Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
635714 | 6hz2 RC | 34322 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HN GLY 1 1.225 -0.236 0.115
2 HA2 GLY 1 HA1 GLY 1 1.000 1.613 -1.579
3 HA3 GLY 1 HA2 GLY 1 1.523 2.172 0.062
4 H ILE 2 HN ILE 2 4.072 0.685 -0.506
5 HA ILE 2 HA ILE 2 5.644 2.895 -1.058
6 HB ILE 2 HB ILE 2 6.375 1.011 0.279
7 HG12 ILE 2 HG11 ILE 2 8.285 1.491 -2.087
8 HG13 ILE 2 HG12 ILE 2 7.987 2.659 -0.759
9 HG21 ILE 2 HG21 ILE 2 7.132 -1.110 -0.715
10 HG22 ILE 2 HG22 ILE 2 5.418 -0.850 -1.161
11 HG23 ILE 2 HG23 ILE 2 6.731 -0.550 -2.370
12 HD11 ILE 2 HD1 ILE 2 8.791 0.940 0.919
13 HD12 ILE 2 HD2 ILE 2 9.164 -0.185 -0.435
14 HD13 ILE 2 HD3 ILE 2 10.051 1.371 -0.292
15 H GLY 3 HN GLY 3 4.524 0.452 -3.340
16 HA2 GLY 3 HA1 GLY 3 6.112 1.100 -5.559
17 HA3 GLY 3 HA2 GLY 3 4.442 0.442 -5.596
18 H GLY 4 HN GLY 4 3.276 2.821 -4.278
19 HA2 GLY 4 HA1 GLY 4 2.964 4.473 -6.638
20 HA3 GLY 4 HA2 GLY 4 2.141 4.617 -5.045
21 H LYS 5 HN LYS 5 5.211 4.459 -4.130
22 HA LYS 5 HA LYS 5 5.747 7.343 -4.477
23 HB2 LYS 5 HB1 LYS 5 5.683 6.296 -2.155
24 HB3 LYS 5 HB2 LYS 5 7.101 5.314 -2.606
25 HG2 LYS 5 HG1 LYS 5 8.405 7.464 -2.998
26 HG3 LYS 5 HG2 LYS 5 6.943 8.395 -2.527
27 HD2 LYS 5 HD1 LYS 5 7.003 7.175 -0.254
28 HD3 LYS 5 HD2 LYS 5 8.501 6.371 -0.787
29 HE2 LYS 5 HE1 LYS 5 9.136 8.195 0.696
30 HE3 LYS 5 HE2 LYS 5 9.641 8.649 -0.980
31 HZ1 LYS 5 HZ1 LYS 5 8.560 10.468 0.175
32 HZ2 LYS 5 HZ2 LYS 5 7.163 9.544 0.423
33 HZ3 LYS 5 HZ3 LYS 5 7.621 9.975 -1.150
34 H ILE 6 HN ILE 6 7.479 4.143 -4.609
35 HA ILE 6 HA ILE 6 9.691 5.333 -5.894
36 HB ILE 6 HB ILE 6 10.687 3.169 -6.081
37 HG12 ILE 6 HG11 ILE 6 8.012 2.046 -5.043
38 HG13 ILE 6 HG12 ILE 6 8.683 1.797 -6.691
39 HG21 ILE 6 HG21 ILE 6 9.262 3.578 -3.366
40 HG22 ILE 6 HG22 ILE 6 10.850 2.788 -3.657
41 HG23 ILE 6 HG23 ILE 6 10.670 4.549 -3.951
42 HD11 ILE 6 HD1 ILE 6 10.696 0.636 -5.671
43 HD12 ILE 6 HD2 ILE 6 9.922 0.779 -4.051
44 HD13 ILE 6 HD3 ILE 6 9.136 -0.199 -5.335
45 H LEU 7 HN LEU 7 6.940 3.495 -7.402
46 HA LEU 7 HA LEU 7 8.349 3.484 -9.919
47 HB2 LEU 7 HB1 LEU 7 5.419 2.853 -9.306
48 HB3 LEU 7 HB2 LEU 7 6.247 2.545 -10.860
49 HG LEU 7 HG LEU 7 6.930 1.240 -8.159
50 HD11 LEU 7 HD11 LEU 7 5.522 0.096 -10.653
51 HD12 LEU 7 HD12 LEU 7 4.750 0.501 -9.078
52 HD13 LEU 7 HD13 LEU 7 5.967 -0.824 -9.163
53 HD21 LEU 7 HD21 LEU 7 8.371 -0.313 -9.512
54 HD22 LEU 7 HD22 LEU 7 8.981 1.376 -9.549
55 HD23 LEU 7 HD23 LEU 7 8.083 0.713 -10.974
56 H SER 8 HN SER 8 6.160 5.662 -8.280
57 HA SER 8 HA SER 8 5.380 7.188 -10.512
58 HB2 SER 8 HB1 SER 8 5.677 8.021 -7.570
59 HB3 SER 8 HB2 SER 8 4.723 8.899 -8.829
60 HG SER 8 HG1 SER 8 3.677 7.222 -7.348
61 H GLY 9 HN GLY 9 8.370 6.989 -8.795
62 HA2 GLY 9 HA1 GLY 9 9.467 9.298 -10.272
63 HA3 GLY 9 HA2 GLY 9 10.328 8.211 -9.122
64 H LEU 10 HN LEU 10 10.268 5.800 -9.917
65 HA LEU 10 HA LEU 10 12.082 5.829 -11.993
66 HB2 LEU 10 HB1 LEU 10 11.985 4.293 -10.060
67 HB3 LEU 10 HB2 LEU 10 10.537 3.493 -10.715
68 HG LEU 10 HG LEU 10 12.771 2.295 -10.876
69 HD11 LEU 10 HD11 LEU 10 10.788 1.605 -12.239
70 HD12 LEU 10 HD12 LEU 10 12.385 1.222 -13.005
71 HD13 LEU 10 HD13 LEU 10 11.418 2.608 -13.615
72 HD21 LEU 10 HD21 LEU 10 14.369 2.810 -12.664
73 HD22 LEU 10 HD22 LEU 10 14.197 4.228 -11.571
74 HD23 LEU 10 HD23 LEU 10 13.400 4.229 -13.189
75 H LYS 11 HN LYS 11 8.631 4.676 -12.267
76 HA LYS 11 HA LYS 11 9.103 3.868 -15.011
77 HB2 LYS 11 HB1 LYS 11 6.597 4.007 -13.267
78 HB3 LYS 11 HB2 LYS 11 6.506 3.656 -15.012
79 HG2 LYS 11 HG1 LYS 11 8.157 1.965 -13.044
80 HG3 LYS 11 HG2 LYS 11 6.458 1.629 -13.534
81 HD2 LYS 11 HD1 LYS 11 7.194 1.647 -15.964
82 HD3 LYS 11 HD2 LYS 11 8.896 1.705 -15.440
83 HE2 LYS 11 HE1 LYS 11 6.858 -0.548 -14.773
84 HE3 LYS 11 HE2 LYS 11 8.099 -0.612 -16.085
85 HZ1 LYS 11 HZ1 LYS 11 8.848 -1.730 -14.103
86 HZ2 LYS 11 HZ2 LYS 11 8.645 -0.323 -13.174
87 HZ3 LYS 11 HZ3 LYS 11 9.812 -0.368 -14.406
88 H THR 12 HN THR 12 7.620 6.660 -13.339
89 HA THR 12 HA THR 12 6.725 8.032 -15.557
90 HB THR 12 HB THR 12 7.993 9.267 -13.066
91 HG1 THR 12 HG1 THR 12 6.123 8.982 -12.142
92 HG21 THR 12 HG21 THR 12 7.401 10.930 -14.904
93 HG22 THR 12 HG22 THR 12 6.273 11.066 -13.512
94 HG23 THR 12 HG23 THR 12 5.749 10.206 -15.001
95 H ALA 13 HN ALA 13 10.046 8.170 -14.054
96 HA ALA 13 HA ALA 13 11.093 9.914 -15.999
97 HB1 ALA 13 HB1 ALA 13 13.305 9.060 -15.174
98 HB2 ALA 13 HB2 ALA 13 12.186 9.409 -13.809
99 HB3 ALA 13 HB3 ALA 13 12.452 7.710 -14.328
100 H LEU 14 HN LEU 14 11.078 6.314 -15.895
101 HA LEU 14 HA LEU 14 12.587 5.906 -18.175
102 HB2 LEU 14 HB1 LEU 14 12.109 4.257 -16.351
103 HB3 LEU 14 HB2 LEU 14 10.414 4.152 -16.904
104 HG LEU 14 HG LEU 14 11.230 3.187 -19.102
105 HD11 LEU 14 HD11 LEU 14 13.988 3.200 -17.710
106 HD12 LEU 14 HD12 LEU 14 13.537 4.132 -19.186
107 HD13 LEU 14 HD13 LEU 14 13.592 2.337 -19.239
108 HD21 LEU 14 HD21 LEU 14 10.485 1.714 -17.247
109 HD22 LEU 14 HD22 LEU 14 12.166 1.706 -16.568
110 HD23 LEU 14 HD23 LEU 14 11.837 0.957 -18.175
111 H LYS 15 HN LYS 15 8.981 6.117 -17.988
112 HA LYS 15 HA LYS 15 8.977 6.420 -20.896
113 HB2 LYS 15 HB1 LYS 15 8.896 3.873 -20.069
114 HB3 LYS 15 HB2 LYS 15 7.206 4.274 -19.668
115 HG2 LYS 15 HG1 LYS 15 7.112 3.257 -21.764
116 HG3 LYS 15 HG2 LYS 15 6.928 4.974 -22.175
117 HD2 LYS 15 HD1 LYS 15 9.617 3.410 -22.349
118 HD3 LYS 15 HD2 LYS 15 8.397 3.452 -23.641
119 HE2 LYS 15 HE1 LYS 15 9.457 5.211 -24.533
120 HE3 LYS 15 HE2 LYS 15 8.699 6.182 -23.219
121 HZ1 LYS 15 HZ1 LYS 15 10.952 6.645 -23.202
122 HZ2 LYS 15 HZ2 LYS 15 11.447 5.030 -23.321
123 HZ3 LYS 15 HZ3 LYS 15 10.768 5.621 -21.887
124 H GLY 16 HN GLY 16 8.127 7.986 -18.365
125 HA2 GLY 16 HA1 GLY 16 5.648 8.956 -19.684
126 HA3 GLY 16 HA2 GLY 16 6.229 9.379 -18.027
127 H ALA 17 HN ALA 17 8.310 10.503 -17.890
128 HA ALA 17 HA ALA 17 8.464 12.751 -19.546
129 HB1 ALA 17 HB1 ALA 17 9.270 12.662 -17.171
130 HB2 ALA 17 HB2 ALA 17 10.572 11.516 -17.661
131 HB3 ALA 17 HB3 ALA 17 10.581 13.215 -18.273
132 H ALA 18 HN ALA 18 10.502 9.752 -19.579
133 HA ALA 18 HA ALA 18 11.760 10.656 -22.035
134 HB1 ALA 18 HB1 ALA 18 13.078 9.478 -20.293
135 HB2 ALA 18 HB2 ALA 18 12.045 8.024 -20.492
136 HB3 ALA 18 HB3 ALA 18 13.094 8.591 -21.856
137 H LYS 19 HN LYS 19 8.653 9.772 -21.788
138 HA LYS 19 HA LYS 19 8.822 8.527 -24.457
139 HB2 LYS 19 HB1 LYS 19 6.954 7.873 -22.677
140 HB3 LYS 19 HB2 LYS 19 6.189 9.386 -23.174
141 HG2 LYS 19 HG1 LYS 19 6.979 6.973 -24.929
142 HG3 LYS 19 HG2 LYS 19 5.328 7.346 -24.369
143 HD2 LYS 19 HD1 LYS 19 6.856 9.207 -26.341
144 HD3 LYS 19 HD2 LYS 19 6.006 7.738 -26.817
145 HE2 LYS 19 HE1 LYS 19 4.318 9.131 -27.268
146 HE3 LYS 19 HE2 LYS 19 3.887 8.786 -25.548
147 HZ1 LYS 19 HZ1 LYS 19 4.919 10.879 -24.936
148 HZ2 LYS 19 HZ2 LYS 19 3.813 11.170 -26.085
149 HZ3 LYS 19 HZ3 LYS 19 5.417 11.161 -26.544
150 H GLU 20 HN GLU 20 7.445 11.403 -22.680
151 HA GLU 20 HA GLU 20 6.926 12.838 -24.936
152 HB2 GLU 20 HB1 GLU 20 7.593 14.075 -22.226
153 HB3 GLU 20 HB2 GLU 20 6.609 14.768 -23.561
154 HG2 GLU 20 HG1 GLU 20 5.864 12.508 -21.626
155 HG3 GLU 20 HG2 GLU 20 4.955 14.011 -22.029
156 H LEU 21 HN LEU 21 9.975 13.060 -23.049
157 HA LEU 21 HA LEU 21 11.189 15.029 -24.618
158 HB2 LEU 21 HB1 LEU 21 11.878 14.259 -22.364
159 HB3 LEU 21 HB2 LEU 21 12.436 12.701 -23.028
160 HG LEU 21 HG LEU 21 13.602 15.289 -24.149
161 HD11 LEU 21 HD11 LEU 21 15.277 15.387 -22.305
162 HD12 LEU 21 HD12 LEU 21 14.414 14.063 -21.436
163 HD13 LEU 21 HD13 LEU 21 13.606 15.659 -21.687
164 HD21 LEU 21 HD21 LEU 21 15.708 13.928 -24.237
165 HD22 LEU 21 HD22 LEU 21 14.383 13.116 -25.132
166 HD23 LEU 21 HD23 LEU 21 14.848 12.533 -23.488
167 H ALA 22 HN ALA 22 10.829 11.570 -25.224
168 HA ALA 22 HA ALA 22 12.725 11.677 -27.470
169 HB1 ALA 22 HB1 ALA 22 12.527 9.183 -27.355
170 HB2 ALA 22 HB2 ALA 22 12.958 9.867 -25.746
171 HB3 ALA 22 HB3 ALA 22 11.262 9.350 -26.077
172 H SER 23 HN SER 23 9.576 12.509 -27.133
173 HA SER 23 HA SER 23 8.170 10.592 -28.512
174 HB2 SER 23 HB1 SER 23 7.324 12.492 -26.956
175 HB3 SER 23 HB2 SER 23 7.175 13.489 -28.429
176 HG SER 23 HG1 SER 23 5.764 11.882 -29.241
177 H THR 24 HN THR 24 9.453 13.676 -29.926
178 HA THR 24 HA THR 24 8.361 13.297 -32.454
179 HB THR 24 HB THR 24 11.104 14.547 -31.921
180 HG1 THR 24 HG1 THR 24 9.860 16.421 -31.569
181 HG21 THR 24 HG21 THR 24 10.344 16.073 -33.792
182 HG22 THR 24 HG22 THR 24 8.772 15.195 -33.878
183 HG23 THR 24 HG23 THR 24 10.303 14.368 -34.340
184 H TYR 25 HN TYR 25 11.446 12.157 -31.089
185 HA TYR 25 HA TYR 25 12.488 11.115 -33.494
186 HB2 TYR 25 HB1 TYR 25 13.242 10.464 -30.570
187 HB3 TYR 25 HB2 TYR 25 14.281 10.204 -32.026
188 HD1 TYR 25 HD1 TYR 25 14.790 12.300 -33.478
189 HD2 TYR 25 HD2 TYR 25 13.334 12.531 -29.441
190 HE1 TYR 25 HE1 TYR 25 15.582 14.637 -33.326
191 HE2 TYR 25 HE2 TYR 25 14.121 14.874 -29.293
192 HH TYR 25 HH TYR 25 15.766 16.468 -32.030
193 H LEU 26 HN LEU 26 10.762 9.512 -30.778
194 HA LEU 26 HA LEU 26 11.075 6.923 -32.155
195 HB2 LEU 26 HB1 LEU 26 10.282 7.849 -29.361
196 HB3 LEU 26 HB2 LEU 26 9.832 6.206 -29.910
197 HG LEU 26 HG LEU 26 12.142 5.570 -30.278
198 HD11 LEU 26 HD11 LEU 26 14.050 6.989 -29.396
199 HD12 LEU 26 HD12 LEU 26 12.907 8.387 -29.294
200 HD13 LEU 26 HD13 LEU 26 13.288 7.636 -30.887
201 HD21 LEU 26 HD21 LEU 26 12.848 5.500 -27.888
202 HD22 LEU 26 HD22 LEU 26 11.072 5.211 -28.060
203 HD23 LEU 26 HD23 LEU 26 11.676 6.822 -27.499
204 H HIS 27 HN HIS 27 8.708 9.409 -31.967
205 HA HIS 27 HA HIS 27 6.780 7.638 -33.293
206 HB2 HIS 27 HB1 HIS 27 6.167 9.417 -30.847
207 HB3 HIS 27 HB2 HIS 27 4.891 8.800 -31.955
208 HD2 HIS 27 HD2 HIS 27 6.060 5.635 -32.137
209 HE1 HIS 27 HE1 HIS 27 4.842 5.803 -28.082
210 HE2 HIS 27 HE2 HIS 27 5.366 4.277 -30.073
Start of MODEL 2
1 H1 GLY 1 HN GLY 1 1.489 -0.933 -0.212
2 HA2 GLY 1 HA1 GLY 1 1.119 1.043 -1.714
3 HA3 GLY 1 HA2 GLY 1 1.540 1.492 -0.010
4 H ILE 2 HN ILE 2 4.258 0.391 -0.543
5 HA ILE 2 HA ILE 2 5.555 2.801 -0.949
6 HB ILE 2 HB ILE 2 7.640 1.679 -0.848
7 HG12 ILE 2 HG11 ILE 2 7.340 -0.238 -2.367
8 HG13 ILE 2 HG12 ILE 2 7.992 -0.694 -0.777
9 HG21 ILE 2 HG21 ILE 2 7.357 0.563 1.335
10 HG22 ILE 2 HG22 ILE 2 6.309 2.023 1.228
11 HG23 ILE 2 HG23 ILE 2 5.593 0.379 1.067
12 HD11 ILE 2 HD1 ILE 2 5.090 -1.203 -1.721
13 HD12 ILE 2 HD2 ILE 2 6.405 -2.405 -1.514
14 HD13 ILE 2 HD3 ILE 2 5.732 -1.579 -0.074
15 H GLY 3 HN GLY 3 4.665 0.431 -3.315
16 HA2 GLY 3 HA1 GLY 3 6.286 1.165 -5.487
17 HA3 GLY 3 HA2 GLY 3 4.619 0.498 -5.567
18 H GLY 4 HN GLY 4 3.437 2.828 -4.153
19 HA2 GLY 4 HA1 GLY 4 3.115 4.557 -6.447
20 HA3 GLY 4 HA2 GLY 4 2.324 4.665 -4.836
21 H LYS 5 HN LYS 5 5.420 4.473 -3.989
22 HA LYS 5 HA LYS 5 5.971 7.358 -4.337
23 HB2 LYS 5 HB1 LYS 5 5.923 6.397 -2.013
24 HB3 LYS 5 HB2 LYS 5 7.296 5.336 -2.439
25 HG2 LYS 5 HG1 LYS 5 8.737 7.350 -2.826
26 HG3 LYS 5 HG2 LYS 5 7.318 8.422 -2.602
27 HD2 LYS 5 HD1 LYS 5 7.051 7.570 -0.251
28 HD3 LYS 5 HD2 LYS 5 8.536 6.579 -0.451
29 HE2 LYS 5 HE1 LYS 5 9.902 8.671 -0.782
30 HE3 LYS 5 HE2 LYS 5 8.404 9.676 -0.657
31 HZ1 LYS 5 HZ1 LYS 5 8.100 8.854 1.592
32 HZ2 LYS 5 HZ2 LYS 5 9.610 9.598 1.423
33 HZ3 LYS 5 HZ3 LYS 5 9.501 7.909 1.484
34 H ILE 6 HN ILE 6 7.685 4.142 -4.490
35 HA ILE 6 HA ILE 6 9.870 5.326 -5.826
36 HB ILE 6 HB ILE 6 10.823 3.137 -6.096
37 HG12 ILE 6 HG11 ILE 6 8.201 2.055 -4.891
38 HG13 ILE 6 HG12 ILE 6 8.728 1.825 -6.593
39 HG21 ILE 6 HG21 ILE 6 10.947 4.508 -3.967
40 HG22 ILE 6 HG22 ILE 6 9.544 3.574 -3.314
41 HG23 ILE 6 HG23 ILE 6 11.095 2.742 -3.682
42 HD11 ILE 6 HD1 ILE 6 10.169 0.739 -4.087
43 HD12 ILE 6 HD2 ILE 6 9.253 -0.204 -5.311
44 HD13 ILE 6 HD3 ILE 6 10.793 0.608 -5.771
45 H LEU 7 HN LEU 7 7.063 3.541 -7.297
46 HA LEU 7 HA LEU 7 8.420 3.536 -9.842
47 HB2 LEU 7 HB1 LEU 7 5.495 2.940 -9.178
48 HB3 LEU 7 HB2 LEU 7 6.285 2.647 -10.753
49 HG LEU 7 HG LEU 7 7.005 1.287 -8.090
50 HD11 LEU 7 HD11 LEU 7 5.998 -0.748 -9.113
51 HD12 LEU 7 HD12 LEU 7 5.538 0.204 -10.578
52 HD13 LEU 7 HD13 LEU 7 4.800 0.590 -8.982
53 HD21 LEU 7 HD21 LEU 7 8.400 -0.260 -9.502
54 HD22 LEU 7 HD22 LEU 7 9.033 1.420 -9.507
55 HD23 LEU 7 HD23 LEU 7 8.106 0.805 -10.934
56 H SER 8 HN SER 8 6.382 5.753 -8.110
57 HA SER 8 HA SER 8 5.502 7.291 -10.296
58 HB2 SER 8 HB1 SER 8 5.932 8.092 -7.364
59 HB3 SER 8 HB2 SER 8 4.950 9.004 -8.577
60 HG SER 8 HG1 SER 8 3.910 7.332 -7.094
61 H GLY 9 HN GLY 9 8.628 7.053 -8.804
62 HA2 GLY 9 HA1 GLY 9 9.502 9.372 -10.464
63 HA3 GLY 9 HA2 GLY 9 10.473 8.498 -9.234
64 H LEU 10 HN LEU 10 10.191 5.849 -9.930
65 HA LEU 10 HA LEU 10 12.089 5.749 -11.965
66 HB2 LEU 10 HB1 LEU 10 11.899 4.252 -10.012
67 HB3 LEU 10 HB2 LEU 10 10.419 3.515 -10.669
68 HG LEU 10 HG LEU 10 12.591 2.207 -10.799
69 HD11 LEU 10 HD11 LEU 10 12.161 1.131 -12.920
70 HD12 LEU 10 HD12 LEU 10 11.265 2.556 -13.548
71 HD13 LEU 10 HD13 LEU 10 10.583 1.599 -12.164
72 HD21 LEU 10 HD21 LEU 10 14.114 4.059 -11.510
73 HD22 LEU 10 HD22 LEU 10 13.327 4.078 -13.133
74 HD23 LEU 10 HD23 LEU 10 14.222 2.619 -12.585
75 H LYS 11 HN LYS 11 8.591 4.772 -12.223
76 HA LYS 11 HA LYS 11 8.998 3.963 -14.978
77 HB2 LYS 11 HB1 LYS 11 6.521 4.198 -13.201
78 HB3 LYS 11 HB2 LYS 11 6.398 3.850 -14.945
79 HG2 LYS 11 HG1 LYS 11 7.995 2.096 -12.987
80 HG3 LYS 11 HG2 LYS 11 6.282 1.826 -13.467
81 HD2 LYS 11 HD1 LYS 11 7.001 1.806 -15.899
82 HD3 LYS 11 HD2 LYS 11 8.708 1.811 -15.390
83 HE2 LYS 11 HE1 LYS 11 6.606 -0.373 -14.695
84 HE3 LYS 11 HE2 LYS 11 7.831 -0.482 -16.019
85 HZ1 LYS 11 HZ1 LYS 11 9.568 -0.282 -14.357
86 HZ2 LYS 11 HZ2 LYS 11 8.568 -1.615 -14.045
87 HZ3 LYS 11 HZ3 LYS 11 8.414 -0.203 -13.115
88 H THR 12 HN THR 12 7.684 6.793 -13.244
89 HA THR 12 HA THR 12 6.799 8.236 -15.411
90 HB THR 12 HB THR 12 8.181 9.366 -12.934
91 HG1 THR 12 HG1 THR 12 6.291 9.154 -11.988
92 HG21 THR 12 HG21 THR 12 6.534 11.250 -13.308
93 HG22 THR 12 HG22 THR 12 5.946 10.446 -14.804
94 HG23 THR 12 HG23 THR 12 7.629 11.094 -14.724
95 H ALA 13 HN ALA 13 10.199 8.209 -14.040
96 HA ALA 13 HA ALA 13 11.211 9.920 -16.034
97 HB1 ALA 13 HB1 ALA 13 12.400 9.369 -13.909
98 HB2 ALA 13 HB2 ALA 13 12.564 7.660 -14.435
99 HB3 ALA 13 HB3 ALA 13 13.427 8.971 -15.333
100 H LEU 14 HN LEU 14 11.047 6.327 -15.924
101 HA LEU 14 HA LEU 14 12.429 5.849 -18.268
102 HB2 LEU 14 HB1 LEU 14 11.960 4.231 -16.410
103 HB3 LEU 14 HB2 LEU 14 10.242 4.189 -16.897
104 HG LEU 14 HG LEU 14 10.937 3.186 -19.121
105 HD11 LEU 14 HD11 LEU 14 13.743 3.094 -17.831
106 HD12 LEU 14 HD12 LEU 14 13.275 4.038 -19.295
107 HD13 LEU 14 HD13 LEU 14 13.256 2.242 -19.340
108 HD21 LEU 14 HD21 LEU 14 11.905 1.678 -16.616
109 HD22 LEU 14 HD22 LEU 14 11.492 0.936 -18.207
110 HD23 LEU 14 HD23 LEU 14 10.203 1.748 -17.235
111 H LYS 15 HN LYS 15 8.854 6.228 -17.920
112 HA LYS 15 HA LYS 15 8.718 6.507 -20.828
113 HB2 LYS 15 HB1 LYS 15 8.548 3.978 -19.962
114 HB3 LYS 15 HB2 LYS 15 6.908 4.473 -19.471
115 HG2 LYS 15 HG1 LYS 15 6.626 3.445 -21.538
116 HG3 LYS 15 HG2 LYS 15 6.530 5.163 -21.973
117 HD2 LYS 15 HD1 LYS 15 9.097 3.418 -22.272
118 HD3 LYS 15 HD2 LYS 15 7.804 3.523 -23.486
119 HE2 LYS 15 HE1 LYS 15 8.968 5.162 -24.477
120 HE3 LYS 15 HE2 LYS 15 8.285 6.221 -23.189
121 HZ1 LYS 15 HZ1 LYS 15 10.370 5.591 -21.881
122 HZ2 LYS 15 HZ2 LYS 15 10.550 6.588 -23.218
123 HZ3 LYS 15 HZ3 LYS 15 10.977 4.954 -23.326
124 H GLY 16 HN GLY 16 8.085 8.129 -18.258
125 HA2 GLY 16 HA1 GLY 16 5.599 9.231 -19.456
126 HA3 GLY 16 HA2 GLY 16 6.281 9.621 -17.829
127 H ALA 17 HN ALA 17 8.426 10.641 -17.798
128 HA ALA 17 HA ALA 17 8.619 12.868 -19.477
129 HB1 ALA 17 HB1 ALA 17 9.556 12.737 -17.152
130 HB2 ALA 17 HB2 ALA 17 10.761 11.519 -17.710
131 HB3 ALA 17 HB3 ALA 17 10.829 13.213 -18.331
132 H ALA 18 HN ALA 18 10.481 9.760 -19.603
133 HA ALA 18 HA ALA 18 11.632 10.568 -22.142
134 HB1 ALA 18 HB1 ALA 18 12.988 9.339 -20.473
135 HB2 ALA 18 HB2 ALA 18 11.864 7.946 -20.577
136 HB3 ALA 18 HB3 ALA 18 12.853 8.428 -22.017
137 H LYS 19 HN LYS 19 8.495 9.856 -21.697
138 HA LYS 19 HA LYS 19 8.448 8.587 -24.364
139 HB2 LYS 19 HB1 LYS 19 6.684 7.766 -22.648
140 HB3 LYS 19 HB2 LYS 19 6.007 9.406 -22.714
141 HG2 LYS 19 HG1 LYS 19 6.336 8.566 -25.485
142 HG3 LYS 19 HG2 LYS 19 5.769 7.134 -24.600
143 HD2 LYS 19 HD1 LYS 19 3.673 7.892 -24.744
144 HD3 LYS 19 HD2 LYS 19 4.075 9.236 -23.650
145 HE2 LYS 19 HE1 LYS 19 4.288 9.279 -26.746
146 HE3 LYS 19 HE2 LYS 19 2.951 10.003 -25.768
147 HZ1 LYS 19 HZ1 LYS 19 4.460 11.573 -24.850
148 HZ2 LYS 19 HZ2 LYS 19 4.724 11.584 -26.507
149 HZ3 LYS 19 HZ3 LYS 19 5.801 10.806 -25.479
150 H GLU 20 HN GLU 20 7.505 11.554 -22.462
151 HA GLU 20 HA GLU 20 6.765 12.970 -24.743
152 HB2 GLU 20 HB1 GLU 20 7.715 14.197 -22.115
153 HB3 GLU 20 HB2 GLU 20 6.698 14.940 -23.397
154 HG2 GLU 20 HG1 GLU 20 5.916 12.822 -21.334
155 HG3 GLU 20 HG2 GLU 20 5.069 14.345 -21.792
156 H LEU 21 HN LEU 21 9.952 13.012 -23.088
157 HA LEU 21 HA LEU 21 11.181 14.802 -24.838
158 HB2 LEU 21 HB1 LEU 21 12.055 14.035 -22.607
159 HB3 LEU 21 HB2 LEU 21 12.362 12.416 -23.298
160 HG LEU 21 HG LEU 21 14.049 13.429 -24.874
161 HD11 LEU 21 HD11 LEU 21 13.512 16.031 -23.300
162 HD12 LEU 21 HD12 LEU 21 13.201 15.753 -25.058
163 HD13 LEU 21 HD13 LEU 21 14.885 15.754 -24.436
164 HD21 LEU 21 HD21 LEU 21 14.750 12.448 -22.690
165 HD22 LEU 21 HD22 LEU 21 14.516 14.051 -21.890
166 HD23 LEU 21 HD23 LEU 21 15.792 13.846 -23.147
167 H ALA 22 HN ALA 22 10.485 11.382 -25.247
168 HA ALA 22 HA ALA 22 12.176 11.200 -27.643
169 HB1 ALA 22 HB1 ALA 22 12.288 9.401 -25.899
170 HB2 ALA 22 HB2 ALA 22 10.516 9.124 -26.082
171 HB3 ALA 22 HB3 ALA 22 11.635 8.754 -27.448
172 H SER 23 HN SER 23 9.144 12.426 -27.131
173 HA SER 23 HA SER 23 7.455 10.682 -28.436
174 HB2 SER 23 HB1 SER 23 6.894 12.730 -26.901
175 HB3 SER 23 HB2 SER 23 6.836 13.683 -28.408
176 HG SER 23 HG1 SER 23 5.239 12.213 -29.145
177 H THR 24 HN THR 24 9.207 13.442 -29.894
178 HA THR 24 HA THR 24 7.845 13.059 -32.413
179 HB THR 24 HB THR 24 10.247 14.883 -32.048
180 HG1 THR 24 HG1 THR 24 8.841 16.398 -31.177
181 HG21 THR 24 HG21 THR 24 7.456 15.186 -33.384
182 HG22 THR 24 HG22 THR 24 8.972 14.773 -34.263
183 HG23 THR 24 HG23 THR 24 8.803 16.381 -33.478
184 H TYR 25 HN TYR 25 10.231 11.329 -31.003
185 HA TYR 25 HA TYR 25 11.875 11.086 -33.479
186 HB2 TYR 25 HB1 TYR 25 12.779 10.726 -30.545
187 HB3 TYR 25 HB2 TYR 25 13.836 10.707 -32.013
188 HD1 TYR 25 HD1 TYR 25 13.602 12.881 -33.547
189 HD2 TYR 25 HD2 TYR 25 12.577 12.736 -29.373
190 HE1 TYR 25 HE1 TYR 25 13.769 15.342 -33.419
191 HE2 TYR 25 HE2 TYR 25 12.739 15.199 -29.249
192 HH TYR 25 HH TYR 25 13.628 17.158 -32.101
193 H LEU 26 HN LEU 26 10.513 9.327 -30.657
194 HA LEU 26 HA LEU 26 10.953 6.787 -32.113
195 HB2 LEU 26 HB1 LEU 26 10.528 7.507 -29.158
196 HB3 LEU 26 HB2 LEU 26 10.300 5.837 -29.764
197 HG LEU 26 HG LEU 26 12.433 6.045 -28.682
198 HD11 LEU 26 HD11 LEU 26 12.156 4.444 -30.598
199 HD12 LEU 26 HD12 LEU 26 13.860 5.009 -30.403
200 HD13 LEU 26 HD13 LEU 26 12.836 5.685 -31.715
201 HD21 LEU 26 HD21 LEU 26 14.325 7.358 -29.470
202 HD22 LEU 26 HD22 LEU 26 12.945 8.488 -29.177
203 HD23 LEU 26 HD23 LEU 26 13.383 7.996 -30.857
204 H HIS 27 HN HIS 27 8.647 9.139 -31.791
205 HA HIS 27 HA HIS 27 6.482 9.271 -32.038
206 HB2 HIS 27 HB1 HIS 27 6.903 6.826 -33.814
207 HB3 HIS 27 HB2 HIS 27 5.644 8.116 -34.011
208 HD2 HIS 27 HD2 HIS 27 9.260 7.369 -35.144
209 HE1 HIS 27 HE1 HIS 27 8.778 11.580 -35.290
210 HE2 HIS 27 HE2 HIS 27 10.300 9.618 -35.871
Start of MODEL 3
1 H1 GLY 1 HN GLY 1 1.583 -1.187 -0.267
2 HA2 GLY 1 HA1 GLY 1 1.162 0.796 -1.747
3 HA3 GLY 1 HA2 GLY 1 1.565 1.234 -0.036
4 H ILE 2 HN ILE 2 4.315 0.221 -0.566
5 HA ILE 2 HA ILE 2 5.543 2.671 -0.942
6 HB ILE 2 HB ILE 2 7.660 1.607 -0.841
7 HG12 ILE 2 HG11 ILE 2 7.423 -0.301 -2.381
8 HG13 ILE 2 HG12 ILE 2 8.079 -0.755 -0.793
9 HG21 ILE 2 HG21 ILE 2 6.310 1.892 1.231
10 HG22 ILE 2 HG22 ILE 2 5.641 0.229 1.050
11 HG23 ILE 2 HG23 ILE 2 7.398 0.461 1.328
12 HD11 ILE 2 HD1 ILE 2 5.197 -1.337 -1.757
13 HD12 ILE 2 HD2 ILE 2 6.545 -2.503 -1.556
14 HD13 ILE 2 HD3 ILE 2 5.842 -1.711 -0.111
15 H GLY 3 HN GLY 3 4.736 0.299 -3.335
16 HA2 GLY 3 HA1 GLY 3 6.345 1.102 -5.491
17 HA3 GLY 3 HA2 GLY 3 4.700 0.386 -5.587
18 H GLY 4 HN GLY 4 3.441 2.668 -4.158
19 HA2 GLY 4 HA1 GLY 4 3.082 4.407 -6.439
20 HA3 GLY 4 HA2 GLY 4 2.277 4.477 -4.833
21 H LYS 5 HN LYS 5 5.370 4.370 -3.963
22 HA LYS 5 HA LYS 5 5.836 7.274 -4.278
23 HB2 LYS 5 HB1 LYS 5 5.807 6.287 -1.965
24 HB3 LYS 5 HB2 LYS 5 7.212 5.271 -2.396
25 HG2 LYS 5 HG1 LYS 5 8.596 7.329 -2.755
26 HG3 LYS 5 HG2 LYS 5 7.146 8.357 -2.524
27 HD2 LYS 5 HD1 LYS 5 6.895 7.471 -0.184
28 HD3 LYS 5 HD2 LYS 5 8.407 6.524 -0.390
29 HE2 LYS 5 HE1 LYS 5 9.716 8.657 -0.692
30 HE3 LYS 5 HE2 LYS 5 8.190 9.619 -0.560
31 HZ1 LYS 5 HZ1 LYS 5 9.329 7.858 1.564
32 HZ2 LYS 5 HZ2 LYS 5 7.902 8.762 1.678
33 HZ3 LYS 5 HZ3 LYS 5 9.391 9.550 1.523
34 H ILE 6 HN ILE 6 7.650 4.115 -4.455
35 HA ILE 6 HA ILE 6 9.803 5.379 -5.768
36 HB ILE 6 HB ILE 6 10.823 3.222 -6.058
37 HG12 ILE 6 HG11 ILE 6 8.230 2.048 -4.877
38 HG13 ILE 6 HG12 ILE 6 8.770 1.854 -6.580
39 HG21 ILE 6 HG21 ILE 6 9.520 3.589 -3.277
40 HG22 ILE 6 HG22 ILE 6 11.097 2.808 -3.649
41 HG23 ILE 6 HG23 ILE 6 10.897 4.572 -3.914
42 HD11 ILE 6 HD1 ILE 6 10.234 0.783 -4.081
43 HD12 ILE 6 HD2 ILE 6 9.351 -0.173 -5.319
44 HD13 ILE 6 HD3 ILE 6 10.868 0.691 -5.764
45 H LEU 7 HN LEU 7 7.058 3.527 -7.272
46 HA LEU 7 HA LEU 7 8.430 3.592 -9.808
47 HB2 LEU 7 HB1 LEU 7 5.525 2.884 -9.170
48 HB3 LEU 7 HB2 LEU 7 6.335 2.640 -10.744
49 HG LEU 7 HG LEU 7 7.072 1.270 -8.091
50 HD11 LEU 7 HD11 LEU 7 6.169 -0.787 -9.167
51 HD12 LEU 7 HD12 LEU 7 5.695 0.172 -10.624
52 HD13 LEU 7 HD13 LEU 7 4.916 0.498 -9.035
53 HD21 LEU 7 HD21 LEU 7 8.258 0.892 -10.917
54 HD22 LEU 7 HD22 LEU 7 8.553 -0.201 -9.503
55 HD23 LEU 7 HD23 LEU 7 9.122 1.501 -9.450
56 H SER 8 HN SER 8 6.319 5.734 -8.071
57 HA SER 8 HA SER 8 5.392 7.245 -10.256
58 HB2 SER 8 HB1 SER 8 5.789 8.052 -7.321
59 HB3 SER 8 HB2 SER 8 4.781 8.935 -8.534
60 HG SER 8 HG1 SER 8 3.795 7.221 -7.057
61 H GLY 9 HN GLY 9 8.518 7.114 -8.746
62 HA2 GLY 9 HA1 GLY 9 9.325 9.462 -10.399
63 HA3 GLY 9 HA2 GLY 9 10.315 8.618 -9.164
64 H LEU 10 HN LEU 10 10.118 5.961 -9.867
65 HA LEU 10 HA LEU 10 12.033 5.923 -11.887
66 HB2 LEU 10 HB1 LEU 10 11.871 4.406 -9.947
67 HB3 LEU 10 HB2 LEU 10 10.418 3.632 -10.622
68 HG LEU 10 HG LEU 10 12.626 2.387 -10.747
69 HD11 LEU 10 HD11 LEU 10 10.646 1.739 -12.139
70 HD12 LEU 10 HD12 LEU 10 12.244 1.320 -12.882
71 HD13 LEU 10 HD13 LEU 10 11.317 2.726 -13.506
72 HD21 LEU 10 HD21 LEU 10 13.330 4.301 -13.056
73 HD22 LEU 10 HD22 LEU 10 14.259 2.862 -12.514
74 HD23 LEU 10 HD23 LEU 10 14.104 4.287 -11.426
75 H LYS 11 HN LYS 11 8.563 4.853 -12.183
76 HA LYS 11 HA LYS 11 9.012 4.059 -14.932
77 HB2 LYS 11 HB1 LYS 11 6.496 4.295 -13.206
78 HB3 LYS 11 HB2 LYS 11 6.418 3.923 -14.947
79 HG2 LYS 11 HG1 LYS 11 7.954 2.200 -12.912
80 HG3 LYS 11 HG2 LYS 11 6.265 1.920 -13.466
81 HD2 LYS 11 HD1 LYS 11 7.125 1.905 -15.872
82 HD3 LYS 11 HD2 LYS 11 8.793 1.859 -15.249
83 HE2 LYS 11 HE1 LYS 11 6.573 -0.256 -14.722
84 HE3 LYS 11 HE2 LYS 11 7.906 -0.409 -15.933
85 HZ1 LYS 11 HZ1 LYS 11 9.493 -0.261 -14.119
86 HZ2 LYS 11 HZ2 LYS 11 8.426 -1.560 -13.900
87 HZ3 LYS 11 HZ3 LYS 11 8.233 -0.142 -12.987
88 H THR 12 HN THR 12 7.627 6.875 -13.228
89 HA THR 12 HA THR 12 6.743 8.295 -15.406
90 HB THR 12 HB THR 12 8.066 9.456 -12.910
91 HG1 THR 12 HG1 THR 12 6.180 9.170 -11.973
92 HG21 THR 12 HG21 THR 12 7.475 11.169 -14.702
93 HG22 THR 12 HG22 THR 12 6.366 11.290 -13.292
94 HG23 THR 12 HG23 THR 12 5.812 10.471 -14.794
95 H ALA 13 HN ALA 13 10.119 8.349 -13.984
96 HA ALA 13 HA ALA 13 11.115 10.074 -15.986
97 HB1 ALA 13 HB1 ALA 13 12.279 9.600 -13.828
98 HB2 ALA 13 HB2 ALA 13 12.506 7.887 -14.318
99 HB3 ALA 13 HB3 ALA 13 13.345 9.207 -15.224
100 H LEU 14 HN LEU 14 11.080 6.475 -15.808
101 HA LEU 14 HA LEU 14 12.537 6.016 -18.110
102 HB2 LEU 14 HB1 LEU 14 12.116 4.414 -16.235
103 HB3 LEU 14 HB2 LEU 14 10.407 4.286 -16.736
104 HG LEU 14 HG LEU 14 11.164 3.258 -18.925
105 HD11 LEU 14 HD11 LEU 14 13.460 4.217 -19.109
106 HD12 LEU 14 HD12 LEU 14 13.528 2.421 -19.109
107 HD13 LEU 14 HD13 LEU 14 13.964 3.334 -17.620
108 HD21 LEU 14 HD21 LEU 14 12.192 1.864 -16.377
109 HD22 LEU 14 HD22 LEU 14 11.817 1.061 -17.947
110 HD23 LEU 14 HD23 LEU 14 10.491 1.840 -16.998
111 H LYS 15 HN LYS 15 8.948 6.248 -17.848
112 HA LYS 15 HA LYS 15 8.852 6.429 -20.764
113 HB2 LYS 15 HB1 LYS 15 8.758 3.923 -19.815
114 HB3 LYS 15 HB2 LYS 15 7.095 4.378 -19.364
115 HG2 LYS 15 HG1 LYS 15 6.861 3.284 -21.397
116 HG3 LYS 15 HG2 LYS 15 6.747 4.983 -21.899
117 HD2 LYS 15 HD1 LYS 15 9.345 3.267 -22.084
118 HD3 LYS 15 HD2 LYS 15 8.075 3.309 -23.325
119 HE2 LYS 15 HE1 LYS 15 9.249 4.920 -24.352
120 HE3 LYS 15 HE2 LYS 15 8.505 6.017 -23.132
121 HZ1 LYS 15 HZ1 LYS 15 11.230 4.811 -23.137
122 HZ2 LYS 15 HZ2 LYS 15 10.563 5.489 -21.737
123 HZ3 LYS 15 HZ3 LYS 15 10.758 6.436 -23.100
124 H GLY 16 HN GLY 16 8.153 8.101 -18.256
125 HA2 GLY 16 HA1 GLY 16 5.638 9.091 -19.486
126 HA3 GLY 16 HA2 GLY 16 6.310 9.557 -17.875
127 H ALA 17 HN ALA 17 8.395 10.677 -17.870
128 HA ALA 17 HA ALA 17 8.523 12.816 -19.672
129 HB1 ALA 17 HB1 ALA 17 10.693 13.324 -18.509
130 HB2 ALA 17 HB2 ALA 17 9.416 12.864 -17.328
131 HB3 ALA 17 HB3 ALA 17 10.682 11.667 -17.788
132 H ALA 18 HN ALA 18 10.546 9.807 -19.570
133 HA ALA 18 HA ALA 18 11.705 10.518 -22.134
134 HB1 ALA 18 HB1 ALA 18 12.046 8.005 -20.413
135 HB2 ALA 18 HB2 ALA 18 13.041 8.465 -21.853
136 HB3 ALA 18 HB3 ALA 18 13.089 9.464 -20.359
137 H LYS 19 HN LYS 19 8.611 9.679 -21.682
138 HA LYS 19 HA LYS 19 8.662 8.231 -24.257
139 HB2 LYS 19 HB1 LYS 19 6.794 7.498 -22.653
140 HB3 LYS 19 HB2 LYS 19 6.206 9.179 -22.704
141 HG2 LYS 19 HG1 LYS 19 6.241 8.820 -25.364
142 HG3 LYS 19 HG2 LYS 19 6.275 7.090 -24.970
143 HD2 LYS 19 HD1 LYS 19 4.051 7.089 -24.304
144 HD3 LYS 19 HD2 LYS 19 4.222 8.620 -23.410
145 HE2 LYS 19 HE1 LYS 19 3.803 8.406 -26.468
146 HE3 LYS 19 HE2 LYS 19 2.583 8.898 -25.221
147 HZ1 LYS 19 HZ1 LYS 19 4.992 10.370 -26.135
148 HZ2 LYS 19 HZ2 LYS 19 4.322 10.645 -24.611
149 HZ3 LYS 19 HZ3 LYS 19 3.417 10.945 -25.939
150 H GLU 20 HN GLU 20 7.328 11.257 -22.677
151 HA GLU 20 HA GLU 20 6.677 12.434 -25.038
152 HB2 GLU 20 HB1 GLU 20 7.532 13.995 -22.546
153 HB3 GLU 20 HB2 GLU 20 6.441 14.524 -23.871
154 HG2 GLU 20 HG1 GLU 20 5.868 12.516 -21.622
155 HG3 GLU 20 HG2 GLU 20 4.943 13.986 -22.100
156 H LEU 21 HN LEU 21 9.837 12.843 -23.377
157 HA LEU 21 HA LEU 21 10.819 14.672 -25.314
158 HB2 LEU 21 HB1 LEU 21 11.548 13.857 -22.804
159 HB3 LEU 21 HB2 LEU 21 12.757 12.949 -23.748
160 HG LEU 21 HG LEU 21 12.245 15.992 -23.841
161 HD11 LEU 21 HD11 LEU 21 14.492 14.398 -22.455
162 HD12 LEU 21 HD12 LEU 21 13.113 15.226 -21.631
163 HD13 LEU 21 HD13 LEU 21 14.347 16.195 -22.522
164 HD21 LEU 21 HD21 LEU 21 14.523 14.333 -25.099
165 HD22 LEU 21 HD22 LEU 21 14.505 16.132 -24.964
166 HD23 LEU 21 HD23 LEU 21 13.276 15.297 -25.971
167 H ALA 22 HN ALA 22 10.330 11.255 -25.483
168 HA ALA 22 HA ALA 22 12.305 10.952 -27.659
169 HB1 ALA 22 HB1 ALA 22 12.380 9.268 -25.803
170 HB2 ALA 22 HB2 ALA 22 10.644 8.883 -26.099
171 HB3 ALA 22 HB3 ALA 22 11.882 8.510 -27.362
172 H SER 23 HN SER 23 8.946 11.641 -27.191
173 HA SER 23 HA SER 23 7.943 10.024 -29.300
174 HB2 SER 23 HB1 SER 23 6.738 12.224 -27.600
175 HB3 SER 23 HB2 SER 23 5.894 11.754 -29.113
176 HG SER 23 HG1 SER 23 5.872 9.637 -28.428
177 H THR 24 HN THR 24 9.533 13.138 -29.427
178 HA THR 24 HA THR 24 8.701 13.918 -31.964
179 HB THR 24 HB THR 24 11.580 14.061 -30.941
180 HG1 THR 24 HG1 THR 24 10.921 15.940 -29.926
181 HG21 THR 24 HG21 THR 24 9.804 15.979 -32.619
182 HG22 THR 24 HG22 THR 24 11.123 14.947 -33.284
183 HG23 THR 24 HG23 THR 24 11.518 16.280 -32.144
184 H TYR 25 HN TYR 25 10.952 11.362 -30.968
185 HA TYR 25 HA TYR 25 11.823 10.991 -33.776
186 HB2 TYR 25 HB1 TYR 25 13.190 10.043 -31.177
187 HB3 TYR 25 HB2 TYR 25 13.909 10.085 -32.834
188 HD1 TYR 25 HD1 TYR 25 13.830 12.522 -33.967
189 HD2 TYR 25 HD2 TYR 25 13.673 11.786 -29.734
190 HE1 TYR 25 HE1 TYR 25 14.565 14.842 -33.537
191 HE2 TYR 25 HE2 TYR 25 14.403 14.114 -29.305
192 HH TYR 25 HH TYR 25 15.117 16.368 -31.978
193 H LEU 26 HN LEU 26 10.572 9.249 -30.916
194 HA LEU 26 HA LEU 26 10.482 6.731 -32.452
195 HB2 LEU 26 HB1 LEU 26 10.393 7.408 -29.454
196 HB3 LEU 26 HB2 LEU 26 9.919 5.804 -30.088
197 HG LEU 26 HG LEU 26 12.180 5.478 -31.065
198 HD11 LEU 26 HD11 LEU 26 14.100 6.819 -30.075
199 HD12 LEU 26 HD12 LEU 26 12.898 8.037 -29.495
200 HD13 LEU 26 HD13 LEU 26 13.111 7.726 -31.264
201 HD21 LEU 26 HD21 LEU 26 13.230 4.907 -28.881
202 HD22 LEU 26 HD22 LEU 26 11.473 4.498 -28.888
203 HD23 LEU 26 HD23 LEU 26 12.054 5.978 -28.024
204 H HIS 27 HN HIS 27 8.496 9.332 -32.004
205 HA HIS 27 HA HIS 27 6.340 9.700 -32.042
206 HB2 HIS 27 HB1 HIS 27 6.299 7.096 -33.627
207 HB3 HIS 27 HB2 HIS 27 5.116 8.468 -33.758
208 HD2 HIS 27 HD2 HIS 27 8.631 7.450 -35.133
209 HE1 HIS 27 HE1 HIS 27 8.331 11.669 -35.432
210 HE2 HIS 27 HE2 HIS 27 9.753 9.615 -35.963
Start of MODEL 4
1 H1 GLY 1 HN GLY 1 1.509 -0.751 0.050
2 HA2 GLY 1 HA1 GLY 1 1.093 1.161 -1.549
3 HA3 GLY 1 HA2 GLY 1 1.559 1.664 0.127
4 H ILE 2 HN ILE 2 4.257 0.573 -0.372
5 HA ILE 2 HA ILE 2 5.537 2.957 -0.911
6 HB ILE 2 HB ILE 2 7.628 1.850 -0.767
7 HG12 ILE 2 HG11 ILE 2 7.328 -0.145 -2.182
8 HG13 ILE 2 HG12 ILE 2 7.989 -0.513 -0.574
9 HG21 ILE 2 HG21 ILE 2 6.310 2.300 1.293
10 HG22 ILE 2 HG22 ILE 2 5.595 0.648 1.225
11 HG23 ILE 2 HG23 ILE 2 7.360 0.851 1.471
12 HD11 ILE 2 HD1 ILE 2 5.084 -1.084 -1.472
13 HD12 ILE 2 HD2 ILE 2 6.405 -2.268 -1.209
14 HD13 ILE 2 HD3 ILE 2 5.738 -1.368 0.189
15 H GLY 3 HN GLY 3 4.686 0.447 -3.169
16 HA2 GLY 3 HA1 GLY 3 6.302 1.136 -5.362
17 HA3 GLY 3 HA2 GLY 3 4.657 0.416 -5.426
18 H GLY 4 HN GLY 4 3.368 2.753 -4.144
19 HA2 GLY 4 HA1 GLY 4 3.072 4.406 -6.506
20 HA3 GLY 4 HA2 GLY 4 2.208 4.524 -4.933
21 H LYS 5 HN LYS 5 5.252 4.444 -3.932
22 HA LYS 5 HA LYS 5 5.679 7.348 -4.180
23 HB2 LYS 5 HB1 LYS 5 5.660 5.958 -1.955
24 HB3 LYS 5 HB2 LYS 5 7.283 5.408 -2.423
25 HG2 LYS 5 HG1 LYS 5 6.337 8.326 -2.000
26 HG3 LYS 5 HG2 LYS 5 7.217 7.315 -0.807
27 HD2 LYS 5 HD1 LYS 5 9.142 7.128 -2.484
28 HD3 LYS 5 HD2 LYS 5 8.342 8.375 -3.477
29 HE2 LYS 5 HE1 LYS 5 9.348 8.685 -0.555
30 HE3 LYS 5 HE2 LYS 5 10.125 9.373 -2.035
31 HZ1 LYS 5 HZ1 LYS 5 8.120 10.676 -2.404
32 HZ2 LYS 5 HZ2 LYS 5 8.784 11.003 -0.876
33 HZ3 LYS 5 HZ3 LYS 5 7.405 10.027 -1.012
34 H ILE 6 HN ILE 6 7.515 4.221 -4.497
35 HA ILE 6 HA ILE 6 9.667 5.554 -5.777
36 HB ILE 6 HB ILE 6 10.742 3.425 -6.046
37 HG12 ILE 6 HG11 ILE 6 8.174 2.190 -4.871
38 HG13 ILE 6 HG12 ILE 6 8.736 1.993 -6.566
39 HG21 ILE 6 HG21 ILE 6 10.773 4.791 -3.909
40 HG22 ILE 6 HG22 ILE 6 9.421 3.774 -3.271
41 HG23 ILE 6 HG23 ILE 6 11.019 3.035 -3.632
42 HD11 ILE 6 HD1 ILE 6 10.858 0.898 -5.716
43 HD12 ILE 6 HD2 ILE 6 10.202 0.988 -4.041
44 HD13 ILE 6 HD3 ILE 6 9.361 -0.003 -5.280
45 H LEU 7 HN LEU 7 6.983 3.591 -7.268
46 HA LEU 7 HA LEU 7 8.372 3.624 -9.784
47 HB2 LEU 7 HB1 LEU 7 5.467 2.906 -9.154
48 HB3 LEU 7 HB2 LEU 7 6.285 2.631 -10.719
49 HG LEU 7 HG LEU 7 7.045 1.339 -8.033
50 HD11 LEU 7 HD11 LEU 7 5.648 0.160 -10.517
51 HD12 LEU 7 HD12 LEU 7 4.883 0.528 -8.930
52 HD13 LEU 7 HD13 LEU 7 6.144 -0.753 -9.039
53 HD21 LEU 7 HD21 LEU 7 8.193 0.879 -10.863
54 HD22 LEU 7 HD22 LEU 7 8.520 -0.159 -9.418
55 HD23 LEU 7 HD23 LEU 7 9.077 1.547 -9.433
56 H SER 8 HN SER 8 6.176 5.763 -8.160
57 HA SER 8 HA SER 8 5.308 7.252 -10.374
58 HB2 SER 8 HB1 SER 8 5.666 8.100 -7.444
59 HB3 SER 8 HB2 SER 8 4.663 8.958 -8.680
60 HG SER 8 HG1 SER 8 3.695 7.237 -7.176
61 H GLY 9 HN GLY 9 8.418 7.121 -8.846
62 HA2 GLY 9 HA1 GLY 9 9.240 9.468 -10.493
63 HA3 GLY 9 HA2 GLY 9 10.213 8.648 -9.227
64 H LEU 10 HN LEU 10 10.041 5.984 -9.890
65 HA LEU 10 HA LEU 10 11.996 5.920 -11.870
66 HB2 LEU 10 HB1 LEU 10 11.797 4.442 -9.900
67 HB3 LEU 10 HB2 LEU 10 10.366 3.643 -10.597
68 HG LEU 10 HG LEU 10 12.586 2.413 -10.641
69 HD11 LEU 10 HD11 LEU 10 12.267 1.303 -12.764
70 HD12 LEU 10 HD12 LEU 10 11.345 2.689 -13.437
71 HD13 LEU 10 HD13 LEU 10 10.649 1.721 -12.069
72 HD21 LEU 10 HD21 LEU 10 14.260 2.867 -12.374
73 HD22 LEU 10 HD22 LEU 10 14.067 4.311 -11.319
74 HD23 LEU 10 HD23 LEU 10 13.334 4.287 -12.968
75 H LYS 11 HN LYS 11 8.545 4.807 -12.212
76 HA LYS 11 HA LYS 11 9.047 3.985 -14.944
77 HB2 LYS 11 HB1 LYS 11 6.522 4.191 -13.231
78 HB3 LYS 11 HB2 LYS 11 6.436 3.849 -14.978
79 HG2 LYS 11 HG1 LYS 11 8.007 2.097 -12.997
80 HG3 LYS 11 HG2 LYS 11 6.307 1.820 -13.521
81 HD2 LYS 11 HD1 LYS 11 7.109 1.853 -15.943
82 HD3 LYS 11 HD2 LYS 11 8.793 1.808 -15.364
83 HE2 LYS 11 HE1 LYS 11 6.606 -0.334 -14.811
84 HE3 LYS 11 HE2 LYS 11 7.895 -0.451 -16.072
85 HZ1 LYS 11 HZ1 LYS 11 8.493 -1.642 -14.083
86 HZ2 LYS 11 HZ2 LYS 11 8.334 -0.241 -13.137
87 HZ3 LYS 11 HZ3 LYS 11 9.547 -0.335 -14.320
88 H THR 12 HN THR 12 7.606 6.800 -13.290
89 HA THR 12 HA THR 12 6.741 8.191 -15.494
90 HB THR 12 HB THR 12 8.020 9.395 -12.996
91 HG1 THR 12 HG1 THR 12 6.112 9.126 -12.088
92 HG21 THR 12 HG21 THR 12 5.781 10.364 -14.922
93 HG22 THR 12 HG22 THR 12 7.436 11.079 -14.819
94 HG23 THR 12 HG23 THR 12 6.309 11.209 -13.425
95 H ALA 13 HN ALA 13 10.096 8.297 -14.025
96 HA ALA 13 HA ALA 13 11.104 10.027 -16.008
97 HB1 ALA 13 HB1 ALA 13 12.493 7.847 -14.329
98 HB2 ALA 13 HB2 ALA 13 13.331 9.179 -15.218
99 HB3 ALA 13 HB3 ALA 13 12.242 9.556 -13.835
100 H LEU 14 HN LEU 14 11.086 6.429 -15.848
101 HA LEU 14 HA LEU 14 12.577 5.984 -18.133
102 HB2 LEU 14 HB1 LEU 14 12.117 4.369 -16.274
103 HB3 LEU 14 HB2 LEU 14 10.416 4.253 -16.807
104 HG LEU 14 HG LEU 14 11.209 3.244 -18.993
105 HD11 LEU 14 HD11 LEU 14 13.569 2.392 -19.140
106 HD12 LEU 14 HD12 LEU 14 13.983 3.286 -17.633
107 HD13 LEU 14 HD13 LEU 14 13.514 4.188 -19.123
108 HD21 LEU 14 HD21 LEU 14 11.827 1.033 -18.028
109 HD22 LEU 14 HD22 LEU 14 10.487 1.810 -17.097
110 HD23 LEU 14 HD23 LEU 14 12.176 1.815 -16.441
111 H LYS 15 HN LYS 15 8.977 6.189 -17.916
112 HA LYS 15 HA LYS 15 8.929 6.444 -20.826
113 HB2 LYS 15 HB1 LYS 15 8.867 3.909 -19.959
114 HB3 LYS 15 HB2 LYS 15 7.183 4.314 -19.536
115 HG2 LYS 15 HG1 LYS 15 7.046 3.272 -21.614
116 HG3 LYS 15 HG2 LYS 15 6.871 4.984 -22.052
117 HD2 LYS 15 HD1 LYS 15 9.545 3.391 -22.237
118 HD3 LYS 15 HD2 LYS 15 8.305 3.422 -23.510
119 HE2 LYS 15 HE1 LYS 15 9.374 5.148 -24.451
120 HE3 LYS 15 HE2 LYS 15 8.632 6.153 -23.153
121 HZ1 LYS 15 HZ1 LYS 15 10.713 5.610 -21.826
122 HZ2 LYS 15 HZ2 LYS 15 10.884 6.608 -23.163
123 HZ3 LYS 15 HZ3 LYS 15 11.373 4.990 -23.257
124 H GLY 16 HN GLY 16 8.143 8.055 -18.317
125 HA2 GLY 16 HA1 GLY 16 5.629 9.000 -19.589
126 HA3 GLY 16 HA2 GLY 16 6.245 9.451 -17.952
127 H ALA 17 HN ALA 17 8.319 10.590 -17.876
128 HA ALA 17 HA ALA 17 8.439 12.800 -19.585
129 HB1 ALA 17 HB1 ALA 17 10.583 11.610 -17.710
130 HB2 ALA 17 HB2 ALA 17 10.578 13.295 -18.360
131 HB3 ALA 17 HB3 ALA 17 9.288 12.765 -17.224
132 H ALA 18 HN ALA 18 10.489 9.808 -19.585
133 HA ALA 18 HA ALA 18 11.698 10.657 -22.084
134 HB1 ALA 18 HB1 ALA 18 13.049 9.521 -20.337
135 HB2 ALA 18 HB2 ALA 18 12.015 8.062 -20.484
136 HB3 ALA 18 HB3 ALA 18 13.039 8.597 -21.879
137 H LYS 19 HN LYS 19 8.601 9.773 -21.756
138 HA LYS 19 HA LYS 19 8.711 8.454 -24.391
139 HB2 LYS 19 HB1 LYS 19 6.901 7.845 -22.541
140 HB3 LYS 19 HB2 LYS 19 6.107 9.335 -23.060
141 HG2 LYS 19 HG1 LYS 19 6.869 6.878 -24.773
142 HG3 LYS 19 HG2 LYS 19 5.238 7.237 -24.149
143 HD2 LYS 19 HD1 LYS 19 6.669 9.005 -26.269
144 HD3 LYS 19 HD2 LYS 19 5.702 7.566 -26.617
145 HE2 LYS 19 HE1 LYS 19 4.035 9.026 -26.959
146 HE3 LYS 19 HE2 LYS 19 3.776 8.809 -25.184
147 HZ1 LYS 19 HZ1 LYS 19 3.808 11.169 -25.903
148 HZ2 LYS 19 HZ2 LYS 19 5.390 11.004 -26.434
149 HZ3 LYS 19 HZ3 LYS 19 4.925 10.839 -24.792
150 H GLU 20 HN GLU 20 7.383 11.388 -22.665
151 HA GLU 20 HA GLU 20 6.809 12.757 -24.960
152 HB2 GLU 20 HB1 GLU 20 7.568 14.085 -22.313
153 HB3 GLU 20 HB2 GLU 20 6.539 14.732 -23.636
154 HG2 GLU 20 HG1 GLU 20 5.858 12.567 -21.576
155 HG3 GLU 20 HG2 GLU 20 4.939 14.055 -22.015
156 H LEU 21 HN LEU 21 9.881 13.046 -23.116
157 HA LEU 21 HA LEU 21 11.050 14.996 -24.733
158 HB2 LEU 21 HB1 LEU 21 11.760 14.304 -22.463
159 HB3 LEU 21 HB2 LEU 21 12.340 12.736 -23.081
160 HG LEU 21 HG LEU 21 13.469 15.305 -24.278
161 HD11 LEU 21 HD11 LEU 21 15.144 15.479 -22.439
162 HD12 LEU 21 HD12 LEU 21 14.299 14.169 -21.532
163 HD13 LEU 21 HD13 LEU 21 13.470 15.747 -21.828
164 HD21 LEU 21 HD21 LEU 21 15.594 13.971 -24.326
165 HD22 LEU 21 HD22 LEU 21 14.281 13.116 -25.199
166 HD23 LEU 21 HD23 LEU 21 14.752 12.586 -23.538
167 H ALA 22 HN ALA 22 10.807 11.509 -25.229
168 HA ALA 22 HA ALA 22 12.689 11.624 -27.488
169 HB1 ALA 22 HB1 ALA 22 11.330 9.283 -26.013
170 HB2 ALA 22 HB2 ALA 22 12.609 9.131 -27.278
171 HB3 ALA 22 HB3 ALA 22 12.998 9.891 -25.694
172 H SER 23 HN SER 23 9.496 12.304 -27.176
173 HA SER 23 HA SER 23 8.174 10.278 -28.451
174 HB2 SER 23 HB1 SER 23 7.259 12.278 -27.030
175 HB3 SER 23 HB2 SER 23 7.057 13.126 -28.586
176 HG SER 23 HG1 SER 23 5.771 11.327 -29.249
177 H THR 24 HN THR 24 9.506 13.198 -30.017
178 HA THR 24 HA THR 24 8.469 12.828 -32.557
179 HB THR 24 HB THR 24 11.272 13.884 -31.928
180 HG1 THR 24 HG1 THR 24 10.210 15.841 -31.602
181 HG21 THR 24 HG21 THR 24 9.096 14.671 -34.001
182 HG22 THR 24 HG22 THR 24 10.593 13.745 -34.380
183 HG23 THR 24 HG23 THR 24 10.712 15.449 -33.826
184 H TYR 25 HN TYR 25 11.330 11.339 -31.014
185 HA TYR 25 HA TYR 25 12.285 10.366 -33.604
186 HB2 TYR 25 HB1 TYR 25 13.591 10.170 -30.812
187 HB3 TYR 25 HB2 TYR 25 14.408 9.983 -32.413
188 HD1 TYR 25 HD1 TYR 25 14.195 12.058 -34.029
189 HD2 TYR 25 HD2 TYR 25 13.572 12.267 -29.782
190 HE1 TYR 25 HE1 TYR 25 14.517 14.509 -34.104
191 HE2 TYR 25 HE2 TYR 25 13.885 14.726 -29.860
192 HH TYR 25 HH TYR 25 14.647 16.417 -32.904
193 H LEU 26 HN LEU 26 10.545 9.230 -30.893
194 HA LEU 26 HA LEU 26 10.917 6.399 -31.677
195 HB2 LEU 26 HB1 LEU 26 10.315 7.778 -29.010
196 HB3 LEU 26 HB2 LEU 26 9.799 6.085 -29.278
197 HG LEU 26 HG LEU 26 11.865 6.228 -27.995
198 HD11 LEU 26 HD11 LEU 26 13.103 4.456 -29.205
199 HD12 LEU 26 HD12 LEU 26 12.284 4.895 -30.741
200 HD13 LEU 26 HD13 LEU 26 11.321 4.206 -29.384
201 HD21 LEU 26 HD21 LEU 26 13.338 7.147 -30.528
202 HD22 LEU 26 HD22 LEU 26 14.029 6.857 -28.897
203 HD23 LEU 26 HD23 LEU 26 12.909 8.254 -29.175
204 H HIS 27 HN HIS 27 9.328 8.363 -33.071
205 HA HIS 27 HA HIS 27 6.571 7.919 -32.320
206 HB2 HIS 27 HB1 HIS 27 7.583 10.079 -33.332
207 HB3 HIS 27 HB2 HIS 27 7.595 9.221 -34.902
208 HD2 HIS 27 HD2 HIS 27 5.502 11.792 -33.400
209 HE1 HIS 27 HE1 HIS 27 2.704 9.132 -35.169
210 HE2 HIS 27 HE2 HIS 27 3.067 11.482 -34.232
Start of MODEL 5
1 H1 GLY 1 HN GLY 1 1.425 -1.228 -0.684
2 HA2 GLY 1 HA1 GLY 1 0.951 0.803 -2.077
3 HA3 GLY 1 HA2 GLY 1 1.308 1.180 -0.341
4 H ILE 2 HN ILE 2 4.111 0.324 -0.825
5 HA ILE 2 HA ILE 2 5.179 2.878 -1.146
6 HB ILE 2 HB ILE 2 7.352 1.969 -0.887
7 HG12 ILE 2 HG11 ILE 2 7.352 0.036 -2.411
8 HG13 ILE 2 HG12 ILE 2 7.935 -0.357 -0.778
9 HG21 ILE 2 HG21 ILE 2 7.040 0.832 1.280
10 HG22 ILE 2 HG22 ILE 2 5.856 2.175 1.094
11 HG23 ILE 2 HG23 ILE 2 5.326 0.465 0.897
12 HD11 ILE 2 HD1 ILE 2 6.584 -2.218 -1.612
13 HD12 ILE 2 HD2 ILE 2 5.725 -1.463 -0.232
14 HD13 ILE 2 HD3 ILE 2 5.175 -1.154 -1.926
15 H GLY 3 HN GLY 3 4.528 0.500 -3.533
16 HA2 GLY 3 HA1 GLY 3 6.225 1.282 -5.637
17 HA3 GLY 3 HA2 GLY 3 4.577 0.579 -5.785
18 H GLY 4 HN GLY 4 3.280 2.848 -4.393
19 HA2 GLY 4 HA1 GLY 4 3.005 4.609 -6.663
20 HA3 GLY 4 HA2 GLY 4 2.159 4.679 -5.079
21 H LYS 5 HN LYS 5 5.235 4.541 -4.143
22 HA LYS 5 HA LYS 5 5.735 7.443 -4.436
23 HB2 LYS 5 HB1 LYS 5 5.610 6.462 -2.122
24 HB3 LYS 5 HB2 LYS 5 7.021 5.433 -2.498
25 HG2 LYS 5 HG1 LYS 5 8.436 7.478 -2.807
26 HG3 LYS 5 HG2 LYS 5 6.987 8.520 -2.635
27 HD2 LYS 5 HD1 LYS 5 6.636 7.641 -0.305
28 HD3 LYS 5 HD2 LYS 5 8.148 6.681 -0.449
29 HE2 LYS 5 HE1 LYS 5 9.484 8.803 -0.701
30 HE3 LYS 5 HE2 LYS 5 7.962 9.777 -0.633
31 HZ1 LYS 5 HZ1 LYS 5 9.078 9.703 1.497
32 HZ2 LYS 5 HZ2 LYS 5 9.001 8.012 1.539
33 HZ3 LYS 5 HZ3 LYS 5 7.578 8.929 1.594
34 H ILE 6 HN ILE 6 7.524 4.265 -4.532
35 HA ILE 6 HA ILE 6 9.739 5.501 -5.759
36 HB ILE 6 HB ILE 6 10.755 3.343 -5.994
37 HG12 ILE 6 HG11 ILE 6 8.095 2.180 -4.962
38 HG13 ILE 6 HG12 ILE 6 8.732 1.985 -6.631
39 HG21 ILE 6 HG21 ILE 6 10.904 2.918 -3.576
40 HG22 ILE 6 HG22 ILE 6 10.722 4.684 -3.841
41 HG23 ILE 6 HG23 ILE 6 9.312 3.700 -3.282
42 HD11 ILE 6 HD1 ILE 6 9.226 -0.047 -5.342
43 HD12 ILE 6 HD2 ILE 6 10.772 0.807 -5.694
44 HD13 ILE 6 HD3 ILE 6 10.039 0.900 -4.051
45 H LEU 7 HN LEU 7 7.033 3.693 -7.367
46 HA LEU 7 HA LEU 7 8.488 3.738 -9.858
47 HB2 LEU 7 HB1 LEU 7 5.548 3.084 -9.325
48 HB3 LEU 7 HB2 LEU 7 6.432 2.775 -10.847
49 HG LEU 7 HG LEU 7 7.015 1.477 -8.119
50 HD11 LEU 7 HD11 LEU 7 6.091 -0.590 -9.152
51 HD12 LEU 7 HD12 LEU 7 5.711 0.322 -10.663
52 HD13 LEU 7 HD13 LEU 7 4.870 0.735 -9.125
53 HD21 LEU 7 HD21 LEU 7 8.513 -0.074 -9.391
54 HD22 LEU 7 HD22 LEU 7 9.116 1.619 -9.451
55 HD23 LEU 7 HD23 LEU 7 8.263 0.910 -10.884
56 H SER 8 HN SER 8 6.270 5.862 -8.192
57 HA SER 8 HA SER 8 5.483 7.431 -10.390
58 HB2 SER 8 HB1 SER 8 5.736 8.189 -7.423
59 HB3 SER 8 HB2 SER 8 4.788 9.091 -8.670
60 HG SER 8 HG1 SER 8 3.729 7.374 -7.261
61 H GLY 9 HN GLY 9 8.465 7.212 -8.697
62 HA2 GLY 9 HA1 GLY 9 9.530 9.575 -10.125
63 HA3 GLY 9 HA2 GLY 9 10.399 8.514 -8.956
64 H LEU 10 HN LEU 10 10.497 6.138 -9.706
65 HA LEU 10 HA LEU 10 12.290 6.214 -11.795
66 HB2 LEU 10 HB1 LEU 10 12.284 4.742 -9.801
67 HB3 LEU 10 HB2 LEU 10 10.907 3.818 -10.444
68 HG LEU 10 HG LEU 10 13.238 2.798 -10.551
69 HD11 LEU 10 HD11 LEU 10 11.864 2.923 -13.294
70 HD12 LEU 10 HD12 LEU 10 11.335 1.901 -11.887
71 HD13 LEU 10 HD13 LEU 10 12.958 1.641 -12.655
72 HD21 LEU 10 HD21 LEU 10 14.505 4.818 -11.304
73 HD22 LEU 10 HD22 LEU 10 13.724 4.699 -12.926
74 HD23 LEU 10 HD23 LEU 10 14.802 3.383 -12.346
75 H LYS 11 HN LYS 11 8.874 4.964 -12.013
76 HA LYS 11 HA LYS 11 9.443 4.210 -14.802
77 HB2 LYS 11 HB1 LYS 11 7.106 3.676 -12.923
78 HB3 LYS 11 HB2 LYS 11 6.981 3.387 -14.681
79 HG2 LYS 11 HG1 LYS 11 9.133 2.077 -12.919
80 HG3 LYS 11 HG2 LYS 11 7.537 1.345 -13.303
81 HD2 LYS 11 HD1 LYS 11 8.014 1.542 -15.752
82 HD3 LYS 11 HD2 LYS 11 9.659 2.136 -15.416
83 HE2 LYS 11 HE1 LYS 11 8.549 -0.640 -14.566
84 HE3 LYS 11 HE2 LYS 11 9.538 -0.324 -16.046
85 HZ1 LYS 11 HZ1 LYS 11 11.318 0.475 -14.632
86 HZ2 LYS 11 HZ2 LYS 11 10.889 -1.115 -14.233
87 HZ3 LYS 11 HZ3 LYS 11 10.399 0.172 -13.240
88 H THR 12 HN THR 12 7.911 6.834 -12.971
89 HA THR 12 HA THR 12 6.662 8.024 -15.202
90 HB THR 12 HB THR 12 8.057 9.412 -12.870
91 HG1 THR 12 HG1 THR 12 6.176 9.260 -11.920
92 HG21 THR 12 HG21 THR 12 7.523 11.002 -14.782
93 HG22 THR 12 HG22 THR 12 6.402 11.252 -13.403
94 HG23 THR 12 HG23 THR 12 5.844 10.337 -14.847
95 H ALA 13 HN ALA 13 10.066 8.329 -13.969
96 HA ALA 13 HA ALA 13 10.955 9.912 -16.110
97 HB1 ALA 13 HB1 ALA 13 13.230 9.210 -15.324
98 HB2 ALA 13 HB2 ALA 13 12.161 9.645 -13.944
99 HB3 ALA 13 HB3 ALA 13 12.470 7.915 -14.320
100 H LEU 14 HN LEU 14 11.146 6.329 -15.685
101 HA LEU 14 HA LEU 14 12.489 5.967 -18.142
102 HB2 LEU 14 HB1 LEU 14 12.631 4.550 -16.039
103 HB3 LEU 14 HB2 LEU 14 10.994 3.929 -16.401
104 HG LEU 14 HG LEU 14 11.922 2.960 -18.574
105 HD11 LEU 14 HD11 LEU 14 14.639 3.856 -17.407
106 HD12 LEU 14 HD12 LEU 14 13.879 4.446 -18.933
107 HD13 LEU 14 HD13 LEU 14 14.413 2.739 -18.803
108 HD21 LEU 14 HD21 LEU 14 13.165 1.096 -17.478
109 HD22 LEU 14 HD22 LEU 14 11.682 1.555 -16.553
110 HD23 LEU 14 HD23 LEU 14 13.326 2.080 -15.976
111 H LYS 15 HN LYS 15 9.070 6.232 -17.506
112 HA LYS 15 HA LYS 15 8.613 5.345 -20.265
113 HB2 LYS 15 HB1 LYS 15 7.499 3.755 -18.723
114 HB3 LYS 15 HB2 LYS 15 6.564 5.112 -18.039
115 HG2 LYS 15 HG1 LYS 15 5.110 4.060 -19.545
116 HG3 LYS 15 HG2 LYS 15 5.577 5.536 -20.400
117 HD2 LYS 15 HD1 LYS 15 6.622 2.655 -20.868
118 HD3 LYS 15 HD2 LYS 15 5.373 3.478 -21.827
119 HE2 LYS 15 HE1 LYS 15 8.405 4.065 -21.823
120 HE3 LYS 15 HE2 LYS 15 7.387 3.400 -23.143
121 HZ1 LYS 15 HZ1 LYS 15 7.808 5.671 -23.578
122 HZ2 LYS 15 HZ2 LYS 15 7.337 6.172 -22.051
123 HZ3 LYS 15 HZ3 LYS 15 6.174 5.565 -23.122
124 H GLY 16 HN GLY 16 6.870 7.481 -17.908
125 HA2 GLY 16 HA1 GLY 16 5.570 8.948 -19.903
126 HA3 GLY 16 HA2 GLY 16 5.942 9.496 -18.234
127 H ALA 17 HN ALA 17 8.445 10.131 -18.046
128 HA ALA 17 HA ALA 17 8.744 12.429 -19.630
129 HB1 ALA 17 HB1 ALA 17 10.888 10.959 -17.980
130 HB2 ALA 17 HB2 ALA 17 10.933 12.686 -18.493
131 HB3 ALA 17 HB3 ALA 17 9.694 12.137 -17.306
132 H ALA 18 HN ALA 18 10.395 9.269 -19.850
133 HA ALA 18 HA ALA 18 11.920 9.647 -22.089
134 HB1 ALA 18 HB1 ALA 18 11.932 7.600 -20.671
135 HB2 ALA 18 HB2 ALA 18 10.304 7.152 -21.288
136 HB3 ALA 18 HB3 ALA 18 11.726 7.182 -22.406
137 H LYS 19 HN LYS 19 8.369 8.931 -22.096
138 HA LYS 19 HA LYS 19 8.213 8.784 -24.949
139 HB2 LYS 19 HB1 LYS 19 6.474 8.130 -22.961
140 HB3 LYS 19 HB2 LYS 19 5.857 9.747 -23.257
141 HG2 LYS 19 HG1 LYS 19 6.049 7.394 -25.238
142 HG3 LYS 19 HG2 LYS 19 4.558 8.029 -24.476
143 HD2 LYS 19 HD1 LYS 19 6.251 9.525 -26.592
144 HD3 LYS 19 HD2 LYS 19 4.865 8.477 -26.915
145 HE2 LYS 19 HE1 LYS 19 3.862 10.527 -27.092
146 HE3 LYS 19 HE2 LYS 19 3.426 10.075 -25.398
147 HZ1 LYS 19 HZ1 LYS 19 5.043 11.538 -24.587
148 HZ2 LYS 19 HZ2 LYS 19 4.251 12.409 -25.671
149 HZ3 LYS 19 HZ3 LYS 19 5.766 11.812 -26.110
150 H GLU 20 HN GLU 20 7.590 11.517 -22.615
151 HA GLU 20 HA GLU 20 6.875 13.294 -24.648
152 HB2 GLU 20 HB1 GLU 20 7.968 14.080 -21.912
153 HB3 GLU 20 HB2 GLU 20 6.976 15.061 -23.044
154 HG2 GLU 20 HG1 GLU 20 6.096 12.737 -21.260
155 HG3 GLU 20 HG2 GLU 20 5.356 14.367 -21.463
156 H LEU 21 HN LEU 21 10.120 12.628 -23.350
157 HA LEU 21 HA LEU 21 11.234 14.763 -24.951
158 HB2 LEU 21 HB1 LEU 21 11.954 13.383 -22.621
159 HB3 LEU 21 HB2 LEU 21 13.138 12.773 -23.806
160 HG LEU 21 HG LEU 21 12.550 15.735 -23.174
161 HD11 LEU 21 HD11 LEU 21 13.556 14.525 -21.235
162 HD12 LEU 21 HD12 LEU 21 14.722 15.706 -21.947
163 HD13 LEU 21 HD13 LEU 21 14.901 13.944 -22.290
164 HD21 LEU 21 HD21 LEU 21 14.809 14.471 -24.856
165 HD22 LEU 21 HD22 LEU 21 14.718 16.207 -24.371
166 HD23 LEU 21 HD23 LEU 21 13.476 15.509 -25.470
167 H ALA 22 HN ALA 22 10.230 11.587 -25.787
168 HA ALA 22 HA ALA 22 12.096 11.692 -28.103
169 HB1 ALA 22 HB1 ALA 22 11.388 9.185 -26.478
170 HB2 ALA 22 HB2 ALA 22 12.514 9.273 -27.887
171 HB3 ALA 22 HB3 ALA 22 12.933 10.099 -26.343
172 H SER 23 HN SER 23 8.784 11.788 -27.473
173 HA SER 23 HA SER 23 7.989 10.138 -29.656
174 HB2 SER 23 HB1 SER 23 5.913 11.773 -29.746
175 HB3 SER 23 HB2 SER 23 6.137 10.613 -28.422
176 HG SER 23 HG1 SER 23 6.740 13.399 -28.344
177 H THR 24 HN THR 24 9.373 13.366 -29.500
178 HA THR 24 HA THR 24 8.897 14.271 -32.049
179 HB THR 24 HB THR 24 11.563 14.559 -30.577
180 HG1 THR 24 HG1 THR 24 10.546 16.207 -29.448
181 HG21 THR 24 HG21 THR 24 11.398 16.899 -31.501
182 HG22 THR 24 HG22 THR 24 9.802 16.503 -32.242
183 HG23 THR 24 HG23 THR 24 11.300 15.701 -32.838
184 H TYR 25 HN TYR 25 11.125 11.762 -30.940
185 HA TYR 25 HA TYR 25 12.488 11.762 -33.567
186 HB2 TYR 25 HB1 TYR 25 13.470 10.652 -30.862
187 HB3 TYR 25 HB2 TYR 25 14.442 10.840 -32.376
188 HD1 TYR 25 HD1 TYR 25 14.172 13.402 -33.390
189 HD2 TYR 25 HD2 TYR 25 13.891 12.271 -29.249
190 HE1 TYR 25 HE1 TYR 25 14.660 15.725 -32.722
191 HE2 TYR 25 HE2 TYR 25 14.357 14.605 -28.583
192 HH TYR 25 HH TYR 25 14.987 17.146 -31.014
193 H LEU 26 HN LEU 26 10.979 9.545 -31.128
194 HA LEU 26 HA LEU 26 11.380 7.331 -33.031
195 HB2 LEU 26 HB1 LEU 26 10.726 7.519 -30.046
196 HB3 LEU 26 HB2 LEU 26 10.485 5.999 -30.960
197 HG LEU 26 HG LEU 26 12.535 5.913 -29.714
198 HD11 LEU 26 HD11 LEU 26 13.148 6.053 -32.731
199 HD12 LEU 26 HD12 LEU 26 12.343 4.676 -31.890
200 HD13 LEU 26 HD13 LEU 26 14.046 5.116 -31.488
201 HD21 LEU 26 HD21 LEU 26 14.526 7.250 -30.140
202 HD22 LEU 26 HD22 LEU 26 13.164 8.368 -29.734
203 HD23 LEU 26 HD23 LEU 26 13.704 8.165 -31.447
204 H HIS 27 HN HIS 27 8.965 9.607 -32.466
205 HA HIS 27 HA HIS 27 6.993 7.733 -33.621
206 HB2 HIS 27 HB1 HIS 27 6.337 9.765 -31.406
207 HB3 HIS 27 HB2 HIS 27 5.147 8.740 -32.281
208 HD2 HIS 27 HD2 HIS 27 6.570 5.799 -32.001
209 HE1 HIS 27 HE1 HIS 27 6.456 6.681 -27.856
210 HE2 HIS 27 HE2 HIS 27 6.708 4.836 -29.632
Start of MODEL 6
1 H1 GLY 1 HN GLY 1 1.149 0.015 0.336
2 HA2 GLY 1 HA1 GLY 1 0.988 1.877 -1.333
3 HA3 GLY 1 HA2 GLY 1 1.479 2.436 0.319
4 H ILE 2 HN ILE 2 4.021 0.861 -0.296
5 HA ILE 2 HA ILE 2 5.639 3.062 -0.813
6 HB ILE 2 HB ILE 2 6.373 1.153 0.478
7 HG12 ILE 2 HG11 ILE 2 8.224 1.598 -1.940
8 HG13 ILE 2 HG12 ILE 2 7.985 2.781 -0.613
9 HG21 ILE 2 HG21 ILE 2 6.623 -0.395 -2.189
10 HG22 ILE 2 HG22 ILE 2 7.061 -0.974 -0.550
11 HG23 ILE 2 HG23 ILE 2 5.341 -0.678 -0.943
12 HD11 ILE 2 HD1 ILE 2 9.115 -0.084 -0.306
13 HD12 ILE 2 HD2 ILE 2 10.040 1.450 -0.201
14 HD13 ILE 2 HD3 ILE 2 8.809 1.053 1.053
15 H GLY 3 HN GLY 3 4.490 0.636 -3.094
16 HA2 GLY 3 HA1 GLY 3 5.995 1.283 -5.360
17 HA3 GLY 3 HA2 GLY 3 4.322 0.632 -5.336
18 H GLY 4 HN GLY 4 3.274 3.009 -3.934
19 HA2 GLY 4 HA1 GLY 4 2.651 4.564 -6.265
20 HA3 GLY 4 HA2 GLY 4 2.041 4.756 -4.584
21 H LYS 5 HN LYS 5 5.273 4.773 -4.175
22 HA LYS 5 HA LYS 5 5.632 7.511 -5.234
23 HB2 LYS 5 HB1 LYS 5 6.753 8.353 -3.298
24 HB3 LYS 5 HB2 LYS 5 5.109 7.792 -2.915
25 HG2 LYS 5 HG1 LYS 5 6.167 7.043 -1.082
26 HG3 LYS 5 HG2 LYS 5 6.294 5.561 -2.073
27 HD2 LYS 5 HD1 LYS 5 8.640 6.100 -2.653
28 HD3 LYS 5 HD2 LYS 5 8.518 7.721 -1.929
29 HE2 LYS 5 HE1 LYS 5 8.324 5.066 -0.335
30 HE3 LYS 5 HE2 LYS 5 9.820 6.066 -0.511
31 HZ1 LYS 5 HZ1 LYS 5 7.254 6.978 0.698
32 HZ2 LYS 5 HZ2 LYS 5 8.659 7.904 0.530
33 HZ3 LYS 5 HZ3 LYS 5 8.659 6.548 1.543
34 H ILE 6 HN ILE 6 7.244 4.347 -4.534
35 HA ILE 6 HA ILE 6 9.661 5.378 -5.678
36 HB ILE 6 HB ILE 6 10.571 3.201 -5.752
37 HG12 ILE 6 HG11 ILE 6 7.840 2.163 -4.791
38 HG13 ILE 6 HG12 ILE 6 8.550 1.874 -6.417
39 HG21 ILE 6 HG21 ILE 6 10.511 4.625 -3.662
40 HG22 ILE 6 HG22 ILE 6 9.040 3.719 -3.120
41 HG23 ILE 6 HG23 ILE 6 10.613 2.866 -3.316
42 HD11 ILE 6 HD1 ILE 6 8.919 -0.111 -5.022
43 HD12 ILE 6 HD2 ILE 6 10.504 0.682 -5.337
44 HD13 ILE 6 HD3 ILE 6 9.702 0.866 -3.734
45 H LEU 7 HN LEU 7 6.882 3.586 -7.201
46 HA LEU 7 HA LEU 7 8.318 3.467 -9.695
47 HB2 LEU 7 HB1 LEU 7 5.352 3.000 -9.086
48 HB3 LEU 7 HB2 LEU 7 6.170 2.606 -10.627
49 HG LEU 7 HG LEU 7 6.796 1.346 -7.890
50 HD11 LEU 7 HD11 LEU 7 5.699 -0.687 -8.818
51 HD12 LEU 7 HD12 LEU 7 5.295 0.209 -10.331
52 HD13 LEU 7 HD13 LEU 7 4.560 0.709 -8.765
53 HD21 LEU 7 HD21 LEU 7 8.828 1.326 -9.332
54 HD22 LEU 7 HD22 LEU 7 7.859 0.650 -10.705
55 HD23 LEU 7 HD23 LEU 7 8.126 -0.325 -9.211
56 H SER 8 HN SER 8 6.165 5.728 -8.131
57 HA SER 8 HA SER 8 5.383 7.208 -10.353
58 HB2 SER 8 HB1 SER 8 5.724 8.174 -7.460
59 HB3 SER 8 HB2 SER 8 4.660 8.902 -8.726
60 HG SER 8 HG1 SER 8 3.655 7.344 -7.196
61 H GLY 9 HN GLY 9 8.469 7.128 -8.747
62 HA2 GLY 9 HA1 GLY 9 9.305 9.421 -10.467
63 HA3 GLY 9 HA2 GLY 9 10.263 8.650 -9.161
64 H LEU 10 HN LEU 10 10.149 5.974 -9.717
65 HA LEU 10 HA LEU 10 12.142 5.870 -11.641
66 HB2 LEU 10 HB1 LEU 10 11.896 4.486 -9.600
67 HB3 LEU 10 HB2 LEU 10 10.533 3.603 -10.324
68 HG LEU 10 HG LEU 10 12.814 2.476 -10.201
69 HD11 LEU 10 HD11 LEU 10 10.983 1.608 -11.641
70 HD12 LEU 10 HD12 LEU 10 12.642 1.254 -12.283
71 HD13 LEU 10 HD13 LEU 10 11.652 2.558 -13.041
72 HD21 LEU 10 HD21 LEU 10 14.232 4.405 -10.928
73 HD22 LEU 10 HD22 LEU 10 13.574 4.255 -12.600
74 HD23 LEU 10 HD23 LEU 10 14.540 2.916 -11.888
75 H LYS 11 HN LYS 11 8.697 4.792 -12.048
76 HA LYS 11 HA LYS 11 9.392 3.937 -14.783
77 HB2 LYS 11 HB1 LYS 11 6.971 3.530 -12.979
78 HB3 LYS 11 HB2 LYS 11 6.872 3.217 -14.735
79 HG2 LYS 11 HG1 LYS 11 8.975 1.879 -12.942
80 HG3 LYS 11 HG2 LYS 11 7.349 1.186 -13.263
81 HD2 LYS 11 HD1 LYS 11 7.736 1.195 -15.694
82 HD3 LYS 11 HD2 LYS 11 9.364 1.887 -15.507
83 HE2 LYS 11 HE1 LYS 11 8.486 -0.864 -14.362
84 HE3 LYS 11 HE2 LYS 11 9.293 -0.630 -15.963
85 HZ1 LYS 11 HZ1 LYS 11 10.428 0.189 -13.336
86 HZ2 LYS 11 HZ2 LYS 11 11.173 0.343 -14.848
87 HZ3 LYS 11 HZ3 LYS 11 10.858 -1.198 -14.218
88 H THR 12 HN THR 12 7.824 6.605 -13.068
89 HA THR 12 HA THR 12 6.690 7.818 -15.331
90 HB THR 12 HB THR 12 8.015 9.190 -12.949
91 HG1 THR 12 HG1 THR 12 6.105 9.011 -12.035
92 HG21 THR 12 HG21 THR 12 7.473 10.777 -14.864
93 HG22 THR 12 HG22 THR 12 6.337 11.006 -13.493
94 HG23 THR 12 HG23 THR 12 5.807 10.087 -14.944
95 H ALA 13 HN ALA 13 10.070 8.113 -13.978
96 HA ALA 13 HA ALA 13 11.003 9.719 -16.079
97 HB1 ALA 13 HB1 ALA 13 12.160 9.439 -13.888
98 HB2 ALA 13 HB2 ALA 13 12.477 7.711 -14.267
99 HB3 ALA 13 HB3 ALA 13 13.259 9.012 -15.247
100 H LEU 14 HN LEU 14 11.124 6.138 -15.682
101 HA LEU 14 HA LEU 14 12.588 5.727 -18.039
102 HB2 LEU 14 HB1 LEU 14 12.437 4.236 -15.986
103 HB3 LEU 14 HB2 LEU 14 10.795 3.758 -16.515
104 HG LEU 14 HG LEU 14 11.847 2.818 -18.651
105 HD11 LEU 14 HD11 LEU 14 14.322 2.391 -18.652
106 HD12 LEU 14 HD12 LEU 14 14.498 3.419 -17.182
107 HD13 LEU 14 HD13 LEU 14 13.944 4.142 -18.738
108 HD21 LEU 14 HD21 LEU 14 12.902 1.699 -15.982
109 HD22 LEU 14 HD22 LEU 14 12.820 0.804 -17.546
110 HD23 LEU 14 HD23 LEU 14 11.288 1.344 -16.755
111 H LYS 15 HN LYS 15 9.076 5.982 -17.628
112 HA LYS 15 HA LYS 15 8.858 5.364 -20.503
113 HB2 LYS 15 HB1 LYS 15 7.741 3.617 -19.143
114 HB3 LYS 15 HB2 LYS 15 6.673 4.865 -18.446
115 HG2 LYS 15 HG1 LYS 15 5.528 3.647 -20.209
116 HG3 LYS 15 HG2 LYS 15 5.714 5.334 -20.741
117 HD2 LYS 15 HD1 LYS 15 7.777 3.228 -21.605
118 HD3 LYS 15 HD2 LYS 15 6.141 3.218 -22.338
119 HE2 LYS 15 HE1 LYS 15 6.420 5.580 -23.133
120 HE3 LYS 15 HE2 LYS 15 8.100 5.613 -22.471
121 HZ1 LYS 15 HZ1 LYS 15 8.666 3.783 -23.928
122 HZ2 LYS 15 HZ2 LYS 15 8.098 5.117 -24.795
123 HZ3 LYS 15 HZ3 LYS 15 7.100 3.765 -24.583
124 H GLY 16 HN GLY 16 6.843 7.187 -18.080
125 HA2 GLY 16 HA1 GLY 16 5.587 8.754 -19.982
126 HA3 GLY 16 HA2 GLY 16 5.894 9.224 -18.276
127 H ALA 17 HN ALA 17 8.391 9.939 -18.038
128 HA ALA 17 HA ALA 17 8.614 12.350 -19.471
129 HB1 ALA 17 HB1 ALA 17 9.555 11.942 -17.159
130 HB2 ALA 17 HB2 ALA 17 10.775 10.829 -17.890
131 HB3 ALA 17 HB3 ALA 17 10.795 12.585 -18.298
132 H ALA 18 HN ALA 18 10.283 9.215 -19.902
133 HA ALA 18 HA ALA 18 11.947 9.955 -22.006
134 HB1 ALA 18 HB1 ALA 18 10.630 7.239 -21.389
135 HB2 ALA 18 HB2 ALA 18 12.085 7.496 -22.433
136 HB3 ALA 18 HB3 ALA 18 12.160 7.852 -20.671
137 H LYS 19 HN LYS 19 8.502 8.892 -22.145
138 HA LYS 19 HA LYS 19 8.378 8.784 -24.974
139 HB2 LYS 19 HB1 LYS 19 6.645 8.038 -23.028
140 HB3 LYS 19 HB2 LYS 19 5.940 9.623 -23.336
141 HG2 LYS 19 HG1 LYS 19 6.289 7.251 -25.264
142 HG3 LYS 19 HG2 LYS 19 4.753 7.867 -24.585
143 HD2 LYS 19 HD1 LYS 19 6.472 9.343 -26.710
144 HD3 LYS 19 HD2 LYS 19 5.147 8.217 -27.029
145 HE2 LYS 19 HE1 LYS 19 4.135 10.261 -27.361
146 HE3 LYS 19 HE2 LYS 19 3.545 9.787 -25.720
147 HZ1 LYS 19 HZ1 LYS 19 4.886 11.392 -24.751
148 HZ2 LYS 19 HZ2 LYS 19 4.408 12.182 -26.094
149 HZ3 LYS 19 HZ3 LYS 19 5.945 11.505 -26.064
150 H GLU 20 HN GLU 20 7.642 11.495 -22.655
151 HA GLU 20 HA GLU 20 6.964 13.246 -24.761
152 HB2 GLU 20 HB1 GLU 20 7.871 14.065 -21.969
153 HB3 GLU 20 HB2 GLU 20 6.925 15.015 -23.167
154 HG2 GLU 20 HG1 GLU 20 6.001 12.669 -21.430
155 HG3 GLU 20 HG2 GLU 20 5.236 14.282 -21.672
156 H LEU 21 HN LEU 21 10.088 12.803 -23.063
157 HA LEU 21 HA LEU 21 11.481 14.803 -24.436
158 HB2 LEU 21 HB1 LEU 21 12.128 13.643 -22.327
159 HB3 LEU 21 HB2 LEU 21 12.487 12.149 -23.230
160 HG LEU 21 HG LEU 21 13.904 14.771 -23.945
161 HD11 LEU 21 HD11 LEU 21 15.657 14.285 -22.236
162 HD12 LEU 21 HD12 LEU 21 14.675 12.906 -21.611
163 HD13 LEU 21 HD13 LEU 21 14.056 14.596 -21.465
164 HD21 LEU 21 HD21 LEU 21 14.814 11.813 -23.974
165 HD22 LEU 21 HD22 LEU 21 15.839 13.225 -24.426
166 HD23 LEU 21 HD23 LEU 21 14.403 12.814 -25.419
167 H ALA 22 HN ALA 22 11.048 11.328 -25.313
168 HA ALA 22 HA ALA 22 12.615 11.774 -27.735
169 HB1 ALA 22 HB1 ALA 22 13.055 9.799 -26.253
170 HB2 ALA 22 HB2 ALA 22 11.376 9.223 -26.559
171 HB3 ALA 22 HB3 ALA 22 12.564 9.312 -27.916
172 H SER 23 HN SER 23 9.616 12.694 -27.213
173 HA SER 23 HA SER 23 7.925 11.014 -28.565
174 HB2 SER 23 HB1 SER 23 7.379 13.100 -27.065
175 HB3 SER 23 HB2 SER 23 7.389 14.037 -28.578
176 HG SER 23 HG1 SER 23 5.745 12.666 -29.342
177 H THR 24 HN THR 24 9.692 13.791 -30.017
178 HA THR 24 HA THR 24 8.455 13.570 -32.535
179 HB THR 24 HB THR 24 11.249 14.706 -32.073
180 HG1 THR 24 HG1 THR 24 10.220 16.562 -31.364
181 HG21 THR 24 HG21 THR 24 10.378 16.462 -33.666
182 HG22 THR 24 HG22 THR 24 8.774 15.640 -33.703
183 HG23 THR 24 HG23 THR 24 10.223 14.831 -34.403
184 H TYR 25 HN TYR 25 10.892 11.644 -31.050
185 HA TYR 25 HA TYR 25 12.229 11.056 -33.622
186 HB2 TYR 25 HB1 TYR 25 13.256 10.714 -30.731
187 HB3 TYR 25 HB2 TYR 25 14.226 10.539 -32.248
188 HD1 TYR 25 HD1 TYR 25 14.119 12.651 -33.865
189 HD2 TYR 25 HD2 TYR 25 13.278 12.789 -29.651
190 HE1 TYR 25 HE1 TYR 25 14.513 15.089 -33.867
191 HE2 TYR 25 HE2 TYR 25 13.668 15.234 -29.656
192 HH TYR 25 HH TYR 25 14.612 16.967 -32.630
193 H LEU 26 HN LEU 26 10.855 9.472 -30.720
194 HA LEU 26 HA LEU 26 11.371 6.837 -31.966
195 HB2 LEU 26 HB1 LEU 26 11.159 7.873 -29.111
196 HB3 LEU 26 HB2 LEU 26 10.772 6.157 -29.434
197 HG LEU 26 HG LEU 26 13.041 6.425 -28.615
198 HD11 LEU 26 HD11 LEU 26 12.411 4.495 -30.092
199 HD12 LEU 26 HD12 LEU 26 14.155 4.941 -30.238
200 HD13 LEU 26 HD13 LEU 26 12.998 5.416 -31.527
201 HD21 LEU 26 HD21 LEU 26 13.649 8.650 -29.656
202 HD22 LEU 26 HD22 LEU 26 13.774 7.823 -31.256
203 HD23 LEU 26 HD23 LEU 26 14.885 7.361 -29.923
204 H HIS 27 HN HIS 27 8.959 8.852 -32.321
205 HA HIS 27 HA HIS 27 6.789 7.045 -31.519
206 HB2 HIS 27 HB1 HIS 27 6.445 9.478 -31.214
207 HB3 HIS 27 HB2 HIS 27 6.664 9.731 -32.979
208 HD2 HIS 27 HD2 HIS 27 4.275 9.570 -34.365
209 HE1 HIS 27 HE1 HIS 27 2.122 7.416 -31.410
210 HE2 HIS 27 HE2 HIS 27 1.997 8.549 -33.700
Start of MODEL 7
1 H1 GLY 1 HN GLY 1 1.027 0.200 0.488
2 HA2 GLY 1 HA1 GLY 1 0.910 2.018 -1.243
3 HA3 GLY 1 HA2 GLY 1 1.457 2.590 0.386
4 H ILE 2 HN ILE 2 3.929 0.962 -0.125
5 HA ILE 2 HA ILE 2 5.608 3.078 -0.728
6 HB ILE 2 HB ILE 2 6.268 1.217 0.657
7 HG12 ILE 2 HG11 ILE 2 8.164 1.486 -1.754
8 HG13 ILE 2 HG12 ILE 2 7.954 2.724 -0.472
9 HG21 ILE 2 HG21 ILE 2 6.889 -0.983 -0.243
10 HG22 ILE 2 HG22 ILE 2 5.189 -0.649 -0.687
11 HG23 ILE 2 HG23 ILE 2 6.504 -0.479 -1.919
12 HD11 ILE 2 HD1 ILE 2 8.976 -0.165 -0.045
13 HD12 ILE 2 HD2 ILE 2 9.950 1.343 0.021
14 HD13 ILE 2 HD3 ILE 2 8.687 1.034 1.266
15 H GLY 3 HN GLY 3 4.485 0.550 -2.910
16 HA2 GLY 3 HA1 GLY 3 5.902 0.963 -5.220
17 HA3 GLY 3 HA2 GLY 3 4.148 0.583 -5.139
18 H GLY 4 HN GLY 4 3.179 2.978 -4.064
19 HA2 GLY 4 HA1 GLY 4 3.060 4.517 -6.495
20 HA3 GLY 4 HA2 GLY 4 2.173 4.782 -4.957
21 H LYS 5 HN LYS 5 5.222 4.699 -3.864
22 HA LYS 5 HA LYS 5 5.836 7.457 -4.779
23 HB2 LYS 5 HB1 LYS 5 6.646 8.126 -2.652
24 HB3 LYS 5 HB2 LYS 5 5.001 7.494 -2.511
25 HG2 LYS 5 HG1 LYS 5 6.112 6.738 -0.575
26 HG3 LYS 5 HG2 LYS 5 5.806 5.333 -1.615
27 HD2 LYS 5 HD1 LYS 5 7.910 5.061 -0.536
28 HD3 LYS 5 HD2 LYS 5 8.246 5.262 -2.261
29 HE2 LYS 5 HE1 LYS 5 8.609 7.427 -0.049
30 HE3 LYS 5 HE2 LYS 5 9.907 6.384 -0.744
31 HZ1 LYS 5 HZ1 LYS 5 8.448 8.613 -1.987
32 HZ2 LYS 5 HZ2 LYS 5 9.085 7.415 -2.971
33 HZ3 LYS 5 HZ3 LYS 5 10.115 8.300 -1.950
34 H ILE 6 HN ILE 6 7.028 4.225 -4.830
35 HA ILE 6 HA ILE 6 9.649 5.311 -5.594
36 HB ILE 6 HB ILE 6 10.443 3.092 -5.987
37 HG12 ILE 6 HG11 ILE 6 7.728 2.140 -4.891
38 HG13 ILE 6 HG12 ILE 6 8.320 1.904 -6.572
39 HG21 ILE 6 HG21 ILE 6 9.156 3.448 -3.205
40 HG22 ILE 6 HG22 ILE 6 10.670 2.564 -3.601
41 HG23 ILE 6 HG23 ILE 6 10.618 4.349 -3.783
42 HD11 ILE 6 HD1 ILE 6 10.265 0.547 -5.672
43 HD12 ILE 6 HD2 ILE 6 9.549 0.672 -4.023
44 HD13 ILE 6 HD3 ILE 6 8.653 -0.175 -5.327
45 H LEU 7 HN LEU 7 6.914 3.564 -7.240
46 HA LEU 7 HA LEU 7 8.259 3.481 -9.696
47 HB2 LEU 7 HB1 LEU 7 5.272 3.241 -9.061
48 HB3 LEU 7 HB2 LEU 7 6.006 2.838 -10.643
49 HG LEU 7 HG LEU 7 6.644 1.442 -7.979
50 HD11 LEU 7 HD11 LEU 7 4.332 0.998 -8.778
51 HD12 LEU 7 HD12 LEU 7 5.368 -0.469 -8.932
52 HD13 LEU 7 HD13 LEU 7 4.969 0.509 -10.392
53 HD21 LEU 7 HD21 LEU 7 8.611 1.324 -9.506
54 HD22 LEU 7 HD22 LEU 7 7.539 0.785 -10.862
55 HD23 LEU 7 HD23 LEU 7 7.785 -0.270 -9.424
56 H SER 8 HN SER 8 6.031 5.845 -8.353
57 HA SER 8 HA SER 8 5.446 7.310 -10.570
58 HB2 SER 8 HB1 SER 8 5.783 8.343 -7.701
59 HB3 SER 8 HB2 SER 8 4.742 9.058 -8.995
60 HG SER 8 HG1 SER 8 3.794 7.459 -7.371
61 H GLY 9 HN GLY 9 8.531 7.215 -8.961
62 HA2 GLY 9 HA1 GLY 9 9.425 9.323 -10.880
63 HA3 GLY 9 HA2 GLY 9 10.349 8.757 -9.450
64 H LEU 10 HN LEU 10 10.173 6.053 -9.610
65 HA LEU 10 HA LEU 10 12.331 5.593 -11.234
66 HB2 LEU 10 HB1 LEU 10 11.756 4.619 -9.029
67 HB3 LEU 10 HB2 LEU 10 10.491 3.613 -9.768
68 HG LEU 10 HG LEU 10 12.745 2.589 -9.073
69 HD11 LEU 10 HD11 LEU 10 11.760 1.982 -11.911
70 HD12 LEU 10 HD12 LEU 10 11.081 1.336 -10.367
71 HD13 LEU 10 HD13 LEU 10 12.759 0.906 -10.854
72 HD21 LEU 10 HD21 LEU 10 13.784 3.756 -11.729
73 HD22 LEU 10 HD22 LEU 10 14.632 2.606 -10.633
74 HD23 LEU 10 HD23 LEU 10 14.272 4.275 -10.074
75 H LYS 11 HN LYS 11 8.922 4.855 -12.038
76 HA LYS 11 HA LYS 11 9.933 3.897 -14.661
77 HB2 LYS 11 HB1 LYS 11 7.493 3.013 -13.076
78 HB3 LYS 11 HB2 LYS 11 7.649 2.710 -14.836
79 HG2 LYS 11 HG1 LYS 11 9.742 1.793 -12.776
80 HG3 LYS 11 HG2 LYS 11 8.374 0.784 -13.313
81 HD2 LYS 11 HD1 LYS 11 9.301 0.228 -15.267
82 HD3 LYS 11 HD2 LYS 11 9.823 1.873 -15.674
83 HE2 LYS 11 HE1 LYS 11 11.363 0.131 -13.626
84 HE3 LYS 11 HE2 LYS 11 11.648 -0.003 -15.404
85 HZ1 LYS 11 HZ1 LYS 11 11.870 2.592 -13.937
86 HZ2 LYS 11 HZ2 LYS 11 12.334 2.233 -15.508
87 HZ3 LYS 11 HZ3 LYS 11 13.157 1.541 -14.206
88 H THR 12 HN THR 12 7.962 6.380 -13.087
89 HA THR 12 HA THR 12 6.739 7.309 -15.421
90 HB THR 12 HB THR 12 7.928 9.009 -13.186
91 HG1 THR 12 HG1 THR 12 5.985 8.799 -12.305
92 HG21 THR 12 HG21 THR 12 7.241 10.374 -15.221
93 HG22 THR 12 HG22 THR 12 6.087 10.605 -13.872
94 HG23 THR 12 HG23 THR 12 5.649 9.523 -15.238
95 H ALA 13 HN ALA 13 10.070 7.918 -14.162
96 HA ALA 13 HA ALA 13 10.839 9.673 -16.175
97 HB1 ALA 13 HB1 ALA 13 13.141 9.202 -15.336
98 HB2 ALA 13 HB2 ALA 13 11.982 9.428 -13.981
99 HB3 ALA 13 HB3 ALA 13 12.512 7.769 -14.433
100 H LEU 14 HN LEU 14 10.420 6.227 -16.382
101 HA LEU 14 HA LEU 14 12.238 6.099 -18.729
102 HB2 LEU 14 HB1 LEU 14 12.663 4.678 -16.600
103 HB3 LEU 14 HB2 LEU 14 11.186 3.758 -17.057
104 HG LEU 14 HG LEU 14 12.343 3.254 -19.304
105 HD11 LEU 14 HD11 LEU 14 14.808 4.462 -17.884
106 HD12 LEU 14 HD12 LEU 14 14.007 5.097 -19.369
107 HD13 LEU 14 HD13 LEU 14 14.834 3.509 -19.413
108 HD21 LEU 14 HD21 LEU 14 12.321 1.559 -17.482
109 HD22 LEU 14 HD22 LEU 14 13.877 2.269 -16.823
110 HD23 LEU 14 HD23 LEU 14 13.834 1.507 -18.446
111 H LYS 15 HN LYS 15 8.913 6.174 -17.922
112 HA LYS 15 HA LYS 15 8.342 5.148 -20.635
113 HB2 LYS 15 HB1 LYS 15 7.345 3.613 -18.973
114 HB3 LYS 15 HB2 LYS 15 6.489 4.975 -18.203
115 HG2 LYS 15 HG1 LYS 15 4.953 3.693 -19.636
116 HG3 LYS 15 HG2 LYS 15 5.161 5.347 -20.293
117 HD2 LYS 15 HD1 LYS 15 6.872 4.436 -21.946
118 HD3 LYS 15 HD2 LYS 15 6.523 2.784 -21.377
119 HE2 LYS 15 HE1 LYS 15 4.513 4.766 -22.693
120 HE3 LYS 15 HE2 LYS 15 5.373 3.427 -23.548
121 HZ1 LYS 15 HZ1 LYS 15 3.473 3.108 -21.278
122 HZ2 LYS 15 HZ2 LYS 15 4.283 1.855 -22.087
123 HZ3 LYS 15 HZ3 LYS 15 3.145 2.800 -22.914
124 H GLY 16 HN GLY 16 6.672 7.241 -18.206
125 HA2 GLY 16 HA1 GLY 16 5.338 8.760 -20.158
126 HA3 GLY 16 HA2 GLY 16 5.654 9.228 -18.448
127 H ALA 17 HN ALA 17 8.113 9.867 -18.134
128 HA ALA 17 HA ALA 17 8.466 12.245 -19.544
129 HB1 ALA 17 HB1 ALA 17 10.570 10.703 -17.928
130 HB2 ALA 17 HB2 ALA 17 10.552 12.469 -18.297
131 HB3 ALA 17 HB3 ALA 17 9.297 11.784 -17.212
132 H ALA 18 HN ALA 18 9.932 9.029 -20.032
133 HA ALA 18 HA ALA 18 11.854 9.788 -21.921
134 HB1 ALA 18 HB1 ALA 18 10.325 7.129 -21.617
135 HB2 ALA 18 HB2 ALA 18 11.875 7.355 -22.516
136 HB3 ALA 18 HB3 ALA 18 11.828 7.594 -20.734
137 H LYS 19 HN LYS 19 8.397 8.779 -22.518
138 HA LYS 19 HA LYS 19 8.837 9.254 -25.360
139 HB2 LYS 19 HB1 LYS 19 7.121 7.590 -23.990
140 HB3 LYS 19 HB2 LYS 19 6.012 8.900 -24.456
141 HG2 LYS 19 HG1 LYS 19 7.833 7.185 -26.277
142 HG3 LYS 19 HG2 LYS 19 6.061 7.019 -26.123
143 HD2 LYS 19 HD1 LYS 19 7.570 9.412 -27.353
144 HD3 LYS 19 HD2 LYS 19 6.798 8.084 -28.261
145 HE2 LYS 19 HE1 LYS 19 4.543 8.752 -27.464
146 HE3 LYS 19 HE2 LYS 19 5.252 10.083 -26.466
147 HZ1 LYS 19 HZ1 LYS 19 5.558 9.866 -29.427
148 HZ2 LYS 19 HZ2 LYS 19 5.975 11.186 -28.448
149 HZ3 LYS 19 HZ3 LYS 19 4.376 10.774 -28.663
150 H GLU 20 HN GLU 20 7.767 11.188 -22.615
151 HA GLU 20 HA GLU 20 6.530 13.259 -24.108
152 HB2 GLU 20 HB1 GLU 20 6.259 12.797 -21.684
153 HB3 GLU 20 HB2 GLU 20 7.999 13.091 -21.424
154 HG2 GLU 20 HG1 GLU 20 7.699 15.527 -21.917
155 HG3 GLU 20 HG2 GLU 20 5.935 15.247 -22.239
156 H LEU 21 HN LEU 21 9.883 12.917 -22.787
157 HA LEU 21 HA LEU 21 10.895 15.206 -24.055
158 HB2 LEU 21 HB1 LEU 21 11.759 14.066 -22.018
159 HB3 LEU 21 HB2 LEU 21 12.347 12.702 -22.996
160 HG LEU 21 HG LEU 21 13.283 15.576 -23.544
161 HD11 LEU 21 HD11 LEU 21 14.431 13.666 -21.412
162 HD12 LEU 21 HD12 LEU 21 13.545 15.206 -21.098
163 HD13 LEU 21 HD13 LEU 21 15.151 15.242 -21.920
164 HD21 LEU 21 HD21 LEU 21 14.659 12.823 -23.874
165 HD22 LEU 21 HD22 LEU 21 15.436 14.417 -24.195
166 HD23 LEU 21 HD23 LEU 21 14.057 13.880 -25.208
167 H ALA 22 HN ALA 22 11.072 11.733 -25.060
168 HA ALA 22 HA ALA 22 12.464 12.566 -27.484
169 HB1 ALA 22 HB1 ALA 22 11.797 9.751 -26.467
170 HB2 ALA 22 HB2 ALA 22 12.953 10.193 -27.785
171 HB3 ALA 22 HB3 ALA 22 13.307 10.652 -26.080
172 H SER 23 HN SER 23 9.628 13.267 -27.121
173 HA SER 23 HA SER 23 7.880 11.418 -28.065
174 HB2 SER 23 HB1 SER 23 7.326 13.608 -26.890
175 HB3 SER 23 HB2 SER 23 7.515 14.451 -28.459
176 HG SER 23 HG1 SER 23 5.374 13.923 -28.079
177 H THR 24 HN THR 24 9.351 13.972 -30.140
178 HA THR 24 HA THR 24 8.113 13.227 -32.506
179 HB THR 24 HB THR 24 10.934 14.393 -32.293
180 HG1 THR 24 HG1 THR 24 9.814 16.376 -32.181
181 HG21 THR 24 HG21 THR 24 10.153 15.662 -34.330
182 HG22 THR 24 HG22 THR 24 8.542 14.863 -34.219
183 HG23 THR 24 HG23 THR 24 10.005 13.893 -34.618
184 H TYR 25 HN TYR 25 11.201 12.126 -31.073
185 HA TYR 25 HA TYR 25 12.065 10.712 -33.366
186 HB2 TYR 25 HB1 TYR 25 12.940 10.376 -30.425
187 HB3 TYR 25 HB2 TYR 25 13.881 9.879 -31.886
188 HD1 TYR 25 HD1 TYR 25 14.270 11.829 -33.663
189 HD2 TYR 25 HD2 TYR 25 13.398 12.462 -29.504
190 HE1 TYR 25 HE1 TYR 25 15.197 14.116 -33.818
191 HE2 TYR 25 HE2 TYR 25 14.318 14.762 -29.665
192 HH TYR 25 HH TYR 25 15.682 16.020 -32.708
193 H LEU 26 HN LEU 26 10.362 9.672 -30.417
194 HA LEU 26 HA LEU 26 10.374 6.888 -31.347
195 HB2 LEU 26 HB1 LEU 26 9.874 8.334 -28.726
196 HB3 LEU 26 HB2 LEU 26 9.136 6.719 -28.958
197 HG LEU 26 HG LEU 26 11.282 5.660 -29.325
198 HD11 LEU 26 HD11 LEU 26 12.548 8.434 -28.896
199 HD12 LEU 26 HD12 LEU 26 12.661 7.401 -30.371
200 HD13 LEU 26 HD13 LEU 26 13.449 6.870 -28.846
201 HD21 LEU 26 HD21 LEU 26 10.369 5.873 -27.011
202 HD22 LEU 26 HD22 LEU 26 11.257 7.432 -26.798
203 HD23 LEU 26 HD23 LEU 26 12.174 5.895 -27.008
204 H HIS 27 HN HIS 27 8.515 9.379 -32.216
205 HA HIS 27 HA HIS 27 6.422 9.697 -32.863
206 HB2 HIS 27 HB1 HIS 27 6.933 6.820 -33.772
207 HB3 HIS 27 HB2 HIS 27 5.606 7.863 -34.427
208 HD2 HIS 27 HD2 HIS 27 9.466 7.391 -34.906
209 HE1 HIS 27 HE1 HIS 27 8.269 11.026 -36.737
210 HE2 HIS 27 HE2 HIS 27 10.188 9.373 -36.391
Start of MODEL 8
1 H1 GLY 1 HN GLY 1 1.205 0.161 0.438
2 HA2 GLY 1 HA1 GLY 1 1.123 2.087 -1.180
3 HA3 GLY 1 HA2 GLY 1 1.765 2.523 0.457
4 H ILE 2 HN ILE 2 4.128 0.817 -0.227
5 HA ILE 2 HA ILE 2 5.886 2.875 -0.813
6 HB ILE 2 HB ILE 2 6.480 0.925 0.489
7 HG12 ILE 2 HG11 ILE 2 8.340 1.225 -1.945
8 HG13 ILE 2 HG12 ILE 2 8.208 2.409 -0.605
9 HG21 ILE 2 HG21 ILE 2 5.292 -0.828 -0.915
10 HG22 ILE 2 HG22 ILE 2 6.585 -0.656 -2.169
11 HG23 ILE 2 HG23 ILE 2 6.986 -1.257 -0.528
12 HD11 ILE 2 HD1 ILE 2 8.898 0.609 1.039
13 HD12 ILE 2 HD2 ILE 2 9.110 -0.539 -0.331
14 HD13 ILE 2 HD3 ILE 2 10.149 0.922 -0.216
15 H GLY 3 HN GLY 3 4.495 0.540 -3.072
16 HA2 GLY 3 HA1 GLY 3 6.062 1.112 -5.334
17 HA3 GLY 3 HA2 GLY 3 4.355 0.551 -5.327
18 H GLY 4 HN GLY 4 3.380 2.973 -3.940
19 HA2 GLY 4 HA1 GLY 4 3.088 4.685 -6.260
20 HA3 GLY 4 HA2 GLY 4 2.320 4.839 -4.642
21 H LYS 5 HN LYS 5 5.405 4.491 -3.821
22 HA LYS 5 HA LYS 5 6.078 7.347 -4.133
23 HB2 LYS 5 HB1 LYS 5 6.069 6.267 -1.823
24 HB3 LYS 5 HB2 LYS 5 7.377 5.188 -2.369
25 HG2 LYS 5 HG1 LYS 5 8.338 6.966 -1.065
26 HG3 LYS 5 HG2 LYS 5 8.845 7.233 -2.764
27 HD2 LYS 5 HD1 LYS 5 7.150 8.992 -3.067
28 HD3 LYS 5 HD2 LYS 5 6.428 8.672 -1.470
29 HE2 LYS 5 HE1 LYS 5 9.307 9.740 -1.939
30 HE3 LYS 5 HE2 LYS 5 7.867 10.767 -1.567
31 HZ1 LYS 5 HZ1 LYS 5 7.607 9.571 0.509
32 HZ2 LYS 5 HZ2 LYS 5 9.143 10.278 0.409
33 HZ3 LYS 5 HZ3 LYS 5 8.960 8.609 0.173
34 H ILE 6 HN ILE 6 7.632 4.068 -4.431
35 HA ILE 6 HA ILE 6 9.843 5.189 -5.787
36 HB ILE 6 HB ILE 6 10.714 2.979 -6.081
37 HG12 ILE 6 HG11 ILE 6 8.037 1.972 -4.931
38 HG13 ILE 6 HG12 ILE 6 8.611 1.727 -6.616
39 HG21 ILE 6 HG21 ILE 6 9.453 3.387 -3.286
40 HG22 ILE 6 HG22 ILE 6 10.981 2.527 -3.680
41 HG23 ILE 6 HG23 ILE 6 10.877 4.302 -3.921
42 HD11 ILE 6 HD1 ILE 6 9.023 -0.322 -5.328
43 HD12 ILE 6 HD2 ILE 6 10.607 0.438 -5.724
44 HD13 ILE 6 HD3 ILE 6 9.921 0.582 -4.064
45 H LEU 7 HN LEU 7 6.943 3.507 -7.208
46 HA LEU 7 HA LEU 7 8.239 3.469 -9.778
47 HB2 LEU 7 HB1 LEU 7 5.305 2.999 -9.049
48 HB3 LEU 7 HB2 LEU 7 6.042 2.675 -10.644
49 HG LEU 7 HG LEU 7 6.775 1.280 -8.002
50 HD11 LEU 7 HD11 LEU 7 4.514 0.686 -8.824
51 HD12 LEU 7 HD12 LEU 7 5.644 -0.705 -8.992
52 HD13 LEU 7 HD13 LEU 7 5.183 0.268 -10.442
53 HD21 LEU 7 HD21 LEU 7 8.760 1.324 -9.490
54 HD22 LEU 7 HD22 LEU 7 7.756 0.744 -10.880
55 HD23 LEU 7 HD23 LEU 7 8.054 -0.327 -9.452
56 H SER 8 HN SER 8 6.298 5.748 -8.015
57 HA SER 8 HA SER 8 5.438 7.328 -10.171
58 HB2 SER 8 HB1 SER 8 5.959 8.101 -7.246
59 HB3 SER 8 HB2 SER 8 4.973 9.046 -8.431
60 HG SER 8 HG1 SER 8 3.930 7.397 -6.924
61 H GLY 9 HN GLY 9 8.585 6.990 -8.744
62 HA2 GLY 9 HA1 GLY 9 9.491 9.304 -10.395
63 HA3 GLY 9 HA2 GLY 9 10.457 8.401 -9.181
64 H LEU 10 HN LEU 10 10.104 5.765 -9.881
65 HA LEU 10 HA LEU 10 11.978 5.626 -11.936
66 HB2 LEU 10 HB1 LEU 10 11.769 4.126 -9.987
67 HB3 LEU 10 HB2 LEU 10 10.260 3.434 -10.628
68 HG LEU 10 HG LEU 10 12.393 2.065 -10.788
69 HD11 LEU 10 HD11 LEU 10 11.908 1.007 -12.905
70 HD12 LEU 10 HD12 LEU 10 11.045 2.458 -13.519
71 HD13 LEU 10 HD13 LEU 10 10.352 1.518 -12.129
72 HD21 LEU 10 HD21 LEU 10 14.013 2.436 -12.592
73 HD22 LEU 10 HD22 LEU 10 13.960 3.874 -11.513
74 HD23 LEU 10 HD23 LEU 10 13.153 3.921 -13.126
75 H LYS 11 HN LYS 11 8.456 4.735 -12.157
76 HA LYS 11 HA LYS 11 8.816 3.928 -14.921
77 HB2 LYS 11 HB1 LYS 11 6.366 4.195 -13.111
78 HB3 LYS 11 HB2 LYS 11 6.216 3.852 -14.854
79 HG2 LYS 11 HG1 LYS 11 7.814 2.073 -12.919
80 HG3 LYS 11 HG2 LYS 11 6.091 1.828 -13.374
81 HD2 LYS 11 HD1 LYS 11 6.767 1.792 -15.814
82 HD3 LYS 11 HD2 LYS 11 8.484 1.784 -15.338
83 HE2 LYS 11 HE1 LYS 11 6.381 -0.382 -14.592
84 HE3 LYS 11 HE2 LYS 11 7.572 -0.502 -15.947
85 HZ1 LYS 11 HZ1 LYS 11 8.231 -0.223 -13.058
86 HZ2 LYS 11 HZ2 LYS 11 9.352 -0.317 -14.330
87 HZ3 LYS 11 HZ3 LYS 11 8.347 -1.639 -13.988
88 H THR 12 HN THR 12 7.570 6.772 -13.159
89 HA THR 12 HA THR 12 6.678 8.238 -15.307
90 HB THR 12 HB THR 12 8.119 9.339 -12.850
91 HG1 THR 12 HG1 THR 12 6.242 9.155 -11.870
92 HG21 THR 12 HG21 THR 12 7.554 11.079 -14.624
93 HG22 THR 12 HG22 THR 12 6.490 11.245 -13.186
94 HG23 THR 12 HG23 THR 12 5.860 10.453 -14.672
95 H ALA 13 HN ALA 13 10.094 8.152 -13.982
96 HA ALA 13 HA ALA 13 11.104 9.853 -15.988
97 HB1 ALA 13 HB1 ALA 13 13.316 8.878 -15.310
98 HB2 ALA 13 HB2 ALA 13 12.311 9.294 -13.875
99 HB3 ALA 13 HB3 ALA 13 12.448 7.581 -14.398
100 H LEU 14 HN LEU 14 10.916 6.256 -15.866
101 HA LEU 14 HA LEU 14 12.272 5.771 -18.223
102 HB2 LEU 14 HB1 LEU 14 11.818 4.147 -16.374
103 HB3 LEU 14 HB2 LEU 14 10.090 4.128 -16.824
104 HG LEU 14 HG LEU 14 10.718 3.120 -19.062
105 HD11 LEU 14 HD11 LEU 14 13.022 2.155 -19.346
106 HD12 LEU 14 HD12 LEU 14 13.557 3.000 -17.849
107 HD13 LEU 14 HD13 LEU 14 13.058 3.951 -19.298
108 HD21 LEU 14 HD21 LEU 14 11.740 1.597 -16.588
109 HD22 LEU 14 HD22 LEU 14 11.275 0.864 -18.168
110 HD23 LEU 14 HD23 LEU 14 10.022 1.686 -17.158
111 H LYS 15 HN LYS 15 8.696 6.139 -17.840
112 HA LYS 15 HA LYS 15 8.558 6.436 -20.751
113 HB2 LYS 15 HB1 LYS 15 8.113 3.919 -19.622
114 HB3 LYS 15 HB2 LYS 15 6.470 4.596 -19.660
115 HG2 LYS 15 HG1 LYS 15 6.584 3.520 -21.693
116 HG3 LYS 15 HG2 LYS 15 6.999 5.164 -22.215
117 HD2 LYS 15 HD1 LYS 15 9.386 3.479 -21.402
118 HD3 LYS 15 HD2 LYS 15 8.382 2.708 -22.651
119 HE2 LYS 15 HE1 LYS 15 10.189 3.876 -23.759
120 HE3 LYS 15 HE2 LYS 15 8.640 4.718 -24.160
121 HZ1 LYS 15 HZ1 LYS 15 10.399 5.579 -21.918
122 HZ2 LYS 15 HZ2 LYS 15 9.157 6.426 -22.663
123 HZ3 LYS 15 HZ3 LYS 15 10.586 6.185 -23.485
124 H GLY 16 HN GLY 16 7.940 8.071 -18.153
125 HA2 GLY 16 HA1 GLY 16 5.529 9.270 -19.405
126 HA3 GLY 16 HA2 GLY 16 6.233 9.666 -17.789
127 H ALA 17 HN ALA 17 8.382 10.624 -17.761
128 HA ALA 17 HA ALA 17 8.641 12.808 -19.473
129 HB1 ALA 17 HB1 ALA 17 9.527 12.700 -17.129
130 HB2 ALA 17 HB2 ALA 17 10.735 11.465 -17.648
131 HB3 ALA 17 HB3 ALA 17 10.827 13.151 -18.288
132 H ALA 18 HN ALA 18 10.503 9.684 -19.538
133 HA ALA 18 HA ALA 18 11.733 10.506 -22.035
134 HB1 ALA 18 HB1 ALA 18 11.899 7.863 -20.490
135 HB2 ALA 18 HB2 ALA 18 12.942 8.360 -21.883
136 HB3 ALA 18 HB3 ALA 18 13.024 9.251 -20.324
137 H LYS 19 HN LYS 19 8.590 9.689 -21.608
138 HA LYS 19 HA LYS 19 8.561 8.495 -24.308
139 HB2 LYS 19 HB1 LYS 19 6.821 7.739 -22.537
140 HB3 LYS 19 HB2 LYS 19 6.082 9.332 -22.714
141 HG2 LYS 19 HG1 LYS 19 6.548 7.142 -24.861
142 HG3 LYS 19 HG2 LYS 19 4.992 7.468 -24.062
143 HD2 LYS 19 HD1 LYS 19 6.360 9.447 -26.024
144 HD3 LYS 19 HD2 LYS 19 5.276 8.144 -26.515
145 HE2 LYS 19 HE1 LYS 19 4.132 10.374 -26.433
146 HE3 LYS 19 HE2 LYS 19 3.337 9.123 -25.398
147 HZ1 LYS 19 HZ1 LYS 19 5.448 10.591 -24.143
148 HZ2 LYS 19 HZ2 LYS 19 4.010 10.159 -23.512
149 HZ3 LYS 19 HZ3 LYS 19 4.141 11.579 -24.402
150 H GLU 20 HN GLU 20 7.490 11.459 -22.409
151 HA GLU 20 HA GLU 20 6.811 12.892 -24.647
152 HB2 GLU 20 HB1 GLU 20 8.032 14.265 -22.200
153 HB3 GLU 20 HB2 GLU 20 6.819 14.882 -23.360
154 HG2 GLU 20 HG1 GLU 20 6.444 13.036 -20.966
155 HG3 GLU 20 HG2 GLU 20 5.551 14.519 -21.433
156 H LEU 21 HN LEU 21 10.039 12.917 -23.072
157 HA LEU 21 HA LEU 21 11.248 14.737 -24.792
158 HB2 LEU 21 HB1 LEU 21 12.135 13.903 -22.589
159 HB3 LEU 21 HB2 LEU 21 12.441 12.307 -23.333
160 HG LEU 21 HG LEU 21 14.117 13.375 -24.885
161 HD11 LEU 21 HD11 LEU 21 13.582 15.924 -23.223
162 HD12 LEU 21 HD12 LEU 21 13.263 15.701 -24.988
163 HD13 LEU 21 HD13 LEU 21 14.950 15.687 -24.375
164 HD21 LEU 21 HD21 LEU 21 15.870 13.735 -23.160
165 HD22 LEU 21 HD22 LEU 21 14.830 12.325 -22.738
166 HD23 LEU 21 HD23 LEU 21 14.605 13.902 -21.886
167 H ALA 22 HN ALA 22 10.551 11.321 -25.327
168 HA ALA 22 HA ALA 22 12.260 11.249 -27.724
169 HB1 ALA 22 HB1 ALA 22 12.489 9.422 -26.024
170 HB2 ALA 22 HB2 ALA 22 10.726 9.075 -26.167
171 HB3 ALA 22 HB3 ALA 22 11.824 8.775 -27.568
172 H SER 23 HN SER 23 9.187 12.290 -27.087
173 HA SER 23 HA SER 23 7.563 10.494 -28.393
174 HB2 SER 23 HB1 SER 23 6.936 12.389 -26.726
175 HB3 SER 23 HB2 SER 23 6.767 13.443 -28.159
176 HG SER 23 HG1 SER 23 5.292 11.819 -28.966
177 H THR 24 HN THR 24 9.141 13.352 -29.810
178 HA THR 24 HA THR 24 7.683 13.030 -32.294
179 HB THR 24 HB THR 24 10.038 14.917 -31.932
180 HG1 THR 24 HG1 THR 24 8.615 16.358 -30.976
181 HG21 THR 24 HG21 THR 24 7.209 15.173 -33.197
182 HG22 THR 24 HG22 THR 24 8.718 14.842 -34.122
183 HG23 THR 24 HG23 THR 24 8.513 16.415 -33.278
184 H TYR 25 HN TYR 25 10.188 11.346 -31.013
185 HA TYR 25 HA TYR 25 11.738 11.230 -33.558
186 HB2 TYR 25 HB1 TYR 25 12.771 10.832 -30.671
187 HB3 TYR 25 HB2 TYR 25 13.769 10.891 -32.179
188 HD1 TYR 25 HD1 TYR 25 13.383 13.092 -33.646
189 HD2 TYR 25 HD2 TYR 25 12.549 12.804 -29.438
190 HE1 TYR 25 HE1 TYR 25 13.461 15.554 -33.461
191 HE2 TYR 25 HE2 TYR 25 12.621 15.268 -29.256
192 HH TYR 25 HH TYR 25 13.309 17.329 -32.091
193 H LEU 26 HN LEU 26 10.570 9.353 -30.730
194 HA LEU 26 HA LEU 26 11.033 6.863 -32.261
195 HB2 LEU 26 HB1 LEU 26 10.686 7.507 -29.278
196 HB3 LEU 26 HB2 LEU 26 10.494 5.843 -29.911
197 HG LEU 26 HG LEU 26 12.655 6.105 -28.897
198 HD11 LEU 26 HD11 LEU 26 12.966 5.818 -31.949
199 HD12 LEU 26 HD12 LEU 26 12.369 4.533 -30.834
200 HD13 LEU 26 HD13 LEU 26 14.057 5.154 -30.685
201 HD21 LEU 26 HD21 LEU 26 14.471 7.499 -29.721
202 HD22 LEU 26 HD22 LEU 26 13.064 8.573 -29.356
203 HD23 LEU 26 HD23 LEU 26 13.460 8.132 -31.061
204 H HIS 27 HN HIS 27 8.677 9.128 -31.834
205 HA HIS 27 HA HIS 27 6.496 9.204 -31.993
206 HB2 HIS 27 HB1 HIS 27 6.936 6.812 -33.838
207 HB3 HIS 27 HB2 HIS 27 5.626 8.060 -33.963
208 HD2 HIS 27 HD2 HIS 27 9.221 7.469 -35.242
209 HE1 HIS 27 HE1 HIS 27 8.591 11.662 -35.262
210 HE2 HIS 27 HE2 HIS 27 10.156 9.769 -35.948
Start of MODEL 9
1 H1 GLY 1 HN GLY 1 1.112 0.099 0.315
2 HA2 GLY 1 HA1 GLY 1 1.065 2.009 -1.320
3 HA3 GLY 1 HA2 GLY 1 1.689 2.459 0.319
4 H ILE 2 HN ILE 2 4.035 0.698 -0.369
5 HA ILE 2 HA ILE 2 5.833 2.735 -0.898
6 HB ILE 2 HB ILE 2 6.386 0.748 0.364
7 HG12 ILE 2 HG11 ILE 2 8.269 1.074 -2.050
8 HG13 ILE 2 HG12 ILE 2 8.145 2.230 -0.686
9 HG21 ILE 2 HG21 ILE 2 6.488 -0.774 -2.328
10 HG22 ILE 2 HG22 ILE 2 6.867 -1.418 -0.698
11 HG23 ILE 2 HG23 ILE 2 5.183 -0.955 -1.087
12 HD11 ILE 2 HD1 ILE 2 8.796 0.386 0.925
13 HD12 ILE 2 HD2 ILE 2 9.000 -0.736 -0.468
14 HD13 ILE 2 HD3 ILE 2 10.060 0.706 -0.315
15 H GLY 3 HN GLY 3 4.431 0.471 -3.229
16 HA2 GLY 3 HA1 GLY 3 6.033 1.073 -5.456
17 HA3 GLY 3 HA2 GLY 3 4.318 0.540 -5.485
18 H GLY 4 HN GLY 4 3.352 2.939 -4.060
19 HA2 GLY 4 HA1 GLY 4 3.128 4.710 -6.344
20 HA3 GLY 4 HA2 GLY 4 2.331 4.838 -4.738
21 H LYS 5 HN LYS 5 5.390 4.428 -3.860
22 HA LYS 5 HA LYS 5 6.110 7.280 -4.091
23 HB2 LYS 5 HB1 LYS 5 6.048 6.141 -1.810
24 HB3 LYS 5 HB2 LYS 5 7.349 5.058 -2.363
25 HG2 LYS 5 HG1 LYS 5 8.314 6.787 -0.998
26 HG3 LYS 5 HG2 LYS 5 8.853 7.088 -2.681
27 HD2 LYS 5 HD1 LYS 5 7.189 8.879 -2.968
28 HD3 LYS 5 HD2 LYS 5 6.439 8.533 -1.389
29 HE2 LYS 5 HE1 LYS 5 9.341 9.566 -1.795
30 HE3 LYS 5 HE2 LYS 5 7.912 10.607 -1.417
31 HZ1 LYS 5 HZ1 LYS 5 8.949 8.392 0.284
32 HZ2 LYS 5 HZ2 LYS 5 7.606 9.366 0.627
33 HZ3 LYS 5 HZ3 LYS 5 9.154 10.052 0.563
34 H ILE 6 HN ILE 6 7.605 3.981 -4.473
35 HA ILE 6 HA ILE 6 9.861 5.112 -5.749
36 HB ILE 6 HB ILE 6 10.711 2.903 -6.092
37 HG12 ILE 6 HG11 ILE 6 8.005 1.894 -5.016
38 HG13 ILE 6 HG12 ILE 6 8.605 1.690 -6.697
39 HG21 ILE 6 HG21 ILE 6 9.406 3.248 -3.309
40 HG22 ILE 6 HG22 ILE 6 10.931 2.381 -3.700
41 HG23 ILE 6 HG23 ILE 6 10.851 4.164 -3.892
42 HD11 ILE 6 HD1 ILE 6 10.572 0.356 -5.809
43 HD12 ILE 6 HD2 ILE 6 9.859 0.459 -4.158
44 HD13 ILE 6 HD3 ILE 6 8.974 -0.398 -5.463
45 H LEU 7 HN LEU 7 6.974 3.495 -7.277
46 HA LEU 7 HA LEU 7 8.316 3.478 -9.816
47 HB2 LEU 7 HB1 LEU 7 5.357 3.078 -9.147
48 HB3 LEU 7 HB2 LEU 7 6.113 2.755 -10.736
49 HG LEU 7 HG LEU 7 6.784 1.308 -8.106
50 HD11 LEU 7 HD11 LEU 7 5.598 -0.630 -9.123
51 HD12 LEU 7 HD12 LEU 7 5.176 0.371 -10.563
52 HD13 LEU 7 HD13 LEU 7 4.503 0.791 -8.946
53 HD21 LEU 7 HD21 LEU 7 8.771 1.316 -9.606
54 HD22 LEU 7 HD22 LEU 7 7.742 0.767 -10.992
55 HD23 LEU 7 HD23 LEU 7 8.017 -0.316 -9.576
56 H SER 8 HN SER 8 6.407 5.758 -8.056
57 HA SER 8 HA SER 8 5.608 7.429 -10.149
58 HB2 SER 8 HB1 SER 8 6.144 8.083 -7.198
59 HB3 SER 8 HB2 SER 8 5.197 9.105 -8.350
60 HG SER 8 HG1 SER 8 4.082 7.436 -6.919
61 H GLY 9 HN GLY 9 8.758 6.967 -8.759
62 HA2 GLY 9 HA1 GLY 9 9.691 9.247 -10.451
63 HA3 GLY 9 HA2 GLY 9 10.657 8.373 -9.217
64 H LEU 10 HN LEU 10 10.251 5.745 -9.801
65 HA LEU 10 HA LEU 10 12.165 5.445 -11.758
66 HB2 LEU 10 HB1 LEU 10 11.760 4.090 -9.707
67 HB3 LEU 10 HB2 LEU 10 10.343 3.329 -10.467
68 HG LEU 10 HG LEU 10 12.504 2.007 -10.302
69 HD11 LEU 10 HD11 LEU 10 12.286 0.829 -12.404
70 HD12 LEU 10 HD12 LEU 10 11.450 2.238 -13.170
71 HD13 LEU 10 HD13 LEU 10 10.648 1.325 -11.815
72 HD21 LEU 10 HD21 LEU 10 13.493 3.744 -12.647
73 HD22 LEU 10 HD22 LEU 10 14.314 2.313 -11.930
74 HD23 LEU 10 HD23 LEU 10 14.110 3.809 -10.953
75 H LYS 11 HN LYS 11 8.619 4.873 -12.160
76 HA LYS 11 HA LYS 11 9.193 4.119 -14.970
77 HB2 LYS 11 HB1 LYS 11 6.865 3.575 -13.094
78 HB3 LYS 11 HB2 LYS 11 6.650 3.461 -14.867
79 HG2 LYS 11 HG1 LYS 11 8.864 1.934 -13.395
80 HG3 LYS 11 HG2 LYS 11 7.216 1.267 -13.631
81 HD2 LYS 11 HD1 LYS 11 7.356 1.347 -16.027
82 HD3 LYS 11 HD2 LYS 11 8.872 2.276 -16.033
83 HE2 LYS 11 HE1 LYS 11 8.636 -0.615 -14.935
84 HE3 LYS 11 HE2 LYS 11 9.111 -0.199 -16.630
85 HZ1 LYS 11 HZ1 LYS 11 11.032 -0.531 -15.226
86 HZ2 LYS 11 HZ2 LYS 11 10.528 0.699 -14.170
87 HZ3 LYS 11 HZ3 LYS 11 10.957 1.075 -15.760
88 H THR 12 HN THR 12 7.788 6.690 -12.989
89 HA THR 12 HA THR 12 6.615 8.134 -15.072
90 HB THR 12 HB THR 12 8.138 9.253 -12.680
91 HG1 THR 12 HG1 THR 12 6.248 9.133 -11.691
92 HG21 THR 12 HG21 THR 12 5.861 10.400 -14.457
93 HG22 THR 12 HG22 THR 12 7.556 11.022 -14.409
94 HG23 THR 12 HG23 THR 12 6.503 11.169 -12.963
95 H ALA 13 HN ALA 13 10.097 7.994 -14.038
96 HA ALA 13 HA ALA 13 11.027 9.830 -15.908
97 HB1 ALA 13 HB1 ALA 13 12.343 7.260 -14.826
98 HB2 ALA 13 HB2 ALA 13 13.216 8.632 -15.615
99 HB3 ALA 13 HB3 ALA 13 12.382 8.875 -14.040
100 H LEU 14 HN LEU 14 10.450 6.301 -16.349
101 HA LEU 14 HA LEU 14 11.445 6.332 -19.031
102 HB2 LEU 14 HB1 LEU 14 11.534 4.370 -17.485
103 HB3 LEU 14 HB2 LEU 14 9.744 4.279 -17.509
104 HG LEU 14 HG LEU 14 9.835 3.780 -19.988
105 HD11 LEU 14 HD11 LEU 14 12.893 3.711 -19.555
106 HD12 LEU 14 HD12 LEU 14 11.982 4.854 -20.612
107 HD13 LEU 14 HD13 LEU 14 12.025 3.108 -21.013
108 HD21 LEU 14 HD21 LEU 14 10.687 1.463 -19.769
109 HD22 LEU 14 HD22 LEU 14 9.711 1.932 -18.329
110 HD23 LEU 14 HD23 LEU 14 11.529 1.893 -18.237
111 H LYS 15 HN LYS 15 8.033 6.111 -17.770
112 HA LYS 15 HA LYS 15 7.128 6.295 -20.575
113 HB2 LYS 15 HB1 LYS 15 6.498 4.188 -19.463
114 HB3 LYS 15 HB2 LYS 15 5.927 5.100 -18.041
115 HG2 LYS 15 HG1 LYS 15 4.002 4.282 -19.050
116 HG3 LYS 15 HG2 LYS 15 3.974 6.004 -19.378
117 HD2 LYS 15 HD1 LYS 15 4.349 3.625 -21.229
118 HD3 LYS 15 HD2 LYS 15 3.127 4.915 -21.321
119 HE2 LYS 15 HE1 LYS 15 6.111 5.151 -22.093
120 HE3 LYS 15 HE2 LYS 15 4.755 4.865 -23.223
121 HZ1 LYS 15 HZ1 LYS 15 4.056 7.129 -23.027
122 HZ2 LYS 15 HZ2 LYS 15 5.722 7.061 -23.039
123 HZ3 LYS 15 HZ3 LYS 15 4.906 7.430 -21.639
124 H GLY 16 HN GLY 16 7.599 8.353 -18.033
125 HA2 GLY 16 HA1 GLY 16 5.447 10.127 -19.066
126 HA3 GLY 16 HA2 GLY 16 6.376 10.339 -17.535
127 H ALA 17 HN ALA 17 8.658 10.804 -17.694
128 HA ALA 17 HA ALA 17 8.983 12.924 -19.474
129 HB1 ALA 17 HB1 ALA 17 10.022 12.782 -17.208
130 HB2 ALA 17 HB2 ALA 17 11.098 11.456 -17.788
131 HB3 ALA 17 HB3 ALA 17 11.260 13.120 -18.469
132 H ALA 18 HN ALA 18 10.815 9.749 -19.638
133 HA ALA 18 HA ALA 18 12.376 10.672 -21.748
134 HB1 ALA 18 HB1 ALA 18 12.998 8.798 -20.226
135 HB2 ALA 18 HB2 ALA 18 11.713 7.776 -20.964
136 HB3 ALA 18 HB3 ALA 18 13.126 8.311 -21.955
137 H LYS 19 HN LYS 19 9.494 8.474 -22.022
138 HA LYS 19 HA LYS 19 9.770 8.344 -24.836
139 HB2 LYS 19 HB1 LYS 19 8.404 6.854 -23.100
140 HB3 LYS 19 HB2 LYS 19 7.048 7.903 -23.590
141 HG2 LYS 19 HG1 LYS 19 8.847 6.118 -25.373
142 HG3 LYS 19 HG2 LYS 19 7.181 5.734 -24.866
143 HD2 LYS 19 HD1 LYS 19 8.050 7.937 -26.847
144 HD3 LYS 19 HD2 LYS 19 7.321 6.378 -27.239
145 HE2 LYS 19 HE1 LYS 19 5.227 7.207 -27.121
146 HE3 LYS 19 HE2 LYS 19 5.479 7.637 -25.390
147 HZ1 LYS 19 HZ1 LYS 19 6.762 9.629 -26.530
148 HZ2 LYS 19 HZ2 LYS 19 5.132 9.671 -26.201
149 HZ3 LYS 19 HZ3 LYS 19 5.660 9.348 -27.775
150 H GLU 20 HN GLU 20 7.755 10.590 -22.792
151 HA GLU 20 HA GLU 20 6.565 11.663 -25.148
152 HB2 GLU 20 HB1 GLU 20 6.362 12.365 -22.241
153 HB3 GLU 20 HB2 GLU 20 5.690 13.434 -23.512
154 HG2 GLU 20 HG1 GLU 20 3.978 11.852 -22.593
155 HG3 GLU 20 HG2 GLU 20 4.199 11.683 -24.370
156 H LEU 21 HN LEU 21 9.405 12.746 -23.190
157 HA LEU 21 HA LEU 21 9.817 15.097 -24.686
158 HB2 LEU 21 HB1 LEU 21 10.921 14.572 -22.497
159 HB3 LEU 21 HB2 LEU 21 11.835 13.256 -23.285
160 HG LEU 21 HG LEU 21 12.993 14.955 -24.743
161 HD11 LEU 21 HD11 LEU 21 12.852 17.389 -24.132
162 HD12 LEU 21 HD12 LEU 21 11.479 17.025 -23.019
163 HD13 LEU 21 HD13 LEU 21 11.303 16.772 -24.799
164 HD21 LEU 21 HD21 LEU 21 14.439 15.891 -22.948
165 HD22 LEU 21 HD22 LEU 21 14.011 14.172 -22.608
166 HD23 LEU 21 HD23 LEU 21 13.180 15.503 -21.714
167 H ALA 22 HN ALA 22 10.882 11.713 -25.281
168 HA ALA 22 HA ALA 22 12.246 12.533 -27.708
169 HB1 ALA 22 HB1 ALA 22 12.951 10.164 -27.800
170 HB2 ALA 22 HB2 ALA 22 13.207 10.817 -26.140
171 HB3 ALA 22 HB3 ALA 22 11.793 9.756 -26.472
172 H SER 23 HN SER 23 9.115 12.635 -27.385
173 HA SER 23 HA SER 23 8.135 10.451 -28.861
174 HB2 SER 23 HB1 SER 23 6.801 11.976 -27.252
175 HB3 SER 23 HB2 SER 23 6.604 13.099 -28.627
176 HG SER 23 HG1 SER 23 5.649 11.344 -29.769
177 H THR 24 HN THR 24 9.491 13.465 -30.081
178 HA THR 24 HA THR 24 8.313 13.332 -32.641
179 HB THR 24 HB THR 24 11.116 14.407 -32.085
180 HG1 THR 24 HG1 THR 24 10.025 16.311 -31.476
181 HG21 THR 24 HG21 THR 24 10.341 16.184 -33.702
182 HG22 THR 24 HG22 THR 24 8.721 15.397 -33.800
183 HG23 THR 24 HG23 THR 24 10.178 14.560 -34.449
184 H TYR 25 HN TYR 25 10.767 11.421 -31.118
185 HA TYR 25 HA TYR 25 11.877 10.547 -33.728
186 HB2 TYR 25 HB1 TYR 25 13.200 10.279 -30.957
187 HB3 TYR 25 HB2 TYR 25 13.987 10.158 -32.578
188 HD1 TYR 25 HD1 TYR 25 13.626 12.398 -34.080
189 HD2 TYR 25 HD2 TYR 25 13.430 12.235 -29.792
190 HE1 TYR 25 HE1 TYR 25 14.018 14.845 -33.964
191 HE2 TYR 25 HE2 TYR 25 13.809 14.677 -29.676
192 HH TYR 25 HH TYR 25 14.200 16.563 -30.840
193 H LEU 26 HN LEU 26 10.697 9.436 -30.539
194 HA LEU 26 HA LEU 26 10.810 6.635 -31.461
195 HB2 LEU 26 HB1 LEU 26 10.696 8.029 -28.738
196 HB3 LEU 26 HB2 LEU 26 10.196 6.317 -28.889
197 HG LEU 26 HG LEU 26 12.454 6.497 -28.052
198 HD11 LEU 26 HD11 LEU 26 13.521 4.827 -29.515
199 HD12 LEU 26 HD12 LEU 26 12.433 5.264 -30.877
200 HD13 LEU 26 HD13 LEU 26 11.750 4.496 -29.395
201 HD21 LEU 26 HD21 LEU 26 14.383 7.235 -29.354
202 HD22 LEU 26 HD22 LEU 26 13.200 8.597 -29.248
203 HD23 LEU 26 HD23 LEU 26 13.347 7.632 -30.767
204 H HIS 27 HN HIS 27 8.627 9.071 -31.681
205 HA HIS 27 HA HIS 27 6.440 9.244 -31.814
206 HB2 HIS 27 HB1 HIS 27 6.807 6.493 -33.084
207 HB3 HIS 27 HB2 HIS 27 5.498 7.691 -33.463
208 HD2 HIS 27 HD2 HIS 27 9.122 6.883 -34.587
209 HE1 HIS 27 HE1 HIS 27 8.450 10.988 -35.405
210 HE2 HIS 27 HE2 HIS 27 10.044 9.021 -35.699
Start of MODEL 10
1 H1 GLY 1 HN GLY 1 0.982 -0.153 0.016
2 HA2 GLY 1 HA1 GLY 1 0.878 1.778 -1.569
3 HA3 GLY 1 HA2 GLY 1 1.398 2.253 0.099
4 H ILE 2 HN ILE 2 3.875 0.610 -0.610
5 HA ILE 2 HA ILE 2 5.578 2.768 -1.025
6 HB ILE 2 HB ILE 2 6.233 0.767 0.164
7 HG12 ILE 2 HG11 ILE 2 8.094 1.240 -2.240
8 HG13 ILE 2 HG12 ILE 2 7.917 2.369 -0.858
9 HG21 ILE 2 HG21 ILE 2 6.404 -0.659 -2.576
10 HG22 ILE 2 HG22 ILE 2 6.817 -1.337 -0.970
11 HG23 ILE 2 HG23 ILE 2 5.112 -0.943 -1.341
12 HD11 ILE 2 HD1 ILE 2 8.910 -0.558 -0.693
13 HD12 ILE 2 HD2 ILE 2 9.907 0.923 -0.517
14 HD13 ILE 2 HD3 ILE 2 8.660 0.524 0.721
15 H GLY 3 HN GLY 3 4.324 0.508 -3.423
16 HA2 GLY 3 HA1 GLY 3 5.857 1.200 -5.655
17 HA3 GLY 3 HA2 GLY 3 4.158 0.621 -5.662
18 H GLY 4 HN GLY 4 3.203 2.975 -4.157
19 HA2 GLY 4 HA1 GLY 4 2.671 4.664 -6.418
20 HA3 GLY 4 HA2 GLY 4 2.056 4.808 -4.735
21 H LYS 5 HN LYS 5 5.281 4.651 -4.309
22 HA LYS 5 HA LYS 5 5.782 7.414 -5.229
23 HB2 LYS 5 HB1 LYS 5 6.911 8.111 -3.234
24 HB3 LYS 5 HB2 LYS 5 5.229 7.631 -2.916
25 HG2 LYS 5 HG1 LYS 5 6.205 6.757 -1.091
26 HG3 LYS 5 HG2 LYS 5 6.243 5.306 -2.133
27 HD2 LYS 5 HD1 LYS 5 8.630 5.679 -2.647
28 HD3 LYS 5 HD2 LYS 5 8.616 7.289 -1.887
29 HE2 LYS 5 HE1 LYS 5 8.192 4.621 -0.360
30 HE3 LYS 5 HE2 LYS 5 9.763 5.508 -0.486
31 HZ1 LYS 5 HZ1 LYS 5 8.602 6.032 1.558
32 HZ2 LYS 5 HZ2 LYS 5 7.249 6.585 0.699
33 HZ3 LYS 5 HZ3 LYS 5 8.723 7.406 0.577
34 H ILE 6 HN ILE 6 7.225 4.146 -4.673
35 HA ILE 6 HA ILE 6 9.704 5.120 -5.739
36 HB ILE 6 HB ILE 6 10.513 2.913 -5.927
37 HG12 ILE 6 HG11 ILE 6 7.738 1.945 -5.021
38 HG13 ILE 6 HG12 ILE 6 8.432 1.717 -6.664
39 HG21 ILE 6 HG21 ILE 6 10.508 4.227 -3.766
40 HG22 ILE 6 HG22 ILE 6 8.994 3.365 -3.276
41 HG23 ILE 6 HG23 ILE 6 10.526 2.449 -3.510
42 HD11 ILE 6 HD1 ILE 6 9.548 0.513 -4.048
43 HD12 ILE 6 HD2 ILE 6 8.718 -0.356 -5.383
44 HD13 ILE 6 HD3 ILE 6 10.334 0.383 -5.663
45 H LEU 7 HN LEU 7 6.859 3.533 -7.377
46 HA LEU 7 HA LEU 7 8.309 3.428 -9.853
47 HB2 LEU 7 HB1 LEU 7 5.311 3.147 -9.298
48 HB3 LEU 7 HB2 LEU 7 6.121 2.759 -10.845
49 HG LEU 7 HG LEU 7 6.630 1.352 -8.157
50 HD11 LEU 7 HD11 LEU 7 5.089 0.415 -10.657
51 HD12 LEU 7 HD12 LEU 7 4.366 0.900 -9.080
52 HD13 LEU 7 HD13 LEU 7 5.414 -0.564 -9.179
53 HD21 LEU 7 HD21 LEU 7 7.681 0.706 -10.990
54 HD22 LEU 7 HD22 LEU 7 7.859 -0.350 -9.542
55 HD23 LEU 7 HD23 LEU 7 8.675 1.251 -9.578
56 H SER 8 HN SER 8 6.360 5.780 -8.217
57 HA SER 8 HA SER 8 5.685 7.435 -10.331
58 HB2 SER 8 HB1 SER 8 6.190 8.209 -7.406
59 HB3 SER 8 HB2 SER 8 5.169 9.103 -8.601
60 HG SER 8 HG1 SER 8 4.016 7.572 -7.161
61 H GLY 9 HN GLY 9 8.800 6.977 -8.846
62 HA2 GLY 9 HA1 GLY 9 9.797 9.163 -10.621
63 HA3 GLY 9 HA2 GLY 9 10.726 8.347 -9.322
64 H LEU 10 HN LEU 10 10.298 5.700 -9.780
65 HA LEU 10 HA LEU 10 12.280 5.263 -11.631
66 HB2 LEU 10 HB1 LEU 10 11.803 4.066 -9.518
67 HB3 LEU 10 HB2 LEU 10 10.393 3.269 -10.249
68 HG LEU 10 HG LEU 10 12.577 1.973 -9.908
69 HD11 LEU 10 HD11 LEU 10 11.344 1.851 -12.713
70 HD12 LEU 10 HD12 LEU 10 10.706 1.065 -11.215
71 HD13 LEU 10 HD13 LEU 10 12.298 0.558 -11.885
72 HD21 LEU 10 HD21 LEU 10 13.524 3.404 -12.467
73 HD22 LEU 10 HD22 LEU 10 14.339 2.049 -11.606
74 HD23 LEU 10 HD23 LEU 10 14.180 3.649 -10.806
75 H LYS 11 HN LYS 11 8.755 4.874 -12.204
76 HA LYS 11 HA LYS 11 9.450 4.081 -14.983
77 HB2 LYS 11 HB1 LYS 11 7.019 3.468 -13.271
78 HB3 LYS 11 HB2 LYS 11 6.994 3.300 -15.053
79 HG2 LYS 11 HG1 LYS 11 9.048 1.861 -13.254
80 HG3 LYS 11 HG2 LYS 11 7.482 1.170 -13.747
81 HD2 LYS 11 HD1 LYS 11 8.254 0.481 -15.689
82 HD3 LYS 11 HD2 LYS 11 8.722 2.112 -16.199
83 HE2 LYS 11 HE1 LYS 11 10.530 0.309 -14.424
84 HE3 LYS 11 HE2 LYS 11 10.531 0.223 -16.226
85 HZ1 LYS 11 HZ1 LYS 11 11.146 2.702 -14.667
86 HZ2 LYS 11 HZ2 LYS 11 11.186 2.508 -16.340
87 HZ3 LYS 11 HZ3 LYS 11 12.268 1.659 -15.355
88 H THR 12 HN THR 12 7.898 6.632 -13.052
89 HA THR 12 HA THR 12 6.779 7.999 -15.204
90 HB THR 12 HB THR 12 8.205 9.245 -12.819
91 HG1 THR 12 HG1 THR 12 6.295 9.103 -11.879
92 HG21 THR 12 HG21 THR 12 6.531 11.101 -13.225
93 HG22 THR 12 HG22 THR 12 5.940 10.251 -14.695
94 HG23 THR 12 HG23 THR 12 7.615 10.922 -14.644
95 H ALA 13 HN ALA 13 10.230 7.993 -14.070
96 HA ALA 13 HA ALA 13 11.201 9.833 -15.872
97 HB1 ALA 13 HB1 ALA 13 12.511 8.818 -14.005
98 HB2 ALA 13 HB2 ALA 13 12.507 7.232 -14.851
99 HB3 ALA 13 HB3 ALA 13 13.389 8.640 -15.563
100 H LEU 14 HN LEU 14 10.371 6.429 -16.497
101 HA LEU 14 HA LEU 14 11.409 6.507 -19.205
102 HB2 LEU 14 HB1 LEU 14 11.415 4.441 -17.826
103 HB3 LEU 14 HB2 LEU 14 9.619 4.499 -17.730
104 HG LEU 14 HG LEU 14 9.497 4.165 -20.219
105 HD11 LEU 14 HD11 LEU 14 12.565 3.838 -20.049
106 HD12 LEU 14 HD12 LEU 14 11.666 5.119 -20.949
107 HD13 LEU 14 HD13 LEU 14 11.539 3.407 -21.463
108 HD21 LEU 14 HD21 LEU 14 10.139 1.786 -20.226
109 HD22 LEU 14 HD22 LEU 14 9.366 2.215 -18.660
110 HD23 LEU 14 HD23 LEU 14 11.171 2.015 -18.774
111 H LYS 15 HN LYS 15 8.078 6.546 -17.757
112 HA LYS 15 HA LYS 15 7.022 6.884 -20.493
113 HB2 LYS 15 HB1 LYS 15 6.642 4.687 -19.361
114 HB3 LYS 15 HB2 LYS 15 5.917 5.541 -17.975
115 HG2 LYS 15 HG1 LYS 15 4.180 4.485 -19.142
116 HG3 LYS 15 HG2 LYS 15 3.940 6.211 -19.416
117 HD2 LYS 15 HD1 LYS 15 5.125 4.133 -21.386
118 HD3 LYS 15 HD2 LYS 15 3.446 4.728 -21.380
119 HE2 LYS 15 HE1 LYS 15 5.964 6.322 -22.178
120 HE3 LYS 15 HE2 LYS 15 4.627 5.746 -23.232
121 HZ1 LYS 15 HZ1 LYS 15 4.417 7.786 -21.081
122 HZ2 LYS 15 HZ2 LYS 15 3.126 7.315 -22.090
123 HZ3 LYS 15 HZ3 LYS 15 4.516 8.091 -22.682
124 H GLY 16 HN GLY 16 7.449 8.873 -17.822
125 HA2 GLY 16 HA1 GLY 16 5.214 10.547 -18.844
126 HA3 GLY 16 HA2 GLY 16 5.954 10.654 -17.207
127 H ALA 17 HN ALA 17 8.644 10.118 -18.529
128 HA ALA 17 HA ALA 17 9.067 12.849 -19.576
129 HB1 ALA 17 HB1 ALA 17 10.928 11.123 -17.839
130 HB2 ALA 17 HB2 ALA 17 11.308 12.762 -18.500
131 HB3 ALA 17 HB3 ALA 17 9.984 12.555 -17.300
132 H ALA 18 HN ALA 18 11.118 9.825 -19.617
133 HA ALA 18 HA ALA 18 12.494 10.752 -21.773
134 HB1 ALA 18 HB1 ALA 18 13.286 9.014 -20.171
135 HB2 ALA 18 HB2 ALA 18 12.134 7.832 -20.894
136 HB3 ALA 18 HB3 ALA 18 13.505 8.482 -21.876
137 H LYS 19 HN LYS 19 9.793 8.302 -22.074
138 HA LYS 19 HA LYS 19 10.173 8.103 -24.877
139 HB2 LYS 19 HB1 LYS 19 8.856 6.461 -23.437
140 HB3 LYS 19 HB2 LYS 19 7.531 7.657 -23.403
141 HG2 LYS 19 HG1 LYS 19 8.372 7.277 -26.206
142 HG3 LYS 19 HG2 LYS 19 8.270 5.678 -25.451
143 HD2 LYS 19 HD1 LYS 19 6.062 5.666 -25.787
144 HD3 LYS 19 HD2 LYS 19 5.871 7.010 -24.615
145 HE2 LYS 19 HE1 LYS 19 6.320 7.360 -27.665
146 HE3 LYS 19 HE2 LYS 19 4.729 7.428 -26.818
147 HZ1 LYS 19 HZ1 LYS 19 7.043 9.205 -26.275
148 HZ2 LYS 19 HZ2 LYS 19 5.538 9.258 -25.508
149 HZ3 LYS 19 HZ3 LYS 19 5.704 9.628 -27.174
150 H GLU 20 HN GLU 20 8.168 10.309 -22.926
151 HA GLU 20 HA GLU 20 6.842 11.518 -25.097
152 HB2 GLU 20 HB1 GLU 20 7.220 12.129 -22.158
153 HB3 GLU 20 HB2 GLU 20 6.379 13.286 -23.235
154 HG2 GLU 20 HG1 GLU 20 4.820 11.687 -22.012
155 HG3 GLU 20 HG2 GLU 20 4.629 11.720 -23.800
156 H LEU 21 HN LEU 21 9.803 12.477 -23.327
157 HA LEU 21 HA LEU 21 10.389 14.767 -24.815
158 HB2 LEU 21 HB1 LEU 21 11.450 14.075 -22.643
159 HB3 LEU 21 HB2 LEU 21 12.233 12.701 -23.474
160 HG LEU 21 HG LEU 21 13.552 14.321 -24.881
161 HD11 LEU 21 HD11 LEU 21 12.247 16.477 -23.094
162 HD12 LEU 21 HD12 LEU 21 12.047 16.294 -24.880
163 HD13 LEU 21 HD13 LEU 21 13.648 16.736 -24.200
164 HD21 LEU 21 HD21 LEU 21 14.491 13.380 -22.773
165 HD22 LEU 21 HD22 LEU 21 13.792 14.758 -21.838
166 HD23 LEU 21 HD23 LEU 21 15.080 15.059 -23.064
167 H ALA 22 HN ALA 22 11.227 11.328 -25.473
168 HA ALA 22 HA ALA 22 12.641 12.077 -27.890
169 HB1 ALA 22 HB1 ALA 22 11.929 9.353 -26.645
170 HB2 ALA 22 HB2 ALA 22 13.098 9.618 -27.996
171 HB3 ALA 22 HB3 ALA 22 13.451 10.268 -26.353
172 H SER 23 HN SER 23 9.420 11.987 -27.326
173 HA SER 23 HA SER 23 8.389 10.052 -29.015
174 HB2 SER 23 HB1 SER 23 7.204 11.560 -27.212
175 HB3 SER 23 HB2 SER 23 6.859 12.677 -28.557
176 HG SER 23 HG1 SER 23 5.761 10.958 -29.573
177 H THR 24 HN THR 24 9.210 13.436 -29.806
178 HA THR 24 HA THR 24 8.199 13.584 -32.360
179 HB THR 24 HB THR 24 10.854 14.799 -31.444
180 HG1 THR 24 HG1 THR 24 9.575 16.430 -30.599
181 HG21 THR 24 HG21 THR 24 8.541 15.816 -33.251
182 HG22 THR 24 HG22 THR 24 10.138 15.235 -33.847
183 HG23 THR 24 HG23 THR 24 10.045 16.730 -32.854
184 H TYR 25 HN TYR 25 11.214 12.067 -31.216
185 HA TYR 25 HA TYR 25 12.206 11.905 -33.981
186 HB2 TYR 25 HB1 TYR 25 13.655 11.331 -31.317
187 HB3 TYR 25 HB2 TYR 25 14.416 11.571 -32.939
188 HD1 TYR 25 HD1 TYR 25 13.797 13.866 -34.119
189 HD2 TYR 25 HD2 TYR 25 13.472 13.169 -29.891
190 HE1 TYR 25 HE1 TYR 25 13.796 16.305 -33.719
191 HE2 TYR 25 HE2 TYR 25 13.462 15.616 -29.491
192 HH TYR 25 HH TYR 25 13.753 17.945 -32.178
193 H LEU 26 HN LEU 26 11.170 9.796 -31.301
194 HA LEU 26 HA LEU 26 12.002 7.431 -32.888
195 HB2 LEU 26 HB1 LEU 26 11.400 7.964 -29.939
196 HB3 LEU 26 HB2 LEU 26 11.333 6.302 -30.595
197 HG LEU 26 HG LEU 26 13.671 6.370 -31.286
198 HD11 LEU 26 HD11 LEU 26 13.766 9.168 -29.997
199 HD12 LEU 26 HD12 LEU 26 14.168 8.718 -31.699
200 HD13 LEU 26 HD13 LEU 26 15.220 8.156 -30.358
201 HD21 LEU 26 HD21 LEU 26 13.215 7.133 -28.332
202 HD22 LEU 26 HD22 LEU 26 14.639 6.242 -28.992
203 HD23 LEU 26 HD23 LEU 26 13.001 5.489 -29.054
204 H HIS 27 HN HIS 27 9.158 9.279 -32.211
205 HA HIS 27 HA HIS 27 7.487 6.981 -33.002
206 HB2 HIS 27 HB1 HIS 27 6.887 8.752 -30.557
207 HB3 HIS 27 HB2 HIS 27 5.911 7.354 -31.141
208 HD2 HIS 27 HD2 HIS 27 7.710 4.849 -31.138
209 HE1 HIS 27 HE1 HIS 27 9.815 6.366 -27.785
210 HE2 HIS 27 HE2 HIS 27 9.415 4.332 -29.289
Start of MODEL 11
1 H1 GLY 1 HN GLY 1 0.503 -0.160 -0.070
2 HA2 GLY 1 HA1 GLY 1 0.672 1.798 -1.657
3 HA3 GLY 1 HA2 GLY 1 1.098 2.182 0.061
4 H ILE 2 HN ILE 2 3.481 0.413 -0.375
5 HA ILE 2 HA ILE 2 5.351 2.433 -0.576
6 HB ILE 2 HB ILE 2 5.702 0.387 0.660
7 HG12 ILE 2 HG11 ILE 2 7.899 0.770 -1.462
8 HG13 ILE 2 HG12 ILE 2 7.614 1.857 -0.062
9 HG21 ILE 2 HG21 ILE 2 6.145 -1.041 -2.047
10 HG22 ILE 2 HG22 ILE 2 6.278 -1.749 -0.406
11 HG23 ILE 2 HG23 ILE 2 4.675 -1.231 -1.008
12 HD11 ILE 2 HD1 ILE 2 8.378 -1.137 0.104
13 HD12 ILE 2 HD2 ILE 2 9.434 0.268 0.477
14 HD13 ILE 2 HD3 ILE 2 8.007 -0.083 1.516
15 H GLY 3 HN GLY 3 4.314 0.248 -3.173
16 HA2 GLY 3 HA1 GLY 3 6.223 0.960 -5.103
17 HA3 GLY 3 HA2 GLY 3 4.546 0.394 -5.419
18 H GLY 4 HN GLY 4 3.363 2.755 -4.036
19 HA2 GLY 4 HA1 GLY 4 3.244 4.446 -6.365
20 HA3 GLY 4 HA2 GLY 4 2.356 4.607 -4.812
21 H LYS 5 HN LYS 5 5.359 4.420 -3.699
22 HA LYS 5 HA LYS 5 6.048 7.224 -4.345
23 HB2 LYS 5 HB1 LYS 5 6.938 7.581 -2.120
24 HB3 LYS 5 HB2 LYS 5 5.212 7.196 -2.139
25 HG2 LYS 5 HG1 LYS 5 6.075 6.101 -0.225
26 HG3 LYS 5 HG2 LYS 5 5.593 4.882 -1.419
27 HD2 LYS 5 HD1 LYS 5 7.532 4.077 -0.379
28 HD3 LYS 5 HD2 LYS 5 8.041 4.519 -2.016
29 HE2 LYS 5 HE1 LYS 5 8.557 6.138 0.601
30 HE3 LYS 5 HE2 LYS 5 9.736 5.059 -0.241
31 HZ1 LYS 5 HZ1 LYS 5 10.294 7.139 -1.004
32 HZ2 LYS 5 HZ2 LYS 5 8.684 7.678 -1.082
33 HZ3 LYS 5 HZ3 LYS 5 9.250 6.602 -2.235
34 H ILE 6 HN ILE 6 6.935 4.362 -5.392
35 HA ILE 6 HA ILE 6 9.647 5.466 -5.802
36 HB ILE 6 HB ILE 6 10.575 3.172 -6.126
37 HG12 ILE 6 HG11 ILE 6 8.086 2.282 -4.541
38 HG13 ILE 6 HG12 ILE 6 8.363 1.928 -6.279
39 HG21 ILE 6 HG21 ILE 6 10.993 4.674 -4.140
40 HG22 ILE 6 HG22 ILE 6 9.636 3.844 -3.273
41 HG23 ILE 6 HG23 ILE 6 11.107 2.923 -3.750
42 HD11 ILE 6 HD1 ILE 6 8.993 -0.039 -4.955
43 HD12 ILE 6 HD2 ILE 6 10.483 0.678 -5.667
44 HD13 ILE 6 HD3 ILE 6 10.097 0.932 -3.925
45 H LEU 7 HN LEU 7 7.008 3.425 -7.267
46 HA LEU 7 HA LEU 7 8.258 3.312 -9.788
47 HB2 LEU 7 HB1 LEU 7 5.307 3.047 -9.001
48 HB3 LEU 7 HB2 LEU 7 5.969 2.629 -10.611
49 HG LEU 7 HG LEU 7 6.780 1.286 -7.964
50 HD11 LEU 7 HD11 LEU 7 5.450 -0.652 -8.782
51 HD12 LEU 7 HD12 LEU 7 4.941 0.293 -10.230
52 HD13 LEU 7 HD13 LEU 7 4.416 0.813 -8.586
53 HD21 LEU 7 HD21 LEU 7 7.826 -0.449 -9.450
54 HD22 LEU 7 HD22 LEU 7 8.630 1.149 -9.626
55 HD23 LEU 7 HD23 LEU 7 7.468 0.573 -10.889
56 H SER 8 HN SER 8 6.025 5.601 -8.321
57 HA SER 8 HA SER 8 5.428 7.221 -10.425
58 HB2 SER 8 HB1 SER 8 5.859 8.087 -7.510
59 HB3 SER 8 HB2 SER 8 4.745 8.834 -8.719
60 HG SER 8 HG1 SER 8 3.886 7.203 -7.124
61 H GLY 9 HN GLY 9 8.559 6.904 -8.978
62 HA2 GLY 9 HA1 GLY 9 9.422 9.254 -10.602
63 HA3 GLY 9 HA2 GLY 9 10.381 8.469 -9.304
64 H LEU 10 HN LEU 10 10.165 5.826 -9.840
65 HA LEU 10 HA LEU 10 12.211 5.553 -11.640
66 HB2 LEU 10 HB1 LEU 10 11.663 4.246 -9.576
67 HB3 LEU 10 HB2 LEU 10 10.362 3.400 -10.445
68 HG LEU 10 HG LEU 10 12.547 2.179 -10.022
69 HD11 LEU 10 HD11 LEU 10 12.605 0.942 -12.103
70 HD12 LEU 10 HD12 LEU 10 11.805 2.301 -12.990
71 HD13 LEU 10 HD13 LEU 10 10.895 1.378 -11.713
72 HD21 LEU 10 HD21 LEU 10 14.135 4.037 -10.548
73 HD22 LEU 10 HD22 LEU 10 13.706 3.908 -12.295
74 HD23 LEU 10 HD23 LEU 10 14.506 2.531 -11.458
75 H LYS 11 HN LYS 11 8.738 4.845 -12.286
76 HA LYS 11 HA LYS 11 9.541 4.189 -15.071
77 HB2 LYS 11 HB1 LYS 11 7.181 3.331 -13.366
78 HB3 LYS 11 HB2 LYS 11 7.074 3.282 -15.153
79 HG2 LYS 11 HG1 LYS 11 9.355 1.931 -13.615
80 HG3 LYS 11 HG2 LYS 11 7.813 1.096 -13.989
81 HD2 LYS 11 HD1 LYS 11 8.104 1.203 -16.334
82 HD3 LYS 11 HD2 LYS 11 9.381 2.435 -16.272
83 HE2 LYS 11 HE1 LYS 11 9.747 -0.464 -15.235
84 HE3 LYS 11 HE2 LYS 11 10.195 0.103 -16.893
85 HZ1 LYS 11 HZ1 LYS 11 12.080 0.170 -15.413
86 HZ2 LYS 11 HZ2 LYS 11 11.262 1.195 -14.336
87 HZ3 LYS 11 HZ3 LYS 11 11.658 1.743 -15.881
88 H THR 12 HN THR 12 7.888 6.618 -13.132
89 HA THR 12 HA THR 12 6.666 7.951 -15.276
90 HB THR 12 HB THR 12 8.001 9.210 -12.845
91 HG1 THR 12 HG1 THR 12 6.063 8.991 -11.955
92 HG21 THR 12 HG21 THR 12 5.738 10.171 -14.747
93 HG22 THR 12 HG22 THR 12 7.385 10.902 -14.643
94 HG23 THR 12 HG23 THR 12 6.265 11.010 -13.246
95 H ALA 13 HN ALA 13 10.095 8.086 -14.091
96 HA ALA 13 HA ALA 13 11.003 10.000 -15.849
97 HB1 ALA 13 HB1 ALA 13 12.327 9.031 -13.967
98 HB2 ALA 13 HB2 ALA 13 12.414 7.455 -14.826
99 HB3 ALA 13 HB3 ALA 13 13.244 8.908 -15.509
100 H LEU 14 HN LEU 14 10.546 6.496 -16.507
101 HA LEU 14 HA LEU 14 11.523 6.712 -19.202
102 HB2 LEU 14 HB1 LEU 14 11.589 4.617 -17.856
103 HB3 LEU 14 HB2 LEU 14 9.796 4.591 -17.808
104 HG LEU 14 HG LEU 14 9.758 4.310 -20.314
105 HD11 LEU 14 HD11 LEU 14 12.830 4.112 -20.051
106 HD12 LEU 14 HD12 LEU 14 11.907 5.373 -20.954
107 HD13 LEU 14 HD13 LEU 14 11.870 3.669 -21.507
108 HD21 LEU 14 HD21 LEU 14 10.527 1.959 -20.345
109 HD22 LEU 14 HD22 LEU 14 9.656 2.327 -18.811
110 HD23 LEU 14 HD23 LEU 14 11.470 2.219 -18.835
111 H LYS 15 HN LYS 15 8.147 6.505 -17.851
112 HA LYS 15 HA LYS 15 7.177 6.733 -20.622
113 HB2 LYS 15 HB1 LYS 15 6.780 4.646 -19.391
114 HB3 LYS 15 HB2 LYS 15 5.989 5.551 -18.075
115 HG2 LYS 15 HG1 LYS 15 4.397 4.328 -19.401
116 HG3 LYS 15 HG2 LYS 15 4.043 6.060 -19.503
117 HD2 LYS 15 HD1 LYS 15 5.671 4.585 -21.699
118 HD3 LYS 15 HD2 LYS 15 3.904 4.394 -21.605
119 HE2 LYS 15 HE1 LYS 15 5.413 7.002 -22.242
120 HE3 LYS 15 HE2 LYS 15 4.309 6.055 -23.307
121 HZ1 LYS 15 HZ1 LYS 15 2.518 6.542 -21.648
122 HZ2 LYS 15 HZ2 LYS 15 3.145 7.923 -22.387
123 HZ3 LYS 15 HZ3 LYS 15 3.664 7.534 -20.837
124 H GLY 16 HN GLY 16 7.394 8.818 -17.918
125 HA2 GLY 16 HA1 GLY 16 5.136 10.427 -19.008
126 HA3 GLY 16 HA2 GLY 16 5.805 10.503 -17.342
127 H ALA 17 HN ALA 17 8.588 10.237 -18.495
128 HA ALA 17 HA ALA 17 8.836 12.978 -19.580
129 HB1 ALA 17 HB1 ALA 17 10.809 11.376 -17.844
130 HB2 ALA 17 HB2 ALA 17 11.084 13.030 -18.518
131 HB3 ALA 17 HB3 ALA 17 9.784 12.752 -17.307
132 H ALA 18 HN ALA 18 11.035 10.077 -19.595
133 HA ALA 18 HA ALA 18 12.409 11.048 -21.719
134 HB1 ALA 18 HB1 ALA 18 12.151 8.115 -20.847
135 HB2 ALA 18 HB2 ALA 18 13.519 8.825 -21.791
136 HB3 ALA 18 HB3 ALA 18 13.231 9.344 -20.092
137 H LYS 19 HN LYS 19 9.825 8.493 -22.070
138 HA LYS 19 HA LYS 19 10.233 8.283 -24.853
139 HB2 LYS 19 HB1 LYS 19 8.987 6.618 -23.528
140 HB3 LYS 19 HB2 LYS 19 7.643 7.778 -23.285
141 HG2 LYS 19 HG1 LYS 19 8.577 7.005 -26.115
142 HG3 LYS 19 HG2 LYS 19 7.535 5.885 -25.194
143 HD2 LYS 19 HD1 LYS 19 5.634 7.117 -25.559
144 HD3 LYS 19 HD2 LYS 19 6.471 8.619 -25.087
145 HE2 LYS 19 HE1 LYS 19 7.508 8.733 -27.433
146 HE3 LYS 19 HE2 LYS 19 6.409 7.385 -27.908
147 HZ1 LYS 19 HZ1 LYS 19 5.800 9.996 -28.028
148 HZ2 LYS 19 HZ2 LYS 19 5.126 9.646 -26.547
149 HZ3 LYS 19 HZ3 LYS 19 4.682 8.775 -27.958
150 H GLU 20 HN GLU 20 8.083 10.559 -23.039
151 HA GLU 20 HA GLU 20 6.957 11.553 -25.451
152 HB2 GLU 20 HB1 GLU 20 6.837 12.888 -22.725
153 HB3 GLU 20 HB2 GLU 20 5.782 13.156 -24.152
154 HG2 GLU 20 HG1 GLU 20 5.885 10.706 -22.295
155 HG3 GLU 20 HG2 GLU 20 4.504 11.805 -22.619
156 H LEU 21 HN LEU 21 9.652 12.633 -23.404
157 HA LEU 21 HA LEU 21 10.308 14.967 -24.806
158 HB2 LEU 21 HB1 LEU 21 11.125 14.216 -22.566
159 HB3 LEU 21 HB2 LEU 21 12.117 12.948 -23.334
160 HG LEU 21 HG LEU 21 12.492 15.891 -24.099
161 HD11 LEU 21 HD11 LEU 21 13.687 14.526 -21.603
162 HD12 LEU 21 HD12 LEU 21 12.460 15.853 -21.609
163 HD13 LEU 21 HD13 LEU 21 14.124 16.160 -22.231
164 HD21 LEU 21 HD21 LEU 21 13.833 14.237 -25.408
165 HD22 LEU 21 HD22 LEU 21 14.454 13.507 -23.879
166 HD23 LEU 21 HD23 LEU 21 14.905 15.192 -24.334
167 H ALA 22 HN ALA 22 11.242 11.552 -25.441
168 HA ALA 22 HA ALA 22 12.756 12.350 -27.788
169 HB1 ALA 22 HB1 ALA 22 13.383 9.943 -27.832
170 HB2 ALA 22 HB2 ALA 22 13.587 10.612 -26.173
171 HB3 ALA 22 HB3 ALA 22 12.151 9.598 -26.554
172 H SER 23 HN SER 23 9.582 12.361 -27.493
173 HA SER 23 HA SER 23 8.554 10.301 -28.998
174 HB2 SER 23 HB1 SER 23 7.247 11.884 -27.508
175 HB3 SER 23 HB2 SER 23 7.248 13.079 -28.838
176 HG SER 23 HG1 SER 23 6.021 11.659 -30.037
177 H THR 24 HN THR 24 9.813 13.394 -30.252
178 HA THR 24 HA THR 24 8.905 13.259 -32.843
179 HB THR 24 HB THR 24 11.719 14.146 -32.031
180 HG1 THR 24 HG1 THR 24 10.699 16.115 -31.589
181 HG21 THR 24 HG21 THR 24 11.131 14.248 -34.506
182 HG22 THR 24 HG22 THR 24 11.289 15.892 -33.800
183 HG23 THR 24 HG23 THR 24 9.654 15.195 -34.101
184 H TYR 25 HN TYR 25 11.655 11.517 -31.351
185 HA TYR 25 HA TYR 25 12.457 10.524 -34.014
186 HB2 TYR 25 HB1 TYR 25 13.967 10.386 -31.329
187 HB3 TYR 25 HB2 TYR 25 14.642 10.076 -32.977
188 HD1 TYR 25 HD1 TYR 25 14.273 12.096 -34.693
189 HD2 TYR 25 HD2 TYR 25 14.257 12.503 -30.415
190 HE1 TYR 25 HE1 TYR 25 14.708 14.518 -34.925
191 HE2 TYR 25 HE2 TYR 25 14.691 14.937 -30.651
192 HH TYR 25 HH TYR 25 15.091 16.462 -33.845
193 H LEU 26 HN LEU 26 11.111 9.426 -30.952
194 HA LEU 26 HA LEU 26 11.489 6.603 -31.781
195 HB2 LEU 26 HB1 LEU 26 11.133 8.038 -29.105
196 HB3 LEU 26 HB2 LEU 26 10.724 6.301 -29.244
197 HG LEU 26 HG LEU 26 12.917 6.633 -28.273
198 HD11 LEU 26 HD11 LEU 26 14.136 4.948 -29.602
199 HD12 LEU 26 HD12 LEU 26 13.101 5.277 -31.035
200 HD13 LEU 26 HD13 LEU 26 12.376 4.544 -29.555
201 HD21 LEU 26 HD21 LEU 26 13.626 8.714 -29.559
202 HD22 LEU 26 HD22 LEU 26 13.943 7.653 -30.984
203 HD23 LEU 26 HD23 LEU 26 14.882 7.415 -29.471
204 H HIS 27 HN HIS 27 9.200 8.845 -32.313
205 HA HIS 27 HA HIS 27 7.162 6.840 -32.590
206 HB2 HIS 27 HB1 HIS 27 6.948 7.441 -30.130
207 HB3 HIS 27 HB2 HIS 27 6.652 9.147 -30.602
208 HD2 HIS 27 HD2 HIS 27 4.515 6.964 -32.953
209 HE1 HIS 27 HE1 HIS 27 2.189 7.763 -29.506
210 HE2 HIS 27 HE2 HIS 27 2.173 6.922 -31.916
Start of MODEL 12
1 H1 GLY 1 HN GLY 1 1.428 -0.198 0.384
2 HA2 GLY 1 HA1 GLY 1 1.228 1.733 -1.213
3 HA3 GLY 1 HA2 GLY 1 1.892 2.187 0.410
4 H ILE 2 HN ILE 2 4.292 0.549 -0.402
5 HA ILE 2 HA ILE 2 5.962 2.684 -0.975
6 HB ILE 2 HB ILE 2 6.668 0.711 0.236
7 HG12 ILE 2 HG11 ILE 2 8.430 1.182 -2.244
8 HG13 ILE 2 HG12 ILE 2 8.296 2.308 -0.854
9 HG21 ILE 2 HG21 ILE 2 7.227 -1.408 -0.880
10 HG22 ILE 2 HG22 ILE 2 5.506 -1.033 -1.199
11 HG23 ILE 2 HG23 ILE 2 6.752 -0.762 -2.484
12 HD11 ILE 2 HD1 ILE 2 9.119 0.478 0.694
13 HD12 ILE 2 HD2 ILE 2 9.327 -0.608 -0.726
14 HD13 ILE 2 HD3 ILE 2 10.311 0.889 -0.591
15 H GLY 3 HN GLY 3 4.583 0.372 -3.269
16 HA2 GLY 3 HA1 GLY 3 6.029 1.041 -5.571
17 HA3 GLY 3 HA2 GLY 3 4.324 0.479 -5.510
18 H GLY 4 HN GLY 4 3.421 2.829 -3.990
19 HA2 GLY 4 HA1 GLY 4 2.892 4.562 -6.226
20 HA3 GLY 4 HA2 GLY 4 2.275 4.673 -4.541
21 H LYS 5 HN LYS 5 5.489 4.490 -4.069
22 HA LYS 5 HA LYS 5 5.982 7.315 -4.823
23 HB2 LYS 5 HB1 LYS 5 7.120 7.838 -2.805
24 HB3 LYS 5 HB2 LYS 5 5.482 7.226 -2.453
25 HG2 LYS 5 HG1 LYS 5 6.591 6.094 -0.785
26 HG3 LYS 5 HG2 LYS 5 6.643 4.892 -2.082
27 HD2 LYS 5 HD1 LYS 5 8.811 4.761 -1.377
28 HD3 LYS 5 HD2 LYS 5 9.053 6.000 -2.630
29 HE2 LYS 5 HE1 LYS 5 8.724 6.463 0.431
30 HE3 LYS 5 HE2 LYS 5 10.279 6.511 -0.488
31 HZ1 LYS 5 HZ1 LYS 5 9.395 8.714 -0.084
32 HZ2 LYS 5 HZ2 LYS 5 7.954 8.320 -0.888
33 HZ3 LYS 5 HZ3 LYS 5 9.412 8.376 -1.749
34 H ILE 6 HN ILE 6 7.339 4.014 -4.784
35 HA ILE 6 HA ILE 6 9.815 5.115 -5.843
36 HB ILE 6 HB ILE 6 10.667 2.936 -6.115
37 HG12 ILE 6 HG11 ILE 6 7.952 1.884 -5.120
38 HG13 ILE 6 HG12 ILE 6 8.612 1.680 -6.779
39 HG21 ILE 6 HG21 ILE 6 10.819 2.425 -3.712
40 HG22 ILE 6 HG22 ILE 6 10.732 4.207 -3.924
41 HG23 ILE 6 HG23 ILE 6 9.274 3.284 -3.381
42 HD11 ILE 6 HD1 ILE 6 8.979 -0.392 -5.522
43 HD12 ILE 6 HD2 ILE 6 10.572 0.391 -5.822
44 HD13 ILE 6 HD3 ILE 6 9.806 0.488 -4.194
45 H LEU 7 HN LEU 7 6.930 3.438 -7.336
46 HA LEU 7 HA LEU 7 8.247 3.427 -9.884
47 HB2 LEU 7 HB1 LEU 7 5.301 2.981 -9.179
48 HB3 LEU 7 HB2 LEU 7 6.048 2.651 -10.771
49 HG LEU 7 HG LEU 7 6.770 1.249 -8.130
50 HD11 LEU 7 HD11 LEU 7 5.609 -0.721 -9.110
51 HD12 LEU 7 HD12 LEU 7 5.154 0.253 -10.558
52 HD13 LEU 7 HD13 LEU 7 4.491 0.682 -8.940
53 HD21 LEU 7 HD21 LEU 7 7.708 0.690 -11.019
54 HD22 LEU 7 HD22 LEU 7 8.018 -0.370 -9.594
55 HD23 LEU 7 HD23 LEU 7 8.742 1.274 -9.652
56 H SER 8 HN SER 8 6.215 5.644 -8.149
57 HA SER 8 HA SER 8 5.436 7.320 -10.216
58 HB2 SER 8 HB1 SER 8 5.979 8.042 -7.282
59 HB3 SER 8 HB2 SER 8 4.917 8.943 -8.435
60 HG SER 8 HG1 SER 8 3.887 7.323 -6.971
61 H GLY 9 HN GLY 9 8.604 6.909 -8.866
62 HA2 GLY 9 HA1 GLY 9 9.472 9.262 -10.486
63 HA3 GLY 9 HA2 GLY 9 10.463 8.380 -9.277
64 H LEU 10 HN LEU 10 10.114 5.755 -9.928
65 HA LEU 10 HA LEU 10 12.018 5.525 -11.905
66 HB2 LEU 10 HB1 LEU 10 11.594 4.097 -9.904
67 HB3 LEU 10 HB2 LEU 10 10.212 3.331 -10.724
68 HG LEU 10 HG LEU 10 13.024 3.295 -11.958
69 HD11 LEU 10 HD11 LEU 10 13.291 2.571 -9.596
70 HD12 LEU 10 HD12 LEU 10 13.506 1.183 -10.718
71 HD13 LEU 10 HD13 LEU 10 11.967 1.365 -9.794
72 HD21 LEU 10 HD21 LEU 10 12.286 1.049 -12.813
73 HD22 LEU 10 HD22 LEU 10 11.208 2.375 -13.399
74 HD23 LEU 10 HD23 LEU 10 10.670 1.294 -12.039
75 H LYS 11 HN LYS 11 8.476 4.881 -12.299
76 HA LYS 11 HA LYS 11 9.038 4.187 -15.123
77 HB2 LYS 11 HB1 LYS 11 6.715 3.639 -13.236
78 HB3 LYS 11 HB2 LYS 11 6.495 3.524 -15.007
79 HG2 LYS 11 HG1 LYS 11 8.697 1.977 -13.530
80 HG3 LYS 11 HG2 LYS 11 7.040 1.332 -13.782
81 HD2 LYS 11 HD1 LYS 11 7.207 1.512 -16.201
82 HD3 LYS 11 HD2 LYS 11 8.804 2.291 -16.135
83 HE2 LYS 11 HE1 LYS 11 8.243 -0.589 -15.125
84 HE3 LYS 11 HE2 LYS 11 8.814 -0.185 -16.792
85 HZ1 LYS 11 HZ1 LYS 11 10.635 -0.754 -15.327
86 HZ2 LYS 11 HZ2 LYS 11 10.236 0.515 -14.272
87 HZ3 LYS 11 HZ3 LYS 11 10.755 0.854 -15.846
88 H THR 12 HN THR 12 7.624 6.718 -13.098
89 HA THR 12 HA THR 12 6.425 8.187 -15.154
90 HB THR 12 HB THR 12 7.935 9.284 -12.742
91 HG1 THR 12 HG1 THR 12 6.055 9.107 -11.742
92 HG21 THR 12 HG21 THR 12 7.301 11.066 -14.442
93 HG22 THR 12 HG22 THR 12 6.262 11.171 -12.982
94 HG23 THR 12 HG23 THR 12 5.619 10.411 -14.481
95 H ALA 13 HN ALA 13 9.908 8.099 -14.089
96 HA ALA 13 HA ALA 13 10.798 9.963 -15.961
97 HB1 ALA 13 HB1 ALA 13 12.166 9.074 -14.069
98 HB2 ALA 13 HB2 ALA 13 12.186 7.450 -14.837
99 HB3 ALA 13 HB3 ALA 13 13.022 8.840 -15.634
100 H LEU 14 HN LEU 14 10.395 6.399 -16.360
101 HA LEU 14 HA LEU 14 11.417 6.417 -19.009
102 HB2 LEU 14 HB1 LEU 14 11.460 4.477 -17.425
103 HB3 LEU 14 HB2 LEU 14 9.676 4.362 -17.537
104 HG LEU 14 HG LEU 14 9.902 3.839 -20.006
105 HD11 LEU 14 HD11 LEU 14 12.933 3.810 -19.409
106 HD12 LEU 14 HD12 LEU 14 12.067 4.930 -20.527
107 HD13 LEU 14 HD13 LEU 14 12.151 3.181 -20.905
108 HD21 LEU 14 HD21 LEU 14 11.516 1.995 -18.139
109 HD22 LEU 14 HD22 LEU 14 10.774 1.534 -19.715
110 HD23 LEU 14 HD23 LEU 14 9.706 2.007 -18.341
111 H LYS 15 HN LYS 15 7.956 6.196 -17.886
112 HA LYS 15 HA LYS 15 7.180 6.400 -20.735
113 HB2 LYS 15 HB1 LYS 15 6.591 4.224 -19.718
114 HB3 LYS 15 HB2 LYS 15 5.920 5.066 -18.296
115 HG2 LYS 15 HG1 LYS 15 4.074 4.205 -19.404
116 HG3 LYS 15 HG2 LYS 15 3.989 5.930 -19.700
117 HD2 LYS 15 HD1 LYS 15 4.537 3.607 -21.574
118 HD3 LYS 15 HD2 LYS 15 3.283 4.865 -21.706
119 HE2 LYS 15 HE1 LYS 15 6.296 5.200 -22.313
120 HE3 LYS 15 HE2 LYS 15 5.014 4.882 -23.518
121 HZ1 LYS 15 HZ1 LYS 15 4.190 7.129 -23.279
122 HZ2 LYS 15 HZ2 LYS 15 5.851 7.077 -23.343
123 HZ3 LYS 15 HZ3 LYS 15 5.067 7.443 -21.914
124 H GLY 16 HN GLY 16 7.466 8.387 -18.126
125 HA2 GLY 16 HA1 GLY 16 5.233 10.080 -19.122
126 HA3 GLY 16 HA2 GLY 16 6.157 10.297 -17.589
127 H ALA 17 HN ALA 17 8.445 10.835 -17.765
128 HA ALA 17 HA ALA 17 8.700 12.990 -19.543
129 HB1 ALA 17 HB1 ALA 17 10.841 11.586 -17.838
130 HB2 ALA 17 HB2 ALA 17 10.966 13.248 -18.531
131 HB3 ALA 17 HB3 ALA 17 9.731 12.890 -17.272
132 H ALA 18 HN ALA 18 10.614 9.859 -19.673
133 HA ALA 18 HA ALA 18 12.236 10.861 -21.680
134 HB1 ALA 18 HB1 ALA 18 11.644 7.927 -20.991
135 HB2 ALA 18 HB2 ALA 18 13.090 8.538 -21.886
136 HB3 ALA 18 HB3 ALA 18 12.841 8.985 -20.160
137 H LYS 19 HN LYS 19 9.458 8.580 -22.190
138 HA LYS 19 HA LYS 19 9.932 8.484 -24.977
139 HB2 LYS 19 HB1 LYS 19 8.510 6.936 -23.362
140 HB3 LYS 19 HB2 LYS 19 7.153 7.970 -23.884
141 HG2 LYS 19 HG1 LYS 19 9.060 6.271 -25.643
142 HG3 LYS 19 HG2 LYS 19 7.393 5.824 -25.196
143 HD2 LYS 19 HD1 LYS 19 8.259 8.099 -27.086
144 HD3 LYS 19 HD2 LYS 19 7.574 6.539 -27.543
145 HE2 LYS 19 HE1 LYS 19 5.429 7.240 -27.351
146 HE3 LYS 19 HE2 LYS 19 5.708 7.814 -25.669
147 HZ1 LYS 19 HZ1 LYS 19 5.307 9.762 -26.577
148 HZ2 LYS 19 HZ2 LYS 19 5.698 9.318 -28.157
149 HZ3 LYS 19 HZ3 LYS 19 6.908 9.752 -27.043
150 H GLU 20 HN GLU 20 7.757 10.664 -23.057
151 HA GLU 20 HA GLU 20 6.698 11.784 -25.451
152 HB2 GLU 20 HB1 GLU 20 6.427 12.433 -22.519
153 HB3 GLU 20 HB2 GLU 20 5.719 13.483 -23.788
154 HG2 GLU 20 HG1 GLU 20 4.063 11.848 -22.859
155 HG3 GLU 20 HG2 GLU 20 4.277 11.684 -24.637
156 H LEU 21 HN LEU 21 9.405 12.821 -23.291
157 HA LEU 21 HA LEU 21 9.936 15.200 -24.709
158 HB2 LEU 21 HB1 LEU 21 10.775 14.617 -22.449
159 HB3 LEU 21 HB2 LEU 21 11.845 13.369 -23.138
160 HG LEU 21 HG LEU 21 12.064 16.267 -24.098
161 HD11 LEU 21 HD11 LEU 21 13.616 16.790 -22.215
162 HD12 LEU 21 HD12 LEU 21 13.255 15.189 -21.465
163 HD13 LEU 21 HD13 LEU 21 11.953 16.431 -21.617
164 HD21 LEU 21 HD21 LEU 21 14.162 14.042 -23.619
165 HD22 LEU 21 HD22 LEU 21 14.519 15.706 -24.215
166 HD23 LEU 21 HD23 LEU 21 13.542 14.588 -25.223
167 H ALA 22 HN ALA 22 11.098 11.831 -25.255
168 HA ALA 22 HA ALA 22 12.650 12.708 -27.539
169 HB1 ALA 22 HB1 ALA 22 13.401 10.345 -27.590
170 HB2 ALA 22 HB2 ALA 22 13.499 10.994 -25.912
171 HB3 ALA 22 HB3 ALA 22 12.138 9.912 -26.372
172 H SER 23 HN SER 23 9.530 12.750 -27.488
173 HA SER 23 HA SER 23 8.635 10.595 -29.029
174 HB2 SER 23 HB1 SER 23 7.246 12.142 -27.514
175 HB3 SER 23 HB2 SER 23 7.173 13.294 -28.879
176 HG SER 23 HG1 SER 23 6.130 11.668 -30.071
177 H THR 24 HN THR 24 10.172 13.536 -30.141
178 HA THR 24 HA THR 24 9.316 13.598 -32.768
179 HB THR 24 HB THR 24 12.213 14.044 -31.910
180 HG1 THR 24 HG1 THR 24 11.474 16.148 -31.434
181 HG21 THR 24 HG21 THR 24 12.048 15.880 -33.625
182 HG22 THR 24 HG22 THR 24 10.316 15.467 -33.919
183 HG23 THR 24 HG23 THR 24 11.616 14.307 -34.377
184 H TYR 25 HN TYR 25 11.646 11.397 -31.201
185 HA TYR 25 HA TYR 25 12.175 10.147 -33.855
186 HB2 TYR 25 HB1 TYR 25 14.085 10.334 -31.441
187 HB3 TYR 25 HB2 TYR 25 14.476 9.692 -33.085
188 HD1 TYR 25 HD1 TYR 25 13.798 11.487 -35.048
189 HD2 TYR 25 HD2 TYR 25 14.862 12.457 -30.998
190 HE1 TYR 25 HE1 TYR 25 14.420 13.768 -35.760
191 HE2 TYR 25 HE2 TYR 25 15.484 14.751 -31.718
192 HH TYR 25 HH TYR 25 15.249 15.768 -35.122
193 H LEU 26 HN LEU 26 11.401 9.519 -30.431
194 HA LEU 26 HA LEU 26 11.749 6.627 -30.891
195 HB2 LEU 26 HB1 LEU 26 11.709 8.436 -28.428
196 HB3 LEU 26 HB2 LEU 26 11.433 6.679 -28.259
197 HG LEU 26 HG LEU 26 13.703 7.255 -27.714
198 HD11 LEU 26 HD11 LEU 26 13.590 5.563 -30.287
199 HD12 LEU 26 HD12 LEU 26 13.147 4.990 -28.635
200 HD13 LEU 26 HD13 LEU 26 14.842 5.489 -29.001
201 HD21 LEU 26 HD21 LEU 26 15.403 7.975 -29.301
202 HD22 LEU 26 HD22 LEU 26 14.067 9.191 -29.313
203 HD23 LEU 26 HD23 LEU 26 14.221 7.988 -30.652
204 H HIS 27 HN HIS 27 9.301 8.413 -31.676
205 HA HIS 27 HA HIS 27 7.236 7.111 -30.048
206 HB2 HIS 27 HB1 HIS 27 7.058 9.516 -30.748
207 HB3 HIS 27 HB2 HIS 27 6.844 8.976 -32.446
208 HD2 HIS 27 HD2 HIS 27 4.147 8.474 -33.009
209 HE1 HIS 27 HE1 HIS 27 2.828 8.386 -28.980
210 HE2 HIS 27 HE2 HIS 27 2.114 8.326 -31.429
Start of MODEL 13
1 H1 GLY 1 HN GLY 1 1.423 -0.196 0.327
2 HA2 GLY 1 HA1 GLY 1 1.171 1.688 -1.300
3 HA3 GLY 1 HA2 GLY 1 1.724 2.226 0.339
4 H ILE 2 HN ILE 2 4.256 0.702 -0.392
5 HA ILE 2 HA ILE 2 5.828 2.928 -0.933
6 HB ILE 2 HB ILE 2 6.621 1.009 0.305
7 HG12 ILE 2 HG11 ILE 2 8.390 1.497 -2.165
8 HG13 ILE 2 HG12 ILE 2 8.189 2.660 -0.815
9 HG21 ILE 2 HG21 ILE 2 6.797 -0.503 -2.388
10 HG22 ILE 2 HG22 ILE 2 7.288 -1.100 -0.772
11 HG23 ILE 2 HG23 ILE 2 5.555 -0.811 -1.108
12 HD11 ILE 2 HD1 ILE 2 9.072 0.913 0.801
13 HD12 ILE 2 HD2 ILE 2 9.342 -0.202 -0.583
14 HD13 ILE 2 HD3 ILE 2 10.262 1.335 -0.484
15 H GLY 3 HN GLY 3 4.626 0.525 -3.208
16 HA2 GLY 3 HA1 GLY 3 6.052 1.206 -5.513
17 HA3 GLY 3 HA2 GLY 3 4.385 0.545 -5.443
18 H GLY 4 HN GLY 4 3.363 2.905 -3.988
19 HA2 GLY 4 HA1 GLY 4 2.667 4.473 -6.290
20 HA3 GLY 4 HA2 GLY 4 2.105 4.653 -4.592
21 H LYS 5 HN LYS 5 5.344 4.682 -4.268
22 HA LYS 5 HA LYS 5 5.665 7.431 -5.311
23 HB2 LYS 5 HB1 LYS 5 6.831 8.256 -3.391
24 HB3 LYS 5 HB2 LYS 5 5.194 7.694 -2.983
25 HG2 LYS 5 HG1 LYS 5 6.284 6.929 -1.177
26 HG3 LYS 5 HG2 LYS 5 6.385 5.454 -2.180
27 HD2 LYS 5 HD1 LYS 5 8.723 5.982 -2.796
28 HD3 LYS 5 HD2 LYS 5 8.622 7.602 -2.066
29 HE2 LYS 5 HE1 LYS 5 8.442 4.944 -0.475
30 HE3 LYS 5 HE2 LYS 5 9.940 5.937 -0.675
31 HZ1 LYS 5 HZ1 LYS 5 8.818 6.419 1.401
32 HZ2 LYS 5 HZ2 LYS 5 7.400 6.859 0.582
33 HZ3 LYS 5 HZ3 LYS 5 8.807 7.778 0.392
34 H ILE 6 HN ILE 6 7.310 4.269 -4.676
35 HA ILE 6 HA ILE 6 9.688 5.319 -5.880
36 HB ILE 6 HB ILE 6 10.603 3.149 -6.008
37 HG12 ILE 6 HG11 ILE 6 7.909 2.082 -4.980
38 HG13 ILE 6 HG12 ILE 6 8.566 1.822 -6.633
39 HG21 ILE 6 HG21 ILE 6 10.717 2.780 -3.578
40 HG22 ILE 6 HG22 ILE 6 10.599 4.544 -3.899
41 HG23 ILE 6 HG23 ILE 6 9.147 3.626 -3.326
42 HD11 ILE 6 HD1 ILE 6 9.812 0.780 -4.005
43 HD12 ILE 6 HD2 ILE 6 8.992 -0.182 -5.280
44 HD13 ILE 6 HD3 ILE 6 10.561 0.625 -5.636
45 H LEU 7 HN LEU 7 6.865 3.543 -7.345
46 HA LEU 7 HA LEU 7 8.230 3.458 -9.877
47 HB2 LEU 7 HB1 LEU 7 5.285 2.982 -9.191
48 HB3 LEU 7 HB2 LEU 7 6.050 2.626 -10.767
49 HG LEU 7 HG LEU 7 6.781 1.303 -8.088
50 HD11 LEU 7 HD11 LEU 7 5.175 0.222 -10.487
51 HD12 LEU 7 HD12 LEU 7 4.510 0.685 -8.879
52 HD13 LEU 7 HD13 LEU 7 5.644 -0.709 -9.014
53 HD21 LEU 7 HD21 LEU 7 8.750 1.316 -9.613
54 HD22 LEU 7 HD22 LEU 7 7.723 0.674 -10.961
55 HD23 LEU 7 HD23 LEU 7 8.052 -0.337 -9.502
56 H SER 8 HN SER 8 6.127 5.716 -8.235
57 HA SER 8 HA SER 8 5.326 7.235 -10.430
58 HB2 SER 8 HB1 SER 8 5.724 8.155 -7.529
59 HB3 SER 8 HB2 SER 8 4.642 8.908 -8.766
60 HG SER 8 HG1 SER 8 3.658 7.330 -7.231
61 H GLY 9 HN GLY 9 8.425 7.095 -8.843
62 HA2 GLY 9 HA1 GLY 9 9.292 9.411 -10.509
63 HA3 GLY 9 HA2 GLY 9 10.242 8.576 -9.236
64 H LEU 10 HN LEU 10 10.022 5.909 -9.909
65 HA LEU 10 HA LEU 10 12.004 5.795 -11.850
66 HB2 LEU 10 HB1 LEU 10 11.700 4.313 -9.902
67 HB3 LEU 10 HB2 LEU 10 10.292 3.535 -10.661
68 HG LEU 10 HG LEU 10 13.013 3.554 -12.076
69 HD11 LEU 10 HD11 LEU 10 13.492 2.869 -9.739
70 HD12 LEU 10 HD12 LEU 10 13.657 1.473 -10.859
71 HD13 LEU 10 HD13 LEU 10 12.193 1.622 -9.813
72 HD21 LEU 10 HD21 LEU 10 11.115 2.558 -13.361
73 HD22 LEU 10 HD22 LEU 10 10.722 1.484 -11.948
74 HD23 LEU 10 HD23 LEU 10 12.277 1.279 -12.852
75 H LYS 11 HN LYS 11 8.510 4.867 -12.292
76 HA LYS 11 HA LYS 11 9.133 4.044 -15.029
77 HB2 LYS 11 HB1 LYS 11 6.618 4.004 -13.307
78 HB3 LYS 11 HB2 LYS 11 6.538 3.692 -15.064
79 HG2 LYS 11 HG1 LYS 11 8.382 2.086 -13.205
80 HG3 LYS 11 HG2 LYS 11 6.677 1.633 -13.539
81 HD2 LYS 11 HD1 LYS 11 7.078 1.536 -15.958
82 HD3 LYS 11 HD2 LYS 11 8.781 2.015 -15.775
83 HE2 LYS 11 HE1 LYS 11 7.551 -0.579 -14.586
84 HE3 LYS 11 HE2 LYS 11 8.381 -0.482 -16.189
85 HZ1 LYS 11 HZ1 LYS 11 9.859 -1.216 -14.431
86 HZ2 LYS 11 HZ2 LYS 11 9.614 0.231 -13.575
87 HZ3 LYS 11 HZ3 LYS 11 10.371 0.258 -15.090
88 H THR 12 HN THR 12 7.781 6.837 -13.324
89 HA THR 12 HA THR 12 6.877 8.244 -15.557
90 HB THR 12 HB THR 12 8.199 9.382 -13.052
91 HG1 THR 12 HG1 THR 12 6.266 9.219 -12.184
92 HG21 THR 12 HG21 THR 12 6.100 10.515 -15.046
93 HG22 THR 12 HG22 THR 12 7.802 11.096 -14.896
94 HG23 THR 12 HG23 THR 12 6.648 11.321 -13.537
95 H ALA 13 HN ALA 13 10.217 8.214 -14.057
96 HA ALA 13 HA ALA 13 11.349 9.786 -16.100
97 HB1 ALA 13 HB1 ALA 13 13.512 8.887 -15.204
98 HB2 ALA 13 HB2 ALA 13 12.406 9.380 -13.873
99 HB3 ALA 13 HB3 ALA 13 12.595 7.638 -14.275
100 H LEU 14 HN LEU 14 11.129 6.199 -15.779
101 HA LEU 14 HA LEU 14 12.631 5.636 -18.035
102 HB2 LEU 14 HB1 LEU 14 12.048 4.071 -16.145
103 HB3 LEU 14 HB2 LEU 14 10.387 3.948 -16.808
104 HG LEU 14 HG LEU 14 11.379 2.958 -18.935
105 HD11 LEU 14 HD11 LEU 14 13.737 2.092 -18.859
106 HD12 LEU 14 HD12 LEU 14 14.012 2.988 -17.320
107 HD13 LEU 14 HD13 LEU 14 13.678 3.883 -18.848
108 HD21 LEU 14 HD21 LEU 14 12.086 1.504 -16.313
109 HD22 LEU 14 HD22 LEU 14 11.922 0.738 -17.939
110 HD23 LEU 14 HD23 LEU 14 10.473 1.489 -17.165
111 H LYS 15 HN LYS 15 9.044 6.093 -17.919
112 HA LYS 15 HA LYS 15 9.202 6.128 -20.869
113 HB2 LYS 15 HB1 LYS 15 8.563 3.824 -20.039
114 HB3 LYS 15 HB2 LYS 15 7.080 4.545 -19.353
115 HG2 LYS 15 HG1 LYS 15 6.601 3.424 -21.448
116 HG3 LYS 15 HG2 LYS 15 6.321 5.168 -21.684
117 HD2 LYS 15 HD1 LYS 15 9.047 4.011 -22.455
118 HD3 LYS 15 HD2 LYS 15 7.626 3.568 -23.459
119 HE2 LYS 15 HE1 LYS 15 7.102 5.973 -23.902
120 HE3 LYS 15 HE2 LYS 15 8.500 6.463 -22.875
121 HZ1 LYS 15 HZ1 LYS 15 9.219 6.604 -24.991
122 HZ2 LYS 15 HZ2 LYS 15 8.572 5.132 -25.526
123 HZ3 LYS 15 HZ3 LYS 15 9.915 5.161 -24.474
124 H GLY 16 HN GLY 16 7.427 7.408 -18.013
125 HA2 GLY 16 HA1 GLY 16 5.641 9.027 -19.492
126 HA3 GLY 16 HA2 GLY 16 6.426 9.440 -17.929
127 H ALA 17 HN ALA 17 8.859 10.007 -18.289
128 HA ALA 17 HA ALA 17 9.033 12.365 -19.766
129 HB1 ALA 17 HB1 ALA 17 11.287 10.590 -18.638
130 HB2 ALA 17 HB2 ALA 17 11.441 12.329 -19.091
131 HB3 ALA 17 HB3 ALA 17 10.386 11.847 -17.713
132 H ALA 18 HN ALA 18 10.038 9.065 -20.589
133 HA ALA 18 HA ALA 18 11.210 9.945 -23.094
134 HB1 ALA 18 HB1 ALA 18 10.772 7.121 -21.959
135 HB2 ALA 18 HB2 ALA 18 11.802 7.562 -23.384
136 HB3 ALA 18 HB3 ALA 18 12.243 8.124 -21.737
137 H LYS 19 HN LYS 19 8.023 9.838 -22.317
138 HA LYS 19 HA LYS 19 7.343 9.352 -25.163
139 HB2 LYS 19 HB1 LYS 19 5.688 10.246 -22.714
140 HB3 LYS 19 HB2 LYS 19 5.091 10.363 -24.397
141 HG2 LYS 19 HG1 LYS 19 4.951 7.973 -24.630
142 HG3 LYS 19 HG2 LYS 19 5.895 7.713 -23.122
143 HD2 LYS 19 HD1 LYS 19 3.553 7.280 -22.684
144 HD3 LYS 19 HD2 LYS 19 4.102 8.685 -21.728
145 HE2 LYS 19 HE1 LYS 19 2.567 9.022 -24.402
146 HE3 LYS 19 HE2 LYS 19 1.726 8.715 -22.837
147 HZ1 LYS 19 HZ1 LYS 19 3.033 10.780 -22.009
148 HZ2 LYS 19 HZ2 LYS 19 1.775 11.052 -23.096
149 HZ3 LYS 19 HZ3 LYS 19 3.380 11.112 -23.508
150 H GLU 20 HN GLU 20 7.003 11.837 -22.572
151 HA GLU 20 HA GLU 20 6.343 13.850 -24.257
152 HB2 GLU 20 HB1 GLU 20 7.299 13.632 -21.400
153 HB3 GLU 20 HB2 GLU 20 7.054 15.261 -22.108
154 HG2 GLU 20 HG1 GLU 20 5.058 14.364 -20.795
155 HG3 GLU 20 HG2 GLU 20 4.715 14.949 -22.460
156 H LEU 21 HN LEU 21 9.690 13.111 -23.192
157 HA LEU 21 HA LEU 21 10.624 15.353 -24.860
158 HB2 LEU 21 HB1 LEU 21 11.346 14.328 -22.322
159 HB3 LEU 21 HB2 LEU 21 12.690 13.827 -23.378
160 HG LEU 21 HG LEU 21 11.595 16.694 -23.101
161 HD11 LEU 21 HD11 LEU 21 13.652 17.145 -21.761
162 HD12 LEU 21 HD12 LEU 21 14.125 15.408 -21.888
163 HD13 LEU 21 HD13 LEU 21 12.632 15.874 -20.982
164 HD21 LEU 21 HD21 LEU 21 12.714 16.364 -25.305
165 HD22 LEU 21 HD22 LEU 21 14.148 15.648 -24.490
166 HD23 LEU 21 HD23 LEU 21 13.735 17.386 -24.232
167 H ALA 22 HN ALA 22 9.897 12.119 -25.449
168 HA ALA 22 HA ALA 22 12.107 11.977 -27.433
169 HB1 ALA 22 HB1 ALA 22 12.672 9.685 -26.790
170 HB2 ALA 22 HB2 ALA 22 12.795 10.757 -25.352
171 HB3 ALA 22 HB3 ALA 22 11.359 9.680 -25.548
172 H SER 23 HN SER 23 8.808 11.956 -27.300
173 HA SER 23 HA SER 23 8.165 9.781 -28.951
174 HB2 SER 23 HB1 SER 23 6.756 12.506 -28.809
175 HB3 SER 23 HB2 SER 23 6.124 11.052 -29.662
176 HG SER 23 HG1 SER 23 6.613 11.374 -26.896
177 H THR 24 HN THR 24 9.316 13.057 -29.852
178 HA THR 24 HA THR 24 9.047 12.936 -32.556
179 HB THR 24 HB THR 24 11.513 14.091 -31.158
180 HG1 THR 24 HG1 THR 24 10.178 15.883 -30.787
181 HG21 THR 24 HG21 THR 24 11.326 14.322 -33.691
182 HG22 THR 24 HG22 THR 24 11.166 15.911 -32.865
183 HG23 THR 24 HG23 THR 24 9.699 15.066 -33.484
184 H TYR 25 HN TYR 25 11.638 11.476 -30.555
185 HA TYR 25 HA TYR 25 13.177 10.877 -32.982
186 HB2 TYR 25 HB1 TYR 25 13.952 10.512 -30.020
187 HB3 TYR 25 HB2 TYR 25 15.063 10.535 -31.445
188 HD1 TYR 25 HD1 TYR 25 14.729 12.755 -32.981
189 HD2 TYR 25 HD2 TYR 25 13.824 12.478 -28.787
190 HE1 TYR 25 HE1 TYR 25 14.838 15.216 -32.795
191 HE2 TYR 25 HE2 TYR 25 13.915 14.945 -28.606
192 HH TYR 25 HH TYR 25 14.713 16.994 -31.418
193 H LEU 26 HN LEU 26 11.049 9.209 -30.809
194 HA LEU 26 HA LEU 26 12.084 6.603 -31.810
195 HB2 LEU 26 HB1 LEU 26 10.636 7.435 -29.242
196 HB3 LEU 26 HB2 LEU 26 10.582 5.739 -29.817
197 HG LEU 26 HG LEU 26 12.204 5.969 -28.070
198 HD11 LEU 26 HD11 LEU 26 12.573 4.282 -29.901
199 HD12 LEU 26 HD12 LEU 26 14.115 4.831 -29.136
200 HD13 LEU 26 HD13 LEU 26 13.639 5.462 -30.748
201 HD21 LEU 26 HD21 LEU 26 13.923 7.788 -29.847
202 HD22 LEU 26 HD22 LEU 26 14.270 7.241 -28.174
203 HD23 LEU 26 HD23 LEU 26 12.900 8.384 -28.487
204 H HIS 27 HN HIS 27 9.800 8.826 -32.610
205 HA HIS 27 HA HIS 27 8.231 6.837 -33.977
206 HB2 HIS 27 HB1 HIS 27 7.123 6.851 -31.692
207 HB3 HIS 27 HB2 HIS 27 6.854 8.615 -31.860
208 HD2 HIS 27 HD2 HIS 27 5.926 6.883 -35.217
209 HE1 HIS 27 HE1 HIS 27 2.448 7.116 -32.804
210 HE2 HIS 27 HE2 HIS 27 3.364 6.656 -35.148
Start of MODEL 14
1 H1 GLY 1 HN GLY 1 0.363 0.877 -0.073
2 HA2 GLY 1 HA1 GLY 1 0.809 2.603 -1.838
3 HA3 GLY 1 HA2 GLY 1 0.889 3.256 -0.150
4 H ILE 2 HN ILE 2 3.316 1.743 0.365
5 HA ILE 2 HA ILE 2 5.194 3.731 -0.193
6 HB ILE 2 HB ILE 2 5.295 2.328 1.771
7 HG12 ILE 2 HG11 ILE 2 7.854 2.003 0.096
8 HG13 ILE 2 HG12 ILE 2 7.319 3.545 0.845
9 HG21 ILE 2 HG21 ILE 2 6.063 -0.007 1.714
10 HG22 ILE 2 HG22 ILE 2 4.596 0.134 0.702
11 HG23 ILE 2 HG23 ILE 2 6.229 0.024 -0.069
12 HD11 ILE 2 HD1 ILE 2 7.995 0.934 2.362
13 HD12 ILE 2 HD2 ILE 2 8.992 2.422 2.307
14 HD13 ILE 2 HD3 ILE 2 7.389 2.442 3.129
15 H GLY 3 HN GLY 3 4.637 0.669 -1.878
16 HA2 GLY 3 HA1 GLY 3 6.794 0.877 -3.708
17 HA3 GLY 3 HA2 GLY 3 5.273 -0.054 -3.916
18 H GLY 4 HN GLY 4 3.678 2.534 -3.638
19 HA2 GLY 4 HA1 GLY 4 3.464 2.888 -6.460
20 HA3 GLY 4 HA2 GLY 4 2.589 3.782 -5.166
21 H LYS 5 HN LYS 5 4.755 4.997 -3.860
22 HA LYS 5 HA LYS 5 5.296 7.116 -5.661
23 HB2 LYS 5 HB1 LYS 5 6.560 8.209 -3.895
24 HB3 LYS 5 HB2 LYS 5 4.957 7.623 -3.396
25 HG2 LYS 5 HG1 LYS 5 6.067 7.024 -1.544
26 HG3 LYS 5 HG2 LYS 5 6.309 5.505 -2.459
27 HD2 LYS 5 HD1 LYS 5 8.581 6.376 -3.195
28 HD3 LYS 5 HD2 LYS 5 8.328 7.859 -2.246
29 HE2 LYS 5 HE1 LYS 5 8.423 4.984 -1.067
30 HE3 LYS 5 HE2 LYS 5 9.821 6.129 -1.114
31 HZ1 LYS 5 HZ1 LYS 5 8.691 6.176 1.011
32 HZ2 LYS 5 HZ2 LYS 5 7.228 6.616 0.271
33 HZ3 LYS 5 HZ3 LYS 5 8.552 7.671 0.229
34 H ILE 6 HN ILE 6 7.445 4.382 -4.663
35 HA ILE 6 HA ILE 6 9.603 5.430 -6.229
36 HB ILE 6 HB ILE 6 10.671 3.230 -6.032
37 HG12 ILE 6 HG11 ILE 6 8.256 2.515 -4.252
38 HG13 ILE 6 HG12 ILE 6 8.580 1.810 -5.870
39 HG21 ILE 6 HG21 ILE 6 11.226 3.571 -3.676
40 HG22 ILE 6 HG22 ILE 6 10.930 5.179 -4.419
41 HG23 ILE 6 HG23 ILE 6 9.664 4.414 -3.370
42 HD11 ILE 6 HD1 ILE 6 9.362 0.244 -4.151
43 HD12 ILE 6 HD2 ILE 6 10.789 0.908 -5.023
44 HD13 ILE 6 HD3 ILE 6 10.377 1.507 -3.375
45 H LEU 7 HN LEU 7 7.018 3.012 -7.002
46 HA LEU 7 HA LEU 7 8.005 2.503 -9.581
47 HB2 LEU 7 HB1 LEU 7 5.208 2.292 -8.368
48 HB3 LEU 7 HB2 LEU 7 5.553 1.788 -10.052
49 HG LEU 7 HG LEU 7 6.971 0.620 -7.593
50 HD11 LEU 7 HD11 LEU 7 5.497 -1.364 -7.908
51 HD12 LEU 7 HD12 LEU 7 4.607 -0.510 -9.225
52 HD13 LEU 7 HD13 LEU 7 4.539 0.115 -7.535
53 HD21 LEU 7 HD21 LEU 7 7.632 -1.211 -9.159
54 HD22 LEU 7 HD22 LEU 7 8.315 0.366 -9.682
55 HD23 LEU 7 HD23 LEU 7 6.869 -0.326 -10.531
56 H SER 8 HN SER 8 5.714 5.044 -8.458
57 HA SER 8 HA SER 8 5.123 6.062 -10.993
58 HB2 SER 8 HB1 SER 8 3.921 6.677 -8.870
59 HB3 SER 8 HB2 SER 8 5.346 7.657 -8.377
60 HG SER 8 HG1 SER 8 3.688 8.887 -9.472
61 H GLY 9 HN GLY 9 7.852 6.989 -8.777
62 HA2 GLY 9 HA1 GLY 9 8.860 8.945 -10.579
63 HA3 GLY 9 HA2 GLY 9 9.754 8.126 -9.250
64 H LEU 10 HN LEU 10 9.724 5.482 -10.147
65 HA LEU 10 HA LEU 10 11.761 5.454 -12.077
66 HB2 LEU 10 HB1 LEU 10 11.387 3.777 -10.291
67 HB3 LEU 10 HB2 LEU 10 9.875 3.239 -11.059
68 HG LEU 10 HG LEU 10 11.939 1.767 -11.270
69 HD11 LEU 10 HD11 LEU 10 9.938 1.484 -12.754
70 HD12 LEU 10 HD12 LEU 10 11.499 0.955 -13.505
71 HD13 LEU 10 HD13 LEU 10 10.756 2.511 -14.007
72 HD21 LEU 10 HD21 LEU 10 12.906 3.803 -13.370
73 HD22 LEU 10 HD22 LEU 10 13.662 2.226 -12.956
74 HD23 LEU 10 HD23 LEU 10 13.631 3.550 -11.737
75 H LYS 11 HN LYS 11 8.229 4.697 -12.462
76 HA LYS 11 HA LYS 11 8.482 4.171 -15.245
77 HB2 LYS 11 HB1 LYS 11 6.091 4.864 -13.472
78 HB3 LYS 11 HB2 LYS 11 5.913 4.573 -15.226
79 HG2 LYS 11 HG1 LYS 11 7.080 2.524 -13.255
80 HG3 LYS 11 HG2 LYS 11 5.367 2.596 -13.791
81 HD2 LYS 11 HD1 LYS 11 6.112 2.392 -16.192
82 HD3 LYS 11 HD2 LYS 11 7.794 2.135 -15.661
83 HE2 LYS 11 HE1 LYS 11 5.367 0.323 -14.971
84 HE3 LYS 11 HE2 LYS 11 6.612 -0.017 -16.239
85 HZ1 LYS 11 HZ1 LYS 11 8.292 -0.036 -14.523
86 HZ2 LYS 11 HZ2 LYS 11 7.073 -1.160 -14.164
87 HZ3 LYS 11 HZ3 LYS 11 7.140 0.321 -13.331
88 H THR 12 HN THR 12 7.666 7.200 -13.467
89 HA THR 12 HA THR 12 7.135 8.711 -15.761
90 HB THR 12 HB THR 12 8.335 9.698 -13.132
91 HG1 THR 12 HG1 THR 12 6.368 8.859 -12.742
92 HG21 THR 12 HG21 THR 12 6.850 11.153 -15.440
93 HG22 THR 12 HG22 THR 12 8.578 11.422 -14.972
94 HG23 THR 12 HG23 THR 12 7.254 11.877 -13.848
95 H ALA 13 HN ALA 13 10.327 8.185 -14.068
96 HA ALA 13 HA ALA 13 11.787 9.712 -15.922
97 HB1 ALA 13 HB1 ALA 13 12.636 8.991 -13.684
98 HB2 ALA 13 HB2 ALA 13 12.610 7.277 -14.223
99 HB3 ALA 13 HB3 ALA 13 13.748 8.451 -14.993
100 H LEU 14 HN LEU 14 11.105 6.168 -15.910
101 HA LEU 14 HA LEU 14 12.594 5.592 -18.196
102 HB2 LEU 14 HB1 LEU 14 11.882 3.989 -16.411
103 HB3 LEU 14 HB2 LEU 14 10.187 4.154 -16.945
104 HG LEU 14 HG LEU 14 10.828 3.125 -19.173
105 HD11 LEU 14 HD11 LEU 14 13.569 2.693 -17.814
106 HD12 LEU 14 HD12 LEU 14 13.251 3.716 -19.265
107 HD13 LEU 14 HD13 LEU 14 13.034 1.934 -19.356
108 HD21 LEU 14 HD21 LEU 14 11.094 0.810 -18.296
109 HD22 LEU 14 HD22 LEU 14 9.890 1.745 -17.325
110 HD23 LEU 14 HD23 LEU 14 11.560 1.465 -16.683
111 H LYS 15 HN LYS 15 9.066 6.332 -17.969
112 HA LYS 15 HA LYS 15 8.982 6.608 -20.866
113 HB2 LYS 15 HB1 LYS 15 8.746 4.069 -20.017
114 HB3 LYS 15 HB2 LYS 15 7.107 4.598 -19.561
115 HG2 LYS 15 HG1 LYS 15 6.825 3.606 -21.633
116 HG3 LYS 15 HG2 LYS 15 6.833 5.324 -22.082
117 HD2 LYS 15 HD1 LYS 15 9.322 3.451 -22.279
118 HD3 LYS 15 HD2 LYS 15 8.070 3.585 -23.532
119 HE2 LYS 15 HE1 LYS 15 9.356 5.135 -24.521
120 HE3 LYS 15 HE2 LYS 15 8.648 6.258 -23.304
121 HZ1 LYS 15 HZ1 LYS 15 11.317 4.951 -23.320
122 HZ2 LYS 15 HZ2 LYS 15 10.664 5.558 -21.879
123 HZ3 LYS 15 HZ3 LYS 15 10.884 6.582 -23.183
124 H GLY 16 HN GLY 16 8.374 8.261 -18.341
125 HA2 GLY 16 HA1 GLY 16 5.800 9.296 -19.414
126 HA3 GLY 16 HA2 GLY 16 6.528 9.679 -17.808
127 H ALA 17 HN ALA 17 8.637 10.789 -17.837
128 HA ALA 17 HA ALA 17 8.723 13.012 -19.565
129 HB1 ALA 17 HB1 ALA 17 9.659 13.001 -17.241
130 HB2 ALA 17 HB2 ALA 17 10.876 11.768 -17.733
131 HB3 ALA 17 HB3 ALA 17 10.935 13.432 -18.433
132 H ALA 18 HN ALA 18 10.618 9.937 -19.554
133 HA ALA 18 HA ALA 18 11.811 10.646 -22.111
134 HB1 ALA 18 HB1 ALA 18 13.145 9.505 -20.329
135 HB2 ALA 18 HB2 ALA 18 12.046 8.090 -20.425
136 HB3 ALA 18 HB3 ALA 18 13.074 8.541 -21.843
137 H LYS 19 HN LYS 19 8.724 9.928 -21.642
138 HA LYS 19 HA LYS 19 8.630 8.520 -24.241
139 HB2 LYS 19 HB1 LYS 19 6.902 7.653 -22.721
140 HB3 LYS 19 HB2 LYS 19 6.433 9.311 -22.250
141 HG2 LYS 19 HG1 LYS 19 5.584 9.774 -24.518
142 HG3 LYS 19 HG2 LYS 19 6.048 8.139 -25.081
143 HD2 LYS 19 HD1 LYS 19 4.447 7.075 -23.609
144 HD3 LYS 19 HD2 LYS 19 4.254 8.545 -22.613
145 HE2 LYS 19 HE1 LYS 19 3.302 8.375 -25.554
146 HE3 LYS 19 HE2 LYS 19 2.263 8.028 -24.111
147 HZ1 LYS 19 HZ1 LYS 19 1.950 10.338 -24.654
148 HZ2 LYS 19 HZ2 LYS 19 3.601 10.619 -24.755
149 HZ3 LYS 19 HZ3 LYS 19 3.022 10.343 -23.331
150 H GLU 20 HN GLU 20 7.296 11.454 -22.560
151 HA GLU 20 HA GLU 20 6.674 12.783 -24.875
152 HB2 GLU 20 HB1 GLU 20 7.093 13.465 -21.966
153 HB3 GLU 20 HB2 GLU 20 6.916 14.838 -23.099
154 HG2 GLU 20 HG1 GLU 20 4.768 13.914 -21.870
155 HG3 GLU 20 HG2 GLU 20 4.693 14.408 -23.596
156 H LEU 21 HN LEU 21 9.805 13.149 -23.101
157 HA LEU 21 HA LEU 21 10.704 15.140 -24.933
158 HB2 LEU 21 HB1 LEU 21 11.464 14.835 -22.541
159 HB3 LEU 21 HB2 LEU 21 12.258 13.307 -23.016
160 HG LEU 21 HG LEU 21 13.794 14.603 -24.535
161 HD11 LEU 21 HD11 LEU 21 13.930 17.100 -24.300
162 HD12 LEU 21 HD12 LEU 21 12.404 17.088 -23.337
163 HD13 LEU 21 HD13 LEU 21 12.395 16.578 -25.070
164 HD21 LEU 21 HD21 LEU 21 13.726 15.600 -21.618
165 HD22 LEU 21 HD22 LEU 21 15.152 15.630 -22.724
166 HD23 LEU 21 HD23 LEU 21 14.457 14.051 -22.196
167 H ALA 22 HN ALA 22 10.433 11.720 -25.233
168 HA ALA 22 HA ALA 22 12.559 11.607 -27.289
169 HB1 ALA 22 HB1 ALA 22 11.104 9.378 -25.747
170 HB2 ALA 22 HB2 ALA 22 12.468 9.154 -26.914
171 HB3 ALA 22 HB3 ALA 22 12.747 10.014 -25.356
172 H SER 23 HN SER 23 9.246 12.133 -27.104
173 HA SER 23 HA SER 23 8.158 10.081 -28.551
174 HB2 SER 23 HB1 SER 23 6.905 11.797 -27.156
175 HB3 SER 23 HB2 SER 23 6.992 12.923 -28.544
176 HG SER 23 HG1 SER 23 5.828 11.345 -29.751
177 H THR 24 HN THR 24 9.335 13.196 -29.899
178 HA THR 24 HA THR 24 8.620 12.838 -32.529
179 HB THR 24 HB THR 24 11.261 14.085 -31.609
180 HG1 THR 24 HG1 THR 24 10.003 15.938 -31.301
181 HG21 THR 24 HG21 THR 24 10.783 14.016 -34.112
182 HG22 THR 24 HG22 THR 24 10.721 15.696 -33.477
183 HG23 THR 24 HG23 THR 24 9.192 14.803 -33.812
184 H TYR 25 HN TYR 25 11.389 11.484 -30.749
185 HA TYR 25 HA TYR 25 12.743 10.723 -33.213
186 HB2 TYR 25 HB1 TYR 25 13.600 10.404 -30.263
187 HB3 TYR 25 HB2 TYR 25 14.670 10.281 -31.716
188 HD1 TYR 25 HD1 TYR 25 14.628 12.399 -33.308
189 HD2 TYR 25 HD2 TYR 25 13.419 12.477 -29.184
190 HE1 TYR 25 HE1 TYR 25 14.899 14.856 -33.276
191 HE2 TYR 25 HE2 TYR 25 13.684 14.938 -29.154
192 HH TYR 25 HH TYR 25 14.783 16.732 -32.040
193 H LEU 26 HN LEU 26 10.423 9.351 -31.261
194 HA LEU 26 HA LEU 26 11.137 6.623 -32.182
195 HB2 LEU 26 HB1 LEU 26 9.548 7.690 -29.793
196 HB3 LEU 26 HB2 LEU 26 9.125 6.092 -30.476
197 HG LEU 26 HG LEU 26 10.511 5.844 -28.524
198 HD11 LEU 26 HD11 LEU 26 10.613 4.143 -30.370
199 HD12 LEU 26 HD12 LEU 26 12.147 4.226 -29.419
200 HD13 LEU 26 HD13 LEU 26 12.055 4.983 -31.047
201 HD21 LEU 26 HD21 LEU 26 12.883 6.467 -28.387
202 HD22 LEU 26 HD22 LEU 26 11.892 7.950 -28.703
203 HD23 LEU 26 HD23 LEU 26 12.832 7.184 -30.035
204 H HIS 27 HN HIS 27 9.771 9.200 -33.415
205 HA HIS 27 HA HIS 27 7.699 7.663 -34.778
206 HB2 HIS 27 HB1 HIS 27 6.527 8.836 -32.875
207 HB3 HIS 27 HB2 HIS 27 7.163 10.403 -33.464
208 HD2 HIS 27 HD2 HIS 27 4.280 7.821 -34.257
209 HE1 HIS 27 HE1 HIS 27 4.098 11.032 -37.031
210 HE2 HIS 27 HE2 HIS 27 2.920 8.937 -36.160
Start of MODEL 15
1 H1 GLY 1 HN GLY 1 1.178 -0.263 -0.013
2 HA2 GLY 1 HA1 GLY 1 0.973 1.620 -1.668
3 HA3 GLY 1 HA2 GLY 1 1.480 2.147 -0.010
4 H ILE 2 HN ILE 2 4.033 0.661 -0.598
5 HA ILE 2 HA ILE 2 5.612 2.882 -1.079
6 HB ILE 2 HB ILE 2 6.332 0.964 0.212
7 HG12 ILE 2 HG11 ILE 2 8.258 1.504 -2.128
8 HG13 ILE 2 HG12 ILE 2 7.952 2.637 -0.772
9 HG21 ILE 2 HG21 ILE 2 5.384 -0.858 -1.282
10 HG22 ILE 2 HG22 ILE 2 6.705 -0.528 -2.473
11 HG23 ILE 2 HG23 ILE 2 7.094 -1.132 -0.830
12 HD11 ILE 2 HD1 ILE 2 9.126 -0.215 -0.514
13 HD12 ILE 2 HD2 ILE 2 10.012 1.336 -0.325
14 HD13 ILE 2 HD3 ILE 2 8.744 0.875 0.867
15 H GLY 3 HN GLY 3 4.516 0.496 -3.437
16 HA2 GLY 3 HA1 GLY 3 6.121 1.218 -5.622
17 HA3 GLY 3 HA2 GLY 3 4.455 0.549 -5.693
18 H GLY 4 HN GLY 4 3.255 2.876 -4.322
19 HA2 GLY 4 HA1 GLY 4 2.962 4.598 -6.636
20 HA3 GLY 4 HA2 GLY 4 2.113 4.684 -5.053
21 H LYS 5 HN LYS 5 5.170 4.525 -4.094
22 HA LYS 5 HA LYS 5 5.682 7.423 -4.345
23 HB2 LYS 5 HB1 LYS 5 5.604 6.307 -2.058
24 HB3 LYS 5 HB2 LYS 5 7.038 5.354 -2.522
25 HG2 LYS 5 HG1 LYS 5 8.325 7.524 -2.837
26 HG3 LYS 5 HG2 LYS 5 6.847 8.430 -2.365
27 HD2 LYS 5 HD1 LYS 5 6.886 7.165 -0.120
28 HD3 LYS 5 HD2 LYS 5 8.394 6.380 -0.647
29 HE2 LYS 5 HE1 LYS 5 8.995 8.179 0.883
30 HE3 LYS 5 HE2 LYS 5 9.528 8.663 -0.776
31 HZ1 LYS 5 HZ1 LYS 5 7.509 9.986 -0.961
32 HZ2 LYS 5 HZ2 LYS 5 8.421 10.460 0.390
33 HZ3 LYS 5 HZ3 LYS 5 7.023 9.528 0.596
34 H ILE 6 HN ILE 6 7.441 4.242 -4.574
35 HA ILE 6 HA ILE 6 9.654 5.504 -5.794
36 HB ILE 6 HB ILE 6 10.681 3.362 -6.043
37 HG12 ILE 6 HG11 ILE 6 8.012 2.169 -5.070
38 HG13 ILE 6 HG12 ILE 6 8.705 1.980 -6.716
39 HG21 ILE 6 HG21 ILE 6 10.829 2.903 -3.632
40 HG22 ILE 6 HG22 ILE 6 10.625 4.670 -3.869
41 HG23 ILE 6 HG23 ILE 6 9.227 3.660 -3.329
42 HD11 ILE 6 HD1 ILE 6 10.723 0.817 -5.709
43 HD12 ILE 6 HD2 ILE 6 9.927 0.897 -4.095
44 HD13 ILE 6 HD3 ILE 6 9.171 -0.051 -5.420
45 H LEU 7 HN LEU 7 6.947 3.666 -7.389
46 HA LEU 7 HA LEU 7 8.388 3.720 -9.880
47 HB2 LEU 7 HB1 LEU 7 5.449 3.077 -9.327
48 HB3 LEU 7 HB2 LEU 7 6.304 2.792 -10.871
49 HG LEU 7 HG LEU 7 6.957 1.452 -8.179
50 HD11 LEU 7 HD11 LEU 7 4.777 0.732 -9.120
51 HD12 LEU 7 HD12 LEU 7 5.991 -0.597 -9.210
52 HD13 LEU 7 HD13 LEU 7 5.561 0.339 -10.692
53 HD21 LEU 7 HD21 LEU 7 8.107 0.932 -10.997
54 HD22 LEU 7 HD22 LEU 7 8.401 -0.087 -9.535
55 HD23 LEU 7 HD23 LEU 7 9.013 1.603 -9.577
56 H SER 8 HN SER 8 6.215 5.865 -8.222
57 HA SER 8 HA SER 8 5.384 7.413 -10.411
58 HB2 SER 8 HB1 SER 8 5.696 8.190 -7.457
59 HB3 SER 8 HB2 SER 8 4.714 9.077 -8.688
60 HG SER 8 HG1 SER 8 3.698 7.358 -7.247
61 H GLY 9 HN GLY 9 8.460 7.260 -8.802
62 HA2 GLY 9 HA1 GLY 9 9.313 9.620 -10.421
63 HA3 GLY 9 HA2 GLY 9 10.259 8.800 -9.136
64 H LEU 10 HN LEU 10 10.138 6.147 -9.791
65 HA LEU 10 HA LEU 10 12.137 6.106 -11.720
66 HB2 LEU 10 HB1 LEU 10 11.916 4.641 -9.742
67 HB3 LEU 10 HB2 LEU 10 10.526 3.804 -10.470
68 HG LEU 10 HG LEU 10 12.786 2.637 -10.442
69 HD11 LEU 10 HD11 LEU 10 12.554 1.499 -12.563
70 HD12 LEU 10 HD12 LEU 10 11.590 2.851 -13.263
71 HD13 LEU 10 HD13 LEU 10 10.909 1.868 -11.894
72 HD21 LEU 10 HD21 LEU 10 14.489 3.119 -12.140
73 HD22 LEU 10 HD22 LEU 10 14.224 4.570 -11.111
74 HD23 LEU 10 HD23 LEU 10 13.535 4.503 -12.776
75 H LYS 11 HN LYS 11 8.691 4.996 -12.153
76 HA LYS 11 HA LYS 11 9.380 4.230 -14.901
77 HB2 LYS 11 HB1 LYS 11 6.884 3.921 -13.178
78 HB3 LYS 11 HB2 LYS 11 6.834 3.645 -14.942
79 HG2 LYS 11 HG1 LYS 11 8.767 2.150 -13.078
80 HG3 LYS 11 HG2 LYS 11 7.129 1.562 -13.529
81 HD2 LYS 11 HD1 LYS 11 7.711 1.680 -15.949
82 HD3 LYS 11 HD2 LYS 11 9.380 2.169 -15.569
83 HE2 LYS 11 HE1 LYS 11 8.068 -0.516 -14.719
84 HE3 LYS 11 HE2 LYS 11 9.114 -0.286 -16.175
85 HZ1 LYS 11 HZ1 LYS 11 10.905 0.411 -14.727
86 HZ2 LYS 11 HZ2 LYS 11 10.358 -1.137 -14.307
87 HZ3 LYS 11 HZ3 LYS 11 9.932 0.203 -13.355
88 H THR 12 HN THR 12 7.852 6.909 -13.150
89 HA THR 12 HA THR 12 6.821 8.230 -15.384
90 HB THR 12 HB THR 12 8.142 9.488 -12.938
91 HG1 THR 12 HG1 THR 12 6.213 9.304 -12.052
92 HG21 THR 12 HG21 THR 12 5.977 10.494 -14.929
93 HG22 THR 12 HG22 THR 12 7.655 11.148 -14.807
94 HG23 THR 12 HG23 THR 12 6.506 11.354 -13.442
95 H ALA 13 HN ALA 13 10.197 8.425 -13.978
96 HA ALA 13 HA ALA 13 11.175 10.014 -16.090
97 HB1 ALA 13 HB1 ALA 13 13.413 9.275 -15.230
98 HB2 ALA 13 HB2 ALA 13 12.311 9.737 -13.883
99 HB3 ALA 13 HB3 ALA 13 12.598 8.000 -14.242
100 H LEU 14 HN LEU 14 11.222 6.430 -15.654
101 HA LEU 14 HA LEU 14 12.742 6.005 -17.975
102 HB2 LEU 14 HB1 LEU 14 12.604 4.556 -15.908
103 HB3 LEU 14 HB2 LEU 14 10.964 4.054 -16.413
104 HG LEU 14 HG LEU 14 11.997 3.030 -18.508
105 HD11 LEU 14 HD11 LEU 14 14.665 3.733 -17.117
106 HD12 LEU 14 HD12 LEU 14 14.074 4.379 -18.694
107 HD13 LEU 14 HD13 LEU 14 14.478 2.639 -18.536
108 HD21 LEU 14 HD21 LEU 14 11.495 1.648 -16.516
109 HD22 LEU 14 HD22 LEU 14 13.122 2.050 -15.811
110 HD23 LEU 14 HD23 LEU 14 13.008 1.080 -17.328
111 H LYS 15 HN LYS 15 9.222 6.342 -17.695
112 HA LYS 15 HA LYS 15 9.208 5.895 -20.590
113 HB2 LYS 15 HB1 LYS 15 8.628 3.701 -19.417
114 HB3 LYS 15 HB2 LYS 15 7.219 4.533 -18.703
115 HG2 LYS 15 HG1 LYS 15 6.374 3.248 -20.470
116 HG3 LYS 15 HG2 LYS 15 6.325 4.895 -21.111
117 HD2 LYS 15 HD1 LYS 15 8.395 2.666 -21.723
118 HD3 LYS 15 HD2 LYS 15 7.028 3.137 -22.763
119 HE2 LYS 15 HE1 LYS 15 9.605 4.749 -22.222
120 HE3 LYS 15 HE2 LYS 15 9.069 3.996 -23.761
121 HZ1 LYS 15 HZ1 LYS 15 7.607 6.193 -22.366
122 HZ2 LYS 15 HZ2 LYS 15 7.270 5.563 -23.904
123 HZ3 LYS 15 HZ3 LYS 15 8.711 6.409 -23.595
124 H GLY 16 HN GLY 16 7.722 7.697 -17.931
125 HA2 GLY 16 HA1 GLY 16 5.745 8.847 -19.733
126 HA3 GLY 16 HA2 GLY 16 6.229 9.409 -18.095
127 H ALA 17 HN ALA 17 8.678 10.198 -18.128
128 HA ALA 17 HA ALA 17 8.857 12.455 -19.791
129 HB1 ALA 17 HB1 ALA 17 10.001 12.237 -17.560
130 HB2 ALA 17 HB2 ALA 17 11.080 10.968 -18.250
131 HB3 ALA 17 HB3 ALA 17 11.174 12.664 -18.858
132 H ALA 18 HN ALA 18 10.398 9.245 -20.032
133 HA ALA 18 HA ALA 18 11.442 9.798 -22.665
134 HB1 ALA 18 HB1 ALA 18 11.222 7.177 -21.074
135 HB2 ALA 18 HB2 ALA 18 12.219 7.440 -22.558
136 HB3 ALA 18 HB3 ALA 18 12.617 8.309 -21.035
137 H LYS 19 HN LYS 19 8.292 9.826 -22.119
138 HA LYS 19 HA LYS 19 7.915 8.586 -24.771
139 HB2 LYS 19 HB1 LYS 19 6.054 8.008 -23.070
140 HB3 LYS 19 HB2 LYS 19 5.608 9.724 -23.200
141 HG2 LYS 19 HG1 LYS 19 5.770 9.224 -25.887
142 HG3 LYS 19 HG2 LYS 19 5.764 7.527 -25.379
143 HD2 LYS 19 HD1 LYS 19 3.533 7.781 -25.846
144 HD3 LYS 19 HD2 LYS 19 3.478 8.234 -24.118
145 HE2 LYS 19 HE1 LYS 19 3.497 10.124 -26.603
146 HE3 LYS 19 HE2 LYS 19 2.131 9.850 -25.437
147 HZ1 LYS 19 HZ1 LYS 19 4.763 11.123 -24.949
148 HZ2 LYS 19 HZ2 LYS 19 3.892 10.478 -23.734
149 HZ3 LYS 19 HZ3 LYS 19 3.310 11.815 -24.571
150 H GLU 20 HN GLU 20 6.943 11.591 -22.925
151 HA GLU 20 HA GLU 20 6.629 13.142 -25.095
152 HB2 GLU 20 HB1 GLU 20 7.267 13.566 -22.168
153 HB3 GLU 20 HB2 GLU 20 7.542 15.002 -23.192
154 HG2 GLU 20 HG1 GLU 20 5.292 15.005 -22.098
155 HG3 GLU 20 HG2 GLU 20 5.229 15.130 -23.893
156 H LEU 21 HN LEU 21 9.824 12.792 -23.429
157 HA LEU 21 HA LEU 21 11.059 14.626 -25.256
158 HB2 LEU 21 HB1 LEU 21 11.810 14.153 -22.895
159 HB3 LEU 21 HB2 LEU 21 12.248 12.494 -23.389
160 HG LEU 21 HG LEU 21 13.985 13.433 -24.948
161 HD11 LEU 21 HD11 LEU 21 13.020 15.656 -25.474
162 HD12 LEU 21 HD12 LEU 21 14.649 15.846 -24.744
163 HD13 LEU 21 HD13 LEU 21 13.179 16.162 -23.747
164 HD21 LEU 21 HD21 LEU 21 14.202 14.440 -22.042
165 HD22 LEU 21 HD22 LEU 21 15.573 14.162 -23.182
166 HD23 LEU 21 HD23 LEU 21 14.575 12.769 -22.618
167 H ALA 22 HN ALA 22 10.091 11.327 -25.586
168 HA ALA 22 HA ALA 22 12.202 10.751 -27.572
169 HB1 ALA 22 HB1 ALA 22 10.145 8.927 -26.188
170 HB2 ALA 22 HB2 ALA 22 11.460 8.385 -27.302
171 HB3 ALA 22 HB3 ALA 22 11.873 9.112 -25.708
172 H SER 23 HN SER 23 8.725 11.386 -27.339
173 HA SER 23 HA SER 23 7.878 10.171 -29.669
174 HB2 SER 23 HB1 SER 23 6.784 12.610 -28.190
175 HB3 SER 23 HB2 SER 23 6.012 12.008 -29.699
176 HG SER 23 HG1 SER 23 5.856 9.963 -28.707
177 H THR 24 HN THR 24 9.467 13.360 -29.390
178 HA THR 24 HA THR 24 9.102 14.276 -31.947
179 HB THR 24 HB THR 24 11.733 14.411 -30.389
180 HG1 THR 24 HG1 THR 24 10.797 16.177 -29.387
181 HG21 THR 24 HG21 THR 24 10.250 16.408 -32.250
182 HG22 THR 24 HG22 THR 24 11.723 15.474 -32.700
183 HG23 THR 24 HG23 THR 24 11.815 16.720 -31.409
184 H TYR 25 HN TYR 25 11.349 11.735 -30.820
185 HA TYR 25 HA TYR 25 12.597 11.655 -33.498
186 HB2 TYR 25 HB1 TYR 25 13.558 10.436 -30.832
187 HB3 TYR 25 HB2 TYR 25 14.514 10.600 -32.358
188 HD1 TYR 25 HD1 TYR 25 14.648 13.085 -33.299
189 HD2 TYR 25 HD2 TYR 25 13.767 12.112 -29.198
190 HE1 TYR 25 HE1 TYR 25 15.279 15.373 -32.615
191 HE2 TYR 25 HE2 TYR 25 14.393 14.396 -28.523
192 HH TYR 25 HH TYR 25 15.515 16.810 -30.907
193 H LEU 26 HN LEU 26 10.730 9.656 -31.222
194 HA LEU 26 HA LEU 26 11.076 7.324 -33.011
195 HB2 LEU 26 HB1 LEU 26 10.167 7.649 -30.094
196 HB3 LEU 26 HB2 LEU 26 9.941 6.124 -31.004
197 HG LEU 26 HG LEU 26 11.809 5.892 -29.566
198 HD11 LEU 26 HD11 LEU 26 13.516 5.085 -31.146
199 HD12 LEU 26 HD12 LEU 26 12.847 6.114 -32.458
200 HD13 LEU 26 HD13 LEU 26 11.868 4.749 -31.803
201 HD21 LEU 26 HD21 LEU 26 13.310 8.139 -31.019
202 HD22 LEU 26 HD22 LEU 26 13.891 7.143 -29.642
203 HD23 LEU 26 HD23 LEU 26 12.536 8.316 -29.395
204 H HIS 27 HN HIS 27 8.802 9.819 -32.566
205 HA HIS 27 HA HIS 27 6.755 8.107 -33.839
206 HB2 HIS 27 HB1 HIS 27 6.176 10.185 -31.639
207 HB3 HIS 27 HB2 HIS 27 4.941 9.286 -32.583
208 HD2 HIS 27 HD2 HIS 27 6.140 6.221 -32.252
209 HE1 HIS 27 HE1 HIS 27 5.568 7.069 -28.140
210 HE2 HIS 27 HE2 HIS 27 5.870 5.230 -29.907
Start of MODEL 16
1 H1 GLY 1 HN GLY 1 1.539 -0.183 0.467
2 HA2 GLY 1 HA1 GLY 1 1.269 1.701 -1.165
3 HA3 GLY 1 HA2 GLY 1 1.842 2.234 0.468
4 H ILE 2 HN ILE 2 4.366 0.715 -0.276
5 HA ILE 2 HA ILE 2 5.931 2.938 -0.855
6 HB ILE 2 HB ILE 2 6.741 1.034 0.396
7 HG12 ILE 2 HG11 ILE 2 8.481 1.491 -2.101
8 HG13 ILE 2 HG12 ILE 2 8.295 2.672 -0.764
9 HG21 ILE 2 HG21 ILE 2 6.884 -0.510 -2.281
10 HG22 ILE 2 HG22 ILE 2 7.395 -1.087 -0.663
11 HG23 ILE 2 HG23 ILE 2 5.658 -0.803 -0.983
12 HD11 ILE 2 HD1 ILE 2 9.197 0.945 0.864
13 HD12 ILE 2 HD2 ILE 2 9.451 -0.188 -0.510
14 HD13 ILE 2 HD3 ILE 2 10.372 1.351 -0.440
15 H GLY 3 HN GLY 3 4.711 0.507 -3.091
16 HA2 GLY 3 HA1 GLY 3 6.108 1.178 -5.419
17 HA3 GLY 3 HA2 GLY 3 4.447 0.502 -5.324
18 H GLY 4 HN GLY 4 3.434 2.873 -3.869
19 HA2 GLY 4 HA1 GLY 4 2.692 4.419 -6.171
20 HA3 GLY 4 HA2 GLY 4 2.159 4.610 -4.465
21 H LYS 5 HN LYS 5 5.404 4.650 -4.199
22 HA LYS 5 HA LYS 5 5.699 7.390 -5.271
23 HB2 LYS 5 HB1 LYS 5 6.899 8.234 -3.376
24 HB3 LYS 5 HB2 LYS 5 5.262 7.688 -2.948
25 HG2 LYS 5 HG1 LYS 5 6.357 6.937 -1.142
26 HG3 LYS 5 HG2 LYS 5 6.444 5.449 -2.127
27 HD2 LYS 5 HD1 LYS 5 8.781 5.958 -2.763
28 HD3 LYS 5 HD2 LYS 5 8.693 7.586 -2.049
29 HE2 LYS 5 HE1 LYS 5 8.507 4.944 -0.431
30 HE3 LYS 5 HE2 LYS 5 10.009 5.927 -0.647
31 HZ1 LYS 5 HZ1 LYS 5 7.479 6.873 0.613
32 HZ2 LYS 5 HZ2 LYS 5 8.889 7.784 0.408
33 HZ3 LYS 5 HZ3 LYS 5 8.898 6.434 1.429
34 H ILE 6 HN ILE 6 7.374 4.244 -4.630
35 HA ILE 6 HA ILE 6 9.724 5.296 -5.889
36 HB ILE 6 HB ILE 6 10.652 3.129 -6.000
37 HG12 ILE 6 HG11 ILE 6 7.979 2.061 -4.917
38 HG13 ILE 6 HG12 ILE 6 8.620 1.778 -6.572
39 HG21 ILE 6 HG21 ILE 6 10.810 2.799 -3.568
40 HG22 ILE 6 HG22 ILE 6 10.668 4.557 -3.909
41 HG23 ILE 6 HG23 ILE 6 9.236 3.630 -3.300
42 HD11 ILE 6 HD1 ILE 6 9.075 -0.200 -5.192
43 HD12 ILE 6 HD2 ILE 6 10.633 0.611 -5.581
44 HD13 ILE 6 HD3 ILE 6 9.904 0.788 -3.943
45 H LEU 7 HN LEU 7 6.893 3.470 -7.270
46 HA LEU 7 HA LEU 7 8.207 3.371 -9.832
47 HB2 LEU 7 HB1 LEU 7 5.284 2.852 -9.079
48 HB3 LEU 7 HB2 LEU 7 6.028 2.485 -10.663
49 HG LEU 7 HG LEU 7 6.815 1.215 -7.973
50 HD11 LEU 7 HD11 LEU 7 5.221 0.067 -10.350
51 HD12 LEU 7 HD12 LEU 7 4.554 0.537 -8.744
52 HD13 LEU 7 HD13 LEU 7 5.719 -0.833 -8.866
53 HD21 LEU 7 HD21 LEU 7 8.778 1.248 -9.502
54 HD22 LEU 7 HD22 LEU 7 7.767 0.573 -10.841
55 HD23 LEU 7 HD23 LEU 7 8.116 -0.416 -9.373
56 H SER 8 HN SER 8 6.118 5.617 -8.161
57 HA SER 8 HA SER 8 5.248 7.101 -10.364
58 HB2 SER 8 HB1 SER 8 5.683 8.051 -7.478
59 HB3 SER 8 HB2 SER 8 4.594 8.801 -8.709
60 HG SER 8 HG1 SER 8 3.627 7.232 -7.150
61 H GLY 9 HN GLY 9 8.384 6.993 -8.857
62 HA2 GLY 9 HA1 GLY 9 9.189 9.331 -10.520
63 HA3 GLY 9 HA2 GLY 9 10.180 8.478 -9.291
64 H LEU 10 HN LEU 10 9.955 5.821 -10.006
65 HA LEU 10 HA LEU 10 11.871 5.745 -12.022
66 HB2 LEU 10 HB1 LEU 10 11.613 4.220 -10.088
67 HB3 LEU 10 HB2 LEU 10 10.178 3.468 -10.826
68 HG LEU 10 HG LEU 10 12.880 3.490 -12.283
69 HD11 LEU 10 HD11 LEU 10 13.348 2.702 -9.973
70 HD12 LEU 10 HD12 LEU 10 13.475 1.349 -11.152
71 HD13 LEU 10 HD13 LEU 10 12.018 1.490 -10.097
72 HD21 LEU 10 HD21 LEU 10 12.084 1.251 -13.134
73 HD22 LEU 10 HD22 LEU 10 10.973 2.579 -13.614
74 HD23 LEU 10 HD23 LEU 10 10.529 1.477 -12.244
75 H LYS 11 HN LYS 11 8.387 4.744 -12.313
76 HA LYS 11 HA LYS 11 8.792 3.928 -15.053
77 HB2 LYS 11 HB1 LYS 11 6.251 4.317 -13.385
78 HB3 LYS 11 HB2 LYS 11 6.257 3.702 -15.062
79 HG2 LYS 11 HG1 LYS 11 7.681 2.324 -12.696
80 HG3 LYS 11 HG2 LYS 11 6.043 1.927 -13.301
81 HD2 LYS 11 HD1 LYS 11 7.013 1.430 -15.573
82 HD3 LYS 11 HD2 LYS 11 8.663 1.695 -14.911
83 HE2 LYS 11 HE1 LYS 11 8.351 -0.214 -13.308
84 HE3 LYS 11 HE2 LYS 11 6.665 -0.458 -13.914
85 HZ1 LYS 11 HZ1 LYS 11 8.219 -1.979 -14.943
86 HZ2 LYS 11 HZ2 LYS 11 9.155 -0.700 -15.541
87 HZ3 LYS 11 HZ3 LYS 11 7.571 -0.926 -16.099
88 H THR 12 HN THR 12 7.464 6.768 -13.362
89 HA THR 12 HA THR 12 6.580 8.205 -15.540
90 HB THR 12 HB THR 12 7.906 9.332 -13.030
91 HG1 THR 12 HG1 THR 12 6.022 9.059 -12.106
92 HG21 THR 12 HG21 THR 12 6.243 11.199 -13.415
93 HG22 THR 12 HG22 THR 12 5.689 10.402 -14.928
94 HG23 THR 12 HG23 THR 12 7.364 11.069 -14.813
95 H ALA 13 HN ALA 13 9.958 8.208 -14.113
96 HA ALA 13 HA ALA 13 10.982 9.944 -16.079
97 HB1 ALA 13 HB1 ALA 13 12.333 7.683 -14.481
98 HB2 ALA 13 HB2 ALA 13 13.197 9.008 -15.356
99 HB3 ALA 13 HB3 ALA 13 12.147 9.386 -13.943
100 H LEU 14 HN LEU 14 10.850 6.354 -15.990
101 HA LEU 14 HA LEU 14 12.261 5.872 -18.310
102 HB2 LEU 14 HB1 LEU 14 11.762 4.259 -16.464
103 HB3 LEU 14 HB2 LEU 14 10.045 4.240 -16.953
104 HG LEU 14 HG LEU 14 10.721 3.210 -19.167
105 HD11 LEU 14 HD11 LEU 14 13.072 4.027 -19.347
106 HD12 LEU 14 HD12 LEU 14 13.027 2.230 -19.383
107 HD13 LEU 14 HD13 LEU 14 13.527 3.085 -17.879
108 HD21 LEU 14 HD21 LEU 14 11.231 0.961 -18.231
109 HD22 LEU 14 HD22 LEU 14 9.970 1.814 -17.251
110 HD23 LEU 14 HD23 LEU 14 11.676 1.710 -16.652
111 H LYS 15 HN LYS 15 8.680 6.258 -18.030
112 HA LYS 15 HA LYS 15 8.599 6.529 -20.946
113 HB2 LYS 15 HB1 LYS 15 8.390 4.009 -20.066
114 HB3 LYS 15 HB2 LYS 15 6.747 4.523 -19.607
115 HG2 LYS 15 HG1 LYS 15 6.463 3.505 -21.668
116 HG3 LYS 15 HG2 LYS 15 6.447 5.218 -22.133
117 HD2 LYS 15 HD1 LYS 15 8.949 3.365 -22.341
118 HD3 LYS 15 HD2 LYS 15 7.688 3.497 -23.585
119 HE2 LYS 15 HE1 LYS 15 8.957 5.053 -24.582
120 HE3 LYS 15 HE2 LYS 15 8.264 6.174 -23.354
121 HZ1 LYS 15 HZ1 LYS 15 10.524 6.478 -23.286
122 HZ2 LYS 15 HZ2 LYS 15 10.923 4.836 -23.372
123 HZ3 LYS 15 HZ3 LYS 15 10.285 5.505 -21.951
124 H GLY 16 HN GLY 16 7.970 8.189 -18.426
125 HA2 GLY 16 HA1 GLY 16 5.501 9.310 -19.638
126 HA3 GLY 16 HA2 GLY 16 6.146 9.670 -17.990
127 H ALA 17 HN ALA 17 8.336 10.632 -17.910
128 HA ALA 17 HA ALA 17 8.601 12.880 -19.566
129 HB1 ALA 17 HB1 ALA 17 9.499 12.714 -17.227
130 HB2 ALA 17 HB2 ALA 17 10.686 11.474 -17.777
131 HB3 ALA 17 HB3 ALA 17 10.796 13.170 -18.386
132 H ALA 18 HN ALA 18 10.480 9.760 -19.642
133 HA ALA 18 HA ALA 18 11.608 10.539 -22.203
134 HB1 ALA 18 HB1 ALA 18 12.992 9.375 -20.494
135 HB2 ALA 18 HB2 ALA 18 11.900 7.953 -20.579
136 HB3 ALA 18 HB3 ALA 18 12.883 8.433 -22.022
137 H LYS 19 HN LYS 19 8.538 9.868 -21.765
138 HA LYS 19 HA LYS 19 8.417 8.461 -24.365
139 HB2 LYS 19 HB1 LYS 19 6.658 7.669 -22.819
140 HB3 LYS 19 HB2 LYS 19 6.229 9.350 -22.403
141 HG2 LYS 19 HG1 LYS 19 5.435 9.767 -24.708
142 HG3 LYS 19 HG2 LYS 19 5.830 8.089 -25.192
143 HD2 LYS 19 HD1 LYS 19 4.170 7.165 -23.688
144 HD3 LYS 19 HD2 LYS 19 4.030 8.689 -22.767
145 HE2 LYS 19 HE1 LYS 19 3.104 8.414 -25.709
146 HE3 LYS 19 HE2 LYS 19 2.036 8.187 -24.265
147 HZ1 LYS 19 HZ1 LYS 19 2.854 10.497 -23.584
148 HZ2 LYS 19 HZ2 LYS 19 1.841 10.479 -24.953
149 HZ3 LYS 19 HZ3 LYS 19 3.509 10.684 -24.991
150 H GLU 20 HN GLU 20 7.211 11.444 -22.686
151 HA GLU 20 HA GLU 20 6.703 12.817 -25.022
152 HB2 GLU 20 HB1 GLU 20 6.922 13.421 -22.092
153 HB3 GLU 20 HB2 GLU 20 6.934 14.833 -23.193
154 HG2 GLU 20 HG1 GLU 20 4.624 14.086 -22.248
155 HG3 GLU 20 HG2 GLU 20 4.754 14.463 -24.000
156 H LEU 21 HN LEU 21 9.778 12.981 -23.140
157 HA LEU 21 HA LEU 21 10.883 14.910 -24.928
158 HB2 LEU 21 HB1 LEU 21 11.566 14.527 -22.528
159 HB3 LEU 21 HB2 LEU 21 12.230 12.936 -22.995
160 HG LEU 21 HG LEU 21 13.909 14.092 -24.474
161 HD11 LEU 21 HD11 LEU 21 14.261 16.566 -24.230
162 HD12 LEU 21 HD12 LEU 21 12.719 16.691 -23.302
163 HD13 LEU 21 HD13 LEU 21 12.705 16.185 -25.037
164 HD21 LEU 21 HD21 LEU 21 14.468 13.483 -22.121
165 HD22 LEU 21 HD22 LEU 21 13.865 15.090 -21.557
166 HD23 LEU 21 HD23 LEU 21 15.311 14.994 -22.631
167 H ALA 22 HN ALA 22 10.323 11.527 -25.273
168 HA ALA 22 HA ALA 22 12.456 11.214 -27.291
169 HB1 ALA 22 HB1 ALA 22 11.952 8.772 -27.036
170 HB2 ALA 22 HB2 ALA 22 12.357 9.518 -25.445
171 HB3 ALA 22 HB3 ALA 22 10.636 9.178 -25.869
172 H SER 23 HN SER 23 9.385 12.373 -27.233
173 HA SER 23 HA SER 23 7.819 10.633 -28.661
174 HB2 SER 23 HB1 SER 23 6.324 12.657 -29.086
175 HB3 SER 23 HB2 SER 23 6.824 12.443 -27.380
176 HG SER 23 HG1 SER 23 7.959 14.217 -27.475
177 H THR 24 HN THR 24 9.506 13.466 -30.053
178 HA THR 24 HA THR 24 8.726 12.828 -32.740
179 HB THR 24 HB THR 24 11.105 14.495 -31.778
180 HG1 THR 24 HG1 THR 24 8.924 15.183 -31.204
181 HG21 THR 24 HG21 THR 24 9.663 14.320 -34.517
182 HG22 THR 24 HG22 THR 24 11.370 13.829 -34.202
183 HG23 THR 24 HG23 THR 24 10.888 15.556 -34.065
184 H TYR 25 HN TYR 25 11.688 12.139 -30.868
185 HA TYR 25 HA TYR 25 13.154 11.102 -32.995
186 HB2 TYR 25 HB1 TYR 25 13.501 10.561 -29.978
187 HB3 TYR 25 HB2 TYR 25 14.783 10.417 -31.245
188 HD1 TYR 25 HD1 TYR 25 15.028 12.631 -32.766
189 HD2 TYR 25 HD2 TYR 25 13.456 12.554 -28.763
190 HE1 TYR 25 HE1 TYR 25 15.520 15.040 -32.524
191 HE2 TYR 25 HE2 TYR 25 13.950 14.962 -28.524
192 HH TYR 25 HH TYR 25 15.378 16.852 -31.196
193 H LEU 26 HN LEU 26 11.152 9.327 -30.609
194 HA LEU 26 HA LEU 26 11.854 6.804 -31.997
195 HB2 LEU 26 HB1 LEU 26 10.847 7.492 -29.185
196 HB3 LEU 26 HB2 LEU 26 10.697 5.834 -29.841
197 HG LEU 26 HG LEU 26 12.579 5.985 -28.356
198 HD11 LEU 26 HD11 LEU 26 12.624 4.379 -30.287
199 HD12 LEU 26 HD12 LEU 26 14.278 4.888 -29.771
200 HD13 LEU 26 HD13 LEU 26 13.544 5.587 -31.255
201 HD21 LEU 26 HD21 LEU 26 14.629 7.236 -28.763
202 HD22 LEU 26 HD22 LEU 26 13.249 8.407 -28.756
203 HD23 LEU 26 HD23 LEU 26 13.994 7.883 -30.313
204 H HIS 27 HN HIS 27 9.562 9.099 -32.371
205 HA HIS 27 HA HIS 27 7.737 7.216 -33.518
206 HB2 HIS 27 HB1 HIS 27 7.001 7.119 -31.085
207 HB3 HIS 27 HB2 HIS 27 6.705 8.886 -31.132
208 HD2 HIS 27 HD2 HIS 27 5.300 7.266 -34.378
209 HE1 HIS 27 HE1 HIS 27 2.205 7.363 -31.484
210 HE2 HIS 27 HE2 HIS 27 2.781 7.002 -33.951
Start of MODEL 17
1 H1 GLY 1 HN GLY 1 0.833 0.062 -0.018
2 HA2 GLY 1 HA1 GLY 1 0.821 2.014 -1.585
3 HA3 GLY 1 HA2 GLY 1 1.390 2.436 0.082
4 H ILE 2 HN ILE 2 3.784 0.735 -0.554
5 HA ILE 2 HA ILE 2 5.561 2.809 -1.006
6 HB ILE 2 HB ILE 2 6.107 0.818 0.255
7 HG12 ILE 2 HG11 ILE 2 8.061 1.199 -2.093
8 HG13 ILE 2 HG12 ILE 2 7.872 2.341 -0.723
9 HG21 ILE 2 HG21 ILE 2 6.660 -1.329 -0.814
10 HG22 ILE 2 HG22 ILE 2 4.980 -0.890 -1.252
11 HG23 ILE 2 HG23 ILE 2 6.322 -0.673 -2.448
12 HD11 ILE 2 HD1 ILE 2 8.771 -0.613 -0.504
13 HD12 ILE 2 HD2 ILE 2 9.801 0.845 -0.303
14 HD13 ILE 2 HD3 ILE 2 8.502 0.492 0.892
15 H GLY 3 HN GLY 3 4.263 0.549 -3.395
16 HA2 GLY 3 HA1 GLY 3 5.915 1.186 -5.573
17 HA3 GLY 3 HA2 GLY 3 4.207 0.638 -5.651
18 H GLY 4 HN GLY 4 3.182 3.023 -4.232
19 HA2 GLY 4 HA1 GLY 4 3.003 4.799 -6.517
20 HA3 GLY 4 HA2 GLY 4 2.166 4.919 -4.930
21 H LYS 5 HN LYS 5 5.202 4.533 -3.968
22 HA LYS 5 HA LYS 5 5.909 7.388 -4.192
23 HB2 LYS 5 HB1 LYS 5 5.820 6.300 -1.906
24 HB3 LYS 5 HB2 LYS 5 7.096 5.170 -2.425
25 HG2 LYS 5 HG1 LYS 5 8.080 6.906 -1.067
26 HG3 LYS 5 HG2 LYS 5 8.673 7.127 -2.744
27 HD2 LYS 5 HD1 LYS 5 7.073 8.965 -3.137
28 HD3 LYS 5 HD2 LYS 5 6.300 8.718 -1.550
29 HE2 LYS 5 HE1 LYS 5 9.242 9.616 -1.989
30 HE3 LYS 5 HE2 LYS 5 7.855 10.726 -1.651
31 HZ1 LYS 5 HZ1 LYS 5 7.505 9.576 0.438
32 HZ2 LYS 5 HZ2 LYS 5 9.079 10.197 0.348
33 HZ3 LYS 5 HZ3 LYS 5 8.807 8.537 0.132
34 H ILE 6 HN ILE 6 7.429 4.097 -4.547
35 HA ILE 6 HA ILE 6 9.706 5.251 -5.770
36 HB ILE 6 HB ILE 6 10.577 3.048 -6.109
37 HG12 ILE 6 HG11 ILE 6 7.867 2.016 -5.066
38 HG13 ILE 6 HG12 ILE 6 8.483 1.824 -6.743
39 HG21 ILE 6 HG21 ILE 6 10.679 4.306 -3.907
40 HG22 ILE 6 HG22 ILE 6 9.230 3.384 -3.345
41 HG23 ILE 6 HG23 ILE 6 10.764 2.524 -3.713
42 HD11 ILE 6 HD1 ILE 6 8.857 -0.266 -5.515
43 HD12 ILE 6 HD2 ILE 6 10.452 0.501 -5.846
44 HD13 ILE 6 HD3 ILE 6 9.727 0.592 -4.199
45 H LEU 7 HN LEU 7 6.865 3.613 -7.360
46 HA LEU 7 HA LEU 7 8.259 3.599 -9.867
47 HB2 LEU 7 HB1 LEU 7 5.288 3.178 -9.272
48 HB3 LEU 7 HB2 LEU 7 6.096 2.843 -10.833
49 HG LEU 7 HG LEU 7 6.686 1.431 -8.165
50 HD11 LEU 7 HD11 LEU 7 5.193 0.449 -10.676
51 HD12 LEU 7 HD12 LEU 7 4.447 0.880 -9.093
52 HD13 LEU 7 HD13 LEU 7 5.566 -0.530 -9.209
53 HD21 LEU 7 HD21 LEU 7 7.770 0.870 -11.004
54 HD22 LEU 7 HD22 LEU 7 7.995 -0.194 -9.568
55 HD23 LEU 7 HD23 LEU 7 8.734 1.444 -9.583
56 H SER 8 HN SER 8 6.315 5.891 -8.161
57 HA SER 8 HA SER 8 5.528 7.522 -10.284
58 HB2 SER 8 HB1 SER 8 6.060 8.230 -7.346
59 HB3 SER 8 HB2 SER 8 5.117 9.234 -8.517
60 HG SER 8 HG1 SER 8 3.994 7.577 -7.064
61 H GLY 9 HN GLY 9 8.675 7.110 -8.861
62 HA2 GLY 9 HA1 GLY 9 9.616 9.320 -10.638
63 HA3 GLY 9 HA2 GLY 9 10.574 8.515 -9.352
64 H LEU 10 HN LEU 10 10.178 5.863 -9.817
65 HA LEU 10 HA LEU 10 12.127 5.461 -11.717
66 HB2 LEU 10 HB1 LEU 10 11.719 4.239 -9.597
67 HB3 LEU 10 HB2 LEU 10 10.311 3.420 -10.308
68 HG LEU 10 HG LEU 10 12.520 2.160 -10.035
69 HD11 LEU 10 HD11 LEU 10 12.246 0.774 -12.022
70 HD12 LEU 10 HD12 LEU 10 11.289 2.066 -12.843
71 HD13 LEU 10 HD13 LEU 10 10.643 1.256 -11.359
72 HD21 LEU 10 HD21 LEU 10 14.259 2.309 -11.752
73 HD22 LEU 10 HD22 LEU 10 14.077 3.892 -10.920
74 HD23 LEU 10 HD23 LEU 10 13.403 3.660 -12.578
75 H LYS 11 HN LYS 11 8.592 5.017 -12.185
76 HA LYS 11 HA LYS 11 9.201 4.244 -14.989
77 HB2 LYS 11 HB1 LYS 11 6.847 3.606 -13.171
78 HB3 LYS 11 HB2 LYS 11 6.748 3.429 -14.948
79 HG2 LYS 11 HG1 LYS 11 8.890 2.003 -13.245
80 HG3 LYS 11 HG2 LYS 11 7.294 1.316 -13.636
81 HD2 LYS 11 HD1 LYS 11 7.993 0.558 -15.580
82 HD3 LYS 11 HD2 LYS 11 8.328 2.198 -16.175
83 HE2 LYS 11 HE1 LYS 11 10.367 0.520 -14.533
84 HE3 LYS 11 HE2 LYS 11 10.232 0.445 -16.331
85 HZ1 LYS 11 HZ1 LYS 11 10.865 2.914 -14.767
86 HZ2 LYS 11 HZ2 LYS 11 10.675 2.810 -16.426
87 HZ3 LYS 11 HZ3 LYS 11 11.936 1.983 -15.678
88 H THR 12 HN THR 12 7.673 6.784 -12.988
89 HA THR 12 HA THR 12 6.437 8.026 -15.183
90 HB THR 12 HB THR 12 7.809 9.436 -12.858
91 HG1 THR 12 HG1 THR 12 5.928 9.223 -11.877
92 HG21 THR 12 HG21 THR 12 7.102 10.991 -14.749
93 HG22 THR 12 HG22 THR 12 6.031 11.176 -13.323
94 HG23 THR 12 HG23 THR 12 5.468 10.229 -14.743
95 H ALA 13 HN ALA 13 9.861 8.464 -13.940
96 HA ALA 13 HA ALA 13 10.524 10.148 -16.132
97 HB1 ALA 13 HB1 ALA 13 12.306 8.486 -14.246
98 HB2 ALA 13 HB2 ALA 13 12.873 9.806 -15.344
99 HB3 ALA 13 HB3 ALA 13 11.766 10.179 -13.979
100 H LEU 14 HN LEU 14 11.209 6.673 -15.472
101 HA LEU 14 HA LEU 14 12.113 6.402 -18.254
102 HB2 LEU 14 HB1 LEU 14 13.622 5.736 -16.421
103 HB3 LEU 14 HB2 LEU 14 12.449 4.510 -15.885
104 HG LEU 14 HG LEU 14 12.743 3.336 -18.135
105 HD11 LEU 14 HD11 LEU 14 13.425 5.248 -19.578
106 HD12 LEU 14 HD12 LEU 14 14.697 3.981 -19.572
107 HD13 LEU 14 HD13 LEU 14 14.921 5.473 -18.595
108 HD21 LEU 14 HD21 LEU 14 14.112 2.686 -16.107
109 HD22 LEU 14 HD22 LEU 14 15.369 3.873 -16.610
110 HD23 LEU 14 HD23 LEU 14 15.016 2.456 -17.654
111 H LYS 15 HN LYS 15 9.697 6.846 -18.486
112 HA LYS 15 HA LYS 15 9.060 5.043 -20.321
113 HB2 LYS 15 HB1 LYS 15 8.203 3.360 -18.705
114 HB3 LYS 15 HB2 LYS 15 7.140 4.594 -17.962
115 HG2 LYS 15 HG1 LYS 15 5.818 3.100 -19.377
116 HG3 LYS 15 HG2 LYS 15 5.807 4.757 -20.048
117 HD2 LYS 15 HD1 LYS 15 7.758 3.958 -21.613
118 HD3 LYS 15 HD2 LYS 15 7.332 2.297 -21.129
119 HE2 LYS 15 HE1 LYS 15 5.501 4.405 -22.508
120 HE3 LYS 15 HE2 LYS 15 6.312 3.015 -23.328
121 HZ1 LYS 15 HZ1 LYS 15 4.009 2.550 -22.821
122 HZ2 LYS 15 HZ2 LYS 15 4.273 2.820 -21.167
123 HZ3 LYS 15 HZ3 LYS 15 5.027 1.514 -21.948
124 H GLY 16 HN GLY 16 7.452 7.269 -17.964
125 HA2 GLY 16 HA1 GLY 16 5.693 8.346 -19.962
126 HA3 GLY 16 HA2 GLY 16 6.055 9.003 -18.325
127 H ALA 17 HN ALA 17 8.235 10.077 -18.121
128 HA ALA 17 HA ALA 17 8.433 12.212 -19.872
129 HB1 ALA 17 HB1 ALA 17 10.431 12.850 -18.623
130 HB2 ALA 17 HB2 ALA 17 9.199 12.213 -17.486
131 HB3 ALA 17 HB3 ALA 17 10.608 11.176 -17.967
132 H ALA 18 HN ALA 18 10.392 9.212 -19.752
133 HA ALA 18 HA ALA 18 12.085 9.643 -21.864
134 HB1 ALA 18 HB1 ALA 18 12.101 7.157 -22.126
135 HB2 ALA 18 HB2 ALA 18 12.093 7.628 -20.388
136 HB3 ALA 18 HB3 ALA 18 10.569 7.053 -21.171
137 H LYS 19 HN LYS 19 8.622 8.548 -22.245
138 HA LYS 19 HA LYS 19 8.849 8.443 -25.097
139 HB2 LYS 19 HB1 LYS 19 7.096 7.337 -23.441
140 HB3 LYS 19 HB2 LYS 19 6.196 8.854 -23.636
141 HG2 LYS 19 HG1 LYS 19 7.044 6.798 -25.792
142 HG3 LYS 19 HG2 LYS 19 5.396 7.025 -25.139
143 HD2 LYS 19 HD1 LYS 19 6.945 8.939 -26.991
144 HD3 LYS 19 HD2 LYS 19 5.593 7.866 -27.429
145 HE2 LYS 19 HE1 LYS 19 4.030 9.172 -25.963
146 HE3 LYS 19 HE2 LYS 19 5.369 10.306 -25.525
147 HZ1 LYS 19 HZ1 LYS 19 4.516 9.783 -28.330
148 HZ2 LYS 19 HZ2 LYS 19 5.513 11.015 -27.794
149 HZ3 LYS 19 HZ3 LYS 19 3.895 11.039 -27.391
150 H GLU 20 HN GLU 20 7.778 10.923 -22.752
151 HA GLU 20 HA GLU 20 6.737 12.801 -24.532
152 HB2 GLU 20 HB1 GLU 20 6.418 12.554 -22.062
153 HB3 GLU 20 HB2 GLU 20 8.126 12.994 -21.806
154 HG2 GLU 20 HG1 GLU 20 7.693 15.329 -22.567
155 HG3 GLU 20 HG2 GLU 20 5.963 14.904 -22.921
156 H LEU 21 HN LEU 21 10.034 12.671 -23.072
157 HA LEU 21 HA LEU 21 11.120 14.796 -24.518
158 HB2 LEU 21 HB1 LEU 21 11.929 13.813 -22.372
159 HB3 LEU 21 HB2 LEU 21 12.450 12.336 -23.217
160 HG LEU 21 HG LEU 21 14.225 14.001 -22.511
161 HD11 LEU 21 HD11 LEU 21 14.306 13.430 -25.530
162 HD12 LEU 21 HD12 LEU 21 14.679 12.232 -24.231
163 HD13 LEU 21 HD13 LEU 21 15.689 13.714 -24.424
164 HD21 LEU 21 HD21 LEU 21 13.257 15.709 -24.883
165 HD22 LEU 21 HD22 LEU 21 14.690 16.015 -23.839
166 HD23 LEU 21 HD23 LEU 21 13.029 16.113 -23.139
167 H ALA 22 HN ALA 22 11.100 11.269 -25.265
168 HA ALA 22 HA ALA 22 12.690 11.759 -27.641
169 HB1 ALA 22 HB1 ALA 22 12.697 9.289 -27.840
170 HB2 ALA 22 HB2 ALA 22 13.098 9.779 -26.153
171 HB3 ALA 22 HB3 ALA 22 11.449 9.174 -26.541
172 H SER 23 HN SER 23 9.620 12.506 -27.197
173 HA SER 23 HA SER 23 8.069 10.876 -28.764
174 HB2 SER 23 HB1 SER 23 7.272 12.680 -27.138
175 HB3 SER 23 HB2 SER 23 7.561 13.894 -28.410
176 HG SER 23 HG1 SER 23 5.976 12.951 -29.626
177 H THR 24 HN THR 24 9.839 13.800 -29.876
178 HA THR 24 HA THR 24 8.813 13.870 -32.454
179 HB THR 24 HB THR 24 11.644 14.697 -31.673
180 HG1 THR 24 HG1 THR 24 10.651 16.619 -31.014
181 HG21 THR 24 HG21 THR 24 10.928 15.040 -34.093
182 HG22 THR 24 HG22 THR 24 11.117 16.608 -33.241
183 HG23 THR 24 HG23 THR 24 9.470 15.930 -33.522
184 H TYR 25 HN TYR 25 11.226 11.734 -31.066
185 HA TYR 25 HA TYR 25 12.385 11.190 -33.732
186 HB2 TYR 25 HB1 TYR 25 13.596 10.456 -31.000
187 HB3 TYR 25 HB2 TYR 25 14.441 10.628 -32.584
188 HD1 TYR 25 HD1 TYR 25 14.201 13.096 -33.664
189 HD2 TYR 25 HD2 TYR 25 13.705 12.171 -29.501
190 HE1 TYR 25 HE1 TYR 25 14.571 15.482 -33.083
191 HE2 TYR 25 HE2 TYR 25 14.038 14.549 -28.921
192 HH TYR 25 HH TYR 25 14.467 16.608 -29.692
193 H LEU 26 HN LEU 26 11.100 9.569 -30.797
194 HA LEU 26 HA LEU 26 11.197 6.974 -32.213
195 HB2 LEU 26 HB1 LEU 26 11.162 7.814 -29.266
196 HB3 LEU 26 HB2 LEU 26 10.677 6.161 -29.751
197 HG LEU 26 HG LEU 26 12.933 6.165 -28.941
198 HD11 LEU 26 HD11 LEU 26 14.005 4.884 -30.748
199 HD12 LEU 26 HD12 LEU 26 12.912 5.614 -31.972
200 HD13 LEU 26 HD13 LEU 26 12.238 4.520 -30.706
201 HD21 LEU 26 HD21 LEU 26 13.802 7.901 -31.324
202 HD22 LEU 26 HD22 LEU 26 14.847 7.194 -30.048
203 HD23 LEU 26 HD23 LEU 26 13.664 8.490 -29.621
204 H HIS 27 HN HIS 27 9.085 9.396 -32.120
205 HA HIS 27 HA HIS 27 6.910 7.547 -32.536
206 HB2 HIS 27 HB1 HIS 27 6.802 7.977 -30.018
207 HB3 HIS 27 HB2 HIS 27 6.552 9.720 -30.377
208 HD2 HIS 27 HD2 HIS 27 4.450 7.473 -32.778
209 HE1 HIS 27 HE1 HIS 27 1.984 8.512 -29.503
210 HE2 HIS 27 HE2 HIS 27 2.067 7.522 -31.850
Start of MODEL 18
1 H1 GLY 1 HN GLY 1 1.776 -1.065 -0.139
2 HA2 GLY 1 HA1 GLY 1 1.219 0.951 -1.537
3 HA3 GLY 1 HA2 GLY 1 1.682 1.339 0.171
4 H ILE 2 HN ILE 2 4.448 0.495 -0.428
5 HA ILE 2 HA ILE 2 5.475 3.051 -0.884
6 HB ILE 2 HB ILE 2 7.664 2.176 -0.666
7 HG12 ILE 2 HG11 ILE 2 7.635 0.183 -2.110
8 HG13 ILE 2 HG12 ILE 2 8.277 -0.139 -0.483
9 HG21 ILE 2 HG21 ILE 2 7.445 1.126 1.554
10 HG22 ILE 2 HG22 ILE 2 6.239 2.447 1.358
11 HG23 ILE 2 HG23 ILE 2 5.723 0.725 1.251
12 HD11 ILE 2 HD1 ILE 2 6.098 -1.242 0.181
13 HD12 ILE 2 HD2 ILE 2 5.489 -1.009 -1.504
14 HD13 ILE 2 HD3 ILE 2 6.919 -2.044 -1.194
15 H GLY 3 HN GLY 3 4.726 0.592 -3.148
16 HA2 GLY 3 HA1 GLY 3 6.340 1.296 -5.346
17 HA3 GLY 3 HA2 GLY 3 4.686 0.593 -5.404
18 H GLY 4 HN GLY 4 3.447 2.902 -4.033
19 HA2 GLY 4 HA1 GLY 4 3.101 4.616 -6.333
20 HA3 GLY 4 HA2 GLY 4 2.304 4.719 -4.725
21 H LYS 5 HN LYS 5 5.408 4.585 -3.883
22 HA LYS 5 HA LYS 5 5.893 7.484 -4.203
23 HB2 LYS 5 HB1 LYS 5 5.900 6.427 -1.886
24 HB3 LYS 5 HB2 LYS 5 7.323 5.469 -2.376
25 HG2 LYS 5 HG1 LYS 5 8.583 7.639 -2.793
26 HG3 LYS 5 HG2 LYS 5 7.116 8.548 -2.294
27 HD2 LYS 5 HD1 LYS 5 7.243 7.342 -0.018
28 HD3 LYS 5 HD2 LYS 5 8.739 6.555 -0.578
29 HE2 LYS 5 HE1 LYS 5 9.381 8.395 0.881
30 HE3 LYS 5 HE2 LYS 5 9.846 8.844 -0.807
31 HZ1 LYS 5 HZ1 LYS 5 8.768 10.658 0.358
32 HZ2 LYS 5 HZ2 LYS 5 7.388 9.720 0.641
33 HZ3 LYS 5 HZ3 LYS 5 7.808 10.146 -0.944
34 H ILE 6 HN ILE 6 7.675 4.309 -4.402
35 HA ILE 6 HA ILE 6 9.823 5.555 -5.745
36 HB ILE 6 HB ILE 6 10.847 3.401 -5.994
37 HG12 ILE 6 HG11 ILE 6 8.250 2.235 -4.813
38 HG13 ILE 6 HG12 ILE 6 8.813 2.010 -6.504
39 HG21 ILE 6 HG21 ILE 6 10.908 4.781 -3.866
40 HG22 ILE 6 HG22 ILE 6 9.539 3.794 -3.219
41 HG23 ILE 6 HG23 ILE 6 11.122 3.022 -3.580
42 HD11 ILE 6 HD1 ILE 6 10.242 0.992 -3.963
43 HD12 ILE 6 HD2 ILE 6 9.384 0.010 -5.197
44 HD13 ILE 6 HD3 ILE 6 10.905 0.871 -5.634
45 H LEU 7 HN LEU 7 7.068 3.670 -7.189
46 HA LEU 7 HA LEU 7 8.420 3.648 -9.732
47 HB2 LEU 7 HB1 LEU 7 5.502 3.019 -9.063
48 HB3 LEU 7 HB2 LEU 7 6.313 2.674 -10.617
49 HG LEU 7 HG LEU 7 7.033 1.439 -7.891
50 HD11 LEU 7 HD11 LEU 7 4.832 0.686 -8.752
51 HD12 LEU 7 HD12 LEU 7 6.041 -0.648 -8.818
52 HD13 LEU 7 HD13 LEU 7 5.577 0.230 -10.326
53 HD21 LEU 7 HD21 LEU 7 8.449 -0.151 -9.207
54 HD22 LEU 7 HD22 LEU 7 9.055 1.536 -9.343
55 HD23 LEU 7 HD23 LEU 7 8.116 0.798 -10.709
56 H SER 8 HN SER 8 6.302 5.832 -8.052
57 HA SER 8 HA SER 8 5.367 7.306 -10.246
58 HB2 SER 8 HB1 SER 8 5.809 8.182 -7.336
59 HB3 SER 8 HB2 SER 8 4.760 9.017 -8.549
60 HG SER 8 HG1 SER 8 3.817 7.352 -7.012
61 H GLY 9 HN GLY 9 8.512 7.225 -8.770
62 HA2 GLY 9 HA1 GLY 9 9.276 9.536 -10.500
63 HA3 GLY 9 HA2 GLY 9 10.284 8.763 -9.233
64 H LEU 10 HN LEU 10 10.162 6.090 -9.801
65 HA LEU 10 HA LEU 10 12.071 6.007 -11.819
66 HB2 LEU 10 HB1 LEU 10 11.953 4.602 -9.790
67 HB3 LEU 10 HB2 LEU 10 10.538 3.733 -10.427
68 HG LEU 10 HG LEU 10 12.805 2.581 -10.467
69 HD11 LEU 10 HD11 LEU 10 12.491 1.379 -12.541
70 HD12 LEU 10 HD12 LEU 10 11.493 2.703 -13.241
71 HD13 LEU 10 HD13 LEU 10 10.871 1.762 -11.817
72 HD21 LEU 10 HD21 LEU 10 14.429 3.025 -12.251
73 HD22 LEU 10 HD22 LEU 10 14.198 4.503 -11.253
74 HD23 LEU 10 HD23 LEU 10 13.438 4.384 -12.884
75 H LYS 11 HN LYS 11 8.620 4.866 -12.055
76 HA LYS 11 HA LYS 11 9.178 3.982 -14.794
77 HB2 LYS 11 HB1 LYS 11 6.711 3.817 -12.997
78 HB3 LYS 11 HB2 LYS 11 6.668 3.376 -14.727
79 HG2 LYS 11 HG1 LYS 11 8.526 2.041 -12.669
80 HG3 LYS 11 HG2 LYS 11 6.916 1.424 -13.181
81 HD2 LYS 11 HD1 LYS 11 7.718 1.440 -15.589
82 HD3 LYS 11 HD2 LYS 11 9.370 1.805 -15.029
83 HE2 LYS 11 HE1 LYS 11 7.715 -0.724 -14.296
84 HE3 LYS 11 HE2 LYS 11 8.992 -0.638 -15.572
85 HZ1 LYS 11 HZ1 LYS 11 9.866 -1.523 -13.534
86 HZ2 LYS 11 HZ2 LYS 11 9.380 -0.150 -12.662
87 HZ3 LYS 11 HZ3 LYS 11 10.580 -0.019 -13.854
88 H THR 12 HN THR 12 7.708 6.730 -13.092
89 HA THR 12 HA THR 12 6.576 7.963 -15.325
90 HB THR 12 HB THR 12 7.975 9.320 -12.976
91 HG1 THR 12 HG1 THR 12 6.096 9.124 -11.990
92 HG21 THR 12 HG21 THR 12 7.348 10.905 -14.869
93 HG22 THR 12 HG22 THR 12 6.269 11.127 -13.451
94 HG23 THR 12 HG23 THR 12 5.684 10.207 -14.880
95 H ALA 13 HN ALA 13 9.991 8.220 -14.053
96 HA ALA 13 HA ALA 13 10.871 9.804 -16.209
97 HB1 ALA 13 HB1 ALA 13 12.077 9.584 -14.037
98 HB2 ALA 13 HB2 ALA 13 12.393 7.849 -14.378
99 HB3 ALA 13 HB3 ALA 13 13.149 9.128 -15.409
100 H LEU 14 HN LEU 14 11.061 6.232 -15.724
101 HA LEU 14 HA LEU 14 12.439 5.731 -18.090
102 HB2 LEU 14 HB1 LEU 14 12.325 4.268 -16.050
103 HB3 LEU 14 HB2 LEU 14 10.634 3.859 -16.462
104 HG LEU 14 HG LEU 14 11.456 2.780 -18.600
105 HD11 LEU 14 HD11 LEU 14 13.559 4.050 -18.992
106 HD12 LEU 14 HD12 LEU 14 13.914 2.297 -18.846
107 HD13 LEU 14 HD13 LEU 14 14.262 3.398 -17.466
108 HD21 LEU 14 HD21 LEU 14 12.804 1.768 -16.020
109 HD22 LEU 14 HD22 LEU 14 12.504 0.797 -17.507
110 HD23 LEU 14 HD23 LEU 14 11.104 1.420 -16.548
111 H LYS 15 HN LYS 15 8.900 5.916 -17.592
112 HA LYS 15 HA LYS 15 8.708 5.464 -20.482
113 HB2 LYS 15 HB1 LYS 15 7.649 3.639 -19.034
114 HB3 LYS 15 HB2 LYS 15 6.362 4.838 -18.719
115 HG2 LYS 15 HG1 LYS 15 5.697 3.440 -20.565
116 HG3 LYS 15 HG2 LYS 15 6.015 5.048 -21.254
117 HD2 LYS 15 HD1 LYS 15 8.103 2.743 -21.336
118 HD3 LYS 15 HD2 LYS 15 6.757 2.881 -22.486
119 HE2 LYS 15 HE1 LYS 15 8.086 4.035 -23.852
120 HE3 LYS 15 HE2 LYS 15 7.807 5.437 -22.758
121 HZ1 LYS 15 HZ1 LYS 15 9.876 4.693 -21.542
122 HZ2 LYS 15 HZ2 LYS 15 10.116 5.175 -23.137
123 HZ3 LYS 15 HZ3 LYS 15 10.108 3.531 -22.742
124 H GLY 16 HN GLY 16 6.805 7.336 -18.032
125 HA2 GLY 16 HA1 GLY 16 5.499 8.823 -19.997
126 HA3 GLY 16 HA2 GLY 16 5.837 9.352 -18.315
127 H ALA 17 HN ALA 17 8.306 10.117 -18.098
128 HA ALA 17 HA ALA 17 8.486 12.425 -19.708
129 HB1 ALA 17 HB1 ALA 17 10.665 12.792 -18.548
130 HB2 ALA 17 HB2 ALA 17 9.416 12.233 -17.378
131 HB3 ALA 17 HB3 ALA 17 10.659 11.076 -17.988
132 H ALA 18 HN ALA 18 10.324 9.403 -19.817
133 HA ALA 18 HA ALA 18 11.923 9.799 -21.980
134 HB1 ALA 18 HB1 ALA 18 11.994 7.311 -22.113
135 HB2 ALA 18 HB2 ALA 18 12.096 7.905 -20.424
136 HB3 ALA 18 HB3 ALA 18 10.533 7.246 -21.032
137 H LYS 19 HN LYS 19 8.523 8.506 -22.308
138 HA LYS 19 HA LYS 19 8.592 8.910 -25.133
139 HB2 LYS 19 HB1 LYS 19 6.912 7.485 -23.700
140 HB3 LYS 19 HB2 LYS 19 6.100 9.038 -23.386
141 HG2 LYS 19 HG1 LYS 19 6.187 9.259 -26.096
142 HG3 LYS 19 HG2 LYS 19 6.537 7.525 -26.031
143 HD2 LYS 19 HD1 LYS 19 4.299 7.264 -26.135
144 HD3 LYS 19 HD2 LYS 19 4.259 7.670 -24.392
145 HE2 LYS 19 HE1 LYS 19 3.940 9.660 -26.769
146 HE3 LYS 19 HE2 LYS 19 2.577 8.973 -25.812
147 HZ1 LYS 19 HZ1 LYS 19 4.663 10.246 -24.229
148 HZ2 LYS 19 HZ2 LYS 19 2.988 10.344 -24.122
149 HZ3 LYS 19 HZ3 LYS 19 3.832 11.292 -25.208
150 H GLU 20 HN GLU 20 7.416 11.233 -22.505
151 HA GLU 20 HA GLU 20 6.488 13.044 -24.411
152 HB2 GLU 20 HB1 GLU 20 7.145 13.008 -21.513
153 HB3 GLU 20 HB2 GLU 20 7.305 14.638 -22.234
154 HG2 GLU 20 HG1 GLU 20 5.008 14.061 -21.187
155 HG3 GLU 20 HG2 GLU 20 5.003 14.757 -22.848
156 H LEU 21 HN LEU 21 9.817 12.832 -23.126
157 HA LEU 21 HA LEU 21 10.789 14.904 -24.785
158 HB2 LEU 21 HB1 LEU 21 11.857 13.871 -22.724
159 HB3 LEU 21 HB2 LEU 21 12.251 12.415 -23.667
160 HG LEU 21 HG LEU 21 13.240 15.210 -24.482
161 HD11 LEU 21 HD11 LEU 21 13.850 14.869 -22.092
162 HD12 LEU 21 HD12 LEU 21 15.307 14.802 -23.152
163 HD13 LEU 21 HD13 LEU 21 14.599 13.276 -22.500
164 HD21 LEU 21 HD21 LEU 21 14.393 12.377 -24.957
165 HD22 LEU 21 HD22 LEU 21 15.210 13.920 -25.406
166 HD23 LEU 21 HD23 LEU 21 13.672 13.468 -26.205
167 H ALA 22 HN ALA 22 10.527 11.327 -25.375
168 HA ALA 22 HA ALA 22 11.935 11.718 -27.877
169 HB1 ALA 22 HB1 ALA 22 12.504 9.852 -26.315
170 HB2 ALA 22 HB2 ALA 22 10.876 9.142 -26.615
171 HB3 ALA 22 HB3 ALA 22 12.066 9.279 -27.965
172 H SER 23 HN SER 23 8.630 12.069 -27.296
173 HA SER 23 HA SER 23 7.653 10.563 -29.496
174 HB2 SER 23 HB1 SER 23 6.463 12.777 -27.823
175 HB3 SER 23 HB2 SER 23 5.695 12.440 -29.409
176 HG SER 23 HG1 SER 23 5.479 10.284 -28.819
177 H THR 24 HN THR 24 9.529 13.466 -29.591
178 HA THR 24 HA THR 24 8.668 14.089 -32.299
179 HB THR 24 HB THR 24 9.468 15.930 -31.049
180 HG1 THR 24 HG1 THR 24 10.257 15.652 -33.303
181 HG21 THR 24 HG21 THR 24 12.045 14.288 -30.612
182 HG22 THR 24 HG22 THR 24 10.867 14.802 -29.337
183 HG23 THR 24 HG23 THR 24 11.846 16.024 -30.209
184 H TYR 25 HN TYR 25 10.809 11.693 -30.887
185 HA TYR 25 HA TYR 25 12.177 11.354 -33.501
186 HB2 TYR 25 HB1 TYR 25 13.021 10.356 -30.707
187 HB3 TYR 25 HB2 TYR 25 14.010 10.300 -32.216
188 HD1 TYR 25 HD1 TYR 25 13.795 12.981 -33.359
189 HD2 TYR 25 HD2 TYR 25 14.046 11.780 -29.233
190 HE1 TYR 25 HE1 TYR 25 14.748 15.175 -32.778
191 HE2 TYR 25 HE2 TYR 25 15.013 13.992 -28.659
192 HH TYR 25 HH TYR 25 15.451 16.522 -31.128
193 H LEU 26 HN LEU 26 10.532 9.548 -30.885
194 HA LEU 26 HA LEU 26 10.432 7.141 -32.605
195 HB2 LEU 26 HB1 LEU 26 10.566 7.510 -29.545
196 HB3 LEU 26 HB2 LEU 26 10.023 5.979 -30.298
197 HG LEU 26 HG LEU 26 12.238 5.684 -29.572
198 HD11 LEU 26 HD11 LEU 26 12.306 5.942 -32.640
199 HD12 LEU 26 HD12 LEU 26 11.552 4.584 -31.725
200 HD13 LEU 26 HD13 LEU 26 13.331 4.873 -31.623
201 HD21 LEU 26 HD21 LEU 26 13.255 7.929 -31.398
202 HD22 LEU 26 HD22 LEU 26 14.216 6.891 -30.295
203 HD23 LEU 26 HD23 LEU 26 13.046 8.085 -29.607
204 H HIS 27 HN HIS 27 8.675 9.627 -32.184
205 HA HIS 27 HA HIS 27 6.502 10.172 -32.023
206 HB2 HIS 27 HB1 HIS 27 6.330 7.776 -33.882
207 HB3 HIS 27 HB2 HIS 27 5.323 9.280 -33.923
208 HD2 HIS 27 HD2 HIS 27 7.191 11.715 -34.156
209 HE1 HIS 27 HE1 HIS 27 10.254 9.330 -35.862
210 HE2 HIS 27 HE2 HIS 27 9.538 11.696 -35.212
Start of MODEL 19
1 H1 GLY 1 HN GLY 1 1.107 -0.048 0.195
2 HA2 GLY 1 HA1 GLY 1 0.933 1.850 -1.425
3 HA3 GLY 1 HA2 GLY 1 1.445 2.369 0.233
4 H ILE 2 HN ILE 2 3.982 0.835 -0.394
5 HA ILE 2 HA ILE 2 5.588 3.043 -0.912
6 HB ILE 2 HB ILE 2 6.315 1.132 0.386
7 HG12 ILE 2 HG11 ILE 2 8.191 1.591 -2.010
8 HG13 ILE 2 HG12 ILE 2 7.930 2.770 -0.683
9 HG21 ILE 2 HG21 ILE 2 6.600 -0.405 -2.284
10 HG22 ILE 2 HG22 ILE 2 7.022 -0.989 -0.643
11 HG23 ILE 2 HG23 ILE 2 5.305 -0.698 -1.054
12 HD11 ILE 2 HD1 ILE 2 8.739 1.043 0.991
13 HD12 ILE 2 HD2 ILE 2 9.068 -0.091 -0.365
14 HD13 ILE 2 HD3 ILE 2 9.986 1.447 -0.244
15 H GLY 3 HN GLY 3 4.427 0.628 -3.186
16 HA2 GLY 3 HA1 GLY 3 5.922 1.248 -5.465
17 HA3 GLY 3 HA2 GLY 3 4.235 0.633 -5.425
18 H GLY 4 HN GLY 4 3.241 3.029 -4.014
19 HA2 GLY 4 HA1 GLY 4 2.633 4.590 -6.341
20 HA3 GLY 4 HA2 GLY 4 2.048 4.804 -4.654
21 H LYS 5 HN LYS 5 5.284 4.756 -4.278
22 HA LYS 5 HA LYS 5 5.689 7.484 -5.350
23 HB2 LYS 5 HB1 LYS 5 6.843 8.309 -3.436
24 HB3 LYS 5 HB2 LYS 5 5.206 7.758 -3.015
25 HG2 LYS 5 HG1 LYS 5 6.293 6.986 -1.211
26 HG3 LYS 5 HG2 LYS 5 6.414 5.512 -2.215
27 HD2 LYS 5 HD1 LYS 5 8.746 6.079 -2.833
28 HD3 LYS 5 HD2 LYS 5 8.622 7.690 -2.087
29 HE2 LYS 5 HE1 LYS 5 8.483 5.012 -0.525
30 HE3 LYS 5 HE2 LYS 5 9.965 6.031 -0.714
31 HZ1 LYS 5 HZ1 LYS 5 8.837 6.472 1.367
32 HZ2 LYS 5 HZ2 LYS 5 7.411 6.898 0.556
33 HZ3 LYS 5 HZ3 LYS 5 8.803 7.842 0.374
34 H ILE 6 HN ILE 6 7.247 4.288 -4.666
35 HA ILE 6 HA ILE 6 9.674 5.262 -5.832
36 HB ILE 6 HB ILE 6 10.526 3.055 -5.915
37 HG12 ILE 6 HG11 ILE 6 7.774 2.108 -4.920
38 HG13 ILE 6 HG12 ILE 6 8.458 1.784 -6.551
39 HG21 ILE 6 HG21 ILE 6 9.040 3.632 -3.269
40 HG22 ILE 6 HG22 ILE 6 10.584 2.730 -3.476
41 HG23 ILE 6 HG23 ILE 6 10.532 4.490 -3.832
42 HD11 ILE 6 HD1 ILE 6 9.599 0.759 -3.869
43 HD12 ILE 6 HD2 ILE 6 8.779 -0.202 -5.144
44 HD13 ILE 6 HD3 ILE 6 10.386 0.539 -5.475
45 H LEU 7 HN LEU 7 6.853 3.534 -7.320
46 HA LEU 7 HA LEU 7 8.155 3.415 -9.864
47 HB2 LEU 7 HB1 LEU 7 5.183 3.162 -9.170
48 HB3 LEU 7 HB2 LEU 7 5.922 2.755 -10.746
49 HG LEU 7 HG LEU 7 6.539 1.366 -8.069
50 HD11 LEU 7 HD11 LEU 7 5.249 -0.546 -9.008
51 HD12 LEU 7 HD12 LEU 7 4.863 0.424 -10.479
52 HD13 LEU 7 HD13 LEU 7 4.228 0.933 -8.873
53 HD21 LEU 7 HD21 LEU 7 7.433 0.665 -10.940
54 HD22 LEU 7 HD22 LEU 7 7.680 -0.365 -9.481
55 HD23 LEU 7 HD23 LEU 7 8.507 1.229 -9.593
56 H SER 8 HN SER 8 5.905 5.678 -8.291
57 HA SER 8 HA SER 8 5.384 7.314 -10.446
58 HB2 SER 8 HB1 SER 8 5.565 8.166 -7.503
59 HB3 SER 8 HB2 SER 8 4.559 8.920 -8.800
60 HG SER 8 HG1 SER 8 3.533 7.314 -7.320
61 H GLY 9 HN GLY 9 8.307 7.058 -8.626
62 HA2 GLY 9 HA1 GLY 9 9.433 9.452 -9.937
63 HA3 GLY 9 HA2 GLY 9 10.251 8.334 -8.786
64 H LEU 10 HN LEU 10 10.423 6.000 -9.638
65 HA LEU 10 HA LEU 10 12.264 6.213 -11.688
66 HB2 LEU 10 HB1 LEU 10 12.281 4.653 -9.767
67 HB3 LEU 10 HB2 LEU 10 10.920 3.736 -10.451
68 HG LEU 10 HG LEU 10 13.261 2.751 -10.597
69 HD11 LEU 10 HD11 LEU 10 11.911 2.977 -13.346
70 HD12 LEU 10 HD12 LEU 10 11.371 1.897 -11.989
71 HD13 LEU 10 HD13 LEU 10 13.005 1.680 -12.746
72 HD21 LEU 10 HD21 LEU 10 13.733 4.764 -12.881
73 HD22 LEU 10 HD22 LEU 10 14.825 3.437 -12.358
74 HD23 LEU 10 HD23 LEU 10 14.506 4.819 -11.252
75 H LYS 11 HN LYS 11 8.898 4.857 -11.993
76 HA LYS 11 HA LYS 11 9.513 4.159 -14.773
77 HB2 LYS 11 HB1 LYS 11 7.096 3.705 -12.973
78 HB3 LYS 11 HB2 LYS 11 7.008 3.434 -14.736
79 HG2 LYS 11 HG1 LYS 11 9.050 2.026 -12.918
80 HG3 LYS 11 HG2 LYS 11 7.445 1.359 -13.378
81 HD2 LYS 11 HD1 LYS 11 8.034 1.586 -15.806
82 HD3 LYS 11 HD2 LYS 11 9.688 2.091 -15.384
83 HE2 LYS 11 HE1 LYS 11 8.402 -0.643 -14.658
84 HE3 LYS 11 HE2 LYS 11 9.489 -0.342 -16.070
85 HZ1 LYS 11 HZ1 LYS 11 10.203 0.037 -13.206
86 HZ2 LYS 11 HZ2 LYS 11 11.217 0.340 -14.530
87 HZ3 LYS 11 HZ3 LYS 11 10.696 -1.240 -14.209
88 H THR 12 HN THR 12 7.898 6.763 -12.975
89 HA THR 12 HA THR 12 6.741 8.013 -15.207
90 HB THR 12 HB THR 12 8.019 9.347 -12.780
91 HG1 THR 12 HG1 THR 12 6.114 9.126 -11.900
92 HG21 THR 12 HG21 THR 12 5.837 10.278 -14.788
93 HG22 THR 12 HG22 THR 12 7.493 10.987 -14.652
94 HG23 THR 12 HG23 THR 12 6.327 11.158 -13.298
95 H ALA 13 HN ALA 13 10.106 8.344 -13.844
96 HA ALA 13 HA ALA 13 11.000 9.994 -15.952
97 HB1 ALA 13 HB1 ALA 13 12.525 8.007 -14.158
98 HB2 ALA 13 HB2 ALA 13 13.275 9.327 -15.138
99 HB3 ALA 13 HB3 ALA 13 12.179 9.727 -13.768
100 H LEU 14 HN LEU 14 11.236 6.414 -15.557
101 HA LEU 14 HA LEU 14 12.718 6.088 -17.917
102 HB2 LEU 14 HB1 LEU 14 12.749 4.648 -15.845
103 HB3 LEU 14 HB2 LEU 14 11.129 4.032 -16.285
104 HG LEU 14 HG LEU 14 12.146 3.050 -18.402
105 HD11 LEU 14 HD11 LEU 14 14.644 2.838 -18.538
106 HD12 LEU 14 HD12 LEU 14 14.815 3.968 -17.145
107 HD13 LEU 14 HD13 LEU 14 14.108 4.541 -18.703
108 HD21 LEU 14 HD21 LEU 14 11.839 1.671 -16.362
109 HD22 LEU 14 HD22 LEU 14 13.467 2.197 -15.751
110 HD23 LEU 14 HD23 LEU 14 13.344 1.196 -17.245
111 H LYS 15 HN LYS 15 9.188 6.131 -17.533
112 HA LYS 15 HA LYS 15 9.111 5.525 -20.433
113 HB2 LYS 15 HB1 LYS 15 8.383 3.541 -19.027
114 HB3 LYS 15 HB2 LYS 15 7.029 4.542 -18.428
115 HG2 LYS 15 HG1 LYS 15 6.228 3.098 -20.213
116 HG3 LYS 15 HG2 LYS 15 6.182 4.764 -20.821
117 HD2 LYS 15 HD1 LYS 15 8.802 3.547 -21.498
118 HD3 LYS 15 HD2 LYS 15 7.503 2.400 -21.881
119 HE2 LYS 15 HE1 LYS 15 7.889 3.631 -23.906
120 HE3 LYS 15 HE2 LYS 15 6.319 4.230 -23.242
121 HZ1 LYS 15 HZ1 LYS 15 7.679 6.056 -23.964
122 HZ2 LYS 15 HZ2 LYS 15 8.988 5.552 -23.015
123 HZ3 LYS 15 HZ3 LYS 15 7.575 6.108 -22.281
124 H GLY 16 HN GLY 16 7.726 7.532 -17.817
125 HA2 GLY 16 HA1 GLY 16 5.759 8.685 -19.600
126 HA3 GLY 16 HA2 GLY 16 6.256 9.244 -17.963
127 H ALA 17 HN ALA 17 8.486 10.256 -17.883
128 HA ALA 17 HA ALA 17 8.620 12.482 -19.566
129 HB1 ALA 17 HB1 ALA 17 10.829 11.215 -17.824
130 HB2 ALA 17 HB2 ALA 17 10.806 12.915 -18.427
131 HB3 ALA 17 HB3 ALA 17 9.572 12.369 -17.235
132 H ALA 18 HN ALA 18 10.431 9.418 -19.677
133 HA ALA 18 HA ALA 18 11.918 9.769 -21.945
134 HB1 ALA 18 HB1 ALA 18 12.007 7.773 -20.463
135 HB2 ALA 18 HB2 ALA 18 10.387 7.261 -21.053
136 HB3 ALA 18 HB3 ALA 18 11.805 7.296 -22.182
137 H LYS 19 HN LYS 19 8.336 9.027 -21.927
138 HA LYS 19 HA LYS 19 8.264 8.726 -24.791
139 HB2 LYS 19 HB1 LYS 19 6.465 8.006 -22.939
140 HB3 LYS 19 HB2 LYS 19 5.856 9.646 -23.128
141 HG2 LYS 19 HG1 LYS 19 6.156 7.506 -25.342
142 HG3 LYS 19 HG2 LYS 19 4.647 7.869 -24.457
143 HD2 LYS 19 HD1 LYS 19 6.033 9.824 -26.425
144 HD3 LYS 19 HD2 LYS 19 4.776 8.645 -26.810
145 HE2 LYS 19 HE1 LYS 19 3.434 10.452 -26.650
146 HE3 LYS 19 HE2 LYS 19 3.302 9.871 -24.945
147 HZ1 LYS 19 HZ1 LYS 19 3.738 12.318 -25.189
148 HZ2 LYS 19 HZ2 LYS 19 5.231 11.968 -25.869
149 HZ3 LYS 19 HZ3 LYS 19 4.809 11.550 -24.271
150 H GLU 20 HN GLU 20 7.542 11.483 -22.521
151 HA GLU 20 HA GLU 20 6.840 13.247 -24.530
152 HB2 GLU 20 HB1 GLU 20 8.147 14.076 -21.900
153 HB3 GLU 20 HB2 GLU 20 7.025 15.011 -22.945
154 HG2 GLU 20 HG1 GLU 20 6.391 12.659 -21.075
155 HG3 GLU 20 HG2 GLU 20 5.631 14.291 -21.143
156 H LEU 21 HN LEU 21 10.111 12.773 -23.133
157 HA LEU 21 HA LEU 21 11.420 14.626 -24.777
158 HB2 LEU 21 HB1 LEU 21 12.247 13.588 -22.654
159 HB3 LEU 21 HB2 LEU 21 12.433 12.019 -23.478
160 HG LEU 21 HG LEU 21 14.520 13.386 -23.012
161 HD11 LEU 21 HD11 LEU 21 14.505 11.509 -24.684
162 HD12 LEU 21 HD12 LEU 21 15.724 12.794 -25.030
163 HD13 LEU 21 HD13 LEU 21 14.217 12.718 -25.996
164 HD21 LEU 21 HD21 LEU 21 15.177 15.243 -24.481
165 HD22 LEU 21 HD22 LEU 21 13.633 15.652 -23.641
166 HD23 LEU 21 HD23 LEU 21 13.624 15.147 -25.375
167 H ALA 22 HN ALA 22 10.745 11.121 -25.353
168 HA ALA 22 HA ALA 22 12.241 11.243 -27.835
169 HB1 ALA 22 HB1 ALA 22 12.453 9.317 -26.258
170 HB2 ALA 22 HB2 ALA 22 10.703 8.955 -26.489
171 HB3 ALA 22 HB3 ALA 22 11.849 8.793 -27.874
172 H SER 23 HN SER 23 9.279 12.432 -27.327
173 HA SER 23 HA SER 23 7.536 10.912 -28.909
174 HB2 SER 23 HB1 SER 23 7.445 13.910 -28.252
175 HB3 SER 23 HB2 SER 23 6.125 13.043 -29.115
176 HG SER 23 HG1 SER 23 7.178 12.244 -26.622
177 H THR 24 HN THR 24 9.574 13.691 -29.965
178 HA THR 24 HA THR 24 8.602 13.338 -32.683
179 HB THR 24 HB THR 24 10.804 15.284 -31.953
180 HG1 THR 24 HG1 THR 24 9.159 16.711 -31.320
181 HG21 THR 24 HG21 THR 24 9.847 15.119 -34.321
182 HG22 THR 24 HG22 THR 24 9.491 16.712 -33.568
183 HG23 THR 24 HG23 THR 24 8.208 15.446 -33.657
184 H TYR 25 HN TYR 25 10.813 11.679 -30.949
185 HA TYR 25 HA TYR 25 12.783 11.516 -33.173
186 HB2 TYR 25 HB1 TYR 25 13.137 10.769 -30.201
187 HB3 TYR 25 HB2 TYR 25 14.407 10.651 -31.485
188 HD1 TYR 25 HD1 TYR 25 14.319 13.100 -32.982
189 HD2 TYR 25 HD2 TYR 25 13.661 12.532 -28.766
190 HE1 TYR 25 HE1 TYR 25 14.965 15.436 -32.565
191 HE2 TYR 25 HE2 TYR 25 14.296 14.881 -28.356
192 HH TYR 25 HH TYR 25 15.253 17.047 -31.033
193 H LEU 26 HN LEU 26 10.778 9.560 -30.944
194 HA LEU 26 HA LEU 26 11.365 7.178 -32.602
195 HB2 LEU 26 HB1 LEU 26 10.556 7.633 -29.695
196 HB3 LEU 26 HB2 LEU 26 10.140 6.089 -30.500
197 HG LEU 26 HG LEU 26 12.471 5.587 -30.979
198 HD11 LEU 26 HD11 LEU 26 13.574 7.761 -31.161
199 HD12 LEU 26 HD12 LEU 26 14.337 6.837 -29.828
200 HD13 LEU 26 HD13 LEU 26 13.179 8.169 -29.447
201 HD21 LEU 26 HD21 LEU 26 11.954 6.270 -28.017
202 HD22 LEU 26 HD22 LEU 26 13.151 5.072 -28.642
203 HD23 LEU 26 HD23 LEU 26 11.386 4.788 -28.885
204 H HIS 27 HN HIS 27 9.253 9.633 -32.752
205 HA HIS 27 HA HIS 27 7.410 8.108 -34.188
206 HB2 HIS 27 HB1 HIS 27 6.475 7.653 -31.853
207 HB3 HIS 27 HB2 HIS 27 6.221 9.421 -31.659
208 HD2 HIS 27 HD2 HIS 27 4.598 6.278 -33.410
209 HE1 HIS 27 HE1 HIS 27 2.377 9.740 -34.466
210 HE2 HIS 27 HE2 HIS 27 2.471 7.188 -34.576
Start of MODEL 20
1 H1 GLY 1 HN GLY 1 1.112 -0.116 0.477
2 HA2 GLY 1 HA1 GLY 1 1.239 1.900 -1.025
3 HA3 GLY 1 HA2 GLY 1 1.814 2.199 0.667
4 H ILE 2 HN ILE 2 4.090 0.372 -0.019
5 HA ILE 2 HA ILE 2 6.007 2.340 -0.306
6 HB ILE 2 HB ILE 2 6.382 0.247 0.839
7 HG12 ILE 2 HG11 ILE 2 8.422 0.632 -1.435
8 HG13 ILE 2 HG12 ILE 2 8.280 1.681 0.014
9 HG21 ILE 2 HG21 ILE 2 5.178 -1.286 -0.793
10 HG22 ILE 2 HG22 ILE 2 6.571 -1.107 -1.936
11 HG23 ILE 2 HG23 ILE 2 6.804 -1.871 -0.331
12 HD11 ILE 2 HD1 ILE 2 10.083 0.022 0.365
13 HD12 ILE 2 HD2 ILE 2 8.727 -0.320 1.499
14 HD13 ILE 2 HD3 ILE 2 8.957 -1.338 0.032
15 H GLY 3 HN GLY 3 4.701 0.268 -2.877
16 HA2 GLY 3 HA1 GLY 3 6.468 1.012 -4.933
17 HA3 GLY 3 HA2 GLY 3 4.762 0.479 -5.130
18 H GLY 4 HN GLY 4 3.756 2.815 -3.559
19 HA2 GLY 4 HA1 GLY 4 3.466 4.600 -5.801
20 HA3 GLY 4 HA2 GLY 4 2.722 4.711 -4.169
21 H LYS 5 HN LYS 5 5.822 4.417 -3.354
22 HA LYS 5 HA LYS 5 6.499 7.238 -3.946
23 HB2 LYS 5 HB1 LYS 5 7.595 7.495 -1.805
24 HB3 LYS 5 HB2 LYS 5 5.870 7.126 -1.673
25 HG2 LYS 5 HG1 LYS 5 6.901 5.948 0.106
26 HG3 LYS 5 HG2 LYS 5 6.285 4.784 -1.083
27 HD2 LYS 5 HD1 LYS 5 8.306 3.915 -0.270
28 HD3 LYS 5 HD2 LYS 5 8.656 4.415 -1.931
29 HE2 LYS 5 HE1 LYS 5 9.458 5.915 0.685
30 HE3 LYS 5 HE2 LYS 5 10.529 4.866 -0.322
31 HZ1 LYS 5 HZ1 LYS 5 9.439 7.534 -0.926
32 HZ2 LYS 5 HZ2 LYS 5 9.856 6.506 -2.184
33 HZ3 LYS 5 HZ3 LYS 5 11.037 6.969 -1.052
34 H ILE 6 HN ILE 6 7.236 4.405 -5.180
35 HA ILE 6 HA ILE 6 9.907 5.502 -5.822
36 HB ILE 6 HB ILE 6 10.772 3.196 -6.285
37 HG12 ILE 6 HG11 ILE 6 8.457 2.306 -4.454
38 HG13 ILE 6 HG12 ILE 6 8.530 1.996 -6.220
39 HG21 ILE 6 HG21 ILE 6 11.425 4.656 -4.334
40 HG22 ILE 6 HG22 ILE 6 10.156 3.833 -3.338
41 HG23 ILE 6 HG23 ILE 6 11.551 2.897 -3.986
42 HD11 ILE 6 HD1 ILE 6 10.679 0.695 -5.889
43 HD12 ILE 6 HD2 ILE 6 10.510 0.917 -4.109
44 HD13 ILE 6 HD3 ILE 6 9.272 -0.014 -5.017
45 H LEU 7 HN LEU 7 7.071 3.567 -7.057
46 HA LEU 7 HA LEU 7 8.172 3.561 -9.693
47 HB2 LEU 7 HB1 LEU 7 5.320 3.029 -8.704
48 HB3 LEU 7 HB2 LEU 7 5.919 2.688 -10.357
49 HG LEU 7 HG LEU 7 6.950 1.376 -7.771
50 HD11 LEU 7 HD11 LEU 7 5.141 0.264 -10.005
51 HD12 LEU 7 HD12 LEU 7 4.622 0.708 -8.338
52 HD13 LEU 7 HD13 LEU 7 5.773 -0.657 -8.589
53 HD21 LEU 7 HD21 LEU 7 7.620 0.767 -10.724
54 HD22 LEU 7 HD22 LEU 7 8.111 -0.231 -9.306
55 HD23 LEU 7 HD23 LEU 7 8.758 1.435 -9.486
56 H SER 8 HN SER 8 6.170 5.754 -7.854
57 HA SER 8 HA SER 8 5.216 7.353 -9.912
58 HB2 SER 8 HB1 SER 8 5.931 8.209 -7.049
59 HB3 SER 8 HB2 SER 8 4.716 8.974 -8.144
60 HG SER 8 HG1 SER 8 4.005 7.333 -6.485
61 H GLY 9 HN GLY 9 8.460 7.020 -8.799
62 HA2 GLY 9 HA1 GLY 9 9.186 9.434 -10.395
63 HA3 GLY 9 HA2 GLY 9 10.258 8.558 -9.252
64 H LEU 10 HN LEU 10 9.988 5.931 -9.929
65 HA LEU 10 HA LEU 10 11.711 5.821 -12.098
66 HB2 LEU 10 HB1 LEU 10 11.593 4.328 -10.115
67 HB3 LEU 10 HB2 LEU 10 10.119 3.556 -10.750
68 HG LEU 10 HG LEU 10 12.723 3.586 -12.375
69 HD11 LEU 10 HD11 LEU 10 12.016 1.596 -10.125
70 HD12 LEU 10 HD12 LEU 10 13.341 2.820 -10.092
71 HD13 LEU 10 HD13 LEU 10 13.406 1.460 -11.267
72 HD21 LEU 10 HD21 LEU 10 10.402 1.550 -12.173
73 HD22 LEU 10 HD22 LEU 10 11.897 1.340 -13.163
74 HD23 LEU 10 HD23 LEU 10 10.739 2.652 -13.572
75 H LYS 11 HN LYS 11 8.190 4.896 -12.093
76 HA LYS 11 HA LYS 11 8.461 4.154 -14.914
77 HB2 LYS 11 HB1 LYS 11 6.135 3.995 -12.936
78 HB3 LYS 11 HB2 LYS 11 5.981 3.575 -14.667
79 HG2 LYS 11 HG1 LYS 11 7.916 2.182 -12.711
80 HG3 LYS 11 HG2 LYS 11 6.282 1.594 -13.154
81 HD2 LYS 11 HD1 LYS 11 6.972 1.527 -15.577
82 HD3 LYS 11 HD2 LYS 11 8.639 2.001 -15.102
83 HE2 LYS 11 HE1 LYS 11 8.882 -0.104 -13.755
84 HE3 LYS 11 HE2 LYS 11 7.192 -0.584 -14.190
85 HZ1 LYS 11 HZ1 LYS 11 8.841 -1.643 -15.604
86 HZ2 LYS 11 HZ2 LYS 11 9.424 -0.140 -16.122
87 HZ3 LYS 11 HZ3 LYS 11 7.847 -0.615 -16.508
88 H THR 12 HN THR 12 7.305 6.854 -12.940
89 HA THR 12 HA THR 12 6.023 8.273 -14.987
90 HB THR 12 HB THR 12 7.683 9.416 -12.695
91 HG1 THR 12 HG1 THR 12 5.869 9.276 -11.573
92 HG21 THR 12 HG21 THR 12 6.983 11.144 -14.428
93 HG22 THR 12 HG22 THR 12 6.036 11.328 -12.913
94 HG23 THR 12 HG23 THR 12 5.291 10.525 -14.340
95 H ALA 13 HN ALA 13 9.547 8.222 -14.045
96 HA ALA 13 HA ALA 13 10.346 9.889 -16.166
97 HB1 ALA 13 HB1 ALA 13 11.847 7.637 -14.693
98 HB2 ALA 13 HB2 ALA 13 12.614 8.924 -15.702
99 HB3 ALA 13 HB3 ALA 13 11.761 9.357 -14.177
100 H LEU 14 HN LEU 14 10.149 6.289 -15.982
101 HA LEU 14 HA LEU 14 11.177 5.855 -18.534
102 HB2 LEU 14 HB1 LEU 14 11.024 4.208 -16.613
103 HB3 LEU 14 HB2 LEU 14 9.266 4.073 -16.932
104 HG LEU 14 HG LEU 14 9.838 3.225 -19.280
105 HD11 LEU 14 HD11 LEU 14 12.159 2.356 -19.677
106 HD12 LEU 14 HD12 LEU 14 12.716 3.151 -18.157
107 HD13 LEU 14 HD13 LEU 14 12.127 4.143 -19.544
108 HD21 LEU 14 HD21 LEU 14 9.234 1.684 -17.453
109 HD22 LEU 14 HD22 LEU 14 10.972 1.627 -16.905
110 HD23 LEU 14 HD23 LEU 14 10.505 0.952 -18.517
111 H LYS 15 HN LYS 15 7.639 6.009 -17.625
112 HA LYS 15 HA LYS 15 6.977 5.737 -20.465
113 HB2 LYS 15 HB1 LYS 15 5.325 4.714 -19.072
114 HB3 LYS 15 HB2 LYS 15 5.338 6.085 -17.924
115 HG2 LYS 15 HG1 LYS 15 3.229 6.049 -19.194
116 HG3 LYS 15 HG2 LYS 15 4.142 7.541 -19.471
117 HD2 LYS 15 HD1 LYS 15 5.016 6.065 -21.659
118 HD3 LYS 15 HD2 LYS 15 3.438 5.289 -21.378
119 HE2 LYS 15 HE1 LYS 15 3.185 7.073 -23.046
120 HE3 LYS 15 HE2 LYS 15 2.337 7.624 -21.546
121 HZ1 LYS 15 HZ1 LYS 15 5.154 8.386 -21.724
122 HZ2 LYS 15 HZ2 LYS 15 3.847 9.346 -21.347
123 HZ3 LYS 15 HZ3 LYS 15 4.196 9.116 -22.865
124 H GLY 16 HN GLY 16 6.913 8.352 -17.947
125 HA2 GLY 16 HA1 GLY 16 5.511 10.077 -19.772
126 HA3 GLY 16 HA2 GLY 16 6.117 10.446 -18.120
127 H ALA 17 HN ALA 17 8.510 10.738 -17.944
128 HA ALA 17 HA ALA 17 9.161 12.908 -19.566
129 HB1 ALA 17 HB1 ALA 17 10.042 12.532 -17.240
130 HB2 ALA 17 HB2 ALA 17 11.057 11.176 -17.867
131 HB3 ALA 17 HB3 ALA 17 11.367 12.867 -18.413
132 H ALA 18 HN ALA 18 10.438 9.524 -19.836
133 HA ALA 18 HA ALA 18 12.174 10.134 -21.949
134 HB1 ALA 18 HB1 ALA 18 12.284 7.668 -22.261
135 HB2 ALA 18 HB2 ALA 18 12.322 8.094 -20.510
136 HB3 ALA 18 HB3 ALA 18 10.802 7.477 -21.248
137 H LYS 19 HN LYS 19 8.740 8.838 -22.220
138 HA LYS 19 HA LYS 19 9.059 8.843 -25.079
139 HB2 LYS 19 HB1 LYS 19 7.625 7.125 -24.181
140 HB3 LYS 19 HB2 LYS 19 6.586 8.366 -23.398
141 HG2 LYS 19 HG1 LYS 19 5.489 7.430 -25.431
142 HG3 LYS 19 HG2 LYS 19 5.758 9.189 -25.485
143 HD2 LYS 19 HD1 LYS 19 7.964 8.557 -26.852
144 HD3 LYS 19 HD2 LYS 19 7.124 7.007 -27.155
145 HE2 LYS 19 HE1 LYS 19 5.282 8.200 -28.314
146 HE3 LYS 19 HE2 LYS 19 5.848 9.789 -27.661
147 HZ1 LYS 19 HZ1 LYS 19 7.338 8.098 -29.617
148 HZ2 LYS 19 HZ2 LYS 19 7.881 9.536 -28.965
149 HZ3 LYS 19 HZ3 LYS 19 6.526 9.515 -29.957
150 H GLU 20 HN GLU 20 7.416 11.140 -22.785
151 HA GLU 20 HA GLU 20 6.377 12.666 -24.894
152 HB2 GLU 20 HB1 GLU 20 6.789 13.206 -21.944
153 HB3 GLU 20 HB2 GLU 20 6.269 14.503 -23.062
154 HG2 GLU 20 HG1 GLU 20 4.296 13.555 -22.007
155 HG3 GLU 20 HG2 GLU 20 4.266 13.239 -23.775
156 H LEU 21 HN LEU 21 9.598 12.905 -23.251
157 HA LEU 21 HA LEU 21 10.456 15.110 -24.818
158 HB2 LEU 21 HB1 LEU 21 11.623 14.305 -22.755
159 HB3 LEU 21 HB2 LEU 21 12.041 12.786 -23.590
160 HG LEU 21 HG LEU 21 13.452 14.083 -25.225
161 HD11 LEU 21 HD11 LEU 21 14.053 16.475 -24.688
162 HD12 LEU 21 HD12 LEU 21 12.759 16.505 -23.433
163 HD13 LEU 21 HD13 LEU 21 12.331 16.301 -25.177
164 HD21 LEU 21 HD21 LEU 21 14.119 14.586 -22.258
165 HD22 LEU 21 HD22 LEU 21 15.291 14.594 -23.631
166 HD23 LEU 21 HD23 LEU 21 14.442 13.068 -23.176
167 H ALA 22 HN ALA 22 10.656 11.548 -25.393
168 HA ALA 22 HA ALA 22 11.751 11.972 -28.033
169 HB1 ALA 22 HB1 ALA 22 10.833 9.412 -26.613
170 HB2 ALA 22 HB2 ALA 22 11.794 9.498 -28.141
171 HB3 ALA 22 HB3 ALA 22 12.503 10.075 -26.587
172 H SER 23 HN SER 23 9.124 13.196 -27.666
173 HA SER 23 HA SER 23 6.999 11.637 -28.501
174 HB2 SER 23 HB1 SER 23 7.480 14.637 -28.867
175 HB3 SER 23 HB2 SER 23 5.983 13.832 -29.456
176 HG SER 23 HG1 SER 23 6.881 14.081 -26.800
177 H THR 24 HN THR 24 8.919 13.812 -30.679
178 HA THR 24 HA THR 24 7.930 12.591 -33.032
179 HB THR 24 HB THR 24 10.541 14.167 -32.783
180 HG1 THR 24 HG1 THR 24 9.169 15.950 -33.169
181 HG21 THR 24 HG21 THR 24 9.857 14.924 -35.089
182 HG22 THR 24 HG22 THR 24 8.356 13.934 -34.979
183 HG23 THR 24 HG23 THR 24 9.966 13.130 -35.046
184 H TYR 25 HN TYR 25 10.973 12.258 -31.190
185 HA TYR 25 HA TYR 25 12.363 11.003 -33.223
186 HB2 TYR 25 HB1 TYR 25 13.025 10.932 -30.217
187 HB3 TYR 25 HB2 TYR 25 14.191 10.771 -31.589
188 HD1 TYR 25 HD1 TYR 25 13.769 12.819 -33.443
189 HD2 TYR 25 HD2 TYR 25 13.118 13.029 -29.192
190 HE1 TYR 25 HE1 TYR 25 13.885 15.291 -33.534
191 HE2 TYR 25 HE2 TYR 25 13.214 15.483 -29.297
192 HH TYR 25 HH TYR 25 13.519 17.294 -30.609
193 H LEU 26 HN LEU 26 10.749 9.401 -30.455
194 HA LEU 26 HA LEU 26 11.259 6.814 -31.831
195 HB2 LEU 26 HB1 LEU 26 10.846 7.486 -28.866
196 HB3 LEU 26 HB2 LEU 26 10.477 5.859 -29.515
197 HG LEU 26 HG LEU 26 12.619 5.855 -28.429
198 HD11 LEU 26 HD11 LEU 26 13.948 4.737 -30.167
199 HD12 LEU 26 HD12 LEU 26 12.994 5.525 -31.469
200 HD13 LEU 26 HD13 LEU 26 12.205 4.325 -30.375
201 HD21 LEU 26 HD21 LEU 26 14.627 6.994 -29.257
202 HD22 LEU 26 HD22 LEU 26 13.382 8.218 -28.810
203 HD23 LEU 26 HD23 LEU 26 13.689 7.814 -30.547
204 H HIS 27 HN HIS 27 9.614 7.595 -33.293
205 HA HIS 27 HA HIS 27 7.515 8.997 -32.978
206 HB2 HIS 27 HB1 HIS 27 7.463 6.553 -34.833
207 HB3 HIS 27 HB2 HIS 27 6.696 8.162 -35.112
208 HD2 HIS 27 HD2 HIS 27 8.440 10.037 -36.330
209 HE1 HIS 27 HE1 HIS 27 11.909 7.610 -36.017
210 HE2 HIS 27 HE2 HIS 27 10.941 9.786 -36.941