Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
547960 | 2lx0 RC | 18655 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 22.169 17.889 0.765
2 H2 LYS 1 HT2 LYS 1 22.008 16.202 0.656
3 H3 LYS 1 HT3 LYS 1 21.091 17.211 -0.357
4 HA LYS 1 HA LYS 1 23.132 17.999 -1.422
5 HB2 LYS 1 HB2 LYS 1 24.515 17.441 0.661
6 HB3 LYS 1 HB1 LYS 1 24.494 15.769 0.098
7 HG2 LYS 1 HG2 LYS 1 26.399 16.435 -0.990
8 HG3 LYS 1 HG1 LYS 1 25.233 16.989 -2.191
9 HD2 LYS 1 HD2 LYS 1 25.187 19.196 -0.849
10 HD3 LYS 1 HD1 LYS 1 26.665 18.608 -0.086
11 HE2 LYS 1 HE2 LYS 1 27.339 18.149 -2.636
12 HE3 LYS 1 HE1 LYS 1 26.200 19.468 -2.905
13 HZ1 LYS 1 HZ1 LYS 1 28.194 19.770 -0.783
14 HZ2 LYS 1 HZ2 LYS 1 27.496 20.947 -1.791
15 HZ3 LYS 1 HZ3 LYS 1 28.714 19.926 -2.390
16 H LYS 2 HN LYS 2 23.085 14.551 -0.486
17 HA LYS 2 HA LYS 2 22.062 13.877 -3.161
18 HB2 LYS 2 HB2 LYS 2 23.780 11.910 -3.044
19 HB3 LYS 2 HB1 LYS 2 24.321 13.497 -3.595
20 HG2 LYS 2 HG2 LYS 2 25.539 13.898 -1.689
21 HG3 LYS 2 HG1 LYS 2 24.429 12.989 -0.663
22 HD2 LYS 2 HD2 LYS 2 25.368 10.915 -1.273
23 HD3 LYS 2 HD1 LYS 2 26.139 11.586 -2.711
24 HE2 LYS 2 HE2 LYS 2 26.884 12.498 0.071
25 HE3 LYS 2 HE1 LYS 2 27.670 11.122 -0.702
26 HZ1 LYS 2 HZ1 LYS 2 27.883 13.953 -1.296
27 HZ2 LYS 2 HZ2 LYS 2 27.792 12.930 -2.650
28 HZ3 LYS 2 HZ3 LYS 2 29.021 12.711 -1.498
29 H HIS 3 HN HIS 3 22.766 12.892 0.150
30 HA HIS 3 HA HIS 3 20.296 11.449 0.349
31 HB2 HIS 3 HB2 HIS 3 21.780 9.823 -0.884
32 HB3 HIS 3 HB1 HIS 3 22.822 9.797 0.539
33 HD2 HIS 3 HD2 HIS 3 21.874 6.995 0.766
34 HE1 HIS 3 HE1 HIS 3 18.143 8.164 2.358
35 HE2 HIS 3 HE2 HIS 3 19.706 6.198 1.982
36 H THR 4 HN THR 4 22.170 9.716 2.291
37 HA THR 4 HA THR 4 22.103 11.698 4.491
38 HB THR 4 HB THR 4 20.399 10.051 4.903
39 HG1 THR 4 HG1 THR 4 21.978 10.613 6.597
40 HG21 THR 4 HG21 THR 4 21.874 7.630 5.134
41 HG22 THR 4 HG22 THR 4 22.244 8.319 3.553
42 HG23 THR 4 HG23 THR 4 20.571 8.001 4.007
43 H ILE 5 HN ILE 5 23.267 8.778 5.527
44 HA ILE 5 HA ILE 5 26.065 9.675 5.220
45 HB ILE 5 HB ILE 5 26.383 8.107 7.247
46 HG12 ILE 5 HG12 ILE 5 23.603 8.720 8.026
47 HG13 ILE 5 HG11 ILE 5 23.752 7.503 6.758
48 HG21 ILE 5 HG21 ILE 5 26.645 10.449 7.557
49 HG22 ILE 5 HG22 ILE 5 25.475 9.956 8.780
50 HG23 ILE 5 HG23 ILE 5 24.925 10.753 7.305
51 HD11 ILE 5 HD11 ILE 5 25.089 6.094 8.109
52 HD12 ILE 5 HD12 ILE 5 23.817 6.663 9.190
53 HD13 ILE 5 HD13 ILE 5 25.425 7.383 9.263
54 H TRP 6 HN TRP 6 23.798 7.162 4.571
55 HA TRP 6 HA TRP 6 25.265 4.864 4.382
56 HB2 TRP 6 HB2 TRP 6 22.883 5.912 3.145
57 HB3 TRP 6 HB1 TRP 6 23.810 4.982 1.969
58 HD1 TRP 6 HD1 TRP 6 22.629 2.716 1.925
59 HE1 TRP 6 HE1 TRP 6 22.019 0.935 3.679
60 HE3 TRP 6 HE3 TRP 6 23.840 5.241 6.185
61 HZ2 TRP 6 HZ2 TRP 6 22.042 0.624 6.516
62 HZ3 TRP 6 HZ3 TRP 6 23.537 4.181 8.405
63 HH2 TRP 6 HH2 TRP 6 22.639 1.875 8.577
64 H GLU 7 HN GLU 7 24.981 7.266 1.751
65 HA GLU 7 HA GLU 7 26.866 6.085 0.045
66 HB2 GLU 7 HB2 GLU 7 25.406 8.583 0.221
67 HB3 GLU 7 HB1 GLU 7 27.035 8.831 -0.409
68 HG2 GLU 7 HG2 GLU 7 25.139 6.708 -1.442
69 HG3 GLU 7 HG1 GLU 7 25.314 8.300 -2.176
70 H VAL 8 HN VAL 8 27.393 7.358 3.067
71 HA VAL 8 HA VAL 8 30.158 8.175 2.441
72 HB VAL 8 HB VAL 8 28.764 8.620 5.075
73 HG11 VAL 8 HG11 VAL 8 30.550 9.985 5.555
74 HG12 VAL 8 HG12 VAL 8 30.779 10.454 3.870
75 HG13 VAL 8 HG13 VAL 8 31.359 8.887 4.436
76 HG21 VAL 8 HG21 VAL 8 28.183 10.872 4.234
77 HG22 VAL 8 HG22 VAL 8 27.378 9.622 3.286
78 HG23 VAL 8 HG23 VAL 8 28.803 10.438 2.642
79 H ILE 9 HN ILE 9 28.204 6.022 4.443
80 HA ILE 9 HA ILE 9 30.666 4.619 5.257
81 HB ILE 9 HB ILE 9 29.761 5.272 7.265
82 HG12 ILE 9 HG12 ILE 9 29.570 2.601 6.812
83 HG13 ILE 9 HG11 ILE 9 29.195 3.355 8.348
84 HG21 ILE 9 HG21 ILE 9 27.890 6.483 6.522
85 HG22 ILE 9 HG22 ILE 9 27.260 5.319 7.679
86 HG23 ILE 9 HG23 ILE 9 27.066 5.037 5.945
87 HD11 ILE 9 HD11 ILE 9 27.439 1.734 7.420
88 HD12 ILE 9 HD12 ILE 9 27.070 2.977 6.232
89 HD13 ILE 9 HD13 ILE 9 26.858 3.312 7.947
90 H ALA 10 HN ALA 10 27.291 4.181 4.248
91 HA ALA 10 HA ALA 10 27.533 1.352 3.885
92 HB1 ALA 10 HB1 ALA 10 25.362 2.536 4.215
93 HB2 ALA 10 HB2 ALA 10 25.377 1.499 2.789
94 HB3 ALA 10 HB3 ALA 10 25.546 3.246 2.611
95 H GLY 11 HN GLY 11 27.016 3.889 1.415
96 HA2 GLY 11 HA2 GLY 11 27.712 2.384 -0.807
97 HA3 GLY 11 HA1 GLY 11 27.922 4.132 -0.696
98 H LEU 12 HN LEU 12 29.617 3.352 1.804
99 HA LEU 12 HA LEU 12 32.121 3.062 0.299
100 HB2 LEU 12 HB2 LEU 12 31.709 5.053 1.856
101 HB3 LEU 12 HB1 LEU 12 31.863 3.901 3.183
102 HG LEU 12 HG LEU 12 34.056 3.216 1.792
103 HD11 LEU 12 HD11 LEU 12 33.592 4.921 0.038
104 HD12 LEU 12 HD12 LEU 12 35.123 5.216 0.861
105 HD13 LEU 12 HD13 LEU 12 33.706 6.184 1.264
106 HD21 LEU 12 HD21 LEU 12 34.007 3.898 4.154
107 HD22 LEU 12 HD22 LEU 12 33.824 5.586 3.678
108 HD23 LEU 12 HD23 LEU 12 35.319 4.724 3.314
109 H VAL 13 HN VAL 13 30.094 1.566 2.705
110 HA VAL 13 HA VAL 13 32.131 -0.551 3.092
111 HB VAL 13 HB VAL 13 29.861 0.235 4.935
112 HG11 VAL 13 HG11 VAL 13 31.997 -1.906 5.064
113 HG12 VAL 13 HG12 VAL 13 30.248 -2.123 5.132
114 HG13 VAL 13 HG13 VAL 13 31.095 -1.365 6.480
115 HG21 VAL 13 HG21 VAL 13 32.065 1.680 4.658
116 HG22 VAL 13 HG22 VAL 13 32.785 0.378 5.604
117 HG23 VAL 13 HG23 VAL 13 31.445 1.311 6.267
118 H ALA 14 HN ALA 14 28.589 -0.070 3.032
119 HA ALA 14 HA ALA 14 27.722 -2.649 2.798
120 HB1 ALA 14 HB1 ALA 14 26.728 -0.277 1.194
121 HB2 ALA 14 HB2 ALA 14 26.191 -0.733 2.811
122 HB3 ALA 14 HB3 ALA 14 25.846 -1.784 1.439
123 H LEU 15 HN LEU 15 28.943 -0.604 0.150
124 HA LEU 15 HA LEU 15 28.661 -2.576 -1.867
125 HB2 LEU 15 HB2 LEU 15 28.960 -0.149 -2.335
126 HB3 LEU 15 HB1 LEU 15 30.618 -0.262 -1.746
127 HG LEU 15 HG LEU 15 31.114 -1.947 -3.503
128 HD11 LEU 15 HD11 LEU 15 28.188 -1.590 -4.003
129 HD12 LEU 15 HD12 LEU 15 29.173 -3.048 -4.106
130 HD13 LEU 15 HD13 LEU 15 29.234 -1.849 -5.399
131 HD21 LEU 15 HD21 LEU 15 31.640 0.329 -4.050
132 HD22 LEU 15 HD22 LEU 15 29.949 0.708 -4.376
133 HD23 LEU 15 HD23 LEU 15 30.842 -0.352 -5.468
134 H LEU 16 HN LEU 16 31.122 -1.866 0.507
135 HA LEU 16 HA LEU 16 32.959 -3.835 -0.635
136 HB2 LEU 16 HB2 LEU 16 33.355 -2.246 1.896
137 HB3 LEU 16 HB1 LEU 16 34.583 -2.992 0.872
138 HG LEU 16 HG LEU 16 32.809 -0.643 0.150
139 HD11 LEU 16 HD11 LEU 16 35.826 -0.768 0.227
140 HD12 LEU 16 HD12 LEU 16 34.883 -0.349 1.658
141 HD13 LEU 16 HD13 LEU 16 34.791 0.660 0.214
142 HD21 LEU 16 HD21 LEU 16 33.037 -1.836 -1.869
143 HD22 LEU 16 HD22 LEU 16 34.669 -2.375 -1.473
144 HD23 LEU 16 HD23 LEU 16 34.380 -0.695 -1.923
145 H THR 17 HN THR 17 30.279 -3.987 1.192
146 HA THR 17 HA THR 17 31.289 -6.261 2.788
147 HB THR 17 HB THR 17 29.407 -4.059 3.514
148 HG1 THR 17 HG1 THR 17 30.631 -4.811 5.569
149 HG21 THR 17 HG21 THR 17 29.266 -6.930 4.419
150 HG22 THR 17 HG22 THR 17 27.948 -5.867 3.926
151 HG23 THR 17 HG23 THR 17 28.751 -5.615 5.475
152 H PHE 18 HN PHE 18 28.204 -4.913 1.601
153 HA PHE 18 HA PHE 18 26.617 -7.109 1.576
154 HB2 PHE 18 HB2 PHE 18 26.231 -4.693 0.621
155 HB3 PHE 18 HB1 PHE 18 26.675 -5.440 -0.914
156 HD1 PHE 18 HD2 PHE 18 24.381 -5.801 2.012
157 HD2 PHE 18 HD1 PHE 18 25.117 -6.754 -2.111
158 HE1 PHE 18 HE2 PHE 18 22.108 -6.776 1.832
159 HE2 PHE 18 HE1 PHE 18 22.844 -7.729 -2.292
160 HZ PHE 18 HZ PHE 18 21.340 -7.740 -0.320
161 H LEU 19 HN LEU 19 28.960 -6.280 -0.981
162 HA LEU 19 HA LEU 19 28.467 -8.641 -2.515
163 HB2 LEU 19 HB2 LEU 19 30.596 -6.520 -2.511
164 HB3 LEU 19 HB1 LEU 19 30.787 -7.961 -3.505
165 HG LEU 19 HG LEU 19 29.695 -6.010 -4.689
166 HD11 LEU 19 HD11 LEU 19 29.039 -8.742 -4.776
167 HD12 LEU 19 HD12 LEU 19 28.681 -7.533 -6.007
168 HD13 LEU 19 HD13 LEU 19 27.489 -7.903 -4.761
169 HD21 LEU 19 HD21 LEU 19 27.512 -5.302 -4.077
170 HD22 LEU 19 HD22 LEU 19 28.404 -5.375 -2.557
171 HD23 LEU 19 HD23 LEU 19 27.287 -6.670 -2.988
172 H ALA 20 HN ALA 20 31.284 -7.684 -0.530
173 HA ALA 20 HA ALA 20 32.792 -9.941 -0.634
174 HB1 ALA 20 HB1 ALA 20 33.314 -9.462 1.849
175 HB2 ALA 20 HB2 ALA 20 32.199 -8.107 1.674
176 HB3 ALA 20 HB3 ALA 20 33.649 -8.189 0.675
177 H PHE 21 HN PHE 21 30.123 -9.435 1.689
178 HA PHE 21 HA PHE 21 30.227 -12.181 2.572
179 HB2 PHE 21 HB2 PHE 21 28.342 -9.892 3.150
180 HB3 PHE 21 HB1 PHE 21 28.146 -11.502 3.843
181 HD1 PHE 21 HD2 PHE 21 30.769 -8.861 3.375
182 HD2 PHE 21 HD1 PHE 21 29.212 -11.995 5.866
183 HE1 PHE 21 HE2 PHE 21 32.453 -8.317 5.112
184 HE2 PHE 21 HE1 PHE 21 30.895 -11.451 7.602
185 HZ PHE 21 HZ PHE 21 32.515 -9.612 7.225
186 H GLY 22 HN GLY 22 28.081 -10.208 0.550
187 HA2 GLY 22 HA2 GLY 22 26.013 -12.012 0.118
188 HA3 GLY 22 HA1 GLY 22 26.546 -10.815 -1.058
189 H PHE 23 HN PHE 23 29.043 -11.661 -1.720
190 HA PHE 23 HA PHE 23 28.629 -13.582 -3.660
191 HB2 PHE 23 HB2 PHE 23 30.916 -12.212 -2.516
192 HB3 PHE 23 HB1 PHE 23 31.318 -13.872 -2.954
193 HD1 PHE 23 HD2 PHE 23 30.186 -14.645 -5.285
194 HD2 PHE 23 HD1 PHE 23 31.164 -10.606 -4.193
195 HE1 PHE 23 HE2 PHE 23 30.244 -14.011 -7.682
196 HE2 PHE 23 HE1 PHE 23 31.222 -9.973 -6.588
197 HZ PHE 23 HZ PHE 23 30.761 -11.675 -8.333
198 H TRP 24 HN TRP 24 28.964 -13.993 -0.290
199 HA TRP 24 HA TRP 24 29.512 -16.869 -0.593
200 HB2 TRP 24 HB2 TRP 24 31.061 -15.865 0.926
201 HB3 TRP 24 HB1 TRP 24 29.768 -15.013 1.772
202 HD1 TRP 24 HD1 TRP 24 30.420 -18.705 0.825
203 HE1 TRP 24 HE1 TRP 24 29.858 -20.172 2.872
204 HE3 TRP 24 HE3 TRP 24 28.992 -15.091 4.115
205 HZ2 TRP 24 HZ2 TRP 24 28.923 -19.845 5.553
206 HZ3 TRP 24 HZ3 TRP 24 28.268 -15.688 6.413
207 HH2 TRP 24 HH2 TRP 24 28.232 -18.060 7.134
208 H LEU 25 HN LEU 25 27.766 -14.968 1.831
209 HA LEU 25 HA LEU 25 25.987 -16.512 2.924
210 HB2 LEU 25 HB2 LEU 25 25.678 -13.802 1.792
211 HB3 LEU 25 HB1 LEU 25 24.180 -14.629 2.222
212 HG LEU 25 HG LEU 25 26.527 -14.566 4.114
213 HD11 LEU 25 HD11 LEU 25 25.543 -12.591 5.182
214 HD12 LEU 25 HD12 LEU 25 24.270 -12.543 3.962
215 HD13 LEU 25 HD13 LEU 25 25.943 -12.225 3.503
216 HD21 LEU 25 HD21 LEU 25 23.762 -14.463 5.118
217 HD22 LEU 25 HD22 LEU 25 25.085 -15.532 5.582
218 HD23 LEU 25 HD23 LEU 25 24.108 -15.905 4.163
219 H PHE 26 HN PHE 26 25.223 -15.257 -0.338
220 HA PHE 26 HA PHE 26 23.030 -17.091 -0.651
221 HB2 PHE 26 HB2 PHE 26 24.384 -15.637 -2.910
222 HB3 PHE 26 HB1 PHE 26 22.683 -16.065 -2.735
223 HD1 PHE 26 HD1 PHE 26 21.755 -15.166 -0.267
224 HD2 PHE 26 HD2 PHE 26 24.770 -13.343 -2.726
225 HE1 PHE 26 HE1 PHE 26 21.302 -12.976 0.801
226 HE2 PHE 26 HE2 PHE 26 24.316 -11.154 -1.658
227 HZ PHE 26 HZ PHE 26 22.586 -10.972 0.107
228 H LYS 27 HN LYS 27 26.030 -16.736 -2.547
229 HA LYS 27 HA LYS 27 25.907 -19.063 -3.989
230 HB2 LYS 27 HB2 LYS 27 28.493 -18.035 -2.820
231 HB3 LYS 27 HB1 LYS 27 28.248 -18.861 -4.358
232 HG2 LYS 27 HG2 LYS 27 27.303 -16.077 -3.614
233 HG3 LYS 27 HG1 LYS 27 28.510 -16.502 -4.826
234 HD2 LYS 27 HD2 LYS 27 26.592 -17.898 -5.905
235 HD3 LYS 27 HD1 LYS 27 25.528 -16.896 -4.915
236 HE2 LYS 27 HE2 LYS 27 27.136 -14.978 -5.962
237 HE3 LYS 27 HE1 LYS 27 27.166 -16.155 -7.276
238 HZ1 LYS 27 HZ1 LYS 27 25.188 -14.339 -6.779
239 HZ2 LYS 27 HZ2 LYS 27 24.544 -15.803 -6.204
240 HZ3 LYS 27 HZ3 LYS 27 25.079 -15.680 -7.813
241 H TYR 28 HN TYR 28 26.111 -18.878 -0.614
242 HA TYR 28 HA TYR 28 27.158 -21.647 -0.451
243 HB2 TYR 28 HB2 TYR 28 28.570 -20.782 1.066
244 HB3 TYR 28 HB1 TYR 28 27.673 -19.271 1.160
245 HD1 TYR 28 HD1 TYR 28 27.346 -22.868 2.162
246 HD2 TYR 28 HD2 TYR 28 26.541 -18.765 3.136
247 HE1 TYR 28 HE1 TYR 28 26.387 -23.573 4.340
248 HE2 TYR 28 HE2 TYR 28 25.582 -19.465 5.311
249 HH TYR 28 HH TYR 28 25.697 -22.846 6.364
250 H LEU 29 HN LEU 29 24.814 -19.429 1.083
251 HA LEU 29 HA LEU 29 23.347 -21.678 2.194
252 HB2 LEU 29 HB2 LEU 29 23.716 -19.171 3.102
253 HB3 LEU 29 HB1 LEU 29 22.185 -18.949 2.256
254 HG LEU 29 HG LEU 29 22.758 -21.049 4.368
255 HD11 LEU 29 HD11 LEU 29 20.958 -19.724 5.591
256 HD12 LEU 29 HD12 LEU 29 21.174 -18.470 4.369
257 HD13 LEU 29 HD13 LEU 29 22.515 -18.913 5.424
258 HD21 LEU 29 HD21 LEU 29 21.164 -22.054 2.977
259 HD22 LEU 29 HD22 LEU 29 20.433 -20.511 2.536
260 HD23 LEU 29 HD23 LEU 29 20.144 -21.199 4.134
261 H GLN 30 HN GLN 30 22.855 -19.188 -0.280
262 HA GLN 30 HA GLN 30 20.226 -20.104 -0.979
263 HB2 GLN 30 HB2 GLN 30 20.897 -17.785 -1.356
264 HB3 GLN 30 HB1 GLN 30 22.159 -18.314 -2.463
265 HG2 GLN 30 HG2 GLN 30 20.701 -18.710 -4.157
266 HG3 GLN 30 HG1 GLN 30 19.462 -19.346 -3.076
267 HE21 GLN 30 HE21 GLN 30 20.892 -16.183 -2.433
268 HE22 GLN 30 HE22 GLN 30 19.522 -15.278 -2.866
269 H LYS 31 HN LYS 31 23.365 -21.210 -1.635
270 HA LYS 31 HA LYS 31 22.394 -22.795 -3.941
271 HB2 LYS 31 HB2 LYS 31 25.004 -21.434 -3.422
272 HB3 LYS 31 HB1 LYS 31 25.017 -22.954 -4.314
273 HG2 LYS 31 HG2 LYS 31 24.837 -21.033 -5.850
274 HG3 LYS 31 HG1 LYS 31 23.389 -22.038 -5.921
275 HD2 LYS 31 HD2 LYS 31 22.066 -20.440 -4.949
276 HD3 LYS 31 HD1 LYS 31 23.369 -19.832 -3.927
277 HE2 LYS 31 HE2 LYS 31 24.396 -18.726 -5.868
278 HE3 LYS 31 HE1 LYS 31 23.123 -19.357 -6.913
279 HZ1 LYS 31 HZ1 LYS 31 22.630 -17.617 -4.560
280 HZ2 LYS 31 HZ2 LYS 31 21.497 -18.107 -5.728
281 HZ3 LYS 31 HZ3 LYS 31 22.754 -17.045 -6.152
282 H LYS 32 HN LYS 32 21.606 -24.147 -2.044
283 HA LYS 32 HA LYS 32 23.562 -26.253 -1.593
284 HB2 LYS 32 HB2 LYS 32 23.181 -26.295 0.850
285 HB3 LYS 32 HB1 LYS 32 23.954 -24.797 0.333
286 HG2 LYS 32 HG2 LYS 32 22.300 -23.754 1.473
287 HG3 LYS 32 HG1 LYS 32 21.270 -24.190 0.108
288 HD2 LYS 32 HD2 LYS 32 20.677 -26.308 1.238
289 HD3 LYS 32 HD1 LYS 32 21.686 -25.852 2.611
290 HE2 LYS 32 HE2 LYS 32 20.067 -24.535 3.460
291 HE3 LYS 32 HE1 LYS 32 19.849 -23.713 1.915
292 HZ1 LYS 32 HZ1 LYS 32 18.607 -26.254 2.802
293 HZ2 LYS 32 HZ2 LYS 32 18.563 -25.712 1.192
294 HZ3 LYS 32 HZ3 LYS 32 17.826 -24.797 2.420
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 20.768 18.017 -3.636
2 H2 LYS 1 HT2 LYS 1 22.404 18.467 -3.586
3 H3 LYS 1 HT3 LYS 1 21.271 19.262 -2.602
4 HA LYS 1 HA LYS 1 22.567 17.712 -1.295
5 HB2 LYS 1 HB2 LYS 1 20.590 16.292 -0.503
6 HB3 LYS 1 HB1 LYS 1 20.336 18.039 -0.504
7 HG2 LYS 1 HG2 LYS 1 19.179 17.900 -2.655
8 HG3 LYS 1 HG1 LYS 1 19.493 16.166 -2.737
9 HD2 LYS 1 HD2 LYS 1 18.129 17.195 -0.290
10 HD3 LYS 1 HD1 LYS 1 17.186 17.132 -1.781
11 HE2 LYS 1 HE2 LYS 1 17.417 14.803 -1.981
12 HE3 LYS 1 HE1 LYS 1 18.821 14.758 -0.913
13 HZ1 LYS 1 HZ1 LYS 1 16.040 15.395 -0.091
14 HZ2 LYS 1 HZ2 LYS 1 17.391 15.359 0.937
15 HZ3 LYS 1 HZ3 LYS 1 16.845 13.931 0.197
16 H LYS 2 HN LYS 2 22.036 15.110 -0.788
17 HA LYS 2 HA LYS 2 22.446 13.602 -3.272
18 HB2 LYS 2 HB2 LYS 2 24.702 13.924 -2.768
19 HB3 LYS 2 HB1 LYS 2 24.424 13.866 -1.027
20 HG2 LYS 2 HG2 LYS 2 24.195 11.528 -1.013
21 HG3 LYS 2 HG1 LYS 2 23.857 11.458 -2.742
22 HD2 LYS 2 HD2 LYS 2 26.146 10.664 -2.237
23 HD3 LYS 2 HD1 LYS 2 26.174 12.116 -3.237
24 HE2 LYS 2 HE2 LYS 2 26.253 12.401 -0.250
25 HE3 LYS 2 HE1 LYS 2 27.727 11.954 -1.111
26 HZ1 LYS 2 HZ1 LYS 2 26.499 14.484 -0.909
27 HZ2 LYS 2 HZ2 LYS 2 26.547 14.017 -2.543
28 HZ3 LYS 2 HZ3 LYS 2 27.979 14.077 -1.630
29 H HIS 3 HN HIS 3 22.777 12.999 0.231
30 HA HIS 3 HA HIS 3 20.352 11.484 0.390
31 HB2 HIS 3 HB2 HIS 3 21.891 9.916 -0.857
32 HB3 HIS 3 HB1 HIS 3 22.913 9.889 0.580
33 HD2 HIS 3 HD2 HIS 3 22.037 7.067 0.767
34 HE1 HIS 3 HE1 HIS 3 18.241 8.115 2.288
35 HE2 HIS 3 HE2 HIS 3 19.866 6.198 1.929
36 H THR 4 HN THR 4 22.243 9.765 2.321
37 HA THR 4 HA THR 4 22.154 11.725 4.542
38 HB THR 4 HB THR 4 20.428 10.093 4.924
39 HG1 THR 4 HG1 THR 4 22.049 10.620 6.624
40 HG21 THR 4 HG21 THR 4 22.262 8.351 3.577
41 HG22 THR 4 HG22 THR 4 20.586 8.042 4.025
42 HG23 THR 4 HG23 THR 4 21.883 7.655 5.152
43 H ILE 5 HN ILE 5 23.277 8.788 5.576
44 HA ILE 5 HA ILE 5 26.086 9.660 5.298
45 HB ILE 5 HB ILE 5 26.376 8.076 7.312
46 HG12 ILE 5 HG12 ILE 5 23.598 8.685 8.085
47 HG13 ILE 5 HG11 ILE 5 23.740 7.495 6.792
48 HG21 ILE 5 HG21 ILE 5 26.647 10.402 7.671
49 HG22 ILE 5 HG22 ILE 5 25.429 9.917 8.851
50 HG23 ILE 5 HG23 ILE 5 24.942 10.731 7.364
51 HD11 ILE 5 HD11 ILE 5 25.398 7.313 9.304
52 HD12 ILE 5 HD12 ILE 5 25.077 6.053 8.114
53 HD13 ILE 5 HD13 ILE 5 23.792 6.592 9.196
54 H TRP 6 HN TRP 6 23.805 7.166 4.617
55 HA TRP 6 HA TRP 6 25.265 4.864 4.406
56 HB2 TRP 6 HB2 TRP 6 22.887 5.935 3.175
57 HB3 TRP 6 HB1 TRP 6 23.811 5.002 1.997
58 HD1 TRP 6 HD1 TRP 6 22.602 2.751 1.941
59 HE1 TRP 6 HE1 TRP 6 21.981 0.964 3.686
60 HE3 TRP 6 HE3 TRP 6 23.849 5.236 6.214
61 HZ2 TRP 6 HZ2 TRP 6 22.010 0.635 6.521
62 HZ3 TRP 6 HZ3 TRP 6 23.543 4.166 8.428
63 HH2 TRP 6 HH2 TRP 6 22.624 1.868 8.588
64 H GLU 7 HN GLU 7 24.973 7.288 1.799
65 HA GLU 7 HA GLU 7 26.857 6.132 0.075
66 HB2 GLU 7 HB2 GLU 7 25.363 8.592 0.261
67 HB3 GLU 7 HB1 GLU 7 27.004 8.909 -0.301
68 HG2 GLU 7 HG2 GLU 7 25.196 6.777 -1.468
69 HG3 GLU 7 HG1 GLU 7 25.385 8.389 -2.152
70 H VAL 8 HN VAL 8 27.398 7.350 3.113
71 HA VAL 8 HA VAL 8 30.161 8.178 2.487
72 HB VAL 8 HB VAL 8 28.776 8.607 5.127
73 HG11 VAL 8 HG11 VAL 8 30.477 10.234 5.468
74 HG12 VAL 8 HG12 VAL 8 30.929 10.228 3.763
75 HG13 VAL 8 HG13 VAL 8 31.307 8.837 4.780
76 HG21 VAL 8 HG21 VAL 8 28.804 10.439 2.704
77 HG22 VAL 8 HG22 VAL 8 28.191 10.865 4.302
78 HG23 VAL 8 HG23 VAL 8 27.381 9.621 3.350
79 H ILE 9 HN ILE 9 28.203 6.023 4.488
80 HA ILE 9 HA ILE 9 30.663 4.604 5.282
81 HB ILE 9 HB ILE 9 29.764 5.245 7.297
82 HG12 ILE 9 HG12 ILE 9 29.566 2.580 6.825
83 HG13 ILE 9 HG11 ILE 9 29.195 3.323 8.367
84 HG21 ILE 9 HG21 ILE 9 27.262 5.295 7.715
85 HG22 ILE 9 HG22 ILE 9 27.067 5.028 5.981
86 HG23 ILE 9 HG23 ILE 9 27.893 6.469 6.568
87 HD11 ILE 9 HD11 ILE 9 26.857 3.288 7.969
88 HD12 ILE 9 HD12 ILE 9 27.433 1.714 7.428
89 HD13 ILE 9 HD13 ILE 9 27.067 2.966 6.251
90 H ALA 10 HN ALA 10 27.284 4.185 4.277
91 HA ALA 10 HA ALA 10 27.520 1.357 3.892
92 HB1 ALA 10 HB1 ALA 10 25.361 1.519 2.799
93 HB2 ALA 10 HB2 ALA 10 25.530 3.267 2.647
94 HB3 ALA 10 HB3 ALA 10 25.350 2.534 4.240
95 H GLY 11 HN GLY 11 27.003 3.917 1.446
96 HA2 GLY 11 HA2 GLY 11 27.689 2.426 -0.791
97 HA3 GLY 11 HA1 GLY 11 27.903 4.174 -0.667
98 H LEU 12 HN LEU 12 29.601 3.366 1.824
99 HA LEU 12 HA LEU 12 32.103 3.090 0.312
100 HB2 LEU 12 HB2 LEU 12 31.708 5.062 1.887
101 HB3 LEU 12 HB1 LEU 12 31.833 3.898 3.206
102 HG LEU 12 HG LEU 12 34.030 3.223 1.757
103 HD11 LEU 12 HD11 LEU 12 33.716 6.229 1.485
104 HD12 LEU 12 HD12 LEU 12 33.625 5.076 0.155
105 HD13 LEU 12 HD13 LEU 12 35.139 5.292 1.032
106 HD21 LEU 12 HD21 LEU 12 33.982 3.684 4.166
107 HD22 LEU 12 HD22 LEU 12 33.808 5.411 3.851
108 HD23 LEU 12 HD23 LEU 12 35.300 4.581 3.416
109 H VAL 13 HN VAL 13 30.077 1.568 2.704
110 HA VAL 13 HA VAL 13 32.114 -0.552 3.073
111 HB VAL 13 HB VAL 13 29.824 0.216 4.898
112 HG11 VAL 13 HG11 VAL 13 30.148 -2.129 5.117
113 HG12 VAL 13 HG12 VAL 13 31.085 -1.417 6.430
114 HG13 VAL 13 HG13 VAL 13 31.899 -1.980 4.972
115 HG21 VAL 13 HG21 VAL 13 31.407 1.245 6.272
116 HG22 VAL 13 HG22 VAL 13 32.040 1.643 4.675
117 HG23 VAL 13 HG23 VAL 13 32.744 0.316 5.598
118 H ALA 14 HN ALA 14 28.572 -0.089 2.977
119 HA ALA 14 HA ALA 14 27.725 -2.670 2.698
120 HB1 ALA 14 HB1 ALA 14 26.757 -0.180 1.284
121 HB2 ALA 14 HB2 ALA 14 26.086 -0.934 2.730
122 HB3 ALA 14 HB3 ALA 14 25.924 -1.730 1.164
123 H LEU 15 HN LEU 15 28.900 -0.568 0.067
124 HA LEU 15 HA LEU 15 28.669 -2.519 -1.968
125 HB2 LEU 15 HB2 LEU 15 28.948 -0.087 -2.406
126 HB3 LEU 15 HB1 LEU 15 30.601 -0.186 -1.802
127 HG LEU 15 HG LEU 15 31.139 -1.839 -3.573
128 HD11 LEU 15 HD11 LEU 15 28.211 -1.525 -4.094
129 HD12 LEU 15 HD12 LEU 15 29.221 -2.966 -4.202
130 HD13 LEU 15 HD13 LEU 15 29.272 -1.755 -5.483
131 HD21 LEU 15 HD21 LEU 15 29.954 0.819 -4.397
132 HD22 LEU 15 HD22 LEU 15 30.814 -0.219 -5.532
133 HD23 LEU 15 HD23 LEU 15 31.651 0.427 -4.121
134 H LEU 16 HN LEU 16 31.087 -1.841 0.450
135 HA LEU 16 HA LEU 16 32.949 -3.784 -0.709
136 HB2 LEU 16 HB2 LEU 16 33.349 -2.191 1.818
137 HB3 LEU 16 HB1 LEU 16 34.575 -2.925 0.782
138 HG LEU 16 HG LEU 16 32.777 -0.587 0.084
139 HD11 LEU 16 HD11 LEU 16 34.885 -0.305 1.561
140 HD12 LEU 16 HD12 LEU 16 34.741 0.731 0.141
141 HD13 LEU 16 HD13 LEU 16 35.794 -0.684 0.097
142 HD21 LEU 16 HD21 LEU 16 34.626 -2.303 -1.568
143 HD22 LEU 16 HD22 LEU 16 34.311 -0.626 -2.014
144 HD23 LEU 16 HD23 LEU 16 32.982 -1.782 -1.938
145 H THR 17 HN THR 17 30.265 -4.004 1.066
146 HA THR 17 HA THR 17 31.299 -6.261 2.670
147 HB THR 17 HB THR 17 29.427 -4.059 3.434
148 HG1 THR 17 HG1 THR 17 31.817 -4.814 4.082
149 HG21 THR 17 HG21 THR 17 28.790 -5.628 5.391
150 HG22 THR 17 HG22 THR 17 29.292 -6.936 4.322
151 HG23 THR 17 HG23 THR 17 27.970 -5.869 3.850
152 H PHE 18 HN PHE 18 28.222 -4.892 1.488
153 HA PHE 18 HA PHE 18 26.598 -7.056 1.476
154 HB2 PHE 18 HB2 PHE 18 26.279 -4.646 0.468
155 HB3 PHE 18 HB1 PHE 18 26.709 -5.443 -1.046
156 HD1 PHE 18 HD2 PHE 18 24.448 -5.802 1.918
157 HD2 PHE 18 HD1 PHE 18 25.069 -6.613 -2.255
158 HE1 PHE 18 HE2 PHE 18 22.150 -6.721 1.753
159 HE2 PHE 18 HE1 PHE 18 22.773 -7.531 -2.419
160 HZ PHE 18 HZ PHE 18 21.312 -7.587 -0.415
161 H LEU 19 HN LEU 19 28.967 -6.309 -1.082
162 HA LEU 19 HA LEU 19 28.460 -8.723 -2.543
163 HB2 LEU 19 HB2 LEU 19 30.578 -6.586 -2.640
164 HB3 LEU 19 HB1 LEU 19 30.749 -8.054 -3.598
165 HG LEU 19 HG LEU 19 29.630 -6.139 -4.812
166 HD11 LEU 19 HD11 LEU 19 28.573 -7.690 -6.064
167 HD12 LEU 19 HD12 LEU 19 27.426 -8.039 -4.773
168 HD13 LEU 19 HD13 LEU 19 28.981 -8.867 -4.819
169 HD21 LEU 19 HD21 LEU 19 28.390 -5.416 -2.696
170 HD22 LEU 19 HD22 LEU 19 27.278 -6.747 -3.014
171 HD23 LEU 19 HD23 LEU 19 27.440 -5.436 -4.182
172 H ALA 20 HN ALA 20 31.162 -7.654 -0.467
173 HA ALA 20 HA ALA 20 32.786 -9.848 -0.540
174 HB1 ALA 20 HB1 ALA 20 32.468 -7.627 1.163
175 HB2 ALA 20 HB2 ALA 20 33.829 -8.748 1.108
176 HB3 ALA 20 HB3 ALA 20 32.487 -9.044 2.212
177 H PHE 21 HN PHE 21 30.052 -9.431 1.726
178 HA PHE 21 HA PHE 21 30.218 -12.190 2.574
179 HB2 PHE 21 HB2 PHE 21 28.276 -9.960 3.192
180 HB3 PHE 21 HB1 PHE 21 28.139 -11.581 3.870
181 HD1 PHE 21 HD2 PHE 21 30.546 -8.739 3.496
182 HD2 PHE 21 HD1 PHE 21 29.356 -12.170 5.790
183 HE1 PHE 21 HE2 PHE 21 32.222 -8.161 5.229
184 HE2 PHE 21 HE1 PHE 21 31.033 -11.592 7.524
185 HZ PHE 21 HZ PHE 21 32.466 -9.587 7.242
186 H GLY 22 HN GLY 22 28.124 -10.230 0.509
187 HA2 GLY 22 HA2 GLY 22 26.038 -12.015 0.059
188 HA3 GLY 22 HA1 GLY 22 26.608 -10.836 -1.118
189 H PHE 23 HN PHE 23 29.135 -11.733 -1.674
190 HA PHE 23 HA PHE 23 28.737 -13.673 -3.613
191 HB2 PHE 23 HB2 PHE 23 31.013 -12.306 -2.439
192 HB3 PHE 23 HB1 PHE 23 31.407 -13.974 -2.851
193 HD1 PHE 23 HD1 PHE 23 30.319 -14.763 -5.195
194 HD2 PHE 23 HD2 PHE 23 31.302 -10.719 -4.128
195 HE1 PHE 23 HE1 PHE 23 30.429 -14.155 -7.597
196 HE2 PHE 23 HE2 PHE 23 31.412 -10.112 -6.528
197 HZ PHE 23 HZ PHE 23 30.974 -11.831 -8.264
198 H TRP 24 HN TRP 24 28.973 -14.031 -0.232
199 HA TRP 24 HA TRP 24 29.517 -16.916 -0.471
200 HB2 TRP 24 HB2 TRP 24 31.025 -15.893 1.077
201 HB3 TRP 24 HB1 TRP 24 29.710 -15.021 1.871
202 HD1 TRP 24 HD1 TRP 24 30.389 -18.727 1.002
203 HE1 TRP 24 HE1 TRP 24 29.748 -20.165 3.048
204 HE3 TRP 24 HE3 TRP 24 28.841 -15.067 4.183
205 HZ2 TRP 24 HZ2 TRP 24 28.714 -19.799 5.685
206 HZ3 TRP 24 HZ3 TRP 24 28.030 -15.631 6.461
207 HH2 TRP 24 HH2 TRP 24 27.967 -17.992 7.214
208 H LEU 25 HN LEU 25 27.712 -14.973 1.877
209 HA LEU 25 HA LEU 25 25.893 -16.493 2.940
210 HB2 LEU 25 HB2 LEU 25 25.612 -13.798 1.750
211 HB3 LEU 25 HB1 LEU 25 24.112 -14.621 2.178
212 HG LEU 25 HG LEU 25 26.421 -14.536 4.110
213 HD11 LEU 25 HD11 LEU 25 25.921 -12.200 3.435
214 HD12 LEU 25 HD12 LEU 25 25.449 -12.511 5.105
215 HD13 LEU 25 HD13 LEU 25 24.224 -12.461 3.838
216 HD21 LEU 25 HD21 LEU 25 24.011 -15.847 4.158
217 HD22 LEU 25 HD22 LEU 25 23.607 -14.351 4.999
218 HD23 LEU 25 HD23 LEU 25 24.912 -15.376 5.598
219 H PHE 26 HN PHE 26 25.238 -15.282 -0.362
220 HA PHE 26 HA PHE 26 23.042 -17.104 -0.715
221 HB2 PHE 26 HB2 PHE 26 24.476 -15.691 -2.951
222 HB3 PHE 26 HB1 PHE 26 22.766 -16.105 -2.824
223 HD1 PHE 26 HD2 PHE 26 21.773 -15.165 -0.393
224 HD2 PHE 26 HD1 PHE 26 24.867 -13.397 -2.794
225 HE1 PHE 26 HE2 PHE 26 21.303 -12.955 0.626
226 HE2 PHE 26 HE1 PHE 26 24.395 -11.190 -1.773
227 HZ PHE 26 HZ PHE 26 22.620 -10.969 -0.061
228 H LYS 27 HN LYS 27 26.104 -16.796 -2.520
229 HA LYS 27 HA LYS 27 26.000 -19.146 -3.933
230 HB2 LYS 27 HB2 LYS 27 28.564 -18.112 -2.724
231 HB3 LYS 27 HB1 LYS 27 28.347 -18.957 -4.255
232 HG2 LYS 27 HG2 LYS 27 27.402 -16.159 -3.569
233 HG3 LYS 27 HG1 LYS 27 28.630 -16.607 -4.750
234 HD2 LYS 27 HD2 LYS 27 26.725 -18.006 -5.847
235 HD3 LYS 27 HD1 LYS 27 25.648 -16.983 -4.894
236 HE2 LYS 27 HE2 LYS 27 27.285 -15.089 -5.932
237 HE3 LYS 27 HE1 LYS 27 27.344 -16.285 -7.228
238 HZ1 LYS 27 HZ1 LYS 27 25.410 -14.459 -6.954
239 HZ2 LYS 27 HZ2 LYS 27 24.709 -15.780 -6.146
240 HZ3 LYS 27 HZ3 LYS 27 25.211 -15.937 -7.761
241 H TYR 28 HN TYR 28 26.075 -18.929 -0.568
242 HA TYR 28 HA TYR 28 27.129 -21.691 -0.334
243 HB2 TYR 28 HB2 TYR 28 28.499 -20.807 1.209
244 HB3 TYR 28 HB1 TYR 28 27.605 -19.292 1.252
245 HD1 TYR 28 HD2 TYR 28 27.239 -22.871 2.306
246 HD2 TYR 28 HD1 TYR 28 26.420 -18.749 3.189
247 HE1 TYR 28 HE2 TYR 28 26.221 -23.535 4.469
248 HE2 TYR 28 HE1 TYR 28 25.401 -19.411 5.348
249 HH TYR 28 HH TYR 28 24.761 -22.742 6.132
250 H LEU 29 HN LEU 29 24.754 -19.444 1.102
251 HA LEU 29 HA LEU 29 23.240 -21.669 2.200
252 HB2 LEU 29 HB2 LEU 29 23.599 -19.148 3.079
253 HB3 LEU 29 HB1 LEU 29 22.090 -18.936 2.193
254 HG LEU 29 HG LEU 29 22.602 -21.006 4.350
255 HD11 LEU 29 HD11 LEU 29 20.769 -19.651 5.500
256 HD12 LEU 29 HD12 LEU 29 21.042 -18.416 4.272
257 HD13 LEU 29 HD13 LEU 29 22.341 -18.862 5.376
258 HD21 LEU 29 HD21 LEU 29 20.331 -20.487 2.447
259 HD22 LEU 29 HD22 LEU 29 19.990 -21.141 4.049
260 HD23 LEU 29 HD23 LEU 29 21.035 -22.027 2.940
261 H GLN 30 HN GLN 30 22.806 -19.176 -0.292
262 HA GLN 30 HA GLN 30 20.204 -20.084 -1.071
263 HB2 GLN 30 HB2 GLN 30 20.909 -17.780 -1.469
264 HB3 GLN 30 HB1 GLN 30 22.206 -18.342 -2.521
265 HG2 GLN 30 HG2 GLN 30 20.806 -18.765 -4.259
266 HG3 GLN 30 HG1 GLN 30 19.519 -19.356 -3.208
267 HE21 GLN 30 HE21 GLN 30 20.961 -16.201 -2.570
268 HE22 GLN 30 HE22 GLN 30 19.624 -15.288 -3.081
269 H LYS 31 HN LYS 31 23.371 -21.192 -1.662
270 HA LYS 31 HA LYS 31 22.449 -22.787 -3.981
271 HB2 LYS 31 HB2 LYS 31 25.067 -21.514 -3.319
272 HB3 LYS 31 HB1 LYS 31 25.081 -23.039 -4.205
273 HG2 LYS 31 HG2 LYS 31 25.039 -21.084 -5.736
274 HG3 LYS 31 HG1 LYS 31 23.597 -22.086 -5.911
275 HD2 LYS 31 HD2 LYS 31 22.215 -20.516 -4.933
276 HD3 LYS 31 HD1 LYS 31 23.504 -19.850 -3.932
277 HE2 LYS 31 HE2 LYS 31 24.520 -18.804 -5.916
278 HE3 LYS 31 HE1 LYS 31 23.248 -19.483 -6.932
279 HZ1 LYS 31 HZ1 LYS 31 22.896 -17.133 -6.211
280 HZ2 LYS 31 HZ2 LYS 31 22.706 -17.705 -4.622
281 HZ3 LYS 31 HZ3 LYS 31 21.622 -18.188 -5.838
282 H LYS 32 HN LYS 32 21.562 -24.425 -2.653
283 HA LYS 32 HA LYS 32 23.607 -26.188 -1.470
284 HB2 LYS 32 HB2 LYS 32 21.672 -24.742 0.009
285 HB3 LYS 32 HB1 LYS 32 21.154 -26.429 -0.001
286 HG2 LYS 32 HG2 LYS 32 23.397 -27.125 0.755
287 HG3 LYS 32 HG1 LYS 32 23.918 -25.441 0.768
288 HD2 LYS 32 HD2 LYS 32 21.455 -26.155 2.306
289 HD3 LYS 32 HD1 LYS 32 23.016 -26.615 2.982
290 HE2 LYS 32 HE2 LYS 32 23.794 -24.303 2.855
291 HE3 LYS 32 HE1 LYS 32 22.291 -23.814 2.076
292 HZ1 LYS 32 HZ1 LYS 32 21.220 -23.774 4.014
293 HZ2 LYS 32 HZ2 LYS 32 22.755 -23.790 4.741
294 HZ3 LYS 32 HZ3 LYS 32 21.893 -25.240 4.537
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 23.255 16.080 1.056
2 H2 LYS 1 HT2 LYS 1 21.679 16.141 0.421
3 H3 LYS 1 HT3 LYS 1 22.367 17.523 1.134
4 HA LYS 1 HA LYS 1 22.630 17.998 -1.082
5 HB2 LYS 1 HB2 LYS 1 24.798 18.111 0.082
6 HB3 LYS 1 HB1 LYS 1 25.098 16.415 -0.300
7 HG2 LYS 1 HG2 LYS 1 25.476 16.840 -2.541
8 HG3 LYS 1 HG1 LYS 1 24.439 18.266 -2.554
9 HD2 LYS 1 HD2 LYS 1 26.825 18.890 -2.751
10 HD3 LYS 1 HD1 LYS 1 26.119 19.516 -1.259
11 HE2 LYS 1 HE2 LYS 1 27.123 17.767 0.047
12 HE3 LYS 1 HE1 LYS 1 27.618 16.889 -1.400
13 HZ1 LYS 1 HZ1 LYS 1 29.338 18.289 -1.778
14 HZ2 LYS 1 HZ2 LYS 1 29.247 18.487 -0.092
15 HZ3 LYS 1 HZ3 LYS 1 28.547 19.640 -1.125
16 H LYS 2 HN LYS 2 23.111 14.578 -0.386
17 HA LYS 2 HA LYS 2 22.117 13.942 -3.080
18 HB2 LYS 2 HB2 LYS 2 23.838 11.986 -2.993
19 HB3 LYS 2 HB1 LYS 2 24.388 13.586 -3.486
20 HG2 LYS 2 HG2 LYS 2 25.578 13.926 -1.552
21 HG3 LYS 2 HG1 LYS 2 24.446 12.995 -0.569
22 HD2 LYS 2 HD2 LYS 2 25.371 10.926 -1.260
23 HD3 LYS 2 HD1 LYS 2 26.219 11.666 -2.618
24 HE2 LYS 2 HE2 LYS 2 26.819 12.256 0.294
25 HE3 LYS 2 HE1 LYS 2 27.736 11.127 -0.701
26 HZ1 LYS 2 HZ1 LYS 2 28.113 13.003 -2.266
27 HZ2 LYS 2 HZ2 LYS 2 28.848 13.205 -0.749
28 HZ3 LYS 2 HZ3 LYS 2 27.419 14.046 -1.122
29 H HIS 3 HN HIS 3 22.788 12.914 0.224
30 HA HIS 3 HA HIS 3 20.323 11.457 0.378
31 HB2 HIS 3 HB2 HIS 3 21.816 9.848 -0.864
32 HB3 HIS 3 HB1 HIS 3 22.857 9.814 0.561
33 HD2 HIS 3 HD2 HIS 3 21.934 7.010 0.784
34 HE1 HIS 3 HE1 HIS 3 18.176 8.134 2.339
35 HE2 HIS 3 HE2 HIS 3 19.761 6.187 1.976
36 H THR 4 HN THR 4 22.209 9.710 2.308
37 HA THR 4 HA THR 4 22.110 11.659 4.536
38 HB THR 4 HB THR 4 20.402 10.003 4.905
39 HG1 THR 4 HG1 THR 4 21.580 10.482 6.735
40 HG21 THR 4 HG21 THR 4 21.900 7.587 5.128
41 HG22 THR 4 HG22 THR 4 22.259 8.294 3.552
42 HG23 THR 4 HG23 THR 4 20.591 7.954 4.008
43 H ILE 5 HN ILE 5 23.266 8.741 5.566
44 HA ILE 5 HA ILE 5 26.066 9.635 5.278
45 HB ILE 5 HB ILE 5 26.373 8.052 7.294
46 HG12 ILE 5 HG12 ILE 5 23.590 8.649 8.067
47 HG13 ILE 5 HG11 ILE 5 23.742 7.452 6.781
48 HG21 ILE 5 HG21 ILE 5 26.674 10.268 7.860
49 HG22 ILE 5 HG22 ILE 5 25.197 9.945 8.768
50 HG23 ILE 5 HG23 ILE 5 25.111 10.757 7.205
51 HD11 ILE 5 HD11 ILE 5 25.083 6.025 8.113
52 HD12 ILE 5 HD12 ILE 5 23.800 6.568 9.195
53 HD13 ILE 5 HD13 ILE 5 25.404 7.295 9.293
54 H TRP 6 HN TRP 6 23.801 7.127 4.603
55 HA TRP 6 HA TRP 6 25.271 4.832 4.399
56 HB2 TRP 6 HB2 TRP 6 22.889 5.886 3.168
57 HB3 TRP 6 HB1 TRP 6 23.819 4.964 1.987
58 HD1 TRP 6 HD1 TRP 6 22.634 2.701 1.925
59 HE1 TRP 6 HE1 TRP 6 22.025 0.906 3.664
60 HE3 TRP 6 HE3 TRP 6 23.848 5.190 6.205
61 HZ2 TRP 6 HZ2 TRP 6 22.051 0.572 6.500
62 HZ3 TRP 6 HZ3 TRP 6 23.546 4.113 8.417
63 HH2 TRP 6 HH2 TRP 6 22.651 1.806 8.571
64 H GLU 7 HN GLU 7 24.984 7.254 1.787
65 HA GLU 7 HA GLU 7 26.868 6.094 0.069
66 HB2 GLU 7 HB2 GLU 7 25.392 8.570 0.259
67 HB3 GLU 7 HB1 GLU 7 27.033 8.862 -0.321
68 HG2 GLU 7 HG2 GLU 7 25.196 6.739 -1.457
69 HG3 GLU 7 HG1 GLU 7 25.378 8.348 -2.149
70 H VAL 8 HN VAL 8 27.392 7.362 3.104
71 HA VAL 8 HA VAL 8 30.162 8.169 2.486
72 HB VAL 8 HB VAL 8 28.767 8.586 5.124
73 HG11 VAL 8 HG11 VAL 8 30.495 10.118 5.539
74 HG12 VAL 8 HG12 VAL 8 30.882 10.291 3.827
75 HG13 VAL 8 HG13 VAL 8 31.327 8.817 4.688
76 HG21 VAL 8 HG21 VAL 8 28.193 10.850 4.304
77 HG22 VAL 8 HG22 VAL 8 27.384 9.611 3.346
78 HG23 VAL 8 HG23 VAL 8 28.812 10.427 2.708
79 H ILE 9 HN ILE 9 28.208 6.003 4.479
80 HA ILE 9 HA ILE 9 30.671 4.591 5.276
81 HB ILE 9 HB ILE 9 29.767 5.225 7.289
82 HG12 ILE 9 HG12 ILE 9 29.576 2.558 6.811
83 HG13 ILE 9 HG11 ILE 9 29.204 3.298 8.355
84 HG21 ILE 9 HG21 ILE 9 27.072 4.999 5.969
85 HG22 ILE 9 HG22 ILE 9 27.892 6.442 6.559
86 HG23 ILE 9 HG23 ILE 9 27.265 5.266 7.704
87 HD11 ILE 9 HD11 ILE 9 27.076 2.939 6.241
88 HD12 ILE 9 HD12 ILE 9 26.866 3.258 7.956
89 HD13 ILE 9 HD13 ILE 9 27.449 1.685 7.417
90 H ALA 10 HN ALA 10 27.294 4.156 4.266
91 HA ALA 10 HA ALA 10 27.543 1.330 3.878
92 HB1 ALA 10 HB1 ALA 10 25.387 1.482 2.784
93 HB2 ALA 10 HB2 ALA 10 25.550 3.229 2.620
94 HB3 ALA 10 HB3 ALA 10 25.369 2.505 4.219
95 H GLY 11 HN GLY 11 27.024 3.887 1.428
96 HA2 GLY 11 HA2 GLY 11 27.722 2.400 -0.806
97 HA3 GLY 11 HA1 GLY 11 27.930 4.148 -0.681
98 H LEU 12 HN LEU 12 29.622 3.345 1.815
99 HA LEU 12 HA LEU 12 32.130 3.073 0.311
100 HB2 LEU 12 HB2 LEU 12 31.718 5.048 1.885
101 HB3 LEU 12 HB1 LEU 12 31.860 3.884 3.202
102 HG LEU 12 HG LEU 12 34.060 3.211 1.803
103 HD11 LEU 12 HD11 LEU 12 33.729 6.196 1.360
104 HD12 LEU 12 HD12 LEU 12 33.608 4.970 0.096
105 HD13 LEU 12 HD13 LEU 12 35.140 5.227 0.930
106 HD21 LEU 12 HD21 LEU 12 33.747 5.474 3.800
107 HD22 LEU 12 HD22 LEU 12 35.302 4.772 3.352
108 HD23 LEU 12 HD23 LEU 12 34.087 3.781 4.159
109 H VAL 13 HN VAL 13 30.103 1.555 2.704
110 HA VAL 13 HA VAL 13 32.139 -0.566 3.072
111 HB VAL 13 HB VAL 13 29.862 0.207 4.913
112 HG11 VAL 13 HG11 VAL 13 31.529 -2.178 4.663
113 HG12 VAL 13 HG12 VAL 13 30.095 -1.913 5.656
114 HG13 VAL 13 HG13 VAL 13 31.681 -1.424 6.251
115 HG21 VAL 13 HG21 VAL 13 32.069 1.647 4.661
116 HG22 VAL 13 HG22 VAL 13 32.785 0.332 5.592
117 HG23 VAL 13 HG23 VAL 13 31.446 1.260 6.266
118 H ALA 14 HN ALA 14 28.596 -0.088 3.019
119 HA ALA 14 HA ALA 14 27.732 -2.663 2.742
120 HB1 ALA 14 HB1 ALA 14 26.160 -0.819 2.804
121 HB2 ALA 14 HB2 ALA 14 25.875 -1.754 1.337
122 HB3 ALA 14 HB3 ALA 14 26.743 -0.221 1.252
123 H LEU 15 HN LEU 15 28.883 -0.556 0.104
124 HA LEU 15 HA LEU 15 28.621 -2.504 -1.931
125 HB2 LEU 15 HB2 LEU 15 28.890 -0.073 -2.375
126 HB3 LEU 15 HB1 LEU 15 30.550 -0.167 -1.791
127 HG LEU 15 HG LEU 15 31.073 -1.819 -3.567
128 HD11 LEU 15 HD11 LEU 15 28.137 -1.517 -4.053
129 HD12 LEU 15 HD12 LEU 15 29.152 -2.955 -4.171
130 HD13 LEU 15 HD13 LEU 15 29.183 -1.746 -5.454
131 HD21 LEU 15 HD21 LEU 15 31.279 0.695 -3.893
132 HD22 LEU 15 HD22 LEU 15 29.738 0.630 -4.750
133 HD23 LEU 15 HD23 LEU 15 31.135 -0.244 -5.380
134 H LEU 16 HN LEU 16 31.076 -1.822 0.449
135 HA LEU 16 HA LEU 16 32.917 -3.769 -0.736
136 HB2 LEU 16 HB2 LEU 16 33.361 -2.170 1.780
137 HB3 LEU 16 HB1 LEU 16 34.569 -2.908 0.726
138 HG LEU 16 HG LEU 16 32.768 -0.566 0.056
139 HD11 LEU 16 HD11 LEU 16 34.922 -0.310 1.488
140 HD12 LEU 16 HD12 LEU 16 34.726 0.748 0.091
141 HD13 LEU 16 HD13 LEU 16 35.781 -0.662 -0.012
142 HD21 LEU 16 HD21 LEU 16 34.575 -2.293 -1.632
143 HD22 LEU 16 HD22 LEU 16 34.256 -0.614 -2.073
144 HD23 LEU 16 HD23 LEU 16 32.925 -1.767 -1.968
145 H THR 17 HN THR 17 30.256 -4.015 1.036
146 HA THR 17 HA THR 17 31.313 -6.253 2.649
147 HB THR 17 HB THR 17 29.455 -4.049 3.431
148 HG1 THR 17 HG1 THR 17 30.732 -4.867 5.453
149 HG21 THR 17 HG21 THR 17 29.319 -6.923 4.326
150 HG22 THR 17 HG22 THR 17 27.995 -5.854 3.862
151 HG23 THR 17 HG23 THR 17 28.830 -5.610 5.396
152 H PHE 18 HN PHE 18 28.221 -4.890 1.504
153 HA PHE 18 HA PHE 18 26.603 -7.060 1.515
154 HB2 PHE 18 HB2 PHE 18 26.260 -4.649 0.518
155 HB3 PHE 18 HB1 PHE 18 26.665 -5.441 -1.005
156 HD1 PHE 18 HD1 PHE 18 24.454 -5.803 1.996
157 HD2 PHE 18 HD2 PHE 18 25.012 -6.621 -2.185
158 HE1 PHE 18 HE1 PHE 18 22.155 -6.727 1.868
159 HE2 PHE 18 HE2 PHE 18 22.714 -7.545 -2.310
160 HZ PHE 18 HZ PHE 18 21.285 -7.597 -0.284
161 H LEU 19 HN LEU 19 28.923 -6.295 -1.085
162 HA LEU 19 HA LEU 19 28.402 -8.710 -2.539
163 HB2 LEU 19 HB2 LEU 19 30.508 -6.565 -2.675
164 HB3 LEU 19 HB1 LEU 19 30.670 -8.032 -3.635
165 HG LEU 19 HG LEU 19 29.520 -6.122 -4.830
166 HD11 LEU 19 HD11 LEU 19 28.881 -8.853 -4.822
167 HD12 LEU 19 HD12 LEU 19 28.447 -7.678 -6.061
168 HD13 LEU 19 HD13 LEU 19 27.325 -8.030 -4.750
169 HD21 LEU 19 HD21 LEU 19 27.339 -5.428 -4.159
170 HD22 LEU 19 HD22 LEU 19 28.318 -5.401 -2.692
171 HD23 LEU 19 HD23 LEU 19 27.206 -6.737 -2.987
172 H ALA 20 HN ALA 20 31.100 -7.635 -0.466
173 HA ALA 20 HA ALA 20 32.744 -9.825 -0.589
174 HB1 ALA 20 HB1 ALA 20 32.486 -9.013 2.168
175 HB2 ALA 20 HB2 ALA 20 32.463 -7.602 1.111
176 HB3 ALA 20 HB3 ALA 20 33.816 -8.731 1.045
177 H PHE 21 HN PHE 21 30.048 -9.413 1.723
178 HA PHE 21 HA PHE 21 30.235 -12.170 2.575
179 HB2 PHE 21 HB2 PHE 21 28.297 -9.939 3.211
180 HB3 PHE 21 HB1 PHE 21 28.164 -11.562 3.890
181 HD1 PHE 21 HD2 PHE 21 30.571 -8.725 3.490
182 HD2 PHE 21 HD1 PHE 21 29.400 -12.153 5.799
183 HE1 PHE 21 HE2 PHE 21 32.270 -8.151 5.204
184 HE2 PHE 21 HE1 PHE 21 31.098 -11.579 7.513
185 HZ PHE 21 HZ PHE 21 32.533 -9.578 7.215
186 H GLY 22 HN GLY 22 28.147 -10.224 0.499
187 HA2 GLY 22 HA2 GLY 22 26.050 -12.012 0.080
188 HA3 GLY 22 HA1 GLY 22 26.606 -10.831 -1.100
189 H PHE 23 HN PHE 23 29.151 -11.736 -1.644
190 HA PHE 23 HA PHE 23 28.730 -13.672 -3.590
191 HB2 PHE 23 HB2 PHE 23 31.013 -12.292 -2.457
192 HB3 PHE 23 HB1 PHE 23 31.410 -13.964 -2.843
193 HD1 PHE 23 HD1 PHE 23 30.298 -14.796 -5.164
194 HD2 PHE 23 HD2 PHE 23 31.294 -10.736 -4.176
195 HE1 PHE 23 HE1 PHE 23 30.385 -14.231 -7.576
196 HE2 PHE 23 HE2 PHE 23 31.381 -10.170 -6.587
197 HZ PHE 23 HZ PHE 23 30.925 -11.919 -8.288
198 H TRP 24 HN TRP 24 28.951 -14.026 -0.221
199 HA TRP 24 HA TRP 24 29.516 -16.908 -0.451
200 HB2 TRP 24 HB2 TRP 24 31.023 -15.876 1.094
201 HB3 TRP 24 HB1 TRP 24 29.706 -15.010 1.890
202 HD1 TRP 24 HD1 TRP 24 30.388 -18.714 1.014
203 HE1 TRP 24 HE1 TRP 24 29.760 -20.154 3.062
204 HE3 TRP 24 HE3 TRP 24 28.854 -15.058 4.208
205 HZ2 TRP 24 HZ2 TRP 24 28.740 -19.793 5.706
206 HZ3 TRP 24 HZ3 TRP 24 28.056 -15.626 6.488
207 HH2 TRP 24 HH2 TRP 24 27.997 -17.987 7.239
208 H LEU 25 HN LEU 25 27.714 -14.967 1.901
209 HA LEU 25 HA LEU 25 25.897 -16.497 2.960
210 HB2 LEU 25 HB2 LEU 25 25.622 -13.792 1.793
211 HB3 LEU 25 HB1 LEU 25 24.117 -14.615 2.213
212 HG LEU 25 HG LEU 25 26.425 -14.555 4.148
213 HD11 LEU 25 HD11 LEU 25 25.454 -12.535 5.159
214 HD12 LEU 25 HD12 LEU 25 24.242 -12.466 3.880
215 HD13 LEU 25 HD13 LEU 25 25.945 -12.212 3.497
216 HD21 LEU 25 HD21 LEU 25 24.909 -15.398 5.628
217 HD22 LEU 25 HD22 LEU 25 24.014 -15.857 4.181
218 HD23 LEU 25 HD23 LEU 25 23.610 -14.366 5.032
219 H PHE 26 HN PHE 26 25.237 -15.261 -0.333
220 HA PHE 26 HA PHE 26 23.042 -17.085 -0.698
221 HB2 PHE 26 HB2 PHE 26 24.471 -15.659 -2.927
222 HB3 PHE 26 HB1 PHE 26 22.762 -16.071 -2.798
223 HD1 PHE 26 HD1 PHE 26 21.790 -15.144 -0.345
224 HD2 PHE 26 HD2 PHE 26 24.853 -13.362 -2.776
225 HE1 PHE 26 HE1 PHE 26 21.325 -12.939 0.683
226 HE2 PHE 26 HE2 PHE 26 24.386 -11.157 -1.746
227 HZ PHE 26 HZ PHE 26 22.627 -10.948 -0.013
228 H LYS 27 HN LYS 27 26.101 -16.761 -2.506
229 HA LYS 27 HA LYS 27 26.011 -19.095 -3.936
230 HB2 LYS 27 HB2 LYS 27 28.563 -18.088 -2.682
231 HB3 LYS 27 HB1 LYS 27 28.364 -18.919 -4.223
232 HG2 LYS 27 HG2 LYS 27 27.420 -16.122 -3.527
233 HG3 LYS 27 HG1 LYS 27 28.670 -16.564 -4.688
234 HD2 LYS 27 HD2 LYS 27 26.799 -17.934 -5.855
235 HD3 LYS 27 HD1 LYS 27 25.689 -16.960 -4.890
236 HE2 LYS 27 HE2 LYS 27 27.818 -15.835 -6.740
237 HE3 LYS 27 HE1 LYS 27 26.103 -15.961 -7.132
238 HZ1 LYS 27 HZ1 LYS 27 26.155 -13.865 -6.301
239 HZ2 LYS 27 HZ2 LYS 27 27.457 -14.175 -5.254
240 HZ3 LYS 27 HZ3 LYS 27 25.894 -14.704 -4.849
241 H TYR 28 HN TYR 28 26.116 -18.889 -0.552
242 HA TYR 28 HA TYR 28 27.132 -21.665 -0.340
243 HB2 TYR 28 HB2 TYR 28 28.501 -20.798 1.214
244 HB3 TYR 28 HB1 TYR 28 27.610 -19.281 1.269
245 HD1 TYR 28 HD1 TYR 28 27.235 -22.870 2.286
246 HD2 TYR 28 HD2 TYR 28 26.418 -18.755 3.206
247 HE1 TYR 28 HE1 TYR 28 26.205 -23.553 4.440
248 HE2 TYR 28 HE2 TYR 28 25.390 -19.435 5.354
249 HH TYR 28 HH TYR 28 25.553 -22.752 6.500
250 H LEU 29 HN LEU 29 24.757 -19.424 1.107
251 HA LEU 29 HA LEU 29 23.241 -21.658 2.186
252 HB2 LEU 29 HB2 LEU 29 23.600 -19.145 3.088
253 HB3 LEU 29 HB1 LEU 29 22.092 -18.923 2.198
254 HG LEU 29 HG LEU 29 22.598 -21.011 4.339
255 HD11 LEU 29 HD11 LEU 29 20.784 -19.673 5.513
256 HD12 LEU 29 HD12 LEU 29 21.012 -18.433 4.279
257 HD13 LEU 29 HD13 LEU 29 22.339 -18.856 5.364
258 HD21 LEU 29 HD21 LEU 29 20.327 -20.476 2.441
259 HD22 LEU 29 HD22 LEU 29 19.991 -21.151 4.035
260 HD23 LEU 29 HD23 LEU 29 21.038 -22.018 2.912
261 H GLN 30 HN GLN 30 22.846 -19.185 -0.321
262 HA GLN 30 HA GLN 30 20.229 -20.084 -1.090
263 HB2 GLN 30 HB2 GLN 30 20.925 -17.772 -1.456
264 HB3 GLN 30 HB1 GLN 30 22.219 -18.314 -2.521
265 HG2 GLN 30 HG2 GLN 30 20.815 -18.713 -4.260
266 HG3 GLN 30 HG1 GLN 30 19.534 -19.326 -3.215
267 HE21 GLN 30 HE21 GLN 30 20.966 -16.177 -2.529
268 HE22 GLN 30 HE22 GLN 30 19.626 -15.260 -3.021
269 H LYS 31 HN LYS 31 23.374 -21.222 -1.648
270 HA LYS 31 HA LYS 31 22.460 -22.799 -3.980
271 HB2 LYS 31 HB2 LYS 31 25.065 -21.469 -3.375
272 HB3 LYS 31 HB1 LYS 31 25.094 -22.994 -4.257
273 HG2 LYS 31 HG2 LYS 31 24.989 -21.078 -5.808
274 HG3 LYS 31 HG1 LYS 31 23.535 -22.069 -5.928
275 HD2 LYS 31 HD2 LYS 31 22.193 -20.456 -5.004
276 HD3 LYS 31 HD1 LYS 31 23.468 -19.851 -3.945
277 HE2 LYS 31 HE2 LYS 31 24.566 -18.773 -5.866
278 HE3 LYS 31 HE1 LYS 31 23.316 -19.397 -6.941
279 HZ1 LYS 31 HZ1 LYS 31 22.662 -17.724 -4.591
280 HZ2 LYS 31 HZ2 LYS 31 21.695 -18.065 -5.946
281 HZ3 LYS 31 HZ3 LYS 31 23.041 -17.038 -6.095
282 H LYS 32 HN LYS 32 21.587 -24.141 -2.118
283 HA LYS 32 HA LYS 32 23.505 -26.265 -1.583
284 HB2 LYS 32 HB2 LYS 32 22.995 -26.310 0.839
285 HB3 LYS 32 HB1 LYS 32 23.815 -24.824 0.364
286 HG2 LYS 32 HG2 LYS 32 22.121 -23.763 1.431
287 HG3 LYS 32 HG1 LYS 32 21.162 -24.162 0.006
288 HD2 LYS 32 HD2 LYS 32 20.674 -26.403 1.173
289 HD3 LYS 32 HD1 LYS 32 21.304 -25.642 2.634
290 HE2 LYS 32 HE2 LYS 32 19.644 -23.851 2.452
291 HE3 LYS 32 HE1 LYS 32 19.041 -24.537 0.943
292 HZ1 LYS 32 HZ1 LYS 32 17.747 -25.890 2.095
293 HZ2 LYS 32 HZ2 LYS 32 18.286 -25.188 3.546
294 HZ3 LYS 32 HZ3 LYS 32 19.086 -26.544 2.906
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 21.540 17.712 -3.980
2 H2 LYS 1 HT2 LYS 1 19.977 17.673 -4.648
3 H3 LYS 1 HT3 LYS 1 21.191 16.651 -5.255
4 HA LYS 1 HA LYS 1 20.722 16.356 -2.427
5 HB2 LYS 1 HB2 LYS 1 18.422 16.843 -3.508
6 HB3 LYS 1 HB1 LYS 1 18.619 15.284 -4.309
7 HG2 LYS 1 HG2 LYS 1 18.892 14.180 -2.130
8 HG3 LYS 1 HG1 LYS 1 18.739 15.735 -1.312
9 HD2 LYS 1 HD2 LYS 1 16.465 15.997 -2.266
10 HD3 LYS 1 HD1 LYS 1 16.616 14.414 -3.029
11 HE2 LYS 1 HE2 LYS 1 15.398 14.140 -0.950
12 HE3 LYS 1 HE1 LYS 1 16.997 13.423 -0.753
13 HZ1 LYS 1 HZ1 LYS 1 15.956 15.162 0.959
14 HZ2 LYS 1 HZ2 LYS 1 16.764 16.239 -0.077
15 HZ3 LYS 1 HZ3 LYS 1 17.625 15.000 0.704
16 H LYS 2 HN LYS 2 22.085 14.735 -2.035
17 HA LYS 2 HA LYS 2 22.624 12.768 -4.161
18 HB2 LYS 2 HB2 LYS 2 24.563 13.983 -3.199
19 HB3 LYS 2 HB1 LYS 2 24.167 13.317 -1.615
20 HG2 LYS 2 HG2 LYS 2 24.227 11.177 -3.530
21 HG3 LYS 2 HG1 LYS 2 25.719 12.107 -3.665
22 HD2 LYS 2 HD2 LYS 2 24.587 11.077 -1.049
23 HD3 LYS 2 HD1 LYS 2 25.858 10.270 -1.967
24 HE2 LYS 2 HE2 LYS 2 26.538 13.047 -1.670
25 HE3 LYS 2 HE1 LYS 2 26.153 12.376 -0.085
26 HZ1 LYS 2 HZ1 LYS 2 27.663 10.479 -1.445
27 HZ2 LYS 2 HZ2 LYS 2 28.118 11.394 -0.088
28 HZ3 LYS 2 HZ3 LYS 2 28.452 11.966 -1.653
29 H HIS 3 HN HIS 3 22.845 12.498 -0.627
30 HA HIS 3 HA HIS 3 20.635 10.737 -0.326
31 HB2 HIS 3 HB2 HIS 3 22.337 9.329 -1.641
32 HB3 HIS 3 HB1 HIS 3 23.297 9.330 -0.163
33 HD2 HIS 3 HD2 HIS 3 22.728 6.583 0.365
34 HE1 HIS 3 HE1 HIS 3 18.586 7.123 0.971
35 HE2 HIS 3 HE2 HIS 3 20.510 5.480 1.189
36 H THR 4 HN THR 4 21.322 9.251 1.822
37 HA THR 4 HA THR 4 21.634 11.250 3.876
38 HB THR 4 HB THR 4 20.070 9.519 4.344
39 HG1 THR 4 HG1 THR 4 22.274 9.841 5.808
40 HG21 THR 4 HG21 THR 4 22.102 7.865 3.049
41 HG22 THR 4 HG22 THR 4 20.369 7.586 3.215
42 HG23 THR 4 HG23 THR 4 21.465 7.124 4.517
43 H ILE 5 HN ILE 5 23.030 8.340 4.831
44 HA ILE 5 HA ILE 5 25.760 9.446 4.559
45 HB ILE 5 HB ILE 5 26.165 8.095 6.723
46 HG12 ILE 5 HG12 ILE 5 23.373 8.615 7.493
47 HG13 ILE 5 HG11 ILE 5 23.549 7.326 6.304
48 HG21 ILE 5 HG21 ILE 5 25.352 10.009 8.098
49 HG22 ILE 5 HG22 ILE 5 24.444 10.591 6.702
50 HG23 ILE 5 HG23 ILE 5 26.205 10.537 6.646
51 HD11 ILE 5 HD11 ILE 5 25.212 7.472 8.824
52 HD12 ILE 5 HD12 ILE 5 25.060 6.113 7.714
53 HD13 ILE 5 HD13 ILE 5 23.694 6.579 8.727
54 H TRP 6 HN TRP 6 23.636 6.718 4.288
55 HA TRP 6 HA TRP 6 25.239 4.519 4.246
56 HB2 TRP 6 HB2 TRP 6 22.771 5.305 2.967
57 HB3 TRP 6 HB1 TRP 6 23.729 4.298 1.881
58 HD1 TRP 6 HD1 TRP 6 22.661 1.987 2.114
59 HE1 TRP 6 HE1 TRP 6 22.180 0.382 4.067
60 HE3 TRP 6 HE3 TRP 6 23.827 5.022 6.042
61 HZ2 TRP 6 HZ2 TRP 6 22.277 0.387 6.919
62 HZ3 TRP 6 HZ3 TRP 6 23.624 4.199 8.371
63 HH2 TRP 6 HH2 TRP 6 22.852 1.885 8.816
64 H GLU 7 HN GLU 7 24.613 6.405 1.283
65 HA GLU 7 HA GLU 7 26.540 5.294 -0.335
66 HB2 GLU 7 HB2 GLU 7 25.152 7.898 -0.209
67 HB3 GLU 7 HB1 GLU 7 26.620 7.853 -1.184
68 HG2 GLU 7 HG2 GLU 7 24.498 5.729 -1.457
69 HG3 GLU 7 HG1 GLU 7 24.389 7.245 -2.348
70 H VAL 8 HN VAL 8 27.059 7.135 2.488
71 HA VAL 8 HA VAL 8 29.778 7.882 1.675
72 HB VAL 8 HB VAL 8 28.525 8.543 4.331
73 HG11 VAL 8 HG11 VAL 8 31.044 8.904 3.392
74 HG12 VAL 8 HG12 VAL 8 30.273 9.995 4.545
75 HG13 VAL 8 HG13 VAL 8 30.284 10.393 2.826
76 HG21 VAL 8 HG21 VAL 8 27.735 10.649 3.299
77 HG22 VAL 8 HG22 VAL 8 26.948 9.255 2.558
78 HG23 VAL 8 HG23 VAL 8 28.266 10.073 1.718
79 H ILE 9 HN ILE 9 28.053 5.918 4.070
80 HA ILE 9 HA ILE 9 30.631 4.728 4.869
81 HB ILE 9 HB ILE 9 29.764 5.557 6.833
82 HG12 ILE 9 HG12 ILE 9 29.772 2.844 6.684
83 HG13 ILE 9 HG11 ILE 9 29.415 3.738 8.147
84 HG21 ILE 9 HG21 ILE 9 27.287 5.458 7.372
85 HG22 ILE 9 HG22 ILE 9 27.040 4.962 5.695
86 HG23 ILE 9 HG23 ILE 9 27.764 6.527 6.059
87 HD11 ILE 9 HD11 ILE 9 27.752 1.895 7.511
88 HD12 ILE 9 HD12 ILE 9 27.226 2.958 6.214
89 HD13 ILE 9 HD13 ILE 9 27.070 3.473 7.888
90 H ALA 10 HN ALA 10 27.248 3.960 4.109
91 HA ALA 10 HA ALA 10 27.660 1.135 4.047
92 HB1 ALA 10 HB1 ALA 10 25.468 1.041 2.987
93 HB2 ALA 10 HB2 ALA 10 25.523 2.775 2.664
94 HB3 ALA 10 HB3 ALA 10 25.431 2.189 4.325
95 H GLY 11 HN GLY 11 26.909 3.323 1.318
96 HA2 GLY 11 HA2 GLY 11 27.629 1.608 -0.735
97 HA3 GLY 11 HA1 GLY 11 27.735 3.365 -0.839
98 H LEU 12 HN LEU 12 29.550 2.997 1.668
99 HA LEU 12 HA LEU 12 32.016 2.679 0.110
100 HB2 LEU 12 HB2 LEU 12 31.553 4.811 1.431
101 HB3 LEU 12 HB1 LEU 12 31.777 3.838 2.886
102 HG LEU 12 HG LEU 12 33.964 3.126 1.371
103 HD11 LEU 12 HD11 LEU 12 33.597 6.120 1.073
104 HD12 LEU 12 HD12 LEU 12 33.320 4.969 -0.235
105 HD13 LEU 12 HD13 LEU 12 34.931 5.143 0.460
106 HD21 LEU 12 HD21 LEU 12 33.952 3.668 3.771
107 HD22 LEU 12 HD22 LEU 12 33.715 5.374 3.398
108 HD23 LEU 12 HD23 LEU 12 35.221 4.574 2.948
109 H VAL 13 HN VAL 13 30.160 1.332 2.725
110 HA VAL 13 HA VAL 13 32.365 -0.551 3.332
111 HB VAL 13 HB VAL 13 29.994 0.280 5.017
112 HG11 VAL 13 HG11 VAL 13 31.997 -1.946 5.266
113 HG12 VAL 13 HG12 VAL 13 30.261 -1.971 5.584
114 HG13 VAL 13 HG13 VAL 13 31.355 -1.179 6.719
115 HG21 VAL 13 HG21 VAL 13 32.928 0.490 5.693
116 HG22 VAL 13 HG22 VAL 13 31.574 1.376 6.390
117 HG23 VAL 13 HG23 VAL 13 32.126 1.754 4.760
118 H ALA 14 HN ALA 14 28.800 -0.434 3.093
119 HA ALA 14 HA ALA 14 28.196 -3.097 3.127
120 HB1 ALA 14 HB1 ALA 14 26.196 -2.195 2.656
121 HB2 ALA 14 HB2 ALA 14 26.695 -2.059 0.970
122 HB3 ALA 14 HB3 ALA 14 26.958 -0.715 2.079
123 H LEU 15 HN LEU 15 29.258 -1.245 0.272
124 HA LEU 15 HA LEU 15 29.291 -3.421 -1.523
125 HB2 LEU 15 HB2 LEU 15 31.069 -0.969 -1.558
126 HB3 LEU 15 HB1 LEU 15 30.679 -2.006 -2.933
127 HG LEU 15 HG LEU 15 28.676 -0.397 -1.330
128 HD11 LEU 15 HD11 LEU 15 28.770 1.241 -2.938
129 HD12 LEU 15 HD12 LEU 15 29.168 0.101 -4.223
130 HD13 LEU 15 HD13 LEU 15 30.422 0.646 -3.108
131 HD21 LEU 15 HD21 LEU 15 27.410 -2.165 -2.148
132 HD22 LEU 15 HD22 LEU 15 28.458 -2.401 -3.549
133 HD23 LEU 15 HD23 LEU 15 27.323 -1.053 -3.515
134 H LEU 16 HN LEU 16 31.526 -2.275 0.877
135 HA LEU 16 HA LEU 16 33.574 -4.204 0.053
136 HB2 LEU 16 HB2 LEU 16 33.733 -2.261 2.349
137 HB3 LEU 16 HB1 LEU 16 35.060 -3.035 1.480
138 HG LEU 16 HG LEU 16 33.143 -0.965 0.379
139 HD11 LEU 16 HD11 LEU 16 35.115 -0.287 1.895
140 HD12 LEU 16 HD12 LEU 16 35.017 0.495 0.318
141 HD13 LEU 16 HD13 LEU 16 36.156 -0.826 0.578
142 HD21 LEU 16 HD21 LEU 16 35.196 -2.743 -0.923
143 HD22 LEU 16 HD22 LEU 16 34.804 -1.169 -1.613
144 HD23 LEU 16 HD23 LEU 16 33.548 -2.395 -1.443
145 H THR 17 HN THR 17 30.830 -4.415 1.697
146 HA THR 17 HA THR 17 31.874 -6.511 3.469
147 HB THR 17 HB THR 17 30.098 -4.221 4.322
148 HG1 THR 17 HG1 THR 17 32.025 -4.895 6.015
149 HG21 THR 17 HG21 THR 17 29.022 -6.092 5.271
150 HG22 THR 17 HG22 THR 17 30.125 -5.557 6.539
151 HG23 THR 17 HG23 THR 17 30.544 -6.944 5.532
152 H PHE 18 HN PHE 18 28.696 -4.968 3.036
153 HA PHE 18 HA PHE 18 27.115 -7.200 3.151
154 HB2 PHE 18 HB2 PHE 18 26.504 -4.682 2.806
155 HB3 PHE 18 HB1 PHE 18 26.507 -5.101 1.095
156 HD1 PHE 18 HD2 PHE 18 25.244 -6.451 4.361
157 HD2 PHE 18 HD1 PHE 18 24.510 -5.888 0.165
158 HE1 PHE 18 HE2 PHE 18 22.997 -7.468 4.616
159 HE2 PHE 18 HE1 PHE 18 22.262 -6.904 0.422
160 HZ PHE 18 HZ PHE 18 21.506 -7.694 2.648
161 H LEU 19 HN LEU 19 28.632 -5.854 0.221
162 HA LEU 19 HA LEU 19 27.706 -7.970 -1.479
163 HB2 LEU 19 HB2 LEU 19 29.670 -5.716 -1.757
164 HB3 LEU 19 HB1 LEU 19 29.598 -6.972 -2.987
165 HG LEU 19 HG LEU 19 28.136 -4.956 -3.449
166 HD11 LEU 19 HD11 LEU 19 27.575 -7.697 -3.794
167 HD12 LEU 19 HD12 LEU 19 26.854 -6.349 -4.670
168 HD13 LEU 19 HD13 LEU 19 26.071 -6.979 -3.222
169 HD21 LEU 19 HD21 LEU 19 26.359 -6.072 -1.278
170 HD22 LEU 19 HD22 LEU 19 26.219 -4.531 -2.123
171 HD23 LEU 19 HD23 LEU 19 27.515 -4.783 -0.959
172 H ALA 20 HN ALA 20 30.891 -7.153 -0.097
173 HA ALA 20 HA ALA 20 32.445 -9.165 -1.081
174 HB1 ALA 20 HB1 ALA 20 33.176 -9.098 1.605
175 HB2 ALA 20 HB2 ALA 20 32.463 -7.512 1.314
176 HB3 ALA 20 HB3 ALA 20 33.813 -8.066 0.324
177 H PHE 21 HN PHE 21 30.484 -9.418 1.896
178 HA PHE 21 HA PHE 21 30.909 -12.278 2.025
179 HB2 PHE 21 HB2 PHE 21 29.258 -10.364 3.680
180 HB3 PHE 21 HB1 PHE 21 29.329 -12.100 3.986
181 HD1 PHE 21 HD1 PHE 21 31.595 -9.163 3.425
182 HD2 PHE 21 HD2 PHE 21 31.003 -12.935 5.393
183 HE1 PHE 21 HE1 PHE 21 33.729 -8.858 4.650
184 HE2 PHE 21 HE2 PHE 21 33.135 -12.630 6.619
185 HZ PHE 21 HZ PHE 21 34.498 -10.592 6.247
186 H GLY 22 HN GLY 22 28.305 -10.062 1.140
187 HA2 GLY 22 HA2 GLY 22 26.166 -11.835 0.961
188 HA3 GLY 22 HA1 GLY 22 26.365 -10.409 -0.054
189 H PHE 23 HN PHE 23 28.608 -11.033 -1.500
190 HA PHE 23 HA PHE 23 27.633 -12.550 -3.606
191 HB2 PHE 23 HB2 PHE 23 30.167 -11.329 -2.882
192 HB3 PHE 23 HB1 PHE 23 30.405 -12.850 -3.743
193 HD1 PHE 23 HD1 PHE 23 28.659 -13.189 -5.778
194 HD2 PHE 23 HD2 PHE 23 29.956 -9.410 -4.196
195 HE1 PHE 23 HE1 PHE 23 28.055 -12.084 -7.915
196 HE2 PHE 23 HE2 PHE 23 29.352 -8.308 -6.331
197 HZ PHE 23 HZ PHE 23 28.401 -9.645 -8.191
198 H TRP 24 HN TRP 24 28.859 -13.582 -0.600
199 HA TRP 24 HA TRP 24 29.288 -16.319 -1.598
200 HB2 TRP 24 HB2 TRP 24 31.194 -15.551 -0.376
201 HB3 TRP 24 HB1 TRP 24 30.182 -14.940 0.934
202 HD1 TRP 24 HD1 TRP 24 30.539 -18.342 -0.869
203 HE1 TRP 24 HE1 TRP 24 30.532 -20.205 0.919
204 HE3 TRP 24 HE3 TRP 24 30.050 -15.511 3.334
205 HZ2 TRP 24 HZ2 TRP 24 30.342 -20.451 3.758
206 HZ3 TRP 24 HZ3 TRP 24 29.957 -16.578 5.574
207 HH2 TRP 24 HH2 TRP 24 30.102 -19.043 5.789
208 H LEU 25 HN LEU 25 28.280 -15.011 1.536
209 HA LEU 25 HA LEU 25 26.850 -16.821 2.731
210 HB2 LEU 25 HB2 LEU 25 26.249 -13.958 2.288
211 HB3 LEU 25 HB1 LEU 25 24.938 -14.936 2.951
212 HG LEU 25 HG LEU 25 27.721 -15.129 4.090
213 HD11 LEU 25 HD11 LEU 25 27.073 -12.734 4.111
214 HD12 LEU 25 HD12 LEU 25 27.110 -13.411 5.738
215 HD13 LEU 25 HD13 LEU 25 25.567 -13.159 4.923
216 HD21 LEU 25 HD21 LEU 25 25.300 -15.283 5.782
217 HD22 LEU 25 HD22 LEU 25 26.714 -16.337 5.742
218 HD23 LEU 25 HD23 LEU 25 25.424 -16.551 4.560
219 H PHE 26 HN PHE 26 25.252 -14.988 0.107
220 HA PHE 26 HA PHE 26 23.035 -16.818 0.029
221 HB2 PHE 26 HB2 PHE 26 23.746 -14.891 -2.169
222 HB3 PHE 26 HB1 PHE 26 22.150 -15.418 -1.637
223 HD1 PHE 26 HD1 PHE 26 21.947 -15.063 1.126
224 HD2 PHE 26 HD2 PHE 26 24.179 -12.659 -1.648
225 HE1 PHE 26 HE1 PHE 26 21.825 -13.145 2.690
226 HE2 PHE 26 HE2 PHE 26 24.056 -10.741 -0.083
227 HZ PHE 26 HZ PHE 26 22.885 -10.986 2.086
228 H LYS 27 HN LYS 27 25.412 -15.965 -2.489
229 HA LYS 27 HA LYS 27 24.878 -17.971 -4.279
230 HB2 LYS 27 HB2 LYS 27 27.695 -17.074 -3.674
231 HB3 LYS 27 HB1 LYS 27 27.026 -17.592 -5.222
232 HG2 LYS 27 HG2 LYS 27 26.356 -15.053 -3.703
233 HG3 LYS 27 HG1 LYS 27 27.174 -15.179 -5.259
234 HD2 LYS 27 HD2 LYS 27 25.017 -16.415 -6.030
235 HD3 LYS 27 HD1 LYS 27 24.281 -15.680 -4.605
236 HE2 LYS 27 HE2 LYS 27 25.552 -13.522 -5.637
237 HE3 LYS 27 HE1 LYS 27 25.212 -14.412 -7.121
238 HZ1 LYS 27 HZ1 LYS 27 23.039 -14.249 -5.201
239 HZ2 LYS 27 HZ2 LYS 27 23.005 -14.128 -6.895
240 HZ3 LYS 27 HZ3 LYS 27 23.465 -12.790 -5.954
241 H TYR 28 HN TYR 28 25.983 -18.442 -1.118
242 HA TYR 28 HA TYR 28 27.020 -21.135 -1.801
243 HB2 TYR 28 HB2 TYR 28 28.795 -20.513 -0.574
244 HB3 TYR 28 HB1 TYR 28 27.965 -19.096 0.059
245 HD1 TYR 28 HD1 TYR 28 27.899 -22.834 0.364
246 HD2 TYR 28 HD2 TYR 28 27.421 -19.044 2.327
247 HE1 TYR 28 HE1 TYR 28 27.569 -23.997 2.531
248 HE2 TYR 28 HE2 TYR 28 27.089 -20.203 4.491
249 HH TYR 28 HH TYR 28 26.743 -23.683 4.675
250 H LEU 29 HN LEU 29 25.199 -19.375 0.719
251 HA LEU 29 HA LEU 29 24.065 -21.865 1.700
252 HB2 LEU 29 HB2 LEU 29 24.692 -19.570 2.963
253 HB3 LEU 29 HB1 LEU 29 22.990 -19.260 2.626
254 HG LEU 29 HG LEU 29 24.102 -21.706 4.033
255 HD11 LEU 29 HD11 LEU 29 22.612 -19.250 4.980
256 HD12 LEU 29 HD12 LEU 29 24.177 -19.846 5.533
257 HD13 LEU 29 HD13 LEU 29 22.704 -20.730 5.934
258 HD21 LEU 29 HD21 LEU 29 21.371 -20.930 3.041
259 HD22 LEU 29 HD22 LEU 29 21.521 -21.927 4.487
260 HD23 LEU 29 HD23 LEU 29 22.181 -22.494 2.952
261 H GLN 30 HN GLN 30 22.943 -18.953 0.017
262 HA GLN 30 HA GLN 30 20.214 -19.830 -0.128
263 HB2 GLN 30 HB2 GLN 30 20.784 -17.454 -0.194
264 HB3 GLN 30 HB1 GLN 30 21.692 -17.698 -1.683
265 HG2 GLN 30 HG2 GLN 30 19.826 -17.816 -2.969
266 HG3 GLN 30 HG1 GLN 30 18.919 -18.707 -1.747
267 HE21 GLN 30 HE21 GLN 30 20.504 -15.672 -0.884
268 HE22 GLN 30 HE22 GLN 30 19.078 -14.763 -0.742
269 H LYS 31 HN LYS 31 23.048 -20.636 -1.815
270 HA LYS 31 HA LYS 31 21.470 -21.776 -4.046
271 HB2 LYS 31 HB2 LYS 31 24.136 -20.429 -3.979
272 HB3 LYS 31 HB1 LYS 31 23.894 -21.742 -5.131
273 HG2 LYS 31 HG2 LYS 31 23.321 -19.564 -6.139
274 HG3 LYS 31 HG1 LYS 31 21.901 -20.601 -6.026
275 HD2 LYS 31 HD2 LYS 31 20.903 -19.297 -4.429
276 HD3 LYS 31 HD1 LYS 31 22.439 -18.834 -3.694
277 HE2 LYS 31 HE2 LYS 31 22.900 -17.322 -5.574
278 HE3 LYS 31 HE1 LYS 31 21.389 -17.802 -6.345
279 HZ1 LYS 31 HZ1 LYS 31 20.153 -16.892 -4.539
280 HZ2 LYS 31 HZ2 LYS 31 21.243 -15.704 -5.070
281 HZ3 LYS 31 HZ3 LYS 31 21.561 -16.577 -3.648
282 H LYS 32 HN LYS 32 21.215 -23.507 -2.308
283 HA LYS 32 HA LYS 32 23.188 -25.576 -2.844
284 HB2 LYS 32 HB2 LYS 32 23.517 -26.110 -0.457
285 HB3 LYS 32 HB1 LYS 32 24.124 -24.502 -0.854
286 HG2 LYS 32 HG2 LYS 32 22.867 -23.787 0.890
287 HG3 LYS 32 HG1 LYS 32 21.491 -23.997 -0.194
288 HD2 LYS 32 HD2 LYS 32 21.414 -26.427 0.593
289 HD3 LYS 32 HD1 LYS 32 22.549 -25.952 1.858
290 HE2 LYS 32 HE2 LYS 32 20.608 -23.976 1.985
291 HE3 LYS 32 HE1 LYS 32 19.674 -25.435 1.651
292 HZ1 LYS 32 HZ1 LYS 32 21.371 -24.799 3.956
293 HZ2 LYS 32 HZ2 LYS 32 21.219 -26.424 3.481
294 HZ3 LYS 32 HZ3 LYS 32 19.840 -25.530 3.912
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 23.738 16.680 0.905
2 H2 LYS 1 HT2 LYS 1 23.808 17.072 -0.746
3 H3 LYS 1 HT3 LYS 1 23.925 15.452 -0.249
4 HA LYS 1 HA LYS 1 21.582 16.149 0.845
5 HB2 LYS 1 HB2 LYS 1 22.163 18.256 -0.854
6 HB3 LYS 1 HB1 LYS 1 21.134 17.221 -1.849
7 HG2 LYS 1 HG2 LYS 1 19.545 17.112 0.146
8 HG3 LYS 1 HG1 LYS 1 20.496 18.417 0.855
9 HD2 LYS 1 HD2 LYS 1 20.040 19.848 -1.069
10 HD3 LYS 1 HD1 LYS 1 19.176 18.537 -1.872
11 HE2 LYS 1 HE2 LYS 1 18.159 19.004 0.819
12 HE3 LYS 1 HE1 LYS 1 18.053 20.454 -0.179
13 HZ1 LYS 1 HZ1 LYS 1 17.081 18.932 -1.933
14 HZ2 LYS 1 HZ2 LYS 1 16.095 19.277 -0.593
15 HZ3 LYS 1 HZ3 LYS 1 16.896 17.782 -0.699
16 H LYS 2 HN LYS 2 23.581 14.729 -1.436
17 HA LYS 2 HA LYS 2 21.993 13.430 -3.261
18 HB2 LYS 2 HB2 LYS 2 23.684 11.436 -2.734
19 HB3 LYS 2 HB1 LYS 2 24.206 12.900 -3.567
20 HG2 LYS 2 HG2 LYS 2 25.285 13.750 -1.692
21 HG3 LYS 2 HG1 LYS 2 24.273 12.838 -0.570
22 HD2 LYS 2 HD2 LYS 2 25.377 10.745 -1.262
23 HD3 LYS 2 HD1 LYS 2 26.388 11.650 -2.389
24 HE2 LYS 2 HE2 LYS 2 27.040 13.058 -0.285
25 HE3 LYS 2 HE1 LYS 2 26.435 11.670 0.619
26 HZ1 LYS 2 HZ1 LYS 2 28.857 11.612 0.079
27 HZ2 LYS 2 HZ2 LYS 2 28.435 11.447 -1.558
28 HZ3 LYS 2 HZ3 LYS 2 27.984 10.252 -0.437
29 H HIS 3 HN HIS 3 22.639 12.434 0.092
30 HA HIS 3 HA HIS 3 20.051 11.179 0.291
31 HB2 HIS 3 HB2 HIS 3 21.396 9.434 -0.889
32 HB3 HIS 3 HB1 HIS 3 22.502 9.412 0.485
33 HD2 HIS 3 HD2 HIS 3 21.492 6.679 0.923
34 HE1 HIS 3 HE1 HIS 3 17.827 8.026 2.524
35 HE2 HIS 3 HE2 HIS 3 19.334 6.005 2.229
36 H THR 4 HN THR 4 21.983 9.424 2.251
37 HA THR 4 HA THR 4 21.849 11.408 4.446
38 HB THR 4 HB THR 4 20.187 9.717 4.856
39 HG1 THR 4 HG1 THR 4 21.575 8.525 6.612
40 HG21 THR 4 HG21 THR 4 20.420 7.656 4.000
41 HG22 THR 4 HG22 THR 4 21.749 7.345 5.113
42 HG23 THR 4 HG23 THR 4 22.074 8.032 3.520
43 H ILE 5 HN ILE 5 23.086 8.534 5.513
44 HA ILE 5 HA ILE 5 25.857 9.516 5.234
45 HB ILE 5 HB ILE 5 26.201 7.939 7.246
46 HG12 ILE 5 HG12 ILE 5 23.387 8.443 7.985
47 HG13 ILE 5 HG11 ILE 5 23.605 7.240 6.712
48 HG21 ILE 5 HG21 ILE 5 24.911 10.614 7.116
49 HG22 ILE 5 HG22 ILE 5 26.425 10.130 7.881
50 HG23 ILE 5 HG23 ILE 5 24.888 9.807 8.685
51 HD11 ILE 5 HD11 ILE 5 23.659 6.393 9.144
52 HD12 ILE 5 HD12 ILE 5 25.241 7.168 9.242
53 HD13 ILE 5 HD13 ILE 5 24.966 5.873 8.079
54 H TRP 6 HN TRP 6 23.692 6.927 4.525
55 HA TRP 6 HA TRP 6 25.233 4.684 4.337
56 HB2 TRP 6 HB2 TRP 6 22.861 5.684 3.038
57 HB3 TRP 6 HB1 TRP 6 23.850 4.794 1.883
58 HD1 TRP 6 HD1 TRP 6 22.714 2.508 1.774
59 HE1 TRP 6 HE1 TRP 6 22.108 0.682 3.485
60 HE3 TRP 6 HE3 TRP 6 23.765 4.989 6.103
61 HZ2 TRP 6 HZ2 TRP 6 22.075 0.324 6.316
62 HZ3 TRP 6 HZ3 TRP 6 23.439 3.885 8.297
63 HH2 TRP 6 HH2 TRP 6 22.595 1.556 8.410
64 H GLU 7 HN GLU 7 24.842 6.895 1.563
65 HA GLU 7 HA GLU 7 26.861 5.885 -0.024
66 HB2 GLU 7 HB2 GLU 7 25.628 8.588 0.280
67 HB3 GLU 7 HB1 GLU 7 27.029 8.400 -0.773
68 HG2 GLU 7 HG2 GLU 7 24.831 8.109 -1.955
69 HG3 GLU 7 HG1 GLU 7 25.895 6.710 -2.081
70 H VAL 8 HN VAL 8 27.239 7.301 3.016
71 HA VAL 8 HA VAL 8 30.000 8.149 2.446
72 HB VAL 8 HB VAL 8 28.593 8.552 5.074
73 HG11 VAL 8 HG11 VAL 8 31.153 8.950 4.429
74 HG12 VAL 8 HG12 VAL 8 30.289 10.055 5.497
75 HG13 VAL 8 HG13 VAL 8 30.498 10.461 3.794
76 HG21 VAL 8 HG21 VAL 8 28.499 10.353 2.628
77 HG22 VAL 8 HG22 VAL 8 27.860 10.753 4.223
78 HG23 VAL 8 HG23 VAL 8 27.128 9.454 3.282
79 H ILE 9 HN ILE 9 28.105 5.911 4.413
80 HA ILE 9 HA ILE 9 30.614 4.611 5.258
81 HB ILE 9 HB ILE 9 29.671 5.223 7.260
82 HG12 ILE 9 HG12 ILE 9 29.585 2.551 6.804
83 HG13 ILE 9 HG11 ILE 9 29.154 3.285 8.334
84 HG21 ILE 9 HG21 ILE 9 27.763 6.370 6.515
85 HG22 ILE 9 HG22 ILE 9 27.163 5.172 7.651
86 HG23 ILE 9 HG23 ILE 9 26.999 4.901 5.914
87 HD11 ILE 9 HD11 ILE 9 27.082 2.839 6.182
88 HD12 ILE 9 HD12 ILE 9 26.828 3.148 7.894
89 HD13 ILE 9 HD13 ILE 9 27.480 1.600 7.365
90 H ALA 10 HN ALA 10 27.280 4.063 4.192
91 HA ALA 10 HA ALA 10 27.592 1.240 3.849
92 HB1 ALA 10 HB1 ALA 10 25.611 3.107 2.523
93 HB2 ALA 10 HB2 ALA 10 25.389 2.360 4.106
94 HB3 ALA 10 HB3 ALA 10 25.472 1.354 2.661
95 H GLY 11 HN GLY 11 27.073 3.735 1.339
96 HA2 GLY 11 HA2 GLY 11 27.880 2.237 -0.847
97 HA3 GLY 11 HA1 GLY 11 28.037 3.992 -0.745
98 H LEU 12 HN LEU 12 29.681 3.308 1.805
99 HA LEU 12 HA LEU 12 32.235 3.084 0.382
100 HB2 LEU 12 HB2 LEU 12 31.718 5.051 1.937
101 HB3 LEU 12 HB1 LEU 12 31.859 3.893 3.261
102 HG LEU 12 HG LEU 12 34.116 3.291 1.910
103 HD11 LEU 12 HD11 LEU 12 33.415 5.252 0.324
104 HD12 LEU 12 HD12 LEU 12 35.097 5.135 0.846
105 HD13 LEU 12 HD13 LEU 12 34.009 6.285 1.625
106 HD21 LEU 12 HD21 LEU 12 34.027 3.848 4.282
107 HD22 LEU 12 HD22 LEU 12 33.715 5.543 3.906
108 HD23 LEU 12 HD23 LEU 12 35.279 4.825 3.518
109 H VAL 13 HN VAL 13 30.180 1.522 2.717
110 HA VAL 13 HA VAL 13 32.247 -0.558 3.134
111 HB VAL 13 HB VAL 13 29.952 0.191 4.962
112 HG11 VAL 13 HG11 VAL 13 31.843 -1.378 6.302
113 HG12 VAL 13 HG12 VAL 13 31.646 -2.163 4.736
114 HG13 VAL 13 HG13 VAL 13 30.243 -1.893 5.769
115 HG21 VAL 13 HG21 VAL 13 32.869 0.405 5.645
116 HG22 VAL 13 HG22 VAL 13 31.503 1.299 6.310
117 HG23 VAL 13 HG23 VAL 13 32.116 1.692 4.704
118 H ALA 14 HN ALA 14 28.693 -0.157 3.125
119 HA ALA 14 HA ALA 14 27.898 -2.754 2.848
120 HB1 ALA 14 HB1 ALA 14 26.298 -0.915 2.951
121 HB2 ALA 14 HB2 ALA 14 25.971 -1.909 1.530
122 HB3 ALA 14 HB3 ALA 14 26.799 -0.360 1.354
123 H LEU 15 HN LEU 15 29.107 -0.629 0.269
124 HA LEU 15 HA LEU 15 28.790 -2.551 -1.809
125 HB2 LEU 15 HB2 LEU 15 29.035 -0.099 -2.208
126 HB3 LEU 15 HB1 LEU 15 30.711 -0.210 -1.678
127 HG LEU 15 HG LEU 15 31.158 -1.853 -3.491
128 HD11 LEU 15 HD11 LEU 15 28.219 -1.483 -3.895
129 HD12 LEU 15 HD12 LEU 15 29.205 -2.933 -4.084
130 HD13 LEU 15 HD13 LEU 15 29.222 -1.687 -5.332
131 HD21 LEU 15 HD21 LEU 15 31.800 0.213 -4.266
132 HD22 LEU 15 HD22 LEU 15 30.215 0.930 -3.974
133 HD23 LEU 15 HD23 LEU 15 30.478 -0.078 -5.398
134 H LEU 16 HN LEU 16 31.293 -1.820 0.519
135 HA LEU 16 HA LEU 16 33.152 -3.723 -0.691
136 HB2 LEU 16 HB2 LEU 16 33.534 -2.199 1.884
137 HB3 LEU 16 HB1 LEU 16 34.771 -2.894 0.833
138 HG LEU 16 HG LEU 16 32.949 -0.559 0.186
139 HD11 LEU 16 HD11 LEU 16 35.968 -0.628 0.234
140 HD12 LEU 16 HD12 LEU 16 35.033 -0.275 1.687
141 HD13 LEU 16 HD13 LEU 16 34.905 0.778 0.278
142 HD21 LEU 16 HD21 LEU 16 34.814 -2.222 -1.496
143 HD22 LEU 16 HD22 LEU 16 34.520 -0.529 -1.896
144 HD23 LEU 16 HD23 LEU 16 33.180 -1.677 -1.870
145 H THR 17 HN THR 17 30.502 -3.958 1.178
146 HA THR 17 HA THR 17 31.554 -6.269 2.691
147 HB THR 17 HB THR 17 29.684 -4.087 3.488
148 HG1 THR 17 HG1 THR 17 31.787 -4.152 4.283
149 HG21 THR 17 HG21 THR 17 28.175 -5.886 3.796
150 HG22 THR 17 HG22 THR 17 28.940 -5.683 5.371
151 HG23 THR 17 HG23 THR 17 29.459 -6.984 4.302
152 H PHE 18 HN PHE 18 28.420 -4.950 1.603
153 HA PHE 18 HA PHE 18 26.930 -7.228 1.487
154 HB2 PHE 18 HB2 PHE 18 26.359 -4.780 0.784
155 HB3 PHE 18 HB1 PHE 18 26.815 -5.324 -0.831
156 HD1 PHE 18 HD2 PHE 18 24.492 -5.885 2.003
157 HD2 PHE 18 HD1 PHE 18 25.447 -6.872 -2.067
158 HE1 PHE 18 HE2 PHE 18 22.285 -6.984 1.753
159 HE2 PHE 18 HE1 PHE 18 23.239 -7.971 -2.318
160 HZ PHE 18 HZ PHE 18 21.657 -8.029 -0.408
161 H LEU 19 HN LEU 19 29.269 -6.124 -0.946
162 HA LEU 19 HA LEU 19 28.764 -8.317 -2.734
163 HB2 LEU 19 HB2 LEU 19 30.867 -6.169 -2.564
164 HB3 LEU 19 HB1 LEU 19 31.005 -7.477 -3.734
165 HG LEU 19 HG LEU 19 29.866 -5.413 -4.629
166 HD11 LEU 19 HD11 LEU 19 29.202 -8.095 -5.021
167 HD12 LEU 19 HD12 LEU 19 28.711 -6.746 -6.042
168 HD13 LEU 19 HD13 LEU 19 27.647 -7.309 -4.755
169 HD21 LEU 19 HD21 LEU 19 28.702 -5.009 -2.372
170 HD22 LEU 19 HD22 LEU 19 27.546 -6.239 -2.882
171 HD23 LEU 19 HD23 LEU 19 27.729 -4.760 -3.821
172 H ALA 20 HN ALA 20 30.690 -7.873 0.085
173 HA ALA 20 HA ALA 20 32.500 -10.069 -0.552
174 HB1 ALA 20 HB1 ALA 20 32.562 -7.838 1.199
175 HB2 ALA 20 HB2 ALA 20 33.820 -9.047 0.942
176 HB3 ALA 20 HB3 ALA 20 32.613 -9.286 2.204
177 H PHE 21 HN PHE 21 29.933 -9.356 1.803
178 HA PHE 21 HA PHE 21 29.935 -12.068 2.811
179 HB2 PHE 21 HB2 PHE 21 28.197 -9.656 3.344
180 HB3 PHE 21 HB1 PHE 21 27.922 -11.225 4.101
181 HD1 PHE 21 HD1 PHE 21 30.699 -8.781 3.467
182 HD2 PHE 21 HD2 PHE 21 28.994 -11.693 6.127
183 HE1 PHE 21 HE1 PHE 21 32.456 -8.280 5.141
184 HE2 PHE 21 HE2 PHE 21 30.752 -11.191 7.802
185 HZ PHE 21 HZ PHE 21 32.481 -9.484 7.307
186 H GLY 22 HN GLY 22 28.064 -10.126 0.560
187 HA2 GLY 22 HA2 GLY 22 25.852 -11.891 0.290
188 HA3 GLY 22 HA1 GLY 22 26.330 -10.651 -0.865
189 H PHE 23 HN PHE 23 28.771 -11.415 -1.709
190 HA PHE 23 HA PHE 23 28.333 -13.276 -3.678
191 HB2 PHE 23 HB2 PHE 23 30.295 -12.148 -4.046
192 HB3 PHE 23 HB1 PHE 23 30.764 -12.196 -2.346
193 HD1 PHE 23 HD2 PHE 23 30.694 -14.077 -5.519
194 HD2 PHE 23 HD1 PHE 23 31.910 -14.115 -1.399
195 HE1 PHE 23 HE2 PHE 23 32.124 -16.056 -5.957
196 HE2 PHE 23 HE1 PHE 23 33.337 -16.091 -1.838
197 HZ PHE 23 HZ PHE 23 33.445 -17.064 -4.118
198 H TRP 24 HN TRP 24 29.009 -13.807 -0.318
199 HA TRP 24 HA TRP 24 29.485 -16.668 -0.753
200 HB2 TRP 24 HB2 TRP 24 31.053 -15.722 0.764
201 HB3 TRP 24 HB1 TRP 24 29.787 -14.872 1.652
202 HD1 TRP 24 HD1 TRP 24 30.467 -18.548 0.665
203 HE1 TRP 24 HE1 TRP 24 29.916 -20.042 2.696
204 HE3 TRP 24 HE3 TRP 24 28.964 -14.990 3.981
205 HZ2 TRP 24 HZ2 TRP 24 28.962 -19.758 5.373
206 HZ3 TRP 24 HZ3 TRP 24 28.234 -15.620 6.269
207 HH2 TRP 24 HH2 TRP 24 28.233 -17.998 6.966
208 H LEU 25 HN LEU 25 27.707 -14.827 1.708
209 HA LEU 25 HA LEU 25 26.013 -16.437 2.849
210 HB2 LEU 25 HB2 LEU 25 25.537 -13.762 1.663
211 HB3 LEU 25 HB1 LEU 25 24.114 -14.656 2.200
212 HG LEU 25 HG LEU 25 26.537 -14.435 3.970
213 HD11 LEU 25 HD11 LEU 25 25.907 -12.133 3.310
214 HD12 LEU 25 HD12 LEU 25 25.535 -12.439 5.006
215 HD13 LEU 25 HD13 LEU 25 24.245 -12.454 3.804
216 HD21 LEU 25 HD21 LEU 25 25.162 -15.303 5.574
217 HD22 LEU 25 HD22 LEU 25 24.205 -15.851 4.198
218 HD23 LEU 25 HD23 LEU 25 23.775 -14.359 5.032
219 H PHE 26 HN PHE 26 25.107 -15.204 -0.379
220 HA PHE 26 HA PHE 26 22.968 -17.068 -0.666
221 HB2 PHE 26 HB2 PHE 26 24.335 -15.653 -2.943
222 HB3 PHE 26 HB1 PHE 26 22.638 -16.109 -2.791
223 HD1 PHE 26 HD1 PHE 26 21.611 -15.173 -0.401
224 HD2 PHE 26 HD2 PHE 26 24.722 -13.363 -2.745
225 HE1 PHE 26 HE1 PHE 26 21.098 -12.975 0.617
226 HE2 PHE 26 HE2 PHE 26 24.210 -11.163 -1.724
227 HZ PHE 26 HZ PHE 26 22.400 -10.969 -0.040
228 H LYS 27 HN LYS 27 25.948 -16.765 -2.600
229 HA LYS 27 HA LYS 27 25.810 -19.129 -3.983
230 HB2 LYS 27 HB2 LYS 27 28.333 -17.868 -2.911
231 HB3 LYS 27 HB1 LYS 27 28.204 -18.946 -4.302
232 HG2 LYS 27 HG2 LYS 27 26.563 -17.257 -5.291
233 HG3 LYS 27 HG1 LYS 27 27.070 -16.156 -4.012
234 HD2 LYS 27 HD2 LYS 27 28.730 -15.541 -5.415
235 HD3 LYS 27 HD1 LYS 27 29.476 -17.084 -5.000
236 HE2 LYS 27 HE2 LYS 27 27.770 -16.422 -7.401
237 HE3 LYS 27 HE1 LYS 27 29.402 -17.086 -7.370
238 HZ1 LYS 27 HZ1 LYS 27 27.474 -18.692 -5.961
239 HZ2 LYS 27 HZ2 LYS 27 28.635 -19.150 -7.115
240 HZ3 LYS 27 HZ3 LYS 27 27.134 -18.534 -7.616
241 H TYR 28 HN TYR 28 26.012 -18.905 -0.636
242 HA TYR 28 HA TYR 28 27.117 -21.651 -0.446
243 HB2 TYR 28 HB2 TYR 28 28.600 -20.756 0.979
244 HB3 TYR 28 HB1 TYR 28 27.719 -19.233 1.065
245 HD1 TYR 28 HD1 TYR 28 27.404 -22.796 2.193
246 HD2 TYR 28 HD2 TYR 28 26.696 -18.654 3.081
247 HE1 TYR 28 HE1 TYR 28 26.544 -23.422 4.435
248 HE2 TYR 28 HE2 TYR 28 25.833 -19.280 5.319
249 HH TYR 28 HH TYR 28 26.406 -21.836 6.858
250 H LEU 29 HN LEU 29 24.801 -19.370 1.019
251 HA LEU 29 HA LEU 29 23.387 -21.573 2.299
252 HB2 LEU 29 HB2 LEU 29 23.799 -19.057 3.126
253 HB3 LEU 29 HB1 LEU 29 22.263 -18.818 2.292
254 HG LEU 29 HG LEU 29 22.796 -20.890 4.445
255 HD11 LEU 29 HD11 LEU 29 21.147 -19.462 5.721
256 HD12 LEU 29 HD12 LEU 29 21.311 -18.251 4.450
257 HD13 LEU 29 HD13 LEU 29 22.708 -18.695 5.432
258 HD21 LEU 29 HD21 LEU 29 21.104 -21.844 3.150
259 HD22 LEU 29 HD22 LEU 29 20.466 -20.278 2.647
260 HD23 LEU 29 HD23 LEU 29 20.159 -20.873 4.280
261 H GLN 30 HN GLN 30 22.820 -19.178 -0.261
262 HA GLN 30 HA GLN 30 20.169 -20.131 -0.838
263 HB2 GLN 30 HB2 GLN 30 20.719 -17.834 -1.337
264 HB3 GLN 30 HB1 GLN 30 22.046 -18.336 -2.384
265 HG2 GLN 30 HG2 GLN 30 20.634 -19.086 -4.062
266 HG3 GLN 30 HG1 GLN 30 19.297 -19.371 -2.951
267 HE21 GLN 30 HE21 GLN 30 20.792 -16.320 -2.395
268 HE22 GLN 30 HE22 GLN 30 19.665 -15.371 -3.234
269 H LYS 31 HN LYS 31 23.284 -21.248 -1.536
270 HA LYS 31 HA LYS 31 22.332 -22.783 -3.878
271 HB2 LYS 31 HB2 LYS 31 24.974 -21.659 -3.098
272 HB3 LYS 31 HB1 LYS 31 24.970 -23.202 -3.952
273 HG2 LYS 31 HG2 LYS 31 25.099 -21.274 -5.516
274 HG3 LYS 31 HG1 LYS 31 23.638 -22.231 -5.762
275 HD2 LYS 31 HD2 LYS 31 22.256 -20.620 -4.782
276 HD3 LYS 31 HD1 LYS 31 23.586 -19.881 -3.889
277 HE2 LYS 31 HE2 LYS 31 24.266 -18.616 -5.677
278 HE3 LYS 31 HE1 LYS 31 23.806 -19.845 -6.854
279 HZ1 LYS 31 HZ1 LYS 31 21.599 -19.192 -6.797
280 HZ2 LYS 31 HZ2 LYS 31 22.426 -17.709 -6.716
281 HZ3 LYS 31 HZ3 LYS 31 21.756 -18.391 -5.310
282 H LYS 32 HN LYS 32 24.052 -23.004 -0.793
283 HA LYS 32 HA LYS 32 24.621 -24.817 0.516
284 HB2 LYS 32 HB2 LYS 32 21.847 -24.812 -0.006
285 HB3 LYS 32 HB1 LYS 32 22.368 -26.494 -0.120
286 HG2 LYS 32 HG2 LYS 32 23.453 -26.328 2.077
287 HG3 LYS 32 HG1 LYS 32 22.990 -24.630 2.190
288 HD2 LYS 32 HD2 LYS 32 20.832 -26.629 1.664
289 HD3 LYS 32 HD1 LYS 32 21.499 -26.545 3.295
290 HE2 LYS 32 HE2 LYS 32 20.738 -23.998 1.909
291 HE3 LYS 32 HE1 LYS 32 19.469 -24.999 2.614
292 HZ1 LYS 32 HZ1 LYS 32 20.858 -25.001 4.692
293 HZ2 LYS 32 HZ2 LYS 32 20.146 -23.513 4.287
294 HZ3 LYS 32 HZ3 LYS 32 21.796 -23.779 3.982
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 22.707 16.768 1.445
2 H2 LYS 1 HT2 LYS 1 22.682 18.466 1.495
3 H3 LYS 1 HT3 LYS 1 24.163 17.637 1.395
4 HA LYS 1 HA LYS 1 22.339 18.393 -0.688
5 HB2 LYS 1 HB2 LYS 1 25.228 17.519 -0.478
6 HB3 LYS 1 HB1 LYS 1 24.465 17.909 -2.020
7 HG2 LYS 1 HG2 LYS 1 24.157 19.873 0.208
8 HG3 LYS 1 HG1 LYS 1 25.731 19.772 -0.585
9 HD2 LYS 1 HD2 LYS 1 23.259 19.907 -2.278
10 HD3 LYS 1 HD1 LYS 1 23.873 21.387 -1.539
11 HE2 LYS 1 HE2 LYS 1 25.814 21.372 -2.788
12 HE3 LYS 1 HE1 LYS 1 25.833 19.614 -2.930
13 HZ1 LYS 1 HZ1 LYS 1 24.523 19.655 -4.739
14 HZ2 LYS 1 HZ2 LYS 1 25.103 21.244 -4.900
15 HZ3 LYS 1 HZ3 LYS 1 23.589 20.958 -4.184
16 H LYS 2 HN LYS 2 24.588 15.653 -0.688
17 HA LYS 2 HA LYS 2 22.836 14.101 -2.355
18 HB2 LYS 2 HB2 LYS 2 24.587 12.353 -2.120
19 HB3 LYS 2 HB1 LYS 2 25.252 13.912 -2.609
20 HG2 LYS 2 HG2 LYS 2 26.565 13.956 -0.786
21 HG3 LYS 2 HG1 LYS 2 25.156 13.800 0.262
22 HD2 LYS 2 HD2 LYS 2 25.218 11.380 0.080
23 HD3 LYS 2 HD1 LYS 2 26.511 11.466 -1.117
24 HE2 LYS 2 HE2 LYS 2 27.267 12.959 1.231
25 HE3 LYS 2 HE1 LYS 2 26.789 11.326 1.694
26 HZ1 LYS 2 HZ1 LYS 2 29.157 11.526 1.089
27 HZ2 LYS 2 HZ2 LYS 2 28.699 11.957 -0.490
28 HZ3 LYS 2 HZ3 LYS 2 28.318 10.417 0.119
29 H HIS 3 HN HIS 3 23.189 11.523 -1.346
30 HA HIS 3 HA HIS 3 20.974 11.155 0.267
31 HB2 HIS 3 HB2 HIS 3 22.326 9.410 -1.032
32 HB3 HIS 3 HB1 HIS 3 23.381 9.340 0.379
33 HD2 HIS 3 HD2 HIS 3 22.393 6.733 1.062
34 HE1 HIS 3 HE1 HIS 3 18.487 8.028 2.002
35 HE2 HIS 3 HE2 HIS 3 20.101 6.073 2.125
36 H THR 4 HN THR 4 21.423 9.756 2.472
37 HA THR 4 HA THR 4 22.123 11.732 4.404
38 HB THR 4 HB THR 4 20.433 10.152 4.998
39 HG1 THR 4 HG1 THR 4 22.748 10.331 6.357
40 HG21 THR 4 HG21 THR 4 22.245 8.304 3.687
41 HG22 THR 4 HG22 THR 4 20.529 8.115 4.044
42 HG23 THR 4 HG23 THR 4 21.734 7.682 5.256
43 H ILE 5 HN ILE 5 23.302 8.813 5.509
44 HA ILE 5 HA ILE 5 26.094 9.710 5.140
45 HB ILE 5 HB ILE 5 26.445 8.184 7.193
46 HG12 ILE 5 HG12 ILE 5 23.675 8.812 7.996
47 HG13 ILE 5 HG11 ILE 5 23.811 7.564 6.757
48 HG21 ILE 5 HG21 ILE 5 26.622 10.623 7.284
49 HG22 ILE 5 HG22 ILE 5 25.767 10.037 8.711
50 HG23 ILE 5 HG23 ILE 5 24.866 10.767 7.382
51 HD11 ILE 5 HD11 ILE 5 25.169 6.192 8.125
52 HD12 ILE 5 HD12 ILE 5 23.912 6.788 9.209
53 HD13 ILE 5 HD13 ILE 5 25.519 7.512 9.241
54 H TRP 6 HN TRP 6 23.818 7.186 4.589
55 HA TRP 6 HA TRP 6 25.278 4.884 4.431
56 HB2 TRP 6 HB2 TRP 6 22.878 5.903 3.214
57 HB3 TRP 6 HB1 TRP 6 23.786 4.956 2.036
58 HD1 TRP 6 HD1 TRP 6 22.609 2.689 2.047
59 HE1 TRP 6 HE1 TRP 6 22.036 0.932 3.838
60 HE3 TRP 6 HE3 TRP 6 23.888 5.281 6.249
61 HZ2 TRP 6 HZ2 TRP 6 22.112 0.663 6.679
62 HZ3 TRP 6 HZ3 TRP 6 23.629 4.251 8.488
63 HH2 TRP 6 HH2 TRP 6 22.742 1.947 8.710
64 H GLU 7 HN GLU 7 24.946 7.197 1.725
65 HA GLU 7 HA GLU 7 26.810 5.982 0.031
66 HB2 GLU 7 HB2 GLU 7 25.639 8.705 0.288
67 HB3 GLU 7 HB1 GLU 7 27.045 8.505 -0.758
68 HG2 GLU 7 HG2 GLU 7 24.619 6.711 -0.939
69 HG3 GLU 7 HG1 GLU 7 24.767 8.196 -1.876
70 H VAL 8 HN VAL 8 27.375 7.398 3.012
71 HA VAL 8 HA VAL 8 30.138 8.153 2.328
72 HB VAL 8 HB VAL 8 28.797 8.640 4.980
73 HG11 VAL 8 HG11 VAL 8 30.513 10.253 5.274
74 HG12 VAL 8 HG12 VAL 8 30.933 10.233 3.561
75 HG13 VAL 8 HG13 VAL 8 31.327 8.850 4.582
76 HG21 VAL 8 HG21 VAL 8 27.387 9.623 3.194
77 HG22 VAL 8 HG22 VAL 8 28.805 10.433 2.529
78 HG23 VAL 8 HG23 VAL 8 28.203 10.879 4.124
79 H ILE 9 HN ILE 9 28.223 6.044 4.418
80 HA ILE 9 HA ILE 9 30.700 4.655 5.210
81 HB ILE 9 HB ILE 9 29.820 5.330 7.219
82 HG12 ILE 9 HG12 ILE 9 29.623 2.653 6.806
83 HG13 ILE 9 HG11 ILE 9 29.266 3.429 8.335
84 HG21 ILE 9 HG21 ILE 9 27.937 6.532 6.480
85 HG22 ILE 9 HG22 ILE 9 27.321 5.384 7.661
86 HG23 ILE 9 HG23 ILE 9 27.108 5.076 5.934
87 HD11 ILE 9 HD11 ILE 9 26.925 3.380 7.963
88 HD12 ILE 9 HD12 ILE 9 27.499 1.796 7.448
89 HD13 ILE 9 HD13 ILE 9 27.117 3.023 6.250
90 H ALA 10 HN ALA 10 27.317 4.185 4.251
91 HA ALA 10 HA ALA 10 27.556 1.354 3.925
92 HB1 ALA 10 HB1 ALA 10 25.569 3.222 2.612
93 HB2 ALA 10 HB2 ALA 10 25.388 2.565 4.240
94 HB3 ALA 10 HB3 ALA 10 25.395 1.483 2.848
95 H GLY 11 HN GLY 11 27.010 3.840 1.411
96 HA2 GLY 11 HA2 GLY 11 27.703 2.302 -0.788
97 HA3 GLY 11 HA1 GLY 11 27.907 4.053 -0.708
98 H LEU 12 HN LEU 12 29.624 3.335 1.792
99 HA LEU 12 HA LEU 12 32.117 3.031 0.276
100 HB2 LEU 12 HB2 LEU 12 31.715 5.039 1.807
101 HB3 LEU 12 HB1 LEU 12 31.866 3.905 3.152
102 HG LEU 12 HG LEU 12 34.057 3.210 1.726
103 HD11 LEU 12 HD11 LEU 12 33.929 6.211 1.393
104 HD12 LEU 12 HD12 LEU 12 33.431 5.112 0.106
105 HD13 LEU 12 HD13 LEU 12 35.092 5.084 0.697
106 HD21 LEU 12 HD21 LEU 12 33.825 5.506 3.699
107 HD22 LEU 12 HD22 LEU 12 35.326 4.674 3.294
108 HD23 LEU 12 HD23 LEU 12 34.026 3.802 4.106
109 H VAL 13 HN VAL 13 30.112 1.558 2.710
110 HA VAL 13 HA VAL 13 32.152 -0.555 3.110
111 HB VAL 13 HB VAL 13 29.899 0.264 4.959
112 HG11 VAL 13 HG11 VAL 13 31.987 -1.917 5.046
113 HG12 VAL 13 HG12 VAL 13 30.242 -2.066 5.253
114 HG13 VAL 13 HG13 VAL 13 31.218 -1.310 6.512
115 HG21 VAL 13 HG21 VAL 13 31.495 1.355 6.265
116 HG22 VAL 13 HG22 VAL 13 32.103 1.699 4.646
117 HG23 VAL 13 HG23 VAL 13 32.828 0.408 5.605
118 H ALA 14 HN ALA 14 28.610 -0.080 3.104
119 HA ALA 14 HA ALA 14 27.748 -2.662 2.894
120 HB1 ALA 14 HB1 ALA 14 25.857 -1.792 1.524
121 HB2 ALA 14 HB2 ALA 14 26.723 -0.266 1.349
122 HB3 ALA 14 HB3 ALA 14 26.184 -0.797 2.943
123 H LEU 15 HN LEU 15 28.889 -0.614 0.211
124 HA LEU 15 HA LEU 15 28.578 -2.592 -1.791
125 HB2 LEU 15 HB2 LEU 15 28.860 -0.161 -2.266
126 HB3 LEU 15 HB1 LEU 15 30.532 -0.276 -1.723
127 HG LEU 15 HG LEU 15 30.977 -1.966 -3.489
128 HD11 LEU 15 HD11 LEU 15 29.042 -1.856 -5.333
129 HD12 LEU 15 HD12 LEU 15 28.039 -1.604 -3.906
130 HD13 LEU 15 HD13 LEU 15 29.021 -3.062 -4.047
131 HD21 LEU 15 HD21 LEU 15 29.891 0.019 -5.261
132 HD22 LEU 15 HD22 LEU 15 31.568 -0.208 -4.764
133 HD23 LEU 15 HD23 LEU 15 30.496 0.816 -3.809
134 H LEU 16 HN LEU 16 31.082 -1.868 0.529
135 HA LEU 16 HA LEU 16 32.903 -3.836 -0.645
136 HB2 LEU 16 HB2 LEU 16 33.353 -2.227 1.865
137 HB3 LEU 16 HB1 LEU 16 34.558 -2.979 0.818
138 HG LEU 16 HG LEU 16 32.770 -0.634 0.125
139 HD11 LEU 16 HD11 LEU 16 34.746 0.667 0.137
140 HD12 LEU 16 HD12 LEU 16 35.786 -0.758 0.097
141 HD13 LEU 16 HD13 LEU 16 34.900 -0.353 1.568
142 HD21 LEU 16 HD21 LEU 16 34.279 -0.705 -1.992
143 HD22 LEU 16 HD22 LEU 16 32.932 -1.838 -1.892
144 HD23 LEU 16 HD23 LEU 16 34.571 -2.385 -1.541
145 H THR 17 HN THR 17 30.259 -4.011 1.208
146 HA THR 17 HA THR 17 31.310 -6.272 2.800
147 HB THR 17 HB THR 17 29.475 -4.047 3.573
148 HG1 THR 17 HG1 THR 17 31.748 -5.337 4.467
149 HG21 THR 17 HG21 THR 17 29.285 -6.917 4.480
150 HG22 THR 17 HG22 THR 17 27.981 -5.831 3.994
151 HG23 THR 17 HG23 THR 17 28.805 -5.588 5.534
152 H PHE 18 HN PHE 18 28.194 -4.917 1.706
153 HA PHE 18 HA PHE 18 26.606 -7.112 1.709
154 HB2 PHE 18 HB2 PHE 18 26.215 -4.682 0.768
155 HB3 PHE 18 HB1 PHE 18 26.586 -5.446 -0.778
156 HD1 PHE 18 HD2 PHE 18 24.442 -5.830 2.265
157 HD2 PHE 18 HD1 PHE 18 24.933 -6.673 -1.919
158 HE1 PHE 18 HE2 PHE 18 22.151 -6.776 2.187
159 HE2 PHE 18 HE1 PHE 18 22.641 -7.619 -1.996
160 HZ PHE 18 HZ PHE 18 21.250 -7.669 0.057
161 H LEU 19 HN LEU 19 28.847 -6.253 -0.928
162 HA LEU 19 HA LEU 19 28.333 -8.637 -2.428
163 HB2 LEU 19 HB2 LEU 19 30.415 -6.468 -2.545
164 HB3 LEU 19 HB1 LEU 19 30.566 -7.906 -3.551
165 HG LEU 19 HG LEU 19 29.374 -5.970 -4.663
166 HD11 LEU 19 HD11 LEU 19 28.763 -8.709 -4.724
167 HD12 LEU 19 HD12 LEU 19 28.295 -7.503 -5.919
168 HD13 LEU 19 HD13 LEU 19 27.200 -7.904 -4.597
169 HD21 LEU 19 HD21 LEU 19 27.102 -6.670 -2.796
170 HD22 LEU 19 HD22 LEU 19 27.202 -5.319 -3.924
171 HD23 LEU 19 HD23 LEU 19 28.208 -5.335 -2.476
172 H ALA 20 HN ALA 20 31.109 -7.582 -0.444
173 HA ALA 20 HA ALA 20 32.759 -9.744 -0.639
174 HB1 ALA 20 HB1 ALA 20 33.237 -7.737 0.726
175 HB2 ALA 20 HB2 ALA 20 33.557 -9.229 1.609
176 HB3 ALA 20 HB3 ALA 20 32.091 -8.306 1.938
177 H PHE 21 HN PHE 21 30.118 -9.446 1.755
178 HA PHE 21 HA PHE 21 30.371 -12.229 2.500
179 HB2 PHE 21 HB2 PHE 21 28.432 -10.054 3.293
180 HB3 PHE 21 HB1 PHE 21 28.349 -11.702 3.916
181 HD1 PHE 21 HD1 PHE 21 30.548 -8.710 3.650
182 HD2 PHE 21 HD2 PHE 21 29.819 -12.451 5.629
183 HE1 PHE 21 HE1 PHE 21 32.307 -8.172 5.313
184 HE2 PHE 21 HE2 PHE 21 31.578 -11.913 7.292
185 HZ PHE 21 HZ PHE 21 32.821 -9.773 7.134
186 H GLY 22 HN GLY 22 28.153 -10.236 0.600
187 HA2 GLY 22 HA2 GLY 22 26.072 -12.036 0.195
188 HA3 GLY 22 HA1 GLY 22 26.573 -10.816 -0.972
189 H PHE 23 HN PHE 23 29.085 -11.664 -1.667
190 HA PHE 23 HA PHE 23 28.628 -13.543 -3.648
191 HB2 PHE 23 HB2 PHE 23 30.930 -12.190 -2.523
192 HB3 PHE 23 HB1 PHE 23 31.329 -13.845 -2.975
193 HD1 PHE 23 HD1 PHE 23 30.160 -14.602 -5.300
194 HD2 PHE 23 HD2 PHE 23 31.170 -10.575 -4.193
195 HE1 PHE 23 HE1 PHE 23 30.193 -13.952 -7.691
196 HE2 PHE 23 HE2 PHE 23 31.205 -9.927 -6.584
197 HZ PHE 23 HZ PHE 23 30.715 -11.615 -8.334
198 H TRP 24 HN TRP 24 28.996 -14.018 -0.293
199 HA TRP 24 HA TRP 24 29.538 -16.890 -0.653
200 HB2 TRP 24 HB2 TRP 24 31.107 -15.925 0.865
201 HB3 TRP 24 HB1 TRP 24 29.833 -15.070 1.737
202 HD1 TRP 24 HD1 TRP 24 30.451 -18.753 0.738
203 HE1 TRP 24 HE1 TRP 24 29.885 -20.244 2.768
204 HE3 TRP 24 HE3 TRP 24 29.055 -15.176 4.079
205 HZ2 TRP 24 HZ2 TRP 24 28.959 -19.947 5.454
206 HZ3 TRP 24 HZ3 TRP 24 28.334 -15.798 6.371
207 HH2 TRP 24 HH2 TRP 24 28.284 -18.178 7.060
208 H LEU 25 HN LEU 25 27.819 -15.010 1.811
209 HA LEU 25 HA LEU 25 26.046 -16.570 2.903
210 HB2 LEU 25 HB2 LEU 25 25.713 -13.846 1.796
211 HB3 LEU 25 HB1 LEU 25 24.234 -14.685 2.267
212 HG LEU 25 HG LEU 25 26.621 -14.642 4.100
213 HD11 LEU 25 HD11 LEU 25 25.682 -12.641 5.185
214 HD12 LEU 25 HD12 LEU 25 24.427 -12.553 3.950
215 HD13 LEU 25 HD13 LEU 25 26.114 -12.293 3.510
216 HD21 LEU 25 HD21 LEU 25 23.845 -14.475 5.105
217 HD22 LEU 25 HD22 LEU 25 25.172 -15.508 5.636
218 HD23 LEU 25 HD23 LEU 25 24.220 -15.954 4.222
219 H PHE 26 HN PHE 26 25.226 -15.239 -0.314
220 HA PHE 26 HA PHE 26 23.037 -17.062 -0.641
221 HB2 PHE 26 HB2 PHE 26 24.387 -15.575 -2.882
222 HB3 PHE 26 HB1 PHE 26 22.686 -16.011 -2.717
223 HD1 PHE 26 HD1 PHE 26 21.737 -15.156 -0.251
224 HD2 PHE 26 HD2 PHE 26 24.786 -13.289 -2.636
225 HE1 PHE 26 HE1 PHE 26 21.276 -12.988 0.855
226 HE2 PHE 26 HE2 PHE 26 24.324 -11.121 -1.528
227 HZ PHE 26 HZ PHE 26 22.573 -10.972 0.219
228 H LYS 27 HN LYS 27 26.063 -16.712 -2.498
229 HA LYS 27 HA LYS 27 25.892 -19.021 -3.992
230 HB2 LYS 27 HB2 LYS 27 28.499 -18.009 -2.856
231 HB3 LYS 27 HB1 LYS 27 28.224 -18.815 -4.399
232 HG2 LYS 27 HG2 LYS 27 27.294 -16.039 -3.602
233 HG3 LYS 27 HG1 LYS 27 28.484 -16.450 -4.838
234 HD2 LYS 27 HD2 LYS 27 26.548 -17.831 -5.904
235 HD3 LYS 27 HD1 LYS 27 25.501 -16.839 -4.887
236 HE2 LYS 27 HE2 LYS 27 27.094 -14.910 -5.934
237 HE3 LYS 27 HE1 LYS 27 27.106 -16.072 -7.262
238 HZ1 LYS 27 HZ1 LYS 27 24.815 -15.952 -7.495
239 HZ2 LYS 27 HZ2 LYS 27 25.249 -14.338 -7.188
240 HZ3 LYS 27 HZ3 LYS 27 24.581 -15.291 -5.951
241 H TYR 28 HN TYR 28 26.025 -18.917 -0.639
242 HA TYR 28 HA TYR 28 27.099 -21.680 -0.519
243 HB2 TYR 28 HB2 TYR 28 28.564 -20.849 0.966
244 HB3 TYR 28 HB1 TYR 28 27.694 -19.325 1.098
245 HD1 TYR 28 HD1 TYR 28 27.343 -22.928 2.074
246 HD2 TYR 28 HD2 TYR 28 26.618 -18.823 3.109
247 HE1 TYR 28 HE1 TYR 28 26.430 -23.641 4.269
248 HE2 TYR 28 HE2 TYR 28 25.706 -19.534 5.301
249 HH TYR 28 HH TYR 28 24.845 -22.713 5.988
250 H LEU 29 HN LEU 29 24.778 -19.427 0.977
251 HA LEU 29 HA LEU 29 23.322 -21.653 2.161
252 HB2 LEU 29 HB2 LEU 29 23.755 -19.173 3.077
253 HB3 LEU 29 HB1 LEU 29 22.234 -18.887 2.235
254 HG LEU 29 HG LEU 29 22.709 -21.042 4.316
255 HD11 LEU 29 HD11 LEU 29 21.311 -18.359 4.412
256 HD12 LEU 29 HD12 LEU 29 22.658 -18.908 5.409
257 HD13 LEU 29 HD13 LEU 29 21.059 -19.619 5.621
258 HD21 LEU 29 HD21 LEU 29 20.415 -20.329 2.517
259 HD22 LEU 29 HD22 LEU 29 20.066 -20.935 4.136
260 HD23 LEU 29 HD23 LEU 29 20.997 -21.920 3.009
261 H GLN 30 HN GLN 30 22.895 -19.237 -0.375
262 HA GLN 30 HA GLN 30 20.215 -20.128 -1.006
263 HB2 GLN 30 HB2 GLN 30 20.793 -17.795 -1.339
264 HB3 GLN 30 HB1 GLN 30 22.101 -18.242 -2.430
265 HG2 GLN 30 HG2 GLN 30 20.689 -18.750 -4.159
266 HG3 GLN 30 HG1 GLN 30 19.398 -19.290 -3.088
267 HE21 GLN 30 HE21 GLN 30 20.831 -16.201 -2.324
268 HE22 GLN 30 HE22 GLN 30 19.560 -15.243 -2.915
269 H LYS 31 HN LYS 31 23.353 -21.184 -1.739
270 HA LYS 31 HA LYS 31 22.389 -22.641 -4.131
271 HB2 LYS 31 HB2 LYS 31 25.004 -21.384 -3.457
272 HB3 LYS 31 HB1 LYS 31 25.027 -22.872 -4.401
273 HG2 LYS 31 HG2 LYS 31 24.936 -20.837 -5.838
274 HG3 LYS 31 HG1 LYS 31 23.535 -21.884 -6.062
275 HD2 LYS 31 HD2 LYS 31 22.094 -20.418 -5.010
276 HD3 LYS 31 HD1 LYS 31 23.360 -19.741 -3.985
277 HE2 LYS 31 HE2 LYS 31 24.322 -18.576 -5.934
278 HE3 LYS 31 HE1 LYS 31 23.065 -19.260 -6.966
279 HZ1 LYS 31 HZ1 LYS 31 22.615 -16.965 -6.161
280 HZ2 LYS 31 HZ2 LYS 31 22.504 -17.585 -4.583
281 HZ3 LYS 31 HZ3 LYS 31 21.401 -18.085 -5.776
282 H LYS 32 HN LYS 32 24.387 -22.868 -1.206
283 HA LYS 32 HA LYS 32 25.259 -24.717 -0.114
284 HB2 LYS 32 HB2 LYS 32 22.727 -26.196 -0.512
285 HB3 LYS 32 HB1 LYS 32 23.586 -25.801 0.975
286 HG2 LYS 32 HG2 LYS 32 22.842 -23.414 0.688
287 HG3 LYS 32 HG1 LYS 32 21.842 -23.943 -0.665
288 HD2 LYS 32 HD2 LYS 32 21.309 -25.718 1.485
289 HD3 LYS 32 HD1 LYS 32 21.264 -24.086 2.149
290 HE2 LYS 32 HE2 LYS 32 19.048 -24.762 1.286
291 HE3 LYS 32 HE1 LYS 32 19.697 -23.399 0.376
292 HZ1 LYS 32 HZ1 LYS 32 18.792 -25.097 -1.087
293 HZ2 LYS 32 HZ2 LYS 32 19.857 -26.251 -0.437
294 HZ3 LYS 32 HZ3 LYS 32 20.464 -24.931 -1.317
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 23.192 17.920 -3.415
2 H2 LYS 1 HT2 LYS 1 23.241 16.742 -2.193
3 H3 LYS 1 HT3 LYS 1 21.771 17.115 -2.961
4 HA LYS 1 HA LYS 1 22.130 15.606 -4.516
5 HB2 LYS 1 HB2 LYS 1 24.803 17.001 -4.836
6 HB3 LYS 1 HB1 LYS 1 24.177 15.781 -5.944
7 HG2 LYS 1 HG2 LYS 1 22.155 17.779 -5.468
8 HG3 LYS 1 HG1 LYS 1 23.650 18.561 -5.981
9 HD2 LYS 1 HD2 LYS 1 23.779 17.085 -7.936
10 HD3 LYS 1 HD1 LYS 1 22.320 16.241 -7.412
11 HE2 LYS 1 HE2 LYS 1 22.314 19.224 -7.856
12 HE3 LYS 1 HE1 LYS 1 22.057 18.104 -9.194
13 HZ1 LYS 1 HZ1 LYS 1 20.222 18.937 -7.247
14 HZ2 LYS 1 HZ2 LYS 1 20.475 17.268 -7.053
15 HZ3 LYS 1 HZ3 LYS 1 19.966 17.884 -8.552
16 H LYS 2 HN LYS 2 22.834 15.093 -1.747
17 HA LYS 2 HA LYS 2 24.504 12.724 -2.182
18 HB2 LYS 2 HB2 LYS 2 25.484 15.056 -0.910
19 HB3 LYS 2 HB1 LYS 2 25.201 13.867 0.361
20 HG2 LYS 2 HG2 LYS 2 26.761 13.331 -2.187
21 HG3 LYS 2 HG1 LYS 2 27.484 13.681 -0.617
22 HD2 LYS 2 HD2 LYS 2 25.541 11.609 -0.261
23 HD3 LYS 2 HD1 LYS 2 26.590 11.161 -1.606
24 HE2 LYS 2 HE2 LYS 2 27.475 10.399 0.602
25 HE3 LYS 2 HE1 LYS 2 28.573 11.499 -0.231
26 HZ1 LYS 2 HZ1 LYS 2 28.451 12.892 1.465
27 HZ2 LYS 2 HZ2 LYS 2 27.466 11.791 2.303
28 HZ3 LYS 2 HZ3 LYS 2 26.765 12.988 1.324
29 H HIS 3 HN HIS 3 23.716 10.989 -1.156
30 HA HIS 3 HA HIS 3 21.228 11.052 0.164
31 HB2 HIS 3 HB2 HIS 3 22.312 9.077 -1.017
32 HB3 HIS 3 HB1 HIS 3 23.289 8.861 0.436
33 HD2 HIS 3 HD2 HIS 3 21.842 6.455 1.073
34 HE1 HIS 3 HE1 HIS 3 18.204 8.421 1.915
35 HE2 HIS 3 HE2 HIS 3 19.444 6.211 2.077
36 H THR 4 HN THR 4 21.209 9.678 2.409
37 HA THR 4 HA THR 4 21.906 11.487 4.416
38 HB THR 4 HB THR 4 20.231 9.865 4.900
39 HG1 THR 4 HG1 THR 4 22.172 10.303 6.463
40 HG21 THR 4 HG21 THR 4 21.545 7.402 5.128
41 HG22 THR 4 HG22 THR 4 22.120 8.080 3.605
42 HG23 THR 4 HG23 THR 4 20.391 7.867 3.879
43 H ILE 5 HN ILE 5 23.109 8.516 5.424
44 HA ILE 5 HA ILE 5 25.888 9.513 5.261
45 HB ILE 5 HB ILE 5 26.179 7.910 7.267
46 HG12 ILE 5 HG12 ILE 5 23.368 8.442 7.981
47 HG13 ILE 5 HG11 ILE 5 23.572 7.264 6.682
48 HG21 ILE 5 HG21 ILE 5 26.304 10.338 7.477
49 HG22 ILE 5 HG22 ILE 5 25.365 9.688 8.821
50 HG23 ILE 5 HG23 ILE 5 24.544 10.456 7.462
51 HD11 ILE 5 HD11 ILE 5 24.939 5.861 8.027
52 HD12 ILE 5 HD12 ILE 5 23.593 6.331 9.064
53 HD13 ILE 5 HD13 ILE 5 25.160 7.118 9.243
54 H TRP 6 HN TRP 6 23.713 6.918 4.556
55 HA TRP 6 HA TRP 6 25.252 4.682 4.338
56 HB2 TRP 6 HB2 TRP 6 22.885 5.700 3.034
57 HB3 TRP 6 HB1 TRP 6 23.875 4.803 1.884
58 HD1 TRP 6 HD1 TRP 6 22.734 2.518 1.771
59 HE1 TRP 6 HE1 TRP 6 22.104 0.701 3.481
60 HE3 TRP 6 HE3 TRP 6 23.761 5.007 6.101
61 HZ2 TRP 6 HZ2 TRP 6 22.044 0.352 6.314
62 HZ3 TRP 6 HZ3 TRP 6 23.408 3.910 8.296
63 HH2 TRP 6 HH2 TRP 6 22.551 1.587 8.409
64 H GLU 7 HN GLU 7 24.849 6.901 1.570
65 HA GLU 7 HA GLU 7 26.852 5.923 -0.039
66 HB2 GLU 7 HB2 GLU 7 25.672 8.643 0.340
67 HB3 GLU 7 HB1 GLU 7 27.052 8.446 -0.739
68 HG2 GLU 7 HG2 GLU 7 24.570 6.728 -0.925
69 HG3 GLU 7 HG1 GLU 7 24.764 8.225 -1.836
70 H VAL 8 HN VAL 8 27.246 7.379 3.012
71 HA VAL 8 HA VAL 8 30.024 8.149 2.447
72 HB VAL 8 HB VAL 8 28.633 8.531 5.087
73 HG11 VAL 8 HG11 VAL 8 30.250 10.308 5.339
74 HG12 VAL 8 HG12 VAL 8 30.775 10.130 3.664
75 HG13 VAL 8 HG13 VAL 8 31.116 8.857 4.834
76 HG21 VAL 8 HG21 VAL 8 28.575 10.373 2.672
77 HG22 VAL 8 HG22 VAL 8 27.954 10.766 4.276
78 HG23 VAL 8 HG23 VAL 8 27.187 9.499 3.318
79 H ILE 9 HN ILE 9 28.116 5.959 4.475
80 HA ILE 9 HA ILE 9 30.611 4.610 5.275
81 HB ILE 9 HB ILE 9 29.653 5.216 7.275
82 HG12 ILE 9 HG12 ILE 9 29.581 2.544 6.797
83 HG13 ILE 9 HG11 ILE 9 29.151 3.268 8.333
84 HG21 ILE 9 HG21 ILE 9 27.145 5.155 7.651
85 HG22 ILE 9 HG22 ILE 9 26.990 4.880 5.913
86 HG23 ILE 9 HG23 ILE 9 27.742 6.356 6.514
87 HD11 ILE 9 HD11 ILE 9 27.481 1.583 7.364
88 HD12 ILE 9 HD12 ILE 9 27.077 2.820 6.181
89 HD13 ILE 9 HD13 ILE 9 26.824 3.130 7.894
90 H ALA 10 HN ALA 10 27.272 4.071 4.206
91 HA ALA 10 HA ALA 10 27.590 1.254 3.837
92 HB1 ALA 10 HB1 ALA 10 25.385 2.357 4.110
93 HB2 ALA 10 HB2 ALA 10 25.467 1.375 2.648
94 HB3 ALA 10 HB3 ALA 10 25.601 3.132 2.539
95 H GLY 11 HN GLY 11 27.066 3.766 1.346
96 HA2 GLY 11 HA2 GLY 11 27.871 2.277 -0.849
97 HA3 GLY 11 HA1 GLY 11 28.025 4.030 -0.741
98 H LEU 12 HN LEU 12 29.671 3.326 1.805
99 HA LEU 12 HA LEU 12 32.225 3.113 0.376
100 HB2 LEU 12 HB2 LEU 12 31.705 5.077 1.935
101 HB3 LEU 12 HB1 LEU 12 31.854 3.919 3.256
102 HG LEU 12 HG LEU 12 34.113 3.307 1.966
103 HD11 LEU 12 HD11 LEU 12 35.067 5.047 0.746
104 HD12 LEU 12 HD12 LEU 12 34.044 6.272 1.499
105 HD13 LEU 12 HD13 LEU 12 33.374 5.194 0.275
106 HD21 LEU 12 HD21 LEU 12 35.268 4.917 3.483
107 HD22 LEU 12 HD22 LEU 12 33.980 4.035 4.302
108 HD23 LEU 12 HD23 LEU 12 33.718 5.703 3.791
109 H VAL 13 HN VAL 13 30.175 1.543 2.709
110 HA VAL 13 HA VAL 13 32.246 -0.535 3.122
111 HB VAL 13 HB VAL 13 29.958 0.215 4.959
112 HG11 VAL 13 HG11 VAL 13 32.120 -1.896 5.063
113 HG12 VAL 13 HG12 VAL 13 30.376 -2.116 5.207
114 HG13 VAL 13 HG13 VAL 13 31.277 -1.342 6.510
115 HG21 VAL 13 HG21 VAL 13 32.117 1.719 4.689
116 HG22 VAL 13 HG22 VAL 13 32.881 0.434 5.624
117 HG23 VAL 13 HG23 VAL 13 31.518 1.324 6.299
118 H ALA 14 HN ALA 14 28.694 -0.121 3.100
119 HA ALA 14 HA ALA 14 27.886 -2.717 2.845
120 HB1 ALA 14 HB1 ALA 14 25.950 -1.896 1.585
121 HB2 ALA 14 HB2 ALA 14 26.793 -0.384 1.250
122 HB3 ALA 14 HB3 ALA 14 26.337 -0.791 2.904
123 H LEU 15 HN LEU 15 29.164 -0.632 0.273
124 HA LEU 15 HA LEU 15 28.839 -2.562 -1.800
125 HB2 LEU 15 HB2 LEU 15 29.115 -0.115 -2.215
126 HB3 LEU 15 HB1 LEU 15 30.784 -0.241 -1.664
127 HG LEU 15 HG LEU 15 31.236 -1.901 -3.461
128 HD11 LEU 15 HD11 LEU 15 29.325 -1.731 -5.325
129 HD12 LEU 15 HD12 LEU 15 28.305 -1.501 -3.904
130 HD13 LEU 15 HD13 LEU 15 29.276 -2.965 -4.066
131 HD21 LEU 15 HD21 LEU 15 30.278 0.057 -5.268
132 HD22 LEU 15 HD22 LEU 15 31.893 -0.056 -4.568
133 HD23 LEU 15 HD23 LEU 15 30.651 0.907 -3.768
134 H LEU 16 HN LEU 16 31.337 -1.826 0.539
135 HA LEU 16 HA LEU 16 33.189 -3.754 -0.636
136 HB2 LEU 16 HB2 LEU 16 33.544 -2.250 1.954
137 HB3 LEU 16 HB1 LEU 16 34.789 -2.947 0.918
138 HG LEU 16 HG LEU 16 32.997 -0.597 0.249
139 HD11 LEU 16 HD11 LEU 16 36.015 -0.695 0.403
140 HD12 LEU 16 HD12 LEU 16 35.022 -0.307 1.809
141 HD13 LEU 16 HD13 LEU 16 34.970 0.727 0.380
142 HD21 LEU 16 HD21 LEU 16 33.283 -1.704 -1.808
143 HD22 LEU 16 HD22 LEU 16 34.907 -2.252 -1.393
144 HD23 LEU 16 HD23 LEU 16 34.622 -0.557 -1.788
145 H THR 17 HN THR 17 30.509 -3.940 1.218
146 HA THR 17 HA THR 17 31.506 -6.272 2.736
147 HB THR 17 HB THR 17 29.646 -4.072 3.500
148 HG1 THR 17 HG1 THR 17 31.262 -3.869 4.791
149 HG21 THR 17 HG21 THR 17 28.120 -5.857 3.797
150 HG22 THR 17 HG22 THR 17 28.869 -5.658 5.380
151 HG23 THR 17 HG23 THR 17 29.390 -6.964 4.318
152 H PHE 18 HN PHE 18 28.391 -4.930 1.620
153 HA PHE 18 HA PHE 18 26.896 -7.202 1.481
154 HB2 PHE 18 HB2 PHE 18 26.335 -4.750 0.786
155 HB3 PHE 18 HB1 PHE 18 26.805 -5.286 -0.829
156 HD1 PHE 18 HD1 PHE 18 24.457 -5.870 1.984
157 HD2 PHE 18 HD2 PHE 18 25.439 -6.813 -2.090
158 HE1 PHE 18 HE1 PHE 18 22.249 -6.960 1.703
159 HE2 PHE 18 HE2 PHE 18 23.231 -7.904 -2.370
160 HZ PHE 18 HZ PHE 18 21.635 -7.978 -0.473
161 H LEU 19 HN LEU 19 29.246 -6.094 -0.941
162 HA LEU 19 HA LEU 19 28.743 -8.272 -2.739
163 HB2 LEU 19 HB2 LEU 19 30.863 -6.146 -2.532
164 HB3 LEU 19 HB1 LEU 19 31.015 -7.454 -3.702
165 HG LEU 19 HG LEU 19 29.897 -5.376 -4.606
166 HD11 LEU 19 HD11 LEU 19 27.679 -7.258 -4.808
167 HD12 LEU 19 HD12 LEU 19 29.232 -8.066 -5.016
168 HD13 LEU 19 HD13 LEU 19 28.796 -6.712 -6.056
169 HD21 LEU 19 HD21 LEU 19 27.550 -6.223 -2.904
170 HD22 LEU 19 HD22 LEU 19 27.734 -4.743 -3.842
171 HD23 LEU 19 HD23 LEU 19 28.687 -4.984 -2.377
172 H ALA 20 HN ALA 20 30.675 -7.850 0.086
173 HA ALA 20 HA ALA 20 32.454 -10.070 -0.536
174 HB1 ALA 20 HB1 ALA 20 33.766 -9.084 0.986
175 HB2 ALA 20 HB2 ALA 20 32.531 -9.298 2.227
176 HB3 ALA 20 HB3 ALA 20 32.526 -7.851 1.219
177 H PHE 21 HN PHE 21 29.884 -9.344 1.817
178 HA PHE 21 HA PHE 21 29.846 -12.063 2.801
179 HB2 PHE 21 HB2 PHE 21 28.115 -9.645 3.326
180 HB3 PHE 21 HB1 PHE 21 27.823 -11.218 4.069
181 HD1 PHE 21 HD2 PHE 21 30.612 -8.777 3.489
182 HD2 PHE 21 HD1 PHE 21 28.873 -11.712 6.101
183 HE1 PHE 21 HE2 PHE 21 32.350 -8.292 5.191
184 HE2 PHE 21 HE1 PHE 21 30.611 -11.227 7.802
185 HZ PHE 21 HZ PHE 21 32.349 -9.517 7.345
186 H GLY 22 HN GLY 22 27.941 -10.063 0.613
187 HA2 GLY 22 HA2 GLY 22 25.744 -11.803 0.279
188 HA3 GLY 22 HA1 GLY 22 26.262 -10.580 -0.874
189 H PHE 23 HN PHE 23 28.663 -11.361 -1.732
190 HA PHE 23 HA PHE 23 28.235 -13.219 -3.685
191 HB2 PHE 23 HB2 PHE 23 30.231 -12.151 -4.016
192 HB3 PHE 23 HB1 PHE 23 30.659 -12.197 -2.306
193 HD1 PHE 23 HD1 PHE 23 30.603 -14.111 -5.461
194 HD2 PHE 23 HD2 PHE 23 31.765 -14.117 -1.326
195 HE1 PHE 23 HE1 PHE 23 32.002 -16.118 -5.856
196 HE2 PHE 23 HE2 PHE 23 33.164 -16.122 -1.721
197 HZ PHE 23 HZ PHE 23 33.285 -17.125 -3.987
198 H TRP 24 HN TRP 24 29.278 -13.803 -0.364
199 HA TRP 24 HA TRP 24 29.548 -16.660 -0.801
200 HB2 TRP 24 HB2 TRP 24 31.105 -15.749 0.736
201 HB3 TRP 24 HB1 TRP 24 29.846 -14.873 1.607
202 HD1 TRP 24 HD1 TRP 24 30.473 -18.577 0.666
203 HE1 TRP 24 HE1 TRP 24 29.907 -20.031 2.721
204 HE3 TRP 24 HE3 TRP 24 29.023 -14.945 3.927
205 HZ2 TRP 24 HZ2 TRP 24 28.964 -19.690 5.395
206 HZ3 TRP 24 HZ3 TRP 24 28.293 -15.529 6.228
207 HH2 TRP 24 HH2 TRP 24 28.262 -17.897 6.962
208 H LEU 25 HN LEU 25 27.710 -14.806 1.610
209 HA LEU 25 HA LEU 25 26.010 -16.423 2.737
210 HB2 LEU 25 HB2 LEU 25 25.528 -13.768 1.517
211 HB3 LEU 25 HB1 LEU 25 24.109 -14.668 2.048
212 HG LEU 25 HG LEU 25 26.514 -14.401 3.833
213 HD11 LEU 25 HD11 LEU 25 25.475 -12.414 4.850
214 HD12 LEU 25 HD12 LEU 25 24.195 -12.457 3.639
215 HD13 LEU 25 HD13 LEU 25 25.856 -12.116 3.153
216 HD21 LEU 25 HD21 LEU 25 23.767 -14.350 4.910
217 HD22 LEU 25 HD22 LEU 25 25.157 -15.306 5.423
218 HD23 LEU 25 HD23 LEU 25 24.180 -15.837 4.055
219 H PHE 26 HN PHE 26 25.204 -15.270 -0.552
220 HA PHE 26 HA PHE 26 23.037 -17.095 -0.826
221 HB2 PHE 26 HB2 PHE 26 24.483 -15.816 -3.130
222 HB3 PHE 26 HB1 PHE 26 22.772 -16.223 -2.990
223 HD1 PHE 26 HD1 PHE 26 21.746 -15.153 -0.638
224 HD2 PHE 26 HD2 PHE 26 24.902 -13.524 -3.055
225 HE1 PHE 26 HE1 PHE 26 21.274 -12.895 0.267
226 HE2 PHE 26 HE2 PHE 26 24.430 -11.267 -2.151
227 HZ PHE 26 HZ PHE 26 22.617 -10.952 -0.489
228 H LYS 27 HN LYS 27 26.073 -16.978 -2.711
229 HA LYS 27 HA LYS 27 25.816 -19.444 -3.940
230 HB2 LYS 27 HB2 LYS 27 28.262 -17.868 -3.166
231 HB3 LYS 27 HB1 LYS 27 28.352 -19.360 -4.105
232 HG2 LYS 27 HG2 LYS 27 27.155 -18.450 -5.909
233 HG3 LYS 27 HG1 LYS 27 26.477 -17.153 -4.925
234 HD2 LYS 27 HD2 LYS 27 28.336 -15.839 -5.134
235 HD3 LYS 27 HD1 LYS 27 29.439 -17.217 -5.134
236 HE2 LYS 27 HE2 LYS 27 29.116 -15.881 -7.351
237 HE3 LYS 27 HE1 LYS 27 29.103 -17.644 -7.421
238 HZ1 LYS 27 HZ1 LYS 27 26.526 -16.524 -6.848
239 HZ2 LYS 27 HZ2 LYS 27 26.974 -17.667 -8.021
240 HZ3 LYS 27 HZ3 LYS 27 27.140 -16.007 -8.341
241 H TYR 28 HN TYR 28 26.012 -19.025 -0.663
242 HA TYR 28 HA TYR 28 27.162 -21.733 -0.295
243 HB2 TYR 28 HB2 TYR 28 28.673 -20.721 1.029
244 HB3 TYR 28 HB1 TYR 28 27.756 -19.219 1.070
245 HD1 TYR 28 HD2 TYR 28 27.532 -22.740 2.347
246 HD2 TYR 28 HD1 TYR 28 26.786 -18.578 3.092
247 HE1 TYR 28 HE2 TYR 28 26.731 -23.291 4.630
248 HE2 TYR 28 HE1 TYR 28 25.980 -19.126 5.371
249 HH TYR 28 HH TYR 28 26.326 -20.989 7.040
250 H LEU 29 HN LEU 29 24.793 -19.365 0.883
251 HA LEU 29 HA LEU 29 23.398 -21.489 2.345
252 HB2 LEU 29 HB2 LEU 29 23.869 -18.969 3.097
253 HB3 LEU 29 HB1 LEU 29 22.348 -18.700 2.250
254 HG LEU 29 HG LEU 29 22.788 -20.744 4.448
255 HD11 LEU 29 HD11 LEU 29 21.464 -18.022 4.435
256 HD12 LEU 29 HD12 LEU 29 22.856 -18.529 5.393
257 HD13 LEU 29 HD13 LEU 29 21.260 -19.202 5.731
258 HD21 LEU 29 HD21 LEU 29 21.008 -21.631 3.255
259 HD22 LEU 29 HD22 LEU 29 20.499 -20.060 2.640
260 HD23 LEU 29 HD23 LEU 29 20.139 -20.513 4.305
261 H GLN 30 HN GLN 30 22.940 -19.272 -0.365
262 HA GLN 30 HA GLN 30 20.244 -20.211 -0.874
263 HB2 GLN 30 HB2 GLN 30 20.774 -17.901 -1.404
264 HB3 GLN 30 HB1 GLN 30 22.077 -18.413 -2.476
265 HG2 GLN 30 HG2 GLN 30 20.632 -19.166 -4.113
266 HG3 GLN 30 HG1 GLN 30 19.340 -19.506 -2.966
267 HE21 GLN 30 HE21 GLN 30 20.791 -16.401 -2.503
268 HE22 GLN 30 HE22 GLN 30 19.586 -15.490 -3.274
269 H LYS 31 HN LYS 31 23.320 -21.389 -1.473
270 HA LYS 31 HA LYS 31 22.364 -22.999 -3.767
271 HB2 LYS 31 HB2 LYS 31 24.975 -21.663 -3.235
272 HB3 LYS 31 HB1 LYS 31 25.016 -23.237 -4.026
273 HG2 LYS 31 HG2 LYS 31 24.905 -21.410 -5.684
274 HG3 LYS 31 HG1 LYS 31 23.464 -22.424 -5.754
275 HD2 LYS 31 HD2 LYS 31 22.098 -20.776 -4.947
276 HD3 LYS 31 HD1 LYS 31 23.347 -20.108 -3.896
277 HE2 LYS 31 HE2 LYS 31 24.449 -19.060 -5.800
278 HE3 LYS 31 HE1 LYS 31 23.313 -19.819 -6.915
279 HZ1 LYS 31 HZ1 LYS 31 22.839 -17.442 -6.264
280 HZ2 LYS 31 HZ2 LYS 31 22.426 -18.035 -4.727
281 HZ3 LYS 31 HZ3 LYS 31 21.553 -18.535 -6.095
282 H LYS 32 HN LYS 32 21.483 -24.296 -1.886
283 HA LYS 32 HA LYS 32 23.342 -26.451 -1.333
284 HB2 LYS 32 HB2 LYS 32 22.910 -26.394 1.122
285 HB3 LYS 32 HB1 LYS 32 23.836 -25.006 0.550
286 HG2 LYS 32 HG2 LYS 32 22.282 -23.663 1.467
287 HG3 LYS 32 HG1 LYS 32 21.121 -24.277 0.289
288 HD2 LYS 32 HD2 LYS 32 20.617 -26.176 1.820
289 HD3 LYS 32 HD1 LYS 32 21.707 -25.470 3.014
290 HE2 LYS 32 HE2 LYS 32 20.061 -24.119 3.735
291 HE3 LYS 32 HE1 LYS 32 19.912 -23.426 2.121
292 HZ1 LYS 32 HZ1 LYS 32 18.615 -25.584 1.631
293 HZ2 LYS 32 HZ2 LYS 32 17.840 -24.327 2.472
294 HZ3 LYS 32 HZ3 LYS 32 18.436 -25.675 3.315
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 22.067 19.219 0.558
2 H2 LYS 1 HT2 LYS 1 23.334 18.338 -0.152
3 H3 LYS 1 HT3 LYS 1 23.608 19.230 1.267
4 HA LYS 1 HA LYS 1 23.339 17.254 2.272
5 HB2 LYS 1 HB2 LYS 1 20.441 17.874 1.622
6 HB3 LYS 1 HB1 LYS 1 21.032 16.929 2.991
7 HG2 LYS 1 HG2 LYS 1 22.437 19.115 3.487
8 HG3 LYS 1 HG1 LYS 1 21.172 19.887 2.530
9 HD2 LYS 1 HD2 LYS 1 20.725 18.147 4.974
10 HD3 LYS 1 HD1 LYS 1 20.582 19.905 4.922
11 HE2 LYS 1 HE2 LYS 1 18.883 17.891 3.424
12 HE3 LYS 1 HE1 LYS 1 18.358 18.982 4.707
13 HZ1 LYS 1 HZ1 LYS 1 19.021 19.579 1.914
14 HZ2 LYS 1 HZ2 LYS 1 19.291 20.776 3.087
15 HZ3 LYS 1 HZ3 LYS 1 17.732 20.143 2.860
16 H LYS 2 HN LYS 2 24.270 15.725 0.897
17 HA LYS 2 HA LYS 2 22.676 14.501 -1.207
18 HB2 LYS 2 HB2 LYS 2 25.066 14.867 -1.583
19 HB3 LYS 2 HB1 LYS 2 25.454 13.868 -0.184
20 HG2 LYS 2 HG2 LYS 2 23.652 12.578 -2.135
21 HG3 LYS 2 HG1 LYS 2 25.257 12.933 -2.767
22 HD2 LYS 2 HD2 LYS 2 24.984 11.620 -0.071
23 HD3 LYS 2 HD1 LYS 2 24.821 10.655 -1.534
24 HE2 LYS 2 HE2 LYS 2 27.196 10.995 -0.418
25 HE3 LYS 2 HE1 LYS 2 27.026 10.982 -2.173
26 HZ1 LYS 2 HZ1 LYS 2 27.176 13.364 -0.410
27 HZ2 LYS 2 HZ2 LYS 2 26.828 13.432 -2.070
28 HZ3 LYS 2 HZ3 LYS 2 28.334 12.857 -1.538
29 H HIS 3 HN HIS 3 21.325 12.876 -0.845
30 HA HIS 3 HA HIS 3 20.164 11.265 0.355
31 HB2 HIS 3 HB2 HIS 3 22.026 10.094 -0.918
32 HB3 HIS 3 HB1 HIS 3 22.918 10.051 0.604
33 HD2 HIS 3 HD2 HIS 3 22.497 7.158 0.581
34 HE1 HIS 3 HE1 HIS 3 18.400 7.455 1.550
35 HE2 HIS 3 HE2 HIS 3 20.367 5.862 1.356
36 H THR 4 HN THR 4 22.181 9.675 2.252
37 HA THR 4 HA THR 4 21.765 11.421 4.605
38 HB THR 4 HB THR 4 20.139 9.688 4.809
39 HG1 THR 4 HG1 THR 4 20.747 9.196 6.751
40 HG21 THR 4 HG21 THR 4 20.420 7.801 3.625
41 HG22 THR 4 HG22 THR 4 21.595 7.277 4.830
42 HG23 THR 4 HG23 THR 4 22.133 8.145 3.392
43 H ILE 5 HN ILE 5 23.056 8.384 5.284
44 HA ILE 5 HA ILE 5 25.814 9.454 5.268
45 HB ILE 5 HB ILE 5 26.090 7.835 7.260
46 HG12 ILE 5 HG12 ILE 5 23.273 8.318 7.960
47 HG13 ILE 5 HG11 ILE 5 23.486 7.184 6.626
48 HG21 ILE 5 HG21 ILE 5 25.083 9.594 8.810
49 HG22 ILE 5 HG22 ILE 5 24.508 10.410 7.357
50 HG23 ILE 5 HG23 ILE 5 26.239 10.193 7.620
51 HD11 ILE 5 HD11 ILE 5 23.502 6.167 8.970
52 HD12 ILE 5 HD12 ILE 5 25.059 6.964 9.195
53 HD13 ILE 5 HD13 ILE 5 24.865 5.747 7.933
54 H TRP 6 HN TRP 6 23.667 6.839 4.521
55 HA TRP 6 HA TRP 6 25.230 4.623 4.287
56 HB2 TRP 6 HB2 TRP 6 22.866 5.632 2.968
57 HB3 TRP 6 HB1 TRP 6 23.873 4.738 1.829
58 HD1 TRP 6 HD1 TRP 6 22.733 2.450 1.707
59 HE1 TRP 6 HE1 TRP 6 22.098 0.633 3.415
60 HE3 TRP 6 HE3 TRP 6 23.729 4.941 6.042
61 HZ2 TRP 6 HZ2 TRP 6 22.023 0.284 6.247
62 HZ3 TRP 6 HZ3 TRP 6 23.368 3.846 8.237
63 HH2 TRP 6 HH2 TRP 6 22.517 1.519 8.345
64 H GLU 7 HN GLU 7 24.838 6.894 1.557
65 HA GLU 7 HA GLU 7 26.854 5.924 -0.054
66 HB2 GLU 7 HB2 GLU 7 25.362 8.413 0.194
67 HB3 GLU 7 HB1 GLU 7 26.987 8.661 -0.444
68 HG2 GLU 7 HG2 GLU 7 25.112 6.537 -1.505
69 HG3 GLU 7 HG1 GLU 7 25.198 8.162 -2.184
70 H VAL 8 HN VAL 8 27.214 7.348 3.003
71 HA VAL 8 HA VAL 8 29.986 8.164 2.466
72 HB VAL 8 HB VAL 8 28.567 8.518 5.094
73 HG11 VAL 8 HG11 VAL 8 30.451 10.490 3.918
74 HG12 VAL 8 HG12 VAL 8 31.141 8.940 4.400
75 HG13 VAL 8 HG13 VAL 8 30.296 9.936 5.585
76 HG21 VAL 8 HG21 VAL 8 27.114 9.466 3.328
77 HG22 VAL 8 HG22 VAL 8 28.488 10.356 2.678
78 HG23 VAL 8 HG23 VAL 8 27.862 10.746 4.279
79 H ILE 9 HN ILE 9 28.080 5.935 4.454
80 HA ILE 9 HA ILE 9 30.585 4.610 5.271
81 HB ILE 9 HB ILE 9 29.609 5.218 7.266
82 HG12 ILE 9 HG12 ILE 9 29.592 2.545 6.791
83 HG13 ILE 9 HG11 ILE 9 29.147 3.262 8.325
84 HG21 ILE 9 HG21 ILE 9 27.101 5.106 7.637
85 HG22 ILE 9 HG22 ILE 9 26.955 4.823 5.898
86 HG23 ILE 9 HG23 ILE 9 27.676 6.315 6.496
87 HD11 ILE 9 HD11 ILE 9 26.822 3.077 7.885
88 HD12 ILE 9 HD12 ILE 9 27.510 1.542 7.360
89 HD13 ILE 9 HD13 ILE 9 27.084 2.767 6.173
90 H ALA 10 HN ALA 10 27.248 4.039 4.202
91 HA ALA 10 HA ALA 10 27.601 1.227 3.829
92 HB1 ALA 10 HB1 ALA 10 25.475 1.325 2.640
93 HB2 ALA 10 HB2 ALA 10 25.583 3.082 2.545
94 HB3 ALA 10 HB3 ALA 10 25.382 2.293 4.110
95 H GLY 11 HN GLY 11 27.049 3.739 1.341
96 HA2 GLY 11 HA2 GLY 11 27.857 2.261 -0.859
97 HA3 GLY 11 HA1 GLY 11 28.009 4.016 -0.744
98 H LEU 12 HN LEU 12 29.666 3.325 1.792
99 HA LEU 12 HA LEU 12 32.212 3.113 0.353
100 HB2 LEU 12 HB2 LEU 12 31.697 5.075 1.914
101 HB3 LEU 12 HB1 LEU 12 31.850 3.918 3.236
102 HG LEU 12 HG LEU 12 34.106 3.306 1.947
103 HD11 LEU 12 HD11 LEU 12 33.408 5.126 0.211
104 HD12 LEU 12 HD12 LEU 12 35.082 5.082 0.763
105 HD13 LEU 12 HD13 LEU 12 33.965 6.270 1.433
106 HD21 LEU 12 HD21 LEU 12 34.041 4.021 4.263
107 HD22 LEU 12 HD22 LEU 12 33.664 5.676 3.787
108 HD23 LEU 12 HD23 LEU 12 35.250 4.995 3.426
109 H VAL 13 HN VAL 13 30.180 1.540 2.705
110 HA VAL 13 HA VAL 13 32.264 -0.528 3.113
111 HB VAL 13 HB VAL 13 29.962 0.210 4.937
112 HG11 VAL 13 HG11 VAL 13 30.250 -1.884 5.723
113 HG12 VAL 13 HG12 VAL 13 31.835 -1.359 6.289
114 HG13 VAL 13 HG13 VAL 13 31.674 -2.138 4.714
115 HG21 VAL 13 HG21 VAL 13 31.521 1.302 6.299
116 HG22 VAL 13 HG22 VAL 13 32.111 1.719 4.691
117 HG23 VAL 13 HG23 VAL 13 32.885 0.427 5.607
118 H ALA 14 HN ALA 14 28.709 -0.140 3.069
119 HA ALA 14 HA ALA 14 27.914 -2.737 2.808
120 HB1 ALA 14 HB1 ALA 14 26.838 -0.386 1.230
121 HB2 ALA 14 HB2 ALA 14 26.336 -0.856 2.854
122 HB3 ALA 14 HB3 ALA 14 26.001 -1.917 1.485
123 H LEU 15 HN LEU 15 29.187 -0.653 0.233
124 HA LEU 15 HA LEU 15 28.891 -2.585 -1.837
125 HB2 LEU 15 HB2 LEU 15 29.171 -0.135 -2.242
126 HB3 LEU 15 HB1 LEU 15 30.838 -0.267 -1.686
127 HG LEU 15 HG LEU 15 31.288 -1.927 -3.484
128 HD11 LEU 15 HD11 LEU 15 29.328 -2.978 -4.104
129 HD12 LEU 15 HD12 LEU 15 29.384 -1.735 -5.355
130 HD13 LEU 15 HD13 LEU 15 28.363 -1.512 -3.936
131 HD21 LEU 15 HD21 LEU 15 31.612 0.567 -3.778
132 HD22 LEU 15 HD22 LEU 15 30.049 0.605 -4.593
133 HD23 LEU 15 HD23 LEU 15 31.380 -0.325 -5.281
134 H LEU 16 HN LEU 16 31.371 -1.848 0.519
135 HA LEU 16 HA LEU 16 33.238 -3.765 -0.640
136 HB2 LEU 16 HB2 LEU 16 33.555 -2.265 1.956
137 HB3 LEU 16 HB1 LEU 16 34.818 -2.961 0.938
138 HG LEU 16 HG LEU 16 33.027 -0.618 0.240
139 HD11 LEU 16 HD11 LEU 16 35.014 -0.300 1.828
140 HD12 LEU 16 HD12 LEU 16 35.000 0.712 0.383
141 HD13 LEU 16 HD13 LEU 16 36.041 -0.710 0.453
142 HD21 LEU 16 HD21 LEU 16 34.968 -2.267 -1.371
143 HD22 LEU 16 HD22 LEU 16 34.679 -0.575 -1.775
144 HD23 LEU 16 HD23 LEU 16 33.346 -1.729 -1.811
145 H THR 17 HN THR 17 30.559 -3.922 1.263
146 HA THR 17 HA THR 17 31.553 -6.275 2.753
147 HB THR 17 HB THR 17 29.658 -4.095 3.502
148 HG1 THR 17 HG1 THR 17 30.809 -4.280 5.404
149 HG21 THR 17 HG21 THR 17 29.452 -6.991 4.318
150 HG22 THR 17 HG22 THR 17 28.163 -5.904 3.797
151 HG23 THR 17 HG23 THR 17 28.906 -5.695 5.383
152 H PHE 18 HN PHE 18 28.436 -4.952 1.618
153 HA PHE 18 HA PHE 18 26.956 -7.230 1.458
154 HB2 PHE 18 HB2 PHE 18 26.391 -4.779 0.756
155 HB3 PHE 18 HB1 PHE 18 26.876 -5.315 -0.852
156 HD1 PHE 18 HD2 PHE 18 24.498 -5.880 1.932
157 HD2 PHE 18 HD1 PHE 18 25.538 -6.871 -2.115
158 HE1 PHE 18 HE2 PHE 18 22.295 -6.979 1.636
159 HE2 PHE 18 HE1 PHE 18 23.336 -7.970 -2.411
160 HZ PHE 18 HZ PHE 18 21.714 -8.024 -0.537
161 H LEU 19 HN LEU 19 29.299 -6.092 -0.957
162 HA LEU 19 HA LEU 19 28.840 -8.269 -2.762
163 HB2 LEU 19 HB2 LEU 19 30.942 -6.131 -2.517
164 HB3 LEU 19 HB1 LEU 19 31.121 -7.432 -3.690
165 HG LEU 19 HG LEU 19 29.997 -5.355 -4.597
166 HD11 LEU 19 HD11 LEU 19 28.943 -6.696 -6.075
167 HD12 LEU 19 HD12 LEU 19 27.802 -7.253 -4.852
168 HD13 LEU 19 HD13 LEU 19 29.363 -8.052 -5.029
169 HD21 LEU 19 HD21 LEU 19 27.812 -4.755 -3.864
170 HD22 LEU 19 HD22 LEU 19 28.749 -4.987 -2.387
171 HD23 LEU 19 HD23 LEU 19 27.635 -6.241 -2.933
172 H ALA 20 HN ALA 20 30.729 -7.859 0.093
173 HA ALA 20 HA ALA 20 32.526 -10.066 -0.524
174 HB1 ALA 20 HB1 ALA 20 33.822 -9.050 0.992
175 HB2 ALA 20 HB2 ALA 20 32.602 -9.324 2.237
176 HB3 ALA 20 HB3 ALA 20 32.552 -7.855 1.261
177 H PHE 21 HN PHE 21 29.935 -9.353 1.804
178 HA PHE 21 HA PHE 21 29.895 -12.072 2.785
179 HB2 PHE 21 HB2 PHE 21 28.166 -9.651 3.309
180 HB3 PHE 21 HB1 PHE 21 27.865 -11.225 4.047
181 HD1 PHE 21 HD1 PHE 21 30.674 -8.801 3.481
182 HD2 PHE 21 HD2 PHE 21 28.897 -11.718 6.086
183 HE1 PHE 21 HE1 PHE 21 32.406 -8.330 5.190
184 HE2 PHE 21 HE2 PHE 21 30.628 -11.246 7.795
185 HZ PHE 21 HZ PHE 21 32.383 -9.553 7.346
186 H GLY 22 HN GLY 22 27.945 -10.046 0.646
187 HA2 GLY 22 HA2 GLY 22 25.769 -11.792 0.283
188 HA3 GLY 22 HA1 GLY 22 26.289 -10.566 -0.865
189 H PHE 23 HN PHE 23 28.700 -11.353 -1.712
190 HA PHE 23 HA PHE 23 28.268 -13.205 -3.675
191 HB2 PHE 23 HB2 PHE 23 30.262 -12.132 -4.005
192 HB3 PHE 23 HB1 PHE 23 30.693 -12.182 -2.296
193 HD1 PHE 23 HD1 PHE 23 30.619 -14.096 -5.455
194 HD2 PHE 23 HD2 PHE 23 31.811 -14.098 -1.328
195 HE1 PHE 23 HE1 PHE 23 32.015 -16.103 -5.859
196 HE2 PHE 23 HE2 PHE 23 33.208 -16.105 -1.733
197 HZ PHE 23 HZ PHE 23 33.312 -17.109 -3.998
198 H TRP 24 HN TRP 24 29.178 -13.786 -0.332
199 HA TRP 24 HA TRP 24 29.501 -16.646 -0.781
200 HB2 TRP 24 HB2 TRP 24 31.061 -15.746 0.755
201 HB3 TRP 24 HB1 TRP 24 29.809 -14.858 1.622
202 HD1 TRP 24 HD1 TRP 24 30.415 -18.566 0.694
203 HE1 TRP 24 HE1 TRP 24 29.836 -20.011 2.751
204 HE3 TRP 24 HE3 TRP 24 28.974 -14.919 3.940
205 HZ2 TRP 24 HZ2 TRP 24 28.886 -19.659 5.422
206 HZ3 TRP 24 HZ3 TRP 24 28.233 -15.493 6.239
207 HH2 TRP 24 HH2 TRP 24 28.187 -17.858 6.980
208 H LEU 25 HN LEU 25 27.667 -14.778 1.624
209 HA LEU 25 HA LEU 25 25.964 -16.397 2.751
210 HB2 LEU 25 HB2 LEU 25 25.510 -13.730 1.554
211 HB3 LEU 25 HB1 LEU 25 24.073 -14.624 2.053
212 HG LEU 25 HG LEU 25 26.453 -14.399 3.879
213 HD11 LEU 25 HD11 LEU 25 25.841 -12.100 3.223
214 HD12 LEU 25 HD12 LEU 25 25.403 -12.415 4.901
215 HD13 LEU 25 HD13 LEU 25 24.160 -12.427 3.649
216 HD21 LEU 25 HD21 LEU 25 24.114 -15.822 4.049
217 HD22 LEU 25 HD22 LEU 25 23.680 -14.336 4.894
218 HD23 LEU 25 HD23 LEU 25 25.055 -15.292 5.443
219 H PHE 26 HN PHE 26 25.201 -15.247 -0.546
220 HA PHE 26 HA PHE 26 23.014 -17.052 -0.835
221 HB2 PHE 26 HB2 PHE 26 24.492 -15.788 -3.127
222 HB3 PHE 26 HB1 PHE 26 22.777 -16.175 -3.002
223 HD1 PHE 26 HD2 PHE 26 21.754 -15.092 -0.647
224 HD2 PHE 26 HD1 PHE 26 24.925 -13.500 -3.068
225 HE1 PHE 26 HE2 PHE 26 21.298 -12.826 0.246
226 HE2 PHE 26 HE1 PHE 26 24.467 -11.233 -2.175
227 HZ PHE 26 HZ PHE 26 22.656 -10.898 -0.517
228 H LYS 27 HN LYS 27 26.062 -16.954 -2.698
229 HA LYS 27 HA LYS 27 25.801 -19.421 -3.923
230 HB2 LYS 27 HB2 LYS 27 28.242 -17.841 -3.149
231 HB3 LYS 27 HB1 LYS 27 28.343 -19.342 -4.071
232 HG2 LYS 27 HG2 LYS 27 27.162 -18.454 -5.895
233 HG3 LYS 27 HG1 LYS 27 26.463 -17.157 -4.929
234 HD2 LYS 27 HD2 LYS 27 28.317 -15.828 -5.122
235 HD3 LYS 27 HD1 LYS 27 29.429 -17.200 -5.114
236 HE2 LYS 27 HE2 LYS 27 29.103 -15.865 -7.335
237 HE3 LYS 27 HE1 LYS 27 29.114 -17.628 -7.401
238 HZ1 LYS 27 HZ1 LYS 27 26.519 -16.529 -6.847
239 HZ2 LYS 27 HZ2 LYS 27 26.986 -17.683 -8.005
240 HZ3 LYS 27 HZ3 LYS 27 27.138 -16.025 -8.343
241 H TYR 28 HN TYR 28 25.946 -19.019 -0.651
242 HA TYR 28 HA TYR 28 27.099 -21.722 -0.273
243 HB2 TYR 28 HB2 TYR 28 28.606 -20.717 1.060
244 HB3 TYR 28 HB1 TYR 28 27.698 -19.209 1.093
245 HD1 TYR 28 HD2 TYR 28 27.439 -22.726 2.375
246 HD2 TYR 28 HD1 TYR 28 26.728 -18.556 3.109
247 HE1 TYR 28 HE2 TYR 28 26.627 -23.266 4.657
248 HE2 TYR 28 HE1 TYR 28 25.912 -19.092 5.388
249 HH TYR 28 HH TYR 28 25.975 -20.773 7.011
250 H LEU 29 HN LEU 29 24.744 -19.342 0.914
251 HA LEU 29 HA LEU 29 23.327 -21.456 2.368
252 HB2 LEU 29 HB2 LEU 29 23.801 -18.930 3.105
253 HB3 LEU 29 HB1 LEU 29 22.282 -18.668 2.252
254 HG LEU 29 HG LEU 29 22.721 -20.690 4.470
255 HD11 LEU 29 HD11 LEU 29 22.756 -18.469 5.398
256 HD12 LEU 29 HD12 LEU 29 21.155 -19.142 5.713
257 HD13 LEU 29 HD13 LEU 29 21.381 -17.976 4.409
258 HD21 LEU 29 HD21 LEU 29 20.076 -20.500 4.308
259 HD22 LEU 29 HD22 LEU 29 20.962 -21.603 3.257
260 HD23 LEU 29 HD23 LEU 29 20.432 -20.036 2.646
261 H GLN 30 HN GLN 30 22.884 -19.230 -0.341
262 HA GLN 30 HA GLN 30 20.193 -20.159 -0.870
263 HB2 GLN 30 HB2 GLN 30 20.752 -17.855 -1.405
264 HB3 GLN 30 HB1 GLN 30 22.056 -18.388 -2.468
265 HG2 GLN 30 HG2 GLN 30 20.615 -19.125 -4.112
266 HG3 GLN 30 HG1 GLN 30 19.312 -19.453 -2.973
267 HE21 GLN 30 HE21 GLN 30 20.800 -16.362 -2.513
268 HE22 GLN 30 HE22 GLN 30 19.605 -15.438 -3.287
269 H LYS 31 HN LYS 31 23.275 -21.341 -1.451
270 HA LYS 31 HA LYS 31 22.328 -22.973 -3.732
271 HB2 LYS 31 HB2 LYS 31 24.940 -21.643 -3.185
272 HB3 LYS 31 HB1 LYS 31 24.979 -23.221 -3.971
273 HG2 LYS 31 HG2 LYS 31 24.888 -21.385 -5.629
274 HG3 LYS 31 HG1 LYS 31 23.454 -22.409 -5.718
275 HD2 LYS 31 HD2 LYS 31 22.067 -20.773 -4.917
276 HD3 LYS 31 HD1 LYS 31 23.307 -20.087 -3.866
277 HE2 LYS 31 HE2 LYS 31 24.287 -18.857 -5.618
278 HE3 LYS 31 HE1 LYS 31 23.546 -19.864 -6.861
279 HZ1 LYS 31 HZ1 LYS 31 22.169 -17.929 -5.083
280 HZ2 LYS 31 HZ2 LYS 31 21.367 -18.996 -6.136
281 HZ3 LYS 31 HZ3 LYS 31 22.391 -17.792 -6.759
282 H LYS 32 HN LYS 32 21.430 -24.228 -1.815
283 HA LYS 32 HA LYS 32 23.274 -26.391 -1.229
284 HB2 LYS 32 HB2 LYS 32 22.849 -26.304 1.213
285 HB3 LYS 32 HB1 LYS 32 23.734 -24.891 0.635
286 HG2 LYS 32 HG2 LYS 32 22.141 -23.630 1.614
287 HG3 LYS 32 HG1 LYS 32 21.046 -24.182 0.347
288 HD2 LYS 32 HD2 LYS 32 20.405 -26.117 1.731
289 HD3 LYS 32 HD1 LYS 32 21.505 -25.577 3.000
290 HE2 LYS 32 HE2 LYS 32 19.793 -23.394 2.220
291 HE3 LYS 32 HE1 LYS 32 18.809 -24.801 2.621
292 HZ1 LYS 32 HZ1 LYS 32 20.988 -24.386 4.441
293 HZ2 LYS 32 HZ2 LYS 32 19.340 -24.644 4.762
294 HZ3 LYS 32 HZ3 LYS 32 19.905 -23.082 4.408
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 21.692 15.846 -5.635
2 H2 LYS 1 HT2 LYS 1 21.824 14.209 -5.199
3 H3 LYS 1 HT3 LYS 1 23.179 15.227 -5.106
4 HA LYS 1 HA LYS 1 22.091 16.535 -3.376
5 HB2 LYS 1 HB2 LYS 1 20.062 15.257 -2.337
6 HB3 LYS 1 HB1 LYS 1 19.790 16.280 -3.745
7 HG2 LYS 1 HG2 LYS 1 20.534 13.420 -4.212
8 HG3 LYS 1 HG1 LYS 1 18.897 13.766 -3.662
9 HD2 LYS 1 HD2 LYS 1 19.943 15.445 -5.896
10 HD3 LYS 1 HD1 LYS 1 19.565 13.765 -6.267
11 HE2 LYS 1 HE2 LYS 1 17.604 15.229 -6.635
12 HE3 LYS 1 HE1 LYS 1 17.300 14.055 -5.356
13 HZ1 LYS 1 HZ1 LYS 1 16.620 16.381 -4.836
14 HZ2 LYS 1 HZ2 LYS 1 18.264 16.809 -4.843
15 HZ3 LYS 1 HZ3 LYS 1 17.681 15.688 -3.708
16 H LYS 2 HN LYS 2 22.927 13.319 -4.132
17 HA LYS 2 HA LYS 2 24.065 11.683 -2.995
18 HB2 LYS 2 HB2 LYS 2 25.022 14.193 -1.999
19 HB3 LYS 2 HB1 LYS 2 24.956 13.040 -0.666
20 HG2 LYS 2 HG2 LYS 2 26.242 12.471 -3.354
21 HG3 LYS 2 HG1 LYS 2 27.128 12.972 -1.912
22 HD2 LYS 2 HD2 LYS 2 25.379 10.787 -1.239
23 HD3 LYS 2 HD1 LYS 2 26.366 10.339 -2.631
24 HE2 LYS 2 HE2 LYS 2 27.421 11.477 -0.026
25 HE3 LYS 2 HE1 LYS 2 27.511 9.784 -0.513
26 HZ1 LYS 2 HZ1 LYS 2 28.509 11.561 -2.520
27 HZ2 LYS 2 HZ2 LYS 2 29.240 10.195 -1.824
28 HZ3 LYS 2 HZ3 LYS 2 29.360 11.709 -1.060
29 H HIS 3 HN HIS 3 23.160 10.080 -1.895
30 HA HIS 3 HA HIS 3 20.840 10.262 -0.387
31 HB2 HIS 3 HB2 HIS 3 21.925 8.175 -1.363
32 HB3 HIS 3 HB1 HIS 3 22.961 8.162 0.064
33 HD2 HIS 3 HD2 HIS 3 21.590 5.826 1.048
34 HE1 HIS 3 HE1 HIS 3 17.951 7.826 1.803
35 HE2 HIS 3 HE2 HIS 3 19.240 5.672 2.175
36 H THR 4 HN THR 4 20.949 9.189 2.009
37 HA THR 4 HA THR 4 21.680 11.237 3.745
38 HB THR 4 HB THR 4 20.096 9.642 4.517
39 HG1 THR 4 HG1 THR 4 21.014 9.066 6.458
40 HG21 THR 4 HG21 THR 4 21.475 7.251 4.946
41 HG22 THR 4 HG22 THR 4 21.976 7.763 3.334
42 HG23 THR 4 HG23 THR 4 20.264 7.550 3.700
43 H ILE 5 HN ILE 5 23.046 8.414 4.986
44 HA ILE 5 HA ILE 5 25.774 9.486 4.588
45 HB ILE 5 HB ILE 5 26.215 8.123 6.740
46 HG12 ILE 5 HG12 ILE 5 23.426 8.655 7.535
47 HG13 ILE 5 HG11 ILE 5 23.604 7.347 6.365
48 HG21 ILE 5 HG21 ILE 5 24.508 10.630 6.739
49 HG22 ILE 5 HG22 ILE 5 26.269 10.561 6.675
50 HG23 ILE 5 HG23 ILE 5 25.421 10.040 8.130
51 HD11 ILE 5 HD11 ILE 5 25.139 6.174 7.787
52 HD12 ILE 5 HD12 ILE 5 23.761 6.631 8.789
53 HD13 ILE 5 HD13 ILE 5 25.266 7.548 8.882
54 H TRP 6 HN TRP 6 23.663 6.744 4.339
55 HA TRP 6 HA TRP 6 25.270 4.552 4.269
56 HB2 TRP 6 HB2 TRP 6 22.796 5.341 2.999
57 HB3 TRP 6 HB1 TRP 6 23.750 4.333 1.912
58 HD1 TRP 6 HD1 TRP 6 22.667 2.029 2.147
59 HE1 TRP 6 HE1 TRP 6 22.195 0.422 4.101
60 HE3 TRP 6 HE3 TRP 6 23.876 5.051 6.071
61 HZ2 TRP 6 HZ2 TRP 6 22.316 0.422 6.953
62 HZ3 TRP 6 HZ3 TRP 6 23.690 4.226 8.401
63 HH2 TRP 6 HH2 TRP 6 22.912 1.913 8.848
64 H GLU 7 HN GLU 7 24.590 6.346 1.261
65 HA GLU 7 HA GLU 7 26.545 5.276 -0.330
66 HB2 GLU 7 HB2 GLU 7 25.378 8.041 -0.207
67 HB3 GLU 7 HB1 GLU 7 26.583 7.613 -1.421
68 HG2 GLU 7 HG2 GLU 7 25.145 5.718 -2.145
69 HG3 GLU 7 HG1 GLU 7 23.927 6.222 -0.975
70 H VAL 8 HN VAL 8 27.049 7.150 2.479
71 HA VAL 8 HA VAL 8 29.755 7.923 1.646
72 HB VAL 8 HB VAL 8 28.537 8.581 4.317
73 HG11 VAL 8 HG11 VAL 8 30.997 8.961 3.689
74 HG12 VAL 8 HG12 VAL 8 30.111 10.359 4.297
75 HG13 VAL 8 HG13 VAL 8 30.403 10.185 2.567
76 HG21 VAL 8 HG21 VAL 8 26.909 9.250 2.563
77 HG22 VAL 8 HG22 VAL 8 28.194 10.102 1.710
78 HG23 VAL 8 HG23 VAL 8 27.672 10.658 3.300
79 H ILE 9 HN ILE 9 28.066 5.929 4.036
80 HA ILE 9 HA ILE 9 30.661 4.767 4.820
81 HB ILE 9 HB ILE 9 29.822 5.598 6.794
82 HG12 ILE 9 HG12 ILE 9 29.826 2.887 6.660
83 HG13 ILE 9 HG11 ILE 9 29.474 3.785 8.121
84 HG21 ILE 9 HG21 ILE 9 27.349 5.502 7.363
85 HG22 ILE 9 HG22 ILE 9 27.085 5.008 5.689
86 HG23 ILE 9 HG23 ILE 9 27.816 6.571 6.047
87 HD11 ILE 9 HD11 ILE 9 27.131 3.516 7.876
88 HD12 ILE 9 HD12 ILE 9 27.812 1.937 7.494
89 HD13 ILE 9 HD13 ILE 9 27.278 3.000 6.201
90 H ALA 10 HN ALA 10 27.277 3.998 4.078
91 HA ALA 10 HA ALA 10 27.677 1.169 4.040
92 HB1 ALA 10 HB1 ALA 10 25.545 2.820 2.660
93 HB2 ALA 10 HB2 ALA 10 25.454 2.217 4.316
94 HB3 ALA 10 HB3 ALA 10 25.485 1.084 2.967
95 H GLY 11 HN GLY 11 26.933 3.341 1.297
96 HA2 GLY 11 HA2 GLY 11 27.644 1.607 -0.745
97 HA3 GLY 11 HA1 GLY 11 27.754 3.362 -0.864
98 H LEU 12 HN LEU 12 29.570 3.004 1.647
99 HA LEU 12 HA LEU 12 32.034 2.673 0.092
100 HB2 LEU 12 HB2 LEU 12 31.570 4.812 1.406
101 HB3 LEU 12 HB1 LEU 12 31.802 3.845 2.863
102 HG LEU 12 HG LEU 12 33.982 3.132 1.333
103 HD11 LEU 12 HD11 LEU 12 33.673 6.131 1.070
104 HD12 LEU 12 HD12 LEU 12 33.280 5.016 -0.237
105 HD13 LEU 12 HD13 LEU 12 34.930 5.109 0.374
106 HD21 LEU 12 HD21 LEU 12 33.721 5.358 3.381
107 HD22 LEU 12 HD22 LEU 12 35.243 4.606 2.901
108 HD23 LEU 12 HD23 LEU 12 34.010 3.652 3.727
109 H VAL 13 HN VAL 13 30.176 1.343 2.717
110 HA VAL 13 HA VAL 13 32.378 -0.542 3.328
111 HB VAL 13 HB VAL 13 30.014 0.305 5.016
112 HG11 VAL 13 HG11 VAL 13 31.410 -1.156 6.711
113 HG12 VAL 13 HG12 VAL 13 31.985 -1.945 5.242
114 HG13 VAL 13 HG13 VAL 13 30.262 -1.931 5.619
115 HG21 VAL 13 HG21 VAL 13 32.955 0.505 5.674
116 HG22 VAL 13 HG22 VAL 13 31.608 1.392 6.388
117 HG23 VAL 13 HG23 VAL 13 32.147 1.772 4.752
118 H ALA 14 HN ALA 14 28.815 -0.408 3.090
119 HA ALA 14 HA ALA 14 28.193 -3.067 3.140
120 HB1 ALA 14 HB1 ALA 14 26.366 -2.509 1.478
121 HB2 ALA 14 HB2 ALA 14 27.078 -0.900 1.349
122 HB3 ALA 14 HB3 ALA 14 26.432 -1.457 2.893
123 H LEU 15 HN LEU 15 29.257 -1.237 0.268
124 HA LEU 15 HA LEU 15 29.280 -3.425 -1.512
125 HB2 LEU 15 HB2 LEU 15 31.070 -0.982 -1.559
126 HB3 LEU 15 HB1 LEU 15 30.680 -2.026 -2.930
127 HG LEU 15 HG LEU 15 28.678 -0.401 -1.340
128 HD11 LEU 15 HD11 LEU 15 28.785 1.233 -2.950
129 HD12 LEU 15 HD12 LEU 15 29.180 0.085 -4.232
130 HD13 LEU 15 HD13 LEU 15 30.434 0.629 -3.116
131 HD21 LEU 15 HD21 LEU 15 27.408 -2.165 -2.156
132 HD22 LEU 15 HD22 LEU 15 28.461 -2.414 -3.549
133 HD23 LEU 15 HD23 LEU 15 27.332 -1.060 -3.529
134 H LEU 16 HN LEU 16 31.515 -2.284 0.889
135 HA LEU 16 HA LEU 16 33.556 -4.223 0.072
136 HB2 LEU 16 HB2 LEU 16 33.722 -2.280 2.369
137 HB3 LEU 16 HB1 LEU 16 35.046 -3.059 1.500
138 HG LEU 16 HG LEU 16 33.134 -0.982 0.397
139 HD11 LEU 16 HD11 LEU 16 36.144 -0.838 0.578
140 HD12 LEU 16 HD12 LEU 16 35.120 -0.326 1.920
141 HD13 LEU 16 HD13 LEU 16 34.995 0.482 0.358
142 HD21 LEU 16 HD21 LEU 16 35.186 -2.765 -0.902
143 HD22 LEU 16 HD22 LEU 16 34.799 -1.190 -1.594
144 HD23 LEU 16 HD23 LEU 16 33.539 -2.415 -1.426
145 H THR 17 HN THR 17 30.806 -4.420 1.705
146 HA THR 17 HA THR 17 31.826 -6.527 3.475
147 HB THR 17 HB THR 17 30.079 -4.218 4.340
148 HG1 THR 17 HG1 THR 17 32.554 -5.307 5.179
149 HG21 THR 17 HG21 THR 17 30.131 -5.576 6.558
150 HG22 THR 17 HG22 THR 17 30.482 -6.958 5.519
151 HG23 THR 17 HG23 THR 17 28.981 -6.054 5.309
152 H PHE 18 HN PHE 18 28.667 -4.944 3.066
153 HA PHE 18 HA PHE 18 27.057 -7.151 3.176
154 HB2 PHE 18 HB2 PHE 18 26.471 -4.629 2.846
155 HB3 PHE 18 HB1 PHE 18 26.480 -5.030 1.129
156 HD1 PHE 18 HD1 PHE 18 25.180 -6.397 4.373
157 HD2 PHE 18 HD2 PHE 18 24.483 -5.789 0.177
158 HE1 PHE 18 HE1 PHE 18 22.919 -7.392 4.604
159 HE2 PHE 18 HE2 PHE 18 22.224 -6.783 0.408
160 HZ PHE 18 HZ PHE 18 21.442 -7.585 2.621
161 H LEU 19 HN LEU 19 28.691 -5.872 0.289
162 HA LEU 19 HA LEU 19 27.696 -7.977 -1.417
163 HB2 LEU 19 HB2 LEU 19 29.654 -5.721 -1.727
164 HB3 LEU 19 HB1 LEU 19 29.575 -6.988 -2.947
165 HG LEU 19 HG LEU 19 28.107 -4.976 -3.414
166 HD11 LEU 19 HD11 LEU 19 26.811 -6.380 -4.611
167 HD12 LEU 19 HD12 LEU 19 26.046 -7.003 -3.150
168 HD13 LEU 19 HD13 LEU 19 27.547 -7.719 -3.732
169 HD21 LEU 19 HD21 LEU 19 26.201 -4.542 -2.075
170 HD22 LEU 19 HD22 LEU 19 27.510 -4.783 -0.920
171 HD23 LEU 19 HD23 LEU 19 26.349 -6.076 -1.218
172 H ALA 20 HN ALA 20 30.881 -7.147 -0.047
173 HA ALA 20 HA ALA 20 32.456 -9.138 -1.025
174 HB1 ALA 20 HB1 ALA 20 32.967 -8.994 1.789
175 HB2 ALA 20 HB2 ALA 20 32.545 -7.386 1.203
176 HB3 ALA 20 HB3 ALA 20 33.881 -8.271 0.466
177 H PHE 21 HN PHE 21 30.472 -9.440 1.933
178 HA PHE 21 HA PHE 21 30.914 -12.301 2.025
179 HB2 PHE 21 HB2 PHE 21 29.241 -10.426 3.703
180 HB3 PHE 21 HB1 PHE 21 29.340 -12.164 3.988
181 HD1 PHE 21 HD2 PHE 21 31.439 -9.091 3.649
182 HD2 PHE 21 HD1 PHE 21 31.141 -13.086 5.200
183 HE1 PHE 21 HE2 PHE 21 33.568 -8.770 4.880
184 HE2 PHE 21 HE1 PHE 21 33.271 -12.767 6.430
185 HZ PHE 21 HZ PHE 21 34.484 -10.609 6.270
186 H GLY 22 HN GLY 22 28.284 -10.088 1.203
187 HA2 GLY 22 HA2 GLY 22 26.157 -11.856 0.982
188 HA3 GLY 22 HA1 GLY 22 26.359 -10.423 -0.021
189 H PHE 23 HN PHE 23 28.608 -11.034 -1.464
190 HA PHE 23 HA PHE 23 27.642 -12.536 -3.586
191 HB2 PHE 23 HB2 PHE 23 30.172 -11.318 -2.842
192 HB3 PHE 23 HB1 PHE 23 30.416 -12.832 -3.714
193 HD1 PHE 23 HD1 PHE 23 28.678 -13.157 -5.759
194 HD2 PHE 23 HD2 PHE 23 29.962 -9.390 -4.142
195 HE1 PHE 23 HE1 PHE 23 28.080 -12.038 -7.889
196 HE2 PHE 23 HE2 PHE 23 29.364 -8.271 -6.270
197 HZ PHE 23 HZ PHE 23 28.422 -9.595 -8.145
198 H TRP 24 HN TRP 24 28.881 -13.594 -0.586
199 HA TRP 24 HA TRP 24 29.304 -16.321 -1.613
200 HB2 TRP 24 HB2 TRP 24 31.212 -15.567 -0.383
201 HB3 TRP 24 HB1 TRP 24 30.198 -14.970 0.935
202 HD1 TRP 24 HD1 TRP 24 30.563 -18.350 -0.905
203 HE1 TRP 24 HE1 TRP 24 30.547 -20.234 0.860
204 HE3 TRP 24 HE3 TRP 24 30.052 -15.570 3.328
205 HZ2 TRP 24 HZ2 TRP 24 30.342 -20.514 3.696
206 HZ3 TRP 24 HZ3 TRP 24 29.947 -16.661 5.555
207 HH2 TRP 24 HH2 TRP 24 30.092 -19.130 5.742
208 H LEU 25 HN LEU 25 28.292 -15.040 1.532
209 HA LEU 25 HA LEU 25 26.864 -16.864 2.710
210 HB2 LEU 25 HB2 LEU 25 26.254 -13.998 2.292
211 HB3 LEU 25 HB1 LEU 25 24.948 -14.986 2.947
212 HG LEU 25 HG LEU 25 27.732 -15.177 4.080
213 HD11 LEU 25 HD11 LEU 25 27.117 -13.473 5.743
214 HD12 LEU 25 HD12 LEU 25 25.574 -13.219 4.928
215 HD13 LEU 25 HD13 LEU 25 27.080 -12.785 4.121
216 HD21 LEU 25 HD21 LEU 25 25.442 -16.610 4.544
217 HD22 LEU 25 HD22 LEU 25 25.313 -15.352 5.774
218 HD23 LEU 25 HD23 LEU 25 26.732 -16.397 5.728
219 H PHE 26 HN PHE 26 25.256 -15.008 0.108
220 HA PHE 26 HA PHE 26 23.045 -16.841 0.016
221 HB2 PHE 26 HB2 PHE 26 23.751 -14.900 -2.169
222 HB3 PHE 26 HB1 PHE 26 22.156 -15.435 -1.642
223 HD1 PHE 26 HD1 PHE 26 21.950 -15.097 1.122
224 HD2 PHE 26 HD2 PHE 26 24.180 -12.671 -1.634
225 HE1 PHE 26 HE1 PHE 26 21.821 -13.189 2.697
226 HE2 PHE 26 HE2 PHE 26 24.051 -10.763 -0.059
227 HZ PHE 26 HZ PHE 26 22.877 -11.024 2.108
228 H LYS 27 HN LYS 27 25.414 -15.967 -2.502
229 HA LYS 27 HA LYS 27 24.885 -17.954 -4.310
230 HB2 LYS 27 HB2 LYS 27 27.701 -17.064 -3.685
231 HB3 LYS 27 HB1 LYS 27 27.041 -17.570 -5.238
232 HG2 LYS 27 HG2 LYS 27 26.359 -15.043 -3.705
233 HG3 LYS 27 HG1 LYS 27 27.191 -15.157 -5.256
234 HD2 LYS 27 HD2 LYS 27 25.039 -16.390 -6.053
235 HD3 LYS 27 HD1 LYS 27 24.291 -15.666 -4.627
236 HE2 LYS 27 HE2 LYS 27 25.579 -13.501 -5.645
237 HE3 LYS 27 HE1 LYS 27 25.223 -14.380 -7.131
238 HZ1 LYS 27 HZ1 LYS 27 23.035 -14.034 -6.910
239 HZ2 LYS 27 HZ2 LYS 27 23.497 -12.759 -5.887
240 HZ3 LYS 27 HZ3 LYS 27 23.049 -14.260 -5.228
241 H TYR 28 HN TYR 28 25.988 -18.457 -1.150
242 HA TYR 28 HA TYR 28 27.012 -21.148 -1.855
243 HB2 TYR 28 HB2 TYR 28 28.796 -20.543 -0.637
244 HB3 TYR 28 HB1 TYR 28 27.977 -19.126 0.008
245 HD1 TYR 28 HD1 TYR 28 27.909 -22.862 0.296
246 HD2 TYR 28 HD2 TYR 28 27.432 -19.082 2.277
247 HE1 TYR 28 HE1 TYR 28 27.584 -24.035 2.460
248 HE2 TYR 28 HE2 TYR 28 27.108 -20.251 4.438
249 HH TYR 28 HH TYR 28 26.201 -22.975 4.933
250 H LEU 29 HN LEU 29 25.212 -19.397 0.684
251 HA LEU 29 HA LEU 29 24.081 -21.890 1.660
252 HB2 LEU 29 HB2 LEU 29 24.718 -19.606 2.933
253 HB3 LEU 29 HB1 LEU 29 23.016 -19.288 2.605
254 HG LEU 29 HG LEU 29 24.124 -21.746 3.994
255 HD11 LEU 29 HD11 LEU 29 22.768 -20.788 5.915
256 HD12 LEU 29 HD12 LEU 29 22.617 -19.308 4.968
257 HD13 LEU 29 HD13 LEU 29 24.208 -19.866 5.487
258 HD21 LEU 29 HD21 LEU 29 21.548 -21.968 4.456
259 HD22 LEU 29 HD22 LEU 29 22.196 -22.517 2.910
260 HD23 LEU 29 HD23 LEU 29 21.389 -20.953 3.022
261 H GLN 30 HN GLN 30 22.926 -18.953 0.030
262 HA GLN 30 HA GLN 30 20.202 -19.809 -0.096
263 HB2 GLN 30 HB2 GLN 30 20.777 -17.447 -0.211
264 HB3 GLN 30 HB1 GLN 30 21.701 -17.719 -1.687
265 HG2 GLN 30 HG2 GLN 30 19.844 -17.875 -2.993
266 HG3 GLN 30 HG1 GLN 30 18.908 -18.696 -1.744
267 HE21 GLN 30 HE21 GLN 30 20.527 -15.696 -0.889
268 HE22 GLN 30 HE22 GLN 30 19.126 -14.738 -0.842
269 H LYS 31 HN LYS 31 23.010 -20.612 -1.861
270 HA LYS 31 HA LYS 31 21.403 -21.671 -4.105
271 HB2 LYS 31 HB2 LYS 31 24.189 -20.638 -3.873
272 HB3 LYS 31 HB1 LYS 31 23.892 -21.943 -5.020
273 HG2 LYS 31 HG2 LYS 31 23.619 -19.703 -6.067
274 HG3 LYS 31 HG1 LYS 31 22.121 -20.635 -6.097
275 HD2 LYS 31 HD2 LYS 31 21.144 -19.358 -4.383
276 HD3 LYS 31 HD1 LYS 31 22.702 -18.756 -3.815
277 HE2 LYS 31 HE2 LYS 31 22.953 -17.453 -5.902
278 HE3 LYS 31 HE1 LYS 31 21.383 -18.040 -6.451
279 HZ1 LYS 31 HZ1 LYS 31 20.363 -17.013 -4.519
280 HZ2 LYS 31 HZ2 LYS 31 21.206 -15.856 -5.435
281 HZ3 LYS 31 HZ3 LYS 31 21.872 -16.451 -3.990
282 H LYS 32 HN LYS 32 24.054 -22.479 -1.877
283 HA LYS 32 HA LYS 32 24.896 -24.501 -1.177
284 HB2 LYS 32 HB2 LYS 32 22.033 -24.575 -0.984
285 HB3 LYS 32 HB1 LYS 32 22.627 -26.184 -1.397
286 HG2 LYS 32 HG2 LYS 32 24.261 -26.036 0.473
287 HG3 LYS 32 HG1 LYS 32 23.586 -24.468 0.915
288 HD2 LYS 32 HD2 LYS 32 22.040 -27.078 0.824
289 HD3 LYS 32 HD1 LYS 32 22.621 -26.289 2.290
290 HE2 LYS 32 HE2 LYS 32 20.468 -25.448 2.225
291 HE3 LYS 32 HE1 LYS 32 21.292 -24.215 1.274
292 HZ1 LYS 32 HZ1 LYS 32 19.223 -25.908 0.475
293 HZ2 LYS 32 HZ2 LYS 32 20.604 -26.337 -0.419
294 HZ3 LYS 32 HZ3 LYS 32 20.032 -24.738 -0.448
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 21.741 17.615 -2.788
2 H2 LYS 1 HT2 LYS 1 21.439 18.432 -1.330
3 H3 LYS 1 HT3 LYS 1 20.475 18.740 -2.695
4 HA LYS 1 HA LYS 1 20.061 16.853 -0.682
5 HB2 LYS 1 HB2 LYS 1 18.400 18.260 -1.969
6 HB3 LYS 1 HB1 LYS 1 18.625 17.163 -3.333
7 HG2 LYS 1 HG2 LYS 1 17.842 15.279 -2.025
8 HG3 LYS 1 HG1 LYS 1 17.778 16.266 -0.564
9 HD2 LYS 1 HD2 LYS 1 15.970 17.576 -1.409
10 HD3 LYS 1 HD1 LYS 1 16.178 16.940 -3.040
11 HE2 LYS 1 HE2 LYS 1 14.262 15.857 -1.957
12 HE3 LYS 1 HE1 LYS 1 15.551 14.682 -2.220
13 HZ1 LYS 1 HZ1 LYS 1 15.622 16.120 0.304
14 HZ2 LYS 1 HZ2 LYS 1 15.951 14.487 -0.029
15 HZ3 LYS 1 HZ3 LYS 1 14.345 15.019 0.117
16 H LYS 2 HN LYS 2 22.031 15.498 -1.026
17 HA LYS 2 HA LYS 2 21.943 13.693 -3.320
18 HB2 LYS 2 HB2 LYS 2 24.108 14.611 -2.487
19 HB3 LYS 2 HB1 LYS 2 23.861 13.732 -0.977
20 HG2 LYS 2 HG2 LYS 2 23.436 11.897 -3.119
21 HG3 LYS 2 HG1 LYS 2 24.945 12.753 -3.441
22 HD2 LYS 2 HD2 LYS 2 24.246 11.413 -0.810
23 HD3 LYS 2 HD1 LYS 2 25.299 10.721 -2.045
24 HE2 LYS 2 HE2 LYS 2 26.208 13.371 -1.559
25 HE3 LYS 2 HE1 LYS 2 25.968 12.606 0.012
26 HZ1 LYS 2 HZ1 LYS 2 27.497 11.419 -2.240
27 HZ2 LYS 2 HZ2 LYS 2 27.323 10.762 -0.683
28 HZ3 LYS 2 HZ3 LYS 2 28.190 12.205 -0.907
29 H HIS 3 HN HIS 3 22.489 13.042 0.139
30 HA HIS 3 HA HIS 3 20.220 11.283 0.337
31 HB2 HIS 3 HB2 HIS 3 21.959 9.937 -0.944
32 HB3 HIS 3 HB1 HIS 3 22.940 9.984 0.521
33 HD2 HIS 3 HD2 HIS 3 22.378 7.091 0.658
34 HE1 HIS 3 HE1 HIS 3 18.428 7.677 2.023
35 HE2 HIS 3 HE2 HIS 3 20.275 5.961 1.717
36 H THR 4 HN THR 4 22.321 9.788 2.233
37 HA THR 4 HA THR 4 22.134 11.749 4.440
38 HB THR 4 HB THR 4 20.428 10.128 4.881
39 HG1 THR 4 HG1 THR 4 22.341 10.564 6.461
40 HG21 THR 4 HG21 THR 4 20.563 8.104 3.917
41 HG22 THR 4 HG22 THR 4 21.811 7.670 5.083
42 HG23 THR 4 HG23 THR 4 22.263 8.364 3.526
43 H ILE 5 HN ILE 5 23.293 8.777 5.426
44 HA ILE 5 HA ILE 5 26.094 9.686 5.158
45 HB ILE 5 HB ILE 5 26.400 8.145 7.203
46 HG12 ILE 5 HG12 ILE 5 23.628 8.757 7.985
47 HG13 ILE 5 HG11 ILE 5 23.758 7.549 6.707
48 HG21 ILE 5 HG21 ILE 5 26.706 10.355 7.759
49 HG22 ILE 5 HG22 ILE 5 25.196 10.078 8.628
50 HG23 ILE 5 HG23 ILE 5 25.172 10.854 7.045
51 HD11 ILE 5 HD11 ILE 5 25.439 7.402 9.208
52 HD12 ILE 5 HD12 ILE 5 25.111 6.126 8.036
53 HD13 ILE 5 HD13 ILE 5 23.833 6.676 9.120
54 H TRP 6 HN TRP 6 23.818 7.161 4.560
55 HA TRP 6 HA TRP 6 25.284 4.864 4.383
56 HB2 TRP 6 HB2 TRP 6 22.893 5.899 3.150
57 HB3 TRP 6 HB1 TRP 6 23.811 4.945 1.984
58 HD1 TRP 6 HD1 TRP 6 22.615 2.685 1.988
59 HE1 TRP 6 HE1 TRP 6 22.013 0.937 3.776
60 HE3 TRP 6 HE3 TRP 6 23.875 5.275 6.195
61 HZ2 TRP 6 HZ2 TRP 6 22.060 0.673 6.619
62 HZ3 TRP 6 HZ3 TRP 6 23.587 4.255 8.435
63 HH2 TRP 6 HH2 TRP 6 22.682 1.956 8.653
64 H GLU 7 HN GLU 7 24.964 7.223 1.720
65 HA GLU 7 HA GLU 7 26.833 6.033 0.008
66 HB2 GLU 7 HB2 GLU 7 25.348 8.500 0.156
67 HB3 GLU 7 HB1 GLU 7 26.984 8.799 -0.430
68 HG2 GLU 7 HG2 GLU 7 25.157 6.648 -1.530
69 HG3 GLU 7 HG1 GLU 7 25.344 8.245 -2.253
70 H VAL 8 HN VAL 8 27.391 7.358 3.010
71 HA VAL 8 HA VAL 8 30.152 8.154 2.344
72 HB VAL 8 HB VAL 8 28.791 8.636 4.987
73 HG11 VAL 8 HG11 VAL 8 30.735 10.523 3.805
74 HG12 VAL 8 HG12 VAL 8 31.386 8.933 4.201
75 HG13 VAL 8 HG13 VAL 8 30.621 9.908 5.455
76 HG21 VAL 8 HG21 VAL 8 27.379 9.612 3.205
77 HG22 VAL 8 HG22 VAL 8 28.794 10.415 2.525
78 HG23 VAL 8 HG23 VAL 8 28.198 10.878 4.120
79 H ILE 9 HN ILE 9 28.218 6.044 4.418
80 HA ILE 9 HA ILE 9 30.687 4.648 5.220
81 HB ILE 9 HB ILE 9 29.799 5.338 7.225
82 HG12 ILE 9 HG12 ILE 9 29.623 2.658 6.817
83 HG13 ILE 9 HG11 ILE 9 29.261 3.435 8.344
84 HG21 ILE 9 HG21 ILE 9 27.909 6.521 6.479
85 HG22 ILE 9 HG22 ILE 9 27.300 5.372 7.663
86 HG23 ILE 9 HG23 ILE 9 27.092 5.057 5.937
87 HD11 ILE 9 HD11 ILE 9 26.920 3.368 7.971
88 HD12 ILE 9 HD12 ILE 9 27.507 1.787 7.463
89 HD13 ILE 9 HD13 ILE 9 27.116 3.006 6.260
90 H ALA 10 HN ALA 10 27.300 4.191 4.257
91 HA ALA 10 HA ALA 10 27.544 1.358 3.935
92 HB1 ALA 10 HB1 ALA 10 25.374 2.533 4.270
93 HB2 ALA 10 HB2 ALA 10 25.377 1.484 2.854
94 HB3 ALA 10 HB3 ALA 10 25.538 3.230 2.658
95 H GLY 11 HN GLY 11 27.000 3.855 1.430
96 HA2 GLY 11 HA2 GLY 11 27.679 2.314 -0.775
97 HA3 GLY 11 HA1 GLY 11 27.885 4.064 -0.694
98 H LEU 12 HN LEU 12 29.602 3.327 1.805
99 HA LEU 12 HA LEU 12 32.096 3.027 0.286
100 HB2 LEU 12 HB2 LEU 12 31.696 5.035 1.819
101 HB3 LEU 12 HB1 LEU 12 31.847 3.899 3.162
102 HG LEU 12 HG LEU 12 34.036 3.205 1.731
103 HD11 LEU 12 HD11 LEU 12 35.114 5.253 0.897
104 HD12 LEU 12 HD12 LEU 12 33.675 6.188 1.303
105 HD13 LEU 12 HD13 LEU 12 33.602 4.963 0.037
106 HD21 LEU 12 HD21 LEU 12 33.789 5.483 3.724
107 HD22 LEU 12 HD22 LEU 12 35.304 4.686 3.298
108 HD23 LEU 12 HD23 LEU 12 34.027 3.778 4.108
109 H VAL 13 HN VAL 13 30.090 1.551 2.720
110 HA VAL 13 HA VAL 13 32.136 -0.557 3.119
111 HB VAL 13 HB VAL 13 29.876 0.257 4.964
112 HG11 VAL 13 HG11 VAL 13 30.218 -2.079 5.245
113 HG12 VAL 13 HG12 VAL 13 31.178 -1.324 6.518
114 HG13 VAL 13 HG13 VAL 13 31.965 -1.925 5.059
115 HG21 VAL 13 HG21 VAL 13 32.078 1.692 4.661
116 HG22 VAL 13 HG22 VAL 13 32.809 0.394 5.606
117 HG23 VAL 13 HG23 VAL 13 31.478 1.332 6.281
118 H ALA 14 HN ALA 14 28.592 -0.085 3.083
119 HA ALA 14 HA ALA 14 27.730 -2.668 2.876
120 HB1 ALA 14 HB1 ALA 14 26.731 -0.255 1.348
121 HB2 ALA 14 HB2 ALA 14 26.144 -0.845 2.902
122 HB3 ALA 14 HB3 ALA 14 25.870 -1.791 1.439
123 H LEU 15 HN LEU 15 28.909 -0.635 0.198
124 HA LEU 15 HA LEU 15 28.614 -2.621 -1.801
125 HB2 LEU 15 HB2 LEU 15 28.911 -0.196 -2.284
126 HB3 LEU 15 HB1 LEU 15 30.575 -0.310 -1.717
127 HG LEU 15 HG LEU 15 31.045 -2.008 -3.468
128 HD11 LEU 15 HD11 LEU 15 29.137 -1.912 -5.341
129 HD12 LEU 15 HD12 LEU 15 28.112 -1.647 -3.930
130 HD13 LEU 15 HD13 LEU 15 29.095 -3.107 -4.044
131 HD21 LEU 15 HD21 LEU 15 29.810 0.570 -4.487
132 HD22 LEU 15 HD22 LEU 15 30.918 -0.455 -5.398
133 HD23 LEU 15 HD23 LEU 15 31.473 0.365 -3.939
134 H LEU 16 HN LEU 16 31.095 -1.899 0.548
135 HA LEU 16 HA LEU 16 32.925 -3.870 -0.600
136 HB2 LEU 16 HB2 LEU 16 33.336 -2.273 1.924
137 HB3 LEU 16 HB1 LEU 16 34.558 -3.025 0.897
138 HG LEU 16 HG LEU 16 32.784 -0.676 0.176
139 HD11 LEU 16 HD11 LEU 16 35.802 -0.813 0.239
140 HD12 LEU 16 HD12 LEU 16 34.865 -0.375 1.667
141 HD13 LEU 16 HD13 LEU 16 34.774 0.621 0.215
142 HD21 LEU 16 HD21 LEU 16 34.630 -2.417 -1.454
143 HD22 LEU 16 HD22 LEU 16 34.339 -0.738 -1.909
144 HD23 LEU 16 HD23 LEU 16 32.995 -1.878 -1.841
145 H THR 17 HN THR 17 30.258 -4.014 1.250
146 HA THR 17 HA THR 17 31.275 -6.293 2.837
147 HB THR 17 HB THR 17 29.437 -4.066 3.586
148 HG1 THR 17 HG1 THR 17 30.718 -4.051 5.329
149 HG21 THR 17 HG21 THR 17 27.931 -5.846 3.984
150 HG22 THR 17 HG22 THR 17 28.732 -5.605 5.536
151 HG23 THR 17 HG23 THR 17 29.224 -6.935 4.488
152 H PHE 18 HN PHE 18 28.175 -4.931 1.705
153 HA PHE 18 HA PHE 18 26.586 -7.125 1.685
154 HB2 PHE 18 HB2 PHE 18 26.212 -4.691 0.739
155 HB3 PHE 18 HB1 PHE 18 26.593 -5.459 -0.802
156 HD1 PHE 18 HD1 PHE 18 24.424 -5.835 2.224
157 HD2 PHE 18 HD2 PHE 18 24.945 -6.677 -1.956
158 HE1 PHE 18 HE1 PHE 18 22.130 -6.776 2.127
159 HE2 PHE 18 HE2 PHE 18 22.654 -7.618 -2.053
160 HZ PHE 18 HZ PHE 18 21.247 -7.667 -0.013
161 H LEU 19 HN LEU 19 28.844 -6.261 -0.939
162 HA LEU 19 HA LEU 19 28.350 -8.646 -2.440
163 HB2 LEU 19 HB2 LEU 19 30.428 -6.474 -2.536
164 HB3 LEU 19 HB1 LEU 19 30.595 -7.912 -3.540
165 HG LEU 19 HG LEU 19 29.412 -5.981 -4.667
166 HD11 LEU 19 HD11 LEU 19 28.806 -8.721 -4.731
167 HD12 LEU 19 HD12 LEU 19 28.349 -7.516 -5.933
168 HD13 LEU 19 HD13 LEU 19 27.240 -7.919 -4.623
169 HD21 LEU 19 HD21 LEU 19 27.228 -5.333 -3.953
170 HD22 LEU 19 HD22 LEU 19 28.219 -5.344 -2.494
171 HD23 LEU 19 HD23 LEU 19 27.120 -6.683 -2.824
172 H ALA 20 HN ALA 20 31.101 -7.592 -0.425
173 HA ALA 20 HA ALA 20 32.755 -9.754 -0.606
174 HB1 ALA 20 HB1 ALA 20 33.530 -9.241 1.650
175 HB2 ALA 20 HB2 ALA 20 32.059 -8.323 1.967
176 HB3 ALA 20 HB3 ALA 20 33.216 -7.747 0.768
177 H PHE 21 HN PHE 21 30.091 -9.458 1.763
178 HA PHE 21 HA PHE 21 30.332 -12.244 2.502
179 HB2 PHE 21 HB2 PHE 21 28.391 -10.065 3.287
180 HB3 PHE 21 HB1 PHE 21 28.300 -11.716 3.904
181 HD1 PHE 21 HD1 PHE 21 30.502 -8.723 3.670
182 HD2 PHE 21 HD2 PHE 21 29.761 -12.478 5.619
183 HE1 PHE 21 HE1 PHE 21 32.251 -8.196 5.348
184 HE2 PHE 21 HE2 PHE 21 31.509 -11.950 7.299
185 HZ PHE 21 HZ PHE 21 32.752 -9.810 7.162
186 H GLY 22 HN GLY 22 28.137 -10.244 0.586
187 HA2 GLY 22 HA2 GLY 22 26.055 -12.039 0.160
188 HA3 GLY 22 HA1 GLY 22 26.567 -10.819 -1.001
189 H PHE 23 HN PHE 23 29.082 -11.669 -1.677
190 HA PHE 23 HA PHE 23 28.639 -13.548 -3.661
191 HB2 PHE 23 HB2 PHE 23 30.937 -12.202 -2.514
192 HB3 PHE 23 HB1 PHE 23 31.334 -13.856 -2.976
193 HD1 PHE 23 HD2 PHE 23 30.177 -14.590 -5.313
194 HD2 PHE 23 HD1 PHE 23 31.186 -10.574 -4.169
195 HE1 PHE 23 HE2 PHE 23 30.226 -13.921 -7.701
196 HE2 PHE 23 HE1 PHE 23 31.234 -9.906 -6.555
197 HZ PHE 23 HZ PHE 23 30.752 -11.580 -8.322
198 H TRP 24 HN TRP 24 29.004 -14.013 -0.301
199 HA TRP 24 HA TRP 24 29.534 -16.887 -0.651
200 HB2 TRP 24 HB2 TRP 24 31.092 -15.914 0.877
201 HB3 TRP 24 HB1 TRP 24 29.806 -15.070 1.742
202 HD1 TRP 24 HD1 TRP 24 30.463 -18.744 0.733
203 HE1 TRP 24 HE1 TRP 24 29.890 -20.249 2.752
204 HE3 TRP 24 HE3 TRP 24 29.004 -15.193 4.077
205 HZ2 TRP 24 HZ2 TRP 24 28.937 -19.971 5.430
206 HZ3 TRP 24 HZ3 TRP 24 28.265 -15.832 6.359
207 HH2 TRP 24 HH2 TRP 24 28.230 -18.215 7.037
208 H LEU 25 HN LEU 25 27.812 -15.031 1.822
209 HA LEU 25 HA LEU 25 26.033 -16.587 2.892
210 HB2 LEU 25 HB2 LEU 25 25.709 -13.856 1.805
211 HB3 LEU 25 HB1 LEU 25 24.221 -14.697 2.245
212 HG LEU 25 HG LEU 25 26.581 -14.679 4.116
213 HD11 LEU 25 HD11 LEU 25 25.641 -12.689 5.208
214 HD12 LEU 25 HD12 LEU 25 24.381 -12.594 3.977
215 HD13 LEU 25 HD13 LEU 25 26.066 -12.319 3.537
216 HD21 LEU 25 HD21 LEU 25 24.179 -15.995 4.182
217 HD22 LEU 25 HD22 LEU 25 23.788 -14.526 5.077
218 HD23 LEU 25 HD23 LEU 25 25.109 -15.563 5.617
219 H PHE 26 HN PHE 26 25.242 -15.264 -0.339
220 HA PHE 26 HA PHE 26 23.053 -17.092 -0.666
221 HB2 PHE 26 HB2 PHE 26 24.391 -15.597 -2.907
222 HB3 PHE 26 HB1 PHE 26 22.691 -16.040 -2.735
223 HD1 PHE 26 HD1 PHE 26 21.746 -15.189 -0.269
224 HD2 PHE 26 HD2 PHE 26 24.784 -13.311 -2.656
225 HE1 PHE 26 HE1 PHE 26 21.280 -13.024 0.842
226 HE2 PHE 26 HE2 PHE 26 24.319 -11.146 -1.542
227 HZ PHE 26 HZ PHE 26 22.572 -11.005 0.210
228 H LYS 27 HN LYS 27 26.024 -16.708 -2.602
229 HA LYS 27 HA LYS 27 25.889 -19.015 -4.071
230 HB2 LYS 27 HB2 LYS 27 28.487 -18.015 -2.907
231 HB3 LYS 27 HB1 LYS 27 28.227 -18.815 -4.456
232 HG2 LYS 27 HG2 LYS 27 27.299 -16.039 -3.659
233 HG3 LYS 27 HG1 LYS 27 28.496 -16.450 -4.886
234 HD2 LYS 27 HD2 LYS 27 26.562 -17.820 -5.972
235 HD3 LYS 27 HD1 LYS 27 25.511 -16.826 -4.962
236 HE2 LYS 27 HE2 LYS 27 27.122 -14.903 -5.990
237 HE3 LYS 27 HE1 LYS 27 27.140 -16.060 -7.321
238 HZ1 LYS 27 HZ1 LYS 27 24.982 -15.717 -7.767
239 HZ2 LYS 27 HZ2 LYS 27 25.227 -14.241 -6.961
240 HZ3 LYS 27 HZ3 LYS 27 24.544 -15.560 -6.136
241 H TYR 28 HN TYR 28 26.101 -18.882 -0.702
242 HA TYR 28 HA TYR 28 27.108 -21.669 -0.579
243 HB2 TYR 28 HB2 TYR 28 28.600 -20.820 0.875
244 HB3 TYR 28 HB1 TYR 28 27.709 -19.309 1.043
245 HD1 TYR 28 HD1 TYR 28 27.594 -22.907 2.037
246 HD2 TYR 28 HD2 TYR 28 26.460 -18.877 2.983
247 HE1 TYR 28 HE1 TYR 28 26.711 -23.671 4.229
248 HE2 TYR 28 HE2 TYR 28 25.579 -19.633 5.172
249 HH TYR 28 HH TYR 28 24.769 -21.664 6.222
250 H LEU 29 HN LEU 29 24.902 -19.376 1.036
251 HA LEU 29 HA LEU 29 23.422 -21.561 2.235
252 HB2 LEU 29 HB2 LEU 29 23.902 -19.218 3.255
253 HB3 LEU 29 HB1 LEU 29 22.543 -18.687 2.263
254 HG LEU 29 HG LEU 29 21.523 -20.960 3.394
255 HD11 LEU 29 HD11 LEU 29 23.253 -19.599 5.480
256 HD12 LEU 29 HD12 LEU 29 23.522 -21.215 4.826
257 HD13 LEU 29 HD13 LEU 29 22.083 -20.883 5.788
258 HD21 LEU 29 HD21 LEU 29 21.472 -18.120 4.458
259 HD22 LEU 29 HD22 LEU 29 20.328 -19.381 4.919
260 HD23 LEU 29 HD23 LEU 29 20.381 -18.806 3.253
261 H GLN 30 HN GLN 30 23.053 -19.310 -0.438
262 HA GLN 30 HA GLN 30 20.299 -20.119 -0.917
263 HB2 GLN 30 HB2 GLN 30 20.901 -17.804 -1.332
264 HB3 GLN 30 HB1 GLN 30 22.159 -18.300 -2.459
265 HG2 GLN 30 HG2 GLN 30 20.677 -18.806 -4.123
266 HG3 GLN 30 HG1 GLN 30 19.432 -19.340 -2.995
267 HE21 GLN 30 HE21 GLN 30 20.918 -16.225 -2.390
268 HE22 GLN 30 HE22 GLN 30 19.604 -15.285 -2.911
269 H LYS 31 HN LYS 31 23.379 -21.271 -1.687
270 HA LYS 31 HA LYS 31 22.335 -22.753 -4.027
271 HB2 LYS 31 HB2 LYS 31 25.012 -21.585 -3.412
272 HB3 LYS 31 HB1 LYS 31 24.951 -23.073 -4.355
273 HG2 LYS 31 HG2 LYS 31 24.916 -21.050 -5.800
274 HG3 LYS 31 HG1 LYS 31 23.459 -22.027 -5.981
275 HD2 LYS 31 HD2 LYS 31 22.119 -20.481 -4.909
276 HD3 LYS 31 HD1 LYS 31 23.443 -19.860 -3.920
277 HE2 LYS 31 HE2 LYS 31 24.413 -18.754 -5.888
278 HE3 LYS 31 HE1 LYS 31 23.118 -19.396 -6.899
279 HZ1 LYS 31 HZ1 LYS 31 22.654 -17.668 -4.533
280 HZ2 LYS 31 HZ2 LYS 31 21.516 -18.144 -5.702
281 HZ3 LYS 31 HZ3 LYS 31 22.769 -17.076 -6.119
282 H LYS 32 HN LYS 32 21.443 -24.004 -2.014
283 HA LYS 32 HA LYS 32 23.276 -26.263 -1.598
284 HB2 LYS 32 HB2 LYS 32 22.082 -26.258 0.809
285 HB3 LYS 32 HB1 LYS 32 23.618 -25.448 0.508
286 HG2 LYS 32 HG2 LYS 32 22.641 -23.330 0.423
287 HG3 LYS 32 HG1 LYS 32 21.047 -23.971 0.023
288 HD2 LYS 32 HD2 LYS 32 22.183 -24.815 2.639
289 HD3 LYS 32 HD1 LYS 32 21.699 -23.126 2.507
290 HE2 LYS 32 HE2 LYS 32 19.457 -23.683 1.999
291 HE3 LYS 32 HE1 LYS 32 19.874 -25.350 1.599
292 HZ1 LYS 32 HZ1 LYS 32 18.824 -24.788 3.888
293 HZ2 LYS 32 HZ2 LYS 32 20.408 -24.338 4.307
294 HZ3 LYS 32 HZ3 LYS 32 20.079 -25.924 3.793
Start of MODEL 11
1 H1 LYS 1 HT1 LYS 1 24.714 18.559 2.241
2 H2 LYS 1 HT2 LYS 1 24.793 17.567 0.863
3 H3 LYS 1 HT3 LYS 1 25.196 16.938 2.388
4 HA LYS 1 HA LYS 1 22.989 16.981 3.134
5 HB2 LYS 1 HB2 LYS 1 22.379 19.183 2.300
6 HB3 LYS 1 HB1 LYS 1 22.462 18.613 0.633
7 HG2 LYS 1 HG2 LYS 1 20.509 17.355 0.821
8 HG3 LYS 1 HG1 LYS 1 20.651 17.211 2.574
9 HD2 LYS 1 HD2 LYS 1 19.723 19.286 2.961
10 HD3 LYS 1 HD1 LYS 1 20.319 19.952 1.440
11 HE2 LYS 1 HE2 LYS 1 18.631 18.764 0.180
12 HE3 LYS 1 HE1 LYS 1 18.116 17.879 1.617
13 HZ1 LYS 1 HZ1 LYS 1 18.075 20.682 2.071
14 HZ2 LYS 1 HZ2 LYS 1 16.815 19.551 2.216
15 HZ3 LYS 1 HZ3 LYS 1 17.133 20.286 0.717
16 H LYS 2 HN LYS 2 24.650 16.050 0.390
17 HA LYS 2 HA LYS 2 22.944 14.582 -1.185
18 HB2 LYS 2 HB2 LYS 2 25.358 14.781 -1.618
19 HB3 LYS 2 HB1 LYS 2 25.694 13.738 -0.236
20 HG2 LYS 2 HG2 LYS 2 23.747 12.594 -2.122
21 HG3 LYS 2 HG1 LYS 2 25.340 12.860 -2.829
22 HD2 LYS 2 HD2 LYS 2 24.999 11.500 -0.152
23 HD3 LYS 2 HD1 LYS 2 24.951 10.598 -1.665
24 HE2 LYS 2 HE2 LYS 2 27.217 12.462 -1.478
25 HE3 LYS 2 HE1 LYS 2 27.243 11.187 -0.260
26 HZ1 LYS 2 HZ1 LYS 2 27.874 9.752 -1.800
27 HZ2 LYS 2 HZ2 LYS 2 27.903 10.993 -2.961
28 HZ3 LYS 2 HZ3 LYS 2 26.492 10.078 -2.726
29 H HIS 3 HN HIS 3 21.480 13.073 -0.732
30 HA HIS 3 HA HIS 3 20.270 11.546 0.525
31 HB2 HIS 3 HB2 HIS 3 22.006 10.235 -0.778
32 HB3 HIS 3 HB1 HIS 3 22.961 10.184 0.704
33 HD2 HIS 3 HD2 HIS 3 22.371 7.308 0.720
34 HE1 HIS 3 HE1 HIS 3 18.374 7.865 1.955
35 HE2 HIS 3 HE2 HIS 3 20.221 6.151 1.650
36 H THR 4 HN THR 4 22.352 9.926 2.387
37 HA THR 4 HA THR 4 22.067 11.736 4.710
38 HB THR 4 HB THR 4 20.379 10.077 5.017
39 HG1 THR 4 HG1 THR 4 21.536 8.729 6.705
40 HG21 THR 4 HG21 THR 4 21.747 7.612 5.059
41 HG22 THR 4 HG22 THR 4 22.257 8.418 3.575
42 HG23 THR 4 HG23 THR 4 20.544 8.144 3.887
43 H ILE 5 HN ILE 5 23.258 8.671 5.431
44 HA ILE 5 HA ILE 5 26.051 9.634 5.303
45 HB ILE 5 HB ILE 5 26.336 8.023 7.299
46 HG12 ILE 5 HG12 ILE 5 23.556 8.602 8.076
47 HG13 ILE 5 HG11 ILE 5 23.694 7.449 6.747
48 HG21 ILE 5 HG21 ILE 5 26.577 10.365 7.657
49 HG22 ILE 5 HG22 ILE 5 25.404 9.830 8.861
50 HG23 ILE 5 HG23 ILE 5 24.855 10.656 7.403
51 HD11 ILE 5 HD11 ILE 5 25.046 5.973 8.027
52 HD12 ILE 5 HD12 ILE 5 23.747 6.466 9.115
53 HD13 ILE 5 HD13 ILE 5 25.346 7.196 9.260
54 H TRP 6 HN TRP 6 23.796 7.098 4.623
55 HA TRP 6 HA TRP 6 25.276 4.824 4.374
56 HB2 TRP 6 HB2 TRP 6 22.907 5.898 3.118
57 HB3 TRP 6 HB1 TRP 6 23.850 4.971 1.952
58 HD1 TRP 6 HD1 TRP 6 22.641 2.716 1.877
59 HE1 TRP 6 HE1 TRP 6 22.002 0.926 3.611
60 HE3 TRP 6 HE3 TRP 6 23.835 5.197 6.168
61 HZ2 TRP 6 HZ2 TRP 6 21.996 0.593 6.446
62 HZ3 TRP 6 HZ3 TRP 6 23.504 4.122 8.377
63 HH2 TRP 6 HH2 TRP 6 22.586 1.823 8.522
64 H GLU 7 HN GLU 7 24.913 7.144 1.680
65 HA GLU 7 HA GLU 7 26.845 6.071 0.006
66 HB2 GLU 7 HB2 GLU 7 25.402 8.583 0.251
67 HB3 GLU 7 HB1 GLU 7 27.022 8.808 -0.414
68 HG2 GLU 7 HG2 GLU 7 25.091 6.707 -1.425
69 HG3 GLU 7 HG1 GLU 7 25.220 8.316 -2.132
70 H VAL 8 HN VAL 8 27.343 7.404 3.049
71 HA VAL 8 HA VAL 8 30.115 8.188 2.432
72 HB VAL 8 HB VAL 8 28.757 8.602 5.086
73 HG11 VAL 8 HG11 VAL 8 30.701 10.485 3.847
74 HG12 VAL 8 HG12 VAL 8 31.331 8.925 4.377
75 HG13 VAL 8 HG13 VAL 8 30.530 9.991 5.531
76 HG21 VAL 8 HG21 VAL 8 28.111 10.847 4.271
77 HG22 VAL 8 HG22 VAL 8 27.307 9.588 3.335
78 HG23 VAL 8 HG23 VAL 8 28.702 10.432 2.662
79 H ILE 9 HN ILE 9 28.181 6.021 4.451
80 HA ILE 9 HA ILE 9 30.658 4.622 5.230
81 HB ILE 9 HB ILE 9 29.752 5.267 7.245
82 HG12 ILE 9 HG12 ILE 9 29.618 2.594 6.782
83 HG13 ILE 9 HG11 ILE 9 29.239 3.334 8.323
84 HG21 ILE 9 HG21 ILE 9 27.848 6.439 6.516
85 HG22 ILE 9 HG22 ILE 9 27.251 5.256 7.672
86 HG23 ILE 9 HG23 ILE 9 27.055 4.975 5.940
87 HD11 ILE 9 HD11 ILE 9 27.511 1.678 7.403
88 HD12 ILE 9 HD12 ILE 9 27.106 2.916 6.222
89 HD13 ILE 9 HD13 ILE 9 26.898 3.241 7.939
90 H ALA 10 HN ALA 10 27.279 4.165 4.244
91 HA ALA 10 HA ALA 10 27.527 1.341 3.869
92 HB1 ALA 10 HB1 ALA 10 25.538 3.255 2.625
93 HB2 ALA 10 HB2 ALA 10 25.354 2.490 4.205
94 HB3 ALA 10 HB3 ALA 10 25.373 1.504 2.744
95 H GLY 11 HN GLY 11 26.998 3.871 1.396
96 HA2 GLY 11 HA2 GLY 11 27.694 2.369 -0.825
97 HA3 GLY 11 HA1 GLY 11 27.906 4.116 -0.715
98 H LEU 12 HN LEU 12 29.607 3.351 1.780
99 HA LEU 12 HA LEU 12 32.105 3.059 0.269
100 HB2 LEU 12 HB2 LEU 12 31.701 5.042 1.835
101 HB3 LEU 12 HB1 LEU 12 31.857 3.885 3.158
102 HG LEU 12 HG LEU 12 34.048 3.195 1.788
103 HD11 LEU 12 HD11 LEU 12 33.949 6.169 1.293
104 HD12 LEU 12 HD12 LEU 12 33.385 5.024 0.075
105 HD13 LEU 12 HD13 LEU 12 35.063 4.979 0.618
106 HD21 LEU 12 HD21 LEU 12 35.308 4.768 3.261
107 HD22 LEU 12 HD22 LEU 12 34.027 3.919 4.125
108 HD23 LEU 12 HD23 LEU 12 33.794 5.594 3.629
109 H VAL 13 HN VAL 13 30.090 1.557 2.683
110 HA VAL 13 HA VAL 13 32.129 -0.561 3.058
111 HB VAL 13 HB VAL 13 29.852 0.230 4.891
112 HG11 VAL 13 HG11 VAL 13 31.915 -1.976 4.969
113 HG12 VAL 13 HG12 VAL 13 30.165 -2.112 5.134
114 HG13 VAL 13 HG13 VAL 13 31.119 -1.393 6.430
115 HG21 VAL 13 HG21 VAL 13 31.459 1.245 6.260
116 HG22 VAL 13 HG22 VAL 13 32.053 1.659 4.653
117 HG23 VAL 13 HG23 VAL 13 32.786 0.329 5.548
118 H ALA 14 HN ALA 14 28.587 -0.094 2.989
119 HA ALA 14 HA ALA 14 27.729 -2.673 2.731
120 HB1 ALA 14 HB1 ALA 14 26.718 -0.343 1.080
121 HB2 ALA 14 HB2 ALA 14 26.234 -0.691 2.739
122 HB3 ALA 14 HB3 ALA 14 25.832 -1.822 1.447
123 H LEU 15 HN LEU 15 28.901 -0.597 0.079
124 HA LEU 15 HA LEU 15 28.648 -2.560 -1.941
125 HB2 LEU 15 HB2 LEU 15 28.934 -0.130 -2.395
126 HB3 LEU 15 HB1 LEU 15 30.592 -0.236 -1.805
127 HG LEU 15 HG LEU 15 31.099 -1.908 -3.572
128 HD11 LEU 15 HD11 LEU 15 29.218 -1.811 -5.467
129 HD12 LEU 15 HD12 LEU 15 28.170 -1.568 -4.069
130 HD13 LEU 15 HD13 LEU 15 29.166 -3.018 -4.182
131 HD21 LEU 15 HD21 LEU 15 29.839 0.650 -4.613
132 HD22 LEU 15 HD22 LEU 15 31.025 -0.337 -5.469
133 HD23 LEU 15 HD23 LEU 15 31.481 0.501 -3.985
134 H LEU 16 HN LEU 16 31.096 -1.862 0.445
135 HA LEU 16 HA LEU 16 32.941 -3.817 -0.712
136 HB2 LEU 16 HB2 LEU 16 33.354 -2.221 1.810
137 HB3 LEU 16 HB1 LEU 16 34.575 -2.962 0.774
138 HG LEU 16 HG LEU 16 32.783 -0.623 0.068
139 HD11 LEU 16 HD11 LEU 16 35.799 -0.726 0.084
140 HD12 LEU 16 HD12 LEU 16 34.890 -0.337 1.545
141 HD13 LEU 16 HD13 LEU 16 34.750 0.691 0.118
142 HD21 LEU 16 HD21 LEU 16 34.625 -2.352 -1.578
143 HD22 LEU 16 HD22 LEU 16 34.322 -0.674 -2.028
144 HD23 LEU 16 HD23 LEU 16 32.986 -1.822 -1.951
145 H THR 17 HN THR 17 30.269 -4.012 1.097
146 HA THR 17 HA THR 17 31.305 -6.272 2.697
147 HB THR 17 HB THR 17 29.424 -4.076 3.449
148 HG1 THR 17 HG1 THR 17 30.644 -4.253 5.350
149 HG21 THR 17 HG21 THR 17 27.978 -5.891 3.876
150 HG22 THR 17 HG22 THR 17 28.800 -5.639 5.415
151 HG23 THR 17 HG23 THR 17 29.308 -6.949 4.351
152 H PHE 18 HN PHE 18 28.216 -4.923 1.524
153 HA PHE 18 HA PHE 18 26.610 -7.101 1.515
154 HB2 PHE 18 HB2 PHE 18 26.269 -4.689 0.513
155 HB3 PHE 18 HB1 PHE 18 26.691 -5.482 -1.004
156 HD1 PHE 18 HD2 PHE 18 24.451 -5.844 1.976
157 HD2 PHE 18 HD1 PHE 18 25.053 -6.670 -2.195
158 HE1 PHE 18 HE2 PHE 18 22.154 -6.771 1.826
159 HE2 PHE 18 HE1 PHE 18 22.758 -7.598 -2.345
160 HZ PHE 18 HZ PHE 18 21.309 -7.647 -0.334
161 H LEU 19 HN LEU 19 28.936 -6.321 -1.074
162 HA LEU 19 HA LEU 19 28.448 -8.733 -2.533
163 HB2 LEU 19 HB2 LEU 19 30.549 -6.584 -2.632
164 HB3 LEU 19 HB1 LEU 19 30.727 -8.048 -3.595
165 HG LEU 19 HG LEU 19 29.591 -6.137 -4.799
166 HD11 LEU 19 HD11 LEU 19 28.540 -7.691 -6.052
167 HD12 LEU 19 HD12 LEU 19 27.400 -8.051 -4.759
168 HD13 LEU 19 HD13 LEU 19 28.959 -8.870 -4.810
169 HD21 LEU 19 HD21 LEU 19 27.397 -5.451 -4.158
170 HD22 LEU 19 HD22 LEU 19 28.354 -5.427 -2.677
171 HD23 LEU 19 HD23 LEU 19 27.251 -6.765 -2.992
172 H ALA 20 HN ALA 20 31.123 -7.664 -0.426
173 HA ALA 20 HA ALA 20 32.763 -9.859 -0.536
174 HB1 ALA 20 HB1 ALA 20 33.823 -8.750 1.096
175 HB2 ALA 20 HB2 ALA 20 32.498 -9.059 2.218
176 HB3 ALA 20 HB3 ALA 20 32.456 -7.638 1.175
177 H PHE 21 HN PHE 21 30.046 -9.438 1.750
178 HA PHE 21 HA PHE 21 30.218 -12.194 2.605
179 HB2 PHE 21 HB2 PHE 21 28.279 -9.960 3.222
180 HB3 PHE 21 HB1 PHE 21 28.137 -11.581 3.900
181 HD1 PHE 21 HD2 PHE 21 30.566 -8.760 3.515
182 HD2 PHE 21 HD1 PHE 21 29.341 -12.163 5.832
183 HE1 PHE 21 HE2 PHE 21 32.246 -8.185 5.247
184 HE2 PHE 21 HE1 PHE 21 31.020 -11.589 7.563
185 HZ PHE 21 HZ PHE 21 32.472 -9.601 7.270
186 H GLY 22 HN GLY 22 28.171 -10.250 0.491
187 HA2 GLY 22 HA2 GLY 22 26.068 -12.035 0.063
188 HA3 GLY 22 HA1 GLY 22 26.634 -10.855 -1.112
189 H PHE 23 HN PHE 23 29.177 -11.755 -1.647
190 HA PHE 23 HA PHE 23 28.779 -13.689 -3.595
191 HB2 PHE 23 HB2 PHE 23 31.051 -12.317 -2.428
192 HB3 PHE 23 HB1 PHE 23 31.449 -13.991 -2.810
193 HD1 PHE 23 HD1 PHE 23 30.364 -14.819 -5.147
194 HD2 PHE 23 HD2 PHE 23 31.362 -10.762 -4.143
195 HE1 PHE 23 HE1 PHE 23 30.490 -14.252 -7.558
196 HE2 PHE 23 HE2 PHE 23 31.488 -10.197 -6.552
197 HZ PHE 23 HZ PHE 23 31.050 -11.942 -8.261
198 H TRP 24 HN TRP 24 28.950 -14.048 -0.226
199 HA TRP 24 HA TRP 24 29.506 -16.932 -0.447
200 HB2 TRP 24 HB2 TRP 24 31.005 -15.904 1.108
201 HB3 TRP 24 HB1 TRP 24 29.686 -15.031 1.890
202 HD1 TRP 24 HD1 TRP 24 30.370 -18.740 1.038
203 HE1 TRP 24 HE1 TRP 24 29.715 -20.169 3.087
204 HE3 TRP 24 HE3 TRP 24 28.796 -15.066 4.193
205 HZ2 TRP 24 HZ2 TRP 24 28.660 -19.793 5.714
206 HZ3 TRP 24 HZ3 TRP 24 27.969 -15.622 6.466
207 HH2 TRP 24 HH2 TRP 24 27.898 -17.978 7.229
208 H LEU 25 HN LEU 25 27.696 -14.988 1.894
209 HA LEU 25 HA LEU 25 25.858 -16.510 2.927
210 HB2 LEU 25 HB2 LEU 25 25.604 -13.801 1.766
211 HB3 LEU 25 HB1 LEU 25 24.094 -14.620 2.164
212 HG LEU 25 HG LEU 25 26.373 -14.584 4.130
213 HD11 LEU 25 HD11 LEU 25 24.217 -12.467 3.844
214 HD12 LEU 25 HD12 LEU 25 25.925 -12.233 3.477
215 HD13 LEU 25 HD13 LEU 25 25.415 -12.554 5.134
216 HD21 LEU 25 HD21 LEU 25 24.818 -15.393 5.596
217 HD22 LEU 25 HD22 LEU 25 23.963 -15.870 4.132
218 HD23 LEU 25 HD23 LEU 25 23.535 -14.369 4.953
219 H PHE 26 HN PHE 26 25.251 -15.267 -0.372
220 HA PHE 26 HA PHE 26 23.053 -17.081 -0.764
221 HB2 PHE 26 HB2 PHE 26 24.516 -15.651 -2.971
222 HB3 PHE 26 HB1 PHE 26 22.806 -16.070 -2.872
223 HD1 PHE 26 HD2 PHE 26 21.772 -15.155 -0.452
224 HD2 PHE 26 HD1 PHE 26 24.900 -13.356 -2.785
225 HE1 PHE 26 HE2 PHE 26 21.280 -12.958 0.580
226 HE2 PHE 26 HE1 PHE 26 24.406 -11.159 -1.751
227 HZ PHE 26 HZ PHE 26 22.601 -10.961 -0.065
228 H LYS 27 HN LYS 27 26.132 -16.767 -2.541
229 HA LYS 27 HA LYS 27 26.045 -19.110 -3.964
230 HB2 LYS 27 HB2 LYS 27 28.597 -18.109 -2.705
231 HB3 LYS 27 HB1 LYS 27 28.396 -18.932 -4.249
232 HG2 LYS 27 HG2 LYS 27 27.464 -16.133 -3.546
233 HG3 LYS 27 HG1 LYS 27 28.714 -16.578 -4.704
234 HD2 LYS 27 HD2 LYS 27 26.860 -17.921 -5.901
235 HD3 LYS 27 HD1 LYS 27 25.733 -16.989 -4.913
236 HE2 LYS 27 HE2 LYS 27 27.846 -15.774 -6.721
237 HE3 LYS 27 HE1 LYS 27 26.138 -15.933 -7.135
238 HZ1 LYS 27 HZ1 LYS 27 25.792 -14.030 -6.089
239 HZ2 LYS 27 HZ2 LYS 27 27.405 -13.960 -5.559
240 HZ3 LYS 27 HZ3 LYS 27 26.236 -14.770 -4.628
241 H TYR 28 HN TYR 28 26.096 -18.886 -0.594
242 HA TYR 28 HA TYR 28 27.083 -21.672 -0.345
243 HB2 TYR 28 HB2 TYR 28 28.501 -20.781 1.159
244 HB3 TYR 28 HB1 TYR 28 27.602 -19.269 1.247
245 HD1 TYR 28 HD2 TYR 28 27.451 -22.843 2.323
246 HD2 TYR 28 HD1 TYR 28 26.249 -18.799 3.107
247 HE1 TYR 28 HE2 TYR 28 26.468 -23.555 4.489
248 HE2 TYR 28 HE1 TYR 28 25.268 -19.503 5.271
249 HH TYR 28 HH TYR 28 25.931 -22.442 6.716
250 H LEU 29 HN LEU 29 24.795 -19.329 1.066
251 HA LEU 29 HA LEU 29 23.240 -21.468 2.253
252 HB2 LEU 29 HB2 LEU 29 23.655 -19.058 3.179
253 HB3 LEU 29 HB1 LEU 29 22.332 -18.611 2.101
254 HG LEU 29 HG LEU 29 21.278 -20.819 3.284
255 HD11 LEU 29 HD11 LEU 29 21.778 -20.731 5.677
256 HD12 LEU 29 HD12 LEU 29 22.928 -19.422 5.406
257 HD13 LEU 29 HD13 LEU 29 23.261 -21.032 4.770
258 HD21 LEU 29 HD21 LEU 29 21.223 -17.929 4.187
259 HD22 LEU 29 HD22 LEU 29 20.120 -19.155 4.811
260 HD23 LEU 29 HD23 LEU 29 20.091 -18.733 3.098
261 H GLN 30 HN GLN 30 22.910 -19.146 -0.397
262 HA GLN 30 HA GLN 30 20.256 -20.033 -1.097
263 HB2 GLN 30 HB2 GLN 30 20.944 -17.735 -1.542
264 HB3 GLN 30 HB1 GLN 30 22.243 -18.305 -2.585
265 HG2 GLN 30 HG2 GLN 30 20.844 -18.780 -4.311
266 HG3 GLN 30 HG1 GLN 30 19.551 -19.331 -3.246
267 HE21 GLN 30 HE21 GLN 30 21.007 -16.179 -2.657
268 HE22 GLN 30 HE22 GLN 30 19.686 -15.264 -3.207
269 H LYS 31 HN LYS 31 23.386 -21.209 -1.615
270 HA LYS 31 HA LYS 31 22.475 -22.832 -3.918
271 HB2 LYS 31 HB2 LYS 31 25.095 -21.538 -3.303
272 HB3 LYS 31 HB1 LYS 31 25.108 -23.081 -4.155
273 HG2 LYS 31 HG2 LYS 31 25.059 -21.188 -5.742
274 HG3 LYS 31 HG1 LYS 31 23.594 -22.162 -5.865
275 HD2 LYS 31 HD2 LYS 31 22.261 -20.519 -4.979
276 HD3 LYS 31 HD1 LYS 31 23.537 -19.900 -3.930
277 HE2 LYS 31 HE2 LYS 31 24.654 -18.879 -5.866
278 HE3 LYS 31 HE1 LYS 31 23.409 -19.521 -6.937
279 HZ1 LYS 31 HZ1 LYS 31 22.501 -17.957 -4.654
280 HZ2 LYS 31 HZ2 LYS 31 21.897 -18.018 -6.241
281 HZ3 LYS 31 HZ3 LYS 31 23.286 -17.102 -5.890
282 H LYS 32 HN LYS 32 21.556 -24.057 -1.958
283 HA LYS 32 HA LYS 32 23.412 -26.230 -1.370
284 HB2 LYS 32 HB2 LYS 32 22.899 -26.185 1.046
285 HB3 LYS 32 HB1 LYS 32 23.737 -24.721 0.531
286 HG2 LYS 32 HG2 LYS 32 22.047 -23.603 1.542
287 HG3 LYS 32 HG1 LYS 32 21.084 -24.060 0.136
288 HD2 LYS 32 HD2 LYS 32 20.370 -26.121 1.294
289 HD3 LYS 32 HD1 LYS 32 21.324 -25.657 2.704
290 HE2 LYS 32 HE2 LYS 32 19.909 -23.871 3.238
291 HE3 LYS 32 HE1 LYS 32 19.271 -23.759 1.598
292 HZ1 LYS 32 HZ1 LYS 32 18.705 -26.314 2.549
293 HZ2 LYS 32 HZ2 LYS 32 17.611 -25.060 2.211
294 HZ3 LYS 32 HZ3 LYS 32 18.261 -25.225 3.772
Start of MODEL 12
1 H1 LYS 1 HT1 LYS 1 22.882 18.854 -0.320
2 H2 LYS 1 HT2 LYS 1 22.975 17.189 0.002
3 H3 LYS 1 HT3 LYS 1 21.915 17.768 -1.193
4 HA LYS 1 HA LYS 1 23.586 18.204 -2.693
5 HB2 LYS 1 HB2 LYS 1 25.020 19.562 -1.347
6 HB3 LYS 1 HB1 LYS 1 25.373 18.224 -0.251
7 HG2 LYS 1 HG2 LYS 1 26.718 17.116 -1.847
8 HG3 LYS 1 HG1 LYS 1 26.062 18.062 -3.183
9 HD2 LYS 1 HD2 LYS 1 27.383 19.612 -1.025
10 HD3 LYS 1 HD1 LYS 1 28.444 18.614 -2.019
11 HE2 LYS 1 HE2 LYS 1 27.582 19.662 -4.053
12 HE3 LYS 1 HE1 LYS 1 26.435 20.609 -3.104
13 HZ1 LYS 1 HZ1 LYS 1 28.340 21.609 -1.944
14 HZ2 LYS 1 HZ2 LYS 1 28.349 21.939 -3.611
15 HZ3 LYS 1 HZ3 LYS 1 29.398 20.766 -2.968
16 H LYS 2 HN LYS 2 23.904 15.901 -0.041
17 HA LYS 2 HA LYS 2 24.291 13.758 -2.016
18 HB2 LYS 2 HB2 LYS 2 26.540 14.300 -1.224
19 HB3 LYS 2 HB1 LYS 2 26.005 14.143 0.450
20 HG2 LYS 2 HG2 LYS 2 25.620 11.803 0.215
21 HG3 LYS 2 HG1 LYS 2 25.734 11.886 -1.544
22 HD2 LYS 2 HD2 LYS 2 27.806 10.958 -0.610
23 HD3 LYS 2 HD1 LYS 2 28.121 12.532 -1.344
24 HE2 LYS 2 HE2 LYS 2 27.445 12.339 1.583
25 HE3 LYS 2 HE1 LYS 2 29.092 12.038 1.030
26 HZ1 LYS 2 HZ1 LYS 2 27.840 14.496 1.433
27 HZ2 LYS 2 HZ2 LYS 2 28.112 14.342 -0.237
28 HZ3 LYS 2 HZ3 LYS 2 29.408 14.205 0.852
29 H HIS 3 HN HIS 3 23.801 11.624 -1.153
30 HA HIS 3 HA HIS 3 21.389 11.453 0.188
31 HB2 HIS 3 HB2 HIS 3 22.578 9.631 -1.126
32 HB3 HIS 3 HB1 HIS 3 23.526 9.323 0.330
33 HD2 HIS 3 HD2 HIS 3 22.170 6.821 0.731
34 HE1 HIS 3 HE1 HIS 3 18.422 8.557 1.605
35 HE2 HIS 3 HE2 HIS 3 19.755 6.396 1.631
36 H THR 4 HN THR 4 21.346 9.889 2.301
37 HA THR 4 HA THR 4 21.926 11.538 4.481
38 HB THR 4 HB THR 4 20.267 9.836 4.740
39 HG1 THR 4 HG1 THR 4 21.596 10.270 6.576
40 HG21 THR 4 HG21 THR 4 21.677 7.408 4.849
41 HG22 THR 4 HG22 THR 4 22.261 8.219 3.397
42 HG23 THR 4 HG23 THR 4 20.537 7.914 3.604
43 H ILE 5 HN ILE 5 23.147 8.549 5.343
44 HA ILE 5 HA ILE 5 25.926 9.562 5.271
45 HB ILE 5 HB ILE 5 26.184 7.947 7.264
46 HG12 ILE 5 HG12 ILE 5 23.358 8.430 7.938
47 HG13 ILE 5 HG11 ILE 5 23.588 7.290 6.611
48 HG21 ILE 5 HG21 ILE 5 26.334 10.296 7.645
49 HG22 ILE 5 HG22 ILE 5 25.145 9.708 8.806
50 HG23 ILE 5 HG23 ILE 5 24.612 10.529 7.339
51 HD11 ILE 5 HD11 ILE 5 24.932 5.852 7.937
52 HD12 ILE 5 HD12 ILE 5 23.582 6.301 8.979
53 HD13 ILE 5 HD13 ILE 5 25.152 7.079 9.183
54 H TRP 6 HN TRP 6 23.760 6.951 4.550
55 HA TRP 6 HA TRP 6 25.291 4.722 4.311
56 HB2 TRP 6 HB2 TRP 6 22.951 5.770 2.982
57 HB3 TRP 6 HB1 TRP 6 23.951 4.872 1.841
58 HD1 TRP 6 HD1 TRP 6 22.771 2.611 1.690
59 HE1 TRP 6 HE1 TRP 6 22.099 0.781 3.372
60 HE3 TRP 6 HE3 TRP 6 23.791 5.030 6.059
61 HZ2 TRP 6 HZ2 TRP 6 22.009 0.398 6.199
62 HZ3 TRP 6 HZ3 TRP 6 23.403 3.913 8.237
63 HH2 TRP 6 HH2 TRP 6 22.513 1.599 8.314
64 H GLU 7 HN GLU 7 24.901 6.867 1.492
65 HA GLU 7 HA GLU 7 26.947 5.917 -0.060
66 HB2 GLU 7 HB2 GLU 7 25.772 8.651 0.280
67 HB3 GLU 7 HB1 GLU 7 27.143 8.415 -0.805
68 HG2 GLU 7 HG2 GLU 7 24.651 6.709 -0.941
69 HG3 GLU 7 HG1 GLU 7 24.832 8.195 -1.871
70 H VAL 8 HN VAL 8 27.283 7.440 2.977
71 HA VAL 8 HA VAL 8 30.065 8.204 2.442
72 HB VAL 8 HB VAL 8 28.670 8.612 5.073
73 HG11 VAL 8 HG11 VAL 8 31.223 9.018 4.386
74 HG12 VAL 8 HG12 VAL 8 30.371 10.109 5.480
75 HG13 VAL 8 HG13 VAL 8 30.549 10.531 3.777
76 HG21 VAL 8 HG21 VAL 8 28.539 10.403 2.622
77 HG22 VAL 8 HG22 VAL 8 27.930 10.814 4.224
78 HG23 VAL 8 HG23 VAL 8 27.179 9.511 3.305
79 H ILE 9 HN ILE 9 28.140 5.981 4.406
80 HA ILE 9 HA ILE 9 30.636 4.664 5.261
81 HB ILE 9 HB ILE 9 29.678 5.296 7.252
82 HG12 ILE 9 HG12 ILE 9 29.626 2.623 6.811
83 HG13 ILE 9 HG11 ILE 9 29.177 3.360 8.336
84 HG21 ILE 9 HG21 ILE 9 27.016 4.932 5.895
85 HG22 ILE 9 HG22 ILE 9 27.758 6.416 6.489
86 HG23 ILE 9 HG23 ILE 9 27.166 5.219 7.631
87 HD11 ILE 9 HD11 ILE 9 27.531 1.647 7.366
88 HD12 ILE 9 HD12 ILE 9 27.123 2.873 6.173
89 HD13 ILE 9 HD13 ILE 9 26.856 3.191 7.883
90 H ALA 10 HN ALA 10 27.307 4.125 4.174
91 HA ALA 10 HA ALA 10 27.610 1.300 3.849
92 HB1 ALA 10 HB1 ALA 10 25.506 1.426 2.612
93 HB2 ALA 10 HB2 ALA 10 25.646 3.181 2.517
94 HB3 ALA 10 HB3 ALA 10 25.406 2.397 4.078
95 H GLY 11 HN GLY 11 27.136 3.785 1.319
96 HA2 GLY 11 HA2 GLY 11 27.962 2.266 -0.848
97 HA3 GLY 11 HA1 GLY 11 28.133 4.020 -0.754
98 H LEU 12 HN LEU 12 29.731 3.349 1.821
99 HA LEU 12 HA LEU 12 32.308 3.104 0.446
100 HB2 LEU 12 HB2 LEU 12 31.778 5.069 1.993
101 HB3 LEU 12 HB1 LEU 12 31.870 3.910 3.319
102 HG LEU 12 HG LEU 12 34.159 3.266 2.106
103 HD11 LEU 12 HD11 LEU 12 34.160 6.226 1.623
104 HD12 LEU 12 HD12 LEU 12 33.489 5.163 0.387
105 HD13 LEU 12 HD13 LEU 12 35.167 4.976 0.894
106 HD21 LEU 12 HD21 LEU 12 34.006 3.991 4.424
107 HD22 LEU 12 HD22 LEU 12 33.705 5.655 3.920
108 HD23 LEU 12 HD23 LEU 12 35.281 4.918 3.632
109 H VAL 13 HN VAL 13 30.205 1.556 2.749
110 HA VAL 13 HA VAL 13 32.244 -0.550 3.189
111 HB VAL 13 HB VAL 13 29.945 0.243 4.992
112 HG11 VAL 13 HG11 VAL 13 32.090 -1.885 5.178
113 HG12 VAL 13 HG12 VAL 13 30.341 -2.115 5.203
114 HG13 VAL 13 HG13 VAL 13 31.149 -1.344 6.568
115 HG21 VAL 13 HG21 VAL 13 32.870 0.411 5.673
116 HG22 VAL 13 HG22 VAL 13 31.518 1.305 6.367
117 HG23 VAL 13 HG23 VAL 13 32.117 1.716 4.759
118 H ALA 14 HN ALA 14 28.695 -0.101 3.154
119 HA ALA 14 HA ALA 14 27.867 -2.687 2.869
120 HB1 ALA 14 HB1 ALA 14 25.964 -1.810 1.532
121 HB2 ALA 14 HB2 ALA 14 26.812 -0.271 1.378
122 HB3 ALA 14 HB3 ALA 14 26.287 -0.834 2.965
123 H LEU 15 HN LEU 15 29.146 -0.577 0.316
124 HA LEU 15 HA LEU 15 28.810 -2.482 -1.779
125 HB2 LEU 15 HB2 LEU 15 29.104 -0.031 -2.162
126 HB3 LEU 15 HB1 LEU 15 30.773 -0.177 -1.613
127 HG LEU 15 HG LEU 15 31.208 -1.818 -3.433
128 HD11 LEU 15 HD11 LEU 15 28.281 -1.389 -3.865
129 HD12 LEU 15 HD12 LEU 15 29.241 -2.856 -4.054
130 HD13 LEU 15 HD13 LEU 15 29.294 -1.601 -5.292
131 HD21 LEU 15 HD21 LEU 15 31.506 0.700 -3.686
132 HD22 LEU 15 HD22 LEU 15 29.964 0.708 -4.545
133 HD23 LEU 15 HD23 LEU 15 31.331 -0.198 -5.195
134 H LEU 16 HN LEU 16 31.307 -1.793 0.571
135 HA LEU 16 HA LEU 16 33.144 -3.728 -0.621
136 HB2 LEU 16 HB2 LEU 16 33.523 -2.219 1.963
137 HB3 LEU 16 HB1 LEU 16 34.758 -2.929 0.924
138 HG LEU 16 HG LEU 16 32.983 -0.564 0.263
139 HD11 LEU 16 HD11 LEU 16 36.000 -0.682 0.355
140 HD12 LEU 16 HD12 LEU 16 35.048 -0.315 1.792
141 HD13 LEU 16 HD13 LEU 16 34.960 0.741 0.384
142 HD21 LEU 16 HD21 LEU 16 34.597 -0.558 -1.794
143 HD22 LEU 16 HD22 LEU 16 33.224 -1.664 -1.798
144 HD23 LEU 16 HD23 LEU 16 34.835 -2.260 -1.400
145 H THR 17 HN THR 17 30.463 -3.935 1.198
146 HA THR 17 HA THR 17 31.460 -6.264 2.724
147 HB THR 17 HB THR 17 29.634 -4.043 3.511
148 HG1 THR 17 HG1 THR 17 31.566 -4.002 4.474
149 HG21 THR 17 HG21 THR 17 28.823 -5.623 5.378
150 HG22 THR 17 HG22 THR 17 29.322 -6.936 4.312
151 HG23 THR 17 HG23 THR 17 28.073 -5.803 3.792
152 H PHE 18 HN PHE 18 28.356 -4.887 1.612
153 HA PHE 18 HA PHE 18 26.832 -7.140 1.470
154 HB2 PHE 18 HB2 PHE 18 26.301 -4.681 0.783
155 HB3 PHE 18 HB1 PHE 18 26.775 -5.211 -0.831
156 HD1 PHE 18 HD2 PHE 18 24.397 -5.770 1.956
157 HD2 PHE 18 HD1 PHE 18 25.408 -6.731 -2.107
158 HE1 PHE 18 HE2 PHE 18 22.178 -6.833 1.653
159 HE2 PHE 18 HE1 PHE 18 23.190 -7.794 -2.409
160 HZ PHE 18 HZ PHE 18 21.573 -7.845 -0.528
161 H LEU 19 HN LEU 19 29.218 -6.064 -0.925
162 HA LEU 19 HA LEU 19 28.695 -8.226 -2.742
163 HB2 LEU 19 HB2 LEU 19 30.842 -6.129 -2.511
164 HB3 LEU 19 HB1 LEU 19 30.981 -7.431 -3.688
165 HG LEU 19 HG LEU 19 29.901 -5.331 -4.586
166 HD11 LEU 19 HD11 LEU 19 27.653 -7.179 -4.800
167 HD12 LEU 19 HD12 LEU 19 29.195 -8.003 -5.016
168 HD13 LEU 19 HD13 LEU 19 28.775 -6.637 -6.045
169 HD21 LEU 19 HD21 LEU 19 28.690 -4.931 -2.358
170 HD22 LEU 19 HD22 LEU 19 27.531 -6.144 -2.899
171 HD23 LEU 19 HD23 LEU 19 27.751 -4.660 -3.826
172 H ALA 20 HN ALA 20 30.612 -7.834 0.099
173 HA ALA 20 HA ALA 20 32.369 -10.073 -0.517
174 HB1 ALA 20 HB1 ALA 20 33.682 -9.100 1.013
175 HB2 ALA 20 HB2 ALA 20 32.441 -9.311 2.247
176 HB3 ALA 20 HB3 ALA 20 32.451 -7.859 1.247
177 H PHE 21 HN PHE 21 29.787 -9.322 1.814
178 HA PHE 21 HA PHE 21 29.717 -12.041 2.798
179 HB2 PHE 21 HB2 PHE 21 28.005 -9.606 3.311
180 HB3 PHE 21 HB1 PHE 21 27.692 -11.175 4.052
181 HD1 PHE 21 HD1 PHE 21 30.515 -8.767 3.490
182 HD2 PHE 21 HD2 PHE 21 28.716 -11.669 6.097
183 HE1 PHE 21 HE1 PHE 21 32.239 -8.293 5.208
184 HE2 PHE 21 HE2 PHE 21 30.439 -11.194 7.814
185 HZ PHE 21 HZ PHE 21 32.200 -9.507 7.370
186 H GLY 22 HN GLY 22 27.873 -10.031 0.574
187 HA2 GLY 22 HA2 GLY 22 25.652 -11.749 0.231
188 HA3 GLY 22 HA1 GLY 22 26.184 -10.520 -0.910
189 H PHE 23 HN PHE 23 28.585 -11.310 -1.766
190 HA PHE 23 HA PHE 23 28.148 -13.155 -3.729
191 HB2 PHE 23 HB2 PHE 23 30.143 -12.062 -4.035
192 HB3 PHE 23 HB1 PHE 23 30.587 -12.175 -2.331
193 HD1 PHE 23 HD1 PHE 23 30.348 -14.067 -5.513
194 HD2 PHE 23 HD2 PHE 23 31.807 -14.042 -1.474
195 HE1 PHE 23 HE1 PHE 23 31.717 -16.078 -5.996
196 HE2 PHE 23 HE2 PHE 23 33.175 -16.050 -1.956
197 HZ PHE 23 HZ PHE 23 33.133 -17.071 -4.218
198 H TRP 24 HN TRP 24 29.209 -13.759 -0.415
199 HA TRP 24 HA TRP 24 29.477 -16.613 -0.853
200 HB2 TRP 24 HB2 TRP 24 31.005 -15.710 0.716
201 HB3 TRP 24 HB1 TRP 24 29.731 -14.836 1.565
202 HD1 TRP 24 HD1 TRP 24 30.376 -18.536 0.624
203 HE1 TRP 24 HE1 TRP 24 29.760 -19.997 2.659
204 HE3 TRP 24 HE3 TRP 24 28.850 -14.915 3.864
205 HZ2 TRP 24 HZ2 TRP 24 28.751 -19.665 5.312
206 HZ3 TRP 24 HZ3 TRP 24 28.065 -15.507 6.142
207 HH2 TRP 24 HH2 TRP 24 28.013 -17.877 6.867
208 H LEU 25 HN LEU 25 27.599 -14.782 1.543
209 HA LEU 25 HA LEU 25 25.876 -16.399 2.627
210 HB2 LEU 25 HB2 LEU 25 25.421 -13.745 1.399
211 HB3 LEU 25 HB1 LEU 25 23.984 -14.651 1.867
212 HG LEU 25 HG LEU 25 26.312 -14.393 3.748
213 HD11 LEU 25 HD11 LEU 25 25.163 -12.422 4.745
214 HD12 LEU 25 HD12 LEU 25 24.026 -12.433 3.396
215 HD13 LEU 25 HD13 LEU 25 25.733 -12.102 3.108
216 HD21 LEU 25 HD21 LEU 25 23.513 -14.351 4.694
217 HD22 LEU 25 HD22 LEU 25 24.885 -15.289 5.285
218 HD23 LEU 25 HD23 LEU 25 23.985 -15.837 3.872
219 H PHE 26 HN PHE 26 25.152 -15.251 -0.680
220 HA PHE 26 HA PHE 26 23.018 -17.108 -1.004
221 HB2 PHE 26 HB2 PHE 26 24.492 -15.787 -3.268
222 HB3 PHE 26 HB1 PHE 26 22.790 -16.247 -3.182
223 HD1 PHE 26 HD1 PHE 26 21.641 -15.233 -0.881
224 HD2 PHE 26 HD2 PHE 26 24.857 -13.486 -3.132
225 HE1 PHE 26 HE1 PHE 26 21.077 -13.007 0.043
226 HE2 PHE 26 HE2 PHE 26 24.294 -11.259 -2.204
227 HZ PHE 26 HZ PHE 26 22.407 -11.018 -0.617
228 H LYS 27 HN LYS 27 26.178 -16.955 -2.684
229 HA LYS 27 HA LYS 27 25.906 -19.525 -3.833
230 HB2 LYS 27 HB2 LYS 27 28.356 -17.825 -3.346
231 HB3 LYS 27 HB1 LYS 27 28.349 -19.302 -4.310
232 HG2 LYS 27 HG2 LYS 27 27.001 -18.373 -5.975
233 HG3 LYS 27 HG1 LYS 27 26.350 -17.138 -4.897
234 HD2 LYS 27 HD2 LYS 27 28.144 -15.742 -5.188
235 HD3 LYS 27 HD1 LYS 27 29.287 -17.075 -5.366
236 HE2 LYS 27 HE2 LYS 27 28.742 -15.658 -7.470
237 HE3 LYS 27 HE1 LYS 27 28.719 -17.414 -7.631
238 HZ1 LYS 27 HZ1 LYS 27 26.203 -16.447 -6.750
239 HZ2 LYS 27 HZ2 LYS 27 26.576 -17.367 -8.129
240 HZ3 LYS 27 HZ3 LYS 27 26.659 -15.672 -8.186
241 H TYR 28 HN TYR 28 25.470 -19.559 -0.931
242 HA TYR 28 HA TYR 28 27.188 -21.829 -0.338
243 HB2 TYR 28 HB2 TYR 28 28.605 -20.623 0.937
244 HB3 TYR 28 HB1 TYR 28 27.546 -19.216 0.933
245 HD1 TYR 28 HD2 TYR 28 27.637 -22.702 2.326
246 HD2 TYR 28 HD1 TYR 28 26.570 -18.589 2.949
247 HE1 TYR 28 HE2 TYR 28 26.903 -23.242 4.633
248 HE2 TYR 28 HE1 TYR 28 25.832 -19.129 5.256
249 HH TYR 28 HH TYR 28 26.016 -20.732 6.914
250 H LEU 29 HN LEU 29 24.785 -19.604 1.099
251 HA LEU 29 HA LEU 29 23.518 -21.827 2.493
252 HB2 LEU 29 HB2 LEU 29 23.673 -19.025 2.883
253 HB3 LEU 29 HB1 LEU 29 21.975 -19.411 2.605
254 HG LEU 29 HG LEU 29 23.774 -20.822 4.595
255 HD11 LEU 29 HD11 LEU 29 21.656 -18.681 4.906
256 HD12 LEU 29 HD12 LEU 29 23.342 -18.611 5.419
257 HD13 LEU 29 HD13 LEU 29 22.211 -19.681 6.249
258 HD21 LEU 29 HD21 LEU 29 22.169 -22.404 4.591
259 HD22 LEU 29 HD22 LEU 29 21.242 -21.497 3.398
260 HD23 LEU 29 HD23 LEU 29 21.007 -21.185 5.118
261 H GLN 30 HN GLN 30 22.886 -19.678 -0.222
262 HA GLN 30 HA GLN 30 20.257 -20.836 -0.700
263 HB2 GLN 30 HB2 GLN 30 20.461 -18.488 -1.143
264 HB3 GLN 30 HB1 GLN 30 21.890 -18.743 -2.134
265 HG2 GLN 30 HG2 GLN 30 20.690 -19.623 -3.910
266 HG3 GLN 30 HG1 GLN 30 19.326 -20.090 -2.890
267 HE21 GLN 30 HE21 GLN 30 20.566 -16.930 -2.226
268 HE22 GLN 30 HE22 GLN 30 19.365 -16.053 -3.040
269 H LYS 31 HN LYS 31 23.393 -21.726 -1.304
270 HA LYS 31 HA LYS 31 22.633 -23.274 -3.711
271 HB2 LYS 31 HB2 LYS 31 25.089 -21.740 -3.038
272 HB3 LYS 31 HB1 LYS 31 25.319 -23.288 -3.855
273 HG2 LYS 31 HG2 LYS 31 25.098 -21.432 -5.478
274 HG3 LYS 31 HG1 LYS 31 23.782 -22.594 -5.641
275 HD2 LYS 31 HD2 LYS 31 22.207 -21.130 -4.856
276 HD3 LYS 31 HD1 LYS 31 23.332 -20.350 -3.744
277 HE2 LYS 31 HE2 LYS 31 24.387 -19.151 -5.584
278 HE3 LYS 31 HE1 LYS 31 23.381 -20.003 -6.756
279 HZ1 LYS 31 HZ1 LYS 31 22.480 -17.826 -6.294
280 HZ2 LYS 31 HZ2 LYS 31 22.419 -18.165 -4.631
281 HZ3 LYS 31 HZ3 LYS 31 21.423 -19.017 -5.711
282 H LYS 32 HN LYS 32 21.817 -24.843 -2.099
283 HA LYS 32 HA LYS 32 23.918 -26.747 -1.440
284 HB2 LYS 32 HB2 LYS 32 22.682 -26.956 0.900
285 HB3 LYS 32 HB1 LYS 32 24.013 -25.822 0.664
286 HG2 LYS 32 HG2 LYS 32 22.485 -23.990 0.305
287 HG3 LYS 32 HG1 LYS 32 21.101 -25.082 0.271
288 HD2 LYS 32 HD2 LYS 32 22.617 -25.470 2.707
289 HD3 LYS 32 HD1 LYS 32 22.173 -23.773 2.528
290 HE2 LYS 32 HE2 LYS 32 20.429 -25.132 3.713
291 HE3 LYS 32 HE1 LYS 32 19.832 -24.359 2.246
292 HZ1 LYS 32 HZ1 LYS 32 19.345 -26.844 2.653
293 HZ2 LYS 32 HZ2 LYS 32 20.943 -27.080 2.127
294 HZ3 LYS 32 HZ3 LYS 32 19.809 -26.337 1.102
Start of MODEL 13
1 H1 LYS 1 HT1 LYS 1 23.308 17.797 -3.830
2 H2 LYS 1 HT2 LYS 1 21.914 18.764 -3.918
3 H3 LYS 1 HT3 LYS 1 21.913 17.204 -4.591
4 HA LYS 1 HA LYS 1 22.316 17.726 -1.702
5 HB2 LYS 1 HB2 LYS 1 20.020 18.364 -2.912
6 HB3 LYS 1 HB1 LYS 1 19.758 16.623 -2.779
7 HG2 LYS 1 HG2 LYS 1 20.349 16.805 -0.331
8 HG3 LYS 1 HG1 LYS 1 20.347 18.559 -0.525
9 HD2 LYS 1 HD2 LYS 1 18.011 18.514 -1.244
10 HD3 LYS 1 HD1 LYS 1 17.998 16.751 -1.163
11 HE2 LYS 1 HE2 LYS 1 18.964 17.742 1.337
12 HE3 LYS 1 HE1 LYS 1 17.481 18.611 0.941
13 HZ1 LYS 1 HZ1 LYS 1 17.875 15.686 1.163
14 HZ2 LYS 1 HZ2 LYS 1 16.512 16.366 0.413
15 HZ3 LYS 1 HZ3 LYS 1 16.821 16.669 2.056
16 H LYS 2 HN LYS 2 23.315 15.993 -0.900
17 HA LYS 2 HA LYS 2 23.230 13.451 -2.340
18 HB2 LYS 2 HB2 LYS 2 25.402 14.306 -1.547
19 HB3 LYS 2 HB1 LYS 2 24.806 14.272 0.113
20 HG2 LYS 2 HG2 LYS 2 24.735 11.928 0.176
21 HG3 LYS 2 HG1 LYS 2 24.698 11.786 -1.582
22 HD2 LYS 2 HD2 LYS 2 26.911 11.154 -0.680
23 HD3 LYS 2 HD1 LYS 2 27.025 12.587 -1.704
24 HE2 LYS 2 HE2 LYS 2 27.162 14.043 0.189
25 HE3 LYS 2 HE1 LYS 2 26.704 12.752 1.300
26 HZ1 LYS 2 HZ1 LYS 2 29.247 13.478 0.662
27 HZ2 LYS 2 HZ2 LYS 2 28.994 12.088 -0.281
28 HZ3 LYS 2 HZ3 LYS 2 28.788 12.024 1.404
29 H HIS 3 HN HIS 3 23.027 11.439 -0.990
30 HA HIS 3 HA HIS 3 20.509 11.320 0.246
31 HB2 HIS 3 HB2 HIS 3 21.748 9.393 -0.780
32 HB3 HIS 3 HB1 HIS 3 22.804 9.385 0.631
33 HD2 HIS 3 HD2 HIS 3 21.573 6.781 1.221
34 HE1 HIS 3 HE1 HIS 3 17.969 8.505 2.581
35 HE2 HIS 3 HE2 HIS 3 19.330 6.365 2.493
36 H THR 4 HN THR 4 22.148 9.564 2.402
37 HA THR 4 HA THR 4 22.185 11.732 4.417
38 HB THR 4 HB THR 4 20.443 10.191 4.977
39 HG1 THR 4 HG1 THR 4 21.688 9.016 6.794
40 HG21 THR 4 HG21 THR 4 21.747 7.714 5.349
41 HG22 THR 4 HG22 THR 4 22.230 8.284 3.751
42 HG23 THR 4 HG23 THR 4 20.522 8.106 4.146
43 H ILE 5 HN ILE 5 23.270 8.777 5.558
44 HA ILE 5 HA ILE 5 26.081 9.656 5.344
45 HB ILE 5 HB ILE 5 26.316 8.018 7.339
46 HG12 ILE 5 HG12 ILE 5 23.524 8.696 8.033
47 HG13 ILE 5 HG11 ILE 5 23.699 7.474 6.773
48 HG21 ILE 5 HG21 ILE 5 26.605 10.388 7.634
49 HG22 ILE 5 HG22 ILE 5 25.509 9.839 8.902
50 HG23 ILE 5 HG23 ILE 5 24.870 10.674 7.486
51 HD11 ILE 5 HD11 ILE 5 25.095 7.391 9.458
52 HD12 ILE 5 HD12 ILE 5 25.159 6.149 8.208
53 HD13 ILE 5 HD13 ILE 5 23.644 6.475 9.049
54 H TRP 6 HN TRP 6 23.817 7.113 4.690
55 HA TRP 6 HA TRP 6 25.291 4.840 4.425
56 HB2 TRP 6 HB2 TRP 6 22.918 5.922 3.184
57 HB3 TRP 6 HB1 TRP 6 23.849 4.987 2.016
58 HD1 TRP 6 HD1 TRP 6 22.616 2.747 1.951
59 HE1 TRP 6 HE1 TRP 6 21.979 0.960 3.690
60 HE3 TRP 6 HE3 TRP 6 23.871 5.212 6.234
61 HZ2 TRP 6 HZ2 TRP 6 22.001 0.623 6.525
62 HZ3 TRP 6 HZ3 TRP 6 23.554 4.137 8.445
63 HH2 TRP 6 HH2 TRP 6 22.621 1.845 8.596
64 H GLU 7 HN GLU 7 24.861 7.067 1.668
65 HA GLU 7 HA GLU 7 26.796 6.030 0.006
66 HB2 GLU 7 HB2 GLU 7 25.465 8.634 0.322
67 HB3 GLU 7 HB1 GLU 7 27.013 8.696 -0.521
68 HG2 GLU 7 HG2 GLU 7 26.247 6.944 -2.075
69 HG3 GLU 7 HG1 GLU 7 24.705 6.858 -1.223
70 H VAL 8 HN VAL 8 27.310 7.463 3.032
71 HA VAL 8 HA VAL 8 30.084 8.190 2.382
72 HB VAL 8 HB VAL 8 28.786 8.636 5.056
73 HG11 VAL 8 HG11 VAL 8 30.579 9.998 5.441
74 HG12 VAL 8 HG12 VAL 8 30.648 10.550 3.768
75 HG13 VAL 8 HG13 VAL 8 31.335 8.987 4.210
76 HG21 VAL 8 HG21 VAL 8 28.099 10.865 4.226
77 HG22 VAL 8 HG22 VAL 8 27.272 9.584 3.340
78 HG23 VAL 8 HG23 VAL 8 28.637 10.425 2.606
79 H ILE 9 HN ILE 9 28.176 6.055 4.467
80 HA ILE 9 HA ILE 9 30.664 4.660 5.217
81 HB ILE 9 HB ILE 9 29.795 5.316 7.239
82 HG12 ILE 9 HG12 ILE 9 29.630 2.644 6.806
83 HG13 ILE 9 HG11 ILE 9 29.267 3.400 8.344
84 HG21 ILE 9 HG21 ILE 9 27.892 6.502 6.535
85 HG22 ILE 9 HG22 ILE 9 27.299 5.332 7.705
86 HG23 ILE 9 HG23 ILE 9 27.076 5.044 5.977
87 HD11 ILE 9 HD11 ILE 9 26.926 3.320 7.982
88 HD12 ILE 9 HD12 ILE 9 27.520 1.750 7.446
89 HD13 ILE 9 HD13 ILE 9 27.116 2.985 6.263
90 H ALA 10 HN ALA 10 27.277 4.195 4.267
91 HA ALA 10 HA ALA 10 27.520 1.366 3.924
92 HB1 ALA 10 HB1 ALA 10 25.529 3.277 2.679
93 HB2 ALA 10 HB2 ALA 10 25.348 2.506 4.255
94 HB3 ALA 10 HB3 ALA 10 25.364 1.525 2.791
95 H GLY 11 HN GLY 11 26.989 3.873 1.425
96 HA2 GLY 11 HA2 GLY 11 27.691 2.341 -0.780
97 HA3 GLY 11 HA1 GLY 11 27.895 4.091 -0.691
98 H LEU 12 HN LEU 12 29.588 3.360 1.819
99 HA LEU 12 HA LEU 12 32.099 3.076 0.328
100 HB2 LEU 12 HB2 LEU 12 31.678 5.057 1.887
101 HB3 LEU 12 HB1 LEU 12 31.805 3.903 3.216
102 HG LEU 12 HG LEU 12 34.019 3.227 1.815
103 HD11 LEU 12 HD11 LEU 12 33.616 5.007 0.139
104 HD12 LEU 12 HD12 LEU 12 35.113 5.285 1.031
105 HD13 LEU 12 HD13 LEU 12 33.667 6.216 1.423
106 HD21 LEU 12 HD21 LEU 12 33.764 5.493 3.820
107 HD22 LEU 12 HD22 LEU 12 35.263 4.649 3.433
108 HD23 LEU 12 HD23 LEU 12 33.937 3.781 4.207
109 H VAL 13 HN VAL 13 30.069 1.558 2.716
110 HA VAL 13 HA VAL 13 32.112 -0.551 3.116
111 HB VAL 13 HB VAL 13 29.816 0.255 4.919
112 HG11 VAL 13 HG11 VAL 13 30.078 -2.092 5.167
113 HG12 VAL 13 HG12 VAL 13 31.039 -1.396 6.472
114 HG13 VAL 13 HG13 VAL 13 31.832 -1.992 5.014
115 HG21 VAL 13 HG21 VAL 13 31.428 1.222 6.324
116 HG22 VAL 13 HG22 VAL 13 32.032 1.654 4.725
117 HG23 VAL 13 HG23 VAL 13 32.749 0.303 5.602
118 H ALA 14 HN ALA 14 28.566 -0.104 3.016
119 HA ALA 14 HA ALA 14 27.728 -2.688 2.742
120 HB1 ALA 14 HB1 ALA 14 26.093 -0.942 2.773
121 HB2 ALA 14 HB2 ALA 14 25.916 -1.766 1.224
122 HB3 ALA 14 HB3 ALA 14 26.749 -0.213 1.308
123 H LEU 15 HN LEU 15 28.899 -0.589 0.107
124 HA LEU 15 HA LEU 15 28.672 -2.543 -1.926
125 HB2 LEU 15 HB2 LEU 15 28.942 -0.112 -2.369
126 HB3 LEU 15 HB1 LEU 15 30.594 -0.204 -1.764
127 HG LEU 15 HG LEU 15 31.139 -1.859 -3.531
128 HD11 LEU 15 HD11 LEU 15 28.211 -1.557 -4.054
129 HD12 LEU 15 HD12 LEU 15 29.226 -2.995 -4.159
130 HD13 LEU 15 HD13 LEU 15 29.275 -1.787 -5.444
131 HD21 LEU 15 HD21 LEU 15 30.631 0.911 -3.836
132 HD22 LEU 15 HD22 LEU 15 30.050 0.133 -5.308
133 HD23 LEU 15 HD23 LEU 15 31.722 -0.090 -4.794
134 H LEU 16 HN LEU 16 31.092 -1.848 0.486
135 HA LEU 16 HA LEU 16 32.960 -3.786 -0.668
136 HB2 LEU 16 HB2 LEU 16 33.344 -2.195 1.863
137 HB3 LEU 16 HB1 LEU 16 34.577 -2.928 0.835
138 HG LEU 16 HG LEU 16 32.783 -0.591 0.128
139 HD11 LEU 16 HD11 LEU 16 34.746 0.725 0.193
140 HD12 LEU 16 HD12 LEU 16 35.799 -0.689 0.154
141 HD13 LEU 16 HD13 LEU 16 34.884 -0.310 1.614
142 HD21 LEU 16 HD21 LEU 16 34.325 -0.628 -1.963
143 HD22 LEU 16 HD22 LEU 16 32.994 -1.784 -1.895
144 HD23 LEU 16 HD23 LEU 16 34.637 -2.306 -1.519
145 H THR 17 HN THR 17 30.272 -4.012 1.105
146 HA THR 17 HA THR 17 31.307 -6.274 2.703
147 HB THR 17 HB THR 17 29.431 -4.079 3.468
148 HG1 THR 17 HG1 THR 17 30.878 -5.310 5.381
149 HG21 THR 17 HG21 THR 17 27.968 -5.891 3.865
150 HG22 THR 17 HG22 THR 17 28.778 -5.653 5.413
151 HG23 THR 17 HG23 THR 17 29.287 -6.959 4.345
152 H PHE 18 HN PHE 18 28.220 -4.917 1.534
153 HA PHE 18 HA PHE 18 26.610 -7.088 1.504
154 HB2 PHE 18 HB2 PHE 18 26.281 -4.672 0.510
155 HB3 PHE 18 HB1 PHE 18 26.708 -5.460 -1.008
156 HD1 PHE 18 HD1 PHE 18 24.450 -5.830 1.956
157 HD2 PHE 18 HD2 PHE 18 25.075 -6.639 -2.216
158 HE1 PHE 18 HE1 PHE 18 22.154 -6.753 1.791
159 HE2 PHE 18 HE2 PHE 18 22.780 -7.561 -2.381
160 HZ PHE 18 HZ PHE 18 21.319 -7.618 -0.378
161 H LEU 19 HN LEU 19 28.958 -6.308 -1.067
162 HA LEU 19 HA LEU 19 28.464 -8.715 -2.539
163 HB2 LEU 19 HB2 LEU 19 30.571 -6.570 -2.623
164 HB3 LEU 19 HB1 LEU 19 30.756 -8.033 -3.586
165 HG LEU 19 HG LEU 19 29.629 -6.121 -4.796
166 HD11 LEU 19 HD11 LEU 19 28.995 -8.852 -4.812
167 HD12 LEU 19 HD12 LEU 19 28.584 -7.673 -6.056
168 HD13 LEU 19 HD13 LEU 19 27.434 -8.033 -4.768
169 HD21 LEU 19 HD21 LEU 19 27.433 -5.432 -4.168
170 HD22 LEU 19 HD22 LEU 19 28.379 -5.411 -2.680
171 HD23 LEU 19 HD23 LEU 19 27.276 -6.747 -3.005
172 H ALA 20 HN ALA 20 31.144 -7.656 -0.431
173 HA ALA 20 HA ALA 20 32.776 -9.852 -0.530
174 HB1 ALA 20 HB1 ALA 20 32.489 -9.057 2.225
175 HB2 ALA 20 HB2 ALA 20 32.464 -7.635 1.182
176 HB3 ALA 20 HB3 ALA 20 33.826 -8.755 1.117
177 H PHE 21 HN PHE 21 30.049 -9.436 1.744
178 HA PHE 21 HA PHE 21 30.211 -12.196 2.587
179 HB2 PHE 21 HB2 PHE 21 28.272 -9.963 3.209
180 HB3 PHE 21 HB1 PHE 21 28.131 -11.588 3.882
181 HD1 PHE 21 HD2 PHE 21 30.551 -8.756 3.514
182 HD2 PHE 21 HD1 PHE 21 29.340 -12.180 5.808
183 HE1 PHE 21 HE2 PHE 21 32.227 -8.185 5.250
184 HE2 PHE 21 HE1 PHE 21 31.015 -11.609 7.544
185 HZ PHE 21 HZ PHE 21 32.460 -9.612 7.264
186 H GLY 22 HN GLY 22 28.149 -10.238 0.493
187 HA2 GLY 22 HA2 GLY 22 26.054 -12.022 0.052
188 HA3 GLY 22 HA1 GLY 22 26.620 -10.838 -1.121
189 H PHE 23 HN PHE 23 29.147 -11.727 -1.688
190 HA PHE 23 HA PHE 23 28.748 -13.658 -3.633
191 HB2 PHE 23 HB2 PHE 23 31.029 -12.306 -2.448
192 HB3 PHE 23 HB1 PHE 23 31.417 -13.972 -2.873
193 HD1 PHE 23 HD1 PHE 23 30.331 -14.741 -5.224
194 HD2 PHE 23 HD2 PHE 23 31.319 -10.707 -4.127
195 HE1 PHE 23 HE1 PHE 23 30.442 -14.116 -7.621
196 HE2 PHE 23 HE2 PHE 23 31.431 -10.083 -6.524
197 HZ PHE 23 HZ PHE 23 30.992 -11.788 -8.271
198 H TRP 24 HN TRP 24 28.985 -14.027 -0.256
199 HA TRP 24 HA TRP 24 29.519 -16.913 -0.497
200 HB2 TRP 24 HB2 TRP 24 31.021 -15.889 1.058
201 HB3 TRP 24 HB1 TRP 24 29.702 -15.023 1.849
202 HD1 TRP 24 HD1 TRP 24 30.392 -18.727 0.976
203 HE1 TRP 24 HE1 TRP 24 29.749 -20.168 3.019
204 HE3 TRP 24 HE3 TRP 24 28.822 -15.073 4.155
205 HZ2 TRP 24 HZ2 TRP 24 28.704 -19.808 5.653
206 HZ3 TRP 24 HZ3 TRP 24 28.005 -15.641 6.430
207 HH2 TRP 24 HH2 TRP 24 27.944 -18.004 7.180
208 H LEU 25 HN LEU 25 27.716 -14.986 1.861
209 HA LEU 25 HA LEU 25 25.887 -16.506 2.902
210 HB2 LEU 25 HB2 LEU 25 25.618 -13.804 1.734
211 HB3 LEU 25 HB1 LEU 25 24.111 -14.626 2.139
212 HG LEU 25 HG LEU 25 26.400 -14.570 4.096
213 HD11 LEU 25 HD11 LEU 25 24.218 -12.478 3.823
214 HD12 LEU 25 HD12 LEU 25 25.920 -12.224 3.436
215 HD13 LEU 25 HD13 LEU 25 25.433 -12.548 5.100
216 HD21 LEU 25 HD21 LEU 25 23.992 -15.871 4.107
217 HD22 LEU 25 HD22 LEU 25 23.573 -14.380 4.948
218 HD23 LEU 25 HD23 LEU 25 24.867 -15.406 5.564
219 H PHE 26 HN PHE 26 25.241 -15.269 -0.393
220 HA PHE 26 HA PHE 26 23.049 -17.090 -0.759
221 HB2 PHE 26 HB2 PHE 26 24.485 -15.662 -2.984
222 HB3 PHE 26 HB1 PHE 26 22.778 -16.087 -2.867
223 HD1 PHE 26 HD1 PHE 26 21.750 -15.168 -0.457
224 HD2 PHE 26 HD2 PHE 26 24.881 -13.370 -2.786
225 HE1 PHE 26 HE1 PHE 26 21.261 -12.972 0.581
226 HE2 PHE 26 HE2 PHE 26 24.392 -11.174 -1.746
227 HZ PHE 26 HZ PHE 26 22.586 -10.977 -0.060
228 H LYS 27 HN LYS 27 26.098 -16.777 -2.585
229 HA LYS 27 HA LYS 27 25.994 -19.124 -3.997
230 HB2 LYS 27 HB2 LYS 27 28.563 -18.103 -2.784
231 HB3 LYS 27 HB1 LYS 27 28.341 -18.941 -4.320
232 HG2 LYS 27 HG2 LYS 27 27.412 -16.142 -3.620
233 HG3 LYS 27 HG1 LYS 27 28.635 -16.592 -4.806
234 HD2 LYS 27 HD2 LYS 27 26.718 -17.976 -5.904
235 HD3 LYS 27 HD1 LYS 27 25.650 -16.949 -4.946
236 HE2 LYS 27 HE2 LYS 27 27.296 -15.063 -5.982
237 HE3 LYS 27 HE1 LYS 27 27.350 -16.255 -7.280
238 HZ1 LYS 27 HZ1 LYS 27 25.271 -15.791 -7.866
239 HZ2 LYS 27 HZ2 LYS 27 25.385 -14.415 -6.878
240 HZ3 LYS 27 HZ3 LYS 27 24.705 -15.848 -6.269
241 H TYR 28 HN TYR 28 26.108 -18.886 -0.628
242 HA TYR 28 HA TYR 28 27.107 -21.668 -0.386
243 HB2 TYR 28 HB2 TYR 28 28.536 -20.767 1.101
244 HB3 TYR 28 HB1 TYR 28 27.629 -19.260 1.194
245 HD1 TYR 28 HD2 TYR 28 27.508 -22.832 2.279
246 HD2 TYR 28 HD1 TYR 28 26.294 -18.792 3.070
247 HE1 TYR 28 HE2 TYR 28 26.551 -23.544 4.456
248 HE2 TYR 28 HE1 TYR 28 25.339 -19.498 5.243
249 HH TYR 28 HH TYR 28 25.984 -21.755 6.888
250 H LEU 29 HN LEU 29 24.828 -19.337 1.058
251 HA LEU 29 HA LEU 29 23.295 -21.476 2.268
252 HB2 LEU 29 HB2 LEU 29 23.703 -19.056 3.171
253 HB3 LEU 29 HB1 LEU 29 22.368 -18.625 2.103
254 HG LEU 29 HG LEU 29 21.341 -20.835 3.314
255 HD11 LEU 29 HD11 LEU 29 23.331 -21.019 4.790
256 HD12 LEU 29 HD12 LEU 29 21.858 -20.704 5.706
257 HD13 LEU 29 HD13 LEU 29 23.002 -19.397 5.404
258 HD21 LEU 29 HD21 LEU 29 20.131 -18.764 3.116
259 HD22 LEU 29 HD22 LEU 29 21.266 -17.933 4.181
260 HD23 LEU 29 HD23 LEU 29 20.181 -19.163 4.834
261 H GLN 30 HN GLN 30 22.826 -19.075 -0.310
262 HA GLN 30 HA GLN 30 20.203 -19.981 -1.004
263 HB2 GLN 30 HB2 GLN 30 20.919 -17.712 -1.517
264 HB3 GLN 30 HB1 GLN 30 22.208 -18.326 -2.549
265 HG2 GLN 30 HG2 GLN 30 20.796 -18.849 -4.255
266 HG3 GLN 30 HG1 GLN 30 19.492 -19.324 -3.170
267 HE21 GLN 30 HE21 GLN 30 20.983 -16.195 -2.632
268 HE22 GLN 30 HE22 GLN 30 19.702 -15.268 -3.250
269 H LYS 31 HN LYS 31 23.334 -21.177 -1.603
270 HA LYS 31 HA LYS 31 22.381 -22.778 -3.901
271 HB2 LYS 31 HB2 LYS 31 25.039 -21.677 -3.127
272 HB3 LYS 31 HB1 LYS 31 25.005 -23.232 -3.960
273 HG2 LYS 31 HG2 LYS 31 25.175 -21.317 -5.544
274 HG3 LYS 31 HG1 LYS 31 23.705 -22.261 -5.788
275 HD2 LYS 31 HD2 LYS 31 22.335 -20.623 -4.825
276 HD3 LYS 31 HD1 LYS 31 23.675 -19.884 -3.947
277 HE2 LYS 31 HE2 LYS 31 24.506 -18.808 -5.860
278 HE3 LYS 31 HE1 LYS 31 23.664 -19.903 -6.956
279 HZ1 LYS 31 HZ1 LYS 31 22.200 -18.099 -5.128
280 HZ2 LYS 31 HZ2 LYS 31 21.623 -18.894 -6.515
281 HZ3 LYS 31 HZ3 LYS 31 22.703 -17.591 -6.666
282 H LYS 32 HN LYS 32 24.205 -22.954 -0.855
283 HA LYS 32 HA LYS 32 24.778 -24.763 0.464
284 HB2 LYS 32 HB2 LYS 32 21.935 -24.677 0.039
285 HB3 LYS 32 HB1 LYS 32 22.455 -26.354 0.216
286 HG2 LYS 32 HG2 LYS 32 23.576 -25.837 2.312
287 HG3 LYS 32 HG1 LYS 32 23.227 -24.120 2.115
288 HD2 LYS 32 HD2 LYS 32 20.778 -25.604 1.867
289 HD3 LYS 32 HD1 LYS 32 21.595 -26.082 3.355
290 HE2 LYS 32 HE2 LYS 32 21.838 -23.691 3.973
291 HE3 LYS 32 HE1 LYS 32 20.961 -23.240 2.511
292 HZ1 LYS 32 HZ1 LYS 32 19.019 -23.782 3.426
293 HZ2 LYS 32 HZ2 LYS 32 19.836 -23.757 4.915
294 HZ3 LYS 32 HZ3 LYS 32 19.613 -25.224 4.090
Start of MODEL 14
1 H1 LYS 1 HT1 LYS 1 17.909 17.167 -2.436
2 H2 LYS 1 HT2 LYS 1 19.173 17.041 -3.563
3 H3 LYS 1 HT3 LYS 1 19.096 18.376 -2.515
4 HA LYS 1 HA LYS 1 20.579 17.227 -1.311
5 HB2 LYS 1 HB2 LYS 1 19.448 15.696 0.313
6 HB3 LYS 1 HB1 LYS 1 18.603 17.231 0.111
7 HG2 LYS 1 HG2 LYS 1 17.620 15.439 -1.879
8 HG3 LYS 1 HG1 LYS 1 17.597 14.589 -0.335
9 HD2 LYS 1 HD2 LYS 1 16.353 16.427 0.696
10 HD3 LYS 1 HD1 LYS 1 16.430 17.348 -0.806
11 HE2 LYS 1 HE2 LYS 1 14.658 16.247 -1.654
12 HE3 LYS 1 HE1 LYS 1 15.387 14.684 -1.287
13 HZ1 LYS 1 HZ1 LYS 1 14.508 16.004 1.074
14 HZ2 LYS 1 HZ2 LYS 1 14.106 14.460 0.491
15 HZ3 LYS 1 HZ3 LYS 1 13.232 15.821 -0.028
16 H LYS 2 HN LYS 2 21.810 15.297 -0.977
17 HA LYS 2 HA LYS 2 21.760 13.530 -3.286
18 HB2 LYS 2 HB2 LYS 2 23.892 14.478 -2.409
19 HB3 LYS 2 HB1 LYS 2 23.654 13.555 -0.925
20 HG2 LYS 2 HG2 LYS 2 23.301 11.770 -3.127
21 HG3 LYS 2 HG1 LYS 2 24.798 12.667 -3.390
22 HD2 LYS 2 HD2 LYS 2 24.074 11.235 -0.817
23 HD3 LYS 2 HD1 LYS 2 25.163 10.599 -2.051
24 HE2 LYS 2 HE2 LYS 2 26.009 13.252 -1.464
25 HE3 LYS 2 HE1 LYS 2 25.761 12.429 0.077
26 HZ1 LYS 2 HZ1 LYS 2 26.999 10.588 -1.537
27 HZ2 LYS 2 HZ2 LYS 2 27.711 11.464 -0.268
28 HZ3 LYS 2 HZ3 LYS 2 27.807 12.044 -1.862
29 H HIS 3 HN HIS 3 22.266 12.804 0.167
30 HA HIS 3 HA HIS 3 20.056 10.961 0.258
31 HB2 HIS 3 HB2 HIS 3 21.888 9.713 -0.997
32 HB3 HIS 3 HB1 HIS 3 22.813 9.758 0.504
33 HD2 HIS 3 HD2 HIS 3 22.351 6.841 0.551
34 HE1 HIS 3 HE1 HIS 3 18.338 7.258 1.790
35 HE2 HIS 3 HE2 HIS 3 20.254 5.616 1.510
36 H THR 4 HN THR 4 22.142 9.497 2.185
37 HA THR 4 HA THR 4 21.823 11.398 4.430
38 HB THR 4 HB THR 4 20.156 9.715 4.774
39 HG1 THR 4 HG1 THR 4 20.790 9.478 6.744
40 HG21 THR 4 HG21 THR 4 20.393 7.722 3.763
41 HG22 THR 4 HG22 THR 4 21.604 7.296 4.970
42 HG23 THR 4 HG23 THR 4 22.098 8.040 3.450
43 H ILE 5 HN ILE 5 23.041 8.444 5.393
44 HA ILE 5 HA ILE 5 25.819 9.446 5.240
45 HB ILE 5 HB ILE 5 26.106 7.856 7.253
46 HG12 ILE 5 HG12 ILE 5 23.288 8.370 7.949
47 HG13 ILE 5 HG11 ILE 5 23.507 7.193 6.654
48 HG21 ILE 5 HG21 ILE 5 26.317 10.131 7.739
49 HG22 ILE 5 HG22 ILE 5 24.942 9.677 8.745
50 HG23 ILE 5 HG23 ILE 5 24.677 10.498 7.206
51 HD11 ILE 5 HD11 ILE 5 25.096 7.051 9.214
52 HD12 ILE 5 HD12 ILE 5 24.858 5.789 8.006
53 HD13 ILE 5 HD13 ILE 5 23.521 6.274 9.051
54 H TRP 6 HN TRP 6 23.651 6.872 4.490
55 HA TRP 6 HA TRP 6 25.201 4.627 4.318
56 HB2 TRP 6 HB2 TRP 6 22.818 5.607 3.026
57 HB3 TRP 6 HB1 TRP 6 23.807 4.717 1.870
58 HD1 TRP 6 HD1 TRP 6 22.697 2.415 1.777
59 HE1 TRP 6 HE1 TRP 6 22.100 0.600 3.502
60 HE3 TRP 6 HE3 TRP 6 23.717 4.940 6.086
61 HZ2 TRP 6 HZ2 TRP 6 22.060 0.267 6.337
62 HZ3 TRP 6 HZ3 TRP 6 23.392 3.853 8.290
63 HH2 TRP 6 HH2 TRP 6 22.564 1.519 8.422
64 H GLU 7 HN GLU 7 24.903 7.059 1.718
65 HA GLU 7 HA GLU 7 26.861 5.972 0.036
66 HB2 GLU 7 HB2 GLU 7 25.300 8.390 0.203
67 HB3 GLU 7 HB1 GLU 7 26.947 8.751 -0.316
68 HG2 GLU 7 HG2 GLU 7 25.228 6.578 -1.541
69 HG3 GLU 7 HG1 GLU 7 25.384 8.201 -2.211
70 H VAL 8 HN VAL 8 27.274 7.225 3.092
71 HA VAL 8 HA VAL 8 30.030 8.122 2.549
72 HB VAL 8 HB VAL 8 28.562 8.469 5.157
73 HG11 VAL 8 HG11 VAL 8 31.121 8.781 4.788
74 HG12 VAL 8 HG12 VAL 8 30.231 10.054 5.625
75 HG13 VAL 8 HG13 VAL 8 30.655 10.246 3.922
76 HG21 VAL 8 HG21 VAL 8 27.193 9.470 3.349
77 HG22 VAL 8 HG22 VAL 8 28.609 10.345 2.767
78 HG23 VAL 8 HG23 VAL 8 27.930 10.719 4.350
79 H ILE 9 HN ILE 9 28.098 5.901 4.506
80 HA ILE 9 HA ILE 9 30.581 4.554 5.346
81 HB ILE 9 HB ILE 9 29.595 5.140 7.336
82 HG12 ILE 9 HG12 ILE 9 29.511 2.472 6.831
83 HG13 ILE 9 HG11 ILE 9 29.067 3.184 8.368
84 HG21 ILE 9 HG21 ILE 9 26.948 4.833 5.931
85 HG22 ILE 9 HG22 ILE 9 27.700 6.299 6.556
86 HG23 ILE 9 HG23 ILE 9 27.079 5.092 7.673
87 HD11 ILE 9 HD11 ILE 9 26.745 3.068 7.901
88 HD12 ILE 9 HD12 ILE 9 27.395 1.521 7.362
89 HD13 ILE 9 HD13 ILE 9 27.015 2.772 6.188
90 H ALA 10 HN ALA 10 27.248 4.016 4.239
91 HA ALA 10 HA ALA 10 27.605 1.206 3.833
92 HB1 ALA 10 HB1 ALA 10 25.383 2.309 4.127
93 HB2 ALA 10 HB2 ALA 10 25.471 1.290 2.692
94 HB3 ALA 10 HB3 ALA 10 25.580 3.042 2.534
95 H GLY 11 HN GLY 11 27.039 3.748 1.383
96 HA2 GLY 11 HA2 GLY 11 27.841 2.313 -0.842
97 HA3 GLY 11 HA1 GLY 11 27.995 4.063 -0.696
98 H LEU 12 HN LEU 12 29.668 3.340 1.818
99 HA LEU 12 HA LEU 12 32.202 3.131 0.356
100 HB2 LEU 12 HB2 LEU 12 31.707 5.088 1.927
101 HB3 LEU 12 HB1 LEU 12 31.878 3.927 3.244
102 HG LEU 12 HG LEU 12 34.112 3.320 1.898
103 HD11 LEU 12 HD11 LEU 12 35.122 5.259 0.882
104 HD12 LEU 12 HD12 LEU 12 33.780 6.287 1.383
105 HD13 LEU 12 HD13 LEU 12 33.531 5.056 0.148
106 HD21 LEU 12 HD21 LEU 12 35.288 4.960 3.401
107 HD22 LEU 12 HD22 LEU 12 34.076 3.988 4.234
108 HD23 LEU 12 HD23 LEU 12 33.717 5.657 3.794
109 H VAL 13 HN VAL 13 30.187 1.546 2.714
110 HA VAL 13 HA VAL 13 32.277 -0.521 3.094
111 HB VAL 13 HB VAL 13 29.982 0.168 4.947
112 HG11 VAL 13 HG11 VAL 13 30.456 -2.138 5.208
113 HG12 VAL 13 HG12 VAL 13 31.395 -1.351 6.477
114 HG13 VAL 13 HG13 VAL 13 32.190 -1.890 4.999
115 HG21 VAL 13 HG21 VAL 13 32.885 0.466 5.644
116 HG22 VAL 13 HG22 VAL 13 31.492 1.347 6.270
117 HG23 VAL 13 HG23 VAL 13 32.127 1.724 4.668
118 H ALA 14 HN ALA 14 28.724 -0.128 3.073
119 HA ALA 14 HA ALA 14 27.923 -2.723 2.811
120 HB1 ALA 14 HB1 ALA 14 26.856 -0.327 1.295
121 HB2 ALA 14 HB2 ALA 14 26.320 -0.892 2.877
122 HB3 ALA 14 HB3 ALA 14 26.023 -1.876 1.443
123 H LEU 15 HN LEU 15 29.191 -0.632 0.235
124 HA LEU 15 HA LEU 15 28.878 -2.559 -1.838
125 HB2 LEU 15 HB2 LEU 15 29.166 -0.112 -2.243
126 HB3 LEU 15 HB1 LEU 15 30.833 -0.247 -1.688
127 HG LEU 15 HG LEU 15 31.281 -1.902 -3.488
128 HD11 LEU 15 HD11 LEU 15 28.354 -1.494 -3.933
129 HD12 LEU 15 HD12 LEU 15 29.323 -2.957 -4.106
130 HD13 LEU 15 HD13 LEU 15 29.374 -1.715 -5.356
131 HD21 LEU 15 HD21 LEU 15 30.212 0.831 -4.184
132 HD22 LEU 15 HD22 LEU 15 30.901 -0.221 -5.421
133 HD23 LEU 15 HD23 LEU 15 31.891 0.306 -4.060
134 H LEU 16 HN LEU 16 31.368 -1.844 0.514
135 HA LEU 16 HA LEU 16 33.221 -3.767 -0.663
136 HB2 LEU 16 HB2 LEU 16 33.554 -2.279 1.939
137 HB3 LEU 16 HB1 LEU 16 34.810 -2.985 0.922
138 HG LEU 16 HG LEU 16 33.051 -0.614 0.236
139 HD11 LEU 16 HD11 LEU 16 35.022 -0.288 1.804
140 HD12 LEU 16 HD12 LEU 16 35.089 0.660 0.318
141 HD13 LEU 16 HD13 LEU 16 36.064 -0.801 0.477
142 HD21 LEU 16 HD21 LEU 16 34.685 -0.592 -1.793
143 HD22 LEU 16 HD22 LEU 16 33.334 -1.726 -1.822
144 HD23 LEU 16 HD23 LEU 16 34.951 -2.291 -1.399
145 H THR 17 HN THR 17 30.558 -3.902 1.276
146 HA THR 17 HA THR 17 31.546 -6.271 2.742
147 HB THR 17 HB THR 17 29.674 -4.080 3.507
148 HG1 THR 17 HG1 THR 17 30.899 -5.216 5.519
149 HG21 THR 17 HG21 THR 17 28.895 -5.678 5.375
150 HG22 THR 17 HG22 THR 17 29.426 -6.977 4.311
151 HG23 THR 17 HG23 THR 17 28.154 -5.874 3.787
152 H PHE 18 HN PHE 18 28.438 -4.930 1.602
153 HA PHE 18 HA PHE 18 26.942 -7.200 1.456
154 HB2 PHE 18 HB2 PHE 18 26.385 -4.749 0.757
155 HB3 PHE 18 HB1 PHE 18 26.865 -5.286 -0.855
156 HD1 PHE 18 HD1 PHE 18 24.495 -5.856 1.938
157 HD2 PHE 18 HD2 PHE 18 25.518 -6.834 -2.118
158 HE1 PHE 18 HE1 PHE 18 22.293 -6.957 1.646
159 HE2 PHE 18 HE2 PHE 18 23.318 -7.936 -2.409
160 HZ PHE 18 HZ PHE 18 21.703 -7.997 -0.527
161 H LEU 19 HN LEU 19 29.314 -6.100 -0.951
162 HA LEU 19 HA LEU 19 28.815 -8.283 -2.747
163 HB2 LEU 19 HB2 LEU 19 30.935 -6.157 -2.539
164 HB3 LEU 19 HB1 LEU 19 31.088 -7.467 -3.705
165 HG LEU 19 HG LEU 19 29.977 -5.392 -4.620
166 HD11 LEU 19 HD11 LEU 19 29.304 -8.077 -5.022
167 HD12 LEU 19 HD12 LEU 19 28.862 -6.725 -6.064
168 HD13 LEU 19 HD13 LEU 19 27.752 -7.272 -4.807
169 HD21 LEU 19 HD21 LEU 19 27.623 -6.219 -2.917
170 HD22 LEU 19 HD22 LEU 19 27.819 -4.742 -3.856
171 HD23 LEU 19 HD23 LEU 19 28.768 -4.987 -2.390
172 H ALA 20 HN ALA 20 30.722 -7.859 0.091
173 HA ALA 20 HA ALA 20 32.508 -10.079 -0.519
174 HB1 ALA 20 HB1 ALA 20 32.565 -7.856 1.239
175 HB2 ALA 20 HB2 ALA 20 33.811 -9.081 1.003
176 HB3 ALA 20 HB3 ALA 20 32.577 -9.307 2.241
177 H PHE 21 HN PHE 21 29.917 -9.347 1.807
178 HA PHE 21 HA PHE 21 29.871 -12.062 2.799
179 HB2 PHE 21 HB2 PHE 21 28.147 -9.634 3.308
180 HB3 PHE 21 HB1 PHE 21 27.838 -11.204 4.049
181 HD1 PHE 21 HD2 PHE 21 30.654 -8.788 3.488
182 HD2 PHE 21 HD1 PHE 21 28.865 -11.702 6.091
183 HE1 PHE 21 HE2 PHE 21 32.383 -8.319 5.202
184 HE2 PHE 21 HE1 PHE 21 30.594 -11.231 7.804
185 HZ PHE 21 HZ PHE 21 32.352 -9.540 7.359
186 H GLY 22 HN GLY 22 28.016 -10.073 0.564
187 HA2 GLY 22 HA2 GLY 22 25.809 -11.812 0.222
188 HA3 GLY 22 HA1 GLY 22 26.337 -10.591 -0.928
189 H PHE 23 HN PHE 23 28.750 -11.369 -1.756
190 HA PHE 23 HA PHE 23 28.351 -13.234 -3.708
191 HB2 PHE 23 HB2 PHE 23 30.356 -12.172 -4.020
192 HB3 PHE 23 HB1 PHE 23 30.760 -12.206 -2.303
193 HD1 PHE 23 HD1 PHE 23 30.725 -14.151 -5.441
194 HD2 PHE 23 HD2 PHE 23 31.848 -14.121 -1.294
195 HE1 PHE 23 HE1 PHE 23 32.103 -16.181 -5.798
196 HE2 PHE 23 HE2 PHE 23 33.225 -16.149 -1.653
197 HZ PHE 23 HZ PHE 23 33.354 -17.181 -3.906
198 H TRP 24 HN TRP 24 29.197 -13.784 -0.349
199 HA TRP 24 HA TRP 24 29.546 -16.646 -0.762
200 HB2 TRP 24 HB2 TRP 24 31.068 -15.706 0.797
201 HB3 TRP 24 HB1 TRP 24 29.781 -14.840 1.640
202 HD1 TRP 24 HD1 TRP 24 30.466 -18.537 0.722
203 HE1 TRP 24 HE1 TRP 24 29.867 -19.993 2.767
204 HE3 TRP 24 HE3 TRP 24 28.912 -14.913 3.943
205 HZ2 TRP 24 HZ2 TRP 24 28.862 -19.656 5.420
206 HZ3 TRP 24 HZ3 TRP 24 28.137 -15.499 6.228
207 HH2 TRP 24 HH2 TRP 24 28.111 -17.865 6.966
208 H LEU 25 HN LEU 25 27.658 -14.782 1.603
209 HA LEU 25 HA LEU 25 25.935 -16.412 2.691
210 HB2 LEU 25 HB2 LEU 25 25.502 -13.736 1.505
211 HB3 LEU 25 HB1 LEU 25 24.057 -14.635 1.969
212 HG LEU 25 HG LEU 25 26.397 -14.433 3.843
213 HD11 LEU 25 HD11 LEU 25 25.306 -12.451 4.863
214 HD12 LEU 25 HD12 LEU 25 24.140 -12.431 3.541
215 HD13 LEU 25 HD13 LEU 25 25.846 -12.124 3.218
216 HD21 LEU 25 HD21 LEU 25 24.058 -15.844 3.961
217 HD22 LEU 25 HD22 LEU 25 23.595 -14.356 4.787
218 HD23 LEU 25 HD23 LEU 25 24.957 -15.308 5.380
219 H PHE 26 HN PHE 26 25.277 -15.273 -0.632
220 HA PHE 26 HA PHE 26 23.079 -17.064 -0.958
221 HB2 PHE 26 HB2 PHE 26 24.620 -15.839 -3.231
222 HB3 PHE 26 HB1 PHE 26 22.899 -16.207 -3.138
223 HD1 PHE 26 HD1 PHE 26 21.859 -15.090 -0.789
224 HD2 PHE 26 HD2 PHE 26 25.051 -13.546 -3.217
225 HE1 PHE 26 HE1 PHE 26 21.412 -12.812 0.072
226 HE2 PHE 26 HE2 PHE 26 24.603 -11.268 -2.353
227 HZ PHE 26 HZ PHE 26 22.786 -10.901 -0.708
228 H LYS 27 HN LYS 27 26.143 -16.985 -2.785
229 HA LYS 27 HA LYS 27 25.908 -19.481 -3.946
230 HB2 LYS 27 HB2 LYS 27 28.342 -17.875 -3.195
231 HB3 LYS 27 HB1 LYS 27 28.443 -19.383 -4.107
232 HG2 LYS 27 HG2 LYS 27 27.261 -18.512 -5.935
233 HG3 LYS 27 HG1 LYS 27 26.550 -17.213 -4.976
234 HD2 LYS 27 HD2 LYS 27 28.422 -15.886 -5.127
235 HD3 LYS 27 HD1 LYS 27 29.523 -17.262 -5.213
236 HE2 LYS 27 HE2 LYS 27 29.088 -15.815 -7.364
237 HE3 LYS 27 HE1 LYS 27 29.164 -17.571 -7.501
238 HZ1 LYS 27 HZ1 LYS 27 26.976 -17.724 -7.919
239 HZ2 LYS 27 HZ2 LYS 27 27.138 -16.107 -8.412
240 HZ3 LYS 27 HZ3 LYS 27 26.559 -16.470 -6.857
241 H TYR 28 HN TYR 28 25.941 -19.061 -0.695
242 HA TYR 28 HA TYR 28 27.130 -21.734 -0.262
243 HB2 TYR 28 HB2 TYR 28 28.673 -20.692 1.003
244 HB3 TYR 28 HB1 TYR 28 27.747 -19.195 1.063
245 HD1 TYR 28 HD1 TYR 28 27.701 -22.697 2.396
246 HD2 TYR 28 HD2 TYR 28 26.691 -18.577 3.052
247 HE1 TYR 28 HE1 TYR 28 26.960 -23.245 4.700
248 HE2 TYR 28 HE2 TYR 28 25.946 -19.122 5.354
249 HH TYR 28 HH TYR 28 26.770 -21.551 7.021
250 H LEU 29 HN LEU 29 24.716 -19.345 0.747
251 HA LEU 29 HA LEU 29 23.337 -21.443 2.289
252 HB2 LEU 29 HB2 LEU 29 23.886 -18.928 3.053
253 HB3 LEU 29 HB1 LEU 29 22.320 -18.655 2.289
254 HG LEU 29 HG LEU 29 22.900 -20.700 4.451
255 HD11 LEU 29 HD11 LEU 29 21.528 -18.005 4.455
256 HD12 LEU 29 HD12 LEU 29 22.893 -18.527 5.443
257 HD13 LEU 29 HD13 LEU 29 21.287 -19.196 5.735
258 HD21 LEU 29 HD21 LEU 29 20.259 -20.627 4.403
259 HD22 LEU 29 HD22 LEU 29 21.132 -21.644 3.257
260 HD23 LEU 29 HD23 LEU 29 20.506 -20.075 2.747
261 H GLN 30 HN GLN 30 22.833 -19.118 -0.332
262 HA GLN 30 HA GLN 30 20.094 -19.761 -0.764
263 HB2 GLN 30 HB2 GLN 30 20.917 -17.677 -1.599
264 HB3 GLN 30 HB1 GLN 30 22.171 -18.481 -2.544
265 HG2 GLN 30 HG2 GLN 30 20.714 -19.176 -4.171
266 HG3 GLN 30 HG1 GLN 30 19.354 -19.293 -3.056
267 HE21 GLN 30 HE21 GLN 30 21.129 -16.314 -2.841
268 HE22 GLN 30 HE22 GLN 30 20.026 -15.359 -3.707
269 H LYS 31 HN LYS 31 23.063 -21.284 -1.703
270 HA LYS 31 HA LYS 31 21.822 -22.838 -3.828
271 HB2 LYS 31 HB2 LYS 31 24.557 -22.398 -2.810
272 HB3 LYS 31 HB1 LYS 31 24.234 -24.028 -3.403
273 HG2 LYS 31 HG2 LYS 31 25.052 -22.565 -5.218
274 HG3 LYS 31 HG1 LYS 31 23.399 -23.096 -5.530
275 HD2 LYS 31 HD2 LYS 31 22.496 -21.000 -5.096
276 HD3 LYS 31 HD1 LYS 31 23.824 -20.532 -4.035
277 HE2 LYS 31 HE2 LYS 31 25.325 -20.396 -6.016
278 HE3 LYS 31 HE1 LYS 31 23.960 -20.803 -7.054
279 HZ1 LYS 31 HZ1 LYS 31 24.314 -18.416 -6.950
280 HZ2 LYS 31 HZ2 LYS 31 24.123 -18.441 -5.262
281 HZ3 LYS 31 HZ3 LYS 31 22.815 -18.830 -6.274
282 H LYS 32 HN LYS 32 21.473 -22.959 -0.633
283 HA LYS 32 HA LYS 32 21.804 -25.849 -0.305
284 HB2 LYS 32 HB2 LYS 32 20.815 -23.774 1.664
285 HB3 LYS 32 HB1 LYS 32 21.231 -25.444 2.038
286 HG2 LYS 32 HG2 LYS 32 23.186 -23.461 0.837
287 HG3 LYS 32 HG1 LYS 32 23.043 -23.749 2.568
288 HD2 LYS 32 HD2 LYS 32 24.518 -25.433 2.313
289 HD3 LYS 32 HD1 LYS 32 23.266 -26.314 1.441
290 HE2 LYS 32 HE2 LYS 32 24.009 -25.079 -0.650
291 HE3 LYS 32 HE1 LYS 32 25.392 -24.501 0.279
292 HZ1 LYS 32 HZ1 LYS 32 24.723 -27.376 0.095
293 HZ2 LYS 32 HZ2 LYS 32 26.189 -26.661 0.569
294 HZ3 LYS 32 HZ3 LYS 32 25.705 -26.612 -1.058
Start of MODEL 15
1 H1 LYS 1 HT1 LYS 1 18.977 16.452 -4.244
2 H2 LYS 1 HT2 LYS 1 20.521 16.067 -3.649
3 H3 LYS 1 HT3 LYS 1 19.579 17.248 -2.874
4 HA LYS 1 HA LYS 1 19.227 15.487 -1.485
5 HB2 LYS 1 HB2 LYS 1 17.082 16.344 -2.542
6 HB3 LYS 1 HB1 LYS 1 17.150 14.951 -3.623
7 HG2 LYS 1 HG2 LYS 1 17.572 13.867 -1.083
8 HG3 LYS 1 HG1 LYS 1 16.314 15.079 -0.836
9 HD2 LYS 1 HD2 LYS 1 15.000 14.101 -2.679
10 HD3 LYS 1 HD1 LYS 1 16.257 12.890 -2.934
11 HE2 LYS 1 HE2 LYS 1 15.503 12.950 -0.147
12 HE3 LYS 1 HE1 LYS 1 14.073 12.726 -1.152
13 HZ1 LYS 1 HZ1 LYS 1 15.222 10.920 -2.296
14 HZ2 LYS 1 HZ2 LYS 1 15.080 10.610 -0.631
15 HZ3 LYS 1 HZ3 LYS 1 16.566 11.118 -1.279
16 H LYS 2 HN LYS 2 21.353 14.471 -2.452
17 HA LYS 2 HA LYS 2 21.209 12.269 -4.204
18 HB2 LYS 2 HB2 LYS 2 23.311 13.430 -3.499
19 HB3 LYS 2 HB1 LYS 2 23.160 12.653 -1.923
20 HG2 LYS 2 HG2 LYS 2 22.834 10.611 -3.862
21 HG3 LYS 2 HG1 LYS 2 24.231 11.563 -4.362
22 HD2 LYS 2 HD2 LYS 2 23.809 10.413 -1.587
23 HD3 LYS 2 HD1 LYS 2 24.875 9.732 -2.817
24 HE2 LYS 2 HE2 LYS 2 25.542 12.472 -2.637
25 HE3 LYS 2 HE1 LYS 2 25.393 11.895 -0.976
26 HZ1 LYS 2 HZ1 LYS 2 27.530 11.302 -1.421
27 HZ2 LYS 2 HZ2 LYS 2 27.251 11.063 -3.081
28 HZ3 LYS 2 HZ3 LYS 2 26.747 9.895 -1.955
29 H HIS 3 HN HIS 3 21.849 12.018 -0.707
30 HA HIS 3 HA HIS 3 19.718 10.133 -0.281
31 HB2 HIS 3 HB2 HIS 3 21.531 8.791 -1.469
32 HB3 HIS 3 HB1 HIS 3 22.523 9.042 -0.031
33 HD2 HIS 3 HD2 HIS 3 22.165 6.145 0.393
34 HE1 HIS 3 HE1 HIS 3 18.193 6.587 1.750
35 HE2 HIS 3 HE2 HIS 3 20.153 4.983 1.584
36 H THR 4 HN THR 4 21.879 8.944 1.719
37 HA THR 4 HA THR 4 21.631 11.109 3.724
38 HB THR 4 HB THR 4 20.039 9.434 4.353
39 HG1 THR 4 HG1 THR 4 20.786 9.515 6.293
40 HG21 THR 4 HG21 THR 4 21.966 7.665 3.136
41 HG22 THR 4 HG22 THR 4 20.290 7.341 3.577
42 HG23 THR 4 HG23 THR 4 21.574 7.097 4.759
43 H ILE 5 HN ILE 5 22.990 8.328 4.970
44 HA ILE 5 HA ILE 5 25.723 9.376 4.550
45 HB ILE 5 HB ILE 5 26.164 8.053 6.720
46 HG12 ILE 5 HG12 ILE 5 23.374 8.558 7.514
47 HG13 ILE 5 HG11 ILE 5 23.556 7.252 6.343
48 HG21 ILE 5 HG21 ILE 5 26.337 10.306 7.104
49 HG22 ILE 5 HG22 ILE 5 24.828 10.037 7.975
50 HG23 ILE 5 HG23 ILE 5 24.795 10.660 6.326
51 HD11 ILE 5 HD11 ILE 5 25.036 6.048 7.757
52 HD12 ILE 5 HD12 ILE 5 23.735 6.596 8.813
53 HD13 ILE 5 HD13 ILE 5 25.284 7.440 8.810
54 H TRP 6 HN TRP 6 23.600 6.671 4.247
55 HA TRP 6 HA TRP 6 25.211 4.464 4.247
56 HB2 TRP 6 HB2 TRP 6 22.731 5.224 2.988
57 HB3 TRP 6 HB1 TRP 6 23.683 4.228 1.889
58 HD1 TRP 6 HD1 TRP 6 22.647 1.906 2.128
59 HE1 TRP 6 HE1 TRP 6 22.196 0.293 4.081
60 HE3 TRP 6 HE3 TRP 6 23.808 4.946 6.051
61 HZ2 TRP 6 HZ2 TRP 6 22.314 0.294 6.934
62 HZ3 TRP 6 HZ3 TRP 6 23.631 4.117 8.381
63 HH2 TRP 6 HH2 TRP 6 22.885 1.795 8.827
64 H GLU 7 HN GLU 7 24.682 6.553 1.400
65 HA GLU 7 HA GLU 7 26.564 5.343 -0.273
66 HB2 GLU 7 HB2 GLU 7 24.940 7.707 -0.271
67 HB3 GLU 7 HB1 GLU 7 26.556 8.108 -0.855
68 HG2 GLU 7 HG2 GLU 7 24.898 5.785 -1.873
69 HG3 GLU 7 HG1 GLU 7 25.011 7.350 -2.675
70 H VAL 8 HN VAL 8 27.102 7.050 2.581
71 HA VAL 8 HA VAL 8 29.815 7.863 1.782
72 HB VAL 8 HB VAL 8 28.487 8.479 4.418
73 HG11 VAL 8 HG11 VAL 8 30.246 9.908 4.741
74 HG12 VAL 8 HG12 VAL 8 30.363 10.313 3.030
75 HG13 VAL 8 HG13 VAL 8 31.053 8.805 3.628
76 HG21 VAL 8 HG21 VAL 8 27.009 9.262 2.596
77 HG22 VAL 8 HG22 VAL 8 28.379 10.069 1.832
78 HG23 VAL 8 HG23 VAL 8 27.790 10.624 3.399
79 H ILE 9 HN ILE 9 28.060 5.849 4.107
80 HA ILE 9 HA ILE 9 30.625 4.653 4.932
81 HB ILE 9 HB ILE 9 29.744 5.452 6.898
82 HG12 ILE 9 HG12 ILE 9 29.712 2.741 6.715
83 HG13 ILE 9 HG11 ILE 9 29.351 3.622 8.183
84 HG21 ILE 9 HG21 ILE 9 27.768 6.462 6.109
85 HG22 ILE 9 HG22 ILE 9 27.258 5.385 7.402
86 HG23 ILE 9 HG23 ILE 9 27.026 4.913 5.716
87 HD11 ILE 9 HD11 ILE 9 27.173 2.901 6.216
88 HD12 ILE 9 HD12 ILE 9 27.007 3.398 7.894
89 HD13 ILE 9 HD13 ILE 9 27.668 1.812 7.506
90 H ALA 10 HN ALA 10 27.243 3.896 4.132
91 HA ALA 10 HA ALA 10 27.671 1.072 4.029
92 HB1 ALA 10 HB1 ALA 10 25.517 2.696 2.658
93 HB2 ALA 10 HB2 ALA 10 25.437 2.135 4.329
94 HB3 ALA 10 HB3 ALA 10 25.475 0.968 3.009
95 H GLY 11 HN GLY 11 26.908 3.309 1.344
96 HA2 GLY 11 HA2 GLY 11 27.624 1.630 -0.744
97 HA3 GLY 11 HA1 GLY 11 27.720 3.389 -0.816
98 H LEU 12 HN LEU 12 29.549 2.965 1.682
99 HA LEU 12 HA LEU 12 32.012 2.684 0.108
100 HB2 LEU 12 HB2 LEU 12 31.537 4.803 1.453
101 HB3 LEU 12 HB1 LEU 12 31.778 3.816 2.896
102 HG LEU 12 HG LEU 12 33.965 3.128 1.390
103 HD11 LEU 12 HD11 LEU 12 34.881 5.054 0.341
104 HD12 LEU 12 HD12 LEU 12 33.683 6.120 1.075
105 HD13 LEU 12 HD13 LEU 12 33.204 5.004 -0.203
106 HD21 LEU 12 HD21 LEU 12 33.686 5.406 3.377
107 HD22 LEU 12 HD22 LEU 12 35.208 4.639 2.928
108 HD23 LEU 12 HD23 LEU 12 33.970 3.712 3.774
109 H VAL 13 HN VAL 13 30.171 1.307 2.720
110 HA VAL 13 HA VAL 13 32.383 -0.579 3.289
111 HB VAL 13 HB VAL 13 30.032 0.216 5.022
112 HG11 VAL 13 HG11 VAL 13 30.318 -1.909 5.801
113 HG12 VAL 13 HG12 VAL 13 31.718 -1.208 6.614
114 HG13 VAL 13 HG13 VAL 13 31.923 -2.062 5.084
115 HG21 VAL 13 HG21 VAL 13 31.586 1.394 6.334
116 HG22 VAL 13 HG22 VAL 13 32.156 1.726 4.699
117 HG23 VAL 13 HG23 VAL 13 32.958 0.501 5.681
118 H ALA 14 HN ALA 14 28.817 -0.444 3.099
119 HA ALA 14 HA ALA 14 28.202 -3.105 3.130
120 HB1 ALA 14 HB1 ALA 14 26.285 -2.581 1.683
121 HB2 ALA 14 HB2 ALA 14 27.038 -1.050 1.229
122 HB3 ALA 14 HB3 ALA 14 26.517 -1.319 2.893
123 H LEU 15 HN LEU 15 29.293 -1.242 0.298
124 HA LEU 15 HA LEU 15 29.274 -3.410 -1.521
125 HB2 LEU 15 HB2 LEU 15 31.053 -0.959 -1.563
126 HB3 LEU 15 HB1 LEU 15 30.654 -1.990 -2.939
127 HG LEU 15 HG LEU 15 28.661 -0.388 -1.311
128 HD11 LEU 15 HD11 LEU 15 28.740 1.256 -2.914
129 HD12 LEU 15 HD12 LEU 15 29.132 0.122 -4.204
130 HD13 LEU 15 HD13 LEU 15 30.391 0.665 -3.096
131 HD21 LEU 15 HD21 LEU 15 27.291 -1.035 -3.489
132 HD22 LEU 15 HD22 LEU 15 27.390 -2.152 -2.126
133 HD23 LEU 15 HD23 LEU 15 28.427 -2.383 -3.535
134 H LEU 16 HN LEU 16 31.538 -2.280 0.859
135 HA LEU 16 HA LEU 16 33.566 -4.220 0.004
136 HB2 LEU 16 HB2 LEU 16 33.776 -2.274 2.296
137 HB3 LEU 16 HB1 LEU 16 35.083 -3.054 1.401
138 HG LEU 16 HG LEU 16 33.159 -0.966 0.346
139 HD11 LEU 16 HD11 LEU 16 34.985 0.504 0.326
140 HD12 LEU 16 HD12 LEU 16 36.163 -0.809 0.378
141 HD13 LEU 16 HD13 LEU 16 35.242 -0.391 1.823
142 HD21 LEU 16 HD21 LEU 16 34.758 -1.180 -1.691
143 HD22 LEU 16 HD22 LEU 16 33.506 -2.407 -1.486
144 HD23 LEU 16 HD23 LEU 16 35.170 -2.755 -1.012
145 H THR 17 HN THR 17 30.846 -4.429 1.660
146 HA THR 17 HA THR 17 31.896 -6.506 3.448
147 HB THR 17 HB THR 17 30.141 -4.196 4.282
148 HG1 THR 17 HG1 THR 17 31.758 -3.967 5.816
149 HG21 THR 17 HG21 THR 17 30.498 -6.933 5.483
150 HG22 THR 17 HG22 THR 17 29.010 -6.017 5.243
151 HG23 THR 17 HG23 THR 17 30.144 -5.542 6.508
152 H PHE 18 HN PHE 18 28.717 -4.972 3.014
153 HA PHE 18 HA PHE 18 27.148 -7.216 3.145
154 HB2 PHE 18 HB2 PHE 18 26.519 -4.700 2.814
155 HB3 PHE 18 HB1 PHE 18 26.508 -5.113 1.101
156 HD1 PHE 18 HD1 PHE 18 25.284 -6.485 4.373
157 HD2 PHE 18 HD2 PHE 18 24.507 -5.908 0.188
158 HE1 PHE 18 HE1 PHE 18 23.046 -7.516 4.645
159 HE2 PHE 18 HE2 PHE 18 22.270 -6.938 0.461
160 HZ PHE 18 HZ PHE 18 21.539 -7.744 2.689
161 H LEU 19 HN LEU 19 28.622 -5.849 0.202
162 HA LEU 19 HA LEU 19 27.692 -7.964 -1.498
163 HB2 LEU 19 HB2 LEU 19 29.649 -5.703 -1.785
164 HB3 LEU 19 HB1 LEU 19 29.561 -6.952 -3.022
165 HG LEU 19 HG LEU 19 28.091 -4.933 -3.451
166 HD11 LEU 19 HD11 LEU 19 27.529 -7.673 -3.807
167 HD12 LEU 19 HD12 LEU 19 26.792 -6.320 -4.663
168 HD13 LEU 19 HD13 LEU 19 26.031 -6.962 -3.209
169 HD21 LEU 19 HD21 LEU 19 26.186 -4.525 -2.096
170 HD22 LEU 19 HD22 LEU 19 27.503 -4.773 -0.954
171 HD23 LEU 19 HD23 LEU 19 26.349 -6.068 -1.260
172 H ALA 20 HN ALA 20 30.876 -7.153 -0.107
173 HA ALA 20 HA ALA 20 32.427 -9.158 -1.136
174 HB1 ALA 20 HB1 ALA 20 33.801 -8.029 0.241
175 HB2 ALA 20 HB2 ALA 20 33.222 -9.098 1.520
176 HB3 ALA 20 HB3 ALA 20 32.469 -7.521 1.279
177 H PHE 21 HN PHE 21 30.507 -9.413 1.870
178 HA PHE 21 HA PHE 21 30.941 -12.271 2.002
179 HB2 PHE 21 HB2 PHE 21 29.301 -10.353 3.665
180 HB3 PHE 21 HB1 PHE 21 29.376 -12.089 3.975
181 HD1 PHE 21 HD2 PHE 21 31.645 -9.161 3.378
182 HD2 PHE 21 HD1 PHE 21 31.050 -12.910 5.386
183 HE1 PHE 21 HE2 PHE 21 33.787 -8.852 4.587
184 HE2 PHE 21 HE1 PHE 21 33.192 -12.601 6.595
185 HZ PHE 21 HZ PHE 21 34.559 -10.572 6.196
186 H GLY 22 HN GLY 22 28.363 -10.059 1.074
187 HA2 GLY 22 HA2 GLY 22 26.210 -11.834 0.932
188 HA3 GLY 22 HA1 GLY 22 26.404 -10.407 -0.081
189 H PHE 23 HN PHE 23 28.688 -11.062 -1.497
190 HA PHE 23 HA PHE 23 27.696 -12.565 -3.616
191 HB2 PHE 23 HB2 PHE 23 30.215 -11.326 -2.910
192 HB3 PHE 23 HB1 PHE 23 30.482 -12.871 -3.716
193 HD1 PHE 23 HD2 PHE 23 28.748 -13.296 -5.754
194 HD2 PHE 23 HD1 PHE 23 30.020 -9.459 -4.298
195 HE1 PHE 23 HE2 PHE 23 28.160 -12.273 -7.935
196 HE2 PHE 23 HE1 PHE 23 29.433 -8.437 -6.478
197 HZ PHE 23 HZ PHE 23 28.501 -9.844 -8.296
198 H TRP 24 HN TRP 24 28.907 -13.581 -0.606
199 HA TRP 24 HA TRP 24 29.336 -16.326 -1.582
200 HB2 TRP 24 HB2 TRP 24 31.228 -15.553 -0.337
201 HB3 TRP 24 HB1 TRP 24 30.197 -14.936 0.957
202 HD1 TRP 24 HD1 TRP 24 30.534 -18.352 -0.830
203 HE1 TRP 24 HE1 TRP 24 30.517 -20.204 0.967
204 HE3 TRP 24 HE3 TRP 24 30.094 -15.492 3.359
205 HZ2 TRP 24 HZ2 TRP 24 30.340 -20.433 3.809
206 HZ3 TRP 24 HZ3 TRP 24 30.001 -16.546 5.606
207 HH2 TRP 24 HH2 TRP 24 30.124 -19.013 5.833
208 H LEU 25 HN LEU 25 28.315 -15.030 1.550
209 HA LEU 25 HA LEU 25 26.845 -16.834 2.709
210 HB2 LEU 25 HB2 LEU 25 26.288 -13.955 2.298
211 HB3 LEU 25 HB1 LEU 25 24.959 -14.923 2.938
212 HG LEU 25 HG LEU 25 27.726 -15.174 4.096
213 HD11 LEU 25 HD11 LEU 25 25.606 -13.165 4.919
214 HD12 LEU 25 HD12 LEU 25 27.136 -12.769 4.137
215 HD13 LEU 25 HD13 LEU 25 27.129 -13.460 5.759
216 HD21 LEU 25 HD21 LEU 25 25.276 -15.296 5.755
217 HD22 LEU 25 HD22 LEU 25 26.682 -16.363 5.742
218 HD23 LEU 25 HD23 LEU 25 25.412 -16.563 4.534
219 H PHE 26 HN PHE 26 25.261 -14.923 0.127
220 HA PHE 26 HA PHE 26 23.028 -16.714 0.004
221 HB2 PHE 26 HB2 PHE 26 23.813 -14.804 -2.186
222 HB3 PHE 26 HB1 PHE 26 22.198 -15.305 -1.690
223 HD1 PHE 26 HD2 PHE 26 21.989 -14.954 1.097
224 HD2 PHE 26 HD1 PHE 26 24.217 -12.563 -1.691
225 HE1 PHE 26 HE2 PHE 26 21.861 -13.028 2.648
226 HE2 PHE 26 HE1 PHE 26 24.086 -10.635 -0.138
227 HZ PHE 26 HZ PHE 26 22.914 -10.870 2.032
228 H LYS 27 HN LYS 27 25.490 -15.942 -2.457
229 HA LYS 27 HA LYS 27 24.914 -17.967 -4.239
230 HB2 LYS 27 HB2 LYS 27 27.742 -17.089 -3.668
231 HB3 LYS 27 HB1 LYS 27 27.048 -17.603 -5.204
232 HG2 LYS 27 HG2 LYS 27 26.406 -15.051 -3.691
233 HG3 LYS 27 HG1 LYS 27 27.257 -15.184 -5.228
234 HD2 LYS 27 HD2 LYS 27 25.117 -16.372 -6.077
235 HD3 LYS 27 HD1 LYS 27 24.342 -15.686 -4.647
236 HE2 LYS 27 HE2 LYS 27 25.855 -14.079 -6.734
237 HE3 LYS 27 HE1 LYS 27 24.097 -14.214 -6.642
238 HZ1 LYS 27 HZ1 LYS 27 25.914 -12.668 -5.019
239 HZ2 LYS 27 HZ2 LYS 27 24.743 -13.520 -4.129
240 HZ3 LYS 27 HZ3 LYS 27 24.265 -12.425 -5.337
241 H TYR 28 HN TYR 28 25.924 -18.425 -1.068
242 HA TYR 28 HA TYR 28 26.985 -21.120 -1.710
243 HB2 TYR 28 HB2 TYR 28 28.807 -20.409 -0.595
244 HB3 TYR 28 HB1 TYR 28 27.960 -19.038 0.109
245 HD1 TYR 28 HD1 TYR 28 28.033 -22.783 0.345
246 HD2 TYR 28 HD2 TYR 28 27.567 -19.042 2.406
247 HE1 TYR 28 HE1 TYR 28 27.903 -23.989 2.508
248 HE2 TYR 28 HE2 TYR 28 27.441 -20.247 4.567
249 HH TYR 28 HH TYR 28 27.850 -22.258 5.575
250 H LEU 29 HN LEU 29 25.028 -19.233 0.574
251 HA LEU 29 HA LEU 29 23.956 -21.718 1.710
252 HB2 LEU 29 HB2 LEU 29 24.673 -19.467 2.971
253 HB3 LEU 29 HB1 LEU 29 23.013 -19.026 2.589
254 HG LEU 29 HG LEU 29 23.050 -20.055 4.779
255 HD11 LEU 29 HD11 LEU 29 21.242 -20.659 3.022
256 HD12 LEU 29 HD12 LEU 29 21.348 -21.649 4.476
257 HD13 LEU 29 HD13 LEU 29 22.038 -22.233 2.962
258 HD21 LEU 29 HD21 LEU 29 23.805 -22.755 4.028
259 HD22 LEU 29 HD22 LEU 29 24.431 -21.746 5.331
260 HD23 LEU 29 HD23 LEU 29 25.119 -21.626 3.716
261 H GLN 30 HN GLN 30 22.893 -18.799 0.004
262 HA GLN 30 HA GLN 30 20.140 -19.599 -0.112
263 HB2 GLN 30 HB2 GLN 30 20.757 -17.247 -0.250
264 HB3 GLN 30 HB1 GLN 30 21.684 -17.556 -1.715
265 HG2 GLN 30 HG2 GLN 30 19.840 -17.666 -3.030
266 HG3 GLN 30 HG1 GLN 30 18.890 -18.499 -1.799
267 HE21 GLN 30 HE21 GLN 30 20.528 -15.483 -0.975
268 HE22 GLN 30 HE22 GLN 30 19.123 -14.534 -0.895
269 H LYS 31 HN LYS 31 22.967 -20.355 -1.923
270 HA LYS 31 HA LYS 31 21.348 -21.455 -4.135
271 HB2 LYS 31 HB2 LYS 31 24.154 -20.454 -3.915
272 HB3 LYS 31 HB1 LYS 31 23.805 -21.721 -5.092
273 HG2 LYS 31 HG2 LYS 31 23.571 -19.424 -6.050
274 HG3 LYS 31 HG1 LYS 31 22.070 -20.350 -6.119
275 HD2 LYS 31 HD2 LYS 31 21.087 -19.134 -4.370
276 HD3 LYS 31 HD1 LYS 31 22.643 -18.577 -3.756
277 HE2 LYS 31 HE2 LYS 31 22.933 -17.182 -5.781
278 HE3 LYS 31 HE1 LYS 31 21.360 -17.722 -6.369
279 HZ1 LYS 31 HZ1 LYS 31 21.561 -15.519 -5.042
280 HZ2 LYS 31 HZ2 LYS 31 21.570 -16.542 -3.686
281 HZ3 LYS 31 HZ3 LYS 31 20.252 -16.558 -4.755
282 H LYS 32 HN LYS 32 23.992 -22.252 -1.897
283 HA LYS 32 HA LYS 32 24.821 -24.269 -1.169
284 HB2 LYS 32 HB2 LYS 32 21.954 -24.379 -1.070
285 HB3 LYS 32 HB1 LYS 32 22.580 -25.976 -1.482
286 HG2 LYS 32 HG2 LYS 32 24.153 -25.829 0.443
287 HG3 LYS 32 HG1 LYS 32 23.439 -24.277 0.881
288 HD2 LYS 32 HD2 LYS 32 21.940 -26.910 0.708
289 HD3 LYS 32 HD1 LYS 32 22.455 -26.125 2.202
290 HE2 LYS 32 HE2 LYS 32 20.291 -25.319 2.069
291 HE3 LYS 32 HE1 LYS 32 21.129 -24.064 1.158
292 HZ1 LYS 32 HZ1 LYS 32 20.180 -24.704 -0.746
293 HZ2 LYS 32 HZ2 LYS 32 19.047 -25.499 0.240
294 HZ3 LYS 32 HZ3 LYS 32 20.361 -26.357 -0.412
Start of MODEL 16
1 H1 LYS 1 HT1 LYS 1 23.362 19.481 -0.645
2 H2 LYS 1 HT2 LYS 1 24.240 18.617 -1.815
3 H3 LYS 1 HT3 LYS 1 23.993 17.951 -0.273
4 HA LYS 1 HA LYS 1 21.492 18.214 -0.868
5 HB2 LYS 1 HB2 LYS 1 22.569 17.681 -3.619
6 HB3 LYS 1 HB1 LYS 1 20.979 18.274 -3.140
7 HG2 LYS 1 HG2 LYS 1 22.327 20.342 -2.240
8 HG3 LYS 1 HG1 LYS 1 23.569 19.779 -3.357
9 HD2 LYS 1 HD2 LYS 1 22.388 21.124 -4.804
10 HD3 LYS 1 HD1 LYS 1 21.461 19.636 -5.007
11 HE2 LYS 1 HE2 LYS 1 19.968 20.448 -3.113
12 HE3 LYS 1 HE1 LYS 1 20.788 22.004 -3.247
13 HZ1 LYS 1 HZ1 LYS 1 20.091 22.192 -5.513
14 HZ2 LYS 1 HZ2 LYS 1 18.722 21.862 -4.560
15 HZ3 LYS 1 HZ3 LYS 1 19.424 20.631 -5.498
16 H LYS 2 HN LYS 2 24.439 16.541 -1.259
17 HA LYS 2 HA LYS 2 23.848 14.053 -2.211
18 HB2 LYS 2 HB2 LYS 2 26.076 14.714 -1.379
19 HB3 LYS 2 HB1 LYS 2 25.473 14.641 0.277
20 HG2 LYS 2 HG2 LYS 2 25.239 12.310 0.229
21 HG3 LYS 2 HG1 LYS 2 25.192 12.255 -1.534
22 HD2 LYS 2 HD2 LYS 2 27.357 11.428 -0.622
23 HD3 LYS 2 HD1 LYS 2 27.560 12.849 -1.650
24 HE2 LYS 2 HE2 LYS 2 27.841 14.292 0.229
25 HE3 LYS 2 HE1 LYS 2 27.262 13.061 1.352
26 HZ1 LYS 2 HZ1 LYS 2 29.882 13.531 0.528
27 HZ2 LYS 2 HZ2 LYS 2 29.424 12.022 -0.104
28 HZ3 LYS 2 HZ3 LYS 2 29.317 12.315 1.566
29 H HIS 3 HN HIS 3 23.506 12.000 -0.945
30 HA HIS 3 HA HIS 3 20.978 11.993 0.270
31 HB2 HIS 3 HB2 HIS 3 22.084 10.031 -0.815
32 HB3 HIS 3 HB1 HIS 3 23.152 9.911 0.583
33 HD2 HIS 3 HD2 HIS 3 21.760 7.360 1.072
34 HE1 HIS 3 HE1 HIS 3 18.304 9.259 2.579
35 HE2 HIS 3 HE2 HIS 3 19.514 7.037 2.367
36 H THR 4 HN THR 4 22.534 10.064 2.360
37 HA THR 4 HA THR 4 22.651 12.143 4.465
38 HB THR 4 HB THR 4 20.823 10.658 4.930
39 HG1 THR 4 HG1 THR 4 21.589 9.728 6.861
40 HG21 THR 4 HG21 THR 4 20.831 8.577 4.089
41 HG22 THR 4 HG22 THR 4 22.072 8.129 5.254
42 HG23 THR 4 HG23 THR 4 22.533 8.727 3.660
43 H ILE 5 HN ILE 5 23.572 9.160 5.593
44 HA ILE 5 HA ILE 5 26.429 9.867 5.364
45 HB ILE 5 HB ILE 5 26.588 8.241 7.362
46 HG12 ILE 5 HG12 ILE 5 23.822 8.993 8.065
47 HG13 ILE 5 HG11 ILE 5 23.946 7.802 6.771
48 HG21 ILE 5 HG21 ILE 5 25.196 10.927 7.530
49 HG22 ILE 5 HG22 ILE 5 26.930 10.621 7.635
50 HG23 ILE 5 HG23 ILE 5 25.859 10.077 8.926
51 HD11 ILE 5 HD11 ILE 5 25.280 6.340 8.142
52 HD12 ILE 5 HD12 ILE 5 23.863 6.804 9.084
53 HD13 ILE 5 HD13 ILE 5 25.420 7.567 9.400
54 H TRP 6 HN TRP 6 24.027 7.464 4.684
55 HA TRP 6 HA TRP 6 25.399 5.113 4.445
56 HB2 TRP 6 HB2 TRP 6 23.046 6.274 3.249
57 HB3 TRP 6 HB1 TRP 6 23.917 5.311 2.057
58 HD1 TRP 6 HD1 TRP 6 22.624 3.108 2.011
59 HE1 TRP 6 HE1 TRP 6 21.956 1.341 3.757
60 HE3 TRP 6 HE3 TRP 6 24.022 5.527 6.276
61 HZ2 TRP 6 HZ2 TRP 6 22.007 1.000 6.591
62 HZ3 TRP 6 HZ3 TRP 6 23.701 4.461 8.490
63 HH2 TRP 6 HH2 TRP 6 22.695 2.201 8.654
64 H GLU 7 HN GLU 7 25.167 7.554 1.846
65 HA GLU 7 HA GLU 7 27.004 6.318 0.112
66 HB2 GLU 7 HB2 GLU 7 25.555 8.808 0.266
67 HB3 GLU 7 HB1 GLU 7 27.192 9.078 -0.329
68 HG2 GLU 7 HG2 GLU 7 25.322 6.957 -1.416
69 HG3 GLU 7 HG1 GLU 7 25.532 8.549 -2.143
70 H VAL 8 HN VAL 8 27.629 7.417 3.127
71 HA VAL 8 HA VAL 8 30.390 8.238 2.470
72 HB VAL 8 HB VAL 8 29.047 8.745 5.115
73 HG11 VAL 8 HG11 VAL 8 31.013 10.588 3.877
74 HG12 VAL 8 HG12 VAL 8 31.631 9.003 4.341
75 HG13 VAL 8 HG13 VAL 8 30.876 10.044 5.549
76 HG21 VAL 8 HG21 VAL 8 27.616 9.735 3.358
77 HG22 VAL 8 HG22 VAL 8 29.029 10.519 2.651
78 HG23 VAL 8 HG23 VAL 8 28.465 10.994 4.253
79 H ILE 9 HN ILE 9 28.373 6.147 4.463
80 HA ILE 9 HA ILE 9 30.794 4.673 5.285
81 HB ILE 9 HB ILE 9 29.944 5.367 7.301
82 HG12 ILE 9 HG12 ILE 9 29.623 2.710 6.872
83 HG13 ILE 9 HG11 ILE 9 29.279 3.491 8.402
84 HG21 ILE 9 HG21 ILE 9 28.126 6.670 6.582
85 HG22 ILE 9 HG22 ILE 9 27.447 5.534 7.739
86 HG23 ILE 9 HG23 ILE 9 27.229 5.267 6.007
87 HD11 ILE 9 HD11 ILE 9 26.946 3.547 8.001
88 HD12 ILE 9 HD12 ILE 9 27.454 1.944 7.470
89 HD13 ILE 9 HD13 ILE 9 27.143 3.205 6.286
90 H ALA 10 HN ALA 10 27.409 4.385 4.279
91 HA ALA 10 HA ALA 10 27.533 1.536 3.937
92 HB1 ALA 10 HB1 ALA 10 25.591 3.508 2.710
93 HB2 ALA 10 HB2 ALA 10 25.408 2.782 4.308
94 HB3 ALA 10 HB3 ALA 10 25.365 1.766 2.868
95 H GLY 11 HN GLY 11 27.059 4.091 1.478
96 HA2 GLY 11 HA2 GLY 11 27.662 2.570 -0.761
97 HA3 GLY 11 HA1 GLY 11 27.941 4.309 -0.647
98 H LEU 12 HN LEU 12 29.650 3.460 1.820
99 HA LEU 12 HA LEU 12 32.115 3.083 0.272
100 HB2 LEU 12 HB2 LEU 12 31.807 5.075 1.851
101 HB3 LEU 12 HB1 LEU 12 31.932 3.908 3.167
102 HG LEU 12 HG LEU 12 34.081 3.141 1.769
103 HD11 LEU 12 HD11 LEU 12 33.844 6.110 1.190
104 HD12 LEU 12 HD12 LEU 12 33.654 4.832 -0.011
105 HD13 LEU 12 HD13 LEU 12 35.211 5.073 0.782
106 HD21 LEU 12 HD21 LEU 12 34.108 3.852 4.111
107 HD22 LEU 12 HD22 LEU 12 33.941 5.539 3.625
108 HD23 LEU 12 HD23 LEU 12 35.415 4.653 3.239
109 H VAL 13 HN VAL 13 30.078 1.649 2.713
110 HA VAL 13 HA VAL 13 32.043 -0.543 3.053
111 HB VAL 13 HB VAL 13 29.798 0.287 4.908
112 HG11 VAL 13 HG11 VAL 13 30.083 -2.059 5.140
113 HG12 VAL 13 HG12 VAL 13 31.063 -1.358 6.429
114 HG13 VAL 13 HG13 VAL 13 31.833 -1.944 4.955
115 HG21 VAL 13 HG21 VAL 13 32.067 1.655 4.636
116 HG22 VAL 13 HG22 VAL 13 32.713 0.333 5.608
117 HG23 VAL 13 HG23 VAL 13 31.400 1.329 6.235
118 H ALA 14 HN ALA 14 28.517 0.044 3.005
119 HA ALA 14 HA ALA 14 27.571 -2.503 2.748
120 HB1 ALA 14 HB1 ALA 14 25.687 -1.596 1.515
121 HB2 ALA 14 HB2 ALA 14 26.620 -0.167 1.073
122 HB3 ALA 14 HB3 ALA 14 26.168 -0.438 2.755
123 H LEU 15 HN LEU 15 28.816 -0.472 0.096
124 HA LEU 15 HA LEU 15 28.479 -2.425 -1.925
125 HB2 LEU 15 HB2 LEU 15 28.846 -0.007 -2.382
126 HB3 LEU 15 HB1 LEU 15 30.501 -0.169 -1.801
127 HG LEU 15 HG LEU 15 30.944 -1.859 -3.568
128 HD11 LEU 15 HD11 LEU 15 29.057 -1.697 -5.455
129 HD12 LEU 15 HD12 LEU 15 28.026 -1.416 -4.053
130 HD13 LEU 15 HD13 LEU 15 28.971 -2.902 -4.169
131 HD21 LEU 15 HD21 LEU 15 29.753 0.712 -4.654
132 HD22 LEU 15 HD22 LEU 15 30.969 -0.292 -5.444
133 HD23 LEU 15 HD23 LEU 15 31.367 0.569 -3.956
134 H LEU 16 HN LEU 16 30.957 -1.812 0.450
135 HA LEU 16 HA LEU 16 32.731 -3.830 -0.712
136 HB2 LEU 16 HB2 LEU 16 33.210 -2.240 1.803
137 HB3 LEU 16 HB1 LEU 16 34.400 -3.024 0.762
138 HG LEU 16 HG LEU 16 32.680 -0.632 0.056
139 HD11 LEU 16 HD11 LEU 16 35.692 -0.827 0.067
140 HD12 LEU 16 HD12 LEU 16 34.797 -0.403 1.527
141 HD13 LEU 16 HD13 LEU 16 34.687 0.621 0.096
142 HD21 LEU 16 HD21 LEU 16 34.211 -0.737 -2.043
143 HD22 LEU 16 HD22 LEU 16 32.840 -1.843 -1.958
144 HD23 LEU 16 HD23 LEU 16 34.462 -2.423 -1.588
145 H THR 17 HN THR 17 30.063 -3.929 1.112
146 HA THR 17 HA THR 17 31.034 -6.213 2.716
147 HB THR 17 HB THR 17 29.217 -3.962 3.467
148 HG1 THR 17 HG1 THR 17 30.624 -5.106 5.420
149 HG21 THR 17 HG21 THR 17 27.732 -5.735 3.919
150 HG22 THR 17 HG22 THR 17 28.575 -5.499 5.449
151 HG23 THR 17 HG23 THR 17 29.039 -6.825 4.385
152 H PHE 18 HN PHE 18 27.991 -4.768 1.535
153 HA PHE 18 HA PHE 18 26.313 -6.895 1.549
154 HB2 PHE 18 HB2 PHE 18 26.027 -4.487 0.548
155 HB3 PHE 18 HB1 PHE 18 26.453 -5.277 -0.972
156 HD1 PHE 18 HD2 PHE 18 24.133 -5.524 1.948
157 HD2 PHE 18 HD1 PHE 18 24.847 -6.520 -2.169
158 HE1 PHE 18 HE2 PHE 18 21.824 -6.410 1.762
159 HE2 PHE 18 HE1 PHE 18 22.538 -7.406 -2.354
160 HZ PHE 18 HZ PHE 18 21.026 -7.350 -0.389
161 H LEU 19 HN LEU 19 28.759 -6.242 -0.947
162 HA LEU 19 HA LEU 19 28.161 -8.615 -2.451
163 HB2 LEU 19 HB2 LEU 19 30.371 -6.573 -2.498
164 HB3 LEU 19 HB1 LEU 19 30.488 -8.037 -3.469
165 HG LEU 19 HG LEU 19 29.469 -6.057 -4.672
166 HD11 LEU 19 HD11 LEU 19 28.703 -8.757 -4.720
167 HD12 LEU 19 HD12 LEU 19 28.370 -7.549 -5.958
168 HD13 LEU 19 HD13 LEU 19 27.186 -7.860 -4.691
169 HD21 LEU 19 HD21 LEU 19 27.308 -5.264 -4.056
170 HD22 LEU 19 HD22 LEU 19 28.230 -5.321 -2.553
171 HD23 LEU 19 HD23 LEU 19 27.065 -6.592 -2.921
172 H ALA 20 HN ALA 20 30.965 -7.673 -0.443
173 HA ALA 20 HA ALA 20 32.446 -9.950 -0.463
174 HB1 ALA 20 HB1 ALA 20 33.542 -8.798 1.109
175 HB2 ALA 20 HB2 ALA 20 32.271 -9.180 2.271
176 HB3 ALA 20 HB3 ALA 20 32.157 -7.719 1.290
177 H PHE 21 HN PHE 21 29.791 -9.358 1.855
178 HA PHE 21 HA PHE 21 29.790 -12.084 2.766
179 HB2 PHE 21 HB2 PHE 21 27.900 -9.765 3.203
180 HB3 PHE 21 HB1 PHE 21 27.665 -11.356 3.930
181 HD1 PHE 21 HD2 PHE 21 30.259 -8.680 3.540
182 HD2 PHE 21 HD1 PHE 21 28.703 -11.861 5.971
183 HE1 PHE 21 HE2 PHE 21 31.870 -8.097 5.333
184 HE2 PHE 21 HE1 PHE 21 30.315 -11.278 7.764
185 HZ PHE 21 HZ PHE 21 31.898 -9.397 7.445
186 H GLY 22 HN GLY 22 27.657 -10.112 0.720
187 HA2 GLY 22 HA2 GLY 22 25.622 -11.859 0.171
188 HA3 GLY 22 HA1 GLY 22 26.270 -10.734 -1.017
189 H PHE 23 HN PHE 23 28.644 -11.585 -1.718
190 HA PHE 23 HA PHE 23 28.368 -13.563 -3.543
191 HB2 PHE 23 HB2 PHE 23 30.582 -12.246 -2.293
192 HB3 PHE 23 HB1 PHE 23 30.960 -13.960 -2.454
193 HD1 PHE 23 HD2 PHE 23 29.974 -14.965 -4.817
194 HD2 PHE 23 HD1 PHE 23 31.250 -10.928 -4.097
195 HE1 PHE 23 HE2 PHE 23 30.375 -14.659 -7.245
196 HE2 PHE 23 HE1 PHE 23 31.653 -10.622 -6.523
197 HZ PHE 23 HZ PHE 23 31.216 -12.488 -8.098
198 H TRP 24 HN TRP 24 29.999 -14.229 -0.444
199 HA TRP 24 HA TRP 24 29.896 -17.009 -0.596
200 HB2 TRP 24 HB2 TRP 24 31.297 -16.080 1.064
201 HB3 TRP 24 HB1 TRP 24 29.986 -15.115 1.745
202 HD1 TRP 24 HD1 TRP 24 30.742 -18.869 1.174
203 HE1 TRP 24 HE1 TRP 24 29.847 -20.182 3.205
204 HE3 TRP 24 HE3 TRP 24 28.687 -15.050 3.848
205 HZ2 TRP 24 HZ2 TRP 24 28.445 -19.675 5.640
206 HZ3 TRP 24 HZ3 TRP 24 27.575 -15.486 6.023
207 HH2 TRP 24 HH2 TRP 24 27.452 -17.794 6.921
208 H LEU 25 HN LEU 25 27.832 -15.032 1.515
209 HA LEU 25 HA LEU 25 25.995 -16.574 2.530
210 HB2 LEU 25 HB2 LEU 25 25.692 -13.996 1.103
211 HB3 LEU 25 HB1 LEU 25 24.207 -14.861 1.494
212 HG LEU 25 HG LEU 25 26.345 -14.524 3.571
213 HD11 LEU 25 HD11 LEU 25 25.896 -12.266 2.678
214 HD12 LEU 25 HD12 LEU 25 25.244 -12.442 4.308
215 HD13 LEU 25 HD13 LEU 25 24.167 -12.519 2.913
216 HD21 LEU 25 HD21 LEU 25 24.709 -15.197 5.030
217 HD22 LEU 25 HD22 LEU 25 24.015 -15.911 3.575
218 HD23 LEU 25 HD23 LEU 25 23.438 -14.348 4.152
219 H PHE 26 HN PHE 26 25.269 -15.455 -0.782
220 HA PHE 26 HA PHE 26 23.284 -17.406 -1.198
221 HB2 PHE 26 HB2 PHE 26 24.860 -16.207 -3.454
222 HB3 PHE 26 HB1 PHE 26 23.150 -16.624 -3.398
223 HD1 PHE 26 HD2 PHE 26 21.925 -15.440 -1.247
224 HD2 PHE 26 HD1 PHE 26 25.311 -13.925 -3.415
225 HE1 PHE 26 HE2 PHE 26 21.373 -13.144 -0.500
226 HE2 PHE 26 HE1 PHE 26 24.758 -11.625 -2.662
227 HZ PHE 26 HZ PHE 26 22.789 -11.234 -1.206
228 H LYS 27 HN LYS 27 26.533 -17.234 -2.664
229 HA LYS 27 HA LYS 27 26.458 -19.771 -3.845
230 HB2 LYS 27 HB2 LYS 27 28.681 -17.912 -3.055
231 HB3 LYS 27 HB1 LYS 27 29.041 -19.507 -3.713
232 HG2 LYS 27 HG2 LYS 27 28.928 -17.682 -5.449
233 HG3 LYS 27 HG1 LYS 27 27.823 -19.022 -5.744
234 HD2 LYS 27 HD2 LYS 27 25.949 -17.762 -4.934
235 HD3 LYS 27 HD1 LYS 27 27.003 -16.500 -4.297
236 HE2 LYS 27 HE2 LYS 27 27.399 -15.583 -6.373
237 HE3 LYS 27 HE1 LYS 27 27.208 -17.126 -7.205
238 HZ1 LYS 27 HZ1 LYS 27 24.833 -17.014 -6.812
239 HZ2 LYS 27 HZ2 LYS 27 25.359 -15.635 -7.654
240 HZ3 LYS 27 HZ3 LYS 27 25.011 -15.538 -5.995
241 H TYR 28 HN TYR 28 25.778 -19.678 -0.853
242 HA TYR 28 HA TYR 28 27.244 -22.110 -0.191
243 HB2 TYR 28 HB2 TYR 28 28.632 -21.043 1.219
244 HB3 TYR 28 HB1 TYR 28 27.725 -19.541 1.102
245 HD1 TYR 28 HD1 TYR 28 27.365 -22.981 2.551
246 HD2 TYR 28 HD2 TYR 28 26.626 -18.775 3.006
247 HE1 TYR 28 HE1 TYR 28 26.392 -23.395 4.797
248 HE2 TYR 28 HE2 TYR 28 25.652 -19.189 5.251
249 HH TYR 28 HH TYR 28 24.607 -21.041 6.487
250 H LEU 29 HN LEU 29 24.812 -19.732 0.889
251 HA LEU 29 HA LEU 29 23.321 -21.851 2.245
252 HB2 LEU 29 HB2 LEU 29 23.564 -19.026 2.562
253 HB3 LEU 29 HB1 LEU 29 21.877 -19.394 2.209
254 HG LEU 29 HG LEU 29 23.536 -20.795 4.320
255 HD11 LEU 29 HD11 LEU 29 22.224 -18.239 4.346
256 HD12 LEU 29 HD12 LEU 29 23.076 -19.047 5.662
257 HD13 LEU 29 HD13 LEU 29 21.354 -19.337 5.418
258 HD21 LEU 29 HD21 LEU 29 20.704 -20.979 4.687
259 HD22 LEU 29 HD22 LEU 29 21.847 -22.284 4.367
260 HD23 LEU 29 HD23 LEU 29 21.070 -21.441 3.025
261 H GLN 30 HN GLN 30 23.122 -19.811 -0.605
262 HA GLN 30 HA GLN 30 20.447 -20.756 -1.276
263 HB2 GLN 30 HB2 GLN 30 20.895 -18.474 -1.835
264 HB3 GLN 30 HB1 GLN 30 22.387 -18.905 -2.659
265 HG2 GLN 30 HG2 GLN 30 21.287 -19.842 -4.480
266 HG3 GLN 30 HG1 GLN 30 19.784 -20.067 -3.581
267 HE21 GLN 30 HE21 GLN 30 21.180 -16.995 -2.946
268 HE22 GLN 30 HE22 GLN 30 20.219 -16.089 -4.009
269 H LYS 31 HN LYS 31 23.533 -21.963 -1.555
270 HA LYS 31 HA LYS 31 22.883 -23.477 -4.014
271 HB2 LYS 31 HB2 LYS 31 25.408 -22.373 -2.912
272 HB3 LYS 31 HB1 LYS 31 25.511 -23.960 -3.675
273 HG2 LYS 31 HG2 LYS 31 25.896 -22.142 -5.312
274 HG3 LYS 31 HG1 LYS 31 24.448 -23.068 -5.707
275 HD2 LYS 31 HD2 LYS 31 23.006 -21.361 -5.016
276 HD3 LYS 31 HD1 LYS 31 24.227 -20.616 -3.982
277 HE2 LYS 31 HE2 LYS 31 25.501 -19.929 -5.984
278 HE3 LYS 31 HE1 LYS 31 24.272 -20.660 -7.015
279 HZ1 LYS 31 HZ1 LYS 31 22.646 -19.142 -6.176
280 HZ2 LYS 31 HZ2 LYS 31 23.989 -18.244 -6.701
281 HZ3 LYS 31 HZ3 LYS 31 23.736 -18.509 -5.042
282 H LYS 32 HN LYS 32 22.345 -23.867 -0.952
283 HA LYS 32 HA LYS 32 23.572 -26.525 -0.651
284 HB2 LYS 32 HB2 LYS 32 22.882 -26.384 1.683
285 HB3 LYS 32 HB1 LYS 32 23.769 -24.925 1.237
286 HG2 LYS 32 HG2 LYS 32 21.995 -23.774 2.035
287 HG3 LYS 32 HG1 LYS 32 21.141 -24.303 0.586
288 HD2 LYS 32 HD2 LYS 32 20.397 -26.342 1.791
289 HD3 LYS 32 HD1 LYS 32 21.203 -25.757 3.247
290 HE2 LYS 32 HE2 LYS 32 19.777 -23.750 3.244
291 HE3 LYS 32 HE1 LYS 32 18.978 -24.315 1.777
292 HZ1 LYS 32 HZ1 LYS 32 18.993 -26.328 3.782
293 HZ2 LYS 32 HZ2 LYS 32 17.676 -25.642 2.957
294 HZ3 LYS 32 HZ3 LYS 32 18.276 -24.907 4.366
Start of MODEL 17
1 H1 LYS 1 HT1 LYS 1 23.827 17.293 -4.638
2 H2 LYS 1 HT2 LYS 1 22.827 16.168 -5.429
3 H3 LYS 1 HT3 LYS 1 24.416 15.744 -5.001
4 HA LYS 1 HA LYS 1 22.989 16.623 -2.717
5 HB2 LYS 1 HB2 LYS 1 21.270 14.961 -2.614
6 HB3 LYS 1 HB1 LYS 1 21.091 15.752 -4.181
7 HG2 LYS 1 HG2 LYS 1 22.665 13.867 -5.050
8 HG3 LYS 1 HG1 LYS 1 22.218 13.029 -3.566
9 HD2 LYS 1 HD2 LYS 1 19.767 13.830 -4.416
10 HD3 LYS 1 HD1 LYS 1 20.582 13.622 -5.966
11 HE2 LYS 1 HE2 LYS 1 20.325 11.554 -3.765
12 HE3 LYS 1 HE1 LYS 1 19.554 11.510 -5.350
13 HZ1 LYS 1 HZ1 LYS 1 21.408 10.167 -5.600
14 HZ2 LYS 1 HZ2 LYS 1 22.408 11.184 -4.677
15 HZ3 LYS 1 HZ3 LYS 1 21.930 11.648 -6.241
16 H LYS 2 HN LYS 2 22.711 14.069 -1.572
17 HA LYS 2 HA LYS 2 24.976 12.408 -2.030
18 HB2 LYS 2 HB2 LYS 2 25.467 14.763 -0.499
19 HB3 LYS 2 HB1 LYS 2 25.543 13.385 0.597
20 HG2 LYS 2 HG2 LYS 2 27.015 13.557 -2.049
21 HG3 LYS 2 HG1 LYS 2 27.741 13.888 -0.477
22 HD2 LYS 2 HD2 LYS 2 26.344 11.354 -0.415
23 HD3 LYS 2 HD1 LYS 2 27.507 11.378 -1.739
24 HE2 LYS 2 HE2 LYS 2 28.096 12.041 1.160
25 HE3 LYS 2 HE1 LYS 2 28.589 10.578 0.308
26 HZ1 LYS 2 HZ1 LYS 2 29.584 12.358 -1.335
27 HZ2 LYS 2 HZ2 LYS 2 30.447 11.821 0.027
28 HZ3 LYS 2 HZ3 LYS 2 29.616 13.303 0.073
29 H HIS 3 HN HIS 3 22.048 12.400 -1.433
30 HA HIS 3 HA HIS 3 20.520 11.227 -0.171
31 HB2 HIS 3 HB2 HIS 3 21.865 9.419 -1.236
32 HB3 HIS 3 HB1 HIS 3 22.886 9.381 0.200
33 HD2 HIS 3 HD2 HIS 3 21.751 6.686 0.553
34 HE1 HIS 3 HE1 HIS 3 18.074 8.167 2.004
35 HE2 HIS 3 HE2 HIS 3 19.510 6.088 1.757
36 H THR 4 HN THR 4 22.222 9.429 1.936
37 HA THR 4 HA THR 4 22.023 11.445 4.097
38 HB THR 4 HB THR 4 20.307 9.768 4.394
39 HG1 THR 4 HG1 THR 4 20.930 9.046 6.398
40 HG21 THR 4 HG21 THR 4 22.289 8.059 3.237
41 HG22 THR 4 HG22 THR 4 20.599 7.697 3.583
42 HG23 THR 4 HG23 THR 4 21.830 7.397 4.806
43 H ILE 5 HN ILE 5 23.124 8.602 5.313
44 HA ILE 5 HA ILE 5 25.930 9.499 5.163
45 HB ILE 5 HB ILE 5 26.130 7.926 7.194
46 HG12 ILE 5 HG12 ILE 5 23.287 8.449 7.778
47 HG13 ILE 5 HG11 ILE 5 23.557 7.265 6.499
48 HG21 ILE 5 HG21 ILE 5 26.335 10.163 7.756
49 HG22 ILE 5 HG22 ILE 5 24.837 9.777 8.603
50 HG23 ILE 5 HG23 ILE 5 24.782 10.592 7.040
51 HD11 ILE 5 HD11 ILE 5 25.048 7.134 9.118
52 HD12 ILE 5 HD12 ILE 5 24.836 5.862 7.914
53 HD13 ILE 5 HD13 ILE 5 23.471 6.370 8.909
54 H TRP 6 HN TRP 6 23.733 6.949 4.387
55 HA TRP 6 HA TRP 6 25.248 4.680 4.254
56 HB2 TRP 6 HB2 TRP 6 22.900 5.684 2.930
57 HB3 TRP 6 HB1 TRP 6 23.894 4.796 1.777
58 HD1 TRP 6 HD1 TRP 6 22.781 2.499 1.651
59 HE1 TRP 6 HE1 TRP 6 22.146 0.676 3.353
60 HE3 TRP 6 HE3 TRP 6 23.738 4.992 5.995
61 HZ2 TRP 6 HZ2 TRP 6 22.058 0.324 6.185
62 HZ3 TRP 6 HZ3 TRP 6 23.372 3.891 8.186
63 HH2 TRP 6 HH2 TRP 6 22.532 1.560 8.287
64 H GLU 7 HN GLU 7 25.034 7.085 1.621
65 HA GLU 7 HA GLU 7 27.045 5.941 0.018
66 HB2 GLU 7 HB2 GLU 7 25.435 8.336 0.044
67 HB3 GLU 7 HB1 GLU 7 27.088 8.708 -0.444
68 HG2 GLU 7 HG2 GLU 7 25.441 6.457 -1.628
69 HG3 GLU 7 HG1 GLU 7 25.590 8.055 -2.357
70 H VAL 8 HN VAL 8 27.421 7.091 3.051
71 HA VAL 8 HA VAL 8 30.159 8.085 2.552
72 HB VAL 8 HB VAL 8 28.629 8.524 5.108
73 HG11 VAL 8 HG11 VAL 8 31.239 8.938 4.466
74 HG12 VAL 8 HG12 VAL 8 30.358 9.907 5.647
75 HG13 VAL 8 HG13 VAL 8 30.543 10.487 3.992
76 HG21 VAL 8 HG21 VAL 8 27.962 10.724 4.196
77 HG22 VAL 8 HG22 VAL 8 27.259 9.417 3.244
78 HG23 VAL 8 HG23 VAL 8 28.664 10.291 2.637
79 H ILE 9 HN ILE 9 28.163 5.869 4.423
80 HA ILE 9 HA ILE 9 30.615 4.563 5.413
81 HB ILE 9 HB ILE 9 29.598 5.211 7.365
82 HG12 ILE 9 HG12 ILE 9 29.475 2.536 6.940
83 HG13 ILE 9 HG11 ILE 9 28.992 3.300 8.440
84 HG21 ILE 9 HG21 ILE 9 27.750 6.389 6.522
85 HG22 ILE 9 HG22 ILE 9 27.075 5.218 7.646
86 HG23 ILE 9 HG23 ILE 9 26.981 4.928 5.906
87 HD11 ILE 9 HD11 ILE 9 27.011 2.866 6.201
88 HD12 ILE 9 HD12 ILE 9 26.686 3.206 7.895
89 HD13 ILE 9 HD13 ILE 9 27.327 1.636 7.417
90 H ALA 10 HN ALA 10 27.325 4.063 4.198
91 HA ALA 10 HA ALA 10 27.641 1.227 3.887
92 HB1 ALA 10 HB1 ALA 10 25.664 3.065 2.522
93 HB2 ALA 10 HB2 ALA 10 25.431 2.353 4.118
94 HB3 ALA 10 HB3 ALA 10 25.532 1.316 2.696
95 H GLY 11 HN GLY 11 27.176 3.745 1.389
96 HA2 GLY 11 HA2 GLY 11 28.001 2.256 -0.800
97 HA3 GLY 11 HA1 GLY 11 28.173 4.007 -0.679
98 H LEU 12 HN LEU 12 29.770 3.301 1.886
99 HA LEU 12 HA LEU 12 32.348 3.060 0.507
100 HB2 LEU 12 HB2 LEU 12 31.832 5.020 2.060
101 HB3 LEU 12 HB1 LEU 12 31.910 3.857 3.384
102 HG LEU 12 HG LEU 12 34.198 3.209 2.128
103 HD11 LEU 12 HD11 LEU 12 35.304 5.233 1.306
104 HD12 LEU 12 HD12 LEU 12 33.854 6.183 1.629
105 HD13 LEU 12 HD13 LEU 12 33.834 4.942 0.377
106 HD21 LEU 12 HD21 LEU 12 34.262 3.741 4.427
107 HD22 LEU 12 HD22 LEU 12 33.611 5.360 4.161
108 HD23 LEU 12 HD23 LEU 12 35.270 4.988 3.692
109 H VAL 13 HN VAL 13 30.248 1.511 2.822
110 HA VAL 13 HA VAL 13 32.276 -0.613 3.213
111 HB VAL 13 HB VAL 13 30.011 0.139 5.076
112 HG11 VAL 13 HG11 VAL 13 32.275 -1.869 5.258
113 HG12 VAL 13 HG12 VAL 13 30.548 -2.223 5.214
114 HG13 VAL 13 HG13 VAL 13 31.246 -1.416 6.617
115 HG21 VAL 13 HG21 VAL 13 32.488 1.410 4.686
116 HG22 VAL 13 HG22 VAL 13 32.725 0.383 6.099
117 HG23 VAL 13 HG23 VAL 13 31.432 1.581 6.087
118 H ALA 14 HN ALA 14 28.731 -0.142 3.284
119 HA ALA 14 HA ALA 14 27.889 -2.724 2.980
120 HB1 ALA 14 HB1 ALA 14 25.936 -1.828 1.755
121 HB2 ALA 14 HB2 ALA 14 26.783 -0.296 1.544
122 HB3 ALA 14 HB3 ALA 14 26.332 -0.840 3.161
123 H LEU 15 HN LEU 15 29.078 -0.565 0.425
124 HA LEU 15 HA LEU 15 28.675 -2.441 -1.687
125 HB2 LEU 15 HB2 LEU 15 28.932 0.017 -2.046
126 HB3 LEU 15 HB1 LEU 15 30.621 -0.118 -1.563
127 HG LEU 15 HG LEU 15 31.006 -1.728 -3.418
128 HD11 LEU 15 HD11 LEU 15 29.021 -1.514 -5.200
129 HD12 LEU 15 HD12 LEU 15 28.060 -1.335 -3.733
130 HD13 LEU 15 HD13 LEU 15 29.031 -2.785 -3.977
131 HD21 LEU 15 HD21 LEU 15 31.353 0.733 -3.710
132 HD22 LEU 15 HD22 LEU 15 29.712 0.855 -4.344
133 HD23 LEU 15 HD23 LEU 15 30.927 -0.081 -5.215
134 H LEU 16 HN LEU 16 31.243 -1.776 0.589
135 HA LEU 16 HA LEU 16 33.044 -3.690 -0.699
136 HB2 LEU 16 HB2 LEU 16 33.535 -2.184 1.868
137 HB3 LEU 16 HB1 LEU 16 34.724 -2.886 0.769
138 HG LEU 16 HG LEU 16 32.914 -0.520 0.211
139 HD11 LEU 16 HD11 LEU 16 35.094 -0.321 1.616
140 HD12 LEU 16 HD12 LEU 16 34.872 0.791 0.266
141 HD13 LEU 16 HD13 LEU 16 35.925 -0.611 0.089
142 HD21 LEU 16 HD21 LEU 16 34.386 -0.499 -1.938
143 HD22 LEU 16 HD22 LEU 16 33.037 -1.633 -1.862
144 HD23 LEU 16 HD23 LEU 16 34.682 -2.197 -1.565
145 H THR 17 HN THR 17 30.431 -3.964 1.156
146 HA THR 17 HA THR 17 31.500 -6.274 2.658
147 HB THR 17 HB THR 17 29.703 -4.063 3.537
148 HG1 THR 17 HG1 THR 17 32.052 -4.881 4.123
149 HG21 THR 17 HG21 THR 17 29.438 -6.962 4.329
150 HG22 THR 17 HG22 THR 17 28.163 -5.833 3.871
151 HG23 THR 17 HG23 THR 17 28.979 -5.660 5.424
152 H PHE 18 HN PHE 18 28.358 -4.886 1.686
153 HA PHE 18 HA PHE 18 26.827 -7.139 1.588
154 HB2 PHE 18 HB2 PHE 18 26.263 -4.674 0.957
155 HB3 PHE 18 HB1 PHE 18 26.668 -5.181 -0.684
156 HD1 PHE 18 HD2 PHE 18 24.416 -5.780 2.196
157 HD2 PHE 18 HD1 PHE 18 25.252 -6.689 -1.919
158 HE1 PHE 18 HE2 PHE 18 22.190 -6.848 1.979
159 HE2 PHE 18 HE1 PHE 18 23.026 -7.758 -2.136
160 HZ PHE 18 HZ PHE 18 21.493 -7.838 -0.186
161 H LEU 19 HN LEU 19 29.124 -6.039 -0.879
162 HA LEU 19 HA LEU 19 28.516 -8.177 -2.702
163 HB2 LEU 19 HB2 LEU 19 30.673 -6.081 -2.546
164 HB3 LEU 19 HB1 LEU 19 30.747 -7.366 -3.749
165 HG LEU 19 HG LEU 19 29.631 -5.257 -4.565
166 HD11 LEU 19 HD11 LEU 19 28.405 -6.530 -5.972
167 HD12 LEU 19 HD12 LEU 19 27.365 -7.097 -4.666
168 HD13 LEU 19 HD13 LEU 19 28.891 -7.912 -4.994
169 HD21 LEU 19 HD21 LEU 19 27.535 -4.571 -3.682
170 HD22 LEU 19 HD22 LEU 19 28.543 -4.877 -2.266
171 HD23 LEU 19 HD23 LEU 19 27.343 -6.067 -2.769
172 H ALA 20 HN ALA 20 30.560 -7.812 0.053
173 HA ALA 20 HA ALA 20 32.294 -10.036 -0.670
174 HB1 ALA 20 HB1 ALA 20 33.675 -9.092 0.817
175 HB2 ALA 20 HB2 ALA 20 32.479 -9.294 2.099
176 HB3 ALA 20 HB3 ALA 20 32.465 -7.841 1.100
177 H PHE 21 HN PHE 21 29.823 -9.325 1.790
178 HA PHE 21 HA PHE 21 29.806 -12.051 2.747
179 HB2 PHE 21 HB2 PHE 21 28.102 -9.630 3.349
180 HB3 PHE 21 HB1 PHE 21 27.825 -11.208 4.087
181 HD1 PHE 21 HD2 PHE 21 30.613 -8.779 3.439
182 HD2 PHE 21 HD1 PHE 21 28.929 -11.716 6.085
183 HE1 PHE 21 HE2 PHE 21 32.399 -8.314 5.093
184 HE2 PHE 21 HE1 PHE 21 30.716 -11.251 7.738
185 HZ PHE 21 HZ PHE 21 32.451 -9.550 7.242
186 H GLY 22 HN GLY 22 27.853 -10.030 0.630
187 HA2 GLY 22 HA2 GLY 22 25.639 -11.767 0.356
188 HA3 GLY 22 HA1 GLY 22 26.110 -10.519 -0.790
189 H PHE 23 HN PHE 23 28.469 -11.267 -1.777
190 HA PHE 23 HA PHE 23 27.971 -13.093 -3.736
191 HB2 PHE 23 HB2 PHE 23 29.954 -11.998 -4.108
192 HB3 PHE 23 HB1 PHE 23 30.461 -12.125 -2.423
193 HD1 PHE 23 HD2 PHE 23 30.102 -13.995 -5.608
194 HD2 PHE 23 HD1 PHE 23 31.707 -14.000 -1.624
195 HE1 PHE 23 HE2 PHE 23 31.445 -16.006 -6.152
196 HE2 PHE 23 HE1 PHE 23 33.049 -16.011 -2.168
197 HZ PHE 23 HZ PHE 23 32.919 -17.016 -4.433
198 H TRP 24 HN TRP 24 29.199 -13.732 -0.484
199 HA TRP 24 HA TRP 24 29.447 -16.581 -0.947
200 HB2 TRP 24 HB2 TRP 24 31.013 -15.669 0.586
201 HB3 TRP 24 HB1 TRP 24 29.749 -14.829 1.487
202 HD1 TRP 24 HD1 TRP 24 30.420 -18.505 0.465
203 HE1 TRP 24 HE1 TRP 24 29.888 -20.007 2.493
204 HE3 TRP 24 HE3 TRP 24 28.947 -14.960 3.810
205 HZ2 TRP 24 HZ2 TRP 24 28.960 -19.732 5.181
206 HZ3 TRP 24 HZ3 TRP 24 28.242 -15.600 6.102
207 HH2 TRP 24 HH2 TRP 24 28.245 -17.982 6.790
208 H LEU 25 HN LEU 25 27.673 -14.844 1.585
209 HA LEU 25 HA LEU 25 25.975 -16.467 2.671
210 HB2 LEU 25 HB2 LEU 25 25.474 -13.787 1.514
211 HB3 LEU 25 HB1 LEU 25 24.060 -14.704 2.030
212 HG LEU 25 HG LEU 25 26.461 -14.494 3.819
213 HD11 LEU 25 HD11 LEU 25 25.454 -12.503 4.867
214 HD12 LEU 25 HD12 LEU 25 24.192 -12.492 3.637
215 HD13 LEU 25 HD13 LEU 25 25.868 -12.183 3.184
216 HD21 LEU 25 HD21 LEU 25 24.150 -15.916 4.022
217 HD22 LEU 25 HD22 LEU 25 23.674 -14.421 4.827
218 HD23 LEU 25 HD23 LEU 25 25.060 -15.339 5.417
219 H PHE 26 HN PHE 26 25.176 -15.275 -0.606
220 HA PHE 26 HA PHE 26 23.028 -17.137 -0.883
221 HB2 PHE 26 HB2 PHE 26 24.393 -15.745 -3.174
222 HB3 PHE 26 HB1 PHE 26 22.699 -16.224 -3.026
223 HD1 PHE 26 HD1 PHE 26 21.646 -15.278 -0.652
224 HD2 PHE 26 HD2 PHE 26 24.740 -13.445 -3.000
225 HE1 PHE 26 HE1 PHE 26 21.104 -13.081 0.350
226 HE2 PHE 26 HE2 PHE 26 24.198 -11.245 -1.996
227 HZ PHE 26 HZ PHE 26 22.383 -11.064 -0.318
228 H LYS 27 HN LYS 27 26.110 -16.902 -2.701
229 HA LYS 27 HA LYS 27 25.828 -19.467 -3.872
230 HB2 LYS 27 HB2 LYS 27 28.285 -17.749 -3.481
231 HB3 LYS 27 HB1 LYS 27 28.220 -19.193 -4.492
232 HG2 LYS 27 HG2 LYS 27 26.781 -18.208 -6.045
233 HG3 LYS 27 HG1 LYS 27 26.195 -17.011 -4.888
234 HD2 LYS 27 HD2 LYS 27 27.966 -15.603 -5.242
235 HD3 LYS 27 HD1 LYS 27 29.099 -16.928 -5.510
236 HE2 LYS 27 HE2 LYS 27 28.407 -15.431 -7.539
237 HE3 LYS 27 HE1 LYS 27 28.477 -17.180 -7.753
238 HZ1 LYS 27 HZ1 LYS 27 25.948 -16.263 -6.755
239 HZ2 LYS 27 HZ2 LYS 27 26.288 -17.296 -8.060
240 HZ3 LYS 27 HZ3 LYS 27 26.325 -15.612 -8.275
241 H TYR 28 HN TYR 28 25.528 -19.535 -0.972
242 HA TYR 28 HA TYR 28 27.282 -21.785 -0.442
243 HB2 TYR 28 HB2 TYR 28 28.785 -20.515 0.681
244 HB3 TYR 28 HB1 TYR 28 27.680 -19.147 0.808
245 HD1 TYR 28 HD2 TYR 28 28.390 -22.531 2.193
246 HD2 TYR 28 HD1 TYR 28 26.457 -18.745 2.784
247 HE1 TYR 28 HE2 TYR 28 27.861 -23.168 4.534
248 HE2 TYR 28 HE1 TYR 28 25.924 -19.380 5.124
249 HH TYR 28 HH TYR 28 26.646 -20.883 6.827
250 H LEU 29 HN LEU 29 24.883 -19.511 0.854
251 HA LEU 29 HA LEU 29 23.701 -21.653 2.466
252 HB2 LEU 29 HB2 LEU 29 24.131 -19.229 3.278
253 HB3 LEU 29 HB1 LEU 29 22.705 -18.816 2.327
254 HG LEU 29 HG LEU 29 21.829 -21.027 3.686
255 HD11 LEU 29 HD11 LEU 29 23.990 -20.992 4.987
256 HD12 LEU 29 HD12 LEU 29 22.544 -20.854 5.988
257 HD13 LEU 29 HD13 LEU 29 23.509 -19.421 5.630
258 HD21 LEU 29 HD21 LEU 29 21.726 -18.126 4.569
259 HD22 LEU 29 HD22 LEU 29 20.626 -19.392 5.115
260 HD23 LEU 29 HD23 LEU 29 20.630 -18.896 3.421
261 H GLN 30 HN GLN 30 23.077 -19.692 -0.362
262 HA GLN 30 HA GLN 30 20.353 -20.749 -0.625
263 HB2 GLN 30 HB2 GLN 30 20.549 -18.403 -1.078
264 HB3 GLN 30 HB1 GLN 30 21.913 -18.667 -2.156
265 HG2 GLN 30 HG2 GLN 30 20.600 -19.529 -3.855
266 HG3 GLN 30 HG1 GLN 30 19.305 -20.003 -2.754
267 HE21 GLN 30 HE21 GLN 30 20.543 -16.839 -2.126
268 HE22 GLN 30 HE22 GLN 30 19.298 -15.969 -2.883
269 H LYS 31 HN LYS 31 23.457 -21.630 -1.461
270 HA LYS 31 HA LYS 31 22.539 -23.120 -3.851
271 HB2 LYS 31 HB2 LYS 31 25.098 -21.757 -3.175
272 HB3 LYS 31 HB1 LYS 31 25.199 -23.261 -4.092
273 HG2 LYS 31 HG2 LYS 31 25.033 -21.228 -5.547
274 HG3 LYS 31 HG1 LYS 31 23.722 -22.378 -5.806
275 HD2 LYS 31 HD2 LYS 31 22.143 -21.022 -4.786
276 HD3 LYS 31 HD1 LYS 31 23.338 -20.209 -3.777
277 HE2 LYS 31 HE2 LYS 31 23.554 -19.857 -6.736
278 HE3 LYS 31 HE1 LYS 31 22.253 -19.008 -5.905
279 HZ1 LYS 31 HZ1 LYS 31 24.020 -18.232 -4.308
280 HZ2 LYS 31 HZ2 LYS 31 24.085 -17.568 -5.871
281 HZ3 LYS 31 HZ3 LYS 31 25.165 -18.801 -5.423
282 H LYS 32 HN LYS 32 22.616 -23.685 -0.788
283 HA LYS 32 HA LYS 32 24.312 -26.070 -0.751
284 HB2 LYS 32 HB2 LYS 32 23.645 -26.211 1.628
285 HB3 LYS 32 HB1 LYS 32 24.332 -24.636 1.230
286 HG2 LYS 32 HG2 LYS 32 22.459 -23.724 2.095
287 HG3 LYS 32 HG1 LYS 32 21.608 -24.351 0.684
288 HD2 LYS 32 HD2 LYS 32 21.182 -26.470 1.882
289 HD3 LYS 32 HD1 LYS 32 22.018 -25.832 3.297
290 HE2 LYS 32 HE2 LYS 32 20.069 -24.934 3.975
291 HE3 LYS 32 HE1 LYS 32 20.129 -23.865 2.573
292 HZ1 LYS 32 HZ1 LYS 32 18.475 -24.975 1.637
293 HZ2 LYS 32 HZ2 LYS 32 18.302 -25.877 3.066
294 HZ3 LYS 32 HZ3 LYS 32 19.286 -26.455 1.808
Start of MODEL 18
1 H1 LYS 1 HT1 LYS 1 23.917 19.090 -0.167
2 H2 LYS 1 HT2 LYS 1 25.438 19.026 0.584
3 H3 LYS 1 HT3 LYS 1 24.207 20.001 1.234
4 HA LYS 1 HA LYS 1 24.733 17.695 2.283
5 HB2 LYS 1 HB2 LYS 1 22.908 19.257 2.940
6 HB3 LYS 1 HB1 LYS 1 21.900 18.584 1.659
7 HG2 LYS 1 HG2 LYS 1 21.999 16.372 2.693
8 HG3 LYS 1 HG1 LYS 1 23.094 16.977 3.936
9 HD2 LYS 1 HD2 LYS 1 21.357 17.692 5.170
10 HD3 LYS 1 HD1 LYS 1 20.771 18.668 3.821
11 HE2 LYS 1 HE2 LYS 1 20.216 15.716 4.240
12 HE3 LYS 1 HE1 LYS 1 19.066 17.027 4.502
13 HZ1 LYS 1 HZ1 LYS 1 19.886 17.532 2.011
14 HZ2 LYS 1 HZ2 LYS 1 18.512 16.606 2.386
15 HZ3 LYS 1 HZ3 LYS 1 19.985 15.839 2.028
16 H LYS 2 HN LYS 2 25.513 16.078 0.912
17 HA LYS 2 HA LYS 2 23.838 14.989 -1.190
18 HB2 LYS 2 HB2 LYS 2 26.348 15.100 -1.324
19 HB3 LYS 2 HB1 LYS 2 26.411 13.863 -0.067
20 HG2 LYS 2 HG2 LYS 2 24.571 12.896 -1.960
21 HG3 LYS 2 HG1 LYS 2 25.905 13.555 -2.906
22 HD2 LYS 2 HD2 LYS 2 27.483 12.265 -1.406
23 HD3 LYS 2 HD1 LYS 2 26.069 11.472 -0.714
24 HE2 LYS 2 HE2 LYS 2 27.045 10.111 -2.525
25 HE3 LYS 2 HE1 LYS 2 25.423 10.658 -2.949
26 HZ1 LYS 2 HZ1 LYS 2 27.465 10.932 -4.578
27 HZ2 LYS 2 HZ2 LYS 2 27.662 12.374 -3.703
28 HZ3 LYS 2 HZ3 LYS 2 26.205 12.066 -4.520
29 H HIS 3 HN HIS 3 22.198 13.670 -0.742
30 HA HIS 3 HA HIS 3 20.836 12.230 0.460
31 HB2 HIS 3 HB2 HIS 3 22.434 10.785 -0.852
32 HB3 HIS 3 HB1 HIS 3 23.403 10.641 0.614
33 HD2 HIS 3 HD2 HIS 3 22.633 7.846 0.730
34 HE1 HIS 3 HE1 HIS 3 18.642 8.658 1.837
35 HE2 HIS 3 HE2 HIS 3 20.397 6.836 1.628
36 H THR 4 HN THR 4 22.652 10.360 2.323
37 HA THR 4 HA THR 4 22.472 12.131 4.690
38 HB THR 4 HB THR 4 20.717 10.514 4.891
39 HG1 THR 4 HG1 THR 4 21.602 9.220 6.653
40 HG21 THR 4 HG21 THR 4 22.564 8.847 3.446
41 HG22 THR 4 HG22 THR 4 20.854 8.574 3.772
42 HG23 THR 4 HG23 THR 4 22.065 8.020 4.922
43 H ILE 5 HN ILE 5 23.525 9.041 5.409
44 HA ILE 5 HA ILE 5 26.362 9.875 5.301
45 HB ILE 5 HB ILE 5 26.551 8.254 7.298
46 HG12 ILE 5 HG12 ILE 5 23.786 8.943 8.033
47 HG13 ILE 5 HG11 ILE 5 23.902 7.785 6.709
48 HG21 ILE 5 HG21 ILE 5 25.750 10.080 8.861
49 HG22 ILE 5 HG22 ILE 5 25.126 10.923 7.442
50 HG23 ILE 5 HG23 ILE 5 26.858 10.622 7.600
51 HD11 ILE 5 HD11 ILE 5 23.878 6.813 9.085
52 HD12 ILE 5 HD12 ILE 5 25.507 7.468 9.243
53 HD13 ILE 5 HD13 ILE 5 25.160 6.255 8.012
54 H TRP 6 HN TRP 6 24.002 7.446 4.586
55 HA TRP 6 HA TRP 6 25.381 5.107 4.358
56 HB2 TRP 6 HB2 TRP 6 23.074 6.277 3.086
57 HB3 TRP 6 HB1 TRP 6 23.989 5.323 1.920
58 HD1 TRP 6 HD1 TRP 6 22.707 3.111 1.818
59 HE1 TRP 6 HE1 TRP 6 21.982 1.337 3.535
60 HE3 TRP 6 HE3 TRP 6 23.938 5.526 6.137
61 HZ2 TRP 6 HZ2 TRP 6 21.931 0.991 6.369
62 HZ3 TRP 6 HZ3 TRP 6 23.542 4.453 8.336
63 HH2 TRP 6 HH2 TRP 6 22.540 2.187 8.457
64 H GLU 7 HN GLU 7 25.186 7.476 1.686
65 HA GLU 7 HA GLU 7 27.100 6.273 0.050
66 HB2 GLU 7 HB2 GLU 7 25.767 8.872 0.226
67 HB3 GLU 7 HB1 GLU 7 27.367 8.943 -0.513
68 HG2 GLU 7 HG2 GLU 7 25.294 6.897 -1.323
69 HG3 GLU 7 HG1 GLU 7 25.424 8.472 -2.105
70 H VAL 8 HN VAL 8 27.610 7.497 3.083
71 HA VAL 8 HA VAL 8 30.403 8.256 2.505
72 HB VAL 8 HB VAL 8 29.007 8.741 5.127
73 HG11 VAL 8 HG11 VAL 8 30.819 10.061 5.598
74 HG12 VAL 8 HG12 VAL 8 31.019 10.565 3.919
75 HG13 VAL 8 HG13 VAL 8 31.602 8.984 4.441
76 HG21 VAL 8 HG21 VAL 8 29.051 10.546 2.686
77 HG22 VAL 8 HG22 VAL 8 28.442 10.994 4.279
78 HG23 VAL 8 HG23 VAL 8 27.621 9.752 3.339
79 H ILE 9 HN ILE 9 28.349 6.144 4.445
80 HA ILE 9 HA ILE 9 30.756 4.667 5.300
81 HB ILE 9 HB ILE 9 29.844 5.357 7.297
82 HG12 ILE 9 HG12 ILE 9 29.603 2.693 6.843
83 HG13 ILE 9 HG11 ILE 9 29.219 3.453 8.374
84 HG21 ILE 9 HG21 ILE 9 27.336 5.455 7.680
85 HG22 ILE 9 HG22 ILE 9 27.161 5.181 5.945
86 HG23 ILE 9 HG23 ILE 9 28.007 6.608 6.535
87 HD11 ILE 9 HD11 ILE 9 27.121 3.121 6.223
88 HD12 ILE 9 HD12 ILE 9 26.887 3.456 7.933
89 HD13 ILE 9 HD13 ILE 9 27.447 1.868 7.415
90 H ALA 10 HN ALA 10 27.389 4.363 4.234
91 HA ALA 10 HA ALA 10 27.517 1.524 3.878
92 HB1 ALA 10 HB1 ALA 10 25.388 2.778 4.172
93 HB2 ALA 10 HB2 ALA 10 25.391 1.772 2.723
94 HB3 ALA 10 HB3 ALA 10 25.634 3.513 2.589
95 H GLY 11 HN GLY 11 27.144 4.079 1.403
96 HA2 GLY 11 HA2 GLY 11 27.813 2.551 -0.812
97 HA3 GLY 11 HA1 GLY 11 28.099 4.288 -0.691
98 H LEU 12 HN LEU 12 29.719 3.442 1.830
99 HA LEU 12 HA LEU 12 32.231 3.049 0.368
100 HB2 LEU 12 HB2 LEU 12 31.891 5.041 1.933
101 HB3 LEU 12 HB1 LEU 12 31.946 3.874 3.255
102 HG LEU 12 HG LEU 12 34.143 3.086 1.921
103 HD11 LEU 12 HD11 LEU 12 34.241 6.074 1.546
104 HD12 LEU 12 HD12 LEU 12 33.610 5.032 0.271
105 HD13 LEU 12 HD13 LEU 12 35.272 4.837 0.828
106 HD21 LEU 12 HD21 LEU 12 35.430 4.556 3.485
107 HD22 LEU 12 HD22 LEU 12 34.097 3.716 4.279
108 HD23 LEU 12 HD23 LEU 12 33.936 5.419 3.852
109 H VAL 13 HN VAL 13 30.107 1.630 2.739
110 HA VAL 13 HA VAL 13 32.039 -0.585 3.131
111 HB VAL 13 HB VAL 13 29.770 0.293 4.936
112 HG11 VAL 13 HG11 VAL 13 30.936 -1.379 6.489
113 HG12 VAL 13 HG12 VAL 13 31.769 -1.973 5.052
114 HG13 VAL 13 HG13 VAL 13 30.011 -2.070 5.154
115 HG21 VAL 13 HG21 VAL 13 31.384 1.265 6.318
116 HG22 VAL 13 HG22 VAL 13 32.038 1.634 4.722
117 HG23 VAL 13 HG23 VAL 13 32.690 0.284 5.651
118 H ALA 14 HN ALA 14 28.518 0.039 3.034
119 HA ALA 14 HA ALA 14 27.556 -2.499 2.743
120 HB1 ALA 14 HB1 ALA 14 26.680 -0.042 1.204
121 HB2 ALA 14 HB2 ALA 14 26.079 -0.559 2.779
122 HB3 ALA 14 HB3 ALA 14 25.742 -1.528 1.345
123 H LEU 15 HN LEU 15 28.854 -0.455 0.127
124 HA LEU 15 HA LEU 15 28.526 -2.386 -1.917
125 HB2 LEU 15 HB2 LEU 15 28.914 0.035 -2.347
126 HB3 LEU 15 HB1 LEU 15 30.562 -0.144 -1.747
127 HG LEU 15 HG LEU 15 31.015 -1.820 -3.524
128 HD11 LEU 15 HD11 LEU 15 29.151 -1.628 -5.431
129 HD12 LEU 15 HD12 LEU 15 28.106 -1.359 -4.037
130 HD13 LEU 15 HD13 LEU 15 29.045 -2.847 -4.159
131 HD21 LEU 15 HD21 LEU 15 30.157 0.128 -5.379
132 HD22 LEU 15 HD22 LEU 15 31.743 0.010 -4.615
133 HD23 LEU 15 HD23 LEU 15 30.480 0.998 -3.879
134 H LEU 16 HN LEU 16 30.982 -1.809 0.492
135 HA LEU 16 HA LEU 16 32.753 -3.832 -0.668
136 HB2 LEU 16 HB2 LEU 16 33.218 -2.263 1.864
137 HB3 LEU 16 HB1 LEU 16 34.413 -3.051 0.833
138 HG LEU 16 HG LEU 16 32.727 -0.634 0.129
139 HD11 LEU 16 HD11 LEU 16 35.735 -0.858 0.139
140 HD12 LEU 16 HD12 LEU 16 34.850 -0.465 1.613
141 HD13 LEU 16 HD13 LEU 16 34.739 0.596 0.209
142 HD21 LEU 16 HD21 LEU 16 34.268 -0.743 -1.963
143 HD22 LEU 16 HD22 LEU 16 32.884 -1.834 -1.894
144 HD23 LEU 16 HD23 LEU 16 34.500 -2.434 -1.518
145 H THR 17 HN THR 17 30.065 -3.927 1.120
146 HA THR 17 HA THR 17 30.999 -6.230 2.721
147 HB THR 17 HB THR 17 29.197 -3.965 3.466
148 HG1 THR 17 HG1 THR 17 31.538 -4.567 4.096
149 HG21 THR 17 HG21 THR 17 28.501 -5.510 5.424
150 HG22 THR 17 HG22 THR 17 28.965 -6.834 4.358
151 HG23 THR 17 HG23 THR 17 27.680 -5.725 3.879
152 H PHE 18 HN PHE 18 27.977 -4.754 1.524
153 HA PHE 18 HA PHE 18 26.284 -6.865 1.497
154 HB2 PHE 18 HB2 PHE 18 26.021 -4.450 0.520
155 HB3 PHE 18 HB1 PHE 18 26.473 -5.217 -1.003
156 HD1 PHE 18 HD2 PHE 18 24.088 -5.480 1.861
157 HD2 PHE 18 HD1 PHE 18 24.891 -6.457 -2.244
158 HE1 PHE 18 HE2 PHE 18 21.777 -6.348 1.615
159 HE2 PHE 18 HE1 PHE 18 22.581 -7.326 -2.489
160 HZ PHE 18 HZ PHE 18 21.025 -7.271 -0.560
161 H LEU 19 HN LEU 19 28.777 -6.218 -0.952
162 HA LEU 19 HA LEU 19 28.174 -8.565 -2.495
163 HB2 LEU 19 HB2 LEU 19 30.415 -6.557 -2.473
164 HB3 LEU 19 HB1 LEU 19 30.526 -8.010 -3.462
165 HG LEU 19 HG LEU 19 29.565 -6.000 -4.661
166 HD11 LEU 19 HD11 LEU 19 27.250 -7.768 -4.728
167 HD12 LEU 19 HD12 LEU 19 28.756 -8.684 -4.758
168 HD13 LEU 19 HD13 LEU 19 28.449 -7.453 -5.981
169 HD21 LEU 19 HD21 LEU 19 28.304 -5.266 -2.554
170 HD22 LEU 19 HD22 LEU 19 27.120 -6.507 -2.959
171 HD23 LEU 19 HD23 LEU 19 27.411 -5.170 -4.072
172 H ALA 20 HN ALA 20 30.985 -7.684 -0.467
173 HA ALA 20 HA ALA 20 32.417 -9.987 -0.470
174 HB1 ALA 20 HB1 ALA 20 33.515 -8.861 1.120
175 HB2 ALA 20 HB2 ALA 20 32.224 -9.219 2.266
176 HB3 ALA 20 HB3 ALA 20 32.151 -7.756 1.284
177 H PHE 21 HN PHE 21 29.755 -9.357 1.833
178 HA PHE 21 HA PHE 21 29.705 -12.081 2.743
179 HB2 PHE 21 HB2 PHE 21 27.844 -9.733 3.142
180 HB3 PHE 21 HB1 PHE 21 27.551 -11.319 3.853
181 HD1 PHE 21 HD1 PHE 21 30.252 -8.738 3.526
182 HD2 PHE 21 HD2 PHE 21 28.490 -11.827 5.937
183 HE1 PHE 21 HE1 PHE 21 31.830 -8.206 5.364
184 HE2 PHE 21 HE2 PHE 21 30.068 -11.294 7.773
185 HZ PHE 21 HZ PHE 21 31.739 -9.484 7.487
186 H GLY 22 HN GLY 22 27.557 -10.091 0.720
187 HA2 GLY 22 HA2 GLY 22 25.545 -11.824 0.115
188 HA3 GLY 22 HA1 GLY 22 26.218 -10.699 -1.058
189 H PHE 23 HN PHE 23 28.579 -11.549 -1.756
190 HA PHE 23 HA PHE 23 28.318 -13.522 -3.581
191 HB2 PHE 23 HB2 PHE 23 30.527 -12.213 -2.318
192 HB3 PHE 23 HB1 PHE 23 30.902 -13.928 -2.463
193 HD1 PHE 23 HD2 PHE 23 29.913 -14.940 -4.832
194 HD2 PHE 23 HD1 PHE 23 31.244 -10.918 -4.121
195 HE1 PHE 23 HE2 PHE 23 30.342 -14.652 -7.258
196 HE2 PHE 23 HE1 PHE 23 31.674 -10.631 -6.546
197 HZ PHE 23 HZ PHE 23 31.223 -12.498 -8.115
198 H TRP 24 HN TRP 24 29.914 -14.207 -0.464
199 HA TRP 24 HA TRP 24 29.786 -16.989 -0.650
200 HB2 TRP 24 HB2 TRP 24 31.210 -16.107 1.010
201 HB3 TRP 24 HB1 TRP 24 29.923 -15.118 1.705
202 HD1 TRP 24 HD1 TRP 24 30.539 -18.891 1.075
203 HE1 TRP 24 HE1 TRP 24 29.646 -20.197 3.112
204 HE3 TRP 24 HE3 TRP 24 28.719 -15.031 3.856
205 HZ2 TRP 24 HZ2 TRP 24 28.334 -19.668 5.592
206 HZ3 TRP 24 HZ3 TRP 24 27.650 -15.454 6.056
207 HH2 TRP 24 HH2 TRP 24 27.456 -17.767 6.926
208 H LEU 25 HN LEU 25 27.760 -15.008 1.493
209 HA LEU 25 HA LEU 25 25.910 -16.499 2.529
210 HB2 LEU 25 HB2 LEU 25 25.615 -13.958 1.037
211 HB3 LEU 25 HB1 LEU 25 24.127 -14.803 1.461
212 HG LEU 25 HG LEU 25 26.288 -14.404 3.504
213 HD11 LEU 25 HD11 LEU 25 25.178 -12.316 4.201
214 HD12 LEU 25 HD12 LEU 25 24.071 -12.445 2.835
215 HD13 LEU 25 HD13 LEU 25 25.791 -12.177 2.554
216 HD21 LEU 25 HD21 LEU 25 24.697 -15.097 4.992
217 HD22 LEU 25 HD22 LEU 25 23.941 -15.797 3.563
218 HD23 LEU 25 HD23 LEU 25 23.406 -14.228 4.163
219 H PHE 26 HN PHE 26 25.273 -15.498 -0.841
220 HA PHE 26 HA PHE 26 23.253 -17.466 -1.186
221 HB2 PHE 26 HB2 PHE 26 24.758 -16.208 -3.460
222 HB3 PHE 26 HB1 PHE 26 23.068 -16.702 -3.398
223 HD1 PHE 26 HD1 PHE 26 21.701 -15.563 -1.387
224 HD2 PHE 26 HD2 PHE 26 25.210 -13.934 -3.256
225 HE1 PHE 26 HE1 PHE 26 21.055 -13.299 -0.621
226 HE2 PHE 26 HE2 PHE 26 24.562 -11.665 -2.485
227 HZ PHE 26 HZ PHE 26 22.485 -11.347 -1.168
228 H LYS 27 HN LYS 27 26.501 -17.228 -2.644
229 HA LYS 27 HA LYS 27 26.446 -19.764 -3.857
230 HB2 LYS 27 HB2 LYS 27 28.650 -17.870 -3.089
231 HB3 LYS 27 HB1 LYS 27 29.021 -19.452 -3.770
232 HG2 LYS 27 HG2 LYS 27 28.846 -17.596 -5.477
233 HG3 LYS 27 HG1 LYS 27 27.779 -18.964 -5.779
234 HD2 LYS 27 HD2 LYS 27 25.878 -17.768 -4.936
235 HD3 LYS 27 HD1 LYS 27 26.899 -16.485 -4.295
236 HE2 LYS 27 HE2 LYS 27 25.865 -15.754 -6.391
237 HE3 LYS 27 HE1 LYS 27 27.610 -15.918 -6.603
238 HZ1 LYS 27 HZ1 LYS 27 27.373 -17.689 -7.954
239 HZ2 LYS 27 HZ2 LYS 27 25.847 -17.005 -8.248
240 HZ3 LYS 27 HZ3 LYS 27 26.008 -18.285 -7.143
241 H TYR 28 HN TYR 28 25.816 -19.650 -0.854
242 HA TYR 28 HA TYR 28 27.333 -22.056 -0.183
243 HB2 TYR 28 HB2 TYR 28 28.684 -20.949 1.235
244 HB3 TYR 28 HB1 TYR 28 27.745 -19.465 1.091
245 HD1 TYR 28 HD2 TYR 28 27.536 -22.883 2.603
246 HD2 TYR 28 HD1 TYR 28 26.498 -18.728 2.924
247 HE1 TYR 28 HE2 TYR 28 26.525 -23.306 4.831
248 HE2 TYR 28 HE1 TYR 28 25.485 -19.152 5.149
249 HH TYR 28 HH TYR 28 25.360 -20.662 6.853
250 H LEU 29 HN LEU 29 24.912 -19.706 0.976
251 HA LEU 29 HA LEU 29 23.453 -21.790 2.375
252 HB2 LEU 29 HB2 LEU 29 23.730 -19.155 2.873
253 HB3 LEU 29 HB1 LEU 29 22.222 -19.124 1.959
254 HG LEU 29 HG LEU 29 22.778 -20.836 4.398
255 HD11 LEU 29 HD11 LEU 29 21.089 -18.361 3.951
256 HD12 LEU 29 HD12 LEU 29 22.460 -18.534 5.048
257 HD13 LEU 29 HD13 LEU 29 20.953 -19.390 5.378
258 HD21 LEU 29 HD21 LEU 29 20.174 -21.088 4.117
259 HD22 LEU 29 HD22 LEU 29 21.252 -22.097 3.154
260 HD23 LEU 29 HD23 LEU 29 20.506 -20.669 2.437
261 H GLN 30 HN GLN 30 23.084 -19.811 -0.520
262 HA GLN 30 HA GLN 30 20.514 -21.009 -1.167
263 HB2 GLN 30 HB2 GLN 30 20.754 -18.707 -1.758
264 HB3 GLN 30 HB1 GLN 30 22.284 -19.008 -2.574
265 HG2 GLN 30 HG2 GLN 30 21.276 -20.048 -4.394
266 HG3 GLN 30 HG1 GLN 30 19.805 -20.420 -3.493
267 HE21 GLN 30 HE21 GLN 30 20.875 -17.218 -2.871
268 HE22 GLN 30 HE22 GLN 30 19.828 -16.421 -3.939
269 H LYS 31 HN LYS 31 23.680 -21.955 -1.410
270 HA LYS 31 HA LYS 31 23.127 -23.664 -3.764
271 HB2 LYS 31 HB2 LYS 31 25.523 -22.092 -2.986
272 HB3 LYS 31 HB1 LYS 31 25.818 -23.701 -3.642
273 HG2 LYS 31 HG2 LYS 31 25.770 -21.990 -5.430
274 HG3 LYS 31 HG1 LYS 31 24.466 -23.163 -5.621
275 HD2 LYS 31 HD2 LYS 31 22.833 -21.641 -5.113
276 HD3 LYS 31 HD1 LYS 31 23.853 -20.766 -3.971
277 HE2 LYS 31 HE2 LYS 31 25.115 -19.783 -5.852
278 HE3 LYS 31 HE1 LYS 31 24.102 -20.665 -6.995
279 HZ1 LYS 31 HZ1 LYS 31 22.188 -19.478 -6.241
280 HZ2 LYS 31 HZ2 LYS 31 23.394 -18.344 -6.626
281 HZ3 LYS 31 HZ3 LYS 31 23.068 -18.724 -5.002
282 H LYS 32 HN LYS 32 22.174 -25.179 -2.228
283 HA LYS 32 HA LYS 32 24.209 -26.970 -1.160
284 HB2 LYS 32 HB2 LYS 32 22.687 -27.124 0.984
285 HB3 LYS 32 HB1 LYS 32 23.938 -25.886 0.865
286 HG2 LYS 32 HG2 LYS 32 21.763 -24.954 1.634
287 HG3 LYS 32 HG1 LYS 32 22.286 -24.246 0.107
288 HD2 LYS 32 HD2 LYS 32 20.733 -25.528 -1.148
289 HD3 LYS 32 HD1 LYS 32 20.453 -26.644 0.190
290 HE2 LYS 32 HE2 LYS 32 18.917 -25.283 1.160
291 HE3 LYS 32 HE1 LYS 32 19.864 -23.832 0.837
292 HZ1 LYS 32 HZ1 LYS 32 18.073 -25.275 -1.031
293 HZ2 LYS 32 HZ2 LYS 32 19.165 -24.075 -1.536
294 HZ3 LYS 32 HZ3 LYS 32 17.911 -23.687 -0.457
Start of MODEL 19
1 H1 LYS 1 HT1 LYS 1 19.524 18.922 -2.254
2 H2 LYS 1 HT2 LYS 1 20.697 18.073 -3.143
3 H3 LYS 1 HT3 LYS 1 21.135 19.450 -2.249
4 HA LYS 1 HA LYS 1 21.666 18.132 -0.570
5 HB2 LYS 1 HB2 LYS 1 19.383 18.810 0.138
6 HB3 LYS 1 HB1 LYS 1 18.730 17.370 -0.644
7 HG2 LYS 1 HG2 LYS 1 19.911 15.915 0.854
8 HG3 LYS 1 HG1 LYS 1 20.864 17.251 1.499
9 HD2 LYS 1 HD2 LYS 1 19.250 17.804 2.973
10 HD3 LYS 1 HD1 LYS 1 18.005 17.766 1.723
11 HE2 LYS 1 HE2 LYS 1 19.137 15.335 3.142
12 HE3 LYS 1 HE1 LYS 1 17.569 16.072 3.472
13 HZ1 LYS 1 HZ1 LYS 1 16.742 14.822 1.860
14 HZ2 LYS 1 HZ2 LYS 1 18.282 14.244 1.433
15 HZ3 LYS 1 HZ3 LYS 1 17.685 15.675 0.739
16 H LYS 2 HN LYS 2 22.143 15.961 0.092
17 HA LYS 2 HA LYS 2 22.017 14.060 -2.146
18 HB2 LYS 2 HB2 LYS 2 24.193 14.733 -0.899
19 HB3 LYS 2 HB1 LYS 2 23.609 13.665 0.376
20 HG2 LYS 2 HG2 LYS 2 23.219 12.080 -1.800
21 HG3 LYS 2 HG1 LYS 2 24.634 12.997 -2.320
22 HD2 LYS 2 HD2 LYS 2 24.373 11.431 0.265
23 HD3 LYS 2 HD1 LYS 2 25.345 10.973 -1.134
24 HE2 LYS 2 HE2 LYS 2 27.005 12.039 0.027
25 HE3 LYS 2 HE1 LYS 2 26.295 13.475 -0.710
26 HZ1 LYS 2 HZ1 LYS 2 25.246 12.452 1.842
27 HZ2 LYS 2 HZ2 LYS 2 25.194 14.030 1.217
28 HZ3 LYS 2 HZ3 LYS 2 26.650 13.402 1.829
29 H HIS 3 HN HIS 3 22.667 11.938 -0.065
30 HA HIS 3 HA HIS 3 19.870 11.271 0.548
31 HB2 HIS 3 HB2 HIS 3 21.097 9.598 -0.728
32 HB3 HIS 3 HB1 HIS 3 22.366 9.558 0.494
33 HD2 HIS 3 HD2 HIS 3 21.607 6.790 1.005
34 HE1 HIS 3 HE1 HIS 3 17.989 7.813 2.920
35 HE2 HIS 3 HE2 HIS 3 19.617 5.923 2.457
36 H THR 4 HN THR 4 22.614 9.926 2.244
37 HA THR 4 HA THR 4 22.146 11.537 4.625
38 HB THR 4 HB THR 4 20.447 9.794 4.871
39 HG1 THR 4 HG1 THR 4 21.377 8.815 6.803
40 HG21 THR 4 HG21 THR 4 20.796 7.725 4.082
41 HG22 THR 4 HG22 THR 4 22.116 7.491 5.220
42 HG23 THR 4 HG23 THR 4 22.435 8.181 3.627
43 H ILE 5 HN ILE 5 23.332 8.727 5.721
44 HA ILE 5 HA ILE 5 26.120 9.601 5.338
45 HB ILE 5 HB ILE 5 26.478 8.007 7.333
46 HG12 ILE 5 HG12 ILE 5 23.709 8.538 8.178
47 HG13 ILE 5 HG11 ILE 5 23.838 7.383 6.853
48 HG21 ILE 5 HG21 ILE 5 25.221 9.883 8.816
49 HG22 ILE 5 HG22 ILE 5 25.228 10.703 7.254
50 HG23 ILE 5 HG23 ILE 5 26.749 10.187 7.987
51 HD11 ILE 5 HD11 ILE 5 25.559 7.175 9.322
52 HD12 ILE 5 HD12 ILE 5 25.243 5.937 8.106
53 HD13 ILE 5 HD13 ILE 5 23.969 6.419 9.226
54 H TRP 6 HN TRP 6 23.871 7.036 4.739
55 HA TRP 6 HA TRP 6 25.371 4.778 4.452
56 HB2 TRP 6 HB2 TRP 6 22.943 5.809 3.283
57 HB3 TRP 6 HB1 TRP 6 23.859 4.901 2.079
58 HD1 TRP 6 HD1 TRP 6 22.701 2.620 2.043
59 HE1 TRP 6 HE1 TRP 6 22.161 0.816 3.797
60 HE3 TRP 6 HE3 TRP 6 23.988 5.124 6.294
61 HZ2 TRP 6 HZ2 TRP 6 22.263 0.480 6.631
62 HZ3 TRP 6 HZ3 TRP 6 23.757 4.043 8.511
63 HH2 TRP 6 HH2 TRP 6 22.897 1.722 8.686
64 H GLU 7 HN GLU 7 24.875 7.053 1.741
65 HA GLU 7 HA GLU 7 26.775 5.998 0.021
66 HB2 GLU 7 HB2 GLU 7 25.334 8.524 0.306
67 HB3 GLU 7 HB1 GLU 7 26.905 8.707 -0.474
68 HG2 GLU 7 HG2 GLU 7 24.903 6.593 -1.294
69 HG3 GLU 7 HG1 GLU 7 24.965 8.189 -2.038
70 H VAL 8 HN VAL 8 27.349 7.372 3.034
71 HA VAL 8 HA VAL 8 30.085 8.196 2.316
72 HB VAL 8 HB VAL 8 28.818 8.616 5.013
73 HG11 VAL 8 HG11 VAL 8 30.771 10.372 3.542
74 HG12 VAL 8 HG12 VAL 8 31.326 8.948 4.421
75 HG13 VAL 8 HG13 VAL 8 30.492 10.243 5.278
76 HG21 VAL 8 HG21 VAL 8 28.088 10.835 4.198
77 HG22 VAL 8 HG22 VAL 8 27.275 9.546 3.311
78 HG23 VAL 8 HG23 VAL 8 28.622 10.412 2.570
79 H ILE 9 HN ILE 9 28.259 6.014 4.417
80 HA ILE 9 HA ILE 9 30.785 4.671 5.131
81 HB ILE 9 HB ILE 9 29.943 5.297 7.171
82 HG12 ILE 9 HG12 ILE 9 29.787 2.624 6.728
83 HG13 ILE 9 HG11 ILE 9 29.449 3.371 8.274
84 HG21 ILE 9 HG21 ILE 9 28.023 6.475 6.503
85 HG22 ILE 9 HG22 ILE 9 27.457 5.296 7.678
86 HG23 ILE 9 HG23 ILE 9 27.206 5.014 5.953
87 HD11 ILE 9 HD11 ILE 9 27.694 1.717 7.403
88 HD12 ILE 9 HD12 ILE 9 27.260 2.955 6.233
89 HD13 ILE 9 HD13 ILE 9 27.102 3.281 7.954
90 H ALA 10 HN ALA 10 27.391 4.147 4.245
91 HA ALA 10 HA ALA 10 27.674 1.324 3.887
92 HB1 ALA 10 HB1 ALA 10 25.493 2.447 4.277
93 HB2 ALA 10 HB2 ALA 10 25.486 1.443 2.829
94 HB3 ALA 10 HB3 ALA 10 25.620 3.196 2.685
95 H GLY 11 HN GLY 11 27.024 3.821 1.410
96 HA2 GLY 11 HA2 GLY 11 27.681 2.314 -0.819
97 HA3 GLY 11 HA1 GLY 11 27.861 4.066 -0.729
98 H LEU 12 HN LEU 12 29.654 3.372 1.715
99 HA LEU 12 HA LEU 12 32.111 3.109 0.132
100 HB2 LEU 12 HB2 LEU 12 31.712 5.100 1.693
101 HB3 LEU 12 HB1 LEU 12 31.933 3.958 3.019
102 HG LEU 12 HG LEU 12 34.095 3.305 1.581
103 HD11 LEU 12 HD11 LEU 12 35.007 5.064 0.330
104 HD12 LEU 12 HD12 LEU 12 33.987 6.274 1.107
105 HD13 LEU 12 HD13 LEU 12 33.296 5.168 -0.081
106 HD21 LEU 12 HD21 LEU 12 33.829 5.687 3.443
107 HD22 LEU 12 HD22 LEU 12 35.361 4.933 3.006
108 HD23 LEU 12 HD23 LEU 12 34.155 4.018 3.912
109 H VAL 13 HN VAL 13 30.196 1.589 2.613
110 HA VAL 13 HA VAL 13 32.277 -0.495 2.930
111 HB VAL 13 HB VAL 13 30.084 0.271 4.872
112 HG11 VAL 13 HG11 VAL 13 30.527 -2.066 5.098
113 HG12 VAL 13 HG12 VAL 13 31.458 -1.275 6.372
114 HG13 VAL 13 HG13 VAL 13 32.263 -1.826 4.902
115 HG21 VAL 13 HG21 VAL 13 32.240 1.766 4.477
116 HG22 VAL 13 HG22 VAL 13 33.030 0.494 5.410
117 HG23 VAL 13 HG23 VAL 13 31.697 1.406 6.116
118 H ALA 14 HN ALA 14 28.729 -0.072 3.081
119 HA ALA 14 HA ALA 14 27.904 -2.669 2.893
120 HB1 ALA 14 HB1 ALA 14 25.906 -1.861 1.738
121 HB2 ALA 14 HB2 ALA 14 26.732 -0.361 1.319
122 HB3 ALA 14 HB3 ALA 14 26.371 -0.727 3.006
123 H LEU 15 HN LEU 15 29.043 -0.616 0.227
124 HA LEU 15 HA LEU 15 28.606 -2.575 -1.797
125 HB2 LEU 15 HB2 LEU 15 28.856 -0.139 -2.264
126 HB3 LEU 15 HB1 LEU 15 30.552 -0.250 -1.797
127 HG LEU 15 HG LEU 15 30.920 -1.932 -3.590
128 HD11 LEU 15 HD11 LEU 15 27.967 -1.564 -3.881
129 HD12 LEU 15 HD12 LEU 15 28.942 -3.021 -4.075
130 HD13 LEU 15 HD13 LEU 15 28.910 -1.805 -5.353
131 HD21 LEU 15 HD21 LEU 15 29.618 0.635 -4.550
132 HD22 LEU 15 HD22 LEU 15 30.743 -0.359 -5.475
133 HD23 LEU 15 HD23 LEU 15 31.293 0.478 -4.024
134 H LEU 16 HN LEU 16 31.212 -1.828 0.408
135 HA LEU 16 HA LEU 16 33.001 -3.771 -0.842
136 HB2 LEU 16 HB2 LEU 16 33.502 -2.215 1.692
137 HB3 LEU 16 HB1 LEU 16 34.688 -2.933 0.600
138 HG LEU 16 HG LEU 16 32.857 -0.597 -0.009
139 HD11 LEU 16 HD11 LEU 16 34.834 0.727 -0.027
140 HD12 LEU 16 HD12 LEU 16 35.878 -0.694 -0.039
141 HD13 LEU 16 HD13 LEU 16 34.973 -0.275 1.417
142 HD21 LEU 16 HD21 LEU 16 33.015 -1.750 -2.055
143 HD22 LEU 16 HD22 LEU 16 34.663 -2.287 -1.731
144 HD23 LEU 16 HD23 LEU 16 34.351 -0.601 -2.144
145 H THR 17 HN THR 17 30.436 -3.909 1.181
146 HA THR 17 HA THR 17 31.522 -6.216 2.679
147 HB THR 17 HB THR 17 29.705 -3.999 3.500
148 HG1 THR 17 HG1 THR 17 32.070 -4.782 4.097
149 HG21 THR 17 HG21 THR 17 28.191 -5.777 3.903
150 HG22 THR 17 HG22 THR 17 29.016 -5.548 5.442
151 HG23 THR 17 HG23 THR 17 29.484 -6.876 4.384
152 H PHE 18 HN PHE 18 28.366 -4.887 1.668
153 HA PHE 18 HA PHE 18 26.864 -7.171 1.662
154 HB2 PHE 18 HB2 PHE 18 26.256 -4.725 0.985
155 HB3 PHE 18 HB1 PHE 18 26.636 -5.268 -0.652
156 HD1 PHE 18 HD2 PHE 18 24.424 -5.776 2.269
157 HD2 PHE 18 HD1 PHE 18 25.239 -6.872 -1.803
158 HE1 PHE 18 HE2 PHE 18 22.208 -6.876 2.120
159 HE2 PHE 18 HE1 PHE 18 23.024 -7.973 -1.952
160 HZ PHE 18 HZ PHE 18 21.505 -7.976 0.011
161 H LEU 19 HN LEU 19 29.100 -6.087 -0.866
162 HA LEU 19 HA LEU 19 28.502 -8.273 -2.636
163 HB2 LEU 19 HB2 LEU 19 30.610 -6.127 -2.558
164 HB3 LEU 19 HB1 LEU 19 30.707 -7.440 -3.727
165 HG LEU 19 HG LEU 19 29.523 -5.375 -4.576
166 HD11 LEU 19 HD11 LEU 19 28.344 -6.723 -5.954
167 HD12 LEU 19 HD12 LEU 19 27.314 -7.280 -4.636
168 HD13 LEU 19 HD13 LEU 19 28.861 -8.068 -4.938
169 HD21 LEU 19 HD21 LEU 19 27.404 -4.753 -3.693
170 HD22 LEU 19 HD22 LEU 19 28.440 -4.978 -2.284
171 HD23 LEU 19 HD23 LEU 19 27.284 -6.230 -2.738
172 H ALA 20 HN ALA 20 30.456 -7.898 0.140
173 HA ALA 20 HA ALA 20 32.244 -10.100 -0.585
174 HB1 ALA 20 HB1 ALA 20 33.655 -9.129 0.864
175 HB2 ALA 20 HB2 ALA 20 32.471 -9.256 2.164
176 HB3 ALA 20 HB3 ALA 20 32.467 -7.848 1.102
177 H PHE 21 HN PHE 21 29.834 -9.304 1.905
178 HA PHE 21 HA PHE 21 29.801 -11.972 2.980
179 HB2 PHE 21 HB2 PHE 21 28.091 -9.520 3.413
180 HB3 PHE 21 HB1 PHE 21 27.758 -11.060 4.206
181 HD1 PHE 21 HD2 PHE 21 30.642 -8.747 3.546
182 HD2 PHE 21 HD1 PHE 21 28.741 -11.454 6.289
183 HE1 PHE 21 HE2 PHE 21 32.374 -8.243 5.245
184 HE2 PHE 21 HE1 PHE 21 30.473 -10.947 7.988
185 HZ PHE 21 HZ PHE 21 32.289 -9.341 7.466
186 H GLY 22 HN GLY 22 27.684 -9.991 0.936
187 HA2 GLY 22 HA2 GLY 22 25.564 -11.765 0.598
188 HA3 GLY 22 HA1 GLY 22 26.080 -10.587 -0.607
189 H PHE 23 HN PHE 23 28.581 -11.456 -1.267
190 HA PHE 23 HA PHE 23 28.229 -13.314 -3.238
191 HB2 PHE 23 HB2 PHE 23 30.463 -12.084 -1.961
192 HB3 PHE 23 HB1 PHE 23 30.817 -13.799 -2.150
193 HD1 PHE 23 HD1 PHE 23 29.202 -11.023 -4.093
194 HD2 PHE 23 HD2 PHE 23 31.759 -14.476 -4.174
195 HE1 PHE 23 HE1 PHE 23 29.586 -10.682 -6.517
196 HE2 PHE 23 HE2 PHE 23 32.143 -14.132 -6.598
197 HZ PHE 23 HZ PHE 23 31.054 -12.240 -7.771
198 H TRP 24 HN TRP 24 29.932 -14.160 -0.230
199 HA TRP 24 HA TRP 24 29.752 -16.917 -0.489
200 HB2 TRP 24 HB2 TRP 24 31.213 -16.092 1.178
201 HB3 TRP 24 HB1 TRP 24 29.937 -15.143 1.941
202 HD1 TRP 24 HD1 TRP 24 30.649 -18.866 1.167
203 HE1 TRP 24 HE1 TRP 24 29.751 -20.281 3.128
204 HE3 TRP 24 HE3 TRP 24 28.632 -15.181 4.049
205 HZ2 TRP 24 HZ2 TRP 24 28.361 -19.893 5.593
206 HZ3 TRP 24 HZ3 TRP 24 27.524 -15.726 6.201
207 HH2 TRP 24 HH2 TRP 24 27.389 -18.077 6.976
208 H LEU 25 HN LEU 25 27.793 -15.011 1.788
209 HA LEU 25 HA LEU 25 25.951 -16.594 2.754
210 HB2 LEU 25 HB2 LEU 25 25.664 -13.911 1.525
211 HB3 LEU 25 HB1 LEU 25 24.170 -14.776 1.889
212 HG LEU 25 HG LEU 25 26.355 -14.644 3.936
213 HD11 LEU 25 HD11 LEU 25 24.240 -12.525 3.454
214 HD12 LEU 25 HD12 LEU 25 25.976 -12.315 3.223
215 HD13 LEU 25 HD13 LEU 25 25.328 -12.585 4.841
216 HD21 LEU 25 HD21 LEU 25 24.710 -15.334 5.388
217 HD22 LEU 25 HD22 LEU 25 24.006 -15.969 3.901
218 HD23 LEU 25 HD23 LEU 25 23.450 -14.427 4.551
219 H PHE 26 HN PHE 26 25.109 -15.205 -0.419
220 HA PHE 26 HA PHE 26 23.139 -17.162 -0.916
221 HB2 PHE 26 HB2 PHE 26 24.548 -15.582 -3.058
222 HB3 PHE 26 HB1 PHE 26 22.879 -16.155 -3.039
223 HD1 PHE 26 HD2 PHE 26 21.647 -15.401 -0.672
224 HD2 PHE 26 HD1 PHE 26 24.752 -13.279 -2.750
225 HE1 PHE 26 HE2 PHE 26 20.929 -13.294 0.409
226 HE2 PHE 26 HE1 PHE 26 24.031 -11.169 -1.666
227 HZ PHE 26 HZ PHE 26 22.121 -11.175 -0.087
228 H LYS 27 HN LYS 27 26.423 -16.782 -2.265
229 HA LYS 27 HA LYS 27 26.312 -19.145 -3.821
230 HB2 LYS 27 HB2 LYS 27 28.710 -17.647 -2.742
231 HB3 LYS 27 HB1 LYS 27 28.763 -18.887 -3.995
232 HG2 LYS 27 HG2 LYS 27 27.365 -17.551 -5.461
233 HG3 LYS 27 HG1 LYS 27 27.115 -16.350 -4.194
234 HD2 LYS 27 HD2 LYS 27 29.199 -15.437 -4.454
235 HD3 LYS 27 HD1 LYS 27 29.934 -16.979 -4.896
236 HE2 LYS 27 HE2 LYS 27 29.628 -15.136 -6.739
237 HE3 LYS 27 HE1 LYS 27 29.254 -16.815 -7.129
238 HZ1 LYS 27 HZ1 LYS 27 27.563 -14.844 -7.569
239 HZ2 LYS 27 HZ2 LYS 27 27.108 -15.216 -5.977
240 HZ3 LYS 27 HZ3 LYS 27 27.045 -16.410 -7.183
241 H TYR 28 HN TYR 28 25.623 -19.406 -0.872
242 HA TYR 28 HA TYR 28 27.085 -21.891 -0.469
243 HB2 TYR 28 HB2 TYR 28 28.503 -21.012 1.033
244 HB3 TYR 28 HB1 TYR 28 27.630 -19.486 1.076
245 HD1 TYR 28 HD2 TYR 28 27.206 -23.042 2.183
246 HD2 TYR 28 HD1 TYR 28 26.564 -18.885 3.056
247 HE1 TYR 28 HE2 TYR 28 26.250 -23.654 4.390
248 HE2 TYR 28 HE1 TYR 28 25.605 -19.497 5.262
249 HH TYR 28 HH TYR 28 24.898 -21.178 6.555
250 H LEU 29 HN LEU 29 24.690 -19.619 0.899
251 HA LEU 29 HA LEU 29 23.217 -21.841 2.083
252 HB2 LEU 29 HB2 LEU 29 23.432 -19.047 2.584
253 HB3 LEU 29 HB1 LEU 29 21.747 -19.396 2.199
254 HG LEU 29 HG LEU 29 23.405 -20.923 4.226
255 HD11 LEU 29 HD11 LEU 29 23.032 -19.042 5.461
256 HD12 LEU 29 HD12 LEU 29 21.406 -19.704 5.624
257 HD13 LEU 29 HD13 LEU 29 21.741 -18.481 4.399
258 HD21 LEU 29 HD21 LEU 29 21.733 -22.433 4.144
259 HD22 LEU 29 HD22 LEU 29 20.943 -21.497 2.876
260 HD23 LEU 29 HD23 LEU 29 20.579 -21.169 4.569
261 H GLN 30 HN GLN 30 22.909 -19.567 -0.590
262 HA GLN 30 HA GLN 30 20.277 -20.587 -1.318
263 HB2 GLN 30 HB2 GLN 30 20.533 -18.258 -1.667
264 HB3 GLN 30 HB1 GLN 30 22.092 -18.468 -2.452
265 HG2 GLN 30 HG2 GLN 30 21.146 -19.315 -4.419
266 HG3 GLN 30 HG1 GLN 30 19.608 -19.679 -3.629
267 HE21 GLN 30 HE21 GLN 30 20.827 -16.647 -2.609
268 HE22 GLN 30 HE22 GLN 30 19.895 -15.668 -3.636
269 H LYS 31 HN LYS 31 23.401 -21.617 -1.720
270 HA LYS 31 HA LYS 31 22.787 -22.946 -4.295
271 HB2 LYS 31 HB2 LYS 31 25.263 -21.727 -3.205
272 HB3 LYS 31 HB1 LYS 31 25.456 -23.238 -4.096
273 HG2 LYS 31 HG2 LYS 31 25.608 -21.214 -5.561
274 HG3 LYS 31 HG1 LYS 31 24.304 -22.307 -6.024
275 HD2 LYS 31 HD2 LYS 31 22.653 -20.857 -5.335
276 HD3 LYS 31 HD1 LYS 31 23.652 -20.160 -4.060
277 HE2 LYS 31 HE2 LYS 31 24.985 -18.958 -5.745
278 HE3 LYS 31 HE1 LYS 31 24.011 -19.669 -7.031
279 HZ1 LYS 31 HZ1 LYS 31 22.852 -18.050 -4.838
280 HZ2 LYS 31 HZ2 LYS 31 22.103 -18.532 -6.284
281 HZ3 LYS 31 HZ3 LYS 31 23.348 -17.378 -6.314
282 H LYS 32 HN LYS 32 22.399 -23.624 -1.264
283 HA LYS 32 HA LYS 32 23.892 -26.147 -1.162
284 HB2 LYS 32 HB2 LYS 32 23.060 -26.306 1.143
285 HB3 LYS 32 HB1 LYS 32 23.843 -24.749 0.868
286 HG2 LYS 32 HG2 LYS 32 21.944 -23.832 1.691
287 HG3 LYS 32 HG1 LYS 32 21.222 -24.248 0.135
288 HD2 LYS 32 HD2 LYS 32 20.582 -26.472 1.067
289 HD3 LYS 32 HD1 LYS 32 21.217 -25.967 2.634
290 HE2 LYS 32 HE2 LYS 32 19.482 -23.906 1.689
291 HE3 LYS 32 HE1 LYS 32 18.635 -25.444 1.523
292 HZ1 LYS 32 HZ1 LYS 32 18.597 -25.768 3.738
293 HZ2 LYS 32 HZ2 LYS 32 18.728 -24.075 3.789
294 HZ3 LYS 32 HZ3 LYS 32 20.108 -25.043 3.997
Start of MODEL 20
1 H1 LYS 1 HT1 LYS 1 22.584 14.979 -5.197
2 H2 LYS 1 HT2 LYS 1 20.996 15.319 -4.696
3 H3 LYS 1 HT3 LYS 1 21.563 13.717 -4.707
4 HA LYS 1 HA LYS 1 22.884 15.773 -3.058
5 HB2 LYS 1 HB2 LYS 1 20.492 15.812 -2.469
6 HB3 LYS 1 HB1 LYS 1 20.504 14.058 -2.286
7 HG2 LYS 1 HG2 LYS 1 21.790 14.133 -0.343
8 HG3 LYS 1 HG1 LYS 1 22.475 15.710 -0.739
9 HD2 LYS 1 HD2 LYS 1 20.472 16.848 -0.156
10 HD3 LYS 1 HD1 LYS 1 19.534 15.354 -0.150
11 HE2 LYS 1 HE2 LYS 1 20.149 16.240 2.149
12 HE3 LYS 1 HE1 LYS 1 20.629 14.572 1.838
13 HZ1 LYS 1 HZ1 LYS 1 22.327 16.996 1.800
14 HZ2 LYS 1 HZ2 LYS 1 22.828 15.526 1.110
15 HZ3 LYS 1 HZ3 LYS 1 22.492 15.617 2.774
16 H LYS 2 HN LYS 2 24.141 14.767 -1.394
17 HA LYS 2 HA LYS 2 25.233 12.212 -2.213
18 HB2 LYS 2 HB2 LYS 2 26.190 14.487 -0.831
19 HB3 LYS 2 HB1 LYS 2 26.264 13.154 0.314
20 HG2 LYS 2 HG2 LYS 2 27.374 13.002 -2.506
21 HG3 LYS 2 HG1 LYS 2 28.339 13.425 -1.096
22 HD2 LYS 2 HD2 LYS 2 26.703 10.930 -0.936
23 HD3 LYS 2 HD1 LYS 2 28.151 10.899 -1.940
24 HE2 LYS 2 HE2 LYS 2 28.076 11.796 0.955
25 HE3 LYS 2 HE1 LYS 2 28.611 10.208 0.408
26 HZ1 LYS 2 HZ1 LYS 2 30.200 11.505 -1.077
27 HZ2 LYS 2 HZ2 LYS 2 30.556 11.445 0.583
28 HZ3 LYS 2 HZ3 LYS 2 29.856 12.840 -0.089
29 H HIS 3 HN HIS 3 22.468 12.378 -1.140
30 HA HIS 3 HA HIS 3 21.088 11.321 0.367
31 HB2 HIS 3 HB2 HIS 3 22.174 9.455 -0.969
32 HB3 HIS 3 HB1 HIS 3 23.263 9.229 0.400
33 HD2 HIS 3 HD2 HIS 3 21.997 6.744 1.050
34 HE1 HIS 3 HE1 HIS 3 18.327 8.473 2.215
35 HE2 HIS 3 HE2 HIS 3 19.693 6.332 2.212
36 H THR 4 HN THR 4 21.270 9.873 2.542
37 HA THR 4 HA THR 4 22.071 11.644 4.565
38 HB THR 4 HB THR 4 20.376 9.976 4.994
39 HG1 THR 4 HG1 THR 4 22.496 10.380 6.508
40 HG21 THR 4 HG21 THR 4 20.631 7.959 4.027
41 HG22 THR 4 HG22 THR 4 21.780 7.573 5.305
42 HG23 THR 4 HG23 THR 4 22.354 8.235 3.775
43 H ILE 5 HN ILE 5 23.257 8.772 5.652
44 HA ILE 5 HA ILE 5 26.047 9.659 5.272
45 HB ILE 5 HB ILE 5 26.398 8.084 7.289
46 HG12 ILE 5 HG12 ILE 5 23.615 8.692 8.087
47 HG13 ILE 5 HG11 ILE 5 23.772 7.459 6.835
48 HG21 ILE 5 HG21 ILE 5 25.403 9.947 8.822
49 HG22 ILE 5 HG22 ILE 5 25.008 10.754 7.306
50 HG23 ILE 5 HG23 ILE 5 26.687 10.379 7.694
51 HD11 ILE 5 HD11 ILE 5 25.103 6.071 8.201
52 HD12 ILE 5 HD12 ILE 5 23.857 6.671 9.293
53 HD13 ILE 5 HD13 ILE 5 25.470 7.380 9.323
54 H TRP 6 HN TRP 6 23.784 7.145 4.641
55 HA TRP 6 HA TRP 6 25.243 4.850 4.436
56 HB2 TRP 6 HB2 TRP 6 22.865 5.906 3.208
57 HB3 TRP 6 HB1 TRP 6 23.793 4.995 2.017
58 HD1 TRP 6 HD1 TRP 6 22.625 2.727 1.939
59 HE1 TRP 6 HE1 TRP 6 22.022 0.916 3.665
60 HE3 TRP 6 HE3 TRP 6 23.820 5.193 6.239
61 HZ2 TRP 6 HZ2 TRP 6 22.045 0.562 6.498
62 HZ3 TRP 6 HZ3 TRP 6 23.521 4.096 8.442
63 HH2 TRP 6 HH2 TRP 6 22.636 1.784 8.579
64 H GLU 7 HN GLU 7 24.935 7.189 1.748
65 HA GLU 7 HA GLU 7 26.841 6.030 0.078
66 HB2 GLU 7 HB2 GLU 7 25.749 8.796 0.390
67 HB3 GLU 7 HB1 GLU 7 27.092 8.514 -0.717
68 HG2 GLU 7 HG2 GLU 7 24.611 6.800 -0.787
69 HG3 GLU 7 HG1 GLU 7 24.702 8.319 -1.676
70 H VAL 8 HN VAL 8 27.351 7.410 3.099
71 HA VAL 8 HA VAL 8 30.128 8.166 2.477
72 HB VAL 8 HB VAL 8 28.758 8.580 5.128
73 HG11 VAL 8 HG11 VAL 8 30.870 10.268 3.801
74 HG12 VAL 8 HG12 VAL 8 31.307 8.809 4.690
75 HG13 VAL 8 HG13 VAL 8 30.482 10.131 5.516
76 HG21 VAL 8 HG21 VAL 8 28.155 10.834 4.332
77 HG22 VAL 8 HG22 VAL 8 27.365 9.606 3.344
78 HG23 VAL 8 HG23 VAL 8 28.791 10.447 2.735
79 H ILE 9 HN ILE 9 28.189 6.002 4.490
80 HA ILE 9 HA ILE 9 30.658 4.594 5.277
81 HB ILE 9 HB ILE 9 29.748 5.219 7.290
82 HG12 ILE 9 HG12 ILE 9 29.559 2.552 6.808
83 HG13 ILE 9 HG11 ILE 9 29.178 3.291 8.350
84 HG21 ILE 9 HG21 ILE 9 27.244 5.261 7.695
85 HG22 ILE 9 HG22 ILE 9 27.055 4.994 5.959
86 HG23 ILE 9 HG23 ILE 9 27.876 6.438 6.551
87 HD11 ILE 9 HD11 ILE 9 27.060 2.936 6.224
88 HD12 ILE 9 HD12 ILE 9 26.842 3.249 7.940
89 HD13 ILE 9 HD13 ILE 9 27.427 1.678 7.397
90 H ALA 10 HN ALA 10 27.290 4.149 4.257
91 HA ALA 10 HA ALA 10 27.526 1.327 3.867
92 HB1 ALA 10 HB1 ALA 10 25.569 3.238 2.572
93 HB2 ALA 10 HB2 ALA 10 25.358 2.534 4.177
94 HB3 ALA 10 HB3 ALA 10 25.383 1.494 2.754
95 H GLY 11 HN GLY 11 27.022 3.867 1.398
96 HA2 GLY 11 HA2 GLY 11 27.744 2.380 -0.822
97 HA3 GLY 11 HA1 GLY 11 27.957 4.127 -0.698
98 H LEU 12 HN LEU 12 29.633 3.353 1.805
99 HA LEU 12 HA LEU 12 32.143 3.063 0.316
100 HB2 LEU 12 HB2 LEU 12 31.732 5.040 1.888
101 HB3 LEU 12 HB1 LEU 12 31.865 3.876 3.208
102 HG LEU 12 HG LEU 12 34.071 3.189 1.849
103 HD11 LEU 12 HD11 LEU 12 33.638 4.887 0.082
104 HD12 LEU 12 HD12 LEU 12 35.159 5.180 0.925
105 HD13 LEU 12 HD13 LEU 12 33.740 6.155 1.303
106 HD21 LEU 12 HD21 LEU 12 34.050 3.851 4.194
107 HD22 LEU 12 HD22 LEU 12 33.780 5.537 3.751
108 HD23 LEU 12 HD23 LEU 12 35.314 4.758 3.363
109 H VAL 13 HN VAL 13 30.105 1.552 2.703
110 HA VAL 13 HA VAL 13 32.132 -0.575 3.082
111 HB VAL 13 HB VAL 13 29.845 0.207 4.906
112 HG11 VAL 13 HG11 VAL 13 30.195 -2.151 5.100
113 HG12 VAL 13 HG12 VAL 13 31.064 -1.419 6.449
114 HG13 VAL 13 HG13 VAL 13 31.947 -1.966 5.026
115 HG21 VAL 13 HG21 VAL 13 32.765 0.315 5.604
116 HG22 VAL 13 HG22 VAL 13 31.427 1.248 6.272
117 HG23 VAL 13 HG23 VAL 13 32.060 1.636 4.673
118 H ALA 14 HN ALA 14 28.590 -0.098 3.010
119 HA ALA 14 HA ALA 14 27.730 -2.673 2.726
120 HB1 ALA 14 HB1 ALA 14 26.739 -0.277 1.161
121 HB2 ALA 14 HB2 ALA 14 26.197 -0.759 2.768
122 HB3 ALA 14 HB3 ALA 14 25.858 -1.789 1.378
123 H LEU 15 HN LEU 15 28.895 -0.572 0.092
124 HA LEU 15 HA LEU 15 28.647 -2.519 -1.944
125 HB2 LEU 15 HB2 LEU 15 28.923 -0.085 -2.380
126 HB3 LEU 15 HB1 LEU 15 30.581 -0.187 -1.789
127 HG LEU 15 HG LEU 15 31.102 -1.838 -3.568
128 HD11 LEU 15 HD11 LEU 15 29.219 -1.746 -5.463
129 HD12 LEU 15 HD12 LEU 15 28.169 -1.519 -4.063
130 HD13 LEU 15 HD13 LEU 15 29.177 -2.961 -4.186
131 HD21 LEU 15 HD21 LEU 15 30.560 0.940 -3.870
132 HD22 LEU 15 HD22 LEU 15 30.035 0.141 -5.351
133 HD23 LEU 15 HD23 LEU 15 31.696 -0.046 -4.791
134 H LEU 16 HN LEU 16 31.091 -1.835 0.449
135 HA LEU 16 HA LEU 16 32.938 -3.784 -0.726
136 HB2 LEU 16 HB2 LEU 16 33.363 -2.189 1.798
137 HB3 LEU 16 HB1 LEU 16 34.579 -2.928 0.751
138 HG LEU 16 HG LEU 16 32.782 -0.585 0.068
139 HD11 LEU 16 HD11 LEU 16 34.741 0.730 0.118
140 HD12 LEU 16 HD12 LEU 16 35.797 -0.681 0.034
141 HD13 LEU 16 HD13 LEU 16 34.919 -0.325 1.521
142 HD21 LEU 16 HD21 LEU 16 34.607 -2.308 -1.604
143 HD22 LEU 16 HD22 LEU 16 34.292 -0.630 -2.046
144 HD23 LEU 16 HD23 LEU 16 32.961 -1.783 -1.956
145 H THR 17 HN THR 17 30.269 -4.017 1.053
146 HA THR 17 HA THR 17 31.316 -6.263 2.661
147 HB THR 17 HB THR 17 29.440 -4.067 3.426
148 HG1 THR 17 HG1 THR 17 31.260 -5.551 4.983
149 HG21 THR 17 HG21 THR 17 28.804 -5.634 5.384
150 HG22 THR 17 HG22 THR 17 29.310 -6.943 4.317
151 HG23 THR 17 HG23 THR 17 27.985 -5.880 3.842
152 H PHE 18 HN PHE 18 28.227 -4.913 1.489
153 HA PHE 18 HA PHE 18 26.617 -7.087 1.483
154 HB2 PHE 18 HB2 PHE 18 26.283 -4.677 0.474
155 HB3 PHE 18 HB1 PHE 18 26.703 -5.476 -1.041
156 HD1 PHE 18 HD1 PHE 18 24.466 -5.835 1.941
157 HD2 PHE 18 HD2 PHE 18 25.061 -6.657 -2.233
158 HE1 PHE 18 HE1 PHE 18 22.169 -6.760 1.796
159 HE2 PHE 18 HE2 PHE 18 22.763 -7.582 -2.378
160 HZ PHE 18 HZ PHE 18 21.318 -7.634 -0.364
161 H LEU 19 HN LEU 19 28.936 -6.314 -1.120
162 HA LEU 19 HA LEU 19 28.448 -8.734 -2.565
163 HB2 LEU 19 HB2 LEU 19 30.550 -6.586 -2.675
164 HB3 LEU 19 HB1 LEU 19 30.731 -8.056 -3.629
165 HG LEU 19 HG LEU 19 29.595 -6.154 -4.848
166 HD11 LEU 19 HD11 LEU 19 28.539 -7.715 -6.089
167 HD12 LEU 19 HD12 LEU 19 27.404 -8.072 -4.789
168 HD13 LEU 19 HD13 LEU 19 28.965 -8.886 -4.842
169 HD21 LEU 19 HD21 LEU 19 27.401 -5.464 -4.213
170 HD22 LEU 19 HD22 LEU 19 28.358 -5.427 -2.731
171 HD23 LEU 19 HD23 LEU 19 27.255 -6.768 -3.036
172 H ALA 20 HN ALA 20 31.130 -7.659 -0.470
173 HA ALA 20 HA ALA 20 32.767 -9.853 -0.568
174 HB1 ALA 20 HB1 ALA 20 32.460 -7.628 1.135
175 HB2 ALA 20 HB2 ALA 20 33.824 -8.744 1.066
176 HB3 ALA 20 HB3 ALA 20 32.494 -9.045 2.185
177 H PHE 21 HN PHE 21 30.052 -9.429 1.719
178 HA PHE 21 HA PHE 21 30.221 -12.186 2.572
179 HB2 PHE 21 HB2 PHE 21 28.291 -9.947 3.200
180 HB3 PHE 21 HB1 PHE 21 28.148 -11.569 3.878
181 HD1 PHE 21 HD2 PHE 21 30.570 -8.742 3.493
182 HD2 PHE 21 HD1 PHE 21 29.370 -12.166 5.793
183 HE1 PHE 21 HE2 PHE 21 32.258 -8.175 5.218
184 HE2 PHE 21 HE1 PHE 21 31.058 -11.598 7.518
185 HZ PHE 21 HZ PHE 21 32.502 -9.603 7.229
186 H GLY 22 HN GLY 22 28.168 -10.237 0.467
187 HA2 GLY 22 HA2 GLY 22 26.061 -12.019 0.051
188 HA3 GLY 22 HA1 GLY 22 26.624 -10.841 -1.131
189 H PHE 23 HN PHE 23 29.160 -11.746 -1.680
190 HA PHE 23 HA PHE 23 28.748 -13.687 -3.622
191 HB2 PHE 23 HB2 PHE 23 31.031 -12.320 -2.462
192 HB3 PHE 23 HB1 PHE 23 31.421 -13.990 -2.871
193 HD1 PHE 23 HD2 PHE 23 30.320 -14.784 -5.207
194 HD2 PHE 23 HD1 PHE 23 31.312 -10.738 -4.158
195 HE1 PHE 23 HE2 PHE 23 30.419 -14.183 -7.612
196 HE2 PHE 23 HE1 PHE 23 31.411 -10.138 -6.560
197 HZ PHE 23 HZ PHE 23 30.964 -11.861 -8.288
198 H TRP 24 HN TRP 24 28.943 -14.035 -0.253
199 HA TRP 24 HA TRP 24 29.500 -16.919 -0.468
200 HB2 TRP 24 HB2 TRP 24 31.007 -15.882 1.073
201 HB3 TRP 24 HB1 TRP 24 29.691 -15.010 1.862
202 HD1 TRP 24 HD1 TRP 24 30.380 -18.720 1.014
203 HE1 TRP 24 HE1 TRP 24 29.744 -20.145 3.072
204 HE3 TRP 24 HE3 TRP 24 28.819 -15.043 4.171
205 HZ2 TRP 24 HZ2 TRP 24 28.710 -19.766 5.707
206 HZ3 TRP 24 HZ3 TRP 24 28.011 -15.593 6.453
207 HH2 TRP 24 HH2 TRP 24 27.955 -17.949 7.222
208 H LEU 25 HN LEU 25 27.706 -14.976 1.883
209 HA LEU 25 HA LEU 25 25.876 -16.497 2.929
210 HB2 LEU 25 HB2 LEU 25 25.614 -13.789 1.770
211 HB3 LEU 25 HB1 LEU 25 24.105 -14.608 2.174
212 HG LEU 25 HG LEU 25 26.394 -14.569 4.131
213 HD11 LEU 25 HD11 LEU 25 25.932 -12.218 3.476
214 HD12 LEU 25 HD12 LEU 25 25.440 -12.542 5.139
215 HD13 LEU 25 HD13 LEU 25 24.228 -12.460 3.858
216 HD21 LEU 25 HD21 LEU 25 24.850 -15.386 5.603
217 HD22 LEU 25 HD22 LEU 25 23.985 -15.860 4.140
218 HD23 LEU 25 HD23 LEU 25 23.561 -14.362 4.968
219 H PHE 26 HN PHE 26 25.235 -15.253 -0.364
220 HA PHE 26 HA PHE 26 23.037 -17.068 -0.734
221 HB2 PHE 26 HB2 PHE 26 24.479 -15.642 -2.956
222 HB3 PHE 26 HB1 PHE 26 22.769 -16.060 -2.841
223 HD1 PHE 26 HD2 PHE 26 21.759 -15.138 -0.414
224 HD2 PHE 26 HD1 PHE 26 24.869 -13.349 -2.775
225 HE1 PHE 26 HE2 PHE 26 21.277 -12.940 0.619
226 HE2 PHE 26 HE1 PHE 26 24.387 -11.149 -1.740
227 HZ PHE 26 HZ PHE 26 22.596 -10.946 -0.040
228 H LYS 27 HN LYS 27 26.108 -16.759 -2.524
229 HA LYS 27 HA LYS 27 26.001 -19.112 -3.942
230 HB2 LYS 27 HB2 LYS 27 28.577 -18.108 -2.737
231 HB3 LYS 27 HB1 LYS 27 28.337 -18.915 -4.283
232 HG2 LYS 27 HG2 LYS 27 27.424 -16.121 -3.535
233 HG3 LYS 27 HG1 LYS 27 28.661 -16.554 -4.713
234 HD2 LYS 27 HD2 LYS 27 26.823 -17.856 -5.937
235 HD3 LYS 27 HD1 LYS 27 25.680 -17.008 -4.893
236 HE2 LYS 27 HE2 LYS 27 27.734 -15.618 -6.638
237 HE3 LYS 27 HE1 LYS 27 26.049 -15.862 -7.094
238 HZ1 LYS 27 HZ1 LYS 27 25.677 -13.950 -6.048
239 HZ2 LYS 27 HZ2 LYS 27 27.191 -13.962 -5.276
240 HZ3 LYS 27 HZ3 LYS 27 25.884 -14.810 -4.600
241 H TYR 28 HN TYR 28 26.061 -18.882 -0.584
242 HA TYR 28 HA TYR 28 27.082 -21.655 -0.334
243 HB2 TYR 28 HB2 TYR 28 28.522 -20.750 1.142
244 HB3 TYR 28 HB1 TYR 28 27.613 -19.244 1.243
245 HD1 TYR 28 HD2 TYR 28 27.500 -22.820 2.320
246 HD2 TYR 28 HD1 TYR 28 26.295 -18.781 3.129
247 HE1 TYR 28 HE2 TYR 28 26.556 -23.538 4.499
248 HE2 TYR 28 HE1 TYR 28 25.353 -19.493 5.307
249 HH TYR 28 HH TYR 28 25.349 -22.922 6.271
250 H LEU 29 HN LEU 29 24.785 -19.311 1.048
251 HA LEU 29 HA LEU 29 23.261 -21.460 2.276
252 HB2 LEU 29 HB2 LEU 29 23.711 -19.067 3.225
253 HB3 LEU 29 HB1 LEU 29 22.370 -18.596 2.183
254 HG LEU 29 HG LEU 29 21.332 -20.819 3.366
255 HD11 LEU 29 HD11 LEU 29 21.874 -20.740 5.748
256 HD12 LEU 29 HD12 LEU 29 23.014 -19.425 5.466
257 HD13 LEU 29 HD13 LEU 29 23.343 -21.031 4.817
258 HD21 LEU 29 HD21 LEU 29 20.237 -18.630 3.163
259 HD22 LEU 29 HD22 LEU 29 21.287 -17.975 4.421
260 HD23 LEU 29 HD23 LEU 29 20.106 -19.223 4.820
261 H GLN 30 HN GLN 30 23.000 -19.258 -0.454
262 HA GLN 30 HA GLN 30 20.278 -20.096 -1.054
263 HB2 GLN 30 HB2 GLN 30 20.896 -17.780 -1.467
264 HB3 GLN 30 HB1 GLN 30 22.201 -18.294 -2.532
265 HG2 GLN 30 HG2 GLN 30 20.795 -18.833 -4.248
266 HG3 GLN 30 HG1 GLN 30 19.495 -19.332 -3.166
267 HE21 GLN 30 HE21 GLN 30 20.972 -16.219 -2.546
268 HE22 GLN 30 HE22 GLN 30 19.695 -15.279 -3.148
269 H LYS 31 HN LYS 31 23.375 -21.281 -1.629
270 HA LYS 31 HA LYS 31 22.490 -22.723 -4.058
271 HB2 LYS 31 HB2 LYS 31 25.111 -21.608 -3.199
272 HB3 LYS 31 HB1 LYS 31 25.131 -23.122 -4.103
273 HG2 LYS 31 HG2 LYS 31 25.265 -21.129 -5.591
274 HG3 LYS 31 HG1 LYS 31 23.830 -22.105 -5.904
275 HD2 LYS 31 HD2 LYS 31 22.392 -20.552 -4.937
276 HD3 LYS 31 HD1 LYS 31 23.659 -19.854 -3.927
277 HE2 LYS 31 HE2 LYS 31 24.714 -18.876 -5.935
278 HE3 LYS 31 HE1 LYS 31 23.440 -19.564 -6.939
279 HZ1 LYS 31 HZ1 LYS 31 21.818 -18.245 -5.820
280 HZ2 LYS 31 HZ2 LYS 31 23.071 -17.214 -6.321
281 HZ3 LYS 31 HZ3 LYS 31 22.955 -17.687 -4.694
282 H LYS 32 HN LYS 32 22.201 -23.294 -1.036
283 HA LYS 32 HA LYS 32 23.653 -25.841 -0.879
284 HB2 LYS 32 HB2 LYS 32 22.902 -25.890 1.459
285 HB3 LYS 32 HB1 LYS 32 23.717 -24.370 1.094
286 HG2 LYS 32 HG2 LYS 32 21.878 -23.368 1.952
287 HG3 LYS 32 HG1 LYS 32 21.086 -23.820 0.441
288 HD2 LYS 32 HD2 LYS 32 20.421 -25.989 1.480
289 HD3 LYS 32 HD1 LYS 32 21.124 -25.443 3.002
290 HE2 LYS 32 HE2 LYS 32 19.420 -23.365 2.056
291 HE3 LYS 32 HE1 LYS 32 18.521 -24.878 1.948
292 HZ1 LYS 32 HZ1 LYS 32 18.671 -25.238 4.188
293 HZ2 LYS 32 HZ2 LYS 32 18.578 -23.542 4.160
294 HZ3 LYS 32 HZ3 LYS 32 20.080 -24.311 4.370
Start of MODEL 21
1 H1 LYS 1 HT1 LYS 1 20.108 15.572 -4.536
2 H2 LYS 1 HT2 LYS 1 20.096 16.978 -3.582
3 H3 LYS 1 HT3 LYS 1 20.169 15.449 -2.846
4 HA LYS 1 HA LYS 1 22.269 16.752 -4.485
5 HB2 LYS 1 HB2 LYS 1 21.720 16.444 -1.618
6 HB3 LYS 1 HB1 LYS 1 23.338 15.912 -2.079
7 HG2 LYS 1 HG2 LYS 1 23.801 18.050 -3.132
8 HG3 LYS 1 HG1 LYS 1 22.142 18.585 -2.862
9 HD2 LYS 1 HD2 LYS 1 22.444 18.751 -0.529
10 HD3 LYS 1 HD1 LYS 1 23.888 17.738 -0.556
11 HE2 LYS 1 HE2 LYS 1 23.731 20.450 -1.896
12 HE3 LYS 1 HE1 LYS 1 24.349 20.208 -0.262
13 HZ1 LYS 1 HZ1 LYS 1 25.408 18.929 -2.725
14 HZ2 LYS 1 HZ2 LYS 1 25.997 18.681 -1.150
15 HZ3 LYS 1 HZ3 LYS 1 26.136 20.207 -1.882
16 H LYS 2 HN LYS 2 22.211 14.079 -2.150
17 HA LYS 2 HA LYS 2 22.938 12.182 -4.269
18 HB2 LYS 2 HB2 LYS 2 25.102 12.887 -3.552
19 HB3 LYS 2 HB1 LYS 2 24.632 12.825 -1.853
20 HG2 LYS 2 HG2 LYS 2 24.564 10.460 -1.836
21 HG3 LYS 2 HG1 LYS 2 24.530 10.363 -3.598
22 HD2 LYS 2 HD2 LYS 2 26.763 9.779 -2.783
23 HD3 LYS 2 HD1 LYS 2 26.832 11.304 -3.666
24 HE2 LYS 2 HE2 LYS 2 26.974 12.580 -1.669
25 HE3 LYS 2 HE1 LYS 2 26.464 11.219 -0.669
26 HZ1 LYS 2 HZ1 LYS 2 28.893 11.698 -0.624
27 HZ2 LYS 2 HZ2 LYS 2 28.969 11.236 -2.256
28 HZ3 LYS 2 HZ3 LYS 2 28.502 10.111 -1.072
29 H HIS 3 HN HIS 3 23.142 12.044 -0.723
30 HA HIS 3 HA HIS 3 20.693 10.650 -0.350
31 HB2 HIS 3 HB2 HIS 3 22.138 8.935 -1.581
32 HB3 HIS 3 HB1 HIS 3 23.128 8.884 -0.124
33 HD2 HIS 3 HD2 HIS 3 22.167 6.251 0.503
34 HE1 HIS 3 HE1 HIS 3 18.202 7.470 1.290
35 HE2 HIS 3 HE2 HIS 3 19.848 5.545 1.474
36 H THR 4 HN THR 4 21.093 9.223 1.878
37 HA THR 4 HA THR 4 21.578 11.203 3.859
38 HB THR 4 HB THR 4 20.009 9.493 4.390
39 HG1 THR 4 HG1 THR 4 20.953 8.622 6.268
40 HG21 THR 4 HG21 THR 4 20.270 7.505 3.364
41 HG22 THR 4 HG22 THR 4 21.443 7.106 4.618
42 HG23 THR 4 HG23 THR 4 21.986 7.801 3.091
43 H ILE 5 HN ILE 5 22.971 8.309 4.874
44 HA ILE 5 HA ILE 5 25.699 9.415 4.570
45 HB ILE 5 HB ILE 5 26.122 8.067 6.727
46 HG12 ILE 5 HG12 ILE 5 23.330 8.560 7.515
47 HG13 ILE 5 HG11 ILE 5 23.512 7.276 6.319
48 HG21 ILE 5 HG21 ILE 5 26.283 10.354 7.038
49 HG22 ILE 5 HG22 ILE 5 24.871 10.014 8.039
50 HG23 ILE 5 HG23 ILE 5 24.662 10.658 6.411
51 HD11 ILE 5 HD11 ILE 5 24.988 6.041 7.713
52 HD12 ILE 5 HD12 ILE 5 23.679 6.566 8.773
53 HD13 ILE 5 HD13 ILE 5 25.229 7.410 8.798
54 H TRP 6 HN TRP 6 23.586 6.690 4.262
55 HA TRP 6 HA TRP 6 25.193 4.492 4.233
56 HB2 TRP 6 HB2 TRP 6 22.738 5.275 2.930
57 HB3 TRP 6 HB1 TRP 6 23.712 4.279 1.848
58 HD1 TRP 6 HD1 TRP 6 22.648 1.963 2.056
59 HE1 TRP 6 HE1 TRP 6 22.160 0.342 3.995
60 HE3 TRP 6 HE3 TRP 6 23.769 4.976 6.014
61 HZ2 TRP 6 HZ2 TRP 6 22.235 0.329 6.849
62 HZ3 TRP 6 HZ3 TRP 6 23.553 4.136 8.336
63 HH2 TRP 6 HH2 TRP 6 22.787 1.816 8.759
64 H GLU 7 HN GLU 7 24.617 6.402 1.269
65 HA GLU 7 HA GLU 7 26.576 5.279 -0.312
66 HB2 GLU 7 HB2 GLU 7 25.276 7.956 -0.207
67 HB3 GLU 7 HB1 GLU 7 26.670 7.747 -1.268
68 HG2 GLU 7 HG2 GLU 7 24.305 5.860 -1.277
69 HG3 GLU 7 HG1 GLU 7 24.400 7.272 -2.328
70 H VAL 8 HN VAL 8 27.041 7.107 2.521
71 HA VAL 8 HA VAL 8 29.765 7.883 1.752
72 HB VAL 8 HB VAL 8 28.463 8.516 4.391
73 HG11 VAL 8 HG11 VAL 8 30.966 8.862 3.825
74 HG12 VAL 8 HG12 VAL 8 30.081 10.231 4.500
75 HG13 VAL 8 HG13 VAL 8 30.402 10.156 2.767
76 HG21 VAL 8 HG21 VAL 8 26.921 9.235 2.589
77 HG22 VAL 8 HG22 VAL 8 28.253 10.070 1.790
78 HG23 VAL 8 HG23 VAL 8 27.682 10.624 3.362
79 H ILE 9 HN ILE 9 28.018 5.863 4.075
80 HA ILE 9 HA ILE 9 30.592 4.692 4.913
81 HB ILE 9 HB ILE 9 29.703 5.501 6.875
82 HG12 ILE 9 HG12 ILE 9 29.706 2.790 6.707
83 HG13 ILE 9 HG11 ILE 9 29.328 3.673 8.171
84 HG21 ILE 9 HG21 ILE 9 27.217 5.402 7.381
85 HG22 ILE 9 HG22 ILE 9 26.992 4.923 5.697
86 HG23 ILE 9 HG23 ILE 9 27.714 6.482 6.084
87 HD11 ILE 9 HD11 ILE 9 27.673 1.837 7.495
88 HD12 ILE 9 HD12 ILE 9 27.167 2.913 6.199
89 HD13 ILE 9 HD13 ILE 9 26.988 3.415 7.875
90 H ALA 10 HN ALA 10 27.223 3.923 4.100
91 HA ALA 10 HA ALA 10 27.632 1.098 4.027
92 HB1 ALA 10 HB1 ALA 10 25.402 2.162 4.276
93 HB2 ALA 10 HB2 ALA 10 25.455 1.014 2.939
94 HB3 ALA 10 HB3 ALA 10 25.520 2.746 2.616
95 H GLY 11 HN GLY 11 26.916 3.298 1.298
96 HA2 GLY 11 HA2 GLY 11 27.662 1.598 -0.755
97 HA3 GLY 11 HA1 GLY 11 27.774 3.354 -0.847
98 H LEU 12 HN LEU 12 29.558 2.982 1.675
99 HA LEU 12 HA LEU 12 32.041 2.658 0.149
100 HB2 LEU 12 HB2 LEU 12 31.559 4.782 1.486
101 HB3 LEU 12 HB1 LEU 12 31.786 3.795 2.931
102 HG LEU 12 HG LEU 12 33.983 3.090 1.472
103 HD11 LEU 12 HD11 LEU 12 33.674 6.067 1.043
104 HD12 LEU 12 HD12 LEU 12 33.265 4.889 -0.203
105 HD13 LEU 12 HD13 LEU 12 34.920 5.002 0.394
106 HD21 LEU 12 HD21 LEU 12 33.682 5.429 3.385
107 HD22 LEU 12 HD22 LEU 12 35.213 4.660 2.968
108 HD23 LEU 12 HD23 LEU 12 33.976 3.748 3.833
109 H VAL 13 HN VAL 13 30.155 1.307 2.744
110 HA VAL 13 HA VAL 13 32.348 -0.585 3.360
111 HB VAL 13 HB VAL 13 29.954 0.230 5.020
112 HG11 VAL 13 HG11 VAL 13 31.516 -1.248 6.669
113 HG12 VAL 13 HG12 VAL 13 31.807 -2.086 5.145
114 HG13 VAL 13 HG13 VAL 13 30.162 -1.924 5.762
115 HG21 VAL 13 HG21 VAL 13 31.509 1.327 6.417
116 HG22 VAL 13 HG22 VAL 13 32.094 1.706 4.797
117 HG23 VAL 13 HG23 VAL 13 32.876 0.440 5.743
118 H ALA 14 HN ALA 14 28.788 -0.464 3.081
119 HA ALA 14 HA ALA 14 28.174 -3.122 3.082
120 HB1 ALA 14 HB1 ALA 14 26.267 -2.607 1.685
121 HB2 ALA 14 HB2 ALA 14 27.053 -1.151 1.078
122 HB3 ALA 14 HB3 ALA 14 26.547 -1.242 2.764
123 H LEU 15 HN LEU 15 29.283 -1.257 0.251
124 HA LEU 15 HA LEU 15 29.338 -3.427 -1.553
125 HB2 LEU 15 HB2 LEU 15 31.117 -0.976 -1.556
126 HB3 LEU 15 HB1 LEU 15 30.741 -2.007 -2.940
127 HG LEU 15 HG LEU 15 28.723 -0.400 -1.352
128 HD11 LEU 15 HD11 LEU 15 30.486 0.647 -3.106
129 HD12 LEU 15 HD12 LEU 15 28.835 1.242 -2.954
130 HD13 LEU 15 HD13 LEU 15 29.248 0.104 -4.238
131 HD21 LEU 15 HD21 LEU 15 28.524 -2.397 -3.579
132 HD22 LEU 15 HD22 LEU 15 27.390 -1.048 -3.552
133 HD23 LEU 15 HD23 LEU 15 27.465 -2.164 -2.188
134 H LEU 16 HN LEU 16 31.550 -2.281 0.871
135 HA LEU 16 HA LEU 16 33.597 -4.220 0.072
136 HB2 LEU 16 HB2 LEU 16 33.751 -2.262 2.355
137 HB3 LEU 16 HB1 LEU 16 35.080 -3.044 1.496
138 HG LEU 16 HG LEU 16 33.171 -0.975 0.375
139 HD11 LEU 16 HD11 LEU 16 35.148 -0.304 1.895
140 HD12 LEU 16 HD12 LEU 16 35.037 0.484 0.321
141 HD13 LEU 16 HD13 LEU 16 36.181 -0.836 0.568
142 HD21 LEU 16 HD21 LEU 16 35.224 -2.767 -0.910
143 HD22 LEU 16 HD22 LEU 16 34.835 -1.197 -1.611
144 HD23 LEU 16 HD23 LEU 16 33.576 -2.421 -1.436
145 H THR 17 HN THR 17 30.843 -4.451 1.660
146 HA THR 17 HA THR 17 31.869 -6.515 3.477
147 HB THR 17 HB THR 17 30.115 -4.192 4.269
148 HG1 THR 17 HG1 THR 17 32.570 -4.457 4.477
149 HG21 THR 17 HG21 THR 17 28.880 -5.892 5.243
150 HG22 THR 17 HG22 THR 17 30.093 -5.629 6.496
151 HG23 THR 17 HG23 THR 17 30.268 -6.972 5.366
152 H PHE 18 HN PHE 18 28.692 -4.997 2.973
153 HA PHE 18 HA PHE 18 27.130 -7.245 3.073
154 HB2 PHE 18 HB2 PHE 18 26.509 -4.725 2.714
155 HB3 PHE 18 HB1 PHE 18 26.523 -5.158 1.006
156 HD1 PHE 18 HD2 PHE 18 25.255 -6.515 4.271
157 HD2 PHE 18 HD1 PHE 18 24.525 -5.936 0.077
158 HE1 PHE 18 HE2 PHE 18 23.011 -7.538 4.520
159 HE2 PHE 18 HE1 PHE 18 22.281 -6.959 0.326
160 HZ PHE 18 HZ PHE 18 21.524 -7.759 2.548
161 H LEU 19 HN LEU 19 28.575 -5.849 0.123
162 HA LEU 19 HA LEU 19 27.728 -7.984 -1.574
163 HB2 LEU 19 HB2 LEU 19 29.694 -5.723 -1.829
164 HB3 LEU 19 HB1 LEU 19 29.611 -6.968 -3.070
165 HG LEU 19 HG LEU 19 28.155 -4.939 -3.506
166 HD11 LEU 19 HD11 LEU 19 26.086 -6.964 -3.285
167 HD12 LEU 19 HD12 LEU 19 27.585 -7.672 -3.883
168 HD13 LEU 19 HD13 LEU 19 26.852 -6.312 -4.733
169 HD21 LEU 19 HD21 LEU 19 26.228 -4.540 -2.170
170 HD22 LEU 19 HD22 LEU 19 27.546 -4.770 -1.023
171 HD23 LEU 19 HD23 LEU 19 26.404 -6.077 -1.321
172 H ALA 20 HN ALA 20 30.874 -7.155 -0.113
173 HA ALA 20 HA ALA 20 32.462 -9.151 -1.101
174 HB1 ALA 20 HB1 ALA 20 33.817 -8.064 0.323
175 HB2 ALA 20 HB2 ALA 20 33.145 -9.072 1.606
176 HB3 ALA 20 HB3 ALA 20 32.451 -7.484 1.277
177 H PHE 21 HN PHE 21 30.491 -9.418 1.870
178 HA PHE 21 HA PHE 21 30.919 -12.277 1.991
179 HB2 PHE 21 HB2 PHE 21 29.264 -10.367 3.646
180 HB3 PHE 21 HB1 PHE 21 29.325 -12.104 3.945
181 HD1 PHE 21 HD1 PHE 21 31.617 -9.184 3.399
182 HD2 PHE 21 HD2 PHE 21 30.976 -12.944 5.372
183 HE1 PHE 21 HE1 PHE 21 33.742 -8.892 4.643
184 HE2 PHE 21 HE2 PHE 21 33.101 -12.653 6.617
185 HZ PHE 21 HZ PHE 21 34.482 -10.626 6.251
186 H GLY 22 HN GLY 22 28.350 -10.059 1.050
187 HA2 GLY 22 HA2 GLY 22 26.194 -11.818 0.875
188 HA3 GLY 22 HA1 GLY 22 26.413 -10.403 -0.149
189 H PHE 23 HN PHE 23 28.692 -11.069 -1.543
190 HA PHE 23 HA PHE 23 27.726 -12.600 -3.652
191 HB2 PHE 23 HB2 PHE 23 30.250 -11.369 -2.919
192 HB3 PHE 23 HB1 PHE 23 30.504 -12.908 -3.744
193 HD1 PHE 23 HD1 PHE 23 28.785 -13.293 -5.794
194 HD2 PHE 23 HD2 PHE 23 30.055 -9.480 -4.278
195 HE1 PHE 23 HE1 PHE 23 28.206 -12.237 -7.962
196 HE2 PHE 23 HE2 PHE 23 29.478 -8.426 -6.445
197 HZ PHE 23 HZ PHE 23 28.553 -9.804 -8.288
198 H TRP 24 HN TRP 24 28.949 -13.586 -0.624
199 HA TRP 24 HA TRP 24 29.390 -16.337 -1.569
200 HB2 TRP 24 HB2 TRP 24 31.253 -15.529 -0.297
201 HB3 TRP 24 HB1 TRP 24 30.192 -14.924 0.976
202 HD1 TRP 24 HD1 TRP 24 30.654 -18.336 -0.785
203 HE1 TRP 24 HE1 TRP 24 30.626 -20.182 1.018
204 HE3 TRP 24 HE3 TRP 24 29.997 -15.476 3.375
205 HZ2 TRP 24 HZ2 TRP 24 30.358 -20.406 3.853
206 HZ3 TRP 24 HZ3 TRP 24 29.856 -16.524 5.622
207 HH2 TRP 24 HH2 TRP 24 30.036 -18.984 5.863
208 H LEU 25 HN LEU 25 28.294 -15.022 1.529
209 HA LEU 25 HA LEU 25 26.817 -16.840 2.667
210 HB2 LEU 25 HB2 LEU 25 26.262 -13.963 2.252
211 HB3 LEU 25 HB1 LEU 25 24.920 -14.934 2.860
212 HG LEU 25 HG LEU 25 27.658 -15.198 4.074
213 HD11 LEU 25 HD11 LEU 25 27.045 -13.480 5.726
214 HD12 LEU 25 HD12 LEU 25 25.542 -13.172 4.858
215 HD13 LEU 25 HD13 LEU 25 27.087 -12.788 4.105
216 HD21 LEU 25 HD21 LEU 25 25.160 -15.304 5.666
217 HD22 LEU 25 HD22 LEU 25 26.567 -16.365 5.712
218 HD23 LEU 25 HD23 LEU 25 25.342 -16.581 4.464
219 H PHE 26 HN PHE 26 25.253 -14.928 0.080
220 HA PHE 26 HA PHE 26 23.031 -16.717 -0.067
221 HB2 PHE 26 HB2 PHE 26 23.855 -14.835 -2.266
222 HB3 PHE 26 HB1 PHE 26 22.231 -15.329 -1.794
223 HD1 PHE 26 HD2 PHE 26 21.972 -14.951 0.989
224 HD2 PHE 26 HD1 PHE 26 24.250 -12.588 -1.785
225 HE1 PHE 26 HE2 PHE 26 21.821 -13.011 2.517
226 HE2 PHE 26 HE1 PHE 26 24.098 -10.647 -0.253
227 HZ PHE 26 HZ PHE 26 22.888 -10.859 1.899
228 H LYS 27 HN LYS 27 25.515 -15.982 -2.516
229 HA LYS 27 HA LYS 27 24.941 -18.038 -4.265
230 HB2 LYS 27 HB2 LYS 27 27.762 -17.125 -3.713
231 HB3 LYS 27 HB1 LYS 27 27.072 -17.674 -5.239
232 HG2 LYS 27 HG2 LYS 27 26.429 -15.099 -3.772
233 HG3 LYS 27 HG1 LYS 27 27.234 -15.264 -5.330
234 HD2 LYS 27 HD2 LYS 27 25.060 -16.519 -6.047
235 HD3 LYS 27 HD1 LYS 27 24.342 -15.726 -4.643
236 HE2 LYS 27 HE2 LYS 27 25.618 -13.613 -5.750
237 HE3 LYS 27 HE1 LYS 27 25.280 -14.551 -7.205
238 HZ1 LYS 27 HZ1 LYS 27 23.531 -12.886 -6.203
239 HZ2 LYS 27 HZ2 LYS 27 23.128 -14.235 -5.250
240 HZ3 LYS 27 HZ3 LYS 27 23.048 -14.334 -6.944
241 H TYR 28 HN TYR 28 25.960 -18.441 -1.087
242 HA TYR 28 HA TYR 28 27.015 -21.145 -1.697
243 HB2 TYR 28 HB2 TYR 28 28.849 -20.448 -0.595
244 HB3 TYR 28 HB1 TYR 28 28.022 -19.057 0.098
245 HD1 TYR 28 HD2 TYR 28 28.152 -22.790 0.362
246 HD2 TYR 28 HD1 TYR 28 27.473 -19.056 2.373
247 HE1 TYR 28 HE2 TYR 28 27.932 -23.992 2.520
248 HE2 TYR 28 HE1 TYR 28 27.252 -20.256 4.531
249 HH TYR 28 HH TYR 28 28.337 -22.998 5.227
250 H LEU 29 HN LEU 29 24.954 -19.213 0.434
251 HA LEU 29 HA LEU 29 23.952 -21.709 1.645
252 HB2 LEU 29 HB2 LEU 29 24.725 -19.468 2.909
253 HB3 LEU 29 HB1 LEU 29 23.029 -19.068 2.640
254 HG LEU 29 HG LEU 29 24.054 -21.596 3.965
255 HD11 LEU 29 HD11 LEU 29 22.795 -19.061 5.036
256 HD12 LEU 29 HD12 LEU 29 24.352 -19.764 5.476
257 HD13 LEU 29 HD13 LEU 29 22.855 -20.561 5.961
258 HD21 LEU 29 HD21 LEU 29 21.342 -20.624 3.116
259 HD22 LEU 29 HD22 LEU 29 21.480 -21.606 4.574
260 HD23 LEU 29 HD23 LEU 29 22.022 -22.248 3.024
261 H GLN 30 HN GLN 30 22.882 -18.792 -0.041
262 HA GLN 30 HA GLN 30 20.106 -19.459 0.011
263 HB2 GLN 30 HB2 GLN 30 20.748 -17.165 -0.334
264 HB3 GLN 30 HB1 GLN 30 21.694 -17.594 -1.758
265 HG2 GLN 30 HG2 GLN 30 19.861 -17.819 -3.096
266 HG3 GLN 30 HG1 GLN 30 18.847 -18.422 -1.786
267 HE21 GLN 30 HE21 GLN 30 20.589 -15.482 -1.089
268 HE22 GLN 30 HE22 GLN 30 19.273 -14.427 -1.272
269 H LYS 31 HN LYS 31 22.779 -20.425 -1.966
270 HA LYS 31 HA LYS 31 20.977 -21.563 -3.997
271 HB2 LYS 31 HB2 LYS 31 23.853 -20.799 -3.924
272 HB3 LYS 31 HB1 LYS 31 23.400 -22.159 -4.953
273 HG2 LYS 31 HG2 LYS 31 23.316 -19.957 -6.143
274 HG3 LYS 31 HG1 LYS 31 21.763 -20.793 -6.122
275 HD2 LYS 31 HD2 LYS 31 20.822 -19.309 -4.618
276 HD3 LYS 31 HD1 LYS 31 22.375 -18.901 -3.887
277 HE2 LYS 31 HE2 LYS 31 23.005 -17.641 -5.910
278 HE3 LYS 31 HE1 LYS 31 21.464 -18.059 -6.657
279 HZ1 LYS 31 HZ1 LYS 31 21.880 -16.430 -4.212
280 HZ2 LYS 31 HZ2 LYS 31 20.359 -16.957 -4.754
281 HZ3 LYS 31 HZ3 LYS 31 21.281 -15.896 -5.706
282 H LYS 32 HN LYS 32 23.615 -22.485 -1.805
283 HA LYS 32 HA LYS 32 22.985 -25.320 -2.256
284 HB2 LYS 32 HB2 LYS 32 25.188 -24.567 -0.423
285 HB3 LYS 32 HB1 LYS 32 25.134 -25.809 -1.670
286 HG2 LYS 32 HG2 LYS 32 25.387 -22.827 -2.202
287 HG3 LYS 32 HG1 LYS 32 26.715 -23.981 -2.240
288 HD2 LYS 32 HD2 LYS 32 25.719 -25.182 -4.087
289 HD3 LYS 32 HD1 LYS 32 24.247 -24.217 -3.986
290 HE2 LYS 32 HE2 LYS 32 25.538 -23.292 -5.780
291 HE3 LYS 32 HE1 LYS 32 25.689 -22.171 -4.427
292 HZ1 LYS 32 HZ1 LYS 32 27.783 -23.300 -3.840
293 HZ2 LYS 32 HZ2 LYS 32 27.839 -22.562 -5.370
294 HZ3 LYS 32 HZ3 LYS 32 27.650 -24.246 -5.242
Start of MODEL 22
1 H1 LYS 1 HT1 LYS 1 22.426 16.515 2.518
2 H2 LYS 1 HT2 LYS 1 23.025 18.101 2.627
3 H3 LYS 1 HT3 LYS 1 24.026 16.848 2.066
4 HA LYS 1 HA LYS 1 21.625 17.941 0.705
5 HB2 LYS 1 HB2 LYS 1 23.859 19.223 0.685
6 HB3 LYS 1 HB1 LYS 1 24.482 17.881 -0.276
7 HG2 LYS 1 HG2 LYS 1 23.705 19.155 -2.015
8 HG3 LYS 1 HG1 LYS 1 22.183 18.359 -1.614
9 HD2 LYS 1 HD2 LYS 1 21.610 20.256 -0.114
10 HD3 LYS 1 HD1 LYS 1 23.102 21.063 -0.596
11 HE2 LYS 1 HE2 LYS 1 21.937 21.967 -2.303
12 HE3 LYS 1 HE1 LYS 1 21.889 20.354 -3.012
13 HZ1 LYS 1 HZ1 LYS 1 19.921 20.188 -1.223
14 HZ2 LYS 1 HZ2 LYS 1 19.685 20.646 -2.841
15 HZ3 LYS 1 HZ3 LYS 1 19.814 21.831 -1.630
16 H LYS 2 HN LYS 2 24.392 15.696 0.475
17 HA LYS 2 HA LYS 2 23.056 14.180 -1.624
18 HB2 LYS 2 HB2 LYS 2 25.488 14.575 -1.755
19 HB3 LYS 2 HB1 LYS 2 25.703 13.705 -0.236
20 HG2 LYS 2 HG2 LYS 2 24.116 12.150 -2.105
21 HG3 LYS 2 HG1 LYS 2 25.667 12.584 -2.815
22 HD2 LYS 2 HD2 LYS 2 25.304 11.300 -0.090
23 HD3 LYS 2 HD1 LYS 2 25.757 10.433 -1.555
24 HE2 LYS 2 HE2 LYS 2 27.430 11.963 0.250
25 HE3 LYS 2 HE1 LYS 2 27.907 10.888 -1.060
26 HZ1 LYS 2 HZ1 LYS 2 28.704 13.076 -1.522
27 HZ2 LYS 2 HZ2 LYS 2 27.164 13.753 -1.288
28 HZ3 LYS 2 HZ3 LYS 2 27.453 12.733 -2.615
29 H HIS 3 HN HIS 3 21.453 12.878 -0.955
30 HA HIS 3 HA HIS 3 20.238 11.441 0.398
31 HB2 HIS 3 HB2 HIS 3 21.906 10.022 -0.879
32 HB3 HIS 3 HB1 HIS 3 22.898 10.019 0.579
33 HD2 HIS 3 HD2 HIS 3 22.220 7.154 0.714
34 HE1 HIS 3 HE1 HIS 3 18.300 7.895 2.095
35 HE2 HIS 3 HE2 HIS 3 20.075 6.108 1.777
36 H THR 4 HN THR 4 22.334 9.863 2.289
37 HA THR 4 HA THR 4 22.130 11.785 4.531
38 HB THR 4 HB THR 4 20.428 10.154 4.938
39 HG1 THR 4 HG1 THR 4 21.915 8.812 6.578
40 HG21 THR 4 HG21 THR 4 20.568 8.158 3.919
41 HG22 THR 4 HG22 THR 4 21.797 7.690 5.091
42 HG23 THR 4 HG23 THR 4 22.274 8.416 3.556
43 H ILE 5 HN ILE 5 23.293 8.768 5.415
44 HA ILE 5 HA ILE 5 26.095 9.691 5.185
45 HB ILE 5 HB ILE 5 26.397 8.130 7.219
46 HG12 ILE 5 HG12 ILE 5 23.633 8.741 8.018
47 HG13 ILE 5 HG11 ILE 5 23.747 7.557 6.717
48 HG21 ILE 5 HG21 ILE 5 24.939 10.776 7.268
49 HG22 ILE 5 HG22 ILE 5 26.658 10.475 7.522
50 HG23 ILE 5 HG23 ILE 5 25.486 9.982 8.746
51 HD11 ILE 5 HD11 ILE 5 25.108 6.106 8.014
52 HD12 ILE 5 HD12 ILE 5 23.828 6.632 9.106
53 HD13 ILE 5 HD13 ILE 5 25.433 7.357 9.212
54 H TRP 6 HN TRP 6 23.816 7.158 4.590
55 HA TRP 6 HA TRP 6 25.285 4.868 4.391
56 HB2 TRP 6 HB2 TRP 6 22.900 5.911 3.144
57 HB3 TRP 6 HB1 TRP 6 23.823 4.955 1.987
58 HD1 TRP 6 HD1 TRP 6 22.622 2.696 1.985
59 HE1 TRP 6 HE1 TRP 6 22.012 0.949 3.774
60 HE3 TRP 6 HE3 TRP 6 23.870 5.288 6.195
61 HZ2 TRP 6 HZ2 TRP 6 22.048 0.689 6.617
62 HZ3 TRP 6 HZ3 TRP 6 23.572 4.269 8.435
63 HH2 TRP 6 HH2 TRP 6 22.663 1.973 8.652
64 H GLU 7 HN GLU 7 24.918 7.159 1.671
65 HA GLU 7 HA GLU 7 26.810 6.018 -0.015
66 HB2 GLU 7 HB2 GLU 7 25.371 8.525 0.178
67 HB3 GLU 7 HB1 GLU 7 26.994 8.761 -0.468
68 HG2 GLU 7 HG2 GLU 7 25.085 6.644 -1.484
69 HG3 GLU 7 HG1 GLU 7 25.243 8.240 -2.215
70 H VAL 8 HN VAL 8 27.358 7.414 2.990
71 HA VAL 8 HA VAL 8 30.127 8.163 2.324
72 HB VAL 8 HB VAL 8 28.792 8.639 4.980
73 HG11 VAL 8 HG11 VAL 8 31.318 8.874 4.552
74 HG12 VAL 8 HG12 VAL 8 30.498 10.263 5.262
75 HG13 VAL 8 HG13 VAL 8 30.898 10.258 3.546
76 HG21 VAL 8 HG21 VAL 8 27.353 9.614 3.218
77 HG22 VAL 8 HG22 VAL 8 28.757 10.425 2.523
78 HG23 VAL 8 HG23 VAL 8 28.180 10.879 4.126
79 H ILE 9 HN ILE 9 28.206 6.055 4.417
80 HA ILE 9 HA ILE 9 30.682 4.656 5.196
81 HB ILE 9 HB ILE 9 29.801 5.342 7.207
82 HG12 ILE 9 HG12 ILE 9 29.631 2.661 6.796
83 HG13 ILE 9 HG11 ILE 9 29.279 3.436 8.326
84 HG21 ILE 9 HG21 ILE 9 27.305 5.369 7.655
85 HG22 ILE 9 HG22 ILE 9 27.088 5.052 5.932
86 HG23 ILE 9 HG23 ILE 9 27.903 6.519 6.469
87 HD11 ILE 9 HD11 ILE 9 27.520 1.783 7.461
88 HD12 ILE 9 HD12 ILE 9 27.119 3.000 6.256
89 HD13 ILE 9 HD13 ILE 9 26.933 3.363 7.967
90 H ALA 10 HN ALA 10 27.290 4.191 4.254
91 HA ALA 10 HA ALA 10 27.530 1.360 3.927
92 HB1 ALA 10 HB1 ALA 10 25.363 2.533 4.265
93 HB2 ALA 10 HB2 ALA 10 25.363 1.499 2.837
94 HB3 ALA 10 HB3 ALA 10 25.530 3.246 2.660
95 H GLY 11 HN GLY 11 26.977 3.846 1.415
96 HA2 GLY 11 HA2 GLY 11 27.651 2.299 -0.784
97 HA3 GLY 11 HA1 GLY 11 27.858 4.049 -0.712
98 H LEU 12 HN LEU 12 29.587 3.327 1.780
99 HA LEU 12 HA LEU 12 32.071 3.016 0.250
100 HB2 LEU 12 HB2 LEU 12 31.677 5.030 1.781
101 HB3 LEU 12 HB1 LEU 12 31.848 3.900 3.124
102 HG LEU 12 HG LEU 12 34.027 3.196 1.719
103 HD11 LEU 12 HD11 LEU 12 33.324 5.063 0.044
104 HD12 LEU 12 HD12 LEU 12 35.013 4.973 0.534
105 HD13 LEU 12 HD13 LEU 12 33.948 6.174 1.263
106 HD21 LEU 12 HD21 LEU 12 34.043 3.890 4.060
107 HD22 LEU 12 HD22 LEU 12 33.776 5.570 3.595
108 HD23 LEU 12 HD23 LEU 12 35.297 4.774 3.190
109 H VAL 13 HN VAL 13 30.077 1.550 2.698
110 HA VAL 13 HA VAL 13 32.124 -0.554 3.099
111 HB VAL 13 HB VAL 13 29.870 0.267 4.945
112 HG11 VAL 13 HG11 VAL 13 30.226 -2.088 5.186
113 HG12 VAL 13 HG12 VAL 13 31.113 -1.322 6.504
114 HG13 VAL 13 HG13 VAL 13 31.976 -1.900 5.079
115 HG21 VAL 13 HG21 VAL 13 31.482 1.333 6.260
116 HG22 VAL 13 HG22 VAL 13 32.070 1.695 4.639
117 HG23 VAL 13 HG23 VAL 13 32.807 0.394 5.574
118 H ALA 14 HN ALA 14 28.580 -0.090 3.067
119 HA ALA 14 HA ALA 14 27.721 -2.672 2.873
120 HB1 ALA 14 HB1 ALA 14 25.803 -1.853 1.612
121 HB2 ALA 14 HB2 ALA 14 26.682 -0.386 1.180
122 HB3 ALA 14 HB3 ALA 14 26.231 -0.683 2.859
123 H LEU 15 HN LEU 15 28.887 -0.656 0.179
124 HA LEU 15 HA LEU 15 28.597 -2.651 -1.807
125 HB2 LEU 15 HB2 LEU 15 28.894 -0.225 -2.298
126 HB3 LEU 15 HB1 LEU 15 30.561 -0.343 -1.740
127 HG LEU 15 HG LEU 15 31.010 -2.054 -3.486
128 HD11 LEU 15 HD11 LEU 15 28.079 -1.666 -3.940
129 HD12 LEU 15 HD12 LEU 15 29.049 -3.135 -4.057
130 HD13 LEU 15 HD13 LEU 15 29.098 -1.941 -5.354
131 HD21 LEU 15 HD21 LEU 15 30.744 -0.475 -5.457
132 HD22 LEU 15 HD22 LEU 15 31.550 0.220 -4.050
133 HD23 LEU 15 HD23 LEU 15 29.859 0.602 -4.378
134 H LEU 16 HN LEU 16 31.088 -1.906 0.527
135 HA LEU 16 HA LEU 16 32.918 -3.880 -0.613
136 HB2 LEU 16 HB2 LEU 16 33.322 -2.277 1.908
137 HB3 LEU 16 HB1 LEU 16 34.547 -3.032 0.889
138 HG LEU 16 HG LEU 16 32.776 -0.687 0.151
139 HD11 LEU 16 HD11 LEU 16 34.765 0.610 0.193
140 HD12 LEU 16 HD12 LEU 16 35.793 -0.822 0.228
141 HD13 LEU 16 HD13 LEU 16 34.849 -0.380 1.650
142 HD21 LEU 16 HD21 LEU 16 34.627 -2.435 -1.465
143 HD22 LEU 16 HD22 LEU 16 34.342 -0.756 -1.926
144 HD23 LEU 16 HD23 LEU 16 32.995 -1.893 -1.860
145 H THR 17 HN THR 17 30.259 -4.008 1.270
146 HA THR 17 HA THR 17 31.284 -6.289 2.849
147 HB THR 17 HB THR 17 29.418 -4.079 3.585
148 HG1 THR 17 HG1 THR 17 31.469 -4.010 4.403
149 HG21 THR 17 HG21 THR 17 28.731 -5.624 5.537
150 HG22 THR 17 HG22 THR 17 29.242 -6.948 4.492
151 HG23 THR 17 HG23 THR 17 27.935 -5.876 3.985
152 H PHE 18 HN PHE 18 28.174 -4.958 1.707
153 HA PHE 18 HA PHE 18 26.605 -7.164 1.686
154 HB2 PHE 18 HB2 PHE 18 26.218 -4.735 0.728
155 HB3 PHE 18 HB1 PHE 18 26.603 -5.512 -0.808
156 HD1 PHE 18 HD1 PHE 18 24.440 -5.885 2.223
157 HD2 PHE 18 HD2 PHE 18 24.957 -6.744 -1.954
158 HE1 PHE 18 HE1 PHE 18 22.152 -6.836 2.136
159 HE2 PHE 18 HE2 PHE 18 22.669 -7.695 -2.041
160 HZ PHE 18 HZ PHE 18 21.266 -7.741 0.003
161 H LEU 19 HN LEU 19 28.814 -6.275 -0.977
162 HA LEU 19 HA LEU 19 28.361 -8.669 -2.457
163 HB2 LEU 19 HB2 LEU 19 30.431 -6.490 -2.548
164 HB3 LEU 19 HB1 LEU 19 30.605 -7.926 -3.553
165 HG LEU 19 HG LEU 19 29.417 -5.999 -4.679
166 HD11 LEU 19 HD11 LEU 19 28.822 -8.740 -4.749
167 HD12 LEU 19 HD12 LEU 19 28.360 -7.536 -5.949
168 HD13 LEU 19 HD13 LEU 19 27.253 -7.946 -4.641
169 HD21 LEU 19 HD21 LEU 19 27.124 -6.711 -2.844
170 HD22 LEU 19 HD22 LEU 19 27.234 -5.357 -3.968
171 HD23 LEU 19 HD23 LEU 19 28.219 -5.371 -2.506
172 H ALA 20 HN ALA 20 31.085 -7.607 -0.409
173 HA ALA 20 HA ALA 20 32.746 -9.773 -0.599
174 HB1 ALA 20 HB1 ALA 20 33.515 -9.257 1.664
175 HB2 ALA 20 HB2 ALA 20 32.056 -8.315 1.961
176 HB3 ALA 20 HB3 ALA 20 33.227 -7.768 0.764
177 H PHE 21 HN PHE 21 30.084 -9.461 1.771
178 HA PHE 21 HA PHE 21 30.319 -12.243 2.520
179 HB2 PHE 21 HB2 PHE 21 28.384 -10.057 3.295
180 HB3 PHE 21 HB1 PHE 21 28.280 -11.706 3.911
181 HD1 PHE 21 HD2 PHE 21 30.519 -8.739 3.674
182 HD2 PHE 21 HD1 PHE 21 29.711 -12.465 5.651
183 HE1 PHE 21 HE2 PHE 21 32.261 -8.221 5.359
184 HE2 PHE 21 HE1 PHE 21 31.452 -11.947 7.338
185 HZ PHE 21 HZ PHE 21 32.727 -9.824 7.192
186 H GLY 22 HN GLY 22 28.185 -10.252 0.547
187 HA2 GLY 22 HA2 GLY 22 26.079 -12.035 0.130
188 HA3 GLY 22 HA1 GLY 22 26.607 -10.820 -1.031
189 H PHE 23 HN PHE 23 29.138 -11.699 -1.655
190 HA PHE 23 HA PHE 23 28.687 -13.586 -3.643
191 HB2 PHE 23 HB2 PHE 23 30.982 -12.220 -2.511
192 HB3 PHE 23 HB1 PHE 23 31.384 -13.878 -2.959
193 HD1 PHE 23 HD1 PHE 23 30.229 -14.642 -5.283
194 HD2 PHE 23 HD2 PHE 23 31.222 -10.609 -4.186
195 HE1 PHE 23 HE1 PHE 23 30.266 -13.998 -7.678
196 HE2 PHE 23 HE2 PHE 23 31.258 -9.965 -6.577
197 HZ PHE 23 HZ PHE 23 30.778 -11.660 -8.325
198 H TRP 24 HN TRP 24 29.054 -14.011 -0.281
199 HA TRP 24 HA TRP 24 29.623 -16.881 -0.588
200 HB2 TRP 24 HB2 TRP 24 31.128 -15.843 0.959
201 HB3 TRP 24 HB1 TRP 24 29.801 -15.032 1.792
202 HD1 TRP 24 HD1 TRP 24 30.572 -18.697 0.829
203 HE1 TRP 24 HE1 TRP 24 30.019 -20.194 2.859
204 HE3 TRP 24 HE3 TRP 24 28.984 -15.150 4.117
205 HZ2 TRP 24 HZ2 TRP 24 29.031 -19.914 5.524
206 HZ3 TRP 24 HZ3 TRP 24 28.240 -15.783 6.399
207 HH2 TRP 24 HH2 TRP 24 28.261 -18.160 7.104
208 H LEU 25 HN LEU 25 27.822 -15.048 1.846
209 HA LEU 25 HA LEU 25 26.036 -16.648 2.860
210 HB2 LEU 25 HB2 LEU 25 25.719 -13.896 1.828
211 HB3 LEU 25 HB1 LEU 25 24.228 -14.754 2.218
212 HG LEU 25 HG LEU 25 26.546 -14.777 4.133
213 HD11 LEU 25 HD11 LEU 25 24.363 -12.675 3.990
214 HD12 LEU 25 HD12 LEU 25 26.062 -12.404 3.602
215 HD13 LEU 25 HD13 LEU 25 25.587 -12.808 5.252
216 HD21 LEU 25 HD21 LEU 25 25.036 -15.670 5.595
217 HD22 LEU 25 HD22 LEU 25 24.154 -16.092 4.129
218 HD23 LEU 25 HD23 LEU 25 23.725 -14.636 5.027
219 H PHE 26 HN PHE 26 25.262 -15.237 -0.334
220 HA PHE 26 HA PHE 26 23.087 -17.043 -0.742
221 HB2 PHE 26 HB2 PHE 26 24.522 -15.571 -2.939
222 HB3 PHE 26 HB1 PHE 26 22.814 -15.989 -2.832
223 HD1 PHE 26 HD1 PHE 26 21.862 -15.128 -0.318
224 HD2 PHE 26 HD2 PHE 26 24.861 -13.271 -2.772
225 HE1 PHE 26 HE1 PHE 26 21.394 -12.949 0.761
226 HE2 PHE 26 HE2 PHE 26 24.387 -11.091 -1.693
227 HZ PHE 26 HZ PHE 26 22.659 -10.930 0.075
228 H LYS 27 HN LYS 27 26.148 -16.735 -2.544
229 HA LYS 27 HA LYS 27 25.958 -19.077 -3.995
230 HB2 LYS 27 HB2 LYS 27 28.579 -18.051 -2.910
231 HB3 LYS 27 HB1 LYS 27 28.277 -18.872 -4.440
232 HG2 LYS 27 HG2 LYS 27 27.378 -16.083 -3.663
233 HG3 LYS 27 HG1 LYS 27 28.545 -16.515 -4.909
234 HD2 LYS 27 HD2 LYS 27 26.580 -17.900 -5.924
235 HD3 LYS 27 HD1 LYS 27 25.560 -16.872 -4.916
236 HE2 LYS 27 HE2 LYS 27 27.153 -14.983 -6.014
237 HE3 LYS 27 HE1 LYS 27 27.165 -16.172 -7.315
238 HZ1 LYS 27 HZ1 LYS 27 24.548 -15.912 -6.320
239 HZ2 LYS 27 HZ2 LYS 27 25.130 -15.562 -7.877
240 HZ3 LYS 27 HZ3 LYS 27 25.149 -14.366 -6.673
241 H TYR 28 HN TYR 28 26.079 -18.907 -0.653
242 HA TYR 28 HA TYR 28 27.167 -21.661 -0.482
243 HB2 TYR 28 HB2 TYR 28 28.689 -20.762 0.914
244 HB3 TYR 28 HB1 TYR 28 27.766 -19.277 1.116
245 HD1 TYR 28 HD2 TYR 28 27.678 -22.901 2.053
246 HD2 TYR 28 HD1 TYR 28 26.662 -18.873 3.139
247 HE1 TYR 28 HE2 TYR 28 26.875 -23.699 4.262
248 HE2 TYR 28 HE1 TYR 28 25.857 -19.668 5.345
249 HH TYR 28 HH TYR 28 26.593 -22.106 6.798
250 H LEU 29 HN LEU 29 24.707 -19.395 0.665
251 HA LEU 29 HA LEU 29 23.332 -21.636 2.000
252 HB2 LEU 29 HB2 LEU 29 23.848 -19.200 3.007
253 HB3 LEU 29 HB1 LEU 29 22.298 -18.861 2.240
254 HG LEU 29 HG LEU 29 22.834 -21.106 4.207
255 HD11 LEU 29 HD11 LEU 29 21.466 -18.420 4.456
256 HD12 LEU 29 HD12 LEU 29 22.823 -19.033 5.401
257 HD13 LEU 29 HD13 LEU 29 21.216 -19.728 5.612
258 HD21 LEU 29 HD21 LEU 29 20.191 -21.003 4.122
259 HD22 LEU 29 HD22 LEU 29 21.081 -21.921 2.906
260 HD23 LEU 29 HD23 LEU 29 20.477 -20.308 2.527
261 H GLN 30 HN GLN 30 22.850 -19.078 -0.395
262 HA GLN 30 HA GLN 30 20.126 -19.739 -0.946
263 HB2 GLN 30 HB2 GLN 30 20.931 -17.544 -1.511
264 HB3 GLN 30 HB1 GLN 30 22.192 -18.217 -2.541
265 HG2 GLN 30 HG2 GLN 30 20.759 -18.675 -4.253
266 HG3 GLN 30 HG1 GLN 30 19.421 -19.057 -3.172
267 HE21 GLN 30 HE21 GLN 30 21.043 -16.023 -2.570
268 HE22 GLN 30 HE22 GLN 30 19.850 -15.027 -3.248
269 H LYS 31 HN LYS 31 23.173 -21.030 -1.968
270 HA LYS 31 HA LYS 31 21.902 -22.529 -4.158
271 HB2 LYS 31 HB2 LYS 31 24.695 -21.756 -3.474
272 HB3 LYS 31 HB1 LYS 31 24.460 -23.279 -4.332
273 HG2 LYS 31 HG2 LYS 31 24.781 -21.326 -5.868
274 HG3 LYS 31 HG1 LYS 31 23.238 -22.150 -6.105
275 HD2 LYS 31 HD2 LYS 31 22.014 -20.419 -5.176
276 HD3 LYS 31 HD1 LYS 31 23.349 -19.882 -4.156
277 HE2 LYS 31 HE2 LYS 31 24.524 -19.008 -6.136
278 HE3 LYS 31 HE1 LYS 31 23.205 -19.561 -7.170
279 HZ1 LYS 31 HZ1 LYS 31 22.568 -17.827 -4.895
280 HZ2 LYS 31 HZ2 LYS 31 21.800 -17.959 -6.404
281 HZ3 LYS 31 HZ3 LYS 31 23.274 -17.124 -6.267
282 H LYS 32 HN LYS 32 23.843 -23.027 -1.225
283 HA LYS 32 HA LYS 32 23.229 -25.897 -1.318
284 HB2 LYS 32 HB2 LYS 32 24.914 -24.810 0.864
285 HB3 LYS 32 HB1 LYS 32 25.127 -26.262 -0.108
286 HG2 LYS 32 HG2 LYS 32 25.645 -23.430 -1.081
287 HG3 LYS 32 HG1 LYS 32 26.883 -24.568 -0.565
288 HD2 LYS 32 HD2 LYS 32 26.342 -26.091 -2.362
289 HD3 LYS 32 HD1 LYS 32 24.939 -25.128 -2.822
290 HE2 LYS 32 HE2 LYS 32 26.692 -24.550 -4.352
291 HE3 LYS 32 HE1 LYS 32 26.532 -23.195 -3.235
292 HZ1 LYS 32 HZ1 LYS 32 28.330 -25.164 -2.239
293 HZ2 LYS 32 HZ2 LYS 32 28.588 -23.505 -2.506
294 HZ3 LYS 32 HZ3 LYS 32 28.817 -24.618 -3.769
Start of MODEL 23
1 H1 LYS 1 HT1 LYS 1 19.537 17.655 -0.284
2 H2 LYS 1 HT2 LYS 1 20.555 16.402 0.243
3 H3 LYS 1 HT3 LYS 1 19.051 16.040 -0.459
4 HA LYS 1 HA LYS 1 19.826 17.056 -2.558
5 HB2 LYS 1 HB2 LYS 1 22.458 17.116 -2.577
6 HB3 LYS 1 HB1 LYS 1 21.558 18.507 -1.970
7 HG2 LYS 1 HG2 LYS 1 22.004 17.982 0.272
8 HG3 LYS 1 HG1 LYS 1 22.369 16.296 -0.097
9 HD2 LYS 1 HD2 LYS 1 24.418 17.622 0.411
10 HD3 LYS 1 HD1 LYS 1 24.436 16.951 -1.220
11 HE2 LYS 1 HE2 LYS 1 25.122 19.406 -1.015
12 HE3 LYS 1 HE1 LYS 1 23.862 19.053 -2.196
13 HZ1 LYS 1 HZ1 LYS 1 23.237 20.942 -0.867
14 HZ2 LYS 1 HZ2 LYS 1 23.450 20.057 0.568
15 HZ3 LYS 1 HZ3 LYS 1 22.205 19.644 -0.513
16 H LYS 2 HN LYS 2 22.730 15.442 -1.655
17 HA LYS 2 HA LYS 2 22.363 13.268 -3.372
18 HB2 LYS 2 HB2 LYS 2 24.576 13.853 -2.624
19 HB3 LYS 2 HB1 LYS 2 24.136 13.568 -0.939
20 HG2 LYS 2 HG2 LYS 2 23.968 11.225 -1.262
21 HG3 LYS 2 HG1 LYS 2 23.921 11.389 -3.019
22 HD2 LYS 2 HD2 LYS 2 26.142 10.603 -2.147
23 HD3 LYS 2 HD1 LYS 2 26.239 12.103 -3.070
24 HE2 LYS 2 HE2 LYS 2 25.856 12.213 -0.092
25 HE3 LYS 2 HE1 LYS 2 27.467 11.940 -0.756
26 HZ1 LYS 2 HZ1 LYS 2 27.519 14.163 -0.862
27 HZ2 LYS 2 HZ2 LYS 2 25.829 14.324 -0.797
28 HZ3 LYS 2 HZ3 LYS 2 26.596 13.965 -2.271
29 H HIS 3 HN HIS 3 22.749 12.728 0.106
30 HA HIS 3 HA HIS 3 20.203 11.409 0.386
31 HB2 HIS 3 HB2 HIS 3 21.585 9.709 -0.843
32 HB3 HIS 3 HB1 HIS 3 22.687 9.690 0.533
33 HD2 HIS 3 HD2 HIS 3 21.691 6.923 0.887
34 HE1 HIS 3 HE1 HIS 3 18.049 8.218 2.583
35 HE2 HIS 3 HE2 HIS 3 19.554 6.208 2.208
36 H THR 4 HN THR 4 22.114 9.663 2.311
37 HA THR 4 HA THR 4 22.089 11.667 4.493
38 HB THR 4 HB THR 4 20.403 10.006 4.948
39 HG1 THR 4 HG1 THR 4 22.059 10.607 6.591
40 HG21 THR 4 HG21 THR 4 22.239 8.281 3.585
41 HG22 THR 4 HG22 THR 4 20.586 7.939 4.093
42 HG23 THR 4 HG23 THR 4 21.927 7.609 5.185
43 H ILE 5 HN ILE 5 23.293 8.782 5.557
44 HA ILE 5 HA ILE 5 26.078 9.686 5.167
45 HB ILE 5 HB ILE 5 26.451 8.151 7.209
46 HG12 ILE 5 HG12 ILE 5 23.690 8.757 8.048
47 HG13 ILE 5 HG11 ILE 5 23.811 7.527 6.790
48 HG21 ILE 5 HG21 ILE 5 25.325 10.070 8.677
49 HG22 ILE 5 HG22 ILE 5 25.163 10.845 7.100
50 HG23 ILE 5 HG23 ILE 5 26.757 10.388 7.698
51 HD11 ILE 5 HD11 ILE 5 25.190 6.139 8.121
52 HD12 ILE 5 HD12 ILE 5 23.943 6.713 9.227
53 HD13 ILE 5 HD13 ILE 5 25.548 7.441 9.252
54 H TRP 6 HN TRP 6 23.816 7.142 4.614
55 HA TRP 6 HA TRP 6 25.296 4.856 4.421
56 HB2 TRP 6 HB2 TRP 6 22.882 5.865 3.217
57 HB3 TRP 6 HB1 TRP 6 23.792 4.922 2.038
58 HD1 TRP 6 HD1 TRP 6 22.633 2.643 2.058
59 HE1 TRP 6 HE1 TRP 6 22.076 0.889 3.857
60 HE3 TRP 6 HE3 TRP 6 23.902 5.259 6.246
61 HZ2 TRP 6 HZ2 TRP 6 22.158 0.633 6.698
62 HZ3 TRP 6 HZ3 TRP 6 23.652 4.239 8.492
63 HH2 TRP 6 HH2 TRP 6 22.782 1.928 8.724
64 H GLU 7 HN GLU 7 24.913 7.182 1.737
65 HA GLU 7 HA GLU 7 26.777 6.009 0.016
66 HB2 GLU 7 HB2 GLU 7 25.307 8.500 0.195
67 HB3 GLU 7 HB1 GLU 7 26.920 8.748 -0.476
68 HG2 GLU 7 HG2 GLU 7 25.012 6.603 -1.439
69 HG3 GLU 7 HG1 GLU 7 25.163 8.187 -2.197
70 H VAL 8 HN VAL 8 27.360 7.367 3.006
71 HA VAL 8 HA VAL 8 30.106 8.174 2.301
72 HB VAL 8 HB VAL 8 28.781 8.651 4.962
73 HG11 VAL 8 HG11 VAL 8 31.332 8.906 4.390
74 HG12 VAL 8 HG12 VAL 8 30.517 10.172 5.308
75 HG13 VAL 8 HG13 VAL 8 30.808 10.383 3.582
76 HG21 VAL 8 HG21 VAL 8 28.731 10.428 2.500
77 HG22 VAL 8 HG22 VAL 8 28.150 10.883 4.102
78 HG23 VAL 8 HG23 VAL 8 27.334 9.609 3.197
79 H ILE 9 HN ILE 9 28.220 6.040 4.392
80 HA ILE 9 HA ILE 9 30.715 4.671 5.166
81 HB ILE 9 HB ILE 9 29.851 5.351 7.184
82 HG12 ILE 9 HG12 ILE 9 29.677 2.670 6.780
83 HG13 ILE 9 HG11 ILE 9 29.332 3.448 8.313
84 HG21 ILE 9 HG21 ILE 9 27.358 5.379 7.655
85 HG22 ILE 9 HG22 ILE 9 27.128 5.064 5.933
86 HG23 ILE 9 HG23 ILE 9 27.950 6.530 6.464
87 HD11 ILE 9 HD11 ILE 9 27.161 3.010 6.257
88 HD12 ILE 9 HD12 ILE 9 26.986 3.375 7.967
89 HD13 ILE 9 HD13 ILE 9 27.572 1.794 7.458
90 H ALA 10 HN ALA 10 27.321 4.185 4.251
91 HA ALA 10 HA ALA 10 27.576 1.353 3.930
92 HB1 ALA 10 HB1 ALA 10 25.546 3.214 2.676
93 HB2 ALA 10 HB2 ALA 10 25.405 2.523 4.292
94 HB3 ALA 10 HB3 ALA 10 25.393 1.469 2.879
95 H GLY 11 HN GLY 11 26.975 3.837 1.426
96 HA2 GLY 11 HA2 GLY 11 27.628 2.296 -0.784
97 HA3 GLY 11 HA1 GLY 11 27.828 4.047 -0.711
98 H LEU 12 HN LEU 12 29.593 3.330 1.757
99 HA LEU 12 HA LEU 12 32.058 3.029 0.193
100 HB2 LEU 12 HB2 LEU 12 31.683 5.046 1.719
101 HB3 LEU 12 HB1 LEU 12 31.861 3.923 3.067
102 HG LEU 12 HG LEU 12 34.022 3.225 1.586
103 HD11 LEU 12 HD11 LEU 12 33.659 6.213 1.196
104 HD12 LEU 12 HD12 LEU 12 33.551 5.002 -0.081
105 HD13 LEU 12 HD13 LEU 12 35.084 5.276 0.745
106 HD21 LEU 12 HD21 LEU 12 33.811 5.481 3.606
107 HD22 LEU 12 HD22 LEU 12 35.319 4.696 3.141
108 HD23 LEU 12 HD23 LEU 12 34.063 3.773 3.966
109 H VAL 13 HN VAL 13 30.108 1.564 2.680
110 HA VAL 13 HA VAL 13 32.168 -0.532 3.050
111 HB VAL 13 HB VAL 13 29.938 0.273 4.933
112 HG11 VAL 13 HG11 VAL 13 31.794 -1.299 6.276
113 HG12 VAL 13 HG12 VAL 13 31.635 -2.098 4.712
114 HG13 VAL 13 HG13 VAL 13 30.209 -1.828 5.715
115 HG21 VAL 13 HG21 VAL 13 32.875 0.443 5.531
116 HG22 VAL 13 HG22 VAL 13 31.547 1.380 6.209
117 HG23 VAL 13 HG23 VAL 13 32.124 1.725 4.580
118 H ALA 14 HN ALA 14 28.623 -0.081 3.076
119 HA ALA 14 HA ALA 14 27.773 -2.669 2.902
120 HB1 ALA 14 HB1 ALA 14 25.872 -1.823 1.522
121 HB2 ALA 14 HB2 ALA 14 26.727 -0.290 1.348
122 HB3 ALA 14 HB3 ALA 14 26.193 -0.825 2.940
123 H LEU 15 HN LEU 15 28.884 -0.650 0.185
124 HA LEU 15 HA LEU 15 28.567 -2.653 -1.790
125 HB2 LEU 15 HB2 LEU 15 28.836 -0.232 -2.302
126 HB3 LEU 15 HB1 LEU 15 30.511 -0.326 -1.763
127 HG LEU 15 HG LEU 15 30.965 -2.034 -3.507
128 HD11 LEU 15 HD11 LEU 15 29.017 -3.159 -4.037
129 HD12 LEU 15 HD12 LEU 15 29.023 -1.976 -5.345
130 HD13 LEU 15 HD13 LEU 15 28.022 -1.708 -3.919
131 HD21 LEU 15 HD21 LEU 15 30.989 -0.508 -5.368
132 HD22 LEU 15 HD22 LEU 15 31.210 0.458 -3.909
133 HD23 LEU 15 HD23 LEU 15 29.636 0.410 -4.705
134 H LEU 16 HN LEU 16 31.086 -1.898 0.505
135 HA LEU 16 HA LEU 16 32.906 -3.868 -0.664
136 HB2 LEU 16 HB2 LEU 16 33.362 -2.243 1.834
137 HB3 LEU 16 HB1 LEU 16 34.565 -2.998 0.788
138 HG LEU 16 HG LEU 16 32.762 -0.667 0.084
139 HD11 LEU 16 HD11 LEU 16 34.876 -0.344 1.524
140 HD12 LEU 16 HD12 LEU 16 34.739 0.643 0.069
141 HD13 LEU 16 HD13 LEU 16 35.779 -0.780 0.074
142 HD21 LEU 16 HD21 LEU 16 34.270 -0.740 -2.035
143 HD22 LEU 16 HD22 LEU 16 32.935 -1.888 -1.926
144 HD23 LEU 16 HD23 LEU 16 34.581 -2.413 -1.571
145 H THR 17 HN THR 17 30.280 -4.013 1.239
146 HA THR 17 HA THR 17 31.344 -6.269 2.829
147 HB THR 17 HB THR 17 29.505 -4.046 3.590
148 HG1 THR 17 HG1 THR 17 30.848 -3.960 5.256
149 HG21 THR 17 HG21 THR 17 28.836 -5.571 5.561
150 HG22 THR 17 HG22 THR 17 29.317 -6.909 4.520
151 HG23 THR 17 HG23 THR 17 28.014 -5.829 4.023
152 H PHE 18 HN PHE 18 28.216 -4.939 1.739
153 HA PHE 18 HA PHE 18 26.643 -7.148 1.766
154 HB2 PHE 18 HB2 PHE 18 26.235 -4.721 0.809
155 HB3 PHE 18 HB1 PHE 18 26.587 -5.501 -0.733
156 HD1 PHE 18 HD2 PHE 18 24.490 -5.867 2.344
157 HD2 PHE 18 HD1 PHE 18 24.920 -6.736 -1.840
158 HE1 PHE 18 HE2 PHE 18 22.201 -6.822 2.308
159 HE2 PHE 18 HE1 PHE 18 22.631 -7.691 -1.878
160 HZ PHE 18 HZ PHE 18 21.272 -7.734 0.197
161 H LEU 19 HN LEU 19 28.833 -6.279 -0.916
162 HA LEU 19 HA LEU 19 28.332 -8.681 -2.383
163 HB2 LEU 19 HB2 LEU 19 30.374 -6.481 -2.548
164 HB3 LEU 19 HB1 LEU 19 30.555 -7.932 -3.531
165 HG LEU 19 HG LEU 19 29.317 -6.045 -4.672
166 HD11 LEU 19 HD11 LEU 19 27.184 -8.021 -4.561
167 HD12 LEU 19 HD12 LEU 19 28.762 -8.796 -4.679
168 HD13 LEU 19 HD13 LEU 19 28.265 -7.622 -5.894
169 HD21 LEU 19 HD21 LEU 19 28.146 -5.401 -2.484
170 HD22 LEU 19 HD22 LEU 19 27.060 -6.755 -2.792
171 HD23 LEU 19 HD23 LEU 19 27.144 -5.414 -3.934
172 H ALA 20 HN ALA 20 31.088 -7.590 -0.396
173 HA ALA 20 HA ALA 20 32.770 -9.737 -0.615
174 HB1 ALA 20 HB1 ALA 20 33.598 -9.196 1.609
175 HB2 ALA 20 HB2 ALA 20 32.119 -8.308 1.971
176 HB3 ALA 20 HB3 ALA 20 33.228 -7.706 0.740
177 H PHE 21 HN PHE 21 30.137 -9.450 1.788
178 HA PHE 21 HA PHE 21 30.422 -12.230 2.543
179 HB2 PHE 21 HB2 PHE 21 28.489 -10.060 3.367
180 HB3 PHE 21 HB1 PHE 21 28.424 -11.708 3.992
181 HD1 PHE 21 HD1 PHE 21 30.593 -8.697 3.701
182 HD2 PHE 21 HD2 PHE 21 29.938 -12.458 5.669
183 HE1 PHE 21 HE1 PHE 21 32.375 -8.151 5.336
184 HE2 PHE 21 HE2 PHE 21 31.719 -11.912 7.305
185 HZ PHE 21 HZ PHE 21 32.937 -9.759 7.138
186 H GLY 22 HN GLY 22 28.237 -10.258 0.603
187 HA2 GLY 22 HA2 GLY 22 26.130 -12.061 0.258
188 HA3 GLY 22 HA1 GLY 22 26.610 -10.844 -0.920
189 H PHE 23 HN PHE 23 29.115 -11.681 -1.644
190 HA PHE 23 HA PHE 23 28.642 -13.576 -3.608
191 HB2 PHE 23 HB2 PHE 23 30.965 -12.219 -2.504
192 HB3 PHE 23 HB1 PHE 23 31.350 -13.869 -2.997
193 HD1 PHE 23 HD2 PHE 23 30.149 -14.583 -5.311
194 HD2 PHE 23 HD1 PHE 23 31.147 -10.570 -4.147
195 HE1 PHE 23 HE2 PHE 23 30.126 -13.886 -7.690
196 HE2 PHE 23 HE1 PHE 23 31.124 -9.874 -6.525
197 HZ PHE 23 HZ PHE 23 30.613 -11.532 -8.299
198 H TRP 24 HN TRP 24 29.025 -14.019 -0.259
199 HA TRP 24 HA TRP 24 29.592 -16.889 -0.588
200 HB2 TRP 24 HB2 TRP 24 31.146 -15.882 0.925
201 HB3 TRP 24 HB1 TRP 24 29.850 -15.060 1.796
202 HD1 TRP 24 HD1 TRP 24 30.528 -18.729 0.780
203 HE1 TRP 24 HE1 TRP 24 30.006 -20.234 2.812
204 HE3 TRP 24 HE3 TRP 24 29.110 -15.182 4.147
205 HZ2 TRP 24 HZ2 TRP 24 29.104 -19.959 5.508
206 HZ3 TRP 24 HZ3 TRP 24 28.420 -15.824 6.442
207 HH2 TRP 24 HH2 TRP 24 28.416 -18.206 7.125
208 H LEU 25 HN LEU 25 27.852 -15.034 1.874
209 HA LEU 25 HA LEU 25 26.088 -16.633 2.930
210 HB2 LEU 25 HB2 LEU 25 25.778 -13.881 1.926
211 HB3 LEU 25 HB1 LEU 25 24.270 -14.729 2.279
212 HG LEU 25 HG LEU 25 26.582 -14.756 4.207
213 HD11 LEU 25 HD11 LEU 25 24.788 -12.958 5.266
214 HD12 LEU 25 HD12 LEU 25 24.747 -12.545 3.551
215 HD13 LEU 25 HD13 LEU 25 26.274 -12.514 4.431
216 HD21 LEU 25 HD21 LEU 25 25.146 -15.853 5.578
217 HD22 LEU 25 HD22 LEU 25 24.163 -16.115 4.138
218 HD23 LEU 25 HD23 LEU 25 23.821 -14.753 5.203
219 H PHE 26 HN PHE 26 25.269 -15.238 -0.254
220 HA PHE 26 HA PHE 26 23.099 -17.061 -0.618
221 HB2 PHE 26 HB2 PHE 26 24.466 -15.545 -2.829
222 HB3 PHE 26 HB1 PHE 26 22.768 -16.003 -2.698
223 HD1 PHE 26 HD1 PHE 26 21.757 -15.191 -0.250
224 HD2 PHE 26 HD2 PHE 26 24.841 -13.261 -2.534
225 HE1 PHE 26 HE1 PHE 26 21.252 -13.047 0.881
226 HE2 PHE 26 HE2 PHE 26 24.336 -11.115 -1.400
227 HZ PHE 26 HZ PHE 26 22.545 -11.011 0.309
228 H LYS 27 HN LYS 27 26.068 -16.693 -2.557
229 HA LYS 27 HA LYS 27 25.905 -19.003 -4.010
230 HB2 LYS 27 HB2 LYS 27 28.521 -18.020 -2.868
231 HB3 LYS 27 HB1 LYS 27 28.242 -18.821 -4.414
232 HG2 LYS 27 HG2 LYS 27 27.362 -16.034 -3.612
233 HG3 LYS 27 HG1 LYS 27 28.510 -16.470 -4.878
234 HD2 LYS 27 HD2 LYS 27 26.545 -17.795 -5.917
235 HD3 LYS 27 HD1 LYS 27 25.519 -16.850 -4.838
236 HE2 LYS 27 HE2 LYS 27 26.882 -14.815 -5.820
237 HE3 LYS 27 HE1 LYS 27 27.183 -15.929 -7.155
238 HZ1 LYS 27 HZ1 LYS 27 24.848 -14.474 -6.586
239 HZ2 LYS 27 HZ2 LYS 27 24.491 -16.131 -6.477
240 HZ3 LYS 27 HZ3 LYS 27 25.161 -15.496 -7.903
241 H TYR 28 HN TYR 28 26.153 -18.861 -0.640
242 HA TYR 28 HA TYR 28 27.145 -21.649 -0.533
243 HB2 TYR 28 HB2 TYR 28 28.598 -20.829 0.974
244 HB3 TYR 28 HB1 TYR 28 27.710 -19.319 1.139
245 HD1 TYR 28 HD1 TYR 28 27.361 -22.951 2.002
246 HD2 TYR 28 HD2 TYR 28 26.629 -18.881 3.155
247 HE1 TYR 28 HE1 TYR 28 26.425 -23.731 4.163
248 HE2 TYR 28 HE2 TYR 28 25.690 -19.657 5.313
249 HH TYR 28 HH TYR 28 25.988 -22.938 6.369
250 H LEU 29 HN LEU 29 24.718 -19.400 0.784
251 HA LEU 29 HA LEU 29 23.266 -21.689 1.913
252 HB2 LEU 29 HB2 LEU 29 23.726 -19.266 2.986
253 HB3 LEU 29 HB1 LEU 29 22.189 -18.938 2.185
254 HG LEU 29 HG LEU 29 22.722 -21.204 4.128
255 HD11 LEU 29 HD11 LEU 29 21.277 -18.557 4.360
256 HD12 LEU 29 HD12 LEU 29 22.597 -19.164 5.362
257 HD13 LEU 29 HD13 LEU 29 20.995 -19.891 5.480
258 HD21 LEU 29 HD21 LEU 29 21.049 -22.045 2.733
259 HD22 LEU 29 HD22 LEU 29 20.393 -20.444 2.389
260 HD23 LEU 29 HD23 LEU 29 20.091 -21.204 3.952
261 H GLN 30 HN GLN 30 22.823 -19.059 -0.417
262 HA GLN 30 HA GLN 30 20.127 -19.632 -1.063
263 HB2 GLN 30 HB2 GLN 30 21.086 -17.508 -1.655
264 HB3 GLN 30 HB1 GLN 30 22.304 -18.286 -2.657
265 HG2 GLN 30 HG2 GLN 30 20.705 -18.981 -4.261
266 HG3 GLN 30 HG1 GLN 30 19.355 -18.619 -3.182
267 HE21 GLN 30 HE21 GLN 30 20.315 -16.007 -2.284
268 HE22 GLN 30 HE22 GLN 30 20.228 -14.959 -3.614
269 H LYS 31 HN LYS 31 23.031 -21.273 -1.837
270 HA LYS 31 HA LYS 31 21.889 -22.543 -4.212
271 HB2 LYS 31 HB2 LYS 31 24.569 -22.181 -3.091
272 HB3 LYS 31 HB1 LYS 31 24.283 -23.818 -3.680
273 HG2 LYS 31 HG2 LYS 31 25.166 -22.445 -5.496
274 HG3 LYS 31 HG1 LYS 31 23.490 -22.859 -5.847
275 HD2 LYS 31 HD2 LYS 31 23.431 -20.468 -4.316
276 HD3 LYS 31 HD1 LYS 31 24.672 -20.253 -5.551
277 HE2 LYS 31 HE2 LYS 31 23.017 -21.049 -7.265
278 HE3 LYS 31 HE1 LYS 31 21.783 -21.050 -6.005
279 HZ1 LYS 31 HZ1 LYS 31 23.367 -18.708 -6.910
280 HZ2 LYS 31 HZ2 LYS 31 22.247 -18.692 -5.632
281 HZ3 LYS 31 HZ3 LYS 31 21.724 -18.988 -7.222
282 H LYS 32 HN LYS 32 21.473 -22.937 -1.021
283 HA LYS 32 HA LYS 32 21.684 -25.849 -0.946
284 HB2 LYS 32 HB2 LYS 32 20.656 -23.925 1.153
285 HB3 LYS 32 HB1 LYS 32 21.022 -25.630 1.398
286 HG2 LYS 32 HG2 LYS 32 23.063 -23.590 0.464
287 HG3 LYS 32 HG1 LYS 32 22.845 -24.045 2.151
288 HD2 LYS 32 HD2 LYS 32 24.313 -25.715 1.778
289 HD3 LYS 32 HD1 LYS 32 23.065 -26.496 0.811
290 HE2 LYS 32 HE2 LYS 32 23.885 -25.069 -1.147
291 HE3 LYS 32 HE1 LYS 32 25.276 -24.669 -0.142
292 HZ1 LYS 32 HZ1 LYS 32 26.039 -26.815 -0.176
293 HZ2 LYS 32 HZ2 LYS 32 25.362 -26.699 -1.731
294 HZ3 LYS 32 HZ3 LYS 32 24.511 -27.483 -0.486
Start of MODEL 24
1 H1 LYS 1 HT1 LYS 1 21.884 15.312 -1.225
2 H2 LYS 1 HT2 LYS 1 20.530 16.282 -1.559
3 H3 LYS 1 HT3 LYS 1 22.053 16.997 -1.330
4 HA LYS 1 HA LYS 1 20.897 16.108 -3.716
5 HB2 LYS 1 HB2 LYS 1 22.377 18.126 -3.201
6 HB3 LYS 1 HB1 LYS 1 23.745 17.013 -3.251
7 HG2 LYS 1 HG2 LYS 1 23.780 17.389 -5.480
8 HG3 LYS 1 HG1 LYS 1 22.334 16.379 -5.554
9 HD2 LYS 1 HD2 LYS 1 20.961 18.450 -5.127
10 HD3 LYS 1 HD1 LYS 1 22.441 19.396 -5.304
11 HE2 LYS 1 HE2 LYS 1 22.535 17.812 -7.540
12 HE3 LYS 1 HE1 LYS 1 20.799 18.070 -7.364
13 HZ1 LYS 1 HZ1 LYS 1 21.240 19.980 -8.420
14 HZ2 LYS 1 HZ2 LYS 1 22.893 19.952 -8.032
15 HZ3 LYS 1 HZ3 LYS 1 21.762 20.524 -6.901
16 H LYS 2 HN LYS 2 21.333 13.803 -2.100
17 HA LYS 2 HA LYS 2 22.562 12.078 -3.983
18 HB2 LYS 2 HB2 LYS 2 24.671 12.919 -3.204
19 HB3 LYS 2 HB1 LYS 2 24.176 12.759 -1.518
20 HG2 LYS 2 HG2 LYS 2 24.242 10.392 -1.602
21 HG3 LYS 2 HG1 LYS 2 24.257 10.374 -3.366
22 HD2 LYS 2 HD2 LYS 2 26.500 9.883 -2.450
23 HD3 LYS 2 HD1 LYS 2 26.501 11.390 -3.367
24 HE2 LYS 2 HE2 LYS 2 25.932 11.528 -0.433
25 HE3 LYS 2 HE1 LYS 2 27.598 11.261 -0.946
26 HZ1 LYS 2 HZ1 LYS 2 27.408 13.221 -2.375
27 HZ2 LYS 2 HZ2 LYS 2 27.159 13.607 -0.739
28 HZ3 LYS 2 HZ3 LYS 2 25.836 13.493 -1.800
29 H HIS 3 HN HIS 3 22.775 11.885 -0.446
30 HA HIS 3 HA HIS 3 20.368 10.415 -0.084
31 HB2 HIS 3 HB2 HIS 3 21.850 8.771 -1.368
32 HB3 HIS 3 HB1 HIS 3 22.853 8.712 0.081
33 HD2 HIS 3 HD2 HIS 3 21.969 6.040 0.650
34 HE1 HIS 3 HE1 HIS 3 17.981 7.131 1.503
35 HE2 HIS 3 HE2 HIS 3 19.679 5.248 1.625
36 H THR 4 HN THR 4 20.839 8.943 2.106
37 HA THR 4 HA THR 4 21.275 10.888 4.131
38 HB THR 4 HB THR 4 19.779 9.111 4.646
39 HG1 THR 4 HG1 THR 4 20.599 8.559 6.551
40 HG21 THR 4 HG21 THR 4 21.795 7.524 3.267
41 HG22 THR 4 HG22 THR 4 20.090 7.168 3.547
42 HG23 THR 4 HG23 THR 4 21.287 6.766 4.777
43 H ILE 5 HN ILE 5 22.793 8.011 5.029
44 HA ILE 5 HA ILE 5 25.472 9.235 4.736
45 HB ILE 5 HB ILE 5 25.971 7.848 6.852
46 HG12 ILE 5 HG12 ILE 5 23.174 8.221 7.687
47 HG13 ILE 5 HG11 ILE 5 23.384 6.975 6.455
48 HG21 ILE 5 HG21 ILE 5 25.998 10.216 7.015
49 HG22 ILE 5 HG22 ILE 5 24.890 9.692 8.283
50 HG23 ILE 5 HG23 ILE 5 24.255 10.332 6.767
51 HD11 ILE 5 HD11 ILE 5 25.127 7.108 8.916
52 HD12 ILE 5 HD12 ILE 5 24.927 5.760 7.798
53 HD13 ILE 5 HD13 ILE 5 23.612 6.205 8.887
54 H TRP 6 HN TRP 6 23.464 6.432 4.392
55 HA TRP 6 HA TRP 6 25.154 4.303 4.278
56 HB2 TRP 6 HB2 TRP 6 22.659 5.028 3.014
57 HB3 TRP 6 HB1 TRP 6 23.660 4.092 1.904
58 HD1 TRP 6 HD1 TRP 6 22.676 1.737 2.068
59 HE1 TRP 6 HE1 TRP 6 22.258 0.058 3.972
60 HE3 TRP 6 HE3 TRP 6 23.726 4.697 6.083
61 HZ2 TRP 6 HZ2 TRP 6 22.355 -0.018 6.824
62 HZ3 TRP 6 HZ3 TRP 6 23.555 3.800 8.388
63 HH2 TRP 6 HH2 TRP 6 22.871 1.446 8.765
64 H GLU 7 HN GLU 7 24.448 6.220 1.352
65 HA GLU 7 HA GLU 7 26.432 5.246 -0.278
66 HB2 GLU 7 HB2 GLU 7 25.032 7.865 -0.070
67 HB3 GLU 7 HB1 GLU 7 26.415 7.743 -1.156
68 HG2 GLU 7 HG2 GLU 7 24.307 5.614 -1.237
69 HG3 GLU 7 HG1 GLU 7 23.996 7.157 -2.030
70 H VAL 8 HN VAL 8 26.863 7.034 2.595
71 HA VAL 8 HA VAL 8 29.548 7.922 1.812
72 HB VAL 8 HB VAL 8 28.271 8.449 4.484
73 HG11 VAL 8 HG11 VAL 8 29.760 10.346 4.484
74 HG12 VAL 8 HG12 VAL 8 30.191 10.071 2.797
75 HG13 VAL 8 HG13 VAL 8 30.708 8.929 4.035
76 HG21 VAL 8 HG21 VAL 8 26.660 9.137 2.730
77 HG22 VAL 8 HG22 VAL 8 27.936 10.041 1.919
78 HG23 VAL 8 HG23 VAL 8 27.379 10.543 3.515
79 H ILE 9 HN ILE 9 27.910 5.792 4.116
80 HA ILE 9 HA ILE 9 30.536 4.696 4.887
81 HB ILE 9 HB ILE 9 29.647 5.429 6.878
82 HG12 ILE 9 HG12 ILE 9 29.758 2.725 6.650
83 HG13 ILE 9 HG11 ILE 9 29.367 3.561 8.139
84 HG21 ILE 9 HG21 ILE 9 27.177 5.220 7.420
85 HG22 ILE 9 HG22 ILE 9 26.944 4.767 5.728
86 HG23 ILE 9 HG23 ILE 9 27.610 6.345 6.139
87 HD11 ILE 9 HD11 ILE 9 27.036 3.212 7.875
88 HD12 ILE 9 HD12 ILE 9 27.778 1.673 7.443
89 HD13 ILE 9 HD13 ILE 9 27.208 2.758 6.184
90 H ALA 10 HN ALA 10 27.186 3.820 4.105
91 HA ALA 10 HA ALA 10 27.700 1.016 3.966
92 HB1 ALA 10 HB1 ALA 10 25.506 2.621 2.630
93 HB2 ALA 10 HB2 ALA 10 25.436 1.977 4.272
94 HB3 ALA 10 HB3 ALA 10 25.512 0.877 2.897
95 H GLY 11 HN GLY 11 26.865 3.244 1.293
96 HA2 GLY 11 HA2 GLY 11 27.645 1.611 -0.804
97 HA3 GLY 11 HA1 GLY 11 27.686 3.372 -0.863
98 H LEU 12 HN LEU 12 29.519 3.002 1.632
99 HA LEU 12 HA LEU 12 31.992 2.815 0.064
100 HB2 LEU 12 HB2 LEU 12 31.448 4.897 1.437
101 HB3 LEU 12 HB1 LEU 12 31.718 3.899 2.867
102 HG LEU 12 HG LEU 12 33.931 3.301 1.368
103 HD11 LEU 12 HD11 LEU 12 34.814 5.394 0.474
104 HD12 LEU 12 HD12 LEU 12 33.358 6.254 0.977
105 HD13 LEU 12 HD13 LEU 12 33.269 5.039 -0.298
106 HD21 LEU 12 HD21 LEU 12 35.121 4.840 2.915
107 HD22 LEU 12 HD22 LEU 12 33.899 3.886 3.756
108 HD23 LEU 12 HD23 LEU 12 33.577 5.573 3.351
109 H VAL 13 HN VAL 13 30.196 1.342 2.656
110 HA VAL 13 HA VAL 13 32.469 -0.476 3.206
111 HB VAL 13 HB VAL 13 30.081 0.224 4.926
112 HG11 VAL 13 HG11 VAL 13 30.416 -1.988 5.517
113 HG12 VAL 13 HG12 VAL 13 31.606 -1.214 6.563
114 HG13 VAL 13 HG13 VAL 13 32.116 -1.965 5.051
115 HG21 VAL 13 HG21 VAL 13 32.150 1.790 4.688
116 HG22 VAL 13 HG22 VAL 13 33.009 0.540 5.584
117 HG23 VAL 13 HG23 VAL 13 31.626 1.352 6.315
118 H ALA 14 HN ALA 14 28.903 -0.474 2.987
119 HA ALA 14 HA ALA 14 28.386 -3.154 2.965
120 HB1 ALA 14 HB1 ALA 14 26.562 -1.605 2.766
121 HB2 ALA 14 HB2 ALA 14 26.528 -2.626 1.329
122 HB3 ALA 14 HB3 ALA 14 27.177 -0.988 1.233
123 H LEU 15 HN LEU 15 29.357 -1.208 0.139
124 HA LEU 15 HA LEU 15 29.463 -3.344 -1.699
125 HB2 LEU 15 HB2 LEU 15 31.150 -0.827 -1.685
126 HB3 LEU 15 HB1 LEU 15 30.799 -1.849 -3.082
127 HG LEU 15 HG LEU 15 28.734 -0.355 -1.445
128 HD11 LEU 15 HD11 LEU 15 28.765 1.324 -3.011
129 HD12 LEU 15 HD12 LEU 15 29.203 0.230 -4.323
130 HD13 LEU 15 HD13 LEU 15 30.437 0.795 -3.197
131 HD21 LEU 15 HD21 LEU 15 27.410 -1.014 -3.648
132 HD22 LEU 15 HD22 LEU 15 27.538 -2.149 -2.304
133 HD23 LEU 15 HD23 LEU 15 28.595 -2.318 -3.705
134 H LEU 16 HN LEU 16 31.674 -2.163 0.711
135 HA LEU 16 HA LEU 16 33.778 -4.007 -0.161
136 HB2 LEU 16 HB2 LEU 16 33.892 -2.104 2.171
137 HB3 LEU 16 HB1 LEU 16 35.237 -2.817 1.277
138 HG LEU 16 HG LEU 16 33.246 -0.785 0.235
139 HD11 LEU 16 HD11 LEU 16 35.085 0.724 0.166
140 HD12 LEU 16 HD12 LEU 16 36.254 -0.572 0.422
141 HD13 LEU 16 HD13 LEU 16 35.198 -0.064 1.740
142 HD21 LEU 16 HD21 LEU 16 34.885 -0.900 -1.781
143 HD22 LEU 16 HD22 LEU 16 33.672 -2.171 -1.619
144 HD23 LEU 16 HD23 LEU 16 35.339 -2.474 -1.127
145 H THR 17 HN THR 17 31.056 -4.362 1.469
146 HA THR 17 HA THR 17 32.173 -6.455 3.194
147 HB THR 17 HB THR 17 30.380 -4.207 4.108
148 HG1 THR 17 HG1 THR 17 32.795 -5.352 5.053
149 HG21 THR 17 HG21 THR 17 30.770 -6.976 5.234
150 HG22 THR 17 HG22 THR 17 29.264 -6.098 4.971
151 HG23 THR 17 HG23 THR 17 30.347 -5.620 6.277
152 H PHE 18 HN PHE 18 28.944 -5.005 2.855
153 HA PHE 18 HA PHE 18 27.434 -7.279 2.916
154 HB2 PHE 18 HB2 PHE 18 26.738 -4.777 2.640
155 HB3 PHE 18 HB1 PHE 18 26.754 -5.144 0.917
156 HD1 PHE 18 HD2 PHE 18 25.538 -6.645 4.137
157 HD2 PHE 18 HD1 PHE 18 24.774 -5.947 -0.033
158 HE1 PHE 18 HE2 PHE 18 23.322 -7.734 4.360
159 HE2 PHE 18 HE1 PHE 18 22.558 -7.035 0.192
160 HZ PHE 18 HZ PHE 18 21.831 -7.929 2.387
161 H LEU 19 HN LEU 19 28.954 -5.849 0.032
162 HA LEU 19 HA LEU 19 28.068 -7.975 -1.704
163 HB2 LEU 19 HB2 LEU 19 29.919 -5.623 -1.985
164 HB3 LEU 19 HB1 LEU 19 29.870 -6.863 -3.233
165 HG LEU 19 HG LEU 19 28.312 -4.904 -3.625
166 HD11 LEU 19 HD11 LEU 19 26.346 -7.025 -3.371
167 HD12 LEU 19 HD12 LEU 19 27.862 -7.656 -4.009
168 HD13 LEU 19 HD13 LEU 19 27.046 -6.329 -4.831
169 HD21 LEU 19 HD21 LEU 19 26.660 -6.132 -1.415
170 HD22 LEU 19 HD22 LEU 19 26.404 -4.596 -2.244
171 HD23 LEU 19 HD23 LEU 19 27.752 -4.782 -1.127
172 H ALA 20 HN ALA 20 30.819 -7.365 0.329
173 HA ALA 20 HA ALA 20 32.616 -9.193 -0.924
174 HB1 ALA 20 HB1 ALA 20 34.055 -8.760 0.856
175 HB2 ALA 20 HB2 ALA 20 32.733 -8.537 2.003
176 HB3 ALA 20 HB3 ALA 20 33.085 -7.289 0.806
177 H PHE 21 HN PHE 21 30.518 -9.444 1.950
178 HA PHE 21 HA PHE 21 31.057 -12.297 2.155
179 HB2 PHE 21 HB2 PHE 21 29.340 -10.422 3.793
180 HB3 PHE 21 HB1 PHE 21 29.518 -12.144 4.128
181 HD1 PHE 21 HD1 PHE 21 31.286 -8.896 3.975
182 HD2 PHE 21 HD2 PHE 21 31.559 -13.045 5.054
183 HE1 PHE 21 HE1 PHE 21 33.408 -8.444 5.174
184 HE2 PHE 21 HE2 PHE 21 33.681 -12.591 6.255
185 HZ PHE 21 HZ PHE 21 34.606 -10.292 6.313
186 H GLY 22 HN GLY 22 28.542 -10.123 1.065
187 HA2 GLY 22 HA2 GLY 22 26.368 -11.894 0.954
188 HA3 GLY 22 HA1 GLY 22 26.588 -10.496 -0.093
189 H PHE 23 HN PHE 23 28.909 -11.196 -1.439
190 HA PHE 23 HA PHE 23 27.979 -12.711 -3.556
191 HB2 PHE 23 HB2 PHE 23 30.501 -11.565 -2.765
192 HB3 PHE 23 HB1 PHE 23 30.760 -13.158 -3.471
193 HD1 PHE 23 HD1 PHE 23 29.104 -13.619 -5.583
194 HD2 PHE 23 HD2 PHE 23 30.507 -9.778 -4.268
195 HE1 PHE 23 HE1 PHE 23 28.694 -12.694 -7.847
196 HE2 PHE 23 HE2 PHE 23 30.098 -8.852 -6.530
197 HZ PHE 23 HZ PHE 23 29.189 -10.311 -8.320
198 H TRP 24 HN TRP 24 28.983 -13.752 -0.475
199 HA TRP 24 HA TRP 24 29.296 -16.531 -1.403
200 HB2 TRP 24 HB2 TRP 24 31.197 -15.862 -0.120
201 HB3 TRP 24 HB1 TRP 24 30.175 -15.148 1.132
202 HD1 TRP 24 HD1 TRP 24 30.408 -18.611 -0.571
203 HE1 TRP 24 HE1 TRP 24 30.181 -20.424 1.255
204 HE3 TRP 24 HE3 TRP 24 29.856 -15.648 3.532
205 HZ2 TRP 24 HZ2 TRP 24 29.813 -20.584 4.083
206 HZ3 TRP 24 HZ3 TRP 24 29.568 -16.649 5.784
207 HH2 TRP 24 HH2 TRP 24 29.545 -19.112 6.064
208 H LEU 25 HN LEU 25 28.188 -15.002 1.605
209 HA LEU 25 HA LEU 25 26.621 -16.723 2.796
210 HB2 LEU 25 HB2 LEU 25 26.192 -13.849 2.236
211 HB3 LEU 25 HB1 LEU 25 24.806 -14.738 2.867
212 HG LEU 25 HG LEU 25 27.523 -15.014 4.132
213 HD11 LEU 25 HD11 LEU 25 25.441 -12.875 4.641
214 HD12 LEU 25 HD12 LEU 25 27.122 -12.634 4.163
215 HD13 LEU 25 HD13 LEU 25 26.742 -13.256 5.769
216 HD21 LEU 25 HD21 LEU 25 25.134 -16.316 4.545
217 HD22 LEU 25 HD22 LEU 25 25.053 -15.026 5.744
218 HD23 LEU 25 HD23 LEU 25 26.407 -16.156 5.754
219 H PHE 26 HN PHE 26 25.208 -14.850 0.092
220 HA PHE 26 HA PHE 26 22.923 -16.572 -0.055
221 HB2 PHE 26 HB2 PHE 26 23.853 -14.701 -2.227
222 HB3 PHE 26 HB1 PHE 26 22.204 -15.188 -1.829
223 HD1 PHE 26 HD2 PHE 26 21.647 -14.794 0.809
224 HD2 PHE 26 HD1 PHE 26 24.450 -12.549 -1.547
225 HE1 PHE 26 HE2 PHE 26 21.453 -12.894 2.389
226 HE2 PHE 26 HE1 PHE 26 24.256 -10.649 0.033
227 HZ PHE 26 HZ PHE 26 22.765 -10.826 2.002
228 H LYS 27 HN LYS 27 25.601 -15.996 -2.356
229 HA LYS 27 HA LYS 27 24.953 -17.991 -4.172
230 HB2 LYS 27 HB2 LYS 27 27.790 -17.244 -3.466
231 HB3 LYS 27 HB1 LYS 27 27.162 -17.778 -5.025
232 HG2 LYS 27 HG2 LYS 27 26.558 -15.157 -3.623
233 HG3 LYS 27 HG1 LYS 27 27.461 -15.377 -5.121
234 HD2 LYS 27 HD2 LYS 27 25.304 -16.499 -6.017
235 HD3 LYS 27 HD1 LYS 27 24.508 -15.742 -4.636
236 HE2 LYS 27 HE2 LYS 27 26.161 -14.243 -6.692
237 HE3 LYS 27 HE1 LYS 27 24.400 -14.331 -6.693
238 HZ1 LYS 27 HZ1 LYS 27 24.233 -12.957 -4.936
239 HZ2 LYS 27 HZ2 LYS 27 25.752 -12.413 -5.469
240 HZ3 LYS 27 HZ3 LYS 27 25.646 -13.531 -4.193
241 H TYR 28 HN TYR 28 25.656 -18.500 -0.967
242 HA TYR 28 HA TYR 28 26.562 -21.268 -1.515
243 HB2 TYR 28 HB2 TYR 28 28.364 -20.802 -0.264
244 HB3 TYR 28 HB1 TYR 28 27.698 -19.260 0.263
245 HD1 TYR 28 HD2 TYR 28 27.242 -22.938 0.783
246 HD2 TYR 28 HD1 TYR 28 27.046 -19.005 2.494
247 HE1 TYR 28 HE2 TYR 28 26.721 -23.928 3.000
248 HE2 TYR 28 HE1 TYR 28 26.525 -19.992 4.708
249 HH TYR 28 HH TYR 28 25.664 -23.282 5.096
250 H LEU 29 HN LEU 29 24.854 -19.199 0.826
251 HA LEU 29 HA LEU 29 23.502 -21.478 1.988
252 HB2 LEU 29 HB2 LEU 29 24.245 -19.201 3.098
253 HB3 LEU 29 HB1 LEU 29 22.679 -18.647 2.515
254 HG LEU 29 HG LEU 29 23.105 -21.111 4.240
255 HD11 LEU 29 HD11 LEU 29 22.138 -18.326 4.939
256 HD12 LEU 29 HD12 LEU 29 23.620 -19.096 5.505
257 HD13 LEU 29 HD13 LEU 29 22.051 -19.717 6.018
258 HD21 LEU 29 HD21 LEU 29 20.732 -19.820 2.943
259 HD22 LEU 29 HD22 LEU 29 20.519 -20.513 4.548
260 HD23 LEU 29 HD23 LEU 29 21.067 -21.529 3.218
261 H GLN 30 HN GLN 30 22.628 -18.700 -0.043
262 HA GLN 30 HA GLN 30 19.873 -19.535 -0.264
263 HB2 GLN 30 HB2 GLN 30 20.340 -17.180 -0.359
264 HB3 GLN 30 HB1 GLN 30 21.487 -17.409 -1.677
265 HG2 GLN 30 HG2 GLN 30 19.835 -17.790 -3.249
266 HG3 GLN 30 HG1 GLN 30 18.678 -18.365 -2.048
267 HE21 GLN 30 HE21 GLN 30 20.307 -15.465 -1.101
268 HE22 GLN 30 HE22 GLN 30 19.053 -14.387 -1.482
269 H LYS 31 HN LYS 31 22.730 -20.573 -1.668
270 HA LYS 31 HA LYS 31 21.308 -21.577 -4.065
271 HB2 LYS 31 HB2 LYS 31 24.043 -20.487 -3.678
272 HB3 LYS 31 HB1 LYS 31 23.876 -21.855 -4.780
273 HG2 LYS 31 HG2 LYS 31 23.626 -19.675 -5.952
274 HG3 LYS 31 HG1 LYS 31 22.164 -20.657 -6.055
275 HD2 LYS 31 HD2 LYS 31 20.965 -19.268 -4.674
276 HD3 LYS 31 HD1 LYS 31 22.382 -18.802 -3.733
277 HE2 LYS 31 HE2 LYS 31 23.171 -17.404 -5.606
278 HE3 LYS 31 HE1 LYS 31 21.760 -17.874 -6.554
279 HZ1 LYS 31 HZ1 LYS 31 20.373 -16.614 -5.296
280 HZ2 LYS 31 HZ2 LYS 31 21.789 -15.693 -5.110
281 HZ3 LYS 31 HZ3 LYS 31 21.304 -16.768 -3.888
282 H LYS 32 HN LYS 32 23.809 -22.344 -1.652
283 HA LYS 32 HA LYS 32 24.588 -24.359 -0.856
284 HB2 LYS 32 HB2 LYS 32 21.719 -24.481 -0.948
285 HB3 LYS 32 HB1 LYS 32 22.380 -26.071 -1.317
286 HG2 LYS 32 HG2 LYS 32 22.111 -25.891 1.089
287 HG3 LYS 32 HG1 LYS 32 23.832 -25.891 0.719
288 HD2 LYS 32 HD2 LYS 32 24.114 -23.791 1.506
289 HD3 LYS 32 HD1 LYS 32 22.642 -23.208 0.729
290 HE2 LYS 32 HE2 LYS 32 22.676 -23.222 3.306
291 HE3 LYS 32 HE1 LYS 32 21.272 -23.944 2.521
292 HZ1 LYS 32 HZ1 LYS 32 21.741 -25.728 3.744
293 HZ2 LYS 32 HZ2 LYS 32 23.296 -25.170 4.144
294 HZ3 LYS 32 HZ3 LYS 32 23.037 -25.997 2.682
Start of MODEL 25
1 H1 LYS 1 HT1 LYS 1 21.510 16.329 -2.993
2 H2 LYS 1 HT2 LYS 1 21.541 17.938 -2.449
3 H3 LYS 1 HT3 LYS 1 21.560 16.660 -1.330
4 HA LYS 1 HA LYS 1 23.705 17.224 -3.303
5 HB2 LYS 1 HB2 LYS 1 24.796 17.571 -0.823
6 HB3 LYS 1 HB1 LYS 1 24.178 18.888 -1.819
7 HG2 LYS 1 HG2 LYS 1 22.050 18.847 -0.702
8 HG3 LYS 1 HG1 LYS 1 22.455 17.349 0.137
9 HD2 LYS 1 HD2 LYS 1 23.975 18.411 1.572
10 HD3 LYS 1 HD1 LYS 1 24.179 19.789 0.492
11 HE2 LYS 1 HE2 LYS 1 21.612 19.138 1.967
12 HE3 LYS 1 HE1 LYS 1 22.796 20.331 2.503
13 HZ1 LYS 1 HZ1 LYS 1 20.852 20.493 0.379
14 HZ2 LYS 1 HZ2 LYS 1 22.401 21.034 -0.061
15 HZ3 LYS 1 HZ3 LYS 1 21.597 21.732 1.264
16 H LYS 2 HN LYS 2 22.636 15.468 -0.394
17 HA LYS 2 HA LYS 2 23.959 13.062 -1.342
18 HB2 LYS 2 HB2 LYS 2 25.724 14.339 -0.075
19 HB3 LYS 2 HB1 LYS 2 24.706 14.210 1.355
20 HG2 LYS 2 HG2 LYS 2 26.309 12.403 1.434
21 HG3 LYS 2 HG1 LYS 2 24.731 11.708 1.074
22 HD2 LYS 2 HD2 LYS 2 25.415 10.950 -0.946
23 HD3 LYS 2 HD1 LYS 2 26.205 12.476 -1.345
24 HE2 LYS 2 HE2 LYS 2 27.357 10.388 0.522
25 HE3 LYS 2 HE1 LYS 2 27.814 10.577 -1.171
26 HZ1 LYS 2 HZ1 LYS 2 29.200 12.183 -0.595
27 HZ2 LYS 2 HZ2 LYS 2 28.794 11.966 1.039
28 HZ3 LYS 2 HZ3 LYS 2 27.935 13.080 0.087
29 H HIS 3 HN HIS 3 22.689 11.391 -0.920
30 HA HIS 3 HA HIS 3 20.209 11.399 0.165
31 HB2 HIS 3 HB2 HIS 3 20.954 9.423 -0.919
32 HB3 HIS 3 HB1 HIS 3 22.302 9.227 0.201
33 HD2 HIS 3 HD2 HIS 3 21.282 6.714 1.106
34 HE1 HIS 3 HE1 HIS 3 17.829 8.315 2.929
35 HE2 HIS 3 HE2 HIS 3 19.240 6.223 2.659
36 H THR 4 HN THR 4 22.939 10.093 2.046
37 HA THR 4 HA THR 4 22.362 11.661 4.367
38 HB THR 4 HB THR 4 20.472 10.150 4.593
39 HG1 THR 4 HG1 THR 4 21.827 8.873 6.462
40 HG21 THR 4 HG21 THR 4 22.102 7.721 4.951
41 HG22 THR 4 HG22 THR 4 22.025 8.305 3.294
42 HG23 THR 4 HG23 THR 4 20.544 7.924 4.166
43 H ILE 5 HN ILE 5 23.197 8.902 5.762
44 HA ILE 5 HA ILE 5 26.051 9.518 5.561
45 HB ILE 5 HB ILE 5 26.133 7.775 7.464
46 HG12 ILE 5 HG12 ILE 5 23.322 8.471 8.046
47 HG13 ILE 5 HG11 ILE 5 23.547 7.326 6.723
48 HG21 ILE 5 HG21 ILE 5 25.112 9.559 9.055
49 HG22 ILE 5 HG22 ILE 5 24.856 10.501 7.586
50 HG23 ILE 5 HG23 ILE 5 26.488 10.027 8.056
51 HD11 ILE 5 HD11 ILE 5 24.770 7.049 9.478
52 HD12 ILE 5 HD12 ILE 5 24.912 5.892 8.154
53 HD13 ILE 5 HD13 ILE 5 23.343 6.177 8.912
54 H TRP 6 HN TRP 6 23.745 7.003 4.788
55 HA TRP 6 HA TRP 6 25.207 4.748 4.431
56 HB2 TRP 6 HB2 TRP 6 22.835 5.874 3.239
57 HB3 TRP 6 HB1 TRP 6 23.762 4.989 2.028
58 HD1 TRP 6 HD1 TRP 6 22.550 2.745 1.876
59 HE1 TRP 6 HE1 TRP 6 21.922 0.887 3.542
60 HE3 TRP 6 HE3 TRP 6 23.787 5.049 6.253
61 HZ2 TRP 6 HZ2 TRP 6 21.944 0.439 6.362
62 HZ3 TRP 6 HZ3 TRP 6 23.475 3.886 8.419
63 HH2 TRP 6 HH2 TRP 6 22.554 1.584 8.480
64 H GLU 7 HN GLU 7 24.745 6.947 1.665
65 HA GLU 7 HA GLU 7 26.713 5.968 0.023
66 HB2 GLU 7 HB2 GLU 7 25.581 8.711 0.412
67 HB3 GLU 7 HB1 GLU 7 26.899 8.459 -0.731
68 HG2 GLU 7 HG2 GLU 7 24.467 8.249 -1.611
69 HG3 GLU 7 HG1 GLU 7 25.625 7.003 -2.069
70 H VAL 8 HN VAL 8 27.194 7.403 3.055
71 HA VAL 8 HA VAL 8 29.959 8.178 2.422
72 HB VAL 8 HB VAL 8 28.694 8.581 5.111
73 HG11 VAL 8 HG11 VAL 8 30.412 10.544 3.659
74 HG12 VAL 8 HG12 VAL 8 31.173 9.070 4.258
75 HG13 VAL 8 HG13 VAL 8 30.356 10.158 5.379
76 HG21 VAL 8 HG21 VAL 8 28.314 10.338 2.662
77 HG22 VAL 8 HG22 VAL 8 27.821 10.755 4.302
78 HG23 VAL 8 HG23 VAL 8 27.041 9.415 3.463
79 H ILE 9 HN ILE 9 28.068 5.988 4.455
80 HA ILE 9 HA ILE 9 30.572 4.631 5.229
81 HB ILE 9 HB ILE 9 29.714 5.212 7.262
82 HG12 ILE 9 HG12 ILE 9 29.437 2.558 6.786
83 HG13 ILE 9 HG11 ILE 9 29.078 3.306 8.328
84 HG21 ILE 9 HG21 ILE 9 27.216 5.324 7.710
85 HG22 ILE 9 HG22 ILE 9 26.998 5.098 5.972
86 HG23 ILE 9 HG23 ILE 9 27.876 6.500 6.580
87 HD11 ILE 9 HD11 ILE 9 26.945 3.029 6.209
88 HD12 ILE 9 HD12 ILE 9 26.746 3.324 7.930
89 HD13 ILE 9 HD13 ILE 9 27.282 1.744 7.361
90 H ALA 10 HN ALA 10 27.209 4.134 4.239
91 HA ALA 10 HA ALA 10 27.476 1.310 3.877
92 HB1 ALA 10 HB1 ALA 10 25.487 3.224 2.633
93 HB2 ALA 10 HB2 ALA 10 25.290 2.422 4.191
94 HB3 ALA 10 HB3 ALA 10 25.333 1.469 2.710
95 H GLY 11 HN GLY 11 26.933 3.819 1.387
96 HA2 GLY 11 HA2 GLY 11 27.670 2.313 -0.820
97 HA3 GLY 11 HA1 GLY 11 27.852 4.066 -0.720
98 H LEU 12 HN LEU 12 29.544 3.345 1.793
99 HA LEU 12 HA LEU 12 32.061 3.089 0.306
100 HB2 LEU 12 HB2 LEU 12 31.607 5.071 1.863
101 HB3 LEU 12 HB1 LEU 12 31.767 3.920 3.190
102 HG LEU 12 HG LEU 12 33.984 3.273 1.819
103 HD11 LEU 12 HD11 LEU 12 33.534 4.957 0.058
104 HD12 LEU 12 HD12 LEU 12 35.030 5.311 0.924
105 HD13 LEU 12 HD13 LEU 12 33.567 6.229 1.279
106 HD21 LEU 12 HD21 LEU 12 33.677 5.623 3.717
107 HD22 LEU 12 HD22 LEU 12 35.204 4.820 3.350
108 HD23 LEU 12 HD23 LEU 12 33.920 3.937 4.177
109 H VAL 13 HN VAL 13 30.040 1.555 2.689
110 HA VAL 13 HA VAL 13 32.106 -0.531 3.092
111 HB VAL 13 HB VAL 13 29.808 0.222 4.914
112 HG11 VAL 13 HG11 VAL 13 30.072 -1.882 5.688
113 HG12 VAL 13 HG12 VAL 13 31.656 -1.369 6.269
114 HG13 VAL 13 HG13 VAL 13 31.502 -2.140 4.690
115 HG21 VAL 13 HG21 VAL 13 31.357 1.329 6.254
116 HG22 VAL 13 HG22 VAL 13 32.012 1.684 4.655
117 HG23 VAL 13 HG23 VAL 13 32.716 0.396 5.631
118 H ALA 14 HN ALA 14 28.555 -0.118 3.033
119 HA ALA 14 HA ALA 14 27.741 -2.709 2.770
120 HB1 ALA 14 HB1 ALA 14 26.181 -0.808 2.805
121 HB2 ALA 14 HB2 ALA 14 25.839 -1.874 1.443
122 HB3 ALA 14 HB3 ALA 14 26.693 -0.352 1.180
123 H LEU 15 HN LEU 15 28.884 -0.606 0.130
124 HA LEU 15 HA LEU 15 28.652 -2.569 -1.900
125 HB2 LEU 15 HB2 LEU 15 28.879 -0.132 -2.351
126 HB3 LEU 15 HB1 LEU 15 30.540 -0.199 -1.769
127 HG LEU 15 HG LEU 15 31.082 -1.853 -3.539
128 HD11 LEU 15 HD11 LEU 15 29.177 -3.014 -4.142
129 HD12 LEU 15 HD12 LEU 15 29.191 -1.805 -5.426
130 HD13 LEU 15 HD13 LEU 15 28.144 -1.589 -4.024
131 HD21 LEU 15 HD21 LEU 15 31.667 -0.011 -4.692
132 HD22 LEU 15 HD22 LEU 15 30.400 0.920 -3.890
133 HD23 LEU 15 HD23 LEU 15 30.042 0.043 -5.378
134 H LEU 16 HN LEU 16 31.097 -1.818 0.473
135 HA LEU 16 HA LEU 16 32.977 -3.734 -0.696
136 HB2 LEU 16 HB2 LEU 16 33.369 -2.129 1.826
137 HB3 LEU 16 HB1 LEU 16 34.602 -2.846 0.786
138 HG LEU 16 HG LEU 16 32.766 -0.537 0.095
139 HD11 LEU 16 HD11 LEU 16 35.782 -0.584 0.067
140 HD12 LEU 16 HD12 LEU 16 34.894 -0.236 1.550
141 HD13 LEU 16 HD13 LEU 16 34.704 0.810 0.143
142 HD21 LEU 16 HD21 LEU 16 32.968 -1.735 -1.926
143 HD22 LEU 16 HD22 LEU 16 34.623 -2.232 -1.571
144 HD23 LEU 16 HD23 LEU 16 34.280 -0.559 -2.017
145 H THR 17 HN THR 17 30.313 -4.004 1.091
146 HA THR 17 HA THR 17 31.399 -6.230 2.704
147 HB THR 17 HB THR 17 29.479 -4.070 3.456
148 HG1 THR 17 HG1 THR 17 30.840 -3.888 5.072
149 HG21 THR 17 HG21 THR 17 29.398 -6.947 4.354
150 HG22 THR 17 HG22 THR 17 28.056 -5.908 3.870
151 HG23 THR 17 HG23 THR 17 28.863 -5.643 5.414
152 H PHE 18 HN PHE 18 28.276 -4.952 1.541
153 HA PHE 18 HA PHE 18 26.727 -7.171 1.529
154 HB2 PHE 18 HB2 PHE 18 26.308 -4.768 0.549
155 HB3 PHE 18 HB1 PHE 18 26.757 -5.529 -0.978
156 HD1 PHE 18 HD2 PHE 18 24.489 -5.914 1.968
157 HD2 PHE 18 HD1 PHE 18 25.200 -6.846 -2.164
158 HE1 PHE 18 HE2 PHE 18 22.227 -6.917 1.806
159 HE2 PHE 18 HE1 PHE 18 22.938 -7.849 -2.326
160 HZ PHE 18 HZ PHE 18 21.451 -7.885 -0.342
161 H LEU 19 HN LEU 19 29.000 -6.312 -1.087
162 HA LEU 19 HA LEU 19 28.563 -8.695 -2.582
163 HB2 LEU 19 HB2 LEU 19 30.683 -6.561 -2.587
164 HB3 LEU 19 HB1 LEU 19 30.859 -7.997 -3.591
165 HG LEU 19 HG LEU 19 29.757 -6.036 -4.749
166 HD11 LEU 19 HD11 LEU 19 28.714 -7.541 -6.066
167 HD12 LEU 19 HD12 LEU 19 27.550 -7.932 -4.801
168 HD13 LEU 19 HD13 LEU 19 29.103 -8.763 -4.856
169 HD21 LEU 19 HD21 LEU 19 27.565 -5.347 -4.113
170 HD22 LEU 19 HD22 LEU 19 28.494 -5.395 -2.615
171 HD23 LEU 19 HD23 LEU 19 27.381 -6.708 -3.005
172 H ALA 20 HN ALA 20 31.346 -7.687 -0.575
173 HA ALA 20 HA ALA 20 32.887 -9.933 -0.667
174 HB1 ALA 20 HB1 ALA 20 33.649 -8.075 0.617
175 HB2 ALA 20 HB2 ALA 20 33.487 -9.420 1.747
176 HB3 ALA 20 HB3 ALA 20 32.254 -8.161 1.693
177 H PHE 21 HN PHE 21 30.260 -9.419 1.705
178 HA PHE 21 HA PHE 21 30.367 -12.154 2.597
179 HB2 PHE 21 HB2 PHE 21 28.470 -9.870 3.147
180 HB3 PHE 21 HB1 PHE 21 28.266 -11.476 3.847
181 HD1 PHE 21 HD1 PHE 21 30.811 -8.758 3.443
182 HD2 PHE 21 HD2 PHE 21 29.400 -12.044 5.820
183 HE1 PHE 21 HE1 PHE 21 32.481 -8.209 5.191
184 HE2 PHE 21 HE2 PHE 21 31.069 -11.495 7.570
185 HZ PHE 21 HZ PHE 21 32.610 -9.577 7.254
186 H GLY 22 HN GLY 22 28.227 -10.233 0.524
187 HA2 GLY 22 HA2 GLY 22 26.167 -12.053 0.118
188 HA3 GLY 22 HA1 GLY 22 26.704 -10.878 -1.080
189 H PHE 23 HN PHE 23 29.165 -11.692 -1.783
190 HA PHE 23 HA PHE 23 28.802 -13.646 -3.667
191 HB2 PHE 23 HB2 PHE 23 31.063 -12.271 -2.507
192 HB3 PHE 23 HB1 PHE 23 31.474 -13.951 -2.853
193 HD1 PHE 23 HD2 PHE 23 30.401 -14.819 -5.189
194 HD2 PHE 23 HD1 PHE 23 31.408 -10.751 -4.244
195 HE1 PHE 23 HE2 PHE 23 30.557 -14.295 -7.609
196 HE2 PHE 23 HE1 PHE 23 31.564 -10.228 -6.662
197 HZ PHE 23 HZ PHE 23 31.139 -12.001 -8.344
198 H TRP 24 HN TRP 24 29.118 -14.034 -0.278
199 HA TRP 24 HA TRP 24 29.596 -16.925 -0.560
200 HB2 TRP 24 HB2 TRP 24 31.148 -15.932 0.969
201 HB3 TRP 24 HB1 TRP 24 29.859 -15.062 1.801
202 HD1 TRP 24 HD1 TRP 24 30.522 -18.756 0.879
203 HE1 TRP 24 HE1 TRP 24 29.901 -20.219 2.913
204 HE3 TRP 24 HE3 TRP 24 28.990 -15.138 4.116
205 HZ2 TRP 24 HZ2 TRP 24 28.889 -19.887 5.563
206 HZ3 TRP 24 HZ3 TRP 24 28.199 -15.731 6.393
207 HH2 TRP 24 HH2 TRP 24 28.148 -18.101 7.119
208 H LEU 25 HN LEU 25 27.846 -14.932 1.791
209 HA LEU 25 HA LEU 25 26.028 -16.446 2.889
210 HB2 LEU 25 HB2 LEU 25 25.783 -13.737 1.730
211 HB3 LEU 25 HB1 LEU 25 24.270 -14.534 2.163
212 HG LEU 25 HG LEU 25 26.614 -14.484 4.058
213 HD11 LEU 25 HD11 LEU 25 25.649 -12.490 5.106
214 HD12 LEU 25 HD12 LEU 25 24.378 -12.441 3.884
215 HD13 LEU 25 HD13 LEU 25 26.055 -12.144 3.427
216 HD21 LEU 25 HD21 LEU 25 25.171 -15.445 5.520
217 HD22 LEU 25 HD22 LEU 25 24.163 -15.783 4.114
218 HD23 LEU 25 HD23 LEU 25 23.867 -14.341 5.084
219 H PHE 26 HN PHE 26 25.268 -15.145 -0.360
220 HA PHE 26 HA PHE 26 23.056 -16.931 -0.675
221 HB2 PHE 26 HB2 PHE 26 24.467 -15.503 -2.920
222 HB3 PHE 26 HB1 PHE 26 22.761 -15.935 -2.794
223 HD1 PHE 26 HD1 PHE 26 21.706 -15.040 -0.415
224 HD2 PHE 26 HD2 PHE 26 24.907 -13.229 -2.634
225 HE1 PHE 26 HE1 PHE 26 21.221 -12.864 0.662
226 HE2 PHE 26 HE2 PHE 26 24.421 -11.051 -1.556
227 HZ PHE 26 HZ PHE 26 22.584 -10.871 0.095
228 H LYS 27 HN LYS 27 26.159 -16.726 -2.433
229 HA LYS 27 HA LYS 27 25.912 -19.050 -3.915
230 HB2 LYS 27 HB2 LYS 27 28.527 -18.092 -2.749
231 HB3 LYS 27 HB1 LYS 27 28.266 -18.945 -4.269
232 HG2 LYS 27 HG2 LYS 27 27.379 -16.123 -3.599
233 HG3 LYS 27 HG1 LYS 27 28.611 -16.597 -4.768
234 HD2 LYS 27 HD2 LYS 27 26.700 -17.972 -5.875
235 HD3 LYS 27 HD1 LYS 27 25.627 -16.937 -4.933
236 HE2 LYS 27 HE2 LYS 27 27.299 -15.067 -5.967
237 HE3 LYS 27 HE1 LYS 27 27.332 -16.265 -7.263
238 HZ1 LYS 27 HZ1 LYS 27 25.268 -15.755 -7.851
239 HZ2 LYS 27 HZ2 LYS 27 25.386 -14.397 -6.835
240 HZ3 LYS 27 HZ3 LYS 27 24.696 -15.838 -6.256
241 H TYR 28 HN TYR 28 25.919 -18.909 -0.584
242 HA TYR 28 HA TYR 28 26.893 -21.703 -0.382
243 HB2 TYR 28 HB2 TYR 28 28.388 -20.921 1.099
244 HB3 TYR 28 HB1 TYR 28 27.607 -19.345 1.174
245 HD1 TYR 28 HD1 TYR 28 27.038 -22.886 2.261
246 HD2 TYR 28 HD2 TYR 28 26.549 -18.715 3.157
247 HE1 TYR 28 HE1 TYR 28 26.072 -23.475 4.471
248 HE2 TYR 28 HE2 TYR 28 25.582 -19.301 5.364
249 HH TYR 28 HH TYR 28 25.352 -22.694 6.427
250 H LEU 29 HN LEU 29 24.672 -19.299 1.028
251 HA LEU 29 HA LEU 29 23.112 -21.410 2.286
252 HB2 LEU 29 HB2 LEU 29 23.632 -18.915 3.096
253 HB3 LEU 29 HB1 LEU 29 22.144 -18.593 2.208
254 HG LEU 29 HG LEU 29 22.462 -20.678 4.390
255 HD11 LEU 29 HD11 LEU 29 20.910 -19.110 5.627
256 HD12 LEU 29 HD12 LEU 29 21.215 -17.920 4.361
257 HD13 LEU 29 HD13 LEU 29 22.541 -18.487 5.378
258 HD21 LEU 29 HD21 LEU 29 19.827 -20.390 4.163
259 HD22 LEU 29 HD22 LEU 29 20.703 -21.504 3.117
260 HD23 LEU 29 HD23 LEU 29 20.247 -19.910 2.520
261 H GLN 30 HN GLN 30 22.787 -19.108 -0.372
262 HA GLN 30 HA GLN 30 20.084 -19.964 -0.977
263 HB2 GLN 30 HB2 GLN 30 20.610 -17.666 -1.403
264 HB3 GLN 30 HB1 GLN 30 22.015 -18.108 -2.370
265 HG2 GLN 30 HG2 GLN 30 20.727 -18.865 -4.157
266 HG3 GLN 30 HG1 GLN 30 19.297 -19.104 -3.154
267 HE21 GLN 30 HE21 GLN 30 20.819 -16.125 -2.412
268 HE22 GLN 30 HE22 GLN 30 19.816 -15.122 -3.343
269 H LYS 31 HN LYS 31 23.112 -21.251 -1.533
270 HA LYS 31 HA LYS 31 22.212 -22.620 -4.001
271 HB2 LYS 31 HB2 LYS 31 24.843 -21.539 -3.152
272 HB3 LYS 31 HB1 LYS 31 24.860 -23.075 -4.019
273 HG2 LYS 31 HG2 LYS 31 25.018 -21.097 -5.542
274 HG3 LYS 31 HG1 LYS 31 23.604 -22.101 -5.863
275 HD2 LYS 31 HD2 LYS 31 22.126 -20.529 -5.041
276 HD3 LYS 31 HD1 LYS 31 23.304 -19.858 -3.911
277 HE2 LYS 31 HE2 LYS 31 24.517 -18.819 -5.787
278 HE3 LYS 31 HE1 LYS 31 23.355 -19.501 -6.923
279 HZ1 LYS 31 HZ1 LYS 31 22.675 -17.639 -4.713
280 HZ2 LYS 31 HZ2 LYS 31 21.606 -18.243 -5.887
281 HZ3 LYS 31 HZ3 LYS 31 22.860 -17.187 -6.337
282 H LYS 32 HN LYS 32 21.983 -23.205 -0.951
283 HA LYS 32 HA LYS 32 23.353 -25.800 -0.869
284 HB2 LYS 32 HB2 LYS 32 22.676 -25.857 1.485
285 HB3 LYS 32 HB1 LYS 32 23.502 -24.342 1.117
286 HG2 LYS 32 HG2 LYS 32 21.701 -23.326 2.033
287 HG3 LYS 32 HG1 LYS 32 20.861 -23.754 0.542
288 HD2 LYS 32 HD2 LYS 32 20.267 -25.963 1.615
289 HD3 LYS 32 HD1 LYS 32 20.919 -25.330 3.128
290 HE2 LYS 32 HE2 LYS 32 19.226 -23.306 2.185
291 HE3 LYS 32 HE1 LYS 32 18.346 -24.804 1.877
292 HZ1 LYS 32 HZ1 LYS 32 19.223 -23.649 4.420
293 HZ2 LYS 32 HZ2 LYS 32 19.173 -25.342 4.289
294 HZ3 LYS 32 HZ3 LYS 32 17.767 -24.425 4.031
Start of MODEL 26
1 H1 LYS 1 HT1 LYS 1 27.572 17.622 -0.523
2 H2 LYS 1 HT2 LYS 1 27.635 18.957 0.526
3 H3 LYS 1 HT3 LYS 1 26.900 19.105 -0.998
4 HA LYS 1 HA LYS 1 25.925 17.643 1.379
5 HB2 LYS 1 HB2 LYS 1 25.303 20.001 1.212
6 HB3 LYS 1 HB1 LYS 1 24.747 19.761 -0.445
7 HG2 LYS 1 HG2 LYS 1 22.796 18.785 0.213
8 HG3 LYS 1 HG1 LYS 1 23.565 17.921 1.544
9 HD2 LYS 1 HD2 LYS 1 23.540 19.876 2.940
10 HD3 LYS 1 HD1 LYS 1 23.058 20.905 1.591
11 HE2 LYS 1 HE2 LYS 1 21.176 20.264 3.167
12 HE3 LYS 1 HE1 LYS 1 20.890 19.870 1.471
13 HZ1 LYS 1 HZ1 LYS 1 20.482 18.100 3.303
14 HZ2 LYS 1 HZ2 LYS 1 22.163 17.882 3.221
15 HZ3 LYS 1 HZ3 LYS 1 21.205 17.644 1.838
16 H LYS 2 HN LYS 2 25.669 15.553 0.737
17 HA LYS 2 HA LYS 2 23.818 15.081 -1.496
18 HB2 LYS 2 HB2 LYS 2 25.268 13.104 -2.166
19 HB3 LYS 2 HB1 LYS 2 25.918 14.696 -2.558
20 HG2 LYS 2 HG2 LYS 2 27.712 14.372 -1.231
21 HG3 LYS 2 HG1 LYS 2 26.692 13.885 0.123
22 HD2 LYS 2 HD2 LYS 2 26.526 11.612 -0.799
23 HD3 LYS 2 HD1 LYS 2 27.511 12.091 -2.182
24 HE2 LYS 2 HE2 LYS 2 28.376 12.044 0.723
25 HE3 LYS 2 HE1 LYS 2 28.941 10.977 -0.562
26 HZ1 LYS 2 HZ1 LYS 2 29.348 13.911 -0.388
27 HZ2 LYS 2 HZ2 LYS 2 29.784 12.960 -1.725
28 HZ3 LYS 2 HZ3 LYS 2 30.535 12.712 -0.222
29 H HIS 3 HN HIS 3 22.305 13.598 -1.019
30 HA HIS 3 HA HIS 3 21.018 12.275 0.381
31 HB2 HIS 3 HB2 HIS 3 22.587 10.718 -0.873
32 HB3 HIS 3 HB1 HIS 3 23.573 10.680 0.589
33 HD2 HIS 3 HD2 HIS 3 22.689 7.869 0.761
34 HE1 HIS 3 HE1 HIS 3 18.845 8.918 2.154
35 HE2 HIS 3 HE2 HIS 3 20.482 7.000 1.853
36 H THR 4 HN THR 4 22.968 10.591 2.298
37 HA THR 4 HA THR 4 22.986 12.591 4.478
38 HB THR 4 HB THR 4 21.115 11.167 4.939
39 HG1 THR 4 HG1 THR 4 22.924 9.794 6.488
40 HG21 THR 4 HG21 THR 4 22.243 8.582 5.187
41 HG22 THR 4 HG22 THR 4 22.748 9.198 3.613
42 HG23 THR 4 HG23 THR 4 21.035 9.119 4.024
43 H ILE 5 HN ILE 5 23.819 9.537 5.521
44 HA ILE 5 HA ILE 5 26.700 10.139 5.245
45 HB ILE 5 HB ILE 5 26.842 8.587 7.298
46 HG12 ILE 5 HG12 ILE 5 24.140 9.474 8.066
47 HG13 ILE 5 HG11 ILE 5 24.156 8.256 6.791
48 HG21 ILE 5 HG21 ILE 5 26.158 10.524 8.805
49 HG22 ILE 5 HG22 ILE 5 25.612 11.351 7.345
50 HG23 ILE 5 HG23 ILE 5 27.314 10.923 7.533
51 HD11 ILE 5 HD11 ILE 5 24.133 7.382 9.202
52 HD12 ILE 5 HD12 ILE 5 25.798 7.955 9.305
53 HD13 ILE 5 HD13 ILE 5 25.364 6.713 8.131
54 H TRP 6 HN TRP 6 24.174 7.862 4.654
55 HA TRP 6 HA TRP 6 25.405 5.426 4.495
56 HB2 TRP 6 HB2 TRP 6 23.118 6.681 3.270
57 HB3 TRP 6 HB1 TRP 6 23.932 5.643 2.099
58 HD1 TRP 6 HD1 TRP 6 22.536 3.504 2.111
59 HE1 TRP 6 HE1 TRP 6 21.780 1.821 3.906
60 HE3 TRP 6 HE3 TRP 6 24.047 5.972 6.309
61 HZ2 TRP 6 HZ2 TRP 6 21.813 1.559 6.748
62 HZ3 TRP 6 HZ3 TRP 6 23.675 4.985 8.553
63 HH2 TRP 6 HH2 TRP 6 22.560 2.782 8.778
64 H GLU 7 HN GLU 7 25.317 7.799 1.827
65 HA GLU 7 HA GLU 7 27.047 6.418 0.109
66 HB2 GLU 7 HB2 GLU 7 25.792 9.000 0.236
67 HB3 GLU 7 HB1 GLU 7 27.459 9.170 -0.317
68 HG2 GLU 7 HG2 GLU 7 25.480 7.185 -1.465
69 HG3 GLU 7 HG1 GLU 7 25.829 8.757 -2.179
70 H VAL 8 HN VAL 8 27.750 7.676 3.104
71 HA VAL 8 HA VAL 8 30.573 8.196 2.425
72 HB VAL 8 HB VAL 8 29.273 8.823 5.069
73 HG11 VAL 8 HG11 VAL 8 31.196 9.998 5.503
74 HG12 VAL 8 HG12 VAL 8 31.436 10.435 3.812
75 HG13 VAL 8 HG13 VAL 8 31.871 8.821 4.376
76 HG21 VAL 8 HG21 VAL 8 29.453 10.585 2.603
77 HG22 VAL 8 HG22 VAL 8 28.908 11.110 4.196
78 HG23 VAL 8 HG23 VAL 8 27.964 9.931 3.285
79 H ILE 9 HN ILE 9 28.445 6.307 4.522
80 HA ILE 9 HA ILE 9 30.764 4.673 5.323
81 HB ILE 9 HB ILE 9 29.955 5.451 7.327
82 HG12 ILE 9 HG12 ILE 9 29.496 2.805 6.931
83 HG13 ILE 9 HG11 ILE 9 29.216 3.621 8.454
84 HG21 ILE 9 HG21 ILE 9 27.233 5.460 6.041
85 HG22 ILE 9 HG22 ILE 9 28.202 6.829 6.583
86 HG23 ILE 9 HG23 ILE 9 27.473 5.752 7.765
87 HD11 ILE 9 HD11 ILE 9 27.297 2.164 7.577
88 HD12 ILE 9 HD12 ILE 9 27.039 3.415 6.369
89 HD13 ILE 9 HD13 ILE 9 26.880 3.800 8.078
90 H ALA 10 HN ALA 10 27.350 4.552 4.357
91 HA ALA 10 HA ALA 10 27.315 1.706 4.044
92 HB1 ALA 10 HB1 ALA 10 25.271 3.095 4.380
93 HB2 ALA 10 HB2 ALA 10 25.168 2.038 2.973
94 HB3 ALA 10 HB3 ALA 10 25.499 3.756 2.761
95 H GLY 11 HN GLY 11 27.001 4.235 1.531
96 HA2 GLY 11 HA2 GLY 11 27.536 2.633 -0.669
97 HA3 GLY 11 HA1 GLY 11 27.909 4.355 -0.591
98 H LEU 12 HN LEU 12 29.543 3.475 1.910
99 HA LEU 12 HA LEU 12 32.004 2.942 0.403
100 HB2 LEU 12 HB2 LEU 12 31.791 4.962 1.950
101 HB3 LEU 12 HB1 LEU 12 31.806 3.809 3.287
102 HG LEU 12 HG LEU 12 33.937 2.921 1.849
103 HD11 LEU 12 HD11 LEU 12 34.096 5.934 1.658
104 HD12 LEU 12 HD12 LEU 12 33.559 4.935 0.308
105 HD13 LEU 12 HD13 LEU 12 35.189 4.741 0.954
106 HD21 LEU 12 HD21 LEU 12 35.319 4.146 3.511
107 HD22 LEU 12 HD22 LEU 12 33.904 3.406 4.260
108 HD23 LEU 12 HD23 LEU 12 33.920 5.137 3.924
109 H VAL 13 HN VAL 13 29.861 1.639 2.829
110 HA VAL 13 HA VAL 13 31.723 -0.622 3.263
111 HB VAL 13 HB VAL 13 29.431 0.364 4.975
112 HG11 VAL 13 HG11 VAL 13 30.685 -1.457 6.501
113 HG12 VAL 13 HG12 VAL 13 30.997 -2.171 4.918
114 HG13 VAL 13 HG13 VAL 13 29.339 -1.886 5.445
115 HG21 VAL 13 HG21 VAL 13 31.072 1.141 6.459
116 HG22 VAL 13 HG22 VAL 13 31.794 1.515 4.895
117 HG23 VAL 13 HG23 VAL 13 32.315 0.088 5.789
118 H ALA 14 HN ALA 14 28.231 0.079 2.923
119 HA ALA 14 HA ALA 14 27.229 -2.449 2.666
120 HB1 ALA 14 HB1 ALA 14 25.908 -0.322 2.478
121 HB2 ALA 14 HB2 ALA 14 25.470 -1.550 1.289
122 HB3 ALA 14 HB3 ALA 14 26.475 -0.181 0.814
123 H LEU 15 HN LEU 15 28.591 -0.513 -0.018
124 HA LEU 15 HA LEU 15 28.426 -2.524 -1.966
125 HB2 LEU 15 HB2 LEU 15 28.922 -0.156 -2.485
126 HB3 LEU 15 HB1 LEU 15 30.497 -0.323 -1.712
127 HG LEU 15 HG LEU 15 31.119 -2.066 -3.357
128 HD11 LEU 15 HD11 LEU 15 29.452 -2.018 -5.433
129 HD12 LEU 15 HD12 LEU 15 28.273 -1.648 -4.176
130 HD13 LEU 15 HD13 LEU 15 29.206 -3.142 -4.095
131 HD21 LEU 15 HD21 LEU 15 30.250 -0.073 -5.278
132 HD22 LEU 15 HD22 LEU 15 31.878 -0.418 -4.692
133 HD23 LEU 15 HD23 LEU 15 30.836 0.693 -3.802
134 H LEU 16 HN LEU 16 30.689 -1.963 0.624
135 HA LEU 16 HA LEU 16 32.446 -4.115 -0.325
136 HB2 LEU 16 HB2 LEU 16 32.895 -2.417 2.118
137 HB3 LEU 16 HB1 LEU 16 34.084 -3.287 1.150
138 HG LEU 16 HG LEU 16 32.481 -0.868 0.276
139 HD11 LEU 16 HD11 LEU 16 34.518 0.334 0.386
140 HD12 LEU 16 HD12 LEU 16 35.481 -1.139 0.478
141 HD13 LEU 16 HD13 LEU 16 34.511 -0.632 1.860
142 HD21 LEU 16 HD21 LEU 16 34.352 -2.733 -1.190
143 HD22 LEU 16 HD22 LEU 16 34.087 -1.078 -1.736
144 HD23 LEU 16 HD23 LEU 16 32.737 -2.208 -1.664
145 H THR 17 HN THR 17 29.659 -4.164 1.151
146 HA THR 17 HA THR 17 30.452 -6.316 3.003
147 HB THR 17 HB THR 17 28.780 -3.908 3.588
148 HG1 THR 17 HG1 THR 17 30.942 -5.298 4.636
149 HG21 THR 17 HG21 THR 17 27.996 -5.231 5.647
150 HG22 THR 17 HG22 THR 17 28.427 -6.677 4.735
151 HG23 THR 17 HG23 THR 17 27.185 -5.583 4.122
152 H PHE 18 HN PHE 18 28.228 -5.062 0.666
153 HA PHE 18 HA PHE 18 26.165 -7.004 1.126
154 HB2 PHE 18 HB2 PHE 18 26.096 -4.618 -0.035
155 HB3 PHE 18 HB1 PHE 18 26.436 -5.573 -1.477
156 HD1 PHE 18 HD2 PHE 18 24.200 -5.525 1.526
157 HD2 PHE 18 HD1 PHE 18 24.664 -6.615 -2.602
158 HE1 PHE 18 HE2 PHE 18 21.827 -6.230 1.445
159 HE2 PHE 18 HE1 PHE 18 22.294 -7.322 -2.682
160 HZ PHE 18 HZ PHE 18 20.870 -7.129 -0.660
161 H LEU 19 HN LEU 19 28.684 -6.502 -1.327
162 HA LEU 19 HA LEU 19 28.123 -9.033 -2.617
163 HB2 LEU 19 HB2 LEU 19 30.592 -7.402 -3.117
164 HB3 LEU 19 HB1 LEU 19 29.646 -8.369 -4.250
165 HG LEU 19 HG LEU 19 28.805 -5.745 -2.985
166 HD11 LEU 19 HD11 LEU 19 29.608 -6.584 -5.776
167 HD12 LEU 19 HD12 LEU 19 30.331 -5.327 -4.772
168 HD13 LEU 19 HD13 LEU 19 28.723 -5.093 -5.455
169 HD21 LEU 19 HD21 LEU 19 26.848 -7.134 -3.181
170 HD22 LEU 19 HD22 LEU 19 27.338 -7.701 -4.776
171 HD23 LEU 19 HD23 LEU 19 26.824 -6.028 -4.553
172 H ALA 20 HN ALA 20 30.832 -7.650 -0.760
173 HA ALA 20 HA ALA 20 32.625 -9.694 -0.731
174 HB1 ALA 20 HB1 ALA 20 33.288 -7.863 0.532
175 HB2 ALA 20 HB2 ALA 20 32.914 -9.035 1.795
176 HB3 ALA 20 HB3 ALA 20 31.752 -7.772 1.393
177 H PHE 21 HN PHE 21 29.691 -9.466 1.250
178 HA PHE 21 HA PHE 21 30.143 -12.157 2.309
179 HB2 PHE 21 HB2 PHE 21 28.023 -10.077 2.887
180 HB3 PHE 21 HB1 PHE 21 28.111 -11.656 3.670
181 HD1 PHE 21 HD1 PHE 21 30.224 -8.646 2.946
182 HD2 PHE 21 HD2 PHE 21 29.383 -11.897 5.624
183 HE1 PHE 21 HE1 PHE 21 31.886 -7.752 4.553
184 HE2 PHE 21 HE2 PHE 21 31.046 -11.001 7.231
185 HZ PHE 21 HZ PHE 21 32.297 -8.930 6.693
186 H GLY 22 HN GLY 22 27.891 -10.370 0.252
187 HA2 GLY 22 HA2 GLY 22 25.921 -12.292 -0.133
188 HA3 GLY 22 HA1 GLY 22 26.400 -11.104 -1.343
189 H PHE 23 HN PHE 23 29.026 -11.890 -1.816
190 HA PHE 23 HA PHE 23 28.733 -13.876 -3.749
191 HB2 PHE 23 HB2 PHE 23 30.923 -12.365 -2.578
192 HB3 PHE 23 HB1 PHE 23 31.409 -14.015 -2.967
193 HD1 PHE 23 HD1 PHE 23 30.377 -14.889 -5.310
194 HD2 PHE 23 HD2 PHE 23 31.138 -10.787 -4.284
195 HE1 PHE 23 HE1 PHE 23 30.470 -14.303 -7.719
196 HE2 PHE 23 HE2 PHE 23 31.231 -10.202 -6.691
197 HZ PHE 23 HZ PHE 23 30.895 -11.960 -8.408
198 H TRP 24 HN TRP 24 28.999 -14.148 -0.356
199 HA TRP 24 HA TRP 24 29.683 -17.004 -0.535
200 HB2 TRP 24 HB2 TRP 24 31.111 -15.864 1.009
201 HB3 TRP 24 HB1 TRP 24 29.739 -15.057 1.772
202 HD1 TRP 24 HD1 TRP 24 30.650 -18.733 0.986
203 HE1 TRP 24 HE1 TRP 24 30.069 -20.165 3.055
204 HE3 TRP 24 HE3 TRP 24 28.838 -15.111 4.072
205 HZ2 TRP 24 HZ2 TRP 24 28.979 -19.810 5.669
206 HZ3 TRP 24 HZ3 TRP 24 28.031 -15.677 6.349
207 HH2 TRP 24 HH2 TRP 24 28.101 -18.022 7.151
208 H LEU 25 HN LEU 25 27.764 -15.141 1.781
209 HA LEU 25 HA LEU 25 26.011 -16.735 2.835
210 HB2 LEU 25 HB2 LEU 25 25.607 -14.068 1.623
211 HB3 LEU 25 HB1 LEU 25 24.145 -14.961 2.046
212 HG LEU 25 HG LEU 25 26.424 -14.768 4.002
213 HD11 LEU 25 HD11 LEU 25 24.183 -12.751 3.653
214 HD12 LEU 25 HD12 LEU 25 25.887 -12.455 3.306
215 HD13 LEU 25 HD13 LEU 25 25.365 -12.763 4.962
216 HD21 LEU 25 HD21 LEU 25 23.569 -14.668 4.804
217 HD22 LEU 25 HD22 LEU 25 24.900 -15.591 5.498
218 HD23 LEU 25 HD23 LEU 25 24.090 -16.170 4.044
219 H PHE 26 HN PHE 26 25.283 -15.573 -0.476
220 HA PHE 26 HA PHE 26 23.200 -17.521 -0.806
221 HB2 PHE 26 HB2 PHE 26 24.556 -16.065 -3.063
222 HB3 PHE 26 HB1 PHE 26 22.874 -16.581 -2.937
223 HD1 PHE 26 HD1 PHE 26 21.825 -15.665 -0.514
224 HD2 PHE 26 HD2 PHE 26 24.792 -13.747 -2.956
225 HE1 PHE 26 HE1 PHE 26 21.217 -13.474 0.469
226 HE2 PHE 26 HE2 PHE 26 24.187 -11.556 -1.969
227 HZ PHE 26 HZ PHE 26 22.404 -11.420 -0.255
228 H LYS 27 HN LYS 27 26.217 -17.082 -2.659
229 HA LYS 27 HA LYS 27 26.241 -19.451 -4.021
230 HB2 LYS 27 HB2 LYS 27 28.749 -18.293 -2.809
231 HB3 LYS 27 HB1 LYS 27 28.582 -19.167 -4.329
232 HG2 LYS 27 HG2 LYS 27 27.512 -16.403 -3.691
233 HG3 LYS 27 HG1 LYS 27 28.766 -16.816 -4.858
234 HD2 LYS 27 HD2 LYS 27 26.934 -18.309 -5.949
235 HD3 LYS 27 HD1 LYS 27 25.804 -17.328 -5.013
236 HE2 LYS 27 HE2 LYS 27 27.363 -15.375 -6.067
237 HE3 LYS 27 HE1 LYS 27 27.470 -16.579 -7.350
238 HZ1 LYS 27 HZ1 LYS 27 25.345 -16.279 -7.910
239 HZ2 LYS 27 HZ2 LYS 27 25.447 -14.826 -7.034
240 HZ3 LYS 27 HZ3 LYS 27 24.814 -16.222 -6.300
241 H TYR 28 HN TYR 28 26.428 -19.124 -0.639
242 HA TYR 28 HA TYR 28 27.519 -21.867 -0.364
243 HB2 TYR 28 HB2 TYR 28 28.898 -20.876 1.112
244 HB3 TYR 28 HB1 TYR 28 27.917 -19.416 1.185
245 HD1 TYR 28 HD1 TYR 28 27.970 -22.976 2.314
246 HD2 TYR 28 HD2 TYR 28 26.560 -18.991 3.054
247 HE1 TYR 28 HE1 TYR 28 27.044 -23.710 4.497
248 HE2 TYR 28 HE2 TYR 28 25.636 -19.717 5.235
249 HH TYR 28 HH TYR 28 25.540 -23.099 6.151
250 H LEU 29 HN LEU 29 25.118 -19.637 1.033
251 HA LEU 29 HA LEU 29 23.709 -21.834 2.284
252 HB2 LEU 29 HB2 LEU 29 23.982 -19.381 3.146
253 HB3 LEU 29 HB1 LEU 29 22.628 -19.042 2.069
254 HG LEU 29 HG LEU 29 21.724 -21.282 3.328
255 HD11 LEU 29 HD11 LEU 29 23.297 -19.694 5.376
256 HD12 LEU 29 HD12 LEU 29 23.700 -21.319 4.822
257 HD13 LEU 29 HD13 LEU 29 22.211 -21.040 5.723
258 HD21 LEU 29 HD21 LEU 29 20.368 -19.714 4.696
259 HD22 LEU 29 HD22 LEU 29 20.484 -19.185 3.018
260 HD23 LEU 29 HD23 LEU 29 21.467 -18.407 4.259
261 H GLN 30 HN GLN 30 23.082 -19.507 -0.318
262 HA GLN 30 HA GLN 30 20.523 -20.582 -0.985
263 HB2 GLN 30 HB2 GLN 30 21.107 -18.287 -1.541
264 HB3 GLN 30 HB1 GLN 30 22.424 -18.845 -2.569
265 HG2 GLN 30 HG2 GLN 30 21.031 -19.502 -4.253
266 HG3 GLN 30 HG1 GLN 30 19.745 -19.980 -3.146
267 HE21 GLN 30 HE21 GLN 30 21.099 -16.794 -2.660
268 HE22 GLN 30 HE22 GLN 30 19.804 -15.930 -3.334
269 H LYS 31 HN LYS 31 23.560 -21.858 -1.303
270 HA LYS 31 HA LYS 31 22.820 -23.425 -3.703
271 HB2 LYS 31 HB2 LYS 31 25.334 -22.174 -2.845
272 HB3 LYS 31 HB1 LYS 31 25.512 -23.863 -3.315
273 HG2 LYS 31 HG2 LYS 31 25.825 -22.456 -5.277
274 HG3 LYS 31 HG1 LYS 31 24.315 -23.349 -5.454
275 HD2 LYS 31 HD2 LYS 31 23.716 -20.945 -4.050
276 HD3 LYS 31 HD1 LYS 31 24.717 -20.507 -5.433
277 HE2 LYS 31 HE2 LYS 31 23.193 -21.890 -6.888
278 HE3 LYS 31 HE1 LYS 31 22.132 -22.088 -5.492
279 HZ1 LYS 31 HZ1 LYS 31 22.433 -19.848 -7.228
280 HZ2 LYS 31 HZ2 LYS 31 22.650 -19.404 -5.603
281 HZ3 LYS 31 HZ3 LYS 31 21.217 -20.175 -6.091
282 H LYS 32 HN LYS 32 22.510 -23.691 -0.565
283 HA LYS 32 HA LYS 32 23.886 -25.783 0.491
284 HB2 LYS 32 HB2 LYS 32 21.342 -24.579 0.949
285 HB3 LYS 32 HB1 LYS 32 21.140 -26.332 1.019
286 HG2 LYS 32 HG2 LYS 32 23.045 -26.478 2.598
287 HG3 LYS 32 HG1 LYS 32 23.202 -24.722 2.556
288 HD2 LYS 32 HD2 LYS 32 20.524 -25.886 3.222
289 HD3 LYS 32 HD1 LYS 32 21.781 -25.915 4.459
290 HE2 LYS 32 HE2 LYS 32 20.894 -23.439 2.950
291 HE3 LYS 32 HE1 LYS 32 20.393 -23.856 4.587
292 HZ1 LYS 32 HZ1 LYS 32 22.832 -22.681 3.687
293 HZ2 LYS 32 HZ2 LYS 32 23.119 -24.073 4.619
294 HZ3 LYS 32 HZ3 LYS 32 22.206 -22.791 5.260
Start of MODEL 27
1 H1 LYS 1 HT1 LYS 1 20.576 13.691 -4.688
2 H2 LYS 1 HT2 LYS 1 20.573 14.444 -6.211
3 H3 LYS 1 HT3 LYS 1 20.094 15.310 -4.831
4 HA LYS 1 HA LYS 1 22.614 15.210 -5.939
5 HB2 LYS 1 HB2 LYS 1 21.699 16.114 -3.190
6 HB3 LYS 1 HB1 LYS 1 23.184 16.623 -3.994
7 HG2 LYS 1 HG2 LYS 1 21.759 17.477 -5.898
8 HG3 LYS 1 HG1 LYS 1 20.343 17.156 -4.896
9 HD2 LYS 1 HD2 LYS 1 22.646 18.989 -4.166
10 HD3 LYS 1 HD1 LYS 1 21.037 19.507 -4.674
11 HE2 LYS 1 HE2 LYS 1 20.793 19.592 -2.367
12 HE3 LYS 1 HE1 LYS 1 20.258 17.942 -2.685
13 HZ1 LYS 1 HZ1 LYS 1 22.821 18.880 -1.582
14 HZ2 LYS 1 HZ2 LYS 1 22.744 17.386 -2.389
15 HZ3 LYS 1 HZ3 LYS 1 21.790 17.660 -1.009
16 H LYS 2 HN LYS 2 21.629 13.979 -2.727
17 HA LYS 2 HA LYS 2 23.392 11.709 -2.957
18 HB2 LYS 2 HB2 LYS 2 24.948 13.575 -2.316
19 HB3 LYS 2 HB1 LYS 2 24.012 13.778 -0.838
20 HG2 LYS 2 HG2 LYS 2 25.920 12.367 -0.336
21 HG3 LYS 2 HG1 LYS 2 24.465 11.375 -0.276
22 HD2 LYS 2 HD2 LYS 2 25.131 10.094 -2.028
23 HD3 LYS 2 HD1 LYS 2 25.703 11.485 -2.949
24 HE2 LYS 2 HE2 LYS 2 27.199 10.382 -0.565
25 HE3 LYS 2 HE1 LYS 2 27.502 9.839 -2.214
26 HZ1 LYS 2 HZ1 LYS 2 27.715 12.343 -2.700
27 HZ2 LYS 2 HZ2 LYS 2 29.012 11.542 -1.953
28 HZ3 LYS 2 HZ3 LYS 2 27.952 12.497 -1.028
29 H HIS 3 HN HIS 3 22.343 10.103 -2.031
30 HA HIS 3 HA HIS 3 19.980 10.114 -0.708
31 HB2 HIS 3 HB2 HIS 3 21.094 8.064 -1.416
32 HB3 HIS 3 HB1 HIS 3 22.330 8.279 -0.180
33 HD2 HIS 3 HD2 HIS 3 21.403 5.859 1.090
34 HE1 HIS 3 HE1 HIS 3 17.756 7.526 2.403
35 HE2 HIS 3 HE2 HIS 3 19.303 5.525 2.606
36 H THR 4 HN THR 4 22.488 9.040 1.448
37 HA THR 4 HA THR 4 22.135 11.329 3.235
38 HB THR 4 HB THR 4 20.360 9.890 3.996
39 HG1 THR 4 HG1 THR 4 22.216 9.090 5.844
40 HG21 THR 4 HG21 THR 4 22.081 7.816 3.101
41 HG22 THR 4 HG22 THR 4 20.447 7.664 3.743
42 HG23 THR 4 HG23 THR 4 21.826 7.564 4.827
43 H ILE 5 HN ILE 5 23.186 8.741 4.987
44 HA ILE 5 HA ILE 5 25.993 9.514 4.577
45 HB ILE 5 HB ILE 5 26.255 8.156 6.759
46 HG12 ILE 5 HG12 ILE 5 23.435 8.826 7.349
47 HG13 ILE 5 HG11 ILE 5 23.667 7.466 6.251
48 HG21 ILE 5 HG21 ILE 5 24.646 10.728 6.690
49 HG22 ILE 5 HG22 ILE 5 26.404 10.606 6.648
50 HG23 ILE 5 HG23 ILE 5 25.521 10.116 8.094
51 HD11 ILE 5 HD11 ILE 5 23.614 6.737 8.620
52 HD12 ILE 5 HD12 ILE 5 25.011 7.765 8.945
53 HD13 ILE 5 HD13 ILE 5 25.163 6.388 7.854
54 H TRP 6 HN TRP 6 23.745 6.888 4.289
55 HA TRP 6 HA TRP 6 25.277 4.624 4.280
56 HB2 TRP 6 HB2 TRP 6 22.796 5.463 3.078
57 HB3 TRP 6 HB1 TRP 6 23.683 4.425 1.963
58 HD1 TRP 6 HD1 TRP 6 22.556 2.152 2.241
59 HE1 TRP 6 HE1 TRP 6 22.094 0.565 4.213
60 HE3 TRP 6 HE3 TRP 6 23.948 5.154 6.119
61 HZ2 TRP 6 HZ2 TRP 6 22.290 0.570 7.061
62 HZ3 TRP 6 HZ3 TRP 6 23.802 4.341 8.456
63 HH2 TRP 6 HH2 TRP 6 22.975 2.053 8.932
64 H GLU 7 HN GLU 7 24.750 6.704 1.426
65 HA GLU 7 HA GLU 7 26.603 5.402 -0.243
66 HB2 GLU 7 HB2 GLU 7 24.886 7.664 -0.375
67 HB3 GLU 7 HB1 GLU 7 26.488 8.172 -0.909
68 HG2 GLU 7 HG2 GLU 7 25.004 5.738 -1.942
69 HG3 GLU 7 HG1 GLU 7 25.114 7.283 -2.783
70 H VAL 8 HN VAL 8 27.276 6.874 2.585
71 HA VAL 8 HA VAL 8 29.934 7.813 1.695
72 HB VAL 8 HB VAL 8 28.656 8.589 4.306
73 HG11 VAL 8 HG11 VAL 8 30.234 10.380 4.233
74 HG12 VAL 8 HG12 VAL 8 30.599 10.082 2.535
75 HG13 VAL 8 HG13 VAL 8 31.128 8.934 3.764
76 HG21 VAL 8 HG21 VAL 8 27.065 9.208 2.526
77 HG22 VAL 8 HG22 VAL 8 28.371 9.970 1.616
78 HG23 VAL 8 HG23 VAL 8 27.862 10.648 3.163
79 H ILE 9 HN ILE 9 28.148 5.869 4.025
80 HA ILE 9 HA ILE 9 30.698 4.706 4.944
81 HB ILE 9 HB ILE 9 29.871 5.601 6.884
82 HG12 ILE 9 HG12 ILE 9 29.714 2.903 6.835
83 HG13 ILE 9 HG11 ILE 9 29.347 3.860 8.256
84 HG21 ILE 9 HG21 ILE 9 27.377 5.667 7.396
85 HG22 ILE 9 HG22 ILE 9 27.131 5.176 5.718
86 HG23 ILE 9 HG23 ILE 9 27.952 6.691 6.087
87 HD11 ILE 9 HD11 ILE 9 27.616 2.084 7.585
88 HD12 ILE 9 HD12 ILE 9 27.193 3.160 6.260
89 HD13 ILE 9 HD13 ILE 9 27.010 3.704 7.922
90 H ALA 10 HN ALA 10 27.328 4.053 4.096
91 HA ALA 10 HA ALA 10 27.669 1.195 4.138
92 HB1 ALA 10 HB1 ALA 10 25.463 2.300 4.457
93 HB2 ALA 10 HB2 ALA 10 25.449 1.112 3.155
94 HB3 ALA 10 HB3 ALA 10 25.519 2.833 2.778
95 H GLY 11 HN GLY 11 26.881 3.362 1.404
96 HA2 GLY 11 HA2 GLY 11 27.519 1.628 -0.655
97 HA3 GLY 11 HA1 GLY 11 27.667 3.381 -0.768
98 H LEU 12 HN LEU 12 29.533 2.989 1.695
99 HA LEU 12 HA LEU 12 31.957 2.603 0.089
100 HB2 LEU 12 HB2 LEU 12 31.554 4.740 1.442
101 HB3 LEU 12 HB1 LEU 12 31.822 3.748 2.877
102 HG LEU 12 HG LEU 12 33.956 3.000 1.372
103 HD11 LEU 12 HD11 LEU 12 34.904 4.968 0.294
104 HD12 LEU 12 HD12 LEU 12 33.522 5.945 0.788
105 HD13 LEU 12 HD13 LEU 12 33.311 4.654 -0.394
106 HD21 LEU 12 HD21 LEU 12 33.697 5.374 3.243
107 HD22 LEU 12 HD22 LEU 12 35.239 4.679 2.744
108 HD23 LEU 12 HD23 LEU 12 34.102 3.715 3.685
109 H VAL 13 HN VAL 13 30.142 1.326 2.782
110 HA VAL 13 HA VAL 13 32.302 -0.628 3.314
111 HB VAL 13 HB VAL 13 29.980 0.196 5.072
112 HG11 VAL 13 HG11 VAL 13 32.157 -1.879 5.341
113 HG12 VAL 13 HG12 VAL 13 30.419 -2.079 5.565
114 HG13 VAL 13 HG13 VAL 13 31.364 -1.186 6.756
115 HG21 VAL 13 HG21 VAL 13 32.160 1.675 4.652
116 HG22 VAL 13 HG22 VAL 13 32.874 0.519 5.778
117 HG23 VAL 13 HG23 VAL 13 31.488 1.491 6.272
118 H ALA 14 HN ALA 14 28.739 -0.408 3.165
119 HA ALA 14 HA ALA 14 28.055 -3.051 3.222
120 HB1 ALA 14 HB1 ALA 14 26.102 -2.496 1.915
121 HB2 ALA 14 HB2 ALA 14 26.901 -1.076 1.242
122 HB3 ALA 14 HB3 ALA 14 26.473 -1.119 2.952
123 H LEU 15 HN LEU 15 29.174 -1.242 0.364
124 HA LEU 15 HA LEU 15 29.064 -3.435 -1.426
125 HB2 LEU 15 HB2 LEU 15 30.895 -1.026 -1.538
126 HB3 LEU 15 HB1 LEU 15 30.451 -2.071 -2.890
127 HG LEU 15 HG LEU 15 28.518 -0.406 -1.257
128 HD11 LEU 15 HD11 LEU 15 30.243 0.586 -3.086
129 HD12 LEU 15 HD12 LEU 15 28.608 1.216 -2.881
130 HD13 LEU 15 HD13 LEU 15 28.950 0.057 -4.164
131 HD21 LEU 15 HD21 LEU 15 27.105 -1.054 -3.408
132 HD22 LEU 15 HD22 LEU 15 27.196 -2.151 -2.030
133 HD23 LEU 15 HD23 LEU 15 28.209 -2.429 -3.447
134 H LEU 16 HN LEU 16 31.382 -2.338 0.910
135 HA LEU 16 HA LEU 16 33.342 -4.349 0.056
136 HB2 LEU 16 HB2 LEU 16 33.670 -2.342 2.279
137 HB3 LEU 16 HB1 LEU 16 34.927 -3.188 1.375
138 HG LEU 16 HG LEU 16 33.034 -1.082 0.298
139 HD11 LEU 16 HD11 LEU 16 34.941 0.312 0.119
140 HD12 LEU 16 HD12 LEU 16 36.052 -1.041 0.340
141 HD13 LEU 16 HD13 LEU 16 35.106 -0.445 1.704
142 HD21 LEU 16 HD21 LEU 16 34.962 -2.971 -1.041
143 HD22 LEU 16 HD22 LEU 16 34.589 -1.404 -1.761
144 HD23 LEU 16 HD23 LEU 16 33.303 -2.581 -1.494
145 H THR 17 HN THR 17 30.657 -4.494 1.725
146 HA THR 17 HA THR 17 31.693 -6.513 3.582
147 HB THR 17 HB THR 17 30.086 -4.084 4.342
148 HG1 THR 17 HG1 THR 17 31.652 -3.975 5.916
149 HG21 THR 17 HG21 THR 17 29.823 -5.372 6.575
150 HG22 THR 17 HG22 THR 17 30.093 -6.818 5.604
151 HG23 THR 17 HG23 THR 17 28.720 -5.768 5.258
152 H PHE 18 HN PHE 18 28.552 -4.923 3.043
153 HA PHE 18 HA PHE 18 26.956 -7.166 3.272
154 HB2 PHE 18 HB2 PHE 18 26.352 -4.639 2.948
155 HB3 PHE 18 HB1 PHE 18 26.286 -5.066 1.240
156 HD1 PHE 18 HD2 PHE 18 25.109 -6.319 4.572
157 HD2 PHE 18 HD1 PHE 18 24.286 -5.922 0.375
158 HE1 PHE 18 HE2 PHE 18 22.868 -7.323 4.916
159 HE2 PHE 18 HE1 PHE 18 22.046 -6.926 0.718
160 HZ PHE 18 HZ PHE 18 21.336 -7.629 2.988
161 H LEU 19 HN LEU 19 28.525 -5.880 0.352
162 HA LEU 19 HA LEU 19 27.517 -8.023 -1.315
163 HB2 LEU 19 HB2 LEU 19 29.402 -5.717 -1.729
164 HB3 LEU 19 HB1 LEU 19 29.259 -6.984 -2.943
165 HG LEU 19 HG LEU 19 27.739 -4.988 -3.308
166 HD11 LEU 19 HD11 LEU 19 26.380 -6.404 -4.421
167 HD12 LEU 19 HD12 LEU 19 25.733 -7.052 -2.915
168 HD13 LEU 19 HD13 LEU 19 27.200 -7.736 -3.609
169 HD21 LEU 19 HD21 LEU 19 26.179 -6.128 -0.984
170 HD22 LEU 19 HD22 LEU 19 25.889 -4.619 -1.852
171 HD23 LEU 19 HD23 LEU 19 27.296 -4.778 -0.803
172 H ALA 20 HN ALA 20 30.672 -7.069 0.024
173 HA ALA 20 HA ALA 20 32.351 -8.939 -1.022
174 HB1 ALA 20 HB1 ALA 20 32.498 -8.532 1.932
175 HB2 ALA 20 HB2 ALA 20 32.672 -7.124 0.884
176 HB3 ALA 20 HB3 ALA 20 33.782 -8.484 0.725
177 H PHE 21 HN PHE 21 30.409 -9.445 1.940
178 HA PHE 21 HA PHE 21 30.997 -12.289 1.881
179 HB2 PHE 21 HB2 PHE 21 29.120 -10.808 3.729
180 HB3 PHE 21 HB1 PHE 21 29.840 -12.397 3.983
181 HD1 PHE 21 HD2 PHE 21 32.537 -12.372 3.647
182 HD2 PHE 21 HD1 PHE 21 30.123 -9.039 4.871
183 HE1 PHE 21 HE2 PHE 21 34.525 -11.316 4.687
184 HE2 PHE 21 HE1 PHE 21 32.108 -7.981 5.911
185 HZ PHE 21 HZ PHE 21 34.310 -9.120 5.819
186 H GLY 22 HN GLY 22 28.317 -10.123 1.186
187 HA2 GLY 22 HA2 GLY 22 26.204 -11.930 1.029
188 HA3 GLY 22 HA1 GLY 22 26.343 -10.470 0.053
189 H PHE 23 HN PHE 23 28.581 -11.029 -1.458
190 HA PHE 23 HA PHE 23 27.566 -12.493 -3.592
191 HB2 PHE 23 HB2 PHE 23 30.101 -11.256 -2.891
192 HB3 PHE 23 HB1 PHE 23 30.339 -12.746 -3.804
193 HD1 PHE 23 HD1 PHE 23 28.543 -13.049 -5.803
194 HD2 PHE 23 HD2 PHE 23 29.835 -9.303 -4.141
195 HE1 PHE 23 HE1 PHE 23 27.868 -11.888 -7.890
196 HE2 PHE 23 HE2 PHE 23 29.162 -8.144 -6.224
197 HZ PHE 23 HZ PHE 23 28.175 -9.437 -8.099
198 H TRP 24 HN TRP 24 28.896 -13.585 -0.649
199 HA TRP 24 HA TRP 24 29.326 -16.291 -1.729
200 HB2 TRP 24 HB2 TRP 24 31.251 -15.536 -0.529
201 HB3 TRP 24 HB1 TRP 24 30.261 -14.971 0.820
202 HD1 TRP 24 HD1 TRP 24 30.632 -18.316 -1.084
203 HE1 TRP 24 HE1 TRP 24 30.670 -20.229 0.650
204 HE3 TRP 24 HE3 TRP 24 30.158 -15.613 3.204
205 HZ2 TRP 24 HZ2 TRP 24 30.518 -20.559 3.483
206 HZ3 TRP 24 HZ3 TRP 24 30.106 -16.745 5.413
207 HH2 TRP 24 HH2 TRP 24 30.285 -19.213 5.556
208 H LEU 25 HN LEU 25 28.396 -15.100 1.469
209 HA LEU 25 HA LEU 25 27.001 -16.950 2.638
210 HB2 LEU 25 HB2 LEU 25 26.369 -14.079 2.299
211 HB3 LEU 25 HB1 LEU 25 25.085 -15.088 2.966
212 HG LEU 25 HG LEU 25 27.890 -15.316 4.030
213 HD11 LEU 25 HD11 LEU 25 25.792 -13.278 4.835
214 HD12 LEU 25 HD12 LEU 25 27.388 -12.935 4.168
215 HD13 LEU 25 HD13 LEU 25 27.238 -13.645 5.775
216 HD21 LEU 25 HD21 LEU 25 25.459 -15.472 5.731
217 HD22 LEU 25 HD22 LEU 25 26.897 -16.494 5.728
218 HD23 LEU 25 HD23 LEU 25 25.632 -16.745 4.524
219 H PHE 26 HN PHE 26 25.311 -15.045 0.121
220 HA PHE 26 HA PHE 26 23.118 -16.900 0.048
221 HB2 PHE 26 HB2 PHE 26 23.737 -14.896 -2.108
222 HB3 PHE 26 HB1 PHE 26 22.165 -15.469 -1.553
223 HD1 PHE 26 HD2 PHE 26 22.026 -15.210 1.223
224 HD2 PHE 26 HD1 PHE 26 24.147 -12.675 -1.522
225 HE1 PHE 26 HE2 PHE 26 21.911 -13.348 2.853
226 HE2 PHE 26 HE1 PHE 26 24.032 -10.815 0.110
227 HZ PHE 26 HZ PHE 26 22.919 -11.152 2.298
228 H LYS 27 HN LYS 27 25.397 -15.944 -2.527
229 HA LYS 27 HA LYS 27 24.830 -17.908 -4.351
230 HB2 LYS 27 HB2 LYS 27 27.658 -17.003 -3.810
231 HB3 LYS 27 HB1 LYS 27 26.943 -17.480 -5.349
232 HG2 LYS 27 HG2 LYS 27 26.305 -14.992 -3.737
233 HG3 LYS 27 HG1 LYS 27 27.070 -15.068 -5.324
234 HD2 LYS 27 HD2 LYS 27 24.898 -16.297 -6.059
235 HD3 LYS 27 HD1 LYS 27 24.204 -15.621 -4.584
236 HE2 LYS 27 HE2 LYS 27 25.426 -13.415 -5.595
237 HE3 LYS 27 HE1 LYS 27 25.017 -14.257 -7.088
238 HZ1 LYS 27 HZ1 LYS 27 22.767 -14.540 -5.658
239 HZ2 LYS 27 HZ2 LYS 27 23.030 -13.304 -6.794
240 HZ3 LYS 27 HZ3 LYS 27 23.286 -13.011 -5.141
241 H TYR 28 HN TYR 28 26.035 -18.440 -1.241
242 HA TYR 28 HA TYR 28 27.049 -21.122 -2.006
243 HB2 TYR 28 HB2 TYR 28 28.894 -20.476 -0.892
244 HB3 TYR 28 HB1 TYR 28 28.075 -19.103 -0.151
245 HD1 TYR 28 HD2 TYR 28 28.309 -22.827 0.023
246 HD2 TYR 28 HD1 TYR 28 27.439 -19.178 2.109
247 HE1 TYR 28 HE2 TYR 28 28.124 -24.088 2.154
248 HE2 TYR 28 HE1 TYR 28 27.255 -20.431 4.237
249 HH TYR 28 HH TYR 28 28.399 -23.506 4.662
250 H LEU 29 HN LEU 29 25.387 -19.355 0.609
251 HA LEU 29 HA LEU 29 24.332 -21.827 1.695
252 HB2 LEU 29 HB2 LEU 29 25.040 -19.663 2.980
253 HB3 LEU 29 HB1 LEU 29 23.430 -19.090 2.543
254 HG LEU 29 HG LEU 29 22.840 -21.590 3.442
255 HD11 LEU 29 HD11 LEU 29 25.110 -20.566 5.172
256 HD12 LEU 29 HD12 LEU 29 25.207 -21.966 4.102
257 HD13 LEU 29 HD13 LEU 29 24.120 -21.991 5.490
258 HD21 LEU 29 HD21 LEU 29 21.689 -19.565 4.133
259 HD22 LEU 29 HD22 LEU 29 23.108 -19.019 5.027
260 HD23 LEU 29 HD23 LEU 29 22.207 -20.431 5.580
261 H GLN 30 HN GLN 30 23.114 -19.007 -0.063
262 HA GLN 30 HA GLN 30 20.379 -19.926 -0.023
263 HB2 GLN 30 HB2 GLN 30 20.873 -17.540 -0.112
264 HB3 GLN 30 HB1 GLN 30 21.735 -17.755 -1.632
265 HG2 GLN 30 HG2 GLN 30 19.828 -17.948 -2.854
266 HG3 GLN 30 HG1 GLN 30 18.979 -18.823 -1.582
267 HE21 GLN 30 HE21 GLN 30 20.549 -15.779 -0.773
268 HE22 GLN 30 HE22 GLN 30 19.123 -14.871 -0.625
269 H LYS 31 HN LYS 31 23.137 -20.706 -1.815
270 HA LYS 31 HA LYS 31 21.492 -21.841 -4.000
271 HB2 LYS 31 HB2 LYS 31 24.169 -20.514 -4.001
272 HB3 LYS 31 HB1 LYS 31 23.887 -21.821 -5.149
273 HG2 LYS 31 HG2 LYS 31 23.302 -19.632 -6.132
274 HG3 LYS 31 HG1 LYS 31 21.882 -20.666 -5.989
275 HD2 LYS 31 HD2 LYS 31 20.932 -19.374 -4.348
276 HD3 LYS 31 HD1 LYS 31 22.491 -18.906 -3.668
277 HE2 LYS 31 HE2 LYS 31 22.881 -17.392 -5.564
278 HE3 LYS 31 HE1 LYS 31 21.346 -17.877 -6.281
279 HZ1 LYS 31 HZ1 LYS 31 21.266 -15.774 -4.983
280 HZ2 LYS 31 HZ2 LYS 31 21.590 -16.675 -3.580
281 HZ3 LYS 31 HZ3 LYS 31 20.164 -16.953 -4.461
282 H LYS 32 HN LYS 32 21.294 -23.542 -2.198
283 HA LYS 32 HA LYS 32 23.243 -25.635 -2.785
284 HB2 LYS 32 HB2 LYS 32 23.556 -26.180 -0.396
285 HB3 LYS 32 HB1 LYS 32 24.177 -24.575 -0.787
286 HG2 LYS 32 HG2 LYS 32 22.918 -23.854 0.951
287 HG3 LYS 32 HG1 LYS 32 21.544 -24.052 -0.138
288 HD2 LYS 32 HD2 LYS 32 21.252 -26.374 0.656
289 HD3 LYS 32 HD1 LYS 32 22.615 -26.166 1.755
290 HE2 LYS 32 HE2 LYS 32 21.455 -24.666 3.125
291 HE3 LYS 32 HE1 LYS 32 20.314 -24.236 1.852
292 HZ1 LYS 32 HZ1 LYS 32 19.193 -26.259 2.081
293 HZ2 LYS 32 HZ2 LYS 32 19.475 -25.751 3.676
294 HZ3 LYS 32 HZ3 LYS 32 20.442 -26.964 2.986
Start of MODEL 28
1 H1 LYS 1 HT1 LYS 1 25.102 16.798 0.950
2 H2 LYS 1 HT2 LYS 1 24.141 18.194 1.060
3 H3 LYS 1 HT3 LYS 1 23.856 17.059 -0.171
4 HA LYS 1 HA LYS 1 23.715 16.132 2.598
5 HB2 LYS 1 HB2 LYS 1 21.183 16.806 2.387
6 HB3 LYS 1 HB1 LYS 1 22.354 17.991 2.959
7 HG2 LYS 1 HG2 LYS 1 20.858 18.956 1.241
8 HG3 LYS 1 HG1 LYS 1 22.532 18.935 0.691
9 HD2 LYS 1 HD2 LYS 1 22.153 17.115 -0.766
10 HD3 LYS 1 HD1 LYS 1 20.658 16.659 0.054
11 HE2 LYS 1 HE2 LYS 1 20.782 19.390 -1.136
12 HE3 LYS 1 HE1 LYS 1 20.644 18.029 -2.249
13 HZ1 LYS 1 HZ1 LYS 1 18.560 19.173 -1.061
14 HZ2 LYS 1 HZ2 LYS 1 18.900 17.951 0.069
15 HZ3 LYS 1 HZ3 LYS 1 18.578 17.549 -1.550
16 H LYS 2 HN LYS 2 24.181 15.262 -0.299
17 HA LYS 2 HA LYS 2 22.082 13.926 -1.445
18 HB2 LYS 2 HB2 LYS 2 23.812 12.197 -2.144
19 HB3 LYS 2 HB1 LYS 2 24.196 13.872 -2.541
20 HG2 LYS 2 HG2 LYS 2 26.030 13.846 -1.231
21 HG3 LYS 2 HG1 LYS 2 25.127 13.172 0.126
22 HD2 LYS 2 HD2 LYS 2 25.334 10.919 -0.829
23 HD3 LYS 2 HD1 LYS 2 26.196 11.576 -2.221
24 HE2 LYS 2 HE2 LYS 2 27.118 11.680 0.666
25 HE3 LYS 2 HE1 LYS 2 27.804 10.677 -0.613
26 HZ1 LYS 2 HZ1 LYS 2 28.200 13.472 -0.061
27 HZ2 LYS 2 HZ2 LYS 2 27.858 13.150 -1.694
28 HZ3 LYS 2 HZ3 LYS 2 29.174 12.391 -0.932
29 H HIS 3 HN HIS 3 20.819 12.229 -0.962
30 HA HIS 3 HA HIS 3 19.765 10.720 0.446
31 HB2 HIS 3 HB2 HIS 3 21.529 9.424 -0.850
32 HB3 HIS 3 HB1 HIS 3 22.528 9.514 0.600
33 HD2 HIS 3 HD2 HIS 3 22.055 6.599 0.746
34 HE1 HIS 3 HE1 HIS 3 18.122 7.078 2.202
35 HE2 HIS 3 HE2 HIS 3 20.010 5.415 1.855
36 H THR 4 HN THR 4 21.938 9.307 2.319
37 HA THR 4 HA THR 4 21.698 11.267 4.524
38 HB THR 4 HB THR 4 20.087 9.556 4.989
39 HG1 THR 4 HG1 THR 4 21.989 10.103 6.544
40 HG21 THR 4 HG21 THR 4 20.318 7.538 4.032
41 HG22 THR 4 HG22 THR 4 21.607 7.179 5.180
42 HG23 THR 4 HG23 THR 4 21.994 7.891 3.613
43 H ILE 5 HN ILE 5 23.030 8.363 5.496
44 HA ILE 5 HA ILE 5 25.771 9.428 5.191
45 HB ILE 5 HB ILE 5 26.191 7.892 7.222
46 HG12 ILE 5 HG12 ILE 5 23.395 8.344 8.036
47 HG13 ILE 5 HG11 ILE 5 23.585 7.147 6.754
48 HG21 ILE 5 HG21 ILE 5 24.553 10.433 7.317
49 HG22 ILE 5 HG22 ILE 5 26.301 10.268 7.480
50 HG23 ILE 5 HG23 ILE 5 25.237 9.687 8.761
51 HD11 ILE 5 HD11 ILE 5 25.292 7.101 9.242
52 HD12 ILE 5 HD12 ILE 5 25.037 5.808 8.070
53 HD13 ILE 5 HD13 ILE 5 23.734 6.277 9.164
54 H TRP 6 HN TRP 6 23.639 6.774 4.609
55 HA TRP 6 HA TRP 6 25.235 4.569 4.395
56 HB2 TRP 6 HB2 TRP 6 22.773 5.474 3.194
57 HB3 TRP 6 HB1 TRP 6 23.730 4.578 2.015
58 HD1 TRP 6 HD1 TRP 6 22.655 2.259 2.020
59 HE1 TRP 6 HE1 TRP 6 22.173 0.469 3.804
60 HE3 TRP 6 HE3 TRP 6 23.831 4.887 6.227
61 HZ2 TRP 6 HZ2 TRP 6 22.275 0.190 6.644
62 HZ3 TRP 6 HZ3 TRP 6 23.631 3.838 8.464
63 HH2 TRP 6 HH2 TRP 6 22.855 1.492 8.679
64 H GLU 7 HN GLU 7 24.736 6.912 1.744
65 HA GLU 7 HA GLU 7 26.651 5.848 0.004
66 HB2 GLU 7 HB2 GLU 7 25.025 8.223 0.188
67 HB3 GLU 7 HB1 GLU 7 26.630 8.618 -0.424
68 HG2 GLU 7 HG2 GLU 7 24.914 6.367 -1.502
69 HG3 GLU 7 HG1 GLU 7 24.994 7.975 -2.222
70 H VAL 8 HN VAL 8 27.171 7.189 3.005
71 HA VAL 8 HA VAL 8 29.869 8.151 2.308
72 HB VAL 8 HB VAL 8 28.516 8.544 4.969
73 HG11 VAL 8 HG11 VAL 8 31.060 8.944 4.348
74 HG12 VAL 8 HG12 VAL 8 30.189 10.102 5.353
75 HG13 VAL 8 HG13 VAL 8 30.424 10.426 3.635
76 HG21 VAL 8 HG21 VAL 8 27.021 9.437 3.213
77 HG22 VAL 8 HG22 VAL 8 28.373 10.322 2.511
78 HG23 VAL 8 HG23 VAL 8 27.778 10.749 4.115
79 H ILE 9 HN ILE 9 28.093 5.918 4.389
80 HA ILE 9 HA ILE 9 30.652 4.670 5.153
81 HB ILE 9 HB ILE 9 29.754 5.301 7.174
82 HG12 ILE 9 HG12 ILE 9 29.732 2.617 6.759
83 HG13 ILE 9 HG11 ILE 9 29.347 3.366 8.294
84 HG21 ILE 9 HG21 ILE 9 27.262 5.185 7.648
85 HG22 ILE 9 HG22 ILE 9 27.050 4.864 5.925
86 HG23 ILE 9 HG23 ILE 9 27.785 6.372 6.461
87 HD11 ILE 9 HD11 ILE 9 27.008 3.161 7.955
88 HD12 ILE 9 HD12 ILE 9 27.680 1.619 7.434
89 HD13 ILE 9 HD13 ILE 9 27.199 2.816 6.240
90 H ALA 10 HN ALA 10 27.283 4.019 4.240
91 HA ALA 10 HA ALA 10 27.685 1.205 3.904
92 HB1 ALA 10 HB1 ALA 10 25.553 2.965 2.673
93 HB2 ALA 10 HB2 ALA 10 25.458 2.247 4.282
94 HB3 ALA 10 HB3 ALA 10 25.497 1.212 2.856
95 H GLY 11 HN GLY 11 26.941 3.663 1.412
96 HA2 GLY 11 HA2 GLY 11 27.663 2.170 -0.807
97 HA3 GLY 11 HA1 GLY 11 27.774 3.928 -0.726
98 H LEU 12 HN LEU 12 29.584 3.300 1.729
99 HA LEU 12 HA LEU 12 32.055 3.124 0.155
100 HB2 LEU 12 HB2 LEU 12 31.572 5.117 1.691
101 HB3 LEU 12 HB1 LEU 12 31.842 4.000 3.030
102 HG LEU 12 HG LEU 12 34.024 3.416 1.593
103 HD11 LEU 12 HD11 LEU 12 34.913 5.310 0.434
104 HD12 LEU 12 HD12 LEU 12 33.637 6.366 1.039
105 HD13 LEU 12 HD13 LEU 12 33.261 5.122 -0.153
106 HD21 LEU 12 HD21 LEU 12 33.624 5.767 3.467
107 HD22 LEU 12 HD22 LEU 12 35.212 5.174 2.981
108 HD23 LEU 12 HD23 LEU 12 34.123 4.132 3.897
109 H VAL 13 HN VAL 13 30.194 1.562 2.648
110 HA VAL 13 HA VAL 13 32.352 -0.442 2.990
111 HB VAL 13 HB VAL 13 30.136 0.259 4.934
112 HG11 VAL 13 HG11 VAL 13 32.364 -1.773 4.924
113 HG12 VAL 13 HG12 VAL 13 30.652 -2.024 5.260
114 HG13 VAL 13 HG13 VAL 13 31.667 -1.185 6.434
115 HG21 VAL 13 HG21 VAL 13 32.225 1.845 4.508
116 HG22 VAL 13 HG22 VAL 13 33.068 0.625 5.461
117 HG23 VAL 13 HG23 VAL 13 31.696 1.489 6.152
118 H ALA 14 HN ALA 14 28.793 -0.127 3.129
119 HA ALA 14 HA ALA 14 28.045 -2.749 2.982
120 HB1 ALA 14 HB1 ALA 14 26.051 -1.994 1.709
121 HB2 ALA 14 HB2 ALA 14 26.836 -0.437 1.442
122 HB3 ALA 14 HB3 ALA 14 26.408 -0.940 3.078
123 H LEU 15 HN LEU 15 29.103 -0.698 0.281
124 HA LEU 15 HA LEU 15 28.746 -2.693 -1.714
125 HB2 LEU 15 HB2 LEU 15 28.951 -0.252 -2.203
126 HB3 LEU 15 HB1 LEU 15 30.648 -0.334 -1.735
127 HG LEU 15 HG LEU 15 31.036 -2.037 -3.508
128 HD11 LEU 15 HD11 LEU 15 28.082 -1.699 -3.807
129 HD12 LEU 15 HD12 LEU 15 29.072 -3.146 -3.994
130 HD13 LEU 15 HD13 LEU 15 29.027 -1.936 -5.276
131 HD21 LEU 15 HD21 LEU 15 29.977 0.700 -4.117
132 HD22 LEU 15 HD22 LEU 15 30.372 -0.371 -5.460
133 HD23 LEU 15 HD23 LEU 15 31.616 0.072 -4.290
134 H LEU 16 HN LEU 16 31.333 -1.847 0.487
135 HA LEU 16 HA LEU 16 33.181 -3.745 -0.732
136 HB2 LEU 16 HB2 LEU 16 33.583 -2.207 1.831
137 HB3 LEU 16 HB1 LEU 16 34.813 -2.892 0.769
138 HG LEU 16 HG LEU 16 32.949 -0.594 0.119
139 HD11 LEU 16 HD11 LEU 16 34.918 0.766 0.136
140 HD12 LEU 16 HD12 LEU 16 35.972 -0.645 0.229
141 HD13 LEU 16 HD13 LEU 16 34.978 -0.193 1.614
142 HD21 LEU 16 HD21 LEU 16 33.202 -1.728 -1.930
143 HD22 LEU 16 HD22 LEU 16 34.851 -2.228 -1.552
144 HD23 LEU 16 HD23 LEU 16 34.512 -0.548 -1.965
145 H THR 17 HN THR 17 30.610 -3.913 1.333
146 HA THR 17 HA THR 17 31.718 -6.245 2.774
147 HB THR 17 HB THR 17 29.814 -4.102 3.604
148 HG1 THR 17 HG1 THR 17 31.278 -5.284 5.504
149 HG21 THR 17 HG21 THR 17 29.734 -6.994 4.450
150 HG22 THR 17 HG22 THR 17 28.389 -5.945 4.002
151 HG23 THR 17 HG23 THR 17 29.219 -5.709 5.539
152 H PHE 18 HN PHE 18 28.512 -4.994 1.820
153 HA PHE 18 HA PHE 18 27.080 -7.304 1.746
154 HB2 PHE 18 HB2 PHE 18 26.453 -4.848 1.033
155 HB3 PHE 18 HB1 PHE 18 26.797 -5.452 -0.590
156 HD1 PHE 18 HD1 PHE 18 24.755 -6.054 2.467
157 HD2 PHE 18 HD2 PHE 18 25.285 -6.916 -1.707
158 HE1 PHE 18 HE1 PHE 18 22.545 -7.176 2.418
159 HE2 PHE 18 HE2 PHE 18 23.075 -8.039 -1.756
160 HZ PHE 18 HZ PHE 18 21.704 -8.169 0.306
161 H LEU 19 HN LEU 19 29.144 -6.093 -0.899
162 HA LEU 19 HA LEU 19 28.691 -8.376 -2.571
163 HB2 LEU 19 HB2 LEU 19 30.655 -6.092 -2.606
164 HB3 LEU 19 HB1 LEU 19 30.800 -7.425 -3.747
165 HG LEU 19 HG LEU 19 29.467 -5.466 -4.614
166 HD11 LEU 19 HD11 LEU 19 28.321 -6.915 -5.913
167 HD12 LEU 19 HD12 LEU 19 27.380 -7.507 -4.546
168 HD13 LEU 19 HD13 LEU 19 28.964 -8.198 -4.890
169 HD21 LEU 19 HD21 LEU 19 28.432 -5.073 -2.294
170 HD22 LEU 19 HD22 LEU 19 27.336 -6.395 -2.689
171 HD23 LEU 19 HD23 LEU 19 27.347 -4.937 -3.679
172 H ALA 20 HN ALA 20 30.783 -7.733 0.094
173 HA ALA 20 HA ALA 20 32.724 -9.761 -0.640
174 HB1 ALA 20 HB1 ALA 20 33.998 -8.752 0.905
175 HB2 ALA 20 HB2 ALA 20 32.781 -9.008 2.155
176 HB3 ALA 20 HB3 ALA 20 32.699 -7.581 1.122
177 H PHE 21 HN PHE 21 30.164 -9.392 1.818
178 HA PHE 21 HA PHE 21 30.448 -12.157 2.654
179 HB2 PHE 21 HB2 PHE 21 28.541 -9.945 3.437
180 HB3 PHE 21 HB1 PHE 21 28.452 -11.579 4.096
181 HD1 PHE 21 HD1 PHE 21 30.905 -8.803 3.535
182 HD2 PHE 21 HD2 PHE 21 29.714 -12.117 5.994
183 HE1 PHE 21 HE1 PHE 21 32.695 -8.240 5.157
184 HE2 PHE 21 HE2 PHE 21 31.504 -11.555 7.617
185 HZ PHE 21 HZ PHE 21 32.993 -9.618 7.196
186 H GLY 22 HN GLY 22 28.325 -10.190 0.672
187 HA2 GLY 22 HA2 GLY 22 26.179 -11.959 0.339
188 HA3 GLY 22 HA1 GLY 22 26.677 -10.741 -0.828
189 H PHE 23 HN PHE 23 29.166 -11.589 -1.552
190 HA PHE 23 HA PHE 23 28.735 -13.404 -3.565
191 HB2 PHE 23 HB2 PHE 23 30.991 -12.085 -2.447
192 HB3 PHE 23 HB1 PHE 23 31.411 -13.785 -2.638
193 HD1 PHE 23 HD1 PHE 23 30.285 -14.811 -4.934
194 HD2 PHE 23 HD2 PHE 23 31.530 -10.751 -4.288
195 HE1 PHE 23 HE1 PHE 23 30.513 -14.490 -7.382
196 HE2 PHE 23 HE2 PHE 23 31.757 -10.429 -6.732
197 HZ PHE 23 HZ PHE 23 31.248 -12.299 -8.282
198 H TRP 24 HN TRP 24 29.015 -14.010 -0.212
199 HA TRP 24 HA TRP 24 29.437 -16.891 -0.658
200 HB2 TRP 24 HB2 TRP 24 31.049 -16.060 0.879
201 HB3 TRP 24 HB1 TRP 24 29.830 -15.137 1.761
202 HD1 TRP 24 HD1 TRP 24 30.261 -18.839 0.736
203 HE1 TRP 24 HE1 TRP 24 29.594 -20.313 2.748
204 HE3 TRP 24 HE3 TRP 24 28.995 -15.219 4.087
205 HZ2 TRP 24 HZ2 TRP 24 28.649 -19.991 5.422
206 HZ3 TRP 24 HZ3 TRP 24 28.212 -15.824 6.363
207 HH2 TRP 24 HH2 TRP 24 28.039 -18.203 7.034
208 H LEU 25 HN LEU 25 27.730 -14.908 1.748
209 HA LEU 25 HA LEU 25 25.931 -16.461 2.855
210 HB2 LEU 25 HB2 LEU 25 25.666 -13.731 1.747
211 HB3 LEU 25 HB1 LEU 25 24.164 -14.537 2.200
212 HG LEU 25 HG LEU 25 26.537 -14.537 4.055
213 HD11 LEU 25 HD11 LEU 25 25.583 -12.523 5.137
214 HD12 LEU 25 HD12 LEU 25 24.385 -12.407 3.849
215 HD13 LEU 25 HD13 LEU 25 26.095 -12.183 3.484
216 HD21 LEU 25 HD21 LEU 25 25.064 -15.387 5.574
217 HD22 LEU 25 HD22 LEU 25 24.106 -15.805 4.154
218 HD23 LEU 25 HD23 LEU 25 23.760 -14.324 5.045
219 H PHE 26 HN PHE 26 25.308 -15.194 -0.429
220 HA PHE 26 HA PHE 26 23.012 -16.870 -0.794
221 HB2 PHE 26 HB2 PHE 26 24.569 -15.631 -3.042
222 HB3 PHE 26 HB1 PHE 26 22.832 -15.901 -2.922
223 HD1 PHE 26 HD1 PHE 26 21.962 -14.806 -0.470
224 HD2 PHE 26 HD2 PHE 26 25.093 -13.373 -3.041
225 HE1 PHE 26 HE1 PHE 26 21.663 -12.523 0.444
226 HE2 PHE 26 HE2 PHE 26 24.789 -11.087 -2.126
227 HZ PHE 26 HZ PHE 26 23.083 -10.663 -0.379
228 H LYS 27 HN LYS 27 26.061 -16.788 -2.615
229 HA LYS 27 HA LYS 27 25.829 -19.113 -4.031
230 HB2 LYS 27 HB2 LYS 27 28.222 -17.728 -2.866
231 HB3 LYS 27 HB1 LYS 27 28.413 -19.224 -3.771
232 HG2 LYS 27 HG2 LYS 27 28.668 -17.217 -5.224
233 HG3 LYS 27 HG1 LYS 27 27.311 -18.226 -5.718
234 HD2 LYS 27 HD2 LYS 27 25.728 -16.732 -4.727
235 HD3 LYS 27 HD1 LYS 27 27.001 -15.834 -3.896
236 HE2 LYS 27 HE2 LYS 27 26.157 -14.670 -5.944
237 HE3 LYS 27 HE1 LYS 27 27.883 -15.031 -6.010
238 HZ1 LYS 27 HZ1 LYS 27 26.084 -15.704 -7.904
239 HZ2 LYS 27 HZ2 LYS 27 26.214 -17.146 -7.015
240 HZ3 LYS 27 HZ3 LYS 27 27.599 -16.439 -7.698
241 H TYR 28 HN TYR 28 25.954 -18.896 -0.656
242 HA TYR 28 HA TYR 28 26.737 -21.746 -0.426
243 HB2 TYR 28 HB2 TYR 28 28.248 -20.973 1.047
244 HB3 TYR 28 HB1 TYR 28 27.489 -19.386 1.123
245 HD1 TYR 28 HD2 TYR 28 26.947 -22.923 2.220
246 HD2 TYR 28 HD1 TYR 28 26.320 -18.758 3.052
247 HE1 TYR 28 HE2 TYR 28 25.948 -23.513 4.413
248 HE2 TYR 28 HE1 TYR 28 25.321 -19.346 5.246
249 HH TYR 28 HH TYR 28 24.201 -22.281 6.026
250 H LEU 29 HN LEU 29 24.656 -19.239 1.024
251 HA LEU 29 HA LEU 29 22.987 -21.253 2.271
252 HB2 LEU 29 HB2 LEU 29 23.578 -18.854 3.142
253 HB3 LEU 29 HB1 LEU 29 22.257 -18.346 2.089
254 HG LEU 29 HG LEU 29 21.124 -20.483 3.365
255 HD11 LEU 29 HD11 LEU 29 23.076 -20.733 4.853
256 HD12 LEU 29 HD12 LEU 29 21.649 -20.241 5.762
257 HD13 LEU 29 HD13 LEU 29 22.895 -19.058 5.371
258 HD21 LEU 29 HD21 LEU 29 20.105 -18.276 3.041
259 HD22 LEU 29 HD22 LEU 29 21.181 -17.584 4.255
260 HD23 LEU 29 HD23 LEU 29 19.958 -18.763 4.729
261 H GLN 30 HN GLN 30 22.661 -18.847 -0.323
262 HA GLN 30 HA GLN 30 19.971 -19.557 -0.986
263 HB2 GLN 30 HB2 GLN 30 20.852 -17.358 -1.527
264 HB3 GLN 30 HB1 GLN 30 22.092 -18.076 -2.553
265 HG2 GLN 30 HG2 GLN 30 20.656 -18.443 -4.268
266 HG3 GLN 30 HG1 GLN 30 19.335 -18.899 -3.196
267 HE21 GLN 30 HE21 GLN 30 20.986 -15.834 -2.646
268 HE22 GLN 30 HE22 GLN 30 19.722 -14.847 -3.203
269 H LYS 31 HN LYS 31 23.054 -20.896 -1.722
270 HA LYS 31 HA LYS 31 21.938 -22.458 -3.962
271 HB2 LYS 31 HB2 LYS 31 24.697 -21.629 -3.169
272 HB3 LYS 31 HB1 LYS 31 24.494 -23.127 -4.079
273 HG2 LYS 31 HG2 LYS 31 24.851 -21.137 -5.551
274 HG3 LYS 31 HG1 LYS 31 23.310 -21.944 -5.850
275 HD2 LYS 31 HD2 LYS 31 22.073 -20.257 -4.792
276 HD3 LYS 31 HD1 LYS 31 23.467 -19.673 -3.882
277 HE2 LYS 31 HE2 LYS 31 24.485 -18.816 -5.942
278 HE3 LYS 31 HE1 LYS 31 23.133 -19.443 -6.887
279 HZ1 LYS 31 HZ1 LYS 31 23.194 -16.971 -6.013
280 HZ2 LYS 31 HZ2 LYS 31 22.508 -17.692 -4.637
281 HZ3 LYS 31 HZ3 LYS 31 21.741 -17.837 -6.146
282 H LYS 32 HN LYS 32 21.664 -22.805 -0.909
283 HA LYS 32 HA LYS 32 22.988 -24.925 0.157
284 HB2 LYS 32 HB2 LYS 32 20.509 -23.655 0.623
285 HB3 LYS 32 HB1 LYS 32 20.175 -25.386 0.560
286 HG2 LYS 32 HG2 LYS 32 21.958 -25.806 2.201
287 HG3 LYS 32 HG1 LYS 32 22.331 -24.083 2.251
288 HD2 LYS 32 HD2 LYS 32 19.507 -24.924 2.768
289 HD3 LYS 32 HD1 LYS 32 20.697 -25.185 4.043
290 HE2 LYS 32 HE2 LYS 32 21.334 -22.809 3.950
291 HE3 LYS 32 HE1 LYS 32 20.163 -22.539 2.659
292 HZ1 LYS 32 HZ1 LYS 32 18.816 -22.029 4.361
293 HZ2 LYS 32 HZ2 LYS 32 19.739 -22.883 5.503
294 HZ3 LYS 32 HZ3 LYS 32 18.638 -23.710 4.508
Start of MODEL 29
1 H1 LYS 1 HT1 LYS 1 21.756 13.725 -3.550
2 H2 LYS 1 HT2 LYS 1 20.361 12.756 -3.567
3 H3 LYS 1 HT3 LYS 1 20.837 13.588 -4.970
4 HA LYS 1 HA LYS 1 21.343 11.082 -4.776
5 HB2 LYS 1 HB2 LYS 1 22.173 12.750 -6.510
6 HB3 LYS 1 HB1 LYS 1 23.603 12.963 -5.500
7 HG2 LYS 1 HG2 LYS 1 23.923 10.448 -5.602
8 HG3 LYS 1 HG1 LYS 1 22.656 10.413 -6.829
9 HD2 LYS 1 HD2 LYS 1 24.177 12.352 -7.885
10 HD3 LYS 1 HD1 LYS 1 25.433 11.485 -7.002
11 HE2 LYS 1 HE2 LYS 1 24.704 9.371 -8.097
12 HE3 LYS 1 HE1 LYS 1 23.525 10.289 -9.033
13 HZ1 LYS 1 HZ1 LYS 1 26.314 9.976 -9.472
14 HZ2 LYS 1 HZ2 LYS 1 25.907 11.621 -9.347
15 HZ3 LYS 1 HZ3 LYS 1 25.135 10.637 -10.497
16 H LYS 2 HN LYS 2 23.141 13.430 -2.865
17 HA LYS 2 HA LYS 2 25.128 11.654 -1.892
18 HB2 LYS 2 HB2 LYS 2 25.433 14.063 -1.760
19 HB3 LYS 2 HB1 LYS 2 24.013 14.220 -0.728
20 HG2 LYS 2 HG2 LYS 2 26.150 14.281 0.558
21 HG3 LYS 2 HG1 LYS 2 25.109 12.951 1.048
22 HD2 LYS 2 HD2 LYS 2 26.461 11.339 0.006
23 HD3 LYS 2 HD1 LYS 2 27.184 12.520 -1.088
24 HE2 LYS 2 HE2 LYS 2 27.642 12.392 1.906
25 HE3 LYS 2 HE1 LYS 2 28.777 11.842 0.674
26 HZ1 LYS 2 HZ1 LYS 2 28.498 14.406 1.692
27 HZ2 LYS 2 HZ2 LYS 2 27.938 14.468 0.089
28 HZ3 LYS 2 HZ3 LYS 2 29.504 13.902 0.425
29 H HIS 3 HN HIS 3 21.796 12.002 -1.195
30 HA HIS 3 HA HIS 3 20.404 11.013 0.332
31 HB2 HIS 3 HB2 HIS 3 21.563 9.013 -0.633
32 HB3 HIS 3 HB1 HIS 3 22.704 9.090 0.709
33 HD2 HIS 3 HD2 HIS 3 21.508 6.562 1.542
34 HE1 HIS 3 HE1 HIS 3 17.997 8.390 3.005
35 HE2 HIS 3 HE2 HIS 3 19.343 6.238 2.971
36 H THR 4 HN THR 4 22.139 9.404 2.507
37 HA THR 4 HA THR 4 22.344 11.715 4.346
38 HB THR 4 HB THR 4 20.600 10.238 5.091
39 HG1 THR 4 HG1 THR 4 21.407 9.779 7.074
40 HG21 THR 4 HG21 THR 4 22.342 8.232 3.957
41 HG22 THR 4 HG22 THR 4 20.648 8.092 4.423
42 HG23 THR 4 HG23 THR 4 21.912 7.793 5.611
43 H ILE 5 HN ILE 5 23.424 8.871 5.693
44 HA ILE 5 HA ILE 5 26.229 9.673 5.304
45 HB ILE 5 HB ILE 5 26.517 8.068 7.320
46 HG12 ILE 5 HG12 ILE 5 23.738 8.777 8.057
47 HG13 ILE 5 HG11 ILE 5 23.898 7.511 6.838
48 HG21 ILE 5 HG21 ILE 5 25.791 9.917 8.876
49 HG22 ILE 5 HG22 ILE 5 25.077 10.728 7.481
50 HG23 ILE 5 HG23 ILE 5 26.819 10.454 7.546
51 HD11 ILE 5 HD11 ILE 5 25.394 6.250 8.299
52 HD12 ILE 5 HD12 ILE 5 23.880 6.584 9.140
53 HD13 ILE 5 HD13 ILE 5 25.321 7.531 9.509
54 H TRP 6 HN TRP 6 23.923 7.154 4.742
55 HA TRP 6 HA TRP 6 25.381 4.860 4.483
56 HB2 TRP 6 HB2 TRP 6 22.942 5.909 3.360
57 HB3 TRP 6 HB1 TRP 6 23.810 4.969 2.146
58 HD1 TRP 6 HD1 TRP 6 22.608 2.715 2.167
59 HE1 TRP 6 HE1 TRP 6 22.077 0.941 3.953
60 HE3 TRP 6 HE3 TRP 6 24.053 5.236 6.356
61 HZ2 TRP 6 HZ2 TRP 6 22.246 0.631 6.785
62 HZ3 TRP 6 HZ3 TRP 6 23.858 4.181 8.590
63 HH2 TRP 6 HH2 TRP 6 22.956 1.881 8.812
64 H GLU 7 HN GLU 7 24.958 7.250 1.862
65 HA GLU 7 HA GLU 7 26.790 6.075 0.081
66 HB2 GLU 7 HB2 GLU 7 25.248 8.514 0.269
67 HB3 GLU 7 HB1 GLU 7 26.844 8.823 -0.416
68 HG2 GLU 7 HG2 GLU 7 25.002 6.612 -1.364
69 HG3 GLU 7 HG1 GLU 7 25.098 8.200 -2.123
70 H VAL 8 HN VAL 8 27.468 7.220 3.059
71 HA VAL 8 HA VAL 8 30.164 8.164 2.304
72 HB VAL 8 HB VAL 8 28.891 8.658 4.984
73 HG11 VAL 8 HG11 VAL 8 30.666 10.056 5.314
74 HG12 VAL 8 HG12 VAL 8 30.686 10.589 3.631
75 HG13 VAL 8 HG13 VAL 8 31.422 9.049 4.078
76 HG21 VAL 8 HG21 VAL 8 28.146 10.849 4.097
77 HG22 VAL 8 HG22 VAL 8 27.334 9.522 3.264
78 HG23 VAL 8 HG23 VAL 8 28.669 10.368 2.485
79 H ILE 9 HN ILE 9 28.306 6.019 4.394
80 HA ILE 9 HA ILE 9 30.815 4.670 5.162
81 HB ILE 9 HB ILE 9 29.997 5.366 7.192
82 HG12 ILE 9 HG12 ILE 9 29.793 2.690 6.817
83 HG13 ILE 9 HG11 ILE 9 29.460 3.479 8.345
84 HG21 ILE 9 HG21 ILE 9 27.508 5.419 7.706
85 HG22 ILE 9 HG22 ILE 9 27.251 5.109 5.986
86 HG23 ILE 9 HG23 ILE 9 28.096 6.564 6.508
87 HD11 ILE 9 HD11 ILE 9 27.276 3.050 6.302
88 HD12 ILE 9 HD12 ILE 9 27.112 3.415 8.015
89 HD13 ILE 9 HD13 ILE 9 27.685 1.830 7.502
90 H ALA 10 HN ALA 10 27.418 4.223 4.263
91 HA ALA 10 HA ALA 10 27.656 1.376 3.966
92 HB1 ALA 10 HB1 ALA 10 25.592 3.240 2.771
93 HB2 ALA 10 HB2 ALA 10 25.490 2.531 4.382
94 HB3 ALA 10 HB3 ALA 10 25.449 1.493 2.958
95 H GLY 11 HN GLY 11 26.988 3.859 1.481
96 HA2 GLY 11 HA2 GLY 11 27.595 2.333 -0.750
97 HA3 GLY 11 HA1 GLY 11 27.799 4.085 -0.670
98 H LEU 12 HN LEU 12 29.614 3.385 1.751
99 HA LEU 12 HA LEU 12 32.051 3.093 0.145
100 HB2 LEU 12 HB2 LEU 12 31.671 5.074 1.737
101 HB3 LEU 12 HB1 LEU 12 31.924 3.913 3.041
102 HG LEU 12 HG LEU 12 34.054 3.285 1.550
103 HD11 LEU 12 HD11 LEU 12 34.947 5.077 0.316
104 HD12 LEU 12 HD12 LEU 12 33.888 6.258 1.089
105 HD13 LEU 12 HD13 LEU 12 33.233 5.129 -0.098
106 HD21 LEU 12 HD21 LEU 12 35.359 4.853 2.971
107 HD22 LEU 12 HD22 LEU 12 34.117 4.010 3.897
108 HD23 LEU 12 HD23 LEU 12 33.864 5.683 3.403
109 H VAL 13 HN VAL 13 30.150 1.587 2.650
110 HA VAL 13 HA VAL 13 32.218 -0.514 2.944
111 HB VAL 13 HB VAL 13 30.011 0.237 4.876
112 HG11 VAL 13 HG11 VAL 13 31.949 -1.336 6.132
113 HG12 VAL 13 HG12 VAL 13 31.700 -2.116 4.570
114 HG13 VAL 13 HG13 VAL 13 30.333 -1.854 5.654
115 HG21 VAL 13 HG21 VAL 13 31.606 1.375 6.125
116 HG22 VAL 13 HG22 VAL 13 32.203 1.707 4.501
117 HG23 VAL 13 HG23 VAL 13 32.943 0.433 5.469
118 H ALA 14 HN ALA 14 28.668 -0.094 3.071
119 HA ALA 14 HA ALA 14 27.839 -2.684 2.859
120 HB1 ALA 14 HB1 ALA 14 26.346 -0.675 2.942
121 HB2 ALA 14 HB2 ALA 14 25.840 -1.882 1.760
122 HB3 ALA 14 HB3 ALA 14 26.670 -0.419 1.228
123 H LEU 15 HN LEU 15 28.999 -0.628 0.203
124 HA LEU 15 HA LEU 15 28.583 -2.593 -1.822
125 HB2 LEU 15 HB2 LEU 15 28.834 -0.155 -2.293
126 HB3 LEU 15 HB1 LEU 15 30.526 -0.265 -1.817
127 HG LEU 15 HG LEU 15 30.903 -1.954 -3.603
128 HD11 LEU 15 HD11 LEU 15 27.952 -1.589 -3.907
129 HD12 LEU 15 HD12 LEU 15 28.929 -3.044 -4.098
130 HD13 LEU 15 HD13 LEU 15 28.899 -1.828 -5.375
131 HD21 LEU 15 HD21 LEU 15 29.772 0.026 -5.341
132 HD22 LEU 15 HD22 LEU 15 31.460 -0.182 -4.873
133 HD23 LEU 15 HD23 LEU 15 30.394 0.834 -3.902
134 H LEU 16 HN LEU 16 31.176 -1.823 0.391
135 HA LEU 16 HA LEU 16 32.972 -3.778 -0.833
136 HB2 LEU 16 HB2 LEU 16 33.466 -2.180 1.677
137 HB3 LEU 16 HB1 LEU 16 34.655 -2.914 0.598
138 HG LEU 16 HG LEU 16 32.812 -0.600 -0.061
139 HD11 LEU 16 HD11 LEU 16 34.940 -0.266 1.375
140 HD12 LEU 16 HD12 LEU 16 34.757 0.751 -0.053
141 HD13 LEU 16 HD13 LEU 16 35.831 -0.646 -0.098
142 HD21 LEU 16 HD21 LEU 16 34.647 -2.305 -1.737
143 HD22 LEU 16 HD22 LEU 16 34.322 -0.630 -2.183
144 HD23 LEU 16 HD23 LEU 16 32.997 -1.790 -2.082
145 H THR 17 HN THR 17 30.387 -3.949 1.116
146 HA THR 17 HA THR 17 31.481 -6.214 2.670
147 HB THR 17 HB THR 17 29.650 -3.999 3.465
148 HG1 THR 17 HG1 THR 17 31.220 -5.409 5.238
149 HG21 THR 17 HG21 THR 17 29.448 -6.869 4.372
150 HG22 THR 17 HG22 THR 17 28.149 -5.782 3.883
151 HG23 THR 17 HG23 THR 17 28.973 -5.537 5.423
152 H PHE 18 HN PHE 18 28.326 -4.901 1.634
153 HA PHE 18 HA PHE 18 26.829 -7.189 1.634
154 HB2 PHE 18 HB2 PHE 18 26.217 -4.750 0.940
155 HB3 PHE 18 HB1 PHE 18 26.611 -5.299 -0.690
156 HD1 PHE 18 HD1 PHE 18 24.383 -5.813 2.220
157 HD2 PHE 18 HD2 PHE 18 25.222 -6.900 -1.850
158 HE1 PHE 18 HE1 PHE 18 22.171 -6.920 2.058
159 HE2 PHE 18 HE2 PHE 18 23.010 -8.007 -2.011
160 HZ PHE 18 HZ PHE 18 21.483 -8.017 -0.057
161 H LEU 19 HN LEU 19 29.074 -6.108 -0.889
162 HA LEU 19 HA LEU 19 28.494 -8.305 -2.652
163 HB2 LEU 19 HB2 LEU 19 30.596 -6.152 -2.573
164 HB3 LEU 19 HB1 LEU 19 30.698 -7.466 -3.740
165 HG LEU 19 HG LEU 19 29.513 -5.407 -4.600
166 HD11 LEU 19 HD11 LEU 19 28.328 -6.759 -5.970
167 HD12 LEU 19 HD12 LEU 19 27.307 -7.320 -4.649
168 HD13 LEU 19 HD13 LEU 19 28.856 -8.101 -4.956
169 HD21 LEU 19 HD21 LEU 19 27.394 -4.780 -3.720
170 HD22 LEU 19 HD22 LEU 19 28.427 -5.004 -2.309
171 HD23 LEU 19 HD23 LEU 19 27.270 -6.254 -2.763
172 H ALA 20 HN ALA 20 30.430 -7.913 0.133
173 HA ALA 20 HA ALA 20 32.229 -10.109 -0.577
174 HB1 ALA 20 HB1 ALA 20 32.446 -7.848 1.090
175 HB2 ALA 20 HB2 ALA 20 33.633 -9.135 0.875
176 HB3 ALA 20 HB3 ALA 20 32.438 -9.243 2.168
177 H PHE 21 HN PHE 21 29.809 -9.309 1.903
178 HA PHE 21 HA PHE 21 29.783 -11.974 2.989
179 HB2 PHE 21 HB2 PHE 21 28.062 -9.528 3.406
180 HB3 PHE 21 HB1 PHE 21 27.730 -11.067 4.203
181 HD1 PHE 21 HD2 PHE 21 30.608 -8.744 3.547
182 HD2 PHE 21 HD1 PHE 21 28.709 -11.453 6.288
183 HE1 PHE 21 HE2 PHE 21 32.334 -8.230 5.250
184 HE2 PHE 21 HE1 PHE 21 30.434 -10.938 7.992
185 HZ PHE 21 HZ PHE 21 32.245 -9.326 7.471
186 H GLY 22 HN GLY 22 27.671 -10.013 0.923
187 HA2 GLY 22 HA2 GLY 22 25.557 -11.796 0.585
188 HA3 GLY 22 HA1 GLY 22 26.076 -10.622 -0.623
189 H PHE 23 HN PHE 23 28.567 -11.476 -1.292
190 HA PHE 23 HA PHE 23 28.234 -13.349 -3.244
191 HB2 PHE 23 HB2 PHE 23 30.460 -12.104 -1.963
192 HB3 PHE 23 HB1 PHE 23 30.820 -13.818 -2.150
193 HD1 PHE 23 HD2 PHE 23 29.201 -11.049 -4.100
194 HD2 PHE 23 HD1 PHE 23 31.768 -14.493 -4.170
195 HE1 PHE 23 HE2 PHE 23 29.598 -10.706 -6.523
196 HE2 PHE 23 HE1 PHE 23 32.163 -14.150 -6.593
197 HZ PHE 23 HZ PHE 23 31.075 -12.260 -7.770
198 H TRP 24 HN TRP 24 29.935 -14.170 -0.229
199 HA TRP 24 HA TRP 24 29.768 -16.932 -0.476
200 HB2 TRP 24 HB2 TRP 24 31.224 -16.095 1.189
201 HB3 TRP 24 HB1 TRP 24 29.944 -15.144 1.944
202 HD1 TRP 24 HD1 TRP 24 30.662 -18.871 1.192
203 HE1 TRP 24 HE1 TRP 24 29.765 -20.275 3.160
204 HE3 TRP 24 HE3 TRP 24 28.644 -15.172 4.056
205 HZ2 TRP 24 HZ2 TRP 24 28.375 -19.877 5.623
206 HZ3 TRP 24 HZ3 TRP 24 27.535 -15.706 6.212
207 HH2 TRP 24 HH2 TRP 24 27.400 -18.053 6.997
208 H LEU 25 HN LEU 25 27.802 -15.025 1.791
209 HA LEU 25 HA LEU 25 25.966 -16.610 2.765
210 HB2 LEU 25 HB2 LEU 25 25.674 -13.930 1.531
211 HB3 LEU 25 HB1 LEU 25 24.181 -14.797 1.893
212 HG LEU 25 HG LEU 25 26.359 -14.660 3.946
213 HD11 LEU 25 HD11 LEU 25 25.325 -12.602 4.847
214 HD12 LEU 25 HD12 LEU 25 24.245 -12.543 3.454
215 HD13 LEU 25 HD13 LEU 25 25.983 -12.332 3.232
216 HD21 LEU 25 HD21 LEU 25 24.016 -15.989 3.907
217 HD22 LEU 25 HD22 LEU 25 23.451 -14.447 4.547
218 HD23 LEU 25 HD23 LEU 25 24.709 -15.347 5.395
219 H PHE 26 HN PHE 26 25.131 -15.243 -0.421
220 HA PHE 26 HA PHE 26 23.154 -17.199 -0.902
221 HB2 PHE 26 HB2 PHE 26 24.557 -15.626 -3.053
222 HB3 PHE 26 HB1 PHE 26 22.891 -16.201 -3.030
223 HD1 PHE 26 HD1 PHE 26 21.653 -15.445 -0.674
224 HD2 PHE 26 HD2 PHE 26 24.768 -13.323 -2.737
225 HE1 PHE 26 HE1 PHE 26 20.930 -13.338 0.404
226 HE2 PHE 26 HE2 PHE 26 24.045 -11.213 -1.654
227 HZ PHE 26 HZ PHE 26 22.127 -11.220 -0.083
228 H LYS 27 HN LYS 27 26.420 -16.821 -2.291
229 HA LYS 27 HA LYS 27 26.315 -19.160 -3.860
230 HB2 LYS 27 HB2 LYS 27 28.705 -17.687 -2.731
231 HB3 LYS 27 HB1 LYS 27 28.776 -18.922 -3.991
232 HG2 LYS 27 HG2 LYS 27 27.385 -17.576 -5.462
233 HG3 LYS 27 HG1 LYS 27 27.136 -16.378 -4.194
234 HD2 LYS 27 HD2 LYS 27 29.223 -15.471 -4.446
235 HD3 LYS 27 HD1 LYS 27 29.956 -17.016 -4.885
236 HE2 LYS 27 HE2 LYS 27 29.662 -15.175 -6.729
237 HE3 LYS 27 HE1 LYS 27 29.279 -16.852 -7.121
238 HZ1 LYS 27 HZ1 LYS 27 27.601 -14.888 -7.585
239 HZ2 LYS 27 HZ2 LYS 27 27.149 -15.212 -5.980
240 HZ3 LYS 27 HZ3 LYS 27 27.066 -16.439 -7.153
241 H TYR 28 HN TYR 28 25.779 -19.297 -0.767
242 HA TYR 28 HA TYR 28 27.161 -21.870 -0.457
243 HB2 TYR 28 HB2 TYR 28 28.560 -21.018 1.074
244 HB3 TYR 28 HB1 TYR 28 27.698 -19.486 1.117
245 HD1 TYR 28 HD1 TYR 28 27.256 -23.046 2.202
246 HD2 TYR 28 HD2 TYR 28 26.596 -18.893 3.082
247 HE1 TYR 28 HE1 TYR 28 26.275 -23.666 4.396
248 HE2 TYR 28 HE2 TYR 28 25.614 -19.513 5.274
249 HH TYR 28 HH TYR 28 25.167 -21.165 6.685
250 H LEU 29 HN LEU 29 24.734 -19.626 0.888
251 HA LEU 29 HA LEU 29 23.266 -21.856 2.059
252 HB2 LEU 29 HB2 LEU 29 23.473 -19.098 2.610
253 HB3 LEU 29 HB1 LEU 29 21.810 -19.371 2.094
254 HG LEU 29 HG LEU 29 23.255 -20.974 4.225
255 HD11 LEU 29 HD11 LEU 29 20.991 -19.591 5.234
256 HD12 LEU 29 HD12 LEU 29 21.939 -18.418 4.319
257 HD13 LEU 29 HD13 LEU 29 22.685 -19.319 5.638
258 HD21 LEU 29 HD21 LEU 29 21.575 -22.453 3.965
259 HD22 LEU 29 HD22 LEU 29 20.893 -21.470 2.668
260 HD23 LEU 29 HD23 LEU 29 20.415 -21.179 4.340
261 H GLN 30 HN GLN 30 22.844 -19.472 -0.535
262 HA GLN 30 HA GLN 30 20.284 -20.563 -1.331
263 HB2 GLN 30 HB2 GLN 30 20.555 -18.232 -1.695
264 HB3 GLN 30 HB1 GLN 30 22.112 -18.461 -2.483
265 HG2 GLN 30 HG2 GLN 30 21.155 -19.329 -4.435
266 HG3 GLN 30 HG1 GLN 30 19.622 -19.682 -3.635
267 HE21 GLN 30 HE21 GLN 30 20.823 -16.637 -2.649
268 HE22 GLN 30 HE22 GLN 30 19.895 -15.674 -3.692
269 H LYS 31 HN LYS 31 23.432 -21.558 -1.709
270 HA LYS 31 HA LYS 31 22.838 -22.938 -4.261
271 HB2 LYS 31 HB2 LYS 31 25.290 -21.651 -3.198
272 HB3 LYS 31 HB1 LYS 31 25.515 -23.176 -4.055
273 HG2 LYS 31 HG2 LYS 31 25.626 -21.187 -5.567
274 HG3 LYS 31 HG1 LYS 31 24.337 -22.309 -6.001
275 HD2 LYS 31 HD2 LYS 31 22.670 -20.867 -5.347
276 HD3 LYS 31 HD1 LYS 31 23.654 -20.139 -4.078
277 HE2 LYS 31 HE2 LYS 31 24.975 -18.941 -5.773
278 HE3 LYS 31 HE1 LYS 31 24.019 -19.685 -7.055
279 HZ1 LYS 31 HZ1 LYS 31 23.426 -17.330 -6.072
280 HZ2 LYS 31 HZ2 LYS 31 22.586 -18.272 -4.935
281 HZ3 LYS 31 HZ3 LYS 31 22.222 -18.406 -6.589
282 H LYS 32 HN LYS 32 22.445 -23.574 -1.235
283 HA LYS 32 HA LYS 32 24.004 -25.573 -0.268
284 HB2 LYS 32 HB2 LYS 32 21.364 -24.700 0.165
285 HB3 LYS 32 HB1 LYS 32 21.259 -26.443 -0.088
286 HG2 LYS 32 HG2 LYS 32 23.128 -26.724 1.577
287 HG3 LYS 32 HG1 LYS 32 23.011 -24.998 1.919
288 HD2 LYS 32 HD2 LYS 32 20.771 -27.020 2.237
289 HD3 LYS 32 HD1 LYS 32 21.701 -26.298 3.551
290 HE2 LYS 32 HE2 LYS 32 20.918 -24.036 2.365
291 HE3 LYS 32 HE1 LYS 32 19.600 -25.071 1.819
292 HZ1 LYS 32 HZ1 LYS 32 19.564 -23.825 4.141
293 HZ2 LYS 32 HZ2 LYS 32 20.344 -25.253 4.631
294 HZ3 LYS 32 HZ3 LYS 32 18.809 -25.325 3.905
Start of MODEL 30
1 H1 LYS 1 HT1 LYS 1 24.828 18.860 -1.356
2 H2 LYS 1 HT2 LYS 1 25.942 17.644 -0.949
3 H3 LYS 1 HT3 LYS 1 25.544 18.847 0.181
4 HA LYS 1 HA LYS 1 24.208 17.227 0.979
5 HB2 LYS 1 HB2 LYS 1 22.877 19.190 -0.169
6 HB3 LYS 1 HB1 LYS 1 22.380 17.930 -1.299
7 HG2 LYS 1 HG2 LYS 1 21.759 16.543 0.775
8 HG3 LYS 1 HG1 LYS 1 21.913 18.048 1.683
9 HD2 LYS 1 HD2 LYS 1 20.090 17.602 -0.701
10 HD3 LYS 1 HD1 LYS 1 19.576 17.688 0.985
11 HE2 LYS 1 HE2 LYS 1 19.206 19.882 0.312
12 HE3 LYS 1 HE1 LYS 1 20.854 20.002 0.929
13 HZ1 LYS 1 HZ1 LYS 1 20.189 20.856 -1.462
14 HZ2 LYS 1 HZ2 LYS 1 20.520 19.240 -1.868
15 HZ3 LYS 1 HZ3 LYS 1 21.719 20.199 -1.139
16 H LYS 2 HN LYS 2 24.033 15.068 0.913
17 HA LYS 2 HA LYS 2 23.499 13.687 -1.589
18 HB2 LYS 2 HB2 LYS 2 26.135 14.058 -0.903
19 HB3 LYS 2 HB1 LYS 2 25.791 12.497 -0.166
20 HG2 LYS 2 HG2 LYS 2 25.157 13.161 -3.064
21 HG3 LYS 2 HG1 LYS 2 26.640 12.372 -2.544
22 HD2 LYS 2 HD2 LYS 2 25.585 10.392 -2.577
23 HD3 LYS 2 HD1 LYS 2 24.493 10.963 -1.319
24 HE2 LYS 2 HE2 LYS 2 23.295 10.198 -3.376
25 HE3 LYS 2 HE1 LYS 2 22.977 11.886 -2.985
26 HZ1 LYS 2 HZ1 LYS 2 23.631 11.199 -5.390
27 HZ2 LYS 2 HZ2 LYS 2 25.213 11.228 -4.772
28 HZ3 LYS 2 HZ3 LYS 2 24.250 12.627 -4.719
29 H HIS 3 HN HIS 3 21.687 12.728 -0.841
30 HA HIS 3 HA HIS 3 20.281 11.531 0.562
31 HB2 HIS 3 HB2 HIS 3 21.637 9.828 -0.685
32 HB3 HIS 3 HB1 HIS 3 22.723 9.752 0.702
33 HD2 HIS 3 HD2 HIS 3 21.675 7.008 1.004
34 HE1 HIS 3 HE1 HIS 3 18.022 8.337 2.650
35 HE2 HIS 3 HE2 HIS 3 19.501 6.308 2.272
36 H THR 4 HN THR 4 22.154 9.701 2.456
37 HA THR 4 HA THR 4 22.087 11.623 4.707
38 HB THR 4 HB THR 4 20.431 9.929 5.100
39 HG1 THR 4 HG1 THR 4 22.242 10.422 6.715
40 HG21 THR 4 HG21 THR 4 22.295 8.279 3.659
41 HG22 THR 4 HG22 THR 4 20.625 7.927 4.103
42 HG23 THR 4 HG23 THR 4 21.932 7.522 5.211
43 H ILE 5 HN ILE 5 23.336 8.661 5.576
44 HA ILE 5 HA ILE 5 26.111 9.632 5.265
45 HB ILE 5 HB ILE 5 26.494 8.053 7.274
46 HG12 ILE 5 HG12 ILE 5 23.738 8.611 8.142
47 HG13 ILE 5 HG11 ILE 5 23.846 7.434 6.834
48 HG21 ILE 5 HG21 ILE 5 25.493 9.893 8.824
49 HG22 ILE 5 HG22 ILE 5 25.063 10.702 7.316
50 HG23 ILE 5 HG23 ILE 5 26.753 10.352 7.680
51 HD11 ILE 5 HD11 ILE 5 25.592 7.259 9.290
52 HD12 ILE 5 HD12 ILE 5 25.265 6.005 8.094
53 HD13 ILE 5 HD13 ILE 5 23.999 6.501 9.217
54 H TRP 6 HN TRP 6 23.874 7.054 4.694
55 HA TRP 6 HA TRP 6 25.379 4.798 4.430
56 HB2 TRP 6 HB2 TRP 6 22.956 5.819 3.233
57 HB3 TRP 6 HB1 TRP 6 23.878 4.885 2.054
58 HD1 TRP 6 HD1 TRP 6 22.695 2.615 2.053
59 HE1 TRP 6 HE1 TRP 6 22.139 0.844 3.837
60 HE3 TRP 6 HE3 TRP 6 23.994 5.180 6.263
61 HZ2 TRP 6 HZ2 TRP 6 22.235 0.557 6.675
62 HZ3 TRP 6 HZ3 TRP 6 23.753 4.136 8.498
63 HH2 TRP 6 HH2 TRP 6 22.874 1.829 8.711
64 H GLU 7 HN GLU 7 24.886 7.053 1.705
65 HA GLU 7 HA GLU 7 26.788 5.989 -0.005
66 HB2 GLU 7 HB2 GLU 7 25.328 8.497 0.249
67 HB3 GLU 7 HB1 GLU 7 26.913 8.709 -0.496
68 HG2 GLU 7 HG2 GLU 7 24.957 6.568 -1.362
69 HG3 GLU 7 HG1 GLU 7 25.023 8.164 -2.107
70 H VAL 8 HN VAL 8 27.358 7.388 2.999
71 HA VAL 8 HA VAL 8 30.096 8.200 2.280
72 HB VAL 8 HB VAL 8 28.824 8.634 4.972
73 HG11 VAL 8 HG11 VAL 8 30.726 10.482 3.592
74 HG12 VAL 8 HG12 VAL 8 31.359 8.967 4.238
75 HG13 VAL 8 HG13 VAL 8 30.561 10.120 5.311
76 HG21 VAL 8 HG21 VAL 8 28.658 10.428 2.527
77 HG22 VAL 8 HG22 VAL 8 28.114 10.856 4.148
78 HG23 VAL 8 HG23 VAL 8 27.300 9.571 3.257
79 H ILE 9 HN ILE 9 28.266 6.034 4.395
80 HA ILE 9 HA ILE 9 30.789 4.684 5.108
81 HB ILE 9 HB ILE 9 29.946 5.338 7.144
82 HG12 ILE 9 HG12 ILE 9 29.822 2.659 6.720
83 HG13 ILE 9 HG11 ILE 9 29.487 3.414 8.264
84 HG21 ILE 9 HG21 ILE 9 27.461 5.310 7.657
85 HG22 ILE 9 HG22 ILE 9 27.209 5.003 5.937
86 HG23 ILE 9 HG23 ILE 9 28.007 6.483 6.467
87 HD11 ILE 9 HD11 ILE 9 27.748 1.730 7.422
88 HD12 ILE 9 HD12 ILE 9 27.291 2.949 6.240
89 HD13 ILE 9 HD13 ILE 9 27.137 3.293 7.958
90 H ALA 10 HN ALA 10 27.387 4.162 4.240
91 HA ALA 10 HA ALA 10 27.664 1.337 3.897
92 HB1 ALA 10 HB1 ALA 10 25.476 1.454 2.834
93 HB2 ALA 10 HB2 ALA 10 25.613 3.206 2.686
94 HB3 ALA 10 HB3 ALA 10 25.484 2.462 4.281
95 H GLY 11 HN GLY 11 27.013 3.814 1.399
96 HA2 GLY 11 HA2 GLY 11 27.675 2.287 -0.817
97 HA3 GLY 11 HA1 GLY 11 27.853 4.041 -0.742
98 H LEU 12 HN LEU 12 29.644 3.367 1.710
99 HA LEU 12 HA LEU 12 32.104 3.101 0.135
100 HB2 LEU 12 HB2 LEU 12 31.698 5.093 1.692
101 HB3 LEU 12 HB1 LEU 12 31.918 3.954 3.019
102 HG LEU 12 HG LEU 12 34.083 3.309 1.568
103 HD11 LEU 12 HD11 LEU 12 33.356 5.123 -0.112
104 HD12 LEU 12 HD12 LEU 12 35.035 5.163 0.429
105 HD13 LEU 12 HD13 LEU 12 33.860 6.288 1.113
106 HD21 LEU 12 HD21 LEU 12 34.167 3.972 3.903
107 HD22 LEU 12 HD22 LEU 12 33.797 5.644 3.484
108 HD23 LEU 12 HD23 LEU 12 35.343 4.939 3.015
109 H VAL 13 HN VAL 13 30.182 1.585 2.610
110 HA VAL 13 HA VAL 13 32.263 -0.498 2.939
111 HB VAL 13 HB VAL 13 30.069 0.286 4.873
112 HG11 VAL 13 HG11 VAL 13 30.488 -2.058 5.100
113 HG12 VAL 13 HG12 VAL 13 31.411 -1.273 6.380
114 HG13 VAL 13 HG13 VAL 13 32.228 -1.833 4.920
115 HG21 VAL 13 HG21 VAL 13 31.701 1.390 6.127
116 HG22 VAL 13 HG22 VAL 13 32.227 1.764 4.486
117 HG23 VAL 13 HG23 VAL 13 33.021 0.481 5.395
118 H ALA 14 HN ALA 14 28.714 -0.079 3.075
119 HA ALA 14 HA ALA 14 27.895 -2.676 2.892
120 HB1 ALA 14 HB1 ALA 14 25.895 -1.880 1.747
121 HB2 ALA 14 HB2 ALA 14 26.720 -0.390 1.292
122 HB3 ALA 14 HB3 ALA 14 26.367 -0.720 2.988
123 H LEU 15 HN LEU 15 29.041 -0.631 0.226
124 HA LEU 15 HA LEU 15 28.616 -2.596 -1.795
125 HB2 LEU 15 HB2 LEU 15 28.869 -0.160 -2.267
126 HB3 LEU 15 HB1 LEU 15 30.561 -0.270 -1.790
127 HG LEU 15 HG LEU 15 30.939 -1.955 -3.578
128 HD11 LEU 15 HD11 LEU 15 28.965 -3.045 -4.071
129 HD12 LEU 15 HD12 LEU 15 28.941 -1.833 -5.352
130 HD13 LEU 15 HD13 LEU 15 27.990 -1.586 -3.888
131 HD21 LEU 15 HD21 LEU 15 30.354 -0.292 -5.522
132 HD22 LEU 15 HD22 LEU 15 31.519 0.195 -4.293
133 HD23 LEU 15 HD23 LEU 15 29.857 0.777 -4.212
134 H LEU 16 HN LEU 16 31.213 -1.838 0.417
135 HA LEU 16 HA LEU 16 33.011 -3.782 -0.817
136 HB2 LEU 16 HB2 LEU 16 33.489 -2.220 1.718
137 HB3 LEU 16 HB1 LEU 16 34.685 -2.942 0.639
138 HG LEU 16 HG LEU 16 32.860 -0.608 0.005
139 HD11 LEU 16 HD11 LEU 16 34.964 -0.283 1.448
140 HD12 LEU 16 HD12 LEU 16 34.835 0.717 0.002
141 HD13 LEU 16 HD13 LEU 16 35.880 -0.703 0.001
142 HD21 LEU 16 HD21 LEU 16 34.369 -0.617 -2.117
143 HD22 LEU 16 HD22 LEU 16 33.037 -1.773 -2.034
144 HD23 LEU 16 HD23 LEU 16 34.685 -2.302 -1.694
145 H THR 17 HN THR 17 30.436 -3.918 1.200
146 HA THR 17 HA THR 17 31.516 -6.224 2.701
147 HB THR 17 HB THR 17 29.685 -4.014 3.512
148 HG1 THR 17 HG1 THR 17 32.012 -4.509 4.101
149 HG21 THR 17 HG21 THR 17 28.182 -5.799 3.913
150 HG22 THR 17 HG22 THR 17 29.003 -5.567 5.455
151 HG23 THR 17 HG23 THR 17 29.480 -6.891 4.396
152 H PHE 18 HN PHE 18 28.363 -4.902 1.673
153 HA PHE 18 HA PHE 18 26.867 -7.188 1.657
154 HB2 PHE 18 HB2 PHE 18 26.257 -4.744 0.981
155 HB3 PHE 18 HB1 PHE 18 26.647 -5.284 -0.655
156 HD1 PHE 18 HD2 PHE 18 24.419 -5.797 2.253
157 HD2 PHE 18 HD1 PHE 18 25.260 -6.891 -1.814
158 HE1 PHE 18 HE2 PHE 18 22.206 -6.901 2.093
159 HE2 PHE 18 HE1 PHE 18 23.047 -7.995 -1.975
160 HZ PHE 18 HZ PHE 18 21.517 -8.000 -0.022
161 H LEU 19 HN LEU 19 29.112 -6.095 -0.859
162 HA LEU 19 HA LEU 19 28.527 -8.278 -2.637
163 HB2 LEU 19 HB2 LEU 19 30.630 -6.127 -2.543
164 HB3 LEU 19 HB1 LEU 19 30.738 -7.438 -3.714
165 HG LEU 19 HG LEU 19 29.550 -5.373 -4.565
166 HD11 LEU 19 HD11 LEU 19 27.350 -7.283 -4.653
167 HD12 LEU 19 HD12 LEU 19 28.900 -8.072 -4.935
168 HD13 LEU 19 HD13 LEU 19 28.397 -6.726 -5.957
169 HD21 LEU 19 HD21 LEU 19 28.448 -4.989 -2.280
170 HD22 LEU 19 HD22 LEU 19 27.305 -6.250 -2.743
171 HD23 LEU 19 HD23 LEU 19 27.418 -4.770 -3.695
172 H ALA 20 HN ALA 20 30.465 -7.913 0.151
173 HA ALA 20 HA ALA 20 32.255 -10.112 -0.576
174 HB1 ALA 20 HB1 ALA 20 32.483 -7.864 1.110
175 HB2 ALA 20 HB2 ALA 20 33.666 -9.150 0.881
176 HB3 ALA 20 HB3 ALA 20 32.474 -9.269 2.175
177 H PHE 21 HN PHE 21 29.840 -9.317 1.908
178 HA PHE 21 HA PHE 21 29.803 -11.986 2.983
179 HB2 PHE 21 HB2 PHE 21 28.090 -9.535 3.410
180 HB3 PHE 21 HB1 PHE 21 27.755 -11.076 4.200
181 HD1 PHE 21 HD2 PHE 21 30.643 -8.764 3.553
182 HD2 PHE 21 HD1 PHE 21 28.726 -11.465 6.288
183 HE1 PHE 21 HE2 PHE 21 32.366 -8.256 5.260
184 HE2 PHE 21 HE1 PHE 21 30.449 -10.954 7.997
185 HZ PHE 21 HZ PHE 21 32.268 -9.350 7.482
186 H GLY 22 HN GLY 22 27.671 -9.997 0.959
187 HA2 GLY 22 HA2 GLY 22 25.560 -11.770 0.600
188 HA3 GLY 22 HA1 GLY 22 26.086 -10.594 -0.602
189 H PHE 23 HN PHE 23 28.576 -11.460 -1.268
190 HA PHE 23 HA PHE 23 28.233 -13.319 -3.233
191 HB2 PHE 23 HB2 PHE 23 30.461 -12.084 -1.952
192 HB3 PHE 23 HB1 PHE 23 30.819 -13.799 -2.139
193 HD1 PHE 23 HD1 PHE 23 29.189 -11.036 -4.090
194 HD2 PHE 23 HD2 PHE 23 31.780 -14.463 -4.157
195 HE1 PHE 23 HE1 PHE 23 29.582 -10.692 -6.513
196 HE2 PHE 23 HE2 PHE 23 32.172 -14.118 -6.579
197 HZ PHE 23 HZ PHE 23 31.070 -12.237 -7.758
198 H TRP 24 HN TRP 24 29.933 -14.167 -0.224
199 HA TRP 24 HA TRP 24 29.759 -16.924 -0.490
200 HB2 TRP 24 HB2 TRP 24 31.214 -16.100 1.183
201 HB3 TRP 24 HB1 TRP 24 29.933 -15.157 1.945
202 HD1 TRP 24 HD1 TRP 24 30.667 -18.874 1.170
203 HE1 TRP 24 HE1 TRP 24 29.760 -20.297 3.122
204 HE3 TRP 24 HE3 TRP 24 28.604 -15.206 4.039
205 HZ2 TRP 24 HZ2 TRP 24 28.347 -19.922 5.575
206 HZ3 TRP 24 HZ3 TRP 24 27.480 -15.760 6.182
207 HH2 TRP 24 HH2 TRP 24 27.350 -18.113 6.951
208 H LEU 25 HN LEU 25 27.780 -15.012 1.762
209 HA LEU 25 HA LEU 25 25.941 -16.605 2.725
210 HB2 LEU 25 HB2 LEU 25 25.664 -13.919 1.509
211 HB3 LEU 25 HB1 LEU 25 24.164 -14.785 1.848
212 HG LEU 25 HG LEU 25 26.330 -14.657 3.920
213 HD11 LEU 25 HD11 LEU 25 25.945 -12.328 3.240
214 HD12 LEU 25 HD12 LEU 25 25.249 -12.622 4.834
215 HD13 LEU 25 HD13 LEU 25 24.205 -12.554 3.414
216 HD21 LEU 25 HD21 LEU 25 23.426 -14.469 4.532
217 HD22 LEU 25 HD22 LEU 25 24.688 -15.398 5.343
218 HD23 LEU 25 HD23 LEU 25 23.979 -15.996 3.843
219 H PHE 26 HN PHE 26 25.125 -15.216 -0.456
220 HA PHE 26 HA PHE 26 23.155 -17.172 -0.957
221 HB2 PHE 26 HB2 PHE 26 24.561 -15.575 -3.088
222 HB3 PHE 26 HB1 PHE 26 22.898 -16.165 -3.086
223 HD1 PHE 26 HD2 PHE 26 21.621 -15.441 -0.751
224 HD2 PHE 26 HD1 PHE 26 24.762 -13.278 -2.730
225 HE1 PHE 26 HE2 PHE 26 20.876 -13.354 0.347
226 HE2 PHE 26 HE1 PHE 26 24.014 -11.188 -1.628
227 HZ PHE 26 HZ PHE 26 22.073 -11.225 -0.088
228 H LYS 27 HN LYS 27 26.470 -16.810 -2.214
229 HA LYS 27 HA LYS 27 26.351 -19.157 -3.813
230 HB2 LYS 27 HB2 LYS 27 28.740 -17.648 -2.731
231 HB3 LYS 27 HB1 LYS 27 28.804 -18.894 -3.981
232 HG2 LYS 27 HG2 LYS 27 27.408 -17.570 -5.457
233 HG3 LYS 27 HG1 LYS 27 27.135 -16.371 -4.192
234 HD2 LYS 27 HD2 LYS 27 29.212 -15.435 -4.437
235 HD3 LYS 27 HD1 LYS 27 29.965 -16.968 -4.877
236 HE2 LYS 27 HE2 LYS 27 29.649 -15.129 -6.719
237 HE3 LYS 27 HE1 LYS 27 29.294 -16.812 -7.112
238 HZ1 LYS 27 HZ1 LYS 27 27.074 -16.436 -7.153
239 HZ2 LYS 27 HZ2 LYS 27 27.584 -14.871 -7.577
240 HZ3 LYS 27 HZ3 LYS 27 27.130 -15.216 -5.977
241 H TYR 28 HN TYR 28 25.617 -19.450 -0.908
242 HA TYR 28 HA TYR 28 27.077 -21.925 -0.477
243 HB2 TYR 28 HB2 TYR 28 28.506 -21.050 1.020
244 HB3 TYR 28 HB1 TYR 28 27.644 -19.518 1.062
245 HD1 TYR 28 HD1 TYR 28 27.216 -23.069 2.180
246 HD2 TYR 28 HD2 TYR 28 26.559 -18.909 3.031
247 HE1 TYR 28 HE1 TYR 28 26.250 -23.673 4.383
248 HE2 TYR 28 HE2 TYR 28 25.591 -19.515 5.235
249 HH TYR 28 HH TYR 28 25.073 -22.896 6.148
250 H LEU 29 HN LEU 29 24.703 -19.621 0.854
251 HA LEU 29 HA LEU 29 23.210 -21.801 2.080
252 HB2 LEU 29 HB2 LEU 29 23.485 -19.054 2.604
253 HB3 LEU 29 HB1 LEU 29 21.820 -19.267 2.065
254 HG LEU 29 HG LEU 29 23.170 -20.897 4.237
255 HD11 LEU 29 HD11 LEU 29 22.771 -18.591 4.959
256 HD12 LEU 29 HD12 LEU 29 21.619 -19.670 5.745
257 HD13 LEU 29 HD13 LEU 29 21.107 -18.678 4.379
258 HD21 LEU 29 HD21 LEU 29 21.468 -22.336 3.894
259 HD22 LEU 29 HD22 LEU 29 20.777 -21.283 2.658
260 HD23 LEU 29 HD23 LEU 29 20.350 -21.051 4.353
261 H GLN 30 HN GLN 30 22.741 -19.400 -0.497
262 HA GLN 30 HA GLN 30 20.183 -20.467 -1.277
263 HB2 GLN 30 HB2 GLN 30 20.497 -18.174 -1.751
264 HB3 GLN 30 HB1 GLN 30 22.079 -18.455 -2.464
265 HG2 GLN 30 HG2 GLN 30 21.186 -19.385 -4.420
266 HG3 GLN 30 HG1 GLN 30 19.604 -19.649 -3.677
267 HE21 GLN 30 HE21 GLN 30 20.881 -16.616 -2.751
268 HE22 GLN 30 HE22 GLN 30 20.040 -15.659 -3.870
269 H LYS 31 HN LYS 31 23.264 -21.600 -1.557
270 HA LYS 31 HA LYS 31 22.734 -22.990 -4.110
271 HB2 LYS 31 HB2 LYS 31 25.150 -21.858 -2.880
272 HB3 LYS 31 HB1 LYS 31 25.367 -23.503 -3.474
273 HG2 LYS 31 HG2 LYS 31 25.894 -21.914 -5.254
274 HG3 LYS 31 HG1 LYS 31 24.430 -22.800 -5.675
275 HD2 LYS 31 HD2 LYS 31 23.610 -20.535 -4.164
276 HD3 LYS 31 HD1 LYS 31 24.782 -19.963 -5.350
277 HE2 LYS 31 HE2 LYS 31 23.496 -21.227 -7.118
278 HE3 LYS 31 HE1 LYS 31 22.257 -21.543 -5.902
279 HZ1 LYS 31 HZ1 LYS 31 22.696 -19.203 -7.424
280 HZ2 LYS 31 HZ2 LYS 31 22.820 -18.839 -5.769
281 HZ3 LYS 31 HZ3 LYS 31 21.412 -19.570 -6.378
282 H LYS 32 HN LYS 32 24.186 -23.480 -0.896
283 HA LYS 32 HA LYS 32 24.431 -25.369 0.393
284 HB2 LYS 32 HB2 LYS 32 21.700 -25.043 -0.329
285 HB3 LYS 32 HB1 LYS 32 22.049 -26.772 -0.339
286 HG2 LYS 32 HG2 LYS 32 22.971 -26.634 1.919
287 HG3 LYS 32 HG1 LYS 32 22.734 -24.886 1.934
288 HD2 LYS 32 HD2 LYS 32 20.274 -26.227 1.209
289 HD3 LYS 32 HD1 LYS 32 20.883 -26.848 2.744
290 HE2 LYS 32 HE2 LYS 32 20.991 -24.622 3.679
291 HE3 LYS 32 HE1 LYS 32 20.612 -23.895 2.117
292 HZ1 LYS 32 HZ1 LYS 32 18.663 -23.993 3.530
293 HZ2 LYS 32 HZ2 LYS 32 18.826 -25.676 3.683
294 HZ3 LYS 32 HZ3 LYS 32 18.458 -24.989 2.173
Start of MODEL 31
1 H1 LYS 1 HT1 LYS 1 23.617 17.302 0.935
2 H2 LYS 1 HT2 LYS 1 23.795 16.750 -0.661
3 H3 LYS 1 HT3 LYS 1 23.761 15.641 0.625
4 HA LYS 1 HA LYS 1 21.462 16.307 1.119
5 HB2 LYS 1 HB2 LYS 1 21.633 18.565 0.104
6 HB3 LYS 1 HB1 LYS 1 21.764 17.824 -1.491
7 HG2 LYS 1 HG2 LYS 1 19.551 17.024 -1.438
8 HG3 LYS 1 HG1 LYS 1 19.438 17.187 0.315
9 HD2 LYS 1 HD2 LYS 1 19.068 19.467 0.220
10 HD3 LYS 1 HD1 LYS 1 19.948 19.654 -1.297
11 HE2 LYS 1 HE2 LYS 1 17.431 19.914 -1.486
12 HE3 LYS 1 HE1 LYS 1 18.137 18.708 -2.560
13 HZ1 LYS 1 HZ1 LYS 1 16.156 18.337 -0.640
14 HZ2 LYS 1 HZ2 LYS 1 17.534 17.506 -0.094
15 HZ3 LYS 1 HZ3 LYS 1 16.884 17.163 -1.625
16 H LYS 2 HN LYS 2 23.485 14.937 -1.155
17 HA LYS 2 HA LYS 2 21.787 13.740 -3.021
18 HB2 LYS 2 HB2 LYS 2 23.580 11.884 -2.993
19 HB3 LYS 2 HB1 LYS 2 24.092 13.513 -3.431
20 HG2 LYS 2 HG2 LYS 2 25.367 13.747 -1.567
21 HG3 LYS 2 HG1 LYS 2 24.167 12.969 -0.535
22 HD2 LYS 2 HD2 LYS 2 24.861 10.758 -1.391
23 HD3 LYS 2 HD1 LYS 2 26.068 11.535 -2.416
24 HE2 LYS 2 HE2 LYS 2 27.396 11.049 -0.594
25 HE3 LYS 2 HE1 LYS 2 26.794 12.626 -0.087
26 HZ1 LYS 2 HZ1 LYS 2 26.555 10.341 1.332
27 HZ2 LYS 2 HZ2 LYS 2 25.036 10.451 0.577
28 HZ3 LYS 2 HZ3 LYS 2 25.601 11.725 1.548
29 H HIS 3 HN HIS 3 22.564 12.813 0.290
30 HA HIS 3 HA HIS 3 20.169 11.268 0.536
31 HB2 HIS 3 HB2 HIS 3 21.677 9.702 -0.746
32 HB3 HIS 3 HB1 HIS 3 22.752 9.701 0.651
33 HD2 HIS 3 HD2 HIS 3 21.919 6.876 0.914
34 HE1 HIS 3 HE1 HIS 3 18.161 7.898 2.542
35 HE2 HIS 3 HE2 HIS 3 19.798 5.996 2.158
36 H THR 4 HN THR 4 22.146 9.586 2.417
37 HA THR 4 HA THR 4 22.080 11.553 4.631
38 HB THR 4 HB THR 4 20.420 9.869 5.074
39 HG1 THR 4 HG1 THR 4 21.185 9.846 7.008
40 HG21 THR 4 HG21 THR 4 21.948 7.477 5.255
41 HG22 THR 4 HG22 THR 4 22.265 8.182 3.669
42 HG23 THR 4 HG23 THR 4 20.611 7.826 4.165
43 H ILE 5 HN ILE 5 23.329 8.647 5.618
44 HA ILE 5 HA ILE 5 26.100 9.599 5.241
45 HB ILE 5 HB ILE 5 26.504 8.049 7.265
46 HG12 ILE 5 HG12 ILE 5 23.744 8.603 8.138
47 HG13 ILE 5 HG11 ILE 5 23.862 7.402 6.850
48 HG21 ILE 5 HG21 ILE 5 25.273 9.961 8.723
49 HG22 ILE 5 HG22 ILE 5 25.255 10.742 7.142
50 HG23 ILE 5 HG23 ILE 5 26.785 10.243 7.862
51 HD11 ILE 5 HD11 ILE 5 24.030 6.526 9.259
52 HD12 ILE 5 HD12 ILE 5 25.621 7.285 9.299
53 HD13 ILE 5 HD13 ILE 5 25.284 6.004 8.133
54 H TRP 6 HN TRP 6 23.860 7.034 4.686
55 HA TRP 6 HA TRP 6 25.368 4.767 4.451
56 HB2 TRP 6 HB2 TRP 6 22.926 5.764 3.287
57 HB3 TRP 6 HB1 TRP 6 23.831 4.837 2.091
58 HD1 TRP 6 HD1 TRP 6 22.684 2.555 2.105
59 HE1 TRP 6 HE1 TRP 6 22.162 0.780 3.895
60 HE3 TRP 6 HE3 TRP 6 23.995 5.138 6.300
61 HZ2 TRP 6 HZ2 TRP 6 22.282 0.498 6.732
62 HZ3 TRP 6 HZ3 TRP 6 23.781 4.094 8.539
63 HH2 TRP 6 HH2 TRP 6 22.927 1.778 8.761
64 H GLU 7 HN GLU 7 24.916 7.127 1.808
65 HA GLU 7 HA GLU 7 26.761 6.004 0.034
66 HB2 GLU 7 HB2 GLU 7 25.244 8.448 0.268
67 HB3 GLU 7 HB1 GLU 7 26.856 8.776 -0.368
68 HG2 GLU 7 HG2 GLU 7 25.022 6.614 -1.437
69 HG3 GLU 7 HG1 GLU 7 25.162 8.225 -2.143
70 H VAL 8 HN VAL 8 27.375 7.340 3.035
71 HA VAL 8 HA VAL 8 30.105 8.172 2.299
72 HB VAL 8 HB VAL 8 28.813 8.602 4.987
73 HG11 VAL 8 HG11 VAL 8 31.353 8.875 4.408
74 HG12 VAL 8 HG12 VAL 8 30.538 10.144 5.324
75 HG13 VAL 8 HG13 VAL 8 30.825 10.349 3.596
76 HG21 VAL 8 HG21 VAL 8 28.164 10.843 4.163
77 HG22 VAL 8 HG22 VAL 8 27.338 9.578 3.256
78 HG23 VAL 8 HG23 VAL 8 28.722 10.410 2.548
79 H ILE 9 HN ILE 9 28.273 6.009 4.415
80 HA ILE 9 HA ILE 9 30.791 4.650 5.125
81 HB ILE 9 HB ILE 9 29.952 5.302 7.163
82 HG12 ILE 9 HG12 ILE 9 29.808 2.624 6.736
83 HG13 ILE 9 HG11 ILE 9 29.479 3.380 8.280
84 HG21 ILE 9 HG21 ILE 9 27.468 5.292 7.677
85 HG22 ILE 9 HG22 ILE 9 27.213 4.990 5.956
86 HG23 ILE 9 HG23 ILE 9 28.023 6.462 6.487
87 HD11 ILE 9 HD11 ILE 9 27.129 3.279 7.977
88 HD12 ILE 9 HD12 ILE 9 27.725 1.711 7.437
89 HD13 ILE 9 HD13 ILE 9 27.278 2.936 6.257
90 H ALA 10 HN ALA 10 27.386 4.134 4.260
91 HA ALA 10 HA ALA 10 27.674 1.310 3.904
92 HB1 ALA 10 HB1 ALA 10 25.493 2.437 4.314
93 HB2 ALA 10 HB2 ALA 10 25.475 1.406 2.884
94 HB3 ALA 10 HB3 ALA 10 25.598 3.156 2.707
95 H GLY 11 HN GLY 11 27.007 3.814 1.438
96 HA2 GLY 11 HA2 GLY 11 27.651 2.301 -0.797
97 HA3 GLY 11 HA1 GLY 11 27.818 4.055 -0.711
98 H LEU 12 HN LEU 12 29.626 3.339 1.729
99 HA LEU 12 HA LEU 12 32.081 3.108 0.136
100 HB2 LEU 12 HB2 LEU 12 31.669 5.094 1.701
101 HB3 LEU 12 HB1 LEU 12 31.906 3.952 3.025
102 HG LEU 12 HG LEU 12 34.064 3.328 1.547
103 HD11 LEU 12 HD11 LEU 12 33.598 6.284 1.044
104 HD12 LEU 12 HD12 LEU 12 33.496 5.021 -0.183
105 HD13 LEU 12 HD13 LEU 12 35.040 5.371 0.598
106 HD21 LEU 12 HD21 LEU 12 35.330 4.923 3.014
107 HD22 LEU 12 HD22 LEU 12 34.138 3.968 3.897
108 HD23 LEU 12 HD23 LEU 12 33.793 5.648 3.485
109 H VAL 13 HN VAL 13 30.177 1.570 2.612
110 HA VAL 13 HA VAL 13 32.272 -0.501 2.928
111 HB VAL 13 HB VAL 13 30.083 0.260 4.876
112 HG11 VAL 13 HG11 VAL 13 32.044 -1.294 6.125
113 HG12 VAL 13 HG12 VAL 13 31.772 -2.092 4.575
114 HG13 VAL 13 HG13 VAL 13 30.422 -1.820 5.676
115 HG21 VAL 13 HG21 VAL 13 33.031 0.480 5.398
116 HG22 VAL 13 HG22 VAL 13 31.702 1.390 6.117
117 HG23 VAL 13 HG23 VAL 13 32.235 1.754 4.475
118 H ALA 14 HN ALA 14 28.724 -0.090 3.066
119 HA ALA 14 HA ALA 14 27.907 -2.690 2.888
120 HB1 ALA 14 HB1 ALA 14 25.914 -1.890 1.702
121 HB2 ALA 14 HB2 ALA 14 26.740 -0.380 1.313
122 HB3 ALA 14 HB3 ALA 14 26.357 -0.770 2.991
123 H LEU 15 HN LEU 15 29.062 -0.646 0.227
124 HA LEU 15 HA LEU 15 28.640 -2.611 -1.796
125 HB2 LEU 15 HB2 LEU 15 28.896 -0.174 -2.267
126 HB3 LEU 15 HB1 LEU 15 30.587 -0.287 -1.787
127 HG LEU 15 HG LEU 15 30.969 -1.971 -3.573
128 HD11 LEU 15 HD11 LEU 15 28.972 -1.848 -5.350
129 HD12 LEU 15 HD12 LEU 15 28.019 -1.607 -3.886
130 HD13 LEU 15 HD13 LEU 15 28.996 -3.061 -4.071
131 HD21 LEU 15 HD21 LEU 15 31.454 0.325 -4.118
132 HD22 LEU 15 HD22 LEU 15 29.747 0.677 -4.393
133 HD23 LEU 15 HD23 LEU 15 30.622 -0.374 -5.507
134 H LEU 16 HN LEU 16 31.234 -1.850 0.421
135 HA LEU 16 HA LEU 16 33.037 -3.792 -0.809
136 HB2 LEU 16 HB2 LEU 16 33.504 -2.249 1.740
137 HB3 LEU 16 HB1 LEU 16 34.702 -2.958 0.657
138 HG LEU 16 HG LEU 16 32.870 -0.625 0.036
139 HD11 LEU 16 HD11 LEU 16 34.853 0.705 0.040
140 HD12 LEU 16 HD12 LEU 16 35.894 -0.718 0.081
141 HD13 LEU 16 HD13 LEU 16 34.942 -0.278 1.500
142 HD21 LEU 16 HD21 LEU 16 34.727 -2.286 -1.664
143 HD22 LEU 16 HD22 LEU 16 34.390 -0.603 -2.076
144 HD23 LEU 16 HD23 LEU 16 33.074 -1.776 -2.011
145 H THR 17 HN THR 17 30.453 -3.928 1.203
146 HA THR 17 HA THR 17 31.521 -6.247 2.694
147 HB THR 17 HB THR 17 29.690 -4.039 3.511
148 HG1 THR 17 HG1 THR 17 31.796 -5.549 4.623
149 HG21 THR 17 HG21 THR 17 28.186 -5.825 3.900
150 HG22 THR 17 HG22 THR 17 29.006 -5.601 5.445
151 HG23 THR 17 HG23 THR 17 29.483 -6.921 4.379
152 H PHE 18 HN PHE 18 28.367 -4.914 1.681
153 HA PHE 18 HA PHE 18 26.871 -7.199 1.646
154 HB2 PHE 18 HB2 PHE 18 26.264 -4.751 0.971
155 HB3 PHE 18 HB1 PHE 18 26.651 -5.292 -0.663
156 HD1 PHE 18 HD1 PHE 18 24.426 -5.801 2.247
157 HD2 PHE 18 HD2 PHE 18 25.264 -6.902 -1.819
158 HE1 PHE 18 HE1 PHE 18 22.214 -6.910 2.091
159 HE2 PHE 18 HE2 PHE 18 23.054 -8.012 -1.974
160 HZ PHE 18 HZ PHE 18 21.527 -8.017 -0.021
161 H LEU 19 HN LEU 19 29.123 -6.104 -0.863
162 HA LEU 19 HA LEU 19 28.536 -8.292 -2.636
163 HB2 LEU 19 HB2 LEU 19 30.636 -6.137 -2.556
164 HB3 LEU 19 HB1 LEU 19 30.738 -7.449 -3.727
165 HG LEU 19 HG LEU 19 29.548 -5.390 -4.580
166 HD11 LEU 19 HD11 LEU 19 28.372 -6.742 -5.954
167 HD12 LEU 19 HD12 LEU 19 27.344 -7.301 -4.636
168 HD13 LEU 19 HD13 LEU 19 28.893 -8.084 -4.939
169 HD21 LEU 19 HD21 LEU 19 27.310 -6.247 -2.743
170 HD22 LEU 19 HD22 LEU 19 27.429 -4.769 -3.697
171 HD23 LEU 19 HD23 LEU 19 28.462 -4.996 -2.286
172 H ALA 20 HN ALA 20 30.507 -7.894 0.134
173 HA ALA 20 HA ALA 20 32.308 -10.081 -0.592
174 HB1 ALA 20 HB1 ALA 20 33.703 -9.114 0.876
175 HB2 ALA 20 HB2 ALA 20 32.506 -9.244 2.165
176 HB3 ALA 20 HB3 ALA 20 32.506 -7.837 1.101
177 H PHE 21 HN PHE 21 29.858 -9.339 1.879
178 HA PHE 21 HA PHE 21 29.870 -12.031 2.916
179 HB2 PHE 21 HB2 PHE 21 28.140 -9.607 3.428
180 HB3 PHE 21 HB1 PHE 21 27.858 -11.164 4.206
181 HD1 PHE 21 HD1 PHE 21 30.657 -8.760 3.526
182 HD2 PHE 21 HD2 PHE 21 28.919 -11.598 6.243
183 HE1 PHE 21 HE1 PHE 21 32.418 -8.243 5.190
184 HE2 PHE 21 HE2 PHE 21 30.682 -11.079 7.907
185 HZ PHE 21 HZ PHE 21 32.431 -9.403 7.380
186 H GLY 22 HN GLY 22 27.700 -10.009 0.960
187 HA2 GLY 22 HA2 GLY 22 25.583 -11.769 0.602
188 HA3 GLY 22 HA1 GLY 22 26.106 -10.594 -0.602
189 H PHE 23 HN PHE 23 28.578 -11.462 -1.301
190 HA PHE 23 HA PHE 23 28.220 -13.316 -3.263
191 HB2 PHE 23 HB2 PHE 23 30.464 -12.106 -1.988
192 HB3 PHE 23 HB1 PHE 23 30.801 -13.827 -2.164
193 HD1 PHE 23 HD1 PHE 23 29.436 -10.910 -4.078
194 HD2 PHE 23 HD2 PHE 23 31.523 -14.662 -4.233
195 HE1 PHE 23 HE1 PHE 23 29.835 -10.589 -6.504
196 HE2 PHE 23 HE2 PHE 23 31.921 -14.341 -6.658
197 HZ PHE 23 HZ PHE 23 31.074 -12.307 -7.794
198 H TRP 24 HN TRP 24 29.881 -14.177 -0.232
199 HA TRP 24 HA TRP 24 29.669 -16.938 -0.517
200 HB2 TRP 24 HB2 TRP 24 31.155 -16.152 1.143
201 HB3 TRP 24 HB1 TRP 24 29.902 -15.184 1.920
202 HD1 TRP 24 HD1 TRP 24 30.549 -18.915 1.126
203 HE1 TRP 24 HE1 TRP 24 29.629 -20.323 3.081
204 HE3 TRP 24 HE3 TRP 24 28.596 -15.211 4.027
205 HZ2 TRP 24 HZ2 TRP 24 28.247 -19.926 5.548
206 HZ3 TRP 24 HZ3 TRP 24 27.478 -15.747 6.176
207 HH2 TRP 24 HH2 TRP 24 27.303 -18.099 6.940
208 H LEU 25 HN LEU 25 27.761 -15.035 1.807
209 HA LEU 25 HA LEU 25 25.902 -16.591 2.765
210 HB2 LEU 25 HB2 LEU 25 25.621 -13.904 1.536
211 HB3 LEU 25 HB1 LEU 25 24.128 -14.757 1.931
212 HG LEU 25 HG LEU 25 26.323 -14.674 3.963
213 HD11 LEU 25 HD11 LEU 25 24.345 -12.434 3.448
214 HD12 LEU 25 HD12 LEU 25 26.090 -12.337 3.212
215 HD13 LEU 25 HD13 LEU 25 25.431 -12.542 4.834
216 HD21 LEU 25 HD21 LEU 25 24.381 -14.698 5.497
217 HD22 LEU 25 HD22 LEU 25 24.294 -16.033 4.350
218 HD23 LEU 25 HD23 LEU 25 23.292 -14.602 4.114
219 H PHE 26 HN PHE 26 25.171 -15.244 -0.464
220 HA PHE 26 HA PHE 26 23.147 -17.185 -0.926
221 HB2 PHE 26 HB2 PHE 26 24.537 -15.611 -3.085
222 HB3 PHE 26 HB1 PHE 26 22.865 -16.177 -3.042
223 HD1 PHE 26 HD2 PHE 26 21.648 -15.413 -0.691
224 HD2 PHE 26 HD1 PHE 26 24.778 -13.314 -2.752
225 HE1 PHE 26 HE2 PHE 26 20.953 -13.305 0.403
226 HE2 PHE 26 HE1 PHE 26 24.083 -11.203 -1.655
227 HZ PHE 26 HZ PHE 26 22.174 -11.198 -0.075
228 H LYS 27 HN LYS 27 26.421 -16.780 -2.301
229 HA LYS 27 HA LYS 27 26.318 -19.181 -3.813
230 HB2 LYS 27 HB2 LYS 27 28.722 -17.625 -2.831
231 HB3 LYS 27 HB1 LYS 27 28.745 -18.873 -4.078
232 HG2 LYS 27 HG2 LYS 27 27.277 -17.561 -5.498
233 HG3 LYS 27 HG1 LYS 27 27.068 -16.351 -4.231
234 HD2 LYS 27 HD2 LYS 27 29.109 -15.405 -4.609
235 HD3 LYS 27 HD1 LYS 27 29.867 -16.950 -4.996
236 HE2 LYS 27 HE2 LYS 27 29.513 -15.216 -6.918
237 HE3 LYS 27 HE1 LYS 27 29.120 -16.909 -7.220
238 HZ1 LYS 27 HZ1 LYS 27 27.432 -14.925 -7.692
239 HZ2 LYS 27 HZ2 LYS 27 27.000 -15.273 -6.086
240 HZ3 LYS 27 HZ3 LYS 27 26.922 -16.488 -7.271
241 H TYR 28 HN TYR 28 25.551 -19.548 -1.021
242 HA TYR 28 HA TYR 28 27.070 -21.937 -0.478
243 HB2 TYR 28 HB2 TYR 28 28.536 -20.970 0.943
244 HB3 TYR 28 HB1 TYR 28 27.620 -19.467 1.002
245 HD1 TYR 28 HD2 TYR 28 27.548 -22.994 2.221
246 HD2 TYR 28 HD1 TYR 28 26.332 -18.931 2.891
247 HE1 TYR 28 HE2 TYR 28 26.644 -23.633 4.444
248 HE2 TYR 28 HE1 TYR 28 25.429 -19.567 5.112
249 HH TYR 28 HH TYR 28 25.348 -21.192 6.666
250 H LEU 29 HN LEU 29 24.753 -19.546 0.741
251 HA LEU 29 HA LEU 29 23.247 -21.636 2.105
252 HB2 LEU 29 HB2 LEU 29 23.731 -19.202 2.954
253 HB3 LEU 29 HB1 LEU 29 22.366 -18.774 1.923
254 HG LEU 29 HG LEU 29 21.350 -20.943 3.214
255 HD11 LEU 29 HD11 LEU 29 23.087 -19.491 5.230
256 HD12 LEU 29 HD12 LEU 29 23.408 -21.113 4.614
257 HD13 LEU 29 HD13 LEU 29 21.961 -20.804 5.573
258 HD21 LEU 29 HD21 LEU 29 20.175 -19.290 4.647
259 HD22 LEU 29 HD22 LEU 29 20.266 -18.751 2.971
260 HD23 LEU 29 HD23 LEU 29 21.354 -18.065 4.177
261 H GLN 30 HN GLN 30 22.981 -19.494 -0.672
262 HA GLN 30 HA GLN 30 20.275 -20.407 -1.274
263 HB2 GLN 30 HB2 GLN 30 20.633 -18.111 -1.740
264 HB3 GLN 30 HB1 GLN 30 22.162 -18.431 -2.545
265 HG2 GLN 30 HG2 GLN 30 21.138 -19.300 -4.455
266 HG3 GLN 30 HG1 GLN 30 19.605 -19.578 -3.621
267 HE21 GLN 30 HE21 GLN 30 20.908 -16.554 -2.715
268 HE22 GLN 30 HE22 GLN 30 20.007 -15.586 -3.774
269 H LYS 31 HN LYS 31 23.287 -21.657 -1.624
270 HA LYS 31 HA LYS 31 22.672 -22.972 -4.199
271 HB2 LYS 31 HB2 LYS 31 25.147 -21.966 -2.980
272 HB3 LYS 31 HB1 LYS 31 25.290 -23.603 -3.618
273 HG2 LYS 31 HG2 LYS 31 25.851 -21.993 -5.366
274 HG3 LYS 31 HG1 LYS 31 24.347 -22.810 -5.785
275 HD2 LYS 31 HD2 LYS 31 23.648 -20.548 -4.203
276 HD3 LYS 31 HD1 LYS 31 24.817 -19.997 -5.404
277 HE2 LYS 31 HE2 LYS 31 23.443 -21.165 -7.169
278 HE3 LYS 31 HE1 LYS 31 22.220 -21.465 -5.934
279 HZ1 LYS 31 HZ1 LYS 31 22.647 -18.859 -5.601
280 HZ2 LYS 31 HZ2 LYS 31 21.451 -19.490 -6.631
281 HZ3 LYS 31 HZ3 LYS 31 22.946 -18.993 -7.265
282 H LYS 32 HN LYS 32 22.161 -23.508 -1.079
283 HA LYS 32 HA LYS 32 23.132 -26.280 -1.019
284 HB2 LYS 32 HB2 LYS 32 22.475 -26.260 1.332
285 HB3 LYS 32 HB1 LYS 32 23.493 -24.864 0.979
286 HG2 LYS 32 HG2 LYS 32 21.857 -23.573 1.839
287 HG3 LYS 32 HG1 LYS 32 20.886 -23.996 0.428
288 HD2 LYS 32 HD2 LYS 32 20.155 -26.074 1.676
289 HD3 LYS 32 HD1 LYS 32 20.943 -25.408 3.107
290 HE2 LYS 32 HE2 LYS 32 18.863 -24.508 3.456
291 HE3 LYS 32 HE1 LYS 32 19.483 -23.261 2.374
292 HZ1 LYS 32 HZ1 LYS 32 18.145 -23.913 0.719
293 HZ2 LYS 32 HZ2 LYS 32 17.228 -24.641 1.951
294 HZ3 LYS 32 HZ3 LYS 32 18.337 -25.564 1.054
Start of MODEL 32
1 H1 LYS 1 HT1 LYS 1 23.983 17.844 -0.699
2 H2 LYS 1 HT2 LYS 1 22.604 18.812 -0.922
3 H3 LYS 1 HT3 LYS 1 23.018 17.639 -2.080
4 HA LYS 1 HA LYS 1 22.752 16.460 0.488
5 HB2 LYS 1 HB2 LYS 1 20.475 18.130 -0.593
6 HB3 LYS 1 HB1 LYS 1 20.210 16.772 0.499
7 HG2 LYS 1 HG2 LYS 1 21.007 17.905 2.300
8 HG3 LYS 1 HG1 LYS 1 22.323 18.629 1.376
9 HD2 LYS 1 HD2 LYS 1 20.758 20.248 0.385
10 HD3 LYS 1 HD1 LYS 1 19.424 19.517 1.280
11 HE2 LYS 1 HE2 LYS 1 21.681 20.212 3.006
12 HE3 LYS 1 HE1 LYS 1 21.011 21.614 2.172
13 HZ1 LYS 1 HZ1 LYS 1 19.308 21.582 3.562
14 HZ2 LYS 1 HZ2 LYS 1 19.952 20.229 4.362
15 HZ3 LYS 1 HZ3 LYS 1 18.891 20.020 3.053
16 H LYS 2 HN LYS 2 23.355 14.627 -0.629
17 HA LYS 2 HA LYS 2 21.761 13.822 -2.963
18 HB2 LYS 2 HB2 LYS 2 23.532 11.900 -2.917
19 HB3 LYS 2 HB1 LYS 2 24.015 13.505 -3.468
20 HG2 LYS 2 HG2 LYS 2 25.287 13.914 -1.602
21 HG3 LYS 2 HG1 LYS 2 24.220 12.987 -0.545
22 HD2 LYS 2 HD2 LYS 2 25.172 10.926 -1.191
23 HD3 LYS 2 HD1 LYS 2 25.903 11.618 -2.639
24 HE2 LYS 2 HE2 LYS 2 26.734 12.812 -0.047
25 HE3 LYS 2 HE1 LYS 2 27.304 11.175 -0.375
26 HZ1 LYS 2 HZ1 LYS 2 28.077 13.656 -1.588
27 HZ2 LYS 2 HZ2 LYS 2 27.682 12.462 -2.731
28 HZ3 LYS 2 HZ3 LYS 2 28.883 12.165 -1.569
29 H HIS 3 HN HIS 3 22.581 12.840 0.322
30 HA HIS 3 HA HIS 3 20.164 11.317 0.569
31 HB2 HIS 3 HB2 HIS 3 21.701 9.754 -0.704
32 HB3 HIS 3 HB1 HIS 3 22.739 9.742 0.723
33 HD2 HIS 3 HD2 HIS 3 21.876 6.915 0.925
34 HE1 HIS 3 HE1 HIS 3 18.100 7.954 2.500
35 HE2 HIS 3 HE2 HIS 3 19.725 6.041 2.121
36 H THR 4 HN THR 4 22.079 9.624 2.477
37 HA THR 4 HA THR 4 22.025 11.606 4.679
38 HB THR 4 HB THR 4 20.356 9.946 5.134
39 HG1 THR 4 HG1 THR 4 22.167 8.701 6.680
40 HG21 THR 4 HG21 THR 4 22.197 8.230 3.734
41 HG22 THR 4 HG22 THR 4 20.516 7.926 4.170
42 HG23 THR 4 HG23 THR 4 21.804 7.520 5.300
43 H ILE 5 HN ILE 5 23.252 8.649 5.613
44 HA ILE 5 HA ILE 5 26.031 9.607 5.297
45 HB ILE 5 HB ILE 5 26.405 8.033 7.308
46 HG12 ILE 5 HG12 ILE 5 23.636 8.585 8.151
47 HG13 ILE 5 HG11 ILE 5 23.767 7.399 6.852
48 HG21 ILE 5 HG21 ILE 5 25.428 9.863 8.861
49 HG22 ILE 5 HG22 ILE 5 24.941 10.667 7.368
50 HG23 ILE 5 HG23 ILE 5 26.646 10.350 7.683
51 HD11 ILE 5 HD11 ILE 5 25.173 5.984 8.137
52 HD12 ILE 5 HD12 ILE 5 23.901 6.490 9.249
53 HD13 ILE 5 HD13 ILE 5 25.491 7.249 9.324
54 H TRP 6 HN TRP 6 23.789 7.046 4.705
55 HA TRP 6 HA TRP 6 25.298 4.782 4.454
56 HB2 TRP 6 HB2 TRP 6 22.867 5.796 3.272
57 HB3 TRP 6 HB1 TRP 6 23.784 4.872 2.082
58 HD1 TRP 6 HD1 TRP 6 22.609 2.603 2.070
59 HE1 TRP 6 HE1 TRP 6 22.062 0.816 3.840
60 HE3 TRP 6 HE3 TRP 6 23.922 5.135 6.296
61 HZ2 TRP 6 HZ2 TRP 6 22.169 0.505 6.676
62 HZ3 TRP 6 HZ3 TRP 6 23.691 4.071 8.523
63 HH2 TRP 6 HH2 TRP 6 22.817 1.760 8.719
64 H GLU 7 HN GLU 7 24.853 7.144 1.812
65 HA GLU 7 HA GLU 7 26.728 6.041 0.058
66 HB2 GLU 7 HB2 GLU 7 25.211 8.499 0.294
67 HB3 GLU 7 HB1 GLU 7 26.814 8.792 -0.381
68 HG2 GLU 7 HG2 GLU 7 24.942 6.626 -1.372
69 HG3 GLU 7 HG1 GLU 7 25.057 8.228 -2.102
70 H VAL 8 HN VAL 8 27.321 7.312 3.072
71 HA VAL 8 HA VAL 8 30.047 8.191 2.361
72 HB VAL 8 HB VAL 8 28.737 8.612 5.039
73 HG11 VAL 8 HG11 VAL 8 30.437 10.192 5.368
74 HG12 VAL 8 HG12 VAL 8 30.740 10.366 3.639
75 HG13 VAL 8 HG13 VAL 8 31.271 8.913 4.486
76 HG21 VAL 8 HG21 VAL 8 28.631 10.420 2.600
77 HG22 VAL 8 HG22 VAL 8 28.059 10.843 4.215
78 HG23 VAL 8 HG23 VAL 8 27.253 9.569 3.302
79 H ILE 9 HN ILE 9 28.202 6.009 4.440
80 HA ILE 9 HA ILE 9 30.718 4.660 5.174
81 HB ILE 9 HB ILE 9 29.861 5.300 7.208
82 HG12 ILE 9 HG12 ILE 9 29.723 2.625 6.766
83 HG13 ILE 9 HG11 ILE 9 29.377 3.373 8.311
84 HG21 ILE 9 HG21 ILE 9 27.370 5.284 7.699
85 HG22 ILE 9 HG22 ILE 9 27.132 4.991 5.974
86 HG23 ILE 9 HG23 ILE 9 27.933 6.460 6.519
87 HD11 ILE 9 HD11 ILE 9 27.031 3.268 7.982
88 HD12 ILE 9 HD12 ILE 9 27.636 1.705 7.442
89 HD13 ILE 9 HD13 ILE 9 27.200 2.932 6.263
90 H ALA 10 HN ALA 10 27.324 4.152 4.272
91 HA ALA 10 HA ALA 10 27.610 1.327 3.903
92 HB1 ALA 10 HB1 ALA 10 25.417 1.437 2.868
93 HB2 ALA 10 HB2 ALA 10 25.544 3.188 2.708
94 HB3 ALA 10 HB3 ALA 10 25.427 2.453 4.308
95 H GLY 11 HN GLY 11 26.956 3.846 1.448
96 HA2 GLY 11 HA2 GLY 11 27.610 2.349 -0.792
97 HA3 GLY 11 HA1 GLY 11 27.790 4.101 -0.694
98 H LEU 12 HN LEU 12 29.584 3.367 1.751
99 HA LEU 12 HA LEU 12 32.041 3.122 0.165
100 HB2 LEU 12 HB2 LEU 12 31.653 5.108 1.726
101 HB3 LEU 12 HB1 LEU 12 31.854 3.961 3.054
102 HG LEU 12 HG LEU 12 34.011 3.314 1.545
103 HD11 LEU 12 HD11 LEU 12 33.421 5.173 -0.055
104 HD12 LEU 12 HD12 LEU 12 35.031 5.320 0.652
105 HD13 LEU 12 HD13 LEU 12 33.708 6.317 1.256
106 HD21 LEU 12 HD21 LEU 12 34.039 3.835 3.942
107 HD22 LEU 12 HD22 LEU 12 33.811 5.548 3.592
108 HD23 LEU 12 HD23 LEU 12 35.308 4.743 3.121
109 H VAL 13 HN VAL 13 30.131 1.591 2.644
110 HA VAL 13 HA VAL 13 32.218 -0.488 2.958
111 HB VAL 13 HB VAL 13 30.004 0.257 4.883
112 HG11 VAL 13 HG11 VAL 13 32.167 -1.854 4.900
113 HG12 VAL 13 HG12 VAL 13 30.430 -2.073 5.120
114 HG13 VAL 13 HG13 VAL 13 31.388 -1.297 6.381
115 HG21 VAL 13 HG21 VAL 13 31.609 1.379 6.151
116 HG22 VAL 13 HG22 VAL 13 32.163 1.754 4.520
117 HG23 VAL 13 HG23 VAL 13 32.946 0.473 5.444
118 H ALA 14 HN ALA 14 28.671 -0.064 3.022
119 HA ALA 14 HA ALA 14 27.841 -2.659 2.828
120 HB1 ALA 14 HB1 ALA 14 26.774 -0.218 1.398
121 HB2 ALA 14 HB2 ALA 14 26.197 -0.919 2.910
122 HB3 ALA 14 HB3 ALA 14 25.949 -1.778 1.389
123 H LEU 15 HN LEU 15 28.934 -0.597 0.139
124 HA LEU 15 HA LEU 15 28.603 -2.568 -1.868
125 HB2 LEU 15 HB2 LEU 15 28.864 -0.142 -2.346
126 HB3 LEU 15 HB1 LEU 15 30.538 -0.235 -1.809
127 HG LEU 15 HG LEU 15 31.006 -1.908 -3.581
128 HD11 LEU 15 HD11 LEU 15 28.059 -1.597 -3.989
129 HD12 LEU 15 HD12 LEU 15 29.062 -3.041 -4.119
130 HD13 LEU 15 HD13 LEU 15 29.065 -1.846 -5.416
131 HD21 LEU 15 HD21 LEU 15 30.031 -0.068 -5.454
132 HD22 LEU 15 HD22 LEU 15 31.607 -0.024 -4.664
133 HD23 LEU 15 HD23 LEU 15 30.252 0.874 -3.980
134 H LEU 16 HN LEU 16 31.129 -1.847 0.429
135 HA LEU 16 HA LEU 16 32.952 -3.790 -0.780
136 HB2 LEU 16 HB2 LEU 16 33.407 -2.216 1.750
137 HB3 LEU 16 HB1 LEU 16 34.611 -2.941 0.683
138 HG LEU 16 HG LEU 16 32.792 -0.606 0.032
139 HD11 LEU 16 HD11 LEU 16 34.889 -0.277 1.478
140 HD12 LEU 16 HD12 LEU 16 34.777 0.709 0.020
141 HD13 LEU 16 HD13 LEU 16 35.813 -0.719 0.043
142 HD21 LEU 16 HD21 LEU 16 32.970 -1.785 -2.002
143 HD22 LEU 16 HD22 LEU 16 34.619 -2.307 -1.660
144 HD23 LEU 16 HD23 LEU 16 34.297 -0.626 -2.088
145 H THR 17 HN THR 17 30.337 -3.956 1.166
146 HA THR 17 HA THR 17 31.417 -6.250 2.690
147 HB THR 17 HB THR 17 29.556 -4.061 3.518
148 HG1 THR 17 HG1 THR 17 31.927 -5.208 4.281
149 HG21 THR 17 HG21 THR 17 29.490 -6.939 4.408
150 HG22 THR 17 HG22 THR 17 28.138 -5.884 3.994
151 HG23 THR 17 HG23 THR 17 29.019 -5.638 5.501
152 H PHE 18 HN PHE 18 28.286 -4.891 1.638
153 HA PHE 18 HA PHE 18 26.692 -7.082 1.674
154 HB2 PHE 18 HB2 PHE 18 26.273 -4.669 0.731
155 HB3 PHE 18 HB1 PHE 18 26.664 -5.415 -0.819
156 HD1 PHE 18 HD2 PHE 18 24.497 -5.828 2.201
157 HD2 PHE 18 HD1 PHE 18 25.041 -6.677 -1.975
158 HE1 PHE 18 HE2 PHE 18 22.219 -6.803 2.101
159 HE2 PHE 18 HE1 PHE 18 22.764 -7.652 -2.074
160 HZ PHE 18 HZ PHE 18 21.352 -7.715 -0.037
161 H LEU 19 HN LEU 19 28.984 -6.282 -0.931
162 HA LEU 19 HA LEU 19 28.423 -8.669 -2.429
163 HB2 LEU 19 HB2 LEU 19 30.484 -6.490 -2.575
164 HB3 LEU 19 HB1 LEU 19 30.703 -7.958 -3.522
165 HG LEU 19 HG LEU 19 29.500 -6.101 -4.743
166 HD11 LEU 19 HD11 LEU 19 28.943 -8.853 -4.703
167 HD12 LEU 19 HD12 LEU 19 28.499 -7.708 -5.967
168 HD13 LEU 19 HD13 LEU 19 27.364 -8.071 -4.669
169 HD21 LEU 19 HD21 LEU 19 28.252 -5.447 -2.580
170 HD22 LEU 19 HD22 LEU 19 27.157 -6.774 -2.967
171 HD23 LEU 19 HD23 LEU 19 27.331 -5.421 -4.084
172 H ALA 20 HN ALA 20 31.201 -7.617 -0.445
173 HA ALA 20 HA ALA 20 32.822 -9.812 -0.620
174 HB1 ALA 20 HB1 ALA 20 32.682 -9.066 2.149
175 HB2 ALA 20 HB2 ALA 20 32.551 -7.618 1.152
176 HB3 ALA 20 HB3 ALA 20 33.937 -8.693 0.967
177 H PHE 21 HN PHE 21 30.160 -9.428 1.743
178 HA PHE 21 HA PHE 21 30.378 -12.186 2.581
179 HB2 PHE 21 HB2 PHE 21 28.416 -9.980 3.234
180 HB3 PHE 21 HB1 PHE 21 28.309 -11.605 3.910
181 HD1 PHE 21 HD1 PHE 21 30.751 -8.799 3.452
182 HD2 PHE 21 HD2 PHE 21 29.484 -12.115 5.871
183 HE1 PHE 21 HE1 PHE 21 32.444 -8.198 5.162
184 HE2 PHE 21 HE2 PHE 21 31.176 -11.514 7.581
185 HZ PHE 21 HZ PHE 21 32.657 -9.557 7.226
186 H GLY 22 HN GLY 22 28.212 -10.226 0.596
187 HA2 GLY 22 HA2 GLY 22 26.140 -12.009 0.140
188 HA3 GLY 22 HA1 GLY 22 26.703 -10.823 -1.032
189 H PHE 23 HN PHE 23 29.250 -11.745 -1.541
190 HA PHE 23 HA PHE 23 28.886 -13.611 -3.547
191 HB2 PHE 23 HB2 PHE 23 31.084 -12.222 -2.394
192 HB3 PHE 23 HB1 PHE 23 31.531 -13.922 -2.517
193 HD1 PHE 23 HD2 PHE 23 30.506 -15.037 -4.814
194 HD2 PHE 23 HD1 PHE 23 31.657 -10.936 -4.255
195 HE1 PHE 23 HE2 PHE 23 30.814 -14.789 -7.262
196 HE2 PHE 23 HE1 PHE 23 31.966 -10.689 -6.700
197 HZ PHE 23 HZ PHE 23 31.544 -12.618 -8.205
198 H TRP 24 HN TRP 24 29.073 -14.090 -0.163
199 HA TRP 24 HA TRP 24 29.535 -16.980 -0.490
200 HB2 TRP 24 HB2 TRP 24 31.065 -16.083 1.093
201 HB3 TRP 24 HB1 TRP 24 29.797 -15.139 1.884
202 HD1 TRP 24 HD1 TRP 24 30.317 -18.867 1.012
203 HE1 TRP 24 HE1 TRP 24 29.553 -20.284 3.032
204 HE3 TRP 24 HE3 TRP 24 28.831 -15.155 4.163
205 HZ2 TRP 24 HZ2 TRP 24 28.456 -19.883 5.639
206 HZ3 TRP 24 HZ3 TRP 24 27.928 -15.690 6.412
207 HH2 TRP 24 HH2 TRP 24 27.740 -18.049 7.152
208 H LEU 25 HN LEU 25 27.691 -14.917 1.734
209 HA LEU 25 HA LEU 25 25.856 -16.437 2.829
210 HB2 LEU 25 HB2 LEU 25 25.642 -13.759 1.592
211 HB3 LEU 25 HB1 LEU 25 24.116 -14.551 1.983
212 HG LEU 25 HG LEU 25 26.377 -14.441 3.971
213 HD11 LEU 25 HD11 LEU 25 25.883 -12.123 3.278
214 HD12 LEU 25 HD12 LEU 25 25.321 -12.421 4.923
215 HD13 LEU 25 HD13 LEU 25 24.168 -12.396 3.588
216 HD21 LEU 25 HD21 LEU 25 23.573 -14.270 4.850
217 HD22 LEU 25 HD22 LEU 25 24.862 -15.335 5.410
218 HD23 LEU 25 HD23 LEU 25 23.941 -15.750 3.967
219 H PHE 26 HN PHE 26 25.354 -15.308 -0.527
220 HA PHE 26 HA PHE 26 23.101 -17.028 -0.935
221 HB2 PHE 26 HB2 PHE 26 24.762 -15.868 -3.153
222 HB3 PHE 26 HB1 PHE 26 23.024 -16.152 -3.108
223 HD1 PHE 26 HD2 PHE 26 22.013 -14.961 -0.761
224 HD2 PHE 26 HD1 PHE 26 25.274 -13.608 -3.213
225 HE1 PHE 26 HE2 PHE 26 21.650 -12.644 0.037
226 HE2 PHE 26 HE1 PHE 26 24.906 -11.289 -2.413
227 HZ PHE 26 HZ PHE 26 23.101 -10.808 -0.783
228 H LYS 27 HN LYS 27 26.221 -16.987 -2.621
229 HA LYS 27 HA LYS 27 26.098 -19.350 -3.952
230 HB2 LYS 27 HB2 LYS 27 28.403 -17.925 -2.669
231 HB3 LYS 27 HB1 LYS 27 28.659 -19.452 -3.504
232 HG2 LYS 27 HG2 LYS 27 29.010 -17.477 -4.995
233 HG3 LYS 27 HG1 LYS 27 27.724 -18.538 -5.564
234 HD2 LYS 27 HD2 LYS 27 26.027 -17.049 -4.725
235 HD3 LYS 27 HD1 LYS 27 27.233 -16.062 -3.891
236 HE2 LYS 27 HE2 LYS 27 26.520 -15.015 -6.015
237 HE3 LYS 27 HE1 LYS 27 28.232 -15.441 -6.047
238 HZ1 LYS 27 HZ1 LYS 27 27.875 -16.774 -7.758
239 HZ2 LYS 27 HZ2 LYS 27 26.261 -16.247 -7.817
240 HZ3 LYS 27 HZ3 LYS 27 26.674 -17.627 -6.917
241 H TYR 28 HN TYR 28 26.111 -19.002 -0.560
242 HA TYR 28 HA TYR 28 26.818 -21.859 -0.205
243 HB2 TYR 28 HB2 TYR 28 28.263 -21.053 1.312
244 HB3 TYR 28 HB1 TYR 28 27.525 -19.452 1.287
245 HD1 TYR 28 HD1 TYR 28 26.904 -22.931 2.509
246 HD2 TYR 28 HD2 TYR 28 26.250 -18.731 3.117
247 HE1 TYR 28 HE1 TYR 28 25.792 -23.418 4.675
248 HE2 TYR 28 HE2 TYR 28 25.139 -19.216 5.282
249 HH TYR 28 HH TYR 28 24.673 -20.790 6.796
250 H LEU 29 HN LEU 29 24.685 -19.294 1.060
251 HA LEU 29 HA LEU 29 22.968 -21.259 2.306
252 HB2 LEU 29 HB2 LEU 29 23.516 -18.844 3.134
253 HB3 LEU 29 HB1 LEU 29 22.259 -18.356 2.000
254 HG LEU 29 HG LEU 29 21.077 -20.477 3.312
255 HD11 LEU 29 HD11 LEU 29 22.923 -20.552 4.946
256 HD12 LEU 29 HD12 LEU 29 21.422 -20.034 5.714
257 HD13 LEU 29 HD13 LEU 29 22.665 -18.848 5.317
258 HD21 LEU 29 HD21 LEU 29 19.765 -18.705 4.455
259 HD22 LEU 29 HD22 LEU 29 20.024 -18.332 2.751
260 HD23 LEU 29 HD23 LEU 29 20.986 -17.521 3.986
261 H GLN 30 HN GLN 30 22.949 -19.221 -0.548
262 HA GLN 30 HA GLN 30 20.213 -19.946 -1.229
263 HB2 GLN 30 HB2 GLN 30 21.003 -17.689 -1.712
264 HB3 GLN 30 HB1 GLN 30 22.300 -18.333 -2.712
265 HG2 GLN 30 HG2 GLN 30 20.925 -18.755 -4.466
266 HG3 GLN 30 HG1 GLN 30 19.598 -19.279 -3.428
267 HE21 GLN 30 HE21 GLN 30 21.156 -16.151 -2.897
268 HE22 GLN 30 HE22 GLN 30 19.849 -15.211 -3.431
269 H LYS 31 HN LYS 31 22.480 -21.948 -1.044
270 HA LYS 31 HA LYS 31 22.105 -23.126 -3.727
271 HB2 LYS 31 HB2 LYS 31 24.581 -22.412 -2.412
272 HB3 LYS 31 HB1 LYS 31 24.512 -24.150 -2.691
273 HG2 LYS 31 HG2 LYS 31 25.497 -23.148 -4.647
274 HG3 LYS 31 HG1 LYS 31 23.870 -23.654 -5.091
275 HD2 LYS 31 HD2 LYS 31 23.659 -21.020 -4.036
276 HD3 LYS 31 HD1 LYS 31 25.014 -21.018 -5.161
277 HE2 LYS 31 HE2 LYS 31 23.620 -21.938 -6.929
278 HE3 LYS 31 HE1 LYS 31 22.265 -22.114 -5.816
279 HZ1 LYS 31 HZ1 LYS 31 23.501 -19.608 -6.795
280 HZ2 LYS 31 HZ2 LYS 31 22.453 -19.649 -5.458
281 HZ3 LYS 31 HZ3 LYS 31 21.899 -20.129 -6.990
282 H LYS 32 HN LYS 32 22.802 -23.728 -0.301
283 HA LYS 32 HA LYS 32 22.790 -26.433 -0.110
284 HB2 LYS 32 HB2 LYS 32 21.340 -26.040 2.029
285 HB3 LYS 32 HB1 LYS 32 22.959 -25.344 1.941
286 HG2 LYS 32 HG2 LYS 32 22.085 -23.190 1.316
287 HG3 LYS 32 HG1 LYS 32 20.459 -23.842 1.125
288 HD2 LYS 32 HD2 LYS 32 21.378 -24.502 3.758
289 HD3 LYS 32 HD1 LYS 32 21.653 -22.783 3.490
290 HE2 LYS 32 HE2 LYS 32 19.326 -22.476 2.811
291 HE3 LYS 32 HE1 LYS 32 19.028 -24.207 2.976
292 HZ1 LYS 32 HZ1 LYS 32 20.006 -22.539 5.218
293 HZ2 LYS 32 HZ2 LYS 32 19.350 -24.103 5.287
294 HZ3 LYS 32 HZ3 LYS 32 18.355 -22.778 4.915
Start of MODEL 33
1 H1 LYS 1 HT1 LYS 1 24.087 16.457 -3.767
2 H2 LYS 1 HT2 LYS 1 23.201 17.815 -3.260
3 H3 LYS 1 HT3 LYS 1 23.053 17.248 -4.854
4 HA LYS 1 HA LYS 1 21.304 16.671 -2.957
5 HB2 LYS 1 HB2 LYS 1 21.283 16.135 -5.441
6 HB3 LYS 1 HB1 LYS 1 22.163 14.657 -5.048
7 HG2 LYS 1 HG2 LYS 1 20.304 14.119 -3.402
8 HG3 LYS 1 HG1 LYS 1 19.401 15.459 -4.108
9 HD2 LYS 1 HD2 LYS 1 19.755 14.347 -6.371
10 HD3 LYS 1 HD1 LYS 1 20.343 12.938 -5.489
11 HE2 LYS 1 HE2 LYS 1 18.177 12.947 -4.195
12 HE3 LYS 1 HE1 LYS 1 17.596 14.198 -5.295
13 HZ1 LYS 1 HZ1 LYS 1 18.574 11.525 -6.139
14 HZ2 LYS 1 HZ2 LYS 1 17.898 12.718 -7.143
15 HZ3 LYS 1 HZ3 LYS 1 16.940 11.945 -5.974
16 H LYS 2 HN LYS 2 23.580 14.107 -3.941
17 HA LYS 2 HA LYS 2 24.340 12.262 -2.786
18 HB2 LYS 2 HB2 LYS 2 24.985 14.676 -1.250
19 HB3 LYS 2 HB1 LYS 2 24.972 13.207 -0.276
20 HG2 LYS 2 HG2 LYS 2 26.408 13.345 -2.933
21 HG3 LYS 2 HG1 LYS 2 27.192 13.810 -1.423
22 HD2 LYS 2 HD2 LYS 2 25.783 11.237 -1.254
23 HD3 LYS 2 HD1 LYS 2 27.099 11.241 -2.427
24 HE2 LYS 2 HE2 LYS 2 27.405 12.265 0.406
25 HE3 LYS 2 HE1 LYS 2 27.782 10.609 -0.070
26 HZ1 LYS 2 HZ1 LYS 2 29.047 12.117 -1.940
27 HZ2 LYS 2 HZ2 LYS 2 29.780 11.401 -0.585
28 HZ3 LYS 2 HZ3 LYS 2 29.267 13.019 -0.521
29 H HIS 3 HN HIS 3 24.217 11.269 -0.352
30 HA HIS 3 HA HIS 3 21.339 11.222 0.347
31 HB2 HIS 3 HB2 HIS 3 22.279 9.153 -0.798
32 HB3 HIS 3 HB1 HIS 3 23.259 8.911 0.648
33 HD2 HIS 3 HD2 HIS 3 21.660 6.608 1.328
34 HE1 HIS 3 HE1 HIS 3 18.193 8.838 2.236
35 HE2 HIS 3 HE2 HIS 3 19.273 6.546 2.388
36 H THR 4 HN THR 4 21.279 9.891 2.629
37 HA THR 4 HA THR 4 22.076 11.697 4.587
38 HB THR 4 HB THR 4 20.379 10.133 5.149
39 HG1 THR 4 HG1 THR 4 22.052 10.623 6.769
40 HG21 THR 4 HG21 THR 4 22.178 8.271 3.820
41 HG22 THR 4 HG22 THR 4 20.447 8.129 4.125
42 HG23 THR 4 HG23 THR 4 21.601 7.627 5.359
43 H ILE 5 HN ILE 5 23.239 8.671 5.544
44 HA ILE 5 HA ILE 5 26.032 9.625 5.358
45 HB ILE 5 HB ILE 5 26.317 7.988 7.343
46 HG12 ILE 5 HG12 ILE 5 23.529 8.600 8.096
47 HG13 ILE 5 HG11 ILE 5 23.689 7.416 6.799
48 HG21 ILE 5 HG21 ILE 5 25.480 9.787 8.924
49 HG22 ILE 5 HG22 ILE 5 24.821 10.616 7.515
50 HG23 ILE 5 HG23 ILE 5 26.561 10.361 7.655
51 HD11 ILE 5 HD11 ILE 5 25.211 7.261 9.409
52 HD12 ILE 5 HD12 ILE 5 25.134 6.031 8.148
53 HD13 ILE 5 HD13 ILE 5 23.700 6.406 9.103
54 H TRP 6 HN TRP 6 23.795 7.046 4.726
55 HA TRP 6 HA TRP 6 25.291 4.797 4.434
56 HB2 TRP 6 HB2 TRP 6 22.911 5.870 3.189
57 HB3 TRP 6 HB1 TRP 6 23.851 4.938 2.026
58 HD1 TRP 6 HD1 TRP 6 22.622 2.696 1.957
59 HE1 TRP 6 HE1 TRP 6 21.989 0.905 3.690
60 HE3 TRP 6 HE3 TRP 6 23.865 5.158 6.244
61 HZ2 TRP 6 HZ2 TRP 6 22.008 0.563 6.525
62 HZ3 TRP 6 HZ3 TRP 6 23.548 4.079 8.452
63 HH2 TRP 6 HH2 TRP 6 22.621 1.783 8.599
64 H GLU 7 HN GLU 7 24.801 6.954 1.639
65 HA GLU 7 HA GLU 7 26.753 5.987 -0.014
66 HB2 GLU 7 HB2 GLU 7 25.626 8.723 0.408
67 HB3 GLU 7 HB1 GLU 7 26.963 8.504 -0.721
68 HG2 GLU 7 HG2 GLU 7 24.656 6.615 -0.900
69 HG3 GLU 7 HG1 GLU 7 24.429 8.253 -1.511
70 H VAL 8 HN VAL 8 27.253 7.503 3.012
71 HA VAL 8 HA VAL 8 30.024 8.207 2.356
72 HB VAL 8 HB VAL 8 28.745 8.630 5.044
73 HG11 VAL 8 HG11 VAL 8 30.642 10.484 3.667
74 HG12 VAL 8 HG12 VAL 8 31.276 8.969 4.308
75 HG13 VAL 8 HG13 VAL 8 30.480 10.118 5.384
76 HG21 VAL 8 HG21 VAL 8 28.566 10.432 2.605
77 HG22 VAL 8 HG22 VAL 8 28.035 10.859 4.231
78 HG23 VAL 8 HG23 VAL 8 27.213 9.577 3.343
79 H ILE 9 HN ILE 9 28.152 6.040 4.440
80 HA ILE 9 HA ILE 9 30.658 4.665 5.163
81 HB ILE 9 HB ILE 9 29.797 5.309 7.196
82 HG12 ILE 9 HG12 ILE 9 29.676 2.635 6.748
83 HG13 ILE 9 HG11 ILE 9 29.320 3.378 8.295
84 HG21 ILE 9 HG21 ILE 9 27.306 5.279 7.683
85 HG22 ILE 9 HG22 ILE 9 27.072 4.991 5.956
86 HG23 ILE 9 HG23 ILE 9 27.867 6.463 6.511
87 HD11 ILE 9 HD11 ILE 9 26.975 3.260 7.959
88 HD12 ILE 9 HD12 ILE 9 27.590 1.702 7.413
89 HD13 ILE 9 HD13 ILE 9 27.151 2.934 6.238
90 H ALA 10 HN ALA 10 27.268 4.170 4.242
91 HA ALA 10 HA ALA 10 27.524 1.346 3.892
92 HB1 ALA 10 HB1 ALA 10 25.525 3.256 2.658
93 HB2 ALA 10 HB2 ALA 10 25.347 2.467 4.225
94 HB3 ALA 10 HB3 ALA 10 25.368 1.503 2.750
95 H GLY 11 HN GLY 11 26.959 3.835 1.383
96 HA2 GLY 11 HA2 GLY 11 27.663 2.309 -0.818
97 HA3 GLY 11 HA1 GLY 11 27.861 4.059 -0.733
98 H LEU 12 HN LEU 12 29.574 3.355 1.765
99 HA LEU 12 HA LEU 12 32.074 3.073 0.260
100 HB2 LEU 12 HB2 LEU 12 31.652 5.053 1.822
101 HB3 LEU 12 HB1 LEU 12 31.801 3.898 3.147
102 HG LEU 12 HG LEU 12 34.007 3.231 1.759
103 HD11 LEU 12 HD11 LEU 12 33.437 5.051 0.074
104 HD12 LEU 12 HD12 LEU 12 35.057 5.145 0.765
105 HD13 LEU 12 HD13 LEU 12 33.787 6.222 1.346
106 HD21 LEU 12 HD21 LEU 12 33.708 5.533 3.714
107 HD22 LEU 12 HD22 LEU 12 35.244 4.770 3.303
108 HD23 LEU 12 HD23 LEU 12 33.988 3.839 4.119
109 H VAL 13 HN VAL 13 30.071 1.554 2.669
110 HA VAL 13 HA VAL 13 32.124 -0.545 3.057
111 HB VAL 13 HB VAL 13 29.842 0.258 4.876
112 HG11 VAL 13 HG11 VAL 13 31.880 -1.972 4.994
113 HG12 VAL 13 HG12 VAL 13 30.125 -2.104 5.084
114 HG13 VAL 13 HG13 VAL 13 31.027 -1.395 6.423
115 HG21 VAL 13 HG21 VAL 13 32.039 1.667 4.671
116 HG22 VAL 13 HG22 VAL 13 32.786 0.310 5.514
117 HG23 VAL 13 HG23 VAL 13 31.475 1.208 6.278
118 H ALA 14 HN ALA 14 28.576 -0.118 2.980
119 HA ALA 14 HA ALA 14 27.751 -2.706 2.722
120 HB1 ALA 14 HB1 ALA 14 26.723 -0.349 1.121
121 HB2 ALA 14 HB2 ALA 14 26.197 -0.801 2.743
122 HB3 ALA 14 HB3 ALA 14 25.862 -1.866 1.377
123 H LEU 15 HN LEU 15 28.894 -0.618 0.069
124 HA LEU 15 HA LEU 15 28.669 -2.582 -1.951
125 HB2 LEU 15 HB2 LEU 15 28.930 -0.150 -2.403
126 HB3 LEU 15 HB1 LEU 15 30.588 -0.238 -1.810
127 HG LEU 15 HG LEU 15 31.120 -1.900 -3.575
128 HD11 LEU 15 HD11 LEU 15 28.189 -1.598 -4.080
129 HD12 LEU 15 HD12 LEU 15 29.203 -3.035 -4.191
130 HD13 LEU 15 HD13 LEU 15 29.243 -1.828 -5.476
131 HD21 LEU 15 HD21 LEU 15 30.762 -0.287 -5.542
132 HD22 LEU 15 HD22 LEU 15 31.635 0.351 -4.148
133 HD23 LEU 15 HD23 LEU 15 29.935 0.759 -4.386
134 H LEU 16 HN LEU 16 31.104 -1.861 0.441
135 HA LEU 16 HA LEU 16 32.971 -3.798 -0.711
136 HB2 LEU 16 HB2 LEU 16 33.363 -2.191 1.808
137 HB3 LEU 16 HB1 LEU 16 34.594 -2.923 0.778
138 HG LEU 16 HG LEU 16 32.782 -0.601 0.064
139 HD11 LEU 16 HD11 LEU 16 35.799 -0.680 0.083
140 HD12 LEU 16 HD12 LEU 16 34.886 -0.297 1.542
141 HD13 LEU 16 HD13 LEU 16 34.738 0.729 0.114
142 HD21 LEU 16 HD21 LEU 16 32.996 -1.804 -1.952
143 HD22 LEU 16 HD22 LEU 16 34.641 -2.318 -1.577
144 HD23 LEU 16 HD23 LEU 16 34.322 -0.643 -2.032
145 H THR 17 HN THR 17 30.299 -4.022 1.091
146 HA THR 17 HA THR 17 31.358 -6.270 2.693
147 HB THR 17 HB THR 17 29.466 -4.084 3.452
148 HG1 THR 17 HG1 THR 17 31.860 -4.956 4.145
149 HG21 THR 17 HG21 THR 17 28.840 -5.652 5.412
150 HG22 THR 17 HG22 THR 17 29.353 -6.960 4.350
151 HG23 THR 17 HG23 THR 17 28.023 -5.905 3.871
152 H PHE 18 HN PHE 18 28.258 -4.943 1.525
153 HA PHE 18 HA PHE 18 26.661 -7.125 1.518
154 HB2 PHE 18 HB2 PHE 18 26.312 -4.721 0.511
155 HB3 PHE 18 HB1 PHE 18 26.745 -5.511 -1.005
156 HD1 PHE 18 HD2 PHE 18 24.490 -5.884 1.962
157 HD2 PHE 18 HD1 PHE 18 25.121 -6.708 -2.206
158 HE1 PHE 18 HE2 PHE 18 22.200 -6.819 1.801
159 HE2 PHE 18 HE1 PHE 18 22.830 -7.643 -2.368
160 HZ PHE 18 HZ PHE 18 21.369 -7.699 -0.363
161 H LEU 19 HN LEU 19 28.989 -6.344 -1.068
162 HA LEU 19 HA LEU 19 28.512 -8.758 -2.527
163 HB2 LEU 19 HB2 LEU 19 30.607 -6.602 -2.614
164 HB3 LEU 19 HB1 LEU 19 30.808 -8.070 -3.567
165 HG LEU 19 HG LEU 19 29.673 -6.179 -4.799
166 HD11 LEU 19 HD11 LEU 19 28.643 -7.748 -6.050
167 HD12 LEU 19 HD12 LEU 19 27.493 -8.108 -4.763
168 HD13 LEU 19 HD13 LEU 19 29.060 -8.915 -4.795
169 HD21 LEU 19 HD21 LEU 19 27.313 -6.805 -3.019
170 HD22 LEU 19 HD22 LEU 19 27.473 -5.495 -4.189
171 HD23 LEU 19 HD23 LEU 19 28.408 -5.461 -2.694
172 H ALA 20 HN ALA 20 31.178 -7.689 -0.407
173 HA ALA 20 HA ALA 20 32.811 -9.891 -0.505
174 HB1 ALA 20 HB1 ALA 20 33.874 -8.774 1.119
175 HB2 ALA 20 HB2 ALA 20 32.551 -9.076 2.244
176 HB3 ALA 20 HB3 ALA 20 32.511 -7.660 1.194
177 H PHE 21 HN PHE 21 30.085 -9.447 1.764
178 HA PHE 21 HA PHE 21 30.248 -12.198 2.639
179 HB2 PHE 21 HB2 PHE 21 28.318 -9.954 3.246
180 HB3 PHE 21 HB1 PHE 21 28.175 -11.571 3.935
181 HD1 PHE 21 HD1 PHE 21 30.612 -8.759 3.525
182 HD2 PHE 21 HD2 PHE 21 29.376 -12.140 5.870
183 HE1 PHE 21 HE1 PHE 21 32.292 -8.175 5.254
184 HE2 PHE 21 HE2 PHE 21 31.056 -11.555 7.598
185 HZ PHE 21 HZ PHE 21 32.514 -9.573 7.288
186 H GLY 22 HN GLY 22 28.232 -10.267 0.487
187 HA2 GLY 22 HA2 GLY 22 26.116 -12.058 0.089
188 HA3 GLY 22 HA1 GLY 22 26.672 -10.879 -1.095
189 H PHE 23 HN PHE 23 29.202 -11.760 -1.663
190 HA PHE 23 HA PHE 23 28.818 -13.704 -3.594
191 HB2 PHE 23 HB2 PHE 23 31.094 -12.348 -2.408
192 HB3 PHE 23 HB1 PHE 23 31.480 -14.021 -2.806
193 HD1 PHE 23 HD1 PHE 23 30.413 -14.820 -5.154
194 HD2 PHE 23 HD2 PHE 23 31.398 -10.772 -4.106
195 HE1 PHE 23 HE1 PHE 23 30.541 -14.228 -7.559
196 HE2 PHE 23 HE2 PHE 23 31.527 -10.181 -6.510
197 HZ PHE 23 HZ PHE 23 31.098 -11.909 -8.237
198 H TRP 24 HN TRP 24 29.069 -14.036 -0.212
199 HA TRP 24 HA TRP 24 29.574 -16.926 -0.414
200 HB2 TRP 24 HB2 TRP 24 31.055 -15.890 1.153
201 HB3 TRP 24 HB1 TRP 24 29.728 -15.004 1.909
202 HD1 TRP 24 HD1 TRP 24 30.422 -18.725 1.113
203 HE1 TRP 24 HE1 TRP 24 29.743 -20.127 3.172
204 HE3 TRP 24 HE3 TRP 24 28.803 -15.012 4.196
205 HZ2 TRP 24 HZ2 TRP 24 28.654 -19.717 5.781
206 HZ3 TRP 24 HZ3 TRP 24 27.947 -15.536 6.466
207 HH2 TRP 24 HH2 TRP 24 27.870 -17.884 7.260
208 H LEU 25 HN LEU 25 27.762 -15.013 1.937
209 HA LEU 25 HA LEU 25 25.894 -16.510 2.925
210 HB2 LEU 25 HB2 LEU 25 25.671 -13.801 1.767
211 HB3 LEU 25 HB1 LEU 25 24.146 -14.617 2.117
212 HG LEU 25 HG LEU 25 26.361 -14.621 4.147
213 HD11 LEU 25 HD11 LEU 25 24.257 -12.459 3.813
214 HD12 LEU 25 HD12 LEU 25 25.979 -12.254 3.495
215 HD13 LEU 25 HD13 LEU 25 25.417 -12.577 5.136
216 HD21 LEU 25 HD21 LEU 25 24.736 -15.375 5.575
217 HD22 LEU 25 HD22 LEU 25 23.956 -15.880 4.077
218 HD23 LEU 25 HD23 LEU 25 23.486 -14.365 4.848
219 H PHE 26 HN PHE 26 25.275 -15.242 -0.361
220 HA PHE 26 HA PHE 26 23.101 -17.059 -0.749
221 HB2 PHE 26 HB2 PHE 26 24.566 -15.631 -2.954
222 HB3 PHE 26 HB1 PHE 26 22.862 -16.079 -2.878
223 HD1 PHE 26 HD2 PHE 26 21.737 -15.177 -0.527
224 HD2 PHE 26 HD1 PHE 26 24.956 -13.343 -2.702
225 HE1 PHE 26 HE2 PHE 26 21.193 -12.995 0.508
226 HE2 PHE 26 HE1 PHE 26 24.413 -11.160 -1.662
227 HZ PHE 26 HZ PHE 26 22.536 -10.987 -0.055
228 H LYS 27 HN LYS 27 26.133 -16.780 -2.607
229 HA LYS 27 HA LYS 27 26.005 -19.152 -3.965
230 HB2 LYS 27 HB2 LYS 27 28.595 -18.145 -2.789
231 HB3 LYS 27 HB1 LYS 27 28.347 -18.993 -4.316
232 HG2 LYS 27 HG2 LYS 27 27.471 -16.174 -3.628
233 HG3 LYS 27 HG1 LYS 27 28.665 -16.656 -4.832
234 HD2 LYS 27 HD2 LYS 27 26.710 -18.014 -5.887
235 HD3 LYS 27 HD1 LYS 27 25.672 -16.972 -4.913
236 HE2 LYS 27 HE2 LYS 27 27.331 -15.112 -5.989
237 HE3 LYS 27 HE1 LYS 27 27.323 -16.307 -7.286
238 HZ1 LYS 27 HZ1 LYS 27 25.513 -14.951 -7.748
239 HZ2 LYS 27 HZ2 LYS 27 25.042 -14.839 -6.119
240 HZ3 LYS 27 HZ3 LYS 27 24.807 -16.287 -6.976
241 H TYR 28 HN TYR 28 26.183 -18.827 -0.601
242 HA TYR 28 HA TYR 28 27.145 -21.615 -0.295
243 HB2 TYR 28 HB2 TYR 28 28.604 -20.645 1.122
244 HB3 TYR 28 HB1 TYR 28 27.656 -19.167 1.243
245 HD1 TYR 28 HD1 TYR 28 27.927 -22.659 2.450
246 HD2 TYR 28 HD2 TYR 28 26.102 -18.817 3.016
247 HE1 TYR 28 HE1 TYR 28 27.050 -23.400 4.654
248 HE2 TYR 28 HE2 TYR 28 25.227 -19.550 5.217
249 HH TYR 28 HH TYR 28 24.642 -21.803 6.300
250 H LEU 29 HN LEU 29 24.668 -19.268 0.661
251 HA LEU 29 HA LEU 29 23.186 -21.434 2.007
252 HB2 LEU 29 HB2 LEU 29 23.700 -19.115 3.079
253 HB3 LEU 29 HB1 LEU 29 22.374 -18.546 2.063
254 HG LEU 29 HG LEU 29 21.245 -20.780 3.104
255 HD11 LEU 29 HD11 LEU 29 22.890 -19.635 5.369
256 HD12 LEU 29 HD12 LEU 29 23.351 -21.097 4.499
257 HD13 LEU 29 HD13 LEU 29 21.842 -21.052 5.409
258 HD21 LEU 29 HD21 LEU 29 21.359 -18.031 4.384
259 HD22 LEU 29 HD22 LEU 29 20.117 -19.244 4.697
260 HD23 LEU 29 HD23 LEU 29 20.265 -18.526 3.093
261 H GLN 30 HN GLN 30 22.921 -19.072 -0.598
262 HA GLN 30 HA GLN 30 20.166 -19.554 -1.167
263 HB2 GLN 30 HB2 GLN 30 21.168 -17.501 -1.893
264 HB3 GLN 30 HB1 GLN 30 22.396 -18.366 -2.814
265 HG2 GLN 30 HG2 GLN 30 20.818 -19.123 -4.410
266 HG3 GLN 30 HG1 GLN 30 19.452 -18.690 -3.382
267 HE21 GLN 30 HE21 GLN 30 20.389 -16.041 -2.608
268 HE22 GLN 30 HE22 GLN 30 20.351 -15.066 -3.997
269 H LYS 31 HN LYS 31 23.103 -21.200 -2.015
270 HA LYS 31 HA LYS 31 21.773 -22.689 -4.164
271 HB2 LYS 31 HB2 LYS 31 24.586 -22.247 -3.311
272 HB3 LYS 31 HB1 LYS 31 24.212 -23.798 -4.062
273 HG2 LYS 31 HG2 LYS 31 24.895 -22.091 -5.736
274 HG3 LYS 31 HG1 LYS 31 23.247 -22.660 -6.002
275 HD2 LYS 31 HD2 LYS 31 22.305 -20.661 -5.372
276 HD3 LYS 31 HD1 LYS 31 23.590 -20.298 -4.217
277 HE2 LYS 31 HE2 LYS 31 25.123 -19.773 -6.066
278 HE3 LYS 31 HE1 LYS 31 23.866 -20.172 -7.236
279 HZ1 LYS 31 HZ1 LYS 31 23.334 -18.027 -7.099
280 HZ2 LYS 31 HZ2 LYS 31 24.222 -17.789 -5.672
281 HZ3 LYS 31 HZ3 LYS 31 22.640 -18.404 -5.600
282 H LYS 32 HN LYS 32 21.581 -22.875 -0.999
283 HA LYS 32 HA LYS 32 21.305 -25.789 -1.018
284 HB2 LYS 32 HB2 LYS 32 22.630 -24.640 1.389
285 HB3 LYS 32 HB1 LYS 32 22.800 -26.240 0.665
286 HG2 LYS 32 HG2 LYS 32 24.082 -25.237 -1.210
287 HG3 LYS 32 HG1 LYS 32 23.952 -23.656 -0.435
288 HD2 LYS 32 HD2 LYS 32 25.098 -24.621 1.577
289 HD3 LYS 32 HD1 LYS 32 25.348 -26.110 0.665
290 HE2 LYS 32 HE2 LYS 32 26.192 -23.888 -0.953
291 HE3 LYS 32 HE1 LYS 32 26.954 -23.762 0.631
292 HZ1 LYS 32 HZ1 LYS 32 26.989 -26.447 -0.218
293 HZ2 LYS 32 HZ2 LYS 32 28.300 -25.419 0.114
294 HZ3 LYS 32 HZ3 LYS 32 27.634 -25.472 -1.447
Start of MODEL 34
1 H1 LYS 1 HT1 LYS 1 24.088 18.829 -1.016
2 H2 LYS 1 HT2 LYS 1 23.686 18.287 -2.576
3 H3 LYS 1 HT3 LYS 1 24.914 17.512 -1.693
4 HA LYS 1 HA LYS 1 23.360 16.671 -0.109
5 HB2 LYS 1 HB2 LYS 1 20.857 17.118 -0.784
6 HB3 LYS 1 HB1 LYS 1 21.736 18.327 0.154
7 HG2 LYS 1 HG2 LYS 1 21.940 19.775 -1.638
8 HG3 LYS 1 HG1 LYS 1 21.894 18.473 -2.830
9 HD2 LYS 1 HD2 LYS 1 19.505 18.161 -2.460
10 HD3 LYS 1 HD1 LYS 1 19.518 19.363 -1.169
11 HE2 LYS 1 HE2 LYS 1 20.511 20.120 -3.901
12 HE3 LYS 1 HE1 LYS 1 18.775 20.073 -3.591
13 HZ1 LYS 1 HZ1 LYS 1 20.799 21.657 -2.105
14 HZ2 LYS 1 HZ2 LYS 1 19.161 21.537 -1.668
15 HZ3 LYS 1 HZ3 LYS 1 19.601 22.261 -3.140
16 H LYS 2 HN LYS 2 23.081 14.572 -0.560
17 HA LYS 2 HA LYS 2 22.105 13.792 -3.225
18 HB2 LYS 2 HB2 LYS 2 23.863 11.874 -3.030
19 HB3 LYS 2 HB1 LYS 2 24.386 13.462 -3.593
20 HG2 LYS 2 HG2 LYS 2 25.584 13.894 -1.694
21 HG3 LYS 2 HG1 LYS 2 24.427 13.062 -0.655
22 HD2 LYS 2 HD2 LYS 2 25.303 10.913 -1.242
23 HD3 LYS 2 HD1 LYS 2 26.258 11.589 -2.561
24 HE2 LYS 2 HE2 LYS 2 27.222 11.099 -0.035
25 HE3 LYS 2 HE1 LYS 2 27.931 12.246 -1.173
26 HZ1 LYS 2 HZ1 LYS 2 27.441 13.182 1.059
27 HZ2 LYS 2 HZ2 LYS 2 25.787 12.946 0.755
28 HZ3 LYS 2 HZ3 LYS 2 26.689 14.012 -0.215
29 H HIS 3 HN HIS 3 22.797 12.888 0.118
30 HA HIS 3 HA HIS 3 20.342 11.427 0.339
31 HB2 HIS 3 HB2 HIS 3 21.853 9.805 -0.884
32 HB3 HIS 3 HB1 HIS 3 22.870 9.785 0.557
33 HD2 HIS 3 HD2 HIS 3 21.929 6.987 0.789
34 HE1 HIS 3 HE1 HIS 3 18.158 8.150 2.292
35 HE2 HIS 3 HE2 HIS 3 19.738 6.188 1.967
36 H THR 4 HN THR 4 22.162 9.709 2.312
37 HA THR 4 HA THR 4 22.114 11.723 4.482
38 HB THR 4 HB THR 4 20.411 10.097 4.930
39 HG1 THR 4 HG1 THR 4 21.135 10.012 6.878
40 HG21 THR 4 HG21 THR 4 21.817 7.650 5.151
41 HG22 THR 4 HG22 THR 4 22.245 8.333 3.582
42 HG23 THR 4 HG23 THR 4 20.553 8.061 3.997
43 H ILE 5 HN ILE 5 23.277 8.757 5.474
44 HA ILE 5 HA ILE 5 26.075 9.668 5.199
45 HB ILE 5 HB ILE 5 26.388 8.111 7.235
46 HG12 ILE 5 HG12 ILE 5 23.621 8.718 8.034
47 HG13 ILE 5 HG11 ILE 5 23.742 7.524 6.742
48 HG21 ILE 5 HG21 ILE 5 24.966 10.770 7.241
49 HG22 ILE 5 HG22 ILE 5 26.662 10.429 7.586
50 HG23 ILE 5 HG23 ILE 5 25.418 9.975 8.750
51 HD11 ILE 5 HD11 ILE 5 25.107 6.089 8.050
52 HD12 ILE 5 HD12 ILE 5 23.828 6.621 9.140
53 HD13 ILE 5 HD13 ILE 5 25.430 7.351 9.236
54 H TRP 6 HN TRP 6 23.803 7.134 4.602
55 HA TRP 6 HA TRP 6 25.278 4.845 4.407
56 HB2 TRP 6 HB2 TRP 6 22.884 5.878 3.171
57 HB3 TRP 6 HB1 TRP 6 23.806 4.925 2.009
58 HD1 TRP 6 HD1 TRP 6 22.613 2.665 2.011
59 HE1 TRP 6 HE1 TRP 6 22.012 0.914 3.800
60 HE3 TRP 6 HE3 TRP 6 23.867 5.257 6.218
61 HZ2 TRP 6 HZ2 TRP 6 22.058 0.652 6.642
62 HZ3 TRP 6 HZ3 TRP 6 23.579 4.236 8.459
63 HH2 TRP 6 HH2 TRP 6 22.677 1.936 8.677
64 H GLU 7 HN GLU 7 24.916 7.168 1.715
65 HA GLU 7 HA GLU 7 26.796 6.016 0.010
66 HB2 GLU 7 HB2 GLU 7 25.350 8.520 0.210
67 HB3 GLU 7 HB1 GLU 7 26.971 8.763 -0.440
68 HG2 GLU 7 HG2 GLU 7 25.050 6.653 -1.455
69 HG3 GLU 7 HG1 GLU 7 25.229 8.247 -2.187
70 H VAL 8 HN VAL 8 27.351 7.392 3.015
71 HA VAL 8 HA VAL 8 30.116 8.156 2.346
72 HB VAL 8 HB VAL 8 28.775 8.624 5.001
73 HG11 VAL 8 HG11 VAL 8 30.720 10.500 3.783
74 HG12 VAL 8 HG12 VAL 8 31.360 8.918 4.225
75 HG13 VAL 8 HG13 VAL 8 30.593 9.931 5.448
76 HG21 VAL 8 HG21 VAL 8 27.343 9.606 3.237
77 HG22 VAL 8 HG22 VAL 8 28.749 10.416 2.549
78 HG23 VAL 8 HG23 VAL 8 28.167 10.867 4.150
79 H ILE 9 HN ILE 9 28.198 6.036 4.431
80 HA ILE 9 HA ILE 9 30.676 4.640 5.207
81 HB ILE 9 HB ILE 9 29.798 5.320 7.220
82 HG12 ILE 9 HG12 ILE 9 29.624 2.641 6.804
83 HG13 ILE 9 HG11 ILE 9 29.272 3.412 8.337
84 HG21 ILE 9 HG21 ILE 9 27.084 5.038 5.948
85 HG22 ILE 9 HG22 ILE 9 27.901 6.503 6.489
86 HG23 ILE 9 HG23 ILE 9 27.301 5.350 7.673
87 HD11 ILE 9 HD11 ILE 9 27.112 2.985 6.267
88 HD12 ILE 9 HD12 ILE 9 26.927 3.343 7.978
89 HD13 ILE 9 HD13 ILE 9 27.514 1.764 7.467
90 H ALA 10 HN ALA 10 27.285 4.173 4.266
91 HA ALA 10 HA ALA 10 27.531 1.343 3.934
92 HB1 ALA 10 HB1 ALA 10 25.523 3.223 2.672
93 HB2 ALA 10 HB2 ALA 10 25.361 2.512 4.278
94 HB3 ALA 10 HB3 ALA 10 25.361 1.477 2.852
95 H GLY 11 HN GLY 11 26.970 3.837 1.432
96 HA2 GLY 11 HA2 GLY 11 27.643 2.300 -0.776
97 HA3 GLY 11 HA1 GLY 11 27.847 4.051 -0.696
98 H LEU 12 HN LEU 12 29.579 3.321 1.793
99 HA LEU 12 HA LEU 12 32.063 3.022 0.261
100 HB2 LEU 12 HB2 LEU 12 31.667 5.028 1.799
101 HB3 LEU 12 HB1 LEU 12 31.835 3.892 3.138
102 HG LEU 12 HG LEU 12 34.014 3.203 1.700
103 HD11 LEU 12 HD11 LEU 12 33.976 6.196 1.375
104 HD12 LEU 12 HD12 LEU 12 33.299 5.163 0.116
105 HD13 LEU 12 HD13 LEU 12 34.997 5.007 0.568
106 HD21 LEU 12 HD21 LEU 12 33.987 3.823 4.080
107 HD22 LEU 12 HD22 LEU 12 33.807 5.523 3.648
108 HD23 LEU 12 HD23 LEU 12 35.295 4.664 3.249
109 H VAL 13 HN VAL 13 30.073 1.544 2.704
110 HA VAL 13 HA VAL 13 32.123 -0.560 3.096
111 HB VAL 13 HB VAL 13 29.865 0.250 4.944
112 HG11 VAL 13 HG11 VAL 13 30.201 -2.089 5.213
113 HG12 VAL 13 HG12 VAL 13 31.154 -1.341 6.495
114 HG13 VAL 13 HG13 VAL 13 31.950 -1.936 5.038
115 HG21 VAL 13 HG21 VAL 13 32.068 1.680 4.649
116 HG22 VAL 13 HG22 VAL 13 32.801 0.376 5.580
117 HG23 VAL 13 HG23 VAL 13 31.474 1.311 6.268
118 H ALA 14 HN ALA 14 28.578 -0.104 3.066
119 HA ALA 14 HA ALA 14 27.727 -2.689 2.859
120 HB1 ALA 14 HB1 ALA 14 26.710 -0.312 1.283
121 HB2 ALA 14 HB2 ALA 14 26.161 -0.824 2.878
122 HB3 ALA 14 HB3 ALA 14 25.846 -1.838 1.469
123 H LEU 15 HN LEU 15 28.880 -0.653 0.171
124 HA LEU 15 HA LEU 15 28.601 -2.643 -1.821
125 HB2 LEU 15 HB2 LEU 15 28.885 -0.214 -2.304
126 HB3 LEU 15 HB1 LEU 15 30.552 -0.323 -1.744
127 HG LEU 15 HG LEU 15 31.016 -2.022 -3.497
128 HD11 LEU 15 HD11 LEU 15 29.102 -1.922 -5.363
129 HD12 LEU 15 HD12 LEU 15 28.083 -1.662 -3.949
130 HD13 LEU 15 HD13 LEU 15 29.067 -3.120 -4.070
131 HD21 LEU 15 HD21 LEU 15 29.947 -0.044 -5.289
132 HD22 LEU 15 HD22 LEU 15 31.619 -0.271 -4.775
133 HD23 LEU 15 HD23 LEU 15 30.541 0.759 -3.834
134 H LEU 16 HN LEU 16 31.084 -1.904 0.521
135 HA LEU 16 HA LEU 16 32.921 -3.867 -0.631
136 HB2 LEU 16 HB2 LEU 16 33.333 -2.261 1.888
137 HB3 LEU 16 HB1 LEU 16 34.555 -3.010 0.858
138 HG LEU 16 HG LEU 16 32.766 -0.672 0.137
139 HD11 LEU 16 HD11 LEU 16 35.785 -0.788 0.181
140 HD12 LEU 16 HD12 LEU 16 34.857 -0.363 1.620
141 HD13 LEU 16 HD13 LEU 16 34.745 0.636 0.172
142 HD21 LEU 16 HD21 LEU 16 34.612 -2.411 -1.495
143 HD22 LEU 16 HD22 LEU 16 34.317 -0.734 -1.953
144 HD23 LEU 16 HD23 LEU 16 32.975 -1.876 -1.878
145 H THR 17 HN THR 17 30.267 -4.015 1.243
146 HA THR 17 HA THR 17 31.305 -6.288 2.826
147 HB THR 17 HB THR 17 29.432 -4.084 3.569
148 HG1 THR 17 HG1 THR 17 31.024 -5.465 5.358
149 HG21 THR 17 HG21 THR 17 28.766 -5.634 5.527
150 HG22 THR 17 HG22 THR 17 29.274 -6.954 4.476
151 HG23 THR 17 HG23 THR 17 27.961 -5.886 3.978
152 H PHE 18 HN PHE 18 28.193 -4.959 1.687
153 HA PHE 18 HA PHE 18 26.625 -7.167 1.667
154 HB2 PHE 18 HB2 PHE 18 26.237 -4.737 0.709
155 HB3 PHE 18 HB1 PHE 18 26.621 -5.514 -0.827
156 HD1 PHE 18 HD2 PHE 18 24.460 -5.885 2.205
157 HD2 PHE 18 HD1 PHE 18 24.978 -6.750 -1.971
158 HE1 PHE 18 HE2 PHE 18 22.171 -6.838 2.117
159 HE2 PHE 18 HE1 PHE 18 22.689 -7.703 -2.057
160 HZ PHE 18 HZ PHE 18 21.287 -7.747 -0.013
161 H LEU 19 HN LEU 19 28.855 -6.282 -0.977
162 HA LEU 19 HA LEU 19 28.393 -8.674 -2.467
163 HB2 LEU 19 HB2 LEU 19 30.462 -6.492 -2.558
164 HB3 LEU 19 HB1 LEU 19 30.636 -7.929 -3.562
165 HG LEU 19 HG LEU 19 29.444 -6.002 -4.688
166 HD11 LEU 19 HD11 LEU 19 28.389 -7.540 -5.957
167 HD12 LEU 19 HD12 LEU 19 27.283 -7.952 -4.649
168 HD13 LEU 19 HD13 LEU 19 28.853 -8.744 -4.757
169 HD21 LEU 19 HD21 LEU 19 28.246 -5.375 -2.515
170 HD22 LEU 19 HD22 LEU 19 27.153 -6.717 -2.850
171 HD23 LEU 19 HD23 LEU 19 27.260 -5.363 -3.976
172 H ALA 20 HN ALA 20 31.133 -7.607 -0.441
173 HA ALA 20 HA ALA 20 32.792 -9.769 -0.618
174 HB1 ALA 20 HB1 ALA 20 33.550 -9.257 1.654
175 HB2 ALA 20 HB2 ALA 20 32.093 -8.304 1.935
176 HB3 ALA 20 HB3 ALA 20 33.277 -7.771 0.743
177 H PHE 21 HN PHE 21 30.130 -9.460 1.751
178 HA PHE 21 HA PHE 21 30.367 -12.243 2.502
179 HB2 PHE 21 HB2 PHE 21 28.429 -10.057 3.273
180 HB3 PHE 21 HB1 PHE 21 28.327 -11.705 3.891
181 HD1 PHE 21 HD2 PHE 21 30.561 -8.735 3.651
182 HD2 PHE 21 HD1 PHE 21 29.758 -12.460 5.631
183 HE1 PHE 21 HE2 PHE 21 32.301 -8.211 5.337
184 HE2 PHE 21 HE1 PHE 21 31.497 -11.937 7.320
185 HZ PHE 21 HZ PHE 21 32.768 -9.812 7.173
186 H GLY 22 HN GLY 22 28.192 -10.253 0.553
187 HA2 GLY 22 HA2 GLY 22 26.104 -12.050 0.137
188 HA3 GLY 22 HA1 GLY 22 26.620 -10.838 -1.030
189 H PHE 23 HN PHE 23 29.144 -11.696 -1.679
190 HA PHE 23 HA PHE 23 28.708 -13.588 -3.655
191 HB2 PHE 23 HB2 PHE 23 30.998 -12.227 -2.513
192 HB3 PHE 23 HB1 PHE 23 31.400 -13.885 -2.957
193 HD1 PHE 23 HD2 PHE 23 30.258 -14.647 -5.291
194 HD2 PHE 23 HD1 PHE 23 31.253 -10.617 -4.183
195 HE1 PHE 23 HE2 PHE 23 30.318 -14.003 -7.685
196 HE2 PHE 23 HE1 PHE 23 31.313 -9.974 -6.576
197 HZ PHE 23 HZ PHE 23 30.845 -11.666 -8.327
198 H TRP 24 HN TRP 24 29.084 -14.025 -0.289
199 HA TRP 24 HA TRP 24 29.630 -16.898 -0.612
200 HB2 TRP 24 HB2 TRP 24 31.150 -15.878 0.935
201 HB3 TRP 24 HB1 TRP 24 29.832 -15.060 1.776
202 HD1 TRP 24 HD1 TRP 24 30.626 -18.716 0.810
203 HE1 TRP 24 HE1 TRP 24 30.045 -20.227 2.823
204 HE3 TRP 24 HE3 TRP 24 28.941 -15.197 4.080
205 HZ2 TRP 24 HZ2 TRP 24 29.002 -19.965 5.469
206 HZ3 TRP 24 HZ3 TRP 24 28.157 -15.846 6.344
207 HH2 TRP 24 HH2 TRP 24 28.186 -18.225 7.040
208 H LEU 25 HN LEU 25 27.851 -15.038 1.814
209 HA LEU 25 HA LEU 25 26.063 -16.620 2.851
210 HB2 LEU 25 HB2 LEU 25 25.756 -13.875 1.794
211 HB3 LEU 25 HB1 LEU 25 24.261 -14.722 2.193
212 HG LEU 25 HG LEU 25 26.579 -14.737 4.106
213 HD11 LEU 25 HD11 LEU 25 25.623 -12.756 5.208
214 HD12 LEU 25 HD12 LEU 25 24.402 -12.631 3.942
215 HD13 LEU 25 HD13 LEU 25 26.102 -12.368 3.556
216 HD21 LEU 25 HD21 LEU 25 23.761 -14.582 4.999
217 HD22 LEU 25 HD22 LEU 25 25.068 -15.618 5.575
218 HD23 LEU 25 HD23 LEU 25 24.183 -16.047 4.113
219 H PHE 26 HN PHE 26 25.236 -15.211 -0.334
220 HA PHE 26 HA PHE 26 23.067 -17.031 -0.707
221 HB2 PHE 26 HB2 PHE 26 24.459 -15.541 -2.921
222 HB3 PHE 26 HB1 PHE 26 22.757 -15.981 -2.795
223 HD1 PHE 26 HD1 PHE 26 21.755 -15.141 -0.341
224 HD2 PHE 26 HD2 PHE 26 24.845 -13.254 -2.656
225 HE1 PHE 26 HE1 PHE 26 21.268 -12.982 0.769
226 HE2 PHE 26 HE2 PHE 26 24.356 -11.094 -1.545
227 HZ PHE 26 HZ PHE 26 22.571 -10.958 0.169
228 H LYS 27 HN LYS 27 26.135 -16.722 -2.501
229 HA LYS 27 HA LYS 27 25.935 -19.042 -3.993
230 HB2 LYS 27 HB2 LYS 27 28.551 -18.048 -2.866
231 HB3 LYS 27 HB1 LYS 27 28.264 -18.854 -4.406
232 HG2 LYS 27 HG2 LYS 27 27.353 -16.068 -3.624
233 HG3 LYS 27 HG1 LYS 27 28.561 -16.485 -4.837
234 HD2 LYS 27 HD2 LYS 27 26.658 -17.845 -5.956
235 HD3 LYS 27 HD1 LYS 27 25.578 -16.894 -4.937
236 HE2 LYS 27 HE2 LYS 27 27.176 -14.927 -5.925
237 HE3 LYS 27 HE1 LYS 27 27.187 -16.058 -7.278
238 HZ1 LYS 27 HZ1 LYS 27 25.351 -14.482 -7.426
239 HZ2 LYS 27 HZ2 LYS 27 24.754 -15.018 -5.929
240 HZ3 LYS 27 HZ3 LYS 27 24.783 -16.071 -7.262
241 H TYR 28 HN TYR 28 25.984 -18.927 -0.659
242 HA TYR 28 HA TYR 28 27.007 -21.706 -0.500
243 HB2 TYR 28 HB2 TYR 28 28.622 -20.859 0.823
244 HB3 TYR 28 HB1 TYR 28 27.769 -19.335 1.052
245 HD1 TYR 28 HD2 TYR 28 27.776 -22.912 2.088
246 HD2 TYR 28 HD1 TYR 28 26.541 -18.909 3.027
247 HE1 TYR 28 HE2 TYR 28 27.028 -23.669 4.331
248 HE2 TYR 28 HE1 TYR 28 25.793 -19.663 5.269
249 HH TYR 28 HH TYR 28 25.138 -22.645 6.077
250 H LEU 29 HN LEU 29 24.684 -19.324 0.652
251 HA LEU 29 HA LEU 29 23.302 -21.406 2.184
252 HB2 LEU 29 HB2 LEU 29 23.871 -19.074 3.145
253 HB3 LEU 29 HB1 LEU 29 22.551 -18.490 2.134
254 HG LEU 29 HG LEU 29 21.592 -20.800 3.494
255 HD11 LEU 29 HD11 LEU 29 21.870 -20.094 5.838
256 HD12 LEU 29 HD12 LEU 29 22.920 -18.776 5.319
257 HD13 LEU 29 HD13 LEU 29 23.431 -20.450 5.101
258 HD21 LEU 29 HD21 LEU 29 20.059 -19.106 4.503
259 HD22 LEU 29 HD22 LEU 29 20.222 -18.922 2.756
260 HD23 LEU 29 HD23 LEU 29 21.083 -17.831 3.844
261 H GLN 30 HN GLN 30 22.981 -19.292 -0.580
262 HA GLN 30 HA GLN 30 20.168 -19.956 -0.971
263 HB2 GLN 30 HB2 GLN 30 20.769 -17.693 -1.446
264 HB3 GLN 30 HB1 GLN 30 22.109 -18.198 -2.471
265 HG2 GLN 30 HG2 GLN 30 20.728 -18.849 -4.211
266 HG3 GLN 30 HG1 GLN 30 19.342 -19.112 -3.153
267 HE21 GLN 30 HE21 GLN 30 20.984 -16.157 -2.473
268 HE22 GLN 30 HE22 GLN 30 19.917 -15.125 -3.292
269 H LYS 31 HN LYS 31 23.147 -21.316 -1.769
270 HA LYS 31 HA LYS 31 22.055 -22.627 -4.180
271 HB2 LYS 31 HB2 LYS 31 24.807 -21.932 -3.268
272 HB3 LYS 31 HB1 LYS 31 24.611 -23.406 -4.216
273 HG2 LYS 31 HG2 LYS 31 25.059 -21.433 -5.655
274 HG3 LYS 31 HG1 LYS 31 23.487 -22.157 -5.993
275 HD2 LYS 31 HD2 LYS 31 22.318 -20.429 -4.887
276 HD3 LYS 31 HD1 LYS 31 23.755 -19.891 -4.020
277 HE2 LYS 31 HE2 LYS 31 24.754 -19.175 -6.187
278 HE3 LYS 31 HE1 LYS 31 23.260 -19.640 -7.001
279 HZ1 LYS 31 HZ1 LYS 31 22.108 -18.093 -5.417
280 HZ2 LYS 31 HZ2 LYS 31 23.102 -17.346 -6.575
281 HZ3 LYS 31 HZ3 LYS 31 23.639 -17.516 -4.972
282 H LYS 32 HN LYS 32 20.741 -23.698 -2.344
283 HA LYS 32 HA LYS 32 22.077 -26.248 -1.717
284 HB2 LYS 32 HB2 LYS 32 20.678 -24.378 0.176
285 HB3 LYS 32 HB1 LYS 32 20.666 -26.116 0.482
286 HG2 LYS 32 HG2 LYS 32 22.834 -26.111 1.142
287 HG3 LYS 32 HG1 LYS 32 23.331 -25.086 -0.206
288 HD2 LYS 32 HD2 LYS 32 23.651 -23.953 1.971
289 HD3 LYS 32 HD1 LYS 32 22.490 -23.114 0.940
290 HE2 LYS 32 HE2 LYS 32 20.803 -23.441 2.403
291 HE3 LYS 32 HE1 LYS 32 21.217 -25.145 2.608
292 HZ1 LYS 32 HZ1 LYS 32 22.576 -22.858 3.930
293 HZ2 LYS 32 HZ2 LYS 32 22.989 -24.493 4.119
294 HZ3 LYS 32 HZ3 LYS 32 21.487 -23.925 4.671
Start of MODEL 35
1 H1 LYS 1 HT1 LYS 1 21.141 17.340 -2.034
2 H2 LYS 1 HT2 LYS 1 21.312 16.908 -0.399
3 H3 LYS 1 HT3 LYS 1 20.300 18.200 -0.838
4 HA LYS 1 HA LYS 1 19.070 16.149 -0.274
5 HB2 LYS 1 HB2 LYS 1 18.549 18.004 -2.177
6 HB3 LYS 1 HB1 LYS 1 18.591 16.551 -3.177
7 HG2 LYS 1 HG2 LYS 1 17.003 15.474 -1.537
8 HG3 LYS 1 HG1 LYS 1 16.853 17.043 -0.745
9 HD2 LYS 1 HD2 LYS 1 15.215 17.511 -2.224
10 HD3 LYS 1 HD1 LYS 1 16.474 17.605 -3.454
11 HE2 LYS 1 HE2 LYS 1 16.227 15.194 -3.901
12 HE3 LYS 1 HE1 LYS 1 14.977 15.088 -2.661
13 HZ1 LYS 1 HZ1 LYS 1 14.402 15.469 -5.191
14 HZ2 LYS 1 HZ2 LYS 1 14.641 17.095 -4.758
15 HZ3 LYS 1 HZ3 LYS 1 13.473 16.160 -3.951
16 H LYS 2 HN LYS 2 21.872 15.408 -1.245
17 HA LYS 2 HA LYS 2 21.706 13.453 -3.262
18 HB2 LYS 2 HB2 LYS 2 23.828 14.422 -2.375
19 HB3 LYS 2 HB1 LYS 2 23.592 13.492 -0.895
20 HG2 LYS 2 HG2 LYS 2 23.259 11.704 -3.091
21 HG3 LYS 2 HG1 LYS 2 24.742 12.617 -3.368
22 HD2 LYS 2 HD2 LYS 2 24.052 11.182 -0.786
23 HD3 LYS 2 HD1 LYS 2 25.144 10.562 -2.024
24 HE2 LYS 2 HE2 LYS 2 25.960 13.224 -1.452
25 HE3 LYS 2 HE1 LYS 2 25.719 12.413 0.095
26 HZ1 LYS 2 HZ1 LYS 2 27.867 11.838 -0.436
27 HZ2 LYS 2 HZ2 LYS 2 27.554 11.722 -2.101
28 HZ3 LYS 2 HZ3 LYS 2 27.011 10.507 -1.043
29 H HIS 3 HN HIS 3 22.175 12.765 0.206
30 HA HIS 3 HA HIS 3 19.985 10.909 0.311
31 HB2 HIS 3 HB2 HIS 3 21.796 9.656 -0.967
32 HB3 HIS 3 HB1 HIS 3 22.744 9.699 0.521
33 HD2 HIS 3 HD2 HIS 3 22.280 6.786 0.579
34 HE1 HIS 3 HE1 HIS 3 18.281 7.203 1.864
35 HE2 HIS 3 HE2 HIS 3 20.196 5.561 1.563
36 H THR 4 HN THR 4 22.070 9.428 2.221
37 HA THR 4 HA THR 4 21.780 11.335 4.467
38 HB THR 4 HB THR 4 20.122 9.646 4.831
39 HG1 THR 4 HG1 THR 4 21.047 9.921 6.736
40 HG21 THR 4 HG21 THR 4 20.348 7.653 3.823
41 HG22 THR 4 HG22 THR 4 21.583 7.233 5.007
42 HG23 THR 4 HG23 THR 4 22.046 7.978 3.476
43 H ILE 5 HN ILE 5 23.019 8.383 5.412
44 HA ILE 5 HA ILE 5 25.790 9.398 5.232
45 HB ILE 5 HB ILE 5 26.106 7.814 7.245
46 HG12 ILE 5 HG12 ILE 5 23.295 8.304 7.975
47 HG13 ILE 5 HG11 ILE 5 23.501 7.137 6.669
48 HG21 ILE 5 HG21 ILE 5 24.936 9.626 8.743
49 HG22 ILE 5 HG22 ILE 5 24.659 10.444 7.205
50 HG23 ILE 5 HG23 ILE 5 26.304 10.089 7.731
51 HD11 ILE 5 HD11 ILE 5 23.552 6.200 9.056
52 HD12 ILE 5 HD12 ILE 5 25.124 6.987 9.208
53 HD13 ILE 5 HD13 ILE 5 24.879 5.731 7.993
54 H TRP 6 HN TRP 6 23.627 6.810 4.505
55 HA TRP 6 HA TRP 6 25.187 4.574 4.314
56 HB2 TRP 6 HB2 TRP 6 22.788 5.547 3.041
57 HB3 TRP 6 HB1 TRP 6 23.771 4.656 1.879
58 HD1 TRP 6 HD1 TRP 6 22.658 2.356 1.800
59 HE1 TRP 6 HE1 TRP 6 22.075 0.544 3.531
60 HE3 TRP 6 HE3 TRP 6 23.720 4.885 6.097
61 HZ2 TRP 6 HZ2 TRP 6 22.064 0.213 6.367
62 HZ3 TRP 6 HZ3 TRP 6 23.415 3.799 8.305
63 HH2 TRP 6 HH2 TRP 6 22.589 1.466 8.445
64 H GLU 7 HN GLU 7 24.851 7.003 1.717
65 HA GLU 7 HA GLU 7 26.803 5.926 0.018
66 HB2 GLU 7 HB2 GLU 7 25.222 8.333 0.197
67 HB3 GLU 7 HB1 GLU 7 26.859 8.705 -0.344
68 HG2 GLU 7 HG2 GLU 7 25.138 6.519 -1.540
69 HG3 GLU 7 HG1 GLU 7 25.279 8.139 -2.217
70 H VAL 8 HN VAL 8 27.234 7.182 3.068
71 HA VAL 8 HA VAL 8 29.978 8.102 2.500
72 HB VAL 8 HB VAL 8 28.526 8.454 5.117
73 HG11 VAL 8 HG11 VAL 8 30.221 9.956 5.616
74 HG12 VAL 8 HG12 VAL 8 30.537 10.322 3.919
75 HG13 VAL 8 HG13 VAL 8 31.105 8.804 4.614
76 HG21 VAL 8 HG21 VAL 8 27.873 10.695 4.303
77 HG22 VAL 8 HG22 VAL 8 27.135 9.434 3.318
78 HG23 VAL 8 HG23 VAL 8 28.539 10.314 2.716
79 H ILE 9 HN ILE 9 28.072 5.855 4.451
80 HA ILE 9 HA ILE 9 30.571 4.529 5.279
81 HB ILE 9 HB ILE 9 29.612 5.125 7.281
82 HG12 ILE 9 HG12 ILE 9 29.536 2.455 6.792
83 HG13 ILE 9 HG11 ILE 9 29.109 3.174 8.331
84 HG21 ILE 9 HG21 ILE 9 26.947 4.798 5.918
85 HG22 ILE 9 HG22 ILE 9 27.701 6.270 6.525
86 HG23 ILE 9 HG23 ILE 9 27.103 5.066 7.658
87 HD11 ILE 9 HD11 ILE 9 26.782 3.041 7.897
88 HD12 ILE 9 HD12 ILE 9 27.434 1.496 7.358
89 HD13 ILE 9 HD13 ILE 9 27.032 2.737 6.181
90 H ALA 10 HN ALA 10 27.227 3.976 4.219
91 HA ALA 10 HA ALA 10 27.584 1.164 3.825
92 HB1 ALA 10 HB1 ALA 10 25.364 2.252 4.141
93 HB2 ALA 10 HB2 ALA 10 25.440 1.243 2.697
94 HB3 ALA 10 HB3 ALA 10 25.540 2.996 2.552
95 H GLY 11 HN GLY 11 26.995 3.700 1.373
96 HA2 GLY 11 HA2 GLY 11 27.778 2.250 -0.855
97 HA3 GLY 11 HA1 GLY 11 27.917 4.004 -0.723
98 H LEU 12 HN LEU 12 29.614 3.273 1.786
99 HA LEU 12 HA LEU 12 32.144 3.094 0.309
100 HB2 LEU 12 HB2 LEU 12 31.638 5.052 1.879
101 HB3 LEU 12 HB1 LEU 12 31.820 3.893 3.197
102 HG LEU 12 HG LEU 12 34.054 3.312 1.808
103 HD11 LEU 12 HD11 LEU 12 35.000 5.169 0.723
104 HD12 LEU 12 HD12 LEU 12 33.889 6.302 1.492
105 HD13 LEU 12 HD13 LEU 12 33.314 5.237 0.209
106 HD21 LEU 12 HD21 LEU 12 33.683 5.587 3.782
107 HD22 LEU 12 HD22 LEU 12 35.236 4.855 3.381
108 HD23 LEU 12 HD23 LEU 12 33.991 3.896 4.179
109 H VAL 13 HN VAL 13 30.148 1.496 2.673
110 HA VAL 13 HA VAL 13 32.257 -0.553 3.052
111 HB VAL 13 HB VAL 13 29.962 0.134 4.906
112 HG11 VAL 13 HG11 VAL 13 31.276 -1.411 6.441
113 HG12 VAL 13 HG12 VAL 13 32.198 -1.903 5.020
114 HG13 VAL 13 HG13 VAL 13 30.461 -2.204 5.092
115 HG21 VAL 13 HG21 VAL 13 32.104 1.679 4.631
116 HG22 VAL 13 HG22 VAL 13 32.873 0.411 5.582
117 HG23 VAL 13 HG23 VAL 13 31.490 1.286 6.236
118 H ALA 14 HN ALA 14 28.698 -0.196 3.023
119 HA ALA 14 HA ALA 14 27.929 -2.802 2.767
120 HB1 ALA 14 HB1 ALA 14 26.816 -0.477 1.178
121 HB2 ALA 14 HB2 ALA 14 26.341 -0.920 2.818
122 HB3 ALA 14 HB3 ALA 14 25.995 -2.009 1.473
123 H LEU 15 HN LEU 15 29.158 -0.701 0.183
124 HA LEU 15 HA LEU 15 28.880 -2.639 -1.884
125 HB2 LEU 15 HB2 LEU 15 29.129 -0.190 -2.296
126 HB3 LEU 15 HB1 LEU 15 30.796 -0.295 -1.735
127 HG LEU 15 HG LEU 15 31.280 -1.946 -3.531
128 HD11 LEU 15 HD11 LEU 15 29.373 -1.800 -5.404
129 HD12 LEU 15 HD12 LEU 15 28.347 -1.591 -3.987
130 HD13 LEU 15 HD13 LEU 15 29.340 -3.038 -4.148
131 HD21 LEU 15 HD21 LEU 15 30.333 -0.023 -5.360
132 HD22 LEU 15 HD22 LEU 15 31.924 -0.069 -4.600
133 HD23 LEU 15 HD23 LEU 15 30.619 0.856 -3.859
134 H LEU 16 HN LEU 16 31.351 -1.886 0.475
135 HA LEU 16 HA LEU 16 33.238 -3.780 -0.698
136 HB2 LEU 16 HB2 LEU 16 33.549 -2.277 1.898
137 HB3 LEU 16 HB1 LEU 16 34.814 -2.958 0.873
138 HG LEU 16 HG LEU 16 32.995 -0.632 0.190
139 HD11 LEU 16 HD11 LEU 16 34.992 -0.296 1.762
140 HD12 LEU 16 HD12 LEU 16 34.961 0.713 0.315
141 HD13 LEU 16 HD13 LEU 16 36.012 -0.703 0.381
142 HD21 LEU 16 HD21 LEU 16 34.622 -0.568 -1.841
143 HD22 LEU 16 HD22 LEU 16 33.308 -1.745 -1.862
144 HD23 LEU 16 HD23 LEU 16 34.942 -2.256 -1.440
145 H THR 17 HN THR 17 30.570 -3.966 1.219
146 HA THR 17 HA THR 17 31.599 -6.307 2.704
147 HB THR 17 HB THR 17 29.689 -4.146 3.459
148 HG1 THR 17 HG1 THR 17 30.934 -4.124 5.204
149 HG21 THR 17 HG21 THR 17 29.489 -7.045 4.269
150 HG22 THR 17 HG22 THR 17 28.199 -5.962 3.743
151 HG23 THR 17 HG23 THR 17 28.934 -5.753 5.331
152 H PHE 18 HN PHE 18 28.474 -5.016 1.559
153 HA PHE 18 HA PHE 18 27.012 -7.309 1.408
154 HB2 PHE 18 HB2 PHE 18 26.425 -4.865 0.703
155 HB3 PHE 18 HB1 PHE 18 26.914 -5.400 -0.907
156 HD1 PHE 18 HD2 PHE 18 24.544 -5.980 1.881
157 HD2 PHE 18 HD1 PHE 18 25.595 -6.977 -2.163
158 HE1 PHE 18 HE2 PHE 18 22.356 -7.110 1.590
159 HE2 PHE 18 HE1 PHE 18 23.409 -8.107 -2.454
160 HZ PHE 18 HZ PHE 18 21.786 -8.173 -0.576
161 H LEU 19 HN LEU 19 29.389 -6.177 -0.969
162 HA LEU 19 HA LEU 19 28.940 -8.368 -2.773
163 HB2 LEU 19 HB2 LEU 19 31.006 -6.190 -2.559
164 HB3 LEU 19 HB1 LEU 19 31.200 -7.500 -3.720
165 HG LEU 19 HG LEU 19 30.043 -5.454 -4.647
166 HD11 LEU 19 HD11 LEU 19 28.980 -6.819 -6.098
167 HD12 LEU 19 HD12 LEU 19 27.871 -7.390 -4.852
168 HD13 LEU 19 HD13 LEU 19 29.445 -8.158 -5.047
169 HD21 LEU 19 HD21 LEU 19 27.862 -4.862 -3.904
170 HD22 LEU 19 HD22 LEU 19 28.806 -5.076 -2.429
171 HD23 LEU 19 HD23 LEU 19 27.700 -6.343 -2.959
172 H ALA 20 HN ALA 20 30.848 -7.880 0.062
173 HA ALA 20 HA ALA 20 32.689 -10.053 -0.533
174 HB1 ALA 20 HB1 ALA 20 32.666 -7.837 1.236
175 HB2 ALA 20 HB2 ALA 20 33.951 -9.023 1.004
176 HB3 ALA 20 HB3 ALA 20 32.715 -9.292 2.232
177 H PHE 21 HN PHE 21 30.050 -9.413 1.764
178 HA PHE 21 HA PHE 21 30.080 -12.140 2.736
179 HB2 PHE 21 HB2 PHE 21 28.289 -9.767 3.274
180 HB3 PHE 21 HB1 PHE 21 28.040 -11.351 4.009
181 HD1 PHE 21 HD2 PHE 21 30.761 -8.829 3.449
182 HD2 PHE 21 HD1 PHE 21 29.097 -11.827 6.038
183 HE1 PHE 21 HE2 PHE 21 32.477 -8.304 5.159
184 HE2 PHE 21 HE1 PHE 21 30.813 -11.302 7.747
185 HZ PHE 21 HZ PHE 21 32.505 -9.541 7.306
186 H GLY 22 HN GLY 22 27.957 -10.111 0.739
187 HA2 GLY 22 HA2 GLY 22 25.874 -11.930 0.328
188 HA3 GLY 22 HA1 GLY 22 26.337 -10.660 -0.801
189 H PHE 23 HN PHE 23 28.911 -11.494 -1.476
190 HA PHE 23 HA PHE 23 28.412 -13.324 -3.523
191 HB2 PHE 23 HB2 PHE 23 30.317 -12.049 -3.890
192 HB3 PHE 23 HB1 PHE 23 30.888 -12.241 -2.232
193 HD1 PHE 23 HD2 PHE 23 30.302 -14.125 -5.404
194 HD2 PHE 23 HD1 PHE 23 32.405 -13.944 -1.664
195 HE1 PHE 23 HE2 PHE 23 31.692 -16.058 -6.093
196 HE2 PHE 23 HE1 PHE 23 33.794 -15.877 -2.353
197 HZ PHE 23 HZ PHE 23 33.438 -16.936 -4.569
198 H TRP 24 HN TRP 24 28.699 -13.841 -0.216
199 HA TRP 24 HA TRP 24 29.387 -16.685 -0.604
200 HB2 TRP 24 HB2 TRP 24 30.959 -15.668 0.894
201 HB3 TRP 24 HB1 TRP 24 29.665 -14.902 1.816
202 HD1 TRP 24 HD1 TRP 24 30.347 -18.532 0.669
203 HE1 TRP 24 HE1 TRP 24 29.928 -20.101 2.676
204 HE3 TRP 24 HE3 TRP 24 29.067 -15.098 4.204
205 HZ2 TRP 24 HZ2 TRP 24 29.151 -19.913 5.419
206 HZ3 TRP 24 HZ3 TRP 24 28.490 -15.812 6.510
207 HH2 TRP 24 HH2 TRP 24 28.531 -18.214 7.119
208 H LEU 25 HN LEU 25 27.722 -14.945 1.978
209 HA LEU 25 HA LEU 25 25.991 -16.568 3.031
210 HB2 LEU 25 HB2 LEU 25 25.638 -13.786 2.114
211 HB3 LEU 25 HB1 LEU 25 24.154 -14.647 2.527
212 HG LEU 25 HG LEU 25 26.563 -14.711 4.338
213 HD11 LEU 25 HD11 LEU 25 24.275 -12.722 4.441
214 HD12 LEU 25 HD12 LEU 25 25.917 -12.336 3.928
215 HD13 LEU 25 HD13 LEU 25 25.607 -12.839 5.591
216 HD21 LEU 25 HD21 LEU 25 25.194 -15.833 5.757
217 HD22 LEU 25 HD22 LEU 25 24.144 -16.071 4.362
218 HD23 LEU 25 HD23 LEU 25 23.852 -14.728 5.465
219 H PHE 26 HN PHE 26 25.090 -15.092 -0.106
220 HA PHE 26 HA PHE 26 22.896 -16.916 -0.426
221 HB2 PHE 26 HB2 PHE 26 24.129 -15.323 -2.658
222 HB3 PHE 26 HB1 PHE 26 22.442 -15.784 -2.435
223 HD1 PHE 26 HD2 PHE 26 21.623 -15.038 0.125
224 HD2 PHE 26 HD1 PHE 26 24.485 -13.038 -2.379
225 HE1 PHE 26 HE2 PHE 26 21.185 -12.916 1.322
226 HE2 PHE 26 HE1 PHE 26 24.048 -10.914 -1.177
227 HZ PHE 26 HZ PHE 26 22.404 -10.855 0.676
228 H LYS 27 HN LYS 27 25.923 -16.465 -2.258
229 HA LYS 27 HA LYS 27 25.628 -18.741 -3.855
230 HB2 LYS 27 HB2 LYS 27 28.305 -17.638 -2.993
231 HB3 LYS 27 HB1 LYS 27 27.909 -18.464 -4.493
232 HG2 LYS 27 HG2 LYS 27 26.578 -15.842 -3.776
233 HG3 LYS 27 HG1 LYS 27 28.147 -15.873 -4.552
234 HD2 LYS 27 HD2 LYS 27 25.854 -17.437 -5.709
235 HD3 LYS 27 HD1 LYS 27 26.032 -15.719 -6.043
236 HE2 LYS 27 HE2 LYS 27 27.774 -16.062 -7.445
237 HE3 LYS 27 HE1 LYS 27 28.534 -17.231 -6.366
238 HZ1 LYS 27 HZ1 LYS 27 26.416 -18.613 -7.168
239 HZ2 LYS 27 HZ2 LYS 27 27.915 -18.660 -7.966
240 HZ3 LYS 27 HZ3 LYS 27 26.669 -17.662 -8.549
241 H TYR 28 HN TYR 28 25.798 -18.787 -0.604
242 HA TYR 28 HA TYR 28 27.096 -21.449 -0.587
243 HB2 TYR 28 HB2 TYR 28 28.582 -20.566 0.860
244 HB3 TYR 28 HB1 TYR 28 27.612 -19.118 1.109
245 HD1 TYR 28 HD1 TYR 28 27.510 -22.788 1.891
246 HD2 TYR 28 HD2 TYR 28 26.648 -18.792 3.206
247 HE1 TYR 28 HE1 TYR 28 26.750 -23.671 4.082
248 HE2 TYR 28 HE2 TYR 28 25.889 -19.672 5.394
249 HH TYR 28 HH TYR 28 25.037 -21.765 6.336
250 H LEU 29 HN LEU 29 24.684 -19.346 0.971
251 HA LEU 29 HA LEU 29 23.373 -21.696 2.121
252 HB2 LEU 29 HB2 LEU 29 23.759 -19.219 3.143
253 HB3 LEU 29 HB1 LEU 29 22.150 -19.022 2.446
254 HG LEU 29 HG LEU 29 22.989 -21.211 4.370
255 HD11 LEU 29 HD11 LEU 29 21.240 -20.013 5.812
256 HD12 LEU 29 HD12 LEU 29 21.375 -18.673 4.671
257 HD13 LEU 29 HD13 LEU 29 22.784 -19.185 5.603
258 HD21 LEU 29 HD21 LEU 29 20.351 -21.404 4.363
259 HD22 LEU 29 HD22 LEU 29 21.299 -22.208 3.111
260 HD23 LEU 29 HD23 LEU 29 20.509 -20.668 2.768
261 H GLN 30 HN GLN 30 22.709 -19.077 -0.170
262 HA GLN 30 HA GLN 30 20.054 -20.030 -0.766
263 HB2 GLN 30 HB2 GLN 30 20.545 -17.667 -1.002
264 HB3 GLN 30 HB1 GLN 30 21.831 -18.015 -2.153
265 HG2 GLN 30 HG2 GLN 30 20.398 -18.418 -3.867
266 HG3 GLN 30 HG1 GLN 30 19.175 -19.133 -2.819
267 HE21 GLN 30 HE21 GLN 30 20.505 -15.995 -1.948
268 HE22 GLN 30 HE22 GLN 30 19.129 -15.091 -2.364
269 H LYS 31 HN LYS 31 23.221 -20.839 -1.762
270 HA LYS 31 HA LYS 31 22.185 -22.275 -4.135
271 HB2 LYS 31 HB2 LYS 31 24.781 -20.905 -3.560
272 HB3 LYS 31 HB1 LYS 31 24.794 -22.318 -4.613
273 HG2 LYS 31 HG2 LYS 31 24.515 -20.132 -5.833
274 HG3 LYS 31 HG1 LYS 31 23.221 -21.293 -6.130
275 HD2 LYS 31 HD2 LYS 31 21.680 -20.109 -4.844
276 HD3 LYS 31 HD1 LYS 31 22.931 -19.310 -3.891
277 HE2 LYS 31 HE2 LYS 31 22.929 -18.735 -6.808
278 HE3 LYS 31 HE1 LYS 31 21.584 -18.073 -5.880
279 HZ1 LYS 31 HZ1 LYS 31 22.904 -16.575 -4.947
280 HZ2 LYS 31 HZ2 LYS 31 24.100 -17.018 -6.068
281 HZ3 LYS 31 HZ3 LYS 31 24.068 -17.734 -4.528
282 H LYS 32 HN LYS 32 21.512 -23.790 -2.273
283 HA LYS 32 HA LYS 32 23.526 -25.890 -2.139
284 HB2 LYS 32 HB2 LYS 32 23.266 -26.180 0.297
285 HB3 LYS 32 HB1 LYS 32 23.966 -24.610 -0.100
286 HG2 LYS 32 HG2 LYS 32 22.334 -23.751 1.214
287 HG3 LYS 32 HG1 LYS 32 21.258 -24.081 -0.146
288 HD2 LYS 32 HD2 LYS 32 20.984 -26.431 0.836
289 HD3 LYS 32 HD1 LYS 32 21.757 -25.800 2.290
290 HE2 LYS 32 HE2 LYS 32 19.685 -25.150 2.921
291 HE3 LYS 32 HE1 LYS 32 19.854 -23.873 1.719
292 HZ1 LYS 32 HZ1 LYS 32 18.974 -25.527 0.071
293 HZ2 LYS 32 HZ2 LYS 32 17.857 -24.992 1.234
294 HZ3 LYS 32 HZ3 LYS 32 18.576 -26.524 1.383
Start of MODEL 36
1 H1 LYS 1 HT1 LYS 1 23.804 18.645 1.974
2 H2 LYS 1 HT2 LYS 1 24.096 17.024 1.560
3 H3 LYS 1 HT3 LYS 1 22.505 17.617 1.611
4 HA LYS 1 HA LYS 1 22.728 18.824 -0.330
5 HB2 LYS 1 HB2 LYS 1 24.965 19.779 0.524
6 HB3 LYS 1 HB1 LYS 1 25.718 18.404 -0.283
7 HG2 LYS 1 HG2 LYS 1 24.471 19.097 -2.385
8 HG3 LYS 1 HG1 LYS 1 24.040 20.584 -1.543
9 HD2 LYS 1 HD2 LYS 1 26.004 21.403 -2.315
10 HD3 LYS 1 HD1 LYS 1 26.764 20.388 -1.087
11 HE2 LYS 1 HE2 LYS 1 27.828 19.837 -3.163
12 HE3 LYS 1 HE1 LYS 1 26.731 18.503 -2.800
13 HZ1 LYS 1 HZ1 LYS 1 26.770 20.075 -5.077
14 HZ2 LYS 1 HZ2 LYS 1 25.366 20.522 -4.229
15 HZ3 LYS 1 HZ3 LYS 1 25.622 18.898 -4.657
16 H LYS 2 HN LYS 2 24.594 15.981 0.534
17 HA LYS 2 HA LYS 2 24.237 14.849 -2.153
18 HB2 LYS 2 HB2 LYS 2 26.431 14.453 -1.450
19 HB3 LYS 2 HB1 LYS 2 25.946 14.141 0.217
20 HG2 LYS 2 HG2 LYS 2 25.133 11.989 -0.292
21 HG3 LYS 2 HG1 LYS 2 25.015 12.342 -2.016
22 HD2 LYS 2 HD2 LYS 2 26.954 10.873 -1.484
23 HD3 LYS 2 HD1 LYS 2 27.454 12.406 -2.201
24 HE2 LYS 2 HE2 LYS 2 28.129 13.289 -0.092
25 HE3 LYS 2 HE1 LYS 2 27.308 12.001 0.791
26 HZ1 LYS 2 HZ1 LYS 2 29.735 11.691 0.632
27 HZ2 LYS 2 HZ2 LYS 2 29.594 11.575 -1.056
28 HZ3 LYS 2 HZ3 LYS 2 28.861 10.412 -0.057
29 H HIS 3 HN HIS 3 24.008 13.517 1.147
30 HA HIS 3 HA HIS 3 21.283 12.737 0.914
31 HB2 HIS 3 HB2 HIS 3 21.381 10.547 0.238
32 HB3 HIS 3 HB1 HIS 3 22.792 11.138 -0.637
33 HD2 HIS 3 HD2 HIS 3 22.374 8.032 0.958
34 HE1 HIS 3 HE1 HIS 3 25.785 9.410 3.018
35 HE2 HIS 3 HE2 HIS 3 24.371 7.368 2.502
36 H THR 4 HN THR 4 21.511 10.353 2.550
37 HA THR 4 HA THR 4 21.830 11.598 5.106
38 HB THR 4 HB THR 4 20.206 9.894 5.064
39 HG1 THR 4 HG1 THR 4 21.349 8.144 6.315
40 HG21 THR 4 HG21 THR 4 20.813 8.755 3.017
41 HG22 THR 4 HG22 THR 4 20.752 7.559 4.309
42 HG23 THR 4 HG23 THR 4 22.305 8.157 3.738
43 H ILE 5 HN ILE 5 23.142 8.506 5.305
44 HA ILE 5 HA ILE 5 25.911 9.550 5.331
45 HB ILE 5 HB ILE 5 26.213 7.877 7.261
46 HG12 ILE 5 HG12 ILE 5 23.414 8.357 8.034
47 HG13 ILE 5 HG11 ILE 5 23.599 7.257 6.668
48 HG21 ILE 5 HG21 ILE 5 25.319 9.584 8.900
49 HG22 ILE 5 HG22 ILE 5 24.619 10.436 7.524
50 HG23 ILE 5 HG23 ILE 5 26.368 10.249 7.647
51 HD11 ILE 5 HD11 ILE 5 24.964 5.767 7.909
52 HD12 ILE 5 HD12 ILE 5 23.652 6.199 9.007
53 HD13 ILE 5 HD13 ILE 5 25.236 6.954 9.184
54 H TRP 6 HN TRP 6 23.707 6.978 4.565
55 HA TRP 6 HA TRP 6 25.207 4.742 4.242
56 HB2 TRP 6 HB2 TRP 6 22.888 5.873 2.938
57 HB3 TRP 6 HB1 TRP 6 23.867 4.965 1.789
58 HD1 TRP 6 HD1 TRP 6 22.574 2.765 1.609
59 HE1 TRP 6 HE1 TRP 6 21.881 0.920 3.262
60 HE3 TRP 6 HE3 TRP 6 23.790 5.035 6.011
61 HZ2 TRP 6 HZ2 TRP 6 21.848 0.466 6.081
62 HZ3 TRP 6 HZ3 TRP 6 23.420 3.876 8.168
63 HH2 TRP 6 HH2 TRP 6 22.450 1.596 8.211
64 H GLU 7 HN GLU 7 24.843 6.881 1.422
65 HA GLU 7 HA GLU 7 26.919 5.902 -0.070
66 HB2 GLU 7 HB2 GLU 7 25.881 8.724 0.141
67 HB3 GLU 7 HB1 GLU 7 27.065 8.226 -1.063
68 HG2 GLU 7 HG2 GLU 7 24.786 6.400 -0.905
69 HG3 GLU 7 HG1 GLU 7 24.309 8.043 -1.331
70 H VAL 8 HN VAL 8 27.233 7.483 2.943
71 HA VAL 8 HA VAL 8 30.004 8.266 2.368
72 HB VAL 8 HB VAL 8 28.453 8.763 4.918
73 HG11 VAL 8 HG11 VAL 8 30.402 9.528 5.715
74 HG12 VAL 8 HG12 VAL 8 30.552 10.623 4.341
75 HG13 VAL 8 HG13 VAL 8 31.203 8.988 4.240
76 HG21 VAL 8 HG21 VAL 8 29.064 11.053 3.210
77 HG22 VAL 8 HG22 VAL 8 27.540 10.609 3.971
78 HG23 VAL 8 HG23 VAL 8 27.986 9.909 2.413
79 H ILE 9 HN ILE 9 28.115 5.971 4.256
80 HA ILE 9 HA ILE 9 30.635 4.691 5.111
81 HB ILE 9 HB ILE 9 29.712 5.309 7.125
82 HG12 ILE 9 HG12 ILE 9 29.673 2.641 6.671
83 HG13 ILE 9 HG11 ILE 9 29.246 3.364 8.207
84 HG21 ILE 9 HG21 ILE 9 27.211 5.206 7.553
85 HG22 ILE 9 HG22 ILE 9 27.030 4.938 5.817
86 HG23 ILE 9 HG23 ILE 9 27.779 6.416 6.413
87 HD11 ILE 9 HD11 ILE 9 26.920 3.177 7.797
88 HD12 ILE 9 HD12 ILE 9 27.598 1.643 7.256
89 HD13 ILE 9 HD13 ILE 9 27.158 2.872 6.081
90 H ALA 10 HN ALA 10 27.291 4.149 4.078
91 HA ALA 10 HA ALA 10 27.578 1.324 3.756
92 HB1 ALA 10 HB1 ALA 10 25.615 3.218 2.443
93 HB2 ALA 10 HB2 ALA 10 25.379 2.424 4.000
94 HB3 ALA 10 HB3 ALA 10 25.465 1.464 2.526
95 H GLY 11 HN GLY 11 27.099 3.804 1.223
96 HA2 GLY 11 HA2 GLY 11 27.883 2.278 -0.951
97 HA3 GLY 11 HA1 GLY 11 28.075 4.029 -0.859
98 H LEU 12 HN LEU 12 29.701 3.325 1.698
99 HA LEU 12 HA LEU 12 32.249 3.038 0.279
100 HB2 LEU 12 HB2 LEU 12 31.790 5.034 1.798
101 HB3 LEU 12 HB1 LEU 12 31.871 3.897 3.145
102 HG LEU 12 HG LEU 12 34.128 3.196 1.841
103 HD11 LEU 12 HD11 LEU 12 33.538 5.130 0.200
104 HD12 LEU 12 HD12 LEU 12 35.196 5.009 0.789
105 HD13 LEU 12 HD13 LEU 12 34.093 6.189 1.498
106 HD21 LEU 12 HD21 LEU 12 33.720 5.452 3.823
107 HD22 LEU 12 HD22 LEU 12 35.301 4.781 3.429
108 HD23 LEU 12 HD23 LEU 12 34.078 3.765 4.186
109 H VAL 13 HN VAL 13 30.175 1.549 2.650
110 HA VAL 13 HA VAL 13 32.200 -0.570 3.081
111 HB VAL 13 HB VAL 13 29.921 0.259 4.893
112 HG11 VAL 13 HG11 VAL 13 30.225 -2.066 5.205
113 HG12 VAL 13 HG12 VAL 13 31.219 -1.330 6.462
114 HG13 VAL 13 HG13 VAL 13 31.972 -1.952 4.993
115 HG21 VAL 13 HG21 VAL 13 31.536 1.277 6.266
116 HG22 VAL 13 HG22 VAL 13 32.088 1.712 4.649
117 HG23 VAL 13 HG23 VAL 13 32.865 0.391 5.521
118 H ALA 14 HN ALA 14 28.658 -0.083 3.027
119 HA ALA 14 HA ALA 14 27.797 -2.665 2.782
120 HB1 ALA 14 HB1 ALA 14 26.791 -0.255 1.243
121 HB2 ALA 14 HB2 ALA 14 26.239 -0.790 2.831
122 HB3 ALA 14 HB3 ALA 14 25.920 -1.781 1.406
123 H LEU 15 HN LEU 15 28.966 -0.587 0.134
124 HA LEU 15 HA LEU 15 28.683 -2.544 -1.892
125 HB2 LEU 15 HB2 LEU 15 28.974 -0.110 -2.338
126 HB3 LEU 15 HB1 LEU 15 30.640 -0.230 -1.773
127 HG LEU 15 HG LEU 15 31.110 -1.902 -3.548
128 HD11 LEU 15 HD11 LEU 15 29.205 -1.774 -5.422
129 HD12 LEU 15 HD12 LEU 15 28.179 -1.531 -4.008
130 HD13 LEU 15 HD13 LEU 15 29.160 -2.989 -4.144
131 HD21 LEU 15 HD21 LEU 15 30.646 0.881 -3.844
132 HD22 LEU 15 HD22 LEU 15 30.044 0.110 -5.309
133 HD23 LEU 15 HD23 LEU 15 31.715 -0.138 -4.807
134 H LEU 16 HN LEU 16 31.156 -1.849 0.472
135 HA LEU 16 HA LEU 16 32.984 -3.814 -0.698
136 HB2 LEU 16 HB2 LEU 16 33.420 -2.220 1.822
137 HB3 LEU 16 HB1 LEU 16 34.632 -2.967 0.781
138 HG LEU 16 HG LEU 16 32.855 -0.611 0.092
139 HD11 LEU 16 HD11 LEU 16 34.988 -0.362 1.545
140 HD12 LEU 16 HD12 LEU 16 34.831 0.683 0.133
141 HD13 LEU 16 HD13 LEU 16 35.869 -0.742 0.065
142 HD21 LEU 16 HD21 LEU 16 34.661 -2.358 -1.577
143 HD22 LEU 16 HD22 LEU 16 34.370 -0.675 -2.021
144 HD23 LEU 16 HD23 LEU 16 33.022 -1.811 -1.931
145 H THR 17 HN THR 17 30.318 -4.015 1.106
146 HA THR 17 HA THR 17 31.355 -6.276 2.703
147 HB THR 17 HB THR 17 29.505 -4.061 3.480
148 HG1 THR 17 HG1 THR 17 31.752 -4.256 4.117
149 HG21 THR 17 HG21 THR 17 29.353 -6.937 4.375
150 HG22 THR 17 HG22 THR 17 28.036 -5.860 3.908
151 HG23 THR 17 HG23 THR 17 28.869 -5.622 5.443
152 H PHE 18 HN PHE 18 28.259 -4.902 1.572
153 HA PHE 18 HA PHE 18 26.643 -7.072 1.573
154 HB2 PHE 18 HB2 PHE 18 26.294 -4.657 0.592
155 HB3 PHE 18 HB1 PHE 18 26.700 -5.436 -0.937
156 HD1 PHE 18 HD2 PHE 18 24.484 -5.815 2.057
157 HD2 PHE 18 HD1 PHE 18 25.053 -6.621 -2.122
158 HE1 PHE 18 HE2 PHE 18 22.186 -6.737 1.923
159 HE2 PHE 18 HE1 PHE 18 22.756 -7.543 -2.258
160 HZ PHE 18 HZ PHE 18 21.321 -7.601 -0.236
161 H LEU 19 HN LEU 19 28.955 -6.293 -1.029
162 HA LEU 19 HA LEU 19 28.433 -8.696 -2.499
163 HB2 LEU 19 HB2 LEU 19 30.549 -6.561 -2.610
164 HB3 LEU 19 HB1 LEU 19 30.704 -8.020 -3.584
165 HG LEU 19 HG LEU 19 29.568 -6.093 -4.764
166 HD11 LEU 19 HD11 LEU 19 28.915 -8.821 -4.783
167 HD12 LEU 19 HD12 LEU 19 28.490 -7.632 -6.011
168 HD13 LEU 19 HD13 LEU 19 27.361 -7.991 -4.707
169 HD21 LEU 19 HD21 LEU 19 27.390 -5.391 -4.090
170 HD22 LEU 19 HD22 LEU 19 28.363 -5.388 -2.620
171 HD23 LEU 19 HD23 LEU 19 27.245 -6.714 -2.933
172 H ALA 20 HN ALA 20 31.131 -7.649 -0.413
173 HA ALA 20 HA ALA 20 32.763 -9.848 -0.546
174 HB1 ALA 20 HB1 ALA 20 33.839 -8.773 1.098
175 HB2 ALA 20 HB2 ALA 20 32.503 -9.048 2.215
176 HB3 ALA 20 HB3 ALA 20 32.496 -7.633 1.163
177 H PHE 21 HN PHE 21 30.067 -9.431 1.767
178 HA PHE 21 HA PHE 21 30.235 -12.193 2.604
179 HB2 PHE 21 HB2 PHE 21 28.305 -9.958 3.245
180 HB3 PHE 21 HB1 PHE 21 28.167 -11.583 3.917
181 HD1 PHE 21 HD1 PHE 21 30.585 -8.752 3.535
182 HD2 PHE 21 HD2 PHE 21 29.393 -12.183 5.828
183 HE1 PHE 21 HE1 PHE 21 32.279 -8.189 5.257
184 HE2 PHE 21 HE2 PHE 21 31.087 -11.619 7.551
185 HZ PHE 21 HZ PHE 21 32.529 -9.622 7.265
186 H GLY 22 HN GLY 22 28.163 -10.225 0.531
187 HA2 GLY 22 HA2 GLY 22 26.059 -12.002 0.101
188 HA3 GLY 22 HA1 GLY 22 26.620 -10.815 -1.072
189 H PHE 23 HN PHE 23 29.162 -11.730 -1.622
190 HA PHE 23 HA PHE 23 28.734 -13.653 -3.578
191 HB2 PHE 23 HB2 PHE 23 31.023 -12.288 -2.434
192 HB3 PHE 23 HB1 PHE 23 31.413 -13.959 -2.836
193 HD1 PHE 23 HD2 PHE 23 30.297 -14.765 -5.163
194 HD2 PHE 23 HD1 PHE 23 31.305 -10.717 -4.140
195 HE1 PHE 23 HE2 PHE 23 30.384 -14.176 -7.571
196 HE2 PHE 23 HE1 PHE 23 31.393 -10.129 -6.545
197 HZ PHE 23 HZ PHE 23 30.932 -11.859 -8.262
198 H TRP 24 HN TRP 24 28.933 -14.028 -0.214
199 HA TRP 24 HA TRP 24 29.495 -16.910 -0.457
200 HB2 TRP 24 HB2 TRP 24 31.009 -15.891 1.090
201 HB3 TRP 24 HB1 TRP 24 29.697 -15.023 1.890
202 HD1 TRP 24 HD1 TRP 24 30.363 -18.727 1.000
203 HE1 TRP 24 HE1 TRP 24 29.732 -20.172 3.045
204 HE3 TRP 24 HE3 TRP 24 28.846 -15.077 4.208
205 HZ2 TRP 24 HZ2 TRP 24 28.716 -19.815 5.691
206 HZ3 TRP 24 HZ3 TRP 24 28.047 -15.648 6.489
207 HH2 TRP 24 HH2 TRP 24 27.981 -18.012 7.233
208 H LEU 25 HN LEU 25 27.703 -14.970 1.903
209 HA LEU 25 HA LEU 25 25.880 -16.499 2.957
210 HB2 LEU 25 HB2 LEU 25 25.617 -13.786 1.806
211 HB3 LEU 25 HB1 LEU 25 24.109 -14.603 2.220
212 HG LEU 25 HG LEU 25 26.417 -14.566 4.155
213 HD11 LEU 25 HD11 LEU 25 24.242 -12.466 3.903
214 HD12 LEU 25 HD12 LEU 25 25.944 -12.217 3.518
215 HD13 LEU 25 HD13 LEU 25 25.456 -12.548 5.179
216 HD21 LEU 25 HD21 LEU 25 24.898 -15.412 5.631
217 HD22 LEU 25 HD22 LEU 25 23.998 -15.857 4.181
218 HD23 LEU 25 HD23 LEU 25 23.604 -14.369 5.044
219 H PHE 26 HN PHE 26 25.235 -15.246 -0.331
220 HA PHE 26 HA PHE 26 23.030 -17.056 -0.708
221 HB2 PHE 26 HB2 PHE 26 24.470 -15.624 -2.926
222 HB3 PHE 26 HB1 PHE 26 22.759 -16.031 -2.804
223 HD1 PHE 26 HD1 PHE 26 21.783 -15.117 -0.349
224 HD2 PHE 26 HD2 PHE 26 24.857 -13.329 -2.759
225 HE1 PHE 26 HE1 PHE 26 21.322 -12.919 0.694
226 HE2 PHE 26 HE2 PHE 26 24.394 -11.130 -1.716
227 HZ PHE 26 HZ PHE 26 22.631 -10.925 0.013
228 H LYS 27 HN LYS 27 26.095 -16.736 -2.504
229 HA LYS 27 HA LYS 27 25.999 -19.062 -3.948
230 HB2 LYS 27 HB2 LYS 27 28.554 -18.069 -2.686
231 HB3 LYS 27 HB1 LYS 27 28.351 -18.886 -4.235
232 HG2 LYS 27 HG2 LYS 27 27.422 -16.092 -3.514
233 HG3 LYS 27 HG1 LYS 27 28.663 -16.533 -4.685
234 HD2 LYS 27 HD2 LYS 27 26.793 -17.871 -5.869
235 HD3 LYS 27 HD1 LYS 27 25.680 -16.932 -4.873
236 HE2 LYS 27 HE2 LYS 27 27.786 -15.734 -6.700
237 HE3 LYS 27 HE1 LYS 27 26.073 -15.878 -7.095
238 HZ1 LYS 27 HZ1 LYS 27 27.317 -13.849 -5.672
239 HZ2 LYS 27 HZ2 LYS 27 26.369 -14.702 -4.551
240 HZ3 LYS 27 HZ3 LYS 27 25.656 -14.050 -5.948
241 H TYR 28 HN TYR 28 26.093 -18.872 -0.565
242 HA TYR 28 HA TYR 28 27.097 -21.654 -0.364
243 HB2 TYR 28 HB2 TYR 28 28.471 -20.801 1.193
244 HB3 TYR 28 HB1 TYR 28 27.589 -19.279 1.257
245 HD1 TYR 28 HD1 TYR 28 27.201 -22.872 2.257
246 HD2 TYR 28 HD2 TYR 28 26.393 -18.759 3.193
247 HE1 TYR 28 HE1 TYR 28 26.167 -23.562 4.406
248 HE2 TYR 28 HE2 TYR 28 25.358 -19.447 5.337
249 HH TYR 28 HH TYR 28 25.608 -22.691 6.538
250 H LEU 29 HN LEU 29 24.734 -19.401 1.085
251 HA LEU 29 HA LEU 29 23.203 -21.623 2.157
252 HB2 LEU 29 HB2 LEU 29 23.579 -19.132 3.080
253 HB3 LEU 29 HB1 LEU 29 22.095 -18.867 2.164
254 HG LEU 29 HG LEU 29 22.502 -20.991 4.293
255 HD11 LEU 29 HD11 LEU 29 22.312 -18.838 5.339
256 HD12 LEU 29 HD12 LEU 29 20.729 -19.603 5.466
257 HD13 LEU 29 HD13 LEU 29 21.010 -18.357 4.251
258 HD21 LEU 29 HD21 LEU 29 20.280 -20.347 2.370
259 HD22 LEU 29 HD22 LEU 29 19.892 -21.019 3.953
260 HD23 LEU 29 HD23 LEU 29 20.920 -21.922 2.840
261 H GLN 30 HN GLN 30 22.780 -19.102 -0.307
262 HA GLN 30 HA GLN 30 20.175 -19.984 -1.095
263 HB2 GLN 30 HB2 GLN 30 20.910 -17.691 -1.490
264 HB3 GLN 30 HB1 GLN 30 22.203 -18.268 -2.538
265 HG2 GLN 30 HG2 GLN 30 20.805 -18.671 -4.282
266 HG3 GLN 30 HG1 GLN 30 19.506 -19.244 -3.238
267 HE21 GLN 30 HE21 GLN 30 20.966 -16.115 -2.554
268 HE22 GLN 30 HE22 GLN 30 19.653 -15.182 -3.088
269 H LYS 31 HN LYS 31 23.325 -21.135 -1.677
270 HA LYS 31 HA LYS 31 22.402 -22.704 -4.010
271 HB2 LYS 31 HB2 LYS 31 25.021 -21.471 -3.307
272 HB3 LYS 31 HB1 LYS 31 25.045 -23.015 -4.159
273 HG2 LYS 31 HG2 LYS 31 25.060 -21.063 -5.714
274 HG3 LYS 31 HG1 LYS 31 23.651 -22.101 -5.939
275 HD2 LYS 31 HD2 LYS 31 22.193 -20.564 -4.974
276 HD3 LYS 31 HD1 LYS 31 23.469 -19.793 -4.029
277 HE2 LYS 31 HE2 LYS 31 24.157 -18.468 -5.783
278 HE3 LYS 31 HE1 LYS 31 23.696 -19.657 -7.002
279 HZ1 LYS 31 HZ1 LYS 31 22.104 -17.579 -5.740
280 HZ2 LYS 31 HZ2 LYS 31 21.320 -19.065 -5.998
281 HZ3 LYS 31 HZ3 LYS 31 22.005 -18.224 -7.305
282 H LYS 32 HN LYS 32 21.444 -24.309 -2.669
283 HA LYS 32 HA LYS 32 23.427 -26.140 -1.492
284 HB2 LYS 32 HB2 LYS 32 21.548 -24.635 -0.008
285 HB3 LYS 32 HB1 LYS 32 20.963 -26.298 -0.027
286 HG2 LYS 32 HG2 LYS 32 23.173 -27.090 0.730
287 HG3 LYS 32 HG1 LYS 32 23.764 -25.429 0.747
288 HD2 LYS 32 HD2 LYS 32 21.273 -26.041 2.281
289 HD3 LYS 32 HD1 LYS 32 22.813 -26.567 2.958
290 HE2 LYS 32 HE2 LYS 32 23.688 -24.284 2.817
291 HE3 LYS 32 HE1 LYS 32 22.190 -23.738 2.064
292 HZ1 LYS 32 HZ1 LYS 32 22.459 -24.887 4.788
293 HZ2 LYS 32 HZ2 LYS 32 20.996 -24.424 4.062
294 HZ3 LYS 32 HZ3 LYS 32 22.179 -23.256 4.416
Start of MODEL 37
1 H1 LYS 1 HT1 LYS 1 24.311 16.415 2.151
2 H2 LYS 1 HT2 LYS 1 23.779 17.892 1.498
3 H3 LYS 1 HT3 LYS 1 24.866 17.879 2.804
4 HA LYS 1 HA LYS 1 25.973 18.401 0.697
5 HB2 LYS 1 HB2 LYS 1 26.713 16.521 2.678
6 HB3 LYS 1 HB1 LYS 1 27.192 15.821 1.131
7 HG2 LYS 1 HG2 LYS 1 28.388 17.882 0.544
8 HG3 LYS 1 HG1 LYS 1 27.878 18.625 2.061
9 HD2 LYS 1 HD2 LYS 1 29.246 15.990 2.264
10 HD3 LYS 1 HD1 LYS 1 30.246 17.365 1.793
11 HE2 LYS 1 HE2 LYS 1 29.562 18.606 3.770
12 HE3 LYS 1 HE1 LYS 1 28.422 17.337 4.214
13 HZ1 LYS 1 HZ1 LYS 1 30.162 15.845 4.655
14 HZ2 LYS 1 HZ2 LYS 1 30.640 17.307 5.378
15 HZ3 LYS 1 HZ3 LYS 1 31.320 16.825 3.898
16 H LYS 2 HN LYS 2 24.455 15.196 0.846
17 HA LYS 2 HA LYS 2 23.854 15.266 -1.970
18 HB2 LYS 2 HB2 LYS 2 25.082 13.042 -2.360
19 HB3 LYS 2 HB1 LYS 2 26.064 14.506 -2.321
20 HG2 LYS 2 HG2 LYS 2 27.137 13.879 -0.423
21 HG3 LYS 2 HG1 LYS 2 25.655 13.283 0.325
22 HD2 LYS 2 HD2 LYS 2 25.822 11.177 -0.749
23 HD3 LYS 2 HD1 LYS 2 27.001 11.775 -1.917
24 HE2 LYS 2 HE2 LYS 2 27.790 10.342 0.163
25 HE3 LYS 2 HE1 LYS 2 28.752 11.711 -0.395
26 HZ1 LYS 2 HZ1 LYS 2 26.962 11.533 1.937
27 HZ2 LYS 2 HZ2 LYS 2 27.278 13.042 1.223
28 HZ3 LYS 2 HZ3 LYS 2 28.554 12.112 1.850
29 H HIS 3 HN HIS 3 23.993 13.505 1.068
30 HA HIS 3 HA HIS 3 21.282 12.650 0.859
31 HB2 HIS 3 HB2 HIS 3 21.446 10.470 0.184
32 HB3 HIS 3 HB1 HIS 3 22.872 11.075 -0.655
33 HD2 HIS 3 HD2 HIS 3 22.411 7.998 1.036
34 HE1 HIS 3 HE1 HIS 3 25.824 9.439 3.052
35 HE2 HIS 3 HE2 HIS 3 24.399 7.386 2.615
36 H THR 4 HN THR 4 21.528 10.332 2.544
37 HA THR 4 HA THR 4 21.865 11.628 5.073
38 HB THR 4 HB THR 4 20.225 9.938 5.072
39 HG1 THR 4 HG1 THR 4 21.026 9.369 6.908
40 HG21 THR 4 HG21 THR 4 20.826 8.748 3.047
41 HG22 THR 4 HG22 THR 4 20.744 7.585 4.367
42 HG23 THR 4 HG23 THR 4 22.307 8.148 3.788
43 H ILE 5 HN ILE 5 23.149 8.531 5.344
44 HA ILE 5 HA ILE 5 25.927 9.563 5.365
45 HB ILE 5 HB ILE 5 26.214 7.878 7.285
46 HG12 ILE 5 HG12 ILE 5 23.411 8.361 8.045
47 HG13 ILE 5 HG11 ILE 5 23.604 7.265 6.675
48 HG21 ILE 5 HG21 ILE 5 24.917 10.560 7.320
49 HG22 ILE 5 HG22 ILE 5 26.454 10.047 8.015
50 HG23 ILE 5 HG23 ILE 5 24.941 9.658 8.836
51 HD11 ILE 5 HD11 ILE 5 24.960 5.769 7.920
52 HD12 ILE 5 HD12 ILE 5 23.642 6.198 9.012
53 HD13 ILE 5 HD13 ILE 5 25.226 6.952 9.200
54 H TRP 6 HN TRP 6 23.721 6.996 4.579
55 HA TRP 6 HA TRP 6 25.220 4.762 4.248
56 HB2 TRP 6 HB2 TRP 6 22.906 5.899 2.943
57 HB3 TRP 6 HB1 TRP 6 23.891 4.998 1.791
58 HD1 TRP 6 HD1 TRP 6 22.599 2.799 1.591
59 HE1 TRP 6 HE1 TRP 6 21.895 0.943 3.229
60 HE3 TRP 6 HE3 TRP 6 23.794 5.039 6.017
61 HZ2 TRP 6 HZ2 TRP 6 21.847 0.471 6.044
62 HZ3 TRP 6 HZ3 TRP 6 23.411 3.866 8.163
63 HH2 TRP 6 HH2 TRP 6 22.439 1.584 8.185
64 H GLU 7 HN GLU 7 24.863 6.908 1.432
65 HA GLU 7 HA GLU 7 26.938 5.953 -0.066
66 HB2 GLU 7 HB2 GLU 7 26.000 8.809 0.203
67 HB3 GLU 7 HB1 GLU 7 27.097 8.247 -1.053
68 HG2 GLU 7 HG2 GLU 7 25.361 6.549 -1.709
69 HG3 GLU 7 HG1 GLU 7 24.258 7.314 -0.565
70 H VAL 8 HN VAL 8 27.245 7.544 2.964
71 HA VAL 8 HA VAL 8 30.030 8.282 2.412
72 HB VAL 8 HB VAL 8 28.476 8.766 4.961
73 HG11 VAL 8 HG11 VAL 8 30.427 9.510 5.771
74 HG12 VAL 8 HG12 VAL 8 30.589 10.615 4.406
75 HG13 VAL 8 HG13 VAL 8 31.229 8.975 4.294
76 HG21 VAL 8 HG21 VAL 8 27.575 10.626 4.027
77 HG22 VAL 8 HG22 VAL 8 28.027 9.942 2.465
78 HG23 VAL 8 HG23 VAL 8 29.106 11.070 3.279
79 H ILE 9 HN ILE 9 28.119 5.992 4.285
80 HA ILE 9 HA ILE 9 30.628 4.683 5.127
81 HB ILE 9 HB ILE 9 29.707 5.296 7.144
82 HG12 ILE 9 HG12 ILE 9 29.657 2.630 6.671
83 HG13 ILE 9 HG11 ILE 9 29.237 3.346 8.214
84 HG21 ILE 9 HG21 ILE 9 27.776 6.415 6.438
85 HG22 ILE 9 HG22 ILE 9 27.208 5.202 7.573
86 HG23 ILE 9 HG23 ILE 9 27.023 4.941 5.836
87 HD11 ILE 9 HD11 ILE 9 26.909 3.172 7.806
88 HD12 ILE 9 HD12 ILE 9 27.578 1.637 7.257
89 HD13 ILE 9 HD13 ILE 9 27.143 2.874 6.087
90 H ALA 10 HN ALA 10 27.278 4.166 4.095
91 HA ALA 10 HA ALA 10 27.549 1.344 3.753
92 HB1 ALA 10 HB1 ALA 10 25.602 3.259 2.448
93 HB2 ALA 10 HB2 ALA 10 25.357 2.446 3.995
94 HB3 ALA 10 HB3 ALA 10 25.445 1.504 2.508
95 H GLY 11 HN GLY 11 27.105 3.844 1.234
96 HA2 GLY 11 HA2 GLY 11 27.884 2.320 -0.945
97 HA3 GLY 11 HA1 GLY 11 28.086 4.070 -0.845
98 H LEU 12 HN LEU 12 29.696 3.332 1.717
99 HA LEU 12 HA LEU 12 32.248 3.039 0.302
100 HB2 LEU 12 HB2 LEU 12 31.788 5.031 1.835
101 HB3 LEU 12 HB1 LEU 12 31.877 3.884 3.173
102 HG LEU 12 HG LEU 12 34.129 3.182 1.896
103 HD11 LEU 12 HD11 LEU 12 33.765 4.855 0.096
104 HD12 LEU 12 HD12 LEU 12 35.245 5.175 0.998
105 HD13 LEU 12 HD13 LEU 12 33.802 6.141 1.305
106 HD21 LEU 12 HD21 LEU 12 34.078 3.842 4.223
107 HD22 LEU 12 HD22 LEU 12 33.732 5.518 3.791
108 HD23 LEU 12 HD23 LEU 12 35.309 4.820 3.422
109 H VAL 13 HN VAL 13 30.153 1.551 2.653
110 HA VAL 13 HA VAL 13 32.167 -0.576 3.097
111 HB VAL 13 HB VAL 13 29.872 0.264 4.881
112 HG11 VAL 13 HG11 VAL 13 31.545 -2.145 4.728
113 HG12 VAL 13 HG12 VAL 13 30.029 -1.882 5.589
114 HG13 VAL 13 HG13 VAL 13 31.555 -1.383 6.318
115 HG21 VAL 13 HG21 VAL 13 31.495 1.222 6.300
116 HG22 VAL 13 HG22 VAL 13 32.047 1.692 4.693
117 HG23 VAL 13 HG23 VAL 13 32.816 0.344 5.529
118 H ALA 14 HN ALA 14 28.629 -0.081 2.996
119 HA ALA 14 HA ALA 14 27.761 -2.658 2.733
120 HB1 ALA 14 HB1 ALA 14 26.774 -0.284 1.129
121 HB2 ALA 14 HB2 ALA 14 26.245 -0.719 2.754
122 HB3 ALA 14 HB3 ALA 14 25.886 -1.784 1.395
123 H LEU 15 HN LEU 15 28.970 -0.580 0.101
124 HA LEU 15 HA LEU 15 28.713 -2.538 -1.929
125 HB2 LEU 15 HB2 LEU 15 29.009 -0.105 -2.373
126 HB3 LEU 15 HB1 LEU 15 30.666 -0.221 -1.782
127 HG LEU 15 HG LEU 15 31.166 -1.893 -3.550
128 HD11 LEU 15 HD11 LEU 15 28.240 -1.536 -4.050
129 HD12 LEU 15 HD12 LEU 15 29.229 -2.990 -4.170
130 HD13 LEU 15 HD13 LEU 15 29.287 -1.777 -5.450
131 HD21 LEU 15 HD21 LEU 15 31.780 -0.130 -4.809
132 HD22 LEU 15 HD22 LEU 15 30.702 0.889 -3.855
133 HD23 LEU 15 HD23 LEU 15 30.111 0.115 -5.327
134 H LEU 16 HN LEU 16 31.154 -1.842 0.468
135 HA LEU 16 HA LEU 16 32.997 -3.811 -0.678
136 HB2 LEU 16 HB2 LEU 16 33.403 -2.209 1.845
137 HB3 LEU 16 HB1 LEU 16 34.626 -2.960 0.819
138 HG LEU 16 HG LEU 16 32.856 -0.607 0.104
139 HD11 LEU 16 HD11 LEU 16 34.829 0.690 0.169
140 HD12 LEU 16 HD12 LEU 16 35.870 -0.731 0.112
141 HD13 LEU 16 HD13 LEU 16 34.974 -0.354 1.582
142 HD21 LEU 16 HD21 LEU 16 33.050 -1.812 -1.914
143 HD22 LEU 16 HD22 LEU 16 34.688 -2.353 -1.539
144 HD23 LEU 16 HD23 LEU 16 34.394 -0.673 -1.991
145 H THR 17 HN THR 17 30.306 -4.021 1.072
146 HA THR 17 HA THR 17 31.321 -6.270 2.698
147 HB THR 17 HB THR 17 29.469 -4.051 3.445
148 HG1 THR 17 HG1 THR 17 30.840 -3.902 5.050
149 HG21 THR 17 HG21 THR 17 28.793 -5.602 5.402
150 HG22 THR 17 HG22 THR 17 29.290 -6.923 4.344
151 HG23 THR 17 HG23 THR 17 27.985 -5.842 3.853
152 H PHE 18 HN PHE 18 28.241 -4.897 1.526
153 HA PHE 18 HA PHE 18 26.621 -7.063 1.513
154 HB2 PHE 18 HB2 PHE 18 26.290 -4.651 0.516
155 HB3 PHE 18 HB1 PHE 18 26.713 -5.440 -1.005
156 HD1 PHE 18 HD1 PHE 18 24.465 -5.805 1.968
157 HD2 PHE 18 HD2 PHE 18 25.076 -6.621 -2.205
158 HE1 PHE 18 HE1 PHE 18 22.168 -6.728 1.812
159 HE2 PHE 18 HE2 PHE 18 22.780 -7.545 -2.361
160 HZ PHE 18 HZ PHE 18 21.325 -7.598 -0.353
161 H LEU 19 HN LEU 19 28.967 -6.303 -1.064
162 HA LEU 19 HA LEU 19 28.458 -8.712 -2.528
163 HB2 LEU 19 HB2 LEU 19 30.576 -6.579 -2.624
164 HB3 LEU 19 HB1 LEU 19 30.745 -8.045 -3.586
165 HG LEU 19 HG LEU 19 29.625 -6.124 -4.793
166 HD11 LEU 19 HD11 LEU 19 28.974 -8.855 -4.802
167 HD12 LEU 19 HD12 LEU 19 28.574 -7.677 -6.048
168 HD13 LEU 19 HD13 LEU 19 27.421 -8.023 -4.762
169 HD21 LEU 19 HD21 LEU 19 28.387 -5.412 -2.671
170 HD22 LEU 19 HD22 LEU 19 27.275 -6.741 -2.995
171 HD23 LEU 19 HD23 LEU 19 27.436 -5.425 -4.156
172 H ALA 20 HN ALA 20 31.145 -7.655 -0.429
173 HA ALA 20 HA ALA 20 32.772 -9.855 -0.520
174 HB1 ALA 20 HB1 ALA 20 32.478 -7.632 1.175
175 HB2 ALA 20 HB2 ALA 20 33.823 -8.770 1.135
176 HB3 ALA 20 HB3 ALA 20 32.472 -9.042 2.233
177 H PHE 21 HN PHE 21 30.046 -9.428 1.752
178 HA PHE 21 HA PHE 21 30.200 -12.188 2.600
179 HB2 PHE 21 HB2 PHE 21 28.268 -9.948 3.218
180 HB3 PHE 21 HB1 PHE 21 28.122 -11.570 3.894
181 HD1 PHE 21 HD1 PHE 21 30.539 -8.737 3.529
182 HD2 PHE 21 HD2 PHE 21 29.339 -12.172 5.811
183 HE1 PHE 21 HE1 PHE 21 32.219 -8.172 5.262
184 HE2 PHE 21 HE2 PHE 21 31.019 -11.607 7.546
185 HZ PHE 21 HZ PHE 21 32.459 -9.606 7.271
186 H GLY 22 HN GLY 22 28.139 -10.225 0.510
187 HA2 GLY 22 HA2 GLY 22 26.038 -12.000 0.067
188 HA3 GLY 22 HA1 GLY 22 26.612 -10.821 -1.107
189 H PHE 23 HN PHE 23 29.136 -11.728 -1.668
190 HA PHE 23 HA PHE 23 28.728 -13.663 -3.608
191 HB2 PHE 23 HB2 PHE 23 31.013 -12.310 -2.432
192 HB3 PHE 23 HB1 PHE 23 31.396 -13.978 -2.858
193 HD1 PHE 23 HD2 PHE 23 30.300 -14.745 -5.204
194 HD2 PHE 23 HD1 PHE 23 31.299 -10.712 -4.110
195 HE1 PHE 23 HE2 PHE 23 30.408 -14.119 -7.601
196 HE2 PHE 23 HE1 PHE 23 31.406 -10.088 -6.506
197 HZ PHE 23 HZ PHE 23 30.960 -11.793 -8.252
198 H TRP 24 HN TRP 24 28.939 -14.027 -0.235
199 HA TRP 24 HA TRP 24 29.484 -16.911 -0.471
200 HB2 TRP 24 HB2 TRP 24 30.999 -15.892 1.072
201 HB3 TRP 24 HB1 TRP 24 29.690 -15.012 1.866
202 HD1 TRP 24 HD1 TRP 24 30.329 -18.728 1.004
203 HE1 TRP 24 HE1 TRP 24 29.699 -20.150 3.064
204 HE3 TRP 24 HE3 TRP 24 28.858 -15.040 4.191
205 HZ2 TRP 24 HZ2 TRP 24 28.703 -19.765 5.713
206 HZ3 TRP 24 HZ3 TRP 24 28.069 -15.586 6.479
207 HH2 TRP 24 HH2 TRP 24 27.990 -17.942 7.242
208 H LEU 25 HN LEU 25 27.690 -14.964 1.883
209 HA LEU 25 HA LEU 25 25.869 -16.483 2.944
210 HB2 LEU 25 HB2 LEU 25 25.598 -13.783 1.769
211 HB3 LEU 25 HB1 LEU 25 24.092 -14.600 2.189
212 HG LEU 25 HG LEU 25 26.402 -14.534 4.125
213 HD11 LEU 25 HD11 LEU 25 24.206 -12.454 3.869
214 HD12 LEU 25 HD12 LEU 25 25.903 -12.193 3.464
215 HD13 LEU 25 HD13 LEU 25 25.434 -12.515 5.133
216 HD21 LEU 25 HD21 LEU 25 24.893 -15.389 5.603
217 HD22 LEU 25 HD22 LEU 25 23.986 -15.839 4.160
218 HD23 LEU 25 HD23 LEU 25 23.591 -14.351 5.022
219 H PHE 26 HN PHE 26 25.231 -15.266 -0.357
220 HA PHE 26 HA PHE 26 23.025 -17.079 -0.717
221 HB2 PHE 26 HB2 PHE 26 24.463 -15.662 -2.946
222 HB3 PHE 26 HB1 PHE 26 22.752 -16.070 -2.819
223 HD1 PHE 26 HD1 PHE 26 21.767 -15.139 -0.382
224 HD2 PHE 26 HD2 PHE 26 24.858 -13.367 -2.784
225 HE1 PHE 26 HE1 PHE 26 21.305 -12.935 0.650
226 HE2 PHE 26 HE2 PHE 26 24.394 -11.162 -1.751
227 HZ PHE 26 HZ PHE 26 22.623 -10.948 -0.032
228 H LYS 27 HN LYS 27 26.087 -16.771 -2.521
229 HA LYS 27 HA LYS 27 25.986 -19.118 -3.934
230 HB2 LYS 27 HB2 LYS 27 28.546 -18.095 -2.710
231 HB3 LYS 27 HB1 LYS 27 28.335 -18.937 -4.244
232 HG2 LYS 27 HG2 LYS 27 27.400 -16.135 -3.558
233 HG3 LYS 27 HG1 LYS 27 28.627 -16.589 -4.739
234 HD2 LYS 27 HD2 LYS 27 26.722 -17.973 -5.845
235 HD3 LYS 27 HD1 LYS 27 25.643 -16.962 -4.883
236 HE2 LYS 27 HE2 LYS 27 27.290 -15.063 -5.915
237 HE3 LYS 27 HE1 LYS 27 27.318 -16.246 -7.223
238 HZ1 LYS 27 HZ1 LYS 27 25.346 -15.494 -7.840
239 HZ2 LYS 27 HZ2 LYS 27 25.258 -14.458 -6.496
240 HZ3 LYS 27 HZ3 LYS 27 24.688 -16.055 -6.380
241 H TYR 28 HN TYR 28 26.100 -18.883 -0.557
242 HA TYR 28 HA TYR 28 27.125 -21.654 -0.323
243 HB2 TYR 28 HB2 TYR 28 28.490 -20.766 1.224
244 HB3 TYR 28 HB1 TYR 28 27.588 -19.256 1.275
245 HD1 TYR 28 HD1 TYR 28 27.227 -22.845 2.298
246 HD2 TYR 28 HD2 TYR 28 26.405 -18.731 3.216
247 HE1 TYR 28 HE1 TYR 28 26.202 -23.528 4.453
248 HE2 TYR 28 HE2 TYR 28 25.381 -19.411 5.366
249 HH TYR 28 HH TYR 28 24.219 -21.682 6.210
250 H LEU 29 HN LEU 29 24.740 -19.407 1.102
251 HA LEU 29 HA LEU 29 23.229 -21.638 2.192
252 HB2 LEU 29 HB2 LEU 29 23.587 -19.127 3.090
253 HB3 LEU 29 HB1 LEU 29 22.083 -18.900 2.197
254 HG LEU 29 HG LEU 29 22.575 -20.989 4.339
255 HD11 LEU 29 HD11 LEU 29 22.324 -18.838 5.369
256 HD12 LEU 29 HD12 LEU 29 20.758 -19.642 5.505
257 HD13 LEU 29 HD13 LEU 29 21.009 -18.399 4.277
258 HD21 LEU 29 HD21 LEU 29 21.015 -21.990 2.909
259 HD22 LEU 29 HD22 LEU 29 20.311 -20.443 2.434
260 HD23 LEU 29 HD23 LEU 29 19.967 -21.117 4.029
261 H GLN 30 HN GLN 30 22.822 -19.164 -0.316
262 HA GLN 30 HA GLN 30 20.209 -20.069 -1.084
263 HB2 GLN 30 HB2 GLN 30 20.910 -17.760 -1.467
264 HB3 GLN 30 HB1 GLN 30 22.198 -18.311 -2.533
265 HG2 GLN 30 HG2 GLN 30 20.786 -18.715 -4.263
266 HG3 GLN 30 HG1 GLN 30 19.513 -19.330 -3.211
267 HE21 GLN 30 HE21 GLN 30 20.946 -16.170 -2.560
268 HE22 GLN 30 HE22 GLN 30 19.597 -15.260 -3.042
269 H LYS 31 HN LYS 31 23.361 -21.201 -1.641
270 HA LYS 31 HA LYS 31 22.445 -22.805 -3.955
271 HB2 LYS 31 HB2 LYS 31 25.046 -21.456 -3.376
272 HB3 LYS 31 HB1 LYS 31 25.077 -22.986 -4.250
273 HG2 LYS 31 HG2 LYS 31 24.952 -21.078 -5.810
274 HG3 LYS 31 HG1 LYS 31 23.504 -22.078 -5.915
275 HD2 LYS 31 HD2 LYS 31 22.159 -20.467 -4.993
276 HD3 LYS 31 HD1 LYS 31 23.435 -19.849 -3.945
277 HE2 LYS 31 HE2 LYS 31 24.516 -18.772 -5.874
278 HE3 LYS 31 HE1 LYS 31 23.268 -19.412 -6.942
279 HZ1 LYS 31 HZ1 LYS 31 21.666 -18.045 -6.037
280 HZ2 LYS 31 HZ2 LYS 31 23.032 -17.033 -6.028
281 HZ3 LYS 31 HZ3 LYS 31 22.525 -17.794 -4.596
282 H LYS 32 HN LYS 32 21.594 -24.125 -2.058
283 HA LYS 32 HA LYS 32 23.516 -26.243 -1.535
284 HB2 LYS 32 HB2 LYS 32 23.084 -26.253 0.898
285 HB3 LYS 32 HB1 LYS 32 23.879 -24.767 0.380
286 HG2 LYS 32 HG2 LYS 32 22.207 -23.699 1.473
287 HG3 LYS 32 HG1 LYS 32 21.205 -24.143 0.090
288 HD2 LYS 32 HD2 LYS 32 20.562 -26.239 1.228
289 HD3 LYS 32 HD1 LYS 32 21.553 -25.787 2.615
290 HE2 LYS 32 HE2 LYS 32 19.957 -24.411 3.419
291 HE3 LYS 32 HE1 LYS 32 19.730 -23.645 1.847
292 HZ1 LYS 32 HZ1 LYS 32 17.748 -24.844 2.680
293 HZ2 LYS 32 HZ2 LYS 32 18.621 -26.299 2.578
294 HZ3 LYS 32 HZ3 LYS 32 18.291 -25.401 1.173
Start of MODEL 38
1 H1 LYS 1 HT1 LYS 1 25.163 17.329 -0.582
2 H2 LYS 1 HT2 LYS 1 26.448 17.347 0.528
3 H3 LYS 1 HT3 LYS 1 25.216 18.512 0.632
4 HA LYS 1 HA LYS 1 25.330 16.190 2.040
5 HB2 LYS 1 HB2 LYS 1 22.896 16.765 2.528
6 HB3 LYS 1 HB1 LYS 1 24.049 18.077 2.770
7 HG2 LYS 1 HG2 LYS 1 23.443 19.126 0.720
8 HG3 LYS 1 HG1 LYS 1 22.575 17.697 0.159
9 HD2 LYS 1 HD2 LYS 1 21.609 18.735 2.737
10 HD3 LYS 1 HD1 LYS 1 21.398 19.856 1.391
11 HE2 LYS 1 HE2 LYS 1 20.247 18.123 0.093
12 HE3 LYS 1 HE1 LYS 1 20.504 16.958 1.393
13 HZ1 LYS 1 HZ1 LYS 1 18.587 17.661 2.224
14 HZ2 LYS 1 HZ2 LYS 1 18.500 18.967 1.139
15 HZ3 LYS 1 HZ3 LYS 1 19.349 19.128 2.603
16 H LYS 2 HN LYS 2 25.765 15.078 -0.366
17 HA LYS 2 HA LYS 2 23.574 14.150 -1.839
18 HB2 LYS 2 HB2 LYS 2 25.926 13.902 -2.561
19 HB3 LYS 2 HB1 LYS 2 26.180 12.708 -1.287
20 HG2 LYS 2 HG2 LYS 2 23.823 12.034 -2.823
21 HG3 LYS 2 HG1 LYS 2 25.210 12.232 -3.894
22 HD2 LYS 2 HD2 LYS 2 26.522 10.695 -2.441
23 HD3 LYS 2 HD1 LYS 2 25.090 10.453 -1.438
24 HE2 LYS 2 HE2 LYS 2 25.424 8.657 -3.166
25 HE3 LYS 2 HE1 LYS 2 23.877 9.490 -3.303
26 HZ1 LYS 2 HZ1 LYS 2 25.990 10.748 -4.785
27 HZ2 LYS 2 HZ2 LYS 2 24.422 10.325 -5.279
28 HZ3 LYS 2 HZ3 LYS 2 25.666 9.168 -5.306
29 H HIS 3 HN HIS 3 21.926 12.903 -1.271
30 HA HIS 3 HA HIS 3 20.585 11.589 0.078
31 HB2 HIS 3 HB2 HIS 3 21.015 9.465 -0.534
32 HB3 HIS 3 HB1 HIS 3 22.416 10.130 -1.372
33 HD2 HIS 3 HD2 HIS 3 22.000 7.245 0.767
34 HE1 HIS 3 HE1 HIS 3 25.480 9.004 2.380
35 HE2 HIS 3 HE2 HIS 3 24.063 6.896 2.326
36 H THR 4 HN THR 4 21.110 9.666 2.001
37 HA THR 4 HA THR 4 21.594 11.304 4.294
38 HB THR 4 HB THR 4 20.016 9.578 4.613
39 HG1 THR 4 HG1 THR 4 20.880 9.223 6.468
40 HG21 THR 4 HG21 THR 4 20.609 7.163 4.244
41 HG22 THR 4 HG22 THR 4 22.110 7.695 3.495
42 HG23 THR 4 HG23 THR 4 20.565 8.118 2.763
43 H ILE 5 HN ILE 5 22.991 8.346 4.966
44 HA ILE 5 HA ILE 5 25.729 9.434 4.651
45 HB ILE 5 HB ILE 5 26.181 8.027 6.756
46 HG12 ILE 5 HG12 ILE 5 23.399 8.496 7.597
47 HG13 ILE 5 HG11 ILE 5 23.574 7.244 6.367
48 HG21 ILE 5 HG21 ILE 5 24.482 10.532 6.795
49 HG22 ILE 5 HG22 ILE 5 26.244 10.440 6.829
50 HG23 ILE 5 HG23 ILE 5 25.305 9.888 8.217
51 HD11 ILE 5 HD11 ILE 5 23.770 6.481 8.810
52 HD12 ILE 5 HD12 ILE 5 25.324 7.317 8.823
53 HD13 ILE 5 HD13 ILE 5 25.055 5.971 7.716
54 H TRP 6 HN TRP 6 23.584 6.728 4.308
55 HA TRP 6 HA TRP 6 25.158 4.519 4.188
56 HB2 TRP 6 HB2 TRP 6 22.717 5.383 2.912
57 HB3 TRP 6 HB1 TRP 6 23.670 4.390 1.811
58 HD1 TRP 6 HD1 TRP 6 22.499 2.123 1.967
59 HE1 TRP 6 HE1 TRP 6 21.992 0.459 3.862
60 HE3 TRP 6 HE3 TRP 6 23.822 4.958 5.997
61 HZ2 TRP 6 HZ2 TRP 6 22.132 0.344 6.711
62 HZ3 TRP 6 HZ3 TRP 6 23.626 4.048 8.291
63 HH2 TRP 6 HH2 TRP 6 22.782 1.745 8.656
64 H GLU 7 HN GLU 7 24.577 6.348 1.175
65 HA GLU 7 HA GLU 7 26.604 5.225 -0.307
66 HB2 GLU 7 HB2 GLU 7 25.458 8.007 -0.403
67 HB3 GLU 7 HB1 GLU 7 26.620 7.411 -1.583
68 HG2 GLU 7 HG2 GLU 7 24.415 5.543 -1.092
69 HG3 GLU 7 HG1 GLU 7 23.878 7.093 -1.738
70 H VAL 8 HN VAL 8 27.024 7.117 2.482
71 HA VAL 8 HA VAL 8 29.723 7.946 1.660
72 HB VAL 8 HB VAL 8 28.290 8.665 4.224
73 HG11 VAL 8 HG11 VAL 8 30.025 10.446 4.276
74 HG12 VAL 8 HG12 VAL 8 30.770 9.725 2.850
75 HG13 VAL 8 HG13 VAL 8 30.717 8.827 4.367
76 HG21 VAL 8 HG21 VAL 8 28.711 10.776 2.248
77 HG22 VAL 8 HG22 VAL 8 27.245 10.355 3.130
78 HG23 VAL 8 HG23 VAL 8 27.648 9.510 1.637
79 H ILE 9 HN ILE 9 28.025 5.854 3.929
80 HA ILE 9 HA ILE 9 30.630 4.750 4.775
81 HB ILE 9 HB ILE 9 29.777 5.547 6.754
82 HG12 ILE 9 HG12 ILE 9 29.793 2.842 6.592
83 HG13 ILE 9 HG11 ILE 9 29.418 3.721 8.059
84 HG21 ILE 9 HG21 ILE 9 27.302 5.433 7.308
85 HG22 ILE 9 HG22 ILE 9 27.050 4.970 5.623
86 HG23 ILE 9 HG23 ILE 9 27.780 6.525 6.015
87 HD11 ILE 9 HD11 ILE 9 27.774 1.870 7.387
88 HD12 ILE 9 HD12 ILE 9 27.245 2.953 6.107
89 HD13 ILE 9 HD13 ILE 9 27.081 3.438 7.788
90 H ALA 10 HN ALA 10 27.264 3.966 3.992
91 HA ALA 10 HA ALA 10 27.668 1.139 3.949
92 HB1 ALA 10 HB1 ALA 10 25.493 1.051 2.848
93 HB2 ALA 10 HB2 ALA 10 25.561 2.783 2.526
94 HB3 ALA 10 HB3 ALA 10 25.435 2.199 4.186
95 H GLY 11 HN GLY 11 26.978 3.326 1.202
96 HA2 GLY 11 HA2 GLY 11 27.719 1.597 -0.835
97 HA3 GLY 11 HA1 GLY 11 27.834 3.353 -0.943
98 H LEU 12 HN LEU 12 29.606 2.973 1.596
99 HA LEU 12 HA LEU 12 32.097 2.646 0.080
100 HB2 LEU 12 HB2 LEU 12 31.613 4.781 1.395
101 HB3 LEU 12 HB1 LEU 12 31.820 3.806 2.851
102 HG LEU 12 HG LEU 12 34.031 3.081 1.414
103 HD11 LEU 12 HD11 LEU 12 33.342 4.883 -0.269
104 HD12 LEU 12 HD12 LEU 12 34.990 4.991 0.351
105 HD13 LEU 12 HD13 LEU 12 33.737 6.060 0.983
106 HD21 LEU 12 HD21 LEU 12 35.254 4.621 2.931
107 HD22 LEU 12 HD22 LEU 12 33.980 3.746 3.781
108 HD23 LEU 12 HD23 LEU 12 33.735 5.429 3.315
109 H VAL 13 HN VAL 13 30.196 1.321 2.679
110 HA VAL 13 HA VAL 13 32.379 -0.580 3.313
111 HB VAL 13 HB VAL 13 30.001 0.273 4.975
112 HG11 VAL 13 HG11 VAL 13 31.949 -1.991 5.205
113 HG12 VAL 13 HG12 VAL 13 30.232 -1.947 5.605
114 HG13 VAL 13 HG13 VAL 13 31.407 -1.187 6.678
115 HG21 VAL 13 HG21 VAL 13 32.127 1.746 4.736
116 HG22 VAL 13 HG22 VAL 13 32.936 0.475 5.654
117 HG23 VAL 13 HG23 VAL 13 31.584 1.353 6.367
118 H ALA 14 HN ALA 14 28.820 -0.428 3.035
119 HA ALA 14 HA ALA 14 28.185 -3.083 3.075
120 HB1 ALA 14 HB1 ALA 14 27.099 -0.855 1.358
121 HB2 ALA 14 HB2 ALA 14 26.393 -1.563 2.810
122 HB3 ALA 14 HB3 ALA 14 26.421 -2.481 1.304
123 H LEU 15 HN LEU 15 29.327 -1.259 0.235
124 HA LEU 15 HA LEU 15 29.350 -3.449 -1.551
125 HB2 LEU 15 HB2 LEU 15 31.149 -1.012 -1.576
126 HB3 LEU 15 HB1 LEU 15 30.776 -2.056 -2.950
127 HG LEU 15 HG LEU 15 28.756 -0.422 -1.391
128 HD11 LEU 15 HD11 LEU 15 30.540 0.599 -3.144
129 HD12 LEU 15 HD12 LEU 15 28.889 1.206 -3.008
130 HD13 LEU 15 HD13 LEU 15 29.303 0.054 -4.277
131 HD21 LEU 15 HD21 LEU 15 27.492 -2.184 -2.220
132 HD22 LEU 15 HD22 LEU 15 28.563 -2.439 -3.601
133 HD23 LEU 15 HD23 LEU 15 27.437 -1.081 -3.597
134 H LEU 16 HN LEU 16 31.569 -2.304 0.865
135 HA LEU 16 HA LEU 16 33.600 -4.267 0.085
136 HB2 LEU 16 HB2 LEU 16 33.767 -2.298 2.358
137 HB3 LEU 16 HB1 LEU 16 35.089 -3.098 1.508
138 HG LEU 16 HG LEU 16 33.207 -1.013 0.372
139 HD11 LEU 16 HD11 LEU 16 35.063 0.437 0.354
140 HD12 LEU 16 HD12 LEU 16 36.215 -0.888 0.523
141 HD13 LEU 16 HD13 LEU 16 35.225 -0.399 1.899
142 HD21 LEU 16 HD21 LEU 16 34.863 -1.261 -1.614
143 HD22 LEU 16 HD22 LEU 16 33.598 -2.477 -1.431
144 HD23 LEU 16 HD23 LEU 16 35.245 -2.830 -0.904
145 H THR 17 HN THR 17 30.839 -4.447 1.674
146 HA THR 17 HA THR 17 31.832 -6.519 3.499
147 HB THR 17 HB THR 17 30.066 -4.200 4.289
148 HG1 THR 17 HG1 THR 17 32.304 -5.263 5.625
149 HG21 THR 17 HG21 THR 17 30.037 -5.512 6.523
150 HG22 THR 17 HG22 THR 17 30.450 -6.916 5.537
151 HG23 THR 17 HG23 THR 17 28.946 -6.040 5.242
152 H PHE 18 HN PHE 18 28.676 -4.958 2.997
153 HA PHE 18 HA PHE 18 27.079 -7.178 3.109
154 HB2 PHE 18 HB2 PHE 18 26.490 -4.658 2.740
155 HB3 PHE 18 HB1 PHE 18 26.512 -5.089 1.031
156 HD1 PHE 18 HD2 PHE 18 25.197 -6.410 4.290
157 HD2 PHE 18 HD1 PHE 18 24.522 -5.870 0.081
158 HE1 PHE 18 HE2 PHE 18 22.940 -7.411 4.523
159 HE2 PHE 18 HE1 PHE 18 22.266 -6.870 0.315
160 HZ PHE 18 HZ PHE 18 21.474 -7.641 2.535
161 H LEU 19 HN LEU 19 28.650 -5.866 0.193
162 HA LEU 19 HA LEU 19 27.729 -7.989 -1.505
163 HB2 LEU 19 HB2 LEU 19 29.709 -5.747 -1.779
164 HB3 LEU 19 HB1 LEU 19 29.639 -7.012 -3.001
165 HG LEU 19 HG LEU 19 28.195 -4.989 -3.491
166 HD11 LEU 19 HD11 LEU 19 26.909 -6.382 -4.710
167 HD12 LEU 19 HD12 LEU 19 26.116 -7.002 -3.264
168 HD13 LEU 19 HD13 LEU 19 27.621 -7.728 -3.822
169 HD21 LEU 19 HD21 LEU 19 27.555 -4.791 -1.008
170 HD22 LEU 19 HD22 LEU 19 26.394 -6.078 -1.325
171 HD23 LEU 19 HD23 LEU 19 26.267 -4.545 -2.185
172 H ALA 20 HN ALA 20 30.900 -7.176 -0.088
173 HA ALA 20 HA ALA 20 32.459 -9.203 -1.039
174 HB1 ALA 20 HB1 ALA 20 33.307 -9.166 1.537
175 HB2 ALA 20 HB2 ALA 20 32.392 -7.658 1.481
176 HB3 ALA 20 HB3 ALA 20 33.722 -7.925 0.354
177 H PHE 21 HN PHE 21 30.460 -9.424 1.918
178 HA PHE 21 HA PHE 21 30.871 -12.287 2.074
179 HB2 PHE 21 HB2 PHE 21 29.203 -10.353 3.691
180 HB3 PHE 21 HB1 PHE 21 29.264 -12.087 4.011
181 HD1 PHE 21 HD2 PHE 21 31.547 -9.162 3.460
182 HD2 PHE 21 HD1 PHE 21 30.910 -12.915 5.452
183 HE1 PHE 21 HE2 PHE 21 33.662 -8.853 4.718
184 HE2 PHE 21 HE1 PHE 21 33.025 -12.604 6.709
185 HZ PHE 21 HZ PHE 21 34.400 -10.574 6.342
186 H GLY 22 HN GLY 22 28.292 -10.067 1.128
187 HA2 GLY 22 HA2 GLY 22 26.148 -11.834 0.935
188 HA3 GLY 22 HA1 GLY 22 26.365 -10.415 -0.083
189 H PHE 23 HN PHE 23 28.630 -11.057 -1.493
190 HA PHE 23 HA PHE 23 27.678 -12.585 -3.605
191 HB2 PHE 23 HB2 PHE 23 30.204 -11.361 -2.857
192 HB3 PHE 23 HB1 PHE 23 30.450 -12.886 -3.706
193 HD1 PHE 23 HD2 PHE 23 28.729 -13.236 -5.760
194 HD2 PHE 23 HD1 PHE 23 30.008 -9.449 -4.182
195 HE1 PHE 23 HE2 PHE 23 28.152 -12.144 -7.911
196 HE2 PHE 23 HE1 PHE 23 29.431 -8.358 -6.331
197 HZ PHE 23 HZ PHE 23 28.501 -9.707 -8.197
198 H TRP 24 HN TRP 24 28.847 -13.599 -0.575
199 HA TRP 24 HA TRP 24 29.294 -16.342 -1.548
200 HB2 TRP 24 HB2 TRP 24 31.185 -15.567 -0.307
201 HB3 TRP 24 HB1 TRP 24 30.157 -14.942 0.984
202 HD1 TRP 24 HD1 TRP 24 30.526 -18.364 -0.781
203 HE1 TRP 24 HE1 TRP 24 30.498 -20.208 1.026
204 HE3 TRP 24 HE3 TRP 24 30.004 -15.487 3.387
205 HZ2 TRP 24 HZ2 TRP 24 30.281 -20.423 3.865
206 HZ3 TRP 24 HZ3 TRP 24 29.888 -16.531 5.637
207 HH2 TRP 24 HH2 TRP 24 30.025 -18.993 5.879
208 H LEU 25 HN LEU 25 28.248 -15.011 1.563
209 HA LEU 25 HA LEU 25 26.795 -16.810 2.750
210 HB2 LEU 25 HB2 LEU 25 26.206 -13.949 2.280
211 HB3 LEU 25 HB1 LEU 25 24.885 -14.920 2.929
212 HG LEU 25 HG LEU 25 27.651 -15.108 4.109
213 HD11 LEU 25 HD11 LEU 25 27.017 -13.380 5.738
214 HD12 LEU 25 HD12 LEU 25 25.485 -13.133 4.897
215 HD13 LEU 25 HD13 LEU 25 27.005 -12.713 4.106
216 HD21 LEU 25 HD21 LEU 25 26.620 -16.306 5.754
217 HD22 LEU 25 HD22 LEU 25 25.344 -16.524 4.557
218 HD23 LEU 25 HD23 LEU 25 25.208 -15.251 5.769
219 H PHE 26 HN PHE 26 25.241 -14.990 0.093
220 HA PHE 26 HA PHE 26 23.021 -16.816 -0.008
221 HB2 PHE 26 HB2 PHE 26 23.769 -14.905 -2.207
222 HB3 PHE 26 HB1 PHE 26 22.164 -15.425 -1.695
223 HD1 PHE 26 HD2 PHE 26 21.924 -15.053 1.063
224 HD2 PHE 26 HD1 PHE 26 24.194 -12.669 -1.697
225 HE1 PHE 26 HE2 PHE 26 21.782 -13.125 2.611
226 HE2 PHE 26 HE1 PHE 26 24.050 -10.740 -0.148
227 HZ PHE 26 HZ PHE 26 22.850 -10.970 2.008
228 H LYS 27 HN LYS 27 25.440 -15.983 -2.494
229 HA LYS 27 HA LYS 27 24.931 -18.003 -4.278
230 HB2 LYS 27 HB2 LYS 27 27.740 -17.106 -3.634
231 HB3 LYS 27 HB1 LYS 27 27.095 -17.632 -5.188
232 HG2 LYS 27 HG2 LYS 27 26.412 -15.082 -3.697
233 HG3 LYS 27 HG1 LYS 27 27.244 -15.223 -5.245
234 HD2 LYS 27 HD2 LYS 27 25.096 -16.452 -6.036
235 HD3 LYS 27 HD1 LYS 27 24.344 -15.730 -4.613
236 HE2 LYS 27 HE2 LYS 27 25.634 -13.564 -5.639
237 HE3 LYS 27 HE1 LYS 27 25.256 -14.445 -7.120
238 HZ1 LYS 27 HZ1 LYS 27 23.393 -13.132 -6.725
239 HZ2 LYS 27 HZ2 LYS 27 23.399 -13.439 -5.054
240 HZ3 LYS 27 HZ3 LYS 27 22.936 -14.659 -6.141
241 H TYR 28 HN TYR 28 26.001 -18.445 -1.096
242 HA TYR 28 HA TYR 28 27.038 -21.148 -1.742
243 HB2 TYR 28 HB2 TYR 28 28.794 -20.518 -0.493
244 HB3 TYR 28 HB1 TYR 28 27.955 -19.096 0.119
245 HD1 TYR 28 HD1 TYR 28 27.884 -22.831 0.443
246 HD2 TYR 28 HD2 TYR 28 27.377 -19.033 2.378
247 HE1 TYR 28 HE1 TYR 28 27.519 -23.984 2.611
248 HE2 TYR 28 HE2 TYR 28 27.011 -20.182 4.544
249 HH TYR 28 HH TYR 28 26.091 -22.858 5.070
250 H LEU 29 HN LEU 29 25.175 -19.366 0.732
251 HA LEU 29 HA LEU 29 24.027 -21.848 1.716
252 HB2 LEU 29 HB2 LEU 29 24.637 -19.548 2.974
253 HB3 LEU 29 HB1 LEU 29 22.940 -19.236 2.608
254 HG LEU 29 HG LEU 29 24.024 -21.676 4.047
255 HD11 LEU 29 HD11 LEU 29 22.632 -20.693 5.932
256 HD12 LEU 29 HD12 LEU 29 22.505 -19.224 4.965
257 HD13 LEU 29 HD13 LEU 29 24.084 -19.781 5.518
258 HD21 LEU 29 HD21 LEU 29 21.438 -21.887 4.464
259 HD22 LEU 29 HD22 LEU 29 22.116 -22.463 2.942
260 HD23 LEU 29 HD23 LEU 29 21.310 -20.896 3.012
261 H GLN 30 HN GLN 30 22.933 -18.950 -0.011
262 HA GLN 30 HA GLN 30 20.205 -19.826 -0.185
263 HB2 GLN 30 HB2 GLN 30 20.776 -17.452 -0.259
264 HB3 GLN 30 HB1 GLN 30 21.706 -17.705 -1.733
265 HG2 GLN 30 HG2 GLN 30 19.857 -17.831 -3.045
266 HG3 GLN 30 HG1 GLN 30 18.934 -18.715 -1.829
267 HE21 GLN 30 HE21 GLN 30 20.506 -15.674 -0.966
268 HE22 GLN 30 HE22 GLN 30 19.078 -14.764 -0.848
269 H LYS 31 HN LYS 31 23.062 -20.647 -1.825
270 HA LYS 31 HA LYS 31 21.516 -21.804 -4.070
271 HB2 LYS 31 HB2 LYS 31 24.181 -20.454 -3.977
272 HB3 LYS 31 HB1 LYS 31 23.952 -21.776 -5.123
273 HG2 LYS 31 HG2 LYS 31 23.395 -19.605 -6.154
274 HG3 LYS 31 HG1 LYS 31 21.973 -20.641 -6.053
275 HD2 LYS 31 HD2 LYS 31 20.955 -19.321 -4.479
276 HD3 LYS 31 HD1 LYS 31 22.480 -18.860 -3.725
277 HE2 LYS 31 HE2 LYS 31 22.974 -17.360 -5.610
278 HE3 LYS 31 HE1 LYS 31 21.471 -17.838 -6.397
279 HZ1 LYS 31 HZ1 LYS 31 20.218 -16.915 -4.606
280 HZ2 LYS 31 HZ2 LYS 31 21.316 -15.733 -5.137
281 HZ3 LYS 31 HZ3 LYS 31 21.619 -16.594 -3.706
282 H LYS 32 HN LYS 32 21.237 -23.523 -2.327
283 HA LYS 32 HA LYS 32 23.223 -25.592 -2.814
284 HB2 LYS 32 HB2 LYS 32 23.499 -26.113 -0.415
285 HB3 LYS 32 HB1 LYS 32 24.118 -24.510 -0.810
286 HG2 LYS 32 HG2 LYS 32 22.827 -23.778 0.899
287 HG3 LYS 32 HG1 LYS 32 21.472 -23.993 -0.211
288 HD2 LYS 32 HD2 LYS 32 21.183 -26.312 0.599
289 HD3 LYS 32 HD1 LYS 32 22.521 -26.078 1.725
290 HE2 LYS 32 HE2 LYS 32 21.191 -25.015 3.203
291 HE3 LYS 32 HE1 LYS 32 20.572 -23.935 1.955
292 HZ1 LYS 32 HZ1 LYS 32 19.658 -26.735 2.124
293 HZ2 LYS 32 HZ2 LYS 32 18.889 -25.405 1.399
294 HZ3 LYS 32 HZ3 LYS 32 18.952 -25.535 3.092
Start of MODEL 39
1 H1 LYS 1 HT1 LYS 1 24.293 17.860 -0.203
2 H2 LYS 1 HT2 LYS 1 24.627 16.453 -1.095
3 H3 LYS 1 HT3 LYS 1 24.079 16.335 0.508
4 HA LYS 1 HA LYS 1 21.932 16.692 -0.021
5 HB2 LYS 1 HB2 LYS 1 21.403 18.055 -2.174
6 HB3 LYS 1 HB1 LYS 1 22.046 18.920 -0.776
7 HG2 LYS 1 HG2 LYS 1 24.263 18.940 -1.707
8 HG3 LYS 1 HG1 LYS 1 23.792 17.837 -3.000
9 HD2 LYS 1 HD2 LYS 1 22.188 19.560 -3.833
10 HD3 LYS 1 HD1 LYS 1 22.791 20.670 -2.604
11 HE2 LYS 1 HE2 LYS 1 25.141 20.056 -3.641
12 HE3 LYS 1 HE1 LYS 1 24.173 19.622 -5.049
13 HZ1 LYS 1 HZ1 LYS 1 24.453 21.809 -5.480
14 HZ2 LYS 1 HZ2 LYS 1 24.640 22.236 -3.845
15 HZ3 LYS 1 HZ3 LYS 1 23.090 21.951 -4.479
16 H LYS 2 HN LYS 2 23.834 14.633 -0.919
17 HA LYS 2 HA LYS 2 22.696 13.794 -3.495
18 HB2 LYS 2 HB2 LYS 2 24.463 11.927 -3.189
19 HB3 LYS 2 HB1 LYS 2 25.032 13.557 -3.551
20 HG2 LYS 2 HG2 LYS 2 25.992 13.811 -1.505
21 HG3 LYS 2 HG1 LYS 2 24.664 12.999 -0.676
22 HD2 LYS 2 HD2 LYS 2 25.520 10.814 -1.409
23 HD3 LYS 2 HD1 LYS 2 26.836 11.611 -2.275
24 HE2 LYS 2 HE2 LYS 2 27.828 11.004 -0.226
25 HE3 LYS 2 HE1 LYS 2 27.394 12.696 0.019
26 HZ1 LYS 2 HZ1 LYS 2 25.148 11.427 0.760
27 HZ2 LYS 2 HZ2 LYS 2 26.369 11.923 1.832
28 HZ3 LYS 2 HZ3 LYS 2 26.329 10.321 1.267
29 H HIS 3 HN HIS 3 22.950 12.826 -0.114
30 HA HIS 3 HA HIS 3 20.535 11.313 -0.230
31 HB2 HIS 3 HB2 HIS 3 22.140 9.742 -1.363
32 HB3 HIS 3 HB1 HIS 3 23.060 9.689 0.141
33 HD2 HIS 3 HD2 HIS 3 22.181 6.886 0.298
34 HE1 HIS 3 HE1 HIS 3 18.253 7.915 1.447
35 HE2 HIS 3 HE2 HIS 3 19.918 6.008 1.259
36 H THR 4 HN THR 4 22.277 9.543 1.826
37 HA THR 4 HA THR 4 21.938 11.440 4.078
38 HB THR 4 HB THR 4 20.226 9.758 4.259
39 HG1 THR 4 HG1 THR 4 20.791 9.792 6.266
40 HG21 THR 4 HG21 THR 4 20.517 7.735 3.332
41 HG22 THR 4 HG22 THR 4 21.718 7.350 4.560
42 HG23 THR 4 HG23 THR 4 22.218 8.097 3.041
43 H ILE 5 HN ILE 5 23.038 8.495 5.126
44 HA ILE 5 HA ILE 5 25.842 9.428 5.117
45 HB ILE 5 HB ILE 5 25.982 7.835 7.142
46 HG12 ILE 5 HG12 ILE 5 23.136 8.391 7.672
47 HG13 ILE 5 HG11 ILE 5 23.410 7.215 6.386
48 HG21 ILE 5 HG21 ILE 5 26.200 10.093 7.667
49 HG22 ILE 5 HG22 ILE 5 24.734 9.679 8.555
50 HG23 ILE 5 HG23 ILE 5 24.619 10.506 7.001
51 HD11 ILE 5 HD11 ILE 5 23.269 6.295 8.783
52 HD12 ILE 5 HD12 ILE 5 24.850 7.034 9.032
53 HD13 ILE 5 HD13 ILE 5 24.645 5.780 7.811
54 H TRP 6 HN TRP 6 23.669 6.897 4.238
55 HA TRP 6 HA TRP 6 25.181 4.621 4.151
56 HB2 TRP 6 HB2 TRP 6 22.896 5.646 2.730
57 HB3 TRP 6 HB1 TRP 6 23.935 4.751 1.623
58 HD1 TRP 6 HD1 TRP 6 22.815 2.460 1.449
59 HE1 TRP 6 HE1 TRP 6 22.091 0.644 3.122
60 HE3 TRP 6 HE3 TRP 6 23.593 4.952 5.828
61 HZ2 TRP 6 HZ2 TRP 6 21.873 0.296 5.948
62 HZ3 TRP 6 HZ3 TRP 6 23.119 3.858 8.001
63 HH2 TRP 6 HH2 TRP 6 22.259 1.533 8.067
64 H GLU 7 HN GLU 7 25.086 7.063 1.548
65 HA GLU 7 HA GLU 7 27.115 5.941 -0.026
66 HB2 GLU 7 HB2 GLU 7 25.589 8.385 0.062
67 HB3 GLU 7 HB1 GLU 7 27.269 8.721 -0.359
68 HG2 GLU 7 HG2 GLU 7 25.585 6.586 -1.691
69 HG3 GLU 7 HG1 GLU 7 25.812 8.207 -2.344
70 H VAL 8 HN VAL 8 27.374 7.184 3.056
71 HA VAL 8 HA VAL 8 30.175 8.024 2.675
72 HB VAL 8 HB VAL 8 28.554 8.417 5.185
73 HG11 VAL 8 HG11 VAL 8 30.812 10.069 4.045
74 HG12 VAL 8 HG12 VAL 8 31.109 8.667 5.072
75 HG13 VAL 8 HG13 VAL 8 30.208 10.045 5.701
76 HG21 VAL 8 HG21 VAL 8 27.320 9.439 3.303
77 HG22 VAL 8 HG22 VAL 8 28.790 10.261 2.784
78 HG23 VAL 8 HG23 VAL 8 28.042 10.683 4.323
79 H ILE 9 HN ILE 9 28.086 5.827 4.491
80 HA ILE 9 HA ILE 9 30.489 4.447 5.497
81 HB ILE 9 HB ILE 9 29.395 5.053 7.424
82 HG12 ILE 9 HG12 ILE 9 29.284 2.386 6.915
83 HG13 ILE 9 HG11 ILE 9 28.766 3.111 8.422
84 HG21 ILE 9 HG21 ILE 9 27.578 6.248 6.529
85 HG22 ILE 9 HG22 ILE 9 26.866 5.059 7.609
86 HG23 ILE 9 HG23 ILE 9 26.834 4.798 5.861
87 HD11 ILE 9 HD11 ILE 9 27.121 1.481 7.322
88 HD12 ILE 9 HD12 ILE 9 26.841 2.735 6.123
89 HD13 ILE 9 HD13 ILE 9 26.473 3.043 7.816
90 H ALA 10 HN ALA 10 27.222 3.966 4.192
91 HA ALA 10 HA ALA 10 27.548 1.149 3.803
92 HB1 ALA 10 HB1 ALA 10 25.486 1.274 2.543
93 HB2 ALA 10 HB2 ALA 10 25.637 3.025 2.394
94 HB3 ALA 10 HB3 ALA 10 25.337 2.295 3.973
95 H GLY 11 HN GLY 11 27.162 3.699 1.327
96 HA2 GLY 11 HA2 GLY 11 28.068 2.249 -0.850
97 HA3 GLY 11 HA1 GLY 11 28.234 3.998 -0.698
98 H LEU 12 HN LEU 12 29.753 3.254 1.906
99 HA LEU 12 HA LEU 12 32.367 3.022 0.596
100 HB2 LEU 12 HB2 LEU 12 31.804 4.977 2.149
101 HB3 LEU 12 HB1 LEU 12 31.865 3.804 3.464
102 HG LEU 12 HG LEU 12 34.175 3.166 2.275
103 HD11 LEU 12 HD11 LEU 12 34.156 6.143 1.859
104 HD12 LEU 12 HD12 LEU 12 33.571 5.082 0.577
105 HD13 LEU 12 HD13 LEU 12 35.230 4.931 1.161
106 HD21 LEU 12 HD21 LEU 12 33.995 3.820 4.605
107 HD22 LEU 12 HD22 LEU 12 33.681 5.496 4.154
108 HD23 LEU 12 HD23 LEU 12 35.270 4.787 3.864
109 H VAL 13 HN VAL 13 30.199 1.456 2.829
110 HA VAL 13 HA VAL 13 32.218 -0.664 3.272
111 HB VAL 13 HB VAL 13 29.905 0.080 5.075
112 HG11 VAL 13 HG11 VAL 13 30.405 -2.274 5.248
113 HG12 VAL 13 HG12 VAL 13 31.132 -1.478 6.643
114 HG13 VAL 13 HG13 VAL 13 32.138 -1.955 5.277
115 HG21 VAL 13 HG21 VAL 13 31.301 1.523 6.116
116 HG22 VAL 13 HG22 VAL 13 32.406 1.333 4.755
117 HG23 VAL 13 HG23 VAL 13 32.581 0.312 6.183
118 H ALA 14 HN ALA 14 28.673 -0.184 3.213
119 HA ALA 14 HA ALA 14 27.837 -2.766 2.884
120 HB1 ALA 14 HB1 ALA 14 26.268 -0.894 3.001
121 HB2 ALA 14 HB2 ALA 14 25.939 -1.864 1.565
122 HB3 ALA 14 HB3 ALA 14 26.795 -0.329 1.416
123 H LEU 15 HN LEU 15 29.150 -0.620 0.380
124 HA LEU 15 HA LEU 15 28.815 -2.494 -1.744
125 HB2 LEU 15 HB2 LEU 15 29.105 -0.044 -2.104
126 HB3 LEU 15 HB1 LEU 15 30.768 -0.184 -1.541
127 HG LEU 15 HG LEU 15 31.237 -1.798 -3.372
128 HD11 LEU 15 HD11 LEU 15 29.288 -2.860 -4.010
129 HD12 LEU 15 HD12 LEU 15 29.334 -1.599 -5.242
130 HD13 LEU 15 HD13 LEU 15 28.307 -1.407 -3.821
131 HD21 LEU 15 HD21 LEU 15 31.022 -0.132 -5.251
132 HD22 LEU 15 HD22 LEU 15 31.739 0.534 -3.784
133 HD23 LEU 15 HD23 LEU 15 30.053 0.874 -4.175
134 H LEU 16 HN LEU 16 31.299 -1.846 0.631
135 HA LEU 16 HA LEU 16 33.138 -3.764 -0.590
136 HB2 LEU 16 HB2 LEU 16 33.517 -2.302 2.022
137 HB3 LEU 16 HB1 LEU 16 34.752 -2.995 0.970
138 HG LEU 16 HG LEU 16 32.984 -0.612 0.355
139 HD11 LEU 16 HD11 LEU 16 35.055 -0.405 1.887
140 HD12 LEU 16 HD12 LEU 16 34.959 0.686 0.504
141 HD13 LEU 16 HD13 LEU 16 35.999 -0.737 0.434
142 HD21 LEU 16 HD21 LEU 16 34.851 -2.263 -1.343
143 HD22 LEU 16 HD22 LEU 16 34.568 -0.562 -1.709
144 HD23 LEU 16 HD23 LEU 16 33.222 -1.701 -1.722
145 H THR 17 HN THR 17 30.450 -3.994 1.215
146 HA THR 17 HA THR 17 31.436 -6.348 2.706
147 HB THR 17 HB THR 17 29.578 -4.159 3.520
148 HG1 THR 17 HG1 THR 17 30.897 -5.414 5.460
149 HG21 THR 17 HG21 THR 17 28.071 -5.957 3.807
150 HG22 THR 17 HG22 THR 17 28.842 -5.790 5.382
151 HG23 THR 17 HG23 THR 17 29.356 -7.068 4.283
152 H PHE 18 HN PHE 18 28.350 -4.939 1.594
153 HA PHE 18 HA PHE 18 26.822 -7.196 1.423
154 HB2 PHE 18 HB2 PHE 18 26.280 -4.722 0.803
155 HB3 PHE 18 HB1 PHE 18 26.736 -5.212 -0.830
156 HD1 PHE 18 HD2 PHE 18 24.392 -5.831 1.969
157 HD2 PHE 18 HD1 PHE 18 25.366 -6.721 -2.119
158 HE1 PHE 18 HE2 PHE 18 22.176 -6.903 1.674
159 HE2 PHE 18 HE1 PHE 18 23.151 -7.793 -2.414
160 HZ PHE 18 HZ PHE 18 21.554 -7.885 -0.517
161 H LEU 19 HN LEU 19 29.210 -6.068 -0.938
162 HA LEU 19 HA LEU 19 28.666 -8.184 -2.812
163 HB2 LEU 19 HB2 LEU 19 30.800 -6.073 -2.565
164 HB3 LEU 19 HB1 LEU 19 30.919 -7.341 -3.782
165 HG LEU 19 HG LEU 19 29.814 -5.229 -4.605
166 HD11 LEU 19 HD11 LEU 19 27.565 -7.087 -4.791
167 HD12 LEU 19 HD12 LEU 19 29.108 -7.884 -5.090
168 HD13 LEU 19 HD13 LEU 19 28.632 -6.492 -6.061
169 HD21 LEU 19 HD21 LEU 19 27.478 -6.075 -2.887
170 HD22 LEU 19 HD22 LEU 19 27.692 -4.565 -3.773
171 HD23 LEU 19 HD23 LEU 19 28.657 -4.887 -2.333
172 H ALA 20 HN ALA 20 30.506 -7.922 0.059
173 HA ALA 20 HA ALA 20 32.298 -10.120 -0.669
174 HB1 ALA 20 HB1 ALA 20 33.667 -9.163 0.825
175 HB2 ALA 20 HB2 ALA 20 32.471 -9.398 2.100
176 HB3 ALA 20 HB3 ALA 20 32.445 -7.928 1.127
177 H PHE 21 HN PHE 21 29.777 -9.378 1.725
178 HA PHE 21 HA PHE 21 29.710 -12.104 2.688
179 HB2 PHE 21 HB2 PHE 21 28.056 -9.648 3.278
180 HB3 PHE 21 HB1 PHE 21 27.729 -11.220 4.007
181 HD1 PHE 21 HD2 PHE 21 30.585 -8.862 3.403
182 HD2 PHE 21 HD1 PHE 21 28.799 -11.771 6.011
183 HE1 PHE 21 HE2 PHE 21 32.372 -8.460 5.073
184 HE2 PHE 21 HE1 PHE 21 30.587 -11.370 7.682
185 HZ PHE 21 HZ PHE 21 32.372 -9.715 7.210
186 H GLY 22 HN GLY 22 27.769 -10.024 0.596
187 HA2 GLY 22 HA2 GLY 22 25.560 -11.769 0.281
188 HA3 GLY 22 HA1 GLY 22 26.022 -10.486 -0.833
189 H PHE 23 HN PHE 23 28.451 -11.250 -1.757
190 HA PHE 23 HA PHE 23 27.878 -13.117 -3.729
191 HB2 PHE 23 HB2 PHE 23 29.696 -11.697 -4.160
192 HB3 PHE 23 HB1 PHE 23 30.438 -12.034 -2.595
193 HD1 PHE 23 HD1 PHE 23 29.551 -13.596 -5.862
194 HD2 PHE 23 HD2 PHE 23 31.973 -13.793 -2.322
195 HE1 PHE 23 HE1 PHE 23 30.865 -15.444 -6.864
196 HE2 PHE 23 HE2 PHE 23 33.286 -15.639 -3.323
197 HZ PHE 23 HZ PHE 23 32.732 -16.470 -5.596
198 H TRP 24 HN TRP 24 28.708 -13.545 -0.438
199 HA TRP 24 HA TRP 24 29.492 -16.343 -0.844
200 HB2 TRP 24 HB2 TRP 24 30.953 -15.145 0.640
201 HB3 TRP 24 HB1 TRP 24 29.586 -14.532 1.574
202 HD1 TRP 24 HD1 TRP 24 30.795 -18.036 0.468
203 HE1 TRP 24 HE1 TRP 24 30.556 -19.639 2.476
204 HE3 TRP 24 HE3 TRP 24 28.892 -14.820 3.926
205 HZ2 TRP 24 HZ2 TRP 24 29.671 -19.559 5.191
206 HZ3 TRP 24 HZ3 TRP 24 28.357 -15.601 6.221
207 HH2 TRP 24 HH2 TRP 24 28.744 -17.966 6.855
208 H LEU 25 HN LEU 25 27.669 -14.787 1.746
209 HA LEU 25 HA LEU 25 26.137 -16.577 2.834
210 HB2 LEU 25 HB2 LEU 25 25.465 -13.861 1.886
211 HB3 LEU 25 HB1 LEU 25 24.095 -14.877 2.335
212 HG LEU 25 HG LEU 25 26.512 -14.674 4.114
213 HD11 LEU 25 HD11 LEU 25 25.391 -12.862 5.341
214 HD12 LEU 25 HD12 LEU 25 24.084 -12.857 4.157
215 HD13 LEU 25 HD13 LEU 25 25.710 -12.370 3.678
216 HD21 LEU 25 HD21 LEU 25 24.274 -16.259 4.204
217 HD22 LEU 25 HD22 LEU 25 23.775 -14.894 5.201
218 HD23 LEU 25 HD23 LEU 25 25.226 -15.806 5.617
219 H PHE 26 HN PHE 26 24.977 -15.215 -0.263
220 HA PHE 26 HA PHE 26 22.979 -17.224 -0.547
221 HB2 PHE 26 HB2 PHE 26 24.102 -15.603 -2.819
222 HB3 PHE 26 HB1 PHE 26 22.457 -16.197 -2.602
223 HD1 PHE 26 HD1 PHE 26 21.579 -15.457 -0.032
224 HD2 PHE 26 HD2 PHE 26 24.232 -13.283 -2.622
225 HE1 PHE 26 HE1 PHE 26 20.971 -13.349 1.114
226 HE2 PHE 26 HE2 PHE 26 23.624 -11.174 -1.471
227 HZ PHE 26 HZ PHE 26 21.995 -11.207 0.397
228 H LYS 27 HN LYS 27 25.862 -16.628 -2.558
229 HA LYS 27 HA LYS 27 25.747 -19.009 -3.992
230 HB2 LYS 27 HB2 LYS 27 28.385 -17.762 -3.239
231 HB3 LYS 27 HB1 LYS 27 27.945 -18.575 -4.734
232 HG2 LYS 27 HG2 LYS 27 26.815 -15.904 -3.823
233 HG3 LYS 27 HG1 LYS 27 28.103 -16.100 -4.997
234 HD2 LYS 27 HD2 LYS 27 25.292 -17.199 -5.301
235 HD3 LYS 27 HD1 LYS 27 25.917 -15.758 -6.091
236 HE2 LYS 27 HE2 LYS 27 26.322 -17.289 -7.766
237 HE3 LYS 27 HE1 LYS 27 27.832 -17.450 -6.868
238 HZ1 LYS 27 HZ1 LYS 27 26.067 -19.454 -7.434
239 HZ2 LYS 27 HZ2 LYS 27 25.759 -19.098 -5.802
240 HZ3 LYS 27 HZ3 LYS 27 27.327 -19.522 -6.300
241 H TYR 28 HN TYR 28 26.039 -18.863 -0.715
242 HA TYR 28 HA TYR 28 27.475 -21.452 -0.643
243 HB2 TYR 28 HB2 TYR 28 29.047 -20.359 0.549
244 HB3 TYR 28 HB1 TYR 28 27.986 -18.991 0.876
245 HD1 TYR 28 HD1 TYR 28 28.539 -22.568 1.815
246 HD2 TYR 28 HD2 TYR 28 27.013 -18.732 2.994
247 HE1 TYR 28 HE1 TYR 28 28.132 -23.433 4.106
248 HE2 TYR 28 HE2 TYR 28 26.603 -19.595 5.283
249 HH TYR 28 HH TYR 28 27.612 -21.506 6.730
250 H LEU 29 HN LEU 29 24.925 -19.420 0.702
251 HA LEU 29 HA LEU 29 23.912 -21.744 2.212
252 HB2 LEU 29 HB2 LEU 29 24.318 -19.272 3.148
253 HB3 LEU 29 HB1 LEU 29 22.683 -19.054 2.527
254 HG LEU 29 HG LEU 29 23.555 -21.240 4.444
255 HD11 LEU 29 HD11 LEU 29 22.023 -19.944 6.010
256 HD12 LEU 29 HD12 LEU 29 22.070 -18.634 4.832
257 HD13 LEU 29 HD13 LEU 29 23.555 -19.160 5.625
258 HD21 LEU 29 HD21 LEU 29 20.906 -21.258 4.635
259 HD22 LEU 29 HD22 LEU 29 21.719 -22.174 3.369
260 HD23 LEU 29 HD23 LEU 29 21.003 -20.605 3.001
261 H GLN 30 HN GLN 30 22.964 -19.299 -0.160
262 HA GLN 30 HA GLN 30 20.258 -20.168 -0.399
263 HB2 GLN 30 HB2 GLN 30 20.793 -17.950 -1.093
264 HB3 GLN 30 HB1 GLN 30 22.035 -18.525 -2.202
265 HG2 GLN 30 HG2 GLN 30 20.525 -19.225 -3.779
266 HG3 GLN 30 HG1 GLN 30 19.271 -19.565 -2.588
267 HE21 GLN 30 HE21 GLN 30 20.744 -16.461 -2.164
268 HE22 GLN 30 HE22 GLN 30 19.514 -15.547 -2.890
269 H LYS 31 HN LYS 31 23.238 -21.359 -1.678
270 HA LYS 31 HA LYS 31 21.874 -22.882 -3.781
271 HB2 LYS 31 HB2 LYS 31 24.682 -22.123 -3.189
272 HB3 LYS 31 HB1 LYS 31 24.436 -23.677 -3.982
273 HG2 LYS 31 HG2 LYS 31 24.717 -21.871 -5.641
274 HG3 LYS 31 HG1 LYS 31 23.105 -22.578 -5.744
275 HD2 LYS 31 HD2 LYS 31 22.116 -20.731 -4.592
276 HD3 LYS 31 HD1 LYS 31 23.688 -20.115 -4.086
277 HE2 LYS 31 HE2 LYS 31 23.978 -19.001 -6.032
278 HE3 LYS 31 HE1 LYS 31 23.495 -20.401 -6.988
279 HZ1 LYS 31 HZ1 LYS 31 21.620 -19.321 -7.395
280 HZ2 LYS 31 HZ2 LYS 31 21.977 -18.110 -6.258
281 HZ3 LYS 31 HZ3 LYS 31 21.199 -19.537 -5.765
282 H LYS 32 HN LYS 32 21.811 -23.331 -0.704
283 HA LYS 32 HA LYS 32 22.802 -26.099 -0.650
284 HB2 LYS 32 HB2 LYS 32 21.712 -24.373 1.586
285 HB3 LYS 32 HB1 LYS 32 22.397 -25.984 1.778
286 HG2 LYS 32 HG2 LYS 32 23.916 -23.654 0.571
287 HG3 LYS 32 HG1 LYS 32 23.994 -24.079 2.278
288 HD2 LYS 32 HD2 LYS 32 25.653 -25.510 1.758
289 HD3 LYS 32 HD1 LYS 32 24.461 -26.498 0.918
290 HE2 LYS 32 HE2 LYS 32 24.826 -25.007 -1.110
291 HE3 LYS 32 HE1 LYS 32 26.197 -24.309 -0.249
292 HZ1 LYS 32 HZ1 LYS 32 27.187 -26.000 -1.413
293 HZ2 LYS 32 HZ2 LYS 32 25.847 -27.035 -1.290
294 HZ3 LYS 32 HZ3 LYS 32 26.855 -26.784 0.053
Start of MODEL 40
1 H1 LYS 1 HT1 LYS 1 21.514 18.160 -2.676
2 H2 LYS 1 HT2 LYS 1 22.395 16.725 -2.456
3 H3 LYS 1 HT3 LYS 1 21.667 17.490 -1.126
4 HA LYS 1 HA LYS 1 19.734 16.488 -1.461
5 HB2 LYS 1 HB2 LYS 1 19.807 18.135 -3.622
6 HB3 LYS 1 HB1 LYS 1 19.761 16.569 -4.431
7 HG2 LYS 1 HG2 LYS 1 17.803 17.474 -2.292
8 HG3 LYS 1 HG1 LYS 1 17.483 17.479 -4.025
9 HD2 LYS 1 HD2 LYS 1 17.887 15.028 -4.091
10 HD3 LYS 1 HD1 LYS 1 18.123 15.038 -2.344
11 HE2 LYS 1 HE2 LYS 1 15.697 16.413 -2.819
12 HE3 LYS 1 HE1 LYS 1 15.652 14.963 -3.824
13 HZ1 LYS 1 HZ1 LYS 1 15.354 15.180 -1.031
14 HZ2 LYS 1 HZ2 LYS 1 16.715 14.223 -1.369
15 HZ3 LYS 1 HZ3 LYS 1 15.200 13.803 -2.011
16 H LYS 2 HN LYS 2 22.180 15.075 -1.340
17 HA LYS 2 HA LYS 2 22.069 12.929 -3.296
18 HB2 LYS 2 HB2 LYS 2 24.262 13.573 -2.583
19 HB3 LYS 2 HB1 LYS 2 23.814 13.437 -0.881
20 HG2 LYS 2 HG2 LYS 2 23.886 11.126 -0.903
21 HG3 LYS 2 HG1 LYS 2 23.471 11.024 -2.614
22 HD2 LYS 2 HD2 LYS 2 25.844 10.394 -2.165
23 HD3 LYS 2 HD1 LYS 2 25.703 11.783 -3.243
24 HE2 LYS 2 HE2 LYS 2 25.840 12.376 -0.332
25 HE3 LYS 2 HE1 LYS 2 27.320 11.783 -1.086
26 HZ1 LYS 2 HZ1 LYS 2 27.585 13.921 -1.645
27 HZ2 LYS 2 HZ2 LYS 2 25.941 14.300 -1.446
28 HZ3 LYS 2 HZ3 LYS 2 26.480 13.574 -2.885
29 H HIS 3 HN HIS 3 22.516 12.475 0.171
30 HA HIS 3 HA HIS 3 19.966 11.188 0.556
31 HB2 HIS 3 HB2 HIS 3 21.270 9.449 -0.686
32 HB3 HIS 3 HB1 HIS 3 22.447 9.456 0.628
33 HD2 HIS 3 HD2 HIS 3 21.481 6.709 1.124
34 HE1 HIS 3 HE1 HIS 3 17.911 8.038 2.940
35 HE2 HIS 3 HE2 HIS 3 19.411 6.026 2.560
36 H THR 4 HN THR 4 21.969 9.467 2.434
37 HA THR 4 HA THR 4 21.981 11.492 4.597
38 HB THR 4 HB THR 4 20.362 9.787 5.128
39 HG1 THR 4 HG1 THR 4 22.188 10.427 6.657
40 HG21 THR 4 HG21 THR 4 21.959 7.437 5.325
41 HG22 THR 4 HG22 THR 4 22.193 8.104 3.709
42 HG23 THR 4 HG23 THR 4 20.571 7.720 4.278
43 H ILE 5 HN ILE 5 23.305 8.650 5.634
44 HA ILE 5 HA ILE 5 26.049 9.621 5.122
45 HB ILE 5 HB ILE 5 26.546 8.129 7.170
46 HG12 ILE 5 HG12 ILE 5 23.815 8.679 8.130
47 HG13 ILE 5 HG11 ILE 5 23.897 7.445 6.874
48 HG21 ILE 5 HG21 ILE 5 26.779 10.454 7.457
49 HG22 ILE 5 HG22 ILE 5 25.604 10.008 8.694
50 HG23 ILE 5 HG23 ILE 5 25.060 10.749 7.189
51 HD11 ILE 5 HD11 ILE 5 25.381 6.097 8.139
52 HD12 ILE 5 HD12 ILE 5 24.164 6.636 9.296
53 HD13 ILE 5 HD13 ILE 5 25.748 7.412 9.255
54 H TRP 6 HN TRP 6 23.831 7.002 4.728
55 HA TRP 6 HA TRP 6 25.359 4.755 4.493
56 HB2 TRP 6 HB2 TRP 6 22.872 5.695 3.368
57 HB3 TRP 6 HB1 TRP 6 23.756 4.740 2.178
58 HD1 TRP 6 HD1 TRP 6 22.626 2.448 2.300
59 HE1 TRP 6 HE1 TRP 6 22.176 0.727 4.158
60 HE3 TRP 6 HE3 TRP 6 24.040 5.174 6.368
61 HZ2 TRP 6 HZ2 TRP 6 22.389 0.534 6.999
62 HZ3 TRP 6 HZ3 TRP 6 23.907 4.199 8.644
63 HH2 TRP 6 HH2 TRP 6 23.083 1.883 8.965
64 H GLU 7 HN GLU 7 24.759 6.972 1.757
65 HA GLU 7 HA GLU 7 26.580 5.853 -0.021
66 HB2 GLU 7 HB2 GLU 7 25.072 8.312 0.210
67 HB3 GLU 7 HB1 GLU 7 26.651 8.597 -0.523
68 HG2 GLU 7 HG2 GLU 7 24.748 6.414 -1.409
69 HG3 GLU 7 HG1 GLU 7 24.848 7.998 -2.177
70 H VAL 8 HN VAL 8 27.259 7.348 2.917
71 HA VAL 8 HA VAL 8 29.960 8.156 2.069
72 HB VAL 8 HB VAL 8 28.767 8.652 4.788
73 HG11 VAL 8 HG11 VAL 8 30.572 10.016 5.095
74 HG12 VAL 8 HG12 VAL 8 30.576 10.555 3.416
75 HG13 VAL 8 HG13 VAL 8 31.290 9.001 3.844
76 HG21 VAL 8 HG21 VAL 8 28.041 10.855 3.927
77 HG22 VAL 8 HG22 VAL 8 27.203 9.549 3.090
78 HG23 VAL 8 HG23 VAL 8 28.542 10.384 2.302
79 H ILE 9 HN ILE 9 28.234 6.032 4.312
80 HA ILE 9 HA ILE 9 30.797 4.732 4.970
81 HB ILE 9 HB ILE 9 30.022 5.439 7.015
82 HG12 ILE 9 HG12 ILE 9 29.910 2.745 6.676
83 HG13 ILE 9 HG11 ILE 9 29.630 3.546 8.208
84 HG21 ILE 9 HG21 ILE 9 27.245 5.038 5.922
85 HG22 ILE 9 HG22 ILE 9 28.047 6.542 6.372
86 HG23 ILE 9 HG23 ILE 9 27.560 5.405 7.620
87 HD11 ILE 9 HD11 ILE 9 27.270 3.399 8.000
88 HD12 ILE 9 HD12 ILE 9 27.872 1.823 7.494
89 HD13 ILE 9 HD13 ILE 9 27.358 2.997 6.291
90 H ALA 10 HN ALA 10 27.368 4.137 4.256
91 HA ALA 10 HA ALA 10 27.677 1.308 3.984
92 HB1 ALA 10 HB1 ALA 10 25.501 2.417 4.429
93 HB2 ALA 10 HB2 ALA 10 25.446 1.358 3.021
94 HB3 ALA 10 HB3 ALA 10 25.546 3.106 2.805
95 H GLY 11 HN GLY 11 26.888 3.705 1.450
96 HA2 GLY 11 HA2 GLY 11 27.467 2.121 -0.750
97 HA3 GLY 11 HA1 GLY 11 27.621 3.879 -0.732
98 H LEU 12 HN LEU 12 29.532 3.282 1.654
99 HA LEU 12 HA LEU 12 31.921 3.003 -0.029
100 HB2 LEU 12 HB2 LEU 12 31.561 5.048 1.468
101 HB3 LEU 12 HB1 LEU 12 31.850 3.964 2.828
102 HG LEU 12 HG LEU 12 33.960 3.283 1.315
103 HD11 LEU 12 HD11 LEU 12 33.100 5.064 -0.377
104 HD12 LEU 12 HD12 LEU 12 34.819 5.053 0.019
105 HD13 LEU 12 HD13 LEU 12 33.749 6.239 0.766
106 HD21 LEU 12 HD21 LEU 12 34.111 4.051 3.622
107 HD22 LEU 12 HD22 LEU 12 33.738 5.704 3.132
108 HD23 LEU 12 HD23 LEU 12 35.263 4.963 2.648
109 H VAL 13 HN VAL 13 30.141 1.560 2.594
110 HA VAL 13 HA VAL 13 32.263 -0.484 2.899
111 HB VAL 13 HB VAL 13 30.149 0.333 4.908
112 HG11 VAL 13 HG11 VAL 13 32.382 -1.712 4.954
113 HG12 VAL 13 HG12 VAL 13 30.655 -2.004 5.165
114 HG13 VAL 13 HG13 VAL 13 31.562 -1.143 6.409
115 HG21 VAL 13 HG21 VAL 13 32.257 1.840 4.358
116 HG22 VAL 13 HG22 VAL 13 33.116 0.613 5.288
117 HG23 VAL 13 HG23 VAL 13 31.807 1.529 6.034
118 H ALA 14 HN ALA 14 28.718 -0.103 3.204
119 HA ALA 14 HA ALA 14 27.916 -2.708 3.150
120 HB1 ALA 14 HB1 ALA 14 26.665 -0.473 1.532
121 HB2 ALA 14 HB2 ALA 14 26.354 -0.795 3.237
122 HB3 ALA 14 HB3 ALA 14 25.870 -1.972 2.015
123 H LEU 15 HN LEU 15 28.938 -0.764 0.364
124 HA LEU 15 HA LEU 15 28.455 -2.783 -1.578
125 HB2 LEU 15 HB2 LEU 15 28.878 -0.284 -1.995
126 HB3 LEU 15 HB1 LEU 15 30.587 -0.659 -1.784
127 HG LEU 15 HG LEU 15 30.314 -2.472 -3.531
128 HD11 LEU 15 HD11 LEU 15 28.164 -1.447 -5.003
129 HD12 LEU 15 HD12 LEU 15 27.554 -1.552 -3.353
130 HD13 LEU 15 HD13 LEU 15 28.208 -2.984 -4.145
131 HD21 LEU 15 HD21 LEU 15 29.993 0.466 -4.098
132 HD22 LEU 15 HD22 LEU 15 30.068 -0.689 -5.430
133 HD23 LEU 15 HD23 LEU 15 31.417 -0.552 -4.303
134 H LEU 16 HN LEU 16 31.229 -1.888 0.401
135 HA LEU 16 HA LEU 16 32.945 -3.909 -0.742
136 HB2 LEU 16 HB2 LEU 16 33.389 -2.357 1.808
137 HB3 LEU 16 HB1 LEU 16 34.604 -3.124 0.782
138 HG LEU 16 HG LEU 16 32.843 -0.775 0.017
139 HD11 LEU 16 HD11 LEU 16 35.855 -0.911 0.290
140 HD12 LEU 16 HD12 LEU 16 34.798 -0.373 1.595
141 HD13 LEU 16 HD13 LEU 16 34.857 0.528 0.080
142 HD21 LEU 16 HD21 LEU 16 33.159 -1.931 -1.999
143 HD22 LEU 16 HD22 LEU 16 34.751 -2.524 -1.522
144 HD23 LEU 16 HD23 LEU 16 34.538 -0.832 -1.980
145 H THR 17 HN THR 17 30.458 -3.902 1.522
146 HA THR 17 HA THR 17 31.523 -6.293 2.885
147 HB THR 17 HB THR 17 29.632 -4.141 3.730
148 HG1 THR 17 HG1 THR 17 31.990 -5.331 4.548
149 HG21 THR 17 HG21 THR 17 29.121 -5.740 5.701
150 HG22 THR 17 HG22 THR 17 29.610 -7.025 4.596
151 HG23 THR 17 HG23 THR 17 28.242 -5.987 4.192
152 H PHE 18 HN PHE 18 28.308 -5.017 2.003
153 HA PHE 18 HA PHE 18 26.816 -7.266 1.968
154 HB2 PHE 18 HB2 PHE 18 26.207 -4.860 1.234
155 HB3 PHE 18 HB1 PHE 18 26.661 -5.395 -0.383
156 HD1 PHE 18 HD2 PHE 18 24.360 -5.995 2.463
157 HD2 PHE 18 HD1 PHE 18 25.290 -6.934 -1.620
158 HE1 PHE 18 HE2 PHE 18 22.161 -7.110 2.214
159 HE2 PHE 18 HE1 PHE 18 23.102 -8.045 -1.873
160 HZ PHE 18 HZ PHE 18 21.527 -8.137 0.047
161 H LEU 19 HN LEU 19 29.095 -6.291 -0.576
162 HA LEU 19 HA LEU 19 28.519 -8.549 -2.270
163 HB2 LEU 19 HB2 LEU 19 30.660 -6.432 -2.218
164 HB3 LEU 19 HB1 LEU 19 30.777 -7.807 -3.313
165 HG LEU 19 HG LEU 19 28.703 -7.238 -4.384
166 HD11 LEU 19 HD11 LEU 19 27.320 -6.574 -2.571
167 HD12 LEU 19 HD12 LEU 19 27.472 -5.140 -3.579
168 HD13 LEU 19 HD13 LEU 19 28.421 -5.282 -2.101
169 HD21 LEU 19 HD21 LEU 19 30.578 -5.943 -5.202
170 HD22 LEU 19 HD22 LEU 19 30.414 -4.790 -3.879
171 HD23 LEU 19 HD23 LEU 19 29.173 -4.880 -5.128
172 H ALA 20 HN ALA 20 31.303 -7.676 -0.209
173 HA ALA 20 HA ALA 20 32.834 -9.942 -0.517
174 HB1 ALA 20 HB1 ALA 20 33.007 -9.370 2.214
175 HB2 ALA 20 HB2 ALA 20 32.582 -7.833 1.461
176 HB3 ALA 20 HB3 ALA 20 34.021 -8.704 0.932
177 H PHE 21 HN PHE 21 30.206 -9.449 1.843
178 HA PHE 21 HA PHE 21 30.337 -12.197 2.734
179 HB2 PHE 21 HB2 PHE 21 28.472 -9.904 3.353
180 HB3 PHE 21 HB1 PHE 21 28.280 -11.515 4.047
181 HD1 PHE 21 HD1 PHE 21 30.895 -8.876 3.537
182 HD2 PHE 21 HD2 PHE 21 29.395 -12.029 6.040
183 HE1 PHE 21 HE1 PHE 21 32.617 -8.343 5.239
184 HE2 PHE 21 HE2 PHE 21 31.117 -11.496 7.741
185 HZ PHE 21 HZ PHE 21 32.728 -9.653 7.341
186 H GLY 22 HN GLY 22 28.326 -10.248 0.599
187 HA2 GLY 22 HA2 GLY 22 26.195 -12.052 0.237
188 HA3 GLY 22 HA1 GLY 22 26.699 -10.826 -0.923
189 H PHE 23 HN PHE 23 29.183 -11.606 -1.657
190 HA PHE 23 HA PHE 23 28.790 -13.483 -3.623
191 HB2 PHE 23 HB2 PHE 23 31.068 -12.135 -2.461
192 HB3 PHE 23 HB1 PHE 23 31.479 -13.801 -2.866
193 HD1 PHE 23 HD1 PHE 23 30.358 -14.605 -5.201
194 HD2 PHE 23 HD2 PHE 23 31.376 -10.562 -4.161
195 HE1 PHE 23 HE1 PHE 23 30.452 -14.011 -7.606
196 HE2 PHE 23 HE2 PHE 23 31.472 -9.968 -6.565
197 HZ PHE 23 HZ PHE 23 31.009 -11.693 -8.289
198 H TRP 24 HN TRP 24 29.119 -13.958 -0.264
199 HA TRP 24 HA TRP 24 29.652 -16.831 -0.598
200 HB2 TRP 24 HB2 TRP 24 31.148 -15.823 0.981
201 HB3 TRP 24 HB1 TRP 24 29.817 -15.012 1.807
202 HD1 TRP 24 HD1 TRP 24 30.592 -18.666 0.812
203 HE1 TRP 24 HE1 TRP 24 29.990 -20.189 2.808
204 HE3 TRP 24 HE3 TRP 24 28.936 -15.161 4.111
205 HZ2 TRP 24 HZ2 TRP 24 28.942 -19.942 5.454
206 HZ3 TRP 24 HZ3 TRP 24 28.138 -15.823 6.367
207 HH2 TRP 24 HH2 TRP 24 28.140 -18.208 7.040
208 H LEU 25 HN LEU 25 27.844 -14.988 1.823
209 HA LEU 25 HA LEU 25 26.026 -16.580 2.806
210 HB2 LEU 25 HB2 LEU 25 25.765 -13.806 1.808
211 HB3 LEU 25 HB1 LEU 25 24.255 -14.645 2.174
212 HG LEU 25 HG LEU 25 26.554 -14.733 4.108
213 HD11 LEU 25 HD11 LEU 25 25.618 -12.759 5.243
214 HD12 LEU 25 HD12 LEU 25 24.418 -12.585 3.964
215 HD13 LEU 25 HD13 LEU 25 26.128 -12.346 3.606
216 HD21 LEU 25 HD21 LEU 25 23.726 -14.550 4.972
217 HD22 LEU 25 HD22 LEU 25 25.011 -15.611 5.549
218 HD23 LEU 25 HD23 LEU 25 24.142 -16.005 4.067
219 H PHE 26 HN PHE 26 25.310 -15.105 -0.372
220 HA PHE 26 HA PHE 26 23.105 -16.854 -0.835
221 HB2 PHE 26 HB2 PHE 26 24.618 -15.386 -2.986
222 HB3 PHE 26 HB1 PHE 26 22.901 -15.778 -2.930
223 HD1 PHE 26 HD2 PHE 26 21.915 -14.940 -0.406
224 HD2 PHE 26 HD1 PHE 26 24.968 -13.088 -2.797
225 HE1 PHE 26 HE2 PHE 26 21.462 -12.773 0.696
226 HE2 PHE 26 HE1 PHE 26 24.509 -10.917 -1.694
227 HZ PHE 26 HZ PHE 26 22.762 -10.760 0.055
228 H LYS 27 HN LYS 27 26.220 -16.618 -2.555
229 HA LYS 27 HA LYS 27 25.979 -18.948 -4.031
230 HB2 LYS 27 HB2 LYS 27 28.605 -17.969 -2.915
231 HB3 LYS 27 HB1 LYS 27 28.315 -18.799 -4.443
232 HG2 LYS 27 HG2 LYS 27 27.450 -15.990 -3.701
233 HG3 LYS 27 HG1 LYS 27 28.621 -16.452 -4.933
234 HD2 LYS 27 HD2 LYS 27 26.651 -17.808 -5.965
235 HD3 LYS 27 HD1 LYS 27 25.630 -16.778 -4.960
236 HE2 LYS 27 HE2 LYS 27 27.187 -14.873 -6.024
237 HE3 LYS 27 HE1 LYS 27 27.302 -16.063 -7.322
238 HZ1 LYS 27 HZ1 LYS 27 25.357 -14.338 -7.248
239 HZ2 LYS 27 HZ2 LYS 27 24.664 -15.475 -6.193
240 HZ3 LYS 27 HZ3 LYS 27 25.087 -15.927 -7.775
241 H TYR 28 HN TYR 28 25.944 -18.848 -0.719
242 HA TYR 28 HA TYR 28 26.982 -21.614 -0.548
243 HB2 TYR 28 HB2 TYR 28 28.546 -20.773 0.836
244 HB3 TYR 28 HB1 TYR 28 27.679 -19.258 1.048
245 HD1 TYR 28 HD2 TYR 28 27.396 -22.882 1.963
246 HD2 TYR 28 HD1 TYR 28 26.703 -18.803 3.118
247 HE1 TYR 28 HE2 TYR 28 26.625 -23.643 4.195
248 HE2 TYR 28 HE1 TYR 28 25.937 -19.564 5.350
249 HH TYR 28 HH TYR 28 26.528 -22.542 6.579
250 H LEU 29 HN LEU 29 24.610 -19.256 0.572
251 HA LEU 29 HA LEU 29 23.122 -21.429 1.901
252 HB2 LEU 29 HB2 LEU 29 23.745 -19.033 2.931
253 HB3 LEU 29 HB1 LEU 29 22.252 -18.588 2.113
254 HG LEU 29 HG LEU 29 21.719 -19.233 4.387
255 HD11 LEU 29 HD11 LEU 29 19.996 -20.764 3.949
256 HD12 LEU 29 HD12 LEU 29 20.951 -21.645 2.757
257 HD13 LEU 29 HD13 LEU 29 20.303 -20.050 2.368
258 HD21 LEU 29 HD21 LEU 29 22.810 -20.862 5.496
259 HD22 LEU 29 HD22 LEU 29 23.836 -21.055 4.078
260 HD23 LEU 29 HD23 LEU 29 22.395 -22.052 4.262
261 H GLN 30 HN GLN 30 22.779 -18.836 -0.485
262 HA GLN 30 HA GLN 30 20.038 -19.351 -1.060
263 HB2 GLN 30 HB2 GLN 30 20.948 -17.228 -1.676
264 HB3 GLN 30 HB1 GLN 30 22.207 -17.982 -2.651
265 HG2 GLN 30 HG2 GLN 30 20.789 -18.487 -4.377
266 HG3 GLN 30 HG1 GLN 30 19.387 -18.652 -3.321
267 HE21 GLN 30 HE21 GLN 30 21.144 -15.741 -2.709
268 HE22 GLN 30 HE22 GLN 30 20.129 -14.698 -3.579
269 H LYS 31 HN LYS 31 22.954 -20.950 -1.951
270 HA LYS 31 HA LYS 31 21.760 -22.244 -4.276
271 HB2 LYS 31 HB2 LYS 31 24.456 -21.939 -3.159
272 HB3 LYS 31 HB1 LYS 31 24.130 -23.556 -3.781
273 HG2 LYS 31 HG2 LYS 31 25.036 -22.165 -5.571
274 HG3 LYS 31 HG1 LYS 31 23.350 -22.539 -5.925
275 HD2 LYS 31 HD2 LYS 31 23.362 -20.173 -4.343
276 HD3 LYS 31 HD1 LYS 31 24.583 -19.964 -5.598
277 HE2 LYS 31 HE2 LYS 31 22.881 -20.695 -7.295
278 HE3 LYS 31 HE1 LYS 31 21.671 -20.689 -6.013
279 HZ1 LYS 31 HZ1 LYS 31 22.390 -18.321 -5.598
280 HZ2 LYS 31 HZ2 LYS 31 21.523 -18.602 -7.032
281 HZ3 LYS 31 HZ3 LYS 31 23.210 -18.400 -7.081
282 H LYS 32 HN LYS 32 21.395 -22.631 -1.066
283 HA LYS 32 HA LYS 32 21.556 -25.543 -0.997
284 HB2 LYS 32 HB2 LYS 32 20.570 -23.613 1.115
285 HB3 LYS 32 HB1 LYS 32 20.935 -25.318 1.352
286 HG2 LYS 32 HG2 LYS 32 22.968 -23.284 0.393
287 HG3 LYS 32 HG1 LYS 32 22.772 -23.737 2.083
288 HD2 LYS 32 HD2 LYS 32 24.230 -25.414 1.687
289 HD3 LYS 32 HD1 LYS 32 22.967 -26.189 0.735
290 HE2 LYS 32 HE2 LYS 32 23.760 -24.775 -1.233
291 HE3 LYS 32 HE1 LYS 32 25.158 -24.350 -0.249
292 HZ1 LYS 32 HZ1 LYS 32 24.327 -27.084 -1.053
293 HZ2 LYS 32 HZ2 LYS 32 25.612 -26.736 0.003
294 HZ3 LYS 32 HZ3 LYS 32 25.680 -26.232 -1.618
Start of MODEL 41
1 H1 LYS 1 HT1 LYS 1 20.098 17.609 -0.734
2 H2 LYS 1 HT2 LYS 1 20.673 18.637 0.491
3 H3 LYS 1 HT3 LYS 1 20.788 16.951 0.667
4 HA LYS 1 HA LYS 1 22.137 18.397 -1.533
5 HB2 LYS 1 HB2 LYS 1 22.873 18.126 1.339
6 HB3 LYS 1 HB1 LYS 1 24.156 17.837 0.162
7 HG2 LYS 1 HG2 LYS 1 23.728 20.013 -0.881
8 HG3 LYS 1 HG1 LYS 1 22.394 20.303 0.234
9 HD2 LYS 1 HD2 LYS 1 24.769 19.582 1.711
10 HD3 LYS 1 HD1 LYS 1 25.114 20.939 0.637
11 HE2 LYS 1 HE2 LYS 1 22.736 20.823 2.514
12 HE3 LYS 1 HE1 LYS 1 24.252 21.644 2.887
13 HZ1 LYS 1 HZ1 LYS 1 23.439 22.465 0.351
14 HZ2 LYS 1 HZ2 LYS 1 23.532 23.392 1.772
15 HZ3 LYS 1 HZ3 LYS 1 22.090 22.587 1.371
16 H LYS 2 HN LYS 2 21.860 15.607 0.645
17 HA LYS 2 HA LYS 2 22.465 13.808 -1.553
18 HB2 LYS 2 HB2 LYS 2 24.718 14.259 -0.828
19 HB3 LYS 2 HB1 LYS 2 24.272 14.022 0.864
20 HG2 LYS 2 HG2 LYS 2 23.939 11.690 0.561
21 HG3 LYS 2 HG1 LYS 2 23.909 11.841 -1.195
22 HD2 LYS 2 HD2 LYS 2 26.067 10.914 -0.326
23 HD3 LYS 2 HD1 LYS 2 26.272 12.411 -1.237
24 HE2 LYS 2 HE2 LYS 2 25.884 12.519 1.743
25 HE3 LYS 2 HE1 LYS 2 27.477 12.155 1.076
26 HZ1 LYS 2 HZ1 LYS 2 26.630 14.263 -0.407
27 HZ2 LYS 2 HZ2 LYS 2 27.705 14.347 0.904
28 HZ3 LYS 2 HZ3 LYS 2 26.048 14.641 1.140
29 H HIS 3 HN HIS 3 22.142 11.538 -0.948
30 HA HIS 3 HA HIS 3 19.775 10.963 0.246
31 HB2 HIS 3 HB2 HIS 3 21.048 9.283 -0.970
32 HB3 HIS 3 HB1 HIS 3 22.272 9.252 0.298
33 HD2 HIS 3 HD2 HIS 3 21.490 6.482 0.785
34 HE1 HIS 3 HE1 HIS 3 17.807 7.518 2.567
35 HE2 HIS 3 HE2 HIS 3 19.449 5.622 2.169
36 H THR 4 HN THR 4 22.376 9.550 2.072
37 HA THR 4 HA THR 4 21.824 11.190 4.425
38 HB THR 4 HB THR 4 20.125 9.452 4.604
39 HG1 THR 4 HG1 THR 4 20.708 8.758 6.608
40 HG21 THR 4 HG21 THR 4 20.471 7.334 3.927
41 HG22 THR 4 HG22 THR 4 21.898 7.176 4.944
42 HG23 THR 4 HG23 THR 4 22.042 7.859 3.325
43 H ILE 5 HN ILE 5 22.973 8.445 5.644
44 HA ILE 5 HA ILE 5 25.763 9.343 5.400
45 HB ILE 5 HB ILE 5 26.041 7.681 7.353
46 HG12 ILE 5 HG12 ILE 5 23.212 8.131 8.041
47 HG13 ILE 5 HG11 ILE 5 23.455 7.014 6.697
48 HG21 ILE 5 HG21 ILE 5 24.692 9.465 8.842
49 HG22 ILE 5 HG22 ILE 5 24.713 10.347 7.315
50 HG23 ILE 5 HG23 ILE 5 26.228 9.855 8.073
51 HD11 ILE 5 HD11 ILE 5 24.844 5.586 8.005
52 HD12 ILE 5 HD12 ILE 5 23.457 5.967 9.026
53 HD13 ILE 5 HD13 ILE 5 24.996 6.789 9.285
54 H TRP 6 HN TRP 6 23.618 6.710 4.648
55 HA TRP 6 HA TRP 6 25.187 4.516 4.342
56 HB2 TRP 6 HB2 TRP 6 22.799 5.530 3.077
57 HB3 TRP 6 HB1 TRP 6 23.796 4.678 1.901
58 HD1 TRP 6 HD1 TRP 6 22.679 2.382 1.736
59 HE1 TRP 6 HE1 TRP 6 22.093 0.511 3.404
60 HE3 TRP 6 HE3 TRP 6 23.712 4.769 6.120
61 HZ2 TRP 6 HZ2 TRP 6 22.065 0.086 6.226
62 HZ3 TRP 6 HZ3 TRP 6 23.398 3.612 8.288
63 HH2 TRP 6 HH2 TRP 6 22.575 1.272 8.348
64 H GLU 7 HN GLU 7 24.710 6.704 1.568
65 HA GLU 7 HA GLU 7 26.751 5.803 -0.027
66 HB2 GLU 7 HB2 GLU 7 25.508 8.501 0.344
67 HB3 GLU 7 HB1 GLU 7 26.876 8.317 -0.751
68 HG2 GLU 7 HG2 GLU 7 25.666 6.540 -1.964
69 HG3 GLU 7 HG1 GLU 7 24.294 6.734 -0.873
70 H VAL 8 HN VAL 8 27.107 7.258 3.024
71 HA VAL 8 HA VAL 8 29.859 8.115 2.454
72 HB VAL 8 HB VAL 8 28.499 8.468 5.108
73 HG11 VAL 8 HG11 VAL 8 31.021 8.967 4.354
74 HG12 VAL 8 HG12 VAL 8 30.163 10.009 5.489
75 HG13 VAL 8 HG13 VAL 8 30.277 10.464 3.789
76 HG21 VAL 8 HG21 VAL 8 28.247 10.257 2.665
77 HG22 VAL 8 HG22 VAL 8 27.674 10.655 4.284
78 HG23 VAL 8 HG23 VAL 8 26.937 9.327 3.388
79 H ILE 9 HN ILE 9 28.009 5.831 4.418
80 HA ILE 9 HA ILE 9 30.545 4.566 5.235
81 HB ILE 9 HB ILE 9 29.612 5.125 7.249
82 HG12 ILE 9 HG12 ILE 9 29.522 2.459 6.762
83 HG13 ILE 9 HG11 ILE 9 29.096 3.178 8.302
84 HG21 ILE 9 HG21 ILE 9 26.934 4.821 5.911
85 HG22 ILE 9 HG22 ILE 9 27.704 6.285 6.523
86 HG23 ILE 9 HG23 ILE 9 27.107 5.077 7.651
87 HD11 ILE 9 HD11 ILE 9 27.416 1.505 7.319
88 HD12 ILE 9 HD12 ILE 9 27.015 2.758 6.152
89 HD13 ILE 9 HD13 ILE 9 26.769 3.048 7.870
90 H ALA 10 HN ALA 10 27.221 3.963 4.177
91 HA ALA 10 HA ALA 10 27.586 1.150 3.806
92 HB1 ALA 10 HB1 ALA 10 25.563 3.004 2.523
93 HB2 ALA 10 HB2 ALA 10 25.359 2.196 4.077
94 HB3 ALA 10 HB3 ALA 10 25.465 1.245 2.597
95 H GLY 11 HN GLY 11 27.000 3.644 1.309
96 HA2 GLY 11 HA2 GLY 11 27.839 2.183 -0.887
97 HA3 GLY 11 HA1 GLY 11 27.961 3.940 -0.771
98 H LEU 12 HN LEU 12 29.623 3.280 1.768
99 HA LEU 12 HA LEU 12 32.180 3.117 0.344
100 HB2 LEU 12 HB2 LEU 12 31.634 5.064 1.897
101 HB3 LEU 12 HB1 LEU 12 31.761 3.909 3.225
102 HG LEU 12 HG LEU 12 34.046 3.349 1.846
103 HD11 LEU 12 HD11 LEU 12 33.605 5.226 0.274
104 HD12 LEU 12 HD12 LEU 12 35.082 5.478 1.206
105 HD13 LEU 12 HD13 LEU 12 33.607 6.344 1.637
106 HD21 LEU 12 HD21 LEU 12 33.595 5.441 3.997
107 HD22 LEU 12 HD22 LEU 12 35.173 4.776 3.578
108 HD23 LEU 12 HD23 LEU 12 33.924 3.727 4.250
109 H VAL 13 HN VAL 13 30.163 1.491 2.673
110 HA VAL 13 HA VAL 13 32.276 -0.545 3.074
111 HB VAL 13 HB VAL 13 29.972 0.142 4.915
112 HG11 VAL 13 HG11 VAL 13 31.321 -1.389 6.459
113 HG12 VAL 13 HG12 VAL 13 32.192 -1.909 5.017
114 HG13 VAL 13 HG13 VAL 13 30.455 -2.183 5.143
115 HG21 VAL 13 HG21 VAL 13 31.492 1.298 6.251
116 HG22 VAL 13 HG22 VAL 13 32.106 1.695 4.647
117 HG23 VAL 13 HG23 VAL 13 32.881 0.429 5.600
118 H ALA 14 HN ALA 14 28.717 -0.200 3.051
119 HA ALA 14 HA ALA 14 27.959 -2.812 2.782
120 HB1 ALA 14 HB1 ALA 14 26.855 -0.366 1.390
121 HB2 ALA 14 HB2 ALA 14 26.270 -1.117 2.874
122 HB3 ALA 14 HB3 ALA 14 26.072 -1.944 1.330
123 H LEU 15 HN LEU 15 29.180 -0.681 0.220
124 HA LEU 15 HA LEU 15 28.892 -2.601 -1.865
125 HB2 LEU 15 HB2 LEU 15 29.123 -0.149 -2.263
126 HB3 LEU 15 HB1 LEU 15 30.791 -0.243 -1.708
127 HG LEU 15 HG LEU 15 31.286 -1.876 -3.517
128 HD11 LEU 15 HD11 LEU 15 29.375 -1.739 -5.383
129 HD12 LEU 15 HD12 LEU 15 28.348 -1.544 -3.962
130 HD13 LEU 15 HD13 LEU 15 29.352 -2.982 -4.132
131 HD21 LEU 15 HD21 LEU 15 31.857 0.314 -4.127
132 HD22 LEU 15 HD22 LEU 15 30.177 0.848 -4.152
133 HD23 LEU 15 HD23 LEU 15 30.794 -0.180 -5.445
134 H LEU 16 HN LEU 16 31.365 -1.852 0.488
135 HA LEU 16 HA LEU 16 33.256 -3.734 -0.703
136 HB2 LEU 16 HB2 LEU 16 33.589 -2.232 1.890
137 HB3 LEU 16 HB1 LEU 16 34.845 -2.896 0.843
138 HG LEU 16 HG LEU 16 32.997 -0.582 0.198
139 HD11 LEU 16 HD11 LEU 16 35.014 -0.241 1.743
140 HD12 LEU 16 HD12 LEU 16 34.952 0.780 0.306
141 HD13 LEU 16 HD13 LEU 16 36.017 -0.625 0.343
142 HD21 LEU 16 HD21 LEU 16 34.922 -2.194 -1.468
143 HD22 LEU 16 HD22 LEU 16 34.613 -0.501 -1.850
144 HD23 LEU 16 HD23 LEU 16 33.288 -1.665 -1.869
145 H THR 17 HN THR 17 30.586 -3.978 1.161
146 HA THR 17 HA THR 17 31.636 -6.298 2.664
147 HB THR 17 HB THR 17 29.750 -4.128 3.451
148 HG1 THR 17 HG1 THR 17 31.710 -5.707 4.745
149 HG21 THR 17 HG21 THR 17 28.984 -5.732 5.316
150 HG22 THR 17 HG22 THR 17 29.519 -7.029 4.249
151 HG23 THR 17 HG23 THR 17 28.240 -5.930 3.732
152 H PHE 18 HN PHE 18 28.503 -4.997 1.549
153 HA PHE 18 HA PHE 18 27.033 -7.286 1.410
154 HB2 PHE 18 HB2 PHE 18 26.442 -4.842 0.715
155 HB3 PHE 18 HB1 PHE 18 26.925 -5.368 -0.899
156 HD1 PHE 18 HD2 PHE 18 24.568 -5.959 1.894
157 HD2 PHE 18 HD1 PHE 18 25.600 -6.944 -2.156
158 HE1 PHE 18 HE2 PHE 18 22.379 -7.087 1.610
159 HE2 PHE 18 HE1 PHE 18 23.412 -8.072 -2.441
160 HZ PHE 18 HZ PHE 18 21.799 -8.145 -0.557
161 H LEU 19 HN LEU 19 29.412 -6.165 -0.965
162 HA LEU 19 HA LEU 19 28.939 -8.347 -2.780
163 HB2 LEU 19 HB2 LEU 19 31.015 -6.179 -2.570
164 HB3 LEU 19 HB1 LEU 19 31.197 -7.487 -3.735
165 HG LEU 19 HG LEU 19 30.044 -5.434 -4.649
166 HD11 LEU 19 HD11 LEU 19 28.970 -6.792 -6.098
167 HD12 LEU 19 HD12 LEU 19 27.861 -7.357 -4.851
168 HD13 LEU 19 HD13 LEU 19 29.430 -8.134 -5.053
169 HD21 LEU 19 HD21 LEU 19 28.820 -5.054 -2.426
170 HD22 LEU 19 HD22 LEU 19 27.707 -6.315 -2.952
171 HD23 LEU 19 HD23 LEU 19 27.869 -4.835 -3.894
172 H ALA 20 HN ALA 20 30.866 -7.871 0.046
173 HA ALA 20 HA ALA 20 32.693 -10.052 -0.562
174 HB1 ALA 20 HB1 ALA 20 33.971 -9.030 0.967
175 HB2 ALA 20 HB2 ALA 20 32.738 -9.288 2.202
176 HB3 ALA 20 HB3 ALA 20 32.696 -7.835 1.203
177 H PHE 21 HN PHE 21 30.071 -9.398 1.752
178 HA PHE 21 HA PHE 21 30.097 -12.124 2.727
179 HB2 PHE 21 HB2 PHE 21 28.315 -9.746 3.272
180 HB3 PHE 21 HB1 PHE 21 28.069 -11.326 4.012
181 HD1 PHE 21 HD2 PHE 21 30.788 -8.809 3.427
182 HD2 PHE 21 HD1 PHE 21 29.143 -11.799 6.035
183 HE1 PHE 21 HE2 PHE 21 32.517 -8.280 5.124
184 HE2 PHE 21 HE1 PHE 21 30.871 -11.272 7.732
185 HZ PHE 21 HZ PHE 21 32.558 -9.512 7.275
186 H GLY 22 HN GLY 22 27.974 -10.090 0.735
187 HA2 GLY 22 HA2 GLY 22 25.880 -11.905 0.343
188 HA3 GLY 22 HA1 GLY 22 26.338 -10.640 -0.792
189 H PHE 23 HN PHE 23 28.899 -11.472 -1.497
190 HA PHE 23 HA PHE 23 28.382 -13.310 -3.529
191 HB2 PHE 23 HB2 PHE 23 30.281 -12.035 -3.915
192 HB3 PHE 23 HB1 PHE 23 30.870 -12.232 -2.261
193 HD1 PHE 23 HD2 PHE 23 30.234 -14.117 -5.424
194 HD2 PHE 23 HD1 PHE 23 32.401 -13.928 -1.719
195 HE1 PHE 23 HE2 PHE 23 31.615 -16.051 -6.130
196 HE2 PHE 23 HE1 PHE 23 33.780 -15.861 -2.427
197 HZ PHE 23 HZ PHE 23 33.388 -16.925 -4.635
198 H TRP 24 HN TRP 24 28.715 -13.818 -0.220
199 HA TRP 24 HA TRP 24 29.403 -16.662 -0.608
200 HB2 TRP 24 HB2 TRP 24 30.968 -15.626 0.893
201 HB3 TRP 24 HB1 TRP 24 29.662 -14.884 1.820
202 HD1 TRP 24 HD1 TRP 24 30.416 -18.492 0.647
203 HE1 TRP 24 HE1 TRP 24 30.006 -20.086 2.634
204 HE3 TRP 24 HE3 TRP 24 29.035 -15.116 4.199
205 HZ2 TRP 24 HZ2 TRP 24 29.196 -19.940 5.370
206 HZ3 TRP 24 HZ3 TRP 24 28.446 -15.862 6.492
207 HH2 TRP 24 HH2 TRP 24 28.525 -18.268 7.079
208 H LEU 25 HN LEU 25 27.728 -14.920 1.964
209 HA LEU 25 HA LEU 25 26.005 -16.548 3.023
210 HB2 LEU 25 HB2 LEU 25 25.649 -13.766 2.108
211 HB3 LEU 25 HB1 LEU 25 24.165 -14.628 2.523
212 HG LEU 25 HG LEU 25 26.579 -14.692 4.327
213 HD11 LEU 25 HD11 LEU 25 25.611 -12.825 5.588
214 HD12 LEU 25 HD12 LEU 25 24.294 -12.698 4.423
215 HD13 LEU 25 HD13 LEU 25 25.945 -12.321 3.932
216 HD21 LEU 25 HD21 LEU 25 24.156 -16.050 4.356
217 HD22 LEU 25 HD22 LEU 25 23.876 -14.712 5.469
218 HD23 LEU 25 HD23 LEU 25 25.217 -15.822 5.745
219 H PHE 26 HN PHE 26 25.072 -15.059 -0.103
220 HA PHE 26 HA PHE 26 22.885 -16.887 -0.413
221 HB2 PHE 26 HB2 PHE 26 24.099 -15.288 -2.651
222 HB3 PHE 26 HB1 PHE 26 22.417 -15.760 -2.420
223 HD1 PHE 26 HD2 PHE 26 21.574 -15.021 0.116
224 HD2 PHE 26 HD1 PHE 26 24.477 -13.012 -2.333
225 HE1 PHE 26 HE2 PHE 26 21.133 -12.906 1.327
226 HE2 PHE 26 HE1 PHE 26 24.037 -10.897 -1.115
227 HZ PHE 26 HZ PHE 26 22.371 -10.847 0.717
228 H LYS 27 HN LYS 27 25.931 -16.460 -2.223
229 HA LYS 27 HA LYS 27 25.600 -18.731 -3.837
230 HB2 LYS 27 HB2 LYS 27 28.290 -17.635 -3.004
231 HB3 LYS 27 HB1 LYS 27 27.872 -18.457 -4.503
232 HG2 LYS 27 HG2 LYS 27 26.565 -15.829 -3.759
233 HG3 LYS 27 HG1 LYS 27 28.121 -15.870 -4.563
234 HD2 LYS 27 HD2 LYS 27 25.804 -17.424 -5.686
235 HD3 LYS 27 HD1 LYS 27 25.970 -15.703 -6.010
236 HE2 LYS 27 HE2 LYS 27 27.708 -16.018 -7.428
237 HE3 LYS 27 HE1 LYS 27 28.462 -17.228 -6.391
238 HZ1 LYS 27 HZ1 LYS 27 26.412 -18.630 -7.168
239 HZ2 LYS 27 HZ2 LYS 27 27.814 -18.527 -8.122
240 HZ3 LYS 27 HZ3 LYS 27 26.458 -17.573 -8.495
241 H TYR 28 HN TYR 28 25.719 -18.813 -0.615
242 HA TYR 28 HA TYR 28 27.021 -21.469 -0.595
243 HB2 TYR 28 HB2 TYR 28 28.543 -20.608 0.828
244 HB3 TYR 28 HB1 TYR 28 27.606 -19.140 1.079
245 HD1 TYR 28 HD2 TYR 28 27.460 -22.799 1.892
246 HD2 TYR 28 HD1 TYR 28 26.657 -18.781 3.181
247 HE1 TYR 28 HE2 TYR 28 26.705 -23.654 4.097
248 HE2 TYR 28 HE1 TYR 28 25.903 -19.633 5.382
249 HH TYR 28 HH TYR 28 25.028 -22.673 5.971
250 H LEU 29 HN LEU 29 24.661 -19.316 0.967
251 HA LEU 29 HA LEU 29 23.341 -21.627 2.185
252 HB2 LEU 29 HB2 LEU 29 23.773 -19.160 3.168
253 HB3 LEU 29 HB1 LEU 29 22.182 -18.908 2.450
254 HG LEU 29 HG LEU 29 22.903 -21.111 4.403
255 HD11 LEU 29 HD11 LEU 29 21.251 -19.817 5.853
256 HD12 LEU 29 HD12 LEU 29 21.405 -18.501 4.690
257 HD13 LEU 29 HD13 LEU 29 22.817 -19.044 5.598
258 HD21 LEU 29 HD21 LEU 29 20.455 -20.451 2.796
259 HD22 LEU 29 HD22 LEU 29 20.258 -21.155 4.401
260 HD23 LEU 29 HD23 LEU 29 21.157 -22.027 3.160
261 H GLN 30 HN GLN 30 22.754 -19.140 -0.241
262 HA GLN 30 HA GLN 30 20.065 -20.114 -0.772
263 HB2 GLN 30 HB2 GLN 30 20.428 -17.737 -0.956
264 HB3 GLN 30 HB1 GLN 30 21.756 -17.981 -2.085
265 HG2 GLN 30 HG2 GLN 30 20.375 -18.537 -3.836
266 HG3 GLN 30 HG1 GLN 30 19.097 -19.138 -2.780
267 HE21 GLN 30 HE21 GLN 30 20.419 -16.075 -1.824
268 HE22 GLN 30 HE22 GLN 30 19.154 -15.110 -2.415
269 H LYS 31 HN LYS 31 23.203 -20.937 -1.696
270 HA LYS 31 HA LYS 31 22.243 -22.234 -4.178
271 HB2 LYS 31 HB2 LYS 31 24.813 -20.906 -3.453
272 HB3 LYS 31 HB1 LYS 31 24.887 -22.310 -4.517
273 HG2 LYS 31 HG2 LYS 31 24.672 -20.129 -5.744
274 HG3 LYS 31 HG1 LYS 31 23.374 -21.269 -6.097
275 HD2 LYS 31 HD2 LYS 31 21.796 -20.057 -4.906
276 HD3 LYS 31 HD1 LYS 31 23.000 -19.328 -3.844
277 HE2 LYS 31 HE2 LYS 31 23.500 -17.654 -5.342
278 HE3 LYS 31 HE1 LYS 31 23.164 -18.663 -6.749
279 HZ1 LYS 31 HZ1 LYS 31 21.326 -17.379 -6.805
280 HZ2 LYS 31 HZ2 LYS 31 21.348 -17.052 -5.138
281 HZ3 LYS 31 HZ3 LYS 31 20.747 -18.536 -5.708
282 H LYS 32 HN LYS 32 21.465 -23.966 -2.722
283 HA LYS 32 HA LYS 32 23.579 -25.946 -2.351
284 HB2 LYS 32 HB2 LYS 32 22.380 -26.489 -0.069
285 HB3 LYS 32 HB1 LYS 32 23.638 -25.257 -0.143
286 HG2 LYS 32 HG2 LYS 32 21.630 -24.472 1.097
287 HG3 LYS 32 HG1 LYS 32 21.947 -23.497 -0.338
288 HD2 LYS 32 HD2 LYS 32 20.188 -24.520 -1.558
289 HD3 LYS 32 HD1 LYS 32 20.067 -25.859 -0.418
290 HE2 LYS 32 HE2 LYS 32 19.307 -24.259 1.334
291 HE3 LYS 32 HE1 LYS 32 19.344 -22.967 0.133
292 HZ1 LYS 32 HZ1 LYS 32 17.129 -24.009 0.460
293 HZ2 LYS 32 HZ2 LYS 32 17.757 -25.454 -0.174
294 HZ3 LYS 32 HZ3 LYS 32 17.685 -24.059 -1.141
Start of MODEL 42
1 H1 LYS 1 HT1 LYS 1 24.468 16.205 -0.460
2 H2 LYS 1 HT2 LYS 1 23.697 17.706 -0.264
3 H3 LYS 1 HT3 LYS 1 24.709 17.435 -1.601
4 HA LYS 1 HA LYS 1 21.981 16.471 -1.100
5 HB2 LYS 1 HB2 LYS 1 23.526 17.719 -3.375
6 HB3 LYS 1 HB1 LYS 1 21.955 16.959 -3.635
7 HG2 LYS 1 HG2 LYS 1 20.925 18.449 -1.990
8 HG3 LYS 1 HG1 LYS 1 22.494 19.174 -1.637
9 HD2 LYS 1 HD2 LYS 1 22.656 20.100 -3.849
10 HD3 LYS 1 HD1 LYS 1 21.257 19.178 -4.400
11 HE2 LYS 1 HE2 LYS 1 20.646 20.797 -2.048
12 HE3 LYS 1 HE1 LYS 1 21.204 21.777 -3.403
13 HZ1 LYS 1 HZ1 LYS 1 18.697 21.013 -3.142
14 HZ2 LYS 1 HZ2 LYS 1 19.282 19.666 -3.997
15 HZ3 LYS 1 HZ3 LYS 1 19.426 21.224 -4.660
16 H LYS 2 HN LYS 2 23.148 14.375 -0.392
17 HA LYS 2 HA LYS 2 23.140 12.582 -2.700
18 HB2 LYS 2 HB2 LYS 2 25.512 13.236 -2.432
19 HB3 LYS 2 HB1 LYS 2 25.464 12.677 -0.760
20 HG2 LYS 2 HG2 LYS 2 24.988 10.406 -1.471
21 HG3 LYS 2 HG1 LYS 2 24.833 10.924 -3.151
22 HD2 LYS 2 HD2 LYS 2 27.047 9.918 -2.755
23 HD3 LYS 2 HD1 LYS 2 27.200 11.630 -3.153
24 HE2 LYS 2 HE2 LYS 2 27.759 12.229 -0.973
25 HE3 LYS 2 HE1 LYS 2 26.962 10.820 -0.273
26 HZ1 LYS 2 HZ1 LYS 2 28.701 9.433 -1.298
27 HZ2 LYS 2 HZ2 LYS 2 29.321 10.530 -0.159
28 HZ3 LYS 2 HZ3 LYS 2 29.496 10.838 -1.820
29 H HIS 3 HN HIS 3 21.253 11.685 -1.861
30 HA HIS 3 HA HIS 3 19.907 10.495 -0.399
31 HB2 HIS 3 HB2 HIS 3 21.416 8.804 -1.479
32 HB3 HIS 3 HB1 HIS 3 22.465 8.915 -0.065
33 HD2 HIS 3 HD2 HIS 3 21.597 6.130 0.413
34 HE1 HIS 3 HE1 HIS 3 17.826 7.318 1.892
35 HE2 HIS 3 HE2 HIS 3 19.450 5.376 1.694
36 H THR 4 HN THR 4 21.817 8.952 1.692
37 HA THR 4 HA THR 4 21.598 11.061 3.760
38 HB THR 4 HB THR 4 19.988 9.333 4.235
39 HG1 THR 4 HG1 THR 4 22.204 9.721 5.751
40 HG21 THR 4 HG21 THR 4 20.318 7.236 3.504
41 HG22 THR 4 HG22 THR 4 21.633 7.042 4.659
42 HG23 THR 4 HG23 THR 4 21.966 7.648 3.036
43 H ILE 5 HN ILE 5 22.910 8.314 5.032
44 HA ILE 5 HA ILE 5 25.656 9.348 4.698
45 HB ILE 5 HB ILE 5 26.029 7.939 6.829
46 HG12 ILE 5 HG12 ILE 5 23.208 8.436 7.533
47 HG13 ILE 5 HG11 ILE 5 23.444 7.152 6.347
48 HG21 ILE 5 HG21 ILE 5 26.167 10.283 7.041
49 HG22 ILE 5 HG22 ILE 5 24.924 9.837 8.210
50 HG23 ILE 5 HG23 ILE 5 24.465 10.510 6.645
51 HD11 ILE 5 HD11 ILE 5 24.845 5.912 7.800
52 HD12 ILE 5 HD12 ILE 5 23.522 6.470 8.825
53 HD13 ILE 5 HD13 ILE 5 25.083 7.289 8.874
54 H TRP 6 HN TRP 6 23.558 6.660 4.192
55 HA TRP 6 HA TRP 6 25.171 4.454 4.176
56 HB2 TRP 6 HB2 TRP 6 22.749 5.256 2.840
57 HB3 TRP 6 HB1 TRP 6 23.757 4.317 1.740
58 HD1 TRP 6 HD1 TRP 6 22.752 1.970 1.831
59 HE1 TRP 6 HE1 TRP 6 22.229 0.273 3.693
60 HE3 TRP 6 HE3 TRP 6 23.671 4.864 5.926
61 HZ2 TRP 6 HZ2 TRP 6 22.203 0.161 6.546
62 HZ3 TRP 6 HZ3 TRP 6 23.387 3.939 8.210
63 HH2 TRP 6 HH2 TRP 6 22.656 1.591 8.525
64 H GLU 7 HN GLU 7 24.770 6.654 1.389
65 HA GLU 7 HA GLU 7 26.744 5.506 -0.228
66 HB2 GLU 7 HB2 GLU 7 25.122 7.893 -0.211
67 HB3 GLU 7 HB1 GLU 7 26.750 8.254 -0.784
68 HG2 GLU 7 HG2 GLU 7 25.065 5.958 -1.814
69 HG3 GLU 7 HG1 GLU 7 25.168 7.529 -2.604
70 H VAL 8 HN VAL 8 27.147 7.030 2.716
71 HA VAL 8 HA VAL 8 29.877 7.935 2.073
72 HB VAL 8 HB VAL 8 28.427 8.450 4.664
73 HG11 VAL 8 HG11 VAL 8 30.976 8.796 4.231
74 HG12 VAL 8 HG12 VAL 8 30.063 10.098 4.994
75 HG13 VAL 8 HG13 VAL 8 30.457 10.186 3.277
76 HG21 VAL 8 HG21 VAL 8 28.406 10.134 2.136
77 HG22 VAL 8 HG22 VAL 8 27.730 10.614 3.692
78 HG23 VAL 8 HG23 VAL 8 27.016 9.273 2.797
79 H ILE 9 HN ILE 9 28.023 5.811 4.204
80 HA ILE 9 HA ILE 9 30.551 4.602 5.123
81 HB ILE 9 HB ILE 9 29.568 5.317 7.073
82 HG12 ILE 9 HG12 ILE 9 29.549 2.616 6.781
83 HG13 ILE 9 HG11 ILE 9 29.109 3.437 8.264
84 HG21 ILE 9 HG21 ILE 9 26.919 4.831 5.731
85 HG22 ILE 9 HG22 ILE 9 27.639 6.361 6.228
86 HG23 ILE 9 HG23 ILE 9 27.061 5.233 7.446
87 HD11 ILE 9 HD11 ILE 9 27.041 2.799 6.153
88 HD12 ILE 9 HD12 ILE 9 26.782 3.228 7.838
89 HD13 ILE 9 HD13 ILE 9 27.468 1.659 7.423
90 H ALA 10 HN ALA 10 27.222 3.883 4.114
91 HA ALA 10 HA ALA 10 27.655 1.061 3.920
92 HB1 ALA 10 HB1 ALA 10 25.567 2.744 2.517
93 HB2 ALA 10 HB2 ALA 10 25.410 2.123 4.161
94 HB3 ALA 10 HB3 ALA 10 25.505 1.004 2.801
95 H GLY 11 HN GLY 11 27.020 3.418 1.304
96 HA2 GLY 11 HA2 GLY 11 27.825 1.829 -0.820
97 HA3 GLY 11 HA1 GLY 11 27.925 3.587 -0.813
98 H LEU 12 HN LEU 12 29.638 3.047 1.745
99 HA LEU 12 HA LEU 12 32.170 2.831 0.274
100 HB2 LEU 12 HB2 LEU 12 31.611 4.889 1.698
101 HB3 LEU 12 HB1 LEU 12 31.840 3.837 3.096
102 HG LEU 12 HG LEU 12 34.073 3.236 1.673
103 HD11 LEU 12 HD11 LEU 12 35.002 5.271 0.725
104 HD12 LEU 12 HD12 LEU 12 33.581 6.194 1.216
105 HD13 LEU 12 HD13 LEU 12 33.443 4.962 -0.039
106 HD21 LEU 12 HD21 LEU 12 34.002 3.873 4.041
107 HD22 LEU 12 HD22 LEU 12 33.689 5.551 3.599
108 HD23 LEU 12 HD23 LEU 12 35.242 4.811 3.208
109 H VAL 13 HN VAL 13 30.216 1.353 2.747
110 HA VAL 13 HA VAL 13 32.404 -0.557 3.330
111 HB VAL 13 HB VAL 13 29.982 0.153 5.000
112 HG11 VAL 13 HG11 VAL 13 31.314 -1.314 6.678
113 HG12 VAL 13 HG12 VAL 13 32.119 -1.958 5.246
114 HG13 VAL 13 HG13 VAL 13 30.372 -2.130 5.429
115 HG21 VAL 13 HG21 VAL 13 32.113 1.691 4.806
116 HG22 VAL 13 HG22 VAL 13 32.868 0.447 5.801
117 HG23 VAL 13 HG23 VAL 13 31.457 1.319 6.400
118 H ALA 14 HN ALA 14 28.849 -0.412 3.003
119 HA ALA 14 HA ALA 14 28.237 -3.072 2.898
120 HB1 ALA 14 HB1 ALA 14 26.859 -1.799 0.725
121 HB2 ALA 14 HB2 ALA 14 26.986 -0.666 2.070
122 HB3 ALA 14 HB3 ALA 14 26.237 -2.243 2.314
123 H LEU 15 HN LEU 15 29.410 -1.092 0.178
124 HA LEU 15 HA LEU 15 29.474 -3.187 -1.720
125 HB2 LEU 15 HB2 LEU 15 31.239 -0.727 -1.599
126 HB3 LEU 15 HB1 LEU 15 30.893 -1.703 -3.030
127 HG LEU 15 HG LEU 15 28.832 -0.193 -1.405
128 HD11 LEU 15 HD11 LEU 15 28.974 1.541 -2.897
129 HD12 LEU 15 HD12 LEU 15 29.375 0.479 -4.247
130 HD13 LEU 15 HD13 LEU 15 30.622 0.947 -3.093
131 HD21 LEU 15 HD21 LEU 15 27.551 -0.739 -3.664
132 HD22 LEU 15 HD22 LEU 15 27.607 -1.919 -2.356
133 HD23 LEU 15 HD23 LEU 15 28.698 -2.076 -3.732
134 H LEU 16 HN LEU 16 31.641 -2.155 0.790
135 HA LEU 16 HA LEU 16 33.711 -4.043 -0.076
136 HB2 LEU 16 HB2 LEU 16 33.822 -2.209 2.313
137 HB3 LEU 16 HB1 LEU 16 35.167 -2.943 1.437
138 HG LEU 16 HG LEU 16 33.278 -0.814 0.399
139 HD11 LEU 16 HD11 LEU 16 36.285 -0.690 0.631
140 HD12 LEU 16 HD12 LEU 16 35.243 -0.243 1.982
141 HD13 LEU 16 HD13 LEU 16 35.141 0.642 0.461
142 HD21 LEU 16 HD21 LEU 16 33.707 -2.164 -1.482
143 HD22 LEU 16 HD22 LEU 16 35.349 -2.537 -0.952
144 HD23 LEU 16 HD23 LEU 16 34.966 -0.931 -1.574
145 H THR 17 HN THR 17 30.928 -4.333 1.457
146 HA THR 17 HA THR 17 31.905 -6.506 3.170
147 HB THR 17 HB THR 17 30.144 -4.225 4.064
148 HG1 THR 17 HG1 THR 17 32.670 -4.757 4.316
149 HG21 THR 17 HG21 THR 17 29.988 -5.674 6.198
150 HG22 THR 17 HG22 THR 17 30.425 -7.023 5.148
151 HG23 THR 17 HG23 THR 17 28.949 -6.106 4.840
152 H PHE 18 HN PHE 18 28.741 -4.946 2.756
153 HA PHE 18 HA PHE 18 27.156 -7.170 2.698
154 HB2 PHE 18 HB2 PHE 18 26.550 -4.644 2.504
155 HB3 PHE 18 HB1 PHE 18 26.615 -4.934 0.767
156 HD1 PHE 18 HD1 PHE 18 25.228 -6.511 3.876
157 HD2 PHE 18 HD2 PHE 18 24.658 -5.653 -0.293
158 HE1 PHE 18 HE1 PHE 18 22.973 -7.535 3.974
159 HE2 PHE 18 HE2 PHE 18 22.403 -6.677 -0.196
160 HZ PHE 18 HZ PHE 18 21.559 -7.618 1.938
161 H LEU 19 HN LEU 19 28.940 -5.773 -0.030
162 HA LEU 19 HA LEU 19 27.962 -7.774 -1.883
163 HB2 LEU 19 HB2 LEU 19 29.887 -5.474 -2.040
164 HB3 LEU 19 HB1 LEU 19 29.848 -6.673 -3.328
165 HG LEU 19 HG LEU 19 28.350 -4.669 -3.712
166 HD11 LEU 19 HD11 LEU 19 26.325 -6.746 -3.571
167 HD12 LEU 19 HD12 LEU 19 27.843 -7.397 -4.185
168 HD13 LEU 19 HD13 LEU 19 27.082 -6.027 -4.990
169 HD21 LEU 19 HD21 LEU 19 26.420 -4.338 -2.372
170 HD22 LEU 19 HD22 LEU 19 27.725 -4.610 -1.221
171 HD23 LEU 19 HD23 LEU 19 26.594 -5.908 -1.589
172 H ALA 20 HN ALA 20 30.426 -7.606 0.443
173 HA ALA 20 HA ALA 20 32.208 -9.467 -0.925
174 HB1 ALA 20 HB1 ALA 20 32.382 -8.531 1.942
175 HB2 ALA 20 HB2 ALA 20 33.006 -7.588 0.591
176 HB3 ALA 20 HB3 ALA 20 33.674 -9.183 0.936
177 H PHE 21 HN PHE 21 30.119 -9.430 1.959
178 HA PHE 21 HA PHE 21 30.503 -12.285 2.368
179 HB2 PHE 21 HB2 PHE 21 28.821 -10.214 3.791
180 HB3 PHE 21 HB1 PHE 21 28.857 -11.920 4.240
181 HD1 PHE 21 HD1 PHE 21 30.971 -8.884 3.828
182 HD2 PHE 21 HD2 PHE 21 30.668 -12.833 5.490
183 HE1 PHE 21 HE1 PHE 21 33.056 -8.503 5.113
184 HE2 PHE 21 HE2 PHE 21 32.753 -12.452 6.776
185 HZ PHE 21 HZ PHE 21 33.946 -10.286 6.587
186 H GLY 22 HN GLY 22 27.978 -10.086 1.240
187 HA2 GLY 22 HA2 GLY 22 25.863 -11.930 1.057
188 HA3 GLY 22 HA1 GLY 22 26.020 -10.466 0.091
189 H PHE 23 HN PHE 23 28.287 -10.949 -1.374
190 HA PHE 23 HA PHE 23 27.364 -12.499 -3.492
191 HB2 PHE 23 HB2 PHE 23 29.038 -11.013 -4.101
192 HB3 PHE 23 HB1 PHE 23 30.040 -11.415 -2.704
193 HD1 PHE 23 HD2 PHE 23 28.655 -12.889 -5.851
194 HD2 PHE 23 HD1 PHE 23 31.779 -12.968 -2.904
195 HE1 PHE 23 HE2 PHE 23 29.891 -14.559 -7.204
196 HE2 PHE 23 HE1 PHE 23 33.013 -14.636 -4.255
197 HZ PHE 23 HZ PHE 23 32.069 -15.435 -6.409
198 H TRP 24 HN TRP 24 28.514 -13.489 -0.502
199 HA TRP 24 HA TRP 24 29.246 -16.162 -1.521
200 HB2 TRP 24 HB2 TRP 24 31.052 -15.200 -0.244
201 HB3 TRP 24 HB1 TRP 24 29.954 -14.778 1.072
202 HD1 TRP 24 HD1 TRP 24 30.728 -18.016 -0.894
203 HE1 TRP 24 HE1 TRP 24 30.904 -19.960 0.796
204 HE3 TRP 24 HE3 TRP 24 29.847 -15.488 3.437
205 HZ2 TRP 24 HZ2 TRP 24 30.696 -20.378 3.613
206 HZ3 TRP 24 HZ3 TRP 24 29.838 -16.678 5.615
207 HH2 TRP 24 HH2 TRP 24 30.262 -19.117 5.708
208 H LEU 25 HN LEU 25 28.118 -15.000 1.621
209 HA LEU 25 HA LEU 25 26.781 -16.962 2.710
210 HB2 LEU 25 HB2 LEU 25 26.077 -14.102 2.455
211 HB3 LEU 25 HB1 LEU 25 24.790 -15.163 3.029
212 HG LEU 25 HG LEU 25 27.567 -15.311 4.179
213 HD11 LEU 25 HD11 LEU 25 26.765 -12.971 4.391
214 HD12 LEU 25 HD12 LEU 25 26.850 -13.777 5.957
215 HD13 LEU 25 HD13 LEU 25 25.292 -13.563 5.160
216 HD21 LEU 25 HD21 LEU 25 25.211 -15.758 5.876
217 HD22 LEU 25 HD22 LEU 25 26.643 -16.762 5.660
218 HD23 LEU 25 HD23 LEU 25 25.310 -16.873 4.514
219 H PHE 26 HN PHE 26 25.071 -15.000 0.252
220 HA PHE 26 HA PHE 26 22.949 -16.896 0.079
221 HB2 PHE 26 HB2 PHE 26 23.578 -14.831 -2.016
222 HB3 PHE 26 HB1 PHE 26 22.005 -15.480 -1.554
223 HD1 PHE 26 HD2 PHE 26 21.654 -15.300 1.174
224 HD2 PHE 26 HD1 PHE 26 23.954 -12.644 -1.297
225 HE1 PHE 26 HE2 PHE 26 21.398 -13.510 2.862
226 HE2 PHE 26 HE1 PHE 26 23.702 -10.852 0.397
227 HZ PHE 26 HZ PHE 26 22.427 -11.287 2.477
228 H LYS 27 HN LYS 27 25.601 -16.034 -2.151
229 HA LYS 27 HA LYS 27 24.918 -18.068 -4.021
230 HB2 LYS 27 HB2 LYS 27 27.668 -16.853 -3.765
231 HB3 LYS 27 HB1 LYS 27 26.870 -17.454 -5.213
232 HG2 LYS 27 HG2 LYS 27 25.732 -15.103 -3.682
233 HG3 LYS 27 HG1 LYS 27 26.999 -14.881 -4.873
234 HD2 LYS 27 HD2 LYS 27 24.547 -16.452 -5.603
235 HD3 LYS 27 HD1 LYS 27 24.504 -14.691 -5.617
236 HE2 LYS 27 HE2 LYS 27 25.844 -14.546 -7.452
237 HE3 LYS 27 HE1 LYS 27 26.866 -15.889 -6.942
238 HZ1 LYS 27 HZ1 LYS 27 25.797 -16.877 -8.656
239 HZ2 LYS 27 HZ2 LYS 27 24.404 -15.916 -8.509
240 HZ3 LYS 27 HZ3 LYS 27 24.660 -17.215 -7.444
241 H TYR 28 HN TYR 28 25.380 -18.887 -1.156
242 HA TYR 28 HA TYR 28 27.001 -21.227 -1.801
243 HB2 TYR 28 HB2 TYR 28 28.786 -20.423 -0.682
244 HB3 TYR 28 HB1 TYR 28 27.857 -19.112 0.035
245 HD1 TYR 28 HD2 TYR 28 28.101 -22.853 0.239
246 HD2 TYR 28 HD1 TYR 28 27.548 -19.146 2.341
247 HE1 TYR 28 HE2 TYR 28 28.027 -24.084 2.390
248 HE2 TYR 28 HE1 TYR 28 27.474 -20.378 4.493
249 HH TYR 28 HH TYR 28 27.892 -23.921 4.596
250 H LEU 29 HN LEU 29 25.056 -19.559 0.677
251 HA LEU 29 HA LEU 29 24.180 -22.139 1.735
252 HB2 LEU 29 HB2 LEU 29 24.623 -19.661 2.899
253 HB3 LEU 29 HB1 LEU 29 22.865 -19.782 2.834
254 HG LEU 29 HG LEU 29 24.740 -21.862 3.995
255 HD11 LEU 29 HD11 LEU 29 22.883 -20.939 5.901
256 HD12 LEU 29 HD12 LEU 29 23.486 -19.493 5.090
257 HD13 LEU 29 HD13 LEU 29 24.614 -20.608 5.861
258 HD21 LEU 29 HD21 LEU 29 21.875 -21.864 3.246
259 HD22 LEU 29 HD22 LEU 29 22.223 -22.477 4.862
260 HD23 LEU 29 HD23 LEU 29 22.984 -23.218 3.454
261 H GLN 30 HN GLN 30 22.793 -19.276 0.167
262 HA GLN 30 HA GLN 30 20.131 -20.371 0.096
263 HB2 GLN 30 HB2 GLN 30 20.269 -18.004 0.114
264 HB3 GLN 30 HB1 GLN 30 21.445 -17.988 -1.191
265 HG2 GLN 30 HG2 GLN 30 19.861 -18.522 -2.821
266 HG3 GLN 30 HG1 GLN 30 18.700 -19.115 -1.629
267 HE21 GLN 30 HE21 GLN 30 20.174 -16.248 -0.501
268 HE22 GLN 30 HE22 GLN 30 18.954 -15.165 -0.963
269 H LYS 31 HN LYS 31 22.895 -21.156 -1.519
270 HA LYS 31 HA LYS 31 21.460 -21.966 -3.973
271 HB2 LYS 31 HB2 LYS 31 24.159 -20.934 -3.458
272 HB3 LYS 31 HB1 LYS 31 24.138 -22.376 -4.472
273 HG2 LYS 31 HG2 LYS 31 23.972 -20.386 -5.879
274 HG3 LYS 31 HG1 LYS 31 22.454 -21.281 -5.947
275 HD2 LYS 31 HD2 LYS 31 22.258 -19.495 -3.742
276 HD3 LYS 31 HD1 LYS 31 22.904 -18.569 -5.094
277 HE2 LYS 31 HE2 LYS 31 21.050 -19.513 -6.526
278 HE3 LYS 31 HE1 LYS 31 20.355 -20.204 -5.059
279 HZ1 LYS 31 HZ1 LYS 31 20.495 -17.429 -5.924
280 HZ2 LYS 31 HZ2 LYS 31 20.725 -17.712 -4.264
281 HZ3 LYS 31 HZ3 LYS 31 19.298 -18.227 -5.027
282 H LYS 32 HN LYS 32 23.976 -23.054 -1.698
283 HA LYS 32 HA LYS 32 24.731 -25.185 -1.207
284 HB2 LYS 32 HB2 LYS 32 22.000 -24.846 -0.506
285 HB3 LYS 32 HB1 LYS 32 22.188 -26.497 -1.098
286 HG2 LYS 32 HG2 LYS 32 24.162 -26.762 0.425
287 HG3 LYS 32 HG1 LYS 32 23.815 -25.163 1.085
288 HD2 LYS 32 HD2 LYS 32 21.909 -27.525 1.101
289 HD3 LYS 32 HD1 LYS 32 22.829 -26.945 2.490
290 HE2 LYS 32 HE2 LYS 32 21.683 -24.639 1.903
291 HE3 LYS 32 HE1 LYS 32 20.499 -25.670 1.097
292 HZ1 LYS 32 HZ1 LYS 32 21.167 -26.701 3.655
293 HZ2 LYS 32 HZ2 LYS 32 19.647 -26.255 3.039
294 HZ3 LYS 32 HZ3 LYS 32 20.638 -25.095 3.787
Start of MODEL 43
1 H1 LYS 1 HT1 LYS 1 19.212 16.401 -4.817
2 H2 LYS 1 HT2 LYS 1 18.291 17.306 -3.712
3 H3 LYS 1 HT3 LYS 1 17.671 15.864 -4.357
4 HA LYS 1 HA LYS 1 19.937 16.161 -2.467
5 HB2 LYS 1 HB2 LYS 1 17.087 15.369 -2.297
6 HB3 LYS 1 HB1 LYS 1 18.215 14.338 -1.415
7 HG2 LYS 1 HG2 LYS 1 18.997 16.129 -0.085
8 HG3 LYS 1 HG1 LYS 1 18.334 17.343 -1.179
9 HD2 LYS 1 HD2 LYS 1 16.989 17.050 0.922
10 HD3 LYS 1 HD1 LYS 1 16.066 16.757 -0.553
11 HE2 LYS 1 HE2 LYS 1 16.080 14.426 -0.248
12 HE3 LYS 1 HE1 LYS 1 17.456 14.486 0.856
13 HZ1 LYS 1 HZ1 LYS 1 14.811 15.675 1.475
14 HZ2 LYS 1 HZ2 LYS 1 16.114 15.441 2.538
15 HZ3 LYS 1 HZ3 LYS 1 15.256 14.105 1.935
16 H LYS 2 HN LYS 2 20.983 14.164 -1.898
17 HA LYS 2 HA LYS 2 21.043 12.261 -4.146
18 HB2 LYS 2 HB2 LYS 2 23.167 13.396 -3.473
19 HB3 LYS 2 HB1 LYS 2 23.041 12.608 -1.900
20 HG2 LYS 2 HG2 LYS 2 22.667 10.592 -3.867
21 HG3 LYS 2 HG1 LYS 2 24.076 11.536 -4.354
22 HD2 LYS 2 HD2 LYS 2 23.648 10.351 -1.595
23 HD3 LYS 2 HD1 LYS 2 24.693 9.665 -2.839
24 HE2 LYS 2 HE2 LYS 2 25.395 12.402 -2.611
25 HE3 LYS 2 HE1 LYS 2 25.277 11.773 -0.968
26 HZ1 LYS 2 HZ1 LYS 2 27.333 11.028 -1.372
27 HZ2 LYS 2 HZ2 LYS 2 27.167 11.137 -3.058
28 HZ3 LYS 2 HZ3 LYS 2 26.558 9.786 -2.227
29 H HIS 3 HN HIS 3 21.721 11.970 -0.657
30 HA HIS 3 HA HIS 3 19.610 10.054 -0.249
31 HB2 HIS 3 HB2 HIS 3 21.447 8.750 -1.440
32 HB3 HIS 3 HB1 HIS 3 22.432 9.008 -0.000
33 HD2 HIS 3 HD2 HIS 3 22.122 6.103 0.403
34 HE1 HIS 3 HE1 HIS 3 18.142 6.469 1.761
35 HE2 HIS 3 HE2 HIS 3 20.130 4.898 1.586
36 H THR 4 HN THR 4 21.799 8.893 1.746
37 HA THR 4 HA THR 4 21.500 11.037 3.766
38 HB THR 4 HB THR 4 19.934 9.333 4.379
39 HG1 THR 4 HG1 THR 4 21.929 8.399 5.990
40 HG21 THR 4 HG21 THR 4 21.894 7.603 3.159
41 HG22 THR 4 HG22 THR 4 20.223 7.248 3.595
42 HG23 THR 4 HG23 THR 4 21.509 7.020 4.778
43 H ILE 5 HN ILE 5 22.903 8.269 4.995
44 HA ILE 5 HA ILE 5 25.618 9.371 4.598
45 HB ILE 5 HB ILE 5 26.074 8.036 6.756
46 HG12 ILE 5 HG12 ILE 5 23.273 8.481 7.546
47 HG13 ILE 5 HG11 ILE 5 23.480 7.193 6.359
48 HG21 ILE 5 HG21 ILE 5 26.177 10.363 6.968
49 HG22 ILE 5 HG22 ILE 5 24.887 9.951 8.099
50 HG23 ILE 5 HG23 ILE 5 24.491 10.579 6.498
51 HD11 ILE 5 HD11 ILE 5 24.974 5.995 7.763
52 HD12 ILE 5 HD12 ILE 5 23.664 6.511 8.824
53 HD13 ILE 5 HD13 ILE 5 25.201 7.378 8.833
54 H TRP 6 HN TRP 6 23.546 6.624 4.278
55 HA TRP 6 HA TRP 6 25.191 4.447 4.257
56 HB2 TRP 6 HB2 TRP 6 22.704 5.179 2.995
57 HB3 TRP 6 HB1 TRP 6 23.678 4.205 1.892
58 HD1 TRP 6 HD1 TRP 6 22.677 1.864 2.111
59 HE1 TRP 6 HE1 TRP 6 22.244 0.232 4.053
60 HE3 TRP 6 HE3 TRP 6 23.774 4.898 6.058
61 HZ2 TRP 6 HZ2 TRP 6 22.349 0.217 6.906
62 HZ3 TRP 6 HZ3 TRP 6 23.599 4.053 8.383
63 HH2 TRP 6 HH2 TRP 6 22.889 1.716 8.812
64 H GLU 7 HN GLU 7 24.631 6.535 1.413
65 HA GLU 7 HA GLU 7 26.551 5.369 -0.247
66 HB2 GLU 7 HB2 GLU 7 24.880 7.704 -0.252
67 HB3 GLU 7 HB1 GLU 7 26.487 8.124 -0.844
68 HG2 GLU 7 HG2 GLU 7 24.861 5.769 -1.840
69 HG3 GLU 7 HG1 GLU 7 24.943 7.331 -2.653
70 H VAL 8 HN VAL 8 27.043 7.064 2.613
71 HA VAL 8 HA VAL 8 29.738 7.949 1.826
72 HB VAL 8 HB VAL 8 28.389 8.539 4.455
73 HG11 VAL 8 HG11 VAL 8 30.134 9.965 4.791
74 HG12 VAL 8 HG12 VAL 8 30.186 10.455 3.099
75 HG13 VAL 8 HG13 VAL 8 30.949 8.947 3.604
76 HG21 VAL 8 HG21 VAL 8 28.238 10.117 1.865
77 HG22 VAL 8 HG22 VAL 8 27.635 10.663 3.430
78 HG23 VAL 8 HG23 VAL 8 26.890 9.278 2.634
79 H ILE 9 HN ILE 9 28.013 5.868 4.106
80 HA ILE 9 HA ILE 9 30.600 4.733 4.952
81 HB ILE 9 HB ILE 9 29.699 5.523 6.917
82 HG12 ILE 9 HG12 ILE 9 29.733 2.811 6.736
83 HG13 ILE 9 HG11 ILE 9 29.347 3.684 8.203
84 HG21 ILE 9 HG21 ILE 9 27.217 5.395 7.419
85 HG22 ILE 9 HG22 ILE 9 26.998 4.916 5.732
86 HG23 ILE 9 HG23 ILE 9 27.701 6.483 6.126
87 HD11 ILE 9 HD11 ILE 9 27.009 3.406 7.911
88 HD12 ILE 9 HD12 ILE 9 27.709 1.836 7.524
89 HD13 ILE 9 HD13 ILE 9 27.192 2.909 6.232
90 H ALA 10 HN ALA 10 27.236 3.922 4.143
91 HA ALA 10 HA ALA 10 27.710 1.105 4.043
92 HB1 ALA 10 HB1 ALA 10 25.529 2.700 2.682
93 HB2 ALA 10 HB2 ALA 10 25.460 2.124 4.347
94 HB3 ALA 10 HB3 ALA 10 25.515 0.969 3.016
95 H GLY 11 HN GLY 11 26.916 3.338 1.364
96 HA2 GLY 11 HA2 GLY 11 27.649 1.675 -0.731
97 HA3 GLY 11 HA1 GLY 11 27.728 3.435 -0.798
98 H LEU 12 HN LEU 12 29.562 3.025 1.697
99 HA LEU 12 HA LEU 12 32.026 2.771 0.122
100 HB2 LEU 12 HB2 LEU 12 31.532 4.881 1.478
101 HB3 LEU 12 HB1 LEU 12 31.795 3.890 2.913
102 HG LEU 12 HG LEU 12 33.979 3.226 1.404
103 HD11 LEU 12 HD11 LEU 12 33.382 4.930 -0.294
104 HD12 LEU 12 HD12 LEU 12 34.904 5.321 0.507
105 HD13 LEU 12 HD13 LEU 12 33.428 6.175 0.953
106 HD21 LEU 12 HD21 LEU 12 33.996 3.840 3.780
107 HD22 LEU 12 HD22 LEU 12 33.683 5.525 3.365
108 HD23 LEU 12 HD23 LEU 12 35.214 4.775 2.913
109 H VAL 13 HN VAL 13 30.206 1.377 2.742
110 HA VAL 13 HA VAL 13 32.438 -0.489 3.302
111 HB VAL 13 HB VAL 13 30.073 0.272 5.032
112 HG11 VAL 13 HG11 VAL 13 31.776 -1.135 6.622
113 HG12 VAL 13 HG12 VAL 13 31.989 -1.984 5.092
114 HG13 VAL 13 HG13 VAL 13 30.384 -1.849 5.810
115 HG21 VAL 13 HG21 VAL 13 32.177 1.810 4.715
116 HG22 VAL 13 HG22 VAL 13 32.994 0.593 5.696
117 HG23 VAL 13 HG23 VAL 13 31.609 1.468 6.348
118 H ALA 14 HN ALA 14 28.869 -0.396 3.109
119 HA ALA 14 HA ALA 14 28.283 -3.062 3.127
120 HB1 ALA 14 HB1 ALA 14 26.774 -1.966 0.980
121 HB2 ALA 14 HB2 ALA 14 27.003 -0.687 2.170
122 HB3 ALA 14 HB3 ALA 14 26.263 -2.213 2.649
123 H LEU 15 HN LEU 15 29.337 -1.179 0.291
124 HA LEU 15 HA LEU 15 29.351 -3.344 -1.528
125 HB2 LEU 15 HB2 LEU 15 31.109 -0.877 -1.565
126 HB3 LEU 15 HB1 LEU 15 30.713 -1.908 -2.944
127 HG LEU 15 HG LEU 15 28.714 -0.322 -1.310
128 HD11 LEU 15 HD11 LEU 15 30.430 0.749 -3.091
129 HD12 LEU 15 HD12 LEU 15 28.772 1.321 -2.916
130 HD13 LEU 15 HD13 LEU 15 29.183 0.189 -4.205
131 HD21 LEU 15 HD21 LEU 15 27.342 -0.976 -3.483
132 HD22 LEU 15 HD22 LEU 15 27.454 -2.095 -2.124
133 HD23 LEU 15 HD23 LEU 15 28.488 -2.317 -3.535
134 H LEU 16 HN LEU 16 31.604 -2.194 0.853
135 HA LEU 16 HA LEU 16 33.651 -4.109 -0.006
136 HB2 LEU 16 HB2 LEU 16 33.840 -2.171 2.292
137 HB3 LEU 16 HB1 LEU 16 35.154 -2.934 1.396
138 HG LEU 16 HG LEU 16 33.206 -0.867 0.342
139 HD11 LEU 16 HD11 LEU 16 35.171 -0.149 1.814
140 HD12 LEU 16 HD12 LEU 16 35.099 0.585 0.212
141 HD13 LEU 16 HD13 LEU 16 36.222 -0.737 0.526
142 HD21 LEU 16 HD21 LEU 16 34.823 -1.054 -1.686
143 HD22 LEU 16 HD22 LEU 16 33.582 -2.293 -1.494
144 HD23 LEU 16 HD23 LEU 16 35.245 -2.628 -1.010
145 H THR 17 HN THR 17 30.932 -4.353 1.646
146 HA THR 17 HA THR 17 32.003 -6.436 3.415
147 HB THR 17 HB THR 17 30.173 -4.194 4.292
148 HG1 THR 17 HG1 THR 17 32.804 -4.991 4.775
149 HG21 THR 17 HG21 THR 17 30.572 -5.649 6.524
150 HG22 THR 17 HG22 THR 17 30.600 -6.945 5.329
151 HG23 THR 17 HG23 THR 17 29.186 -5.899 5.460
152 H PHE 18 HN PHE 18 28.807 -4.925 3.019
153 HA PHE 18 HA PHE 18 27.256 -7.173 3.137
154 HB2 PHE 18 HB2 PHE 18 26.603 -4.664 2.809
155 HB3 PHE 18 HB1 PHE 18 26.601 -5.074 1.094
156 HD1 PHE 18 HD2 PHE 18 25.384 -6.471 4.360
157 HD2 PHE 18 HD1 PHE 18 24.607 -5.883 0.176
158 HE1 PHE 18 HE2 PHE 18 23.161 -7.534 4.624
159 HE2 PHE 18 HE1 PHE 18 22.383 -6.945 0.440
160 HZ PHE 18 HZ PHE 18 21.659 -7.771 2.664
161 H LEU 19 HN LEU 19 28.677 -5.781 0.180
162 HA LEU 19 HA LEU 19 27.765 -7.880 -1.526
163 HB2 LEU 19 HB2 LEU 19 29.747 -5.640 -1.775
164 HB3 LEU 19 HB1 LEU 19 29.682 -6.887 -3.017
165 HG LEU 19 HG LEU 19 28.228 -4.860 -3.474
166 HD11 LEU 19 HD11 LEU 19 26.155 -6.879 -3.280
167 HD12 LEU 19 HD12 LEU 19 27.663 -7.599 -3.842
168 HD13 LEU 19 HD13 LEU 19 26.953 -6.243 -4.716
169 HD21 LEU 19 HD21 LEU 19 26.312 -4.428 -2.156
170 HD22 LEU 19 HD22 LEU 19 27.587 -4.724 -0.976
171 HD23 LEU 19 HD23 LEU 19 26.414 -5.986 -1.340
172 H ALA 20 HN ALA 20 31.019 -7.093 -0.277
173 HA ALA 20 HA ALA 20 32.500 -9.152 -1.243
174 HB1 ALA 20 HB1 ALA 20 33.931 -8.084 0.117
175 HB2 ALA 20 HB2 ALA 20 33.280 -9.057 1.437
176 HB3 ALA 20 HB3 ALA 20 32.617 -7.456 1.111
177 H PHE 21 HN PHE 21 30.635 -9.336 1.805
178 HA PHE 21 HA PHE 21 31.015 -12.191 1.979
179 HB2 PHE 21 HB2 PHE 21 29.376 -10.222 3.581
180 HB3 PHE 21 HB1 PHE 21 29.403 -11.954 3.918
181 HD1 PHE 21 HD1 PHE 21 31.755 -9.095 3.317
182 HD2 PHE 21 HD2 PHE 21 31.028 -12.791 5.379
183 HE1 PHE 21 HE1 PHE 21 33.879 -8.816 4.564
184 HE2 PHE 21 HE2 PHE 21 33.153 -12.514 6.625
185 HZ PHE 21 HZ PHE 21 34.579 -10.526 6.218
186 H GLY 22 HN GLY 22 28.296 -9.998 1.305
187 HA2 GLY 22 HA2 GLY 22 26.189 -11.710 1.039
188 HA3 GLY 22 HA1 GLY 22 26.440 -10.344 -0.042
189 H PHE 23 HN PHE 23 28.570 -10.975 -1.505
190 HA PHE 23 HA PHE 23 27.726 -12.501 -3.576
191 HB2 PHE 23 HB2 PHE 23 30.180 -11.352 -2.796
192 HB3 PHE 23 HB1 PHE 23 30.533 -13.023 -3.231
193 HD1 PHE 23 HD2 PHE 23 28.954 -13.808 -5.364
194 HD2 PHE 23 HD1 PHE 23 30.411 -9.846 -4.564
195 HE1 PHE 23 HE2 PHE 23 28.729 -13.239 -7.766
196 HE2 PHE 23 HE1 PHE 23 30.186 -9.277 -6.964
197 HZ PHE 23 HZ PHE 23 29.344 -10.974 -8.568
198 H TRP 24 HN TRP 24 29.629 -13.714 -0.813
199 HA TRP 24 HA TRP 24 29.479 -16.440 -1.737
200 HB2 TRP 24 HB2 TRP 24 31.432 -15.910 -0.515
201 HB3 TRP 24 HB1 TRP 24 30.507 -15.142 0.777
202 HD1 TRP 24 HD1 TRP 24 30.676 -18.634 -0.872
203 HE1 TRP 24 HE1 TRP 24 30.411 -20.413 0.979
204 HE3 TRP 24 HE3 TRP 24 30.056 -15.598 3.171
205 HZ2 TRP 24 HZ2 TRP 24 29.991 -20.524 3.802
206 HZ3 TRP 24 HZ3 TRP 24 29.723 -16.560 5.433
207 HH2 TRP 24 HH2 TRP 24 29.690 -19.018 5.754
208 H LEU 25 HN LEU 25 28.309 -14.861 1.233
209 HA LEU 25 HA LEU 25 26.887 -16.685 2.490
210 HB2 LEU 25 HB2 LEU 25 26.307 -13.846 1.923
211 HB3 LEU 25 HB1 LEU 25 24.977 -14.793 2.581
212 HG LEU 25 HG LEU 25 27.717 -14.952 3.822
213 HD11 LEU 25 HD11 LEU 25 27.149 -12.554 3.686
214 HD12 LEU 25 HD12 LEU 25 27.085 -13.128 5.352
215 HD13 LEU 25 HD13 LEU 25 25.592 -12.881 4.445
216 HD21 LEU 25 HD21 LEU 25 26.272 -15.327 5.879
217 HD22 LEU 25 HD22 LEU 25 26.129 -16.582 4.650
218 HD23 LEU 25 HD23 LEU 25 24.872 -15.355 4.811
219 H PHE 26 HN PHE 26 25.395 -14.985 -0.287
220 HA PHE 26 HA PHE 26 23.108 -16.682 -0.300
221 HB2 PHE 26 HB2 PHE 26 24.059 -15.170 -2.711
222 HB3 PHE 26 HB1 PHE 26 22.408 -15.478 -2.180
223 HD1 PHE 26 HD2 PHE 26 22.234 -14.705 0.540
224 HD2 PHE 26 HD1 PHE 26 24.575 -12.905 -2.586
225 HE1 PHE 26 HE2 PHE 26 22.201 -12.547 1.757
226 HE2 PHE 26 HE1 PHE 26 24.542 -10.747 -1.362
227 HZ PHE 26 HZ PHE 26 23.358 -10.567 0.810
228 H LYS 27 HN LYS 27 25.616 -16.361 -2.791
229 HA LYS 27 HA LYS 27 24.977 -18.522 -4.347
230 HB2 LYS 27 HB2 LYS 27 27.588 -17.179 -3.739
231 HB3 LYS 27 HB1 LYS 27 27.542 -18.585 -4.797
232 HG2 LYS 27 HG2 LYS 27 27.358 -16.377 -6.010
233 HG3 LYS 27 HG1 LYS 27 26.023 -17.484 -6.320
234 HD2 LYS 27 HD2 LYS 27 24.584 -16.277 -4.793
235 HD3 LYS 27 HD1 LYS 27 25.931 -15.278 -4.245
236 HE2 LYS 27 HE2 LYS 27 26.102 -14.178 -6.354
237 HE3 LYS 27 HE1 LYS 27 25.037 -15.353 -7.129
238 HZ1 LYS 27 HZ1 LYS 27 24.146 -13.042 -6.315
239 HZ2 LYS 27 HZ2 LYS 27 24.011 -13.856 -4.830
240 HZ3 LYS 27 HZ3 LYS 27 23.190 -14.438 -6.199
241 H TYR 28 HN TYR 28 25.835 -18.754 -1.114
242 HA TYR 28 HA TYR 28 26.666 -21.575 -1.465
243 HB2 TYR 28 HB2 TYR 28 28.506 -21.047 -0.310
244 HB3 TYR 28 HB1 TYR 28 27.894 -19.435 0.051
245 HD1 TYR 28 HD1 TYR 28 27.306 -23.012 1.020
246 HD2 TYR 28 HD2 TYR 28 27.416 -18.907 2.267
247 HE1 TYR 28 HE1 TYR 28 26.854 -23.708 3.358
248 HE2 TYR 28 HE2 TYR 28 26.960 -19.598 4.603
249 HH TYR 28 HH TYR 28 26.149 -21.375 5.867
250 H LEU 29 HN LEU 29 24.985 -19.321 0.749
251 HA LEU 29 HA LEU 29 23.643 -21.583 2.009
252 HB2 LEU 29 HB2 LEU 29 23.448 -20.240 3.796
253 HB3 LEU 29 HB1 LEU 29 24.474 -19.109 2.940
254 HG LEU 29 HG LEU 29 22.339 -18.144 1.904
255 HD11 LEU 29 HD11 LEU 29 20.653 -18.897 4.112
256 HD12 LEU 29 HD12 LEU 29 21.204 -20.363 3.299
257 HD13 LEU 29 HD13 LEU 29 20.354 -19.116 2.388
258 HD21 LEU 29 HD21 LEU 29 23.605 -17.067 3.731
259 HD22 LEU 29 HD22 LEU 29 22.687 -18.004 4.910
260 HD23 LEU 29 HD23 LEU 29 21.869 -16.806 3.909
261 H GLN 30 HN GLN 30 22.906 -18.945 -0.196
262 HA GLN 30 HA GLN 30 20.066 -19.557 -0.218
263 HB2 GLN 30 HB2 GLN 30 20.743 -17.251 -0.500
264 HB3 GLN 30 HB1 GLN 30 21.742 -17.680 -1.887
265 HG2 GLN 30 HG2 GLN 30 19.917 -18.074 -3.268
266 HG3 GLN 30 HG1 GLN 30 18.833 -18.386 -1.916
267 HE21 GLN 30 HE21 GLN 30 20.690 -15.600 -1.247
268 HE22 GLN 30 HE22 GLN 30 19.558 -14.443 -1.749
269 H LYS 31 HN LYS 31 22.813 -20.843 -1.647
270 HA LYS 31 HA LYS 31 21.267 -21.907 -3.937
271 HB2 LYS 31 HB2 LYS 31 24.100 -21.060 -3.626
272 HB3 LYS 31 HB1 LYS 31 23.788 -22.463 -4.646
273 HG2 LYS 31 HG2 LYS 31 23.740 -20.346 -5.945
274 HG3 LYS 31 HG1 LYS 31 22.183 -21.174 -5.975
275 HD2 LYS 31 HD2 LYS 31 21.183 -19.637 -4.531
276 HD3 LYS 31 HD1 LYS 31 22.727 -19.122 -3.851
277 HE2 LYS 31 HE2 LYS 31 23.303 -17.943 -5.884
278 HE3 LYS 31 HE1 LYS 31 21.890 -18.595 -6.715
279 HZ1 LYS 31 HZ1 LYS 31 21.401 -17.158 -4.230
280 HZ2 LYS 31 HZ2 LYS 31 20.502 -17.178 -5.672
281 HZ3 LYS 31 HZ3 LYS 31 21.903 -16.224 -5.553
282 H LYS 32 HN LYS 32 21.693 -22.790 -0.998
283 HA LYS 32 HA LYS 32 23.190 -25.030 -0.660
284 HB2 LYS 32 HB2 LYS 32 20.873 -23.936 0.558
285 HB3 LYS 32 HB1 LYS 32 20.566 -25.655 0.306
286 HG2 LYS 32 HG2 LYS 32 22.674 -26.224 1.420
287 HG3 LYS 32 HG1 LYS 32 23.043 -24.510 1.628
288 HD2 LYS 32 HD2 LYS 32 20.406 -25.443 2.650
289 HD3 LYS 32 HD1 LYS 32 21.834 -25.965 3.544
290 HE2 LYS 32 HE2 LYS 32 22.461 -23.777 4.083
291 HE3 LYS 32 HE1 LYS 32 21.547 -23.082 2.744
292 HZ1 LYS 32 HZ1 LYS 32 20.147 -24.519 4.899
293 HZ2 LYS 32 HZ2 LYS 32 19.564 -23.306 3.862
294 HZ3 LYS 32 HZ3 LYS 32 20.621 -22.907 5.129
Start of MODEL 44
1 H1 LYS 1 HT1 LYS 1 20.763 15.500 -1.409
2 H2 LYS 1 HT2 LYS 1 19.066 15.524 -1.479
3 H3 LYS 1 HT3 LYS 1 19.944 16.975 -1.574
4 HA LYS 1 HA LYS 1 18.992 15.818 -3.713
5 HB2 LYS 1 HB2 LYS 1 20.685 17.004 -4.980
6 HB3 LYS 1 HB1 LYS 1 20.319 17.947 -3.537
7 HG2 LYS 1 HG2 LYS 1 22.295 16.501 -2.504
8 HG3 LYS 1 HG1 LYS 1 22.775 16.373 -4.198
9 HD2 LYS 1 HD2 LYS 1 22.621 18.877 -4.363
10 HD3 LYS 1 HD1 LYS 1 22.337 18.925 -2.623
11 HE2 LYS 1 HE2 LYS 1 24.575 17.291 -2.874
12 HE3 LYS 1 HE1 LYS 1 24.842 18.551 -4.079
13 HZ1 LYS 1 HZ1 LYS 1 24.203 20.157 -2.249
14 HZ2 LYS 1 HZ2 LYS 1 25.716 19.398 -2.101
15 HZ3 LYS 1 HZ3 LYS 1 24.399 18.861 -1.171
16 H LYS 2 HN LYS 2 21.718 14.570 -1.952
17 HA LYS 2 HA LYS 2 22.272 12.602 -4.075
18 HB2 LYS 2 HB2 LYS 2 24.195 13.873 -3.152
19 HB3 LYS 2 HB1 LYS 2 23.843 13.208 -1.558
20 HG2 LYS 2 HG2 LYS 2 23.924 11.057 -3.461
21 HG3 LYS 2 HG1 LYS 2 25.391 12.024 -3.627
22 HD2 LYS 2 HD2 LYS 2 24.329 10.985 -0.984
23 HD3 LYS 2 HD1 LYS 2 25.598 10.197 -1.921
24 HE2 LYS 2 HE2 LYS 2 26.201 13.004 -1.636
25 HE3 LYS 2 HE1 LYS 2 25.907 12.293 -0.049
26 HZ1 LYS 2 HZ1 LYS 2 28.252 12.164 -1.176
27 HZ2 LYS 2 HZ2 LYS 2 27.572 10.811 -1.948
28 HZ3 LYS 2 HZ3 LYS 2 27.655 10.873 -0.252
29 H HIS 3 HN HIS 3 22.579 12.348 -0.548
30 HA HIS 3 HA HIS 3 20.409 10.546 -0.191
31 HB2 HIS 3 HB2 HIS 3 22.103 9.167 -1.542
32 HB3 HIS 3 HB1 HIS 3 23.102 9.195 -0.090
33 HD2 HIS 3 HD2 HIS 3 22.609 6.452 0.502
34 HE1 HIS 3 HE1 HIS 3 18.460 6.891 1.149
35 HE2 HIS 3 HE2 HIS 3 20.430 5.304 1.368
36 H THR 4 HN THR 4 21.148 9.088 1.944
37 HA THR 4 HA THR 4 21.478 11.093 3.986
38 HB THR 4 HB THR 4 19.952 9.331 4.484
39 HG1 THR 4 HG1 THR 4 21.832 9.924 6.032
40 HG21 THR 4 HG21 THR 4 21.409 6.970 4.647
41 HG22 THR 4 HG22 THR 4 21.994 7.715 3.160
42 HG23 THR 4 HG23 THR 4 20.273 7.395 3.367
43 H ILE 5 HN ILE 5 22.943 8.213 4.928
44 HA ILE 5 HA ILE 5 25.648 9.367 4.593
45 HB ILE 5 HB ILE 5 26.123 8.032 6.749
46 HG12 ILE 5 HG12 ILE 5 23.338 8.496 7.577
47 HG13 ILE 5 HG11 ILE 5 23.517 7.209 6.386
48 HG21 ILE 5 HG21 ILE 5 26.265 10.310 7.078
49 HG22 ILE 5 HG22 ILE 5 24.840 9.975 8.061
50 HG23 ILE 5 HG23 ILE 5 24.653 10.612 6.428
51 HD11 ILE 5 HD11 ILE 5 23.729 6.499 8.829
52 HD12 ILE 5 HD12 ILE 5 25.254 7.384 8.849
53 HD13 ILE 5 HD13 ILE 5 25.047 6.009 7.765
54 H TRP 6 HN TRP 6 23.566 6.610 4.334
55 HA TRP 6 HA TRP 6 25.212 4.438 4.284
56 HB2 TRP 6 HB2 TRP 6 22.711 5.171 3.036
57 HB3 TRP 6 HB1 TRP 6 23.676 4.182 1.939
58 HD1 TRP 6 HD1 TRP 6 22.657 1.849 2.189
59 HE1 TRP 6 HE1 TRP 6 22.234 0.239 4.151
60 HE3 TRP 6 HE3 TRP 6 23.815 4.913 6.095
61 HZ2 TRP 6 HZ2 TRP 6 22.368 0.252 7.003
62 HZ3 TRP 6 HZ3 TRP 6 23.658 4.093 8.429
63 HH2 TRP 6 HH2 TRP 6 22.937 1.765 8.888
64 H GLU 7 HN GLU 7 24.541 6.376 1.362
65 HA GLU 7 HA GLU 7 26.459 5.269 -0.291
66 HB2 GLU 7 HB2 GLU 7 25.027 7.853 -0.156
67 HB3 GLU 7 HB1 GLU 7 26.472 7.812 -1.166
68 HG2 GLU 7 HG2 GLU 7 24.326 5.694 -1.354
69 HG3 GLU 7 HG1 GLU 7 24.257 7.177 -2.303
70 H VAL 8 HN VAL 8 26.989 7.051 2.541
71 HA VAL 8 HA VAL 8 29.676 7.891 1.695
72 HB VAL 8 HB VAL 8 28.420 8.511 4.360
73 HG11 VAL 8 HG11 VAL 8 30.144 10.413 2.886
74 HG12 VAL 8 HG12 VAL 8 30.934 8.925 3.406
75 HG13 VAL 8 HG13 VAL 8 30.155 9.971 4.593
76 HG21 VAL 8 HG21 VAL 8 26.835 9.211 2.587
77 HG22 VAL 8 HG22 VAL 8 28.142 10.061 1.763
78 HG23 VAL 8 HG23 VAL 8 27.594 10.610 3.345
79 H ILE 9 HN ILE 9 28.008 5.861 4.071
80 HA ILE 9 HA ILE 9 30.614 4.726 4.853
81 HB ILE 9 HB ILE 9 29.753 5.528 6.830
82 HG12 ILE 9 HG12 ILE 9 29.795 2.816 6.669
83 HG13 ILE 9 HG11 ILE 9 29.436 3.698 8.139
84 HG21 ILE 9 HG21 ILE 9 27.735 6.476 6.080
85 HG22 ILE 9 HG22 ILE 9 27.282 5.393 7.389
86 HG23 ILE 9 HG23 ILE 9 27.029 4.904 5.711
87 HD11 ILE 9 HD11 ILE 9 27.243 2.901 6.218
88 HD12 ILE 9 HD12 ILE 9 27.092 3.404 7.896
89 HD13 ILE 9 HD13 ILE 9 27.794 1.837 7.506
90 H ALA 10 HN ALA 10 27.238 3.905 4.120
91 HA ALA 10 HA ALA 10 27.697 1.086 4.036
92 HB1 ALA 10 HB1 ALA 10 25.514 2.693 2.685
93 HB2 ALA 10 HB2 ALA 10 25.455 2.113 4.351
94 HB3 ALA 10 HB3 ALA 10 25.491 0.959 3.018
95 H GLY 11 HN GLY 11 26.871 3.282 1.337
96 HA2 GLY 11 HA2 GLY 11 27.582 1.592 -0.741
97 HA3 GLY 11 HA1 GLY 11 27.657 3.349 -0.836
98 H LEU 12 HN LEU 12 29.522 2.984 1.640
99 HA LEU 12 HA LEU 12 31.966 2.717 0.037
100 HB2 LEU 12 HB2 LEU 12 31.468 4.838 1.384
101 HB3 LEU 12 HB1 LEU 12 31.777 3.863 2.820
102 HG LEU 12 HG LEU 12 33.935 3.210 1.282
103 HD11 LEU 12 HD11 LEU 12 34.775 5.133 0.152
104 HD12 LEU 12 HD12 LEU 12 33.545 6.180 0.860
105 HD13 LEU 12 HD13 LEU 12 33.095 4.992 -0.365
106 HD21 LEU 12 HD21 LEU 12 35.183 4.797 2.732
107 HD22 LEU 12 HD22 LEU 12 33.976 3.891 3.646
108 HD23 LEU 12 HD23 LEU 12 33.660 5.562 3.183
109 H VAL 13 HN VAL 13 30.183 1.341 2.690
110 HA VAL 13 HA VAL 13 32.429 -0.509 3.242
111 HB VAL 13 HB VAL 13 30.093 0.272 4.997
112 HG11 VAL 13 HG11 VAL 13 32.268 -1.806 5.290
113 HG12 VAL 13 HG12 VAL 13 30.525 -2.025 5.447
114 HG13 VAL 13 HG13 VAL 13 31.417 -1.138 6.684
115 HG21 VAL 13 HG21 VAL 13 33.030 0.586 5.598
116 HG22 VAL 13 HG22 VAL 13 31.664 1.453 6.294
117 HG23 VAL 13 HG23 VAL 13 32.184 1.805 4.647
118 H ALA 14 HN ALA 14 28.858 -0.434 3.095
119 HA ALA 14 HA ALA 14 28.289 -3.106 3.155
120 HB1 ALA 14 HB1 ALA 14 26.964 -0.755 2.240
121 HB2 ALA 14 HB2 ALA 14 26.251 -2.310 2.664
122 HB3 ALA 14 HB3 ALA 14 26.761 -1.998 1.006
123 H LEU 15 HN LEU 15 29.277 -1.246 0.279
124 HA LEU 15 HA LEU 15 29.278 -3.426 -1.517
125 HB2 LEU 15 HB2 LEU 15 31.024 -0.952 -1.601
126 HB3 LEU 15 HB1 LEU 15 30.616 -1.996 -2.964
127 HG LEU 15 HG LEU 15 28.630 -0.412 -1.317
128 HD11 LEU 15 HD11 LEU 15 30.319 0.649 -3.139
129 HD12 LEU 15 HD12 LEU 15 28.666 1.226 -2.927
130 HD13 LEU 15 HD13 LEU 15 29.043 0.089 -4.220
131 HD21 LEU 15 HD21 LEU 15 28.386 -2.421 -3.526
132 HD22 LEU 15 HD22 LEU 15 27.235 -1.089 -3.469
133 HD23 LEU 15 HD23 LEU 15 27.370 -2.197 -2.103
134 H LEU 16 HN LEU 16 31.553 -2.260 0.833
135 HA LEU 16 HA LEU 16 33.602 -4.163 -0.047
136 HB2 LEU 16 HB2 LEU 16 33.802 -2.218 2.246
137 HB3 LEU 16 HB1 LEU 16 35.113 -2.977 1.339
138 HG LEU 16 HG LEU 16 33.146 -0.920 0.299
139 HD11 LEU 16 HD11 LEU 16 35.154 -0.223 1.751
140 HD12 LEU 16 HD12 LEU 16 35.013 0.547 0.171
141 HD13 LEU 16 HD13 LEU 16 36.162 -0.769 0.410
142 HD21 LEU 16 HD21 LEU 16 34.739 -1.110 -1.747
143 HD22 LEU 16 HD22 LEU 16 33.503 -2.350 -1.538
144 HD23 LEU 16 HD23 LEU 16 35.172 -2.681 -1.073
145 H THR 17 HN THR 17 30.905 -4.393 1.671
146 HA THR 17 HA THR 17 32.012 -6.486 3.410
147 HB THR 17 HB THR 17 30.258 -4.199 4.307
148 HG1 THR 17 HG1 THR 17 32.814 -4.672 4.424
149 HG21 THR 17 HG21 THR 17 30.555 -6.978 5.364
150 HG22 THR 17 HG22 THR 17 29.144 -5.921 5.370
151 HG23 THR 17 HG23 THR 17 30.449 -5.656 6.526
152 H PHE 18 HN PHE 18 28.812 -4.972 3.054
153 HA PHE 18 HA PHE 18 27.259 -7.220 3.208
154 HB2 PHE 18 HB2 PHE 18 26.607 -4.711 2.889
155 HB3 PHE 18 HB1 PHE 18 26.579 -5.119 1.175
156 HD1 PHE 18 HD1 PHE 18 25.400 -6.508 4.457
157 HD2 PHE 18 HD2 PHE 18 24.574 -5.925 0.280
158 HE1 PHE 18 HE1 PHE 18 23.173 -7.555 4.751
159 HE2 PHE 18 HE2 PHE 18 22.347 -6.973 0.577
160 HZ PHE 18 HZ PHE 18 21.644 -7.789 2.811
161 H LEU 19 HN LEU 19 28.733 -5.875 0.261
162 HA LEU 19 HA LEU 19 27.767 -7.995 -1.421
163 HB2 LEU 19 HB2 LEU 19 29.688 -5.713 -1.755
164 HB3 LEU 19 HB1 LEU 19 29.607 -6.974 -2.979
165 HG LEU 19 HG LEU 19 28.100 -4.983 -3.410
166 HD11 LEU 19 HD11 LEU 19 27.577 -7.734 -3.735
167 HD12 LEU 19 HD12 LEU 19 26.808 -6.402 -4.594
168 HD13 LEU 19 HD13 LEU 19 26.076 -7.042 -3.124
169 HD21 LEU 19 HD21 LEU 19 26.212 -4.581 -2.038
170 HD22 LEU 19 HD22 LEU 19 27.540 -4.818 -0.904
171 HD23 LEU 19 HD23 LEU 19 26.391 -6.120 -1.196
172 H ALA 20 HN ALA 20 30.976 -7.134 -0.120
173 HA ALA 20 HA ALA 20 32.539 -9.114 -1.145
174 HB1 ALA 20 HB1 ALA 20 33.263 -9.040 1.568
175 HB2 ALA 20 HB2 ALA 20 32.603 -7.443 1.213
176 HB3 ALA 20 HB3 ALA 20 33.945 -8.075 0.259
177 H PHE 21 HN PHE 21 30.636 -9.432 1.868
178 HA PHE 21 HA PHE 21 31.109 -12.284 1.962
179 HB2 PHE 21 HB2 PHE 21 29.433 -10.413 3.642
180 HB3 PHE 21 HB1 PHE 21 29.532 -12.150 3.932
181 HD1 PHE 21 HD1 PHE 21 31.730 -9.156 3.421
182 HD2 PHE 21 HD2 PHE 21 31.241 -12.990 5.297
183 HE1 PHE 21 HE1 PHE 21 33.865 -8.832 4.640
184 HE2 PHE 21 HE2 PHE 21 33.376 -12.666 6.517
185 HZ PHE 21 HZ PHE 21 34.687 -10.587 6.188
186 H GLY 22 HN GLY 22 28.455 -10.099 1.170
187 HA2 GLY 22 HA2 GLY 22 26.334 -11.866 0.953
188 HA3 GLY 22 HA1 GLY 22 26.539 -10.437 -0.054
189 H PHE 23 HN PHE 23 28.854 -11.125 -1.421
190 HA PHE 23 HA PHE 23 27.905 -12.550 -3.600
191 HB2 PHE 23 HB2 PHE 23 30.355 -11.312 -2.842
192 HB3 PHE 23 HB1 PHE 23 30.732 -12.922 -3.455
193 HD1 PHE 23 HD1 PHE 23 29.079 -13.578 -5.555
194 HD2 PHE 23 HD2 PHE 23 30.379 -9.631 -4.460
195 HE1 PHE 23 HE1 PHE 23 28.673 -12.799 -7.874
196 HE2 PHE 23 HE2 PHE 23 29.974 -8.855 -6.776
197 HZ PHE 23 HZ PHE 23 29.118 -10.439 -8.486
198 H TRP 24 HN TRP 24 28.949 -13.717 -0.574
199 HA TRP 24 HA TRP 24 29.282 -16.447 -1.636
200 HB2 TRP 24 HB2 TRP 24 31.244 -15.836 -0.446
201 HB3 TRP 24 HB1 TRP 24 30.307 -15.121 0.869
202 HD1 TRP 24 HD1 TRP 24 30.444 -18.576 -0.856
203 HE1 TRP 24 HE1 TRP 24 30.310 -20.395 0.973
204 HE3 TRP 24 HE3 TRP 24 30.080 -15.627 3.277
205 HZ2 TRP 24 HZ2 TRP 24 30.078 -20.564 3.815
206 HZ3 TRP 24 HZ3 TRP 24 29.902 -16.636 5.538
207 HH2 TRP 24 HH2 TRP 24 29.901 -19.098 5.810
208 H LEU 25 HN LEU 25 28.223 -14.932 1.405
209 HA LEU 25 HA LEU 25 26.781 -16.740 2.660
210 HB2 LEU 25 HB2 LEU 25 26.249 -13.875 2.137
211 HB3 LEU 25 HB1 LEU 25 24.907 -14.805 2.803
212 HG LEU 25 HG LEU 25 27.676 -14.989 3.979
213 HD11 LEU 25 HD11 LEU 25 27.113 -12.624 4.029
214 HD12 LEU 25 HD12 LEU 25 26.914 -13.287 5.650
215 HD13 LEU 25 HD13 LEU 25 25.499 -12.986 4.641
216 HD21 LEU 25 HD21 LEU 25 26.672 -16.242 5.586
217 HD22 LEU 25 HD22 LEU 25 25.332 -16.388 4.451
218 HD23 LEU 25 HD23 LEU 25 25.298 -15.145 5.699
219 H PHE 26 HN PHE 26 25.321 -14.959 -0.073
220 HA PHE 26 HA PHE 26 23.020 -16.673 -0.165
221 HB2 PHE 26 HB2 PHE 26 23.964 -14.970 -2.453
222 HB3 PHE 26 HB1 PHE 26 22.312 -15.356 -1.974
223 HD1 PHE 26 HD1 PHE 26 22.057 -14.769 0.774
224 HD2 PHE 26 HD2 PHE 26 24.446 -12.720 -2.152
225 HE1 PHE 26 HE1 PHE 26 21.967 -12.709 2.147
226 HE2 PHE 26 HE2 PHE 26 24.350 -10.656 -0.777
227 HZ PHE 26 HZ PHE 26 23.119 -10.654 1.374
228 H LYS 27 HN LYS 27 25.558 -16.109 -2.585
229 HA LYS 27 HA LYS 27 25.004 -18.125 -4.327
230 HB2 LYS 27 HB2 LYS 27 27.603 -16.905 -3.466
231 HB3 LYS 27 HB1 LYS 27 27.584 -18.198 -4.657
232 HG2 LYS 27 HG2 LYS 27 27.523 -15.928 -5.707
233 HG3 LYS 27 HG1 LYS 27 26.111 -16.903 -6.110
234 HD2 LYS 27 HD2 LYS 27 24.747 -15.715 -4.525
235 HD3 LYS 27 HD1 LYS 27 26.155 -14.890 -3.849
236 HE2 LYS 27 HE2 LYS 27 24.807 -13.482 -5.447
237 HE3 LYS 27 HE1 LYS 27 26.502 -13.664 -5.899
238 HZ1 LYS 27 HZ1 LYS 27 25.958 -14.755 -7.742
239 HZ2 LYS 27 HZ2 LYS 27 24.370 -14.207 -7.488
240 HZ3 LYS 27 HZ3 LYS 27 24.837 -15.747 -6.945
241 H TYR 28 HN TYR 28 25.903 -18.547 -1.081
242 HA TYR 28 HA TYR 28 26.635 -21.376 -1.581
243 HB2 TYR 28 HB2 TYR 28 28.479 -20.900 -0.393
244 HB3 TYR 28 HB1 TYR 28 27.844 -19.338 0.115
245 HD1 TYR 28 HD2 TYR 28 27.356 -22.999 0.732
246 HD2 TYR 28 HD1 TYR 28 27.251 -19.025 2.355
247 HE1 TYR 28 HE2 TYR 28 26.888 -23.932 2.982
248 HE2 TYR 28 HE1 TYR 28 26.783 -19.956 4.606
249 HH TYR 28 HH TYR 28 25.590 -22.613 5.282
250 H LEU 29 HN LEU 29 25.052 -19.227 0.791
251 HA LEU 29 HA LEU 29 23.703 -21.478 2.001
252 HB2 LEU 29 HB2 LEU 29 24.585 -19.329 3.176
253 HB3 LEU 29 HB1 LEU 29 23.092 -18.593 2.597
254 HG LEU 29 HG LEU 29 22.321 -21.059 3.725
255 HD11 LEU 29 HD11 LEU 29 23.221 -20.862 6.022
256 HD12 LEU 29 HD12 LEU 29 24.267 -19.546 5.490
257 HD13 LEU 29 HD13 LEU 29 24.503 -21.173 4.851
258 HD21 LEU 29 HD21 LEU 29 22.219 -18.251 4.868
259 HD22 LEU 29 HD22 LEU 29 21.188 -19.598 5.352
260 HD23 LEU 29 HD23 LEU 29 21.060 -18.930 3.725
261 H GLN 30 HN GLN 30 23.006 -19.056 -0.362
262 HA GLN 30 HA GLN 30 20.132 -19.644 -0.276
263 HB2 GLN 30 HB2 GLN 30 20.761 -17.290 -0.428
264 HB3 GLN 30 HB1 GLN 30 21.716 -17.613 -1.871
265 HG2 GLN 30 HG2 GLN 30 19.897 -17.747 -3.223
266 HG3 GLN 30 HG1 GLN 30 18.904 -18.521 -1.985
267 HE21 GLN 30 HE21 GLN 30 20.595 -15.533 -1.190
268 HE22 GLN 30 HE22 GLN 30 19.215 -14.545 -1.173
269 H LYS 31 HN LYS 31 22.442 -21.412 -1.286
270 HA LYS 31 HA LYS 31 21.219 -22.042 -3.904
271 HB2 LYS 31 HB2 LYS 31 23.985 -21.402 -3.284
272 HB3 LYS 31 HB1 LYS 31 23.843 -23.011 -3.986
273 HG2 LYS 31 HG2 LYS 31 24.121 -21.451 -5.802
274 HG3 LYS 31 HG1 LYS 31 22.448 -21.994 -5.836
275 HD2 LYS 31 HD2 LYS 31 22.575 -19.737 -4.097
276 HD3 LYS 31 HD1 LYS 31 23.450 -19.323 -5.568
277 HE2 LYS 31 HE2 LYS 31 21.491 -20.138 -6.904
278 HE3 LYS 31 HE1 LYS 31 20.608 -20.357 -5.393
279 HZ1 LYS 31 HZ1 LYS 31 21.764 -17.800 -6.363
280 HZ2 LYS 31 HZ2 LYS 31 20.911 -18.014 -4.909
281 HZ3 LYS 31 HZ3 LYS 31 20.120 -18.217 -6.398
282 H LYS 32 HN LYS 32 21.452 -23.068 -0.852
283 HA LYS 32 HA LYS 32 21.892 -25.901 -1.542
284 HB2 LYS 32 HB2 LYS 32 21.905 -26.200 0.985
285 HB3 LYS 32 HB1 LYS 32 23.251 -25.293 0.302
286 HG2 LYS 32 HG2 LYS 32 22.462 -24.110 2.262
287 HG3 LYS 32 HG1 LYS 32 22.030 -23.171 0.840
288 HD2 LYS 32 HD2 LYS 32 19.764 -23.631 1.053
289 HD3 LYS 32 HD1 LYS 32 20.045 -25.159 1.889
290 HE2 LYS 32 HE2 LYS 32 20.526 -22.406 3.061
291 HE3 LYS 32 HE1 LYS 32 19.153 -23.449 3.430
292 HZ1 LYS 32 HZ1 LYS 32 20.372 -24.620 4.844
293 HZ2 LYS 32 HZ2 LYS 32 21.586 -23.440 4.694
294 HZ3 LYS 32 HZ3 LYS 32 21.623 -24.830 3.719
Start of MODEL 45
1 H1 LYS 1 HT1 LYS 1 27.361 19.339 0.492
2 H2 LYS 1 HT2 LYS 1 28.335 18.128 1.179
3 H3 LYS 1 HT3 LYS 1 27.805 19.436 2.125
4 HA LYS 1 HA LYS 1 26.513 17.485 2.650
5 HB2 LYS 1 HB2 LYS 1 24.531 18.978 1.053
6 HB3 LYS 1 HB1 LYS 1 24.585 18.684 2.791
7 HG2 LYS 1 HG2 LYS 1 26.446 20.383 2.938
8 HG3 LYS 1 HG1 LYS 1 26.146 20.769 1.242
9 HD2 LYS 1 HD2 LYS 1 23.730 21.208 1.876
10 HD3 LYS 1 HD1 LYS 1 24.227 21.076 3.564
11 HE2 LYS 1 HE2 LYS 1 24.710 23.281 3.442
12 HE3 LYS 1 HE1 LYS 1 26.111 22.802 2.484
13 HZ1 LYS 1 HZ1 LYS 1 24.353 24.486 1.560
14 HZ2 LYS 1 HZ2 LYS 1 23.526 23.064 1.133
15 HZ3 LYS 1 HZ3 LYS 1 25.092 23.350 0.540
16 H LYS 2 HN LYS 2 25.854 15.538 1.955
17 HA LYS 2 HA LYS 2 24.869 15.166 -0.756
18 HB2 LYS 2 HB2 LYS 2 27.331 14.953 -0.996
19 HB3 LYS 2 HB1 LYS 2 27.314 13.663 0.207
20 HG2 LYS 2 HG2 LYS 2 25.316 13.109 -1.786
21 HG3 LYS 2 HG1 LYS 2 26.854 13.431 -2.585
22 HD2 LYS 2 HD2 LYS 2 27.953 11.793 -1.054
23 HD3 LYS 2 HD1 LYS 2 26.371 11.419 -0.367
24 HE2 LYS 2 HE2 LYS 2 25.968 9.981 -2.045
25 HE3 LYS 2 HE1 LYS 2 26.166 11.279 -3.220
26 HZ1 LYS 2 HZ1 LYS 2 28.013 10.271 -3.868
27 HZ2 LYS 2 HZ2 LYS 2 27.932 9.151 -2.592
28 HZ3 LYS 2 HZ3 LYS 2 28.706 10.647 -2.366
29 H HIS 3 HN HIS 3 23.046 14.090 -0.385
30 HA HIS 3 HA HIS 3 21.500 12.732 0.671
31 HB2 HIS 3 HB2 HIS 3 21.840 10.672 -0.173
32 HB3 HIS 3 HB1 HIS 3 23.355 11.320 -0.798
33 HD2 HIS 3 HD2 HIS 3 22.543 8.239 0.913
34 HE1 HIS 3 HE1 HIS 3 25.978 9.500 3.014
35 HE2 HIS 3 HE2 HIS 3 24.428 7.535 2.575
36 H THR 4 HN THR 4 21.715 10.554 2.367
37 HA THR 4 HA THR 4 22.094 11.857 4.882
38 HB THR 4 HB THR 4 20.384 10.231 4.846
39 HG1 THR 4 HG1 THR 4 21.328 9.941 6.747
40 HG21 THR 4 HG21 THR 4 21.007 8.970 2.875
41 HG22 THR 4 HG22 THR 4 20.846 7.843 4.220
42 HG23 THR 4 HG23 THR 4 22.444 8.340 3.679
43 H ILE 5 HN ILE 5 23.228 8.741 5.285
44 HA ILE 5 HA ILE 5 26.049 9.647 5.334
45 HB ILE 5 HB ILE 5 26.218 7.982 7.282
46 HG12 ILE 5 HG12 ILE 5 23.408 8.547 7.944
47 HG13 ILE 5 HG11 ILE 5 23.612 7.441 6.586
48 HG21 ILE 5 HG21 ILE 5 24.965 10.691 7.263
49 HG22 ILE 5 HG22 ILE 5 26.493 10.169 7.972
50 HG23 ILE 5 HG23 ILE 5 24.970 9.800 8.786
51 HD11 ILE 5 HD11 ILE 5 23.541 6.387 8.928
52 HD12 ILE 5 HD12 ILE 5 25.140 7.090 9.164
53 HD13 ILE 5 HD13 ILE 5 24.877 5.909 7.882
54 H TRP 6 HN TRP 6 23.770 7.180 4.476
55 HA TRP 6 HA TRP 6 25.199 4.884 4.222
56 HB2 TRP 6 HB2 TRP 6 22.948 6.074 2.868
57 HB3 TRP 6 HB1 TRP 6 23.929 5.150 1.732
58 HD1 TRP 6 HD1 TRP 6 22.601 2.978 1.509
59 HE1 TRP 6 HE1 TRP 6 21.819 1.141 3.131
60 HE3 TRP 6 HE3 TRP 6 23.742 5.200 5.955
61 HZ2 TRP 6 HZ2 TRP 6 21.697 0.676 5.945
62 HZ3 TRP 6 HZ3 TRP 6 23.284 4.040 8.093
63 HH2 TRP 6 HH2 TRP 6 22.262 1.780 8.096
64 H GLU 7 HN GLU 7 25.021 7.095 1.426
65 HA GLU 7 HA GLU 7 27.104 5.999 -0.008
66 HB2 GLU 7 HB2 GLU 7 26.142 8.851 0.130
67 HB3 GLU 7 HB1 GLU 7 27.354 8.302 -1.025
68 HG2 GLU 7 HG2 GLU 7 25.025 6.539 -0.935
69 HG3 GLU 7 HG1 GLU 7 24.600 8.191 -1.380
70 H VAL 8 HN VAL 8 27.390 7.466 3.022
71 HA VAL 8 HA VAL 8 30.195 8.217 2.534
72 HB VAL 8 HB VAL 8 28.572 8.752 5.028
73 HG11 VAL 8 HG11 VAL 8 30.950 8.740 5.450
74 HG12 VAL 8 HG12 VAL 8 30.413 10.419 5.393
75 HG13 VAL 8 HG13 VAL 8 31.253 9.715 4.011
76 HG21 VAL 8 HG21 VAL 8 27.748 10.627 4.054
77 HG22 VAL 8 HG22 VAL 8 28.232 9.920 2.513
78 HG23 VAL 8 HG23 VAL 8 29.313 11.029 3.353
79 H ILE 9 HN ILE 9 28.165 5.999 4.363
80 HA ILE 9 HA ILE 9 30.605 4.629 5.304
81 HB ILE 9 HB ILE 9 29.623 5.253 7.284
82 HG12 ILE 9 HG12 ILE 9 29.481 2.592 6.802
83 HG13 ILE 9 HG11 ILE 9 29.020 3.324 8.325
84 HG21 ILE 9 HG21 ILE 9 27.106 5.262 7.606
85 HG22 ILE 9 HG22 ILE 9 26.985 5.020 5.859
86 HG23 ILE 9 HG23 ILE 9 27.775 6.458 6.503
87 HD11 ILE 9 HD11 ILE 9 26.710 3.246 7.814
88 HD12 ILE 9 HD12 ILE 9 27.337 1.689 7.284
89 HD13 ILE 9 HD13 ILE 9 27.007 2.949 6.106
90 H ALA 10 HN ALA 10 27.295 4.205 4.127
91 HA ALA 10 HA ALA 10 27.504 1.375 3.785
92 HB1 ALA 10 HB1 ALA 10 25.655 3.330 2.396
93 HB2 ALA 10 HB2 ALA 10 25.335 2.567 3.955
94 HB3 ALA 10 HB3 ALA 10 25.443 1.581 2.498
95 H GLY 11 HN GLY 11 27.199 3.895 1.266
96 HA2 GLY 11 HA2 GLY 11 28.029 2.370 -0.892
97 HA3 GLY 11 HA1 GLY 11 28.262 4.114 -0.775
98 H LEU 12 HN LEU 12 29.763 3.346 1.837
99 HA LEU 12 HA LEU 12 32.364 3.012 0.522
100 HB2 LEU 12 HB2 LEU 12 31.879 4.995 2.055
101 HB3 LEU 12 HB1 LEU 12 31.880 3.835 3.384
102 HG LEU 12 HG LEU 12 34.175 3.105 2.180
103 HD11 LEU 12 HD11 LEU 12 33.933 4.849 0.431
104 HD12 LEU 12 HD12 LEU 12 35.374 5.108 1.415
105 HD13 LEU 12 HD13 LEU 12 33.933 6.088 1.686
106 HD21 LEU 12 HD21 LEU 12 35.310 4.672 3.819
107 HD22 LEU 12 HD22 LEU 12 34.040 3.671 4.521
108 HD23 LEU 12 HD23 LEU 12 33.722 5.365 4.149
109 H VAL 13 HN VAL 13 30.145 1.540 2.769
110 HA VAL 13 HA VAL 13 32.095 -0.638 3.256
111 HB VAL 13 HB VAL 13 29.763 0.220 4.988
112 HG11 VAL 13 HG11 VAL 13 31.801 -2.005 5.192
113 HG12 VAL 13 HG12 VAL 13 30.043 -2.142 5.216
114 HG13 VAL 13 HG13 VAL 13 30.891 -1.424 6.586
115 HG21 VAL 13 HG21 VAL 13 31.330 1.207 6.426
116 HG22 VAL 13 HG22 VAL 13 31.993 1.611 4.843
117 HG23 VAL 13 HG23 VAL 13 32.669 0.269 5.764
118 H ALA 14 HN ALA 14 28.567 -0.065 3.091
119 HA ALA 14 HA ALA 14 27.659 -2.621 2.758
120 HB1 ALA 14 HB1 ALA 14 26.125 -0.741 2.805
121 HB2 ALA 14 HB2 ALA 14 25.857 -1.655 1.321
122 HB3 ALA 14 HB3 ALA 14 26.759 -0.139 1.272
123 H LEU 15 HN LEU 15 28.978 -0.513 0.210
124 HA LEU 15 HA LEU 15 28.711 -2.415 -1.877
125 HB2 LEU 15 HB2 LEU 15 29.059 0.021 -2.258
126 HB3 LEU 15 HB1 LEU 15 30.701 -0.138 -1.638
127 HG LEU 15 HG LEU 15 31.210 -1.774 -3.434
128 HD11 LEU 15 HD11 LEU 15 28.301 -1.358 -3.983
129 HD12 LEU 15 HD12 LEU 15 29.270 -2.825 -4.118
130 HD13 LEU 15 HD13 LEU 15 29.371 -1.583 -5.366
131 HD21 LEU 15 HD21 LEU 15 31.926 0.108 -4.448
132 HD22 LEU 15 HD22 LEU 15 30.593 1.042 -3.768
133 HD23 LEU 15 HD23 LEU 15 30.375 0.169 -5.285
134 H LEU 16 HN LEU 16 31.121 -1.820 0.579
135 HA LEU 16 HA LEU 16 32.948 -3.795 -0.579
136 HB2 LEU 16 HB2 LEU 16 33.331 -2.257 1.987
137 HB3 LEU 16 HB1 LEU 16 34.563 -3.013 0.974
138 HG LEU 16 HG LEU 16 32.863 -0.603 0.277
139 HD11 LEU 16 HD11 LEU 16 35.870 -0.802 0.323
140 HD12 LEU 16 HD12 LEU 16 34.966 -0.446 1.794
141 HD13 LEU 16 HD13 LEU 16 34.861 0.642 0.411
142 HD21 LEU 16 HD21 LEU 16 34.430 -0.660 -1.795
143 HD22 LEU 16 HD22 LEU 16 33.059 -1.770 -1.765
144 HD23 LEU 16 HD23 LEU 16 34.678 -2.356 -1.376
145 H THR 17 HN THR 17 30.223 -3.984 1.124
146 HA THR 17 HA THR 17 31.163 -6.294 2.709
147 HB THR 17 HB THR 17 29.320 -4.068 3.471
148 HG1 THR 17 HG1 THR 17 30.882 -5.525 5.237
149 HG21 THR 17 HG21 THR 17 27.819 -5.855 3.818
150 HG22 THR 17 HG22 THR 17 28.608 -5.661 5.383
151 HG23 THR 17 HG23 THR 17 29.107 -6.957 4.299
152 H PHE 18 HN PHE 18 28.129 -4.840 1.515
153 HA PHE 18 HA PHE 18 26.479 -6.983 1.411
154 HB2 PHE 18 HB2 PHE 18 26.174 -4.547 0.500
155 HB3 PHE 18 HB1 PHE 18 26.653 -5.261 -1.040
156 HD1 PHE 18 HD2 PHE 18 24.244 -5.625 1.788
157 HD2 PHE 18 HD1 PHE 18 25.117 -6.523 -2.320
158 HE1 PHE 18 HE2 PHE 18 21.953 -6.534 1.500
159 HE2 PHE 18 HE1 PHE 18 22.827 -7.433 -2.609
160 HZ PHE 18 HZ PHE 18 21.246 -7.438 -0.698
161 H LEU 19 HN LEU 19 28.928 -6.192 -1.050
162 HA LEU 19 HA LEU 19 28.397 -8.496 -2.657
163 HB2 LEU 19 HB2 LEU 19 30.623 -6.477 -2.524
164 HB3 LEU 19 HB1 LEU 19 30.763 -7.893 -3.561
165 HG LEU 19 HG LEU 19 29.806 -5.846 -4.703
166 HD11 LEU 19 HD11 LEU 19 27.509 -7.625 -4.887
167 HD12 LEU 19 HD12 LEU 19 29.019 -8.533 -4.910
168 HD13 LEU 19 HD13 LEU 19 28.736 -7.261 -6.098
169 HD21 LEU 19 HD21 LEU 19 27.336 -6.440 -3.066
170 HD22 LEU 19 HD22 LEU 19 27.633 -5.061 -4.124
171 HD23 LEU 19 HD23 LEU 19 28.500 -5.200 -2.594
172 H ALA 20 HN ALA 20 31.119 -7.679 -0.493
173 HA ALA 20 HA ALA 20 32.569 -9.990 -0.583
174 HB1 ALA 20 HB1 ALA 20 32.246 -7.823 1.277
175 HB2 ALA 20 HB2 ALA 20 33.660 -8.838 0.993
176 HB3 ALA 20 HB3 ALA 20 32.433 -9.338 2.158
177 H PHE 21 HN PHE 21 29.880 -9.399 1.693
178 HA PHE 21 HA PHE 21 29.814 -12.141 2.549
179 HB2 PHE 21 HB2 PHE 21 27.969 -9.792 2.994
180 HB3 PHE 21 HB1 PHE 21 27.663 -11.393 3.669
181 HD1 PHE 21 HD1 PHE 21 30.359 -8.799 3.424
182 HD2 PHE 21 HD2 PHE 21 28.612 -11.973 5.731
183 HE1 PHE 21 HE1 PHE 21 31.930 -8.314 5.281
184 HE2 PHE 21 HE2 PHE 21 30.183 -11.490 7.587
185 HZ PHE 21 HZ PHE 21 31.842 -9.659 7.363
186 H GLY 22 HN GLY 22 27.725 -10.099 0.516
187 HA2 GLY 22 HA2 GLY 22 25.701 -11.860 -0.095
188 HA3 GLY 22 HA1 GLY 22 26.324 -10.668 -1.228
189 H PHE 23 HN PHE 23 28.730 -11.463 -1.949
190 HA PHE 23 HA PHE 23 28.405 -13.408 -3.844
191 HB2 PHE 23 HB2 PHE 23 30.390 -12.328 -4.176
192 HB3 PHE 23 HB1 PHE 23 30.756 -12.247 -2.453
193 HD1 PHE 23 HD1 PHE 23 30.862 -14.370 -5.471
194 HD2 PHE 23 HD2 PHE 23 31.877 -14.066 -1.308
195 HE1 PHE 23 HE1 PHE 23 32.322 -16.363 -5.681
196 HE2 PHE 23 HE2 PHE 23 33.337 -16.058 -1.518
197 HZ PHE 23 HZ PHE 23 33.560 -17.209 -3.706
198 H TRP 24 HN TRP 24 29.235 -13.826 -0.451
199 HA TRP 24 HA TRP 24 29.633 -16.692 -0.764
200 HB2 TRP 24 HB2 TRP 24 31.102 -15.688 0.800
201 HB3 TRP 24 HB1 TRP 24 29.786 -14.811 1.584
202 HD1 TRP 24 HD1 TRP 24 30.564 -18.522 0.808
203 HE1 TRP 24 HE1 TRP 24 29.912 -19.926 2.873
204 HE3 TRP 24 HE3 TRP 24 28.807 -14.834 3.849
205 HZ2 TRP 24 HZ2 TRP 24 28.793 -19.529 5.470
206 HZ3 TRP 24 HZ3 TRP 24 27.952 -15.367 6.117
207 HH2 TRP 24 HH2 TRP 24 27.942 -17.708 6.929
208 H LEU 25 HN LEU 25 27.620 -14.740 1.422
209 HA LEU 25 HA LEU 25 25.917 -16.370 2.558
210 HB2 LEU 25 HB2 LEU 25 25.464 -13.768 1.232
211 HB3 LEU 25 HB1 LEU 25 24.019 -14.682 1.664
212 HG LEU 25 HG LEU 25 26.271 -14.314 3.621
213 HD11 LEU 25 HD11 LEU 25 25.090 -12.354 4.521
214 HD12 LEU 25 HD12 LEU 25 23.894 -12.472 3.231
215 HD13 LEU 25 HD13 LEU 25 25.569 -12.069 2.847
216 HD21 LEU 25 HD21 LEU 25 23.954 -15.819 3.686
217 HD22 LEU 25 HD22 LEU 25 23.475 -14.349 4.530
218 HD23 LEU 25 HD23 LEU 25 24.853 -15.286 5.105
219 H PHE 26 HN PHE 26 25.300 -15.388 -0.821
220 HA PHE 26 HA PHE 26 23.192 -17.272 -1.130
221 HB2 PHE 26 HB2 PHE 26 24.744 -16.058 -3.404
222 HB3 PHE 26 HB1 PHE 26 23.042 -16.521 -3.357
223 HD1 PHE 26 HD1 PHE 26 21.808 -15.399 -1.151
224 HD2 PHE 26 HD2 PHE 26 25.095 -13.751 -3.373
225 HE1 PHE 26 HE1 PHE 26 21.205 -13.132 -0.363
226 HE2 PHE 26 HE2 PHE 26 24.492 -11.482 -2.581
227 HZ PHE 26 HZ PHE 26 22.547 -11.171 -1.076
228 H LYS 27 HN LYS 27 26.452 -17.185 -2.617
229 HA LYS 27 HA LYS 27 26.240 -19.798 -3.689
230 HB2 LYS 27 HB2 LYS 27 28.630 -18.043 -3.120
231 HB3 LYS 27 HB1 LYS 27 28.744 -19.599 -3.943
232 HG2 LYS 27 HG2 LYS 27 27.547 -18.858 -5.804
233 HG3 LYS 27 HG1 LYS 27 26.757 -17.563 -4.905
234 HD2 LYS 27 HD2 LYS 27 28.516 -16.121 -5.171
235 HD3 LYS 27 HD1 LYS 27 29.720 -17.410 -5.088
236 HE2 LYS 27 HE2 LYS 27 29.313 -16.220 -7.377
237 HE3 LYS 27 HE1 LYS 27 29.456 -17.977 -7.349
238 HZ1 LYS 27 HZ1 LYS 27 27.379 -16.587 -8.393
239 HZ2 LYS 27 HZ2 LYS 27 26.783 -17.043 -6.869
240 HZ3 LYS 27 HZ3 LYS 27 27.340 -18.225 -7.955
241 H TYR 28 HN TYR 28 25.602 -19.689 -0.830
242 HA TYR 28 HA TYR 28 27.151 -21.990 -0.013
243 HB2 TYR 28 HB2 TYR 28 28.629 -20.811 1.222
244 HB3 TYR 28 HB1 TYR 28 27.682 -19.330 1.098
245 HD1 TYR 28 HD1 TYR 28 27.496 -22.713 2.712
246 HD2 TYR 28 HD2 TYR 28 26.668 -18.511 3.030
247 HE1 TYR 28 HE1 TYR 28 26.653 -23.053 5.022
248 HE2 TYR 28 HE2 TYR 28 25.822 -18.849 5.336
249 HH TYR 28 HH TYR 28 24.786 -20.919 6.628
250 H LEU 29 HN LEU 29 24.776 -19.514 0.905
251 HA LEU 29 HA LEU 29 23.334 -21.463 2.548
252 HB2 LEU 29 HB2 LEU 29 23.790 -18.859 2.992
253 HB3 LEU 29 HB1 LEU 29 22.276 -18.717 2.100
254 HG LEU 29 HG LEU 29 22.712 -20.453 4.550
255 HD11 LEU 29 HD11 LEU 29 21.084 -18.796 5.563
256 HD12 LEU 29 HD12 LEU 29 21.339 -17.789 4.138
257 HD13 LEU 29 HD13 LEU 29 22.688 -18.147 5.218
258 HD21 LEU 29 HD21 LEU 29 20.074 -20.353 4.335
259 HD22 LEU 29 HD22 LEU 29 20.996 -21.536 3.408
260 HD23 LEU 29 HD23 LEU 29 20.435 -20.054 2.635
261 H GLN 30 HN GLN 30 22.918 -19.527 -0.376
262 HA GLN 30 HA GLN 30 20.238 -20.494 -0.864
263 HB2 GLN 30 HB2 GLN 30 20.715 -18.300 -1.645
264 HB3 GLN 30 HB1 GLN 30 22.185 -18.828 -2.450
265 HG2 GLN 30 HG2 GLN 30 21.040 -19.863 -4.190
266 HG3 GLN 30 HG1 GLN 30 19.541 -19.982 -3.262
267 HE21 GLN 30 HE21 GLN 30 21.023 -16.916 -2.851
268 HE22 GLN 30 HE22 GLN 30 20.075 -16.056 -3.964
269 H LYS 31 HN LYS 31 23.173 -21.949 -1.058
270 HA LYS 31 HA LYS 31 22.444 -23.562 -3.426
271 HB2 LYS 31 HB2 LYS 31 24.991 -22.541 -2.391
272 HB3 LYS 31 HB1 LYS 31 25.033 -24.256 -2.795
273 HG2 LYS 31 HG2 LYS 31 25.646 -22.938 -4.759
274 HG3 LYS 31 HG1 LYS 31 24.092 -23.720 -5.042
275 HD2 LYS 31 HD2 LYS 31 23.545 -21.225 -3.788
276 HD3 LYS 31 HD1 LYS 31 24.718 -20.913 -5.065
277 HE2 LYS 31 HE2 LYS 31 23.257 -22.224 -6.640
278 HE3 LYS 31 HE1 LYS 31 22.046 -22.311 -5.361
279 HZ1 LYS 31 HZ1 LYS 31 21.342 -20.332 -6.007
280 HZ2 LYS 31 HZ2 LYS 31 22.606 -20.186 -7.133
281 HZ3 LYS 31 HZ3 LYS 31 22.825 -19.662 -5.533
282 H LYS 32 HN LYS 32 23.537 -23.724 -0.064
283 HA LYS 32 HA LYS 32 23.937 -26.375 0.368
284 HB2 LYS 32 HB2 LYS 32 23.102 -26.067 2.632
285 HB3 LYS 32 HB1 LYS 32 23.990 -24.626 2.133
286 HG2 LYS 32 HG2 LYS 32 22.145 -23.471 2.755
287 HG3 LYS 32 HG1 LYS 32 21.418 -24.088 1.272
288 HD2 LYS 32 HD2 LYS 32 20.748 -26.152 2.624
289 HD3 LYS 32 HD1 LYS 32 21.196 -25.233 4.062
290 HE2 LYS 32 HE2 LYS 32 19.086 -24.415 4.012
291 HE3 LYS 32 HE1 LYS 32 19.624 -23.444 2.641
292 HZ1 LYS 32 HZ1 LYS 32 18.790 -26.210 2.150
293 HZ2 LYS 32 HZ2 LYS 32 18.663 -24.846 1.146
294 HZ3 LYS 32 HZ3 LYS 32 17.586 -25.054 2.443
Start of MODEL 46
1 H1 LYS 1 HT1 LYS 1 22.747 17.157 -1.523
2 H2 LYS 1 HT2 LYS 1 22.859 18.738 -2.135
3 H3 LYS 1 HT3 LYS 1 23.031 18.455 -0.469
4 HA LYS 1 HA LYS 1 25.014 18.480 -2.456
5 HB2 LYS 1 HB2 LYS 1 25.329 19.472 -0.282
6 HB3 LYS 1 HB1 LYS 1 24.978 17.944 0.525
7 HG2 LYS 1 HG2 LYS 1 27.008 16.966 -0.180
8 HG3 LYS 1 HG1 LYS 1 27.256 18.180 -1.436
9 HD2 LYS 1 HD2 LYS 1 27.712 19.890 0.207
10 HD3 LYS 1 HD1 LYS 1 27.251 18.813 1.526
11 HE2 LYS 1 HE2 LYS 1 29.544 18.258 -0.375
12 HE3 LYS 1 HE1 LYS 1 29.741 19.017 1.205
13 HZ1 LYS 1 HZ1 LYS 1 28.612 16.322 0.673
14 HZ2 LYS 1 HZ2 LYS 1 28.689 17.057 2.201
15 HZ3 LYS 1 HZ3 LYS 1 30.118 16.661 1.374
16 H LYS 2 HN LYS 2 24.083 15.926 -0.131
17 HA LYS 2 HA LYS 2 24.733 13.866 -2.067
18 HB2 LYS 2 HB2 LYS 2 26.946 14.311 -1.143
19 HB3 LYS 2 HB1 LYS 2 26.319 14.138 0.497
20 HG2 LYS 2 HG2 LYS 2 25.892 11.816 0.203
21 HG3 LYS 2 HG1 LYS 2 26.076 11.927 -1.547
22 HD2 LYS 2 HD2 LYS 2 28.086 10.928 -0.579
23 HD3 LYS 2 HD1 LYS 2 28.473 12.523 -1.228
24 HE2 LYS 2 HE2 LYS 2 28.540 13.508 0.925
25 HE3 LYS 2 HE1 LYS 2 27.694 12.150 1.664
26 HZ1 LYS 2 HZ1 LYS 2 30.484 12.285 0.709
27 HZ2 LYS 2 HZ2 LYS 2 29.695 10.792 0.895
28 HZ3 LYS 2 HZ3 LYS 2 29.905 11.818 2.233
29 H HIS 3 HN HIS 3 24.165 11.709 -1.282
30 HA HIS 3 HA HIS 3 21.670 11.551 -0.103
31 HB2 HIS 3 HB2 HIS 3 22.914 9.738 -1.379
32 HB3 HIS 3 HB1 HIS 3 23.756 9.380 0.129
33 HD2 HIS 3 HD2 HIS 3 22.329 6.895 0.378
34 HE1 HIS 3 HE1 HIS 3 18.569 8.689 1.056
35 HE2 HIS 3 HE2 HIS 3 19.854 6.500 1.112
36 H THR 4 HN THR 4 21.468 9.938 1.966
37 HA THR 4 HA THR 4 21.930 11.528 4.217
38 HB THR 4 HB THR 4 20.232 9.846 4.319
39 HG1 THR 4 HG1 THR 4 21.262 10.171 6.282
40 HG21 THR 4 HG21 THR 4 22.291 8.233 3.080
41 HG22 THR 4 HG22 THR 4 20.553 7.944 3.165
42 HG23 THR 4 HG23 THR 4 21.603 7.397 4.473
43 H ILE 5 HN ILE 5 23.038 8.505 5.103
44 HA ILE 5 HA ILE 5 25.833 9.466 5.233
45 HB ILE 5 HB ILE 5 25.926 7.808 7.207
46 HG12 ILE 5 HG12 ILE 5 23.072 8.337 7.699
47 HG13 ILE 5 HG11 ILE 5 23.370 7.216 6.370
48 HG21 ILE 5 HG21 ILE 5 26.034 10.238 7.486
49 HG22 ILE 5 HG22 ILE 5 25.010 9.540 8.741
50 HG23 ILE 5 HG23 ILE 5 24.278 10.350 7.356
51 HD11 ILE 5 HD11 ILE 5 24.608 5.735 7.759
52 HD12 ILE 5 HD12 ILE 5 23.185 6.176 8.702
53 HD13 ILE 5 HD13 ILE 5 24.741 6.933 9.045
54 H TRP 6 HN TRP 6 23.675 6.905 4.323
55 HA TRP 6 HA TRP 6 25.184 4.655 4.146
56 HB2 TRP 6 HB2 TRP 6 22.949 5.758 2.686
57 HB3 TRP 6 HB1 TRP 6 24.009 4.862 1.598
58 HD1 TRP 6 HD1 TRP 6 22.813 2.617 1.338
59 HE1 TRP 6 HE1 TRP 6 22.010 0.775 2.947
60 HE3 TRP 6 HE3 TRP 6 23.576 4.965 5.798
61 HZ2 TRP 6 HZ2 TRP 6 21.728 0.358 5.757
62 HZ3 TRP 6 HZ3 TRP 6 23.032 3.825 7.931
63 HH2 TRP 6 HH2 TRP 6 22.108 1.525 7.916
64 H GLU 7 HN GLU 7 25.014 6.859 1.349
65 HA GLU 7 HA GLU 7 27.136 5.902 -0.088
66 HB2 GLU 7 HB2 GLU 7 25.979 8.641 0.233
67 HB3 GLU 7 HB1 GLU 7 27.427 8.421 -0.749
68 HG2 GLU 7 HG2 GLU 7 25.079 6.599 -1.163
69 HG3 GLU 7 HG1 GLU 7 25.050 8.218 -1.862
70 H VAL 8 HN VAL 8 27.299 7.369 2.994
71 HA VAL 8 HA VAL 8 30.124 8.088 2.657
72 HB VAL 8 HB VAL 8 28.563 8.473 5.196
73 HG11 VAL 8 HG11 VAL 8 31.142 8.823 4.792
74 HG12 VAL 8 HG12 VAL 8 30.224 10.020 5.706
75 HG13 VAL 8 HG13 VAL 8 30.612 10.313 4.011
76 HG21 VAL 8 HG21 VAL 8 28.628 10.304 2.774
77 HG22 VAL 8 HG22 VAL 8 27.924 10.706 4.340
78 HG23 VAL 8 HG23 VAL 8 27.211 9.431 3.353
79 H ILE 9 HN ILE 9 28.041 5.860 4.444
80 HA ILE 9 HA ILE 9 30.457 4.488 5.437
81 HB ILE 9 HB ILE 9 29.377 5.104 7.373
82 HG12 ILE 9 HG12 ILE 9 29.319 2.438 6.877
83 HG13 ILE 9 HG11 ILE 9 28.788 3.154 8.385
84 HG21 ILE 9 HG21 ILE 9 26.805 4.799 5.839
85 HG22 ILE 9 HG22 ILE 9 27.525 6.263 6.506
86 HG23 ILE 9 HG23 ILE 9 26.845 5.053 7.586
87 HD11 ILE 9 HD11 ILE 9 27.178 1.485 7.289
88 HD12 ILE 9 HD12 ILE 9 26.866 2.733 6.091
89 HD13 ILE 9 HD13 ILE 9 26.496 3.030 7.784
90 H ALA 10 HN ALA 10 27.193 4.019 4.136
91 HA ALA 10 HA ALA 10 27.476 1.198 3.773
92 HB1 ALA 10 HB1 ALA 10 25.280 2.330 3.885
93 HB2 ALA 10 HB2 ALA 10 25.457 1.383 2.410
94 HB3 ALA 10 HB3 ALA 10 25.632 3.138 2.358
95 H GLY 11 HN GLY 11 27.193 3.730 1.262
96 HA2 GLY 11 HA2 GLY 11 28.123 2.240 -0.878
97 HA3 GLY 11 HA1 GLY 11 28.315 3.988 -0.742
98 H LEU 12 HN LEU 12 29.754 3.255 1.907
99 HA LEU 12 HA LEU 12 32.398 2.978 0.668
100 HB2 LEU 12 HB2 LEU 12 31.817 4.941 2.203
101 HB3 LEU 12 HB1 LEU 12 31.832 3.771 3.522
102 HG LEU 12 HG LEU 12 34.165 3.105 2.387
103 HD11 LEU 12 HD11 LEU 12 35.319 5.021 1.486
104 HD12 LEU 12 HD12 LEU 12 33.965 6.084 1.869
105 HD13 LEU 12 HD13 LEU 12 33.799 4.867 0.604
106 HD21 LEU 12 HD21 LEU 12 33.942 3.754 4.713
107 HD22 LEU 12 HD22 LEU 12 33.646 5.434 4.262
108 HD23 LEU 12 HD23 LEU 12 35.237 4.718 4.003
109 H VAL 13 HN VAL 13 30.146 1.438 2.832
110 HA VAL 13 HA VAL 13 32.133 -0.695 3.364
111 HB VAL 13 HB VAL 13 29.741 0.095 5.044
112 HG11 VAL 13 HG11 VAL 13 31.856 -2.054 5.312
113 HG12 VAL 13 HG12 VAL 13 30.105 -2.264 5.258
114 HG13 VAL 13 HG13 VAL 13 30.860 -1.517 6.665
115 HG21 VAL 13 HG21 VAL 13 31.935 1.554 4.951
116 HG22 VAL 13 HG22 VAL 13 32.622 0.235 5.898
117 HG23 VAL 13 HG23 VAL 13 31.236 1.134 6.516
118 H ALA 14 HN ALA 14 28.597 -0.207 3.121
119 HA ALA 14 HA ALA 14 27.768 -2.786 2.767
120 HB1 ALA 14 HB1 ALA 14 26.792 -0.440 1.118
121 HB2 ALA 14 HB2 ALA 14 26.275 -0.788 2.768
122 HB3 ALA 14 HB3 ALA 14 25.901 -1.922 1.469
123 H LEU 15 HN LEU 15 29.242 -0.677 0.325
124 HA LEU 15 HA LEU 15 28.996 -2.559 -1.806
125 HB2 LEU 15 HB2 LEU 15 29.347 -0.115 -2.158
126 HB3 LEU 15 HB1 LEU 15 30.975 -0.282 -1.505
127 HG LEU 15 HG LEU 15 31.515 -1.911 -3.301
128 HD11 LEU 15 HD11 LEU 15 28.622 -1.473 -3.911
129 HD12 LEU 15 HD12 LEU 15 29.587 -2.943 -4.043
130 HD13 LEU 15 HD13 LEU 15 29.720 -1.688 -5.274
131 HD21 LEU 15 HD21 LEU 15 32.185 0.281 -3.834
132 HD22 LEU 15 HD22 LEU 15 30.523 0.848 -3.995
133 HD23 LEU 15 HD23 LEU 15 31.223 -0.192 -5.234
134 H LEU 16 HN LEU 16 31.354 -1.936 0.702
135 HA LEU 16 HA LEU 16 33.239 -3.872 -0.405
136 HB2 LEU 16 HB2 LEU 16 33.454 -2.435 2.239
137 HB3 LEU 16 HB1 LEU 16 34.752 -3.141 1.274
138 HG LEU 16 HG LEU 16 33.062 -0.735 0.540
139 HD11 LEU 16 HD11 LEU 16 34.983 -0.518 2.231
140 HD12 LEU 16 HD12 LEU 16 35.060 0.533 0.815
141 HD13 LEU 16 HD13 LEU 16 36.059 -0.918 0.892
142 HD21 LEU 16 HD21 LEU 16 34.806 -0.693 -1.392
143 HD22 LEU 16 HD22 LEU 16 33.450 -1.814 -1.516
144 HD23 LEU 16 HD23 LEU 16 35.035 -2.401 -1.014
145 H THR 17 HN THR 17 30.458 -4.006 1.352
146 HA THR 17 HA THR 17 31.322 -6.416 2.832
147 HB THR 17 HB THR 17 29.414 -4.226 3.537
148 HG1 THR 17 HG1 THR 17 31.328 -4.122 4.558
149 HG21 THR 17 HG21 THR 17 27.916 -6.036 3.761
150 HG22 THR 17 HG22 THR 17 28.616 -5.870 5.371
151 HG23 THR 17 HG23 THR 17 29.190 -7.136 4.288
152 H PHE 18 HN PHE 18 28.330 -4.969 1.524
153 HA PHE 18 HA PHE 18 26.800 -7.224 1.264
154 HB2 PHE 18 HB2 PHE 18 26.296 -4.741 0.655
155 HB3 PHE 18 HB1 PHE 18 26.836 -5.207 -0.959
156 HD1 PHE 18 HD1 PHE 18 24.330 -5.828 1.690
157 HD2 PHE 18 HD2 PHE 18 25.546 -6.722 -2.331
158 HE1 PHE 18 HE1 PHE 18 22.129 -6.883 1.257
159 HE2 PHE 18 HE2 PHE 18 23.347 -7.776 -2.764
160 HZ PHE 18 HZ PHE 18 21.634 -7.857 -0.970
161 H LEU 19 HN LEU 19 29.334 -6.093 -0.935
162 HA LEU 19 HA LEU 19 28.862 -8.174 -2.873
163 HB2 LEU 19 HB2 LEU 19 30.987 -6.077 -2.492
164 HB3 LEU 19 HB1 LEU 19 31.175 -7.337 -3.708
165 HG LEU 19 HG LEU 19 30.112 -5.210 -4.567
166 HD11 LEU 19 HD11 LEU 19 29.444 -7.874 -5.117
167 HD12 LEU 19 HD12 LEU 19 29.062 -6.473 -6.116
168 HD13 LEU 19 HD13 LEU 19 27.891 -7.061 -4.938
169 HD21 LEU 19 HD21 LEU 19 28.816 -4.900 -2.375
170 HD22 LEU 19 HD22 LEU 19 27.694 -6.108 -2.998
171 HD23 LEU 19 HD23 LEU 19 27.925 -4.591 -3.865
172 H ALA 20 HN ALA 20 30.451 -8.043 0.120
173 HA ALA 20 HA ALA 20 32.279 -10.242 -0.565
174 HB1 ALA 20 HB1 ALA 20 32.444 -8.043 1.204
175 HB2 ALA 20 HB2 ALA 20 33.622 -9.335 0.980
176 HB3 ALA 20 HB3 ALA 20 32.366 -9.490 2.207
177 H PHE 21 HN PHE 21 29.695 -9.434 1.737
178 HA PHE 21 HA PHE 21 29.542 -12.160 2.708
179 HB2 PHE 21 HB2 PHE 21 27.922 -9.668 3.245
180 HB3 PHE 21 HB1 PHE 21 27.546 -11.233 3.967
181 HD1 PHE 21 HD1 PHE 21 30.458 -8.922 3.448
182 HD2 PHE 21 HD2 PHE 21 28.538 -11.788 6.007
183 HE1 PHE 21 HE1 PHE 21 32.184 -8.527 5.183
184 HE2 PHE 21 HE2 PHE 21 30.265 -11.395 7.743
185 HZ PHE 21 HZ PHE 21 32.087 -9.765 7.329
186 H GLY 22 HN GLY 22 27.809 -10.056 0.491
187 HA2 GLY 22 HA2 GLY 22 25.540 -11.742 0.127
188 HA3 GLY 22 HA1 GLY 22 26.046 -10.439 -0.944
189 H PHE 23 HN PHE 23 28.437 -11.174 -1.908
190 HA PHE 23 HA PHE 23 27.860 -13.038 -3.885
191 HB2 PHE 23 HB2 PHE 23 29.660 -11.595 -4.326
192 HB3 PHE 23 HB1 PHE 23 30.432 -11.948 -2.779
193 HD1 PHE 23 HD1 PHE 23 29.464 -13.494 -6.032
194 HD2 PHE 23 HD2 PHE 23 31.993 -13.692 -2.568
195 HE1 PHE 23 HE1 PHE 23 30.748 -15.339 -7.075
196 HE2 PHE 23 HE2 PHE 23 33.277 -15.536 -3.611
197 HZ PHE 23 HZ PHE 23 32.654 -16.364 -5.866
198 H TRP 24 HN TRP 24 28.475 -13.538 -0.617
199 HA TRP 24 HA TRP 24 29.389 -16.307 -1.041
200 HB2 TRP 24 HB2 TRP 24 30.819 -15.113 0.466
201 HB3 TRP 24 HB1 TRP 24 29.439 -14.501 1.378
202 HD1 TRP 24 HD1 TRP 24 30.578 -18.034 0.283
203 HE1 TRP 24 HE1 TRP 24 30.368 -19.607 2.318
204 HE3 TRP 24 HE3 TRP 24 28.855 -14.736 3.758
205 HZ2 TRP 24 HZ2 TRP 24 29.572 -19.477 5.058
206 HZ3 TRP 24 HZ3 TRP 24 28.377 -15.478 6.079
207 HH2 TRP 24 HH2 TRP 24 28.733 -17.844 6.730
208 H LEU 25 HN LEU 25 27.367 -14.630 1.347
209 HA LEU 25 HA LEU 25 25.860 -16.577 2.378
210 HB2 LEU 25 HB2 LEU 25 25.215 -13.784 1.582
211 HB3 LEU 25 HB1 LEU 25 23.870 -14.819 2.065
212 HG LEU 25 HG LEU 25 26.375 -14.666 3.730
213 HD11 LEU 25 HD11 LEU 25 25.307 -12.899 5.066
214 HD12 LEU 25 HD12 LEU 25 23.953 -12.852 3.937
215 HD13 LEU 25 HD13 LEU 25 25.561 -12.353 3.409
216 HD21 LEU 25 HD21 LEU 25 24.115 -16.240 3.885
217 HD22 LEU 25 HD22 LEU 25 23.715 -14.913 4.974
218 HD23 LEU 25 HD23 LEU 25 25.173 -15.867 5.244
219 H PHE 26 HN PHE 26 24.934 -14.976 -0.694
220 HA PHE 26 HA PHE 26 22.839 -16.850 -1.186
221 HB2 PHE 26 HB2 PHE 26 24.100 -15.128 -3.295
222 HB3 PHE 26 HB1 PHE 26 22.424 -15.663 -3.164
223 HD1 PHE 26 HD1 PHE 26 21.459 -15.087 -0.622
224 HD2 PHE 26 HD2 PHE 26 24.378 -12.861 -2.850
225 HE1 PHE 26 HE1 PHE 26 20.895 -13.057 0.673
226 HE2 PHE 26 HE2 PHE 26 23.816 -10.823 -1.550
227 HZ PHE 26 HZ PHE 26 22.078 -10.923 0.215
228 H LYS 27 HN LYS 27 26.219 -16.850 -1.822
229 HA LYS 27 HA LYS 27 25.874 -19.094 -3.724
230 HB2 LYS 27 HB2 LYS 27 28.497 -17.705 -3.233
231 HB3 LYS 27 HB1 LYS 27 27.966 -18.591 -4.658
232 HG2 LYS 27 HG2 LYS 27 26.796 -15.939 -3.748
233 HG3 LYS 27 HG1 LYS 27 28.016 -16.110 -5.001
234 HD2 LYS 27 HD2 LYS 27 25.256 -17.361 -5.095
235 HD3 LYS 27 HD1 LYS 27 25.743 -15.909 -5.959
236 HE2 LYS 27 HE2 LYS 27 26.190 -17.403 -7.633
237 HE3 LYS 27 HE1 LYS 27 27.714 -17.583 -6.763
238 HZ1 LYS 27 HZ1 LYS 27 25.350 -19.344 -6.746
239 HZ2 LYS 27 HZ2 LYS 27 26.428 -19.347 -5.432
240 HZ3 LYS 27 HZ3 LYS 27 26.980 -19.743 -6.988
241 H TYR 28 HN TYR 28 25.568 -19.373 -0.843
242 HA TYR 28 HA TYR 28 27.380 -21.601 -0.494
243 HB2 TYR 28 HB2 TYR 28 28.931 -20.455 0.668
244 HB3 TYR 28 HB1 TYR 28 27.887 -19.046 0.836
245 HD1 TYR 28 HD1 TYR 28 28.145 -22.579 2.073
246 HD2 TYR 28 HD2 TYR 28 27.090 -18.511 2.966
247 HE1 TYR 28 HE1 TYR 28 27.658 -23.219 4.420
248 HE2 TYR 28 HE2 TYR 28 26.602 -19.152 5.310
249 HH TYR 28 HH TYR 28 27.646 -21.883 6.725
250 H LEU 29 HN LEU 29 25.172 -19.453 1.320
251 HA LEU 29 HA LEU 29 24.123 -21.676 2.854
252 HB2 LEU 29 HB2 LEU 29 24.229 -18.882 3.158
253 HB3 LEU 29 HB1 LEU 29 22.518 -19.276 2.991
254 HG LEU 29 HG LEU 29 24.443 -20.607 4.923
255 HD11 LEU 29 HD11 LEU 29 23.759 -18.203 5.412
256 HD12 LEU 29 HD12 LEU 29 23.330 -19.378 6.655
257 HD13 LEU 29 HD13 LEU 29 22.101 -18.790 5.535
258 HD21 LEU 29 HD21 LEU 29 21.819 -21.327 3.897
259 HD22 LEU 29 HD22 LEU 29 21.769 -21.080 5.643
260 HD23 LEU 29 HD23 LEU 29 22.893 -22.249 4.949
261 H GLN 30 HN GLN 30 22.963 -19.495 0.337
262 HA GLN 30 HA GLN 30 20.354 -20.602 0.120
263 HB2 GLN 30 HB2 GLN 30 20.753 -18.380 -0.645
264 HB3 GLN 30 HB1 GLN 30 22.068 -18.914 -1.675
265 HG2 GLN 30 HG2 GLN 30 20.689 -19.671 -3.318
266 HG3 GLN 30 HG1 GLN 30 19.421 -20.147 -2.182
267 HE21 GLN 30 HE21 GLN 30 20.781 -16.926 -1.875
268 HE22 GLN 30 HE22 GLN 30 19.445 -16.094 -2.509
269 H LYS 31 HN LYS 31 23.447 -21.600 -0.987
270 HA LYS 31 HA LYS 31 22.263 -23.424 -2.980
271 HB2 LYS 31 HB2 LYS 31 24.933 -22.163 -2.632
272 HB3 LYS 31 HB1 LYS 31 24.899 -23.791 -3.310
273 HG2 LYS 31 HG2 LYS 31 24.768 -22.013 -5.062
274 HG3 LYS 31 HG1 LYS 31 23.359 -23.076 -5.061
275 HD2 LYS 31 HD2 LYS 31 21.952 -21.441 -4.246
276 HD3 LYS 31 HD1 LYS 31 23.239 -20.632 -3.351
277 HE2 LYS 31 HE2 LYS 31 24.173 -19.749 -5.434
278 HE3 LYS 31 HE1 LYS 31 22.954 -20.613 -6.370
279 HZ1 LYS 31 HZ1 LYS 31 22.542 -18.377 -4.474
280 HZ2 LYS 31 HZ2 LYS 31 21.266 -19.346 -5.037
281 HZ3 LYS 31 HZ3 LYS 31 22.179 -18.419 -6.129
282 H LYS 32 HN LYS 32 24.456 -23.349 -0.185
283 HA LYS 32 HA LYS 32 25.200 -25.018 1.215
284 HB2 LYS 32 HB2 LYS 32 22.383 -25.074 1.094
285 HB3 LYS 32 HB1 LYS 32 22.908 -26.757 1.057
286 HG2 LYS 32 HG2 LYS 32 24.287 -26.394 3.056
287 HG3 LYS 32 HG1 LYS 32 23.823 -24.692 3.083
288 HD2 LYS 32 HD2 LYS 32 21.646 -26.742 3.049
289 HD3 LYS 32 HD1 LYS 32 22.526 -26.490 4.557
290 HE2 LYS 32 HE2 LYS 32 21.779 -24.309 4.793
291 HE3 LYS 32 HE1 LYS 32 21.557 -24.087 3.057
292 HZ1 LYS 32 HZ1 LYS 32 19.740 -25.850 3.319
293 HZ2 LYS 32 HZ2 LYS 32 19.411 -24.275 3.866
294 HZ3 LYS 32 HZ3 LYS 32 19.815 -25.495 4.976
Start of MODEL 47
1 H1 LYS 1 HT1 LYS 1 21.535 14.042 -6.136
2 H2 LYS 1 HT2 LYS 1 23.234 14.056 -6.176
3 H3 LYS 1 HT3 LYS 1 22.359 15.446 -6.613
4 HA LYS 1 HA LYS 1 23.004 15.988 -4.493
5 HB2 LYS 1 HB2 LYS 1 20.467 14.442 -3.926
6 HB3 LYS 1 HB1 LYS 1 21.018 15.937 -3.171
7 HG2 LYS 1 HG2 LYS 1 20.145 15.593 -6.054
8 HG3 LYS 1 HG1 LYS 1 19.275 16.464 -4.791
9 HD2 LYS 1 HD2 LYS 1 21.466 17.855 -4.565
10 HD3 LYS 1 HD1 LYS 1 21.850 17.212 -6.161
11 HE2 LYS 1 HE2 LYS 1 19.346 17.986 -6.667
12 HE3 LYS 1 HE1 LYS 1 19.688 19.108 -5.350
13 HZ1 LYS 1 HZ1 LYS 1 21.151 20.244 -6.586
14 HZ2 LYS 1 HZ2 LYS 1 20.354 19.534 -7.908
15 HZ3 LYS 1 HZ3 LYS 1 21.794 18.855 -7.316
16 H LYS 2 HN LYS 2 23.598 15.370 -2.338
17 HA LYS 2 HA LYS 2 24.660 12.661 -2.218
18 HB2 LYS 2 HB2 LYS 2 26.075 14.581 -1.565
19 HB3 LYS 2 HB1 LYS 2 24.936 14.975 -0.281
20 HG2 LYS 2 HG2 LYS 2 26.830 13.703 0.624
21 HG3 LYS 2 HG1 LYS 2 25.348 12.761 0.759
22 HD2 LYS 2 HD2 LYS 2 26.024 11.220 -0.806
23 HD3 LYS 2 HD1 LYS 2 26.934 12.410 -1.739
24 HE2 LYS 2 HE2 LYS 2 27.867 11.637 1.011
25 HE3 LYS 2 HE1 LYS 2 28.238 10.599 -0.367
26 HZ1 LYS 2 HZ1 LYS 2 29.679 12.077 -1.201
27 HZ2 LYS 2 HZ2 LYS 2 29.712 12.707 0.376
28 HZ3 LYS 2 HZ3 LYS 2 28.717 13.417 -0.804
29 H HIS 3 HN HIS 3 24.060 11.099 -0.775
30 HA HIS 3 HA HIS 3 21.408 11.344 0.363
31 HB2 HIS 3 HB2 HIS 3 22.334 9.274 -0.790
32 HB3 HIS 3 HB1 HIS 3 23.313 9.019 0.653
33 HD2 HIS 3 HD2 HIS 3 21.688 6.720 1.306
34 HE1 HIS 3 HE1 HIS 3 18.254 8.981 2.260
35 HE2 HIS 3 HE2 HIS 3 19.309 6.674 2.381
36 H THR 4 HN THR 4 21.360 9.988 2.638
37 HA THR 4 HA THR 4 22.168 11.787 4.605
38 HB THR 4 HB THR 4 20.450 10.234 5.153
39 HG1 THR 4 HG1 THR 4 21.809 8.918 6.837
40 HG21 THR 4 HG21 THR 4 22.242 8.364 3.829
41 HG22 THR 4 HG22 THR 4 20.509 8.232 4.127
42 HG23 THR 4 HG23 THR 4 21.656 7.722 5.362
43 H ILE 5 HN ILE 5 23.284 8.769 5.588
44 HA ILE 5 HA ILE 5 26.091 9.675 5.393
45 HB ILE 5 HB ILE 5 26.356 8.044 7.379
46 HG12 ILE 5 HG12 ILE 5 23.567 8.654 8.122
47 HG13 ILE 5 HG11 ILE 5 23.726 7.481 6.814
48 HG21 ILE 5 HG21 ILE 5 26.642 10.344 7.818
49 HG22 ILE 5 HG22 ILE 5 25.364 9.867 8.935
50 HG23 ILE 5 HG23 ILE 5 24.959 10.716 7.443
51 HD11 ILE 5 HD11 ILE 5 25.044 6.019 8.136
52 HD12 ILE 5 HD12 ILE 5 23.740 6.543 9.204
53 HD13 ILE 5 HD13 ILE 5 25.344 7.262 9.350
54 H TRP 6 HN TRP 6 23.817 7.183 4.664
55 HA TRP 6 HA TRP 6 25.269 4.889 4.417
56 HB2 TRP 6 HB2 TRP 6 22.924 5.999 3.160
57 HB3 TRP 6 HB1 TRP 6 23.867 5.087 1.981
58 HD1 TRP 6 HD1 TRP 6 22.642 2.846 1.853
59 HE1 TRP 6 HE1 TRP 6 21.977 1.025 3.546
60 HE3 TRP 6 HE3 TRP 6 23.825 5.228 6.204
61 HZ2 TRP 6 HZ2 TRP 6 21.953 0.633 6.374
62 HZ3 TRP 6 HZ3 TRP 6 23.472 4.109 8.386
63 HH2 TRP 6 HH2 TRP 6 22.537 1.815 8.478
64 H GLU 7 HN GLU 7 24.957 7.203 1.710
65 HA GLU 7 HA GLU 7 26.921 6.114 0.086
66 HB2 GLU 7 HB2 GLU 7 25.896 8.919 0.420
67 HB3 GLU 7 HB1 GLU 7 27.149 8.538 -0.760
68 HG2 GLU 7 HG2 GLU 7 25.629 6.781 -1.716
69 HG3 GLU 7 HG1 GLU 7 24.370 7.336 -0.614
70 H VAL 8 HN VAL 8 27.383 7.412 3.139
71 HA VAL 8 HA VAL 8 30.164 8.201 2.563
72 HB VAL 8 HB VAL 8 28.787 8.592 5.210
73 HG11 VAL 8 HG11 VAL 8 30.554 9.986 5.676
74 HG12 VAL 8 HG12 VAL 8 30.751 10.471 3.991
75 HG13 VAL 8 HG13 VAL 8 31.361 8.908 4.536
76 HG21 VAL 8 HG21 VAL 8 28.131 10.835 4.432
77 HG22 VAL 8 HG22 VAL 8 27.361 9.601 3.437
78 HG23 VAL 8 HG23 VAL 8 28.767 10.473 2.828
79 H ILE 9 HN ILE 9 28.193 6.017 4.520
80 HA ILE 9 HA ILE 9 30.649 4.593 5.317
81 HB ILE 9 HB ILE 9 29.730 5.207 7.331
82 HG12 ILE 9 HG12 ILE 9 29.548 2.549 6.826
83 HG13 ILE 9 HG11 ILE 9 29.150 3.270 8.372
84 HG21 ILE 9 HG21 ILE 9 27.221 5.240 7.726
85 HG22 ILE 9 HG22 ILE 9 27.045 5.002 5.985
86 HG23 ILE 9 HG23 ILE 9 27.861 6.434 6.605
87 HD11 ILE 9 HD11 ILE 9 27.411 1.664 7.383
88 HD12 ILE 9 HD12 ILE 9 27.056 2.933 6.219
89 HD13 ILE 9 HD13 ILE 9 26.818 3.226 7.937
90 H ALA 10 HN ALA 10 27.290 4.194 4.255
91 HA ALA 10 HA ALA 10 27.495 1.371 3.848
92 HB1 ALA 10 HB1 ALA 10 25.374 1.585 2.680
93 HB2 ALA 10 HB2 ALA 10 25.580 3.333 2.564
94 HB3 ALA 10 HB3 ALA 10 25.336 2.573 4.138
95 H GLY 11 HN GLY 11 27.063 3.938 1.396
96 HA2 GLY 11 HA2 GLY 11 27.802 2.460 -0.827
97 HA3 GLY 11 HA1 GLY 11 28.031 4.203 -0.686
98 H LEU 12 HN LEU 12 29.654 3.389 1.840
99 HA LEU 12 HA LEU 12 32.190 3.091 0.398
100 HB2 LEU 12 HB2 LEU 12 31.766 5.046 1.992
101 HB3 LEU 12 HB1 LEU 12 31.855 3.860 3.295
102 HG LEU 12 HG LEU 12 34.086 3.168 1.982
103 HD11 LEU 12 HD11 LEU 12 33.585 4.992 0.268
104 HD12 LEU 12 HD12 LEU 12 35.195 5.043 0.988
105 HD13 LEU 12 HD13 LEU 12 33.946 6.160 1.539
106 HD21 LEU 12 HD21 LEU 12 35.313 4.664 3.555
107 HD22 LEU 12 HD22 LEU 12 33.977 3.825 4.342
108 HD23 LEU 12 HD23 LEU 12 33.807 5.519 3.884
109 H VAL 13 HN VAL 13 30.089 1.568 2.724
110 HA VAL 13 HA VAL 13 32.083 -0.590 3.108
111 HB VAL 13 HB VAL 13 29.778 0.204 4.902
112 HG11 VAL 13 HG11 VAL 13 30.932 -1.475 6.439
113 HG12 VAL 13 HG12 VAL 13 31.823 -2.022 5.018
114 HG13 VAL 13 HG13 VAL 13 30.066 -2.163 5.065
115 HG21 VAL 13 HG21 VAL 13 32.696 0.237 5.631
116 HG22 VAL 13 HG22 VAL 13 31.368 1.164 6.328
117 HG23 VAL 13 HG23 VAL 13 32.009 1.598 4.745
118 H ALA 14 HN ALA 14 28.549 -0.074 2.986
119 HA ALA 14 HA ALA 14 27.669 -2.636 2.649
120 HB1 ALA 14 HB1 ALA 14 26.175 -0.672 2.698
121 HB2 ALA 14 HB2 ALA 14 25.808 -1.722 1.331
122 HB3 ALA 14 HB3 ALA 14 26.712 -0.229 1.077
123 H LEU 15 HN LEU 15 28.912 -0.503 0.077
124 HA LEU 15 HA LEU 15 28.666 -2.414 -1.998
125 HB2 LEU 15 HB2 LEU 15 28.969 0.025 -2.389
126 HB3 LEU 15 HB1 LEU 15 30.619 -0.103 -1.781
127 HG LEU 15 HG LEU 15 31.142 -1.735 -3.580
128 HD11 LEU 15 HD11 LEU 15 29.285 -1.583 -5.496
129 HD12 LEU 15 HD12 LEU 15 28.222 -1.371 -4.106
130 HD13 LEU 15 HD13 LEU 15 29.214 -2.822 -4.243
131 HD21 LEU 15 HD21 LEU 15 30.828 -0.067 -5.512
132 HD22 LEU 15 HD22 LEU 15 31.704 0.518 -4.097
133 HD23 LEU 15 HD23 LEU 15 30.014 0.966 -4.335
134 H LEU 16 HN LEU 16 31.078 -1.789 0.439
135 HA LEU 16 HA LEU 16 32.923 -3.743 -0.732
136 HB2 LEU 16 HB2 LEU 16 33.338 -2.168 1.804
137 HB3 LEU 16 HB1 LEU 16 34.557 -2.907 0.764
138 HG LEU 16 HG LEU 16 32.785 -0.544 0.086
139 HD11 LEU 16 HD11 LEU 16 34.753 0.754 0.166
140 HD12 LEU 16 HD12 LEU 16 35.798 -0.663 0.067
141 HD13 LEU 16 HD13 LEU 16 34.917 -0.319 1.555
142 HD21 LEU 16 HD21 LEU 16 32.968 -1.726 -1.948
143 HD22 LEU 16 HD22 LEU 16 34.605 -2.272 -1.588
144 HD23 LEU 16 HD23 LEU 16 34.313 -0.588 -2.019
145 H THR 17 HN THR 17 30.225 -3.997 0.959
146 HA THR 17 HA THR 17 31.229 -6.246 2.590
147 HB THR 17 HB THR 17 29.390 -4.020 3.344
148 HG1 THR 17 HG1 THR 17 31.738 -4.857 4.036
149 HG21 THR 17 HG21 THR 17 29.147 -6.900 4.210
150 HG22 THR 17 HG22 THR 17 27.869 -5.797 3.698
151 HG23 THR 17 HG23 THR 17 28.648 -5.579 5.264
152 H PHE 18 HN PHE 18 28.175 -4.854 1.378
153 HA PHE 18 HA PHE 18 26.542 -7.011 1.335
154 HB2 PHE 18 HB2 PHE 18 26.225 -4.600 0.352
155 HB3 PHE 18 HB1 PHE 18 26.691 -5.365 -1.167
156 HD1 PHE 18 HD1 PHE 18 24.355 -5.749 1.731
157 HD2 PHE 18 HD2 PHE 18 25.102 -6.567 -2.418
158 HE1 PHE 18 HE1 PHE 18 22.066 -6.678 1.502
159 HE2 PHE 18 HE2 PHE 18 22.815 -7.498 -2.647
160 HZ PHE 18 HZ PHE 18 21.296 -7.552 -0.688
161 H LEU 19 HN LEU 19 29.003 -6.279 -1.130
162 HA LEU 19 HA LEU 19 28.478 -8.662 -2.647
163 HB2 LEU 19 HB2 LEU 19 30.618 -6.549 -2.678
164 HB3 LEU 19 HB1 LEU 19 30.801 -8.011 -3.642
165 HG LEU 19 HG LEU 19 29.729 -6.078 -4.868
166 HD11 LEU 19 HD11 LEU 19 29.056 -8.802 -4.909
167 HD12 LEU 19 HD12 LEU 19 28.692 -7.613 -6.158
168 HD13 LEU 19 HD13 LEU 19 27.508 -7.958 -4.898
169 HD21 LEU 19 HD21 LEU 19 28.442 -5.362 -2.775
170 HD22 LEU 19 HD22 LEU 19 27.327 -6.680 -3.135
171 HD23 LEU 19 HD23 LEU 19 27.531 -5.359 -4.285
172 H ALA 20 HN ALA 20 31.126 -7.650 -0.481
173 HA ALA 20 HA ALA 20 32.728 -9.872 -0.547
174 HB1 ALA 20 HB1 ALA 20 32.391 -9.050 2.199
175 HB2 ALA 20 HB2 ALA 20 32.434 -7.642 1.138
176 HB3 ALA 20 HB3 ALA 20 33.765 -8.798 1.122
177 H PHE 21 HN PHE 21 29.963 -9.402 1.668
178 HA PHE 21 HA PHE 21 30.075 -12.153 2.545
179 HB2 PHE 21 HB2 PHE 21 28.130 -9.901 3.073
180 HB3 PHE 21 HB1 PHE 21 27.960 -11.514 3.765
181 HD1 PHE 21 HD1 PHE 21 30.415 -8.708 3.423
182 HD2 PHE 21 HD2 PHE 21 29.095 -12.074 5.743
183 HE1 PHE 21 HE1 PHE 21 32.039 -8.120 5.201
184 HE2 PHE 21 HE2 PHE 21 30.720 -11.485 7.520
185 HZ PHE 21 HZ PHE 21 32.193 -9.508 7.251
186 H GLY 22 HN GLY 22 27.951 -10.182 0.494
187 HA2 GLY 22 HA2 GLY 22 25.920 -11.980 -0.035
188 HA3 GLY 22 HA1 GLY 22 26.508 -10.799 -1.199
189 H PHE 23 HN PHE 23 29.003 -11.633 -1.792
190 HA PHE 23 HA PHE 23 28.670 -13.600 -3.702
191 HB2 PHE 23 HB2 PHE 23 30.644 -12.514 -4.065
192 HB3 PHE 23 HB1 PHE 23 31.000 -12.366 -2.343
193 HD1 PHE 23 HD1 PHE 23 30.832 -14.848 -5.131
194 HD2 PHE 23 HD2 PHE 23 32.471 -13.870 -1.283
195 HE1 PHE 23 HE1 PHE 23 32.327 -16.821 -5.267
196 HE2 PHE 23 HE2 PHE 23 33.967 -15.843 -1.420
197 HZ PHE 23 HZ PHE 23 33.896 -17.319 -3.412
198 H TRP 24 HN TRP 24 29.048 -13.939 -0.295
199 HA TRP 24 HA TRP 24 29.617 -16.813 -0.539
200 HB2 TRP 24 HB2 TRP 24 31.104 -15.791 1.002
201 HB3 TRP 24 HB1 TRP 24 29.800 -14.875 1.762
202 HD1 TRP 24 HD1 TRP 24 30.553 -18.597 1.071
203 HE1 TRP 24 HE1 TRP 24 29.850 -19.965 3.145
204 HE3 TRP 24 HE3 TRP 24 28.759 -14.850 4.013
205 HZ2 TRP 24 HZ2 TRP 24 28.677 -19.517 5.711
206 HZ3 TRP 24 HZ3 TRP 24 27.851 -15.339 6.270
207 HH2 TRP 24 HH2 TRP 24 27.808 -17.666 7.121
208 H LEU 25 HN LEU 25 27.614 -14.735 1.548
209 HA LEU 25 HA LEU 25 25.911 -16.375 2.719
210 HB2 LEU 25 HB2 LEU 25 25.490 -13.741 1.444
211 HB3 LEU 25 HB1 LEU 25 24.041 -14.632 1.899
212 HG LEU 25 HG LEU 25 26.324 -14.362 3.842
213 HD11 LEU 25 HD11 LEU 25 25.794 -12.079 3.065
214 HD12 LEU 25 HD12 LEU 25 25.278 -12.320 4.734
215 HD13 LEU 25 HD13 LEU 25 24.091 -12.354 3.431
216 HD21 LEU 25 HD21 LEU 25 23.323 -14.759 4.081
217 HD22 LEU 25 HD22 LEU 25 24.363 -14.419 5.460
218 HD23 LEU 25 HD23 LEU 25 24.593 -15.899 4.534
219 H PHE 26 HN PHE 26 25.396 -15.395 -0.674
220 HA PHE 26 HA PHE 26 23.199 -17.200 -1.003
221 HB2 PHE 26 HB2 PHE 26 24.811 -16.043 -3.260
222 HB3 PHE 26 HB1 PHE 26 23.088 -16.410 -3.213
223 HD1 PHE 26 HD2 PHE 26 22.011 -15.233 -0.886
224 HD2 PHE 26 HD1 PHE 26 25.200 -13.746 -3.352
225 HE1 PHE 26 HE2 PHE 26 21.533 -12.931 -0.115
226 HE2 PHE 26 HE1 PHE 26 24.722 -11.439 -2.575
227 HZ PHE 26 HZ PHE 26 22.891 -11.034 -0.955
228 H LYS 27 HN LYS 27 26.413 -17.202 -2.577
229 HA LYS 27 HA LYS 27 26.227 -19.701 -3.745
230 HB2 LYS 27 HB2 LYS 27 28.541 -18.050 -2.810
231 HB3 LYS 27 HB1 LYS 27 28.820 -19.677 -3.436
232 HG2 LYS 27 HG2 LYS 27 28.032 -19.146 -5.557
233 HG3 LYS 27 HG1 LYS 27 27.042 -17.813 -4.964
234 HD2 LYS 27 HD2 LYS 27 28.817 -16.334 -4.903
235 HD3 LYS 27 HD1 LYS 27 30.011 -17.611 -4.659
236 HE2 LYS 27 HE2 LYS 27 29.810 -16.406 -7.002
237 HE3 LYS 27 HE1 LYS 27 30.100 -18.144 -6.920
238 HZ1 LYS 27 HZ1 LYS 27 28.122 -17.060 -8.317
239 HZ2 LYS 27 HZ2 LYS 27 27.318 -17.307 -6.841
240 HZ3 LYS 27 HZ3 LYS 27 28.040 -18.617 -7.650
241 H TYR 28 HN TYR 28 25.988 -19.200 -0.492
242 HA TYR 28 HA TYR 28 26.967 -21.933 0.093
243 HB2 TYR 28 HB2 TYR 28 28.384 -21.007 1.557
244 HB3 TYR 28 HB1 TYR 28 27.643 -19.419 1.381
245 HD1 TYR 28 HD2 TYR 28 26.887 -22.778 2.877
246 HD2 TYR 28 HD1 TYR 28 26.551 -18.514 3.223
247 HE1 TYR 28 HE2 TYR 28 25.795 -23.044 5.089
248 HE2 TYR 28 HE1 TYR 28 25.454 -18.772 5.431
249 HH TYR 28 HH TYR 28 25.621 -21.325 7.270
250 H LEU 29 HN LEU 29 24.633 -19.396 1.028
251 HA LEU 29 HA LEU 29 22.997 -21.432 2.352
252 HB2 LEU 29 HB2 LEU 29 22.205 -19.767 3.641
253 HB3 LEU 29 HB1 LEU 29 23.518 -18.811 2.983
254 HG LEU 29 HG LEU 29 21.901 -18.162 1.088
255 HD11 LEU 29 HD11 LEU 29 20.255 -20.027 2.483
256 HD12 LEU 29 HD12 LEU 29 19.814 -19.027 1.099
257 HD13 LEU 29 HD13 LEU 29 19.553 -18.429 2.736
258 HD21 LEU 29 HD21 LEU 29 22.562 -16.661 2.927
259 HD22 LEU 29 HD22 LEU 29 21.279 -17.328 3.934
260 HD23 LEU 29 HD23 LEU 29 20.875 -16.412 2.481
261 H GLN 30 HN GLN 30 22.991 -19.389 -0.506
262 HA GLN 30 HA GLN 30 20.290 -20.190 -1.235
263 HB2 GLN 30 HB2 GLN 30 20.992 -17.937 -1.796
264 HB3 GLN 30 HB1 GLN 30 22.374 -18.559 -2.696
265 HG2 GLN 30 HG2 GLN 30 21.086 -19.318 -4.452
266 HG3 GLN 30 HG1 GLN 30 19.651 -19.523 -3.450
267 HE21 GLN 30 HE21 GLN 30 21.213 -16.488 -2.924
268 HE22 GLN 30 HE22 GLN 30 20.174 -15.547 -3.878
269 H LYS 31 HN LYS 31 23.433 -21.415 -1.571
270 HA LYS 31 HA LYS 31 22.651 -23.075 -3.892
271 HB2 LYS 31 HB2 LYS 31 25.260 -22.000 -2.923
272 HB3 LYS 31 HB1 LYS 31 25.255 -23.561 -3.742
273 HG2 LYS 31 HG2 LYS 31 25.593 -21.631 -5.304
274 HG3 LYS 31 HG1 LYS 31 24.165 -22.592 -5.688
275 HD2 LYS 31 HD2 LYS 31 22.691 -20.963 -4.901
276 HD3 LYS 31 HD1 LYS 31 23.908 -20.224 -3.860
277 HE2 LYS 31 HE2 LYS 31 24.830 -18.994 -5.572
278 HE3 LYS 31 HE1 LYS 31 24.447 -20.211 -6.789
279 HZ1 LYS 31 HZ1 LYS 31 23.021 -18.405 -7.191
280 HZ2 LYS 31 HZ2 LYS 31 22.617 -18.239 -5.549
281 HZ3 LYS 31 HZ3 LYS 31 22.058 -19.577 -6.435
282 H LYS 32 HN LYS 32 24.274 -23.181 -0.729
283 HA LYS 32 HA LYS 32 24.703 -24.943 0.698
284 HB2 LYS 32 HB2 LYS 32 21.880 -24.980 -0.063
285 HB3 LYS 32 HB1 LYS 32 22.464 -26.552 0.485
286 HG2 LYS 32 HG2 LYS 32 23.351 -25.530 2.535
287 HG3 LYS 32 HG1 LYS 32 22.820 -23.941 1.986
288 HD2 LYS 32 HD2 LYS 32 20.777 -26.113 2.064
289 HD3 LYS 32 HD1 LYS 32 21.311 -25.446 3.607
290 HE2 LYS 32 HE2 LYS 32 20.402 -23.718 1.296
291 HE3 LYS 32 HE1 LYS 32 19.313 -24.273 2.567
292 HZ1 LYS 32 HZ1 LYS 32 21.133 -22.127 2.625
293 HZ2 LYS 32 HZ2 LYS 32 21.575 -23.256 3.814
294 HZ3 LYS 32 HZ3 LYS 32 20.010 -22.596 3.805
Start of MODEL 48
1 H1 LYS 1 HT1 LYS 1 20.492 16.316 -1.156
2 H2 LYS 1 HT2 LYS 1 19.840 14.890 -0.501
3 H3 LYS 1 HT3 LYS 1 18.927 16.322 -0.502
4 HA LYS 1 HA LYS 1 17.990 15.328 -2.295
5 HB2 LYS 1 HB2 LYS 1 19.056 17.436 -3.043
6 HB3 LYS 1 HB1 LYS 1 20.513 16.538 -3.470
7 HG2 LYS 1 HG2 LYS 1 19.423 15.368 -5.214
8 HG3 LYS 1 HG1 LYS 1 17.820 15.785 -4.604
9 HD2 LYS 1 HD2 LYS 1 17.976 18.012 -5.347
10 HD3 LYS 1 HD1 LYS 1 19.734 17.937 -5.488
11 HE2 LYS 1 HE2 LYS 1 18.596 17.858 -7.706
12 HE3 LYS 1 HE1 LYS 1 19.558 16.415 -7.386
13 HZ1 LYS 1 HZ1 LYS 1 17.559 15.564 -8.129
14 HZ2 LYS 1 HZ2 LYS 1 16.629 16.738 -7.327
15 HZ3 LYS 1 HZ3 LYS 1 17.373 15.490 -6.446
16 H LYS 2 HN LYS 2 21.493 14.663 -2.371
17 HA LYS 2 HA LYS 2 21.453 12.515 -4.158
18 HB2 LYS 2 HB2 LYS 2 23.509 13.657 -3.329
19 HB3 LYS 2 HB1 LYS 2 23.291 12.850 -1.776
20 HG2 LYS 2 HG2 LYS 2 23.085 10.867 -3.818
21 HG3 LYS 2 HG1 LYS 2 24.531 11.822 -4.141
22 HD2 LYS 2 HD2 LYS 2 23.847 10.585 -1.458
23 HD3 LYS 2 HD1 LYS 2 24.988 9.905 -2.617
24 HE2 LYS 2 HE2 LYS 2 25.667 12.649 -2.256
25 HE3 LYS 2 HE1 LYS 2 25.456 11.937 -0.656
26 HZ1 LYS 2 HZ1 LYS 2 27.305 11.122 -2.808
27 HZ2 LYS 2 HZ2 LYS 2 26.862 10.035 -1.578
28 HZ3 LYS 2 HZ3 LYS 2 27.656 11.487 -1.190
29 H HIS 3 HN HIS 3 21.923 12.124 -0.647
30 HA HIS 3 HA HIS 3 19.810 10.187 -0.408
31 HB2 HIS 3 HB2 HIS 3 21.697 8.927 -1.569
32 HB3 HIS 3 HB1 HIS 3 22.617 9.125 -0.078
33 HD2 HIS 3 HD2 HIS 3 22.288 6.208 0.206
34 HE1 HIS 3 HE1 HIS 3 18.247 6.529 1.382
35 HE2 HIS 3 HE2 HIS 3 20.243 4.965 1.246
36 H THR 4 HN THR 4 21.873 8.930 1.641
37 HA THR 4 HA THR 4 21.508 11.001 3.724
38 HB THR 4 HB THR 4 19.900 9.289 4.194
39 HG1 THR 4 HG1 THR 4 21.336 8.190 6.004
40 HG21 THR 4 HG21 THR 4 21.444 6.952 4.585
41 HG22 THR 4 HG22 THR 4 21.903 7.590 3.007
42 HG23 THR 4 HG23 THR 4 20.213 7.230 3.355
43 H ILE 5 HN ILE 5 22.823 8.191 4.935
44 HA ILE 5 HA ILE 5 25.564 9.272 4.697
45 HB ILE 5 HB ILE 5 25.904 7.853 6.827
46 HG12 ILE 5 HG12 ILE 5 23.071 8.313 7.491
47 HG13 ILE 5 HG11 ILE 5 23.328 7.055 6.282
48 HG21 ILE 5 HG21 ILE 5 26.044 10.095 7.297
49 HG22 ILE 5 HG22 ILE 5 24.512 9.770 8.106
50 HG23 ILE 5 HG23 ILE 5 24.522 10.465 6.487
51 HD11 ILE 5 HD11 ILE 5 24.921 7.154 8.843
52 HD12 ILE 5 HD12 ILE 5 24.737 5.803 7.726
53 HD13 ILE 5 HD13 ILE 5 23.379 6.305 8.734
54 H TRP 6 HN TRP 6 23.490 6.565 4.162
55 HA TRP 6 HA TRP 6 25.120 4.372 4.150
56 HB2 TRP 6 HB2 TRP 6 22.705 5.169 2.790
57 HB3 TRP 6 HB1 TRP 6 23.727 4.230 1.704
58 HD1 TRP 6 HD1 TRP 6 22.708 1.887 1.784
59 HE1 TRP 6 HE1 TRP 6 22.174 0.187 3.641
60 HE3 TRP 6 HE3 TRP 6 23.614 4.770 5.891
61 HZ2 TRP 6 HZ2 TRP 6 22.136 0.068 6.493
62 HZ3 TRP 6 HZ3 TRP 6 23.321 3.841 8.171
63 HH2 TRP 6 HH2 TRP 6 22.584 1.494 8.477
64 H GLU 7 HN GLU 7 24.731 6.585 1.371
65 HA GLU 7 HA GLU 7 26.716 5.465 -0.244
66 HB2 GLU 7 HB2 GLU 7 25.076 7.818 -0.226
67 HB3 GLU 7 HB1 GLU 7 26.717 8.248 -0.705
68 HG2 GLU 7 HG2 GLU 7 25.135 5.962 -1.907
69 HG3 GLU 7 HG1 GLU 7 25.271 7.562 -2.634
70 H VAL 8 HN VAL 8 27.074 7.054 2.707
71 HA VAL 8 HA VAL 8 29.821 7.918 2.101
72 HB VAL 8 HB VAL 8 28.342 8.403 4.682
73 HG11 VAL 8 HG11 VAL 8 30.951 8.799 4.009
74 HG12 VAL 8 HG12 VAL 8 30.083 9.788 5.182
75 HG13 VAL 8 HG13 VAL 8 30.250 10.340 3.516
76 HG21 VAL 8 HG21 VAL 8 27.680 10.587 3.724
77 HG22 VAL 8 HG22 VAL 8 26.961 9.258 2.816
78 HG23 VAL 8 HG23 VAL 8 28.363 10.110 2.171
79 H ILE 9 HN ILE 9 27.960 5.786 4.228
80 HA ILE 9 HA ILE 9 30.485 4.571 5.141
81 HB ILE 9 HB ILE 9 29.488 5.279 7.088
82 HG12 ILE 9 HG12 ILE 9 29.497 2.576 6.783
83 HG13 ILE 9 HG11 ILE 9 29.048 3.390 8.268
84 HG21 ILE 9 HG21 ILE 9 26.980 5.167 7.448
85 HG22 ILE 9 HG22 ILE 9 26.847 4.764 5.734
86 HG23 ILE 9 HG23 ILE 9 27.548 6.303 6.231
87 HD11 ILE 9 HD11 ILE 9 26.988 2.736 6.156
88 HD12 ILE 9 HD12 ILE 9 26.724 3.161 7.841
89 HD13 ILE 9 HD13 ILE 9 27.424 1.599 7.424
90 H ALA 10 HN ALA 10 27.160 3.823 4.126
91 HA ALA 10 HA ALA 10 27.623 1.011 3.920
92 HB1 ALA 10 HB1 ALA 10 25.490 0.935 2.776
93 HB2 ALA 10 HB2 ALA 10 25.535 2.677 2.501
94 HB3 ALA 10 HB3 ALA 10 25.366 2.045 4.139
95 H GLY 11 HN GLY 11 26.986 3.357 1.298
96 HA2 GLY 11 HA2 GLY 11 27.831 1.782 -0.820
97 HA3 GLY 11 HA1 GLY 11 27.916 3.543 -0.807
98 H LEU 12 HN LEU 12 29.610 3.023 1.764
99 HA LEU 12 HA LEU 12 32.157 2.826 0.317
100 HB2 LEU 12 HB2 LEU 12 31.588 4.882 1.722
101 HB3 LEU 12 HB1 LEU 12 31.767 3.837 3.133
102 HG LEU 12 HG LEU 12 34.035 3.233 1.714
103 HD11 LEU 12 HD11 LEU 12 34.984 5.212 0.799
104 HD12 LEU 12 HD12 LEU 12 33.731 6.232 1.504
105 HD13 LEU 12 HD13 LEU 12 33.340 5.160 0.159
106 HD21 LEU 12 HD21 LEU 12 33.628 5.423 3.777
107 HD22 LEU 12 HD22 LEU 12 35.182 4.694 3.375
108 HD23 LEU 12 HD23 LEU 12 33.915 3.717 4.118
109 H VAL 13 HN VAL 13 30.189 1.320 2.760
110 HA VAL 13 HA VAL 13 32.390 -0.565 3.374
111 HB VAL 13 HB VAL 13 29.934 0.133 5.000
112 HG11 VAL 13 HG11 VAL 13 32.045 -2.002 5.266
113 HG12 VAL 13 HG12 VAL 13 30.295 -2.150 5.437
114 HG13 VAL 13 HG13 VAL 13 31.241 -1.352 6.694
115 HG21 VAL 13 HG21 VAL 13 31.402 1.259 6.452
116 HG22 VAL 13 HG22 VAL 13 32.055 1.673 4.868
117 HG23 VAL 13 HG23 VAL 13 32.816 0.409 5.834
118 H ALA 14 HN ALA 14 28.838 -0.459 2.984
119 HA ALA 14 HA ALA 14 28.255 -3.124 2.862
120 HB1 ALA 14 HB1 ALA 14 26.857 -1.956 0.687
121 HB2 ALA 14 HB2 ALA 14 27.033 -0.707 1.918
122 HB3 ALA 14 HB3 ALA 14 26.266 -2.242 2.323
123 H LEU 15 HN LEU 15 29.433 -1.123 0.159
124 HA LEU 15 HA LEU 15 29.562 -3.208 -1.742
125 HB2 LEU 15 HB2 LEU 15 31.308 -0.737 -1.580
126 HB3 LEU 15 HB1 LEU 15 30.989 -1.707 -3.021
127 HG LEU 15 HG LEU 15 28.898 -0.207 -1.422
128 HD11 LEU 15 HD11 LEU 15 30.705 0.946 -3.070
129 HD12 LEU 15 HD12 LEU 15 29.044 1.520 -2.927
130 HD13 LEU 15 HD13 LEU 15 29.498 0.457 -4.258
131 HD21 LEU 15 HD21 LEU 15 27.697 -1.945 -2.391
132 HD22 LEU 15 HD22 LEU 15 28.803 -2.087 -3.756
133 HD23 LEU 15 HD23 LEU 15 27.647 -0.758 -3.694
134 H LEU 16 HN LEU 16 31.669 -2.173 0.817
135 HA LEU 16 HA LEU 16 33.779 -4.028 -0.020
136 HB2 LEU 16 HB2 LEU 16 33.812 -2.219 2.390
137 HB3 LEU 16 HB1 LEU 16 35.185 -2.926 1.534
138 HG LEU 16 HG LEU 16 33.286 -0.817 0.473
139 HD11 LEU 16 HD11 LEU 16 36.283 -0.644 0.802
140 HD12 LEU 16 HD12 LEU 16 35.188 -0.216 2.117
141 HD13 LEU 16 HD13 LEU 16 35.127 0.671 0.593
142 HD21 LEU 16 HD21 LEU 16 33.795 -2.135 -1.408
143 HD22 LEU 16 HD22 LEU 16 35.425 -2.487 -0.837
144 HD23 LEU 16 HD23 LEU 16 35.035 -0.881 -1.453
145 H THR 17 HN THR 17 30.966 -4.362 1.454
146 HA THR 17 HA THR 17 31.929 -6.548 3.158
147 HB THR 17 HB THR 17 30.141 -4.287 4.055
148 HG1 THR 17 HG1 THR 17 32.639 -5.342 4.714
149 HG21 THR 17 HG21 THR 17 30.438 -7.093 5.118
150 HG22 THR 17 HG22 THR 17 28.955 -6.191 4.796
151 HG23 THR 17 HG23 THR 17 29.971 -5.758 6.171
152 H PHE 18 HN PHE 18 28.763 -5.001 2.732
153 HA PHE 18 HA PHE 18 27.185 -7.221 2.623
154 HB2 PHE 18 HB2 PHE 18 26.574 -4.700 2.446
155 HB3 PHE 18 HB1 PHE 18 26.677 -4.963 0.707
156 HD1 PHE 18 HD1 PHE 18 25.224 -6.584 3.763
157 HD2 PHE 18 HD2 PHE 18 24.748 -5.676 -0.409
158 HE1 PHE 18 HE1 PHE 18 22.969 -7.616 3.795
159 HE2 PHE 18 HE2 PHE 18 22.495 -6.707 -0.377
160 HZ PHE 18 HZ PHE 18 21.604 -7.679 1.724
161 H LEU 19 HN LEU 19 29.028 -5.810 -0.056
162 HA LEU 19 HA LEU 19 28.070 -7.783 -1.948
163 HB2 LEU 19 HB2 LEU 19 30.002 -5.490 -2.044
164 HB3 LEU 19 HB1 LEU 19 30.003 -6.682 -3.339
165 HG LEU 19 HG LEU 19 28.514 -4.676 -3.754
166 HD11 LEU 19 HD11 LEU 19 28.023 -7.404 -4.254
167 HD12 LEU 19 HD12 LEU 19 27.290 -6.031 -5.079
168 HD13 LEU 19 HD13 LEU 19 26.486 -6.754 -3.687
169 HD21 LEU 19 HD21 LEU 19 27.815 -4.648 -1.274
170 HD22 LEU 19 HD22 LEU 19 26.683 -5.926 -1.706
171 HD23 LEU 19 HD23 LEU 19 26.556 -4.341 -2.467
172 H ALA 20 HN ALA 20 30.531 -7.622 0.399
173 HA ALA 20 HA ALA 20 32.297 -9.506 -0.953
174 HB1 ALA 20 HB1 ALA 20 33.852 -8.830 0.536
175 HB2 ALA 20 HB2 ALA 20 32.761 -9.051 1.903
176 HB3 ALA 20 HB3 ALA 20 32.706 -7.559 0.963
177 H PHE 21 HN PHE 21 30.184 -9.447 1.913
178 HA PHE 21 HA PHE 21 30.538 -12.304 2.332
179 HB2 PHE 21 HB2 PHE 21 28.859 -10.215 3.732
180 HB3 PHE 21 HB1 PHE 21 28.877 -11.919 4.186
181 HD1 PHE 21 HD1 PHE 21 31.036 -8.912 3.763
182 HD2 PHE 21 HD2 PHE 21 30.647 -12.828 5.484
183 HE1 PHE 21 HE1 PHE 21 33.107 -8.540 5.074
184 HE2 PHE 21 HE2 PHE 21 32.719 -12.456 6.796
185 HZ PHE 21 HZ PHE 21 33.948 -10.312 6.588
186 H GLY 22 HN GLY 22 28.009 -10.081 1.240
187 HA2 GLY 22 HA2 GLY 22 25.890 -11.898 1.011
188 HA3 GLY 22 HA1 GLY 22 26.077 -10.438 0.042
189 H PHE 23 HN PHE 23 28.372 -10.978 -1.379
190 HA PHE 23 HA PHE 23 27.437 -12.519 -3.507
191 HB2 PHE 23 HB2 PHE 23 29.136 -11.061 -4.116
192 HB3 PHE 23 HB1 PHE 23 30.118 -11.461 -2.705
193 HD1 PHE 23 HD1 PHE 23 28.744 -12.958 -5.845
194 HD2 PHE 23 HD2 PHE 23 31.847 -13.031 -2.875
195 HE1 PHE 23 HE1 PHE 23 29.972 -14.655 -7.170
196 HE2 PHE 23 HE2 PHE 23 33.073 -14.726 -4.200
197 HZ PHE 23 HZ PHE 23 32.136 -15.541 -6.350
198 H TRP 24 HN TRP 24 28.616 -13.496 -0.507
199 HA TRP 24 HA TRP 24 29.306 -16.180 -1.517
200 HB2 TRP 24 HB2 TRP 24 31.111 -15.232 -0.227
201 HB3 TRP 24 HB1 TRP 24 30.007 -14.807 1.083
202 HD1 TRP 24 HD1 TRP 24 30.774 -18.044 -0.889
203 HE1 TRP 24 HE1 TRP 24 30.920 -19.996 0.794
204 HE3 TRP 24 HE3 TRP 24 29.877 -15.528 3.447
205 HZ2 TRP 24 HZ2 TRP 24 30.684 -20.426 3.607
206 HZ3 TRP 24 HZ3 TRP 24 29.842 -16.726 5.619
207 HH2 TRP 24 HH2 TRP 24 30.243 -19.170 5.704
208 H LEU 25 HN LEU 25 28.176 -15.016 1.618
209 HA LEU 25 HA LEU 25 26.817 -16.955 2.706
210 HB2 LEU 25 HB2 LEU 25 26.150 -14.092 2.442
211 HB3 LEU 25 HB1 LEU 25 24.840 -15.132 3.000
212 HG LEU 25 HG LEU 25 27.603 -15.315 4.179
213 HD11 LEU 25 HD11 LEU 25 25.325 -13.573 5.166
214 HD12 LEU 25 HD12 LEU 25 26.793 -12.972 4.395
215 HD13 LEU 25 HD13 LEU 25 26.887 -13.787 5.955
216 HD21 LEU 25 HD21 LEU 25 26.656 -16.789 5.620
217 HD22 LEU 25 HD22 LEU 25 25.313 -16.855 4.480
218 HD23 LEU 25 HD23 LEU 25 25.241 -15.764 5.863
219 H PHE 26 HN PHE 26 25.104 -14.993 0.246
220 HA PHE 26 HA PHE 26 22.974 -16.883 0.092
221 HB2 PHE 26 HB2 PHE 26 23.604 -14.870 -2.052
222 HB3 PHE 26 HB1 PHE 26 22.031 -15.479 -1.541
223 HD1 PHE 26 HD1 PHE 26 21.789 -15.217 1.218
224 HD2 PHE 26 HD2 PHE 26 23.967 -12.648 -1.448
225 HE1 PHE 26 HE1 PHE 26 21.583 -13.360 2.841
226 HE2 PHE 26 HE2 PHE 26 23.764 -10.789 0.179
227 HZ PHE 26 HZ PHE 26 22.576 -11.146 2.324
228 H LYS 27 HN LYS 27 25.516 -15.985 -2.250
229 HA LYS 27 HA LYS 27 24.871 -18.010 -4.087
230 HB2 LYS 27 HB2 LYS 27 27.649 -16.875 -3.759
231 HB3 LYS 27 HB1 LYS 27 26.889 -17.475 -5.227
232 HG2 LYS 27 HG2 LYS 27 25.757 -15.081 -3.757
233 HG3 LYS 27 HG1 LYS 27 27.057 -14.904 -4.919
234 HD2 LYS 27 HD2 LYS 27 24.561 -16.404 -5.673
235 HD3 LYS 27 HD1 LYS 27 24.603 -14.646 -5.735
236 HE2 LYS 27 HE2 LYS 27 25.937 -14.622 -7.569
237 HE3 LYS 27 HE1 LYS 27 26.947 -15.939 -6.975
238 HZ1 LYS 27 HZ1 LYS 27 24.952 -17.406 -7.483
239 HZ2 LYS 27 HZ2 LYS 27 25.850 -16.827 -8.804
240 HZ3 LYS 27 HZ3 LYS 27 24.366 -16.105 -8.400
241 H TYR 28 HN TYR 28 25.606 -18.664 -1.079
242 HA TYR 28 HA TYR 28 26.971 -21.170 -1.793
243 HB2 TYR 28 HB2 TYR 28 28.830 -20.430 -0.750
244 HB3 TYR 28 HB1 TYR 28 27.982 -19.084 0.006
245 HD1 TYR 28 HD1 TYR 28 28.241 -22.815 0.185
246 HD2 TYR 28 HD2 TYR 28 27.551 -19.144 2.305
247 HE1 TYR 28 HE1 TYR 28 28.159 -24.066 2.328
248 HE2 TYR 28 HE2 TYR 28 27.470 -20.393 4.445
249 HH TYR 28 HH TYR 28 28.660 -23.267 4.941
250 H LEU 29 HN LEU 29 24.979 -19.348 0.483
251 HA LEU 29 HA LEU 29 24.095 -21.868 1.718
252 HB2 LEU 29 HB2 LEU 29 24.848 -19.610 2.946
253 HB3 LEU 29 HB1 LEU 29 23.138 -19.240 2.728
254 HG LEU 29 HG LEU 29 24.241 -21.746 4.034
255 HD11 LEU 29 HD11 LEU 29 24.594 -19.880 5.504
256 HD12 LEU 29 HD12 LEU 29 23.148 -20.712 6.078
257 HD13 LEU 29 HD13 LEU 29 22.995 -19.222 5.149
258 HD21 LEU 29 HD21 LEU 29 21.492 -20.805 3.285
259 HD22 LEU 29 HD22 LEU 29 21.692 -21.748 4.760
260 HD23 LEU 29 HD23 LEU 29 22.176 -22.427 3.208
261 H GLN 30 HN GLN 30 22.845 -19.003 0.059
262 HA GLN 30 HA GLN 30 20.103 -19.825 0.232
263 HB2 GLN 30 HB2 GLN 30 20.499 -17.503 -0.047
264 HB3 GLN 30 HB1 GLN 30 21.544 -17.770 -1.436
265 HG2 GLN 30 HG2 GLN 30 19.788 -18.245 -2.863
266 HG3 GLN 30 HG1 GLN 30 18.703 -18.696 -1.547
267 HE21 GLN 30 HE21 GLN 30 20.420 -15.820 -0.793
268 HE22 GLN 30 HE22 GLN 30 19.201 -14.718 -1.210
269 H LYS 31 HN LYS 31 22.719 -20.874 -1.631
270 HA LYS 31 HA LYS 31 20.883 -22.329 -3.421
271 HB2 LYS 31 HB2 LYS 31 23.386 -20.844 -4.255
272 HB3 LYS 31 HB1 LYS 31 22.531 -21.998 -5.279
273 HG2 LYS 31 HG2 LYS 31 21.230 -20.286 -5.963
274 HG3 LYS 31 HG1 LYS 31 20.536 -20.253 -4.343
275 HD2 LYS 31 HD2 LYS 31 22.321 -18.715 -3.607
276 HD3 LYS 31 HD1 LYS 31 22.997 -18.738 -5.237
277 HE2 LYS 31 HE2 LYS 31 21.440 -17.296 -6.031
278 HE3 LYS 31 HE1 LYS 31 20.129 -18.109 -5.179
279 HZ1 LYS 31 HZ1 LYS 31 20.218 -16.119 -4.082
280 HZ2 LYS 31 HZ2 LYS 31 21.902 -15.962 -4.249
281 HZ3 LYS 31 HZ3 LYS 31 21.256 -17.047 -3.112
282 H LYS 32 HN LYS 32 21.203 -24.151 -2.104
283 HA LYS 32 HA LYS 32 23.645 -25.615 -2.725
284 HB2 LYS 32 HB2 LYS 32 23.878 -26.267 -0.269
285 HB3 LYS 32 HB1 LYS 32 24.392 -24.633 -0.693
286 HG2 LYS 32 HG2 LYS 32 22.836 -23.716 0.653
287 HG3 LYS 32 HG1 LYS 32 21.557 -24.700 -0.055
288 HD2 LYS 32 HD2 LYS 32 22.244 -26.601 1.379
289 HD3 LYS 32 HD1 LYS 32 23.482 -25.582 2.113
290 HE2 LYS 32 HE2 LYS 32 21.964 -24.738 3.539
291 HE3 LYS 32 HE1 LYS 32 20.990 -24.169 2.181
292 HZ1 LYS 32 HZ1 LYS 32 19.894 -25.792 3.745
293 HZ2 LYS 32 HZ2 LYS 32 20.931 -26.980 3.111
294 HZ3 LYS 32 HZ3 LYS 32 19.823 -26.185 2.097
Start of MODEL 49
1 H1 LYS 1 HT1 LYS 1 20.506 17.618 -2.270
2 H2 LYS 1 HT2 LYS 1 22.181 17.843 -2.094
3 H3 LYS 1 HT3 LYS 1 21.096 18.969 -1.431
4 HA LYS 1 HA LYS 1 21.785 17.717 0.391
5 HB2 LYS 1 HB2 LYS 1 19.201 16.556 -0.691
6 HB3 LYS 1 HB1 LYS 1 19.751 16.395 0.977
7 HG2 LYS 1 HG2 LYS 1 19.386 18.627 1.462
8 HG3 LYS 1 HG1 LYS 1 19.635 19.139 -0.207
9 HD2 LYS 1 HD2 LYS 1 17.288 17.387 0.436
10 HD3 LYS 1 HD1 LYS 1 17.200 19.107 0.815
11 HE2 LYS 1 HE2 LYS 1 17.298 19.744 -1.410
12 HE3 LYS 1 HE1 LYS 1 18.186 18.300 -1.892
13 HZ1 LYS 1 HZ1 LYS 1 16.231 16.993 -1.703
14 HZ2 LYS 1 HZ2 LYS 1 15.824 18.362 -2.622
15 HZ3 LYS 1 HZ3 LYS 1 15.362 18.263 -0.991
16 H LYS 2 HN LYS 2 21.452 15.919 -2.551
17 HA LYS 2 HA LYS 2 22.275 13.890 -3.242
18 HB2 LYS 2 HB2 LYS 2 24.391 14.925 -2.416
19 HB3 LYS 2 HB1 LYS 2 24.109 14.170 -0.849
20 HG2 LYS 2 HG2 LYS 2 23.792 12.148 -2.828
21 HG3 LYS 2 HG1 LYS 2 25.286 13.012 -3.194
22 HD2 LYS 2 HD2 LYS 2 24.556 11.886 -0.473
23 HD3 LYS 2 HD1 LYS 2 25.663 11.126 -1.617
24 HE2 LYS 2 HE2 LYS 2 26.490 13.828 -1.348
25 HE3 LYS 2 HE1 LYS 2 26.210 13.214 0.281
26 HZ1 LYS 2 HZ1 LYS 2 28.146 12.344 -1.730
27 HZ2 LYS 2 HZ2 LYS 2 27.489 11.157 -0.707
28 HZ3 LYS 2 HZ3 LYS 2 28.319 12.484 -0.049
29 H HIS 3 HN HIS 3 22.864 13.418 0.223
30 HA HIS 3 HA HIS 3 20.542 11.771 0.612
31 HB2 HIS 3 HB2 HIS 3 22.125 10.303 -0.735
32 HB3 HIS 3 HB1 HIS 3 23.201 10.340 0.663
33 HD2 HIS 3 HD2 HIS 3 22.512 7.483 0.918
34 HE1 HIS 3 HE1 HIS 3 18.692 8.298 2.517
35 HE2 HIS 3 HE2 HIS 3 20.432 6.486 2.141
36 H THR 4 HN THR 4 22.669 10.217 2.419
37 HA THR 4 HA THR 4 22.732 12.247 4.572
38 HB THR 4 HB THR 4 20.977 10.728 5.167
39 HG1 THR 4 HG1 THR 4 22.076 11.013 6.974
40 HG21 THR 4 HG21 THR 4 20.953 8.672 4.265
41 HG22 THR 4 HG22 THR 4 22.250 8.210 5.363
42 HG23 THR 4 HG23 THR 4 22.634 8.835 3.757
43 H ILE 5 HN ILE 5 23.796 9.259 5.588
44 HA ILE 5 HA ILE 5 26.617 10.003 5.108
45 HB ILE 5 HB ILE 5 26.977 8.491 7.168
46 HG12 ILE 5 HG12 ILE 5 24.296 9.263 8.116
47 HG13 ILE 5 HG11 ILE 5 24.279 8.029 6.855
48 HG21 ILE 5 HG21 ILE 5 27.369 10.829 7.377
49 HG22 ILE 5 HG22 ILE 5 26.261 10.431 8.689
50 HG23 ILE 5 HG23 ILE 5 25.653 11.207 7.227
51 HD11 ILE 5 HD11 ILE 5 24.468 7.190 9.271
52 HD12 ILE 5 HD12 ILE 5 26.108 7.837 9.246
53 HD13 ILE 5 HD13 ILE 5 25.646 6.560 8.120
54 H TRP 6 HN TRP 6 24.177 7.590 4.732
55 HA TRP 6 HA TRP 6 25.510 5.215 4.519
56 HB2 TRP 6 HB2 TRP 6 23.094 6.343 3.426
57 HB3 TRP 6 HB1 TRP 6 23.879 5.322 2.221
58 HD1 TRP 6 HD1 TRP 6 22.586 3.124 2.356
59 HE1 TRP 6 HE1 TRP 6 22.021 1.443 4.220
60 HE3 TRP 6 HE3 TRP 6 24.242 5.733 6.411
61 HZ2 TRP 6 HZ2 TRP 6 22.241 1.233 7.059
62 HZ3 TRP 6 HZ3 TRP 6 24.052 4.772 8.689
63 HH2 TRP 6 HH2 TRP 6 23.055 2.526 9.018
64 H GLU 7 HN GLU 7 25.124 7.527 1.826
65 HA GLU 7 HA GLU 7 26.799 6.212 0.011
66 HB2 GLU 7 HB2 GLU 7 25.442 8.736 0.205
67 HB3 GLU 7 HB1 GLU 7 27.063 8.983 -0.447
68 HG2 GLU 7 HG2 GLU 7 25.115 6.901 -1.471
69 HG3 GLU 7 HG1 GLU 7 25.347 8.486 -2.209
70 H VAL 8 HN VAL 8 27.638 7.599 2.935
71 HA VAL 8 HA VAL 8 30.387 8.203 2.060
72 HB VAL 8 HB VAL 8 29.242 8.803 4.782
73 HG11 VAL 8 HG11 VAL 8 31.053 10.338 4.930
74 HG12 VAL 8 HG12 VAL 8 31.370 10.248 3.198
75 HG13 VAL 8 HG13 VAL 8 31.748 8.873 4.236
76 HG21 VAL 8 HG21 VAL 8 29.181 10.544 2.294
77 HG22 VAL 8 HG22 VAL 8 28.722 11.063 3.915
78 HG23 VAL 8 HG23 VAL 8 27.771 9.836 3.080
79 H ILE 9 HN ILE 9 28.498 6.258 4.332
80 HA ILE 9 HA ILE 9 30.938 4.738 4.987
81 HB ILE 9 HB ILE 9 30.229 5.516 7.030
82 HG12 ILE 9 HG12 ILE 9 29.880 2.842 6.702
83 HG13 ILE 9 HG11 ILE 9 29.671 3.671 8.231
84 HG21 ILE 9 HG21 ILE 9 28.359 6.786 6.382
85 HG22 ILE 9 HG22 ILE 9 27.773 5.701 7.635
86 HG23 ILE 9 HG23 ILE 9 27.427 5.359 5.936
87 HD11 ILE 9 HD11 ILE 9 27.361 3.316 6.313
88 HD12 ILE 9 HD12 ILE 9 27.308 3.727 8.022
89 HD13 ILE 9 HD13 ILE 9 27.771 2.104 7.521
90 H ALA 10 HN ALA 10 27.470 4.436 4.278
91 HA ALA 10 HA ALA 10 27.550 1.588 4.007
92 HB1 ALA 10 HB1 ALA 10 25.474 2.876 4.473
93 HB2 ALA 10 HB2 ALA 10 25.319 1.804 3.083
94 HB3 ALA 10 HB3 ALA 10 25.550 3.535 2.838
95 H GLY 11 HN GLY 11 26.949 4.056 1.484
96 HA2 GLY 11 HA2 GLY 11 27.379 2.431 -0.722
97 HA3 GLY 11 HA1 GLY 11 27.687 4.168 -0.703
98 H LEU 12 HN LEU 12 29.542 3.386 1.682
99 HA LEU 12 HA LEU 12 31.894 2.912 -0.008
100 HB2 LEU 12 HB2 LEU 12 31.694 4.971 1.519
101 HB3 LEU 12 HB1 LEU 12 31.935 3.847 2.857
102 HG LEU 12 HG LEU 12 33.933 3.091 1.135
103 HD11 LEU 12 HD11 LEU 12 34.957 4.998 0.168
104 HD12 LEU 12 HD12 LEU 12 33.949 6.110 1.093
105 HD13 LEU 12 HD13 LEU 12 33.248 5.175 -0.228
106 HD21 LEU 12 HD21 LEU 12 34.159 3.459 3.552
107 HD22 LEU 12 HD22 LEU 12 34.019 5.200 3.317
108 HD23 LEU 12 HD23 LEU 12 35.424 4.336 2.692
109 H VAL 13 HN VAL 13 30.012 1.615 2.631
110 HA VAL 13 HA VAL 13 31.988 -0.565 2.967
111 HB VAL 13 HB VAL 13 29.824 0.389 4.857
112 HG11 VAL 13 HG11 VAL 13 31.464 -1.331 6.240
113 HG12 VAL 13 HG12 VAL 13 31.370 -2.109 4.661
114 HG13 VAL 13 HG13 VAL 13 29.895 -1.766 5.563
115 HG21 VAL 13 HG21 VAL 13 32.101 1.658 4.510
116 HG22 VAL 13 HG22 VAL 13 32.785 0.294 5.393
117 HG23 VAL 13 HG23 VAL 13 31.555 1.305 6.149
118 H ALA 14 HN ALA 14 28.465 0.026 2.945
119 HA ALA 14 HA ALA 14 27.494 -2.521 2.867
120 HB1 ALA 14 HB1 ALA 14 26.183 -0.340 2.690
121 HB2 ALA 14 HB2 ALA 14 25.576 -1.688 1.729
122 HB3 ALA 14 HB3 ALA 14 26.503 -0.401 0.958
123 H LEU 15 HN LEU 15 28.788 -0.699 0.088
124 HA LEU 15 HA LEU 15 28.391 -2.797 -1.781
125 HB2 LEU 15 HB2 LEU 15 28.788 -0.417 -2.422
126 HB3 LEU 15 HB1 LEU 15 30.453 -0.574 -1.866
127 HG LEU 15 HG LEU 15 30.812 -2.411 -3.500
128 HD11 LEU 15 HD11 LEU 15 28.879 -2.329 -5.358
129 HD12 LEU 15 HD12 LEU 15 27.896 -1.938 -3.949
130 HD13 LEU 15 HD13 LEU 15 28.810 -3.446 -3.996
131 HD21 LEU 15 HD21 LEU 15 30.428 -0.901 -5.593
132 HD22 LEU 15 HD22 LEU 15 31.512 -0.324 -4.327
133 HD23 LEU 15 HD23 LEU 15 29.863 0.295 -4.427
134 H LEU 16 HN LEU 16 30.905 -2.007 0.500
135 HA LEU 16 HA LEU 16 32.613 -4.187 -0.468
136 HB2 LEU 16 HB2 LEU 16 33.218 -2.346 1.838
137 HB3 LEU 16 HB1 LEU 16 34.347 -3.244 0.823
138 HG LEU 16 HG LEU 16 32.620 -0.908 -0.042
139 HD11 LEU 16 HD11 LEU 16 34.617 0.343 -0.154
140 HD12 LEU 16 HD12 LEU 16 35.628 -1.102 -0.119
141 HD13 LEU 16 HD13 LEU 16 34.794 -0.575 1.342
142 HD21 LEU 16 HD21 LEU 16 34.052 -1.207 -2.173
143 HD22 LEU 16 HD22 LEU 16 32.729 -2.346 -1.923
144 HD23 LEU 16 HD23 LEU 16 34.387 -2.828 -1.564
145 H THR 17 HN THR 17 29.958 -4.267 1.130
146 HA THR 17 HA THR 17 30.886 -6.278 3.073
147 HB THR 17 HB THR 17 29.259 -3.839 3.604
148 HG1 THR 17 HG1 THR 17 31.371 -4.091 4.388
149 HG21 THR 17 HG21 THR 17 28.344 -5.077 5.658
150 HG22 THR 17 HG22 THR 17 28.723 -6.560 4.787
151 HG23 THR 17 HG23 THR 17 27.560 -5.415 4.118
152 H PHE 18 HN PHE 18 27.875 -4.837 1.809
153 HA PHE 18 HA PHE 18 26.185 -6.982 1.994
154 HB2 PHE 18 HB2 PHE 18 25.877 -4.565 0.960
155 HB3 PHE 18 HB1 PHE 18 26.163 -5.418 -0.557
156 HD1 PHE 18 HD1 PHE 18 24.152 -5.680 2.594
157 HD2 PHE 18 HD2 PHE 18 24.372 -6.493 -1.617
158 HE1 PHE 18 HE1 PHE 18 21.818 -6.518 2.634
159 HE2 PHE 18 HE2 PHE 18 22.040 -7.330 -1.577
160 HZ PHE 18 HZ PHE 18 20.761 -7.342 0.547
161 H LEU 19 HN LEU 19 28.448 -6.291 -0.665
162 HA LEU 19 HA LEU 19 27.873 -8.792 -2.001
163 HB2 LEU 19 HB2 LEU 19 29.817 -6.539 -2.465
164 HB3 LEU 19 HB1 LEU 19 29.962 -8.046 -3.362
165 HG LEU 19 HG LEU 19 28.614 -6.298 -4.555
166 HD11 LEU 19 HD11 LEU 19 26.522 -8.280 -4.026
167 HD12 LEU 19 HD12 LEU 19 28.097 -9.015 -4.322
168 HD13 LEU 19 HD13 LEU 19 27.390 -7.936 -5.522
169 HD21 LEU 19 HD21 LEU 19 27.638 -5.422 -2.366
170 HD22 LEU 19 HD22 LEU 19 26.539 -6.802 -2.417
171 HD23 LEU 19 HD23 LEU 19 26.498 -5.595 -3.702
172 H ALA 20 HN ALA 20 30.546 -7.424 -0.112
173 HA ALA 20 HA ALA 20 32.496 -9.291 -0.288
174 HB1 ALA 20 HB1 ALA 20 32.154 -7.221 1.340
175 HB2 ALA 20 HB2 ALA 20 33.316 -8.495 1.709
176 HB3 ALA 20 HB3 ALA 20 31.731 -8.495 2.483
177 H PHE 21 HN PHE 21 29.773 -9.545 2.022
178 HA PHE 21 HA PHE 21 30.427 -12.347 2.475
179 HB2 PHE 21 HB2 PHE 21 28.140 -10.740 3.625
180 HB3 PHE 21 HB1 PHE 21 28.743 -12.291 4.203
181 HD1 PHE 21 HD2 PHE 21 31.446 -12.265 4.575
182 HD2 PHE 21 HD1 PHE 21 28.825 -8.873 4.832
183 HE1 PHE 21 HE2 PHE 21 33.102 -11.093 6.001
184 HE2 PHE 21 HE1 PHE 21 30.480 -7.700 6.257
185 HZ PHE 21 HZ PHE 21 32.618 -8.811 6.843
186 H GLY 22 HN GLY 22 28.018 -10.373 0.870
187 HA2 GLY 22 HA2 GLY 22 25.992 -12.199 0.399
188 HA3 GLY 22 HA1 GLY 22 26.449 -10.921 -0.727
189 H PHE 23 HN PHE 23 29.017 -11.723 -1.407
190 HA PHE 23 HA PHE 23 28.573 -13.537 -3.476
191 HB2 PHE 23 HB2 PHE 23 30.858 -12.160 -2.319
192 HB3 PHE 23 HB1 PHE 23 31.287 -13.774 -2.888
193 HD1 PHE 23 HD1 PHE 23 30.103 -14.423 -5.220
194 HD2 PHE 23 HD2 PHE 23 30.963 -10.431 -3.887
195 HE1 PHE 23 HE1 PHE 23 30.027 -13.622 -7.566
196 HE2 PHE 23 HE2 PHE 23 30.887 -9.630 -6.230
197 HZ PHE 23 HZ PHE 23 30.416 -11.227 -8.072
198 H TRP 24 HN TRP 24 29.082 -14.079 -0.142
199 HA TRP 24 HA TRP 24 29.694 -16.921 -0.583
200 HB2 TRP 24 HB2 TRP 24 31.204 -15.938 0.985
201 HB3 TRP 24 HB1 TRP 24 29.889 -15.154 1.858
202 HD1 TRP 24 HD1 TRP 24 30.655 -18.792 0.793
203 HE1 TRP 24 HE1 TRP 24 30.147 -20.339 2.795
204 HE3 TRP 24 HE3 TRP 24 29.114 -15.331 4.193
205 HZ2 TRP 24 HZ2 TRP 24 29.210 -20.125 5.486
206 HZ3 TRP 24 HZ3 TRP 24 28.417 -16.021 6.473
207 HH2 TRP 24 HH2 TRP 24 28.462 -18.413 7.121
208 H LEU 25 HN LEU 25 27.910 -15.261 1.975
209 HA LEU 25 HA LEU 25 26.149 -16.918 2.922
210 HB2 LEU 25 HB2 LEU 25 25.783 -14.126 2.021
211 HB3 LEU 25 HB1 LEU 25 24.314 -15.023 2.403
212 HG LEU 25 HG LEU 25 26.651 -15.148 4.275
213 HD11 LEU 25 HD11 LEU 25 24.583 -12.934 4.143
214 HD12 LEU 25 HD12 LEU 25 26.321 -12.754 3.908
215 HD13 LEU 25 HD13 LEU 25 25.686 -13.196 5.493
216 HD21 LEU 25 HD21 LEU 25 23.797 -14.960 5.116
217 HD22 LEU 25 HD22 LEU 25 25.099 -15.952 5.774
218 HD23 LEU 25 HD23 LEU 25 24.292 -16.433 4.280
219 H PHE 26 HN PHE 26 25.241 -15.335 -0.155
220 HA PHE 26 HA PHE 26 23.122 -17.187 -0.583
221 HB2 PHE 26 HB2 PHE 26 24.386 -15.509 -2.740
222 HB3 PHE 26 HB1 PHE 26 22.706 -16.023 -2.593
223 HD1 PHE 26 HD1 PHE 26 21.769 -15.389 -0.043
224 HD2 PHE 26 HD2 PHE 26 24.673 -13.226 -2.356
225 HE1 PHE 26 HE1 PHE 26 21.241 -13.330 1.223
226 HE2 PHE 26 HE2 PHE 26 24.145 -11.164 -1.086
227 HZ PHE 26 HZ PHE 26 22.431 -11.217 0.705
228 H LYS 27 HN LYS 27 26.136 -16.707 -2.454
229 HA LYS 27 HA LYS 27 25.871 -18.956 -4.061
230 HB2 LYS 27 HB2 LYS 27 28.552 -18.005 -3.079
231 HB3 LYS 27 HB1 LYS 27 28.139 -18.687 -4.650
232 HG2 LYS 27 HG2 LYS 27 27.301 -15.973 -3.576
233 HG3 LYS 27 HG1 LYS 27 28.419 -16.290 -4.900
234 HD2 LYS 27 HD2 LYS 27 26.284 -17.640 -5.829
235 HD3 LYS 27 HD1 LYS 27 25.443 -16.430 -4.859
236 HE2 LYS 27 HE2 LYS 27 25.646 -15.321 -6.891
237 HE3 LYS 27 HE1 LYS 27 27.118 -14.779 -6.082
238 HZ1 LYS 27 HZ1 LYS 27 28.199 -15.647 -7.800
239 HZ2 LYS 27 HZ2 LYS 27 26.816 -16.453 -8.376
240 HZ3 LYS 27 HZ3 LYS 27 27.790 -17.175 -7.185
241 H TYR 28 HN TYR 28 26.542 -18.854 -0.711
242 HA TYR 28 HA TYR 28 27.619 -21.599 -0.762
243 HB2 TYR 28 HB2 TYR 28 28.947 -20.756 0.842
244 HB3 TYR 28 HB1 TYR 28 27.921 -19.343 1.068
245 HD1 TYR 28 HD2 TYR 28 27.947 -23.030 1.726
246 HD2 TYR 28 HD1 TYR 28 26.664 -19.147 3.023
247 HE1 TYR 28 HE2 TYR 28 27.006 -24.031 3.794
248 HE2 TYR 28 HE1 TYR 28 25.719 -20.141 5.088
249 HH TYR 28 HH TYR 28 26.123 -22.218 6.475
250 H LEU 29 HN LEU 29 24.932 -19.679 0.560
251 HA LEU 29 HA LEU 29 23.705 -22.153 1.562
252 HB2 LEU 29 HB2 LEU 29 23.809 -19.696 2.684
253 HB3 LEU 29 HB1 LEU 29 22.269 -19.575 1.833
254 HG LEU 29 HG LEU 29 23.046 -21.785 3.760
255 HD11 LEU 29 HD11 LEU 29 21.126 -20.730 5.083
256 HD12 LEU 29 HD12 LEU 29 21.276 -19.346 4.002
257 HD13 LEU 29 HD13 LEU 29 22.631 -19.813 5.031
258 HD21 LEU 29 HD21 LEU 29 21.536 -22.772 2.251
259 HD22 LEU 29 HD22 LEU 29 20.648 -21.268 2.011
260 HD23 LEU 29 HD23 LEU 29 20.470 -22.165 3.519
261 H GLN 30 HN GLN 30 23.023 -19.506 -0.703
262 HA GLN 30 HA GLN 30 20.480 -20.177 -1.553
263 HB2 GLN 30 HB2 GLN 30 22.073 -18.251 -2.291
264 HB3 GLN 30 HB1 GLN 30 22.582 -19.374 -3.544
265 HG2 GLN 30 HG2 GLN 30 20.835 -18.240 -4.586
266 HG3 GLN 30 HG1 GLN 30 20.016 -19.664 -3.946
267 HE21 GLN 30 HE21 GLN 30 21.082 -16.720 -2.171
268 HE22 GLN 30 HE22 GLN 30 19.525 -16.297 -1.640
269 H LYS 31 HN LYS 31 23.566 -21.621 -2.439
270 HA LYS 31 HA LYS 31 22.261 -23.439 -4.325
271 HB2 LYS 31 HB2 LYS 31 25.085 -22.678 -3.698
272 HB3 LYS 31 HB1 LYS 31 24.774 -24.242 -4.454
273 HG2 LYS 31 HG2 LYS 31 25.173 -22.498 -6.157
274 HG3 LYS 31 HG1 LYS 31 23.529 -23.128 -6.267
275 HD2 LYS 31 HD2 LYS 31 22.612 -21.210 -5.188
276 HD3 LYS 31 HD1 LYS 31 24.202 -20.662 -4.653
277 HE2 LYS 31 HE2 LYS 31 24.866 -20.274 -6.994
278 HE3 LYS 31 HE1 LYS 31 23.283 -20.828 -7.538
279 HZ1 LYS 31 HZ1 LYS 31 22.461 -18.821 -7.171
280 HZ2 LYS 31 HZ2 LYS 31 24.008 -18.266 -6.743
281 HZ3 LYS 31 HZ3 LYS 31 22.956 -18.863 -5.549
282 H LYS 32 HN LYS 32 24.170 -23.556 -1.331
283 HA LYS 32 HA LYS 32 23.450 -26.396 -1.020
284 HB2 LYS 32 HB2 LYS 32 25.317 -25.051 0.873
285 HB3 LYS 32 HB1 LYS 32 25.355 -26.689 0.230
286 HG2 LYS 32 HG2 LYS 32 26.033 -24.186 -1.353
287 HG3 LYS 32 HG1 LYS 32 27.207 -25.298 -0.663
288 HD2 LYS 32 HD2 LYS 32 26.400 -27.115 -2.056
289 HD3 LYS 32 HD1 LYS 32 25.087 -26.114 -2.672
290 HE2 LYS 32 HE2 LYS 32 26.771 -26.040 -4.353
291 HE3 LYS 32 HE1 LYS 32 26.899 -24.503 -3.500
292 HZ1 LYS 32 HZ1 LYS 32 28.844 -26.511 -3.792
293 HZ2 LYS 32 HZ2 LYS 32 28.479 -26.347 -2.141
294 HZ3 LYS 32 HZ3 LYS 32 28.990 -24.998 -3.039
Start of MODEL 50
1 H1 LYS 1 HT1 LYS 1 24.952 18.196 -0.063
2 H2 LYS 1 HT2 LYS 1 24.964 16.730 -0.922
3 H3 LYS 1 HT3 LYS 1 24.472 16.762 0.704
4 HA LYS 1 HA LYS 1 22.439 17.660 0.246
5 HB2 LYS 1 HB2 LYS 1 22.034 18.860 -1.957
6 HB3 LYS 1 HB1 LYS 1 23.174 19.656 -0.872
7 HG2 LYS 1 HG2 LYS 1 25.061 18.716 -2.102
8 HG3 LYS 1 HG1 LYS 1 23.962 17.813 -3.145
9 HD2 LYS 1 HD2 LYS 1 23.332 20.673 -3.033
10 HD3 LYS 1 HD1 LYS 1 24.944 20.350 -3.668
11 HE2 LYS 1 HE2 LYS 1 22.430 18.972 -4.649
12 HE3 LYS 1 HE1 LYS 1 23.164 20.368 -5.437
13 HZ1 LYS 1 HZ1 LYS 1 23.778 17.857 -6.042
14 HZ2 LYS 1 HZ2 LYS 1 24.950 18.156 -4.849
15 HZ3 LYS 1 HZ3 LYS 1 24.863 19.148 -6.225
16 H LYS 2 HN LYS 2 23.942 15.148 -0.570
17 HA LYS 2 HA LYS 2 22.303 14.231 -2.827
18 HB2 LYS 2 HB2 LYS 2 23.766 12.137 -2.529
19 HB3 LYS 2 HB1 LYS 2 24.562 13.601 -3.108
20 HG2 LYS 2 HG2 LYS 2 25.720 13.917 -1.151
21 HG3 LYS 2 HG1 LYS 2 24.437 13.224 -0.158
22 HD2 LYS 2 HD2 LYS 2 25.096 11.008 -0.638
23 HD3 LYS 2 HD1 LYS 2 26.041 11.501 -2.043
24 HE2 LYS 2 HE2 LYS 2 26.709 12.269 0.812
25 HE3 LYS 2 HE1 LYS 2 27.456 10.927 -0.056
26 HZ1 LYS 2 HZ1 LYS 2 27.759 12.904 -1.815
27 HZ2 LYS 2 HZ2 LYS 2 28.926 12.498 -0.648
28 HZ3 LYS 2 HZ3 LYS 2 27.850 13.782 -0.367
29 H HIS 3 HN HIS 3 23.324 11.769 -0.744
30 HA HIS 3 HA HIS 3 20.552 11.243 0.043
31 HB2 HIS 3 HB2 HIS 3 22.017 9.479 -1.033
32 HB3 HIS 3 HB1 HIS 3 22.961 9.469 0.458
33 HD2 HIS 3 HD2 HIS 3 21.834 6.743 0.756
34 HE1 HIS 3 HE1 HIS 3 18.093 8.206 2.050
35 HE2 HIS 3 HE2 HIS 3 19.554 6.138 1.874
36 H THR 4 HN THR 4 22.130 9.521 2.192
37 HA THR 4 HA THR 4 22.068 11.637 4.258
38 HB THR 4 HB THR 4 20.351 10.053 4.735
39 HG1 THR 4 HG1 THR 4 21.126 9.192 6.670
40 HG21 THR 4 HG21 THR 4 20.487 8.013 3.799
41 HG22 THR 4 HG22 THR 4 21.650 7.576 5.048
42 HG23 THR 4 HG23 THR 4 22.213 8.209 3.500
43 H ILE 5 HN ILE 5 23.195 8.645 5.305
44 HA ILE 5 HA ILE 5 25.993 9.595 5.208
45 HB ILE 5 HB ILE 5 26.203 7.977 7.215
46 HG12 ILE 5 HG12 ILE 5 23.385 8.568 7.853
47 HG13 ILE 5 HG11 ILE 5 23.603 7.383 6.564
48 HG21 ILE 5 HG21 ILE 5 26.445 10.307 7.603
49 HG22 ILE 5 HG22 ILE 5 25.191 9.792 8.733
50 HG23 ILE 5 HG23 ILE 5 24.748 10.623 7.241
51 HD11 ILE 5 HD11 ILE 5 25.107 7.214 9.175
52 HD12 ILE 5 HD12 ILE 5 24.909 5.960 7.951
53 HD13 ILE 5 HD13 ILE 5 23.534 6.452 8.943
54 H TRP 6 HN TRP 6 23.788 7.028 4.473
55 HA TRP 6 HA TRP 6 25.293 4.769 4.268
56 HB2 TRP 6 HB2 TRP 6 22.963 5.831 2.926
57 HB3 TRP 6 HB1 TRP 6 23.952 4.903 1.800
58 HD1 TRP 6 HD1 TRP 6 22.733 2.656 1.685
59 HE1 TRP 6 HE1 TRP 6 22.044 0.861 3.395
60 HE3 TRP 6 HE3 TRP 6 23.804 5.124 6.016
61 HZ2 TRP 6 HZ2 TRP 6 21.959 0.520 6.227
62 HZ3 TRP 6 HZ3 TRP 6 23.411 4.044 8.211
63 HH2 TRP 6 HH2 TRP 6 22.489 1.744 8.324
64 H GLU 7 HN GLU 7 24.961 6.983 1.487
65 HA GLU 7 HA GLU 7 26.975 5.968 -0.089
66 HB2 GLU 7 HB2 GLU 7 25.667 8.603 0.204
67 HB3 GLU 7 HB1 GLU 7 27.212 8.601 -0.647
68 HG2 GLU 7 HG2 GLU 7 26.381 6.854 -2.169
69 HG3 GLU 7 HG1 GLU 7 24.841 6.830 -1.308
70 H VAL 8 HN VAL 8 27.342 7.428 2.957
71 HA VAL 8 HA VAL 8 30.137 8.167 2.430
72 HB VAL 8 HB VAL 8 28.716 8.598 5.046
73 HG11 VAL 8 HG11 VAL 8 31.299 8.963 4.342
74 HG12 VAL 8 HG12 VAL 8 30.471 9.992 5.511
75 HG13 VAL 8 HG13 VAL 8 30.633 10.516 3.834
76 HG21 VAL 8 HG21 VAL 8 28.055 10.824 4.185
77 HG22 VAL 8 HG22 VAL 8 27.278 9.537 3.264
78 HG23 VAL 8 HG23 VAL 8 28.669 10.386 2.590
79 H ILE 9 HN ILE 9 28.168 5.998 4.419
80 HA ILE 9 HA ILE 9 30.639 4.635 5.275
81 HB ILE 9 HB ILE 9 29.681 5.287 7.259
82 HG12 ILE 9 HG12 ILE 9 29.577 2.611 6.822
83 HG13 ILE 9 HG11 ILE 9 29.141 3.363 8.344
84 HG21 ILE 9 HG21 ILE 9 27.789 6.441 6.477
85 HG22 ILE 9 HG22 ILE 9 27.168 5.262 7.626
86 HG23 ILE 9 HG23 ILE 9 27.018 4.971 5.890
87 HD11 ILE 9 HD11 ILE 9 26.817 3.244 7.885
88 HD12 ILE 9 HD12 ILE 9 27.459 1.684 7.379
89 HD13 ILE 9 HD13 ILE 9 27.082 2.910 6.179
90 H ALA 10 HN ALA 10 27.302 4.142 4.181
91 HA ALA 10 HA ALA 10 27.574 1.312 3.856
92 HB1 ALA 10 HB1 ALA 10 25.384 2.438 4.092
93 HB2 ALA 10 HB2 ALA 10 25.469 1.456 2.632
94 HB3 ALA 10 HB3 ALA 10 25.626 3.208 2.524
95 H GLY 11 HN GLY 11 27.126 3.805 1.329
96 HA2 GLY 11 HA2 GLY 11 27.927 2.276 -0.842
97 HA3 GLY 11 HA1 GLY 11 28.110 4.029 -0.750
98 H LEU 12 HN LEU 12 29.712 3.322 1.822
99 HA LEU 12 HA LEU 12 32.281 3.057 0.431
100 HB2 LEU 12 HB2 LEU 12 31.780 5.041 1.960
101 HB3 LEU 12 HB1 LEU 12 31.866 3.894 3.298
102 HG LEU 12 HG LEU 12 34.140 3.227 2.024
103 HD11 LEU 12 HD11 LEU 12 35.239 5.180 1.114
104 HD12 LEU 12 HD12 LEU 12 33.877 6.211 1.557
105 HD13 LEU 12 HD13 LEU 12 33.691 5.001 0.286
106 HD21 LEU 12 HD21 LEU 12 35.285 4.839 3.603
107 HD22 LEU 12 HD22 LEU 12 34.057 3.826 4.364
108 HD23 LEU 12 HD23 LEU 12 33.694 5.507 3.971
109 H VAL 13 HN VAL 13 30.172 1.541 2.749
110 HA VAL 13 HA VAL 13 32.199 -0.572 3.203
111 HB VAL 13 HB VAL 13 29.909 0.240 5.009
112 HG11 VAL 13 HG11 VAL 13 32.043 -1.898 5.180
113 HG12 VAL 13 HG12 VAL 13 30.293 -2.108 5.256
114 HG13 VAL 13 HG13 VAL 13 31.146 -1.333 6.590
115 HG21 VAL 13 HG21 VAL 13 32.092 1.703 4.753
116 HG22 VAL 13 HG22 VAL 13 32.831 0.407 5.692
117 HG23 VAL 13 HG23 VAL 13 31.481 1.321 6.362
118 H ALA 14 HN ALA 14 28.653 -0.097 3.156
119 HA ALA 14 HA ALA 14 27.815 -2.689 2.905
120 HB1 ALA 14 HB1 ALA 14 26.736 -0.363 1.293
121 HB2 ALA 14 HB2 ALA 14 26.301 -0.720 2.965
122 HB3 ALA 14 HB3 ALA 14 25.877 -1.853 1.681
123 H LEU 15 HN LEU 15 29.126 -0.617 0.342
124 HA LEU 15 HA LEU 15 28.771 -2.533 -1.740
125 HB2 LEU 15 HB2 LEU 15 29.083 -0.096 -2.153
126 HB3 LEU 15 HB1 LEU 15 30.743 -0.237 -1.583
127 HG LEU 15 HG LEU 15 31.210 -1.886 -3.380
128 HD11 LEU 15 HD11 LEU 15 29.261 -2.953 -4.002
129 HD12 LEU 15 HD12 LEU 15 29.311 -1.716 -5.256
130 HD13 LEU 15 HD13 LEU 15 28.284 -1.494 -3.841
131 HD21 LEU 15 HD21 LEU 15 31.865 0.223 -4.085
132 HD22 LEU 15 HD22 LEU 15 30.234 0.883 -3.962
133 HD23 LEU 15 HD23 LEU 15 30.666 -0.156 -5.320
134 H LEU 16 HN LEU 16 31.260 -1.865 0.623
135 HA LEU 16 HA LEU 16 33.090 -3.810 -0.560
136 HB2 LEU 16 HB2 LEU 16 33.448 -2.319 2.038
137 HB3 LEU 16 HB1 LEU 16 34.693 -3.040 1.016
138 HG LEU 16 HG LEU 16 32.952 -0.655 0.333
139 HD11 LEU 16 HD11 LEU 16 34.961 0.622 0.457
140 HD12 LEU 16 HD12 LEU 16 35.966 -0.826 0.510
141 HD13 LEU 16 HD13 LEU 16 34.968 -0.395 1.898
142 HD21 LEU 16 HD21 LEU 16 34.588 -0.654 -1.700
143 HD22 LEU 16 HD22 LEU 16 33.218 -1.764 -1.724
144 HD23 LEU 16 HD23 LEU 16 34.826 -2.355 -1.305
145 H THR 17 HN THR 17 30.415 -3.928 1.344
146 HA THR 17 HA THR 17 31.372 -6.301 2.826
147 HB THR 17 HB THR 17 29.546 -4.075 3.595
148 HG1 THR 17 HG1 THR 17 31.283 -3.939 4.766
149 HG21 THR 17 HG21 THR 17 28.716 -5.659 5.451
150 HG22 THR 17 HG22 THR 17 29.220 -6.968 4.388
151 HG23 THR 17 HG23 THR 17 27.979 -5.831 3.860
152 H PHE 18 HN PHE 18 28.296 -4.902 1.670
153 HA PHE 18 HA PHE 18 26.768 -7.162 1.517
154 HB2 PHE 18 HB2 PHE 18 26.229 -4.695 0.878
155 HB3 PHE 18 HB1 PHE 18 26.705 -5.190 -0.747
156 HD1 PHE 18 HD2 PHE 18 24.293 -5.736 2.000
157 HD2 PHE 18 HD1 PHE 18 25.377 -6.762 -2.027
158 HE1 PHE 18 HE2 PHE 18 22.077 -6.796 1.673
159 HE2 PHE 18 HE1 PHE 18 23.161 -7.822 -2.354
160 HZ PHE 18 HZ PHE 18 21.509 -7.840 -0.504
161 H LEU 19 HN LEU 19 29.183 -6.056 -0.824
162 HA LEU 19 HA LEU 19 28.651 -8.171 -2.699
163 HB2 LEU 19 HB2 LEU 19 30.782 -6.068 -2.425
164 HB3 LEU 19 HB1 LEU 19 30.943 -7.352 -3.618
165 HG LEU 19 HG LEU 19 29.840 -5.245 -4.488
166 HD11 LEU 19 HD11 LEU 19 28.774 -6.552 -5.988
167 HD12 LEU 19 HD12 LEU 19 27.625 -7.114 -4.774
168 HD13 LEU 19 HD13 LEU 19 29.175 -7.930 -4.964
169 HD21 LEU 19 HD21 LEU 19 27.477 -6.143 -2.832
170 HD22 LEU 19 HD22 LEU 19 27.658 -4.644 -3.741
171 HD23 LEU 19 HD23 LEU 19 28.598 -4.904 -2.271
172 H ALA 20 HN ALA 20 30.467 -7.907 0.193
173 HA ALA 20 HA ALA 20 32.251 -10.124 -0.489
174 HB1 ALA 20 HB1 ALA 20 32.317 -9.344 2.291
175 HB2 ALA 20 HB2 ALA 20 32.423 -7.922 1.254
176 HB3 ALA 20 HB3 ALA 20 33.590 -9.232 1.075
177 H PHE 21 HN PHE 21 29.690 -9.364 1.857
178 HA PHE 21 HA PHE 21 29.600 -12.049 2.893
179 HB2 PHE 21 HB2 PHE 21 27.864 -9.607 3.245
180 HB3 PHE 21 HB1 PHE 21 27.476 -11.157 3.992
181 HD1 PHE 21 HD2 PHE 21 30.407 -8.849 3.559
182 HD2 PHE 21 HD1 PHE 21 28.307 -11.574 6.132
183 HE1 PHE 21 HE2 PHE 21 32.016 -8.366 5.381
184 HE2 PHE 21 HE1 PHE 21 29.914 -11.088 7.957
185 HZ PHE 21 HZ PHE 21 31.768 -9.483 7.578
186 H GLY 22 HN GLY 22 27.631 -10.092 0.691
187 HA2 GLY 22 HA2 GLY 22 25.574 -11.984 0.272
188 HA3 GLY 22 HA1 GLY 22 25.986 -10.656 -0.808
189 H PHE 23 HN PHE 23 28.539 -11.284 -1.577
190 HA PHE 23 HA PHE 23 28.187 -13.087 -3.650
191 HB2 PHE 23 HB2 PHE 23 29.939 -11.454 -3.751
192 HB3 PHE 23 HB1 PHE 23 30.681 -12.084 -2.277
193 HD1 PHE 23 HD2 PHE 23 29.469 -13.421 -5.567
194 HD2 PHE 23 HD1 PHE 23 32.551 -13.427 -2.574
195 HE1 PHE 23 HE2 PHE 23 30.773 -15.042 -6.911
196 HE2 PHE 23 HE1 PHE 23 33.853 -15.045 -3.919
197 HZ PHE 23 HZ PHE 23 32.968 -15.857 -6.092
198 H TRP 24 HN TRP 24 28.455 -13.733 -0.381
199 HA TRP 24 HA TRP 24 29.416 -16.482 -0.870
200 HB2 TRP 24 HB2 TRP 24 30.934 -15.394 0.627
201 HB3 TRP 24 HB1 TRP 24 29.604 -14.748 1.592
202 HD1 TRP 24 HD1 TRP 24 30.534 -18.288 0.344
203 HE1 TRP 24 HE1 TRP 24 30.283 -19.929 2.321
204 HE3 TRP 24 HE3 TRP 24 29.077 -15.042 3.986
205 HZ2 TRP 24 HZ2 TRP 24 29.557 -19.863 5.083
206 HZ3 TRP 24 HZ3 TRP 24 28.608 -15.851 6.286
207 HH2 TRP 24 HH2 TRP 24 28.847 -18.257 6.836
208 H LEU 25 HN LEU 25 27.632 -14.912 1.744
209 HA LEU 25 HA LEU 25 26.085 -16.705 2.818
210 HB2 LEU 25 HB2 LEU 25 25.472 -13.959 1.927
211 HB3 LEU 25 HB1 LEU 25 24.076 -14.949 2.356
212 HG LEU 25 HG LEU 25 26.518 -14.766 4.127
213 HD11 LEU 25 HD11 LEU 25 25.562 -12.491 3.751
214 HD12 LEU 25 HD12 LEU 25 25.367 -13.040 5.416
215 HD13 LEU 25 HD13 LEU 25 23.998 -13.087 4.305
216 HD21 LEU 25 HD21 LEU 25 25.349 -16.126 5.505
217 HD22 LEU 25 HD22 LEU 25 24.220 -16.376 4.174
218 HD23 LEU 25 HD23 LEU 25 23.907 -15.123 5.372
219 H PHE 26 HN PHE 26 25.187 -15.389 -0.386
220 HA PHE 26 HA PHE 26 23.032 -17.252 -0.693
221 HB2 PHE 26 HB2 PHE 26 24.351 -15.784 -2.960
222 HB3 PHE 26 HB1 PHE 26 22.660 -16.252 -2.787
223 HD1 PHE 26 HD2 PHE 26 21.865 -15.363 -0.169
224 HD2 PHE 26 HD1 PHE 26 24.527 -13.461 -2.956
225 HE1 PHE 26 HE2 PHE 26 21.375 -13.169 0.863
226 HE2 PHE 26 HE1 PHE 26 24.031 -11.264 -1.922
227 HZ PHE 26 HZ PHE 26 22.462 -11.121 -0.010
228 H LYS 27 HN LYS 27 25.807 -16.906 -2.901
229 HA LYS 27 HA LYS 27 25.618 -19.330 -4.140
230 HB2 LYS 27 HB2 LYS 27 28.419 -18.751 -3.637
231 HB3 LYS 27 HB1 LYS 27 27.524 -18.744 -5.152
232 HG2 LYS 27 HG2 LYS 27 27.502 -16.481 -3.130
233 HG3 LYS 27 HG1 LYS 27 28.484 -16.519 -4.587
234 HD2 LYS 27 HD2 LYS 27 25.575 -17.012 -4.968
235 HD3 LYS 27 HD1 LYS 27 26.046 -15.373 -4.524
236 HE2 LYS 27 HE2 LYS 27 27.356 -15.088 -6.444
237 HE3 LYS 27 HE1 LYS 27 27.522 -16.825 -6.705
238 HZ1 LYS 27 HZ1 LYS 27 25.426 -15.034 -7.536
239 HZ2 LYS 27 HZ2 LYS 27 24.855 -16.465 -6.824
240 HZ3 LYS 27 HZ3 LYS 27 25.885 -16.536 -8.174
241 H TYR 28 HN TYR 28 26.239 -18.939 -0.840
242 HA TYR 28 HA TYR 28 27.437 -21.642 -0.667
243 HB2 TYR 28 HB2 TYR 28 28.932 -20.538 0.620
244 HB3 TYR 28 HB1 TYR 28 27.853 -19.170 0.875
245 HD1 TYR 28 HD2 TYR 28 28.122 -22.804 1.767
246 HD2 TYR 28 HD1 TYR 28 26.937 -18.866 3.001
247 HE1 TYR 28 HE2 TYR 28 27.548 -23.682 4.015
248 HE2 TYR 28 HE1 TYR 28 26.366 -19.740 5.248
249 HH TYR 28 HH TYR 28 26.988 -23.128 6.114
250 H LEU 29 HN LEU 29 25.092 -19.491 0.940
251 HA LEU 29 HA LEU 29 23.878 -21.773 2.274
252 HB2 LEU 29 HB2 LEU 29 24.239 -19.317 3.182
253 HB3 LEU 29 HB1 LEU 29 22.703 -19.023 2.367
254 HG LEU 29 HG LEU 29 22.096 -21.321 3.650
255 HD11 LEU 29 HD11 LEU 29 23.051 -21.258 5.909
256 HD12 LEU 29 HD12 LEU 29 24.037 -19.863 5.466
257 HD13 LEU 29 HD13 LEU 29 24.334 -21.430 4.712
258 HD21 LEU 29 HD21 LEU 29 20.734 -19.347 3.813
259 HD22 LEU 29 HD22 LEU 29 21.999 -18.476 4.681
260 HD23 LEU 29 HD23 LEU 29 21.150 -19.811 5.463
261 H GLN 30 HN GLN 30 23.013 -19.371 -0.194
262 HA GLN 30 HA GLN 30 20.367 -20.412 -0.587
263 HB2 GLN 30 HB2 GLN 30 20.894 -18.082 -1.092
264 HB3 GLN 30 HB1 GLN 30 22.049 -18.591 -2.323
265 HG2 GLN 30 HG2 GLN 30 20.420 -19.115 -3.827
266 HG3 GLN 30 HG1 GLN 30 19.332 -19.735 -2.588
267 HE21 GLN 30 HE21 GLN 30 20.690 -16.526 -2.136
268 HE22 GLN 30 HE22 GLN 30 19.267 -15.672 -2.491
269 H LYS 31 HN LYS 31 23.461 -21.405 -1.560
270 HA LYS 31 HA LYS 31 22.314 -23.088 -3.711
271 HB2 LYS 31 HB2 LYS 31 24.918 -21.641 -3.482
272 HB3 LYS 31 HB1 LYS 31 24.888 -23.179 -4.345
273 HG2 LYS 31 HG2 LYS 31 24.495 -21.286 -5.884
274 HG3 LYS 31 HG1 LYS 31 23.085 -22.341 -5.797
275 HD2 LYS 31 HD2 LYS 31 21.812 -20.781 -4.695
276 HD3 LYS 31 HD1 LYS 31 23.198 -20.088 -3.851
277 HE2 LYS 31 HE2 LYS 31 23.941 -19.007 -5.931
278 HE3 LYS 31 HE1 LYS 31 22.578 -19.717 -6.797
279 HZ1 LYS 31 HZ1 LYS 31 21.059 -18.492 -5.447
280 HZ2 LYS 31 HZ2 LYS 31 22.206 -17.399 -6.063
281 HZ3 LYS 31 HZ3 LYS 31 22.306 -17.921 -4.450
282 H LYS 32 HN LYS 32 21.766 -24.384 -1.681
283 HA LYS 32 HA LYS 32 24.075 -26.011 -0.811
284 HB2 LYS 32 HB2 LYS 32 21.904 -24.838 0.614
285 HB3 LYS 32 HB1 LYS 32 21.726 -26.592 0.699
286 HG2 LYS 32 HG2 LYS 32 24.114 -26.762 1.408
287 HG3 LYS 32 HG1 LYS 32 24.202 -25.001 1.428
288 HD2 LYS 32 HD2 LYS 32 22.298 -26.682 3.086
289 HD3 LYS 32 HD1 LYS 32 23.760 -25.900 3.690
290 HE2 LYS 32 HE2 LYS 32 22.195 -24.285 4.237
291 HE3 LYS 32 HE1 LYS 32 22.631 -23.743 2.617
292 HZ1 LYS 32 HZ1 LYS 32 20.127 -24.286 3.431
293 HZ2 LYS 32 HZ2 LYS 32 20.560 -25.747 2.680
294 HZ3 LYS 32 HZ3 LYS 32 20.635 -24.288 1.813