Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649966 | 6rz1 RC | 34412 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 HT1 PHE 1 61.522 -0.593 0.508
2 H2 PHE 1 HT2 PHE 1 61.360 -2.284 0.467
3 H3 PHE 1 HT3 PHE 1 62.674 -1.571 1.275
4 HA PHE 1 HA PHE 1 59.997 -2.048 2.152
5 HB2 PHE 1 HB2 PHE 1 62.643 -1.417 3.516
6 HB3 PHE 1 HB1 PHE 1 61.146 -1.873 4.365
7 HD1 PHE 1 HD1 PHE 1 63.925 -3.056 2.250
8 HD2 PHE 1 HD2 PHE 1 60.172 -4.139 4.090
9 HE1 PHE 1 HE1 PHE 1 64.423 -5.464 1.850
10 HE2 PHE 1 HE2 PHE 1 60.673 -6.547 3.690
11 HZ PHE 1 HZ PHE 1 62.792 -7.209 2.560
12 H LEU 2 HN LEU 2 60.540 0.465 0.602
13 HA LEU 2 HA LEU 2 60.517 2.653 2.513
14 HB2 LEU 2 HB2 LEU 2 59.852 2.392 -0.441
15 HB3 LEU 2 HB1 LEU 2 59.621 3.926 0.432
16 HG LEU 2 HG LEU 2 62.011 3.884 1.121
17 HD11 LEU 2 HD11 LEU 2 62.601 1.583 1.181
18 HD12 LEU 2 HD12 LEU 2 63.475 2.207 -0.235
19 HD13 LEU 2 HD13 LEU 2 61.970 1.283 -0.456
20 HD21 LEU 2 HD21 LEU 2 61.327 5.055 -0.951
21 HD22 LEU 2 HD22 LEU 2 61.545 3.550 -1.879
22 HD23 LEU 2 HD23 LEU 2 62.950 4.349 -1.133
23 H GLY 3 HN GLY 3 58.018 0.895 0.651
24 HA2 GLY 3 HA1 GLY 3 55.781 0.565 1.204
25 HA3 GLY 3 HA2 GLY 3 56.039 1.445 2.722
26 H ALA 4 HN ALA 4 56.937 3.898 1.817
27 HA ALA 4 HA ALA 4 54.407 5.069 0.948
28 HB1 ALA 4 HB1 ALA 4 55.763 6.257 2.551
29 HB2 ALA 4 HB2 ALA 4 55.724 7.205 1.043
30 HB3 ALA 4 HB3 ALA 4 57.162 6.239 1.452
31 H LEU 5 HN LEU 5 53.736 5.399 -1.060
32 HA LEU 5 HA LEU 5 55.542 4.852 -3.315
33 HB2 LEU 5 HB2 LEU 5 52.618 5.633 -3.042
34 HB3 LEU 5 HB1 LEU 5 53.417 5.563 -4.630
35 HG LEU 5 HG LEU 5 54.015 3.209 -4.261
36 HD11 LEU 5 HD11 LEU 5 54.367 3.020 -1.917
37 HD12 LEU 5 HD12 LEU 5 52.888 2.078 -2.204
38 HD13 LEU 5 HD13 LEU 5 52.778 3.722 -1.529
39 HD21 LEU 5 HD21 LEU 5 51.083 3.738 -3.599
40 HD22 LEU 5 HD22 LEU 5 51.748 2.262 -4.340
41 HD23 LEU 5 HD23 LEU 5 51.787 3.801 -5.232
42 H ILE 6 HN ILE 6 56.123 7.130 -1.507
43 HA ILE 6 HA ILE 6 56.388 9.478 -1.533
44 HB ILE 6 HB ILE 6 58.306 8.174 -2.913
45 HG12 ILE 6 HG12 ILE 6 59.259 10.632 -3.460
46 HG13 ILE 6 HG11 ILE 6 57.825 11.148 -2.548
47 HG21 ILE 6 HG21 ILE 6 56.757 8.560 -5.086
48 HG22 ILE 6 HG22 ILE 6 58.528 8.578 -5.187
49 HG23 ILE 6 HG23 ILE 6 57.631 10.107 -5.133
50 HD11 ILE 6 HD1 ILE 6 58.606 9.441 -0.741
51 HD12 ILE 6 HD2 ILE 6 59.522 10.957 -0.902
52 HD13 ILE 6 HD3 ILE 6 60.159 9.452 -1.606
53 H LYS 7 HN LYS 7 56.725 11.162 -3.935
54 HA LYS 7 HA LYS 7 55.263 12.730 -4.848
55 HB2 LYS 7 HB2 LYS 7 54.533 10.539 -6.200
56 HB3 LYS 7 HB1 LYS 7 53.111 10.588 -5.135
57 HG2 LYS 7 HG2 LYS 7 52.370 11.854 -6.977
58 HG3 LYS 7 HG1 LYS 7 52.961 13.126 -5.888
59 HD2 LYS 7 HD2 LYS 7 55.084 13.243 -7.120
60 HD3 LYS 7 HD1 LYS 7 54.599 11.869 -8.141
61 HE2 LYS 7 HE2 LYS 7 53.167 14.557 -7.982
62 HE3 LYS 7 HE1 LYS 7 54.223 14.018 -9.310
63 HZ1 LYS 7 HZ1 LYS 7 52.306 13.266 -10.171
64 HZ2 LYS 7 HZ2 LYS 7 51.495 13.258 -8.677
65 HZ3 LYS 7 HZ3 LYS 7 52.510 11.964 -9.102
66 H GLY 8 HN GLY 8 55.649 11.724 -2.366
67 HA2 GLY 8 HA1 GLY 8 54.989 11.470 -0.267
68 HA3 GLY 8 HA2 GLY 8 54.376 13.154 -0.479
69 H ALA 9 HN ALA 9 53.612 9.724 -0.520
70 HA ALA 9 HA ALA 9 51.627 8.570 -0.301
71 HB1 ALA 9 HB1 ALA 9 49.914 9.602 1.177
72 HB2 ALA 9 HB2 ALA 9 50.813 11.136 1.113
73 HB3 ALA 9 HB3 ALA 9 51.552 9.700 1.862
74 H ILE 10 HN ILE 10 51.584 8.861 -2.696
75 HA ILE 10 HA ILE 10 50.345 9.188 -4.608
76 HB ILE 10 HB ILE 10 48.225 9.579 -2.487
77 HG12 ILE 10 HG12 ILE 10 47.085 7.842 -3.835
78 HG13 ILE 10 HG11 ILE 10 48.373 7.948 -5.058
79 HG21 ILE 10 HG21 ILE 10 47.528 11.432 -3.802
80 HG22 ILE 10 HG22 ILE 10 46.527 10.073 -4.363
81 HG23 ILE 10 HG23 ILE 10 47.925 10.606 -5.328
82 HD11 ILE 10 HD1 ILE 10 48.946 7.325 -2.133
83 HD12 ILE 10 HD2 ILE 10 50.023 7.106 -3.534
84 HD13 ILE 10 HD3 ILE 10 48.600 6.057 -3.333
85 H HIS 11 HN HIS 11 49.265 11.908 -2.506
86 HA HIS 11 HA HIS 11 50.883 13.800 -4.068
87 HB2 HIS 11 HB2 HIS 11 48.893 13.530 -5.530
88 HB3 HIS 11 HB1 HIS 11 47.840 13.949 -4.157
89 HD1 HIS 11 HD1 HIS 11 50.999 15.492 -5.745
90 HD2 HIS 11 HD2 HIS 11 47.278 16.643 -4.164
91 HE1 HIS 11 HE1 HIS 11 50.809 18.027 -6.013
92 H GLY 12 HN GLY 12 49.623 12.633 -1.328
93 HA2 GLY 12 HA1 GLY 12 50.414 13.972 0.684
94 HA3 GLY 12 HA2 GLY 12 49.476 15.328 0.028
95 H GLY 13 HN GLY 13 47.976 12.365 -0.638
96 HA2 GLY 13 HA1 GLY 13 46.137 11.299 0.287
97 HA3 GLY 13 HA2 GLY 13 46.668 11.891 1.875
98 H ARG 14 HN ARG 14 45.258 13.145 -1.173
99 HA ARG 14 HA ARG 14 42.948 14.207 0.233
100 HB2 ARG 14 HB2 ARG 14 44.554 15.931 0.915
101 HB3 ARG 14 HB1 ARG 14 45.071 16.153 -0.770
102 HG2 ARG 14 HG2 ARG 14 43.469 17.919 -0.018
103 HG3 ARG 14 HG1 ARG 14 42.840 16.983 -1.388
104 HD2 ARG 14 HD2 ARG 14 41.266 15.842 -0.047
105 HD3 ARG 14 HD1 ARG 14 42.173 16.149 1.455
106 HE ARG 14 HE ARG 14 40.224 17.941 0.236
107 HH11 ARG 14 HH11 ARG 14 41.265 20.232 0.357
108 HH12 ARG 14 HH12 ARG 14 41.820 20.621 1.950
109 HH21 ARG 14 HH21 ARG 14 41.728 17.341 3.070
110 HH22 ARG 14 HH22 ARG 14 42.082 18.984 3.486
111 H PHE 15 HN PHE 15 44.970 13.725 -2.548
112 HA PHE 15 HA PHE 15 43.358 14.903 -4.575
113 HB2 PHE 15 HB2 PHE 15 45.623 14.052 -4.997
114 HB3 PHE 15 HB1 PHE 15 45.077 12.390 -4.676
115 HD1 PHE 15 HD1 PHE 15 44.608 15.336 -6.943
116 HD2 PHE 15 HD2 PHE 15 43.972 11.104 -6.375
117 HE1 PHE 15 HE1 PHE 15 43.886 15.126 -9.318
118 HE2 PHE 15 HE2 PHE 15 43.250 10.894 -8.750
119 HZ PHE 15 HZ PHE 15 43.156 12.913 -10.206
120 H ILE 16 HN ILE 16 43.400 11.521 -3.349
121 HA ILE 16 HA ILE 16 41.097 10.747 -4.903
122 HB ILE 16 HB ILE 16 42.000 9.453 -2.295
123 HG12 ILE 16 HG12 ILE 16 43.092 9.084 -5.121
124 HG13 ILE 16 HG11 ILE 16 43.967 9.805 -3.750
125 HG21 ILE 16 HG21 ILE 16 40.997 7.474 -3.193
126 HG22 ILE 16 HG22 ILE 16 40.865 8.186 -4.819
127 HG23 ILE 16 HG23 ILE 16 39.824 8.774 -3.501
128 HD11 ILE 16 HD1 ILE 16 43.093 6.920 -4.130
129 HD12 ILE 16 HD2 ILE 16 43.489 7.562 -2.517
130 HD13 ILE 16 HD3 ILE 16 44.721 7.553 -3.799
131 H HIS 17 HN HIS 17 41.206 10.710 -1.304
132 HA HIS 17 HA HIS 17 39.065 12.642 -1.025
133 HB2 HIS 17 HB2 HIS 17 38.383 9.686 -1.064
134 HB3 HIS 17 HB1 HIS 17 37.475 10.786 -0.002
135 HD1 HIS 17 HD1 HIS 17 36.905 13.214 -1.547
136 HD2 HIS 17 HD2 HIS 17 37.068 9.480 -3.470
137 HE1 HIS 17 HE1 HIS 17 35.557 13.410 -3.708
138 H GLY 18 HN GLY 18 40.899 13.280 0.324
139 HA2 GLY 18 HA1 GLY 18 41.866 13.479 2.426
140 HA3 GLY 18 HA2 GLY 18 40.479 12.592 3.066
141 H MET 19 HN MET 19 42.642 11.270 0.634
142 HA MET 19 HA MET 19 44.070 9.505 0.929
143 HB2 MET 19 HB2 MET 19 44.812 10.965 2.989
144 HB3 MET 19 HB1 MET 19 44.081 9.621 3.886
145 HG2 MET 19 HG2 MET 19 45.541 8.044 2.511
146 HG3 MET 19 HG1 MET 19 46.389 9.486 1.904
147 HE1 MET 19 HE1 MET 19 47.587 7.045 3.296
148 HE2 MET 19 HE2 MET 19 48.683 7.636 4.567
149 HE3 MET 19 HE3 MET 19 48.711 8.382 2.952
150 H ILE 20 HN ILE 20 41.031 9.609 1.805
151 HA ILE 20 HA ILE 20 39.481 7.945 2.272
152 HB ILE 20 HB ILE 20 41.639 5.871 1.636
153 HG12 ILE 20 HG12 ILE 20 41.276 7.672 -0.203
154 HG13 ILE 20 HG11 ILE 20 41.114 5.971 -0.678
155 HG21 ILE 20 HG21 ILE 20 38.601 5.844 1.678
156 HG22 ILE 20 HG22 ILE 20 39.725 4.876 2.659
157 HG23 ILE 20 HG23 ILE 20 39.573 4.566 0.913
158 HD11 ILE 20 HD1 ILE 20 39.292 7.544 -1.544
159 HD12 ILE 20 HD2 ILE 20 38.723 7.678 0.132
160 HD13 ILE 20 HD3 ILE 20 38.712 6.101 -0.686
161 H GLN 21 HN GLN 21 42.527 8.384 3.645
162 HA GLN 21 HA GLN 21 41.749 6.773 6.112
163 HB2 GLN 21 HB2 GLN 21 44.409 7.489 4.842
164 HB3 GLN 21 HB1 GLN 21 44.321 7.229 6.598
165 HG2 GLN 21 HG2 GLN 21 44.913 5.141 5.378
166 HG3 GLN 21 HG1 GLN 21 43.364 4.987 6.241
167 HE21 GLN 21 HE21 GLN 21 41.428 4.698 5.009
168 HE22 GLN 21 HE22 GLN 21 41.452 4.528 3.251
169 H ASN 22 HN ASN 22 41.599 9.816 4.753
170 HA ASN 22 HA ASN 22 41.749 11.084 7.472
171 HB2 ASN 22 HB2 ASN 22 43.578 11.632 5.428
172 HB3 ASN 22 HB1 ASN 22 42.312 12.837 5.098
173 HD21 ASN 22 HD21 ASN 22 44.997 12.032 7.173
174 HD22 ASN 22 HD22 ASN 22 44.798 13.381 8.296
175 H HIS 23 HN HIS 23 40.461 10.659 4.207
176 HA HIS 23 HA HIS 23 38.413 11.382 3.301
177 HB2 HIS 23 HB2 HIS 23 37.649 9.641 4.851
178 HB3 HIS 23 HB1 HIS 23 37.542 10.834 6.166
179 HD1 HIS 23 HD1 HIS 23 35.061 11.055 6.543
180 HD2 HIS 23 HD2 HIS 23 36.082 11.230 2.467
181 HE1 HIS 23 HE1 HIS 23 32.947 11.690 5.256
182 H HIS 24 HN HIS 24 36.901 12.546 6.132
183 HA HIS 24 HA HIS 24 36.729 15.228 5.018
184 HB2 HIS 24 HB2 HIS 24 34.919 14.094 6.357
185 HB3 HIS 24 HB1 HIS 24 35.946 14.275 7.800
186 HD1 HIS 24 HD1 HIS 24 34.812 16.605 4.940
187 HD2 HIS 24 HD2 HIS 24 35.322 16.610 9.115
188 HE1 HIS 24 HE1 HIS 24 34.073 18.896 5.795
Start of MODEL 2
1 H1 PHE 1 HT1 PHE 1 61.370 0.314 3.170
2 H2 PHE 1 HT2 PHE 1 62.441 -0.046 4.439
3 H3 PHE 1 HT3 PHE 1 62.212 1.564 3.945
4 HA PHE 1 HA PHE 1 60.257 -0.206 5.263
5 HB2 PHE 1 HB2 PHE 1 61.415 2.457 6.164
6 HB3 PHE 1 HB1 PHE 1 60.419 1.325 7.110
7 HD1 PHE 1 HD1 PHE 1 63.769 1.944 5.646
8 HD2 PHE 1 HD2 PHE 1 61.360 -0.749 8.006
9 HE1 PHE 1 HE1 PHE 1 65.827 0.743 6.375
10 HE2 PHE 1 HE2 PHE 1 63.418 -1.951 8.735
11 HZ PHE 1 HZ PHE 1 65.654 -1.176 7.955
12 H LEU 2 HN LEU 2 60.927 2.922 3.679
13 HA LEU 2 HA LEU 2 58.215 3.902 3.936
14 HB2 LEU 2 HB2 LEU 2 60.230 4.677 1.797
15 HB3 LEU 2 HB1 LEU 2 58.897 5.656 2.451
16 HG LEU 2 HG LEU 2 61.321 4.697 4.042
17 HD11 LEU 2 HD11 LEU 2 61.864 6.415 2.327
18 HD12 LEU 2 HD12 LEU 2 62.010 7.063 3.978
19 HD13 LEU 2 HD13 LEU 2 60.587 7.464 2.987
20 HD21 LEU 2 HD21 LEU 2 60.374 6.507 5.657
21 HD22 LEU 2 HD22 LEU 2 59.514 4.954 5.583
22 HD23 LEU 2 HD23 LEU 2 58.866 6.370 4.721
23 H GLY 3 HN GLY 3 56.889 2.142 3.301
24 HA2 GLY 3 HA1 GLY 3 57.119 0.981 0.657
25 HA3 GLY 3 HA2 GLY 3 55.751 0.813 1.776
26 H ALA 4 HN ALA 4 56.070 4.010 1.713
27 HA ALA 4 HA ALA 4 53.816 4.375 -0.067
28 HB1 ALA 4 HB1 ALA 4 54.180 5.805 1.888
29 HB2 ALA 4 HB2 ALA 4 54.160 6.779 0.398
30 HB3 ALA 4 HB3 ALA 4 55.707 6.394 1.190
31 H LEU 5 HN LEU 5 53.680 5.269 -2.092
32 HA LEU 5 HA LEU 5 56.070 4.957 -3.763
33 HB2 LEU 5 HB2 LEU 5 53.426 6.177 -4.621
34 HB3 LEU 5 HB1 LEU 5 54.605 5.272 -5.601
35 HG LEU 5 HG LEU 5 52.860 4.153 -3.362
36 HD11 LEU 5 HD11 LEU 5 51.799 2.879 -5.157
37 HD12 LEU 5 HD12 LEU 5 52.938 3.548 -6.350
38 HD13 LEU 5 HD13 LEU 5 51.744 4.610 -5.565
39 HD21 LEU 5 HD21 LEU 5 55.115 2.939 -5.015
40 HD22 LEU 5 HD22 LEU 5 53.869 1.936 -4.233
41 HD23 LEU 5 HD23 LEU 5 54.935 2.959 -3.244
42 H ILE 6 HN ILE 6 56.140 7.027 -1.649
43 HA ILE 6 HA ILE 6 56.620 9.319 -1.374
44 HB ILE 6 HB ILE 6 57.939 9.295 -4.131
45 HG12 ILE 6 HG12 ILE 6 58.828 7.620 -1.737
46 HG13 ILE 6 HG11 ILE 6 58.337 7.011 -3.334
47 HG21 ILE 6 HG21 ILE 6 59.134 10.034 -1.430
48 HG22 ILE 6 HG22 ILE 6 58.070 11.159 -2.303
49 HG23 ILE 6 HG23 ILE 6 59.591 10.616 -3.049
50 HD11 ILE 6 HD1 ILE 6 60.724 7.019 -3.377
51 HD12 ILE 6 HD2 ILE 6 60.810 8.627 -2.619
52 HD13 ILE 6 HD3 ILE 6 60.240 8.463 -4.298
53 H LYS 7 HN LYS 7 57.166 11.068 -3.852
54 HA LYS 7 HA LYS 7 55.861 12.820 -4.669
55 HB2 LYS 7 HB2 LYS 7 53.636 10.742 -4.980
56 HB3 LYS 7 HB1 LYS 7 53.764 12.298 -5.835
57 HG2 LYS 7 HG2 LYS 7 55.997 11.425 -6.780
58 HG3 LYS 7 HG1 LYS 7 55.513 9.828 -6.162
59 HD2 LYS 7 HD2 LYS 7 53.950 11.542 -8.146
60 HD3 LYS 7 HD1 LYS 7 54.853 10.057 -8.524
61 HE2 LYS 7 HE2 LYS 7 53.336 8.917 -6.736
62 HE3 LYS 7 HE1 LYS 7 52.307 10.361 -6.899
63 HZ1 LYS 7 HZ1 LYS 7 53.175 9.130 -9.387
64 HZ2 LYS 7 HZ2 LYS 7 51.663 9.774 -8.957
65 HZ3 LYS 7 HZ3 LYS 7 52.097 8.210 -8.456
66 H GLY 8 HN GLY 8 56.156 11.719 -2.213
67 HA2 GLY 8 HA1 GLY 8 55.478 11.471 -0.114
68 HA3 GLY 8 HA2 GLY 8 55.113 13.235 -0.268
69 H ALA 9 HN ALA 9 53.851 9.964 -0.528
70 HA ALA 9 HA ALA 9 51.758 9.080 -0.230
71 HB1 ALA 9 HB1 ALA 9 51.912 10.526 1.876
72 HB2 ALA 9 HB2 ALA 9 50.273 10.112 1.321
73 HB3 ALA 9 HB3 ALA 9 50.940 11.730 1.001
74 H ILE 10 HN ILE 10 51.807 9.282 -2.609
75 HA ILE 10 HA ILE 10 50.988 10.048 -4.635
76 HB ILE 10 HB ILE 10 48.278 10.425 -4.395
77 HG12 ILE 10 HG12 ILE 10 49.108 8.851 -1.903
78 HG13 ILE 10 HG11 ILE 10 48.288 10.430 -1.928
79 HG21 ILE 10 HG21 ILE 10 48.001 8.068 -4.846
80 HG22 ILE 10 HG22 ILE 10 49.535 7.669 -4.038
81 HG23 ILE 10 HG23 ILE 10 49.541 8.550 -5.584
82 HD11 ILE 10 HD1 ILE 10 46.469 9.166 -3.360
83 HD12 ILE 10 HD2 ILE 10 46.497 8.943 -1.596
84 HD13 ILE 10 HD3 ILE 10 47.198 7.702 -2.660
85 H HIS 11 HN HIS 11 48.596 11.966 -2.804
86 HA HIS 11 HA HIS 11 50.039 14.458 -3.679
87 HB2 HIS 11 HB2 HIS 11 48.094 13.765 -5.246
88 HB3 HIS 11 HB1 HIS 11 47.017 14.162 -3.888
89 HD1 HIS 11 HD1 HIS 11 47.019 16.674 -3.029
90 HD2 HIS 11 HD2 HIS 11 49.266 16.001 -6.518
91 HE1 HIS 11 HE1 HIS 11 47.474 18.952 -4.094
92 H GLY 12 HN GLY 12 50.106 13.224 -1.137
93 HA2 GLY 12 HA1 GLY 12 49.841 13.823 1.083
94 HA3 GLY 12 HA2 GLY 12 49.390 15.439 0.509
95 H GLY 13 HN GLY 13 47.906 12.168 0.303
96 HA2 GLY 13 HA1 GLY 13 45.699 11.537 0.665
97 HA3 GLY 13 HA2 GLY 13 45.846 12.514 2.141
98 H ARG 14 HN ARG 14 45.510 13.050 -1.391
99 HA ARG 14 HA ARG 14 43.026 14.571 -0.931
100 HB2 ARG 14 HB2 ARG 14 44.689 16.314 -0.506
101 HB3 ARG 14 HB1 ARG 14 45.552 15.901 -2.002
102 HG2 ARG 14 HG2 ARG 14 44.093 17.925 -2.245
103 HG3 ARG 14 HG1 ARG 14 43.637 16.621 -3.359
104 HD2 ARG 14 HD2 ARG 14 41.682 16.093 -2.136
105 HD3 ARG 14 HD1 ARG 14 42.291 16.856 -0.646
106 HE ARG 14 HE ARG 14 42.101 18.938 -2.508
107 HH11 ARG 14 HH11 ARG 14 40.213 20.146 -2.808
108 HH12 ARG 14 HH12 ARG 14 38.712 19.548 -2.185
109 HH21 ARG 14 HH21 ARG 14 40.082 16.604 -0.974
110 HH22 ARG 14 HH22 ARG 14 38.638 17.543 -1.146
111 H PHE 15 HN PHE 15 45.447 13.047 -2.945
112 HA PHE 15 HA PHE 15 44.520 13.581 -5.531
113 HB2 PHE 15 HB2 PHE 15 46.467 12.082 -4.855
114 HB3 PHE 15 HB1 PHE 15 45.272 10.800 -4.561
115 HD1 PHE 15 HD1 PHE 15 43.966 9.831 -6.419
116 HD2 PHE 15 HD2 PHE 15 46.963 12.855 -7.122
117 HE1 PHE 15 HE1 PHE 15 43.934 9.295 -8.852
118 HE2 PHE 15 HE2 PHE 15 46.933 12.320 -9.555
119 HZ PHE 15 HZ PHE 15 45.415 10.542 -10.421
120 H ILE 16 HN ILE 16 43.375 10.949 -3.356
121 HA ILE 16 HA ILE 16 41.124 10.389 -5.173
122 HB ILE 16 HB ILE 16 41.417 9.276 -2.352
123 HG12 ILE 16 HG12 ILE 16 42.863 8.385 -4.892
124 HG13 ILE 16 HG11 ILE 16 43.624 9.057 -3.432
125 HG21 ILE 16 HG21 ILE 16 40.246 7.371 -3.313
126 HG22 ILE 16 HG22 ILE 16 40.423 8.032 -4.955
127 HG23 ILE 16 HG23 ILE 16 39.361 8.841 -3.779
128 HD11 ILE 16 HD1 ILE 16 43.898 6.735 -3.126
129 HD12 ILE 16 HD2 ILE 16 42.305 6.354 -3.817
130 HD13 ILE 16 HD3 ILE 16 42.422 7.068 -2.189
131 H HIS 17 HN HIS 17 41.010 10.883 -1.585
132 HA HIS 17 HA HIS 17 39.390 13.261 -1.762
133 HB2 HIS 17 HB2 HIS 17 37.700 11.702 -2.683
134 HB3 HIS 17 HB1 HIS 17 37.883 10.660 -1.252
135 HD1 HIS 17 HD1 HIS 17 36.517 11.227 0.782
136 HD2 HIS 17 HD2 HIS 17 36.744 14.431 -1.932
137 HE1 HIS 17 HE1 HIS 17 34.925 13.045 1.614
138 H GLY 18 HN GLY 18 41.269 13.445 -0.228
139 HA2 GLY 18 HA1 GLY 18 41.993 13.591 1.981
140 HA3 GLY 18 HA2 GLY 18 40.319 13.306 2.449
141 H MET 19 HN MET 19 42.813 11.480 0.786
142 HA MET 19 HA MET 19 43.210 9.250 0.990
143 HB2 MET 19 HB2 MET 19 44.608 10.583 2.738
144 HB3 MET 19 HB1 MET 19 43.643 9.636 3.888
145 HG2 MET 19 HG2 MET 19 44.392 7.547 2.608
146 HG3 MET 19 HG1 MET 19 45.539 8.595 1.743
147 HE1 MET 19 HE1 MET 19 47.711 6.556 4.289
148 HE2 MET 19 HE2 MET 19 47.455 6.995 2.583
149 HE3 MET 19 HE3 MET 19 46.234 6.030 3.447
150 H ILE 20 HN ILE 20 40.385 9.983 1.532
151 HA ILE 20 HA ILE 20 38.507 8.884 2.350
152 HB ILE 20 HB ILE 20 40.378 6.518 1.859
153 HG12 ILE 20 HG12 ILE 20 38.900 6.081 -0.003
154 HG13 ILE 20 HG11 ILE 20 37.699 7.247 0.597
155 HG21 ILE 20 HG21 ILE 20 39.067 5.682 3.666
156 HG22 ILE 20 HG22 ILE 20 38.221 5.116 2.208
157 HG23 ILE 20 HG23 ILE 20 37.604 6.525 3.106
158 HD11 ILE 20 HD1 ILE 20 39.191 8.048 -1.336
159 HD12 ILE 20 HD2 ILE 20 40.531 8.071 -0.166
160 HD13 ILE 20 HD3 ILE 20 39.114 9.121 0.079
161 H GLN 21 HN GLN 21 41.434 9.307 3.796
162 HA GLN 21 HA GLN 21 40.264 8.765 6.538
163 HB2 GLN 21 HB2 GLN 21 42.961 7.807 5.512
164 HB3 GLN 21 HB1 GLN 21 42.520 7.876 7.235
165 HG2 GLN 21 HG2 GLN 21 40.555 6.409 6.767
166 HG3 GLN 21 HG1 GLN 21 41.071 6.293 5.067
167 HE21 GLN 21 HE21 GLN 21 42.798 4.867 4.534
168 HE22 GLN 21 HE22 GLN 21 43.614 3.872 5.744
169 H ASN 22 HN ASN 22 42.212 10.735 4.345
170 HA ASN 22 HA ASN 22 43.379 12.259 6.616
171 HB2 ASN 22 HB2 ASN 22 44.751 12.027 4.608
172 HB3 ASN 22 HB1 ASN 22 43.453 12.698 3.600
173 HD21 ASN 22 HD21 ASN 22 44.174 13.944 6.868
174 HD22 ASN 22 HD22 ASN 22 44.803 15.498 6.312
175 H HIS 23 HN HIS 23 40.862 12.363 4.140
176 HA HIS 23 HA HIS 23 38.847 13.586 4.171
177 HB2 HIS 23 HB2 HIS 23 39.118 13.277 6.766
178 HB3 HIS 23 HB1 HIS 23 39.594 14.990 6.758
179 HD1 HIS 23 HD1 HIS 23 37.701 16.559 7.088
180 HD2 HIS 23 HD2 HIS 23 36.491 13.043 5.122
181 HE1 HIS 23 HE1 HIS 23 35.182 16.732 6.701
182 H HIS 24 HN HIS 24 38.225 16.178 4.875
183 HA HIS 24 HA HIS 24 38.429 18.304 3.961
184 HB2 HIS 24 HB2 HIS 24 41.339 17.767 4.674
185 HB3 HIS 24 HB1 HIS 24 40.676 19.364 4.250
186 HD1 HIS 24 HD1 HIS 24 40.471 16.637 6.901
187 HD2 HIS 24 HD2 HIS 24 39.092 20.559 6.274
188 HE1 HIS 24 HE1 HIS 24 39.535 17.479 9.123
Start of MODEL 3
1 H1 PHE 1 HT1 PHE 1 61.115 2.491 0.299
2 H2 PHE 1 HT2 PHE 1 62.070 1.532 1.329
3 H3 PHE 1 HT3 PHE 1 62.806 2.560 0.193
4 HA PHE 1 HA PHE 1 62.179 3.095 2.817
5 HB2 PHE 1 HB2 PHE 1 63.082 4.838 0.491
6 HB3 PHE 1 HB1 PHE 1 63.105 5.349 2.197
7 HD1 PHE 1 HD1 PHE 1 64.593 3.074 -0.322
8 HD2 PHE 1 HD2 PHE 1 64.666 4.352 3.800
9 HE1 PHE 1 HE1 PHE 1 66.774 1.913 -0.002
10 HE2 PHE 1 HE2 PHE 1 66.848 3.190 4.121
11 HZ PHE 1 HZ PHE 1 67.862 1.909 2.240
12 H LEU 2 HN LEU 2 60.490 3.957 3.822
13 HA LEU 2 HA LEU 2 58.396 4.917 4.112
14 HB2 LEU 2 HB2 LEU 2 59.108 6.781 1.823
15 HB3 LEU 2 HB1 LEU 2 58.135 7.121 3.273
16 HG LEU 2 HG LEU 2 61.133 6.563 3.189
17 HD11 LEU 2 HD11 LEU 2 61.370 8.882 3.844
18 HD12 LEU 2 HD12 LEU 2 59.610 9.061 4.046
19 HD13 LEU 2 HD13 LEU 2 60.303 8.836 2.422
20 HD21 LEU 2 HD21 LEU 2 60.338 5.620 5.242
21 HD22 LEU 2 HD22 LEU 2 59.167 6.939 5.488
22 HD23 LEU 2 HD23 LEU 2 60.911 7.246 5.676
23 H GLY 3 HN GLY 3 57.437 2.924 3.294
24 HA2 GLY 3 HA1 GLY 3 56.715 2.536 0.578
25 HA3 GLY 3 HA2 GLY 3 55.876 1.843 1.979
26 H ALA 4 HN ALA 4 56.040 4.543 -0.283
27 HA ALA 4 HA ALA 4 53.146 4.946 -0.019
28 HB1 ALA 4 HB1 ALA 4 53.186 7.212 0.750
29 HB2 ALA 4 HB2 ALA 4 54.965 7.269 0.686
30 HB3 ALA 4 HB3 ALA 4 54.149 6.258 1.902
31 H LEU 5 HN LEU 5 55.673 4.532 -1.868
32 HA LEU 5 HA LEU 5 56.291 5.176 -4.013
33 HB2 LEU 5 HB2 LEU 5 53.295 5.649 -4.003
34 HB3 LEU 5 HB1 LEU 5 54.261 5.910 -5.468
35 HG LEU 5 HG LEU 5 53.153 3.609 -5.222
36 HD11 LEU 5 HD11 LEU 5 56.179 3.355 -5.427
37 HD12 LEU 5 HD12 LEU 5 55.230 4.191 -6.677
38 HD13 LEU 5 HD13 LEU 5 54.918 2.479 -6.319
39 HD21 LEU 5 HD21 LEU 5 54.122 1.986 -3.726
40 HD22 LEU 5 HD22 LEU 5 53.723 3.420 -2.753
41 HD23 LEU 5 HD23 LEU 5 55.409 3.109 -3.230
42 H ILE 6 HN ILE 6 56.113 7.261 -1.739
43 HA ILE 6 HA ILE 6 56.297 9.595 -1.486
44 HB ILE 6 HB ILE 6 57.634 9.785 -4.224
45 HG12 ILE 6 HG12 ILE 6 58.288 7.504 -3.395
46 HG13 ILE 6 HG11 ILE 6 59.648 8.634 -3.501
47 HG21 ILE 6 HG21 ILE 6 58.338 10.715 -1.400
48 HG22 ILE 6 HG22 ILE 6 57.736 11.713 -2.740
49 HG23 ILE 6 HG23 ILE 6 59.356 10.988 -2.832
50 HD11 ILE 6 HD1 ILE 6 59.429 7.164 -1.353
51 HD12 ILE 6 HD2 ILE 6 58.140 8.293 -0.887
52 HD13 ILE 6 HD3 ILE 6 59.793 8.891 -1.155
53 H LYS 7 HN LYS 7 56.601 11.351 -4.051
54 HA LYS 7 HA LYS 7 55.052 12.885 -4.887
55 HB2 LYS 7 HB2 LYS 7 53.095 10.540 -5.056
56 HB3 LYS 7 HB1 LYS 7 53.039 12.050 -5.997
57 HG2 LYS 7 HG2 LYS 7 55.213 11.434 -7.064
58 HG3 LYS 7 HG1 LYS 7 55.189 9.893 -6.174
59 HD2 LYS 7 HD2 LYS 7 53.062 9.275 -7.260
60 HD3 LYS 7 HD1 LYS 7 53.040 10.830 -8.126
61 HE2 LYS 7 HE2 LYS 7 53.918 9.023 -9.576
62 HE3 LYS 7 HE1 LYS 7 55.173 10.241 -9.244
63 HZ1 LYS 7 HZ1 LYS 7 54.873 7.807 -7.578
64 HZ2 LYS 7 HZ2 LYS 7 56.213 8.844 -7.706
65 HZ3 LYS 7 HZ3 LYS 7 55.810 7.808 -8.992
66 H GLY 8 HN GLY 8 55.559 11.938 -2.403
67 HA2 GLY 8 HA1 GLY 8 54.950 11.657 -0.280
68 HA3 GLY 8 HA2 GLY 8 54.362 13.355 -0.478
69 H ALA 9 HN ALA 9 53.550 9.961 -0.356
70 HA ALA 9 HA ALA 9 51.566 8.837 -0.053
71 HB1 ALA 9 HB1 ALA 9 50.670 11.455 1.207
72 HB2 ALA 9 HB2 ALA 9 51.617 10.196 2.038
73 HB3 ALA 9 HB3 ALA 9 49.963 9.845 1.481
74 H ILE 10 HN ILE 10 51.515 9.085 -2.480
75 HA ILE 10 HA ILE 10 50.251 9.354 -4.383
76 HB ILE 10 HB ILE 10 48.162 9.653 -2.227
77 HG12 ILE 10 HG12 ILE 10 47.050 7.896 -3.581
78 HG13 ILE 10 HG11 ILE 10 48.314 8.061 -4.822
79 HG21 ILE 10 HG21 ILE 10 47.350 11.496 -3.487
80 HG22 ILE 10 HG22 ILE 10 46.397 10.106 -4.054
81 HG23 ILE 10 HG23 ILE 10 47.746 10.718 -5.040
82 HD11 ILE 10 HD1 ILE 10 50.014 7.246 -3.344
83 HD12 ILE 10 HD2 ILE 10 48.624 6.160 -3.112
84 HD13 ILE 10 HD3 ILE 10 48.966 7.432 -1.916
85 H HIS 11 HN HIS 11 49.063 12.058 -2.317
86 HA HIS 11 HA HIS 11 50.521 13.982 -4.051
87 HB2 HIS 11 HB2 HIS 11 48.319 13.648 -5.175
88 HB3 HIS 11 HB1 HIS 11 47.499 14.097 -3.660
89 HD1 HIS 11 HD1 HIS 11 46.606 16.409 -3.992
90 HD2 HIS 11 HD2 HIS 11 50.556 16.011 -5.380
91 HE1 HIS 11 HE1 HIS 11 47.377 18.719 -4.768
92 H GLY 12 HN GLY 12 49.516 12.814 -1.138
93 HA2 GLY 12 HA1 GLY 12 50.525 13.986 0.827
94 HA3 GLY 12 HA2 GLY 12 49.855 15.504 0.204
95 H GLY 13 HN GLY 13 48.548 12.190 0.706
96 HA2 GLY 13 HA1 GLY 13 46.495 11.567 1.611
97 HA3 GLY 13 HA2 GLY 13 47.024 12.584 2.965
98 H ARG 14 HN ARG 14 45.673 12.973 -0.334
99 HA ARG 14 HA ARG 14 43.608 14.826 0.830
100 HB2 ARG 14 HB2 ARG 14 45.567 16.020 -0.346
101 HB3 ARG 14 HB1 ARG 14 44.983 15.284 -1.850
102 HG2 ARG 14 HG2 ARG 14 43.006 16.815 -0.115
103 HG3 ARG 14 HG1 ARG 14 44.162 17.727 -1.103
104 HD2 ARG 14 HD2 ARG 14 42.142 15.672 -2.118
105 HD3 ARG 14 HD1 ARG 14 42.094 17.430 -2.357
106 HE ARG 14 HE ARG 14 44.574 16.332 -3.363
107 HH11 ARG 14 HH11 ARG 14 44.643 15.613 -5.543
108 HH12 ARG 14 HH12 ARG 14 43.308 15.997 -6.577
109 HH21 ARG 14 HH21 ARG 14 41.356 17.292 -4.022
110 HH22 ARG 14 HH22 ARG 14 41.448 16.945 -5.716
111 H PHE 15 HN PHE 15 44.636 13.137 -2.178
112 HA PHE 15 HA PHE 15 42.011 12.930 -3.251
113 HB2 PHE 15 HB2 PHE 15 44.304 12.488 -4.382
114 HB3 PHE 15 HB1 PHE 15 44.177 10.850 -3.709
115 HD1 PHE 15 HD1 PHE 15 41.963 9.540 -4.179
116 HD2 PHE 15 HD2 PHE 15 43.213 13.009 -6.426
117 HE1 PHE 15 HE1 PHE 15 40.455 8.874 -6.045
118 HE2 PHE 15 HE2 PHE 15 41.702 12.342 -8.291
119 HZ PHE 15 HZ PHE 15 40.311 10.285 -8.095
120 H ILE 16 HN ILE 16 43.854 10.068 -2.122
121 HA ILE 16 HA ILE 16 41.317 8.787 -1.309
122 HB ILE 16 HB ILE 16 42.866 6.897 -0.606
123 HG12 ILE 16 HG12 ILE 16 44.986 8.664 -1.921
124 HG13 ILE 16 HG11 ILE 16 44.858 8.372 -0.173
125 HG21 ILE 16 HG21 ILE 16 43.251 6.143 -2.847
126 HG22 ILE 16 HG22 ILE 16 43.404 7.805 -3.463
127 HG23 ILE 16 HG23 ILE 16 41.819 7.190 -2.941
128 HD11 ILE 16 HD1 ILE 16 44.978 5.844 -0.780
129 HD12 ILE 16 HD2 ILE 16 46.475 6.797 -0.907
130 HD13 ILE 16 HD3 ILE 16 45.549 6.397 -2.373
131 H HIS 17 HN HIS 17 41.524 11.068 0.086
132 HA HIS 17 HA HIS 17 42.136 10.066 2.862
133 HB2 HIS 17 HB2 HIS 17 44.042 11.485 2.045
134 HB3 HIS 17 HB1 HIS 17 42.892 12.828 1.840
135 HD1 HIS 17 HD1 HIS 17 43.096 14.397 3.764
136 HD2 HIS 17 HD2 HIS 17 43.461 10.380 4.962
137 HE1 HIS 17 HE1 HIS 17 43.347 14.381 6.308
138 H GLY 18 HN GLY 18 40.955 13.064 1.208
139 HA2 GLY 18 HA1 GLY 18 39.009 13.639 3.230
140 HA3 GLY 18 HA2 GLY 18 38.972 14.220 1.544
141 H MET 19 HN MET 19 38.655 12.372 -0.029
142 HA MET 19 HA MET 19 37.408 10.048 0.426
143 HB2 MET 19 HB2 MET 19 35.469 11.976 1.248
144 HB3 MET 19 HB1 MET 19 34.906 11.366 -0.315
145 HG2 MET 19 HG2 MET 19 33.984 10.008 1.507
146 HG3 MET 19 HG1 MET 19 35.097 9.038 0.518
147 HE1 MET 19 HE1 MET 19 34.105 8.118 3.187
148 HE2 MET 19 HE2 MET 19 35.542 7.614 4.108
149 HE3 MET 19 HE3 MET 19 35.398 7.195 2.384
150 H ILE 20 HN ILE 20 38.811 9.748 -1.259
151 HA ILE 20 HA ILE 20 39.274 9.524 -3.523
152 HB ILE 20 HB ILE 20 36.433 10.374 -4.218
153 HG12 ILE 20 HG12 ILE 20 37.373 7.651 -3.191
154 HG13 ILE 20 HG11 ILE 20 36.197 8.724 -2.404
155 HG21 ILE 20 HG21 ILE 20 38.136 8.171 -5.457
156 HG22 ILE 20 HG22 ILE 20 38.299 9.864 -5.965
157 HG23 ILE 20 HG23 ILE 20 36.746 9.027 -6.163
158 HD11 ILE 20 HD1 ILE 20 34.863 7.116 -3.533
159 HD12 ILE 20 HD2 ILE 20 35.885 7.164 -4.988
160 HD13 ILE 20 HD3 ILE 20 34.827 8.542 -4.597
161 H GLN 21 HN GLN 21 38.966 11.945 -1.790
162 HA GLN 21 HA GLN 21 40.132 14.028 -2.165
163 HB2 GLN 21 HB2 GLN 21 40.287 15.163 -4.215
164 HB3 GLN 21 HB1 GLN 21 40.305 13.477 -4.746
165 HG2 GLN 21 HG2 GLN 21 37.595 13.931 -4.831
166 HG3 GLN 21 HG1 GLN 21 38.173 15.588 -5.090
167 HE21 GLN 21 HE21 GLN 21 37.689 12.481 -6.590
168 HE22 GLN 21 HE22 GLN 21 38.450 12.882 -8.133
169 H ASN 22 HN ASN 22 37.622 12.897 -1.243
170 HA ASN 22 HA ASN 22 35.569 13.559 -0.465
171 HB2 ASN 22 HB2 ASN 22 36.875 15.001 0.888
172 HB3 ASN 22 HB1 ASN 22 37.036 16.204 -0.425
173 HD21 ASN 22 HD21 ASN 22 36.017 17.732 1.247
174 HD22 ASN 22 HD22 ASN 22 34.256 17.725 1.387
175 H HIS 23 HN HIS 23 35.859 13.164 -3.167
176 HA HIS 23 HA HIS 23 34.879 13.695 -5.226
177 HB2 HIS 23 HB2 HIS 23 32.970 12.906 -3.734
178 HB3 HIS 23 HB1 HIS 23 32.550 14.619 -3.502
179 HD1 HIS 23 HD1 HIS 23 31.130 15.703 -5.269
180 HD2 HIS 23 HD2 HIS 23 32.817 12.075 -6.563
181 HE1 HIS 23 HE1 HIS 23 30.175 15.201 -7.585
182 H HIS 24 HN HIS 24 36.421 15.882 -3.959
183 HA HIS 24 HA HIS 24 35.603 17.989 -5.783
184 HB2 HIS 24 HB2 HIS 24 33.961 18.292 -3.888
185 HB3 HIS 24 HB1 HIS 24 35.344 18.607 -2.815
186 HD1 HIS 24 HD1 HIS 24 35.422 19.791 -6.397
187 HD2 HIS 24 HD2 HIS 24 34.558 21.371 -2.597
188 HE1 HIS 24 HE1 HIS 24 35.368 22.335 -6.624
Start of MODEL 4
1 H1 PHE 1 HT1 PHE 1 49.219 6.837 2.408
2 H2 PHE 1 HT2 PHE 1 49.237 8.431 2.996
3 H3 PHE 1 HT3 PHE 1 48.108 7.311 3.598
4 HA PHE 1 HA PHE 1 50.811 7.792 4.353
5 HB2 PHE 1 HB2 PHE 1 48.568 6.157 5.604
6 HB3 PHE 1 HB1 PHE 1 50.038 6.740 6.420
7 HD1 PHE 1 HD1 PHE 1 46.744 7.679 5.045
8 HD2 PHE 1 HD2 PHE 1 50.364 9.148 6.878
9 HE1 PHE 1 HE1 PHE 1 45.618 9.848 5.528
10 HE2 PHE 1 HE2 PHE 1 49.239 11.318 7.360
11 HZ PHE 1 HZ PHE 1 46.889 11.693 6.618
12 H LEU 2 HN LEU 2 50.925 6.284 2.026
13 HA LEU 2 HA LEU 2 51.116 3.438 2.669
14 HB2 LEU 2 HB2 LEU 2 52.420 4.822 0.302
15 HB3 LEU 2 HB1 LEU 2 51.797 3.158 0.415
16 HG LEU 2 HG LEU 2 50.145 5.723 0.443
17 HD11 LEU 2 HD11 LEU 2 50.287 3.414 -1.547
18 HD12 LEU 2 HD12 LEU 2 51.042 5.010 -1.777
19 HD13 LEU 2 HD13 LEU 2 49.269 4.868 -1.690
20 HD21 LEU 2 HD21 LEU 2 49.019 4.191 1.900
21 HD22 LEU 2 HD22 LEU 2 49.411 2.796 0.866
22 HD23 LEU 2 HD23 LEU 2 48.219 4.003 0.324
23 H GLY 3 HN GLY 3 53.456 6.100 2.115
24 HA2 GLY 3 HA1 GLY 3 55.591 6.357 2.999
25 HA3 GLY 3 HA2 GLY 3 55.328 4.913 3.996
26 H ALA 4 HN ALA 4 54.986 5.011 0.477
27 HA ALA 4 HA ALA 4 57.652 4.061 -0.100
28 HB1 ALA 4 HB1 ALA 4 55.452 1.965 -0.036
29 HB2 ALA 4 HB2 ALA 4 56.846 2.050 1.069
30 HB3 ALA 4 HB3 ALA 4 57.100 1.731 -0.663
31 H LEU 5 HN LEU 5 56.108 6.071 -1.164
32 HA LEU 5 HA LEU 5 56.039 5.258 -3.967
33 HB2 LEU 5 HB2 LEU 5 53.765 4.532 -2.895
34 HB3 LEU 5 HB1 LEU 5 53.405 6.270 -2.844
35 HG LEU 5 HG LEU 5 54.154 6.196 -5.413
36 HD11 LEU 5 HD11 LEU 5 54.899 3.850 -5.440
37 HD12 LEU 5 HD12 LEU 5 53.469 4.037 -6.477
38 HD13 LEU 5 HD13 LEU 5 53.304 3.314 -4.862
39 HD21 LEU 5 HD21 LEU 5 51.902 6.815 -4.703
40 HD22 LEU 5 HD22 LEU 5 51.502 5.115 -4.359
41 HD23 LEU 5 HD23 LEU 5 51.776 5.644 -6.037
42 H ILE 6 HN ILE 6 56.210 7.470 -1.417
43 HA ILE 6 HA ILE 6 56.417 9.810 -1.307
44 HB ILE 6 HB ILE 6 57.542 9.785 -4.151
45 HG12 ILE 6 HG12 ILE 6 58.825 8.461 -1.715
46 HG13 ILE 6 HG11 ILE 6 58.345 7.659 -3.228
47 HG21 ILE 6 HG21 ILE 6 59.033 11.420 -3.284
48 HG22 ILE 6 HG22 ILE 6 58.765 10.911 -1.599
49 HG23 ILE 6 HG23 ILE 6 57.493 11.789 -2.477
50 HD11 ILE 6 HD1 ILE 6 60.572 9.683 -2.800
51 HD12 ILE 6 HD2 ILE 6 59.937 9.305 -4.420
52 HD13 ILE 6 HD3 ILE 6 60.694 8.028 -3.440
53 H LYS 7 HN LYS 7 56.522 11.433 -3.952
54 HA LYS 7 HA LYS 7 54.913 12.919 -4.757
55 HB2 LYS 7 HB2 LYS 7 53.119 10.433 -4.783
56 HB3 LYS 7 HB1 LYS 7 52.736 11.980 -5.575
57 HG2 LYS 7 HG2 LYS 7 54.790 11.749 -6.974
58 HG3 LYS 7 HG1 LYS 7 55.102 10.166 -6.220
59 HD2 LYS 7 HD2 LYS 7 52.947 9.316 -7.061
60 HD3 LYS 7 HD1 LYS 7 52.586 10.906 -7.777
61 HE2 LYS 7 HE2 LYS 7 53.468 9.416 -9.513
62 HE3 LYS 7 HE1 LYS 7 54.652 10.702 -9.179
63 HZ1 LYS 7 HZ1 LYS 7 56.002 9.251 -7.992
64 HZ2 LYS 7 HZ2 LYS 7 55.475 8.295 -9.294
65 HZ3 LYS 7 HZ3 LYS 7 54.771 8.109 -7.759
66 H GLY 8 HN GLY 8 55.557 12.068 -2.269
67 HA2 GLY 8 HA1 GLY 8 55.082 11.885 -0.108
68 HA3 GLY 8 HA2 GLY 8 54.457 13.565 -0.344
69 H ALA 9 HN ALA 9 53.658 10.136 -0.290
70 HA ALA 9 HA ALA 9 51.737 9.006 0.260
71 HB1 ALA 9 HB1 ALA 9 51.893 10.595 2.256
72 HB2 ALA 9 HB2 ALA 9 50.279 9.933 1.898
73 HB3 ALA 9 HB3 ALA 9 50.682 11.601 1.427
74 H ILE 10 HN ILE 10 51.542 9.089 -2.140
75 HA ILE 10 HA ILE 10 50.182 9.212 -3.991
76 HB ILE 10 HB ILE 10 48.194 9.726 -1.776
77 HG12 ILE 10 HG12 ILE 10 48.068 7.905 -4.216
78 HG13 ILE 10 HG11 ILE 10 48.899 7.460 -2.710
79 HG21 ILE 10 HG21 ILE 10 47.333 11.421 -3.201
80 HG22 ILE 10 HG22 ILE 10 46.360 9.984 -3.575
81 HG23 ILE 10 HG23 ILE 10 47.672 10.476 -4.671
82 HD11 ILE 10 HD1 ILE 10 46.809 6.525 -2.271
83 HD12 ILE 10 HD2 ILE 10 45.940 7.717 -3.259
84 HD13 ILE 10 HD3 ILE 10 46.507 8.155 -1.631
85 H HIS 11 HN HIS 11 49.097 12.066 -2.088
86 HA HIS 11 HA HIS 11 50.561 13.882 -3.862
87 HB2 HIS 11 HB2 HIS 11 48.529 13.322 -5.223
88 HB3 HIS 11 HB1 HIS 11 47.513 13.920 -3.888
89 HD1 HIS 11 HD1 HIS 11 50.661 15.806 -4.233
90 HD2 HIS 11 HD2 HIS 11 46.817 15.990 -5.929
91 HE1 HIS 11 HE1 HIS 11 50.399 18.124 -5.276
92 H GLY 12 HN GLY 12 49.557 12.911 -1.003
93 HA2 GLY 12 HA1 GLY 12 49.990 14.143 1.007
94 HA3 GLY 12 HA2 GLY 12 49.660 15.668 0.160
95 H GLY 13 HN GLY 13 47.701 12.700 0.110
96 HA2 GLY 13 HA1 GLY 13 45.540 12.312 0.825
97 HA3 GLY 13 HA2 GLY 13 45.834 13.493 2.116
98 H ARG 14 HN ARG 14 46.015 14.146 -1.366
99 HA ARG 14 HA ARG 14 43.710 16.063 -1.038
100 HB2 ARG 14 HB2 ARG 14 45.816 16.030 -3.229
101 HB3 ARG 14 HB1 ARG 14 44.667 17.330 -2.833
102 HG2 ARG 14 HG2 ARG 14 46.962 16.338 -1.081
103 HG3 ARG 14 HG1 ARG 14 46.877 17.897 -1.933
104 HD2 ARG 14 HD2 ARG 14 44.661 18.261 -0.572
105 HD3 ARG 14 HD1 ARG 14 45.283 16.958 0.472
106 HE ARG 14 HE ARG 14 46.911 18.469 1.285
107 HH11 ARG 14 HH11 ARG 14 45.360 19.634 -1.567
108 HH12 ARG 14 HH12 ARG 14 46.154 21.173 -1.529
109 HH21 ARG 14 HH21 ARG 14 47.993 20.453 1.320
110 HH22 ARG 14 HH22 ARG 14 47.643 21.637 0.105
111 H PHE 15 HN PHE 15 44.892 13.228 -2.725
112 HA PHE 15 HA PHE 15 43.153 13.345 -4.996
113 HB2 PHE 15 HB2 PHE 15 45.104 11.746 -4.616
114 HB3 PHE 15 HB1 PHE 15 44.029 10.818 -3.543
115 HD1 PHE 15 HD1 PHE 15 42.347 9.355 -4.443
116 HD2 PHE 15 HD2 PHE 15 44.428 12.110 -7.036
117 HE1 PHE 15 HE1 PHE 15 41.347 8.240 -6.434
118 HE2 PHE 15 HE2 PHE 15 43.428 10.994 -9.025
119 HZ PHE 15 HZ PHE 15 41.942 9.017 -8.726
120 H ILE 16 HN ILE 16 42.751 12.082 -1.694
121 HA ILE 16 HA ILE 16 39.917 12.527 -1.740
122 HB ILE 16 HB ILE 16 39.871 10.560 -3.203
123 HG12 ILE 16 HG12 ILE 16 38.879 9.786 -0.420
124 HG13 ILE 16 HG11 ILE 16 38.076 10.974 -1.469
125 HG21 ILE 16 HG21 ILE 16 40.907 8.763 -0.991
126 HG22 ILE 16 HG22 ILE 16 42.071 9.611 -2.032
127 HG23 ILE 16 HG23 ILE 16 40.882 8.501 -2.747
128 HD11 ILE 16 HD1 ILE 16 37.041 8.762 -1.755
129 HD12 ILE 16 HD2 ILE 16 38.625 8.054 -2.152
130 HD13 ILE 16 HD3 ILE 16 37.879 9.242 -3.249
131 H HIS 17 HN HIS 17 41.051 13.632 0.037
132 HA HIS 17 HA HIS 17 40.482 12.325 2.532
133 HB2 HIS 17 HB2 HIS 17 42.590 11.105 2.054
134 HB3 HIS 17 HB1 HIS 17 43.439 12.657 1.866
135 HD1 HIS 17 HD1 HIS 17 44.930 12.679 3.910
136 HD2 HIS 17 HD2 HIS 17 40.910 11.847 4.829
137 HE1 HIS 17 HE1 HIS 17 44.718 12.664 6.457
138 H GLY 18 HN GLY 18 41.476 14.835 0.498
139 HA2 GLY 18 HA1 GLY 18 40.756 16.851 2.481
140 HA3 GLY 18 HA2 GLY 18 42.482 16.868 2.059
141 H MET 19 HN MET 19 39.421 16.362 0.289
142 HA MET 19 HA MET 19 39.486 18.794 -1.247
143 HB2 MET 19 HB2 MET 19 41.453 17.690 -2.146
144 HB3 MET 19 HB1 MET 19 40.449 16.312 -2.564
145 HG2 MET 19 HG2 MET 19 39.125 17.692 -4.107
146 HG3 MET 19 HG1 MET 19 40.026 19.142 -3.607
147 HE1 MET 19 HE1 MET 19 40.011 19.356 -6.168
148 HE2 MET 19 HE2 MET 19 41.557 19.067 -7.001
149 HE3 MET 19 HE3 MET 19 41.513 20.064 -5.527
150 H ILE 20 HN ILE 20 38.938 15.288 -1.869
151 HA ILE 20 HA ILE 20 36.226 15.788 -2.854
152 HB ILE 20 HB ILE 20 37.678 13.287 -1.840
153 HG12 ILE 20 HG12 ILE 20 37.565 12.573 -4.148
154 HG13 ILE 20 HG11 ILE 20 36.450 13.894 -4.566
155 HG21 ILE 20 HG21 ILE 20 35.400 12.940 -1.151
156 HG22 ILE 20 HG22 ILE 20 35.586 12.060 -2.686
157 HG23 ILE 20 HG23 ILE 20 34.767 13.641 -2.659
158 HD11 ILE 20 HD1 ILE 20 38.919 14.219 -5.232
159 HD12 ILE 20 HD2 ILE 20 39.250 14.420 -3.495
160 HD13 ILE 20 HD3 ILE 20 38.158 15.552 -4.331
161 H GLN 21 HN GLN 21 37.979 16.084 -0.111
162 HA GLN 21 HA GLN 21 35.621 16.085 1.717
163 HB2 GLN 21 HB2 GLN 21 37.330 14.304 2.251
164 HB3 GLN 21 HB1 GLN 21 38.544 15.593 2.432
165 HG2 GLN 21 HG2 GLN 21 37.265 16.621 4.235
166 HG3 GLN 21 HG1 GLN 21 35.930 15.468 3.996
167 HE21 GLN 21 HE21 GLN 21 35.984 13.603 5.260
168 HE22 GLN 21 HE22 GLN 21 37.431 13.006 6.080
169 H ASN 22 HN ASN 22 38.512 17.749 0.230
170 HA ASN 22 HA ASN 22 37.776 20.122 2.048
171 HB2 ASN 22 HB2 ASN 22 40.172 19.104 2.171
172 HB3 ASN 22 HB1 ASN 22 40.422 19.888 0.597
173 HD21 ASN 22 HD21 ASN 22 41.897 20.708 2.917
174 HD22 ASN 22 HD22 ASN 22 41.363 22.337 3.344
175 H HIS 23 HN HIS 23 36.615 19.206 -0.607
176 HA HIS 23 HA HIS 23 36.050 20.159 -2.657
177 HB2 HIS 23 HB2 HIS 23 36.254 22.650 -0.921
178 HB3 HIS 23 HB1 HIS 23 35.444 22.572 -2.503
179 HD1 HIS 23 HD1 HIS 23 33.572 20.469 -2.628
180 HD2 HIS 23 HD2 HIS 23 34.548 22.025 1.155
181 HE1 HIS 23 HE1 HIS 23 31.683 19.828 -1.031
182 H HIS 24 HN HIS 24 36.582 22.476 -3.966
183 HA HIS 24 HA HIS 24 39.308 21.995 -4.886
184 HB2 HIS 24 HB2 HIS 24 38.818 23.866 -6.454
185 HB3 HIS 24 HB1 HIS 24 37.546 22.622 -6.465
186 HD1 HIS 24 HD1 HIS 24 35.236 23.214 -5.439
187 HD2 HIS 24 HD2 HIS 24 38.014 26.371 -5.383
188 HE1 HIS 24 HE1 HIS 24 33.962 25.338 -4.813
Start of MODEL 5
1 H1 PHE 1 HT1 PHE 1 59.254 5.453 -14.106
2 H2 PHE 1 HT2 PHE 1 60.562 5.379 -13.023
3 H3 PHE 1 HT3 PHE 1 60.301 6.777 -13.952
4 HA PHE 1 HA PHE 1 59.421 7.485 -12.040
5 HB2 PHE 1 HB2 PHE 1 57.205 5.901 -13.396
6 HB3 PHE 1 HB1 PHE 1 56.930 7.088 -12.097
7 HD1 PHE 1 HD1 PHE 1 57.144 9.473 -12.499
8 HD2 PHE 1 HD2 PHE 1 58.133 6.627 -15.592
9 HE1 PHE 1 HE1 PHE 1 57.226 11.317 -14.171
10 HE2 PHE 1 HE2 PHE 1 58.213 8.474 -17.264
11 HZ PHE 1 HZ PHE 1 57.809 10.824 -16.543
12 H LEU 2 HN LEU 2 59.584 7.033 -9.953
13 HA LEU 2 HA LEU 2 59.835 4.324 -9.007
14 HB2 LEU 2 HB2 LEU 2 59.177 6.743 -7.291
15 HB3 LEU 2 HB1 LEU 2 60.086 5.282 -6.837
16 HG LEU 2 HG LEU 2 60.960 7.429 -8.823
17 HD11 LEU 2 HD11 LEU 2 62.730 7.858 -7.174
18 HD12 LEU 2 HD12 LEU 2 62.112 6.548 -6.138
19 HD13 LEU 2 HD13 LEU 2 61.135 8.012 -6.399
20 HD21 LEU 2 HD21 LEU 2 61.817 5.378 -9.696
21 HD22 LEU 2 HD22 LEU 2 62.134 4.718 -8.073
22 HD23 LEU 2 HD23 LEU 2 63.150 6.031 -8.718
23 H GLY 3 HN GLY 3 58.349 4.592 -6.533
24 HA2 GLY 3 HA1 GLY 3 55.572 4.970 -6.931
25 HA3 GLY 3 HA2 GLY 3 55.937 3.281 -7.333
26 H ALA 4 HN ALA 4 57.936 4.900 -4.999
27 HA ALA 4 HA ALA 4 57.116 2.990 -2.935
28 HB1 ALA 4 HB1 ALA 4 58.821 4.143 -1.571
29 HB2 ALA 4 HB2 ALA 4 58.999 5.373 -2.846
30 HB3 ALA 4 HB3 ALA 4 59.453 3.682 -3.168
31 H LEU 5 HN LEU 5 54.879 4.423 -3.671
32 HA LEU 5 HA LEU 5 53.184 5.751 -2.804
33 HB2 LEU 5 HB2 LEU 5 54.465 5.330 -0.084
34 HB3 LEU 5 HB1 LEU 5 52.738 5.485 -0.489
35 HG LEU 5 HG LEU 5 54.583 3.168 -1.224
36 HD11 LEU 5 HD11 LEU 5 53.111 1.875 0.256
37 HD12 LEU 5 HD12 LEU 5 52.105 3.313 0.553
38 HD13 LEU 5 HD13 LEU 5 53.784 3.263 1.145
39 HD21 LEU 5 HD21 LEU 5 51.711 3.834 -2.002
40 HD22 LEU 5 HD22 LEU 5 52.337 2.167 -2.033
41 HD23 LEU 5 HD23 LEU 5 53.072 3.412 -3.068
42 H ILE 6 HN ILE 6 55.881 6.980 -3.468
43 HA ILE 6 HA ILE 6 56.099 9.244 -1.561
44 HB ILE 6 HB ILE 6 57.985 8.147 -3.087
45 HG12 ILE 6 HG12 ILE 6 58.955 10.657 -3.389
46 HG13 ILE 6 HG11 ILE 6 57.545 11.066 -2.387
47 HG21 ILE 6 HG21 ILE 6 56.407 8.800 -5.195
48 HG22 ILE 6 HG22 ILE 6 58.178 8.734 -5.318
49 HG23 ILE 6 HG23 ILE 6 57.365 10.297 -5.109
50 HD11 ILE 6 HD1 ILE 6 59.777 9.106 -1.700
51 HD12 ILE 6 HD2 ILE 6 58.302 9.317 -0.726
52 HD13 ILE 6 HD3 ILE 6 59.442 10.670 -0.921
53 H LYS 7 HN LYS 7 56.545 11.245 -3.795
54 HA LYS 7 HA LYS 7 55.179 13.031 -4.419
55 HB2 LYS 7 HB2 LYS 7 53.132 10.836 -5.055
56 HB3 LYS 7 HB1 LYS 7 53.033 12.530 -5.592
57 HG2 LYS 7 HG2 LYS 7 55.107 12.276 -6.885
58 HG3 LYS 7 HG1 LYS 7 55.291 10.604 -6.300
59 HD2 LYS 7 HD2 LYS 7 53.038 10.081 -7.336
60 HD3 LYS 7 HD1 LYS 7 53.063 11.707 -8.064
61 HE2 LYS 7 HE2 LYS 7 55.231 9.599 -8.465
62 HE3 LYS 7 HE1 LYS 7 53.918 9.932 -9.619
63 HZ1 LYS 7 HZ1 LYS 7 56.031 11.824 -8.716
64 HZ2 LYS 7 HZ2 LYS 7 54.702 12.266 -9.679
65 HZ3 LYS 7 HZ3 LYS 7 55.850 11.159 -10.266
66 H GLY 8 HN GLY 8 55.506 11.670 -2.103
67 HA2 GLY 8 HA1 GLY 8 54.826 11.155 -0.058
68 HA3 GLY 8 HA2 GLY 8 54.348 12.897 -0.018
69 H ALA 9 HN ALA 9 53.298 9.601 -0.696
70 HA ALA 9 HA ALA 9 51.267 8.552 -0.474
71 HB1 ALA 9 HB1 ALA 9 51.315 9.859 1.742
72 HB2 ALA 9 HB2 ALA 9 49.726 9.310 1.158
73 HB3 ALA 9 HB3 ALA 9 50.211 11.010 0.954
74 H ILE 10 HN ILE 10 51.354 9.013 -2.854
75 HA ILE 10 HA ILE 10 50.218 9.532 -4.786
76 HB ILE 10 HB ILE 10 48.029 9.758 -2.717
77 HG12 ILE 10 HG12 ILE 10 46.926 8.156 -4.251
78 HG13 ILE 10 HG11 ILE 10 48.252 8.364 -5.418
79 HG21 ILE 10 HG21 ILE 10 47.829 11.056 -5.454
80 HG22 ILE 10 HG22 ILE 10 47.359 11.722 -3.868
81 HG23 ILE 10 HG23 ILE 10 46.396 10.425 -4.609
82 HD11 ILE 10 HD1 ILE 10 48.402 6.323 -3.849
83 HD12 ILE 10 HD2 ILE 10 48.751 7.486 -2.548
84 HD13 ILE 10 HD3 ILE 10 49.845 7.358 -3.946
85 H HIS 11 HN HIS 11 49.005 12.095 -2.564
86 HA HIS 11 HA HIS 11 50.705 14.095 -3.922
87 HB2 HIS 11 HB2 HIS 11 48.716 13.916 -5.420
88 HB3 HIS 11 HB1 HIS 11 47.664 14.287 -4.032
89 HD1 HIS 11 HD1 HIS 11 50.838 15.839 -5.582
90 HD2 HIS 11 HD2 HIS 11 47.097 16.977 -4.039
91 HE1 HIS 11 HE1 HIS 11 50.706 18.388 -5.707
92 H GLY 12 HN GLY 12 49.439 12.728 -1.293
93 HA2 GLY 12 HA1 GLY 12 49.981 13.639 0.894
94 HA3 GLY 12 HA2 GLY 12 49.630 15.274 0.301
95 H GLY 13 HN GLY 13 47.799 12.197 0.069
96 HA2 GLY 13 HA1 GLY 13 45.548 11.813 0.511
97 HA3 GLY 13 HA2 GLY 13 45.947 12.533 2.083
98 H ARG 14 HN ARG 14 45.040 13.392 -1.272
99 HA ARG 14 HA ARG 14 42.963 15.184 -0.293
100 HB2 ARG 14 HB2 ARG 14 44.881 16.661 0.082
101 HB3 ARG 14 HB1 ARG 14 45.461 16.374 -1.572
102 HG2 ARG 14 HG2 ARG 14 44.252 18.554 -1.333
103 HG3 ARG 14 HG1 ARG 14 43.475 17.473 -2.508
104 HD2 ARG 14 HD2 ARG 14 41.666 17.004 -1.065
105 HD3 ARG 14 HD1 ARG 14 42.578 17.461 0.394
106 HE ARG 14 HE ARG 14 41.082 19.276 -1.332
107 HH11 ARG 14 HH11 ARG 14 42.070 19.167 1.713
108 HH12 ARG 14 HH12 ARG 14 42.857 20.709 1.779
109 HH21 ARG 14 HH21 ARG 14 42.831 21.168 -1.658
110 HH22 ARG 14 HH22 ARG 14 43.287 21.842 -0.128
111 H PHE 15 HN PHE 15 44.788 13.554 -2.729
112 HA PHE 15 HA PHE 15 43.690 14.539 -5.120
113 HB2 PHE 15 HB2 PHE 15 45.460 12.765 -4.898
114 HB3 PHE 15 HB1 PHE 15 44.178 11.607 -4.471
115 HD1 PHE 15 HD1 PHE 15 45.146 14.107 -7.116
116 HD2 PHE 15 HD2 PHE 15 43.000 10.476 -6.196
117 HE1 PHE 15 HE1 PHE 15 44.660 13.779 -9.537
118 HE2 PHE 15 HE2 PHE 15 42.515 10.149 -8.618
119 HZ PHE 15 HZ PHE 15 43.418 11.756 -10.294
120 H ILE 16 HN ILE 16 42.072 13.119 -2.481
121 HA ILE 16 HA ILE 16 39.552 13.008 -4.078
122 HB ILE 16 HB ILE 16 40.269 10.741 -2.166
123 HG12 ILE 16 HG12 ILE 16 40.585 10.884 -5.200
124 HG13 ILE 16 HG11 ILE 16 41.888 10.679 -4.008
125 HG21 ILE 16 HG21 ILE 16 37.842 11.346 -2.783
126 HG22 ILE 16 HG22 ILE 16 38.341 9.668 -3.101
127 HG23 ILE 16 HG23 ILE 16 38.245 10.838 -4.439
128 HD11 ILE 16 HD1 ILE 16 39.705 8.715 -4.776
129 HD12 ILE 16 HD2 ILE 16 40.590 8.559 -3.238
130 HD13 ILE 16 HD3 ILE 16 41.467 8.476 -4.784
131 H HIS 17 HN HIS 17 40.443 11.883 -0.772
132 HA HIS 17 HA HIS 17 39.508 14.277 0.529
133 HB2 HIS 17 HB2 HIS 17 37.305 13.426 -0.326
134 HB3 HIS 17 HB1 HIS 17 37.566 11.932 0.605
135 HD1 HIS 17 HD1 HIS 17 38.678 15.274 1.975
136 HD2 HIS 17 HD2 HIS 17 35.453 12.611 2.420
137 HE1 HIS 17 HE1 HIS 17 37.374 15.997 4.050
138 H GLY 18 HN GLY 18 41.742 13.397 1.148
139 HA2 GLY 18 HA1 GLY 18 42.886 12.762 3.118
140 HA3 GLY 18 HA2 GLY 18 41.404 11.974 3.723
141 H MET 19 HN MET 19 42.662 11.380 0.512
142 HA MET 19 HA MET 19 43.349 9.357 -0.276
143 HB2 MET 19 HB2 MET 19 45.067 9.816 1.747
144 HB3 MET 19 HB1 MET 19 44.373 8.259 2.242
145 HG2 MET 19 HG2 MET 19 45.609 8.793 -0.504
146 HG3 MET 19 HG1 MET 19 46.492 8.085 0.865
147 HE1 MET 19 HE1 MET 19 46.685 6.464 -1.559
148 HE2 MET 19 HE2 MET 19 45.256 7.237 -2.283
149 HE3 MET 19 HE3 MET 19 45.313 5.468 -2.097
150 H ILE 20 HN ILE 20 41.008 9.823 1.748
151 HA ILE 20 HA ILE 20 39.228 8.574 2.450
152 HB ILE 20 HB ILE 20 40.073 6.431 0.458
153 HG12 ILE 20 HG12 ILE 20 40.135 8.360 -0.916
154 HG13 ILE 20 HG11 ILE 20 38.469 7.788 -1.120
155 HG21 ILE 20 HG21 ILE 20 37.564 6.151 0.301
156 HG22 ILE 20 HG22 ILE 20 37.399 7.326 1.627
157 HG23 ILE 20 HG23 ILE 20 38.239 5.785 1.903
158 HD11 ILE 20 HD1 ILE 20 37.832 9.442 0.771
159 HD12 ILE 20 HD2 ILE 20 38.303 10.156 -0.781
160 HD13 ILE 20 HD3 ILE 20 39.457 10.143 0.572
161 H GLN 21 HN GLN 21 42.451 7.849 2.545
162 HA GLN 21 HA GLN 21 41.994 5.981 4.883
163 HB2 GLN 21 HB2 GLN 21 42.560 4.737 2.637
164 HB3 GLN 21 HB1 GLN 21 44.197 5.386 2.876
165 HG2 GLN 21 HG2 GLN 21 44.185 3.217 3.910
166 HG3 GLN 21 HG1 GLN 21 44.098 4.390 5.245
167 HE21 GLN 21 HE21 GLN 21 42.554 3.871 6.786
168 HE22 GLN 21 HE22 GLN 21 41.058 2.995 6.447
169 H ASN 22 HN ASN 22 42.638 8.868 4.634
170 HA ASN 22 HA ASN 22 45.071 8.770 6.312
171 HB2 ASN 22 HB2 ASN 22 45.861 9.008 3.871
172 HB3 ASN 22 HB1 ASN 22 45.098 10.617 3.901
173 HD21 ASN 22 HD21 ASN 22 47.994 8.926 4.580
174 HD22 ASN 22 HD22 ASN 22 48.751 10.158 5.597
175 H HIS 23 HN HIS 23 43.046 11.155 4.391
176 HA HIS 23 HA HIS 23 42.288 13.283 5.267
177 HB2 HIS 23 HB2 HIS 23 40.573 11.535 5.917
178 HB3 HIS 23 HB1 HIS 23 41.329 11.498 7.527
179 HD1 HIS 23 HD1 HIS 23 41.847 14.375 8.189
180 HD2 HIS 23 HD2 HIS 23 38.369 13.172 6.152
181 HE1 HIS 23 HE1 HIS 23 40.081 16.184 8.562
182 H HIS 24 HN HIS 24 44.215 14.370 5.688
183 HA HIS 24 HA HIS 24 44.510 15.114 8.494
184 HB2 HIS 24 HB2 HIS 24 45.817 13.035 8.534
185 HB3 HIS 24 HB1 HIS 24 46.771 13.588 7.136
186 HD1 HIS 24 HD1 HIS 24 48.915 14.710 7.711
187 HD2 HIS 24 HD2 HIS 24 46.054 15.148 10.762
188 HE1 HIS 24 HE1 HIS 24 50.041 15.956 9.636
Start of MODEL 6
1 H1 PHE 1 HT1 PHE 1 56.410 -2.444 1.434
2 H2 PHE 1 HT2 PHE 1 57.525 -3.719 1.295
3 H3 PHE 1 HT3 PHE 1 56.240 -3.583 0.192
4 HA PHE 1 HA PHE 1 58.747 -2.679 -0.171
5 HB2 PHE 1 HB2 PHE 1 57.080 -3.172 -1.916
6 HB3 PHE 1 HB1 PHE 1 56.148 -1.731 -1.445
7 HD1 PHE 1 HD1 PHE 1 59.517 -2.850 -2.675
8 HD2 PHE 1 HD2 PHE 1 56.717 0.416 -2.318
9 HE1 PHE 1 HE1 PHE 1 60.961 -1.451 -4.144
10 HE2 PHE 1 HE2 PHE 1 58.162 1.815 -3.790
11 HZ PHE 1 HZ PHE 1 60.316 0.902 -4.648
12 H LEU 2 HN LEU 2 55.942 -0.440 0.020
13 HA LEU 2 HA LEU 2 57.287 1.309 1.909
14 HB2 LEU 2 HB2 LEU 2 58.536 1.713 -0.296
15 HB3 LEU 2 HB1 LEU 2 57.014 2.382 -0.921
16 HG LEU 2 HG LEU 2 57.067 3.879 1.268
17 HD11 LEU 2 HD11 LEU 2 58.945 2.848 2.423
18 HD12 LEU 2 HD12 LEU 2 59.461 4.458 1.882
19 HD13 LEU 2 HD13 LEU 2 59.985 3.013 0.990
20 HD21 LEU 2 HD21 LEU 2 57.286 4.753 -1.033
21 HD22 LEU 2 HD22 LEU 2 59.013 4.323 -1.043
22 HD23 LEU 2 HD23 LEU 2 58.415 5.585 0.062
23 H GLY 3 HN GLY 3 54.868 0.941 -0.678
24 HA2 GLY 3 HA1 GLY 3 52.578 1.341 -0.572
25 HA3 GLY 3 HA2 GLY 3 52.752 1.804 1.132
26 H ALA 4 HN ALA 4 54.172 3.951 1.323
27 HA ALA 4 HA ALA 4 52.553 6.063 0.445
28 HB1 ALA 4 HB1 ALA 4 55.549 6.237 0.889
29 HB2 ALA 4 HB2 ALA 4 54.352 6.146 2.203
30 HB3 ALA 4 HB3 ALA 4 54.347 7.533 1.088
31 H LEU 5 HN LEU 5 55.453 4.672 -1.110
32 HA LEU 5 HA LEU 5 56.317 4.994 -3.235
33 HB2 LEU 5 HB2 LEU 5 53.918 4.040 -3.630
34 HB3 LEU 5 HB1 LEU 5 53.502 5.692 -4.133
35 HG LEU 5 HG LEU 5 55.677 5.458 -5.671
36 HD11 LEU 5 HD11 LEU 5 54.865 2.553 -5.189
37 HD12 LEU 5 HD12 LEU 5 56.442 3.288 -4.820
38 HD13 LEU 5 HD13 LEU 5 55.922 3.106 -6.508
39 HD21 LEU 5 HD21 LEU 5 54.253 4.534 -7.490
40 HD22 LEU 5 HD22 LEU 5 53.376 5.743 -6.523
41 HD23 LEU 5 HD23 LEU 5 53.059 4.009 -6.278
42 H ILE 6 HN ILE 6 56.196 7.295 -1.432
43 HA ILE 6 HA ILE 6 56.401 9.635 -1.461
44 HB ILE 6 HB ILE 6 57.363 9.456 -4.358
45 HG12 ILE 6 HG12 ILE 6 58.794 8.278 -1.929
46 HG13 ILE 6 HG11 ILE 6 58.227 7.386 -3.360
47 HG21 ILE 6 HG21 ILE 6 58.732 10.724 -1.951
48 HG22 ILE 6 HG22 ILE 6 57.397 11.550 -2.787
49 HG23 ILE 6 HG23 ILE 6 58.885 11.147 -3.674
50 HD11 ILE 6 HD1 ILE 6 59.734 8.956 -4.744
51 HD12 ILE 6 HD2 ILE 6 60.559 7.749 -3.730
52 HD13 ILE 6 HD3 ILE 6 60.461 9.443 -3.194
53 H LYS 7 HN LYS 7 56.353 11.114 -4.191
54 HA LYS 7 HA LYS 7 54.694 12.556 -4.983
55 HB2 LYS 7 HB2 LYS 7 52.682 10.282 -4.670
56 HB3 LYS 7 HB1 LYS 7 52.632 11.617 -5.840
57 HG2 LYS 7 HG2 LYS 7 54.633 9.310 -5.802
58 HG3 LYS 7 HG1 LYS 7 53.299 9.519 -6.955
59 HD2 LYS 7 HD2 LYS 7 55.749 11.317 -6.644
60 HD3 LYS 7 HD1 LYS 7 55.378 10.242 -8.006
61 HE2 LYS 7 HE2 LYS 7 53.154 11.653 -8.188
62 HE3 LYS 7 HE1 LYS 7 54.064 12.862 -7.248
63 HZ1 LYS 7 HZ1 LYS 7 54.697 13.449 -9.327
64 HZ2 LYS 7 HZ2 LYS 7 54.509 11.888 -9.971
65 HZ3 LYS 7 HZ3 LYS 7 55.884 12.271 -9.049
66 H GLY 8 HN GLY 8 55.505 11.849 -2.500
67 HA2 GLY 8 HA1 GLY 8 55.163 11.792 -0.301
68 HA3 GLY 8 HA2 GLY 8 54.548 13.465 -0.598
69 H ALA 9 HN ALA 9 53.679 10.053 -0.381
70 HA ALA 9 HA ALA 9 51.791 8.990 0.368
71 HB1 ALA 9 HB1 ALA 9 52.053 10.742 2.241
72 HB2 ALA 9 HB2 ALA 9 50.447 10.006 2.034
73 HB3 ALA 9 HB3 ALA 9 50.761 11.645 1.416
74 H ILE 10 HN ILE 10 51.496 8.902 -2.003
75 HA ILE 10 HA ILE 10 50.070 8.918 -3.810
76 HB ILE 10 HB ILE 10 48.159 9.729 -1.602
77 HG12 ILE 10 HG12 ILE 10 46.930 7.759 -2.448
78 HG13 ILE 10 HG11 ILE 10 48.093 7.606 -3.787
79 HG21 ILE 10 HG21 ILE 10 47.320 11.276 -3.190
80 HG22 ILE 10 HG22 ILE 10 46.303 9.831 -3.400
81 HG23 ILE 10 HG23 ILE 10 47.615 10.169 -4.554
82 HD11 ILE 10 HD1 ILE 10 49.903 7.119 -2.275
83 HD12 ILE 10 HD2 ILE 10 48.536 6.099 -1.770
84 HD13 ILE 10 HD3 ILE 10 48.929 7.577 -0.859
85 H HIS 11 HN HIS 11 49.148 11.951 -2.111
86 HA HIS 11 HA HIS 11 50.608 13.556 -4.100
87 HB2 HIS 11 HB2 HIS 11 48.416 12.982 -5.233
88 HB3 HIS 11 HB1 HIS 11 47.579 13.820 -3.906
89 HD1 HIS 11 HD1 HIS 11 50.054 14.450 -6.746
90 HD2 HIS 11 HD2 HIS 11 47.634 16.621 -4.076
91 HE1 HIS 11 HE1 HIS 11 50.104 16.895 -7.488
92 H GLY 12 HN GLY 12 49.594 12.849 -1.109
93 HA2 GLY 12 HA1 GLY 12 50.592 14.557 0.543
94 HA3 GLY 12 HA2 GLY 12 49.466 15.720 -0.190
95 H GLY 13 HN GLY 13 48.145 12.608 -0.178
96 HA2 GLY 13 HA1 GLY 13 46.565 11.575 1.170
97 HA3 GLY 13 HA2 GLY 13 47.180 12.516 2.544
98 H ARG 14 HN ARG 14 45.420 13.093 -0.525
99 HA ARG 14 HA ARG 14 43.136 14.199 0.930
100 HB2 ARG 14 HB2 ARG 14 44.623 16.160 0.997
101 HB3 ARG 14 HB1 ARG 14 44.915 16.027 -0.749
102 HG2 ARG 14 HG2 ARG 14 43.239 17.792 -0.203
103 HG3 ARG 14 HG1 ARG 14 42.550 16.511 -1.222
104 HD2 ARG 14 HD2 ARG 14 41.187 17.346 0.866
105 HD3 ARG 14 HD1 ARG 14 41.290 15.598 0.557
106 HE ARG 14 HE ARG 14 43.422 16.564 2.307
107 HH11 ARG 14 HH11 ARG 14 41.109 17.523 3.799
108 HH12 ARG 14 HH12 ARG 14 40.587 16.130 4.685
109 HH21 ARG 14 HH21 ARG 14 42.342 13.887 2.705
110 HH22 ARG 14 HH22 ARG 14 41.285 14.070 4.065
111 H PHE 15 HN PHE 15 44.920 13.635 -2.075
112 HA PHE 15 HA PHE 15 42.478 13.745 -3.727
113 HB2 PHE 15 HB2 PHE 15 44.822 14.312 -4.550
114 HB3 PHE 15 HB1 PHE 15 45.208 12.579 -4.421
115 HD1 PHE 15 HD1 PHE 15 44.881 11.254 -6.351
116 HD2 PHE 15 HD2 PHE 15 42.511 14.828 -5.827
117 HE1 PHE 15 HE1 PHE 15 43.823 10.883 -8.575
118 HE2 PHE 15 HE2 PHE 15 41.453 14.450 -8.048
119 HZ PHE 15 HZ PHE 15 42.161 12.518 -9.451
120 H ILE 16 HN ILE 16 40.994 12.222 -3.236
121 HA ILE 16 HA ILE 16 40.155 10.163 -2.523
122 HB ILE 16 HB ILE 16 40.700 8.268 -4.112
123 HG12 ILE 16 HG12 ILE 16 42.381 10.400 -5.517
124 HG13 ILE 16 HG11 ILE 16 43.065 9.039 -4.603
125 HG21 ILE 16 HG21 ILE 16 40.061 10.902 -5.506
126 HG22 ILE 16 HG22 ILE 16 38.900 10.023 -4.483
127 HG23 ILE 16 HG23 ILE 16 39.519 9.274 -5.970
128 HD11 ILE 16 HD1 ILE 16 41.496 8.987 -7.197
129 HD12 ILE 16 HD2 ILE 16 41.586 7.540 -6.164
130 HD13 ILE 16 HD3 ILE 16 43.072 8.252 -6.830
131 H HIS 17 HN HIS 17 41.778 10.689 -0.634
132 HA HIS 17 HA HIS 17 43.131 8.101 -0.054
133 HB2 HIS 17 HB2 HIS 17 44.899 9.571 -1.014
134 HB3 HIS 17 HB1 HIS 17 44.529 10.794 0.224
135 HD1 HIS 17 HD1 HIS 17 46.552 7.793 -0.396
136 HD2 HIS 17 HD2 HIS 17 44.915 9.688 2.984
137 HE1 HIS 17 HE1 HIS 17 47.785 6.893 1.655
138 H GLY 18 HN GLY 18 41.742 11.205 0.916
139 HA2 GLY 18 HA1 GLY 18 42.115 11.109 3.704
140 HA3 GLY 18 HA2 GLY 18 40.667 11.765 2.891
141 H MET 19 HN MET 19 39.590 9.762 1.684
142 HA MET 19 HA MET 19 39.258 7.307 2.915
143 HB2 MET 19 HB2 MET 19 38.585 8.462 4.987
144 HB3 MET 19 HB1 MET 19 37.352 9.334 4.062
145 HG2 MET 19 HG2 MET 19 35.930 7.493 3.987
146 HG3 MET 19 HG1 MET 19 37.271 6.325 3.892
147 HE1 MET 19 HE1 MET 19 34.798 5.673 5.519
148 HE2 MET 19 HE2 MET 19 35.493 5.065 7.041
149 HE3 MET 19 HE3 MET 19 36.263 4.662 5.487
150 H ILE 20 HN ILE 20 39.103 9.152 0.544
151 HA ILE 20 HA ILE 20 37.847 9.188 -1.401
152 HB ILE 20 HB ILE 20 36.132 6.879 -0.362
153 HG12 ILE 20 HG12 ILE 20 38.369 6.071 -0.003
154 HG13 ILE 20 HG11 ILE 20 37.817 5.353 -1.527
155 HG21 ILE 20 HG21 ILE 20 36.869 7.968 -3.102
156 HG22 ILE 20 HG22 ILE 20 35.264 7.749 -2.381
157 HG23 ILE 20 HG23 ILE 20 36.208 6.332 -2.888
158 HD11 ILE 20 HD1 ILE 20 40.087 6.128 -1.854
159 HD12 ILE 20 HD2 ILE 20 39.705 7.725 -1.177
160 HD13 ILE 20 HD3 ILE 20 39.025 7.236 -2.745
161 H GLN 21 HN GLN 21 36.930 9.400 1.803
162 HA GLN 21 HA GLN 21 34.303 10.792 1.085
163 HB2 GLN 21 HB2 GLN 21 34.285 8.688 2.616
164 HB3 GLN 21 HB1 GLN 21 35.043 9.731 3.838
165 HG2 GLN 21 HG2 GLN 21 32.421 10.390 2.417
166 HG3 GLN 21 HG1 GLN 21 32.530 9.621 4.017
167 HE21 GLN 21 HE21 GLN 21 31.457 12.369 3.222
168 HE22 GLN 21 HE22 GLN 21 32.379 13.495 4.226
169 H ASN 22 HN ASN 22 37.401 10.942 2.879
170 HA ASN 22 HA ASN 22 36.737 13.743 3.735
171 HB2 ASN 22 HB2 ASN 22 38.921 11.754 4.472
172 HB3 ASN 22 HB1 ASN 22 39.013 13.473 4.923
173 HD21 ASN 22 HD21 ASN 22 38.305 13.784 7.027
174 HD22 ASN 22 HD22 ASN 22 36.963 12.909 7.770
175 H HIS 23 HN HIS 23 38.182 11.914 1.295
176 HA HIS 23 HA HIS 23 40.454 13.377 0.537
177 HB2 HIS 23 HB2 HIS 23 40.057 12.506 -1.703
178 HB3 HIS 23 HB1 HIS 23 39.635 11.263 -0.506
179 HD1 HIS 23 HD1 HIS 23 38.431 11.469 -3.465
180 HD2 HIS 23 HD2 HIS 23 36.569 12.931 0.006
181 HE1 HIS 23 HE1 HIS 23 35.917 11.521 -3.911
182 H HIS 24 HN HIS 24 37.239 14.477 0.776
183 HA HIS 24 HA HIS 24 37.413 16.485 -1.369
184 HB2 HIS 24 HB2 HIS 24 35.453 15.996 0.906
185 HB3 HIS 24 HB1 HIS 24 35.297 17.351 -0.238
186 HD1 HIS 24 HD1 HIS 24 35.779 16.281 -2.928
187 HD2 HIS 24 HD2 HIS 24 33.788 14.001 -0.010
188 HE1 HIS 24 HE1 HIS 24 34.448 14.474 -4.150
Start of MODEL 7
1 H1 PHE 1 HT1 PHE 1 61.669 5.902 -8.732
2 H2 PHE 1 HT2 PHE 1 60.122 6.408 -9.220
3 H3 PHE 1 HT3 PHE 1 61.355 6.198 -10.370
4 HA PHE 1 HA PHE 1 59.544 4.417 -10.065
5 HB2 PHE 1 HB2 PHE 1 61.166 2.722 -10.792
6 HB3 PHE 1 HB1 PHE 1 61.505 4.281 -11.582
7 HD1 PHE 1 HD1 PHE 1 63.425 5.673 -10.867
8 HD2 PHE 1 HD2 PHE 1 62.680 1.797 -9.121
9 HE1 PHE 1 HE1 PHE 1 65.729 5.659 -9.918
10 HE2 PHE 1 HE2 PHE 1 64.985 1.782 -8.173
11 HZ PHE 1 HZ PHE 1 66.507 3.716 -8.565
12 H LEU 2 HN LEU 2 60.870 5.476 -7.345
13 HA LEU 2 HA LEU 2 61.465 3.032 -5.909
14 HB2 LEU 2 HB2 LEU 2 60.482 5.612 -4.647
15 HB3 LEU 2 HB1 LEU 2 61.599 4.401 -3.977
16 HG LEU 2 HG LEU 2 62.136 6.287 -6.313
17 HD11 LEU 2 HD11 LEU 2 62.237 7.204 -3.951
18 HD12 LEU 2 HD12 LEU 2 63.779 7.284 -4.836
19 HD13 LEU 2 HD13 LEU 2 63.520 6.018 -3.611
20 HD21 LEU 2 HD21 LEU 2 64.496 5.254 -6.095
21 HD22 LEU 2 HD22 LEU 2 63.253 4.239 -6.862
22 HD23 LEU 2 HD23 LEU 2 63.718 3.948 -5.168
23 H GLY 3 HN GLY 3 60.131 1.517 -5.204
24 HA2 GLY 3 HA1 GLY 3 57.340 1.567 -5.622
25 HA3 GLY 3 HA2 GLY 3 58.187 0.484 -4.500
26 H ALA 4 HN ALA 4 59.182 3.196 -3.246
27 HA ALA 4 HA ALA 4 57.346 3.159 -1.052
28 HB1 ALA 4 HB1 ALA 4 59.590 3.954 -0.728
29 HB2 ALA 4 HB2 ALA 4 58.490 5.321 -0.428
30 HB3 ALA 4 HB3 ALA 4 59.382 5.214 -1.965
31 H LEU 5 HN LEU 5 55.640 4.442 -0.469
32 HA LEU 5 HA LEU 5 54.159 5.666 -2.663
33 HB2 LEU 5 HB2 LEU 5 53.543 5.937 0.299
34 HB3 LEU 5 HB1 LEU 5 52.413 5.977 -1.076
35 HG LEU 5 HG LEU 5 54.029 3.558 -0.148
36 HD11 LEU 5 HD11 LEU 5 52.157 4.128 1.352
37 HD12 LEU 5 HD12 LEU 5 51.786 2.651 0.431
38 HD13 LEU 5 HD13 LEU 5 51.049 4.202 -0.038
39 HD21 LEU 5 HD21 LEU 5 53.780 3.350 -2.519
40 HD22 LEU 5 HD22 LEU 5 52.135 4.029 -2.489
41 HD23 LEU 5 HD23 LEU 5 52.440 2.400 -1.840
42 H ILE 6 HN ILE 6 56.112 7.138 -3.119
43 HA ILE 6 HA ILE 6 56.248 9.514 -1.292
44 HB ILE 6 HB ILE 6 57.986 10.323 -2.858
45 HG12 ILE 6 HG12 ILE 6 57.226 7.873 -4.522
46 HG13 ILE 6 HG11 ILE 6 57.000 9.573 -4.990
47 HG21 ILE 6 HG21 ILE 6 58.449 7.342 -2.460
48 HG22 ILE 6 HG22 ILE 6 58.464 8.502 -1.109
49 HG23 ILE 6 HG23 ILE 6 59.649 8.657 -2.427
50 HD11 ILE 6 HD1 ILE 6 59.576 9.800 -4.652
51 HD12 ILE 6 HD2 ILE 6 58.998 8.942 -6.100
52 HD13 ILE 6 HD3 ILE 6 59.591 8.020 -4.699
53 H LYS 7 HN LYS 7 56.761 11.375 -3.568
54 HA LYS 7 HA LYS 7 55.394 13.072 -4.401
55 HB2 LYS 7 HB2 LYS 7 53.721 10.633 -5.175
56 HB3 LYS 7 HB1 LYS 7 53.174 12.292 -5.518
57 HG2 LYS 7 HG2 LYS 7 55.031 12.727 -6.957
58 HG3 LYS 7 HG1 LYS 7 55.915 11.294 -6.382
59 HD2 LYS 7 HD2 LYS 7 54.947 10.858 -8.604
60 HD3 LYS 7 HD1 LYS 7 54.170 9.828 -7.381
61 HE2 LYS 7 HE2 LYS 7 52.195 11.160 -7.351
62 HE3 LYS 7 HE1 LYS 7 52.993 12.514 -8.188
63 HZ1 LYS 7 HZ1 LYS 7 53.342 10.576 -9.967
64 HZ2 LYS 7 HZ2 LYS 7 51.977 11.587 -9.957
65 HZ3 LYS 7 HZ3 LYS 7 51.894 10.038 -9.267
66 H GLY 8 HN GLY 8 55.592 11.850 -1.996
67 HA2 GLY 8 HA1 GLY 8 54.792 11.433 0.023
68 HA3 GLY 8 HA2 GLY 8 54.234 13.148 -0.079
69 H ALA 9 HN ALA 9 53.385 9.766 -0.636
70 HA ALA 9 HA ALA 9 51.376 8.649 -0.568
71 HB1 ALA 9 HB1 ALA 9 51.293 9.864 1.670
72 HB2 ALA 9 HB2 ALA 9 49.723 9.370 0.993
73 HB3 ALA 9 HB3 ALA 9 50.248 11.067 0.877
74 H ILE 10 HN ILE 10 51.578 9.241 -2.945
75 HA ILE 10 HA ILE 10 50.505 9.757 -4.901
76 HB ILE 10 HB ILE 10 48.228 9.674 -2.948
77 HG12 ILE 10 HG12 ILE 10 49.159 7.797 -4.482
78 HG13 ILE 10 HG11 ILE 10 47.398 7.980 -4.362
79 HG21 ILE 10 HG21 ILE 10 46.579 10.419 -4.774
80 HG22 ILE 10 HG22 ILE 10 47.963 11.229 -5.544
81 HG23 ILE 10 HG23 ILE 10 47.451 11.700 -3.905
82 HD11 ILE 10 HD1 ILE 10 48.433 7.677 -6.734
83 HD12 ILE 10 HD2 ILE 10 48.962 9.365 -6.576
84 HD13 ILE 10 HD3 ILE 10 47.231 8.967 -6.517
85 H HIS 11 HN HIS 11 49.087 12.136 -2.589
86 HA HIS 11 HA HIS 11 50.686 14.293 -3.773
87 HB2 HIS 11 HB2 HIS 11 48.751 13.959 -5.393
88 HB3 HIS 11 HB1 HIS 11 47.658 14.409 -4.062
89 HD1 HIS 11 HD1 HIS 11 50.889 15.845 -5.608
90 HD2 HIS 11 HD2 HIS 11 47.206 17.124 -4.031
91 HE1 HIS 11 HE1 HIS 11 50.796 18.386 -5.858
92 H GLY 12 HN GLY 12 49.425 12.755 -1.269
93 HA2 GLY 12 HA1 GLY 12 49.781 13.724 0.954
94 HA3 GLY 12 HA2 GLY 12 49.134 15.269 0.369
95 H GLY 13 HN GLY 13 47.762 12.092 -0.385
96 HA2 GLY 13 HA1 GLY 13 45.606 11.310 -0.028
97 HA3 GLY 13 HA2 GLY 13 45.902 11.780 1.658
98 H ARG 14 HN ARG 14 44.831 13.013 -1.507
99 HA ARG 14 HA ARG 14 42.523 14.282 -0.361
100 HB2 ARG 14 HB2 ARG 14 44.129 15.917 0.504
101 HB3 ARG 14 HB1 ARG 14 44.858 16.094 -1.105
102 HG2 ARG 14 HG2 ARG 14 43.286 17.962 -0.541
103 HG3 ARG 14 HG1 ARG 14 42.788 17.066 -1.991
104 HD2 ARG 14 HD2 ARG 14 40.975 17.634 -0.190
105 HD3 ARG 14 HD1 ARG 14 41.005 15.988 -0.862
106 HE ARG 14 HE ARG 14 42.656 16.158 1.509
107 HH11 ARG 14 HH11 ARG 14 41.150 16.754 3.432
108 HH12 ARG 14 HH12 ARG 14 39.761 15.722 3.527
109 HH21 ARG 14 HH21 ARG 14 40.111 14.508 0.298
110 HH22 ARG 14 HH22 ARG 14 39.174 14.451 1.754
111 H PHE 15 HN PHE 15 44.787 13.640 -2.905
112 HA PHE 15 HA PHE 15 43.621 14.936 -5.111
113 HB2 PHE 15 HB2 PHE 15 45.725 13.589 -5.155
114 HB3 PHE 15 HB1 PHE 15 44.744 12.107 -5.066
115 HD1 PHE 15 HD1 PHE 15 43.392 11.368 -6.963
116 HD2 PHE 15 HD2 PHE 15 45.674 15.026 -7.160
117 HE1 PHE 15 HE1 PHE 15 43.053 11.447 -9.431
118 HE2 PHE 15 HE2 PHE 15 45.334 15.105 -9.627
119 HZ PHE 15 HZ PHE 15 44.050 13.299 -10.766
120 H ILE 16 HN ILE 16 42.997 11.520 -4.143
121 HA ILE 16 HA ILE 16 40.639 11.412 -5.823
122 HB ILE 16 HB ILE 16 41.841 9.356 -5.413
123 HG12 ILE 16 HG12 ILE 16 40.030 7.878 -4.675
124 HG13 ILE 16 HG11 ILE 16 39.193 9.226 -3.882
125 HG21 ILE 16 HG21 ILE 16 42.534 10.202 -2.986
126 HG22 ILE 16 HG22 ILE 16 42.407 8.465 -3.333
127 HG23 ILE 16 HG23 ILE 16 41.088 9.297 -2.478
128 HD11 ILE 16 HD1 ILE 16 39.864 9.358 -6.843
129 HD12 ILE 16 HD2 ILE 16 38.603 10.234 -5.941
130 HD13 ILE 16 HD3 ILE 16 38.412 8.498 -6.277
131 H HIS 17 HN HIS 17 40.863 11.035 -2.199
132 HA HIS 17 HA HIS 17 38.811 13.051 -1.814
133 HB2 HIS 17 HB2 HIS 17 37.380 11.304 -2.823
134 HB3 HIS 17 HB1 HIS 17 37.884 10.165 -1.560
135 HD1 HIS 17 HD1 HIS 17 36.775 10.343 0.734
136 HD2 HIS 17 HD2 HIS 17 35.718 13.465 -1.874
137 HE1 HIS 17 HE1 HIS 17 34.911 11.677 1.860
138 H GLY 18 HN GLY 18 41.349 12.469 -0.706
139 HA2 GLY 18 HA1 GLY 18 41.761 13.108 1.674
140 HA3 GLY 18 HA2 GLY 18 40.621 11.825 2.145
141 H MET 19 HN MET 19 41.284 9.958 0.295
142 HA MET 19 HA MET 19 43.615 9.083 -0.366
143 HB2 MET 19 HB2 MET 19 45.027 9.519 1.434
144 HB3 MET 19 HB1 MET 19 43.783 9.148 2.626
145 HG2 MET 19 HG2 MET 19 44.114 6.808 2.424
146 HG3 MET 19 HG1 MET 19 44.907 6.974 0.840
147 HE1 MET 19 HE1 MET 19 47.108 5.803 1.100
148 HE2 MET 19 HE2 MET 19 46.241 5.110 2.492
149 HE3 MET 19 HE3 MET 19 47.929 5.648 2.672
150 H ILE 20 HN ILE 20 42.205 8.073 -1.617
151 HA ILE 20 HA ILE 20 40.922 6.265 -2.298
152 HB ILE 20 HB ILE 20 41.752 4.745 0.217
153 HG12 ILE 20 HG12 ILE 20 43.344 5.047 -2.376
154 HG13 ILE 20 HG11 ILE 20 43.787 5.767 -0.815
155 HG21 ILE 20 HG21 ILE 20 41.403 3.717 -2.635
156 HG22 ILE 20 HG22 ILE 20 40.026 3.866 -1.523
157 HG23 ILE 20 HG23 ILE 20 41.380 2.794 -1.114
158 HD11 ILE 20 HD1 ILE 20 43.680 3.349 0.125
159 HD12 ILE 20 HD2 ILE 20 45.061 3.766 -0.917
160 HD13 ILE 20 HD3 ILE 20 43.699 2.832 -1.579
161 H GLN 21 HN GLN 21 40.377 8.405 -0.356
162 HA GLN 21 HA GLN 21 38.298 9.171 0.506
163 HB2 GLN 21 HB2 GLN 21 37.228 6.968 -0.566
164 HB3 GLN 21 HB1 GLN 21 37.329 6.347 1.098
165 HG2 GLN 21 HG2 GLN 21 36.126 8.482 1.838
166 HG3 GLN 21 HG1 GLN 21 35.827 8.807 0.114
167 HE21 GLN 21 HE21 GLN 21 33.455 8.575 0.854
168 HE22 GLN 21 HE22 GLN 21 32.791 6.938 0.890
169 H ASN 22 HN ASN 22 40.840 8.526 1.470
170 HA ASN 22 HA ASN 22 42.030 8.108 3.380
171 HB2 ASN 22 HB2 ASN 22 41.170 9.347 5.371
172 HB3 ASN 22 HB1 ASN 22 41.213 10.291 3.853
173 HD21 ASN 22 HD21 ASN 22 39.197 10.951 2.897
174 HD22 ASN 22 HD22 ASN 22 37.649 10.701 3.712
175 H HIS 23 HN HIS 23 41.243 5.897 2.680
176 HA HIS 23 HA HIS 23 40.431 4.539 5.242
177 HB2 HIS 23 HB2 HIS 23 39.060 4.186 2.546
178 HB3 HIS 23 HB1 HIS 23 38.944 2.994 3.863
179 HD1 HIS 23 HD1 HIS 23 38.870 5.123 6.231
180 HD2 HIS 23 HD2 HIS 23 36.373 5.063 2.852
181 HE1 HIS 23 HE1 HIS 23 36.768 6.455 6.813
182 H HIS 24 HN HIS 24 41.121 2.377 5.405
183 HA HIS 24 HA HIS 24 42.722 0.720 5.128
184 HB2 HIS 24 HB2 HIS 24 42.390 1.242 2.153
185 HB3 HIS 24 HB1 HIS 24 42.889 -0.272 2.945
186 HD1 HIS 24 HD1 HIS 24 40.372 1.027 5.097
187 HD2 HIS 24 HD2 HIS 24 40.252 -0.817 1.318
188 HE1 HIS 24 HE1 HIS 24 38.014 0.096 4.777
Start of MODEL 8
1 H1 PHE 1 HT1 PHE 1 51.592 1.792 -4.853
2 H2 PHE 1 HT2 PHE 1 53.139 2.463 -5.059
3 H3 PHE 1 HT3 PHE 1 52.962 0.922 -4.365
4 HA PHE 1 HA PHE 1 53.132 -0.009 -6.308
5 HB2 PHE 1 HB2 PHE 1 50.801 1.792 -7.081
6 HB3 PHE 1 HB1 PHE 1 51.350 0.358 -7.982
7 HD1 PHE 1 HD1 PHE 1 50.958 -1.898 -7.133
8 HD2 PHE 1 HD2 PHE 1 49.740 1.565 -4.861
9 HE1 PHE 1 HE1 PHE 1 49.582 -3.354 -5.651
10 HE2 PHE 1 HE2 PHE 1 48.366 0.108 -3.379
11 HZ PHE 1 HZ PHE 1 48.332 -2.357 -3.740
12 H LEU 2 HN LEU 2 53.127 3.474 -6.188
13 HA LEU 2 HA LEU 2 53.920 4.155 -8.791
14 HB2 LEU 2 HB2 LEU 2 53.456 5.713 -6.836
15 HB3 LEU 2 HB1 LEU 2 55.089 5.337 -6.248
16 HG LEU 2 HG LEU 2 55.949 6.075 -8.565
17 HD11 LEU 2 HD11 LEU 2 53.039 6.952 -8.744
18 HD12 LEU 2 HD12 LEU 2 54.037 6.138 -9.970
19 HD13 LEU 2 HD13 LEU 2 54.314 7.850 -9.598
20 HD21 LEU 2 HD21 LEU 2 54.556 8.134 -6.793
21 HD22 LEU 2 HD22 LEU 2 55.886 8.468 -7.928
22 HD23 LEU 2 HD23 LEU 2 56.168 7.438 -6.502
23 H GLY 3 HN GLY 3 56.272 3.943 -6.095
24 HA2 GLY 3 HA1 GLY 3 57.976 1.986 -7.100
25 HA3 GLY 3 HA2 GLY 3 58.456 3.471 -7.946
26 H ALA 4 HN ALA 4 57.169 4.444 -5.074
27 HA ALA 4 HA ALA 4 59.425 3.882 -3.305
28 HB1 ALA 4 HB1 ALA 4 59.125 6.689 -4.434
29 HB2 ALA 4 HB2 ALA 4 60.450 5.560 -4.805
30 HB3 ALA 4 HB3 ALA 4 60.250 6.186 -3.150
31 H LEU 5 HN LEU 5 56.292 4.716 -3.999
32 HA LEU 5 HA LEU 5 54.493 5.413 -2.710
33 HB2 LEU 5 HB2 LEU 5 56.330 4.164 -0.638
34 HB3 LEU 5 HB1 LEU 5 54.733 4.806 -0.198
35 HG LEU 5 HG LEU 5 53.689 3.325 -1.923
36 HD11 LEU 5 HD11 LEU 5 56.590 2.488 -2.303
37 HD12 LEU 5 HD12 LEU 5 55.394 2.955 -3.536
38 HD13 LEU 5 HD13 LEU 5 55.250 1.390 -2.708
39 HD21 LEU 5 HD21 LEU 5 53.869 2.594 0.434
40 HD22 LEU 5 HD22 LEU 5 55.482 1.913 0.108
41 HD23 LEU 5 HD23 LEU 5 54.043 1.207 -0.668
42 H ILE 6 HN ILE 6 54.830 7.633 -3.246
43 HA ILE 6 HA ILE 6 55.184 9.289 -0.828
44 HB ILE 6 HB ILE 6 56.902 10.805 -1.938
45 HG12 ILE 6 HG12 ILE 6 57.242 8.453 -3.853
46 HG13 ILE 6 HG11 ILE 6 56.490 10.009 -4.274
47 HG21 ILE 6 HG21 ILE 6 57.464 8.949 -0.252
48 HG22 ILE 6 HG22 ILE 6 58.806 9.541 -1.256
49 HG23 ILE 6 HG23 ILE 6 58.020 7.993 -1.647
50 HD11 ILE 6 HD1 ILE 6 58.708 11.090 -3.452
51 HD12 ILE 6 HD2 ILE 6 58.741 10.225 -5.007
52 HD13 ILE 6 HD3 ILE 6 59.385 9.445 -3.544
53 H LYS 7 HN LYS 7 55.479 11.786 -2.199
54 HA LYS 7 HA LYS 7 53.867 13.318 -2.895
55 HB2 LYS 7 HB2 LYS 7 53.052 11.038 -4.782
56 HB3 LYS 7 HB1 LYS 7 52.390 12.688 -4.854
57 HG2 LYS 7 HG2 LYS 7 54.506 13.629 -5.455
58 HG3 LYS 7 HG1 LYS 7 55.379 12.140 -5.019
59 HD2 LYS 7 HD2 LYS 7 55.161 12.325 -7.471
60 HD3 LYS 7 HD1 LYS 7 54.233 10.934 -6.867
61 HE2 LYS 7 HE2 LYS 7 52.155 12.063 -7.124
62 HE3 LYS 7 HE1 LYS 7 52.936 13.657 -7.262
63 HZ1 LYS 7 HZ1 LYS 7 52.456 11.665 -9.281
64 HZ2 LYS 7 HZ2 LYS 7 54.064 12.212 -9.270
65 HZ3 LYS 7 HZ3 LYS 7 52.787 13.320 -9.447
66 H GLY 8 HN GLY 8 53.945 11.355 -1.032
67 HA2 GLY 8 HA1 GLY 8 52.990 10.201 0.545
68 HA3 GLY 8 HA2 GLY 8 51.753 11.517 0.606
69 H ALA 9 HN ALA 9 52.680 8.720 -1.416
70 HA ALA 9 HA ALA 9 51.451 6.979 -2.299
71 HB1 ALA 9 HB1 ALA 9 49.332 7.604 -0.227
72 HB2 ALA 9 HB2 ALA 9 50.850 6.759 0.160
73 HB3 ALA 9 HB3 ALA 9 49.701 6.041 -0.993
74 H ILE 10 HN ILE 10 50.551 10.120 -2.521
75 HA ILE 10 HA ILE 10 48.785 9.559 -4.791
76 HB ILE 10 HB ILE 10 47.018 11.303 -3.594
77 HG12 ILE 10 HG12 ILE 10 47.934 9.472 -1.330
78 HG13 ILE 10 HG11 ILE 10 48.410 11.179 -1.465
79 HG21 ILE 10 HG21 ILE 10 45.499 9.494 -3.328
80 HG22 ILE 10 HG22 ILE 10 46.798 8.321 -3.034
81 HG23 ILE 10 HG23 ILE 10 46.564 9.004 -4.659
82 HD11 ILE 10 HD1 ILE 10 46.515 11.185 -0.023
83 HD12 ILE 10 HD2 ILE 10 45.632 10.022 -1.037
84 HD13 ILE 10 HD3 ILE 10 45.871 11.694 -1.600
85 H HIS 11 HN HIS 11 48.491 12.435 -2.766
86 HA HIS 11 HA HIS 11 50.410 13.933 -4.502
87 HB2 HIS 11 HB2 HIS 11 48.109 14.057 -5.542
88 HB3 HIS 11 HB1 HIS 11 47.539 14.839 -4.049
89 HD1 HIS 11 HD1 HIS 11 51.020 15.740 -4.824
90 HD2 HIS 11 HD2 HIS 11 47.220 17.128 -5.970
91 HE1 HIS 11 HE1 HIS 11 51.325 18.088 -5.785
92 H GLY 12 HN GLY 12 50.081 12.988 -1.613
93 HA2 GLY 12 HA1 GLY 12 50.901 13.919 0.365
94 HA3 GLY 12 HA2 GLY 12 50.982 15.508 -0.417
95 H GLY 13 HN GLY 13 48.335 13.171 0.252
96 HA2 GLY 13 HA1 GLY 13 46.272 13.510 1.239
97 HA3 GLY 13 HA2 GLY 13 47.123 14.602 2.350
98 H ARG 14 HN ARG 14 45.644 14.435 -0.903
99 HA ARG 14 HA ARG 14 44.196 16.900 -0.434
100 HB2 ARG 14 HB2 ARG 14 46.483 17.814 -0.884
101 HB3 ARG 14 HB1 ARG 14 46.461 17.012 -2.469
102 HG2 ARG 14 HG2 ARG 14 45.809 19.359 -2.734
103 HG3 ARG 14 HG1 ARG 14 44.409 18.321 -3.074
104 HD2 ARG 14 HD2 ARG 14 43.296 18.957 -1.107
105 HD3 ARG 14 HD1 ARG 14 44.806 19.359 -0.253
106 HE ARG 14 HE ARG 14 44.607 21.188 -2.383
107 HH11 ARG 14 HH11 ARG 14 44.177 21.164 0.844
108 HH12 ARG 14 HH12 ARG 14 42.875 22.305 0.907
109 HH21 ARG 14 HH21 ARG 14 42.321 22.265 -2.515
110 HH22 ARG 14 HH22 ARG 14 41.825 22.928 -0.994
111 H PHE 15 HN PHE 15 45.377 14.352 -2.547
112 HA PHE 15 HA PHE 15 43.452 14.876 -4.680
113 HB2 PHE 15 HB2 PHE 15 45.643 13.643 -4.961
114 HB3 PHE 15 HB1 PHE 15 44.924 12.288 -4.061
115 HD1 PHE 15 HD1 PHE 15 43.154 10.915 -5.032
116 HD2 PHE 15 HD2 PHE 15 44.780 14.283 -7.188
117 HE1 PHE 15 HE1 PHE 15 42.049 10.115 -7.117
118 HE2 PHE 15 HE2 PHE 15 43.675 13.481 -9.273
119 HZ PHE 15 HZ PHE 15 42.277 11.419 -9.228
120 H ILE 16 HN ILE 16 43.461 13.198 -1.630
121 HA ILE 16 HA ILE 16 40.611 12.807 -1.731
122 HB ILE 16 HB ILE 16 41.051 10.956 -3.202
123 HG12 ILE 16 HG12 ILE 16 40.777 9.495 -0.550
124 HG13 ILE 16 HG11 ILE 16 39.535 10.679 -1.013
125 HG21 ILE 16 HG21 ILE 16 43.021 9.856 -1.148
126 HG22 ILE 16 HG22 ILE 16 43.488 10.744 -2.615
127 HG23 ILE 16 HG23 ILE 16 42.642 9.186 -2.750
128 HD11 ILE 16 HD1 ILE 16 40.439 8.299 -2.695
129 HD12 ILE 16 HD2 ILE 16 39.188 9.479 -3.152
130 HD13 ILE 16 HD3 ILE 16 38.928 8.400 -1.760
131 H HIS 17 HN HIS 17 41.446 14.180 0.076
132 HA HIS 17 HA HIS 17 41.202 12.700 2.539
133 HB2 HIS 17 HB2 HIS 17 43.593 12.159 1.974
134 HB3 HIS 17 HB1 HIS 17 43.951 13.902 2.014
135 HD1 HIS 17 HD1 HIS 17 41.756 11.810 4.377
136 HD2 HIS 17 HD2 HIS 17 45.146 14.296 4.476
137 HE1 HIS 17 HE1 HIS 17 42.459 12.041 6.822
138 H GLY 18 HN GLY 18 41.691 15.515 0.626
139 HA2 GLY 18 HA1 GLY 18 40.372 17.169 2.674
140 HA3 GLY 18 HA2 GLY 18 42.029 17.657 2.266
141 H MET 19 HN MET 19 39.280 16.384 0.375
142 HA MET 19 HA MET 19 38.688 18.842 -1.028
143 HB2 MET 19 HB2 MET 19 40.891 18.333 -1.901
144 HB3 MET 19 HB1 MET 19 40.295 16.759 -2.405
145 HG2 MET 19 HG2 MET 19 38.659 17.847 -3.918
146 HG3 MET 19 HG1 MET 19 39.232 19.443 -3.380
147 HE1 MET 19 HE1 MET 19 40.325 18.696 -7.137
148 HE2 MET 19 HE2 MET 19 38.924 19.056 -6.100
149 HE3 MET 19 HE3 MET 19 39.368 17.366 -6.440
150 H ILE 20 HN ILE 20 39.106 15.380 -1.918
151 HA ILE 20 HA ILE 20 36.341 15.194 -2.863
152 HB ILE 20 HB ILE 20 38.106 12.928 -1.804
153 HG12 ILE 20 HG12 ILE 20 39.467 13.913 -3.484
154 HG13 ILE 20 HG11 ILE 20 38.624 12.612 -4.341
155 HG21 ILE 20 HG21 ILE 20 35.650 13.060 -3.598
156 HG22 ILE 20 HG22 ILE 20 35.854 12.193 -2.063
157 HG23 ILE 20 HG23 ILE 20 36.696 11.623 -3.519
158 HD11 ILE 20 HD1 ILE 20 38.059 15.605 -4.431
159 HD12 ILE 20 HD2 ILE 20 36.893 14.403 -5.031
160 HD13 ILE 20 HD3 ILE 20 38.500 14.526 -5.776
161 H GLN 21 HN GLN 21 37.979 15.752 -0.100
162 HA GLN 21 HA GLN 21 35.769 14.910 1.720
163 HB2 GLN 21 HB2 GLN 21 37.973 13.847 2.242
164 HB3 GLN 21 HB1 GLN 21 38.707 15.466 2.342
165 HG2 GLN 21 HG2 GLN 21 37.267 16.075 4.203
166 HG3 GLN 21 HG1 GLN 21 36.333 14.569 4.032
167 HE21 GLN 21 HE21 GLN 21 37.727 15.335 6.480
168 HE22 GLN 21 HE22 GLN 21 39.005 14.141 6.734
169 H ASN 22 HN ASN 22 37.948 17.517 0.339
170 HA ASN 22 HA ASN 22 36.272 19.459 2.046
171 HB2 ASN 22 HB2 ASN 22 39.082 19.947 1.012
172 HB3 ASN 22 HB1 ASN 22 38.113 21.009 2.050
173 HD21 ASN 22 HD21 ASN 22 37.082 18.273 3.322
174 HD22 ASN 22 HD22 ASN 22 38.360 17.926 4.491
175 H HIS 23 HN HIS 23 35.486 18.400 -0.537
176 HA HIS 23 HA HIS 23 34.775 19.155 -2.612
177 HB2 HIS 23 HB2 HIS 23 34.632 21.737 -1.011
178 HB3 HIS 23 HB1 HIS 23 33.896 21.505 -2.616
179 HD1 HIS 23 HD1 HIS 23 32.022 19.599 -2.814
180 HD2 HIS 23 HD2 HIS 23 33.221 20.525 1.106
181 HE1 HIS 23 HE1 HIS 23 30.243 18.669 -1.233
182 H HIS 24 HN HIS 24 36.212 22.296 -1.809
183 HA HIS 24 HA HIS 24 38.660 21.859 -3.288
184 HB2 HIS 24 HB2 HIS 24 37.069 21.818 -5.195
185 HB3 HIS 24 HB1 HIS 24 36.481 23.430 -4.720
186 HD1 HIS 24 HD1 HIS 24 37.656 25.367 -5.763
187 HD2 HIS 24 HD2 HIS 24 40.093 21.943 -5.619
188 HE1 HIS 24 HE1 HIS 24 39.833 25.927 -6.978
Start of MODEL 9
1 H1 PHE 1 HT1 PHE 1 53.106 2.965 -12.247
2 H2 PHE 1 HT2 PHE 1 52.182 3.270 -10.854
3 H3 PHE 1 HT3 PHE 1 52.163 1.730 -11.571
4 HA PHE 1 HA PHE 1 53.496 1.746 -9.589
5 HB2 PHE 1 HB2 PHE 1 55.255 1.534 -12.058
6 HB3 PHE 1 HB1 PHE 1 55.402 0.634 -10.529
7 HD1 PHE 1 HD1 PHE 1 53.406 1.046 -13.640
8 HD2 PHE 1 HD2 PHE 1 53.948 -1.253 -10.026
9 HE1 PHE 1 HE1 PHE 1 51.887 -0.716 -14.532
10 HE2 PHE 1 HE2 PHE 1 52.428 -3.015 -10.920
11 HZ PHE 1 HZ PHE 1 51.430 -2.765 -13.189
12 H LEU 2 HN LEU 2 53.773 3.652 -8.457
13 HA LEU 2 HA LEU 2 55.344 5.857 -9.480
14 HB2 LEU 2 HB2 LEU 2 54.320 5.049 -6.739
15 HB3 LEU 2 HB1 LEU 2 55.394 6.455 -6.933
16 HG LEU 2 HG LEU 2 53.816 7.480 -8.515
17 HD11 LEU 2 HD11 LEU 2 52.826 5.619 -9.637
18 HD12 LEU 2 HD12 LEU 2 51.499 6.344 -8.701
19 HD13 LEU 2 HD13 LEU 2 52.303 4.870 -8.109
20 HD21 LEU 2 HD21 LEU 2 51.938 7.869 -6.924
21 HD22 LEU 2 HD22 LEU 2 53.516 7.910 -6.101
22 HD23 LEU 2 HD23 LEU 2 52.475 6.471 -5.963
23 H GLY 3 HN GLY 3 56.138 2.779 -8.173
24 HA2 GLY 3 HA1 GLY 3 58.196 1.811 -7.745
25 HA3 GLY 3 HA2 GLY 3 58.950 3.207 -8.541
26 H ALA 4 HN ALA 4 56.983 4.432 -6.186
27 HA ALA 4 HA ALA 4 58.622 3.956 -3.836
28 HB1 ALA 4 HB1 ALA 4 58.914 6.646 -5.219
29 HB2 ALA 4 HB2 ALA 4 60.173 5.391 -5.131
30 HB3 ALA 4 HB3 ALA 4 59.603 6.188 -3.644
31 H LEU 5 HN LEU 5 57.341 4.235 -2.136
32 HA LEU 5 HA LEU 5 54.700 5.397 -2.480
33 HB2 LEU 5 HB2 LEU 5 56.272 4.318 -0.118
34 HB3 LEU 5 HB1 LEU 5 54.681 5.081 0.108
35 HG LEU 5 HG LEU 5 53.671 3.468 -1.473
36 HD11 LEU 5 HD11 LEU 5 55.172 1.438 -2.077
37 HD12 LEU 5 HD12 LEU 5 56.548 2.499 -1.688
38 HD13 LEU 5 HD13 LEU 5 55.423 2.939 -2.995
39 HD21 LEU 5 HD21 LEU 5 53.777 2.921 0.943
40 HD22 LEU 5 HD22 LEU 5 55.364 2.152 0.703
41 HD23 LEU 5 HD23 LEU 5 53.911 1.450 -0.047
42 H ILE 6 HN ILE 6 54.861 7.548 -3.068
43 HA ILE 6 HA ILE 6 55.303 9.399 -0.816
44 HB ILE 6 HB ILE 6 56.933 10.852 -2.133
45 HG12 ILE 6 HG12 ILE 6 57.228 8.351 -3.859
46 HG13 ILE 6 HG11 ILE 6 56.435 9.859 -4.372
47 HG21 ILE 6 HG21 ILE 6 58.896 9.688 -1.442
48 HG22 ILE 6 HG22 ILE 6 58.130 8.098 -1.664
49 HG23 ILE 6 HG23 ILE 6 57.618 9.158 -0.327
50 HD11 ILE 6 HD1 ILE 6 58.645 10.044 -5.225
51 HD12 ILE 6 HD2 ILE 6 59.367 9.385 -3.739
52 HD13 ILE 6 HD3 ILE 6 58.675 11.026 -3.741
53 H LYS 7 HN LYS 7 55.469 11.786 -2.352
54 HA LYS 7 HA LYS 7 53.798 13.234 -3.077
55 HB2 LYS 7 HB2 LYS 7 52.890 10.825 -4.752
56 HB3 LYS 7 HB1 LYS 7 52.270 12.481 -4.931
57 HG2 LYS 7 HG2 LYS 7 54.502 13.295 -5.535
58 HG3 LYS 7 HG1 LYS 7 55.190 11.674 -5.268
59 HD2 LYS 7 HD2 LYS 7 53.782 10.756 -7.071
60 HD3 LYS 7 HD1 LYS 7 53.039 12.355 -7.322
61 HE2 LYS 7 HE2 LYS 7 56.024 11.792 -7.584
62 HE3 LYS 7 HE1 LYS 7 54.890 11.845 -8.955
63 HZ1 LYS 7 HZ1 LYS 7 56.221 13.973 -7.976
64 HZ2 LYS 7 HZ2 LYS 7 54.732 14.119 -7.172
65 HZ3 LYS 7 HZ3 LYS 7 54.782 14.066 -8.869
66 H GLY 8 HN GLY 8 54.018 11.413 -1.090
67 HA2 GLY 8 HA1 GLY 8 53.163 10.349 0.614
68 HA3 GLY 8 HA2 GLY 8 51.911 11.649 0.649
69 H ALA 9 HN ALA 9 52.761 8.776 -1.304
70 HA ALA 9 HA ALA 9 51.510 6.978 -2.025
71 HB1 ALA 9 HB1 ALA 9 49.891 6.049 -0.554
72 HB2 ALA 9 HB2 ALA 9 49.540 7.631 0.181
73 HB3 ALA 9 HB3 ALA 9 51.104 6.836 0.482
74 H ILE 10 HN ILE 10 50.596 10.067 -2.372
75 HA ILE 10 HA ILE 10 48.628 9.381 -4.429
76 HB ILE 10 HB ILE 10 46.974 11.222 -3.202
77 HG12 ILE 10 HG12 ILE 10 48.038 9.509 -0.913
78 HG13 ILE 10 HG11 ILE 10 48.556 11.184 -1.198
79 HG21 ILE 10 HG21 ILE 10 46.414 8.874 -4.092
80 HG22 ILE 10 HG22 ILE 10 45.467 9.451 -2.707
81 HG23 ILE 10 HG23 ILE 10 46.775 8.279 -2.456
82 HD11 ILE 10 HD1 ILE 10 46.045 11.799 -1.148
83 HD12 ILE 10 HD2 ILE 10 46.788 11.334 0.399
84 HD13 ILE 10 HD3 ILE 10 45.779 10.168 -0.487
85 H HIS 11 HN HIS 11 48.526 12.387 -2.572
86 HA HIS 11 HA HIS 11 50.332 13.753 -4.504
87 HB2 HIS 11 HB2 HIS 11 48.055 13.767 -5.550
88 HB3 HIS 11 HB1 HIS 11 47.441 14.619 -4.113
89 HD1 HIS 11 HD1 HIS 11 50.852 15.268 -5.682
90 HD2 HIS 11 HD2 HIS 11 47.100 17.136 -5.321
91 HE1 HIS 11 HE1 HIS 11 51.100 17.652 -6.569
92 H GLY 12 HN GLY 12 50.266 13.100 -1.594
93 HA2 GLY 12 HA1 GLY 12 51.125 14.260 0.241
94 HA3 GLY 12 HA2 GLY 12 50.981 15.783 -0.657
95 H GLY 13 HN GLY 13 48.396 13.413 -0.072
96 HA2 GLY 13 HA1 GLY 13 46.428 13.601 1.127
97 HA3 GLY 13 HA2 GLY 13 47.266 14.740 2.200
98 H ARG 14 HN ARG 14 46.558 14.949 -1.299
99 HA ARG 14 HA ARG 14 44.753 17.296 -0.729
100 HB2 ARG 14 HB2 ARG 14 46.835 17.139 -2.948
101 HB3 ARG 14 HB1 ARG 14 45.742 18.499 -2.610
102 HG2 ARG 14 HG2 ARG 14 47.771 17.441 -0.593
103 HG3 ARG 14 HG1 ARG 14 48.123 18.764 -1.725
104 HD2 ARG 14 HD2 ARG 14 45.989 19.904 -0.767
105 HD3 ARG 14 HD1 ARG 14 46.110 18.713 0.550
106 HE ARG 14 HE ARG 14 47.798 21.036 0.219
107 HH11 ARG 14 HH11 ARG 14 47.224 18.142 1.889
108 HH12 ARG 14 HH12 ARG 14 48.764 18.105 2.680
109 HH21 ARG 14 HH21 ARG 14 50.023 20.823 0.934
110 HH22 ARG 14 HH22 ARG 14 50.350 19.623 2.139
111 H PHE 15 HN PHE 15 45.517 14.397 -2.464
112 HA PHE 15 HA PHE 15 43.780 14.776 -4.723
113 HB2 PHE 15 HB2 PHE 15 45.547 13.004 -4.512
114 HB3 PHE 15 HB1 PHE 15 44.501 12.163 -3.341
115 HD1 PHE 15 HD1 PHE 15 44.405 13.668 -6.799
116 HD2 PHE 15 HD2 PHE 15 42.916 10.598 -4.152
117 HE1 PHE 15 HE1 PHE 15 43.144 12.648 -8.689
118 HE2 PHE 15 HE2 PHE 15 41.657 9.579 -6.044
119 HZ PHE 15 HZ PHE 15 41.792 10.589 -8.318
120 H ILE 16 HN ILE 16 43.249 13.823 -1.378
121 HA ILE 16 HA ILE 16 40.418 14.295 -1.608
122 HB ILE 16 HB ILE 16 40.333 12.163 -2.742
123 HG12 ILE 16 HG12 ILE 16 39.482 11.296 0.038
124 HG13 ILE 16 HG11 ILE 16 38.733 12.760 -0.639
125 HG21 ILE 16 HG21 ILE 16 41.255 10.104 -1.812
126 HG22 ILE 16 HG22 ILE 16 41.788 10.956 -0.347
127 HG23 ILE 16 HG23 ILE 16 42.539 11.329 -1.915
128 HD11 ILE 16 HD1 ILE 16 38.838 10.045 -2.027
129 HD12 ILE 16 HD2 ILE 16 38.013 11.505 -2.623
130 HD13 ILE 16 HD3 ILE 16 37.432 10.693 -1.150
131 H HIS 17 HN HIS 17 41.924 15.559 -0.013
132 HA HIS 17 HA HIS 17 41.087 14.717 2.658
133 HB2 HIS 17 HB2 HIS 17 44.030 14.627 1.879
134 HB3 HIS 17 HB1 HIS 17 43.492 14.827 3.563
135 HD1 HIS 17 HD1 HIS 17 41.359 12.905 4.068
136 HD2 HIS 17 HD2 HIS 17 44.538 11.951 1.486
137 HE1 HIS 17 HE1 HIS 17 41.449 10.359 3.881
138 H GLY 18 HN GLY 18 42.401 16.825 0.314
139 HA2 GLY 18 HA1 GLY 18 41.759 19.175 1.997
140 HA3 GLY 18 HA2 GLY 18 43.439 19.038 1.433
141 H MET 19 HN MET 19 40.223 18.386 0.052
142 HA MET 19 HA MET 19 40.215 20.518 -1.883
143 HB2 MET 19 HB2 MET 19 42.048 19.191 -2.742
144 HB3 MET 19 HB1 MET 19 40.974 17.802 -2.811
145 HG2 MET 19 HG2 MET 19 39.542 18.942 -4.453
146 HG3 MET 19 HG1 MET 19 40.525 20.416 -4.311
147 HE1 MET 19 HE1 MET 19 41.239 19.100 -7.891
148 HE2 MET 19 HE2 MET 19 40.241 20.147 -6.854
149 HE3 MET 19 HE3 MET 19 39.809 18.433 -7.065
150 H ILE 20 HN ILE 20 39.517 16.997 -1.755
151 HA ILE 20 HA ILE 20 36.737 17.409 -2.604
152 HB ILE 20 HB ILE 20 38.219 15.086 -1.263
153 HG12 ILE 20 HG12 ILE 20 37.897 13.964 -3.379
154 HG13 ILE 20 HG11 ILE 20 36.765 15.215 -3.942
155 HG21 ILE 20 HG21 ILE 20 36.036 13.805 -1.687
156 HG22 ILE 20 HG22 ILE 20 35.255 15.392 -1.891
157 HG23 ILE 20 HG23 ILE 20 36.005 14.960 -0.334
158 HD11 ILE 20 HD1 ILE 20 38.511 16.839 -4.169
159 HD12 ILE 20 HD2 ILE 20 39.164 15.339 -4.871
160 HD13 ILE 20 HD3 ILE 20 39.659 15.845 -3.239
161 H GLN 21 HN GLN 21 38.733 18.144 -0.128
162 HA GLN 21 HA GLN 21 36.551 18.589 1.851
163 HB2 GLN 21 HB2 GLN 21 38.272 16.844 2.539
164 HB3 GLN 21 HB1 GLN 21 39.507 18.119 2.431
165 HG2 GLN 21 HG2 GLN 21 38.806 18.003 4.738
166 HG3 GLN 21 HG1 GLN 21 38.097 19.483 4.054
167 HE21 GLN 21 HE21 GLN 21 36.433 19.283 5.832
168 HE22 GLN 21 HE22 GLN 21 35.087 18.164 5.592
169 H ASN 22 HN ASN 22 39.356 19.796 -0.156
170 HA ASN 22 HA ASN 22 38.860 22.503 1.226
171 HB2 ASN 22 HB2 ASN 22 41.222 21.384 1.342
172 HB3 ASN 22 HB1 ASN 22 41.360 21.876 -0.360
173 HD21 ASN 22 HD21 ASN 22 42.880 23.582 -0.122
174 HD22 ASN 22 HD22 ASN 22 42.531 25.035 0.820
175 H HIS 23 HN HIS 23 37.415 21.179 -1.074
176 HA HIS 23 HA HIS 23 38.019 22.150 -3.582
177 HB2 HIS 23 HB2 HIS 23 35.997 20.832 -3.023
178 HB3 HIS 23 HB1 HIS 23 35.278 22.273 -2.264
179 HD1 HIS 23 HD1 HIS 23 37.332 23.002 -5.261
180 HD2 HIS 23 HD2 HIS 23 33.295 22.181 -4.418
181 HE1 HIS 23 HE1 HIS 23 35.978 23.629 -7.335
182 H HIS 24 HN HIS 24 38.292 24.039 -4.575
183 HA HIS 24 HA HIS 24 38.350 26.491 -3.096
184 HB2 HIS 24 HB2 HIS 24 39.687 26.100 -5.132
185 HB3 HIS 24 HB1 HIS 24 38.198 26.036 -6.104
186 HD1 HIS 24 HD1 HIS 24 37.951 28.502 -3.387
187 HD2 HIS 24 HD2 HIS 24 39.453 28.475 -7.316
188 HE1 HIS 24 HE1 HIS 24 38.177 30.934 -4.133
Start of MODEL 10
1 H1 PHE 1 HT1 PHE 1 50.130 6.379 5.315
2 H2 PHE 1 HT2 PHE 1 48.635 6.372 6.124
3 H3 PHE 1 HT3 PHE 1 48.753 7.004 4.551
4 HA PHE 1 HA PHE 1 49.160 4.192 5.345
5 HB2 PHE 1 HB2 PHE 1 46.943 5.522 3.738
6 HB3 PHE 1 HB1 PHE 1 47.086 3.784 4.095
7 HD1 PHE 1 HD1 PHE 1 46.312 7.125 5.476
8 HD2 PHE 1 HD2 PHE 1 46.741 2.926 6.379
9 HE1 PHE 1 HE1 PHE 1 45.161 7.477 7.658
10 HE2 PHE 1 HE2 PHE 1 45.591 3.278 8.562
11 HZ PHE 1 HZ PHE 1 44.863 5.566 9.230
12 H LEU 2 HN LEU 2 49.693 6.778 3.104
13 HA LEU 2 HA LEU 2 50.734 6.830 1.033
14 HB2 LEU 2 HB2 LEU 2 51.791 4.050 1.648
15 HB3 LEU 2 HB1 LEU 2 52.550 5.333 0.677
16 HG LEU 2 HG LEU 2 52.056 5.405 3.688
17 HD11 LEU 2 HD11 LEU 2 54.523 5.348 3.819
18 HD12 LEU 2 HD12 LEU 2 54.622 5.256 2.044
19 HD13 LEU 2 HD13 LEU 2 53.906 3.913 2.967
20 HD21 LEU 2 HD21 LEU 2 51.856 7.661 2.924
21 HD22 LEU 2 HD22 LEU 2 53.142 7.453 1.711
22 HD23 LEU 2 HD23 LEU 2 53.549 7.514 3.443
23 H GLY 3 HN GLY 3 51.120 5.438 -1.065
24 HA2 GLY 3 HA1 GLY 3 49.491 3.237 -1.694
25 HA3 GLY 3 HA2 GLY 3 48.494 4.678 -1.969
26 H ALA 4 HN ALA 4 51.811 5.305 -2.355
27 HA ALA 4 HA ALA 4 52.081 4.403 -5.107
28 HB1 ALA 4 HB1 ALA 4 51.714 7.388 -4.713
29 HB2 ALA 4 HB2 ALA 4 50.423 6.310 -5.297
30 HB3 ALA 4 HB3 ALA 4 51.918 6.504 -6.243
31 H LEU 5 HN LEU 5 53.316 5.057 -2.236
32 HA LEU 5 HA LEU 5 55.439 5.548 -1.435
33 HB2 LEU 5 HB2 LEU 5 56.428 4.935 -4.242
34 HB3 LEU 5 HB1 LEU 5 57.286 4.711 -2.700
35 HG LEU 5 HG LEU 5 54.774 3.203 -3.560
36 HD11 LEU 5 HD11 LEU 5 56.236 1.300 -3.885
37 HD12 LEU 5 HD12 LEU 5 57.634 2.197 -3.246
38 HD13 LEU 5 HD13 LEU 5 56.917 2.662 -4.807
39 HD21 LEU 5 HD21 LEU 5 56.526 3.144 -1.066
40 HD22 LEU 5 HD22 LEU 5 55.521 1.752 -1.537
41 HD23 LEU 5 HD23 LEU 5 54.757 3.314 -1.171
42 H ILE 6 HN ILE 6 55.543 7.670 -0.948
43 HA ILE 6 HA ILE 6 56.121 9.935 -1.166
44 HB ILE 6 HB ILE 6 57.503 9.284 -3.821
45 HG12 ILE 6 HG12 ILE 6 58.345 7.477 -2.536
46 HG13 ILE 6 HG11 ILE 6 59.573 8.744 -2.354
47 HG21 ILE 6 HG21 ILE 6 58.694 11.230 -3.451
48 HG22 ILE 6 HG22 ILE 6 58.796 10.984 -1.697
49 HG23 ILE 6 HG23 ILE 6 57.311 11.640 -2.414
50 HD11 ILE 6 HD1 ILE 6 59.318 8.030 -0.134
51 HD12 ILE 6 HD2 ILE 6 57.582 7.706 -0.319
52 HD13 ILE 6 HD3 ILE 6 58.163 9.378 -0.177
53 H LYS 7 HN LYS 7 56.588 11.083 -4.012
54 HA LYS 7 HA LYS 7 55.157 12.471 -5.230
55 HB2 LYS 7 HB2 LYS 7 52.940 10.393 -4.987
56 HB3 LYS 7 HB1 LYS 7 53.273 11.501 -6.341
57 HG2 LYS 7 HG2 LYS 7 55.001 9.129 -5.508
58 HG3 LYS 7 HG1 LYS 7 53.924 9.189 -6.922
59 HD2 LYS 7 HD2 LYS 7 55.254 11.212 -7.718
60 HD3 LYS 7 HD1 LYS 7 56.420 10.860 -6.420
61 HE2 LYS 7 HE2 LYS 7 55.599 8.927 -8.632
62 HE3 LYS 7 HE1 LYS 7 57.130 9.833 -8.564
63 HZ1 LYS 7 HZ1 LYS 7 56.466 7.401 -7.304
64 HZ2 LYS 7 HZ2 LYS 7 56.797 8.560 -6.106
65 HZ3 LYS 7 HZ3 LYS 7 57.950 8.223 -7.307
66 H GLY 8 HN GLY 8 55.546 12.052 -2.585
67 HA2 GLY 8 HA1 GLY 8 54.890 12.287 -0.476
68 HA3 GLY 8 HA2 GLY 8 54.404 13.925 -1.059
69 H ALA 9 HN ALA 9 53.444 10.886 0.156
70 HA ALA 9 HA ALA 9 51.383 9.838 0.433
71 HB1 ALA 9 HB1 ALA 9 51.652 11.346 2.361
72 HB2 ALA 9 HB2 ALA 9 49.938 11.157 1.916
73 HB3 ALA 9 HB3 ALA 9 50.818 12.638 1.465
74 H ILE 10 HN ILE 10 51.396 10.194 -2.147
75 HA ILE 10 HA ILE 10 50.224 10.869 -4.052
76 HB ILE 10 HB ILE 10 47.625 10.244 -3.710
77 HG12 ILE 10 HG12 ILE 10 48.982 8.967 -1.283
78 HG13 ILE 10 HG11 ILE 10 47.776 10.269 -1.215
79 HG21 ILE 10 HG21 ILE 10 49.389 8.908 -4.949
80 HG22 ILE 10 HG22 ILE 10 48.164 7.915 -4.137
81 HG23 ILE 10 HG23 ILE 10 49.778 8.101 -3.412
82 HD11 ILE 10 HD1 ILE 10 46.442 8.365 -0.875
83 HD12 ILE 10 HD2 ILE 10 47.400 7.367 -1.991
84 HD13 ILE 10 HD3 ILE 10 46.287 8.601 -2.631
85 H HIS 11 HN HIS 11 47.300 11.562 -2.279
86 HA HIS 11 HA HIS 11 46.762 13.985 -3.491
87 HB2 HIS 11 HB2 HIS 11 45.423 14.534 -1.418
88 HB3 HIS 11 HB1 HIS 11 45.104 12.929 -2.116
89 HD1 HIS 11 HD1 HIS 11 45.273 10.991 -0.545
90 HD2 HIS 11 HD2 HIS 11 47.489 14.305 0.793
91 HE1 HIS 11 HE1 HIS 11 46.194 10.409 1.766
92 H GLY 12 HN GLY 12 49.341 13.373 -1.263
93 HA2 GLY 12 HA1 GLY 12 49.483 16.132 -0.262
94 HA3 GLY 12 HA2 GLY 12 50.697 14.855 -0.050
95 H GLY 13 HN GLY 13 49.656 15.132 -3.252
96 HA2 GLY 13 HA1 GLY 13 51.376 17.305 -4.098
97 HA3 GLY 13 HA2 GLY 13 52.135 15.722 -4.365
98 H ARG 14 HN ARG 14 48.977 14.989 -4.527
99 HA ARG 14 HA ARG 14 48.864 15.511 -7.497
100 HB2 ARG 14 HB2 ARG 14 47.498 13.302 -5.910
101 HB3 ARG 14 HB1 ARG 14 47.550 13.479 -7.678
102 HG2 ARG 14 HG2 ARG 14 49.916 12.951 -5.827
103 HG3 ARG 14 HG1 ARG 14 49.219 11.829 -7.017
104 HD2 ARG 14 HD2 ARG 14 49.759 13.743 -8.759
105 HD3 ARG 14 HD1 ARG 14 50.870 14.330 -7.494
106 HE ARG 14 HE ARG 14 52.259 12.453 -7.914
107 HH11 ARG 14 HH11 ARG 14 50.299 10.258 -7.689
108 HH12 ARG 14 HH12 ARG 14 50.214 9.644 -9.307
109 HH21 ARG 14 HH21 ARG 14 51.658 12.457 -10.733
110 HH22 ARG 14 HH22 ARG 14 50.984 10.888 -11.029
111 H PHE 15 HN PHE 15 46.949 15.531 -4.450
112 HA PHE 15 HA PHE 15 44.524 16.394 -5.740
113 HB2 PHE 15 HB2 PHE 15 44.670 15.656 -3.348
114 HB3 PHE 15 HB1 PHE 15 45.544 17.161 -2.967
115 HD1 PHE 15 HD1 PHE 15 42.315 15.763 -4.227
116 HD2 PHE 15 HD2 PHE 15 44.374 19.260 -2.757
117 HE1 PHE 15 HE1 PHE 15 40.140 16.962 -4.033
118 HE2 PHE 15 HE2 PHE 15 42.199 20.459 -2.562
119 HZ PHE 15 HZ PHE 15 40.078 19.293 -3.154
120 H ILE 16 HN ILE 16 45.147 17.819 -7.386
121 HA ILE 16 HA ILE 16 45.977 19.766 -8.326
122 HB ILE 16 HB ILE 16 43.821 20.612 -7.752
123 HG12 ILE 16 HG12 ILE 16 45.525 22.800 -6.514
124 HG13 ILE 16 HG11 ILE 16 45.882 22.283 -8.176
125 HG21 ILE 16 HG21 ILE 16 43.320 21.619 -5.507
126 HG22 ILE 16 HG22 ILE 16 44.874 21.006 -4.919
127 HG23 ILE 16 HG23 ILE 16 43.612 19.871 -5.450
128 HD11 ILE 16 HD1 ILE 16 44.317 24.169 -8.208
129 HD12 ILE 16 HD2 ILE 16 43.193 23.296 -7.144
130 HD13 ILE 16 HD3 ILE 16 43.496 22.705 -8.794
131 H HIS 17 HN HIS 17 48.181 19.154 -7.836
132 HA HIS 17 HA HIS 17 49.530 21.325 -6.388
133 HB2 HIS 17 HB2 HIS 17 49.457 18.507 -5.263
134 HB3 HIS 17 HB1 HIS 17 50.822 19.597 -4.935
135 HD1 HIS 17 HD1 HIS 17 48.031 18.496 -3.213
136 HD2 HIS 17 HD2 HIS 17 49.391 22.358 -4.173
137 HE1 HIS 17 HE1 HIS 17 46.912 20.124 -1.591
138 H GLY 18 HN GLY 18 49.961 17.947 -7.627
139 HA2 GLY 18 HA1 GLY 18 52.645 18.276 -8.504
140 HA3 GLY 18 HA2 GLY 18 51.452 17.176 -9.243
141 H MET 19 HN MET 19 49.589 18.602 -10.222
142 HA MET 19 HA MET 19 49.902 21.022 -11.335
143 HB2 MET 19 HB2 MET 19 51.827 19.414 -12.703
144 HB3 MET 19 HB1 MET 19 50.500 19.660 -13.847
145 HG2 MET 19 HG2 MET 19 52.180 21.437 -14.084
146 HG3 MET 19 HG1 MET 19 50.634 22.105 -13.512
147 HE1 MET 19 HE1 MET 19 51.672 24.251 -12.800
148 HE2 MET 19 HE2 MET 19 53.294 23.743 -13.329
149 HE3 MET 19 HE3 MET 19 53.065 24.447 -11.710
150 H ILE 20 HN ILE 20 47.806 20.824 -10.662
151 HA ILE 20 HA ILE 20 45.548 20.470 -11.077
152 HB ILE 20 HB ILE 20 46.185 19.599 -13.931
153 HG12 ILE 20 HG12 ILE 20 46.089 22.443 -12.811
154 HG13 ILE 20 HG11 ILE 20 47.479 21.656 -13.589
155 HG21 ILE 20 HG21 ILE 20 43.811 19.554 -12.862
156 HG22 ILE 20 HG22 ILE 20 43.986 20.393 -14.418
157 HG23 ILE 20 HG23 ILE 20 43.893 21.328 -12.907
158 HD11 ILE 20 HD1 ILE 20 44.869 22.546 -14.856
159 HD12 ILE 20 HD2 ILE 20 45.936 21.364 -15.652
160 HD13 ILE 20 HD3 ILE 20 46.528 23.005 -15.299
161 H GLN 21 HN GLN 21 47.782 18.619 -10.514
162 HA GLN 21 HA GLN 21 47.604 16.441 -9.525
163 HB2 GLN 21 HB2 GLN 21 45.057 16.383 -10.214
164 HB3 GLN 21 HB1 GLN 21 45.639 15.541 -11.671
165 HG2 GLN 21 HG2 GLN 21 46.901 13.973 -10.019
166 HG3 GLN 21 HG1 GLN 21 45.855 14.680 -8.764
167 HE21 GLN 21 HE21 GLN 21 43.474 15.024 -10.441
168 HE22 GLN 21 HE22 GLN 21 42.865 13.402 -10.786
169 H ASN 22 HN ASN 22 49.068 17.831 -11.535
170 HA ASN 22 HA ASN 22 50.584 17.472 -13.226
171 HB2 ASN 22 HB2 ASN 22 51.695 16.352 -11.441
172 HB3 ASN 22 HB1 ASN 22 50.775 14.848 -11.735
173 HD21 ASN 22 HD21 ASN 22 52.411 13.427 -12.483
174 HD22 ASN 22 HD22 ASN 22 53.430 13.781 -13.882
175 H HIS 23 HN HIS 23 48.005 17.239 -14.002
176 HA HIS 23 HA HIS 23 46.699 16.391 -15.730
177 HB2 HIS 23 HB2 HIS 23 48.666 17.084 -17.061
178 HB3 HIS 23 HB1 HIS 23 49.395 15.478 -16.817
179 HD1 HIS 23 HD1 HIS 23 45.732 16.297 -17.614
180 HD2 HIS 23 HD2 HIS 23 49.026 14.300 -19.306
181 HE1 HIS 23 HE1 HIS 23 44.918 15.160 -19.751
182 H HIS 24 HN HIS 24 48.538 13.846 -16.945
183 HA HIS 24 HA HIS 24 46.628 11.864 -16.184
184 HB2 HIS 24 HB2 HIS 24 48.284 10.245 -17.067
185 HB3 HIS 24 HB1 HIS 24 48.078 11.638 -18.156
186 HD1 HIS 24 HD1 HIS 24 49.853 13.274 -15.707
187 HD2 HIS 24 HD2 HIS 24 50.978 10.257 -18.410
188 HE1 HIS 24 HE1 HIS 24 52.400 13.336 -15.899
Start of MODEL 11
1 H1 PHE 1 HT1 PHE 1 57.032 1.710 7.443
2 H2 PHE 1 HT2 PHE 1 55.730 2.542 8.152
3 H3 PHE 1 HT3 PHE 1 56.283 2.979 6.606
4 HA PHE 1 HA PHE 1 55.665 0.258 6.609
5 HB2 PHE 1 HB2 PHE 1 54.212 0.986 8.560
6 HB3 PHE 1 HB1 PHE 1 53.356 2.061 7.430
7 HD1 PHE 1 HD1 PHE 1 54.298 -1.514 8.059
8 HD2 PHE 1 HD2 PHE 1 51.688 1.196 5.942
9 HE1 PHE 1 HE1 PHE 1 52.917 -3.441 7.295
10 HE2 PHE 1 HE2 PHE 1 50.306 -0.733 5.180
11 HZ PHE 1 HZ PHE 1 50.933 -3.053 5.837
12 H LEU 2 HN LEU 2 55.254 3.608 5.725
13 HA LEU 2 HA LEU 2 54.645 4.609 3.724
14 HB2 LEU 2 HB2 LEU 2 55.400 2.005 2.358
15 HB3 LEU 2 HB1 LEU 2 55.579 3.671 1.757
16 HG LEU 2 HG LEU 2 57.116 2.388 4.059
17 HD11 LEU 2 HD11 LEU 2 58.069 3.494 1.381
18 HD12 LEU 2 HD12 LEU 2 57.777 1.767 1.704
19 HD13 LEU 2 HD13 LEU 2 59.047 2.638 2.596
20 HD21 LEU 2 HD21 LEU 2 57.008 5.245 3.004
21 HD22 LEU 2 HD22 LEU 2 58.405 4.627 3.918
22 HD23 LEU 2 HD23 LEU 2 56.799 4.681 4.679
23 H GLY 3 HN GLY 3 53.292 4.363 1.660
24 HA2 GLY 3 HA1 GLY 3 51.345 2.301 1.433
25 HA3 GLY 3 HA2 GLY 3 50.659 3.602 2.428
26 H ALA 4 HN ALA 4 53.045 4.441 0.051
27 HA ALA 4 HA ALA 4 51.194 4.869 -2.146
28 HB1 ALA 4 HB1 ALA 4 52.007 7.264 -0.464
29 HB2 ALA 4 HB2 ALA 4 50.356 6.652 -0.725
30 HB3 ALA 4 HB3 ALA 4 51.269 7.359 -2.080
31 H LEU 5 HN LEU 5 54.237 4.884 -0.618
32 HA LEU 5 HA LEU 5 56.391 5.055 -1.442
33 HB2 LEU 5 HB2 LEU 5 55.376 3.353 -3.050
34 HB3 LEU 5 HB1 LEU 5 55.137 4.697 -4.186
35 HG LEU 5 HG LEU 5 57.696 5.177 -3.822
36 HD11 LEU 5 HD11 LEU 5 58.200 3.715 -1.965
37 HD12 LEU 5 HD12 LEU 5 58.961 2.990 -3.394
38 HD13 LEU 5 HD13 LEU 5 57.438 2.322 -2.766
39 HD21 LEU 5 HD21 LEU 5 58.281 3.555 -5.605
40 HD22 LEU 5 HD22 LEU 5 56.711 4.328 -5.930
41 HD23 LEU 5 HD23 LEU 5 56.770 2.667 -5.293
42 H ILE 6 HN ILE 6 56.271 7.328 -0.768
43 HA ILE 6 HA ILE 6 56.479 9.635 -1.145
44 HB ILE 6 HB ILE 6 57.749 9.019 -3.857
45 HG12 ILE 6 HG12 ILE 6 58.889 8.249 -1.132
46 HG13 ILE 6 HG11 ILE 6 58.500 7.146 -2.471
47 HG21 ILE 6 HG21 ILE 6 58.833 10.673 -1.541
48 HG22 ILE 6 HG22 ILE 6 57.614 11.333 -2.656
49 HG23 ILE 6 HG23 ILE 6 59.198 10.814 -3.277
50 HD11 ILE 6 HD1 ILE 6 60.857 7.488 -2.619
51 HD12 ILE 6 HD2 ILE 6 60.701 9.238 -2.338
52 HD13 ILE 6 HD3 ILE 6 60.163 8.533 -3.882
53 H LYS 7 HN LYS 7 56.735 10.644 -4.077
54 HA LYS 7 HA LYS 7 55.186 11.916 -5.272
55 HB2 LYS 7 HB2 LYS 7 54.392 9.527 -6.006
56 HB3 LYS 7 HB1 LYS 7 53.134 9.709 -4.764
57 HG2 LYS 7 HG2 LYS 7 52.000 10.533 -6.646
58 HG3 LYS 7 HG1 LYS 7 52.677 12.040 -5.990
59 HD2 LYS 7 HD2 LYS 7 54.674 11.693 -7.544
60 HD3 LYS 7 HD1 LYS 7 53.765 10.358 -8.290
61 HE2 LYS 7 HE2 LYS 7 52.960 13.293 -8.157
62 HE3 LYS 7 HE1 LYS 7 53.353 12.344 -9.610
63 HZ1 LYS 7 HZ1 LYS 7 51.057 11.866 -7.774
64 HZ2 LYS 7 HZ2 LYS 7 51.439 10.928 -9.139
65 HZ3 LYS 7 HZ3 LYS 7 50.968 12.549 -9.323
66 H GLY 8 HN GLY 8 55.752 11.660 -2.638
67 HA2 GLY 8 HA1 GLY 8 55.207 11.979 -0.505
68 HA3 GLY 8 HA2 GLY 8 54.640 13.571 -1.142
69 H ALA 9 HN ALA 9 53.775 10.334 -0.125
70 HA ALA 9 HA ALA 9 51.790 9.412 0.579
71 HB1 ALA 9 HB1 ALA 9 50.925 12.289 1.027
72 HB2 ALA 9 HB2 ALA 9 51.928 11.349 2.157
73 HB3 ALA 9 HB3 ALA 9 50.260 10.835 1.807
74 H ILE 10 HN ILE 10 52.044 9.621 -2.139
75 HA ILE 10 HA ILE 10 50.742 9.282 -3.996
76 HB ILE 10 HB ILE 10 48.834 8.916 -1.913
77 HG12 ILE 10 HG12 ILE 10 49.348 7.385 -3.824
78 HG13 ILE 10 HG11 ILE 10 47.608 7.593 -3.534
79 HG21 ILE 10 HG21 ILE 10 47.591 10.698 -4.060
80 HG22 ILE 10 HG22 ILE 10 47.836 11.135 -2.356
81 HG23 ILE 10 HG23 ILE 10 46.728 9.818 -2.783
82 HD11 ILE 10 HD1 ILE 10 47.289 8.849 -5.492
83 HD12 ILE 10 HD2 ILE 10 48.580 7.741 -6.012
84 HD13 ILE 10 HD3 ILE 10 48.978 9.409 -5.539
85 H HIS 11 HN HIS 11 49.730 12.110 -2.051
86 HA HIS 11 HA HIS 11 50.523 13.917 -4.183
87 HB2 HIS 11 HB2 HIS 11 48.357 13.136 -5.111
88 HB3 HIS 11 HB1 HIS 11 47.545 13.633 -3.607
89 HD1 HIS 11 HD1 HIS 11 46.692 15.979 -3.534
90 HD2 HIS 11 HD2 HIS 11 49.649 15.454 -6.476
91 HE1 HIS 11 HE1 HIS 11 46.921 18.194 -4.787
92 H GLY 12 HN GLY 12 49.745 13.063 -1.056
93 HA2 GLY 12 HA1 GLY 12 50.753 14.782 0.560
94 HA3 GLY 12 HA2 GLY 12 49.575 15.920 -0.125
95 H GLY 13 HN GLY 13 48.887 12.497 0.341
96 HA2 GLY 13 HA1 GLY 13 47.284 11.463 1.649
97 HA3 GLY 13 HA2 GLY 13 47.791 12.574 2.940
98 H ARG 14 HN ARG 14 45.708 12.290 0.050
99 HA ARG 14 HA ARG 14 43.522 13.602 1.478
100 HB2 ARG 14 HB2 ARG 14 45.203 15.447 0.563
101 HB3 ARG 14 HB1 ARG 14 44.422 15.109 -0.995
102 HG2 ARG 14 HG2 ARG 14 42.969 15.901 1.577
103 HG3 ARG 14 HG1 ARG 14 43.325 16.991 0.218
104 HD2 ARG 14 HD2 ARG 14 42.057 15.207 -1.239
105 HD3 ARG 14 HD1 ARG 14 41.397 14.657 0.322
106 HE ARG 14 HE ARG 14 41.037 17.444 0.275
107 HH11 ARG 14 HH11 ARG 14 38.930 18.178 -0.149
108 HH12 ARG 14 HH12 ARG 14 37.959 17.333 -1.307
109 HH21 ARG 14 HH21 ARG 14 40.305 14.838 -1.847
110 HH22 ARG 14 HH22 ARG 14 38.737 15.441 -2.269
111 H PHE 15 HN PHE 15 44.806 12.952 -1.827
112 HA PHE 15 HA PHE 15 42.373 12.556 -3.146
113 HB2 PHE 15 HB2 PHE 15 44.842 12.425 -4.007
114 HB3 PHE 15 HB1 PHE 15 44.719 10.692 -3.635
115 HD1 PHE 15 HD1 PHE 15 43.835 9.246 -5.292
116 HD2 PHE 15 HD2 PHE 15 42.819 13.442 -5.383
117 HE1 PHE 15 HE1 PHE 15 42.615 8.906 -7.437
118 HE2 PHE 15 HE2 PHE 15 41.597 13.099 -7.526
119 HZ PHE 15 HZ PHE 15 41.559 10.846 -8.589
120 H ILE 16 HN ILE 16 44.037 10.432 -0.874
121 HA ILE 16 HA ILE 16 41.580 8.822 -0.603
122 HB ILE 16 HB ILE 16 42.889 6.650 -0.822
123 HG12 ILE 16 HG12 ILE 16 44.847 8.460 -2.319
124 HG13 ILE 16 HG11 ILE 16 45.166 7.749 -0.725
125 HG21 ILE 16 HG21 ILE 16 42.556 6.507 -3.210
126 HG22 ILE 16 HG22 ILE 16 42.751 8.265 -3.404
127 HG23 ILE 16 HG23 ILE 16 41.315 7.611 -2.585
128 HD11 ILE 16 HD1 ILE 16 44.897 6.355 -3.405
129 HD12 ILE 16 HD2 ILE 16 44.626 5.459 -1.891
130 HD13 ILE 16 HD3 ILE 16 46.200 6.224 -2.203
131 H HIS 17 HN HIS 17 42.174 10.406 1.250
132 HA HIS 17 HA HIS 17 42.966 8.737 3.489
133 HB2 HIS 17 HB2 HIS 17 45.229 9.288 2.639
134 HB3 HIS 17 HB1 HIS 17 44.830 11.021 2.711
135 HD1 HIS 17 HD1 HIS 17 44.936 12.196 4.966
136 HD2 HIS 17 HD2 HIS 17 45.521 8.042 5.224
137 HE1 HIS 17 HE1 HIS 17 45.648 11.674 7.364
138 H GLY 18 HN GLY 18 41.828 11.516 1.923
139 HA2 GLY 18 HA1 GLY 18 40.481 12.438 4.416
140 HA3 GLY 18 HA2 GLY 18 41.425 13.615 3.474
141 H MET 19 HN MET 19 39.331 10.883 2.572
142 HA MET 19 HA MET 19 37.120 12.450 1.568
143 HB2 MET 19 HB2 MET 19 38.834 13.065 -0.015
144 HB3 MET 19 HB1 MET 19 39.108 11.360 -0.343
145 HG2 MET 19 HG2 MET 19 36.869 11.104 -1.269
146 HG3 MET 19 HG1 MET 19 36.432 12.748 -0.752
147 HE1 MET 19 HE1 MET 19 38.872 11.390 -4.370
148 HE2 MET 19 HE2 MET 19 37.519 10.562 -3.562
149 HE3 MET 19 HE3 MET 19 39.090 10.711 -2.740
150 H ILE 20 HN ILE 20 39.067 9.605 0.472
151 HA ILE 20 HA ILE 20 36.644 7.917 0.472
152 HB ILE 20 HB ILE 20 39.585 7.065 0.633
153 HG12 ILE 20 HG12 ILE 20 39.416 8.342 -1.380
154 HG13 ILE 20 HG11 ILE 20 39.259 6.655 -1.900
155 HG21 ILE 20 HG21 ILE 20 38.536 4.962 -0.502
156 HG22 ILE 20 HG22 ILE 20 36.978 5.606 0.066
157 HG23 ILE 20 HG23 ILE 20 38.253 5.205 1.235
158 HD11 ILE 20 HD1 ILE 20 36.692 7.044 -1.728
159 HD12 ILE 20 HD2 ILE 20 37.550 7.817 -3.077
160 HD13 ILE 20 HD3 ILE 20 37.095 8.775 -1.649
161 H GLN 21 HN GLN 21 38.464 9.597 2.548
162 HA GLN 21 HA GLN 21 37.713 7.964 4.926
163 HB2 GLN 21 HB2 GLN 21 40.233 8.210 4.494
164 HB3 GLN 21 HB1 GLN 21 40.008 9.959 4.739
165 HG2 GLN 21 HG2 GLN 21 38.991 9.473 6.980
166 HG3 GLN 21 HG1 GLN 21 39.360 7.748 6.737
167 HE21 GLN 21 HE21 GLN 21 41.555 7.033 6.964
168 HE22 GLN 21 HE22 GLN 21 42.838 8.118 7.506
169 H ASN 22 HN ASN 22 37.724 11.086 3.045
170 HA ASN 22 HA ASN 22 36.085 12.227 5.386
171 HB2 ASN 22 HB2 ASN 22 38.356 13.353 4.728
172 HB3 ASN 22 HB1 ASN 22 37.456 13.976 3.332
173 HD21 ASN 22 HD21 ASN 22 35.836 15.602 3.676
174 HD22 ASN 22 HD22 ASN 22 35.598 16.355 5.256
175 H HIS 23 HN HIS 23 35.129 10.557 3.104
176 HA HIS 23 HA HIS 23 32.866 12.267 2.416
177 HB2 HIS 23 HB2 HIS 23 34.624 13.050 0.790
178 HB3 HIS 23 HB1 HIS 23 34.687 11.395 0.138
179 HD1 HIS 23 HD1 HIS 23 33.052 10.845 -1.673
180 HD2 HIS 23 HD2 HIS 23 31.894 14.223 0.547
181 HE1 HIS 23 HE1 HIS 23 30.933 11.777 -2.754
182 H HIS 24 HN HIS 24 31.181 11.120 1.329
183 HA HIS 24 HA HIS 24 31.067 8.338 2.093
184 HB2 HIS 24 HB2 HIS 24 29.298 10.001 0.258
185 HB3 HIS 24 HB1 HIS 24 28.912 8.357 0.818
186 HD1 HIS 24 HD1 HIS 24 27.150 8.602 2.576
187 HD2 HIS 24 HD2 HIS 24 30.191 11.481 2.969
188 HE1 HIS 24 HE1 HIS 24 26.688 9.909 4.721
Start of MODEL 12
1 H1 PHE 1 HT1 PHE 1 62.471 1.652 2.624
2 H2 PHE 1 HT2 PHE 1 61.251 0.548 3.051
3 H3 PHE 1 HT3 PHE 1 62.470 0.948 4.166
4 HA PHE 1 HA PHE 1 60.340 2.016 4.628
5 HB2 PHE 1 HB2 PHE 1 62.522 3.979 3.834
6 HB3 PHE 1 HB1 PHE 1 61.308 4.163 5.123
7 HD1 PHE 1 HD1 PHE 1 64.448 2.490 4.112
8 HD2 PHE 1 HD2 PHE 1 61.477 2.883 7.219
9 HE1 PHE 1 HE1 PHE 1 65.976 1.351 5.717
10 HE2 PHE 1 HE2 PHE 1 63.005 1.743 8.823
11 HZ PHE 1 HZ PHE 1 65.231 0.927 8.057
12 H LEU 2 HN LEU 2 59.142 4.092 4.098
13 HA LEU 2 HA LEU 2 57.734 5.173 2.603
14 HB2 LEU 2 HB2 LEU 2 59.989 4.984 0.576
15 HB3 LEU 2 HB1 LEU 2 58.755 6.254 0.744
16 HG LEU 2 HG LEU 2 60.989 5.642 2.731
17 HD11 LEU 2 HD11 LEU 2 60.490 8.000 0.858
18 HD12 LEU 2 HD12 LEU 2 61.760 6.766 0.673
19 HD13 LEU 2 HD13 LEU 2 61.806 7.892 2.052
20 HD21 LEU 2 HD21 LEU 2 59.132 6.423 4.021
21 HD22 LEU 2 HD22 LEU 2 58.647 7.591 2.769
22 HD23 LEU 2 HD23 LEU 2 60.118 7.874 3.730
23 H GLY 3 HN GLY 3 56.688 2.919 2.704
24 HA2 GLY 3 HA1 GLY 3 56.952 1.189 0.416
25 HA3 GLY 3 HA2 GLY 3 55.630 1.181 1.599
26 H ALA 4 HN ALA 4 55.127 4.102 1.062
27 HA ALA 4 HA ALA 4 53.182 3.673 -1.073
28 HB1 ALA 4 HB1 ALA 4 54.033 6.187 0.407
29 HB2 ALA 4 HB2 ALA 4 52.674 5.116 0.831
30 HB3 ALA 4 HB3 ALA 4 52.630 6.055 -0.680
31 H LEU 5 HN LEU 5 52.975 5.397 -2.836
32 HA LEU 5 HA LEU 5 55.442 5.291 -4.419
33 HB2 LEU 5 HB2 LEU 5 52.638 6.371 -4.869
34 HB3 LEU 5 HB1 LEU 5 53.941 6.669 -6.042
35 HG LEU 5 HG LEU 5 54.282 4.278 -6.359
36 HD11 LEU 5 HD11 LEU 5 53.930 3.337 -4.195
37 HD12 LEU 5 HD12 LEU 5 52.603 2.690 -5.186
38 HD13 LEU 5 HD13 LEU 5 52.298 4.038 -4.064
39 HD21 LEU 5 HD21 LEU 5 52.391 5.482 -7.563
40 HD22 LEU 5 HD22 LEU 5 51.281 4.808 -6.346
41 HD23 LEU 5 HD23 LEU 5 52.183 3.720 -7.428
42 H ILE 6 HN ILE 6 55.232 6.932 -1.848
43 HA ILE 6 HA ILE 6 55.827 9.070 -1.071
44 HB ILE 6 HB ILE 6 57.512 9.444 -3.597
45 HG12 ILE 6 HG12 ILE 6 57.980 7.338 -1.435
46 HG13 ILE 6 HG11 ILE 6 57.699 7.038 -3.165
47 HG21 ILE 6 HG21 ILE 6 59.055 10.446 -2.090
48 HG22 ILE 6 HG22 ILE 6 58.337 9.643 -0.672
49 HG23 ILE 6 HG23 ILE 6 57.468 10.969 -1.479
50 HD11 ILE 6 HD1 ILE 6 60.066 6.895 -2.892
51 HD12 ILE 6 HD2 ILE 6 60.111 8.336 -1.850
52 HD13 ILE 6 HD3 ILE 6 59.782 8.507 -3.591
53 H LYS 7 HN LYS 7 56.798 11.182 -3.145
54 HA LYS 7 HA LYS 7 55.700 13.148 -3.774
55 HB2 LYS 7 HB2 LYS 7 53.308 11.444 -4.611
56 HB3 LYS 7 HB1 LYS 7 53.819 13.011 -5.281
57 HG2 LYS 7 HG2 LYS 7 55.373 10.396 -5.522
58 HG3 LYS 7 HG1 LYS 7 54.385 11.131 -6.808
59 HD2 LYS 7 HD2 LYS 7 55.853 13.231 -6.527
60 HD3 LYS 7 HD1 LYS 7 56.939 12.213 -5.551
61 HE2 LYS 7 HE2 LYS 7 56.084 11.640 -8.422
62 HE3 LYS 7 HE1 LYS 7 57.667 12.282 -7.920
63 HZ1 LYS 7 HZ1 LYS 7 57.944 10.262 -6.551
64 HZ2 LYS 7 HZ2 LYS 7 57.825 9.922 -8.211
65 HZ3 LYS 7 HZ3 LYS 7 56.498 9.644 -7.186
66 H GLY 8 HN GLY 8 55.682 11.646 -1.523
67 HA2 GLY 8 HA1 GLY 8 54.777 11.110 0.431
68 HA3 GLY 8 HA2 GLY 8 54.544 12.897 0.546
69 H ALA 9 HN ALA 9 53.120 9.797 0.210
70 HA ALA 9 HA ALA 9 50.963 9.028 0.096
71 HB1 ALA 9 HB1 ALA 9 50.855 9.897 2.333
72 HB2 ALA 9 HB2 ALA 9 49.333 10.333 1.518
73 HB3 ALA 9 HB3 ALA 9 50.608 11.556 1.738
74 H ILE 10 HN ILE 10 51.722 10.232 -2.226
75 HA ILE 10 HA ILE 10 51.007 11.525 -4.035
76 HB ILE 10 HB ILE 10 48.424 10.878 -4.535
77 HG12 ILE 10 HG12 ILE 10 49.314 8.820 -2.452
78 HG13 ILE 10 HG11 ILE 10 48.036 10.030 -2.217
79 HG21 ILE 10 HG21 ILE 10 49.198 8.834 -5.600
80 HG22 ILE 10 HG22 ILE 10 50.608 8.745 -4.519
81 HG23 ILE 10 HG23 ILE 10 50.494 10.041 -5.734
82 HD11 ILE 10 HD1 ILE 10 47.001 8.975 -4.413
83 HD12 ILE 10 HD2 ILE 10 46.793 8.141 -2.855
84 HD13 ILE 10 HD3 ILE 10 48.034 7.583 -4.000
85 H HIS 11 HN HIS 11 47.727 11.629 -2.798
86 HA HIS 11 HA HIS 11 47.349 14.339 -3.288
87 HB2 HIS 11 HB2 HIS 11 46.066 12.928 -0.931
88 HB3 HIS 11 HB1 HIS 11 45.384 14.205 -1.971
89 HD1 HIS 11 HD1 HIS 11 46.240 13.008 -4.746
90 HD2 HIS 11 HD2 HIS 11 44.438 10.786 -1.666
91 HE1 HIS 11 HE1 HIS 11 45.083 11.003 -5.829
92 H GLY 12 HN GLY 12 49.399 12.953 -0.905
93 HA2 GLY 12 HA1 GLY 12 49.176 15.244 0.961
94 HA3 GLY 12 HA2 GLY 12 50.301 13.875 1.073
95 H GLY 13 HN GLY 13 50.069 15.252 -2.021
96 HA2 GLY 13 HA1 GLY 13 52.020 17.373 -1.685
97 HA3 GLY 13 HA2 GLY 13 52.745 15.889 -2.331
98 H ARG 14 HN ARG 14 49.718 15.571 -3.386
99 HA ARG 14 HA ARG 14 50.319 17.009 -5.966
100 HB2 ARG 14 HB2 ARG 14 50.031 14.377 -5.695
101 HB3 ARG 14 HB1 ARG 14 48.298 14.762 -5.709
102 HG2 ARG 14 HG2 ARG 14 50.315 15.580 -7.856
103 HG3 ARG 14 HG1 ARG 14 49.150 14.245 -7.989
104 HD2 ARG 14 HD2 ARG 14 47.347 16.088 -7.450
105 HD3 ARG 14 HD1 ARG 14 48.624 17.226 -7.946
106 HE ARG 14 HE ARG 14 47.039 15.701 -9.744
107 HH11 ARG 14 HH11 ARG 14 47.984 14.720 -11.633
108 HH12 ARG 14 HH12 ARG 14 49.529 15.308 -12.150
109 HH21 ARG 14 HH21 ARG 14 50.053 17.213 -9.300
110 HH22 ARG 14 HH22 ARG 14 50.701 16.719 -10.829
111 H PHE 15 HN PHE 15 47.516 16.009 -3.900
112 HA PHE 15 HA PHE 15 45.679 17.767 -5.253
113 HB2 PHE 15 HB2 PHE 15 45.156 15.751 -3.748
114 HB3 PHE 15 HB1 PHE 15 45.446 16.834 -2.367
115 HD1 PHE 15 HD1 PHE 15 43.562 16.775 -5.642
116 HD2 PHE 15 HD2 PHE 15 43.585 18.018 -1.506
117 HE1 PHE 15 HE1 PHE 15 41.248 17.664 -5.895
118 HE2 PHE 15 HE2 PHE 15 41.273 18.908 -1.762
119 HZ PHE 15 HZ PHE 15 40.078 18.661 -3.934
120 H ILE 16 HN ILE 16 46.118 19.886 -5.415
121 HA ILE 16 HA ILE 16 46.952 21.991 -4.779
122 HB ILE 16 HB ILE 16 45.556 23.016 -2.931
123 HG12 ILE 16 HG12 ILE 16 44.201 20.276 -2.939
124 HG13 ILE 16 HG11 ILE 16 45.286 20.835 -1.650
125 HG21 ILE 16 HG21 ILE 16 43.947 21.438 -4.988
126 HG22 ILE 16 HG22 ILE 16 44.885 22.900 -5.377
127 HG23 ILE 16 HG23 ILE 16 43.517 22.998 -4.247
128 HD11 ILE 16 HD1 ILE 16 43.132 21.365 -0.824
129 HD12 ILE 16 HD2 ILE 16 42.547 21.893 -2.417
130 HD13 ILE 16 HD3 ILE 16 43.692 22.908 -1.506
131 H HIS 17 HN HIS 17 48.928 20.516 -4.124
132 HA HIS 17 HA HIS 17 49.838 21.623 -1.517
133 HB2 HIS 17 HB2 HIS 17 48.881 19.316 -1.085
134 HB3 HIS 17 HB1 HIS 17 50.117 18.667 -2.185
135 HD1 HIS 17 HD1 HIS 17 49.559 19.191 1.297
136 HD2 HIS 17 HD2 HIS 17 52.879 19.604 -1.238
137 HE1 HIS 17 HE1 HIS 17 51.640 19.301 2.775
138 H GLY 18 HN GLY 18 50.406 20.025 -4.627
139 HA2 GLY 18 HA1 GLY 18 53.179 19.843 -4.742
140 HA3 GLY 18 HA2 GLY 18 52.173 20.379 -6.112
141 H MET 19 HN MET 19 51.120 22.627 -4.752
142 HA MET 19 HA MET 19 52.523 24.574 -3.686
143 HB2 MET 19 HB2 MET 19 53.838 24.052 -6.309
144 HB3 MET 19 HB1 MET 19 53.633 25.744 -5.839
145 HG2 MET 19 HG2 MET 19 55.196 25.624 -4.137
146 HG3 MET 19 HG1 MET 19 54.785 23.952 -3.707
147 HE1 MET 19 HE1 MET 19 57.394 24.149 -3.308
148 HE2 MET 19 HE2 MET 19 58.357 23.155 -4.427
149 HE3 MET 19 HE3 MET 19 56.865 22.498 -3.712
150 H ILE 20 HN ILE 20 50.059 23.473 -5.061
151 HA ILE 20 HA ILE 20 48.128 24.432 -5.905
152 HB ILE 20 HB ILE 20 49.273 27.217 -5.375
153 HG12 ILE 20 HG12 ILE 20 49.659 26.090 -3.288
154 HG13 ILE 20 HG11 ILE 20 48.166 27.023 -3.077
155 HG21 ILE 20 HG21 ILE 20 46.769 27.602 -4.841
156 HG22 ILE 20 HG22 ILE 20 46.485 26.026 -5.613
157 HG23 ILE 20 HG23 ILE 20 47.220 27.349 -6.539
158 HD11 ILE 20 HD1 ILE 20 46.876 24.895 -3.640
159 HD12 ILE 20 HD2 ILE 20 47.796 24.832 -2.126
160 HD13 ILE 20 HD3 ILE 20 48.424 24.022 -3.578
161 H GLN 21 HN GLN 21 51.314 24.855 -6.767
162 HA GLN 21 HA GLN 21 50.612 25.984 -9.514
163 HB2 GLN 21 HB2 GLN 21 52.326 27.192 -8.055
164 HB3 GLN 21 HB1 GLN 21 53.363 25.757 -8.234
165 HG2 GLN 21 HG2 GLN 21 54.034 27.284 -9.963
166 HG3 GLN 21 HG1 GLN 21 53.077 26.019 -10.766
167 HE21 GLN 21 HE21 GLN 21 53.032 28.103 -12.345
168 HE22 GLN 21 HE22 GLN 21 51.608 29.125 -12.127
169 H ASN 22 HN ASN 22 52.248 23.358 -7.699
170 HA ASN 22 HA ASN 22 52.744 21.927 -10.296
171 HB2 ASN 22 HB2 ASN 22 53.759 21.529 -7.455
172 HB3 ASN 22 HB1 ASN 22 54.029 20.349 -8.759
173 HD21 ASN 22 HD21 ASN 22 55.603 20.830 -10.380
174 HD22 ASN 22 HD22 ASN 22 56.590 22.293 -10.328
175 H HIS 23 HN HIS 23 50.609 22.204 -7.654
176 HA HIS 23 HA HIS 23 49.756 19.573 -7.178
177 HB2 HIS 23 HB2 HIS 23 47.632 20.539 -6.503
178 HB3 HIS 23 HB1 HIS 23 48.941 21.640 -6.016
179 HD1 HIS 23 HD1 HIS 23 45.785 22.262 -6.841
180 HD2 HIS 23 HD2 HIS 23 49.301 23.210 -8.937
181 HE1 HIS 23 HE1 HIS 23 45.220 24.159 -8.455
182 H HIS 24 HN HIS 24 47.160 19.210 -7.844
183 HA HIS 24 HA HIS 24 47.314 18.065 -10.450
184 HB2 HIS 24 HB2 HIS 24 45.722 17.350 -8.676
185 HB3 HIS 24 HB1 HIS 24 44.829 18.876 -8.888
186 HD1 HIS 24 HD1 HIS 24 46.141 16.088 -11.212
187 HD2 HIS 24 HD2 HIS 24 42.717 18.451 -10.597
188 HE1 HIS 24 HE1 HIS 24 44.436 15.441 -13.002
Start of MODEL 13
1 H1 PHE 1 HT1 PHE 1 54.424 1.216 -8.314
2 H2 PHE 1 HT2 PHE 1 55.076 0.235 -7.090
3 H3 PHE 1 HT3 PHE 1 54.874 -0.381 -8.660
4 HA PHE 1 HA PHE 1 57.166 0.156 -8.148
5 HB2 PHE 1 HB2 PHE 1 56.067 0.280 -10.479
6 HB3 PHE 1 HB1 PHE 1 56.037 2.042 -10.251
7 HD1 PHE 1 HD1 PHE 1 58.466 -0.838 -9.808
8 HD2 PHE 1 HD2 PHE 1 57.879 3.237 -11.132
9 HE1 PHE 1 HE1 PHE 1 60.845 -0.721 -10.522
10 HE2 PHE 1 HE2 PHE 1 60.260 3.345 -11.840
11 HZ PHE 1 HZ PHE 1 61.730 1.352 -11.581
12 H LEU 2 HN LEU 2 57.293 3.116 -9.462
13 HA LEU 2 HA LEU 2 57.985 5.162 -8.614
14 HB2 LEU 2 HB2 LEU 2 55.981 4.729 -6.374
15 HB3 LEU 2 HB1 LEU 2 56.473 6.256 -7.145
16 HG LEU 2 HG LEU 2 54.889 3.999 -8.452
17 HD11 LEU 2 HD11 LEU 2 53.699 5.492 -6.779
18 HD12 LEU 2 HD12 LEU 2 53.041 5.563 -8.431
19 HD13 LEU 2 HD13 LEU 2 54.087 6.873 -7.833
20 HD21 LEU 2 HD21 LEU 2 56.051 6.604 -9.525
21 HD22 LEU 2 HD22 LEU 2 54.674 5.792 -10.309
22 HD23 LEU 2 HD23 LEU 2 56.240 4.960 -10.179
23 H GLY 3 HN GLY 3 58.805 2.385 -7.243
24 HA2 GLY 3 HA1 GLY 3 60.583 1.914 -5.814
25 HA3 GLY 3 HA2 GLY 3 60.765 3.647 -5.485
26 H ALA 4 HN ALA 4 58.439 4.428 -4.400
27 HA ALA 4 HA ALA 4 57.434 2.559 -2.415
28 HB1 ALA 4 HB1 ALA 4 59.413 4.688 -1.538
29 HB2 ALA 4 HB2 ALA 4 59.585 2.925 -1.367
30 HB3 ALA 4 HB3 ALA 4 58.341 3.794 -0.437
31 H LEU 5 HN LEU 5 55.891 3.786 -4.082
32 HA LEU 5 HA LEU 5 54.135 5.277 -4.319
33 HB2 LEU 5 HB2 LEU 5 54.460 5.185 -1.302
34 HB3 LEU 5 HB1 LEU 5 53.203 6.184 -2.063
35 HG LEU 5 HG LEU 5 52.238 4.228 -3.159
36 HD11 LEU 5 HD11 LEU 5 53.214 1.924 -2.477
37 HD12 LEU 5 HD12 LEU 5 54.677 2.821 -2.005
38 HD13 LEU 5 HD13 LEU 5 54.113 2.859 -3.693
39 HD21 LEU 5 HD21 LEU 5 52.847 3.510 -0.260
40 HD22 LEU 5 HD22 LEU 5 51.398 3.081 -1.200
41 HD23 LEU 5 HD23 LEU 5 51.689 4.774 -0.735
42 H ILE 6 HN ILE 6 55.565 6.922 -1.490
43 HA ILE 6 HA ILE 6 56.199 9.167 -1.231
44 HB ILE 6 HB ILE 6 57.408 9.117 -4.042
45 HG12 ILE 6 HG12 ILE 6 58.359 7.480 -1.645
46 HG13 ILE 6 HG11 ILE 6 57.870 6.863 -3.240
47 HG21 ILE 6 HG21 ILE 6 57.597 11.028 -2.272
48 HG22 ILE 6 HG22 ILE 6 59.095 10.466 -3.045
49 HG23 ILE 6 HG23 ILE 6 58.686 9.927 -1.399
50 HD11 ILE 6 HD1 ILE 6 60.330 8.503 -2.539
51 HD12 ILE 6 HD2 ILE 6 59.756 8.326 -4.216
52 HD13 ILE 6 HD3 ILE 6 60.257 6.891 -3.289
53 H LYS 7 HN LYS 7 56.660 10.864 -3.822
54 HA LYS 7 HA LYS 7 55.351 12.643 -4.585
55 HB2 LYS 7 HB2 LYS 7 53.183 10.482 -4.734
56 HB3 LYS 7 HB1 LYS 7 53.013 12.125 -5.397
57 HG2 LYS 7 HG2 LYS 7 55.033 11.704 -6.830
58 HG3 LYS 7 HG1 LYS 7 55.057 10.026 -6.239
59 HD2 LYS 7 HD2 LYS 7 52.779 9.665 -7.126
60 HD3 LYS 7 HD1 LYS 7 52.728 11.351 -7.697
61 HE2 LYS 7 HE2 LYS 7 54.713 10.900 -9.139
62 HE3 LYS 7 HE1 LYS 7 54.696 9.203 -8.605
63 HZ1 LYS 7 HZ1 LYS 7 52.144 9.594 -9.379
64 HZ2 LYS 7 HZ2 LYS 7 53.356 8.915 -10.356
65 HZ3 LYS 7 HZ3 LYS 7 52.976 10.567 -10.490
66 H GLY 8 HN GLY 8 55.817 11.612 -2.126
67 HA2 GLY 8 HA1 GLY 8 55.283 11.428 0.025
68 HA3 GLY 8 HA2 GLY 8 54.994 13.202 -0.151
69 H ALA 9 HN ALA 9 53.568 9.987 -0.144
70 HA ALA 9 HA ALA 9 51.459 9.240 0.368
71 HB1 ALA 9 HB1 ALA 9 50.209 10.402 2.036
72 HB2 ALA 9 HB2 ALA 9 50.959 11.960 1.611
73 HB3 ALA 9 HB3 ALA 9 51.926 10.690 2.400
74 H ILE 10 HN ILE 10 51.410 9.607 -2.103
75 HA ILE 10 HA ILE 10 50.377 10.523 -4.001
76 HB ILE 10 HB ILE 10 47.808 10.197 -3.818
77 HG12 ILE 10 HG12 ILE 10 48.636 9.045 -1.109
78 HG13 ILE 10 HG11 ILE 10 47.761 10.578 -1.314
79 HG21 ILE 10 HG21 ILE 10 48.028 7.780 -3.865
80 HG22 ILE 10 HG22 ILE 10 49.553 7.849 -2.951
81 HG23 ILE 10 HG23 ILE 10 49.483 8.467 -4.618
82 HD11 ILE 10 HD1 ILE 10 46.805 7.755 -1.867
83 HD12 ILE 10 HD2 ILE 10 46.042 9.137 -2.690
84 HD13 ILE 10 HD3 ILE 10 46.022 9.034 -0.915
85 H HIS 11 HN HIS 11 51.192 12.702 -3.728
86 HA HIS 11 HA HIS 11 50.918 15.008 -3.507
87 HB2 HIS 11 HB2 HIS 11 49.575 14.398 -5.545
88 HB3 HIS 11 HB1 HIS 11 48.123 14.359 -4.516
89 HD1 HIS 11 HD1 HIS 11 46.887 16.438 -5.238
90 HD2 HIS 11 HD2 HIS 11 50.962 17.169 -4.498
91 HE1 HIS 11 HE1 HIS 11 47.237 18.967 -5.327
92 H GLY 12 HN GLY 12 49.979 13.247 -1.190
93 HA2 GLY 12 HA1 GLY 12 49.270 13.816 0.955
94 HA3 GLY 12 HA2 GLY 12 48.892 15.453 0.387
95 H GLY 13 HN GLY 13 47.684 12.354 -0.891
96 HA2 GLY 13 HA1 GLY 13 45.540 11.479 -0.936
97 HA3 GLY 13 HA2 GLY 13 45.162 12.469 0.488
98 H ARG 14 HN ARG 14 45.942 13.026 -2.969
99 HA ARG 14 HA ARG 14 43.336 14.429 -3.308
100 HB2 ARG 14 HB2 ARG 14 46.061 15.725 -3.733
101 HB3 ARG 14 HB1 ARG 14 44.571 16.340 -4.475
102 HG2 ARG 14 HG2 ARG 14 45.009 15.989 -1.471
103 HG3 ARG 14 HG1 ARG 14 45.161 17.523 -2.348
104 HD2 ARG 14 HD2 ARG 14 42.680 16.903 -3.178
105 HD3 ARG 14 HD1 ARG 14 42.672 15.959 -1.668
106 HE ARG 14 HE ARG 14 43.641 18.675 -1.264
107 HH11 ARG 14 HH11 ARG 14 42.185 17.725 0.931
108 HH12 ARG 14 HH12 ARG 14 40.561 18.288 0.706
109 HH21 ARG 14 HH21 ARG 14 40.975 18.948 -2.672
110 HH22 ARG 14 HH22 ARG 14 39.878 18.980 -1.332
111 H PHE 15 HN PHE 15 46.434 13.371 -4.696
112 HA PHE 15 HA PHE 15 45.896 13.455 -7.426
113 HB2 PHE 15 HB2 PHE 15 48.004 12.604 -6.298
114 HB3 PHE 15 HB1 PHE 15 47.161 11.059 -6.039
115 HD1 PHE 15 HD1 PHE 15 46.768 9.519 -7.864
116 HD2 PHE 15 HD2 PHE 15 48.428 13.430 -8.623
117 HE1 PHE 15 HE1 PHE 15 47.327 8.830 -10.193
118 HE2 PHE 15 HE2 PHE 15 48.986 12.742 -10.950
119 HZ PHE 15 HZ PHE 15 48.517 10.414 -11.705
120 H ILE 16 HN ILE 16 44.784 11.114 -5.031
121 HA ILE 16 HA ILE 16 42.438 10.495 -6.594
122 HB ILE 16 HB ILE 16 43.929 9.058 -7.868
123 HG12 ILE 16 HG12 ILE 16 42.889 6.861 -7.497
124 HG13 ILE 16 HG11 ILE 16 42.360 7.349 -5.876
125 HG21 ILE 16 HG21 ILE 16 45.486 7.538 -6.968
126 HG22 ILE 16 HG22 ILE 16 44.692 7.491 -5.379
127 HG23 ILE 16 HG23 ILE 16 45.629 8.923 -5.864
128 HD11 ILE 16 HD1 ILE 16 41.549 8.982 -8.304
129 HD12 ILE 16 HD2 ILE 16 40.750 8.863 -6.717
130 HD13 ILE 16 HD3 ILE 16 40.652 7.509 -7.864
131 H HIS 17 HN HIS 17 41.772 11.422 -4.620
132 HA HIS 17 HA HIS 17 41.000 9.420 -2.672
133 HB2 HIS 17 HB2 HIS 17 43.428 9.923 -2.022
134 HB3 HIS 17 HB1 HIS 17 42.883 11.572 -1.639
135 HD1 HIS 17 HD1 HIS 17 41.862 11.955 0.623
136 HD2 HIS 17 HD2 HIS 17 41.901 7.887 -0.444
137 HE1 HIS 17 HE1 HIS 17 41.083 10.627 2.661
138 H GLY 18 HN GLY 18 41.723 12.937 -3.069
139 HA2 GLY 18 HA1 GLY 18 39.354 13.765 -1.612
140 HA3 GLY 18 HA2 GLY 18 40.302 14.763 -2.749
141 H MET 19 HN MET 19 40.185 13.966 -5.036
142 HA MET 19 HA MET 19 38.304 12.492 -6.201
143 HB2 MET 19 HB2 MET 19 36.870 14.756 -5.035
144 HB3 MET 19 HB1 MET 19 36.663 14.723 -6.798
145 HG2 MET 19 HG2 MET 19 35.782 12.474 -6.727
146 HG3 MET 19 HG1 MET 19 36.202 12.300 -5.007
147 HE1 MET 19 HE1 MET 19 33.599 11.453 -5.782
148 HE2 MET 19 HE2 MET 19 32.360 12.339 -4.861
149 HE3 MET 19 HE3 MET 19 33.816 11.730 -4.037
150 H ILE 20 HN ILE 20 40.176 12.326 -7.367
151 HA ILE 20 HA ILE 20 41.496 12.865 -9.206
152 HB ILE 20 HB ILE 20 39.428 14.939 -10.070
153 HG12 ILE 20 HG12 ILE 20 39.278 11.903 -10.386
154 HG13 ILE 20 HG11 ILE 20 38.146 12.924 -9.472
155 HG21 ILE 20 HG21 ILE 20 40.221 14.481 -12.271
156 HG22 ILE 20 HG22 ILE 20 40.989 12.954 -11.775
157 HG23 ILE 20 HG23 ILE 20 41.694 14.506 -11.280
158 HD11 ILE 20 HD1 ILE 20 38.566 12.803 -12.477
159 HD12 ILE 20 HD2 ILE 20 37.757 14.187 -11.700
160 HD13 ILE 20 HD3 ILE 20 37.065 12.553 -11.557
161 H GLN 21 HN GLN 21 41.077 14.249 -6.616
162 HA GLN 21 HA GLN 21 42.501 15.782 -5.470
163 HB2 GLN 21 HB2 GLN 21 42.927 17.304 -8.088
164 HB3 GLN 21 HB1 GLN 21 43.721 17.594 -6.538
165 HG2 GLN 21 HG2 GLN 21 45.084 15.691 -6.686
166 HG3 GLN 21 HG1 GLN 21 43.993 14.849 -7.799
167 HE21 GLN 21 HE21 GLN 21 45.344 18.211 -7.996
168 HE22 GLN 21 HE22 GLN 21 46.148 17.943 -9.547
169 H ASN 22 HN ASN 22 39.799 15.488 -6.000
170 HA ASN 22 HA ASN 22 37.785 16.606 -5.998
171 HB2 ASN 22 HB2 ASN 22 38.439 16.838 -3.726
172 HB3 ASN 22 HB1 ASN 22 39.446 18.269 -4.097
173 HD21 ASN 22 HD21 ASN 22 38.154 19.644 -2.642
174 HD22 ASN 22 HD22 ASN 22 36.528 20.152 -3.108
175 H HIS 23 HN HIS 23 38.863 17.014 -8.270
176 HA HIS 23 HA HIS 23 38.949 18.476 -10.084
177 HB2 HIS 23 HB2 HIS 23 36.539 18.700 -9.389
178 HB3 HIS 23 HB1 HIS 23 36.995 20.144 -8.455
179 HD1 HIS 23 HD1 HIS 23 36.664 22.269 -9.705
180 HD2 HIS 23 HD2 HIS 23 37.683 19.091 -12.264
181 HE1 HIS 23 HE1 HIS 23 36.663 23.182 -12.091
182 H HIS 24 HN HIS 24 41.082 19.154 -9.946
183 HA HIS 24 HA HIS 24 41.955 21.253 -8.174
184 HB2 HIS 24 HB2 HIS 24 43.482 19.610 -9.242
185 HB3 HIS 24 HB1 HIS 24 43.147 20.351 -10.826
186 HD1 HIS 24 HD1 HIS 24 44.675 21.163 -7.417
187 HD2 HIS 24 HD2 HIS 24 44.526 22.753 -11.308
188 HE1 HIS 24 HE1 HIS 24 46.370 23.071 -7.526
Start of MODEL 14
1 H1 PHE 1 HT1 PHE 1 57.542 6.394 8.049
2 H2 PHE 1 HT2 PHE 1 56.011 6.059 8.704
3 H3 PHE 1 HT3 PHE 1 57.055 7.148 9.486
4 HA PHE 1 HA PHE 1 55.076 7.805 7.802
5 HB2 PHE 1 HB2 PHE 1 57.640 9.310 8.460
6 HB3 PHE 1 HB1 PHE 1 56.153 10.047 7.817
7 HD1 PHE 1 HD1 PHE 1 54.091 10.138 9.180
8 HD2 PHE 1 HD2 PHE 1 57.761 8.513 10.764
9 HE1 PHE 1 HE1 PHE 1 53.158 10.278 11.486
10 HE2 PHE 1 HE2 PHE 1 56.828 8.653 13.070
11 HZ PHE 1 HZ PHE 1 54.509 9.492 13.426
12 H LEU 2 HN LEU 2 54.820 8.452 5.696
13 HA LEU 2 HA LEU 2 55.221 8.366 3.411
14 HB2 LEU 2 HB2 LEU 2 58.129 8.950 4.067
15 HB3 LEU 2 HB1 LEU 2 57.196 9.443 2.635
16 HG LEU 2 HG LEU 2 56.734 10.406 5.495
17 HD11 LEU 2 HD11 LEU 2 58.759 11.350 4.453
18 HD12 LEU 2 HD12 LEU 2 57.488 12.591 4.571
19 HD13 LEU 2 HD13 LEU 2 57.821 11.802 3.009
20 HD21 LEU 2 HD21 LEU 2 55.290 10.922 2.861
21 HD22 LEU 2 HD22 LEU 2 55.195 12.062 4.226
22 HD23 LEU 2 HD23 LEU 2 54.597 10.398 4.416
23 H GLY 3 HN GLY 3 57.433 7.614 1.890
24 HA2 GLY 3 HA1 GLY 3 58.599 5.751 1.142
25 HA3 GLY 3 HA2 GLY 3 58.484 5.061 2.773
26 H ALA 4 HN ALA 4 56.752 5.545 -0.295
27 HA ALA 4 HA ALA 4 55.696 2.856 -0.221
28 HB1 ALA 4 HB1 ALA 4 54.168 3.706 1.442
29 HB2 ALA 4 HB2 ALA 4 53.277 3.509 -0.086
30 HB3 ALA 4 HB3 ALA 4 53.796 5.129 0.441
31 H LEU 5 HN LEU 5 55.407 6.190 -1.422
32 HA LEU 5 HA LEU 5 55.719 5.308 -4.160
33 HB2 LEU 5 HB2 LEU 5 53.225 4.785 -3.497
34 HB3 LEU 5 HB1 LEU 5 53.001 6.542 -3.610
35 HG LEU 5 HG LEU 5 54.227 6.242 -5.973
36 HD11 LEU 5 HD11 LEU 5 53.042 3.475 -5.457
37 HD12 LEU 5 HD12 LEU 5 54.761 3.849 -5.711
38 HD13 LEU 5 HD13 LEU 5 53.600 4.071 -7.037
39 HD21 LEU 5 HD21 LEU 5 51.948 7.072 -5.778
40 HD22 LEU 5 HD22 LEU 5 51.340 5.443 -5.394
41 HD23 LEU 5 HD23 LEU 5 51.969 5.798 -7.021
42 H ILE 6 HN ILE 6 56.111 7.419 -1.755
43 HA ILE 6 HA ILE 6 56.569 9.718 -1.582
44 HB ILE 6 HB ILE 6 57.450 9.695 -4.512
45 HG12 ILE 6 HG12 ILE 6 58.793 8.163 -2.236
46 HG13 ILE 6 HG11 ILE 6 58.100 7.465 -3.718
47 HG21 ILE 6 HG21 ILE 6 58.996 10.594 -2.047
48 HG22 ILE 6 HG22 ILE 6 57.741 11.627 -2.768
49 HG23 ILE 6 HG23 ILE 6 59.158 11.148 -3.731
50 HD11 ILE 6 HD1 ILE 6 60.548 9.250 -3.453
51 HD12 ILE 6 HD2 ILE 6 59.738 8.976 -5.015
52 HD13 ILE 6 HD3 ILE 6 60.450 7.607 -4.128
53 H LYS 7 HN LYS 7 56.634 11.423 -4.183
54 HA LYS 7 HA LYS 7 55.131 13.098 -4.810
55 HB2 LYS 7 HB2 LYS 7 52.981 10.923 -4.650
56 HB3 LYS 7 HB1 LYS 7 52.877 12.454 -5.552
57 HG2 LYS 7 HG2 LYS 7 54.652 11.750 -7.065
58 HG3 LYS 7 HG1 LYS 7 54.943 10.281 -6.104
59 HD2 LYS 7 HD2 LYS 7 52.690 9.454 -6.627
60 HD3 LYS 7 HD1 LYS 7 52.324 10.951 -7.519
61 HE2 LYS 7 HE2 LYS 7 52.965 9.158 -9.087
62 HE3 LYS 7 HE1 LYS 7 54.187 10.453 -9.093
63 HZ1 LYS 7 HZ1 LYS 7 54.338 7.839 -7.681
64 HZ2 LYS 7 HZ2 LYS 7 55.442 9.107 -7.440
65 HZ3 LYS 7 HZ3 LYS 7 55.308 8.372 -8.965
66 H GLY 8 HN GLY 8 55.922 12.114 -2.416
67 HA2 GLY 8 HA1 GLY 8 55.633 11.908 -0.221
68 HA3 GLY 8 HA2 GLY 8 55.192 13.655 -0.362
69 H ALA 9 HN ALA 9 54.029 10.339 -0.196
70 HA ALA 9 HA ALA 9 52.042 9.440 0.524
71 HB1 ALA 9 HB1 ALA 9 52.606 10.934 2.499
72 HB2 ALA 9 HB2 ALA 9 50.884 10.524 2.311
73 HB3 ALA 9 HB3 ALA 9 51.477 12.126 1.814
74 H ILE 10 HN ILE 10 51.852 10.000 -1.998
75 HA ILE 10 HA ILE 10 50.561 10.873 -3.745
76 HB ILE 10 HB ILE 10 48.092 10.177 -3.461
77 HG12 ILE 10 HG12 ILE 10 49.193 8.991 -0.865
78 HG13 ILE 10 HG11 ILE 10 48.112 10.400 -0.936
79 HG21 ILE 10 HG21 ILE 10 49.948 8.740 -4.432
80 HG22 ILE 10 HG22 ILE 10 48.628 7.821 -3.679
81 HG23 ILE 10 HG23 ILE 10 50.167 8.037 -2.811
82 HD11 ILE 10 HD1 ILE 10 46.540 8.820 -2.334
83 HD12 ILE 10 HD2 ILE 10 46.618 8.611 -0.571
84 HD13 ILE 10 HD3 ILE 10 47.520 7.509 -1.635
85 H HIS 11 HN HIS 11 51.150 13.123 -3.219
86 HA HIS 11 HA HIS 11 50.573 15.343 -2.829
87 HB2 HIS 11 HB2 HIS 11 47.877 14.305 -3.788
88 HB3 HIS 11 HB1 HIS 11 48.380 16.012 -3.750
89 HD1 HIS 11 HD1 HIS 11 50.266 12.868 -4.923
90 HD2 HIS 11 HD2 HIS 11 48.937 16.572 -6.404
91 HE1 HIS 11 HE1 HIS 11 51.183 13.113 -7.295
92 H GLY 12 HN GLY 12 50.058 13.272 -0.649
93 HA2 GLY 12 HA1 GLY 12 49.283 13.346 1.530
94 HA3 GLY 12 HA2 GLY 12 49.054 15.092 1.308
95 H GLY 13 HN GLY 13 47.574 12.037 0.126
96 HA2 GLY 13 HA1 GLY 13 45.353 11.429 -0.034
97 HA3 GLY 13 HA2 GLY 13 45.063 12.467 1.377
98 H ARG 14 HN ARG 14 45.593 12.596 -2.161
99 HA ARG 14 HA ARG 14 43.256 14.328 -2.473
100 HB2 ARG 14 HB2 ARG 14 45.476 15.723 -1.774
101 HB3 ARG 14 HB1 ARG 14 45.779 15.621 -3.518
102 HG2 ARG 14 HG2 ARG 14 43.270 16.731 -2.171
103 HG3 ARG 14 HG1 ARG 14 44.532 17.676 -2.993
104 HD2 ARG 14 HD2 ARG 14 42.499 15.775 -4.202
105 HD3 ARG 14 HD1 ARG 14 42.823 17.471 -4.623
106 HE ARG 14 HE ARG 14 44.192 15.189 -5.735
107 HH11 ARG 14 HH11 ARG 14 46.201 15.495 -6.755
108 HH12 ARG 14 HH12 ARG 14 46.883 17.086 -6.808
109 HH21 ARG 14 HH21 ARG 14 44.394 18.505 -4.853
110 HH22 ARG 14 HH22 ARG 14 45.861 18.790 -5.729
111 H PHE 15 HN PHE 15 46.192 12.820 -3.788
112 HA PHE 15 HA PHE 15 45.879 13.032 -6.520
113 HB2 PHE 15 HB2 PHE 15 47.615 11.671 -5.295
114 HB3 PHE 15 HB1 PHE 15 46.399 10.385 -5.114
115 HD1 PHE 15 HD1 PHE 15 48.528 12.249 -7.505
116 HD2 PHE 15 HD2 PHE 15 45.600 9.111 -7.050
117 HE1 PHE 15 HE1 PHE 15 49.038 11.438 -9.805
118 HE2 PHE 15 HE2 PHE 15 46.110 8.302 -9.350
119 HZ PHE 15 HZ PHE 15 47.873 9.427 -10.704
120 H ILE 16 HN ILE 16 44.104 10.744 -4.403
121 HA ILE 16 HA ILE 16 42.441 9.844 -6.676
122 HB ILE 16 HB ILE 16 42.064 9.222 -3.714
123 HG12 ILE 16 HG12 ILE 16 43.800 7.848 -5.817
124 HG13 ILE 16 HG11 ILE 16 44.378 8.693 -4.363
125 HG21 ILE 16 HG21 ILE 16 40.817 7.333 -4.488
126 HG22 ILE 16 HG22 ILE 16 41.401 7.531 -6.159
127 HG23 ILE 16 HG23 ILE 16 40.244 8.696 -5.475
128 HD11 ILE 16 HD1 ILE 16 42.820 6.090 -4.537
129 HD12 ILE 16 HD2 ILE 16 42.914 7.028 -3.026
130 HD13 ILE 16 HD3 ILE 16 44.396 6.388 -3.771
131 H HIS 17 HN HIS 17 41.356 10.838 -3.396
132 HA HIS 17 HA HIS 17 39.938 13.172 -4.344
133 HB2 HIS 17 HB2 HIS 17 38.535 11.434 -5.442
134 HB3 HIS 17 HB1 HIS 17 38.222 10.707 -3.849
135 HD1 HIS 17 HD1 HIS 17 36.463 11.782 -2.362
136 HD2 HIS 17 HD2 HIS 17 37.387 14.089 -5.756
137 HE1 HIS 17 HE1 HIS 17 34.794 13.713 -2.448
138 H GLY 18 HN GLY 18 41.661 12.772 -2.274
139 HA2 GLY 18 HA1 GLY 18 41.296 13.961 -0.107
140 HA3 GLY 18 HA2 GLY 18 39.886 12.910 0.156
141 H MET 19 HN MET 19 40.917 10.580 -0.879
142 HA MET 19 HA MET 19 43.138 9.409 -0.457
143 HB2 MET 19 HB2 MET 19 43.954 10.343 1.542
144 HB3 MET 19 HB1 MET 19 42.397 10.189 2.354
145 HG2 MET 19 HG2 MET 19 42.654 7.807 2.591
146 HG3 MET 19 HG1 MET 19 44.022 7.784 1.454
147 HE1 MET 19 HE1 MET 19 46.120 9.425 1.864
148 HE2 MET 19 HE2 MET 19 46.359 7.692 2.187
149 HE3 MET 19 HE3 MET 19 47.035 8.905 3.299
150 H ILE 20 HN ILE 20 42.107 8.067 -1.763
151 HA ILE 20 HA ILE 20 40.826 6.195 -2.293
152 HB ILE 20 HB ILE 20 40.570 5.572 0.691
153 HG12 ILE 20 HG12 ILE 20 42.936 4.983 -1.151
154 HG13 ILE 20 HG11 ILE 20 42.949 6.077 0.248
155 HG21 ILE 20 HG21 ILE 20 40.982 3.664 -1.649
156 HG22 ILE 20 HG22 ILE 20 39.366 4.246 -1.198
157 HG23 ILE 20 HG23 ILE 20 40.327 3.311 -0.033
158 HD11 ILE 20 HD1 ILE 20 42.664 3.055 0.220
159 HD12 ILE 20 HD2 ILE 20 42.175 4.022 1.634
160 HD13 ILE 20 HD3 ILE 20 43.866 4.047 1.079
161 H GLN 21 HN GLN 21 40.045 8.871 -1.494
162 HA GLN 21 HA GLN 21 38.017 10.048 -1.590
163 HB2 GLN 21 HB2 GLN 21 36.457 7.542 -0.820
164 HB3 GLN 21 HB1 GLN 21 35.846 9.048 -1.527
165 HG2 GLN 21 HG2 GLN 21 37.432 8.486 -3.545
166 HG3 GLN 21 HG1 GLN 21 37.437 6.839 -2.875
167 HE21 GLN 21 HE21 GLN 21 35.344 9.381 -4.292
168 HE22 GLN 21 HE22 GLN 21 34.005 8.289 -4.658
169 H ASN 22 HN ASN 22 39.900 9.542 0.384
170 HA ASN 22 HA ASN 22 40.286 9.647 2.643
171 HB2 ASN 22 HB2 ASN 22 39.748 11.906 2.247
172 HB3 ASN 22 HB1 ASN 22 37.989 11.579 2.290
173 HD21 ASN 22 HD21 ASN 22 38.297 13.428 4.058
174 HD22 ASN 22 HD22 ASN 22 38.577 12.846 5.702
175 H HIS 23 HN HIS 23 39.552 7.389 2.393
176 HA HIS 23 HA HIS 23 38.403 5.573 3.309
177 HB2 HIS 23 HB2 HIS 23 38.238 7.545 5.622
178 HB3 HIS 23 HB1 HIS 23 37.830 5.817 5.749
179 HD1 HIS 23 HD1 HIS 23 39.865 4.144 4.827
180 HD2 HIS 23 HD2 HIS 23 40.916 8.018 6.086
181 HE1 HIS 23 HE1 HIS 23 42.381 4.141 5.279
182 H HIS 24 HN HIS 24 36.454 7.745 5.272
183 HA HIS 24 HA HIS 24 33.999 6.551 4.411
184 HB2 HIS 24 HB2 HIS 24 34.335 7.757 6.574
185 HB3 HIS 24 HB1 HIS 24 34.410 9.290 5.673
186 HD1 HIS 24 HD1 HIS 24 32.081 7.061 3.998
187 HD2 HIS 24 HD2 HIS 24 31.871 9.622 7.329
188 HE1 HIS 24 HE1 HIS 24 29.609 7.532 4.442
Start of MODEL 15
1 H1 PHE 1 HT1 PHE 1 55.023 11.127 8.926
2 H2 PHE 1 HT2 PHE 1 54.412 11.301 7.349
3 H3 PHE 1 HT3 PHE 1 55.998 11.794 7.710
4 HA PHE 1 HA PHE 1 56.839 9.768 7.589
5 HB2 PHE 1 HB2 PHE 1 55.609 9.030 9.598
6 HB3 PHE 1 HB1 PHE 1 54.163 8.726 8.605
7 HD1 PHE 1 HD1 PHE 1 57.839 7.877 8.728
8 HD2 PHE 1 HD2 PHE 1 53.857 6.553 7.712
9 HE1 PHE 1 HE1 PHE 1 58.733 5.625 8.157
10 HE2 PHE 1 HE2 PHE 1 54.753 4.299 7.143
11 HZ PHE 1 HZ PHE 1 57.182 3.820 7.417
12 H LEU 2 HN LEU 2 56.863 8.095 5.999
13 HA LEU 2 HA LEU 2 55.416 8.854 3.590
14 HB2 LEU 2 HB2 LEU 2 57.321 6.607 4.326
15 HB3 LEU 2 HB1 LEU 2 56.521 6.654 2.738
16 HG LEU 2 HG LEU 2 57.490 8.842 2.256
17 HD11 LEU 2 HD11 LEU 2 58.457 8.657 5.135
18 HD12 LEU 2 HD12 LEU 2 57.515 9.957 4.363
19 HD13 LEU 2 HD13 LEU 2 59.231 9.740 3.952
20 HD21 LEU 2 HD21 LEU 2 59.555 6.913 3.411
21 HD22 LEU 2 HD22 LEU 2 59.899 8.216 2.249
22 HD23 LEU 2 HD23 LEU 2 58.867 6.846 1.771
23 H GLY 3 HN GLY 3 54.622 6.688 2.287
24 HA2 GLY 3 HA1 GLY 3 53.171 4.716 3.701
25 HA3 GLY 3 HA2 GLY 3 52.081 6.097 3.468
26 H ALA 4 HN ALA 4 54.254 6.213 0.980
27 HA ALA 4 HA ALA 4 53.162 4.133 -0.739
28 HB1 ALA 4 HB1 ALA 4 51.904 5.538 -2.258
29 HB2 ALA 4 HB2 ALA 4 52.298 6.989 -1.305
30 HB3 ALA 4 HB3 ALA 4 51.239 5.734 -0.619
31 H LEU 5 HN LEU 5 53.561 5.208 -3.219
32 HA LEU 5 HA LEU 5 56.479 5.360 -3.282
33 HB2 LEU 5 HB2 LEU 5 54.624 5.913 -5.622
34 HB3 LEU 5 HB1 LEU 5 56.261 5.214 -5.638
35 HG LEU 5 HG LEU 5 53.727 3.914 -4.543
36 HD11 LEU 5 HD11 LEU 5 54.198 2.252 -6.340
37 HD12 LEU 5 HD12 LEU 5 55.581 3.237 -6.872
38 HD13 LEU 5 HD13 LEU 5 53.926 3.881 -7.000
39 HD21 LEU 5 HD21 LEU 5 55.502 3.219 -3.088
40 HD22 LEU 5 HD22 LEU 5 56.660 3.091 -4.434
41 HD23 LEU 5 HD23 LEU 5 55.336 1.911 -4.280
42 H ILE 6 HN ILE 6 56.324 7.364 -1.792
43 HA ILE 6 HA ILE 6 56.469 9.697 -1.512
44 HB ILE 6 HB ILE 6 57.502 9.902 -4.384
45 HG12 ILE 6 HG12 ILE 6 58.898 8.456 -2.084
46 HG13 ILE 6 HG11 ILE 6 58.387 7.742 -3.632
47 HG21 ILE 6 HG21 ILE 6 57.449 11.785 -2.572
48 HG22 ILE 6 HG22 ILE 6 58.972 11.520 -3.452
49 HG23 ILE 6 HG23 ILE 6 58.776 10.887 -1.800
50 HD11 ILE 6 HD1 ILE 6 60.572 9.800 -3.143
51 HD12 ILE 6 HD2 ILE 6 59.895 9.505 -4.764
52 HD13 ILE 6 HD3 ILE 6 60.719 8.192 -3.889
53 H LYS 7 HN LYS 7 56.456 11.491 -4.055
54 HA LYS 7 HA LYS 7 54.791 12.985 -4.719
55 HB2 LYS 7 HB2 LYS 7 52.873 10.604 -4.720
56 HB3 LYS 7 HB1 LYS 7 52.711 12.113 -5.649
57 HG2 LYS 7 HG2 LYS 7 54.648 11.546 -7.015
58 HG3 LYS 7 HG1 LYS 7 54.984 10.113 -6.014
59 HD2 LYS 7 HD2 LYS 7 52.869 9.087 -6.695
60 HD3 LYS 7 HD1 LYS 7 52.421 10.548 -7.609
61 HE2 LYS 7 HE2 LYS 7 53.365 8.715 -9.057
62 HE3 LYS 7 HE1 LYS 7 54.297 10.231 -9.137
63 HZ1 LYS 7 HZ1 LYS 7 55.555 8.037 -8.808
64 HZ2 LYS 7 HZ2 LYS 7 55.004 8.107 -7.201
65 HZ3 LYS 7 HZ3 LYS 7 55.978 9.352 -7.824
66 H GLY 8 HN GLY 8 55.559 12.009 -2.314
67 HA2 GLY 8 HA1 GLY 8 55.181 11.695 -0.143
68 HA3 GLY 8 HA2 GLY 8 54.542 13.382 -0.257
69 H ALA 9 HN ALA 9 53.758 9.951 -0.356
70 HA ALA 9 HA ALA 9 51.865 8.787 0.216
71 HB1 ALA 9 HB1 ALA 9 52.066 10.320 2.264
72 HB2 ALA 9 HB2 ALA 9 50.461 9.623 1.940
73 HB3 ALA 9 HB3 ALA 9 50.800 11.316 1.510
74 H ILE 10 HN ILE 10 51.605 8.949 -2.164
75 HA ILE 10 HA ILE 10 50.199 9.127 -3.977
76 HB ILE 10 HB ILE 10 48.248 9.659 -1.719
77 HG12 ILE 10 HG12 ILE 10 47.070 7.766 -2.786
78 HG13 ILE 10 HG11 ILE 10 48.247 7.783 -4.120
79 HG21 ILE 10 HG21 ILE 10 46.408 9.916 -3.519
80 HG22 ILE 10 HG22 ILE 10 47.724 10.406 -4.612
81 HG23 ILE 10 HG23 ILE 10 47.389 11.351 -3.139
82 HD11 ILE 10 HD1 ILE 10 48.699 6.077 -2.266
83 HD12 ILE 10 HD2 ILE 10 49.060 7.458 -1.204
84 HD13 ILE 10 HD3 ILE 10 50.052 7.166 -2.652
85 H HIS 11 HN HIS 11 49.182 11.944 -1.987
86 HA HIS 11 HA HIS 11 50.642 13.780 -3.760
87 HB2 HIS 11 HB2 HIS 11 48.460 13.244 -4.981
88 HB3 HIS 11 HB1 HIS 11 47.607 14.001 -3.616
89 HD1 HIS 11 HD1 HIS 11 47.731 16.564 -3.359
90 HD2 HIS 11 HD2 HIS 11 49.920 15.070 -6.624
91 HE1 HIS 11 HE1 HIS 11 48.454 18.566 -4.773
92 H GLY 12 HN GLY 12 49.635 12.732 -0.896
93 HA2 GLY 12 HA1 GLY 12 50.219 13.868 1.141
94 HA3 GLY 12 HA2 GLY 12 49.919 15.437 0.367
95 H GLY 13 HN GLY 13 47.911 12.474 0.449
96 HA2 GLY 13 HA1 GLY 13 45.680 12.235 1.043
97 HA3 GLY 13 HA2 GLY 13 46.146 13.144 2.496
98 H ARG 14 HN ARG 14 45.280 13.609 -0.948
99 HA ARG 14 HA ARG 14 43.292 15.617 -0.198
100 HB2 ARG 14 HB2 ARG 14 45.298 17.023 -0.084
101 HB3 ARG 14 HB1 ARG 14 45.813 16.465 -1.690
102 HG2 ARG 14 HG2 ARG 14 44.720 18.724 -1.734
103 HG3 ARG 14 HG1 ARG 14 43.872 17.529 -2.738
104 HD2 ARG 14 HD2 ARG 14 42.066 17.356 -1.225
105 HD3 ARG 14 HD1 ARG 14 43.027 17.964 0.147
106 HE ARG 14 HE ARG 14 42.338 20.121 -0.481
107 HH11 ARG 14 HH11 ARG 14 41.688 17.886 -2.990
108 HH12 ARG 14 HH12 ARG 14 41.327 19.098 -4.174
109 HH21 ARG 14 HH21 ARG 14 42.133 21.749 -2.089
110 HH22 ARG 14 HH22 ARG 14 41.580 21.286 -3.663
111 H PHE 15 HN PHE 15 44.920 13.498 -2.373
112 HA PHE 15 HA PHE 15 43.881 14.158 -4.886
113 HB2 PHE 15 HB2 PHE 15 45.405 12.212 -4.297
114 HB3 PHE 15 HB1 PHE 15 43.956 11.330 -3.762
115 HD1 PHE 15 HD1 PHE 15 42.629 10.159 -5.353
116 HD2 PHE 15 HD2 PHE 15 45.383 13.197 -6.702
117 HE1 PHE 15 HE1 PHE 15 42.159 9.535 -7.718
118 HE2 PHE 15 HE2 PHE 15 44.912 12.572 -9.067
119 HZ PHE 15 HZ PHE 15 43.239 10.798 -9.575
120 H ILE 16 HN ILE 16 42.195 13.293 -2.029
121 HA ILE 16 HA ILE 16 39.614 13.423 -3.500
122 HB ILE 16 HB ILE 16 40.052 11.189 -1.468
123 HG12 ILE 16 HG12 ILE 16 40.368 11.097 -4.503
124 HG13 ILE 16 HG11 ILE 16 41.626 10.763 -3.291
125 HG21 ILE 16 HG21 ILE 16 38.039 11.449 -3.741
126 HG22 ILE 16 HG22 ILE 16 37.732 12.086 -2.107
127 HG23 ILE 16 HG23 ILE 16 37.983 10.342 -2.349
128 HD11 ILE 16 HD1 ILE 16 40.002 8.917 -2.413
129 HD12 ILE 16 HD2 ILE 16 40.877 8.607 -3.932
130 HD13 ILE 16 HD3 ILE 16 39.172 9.112 -3.977
131 H HIS 17 HN HIS 17 40.562 12.376 -0.184
132 HA HIS 17 HA HIS 17 39.921 14.976 0.973
133 HB2 HIS 17 HB2 HIS 17 37.948 12.668 1.224
134 HB3 HIS 17 HB1 HIS 17 38.023 14.000 2.400
135 HD1 HIS 17 HD1 HIS 17 36.311 13.026 -0.610
136 HD2 HIS 17 HD2 HIS 17 37.764 16.658 0.930
137 HE1 HIS 17 HE1 HIS 17 35.157 14.911 -1.891
138 H GLY 18 HN GLY 18 42.247 13.766 1.131
139 HA2 GLY 18 HA1 GLY 18 43.786 12.941 2.659
140 HA3 GLY 18 HA2 GLY 18 42.572 13.166 3.915
141 H MET 19 HN MET 19 42.990 11.172 1.036
142 HA MET 19 HA MET 19 42.385 8.985 0.822
143 HB2 MET 19 HB2 MET 19 44.028 8.793 3.279
144 HB3 MET 19 HB1 MET 19 43.635 7.409 2.231
145 HG2 MET 19 HG2 MET 19 44.845 8.360 0.377
146 HG3 MET 19 HG1 MET 19 45.024 9.922 1.214
147 HE1 MET 19 HE1 MET 19 45.564 6.065 1.884
148 HE2 MET 19 HE2 MET 19 47.342 6.020 1.805
149 HE3 MET 19 HE3 MET 19 46.403 6.567 0.396
150 H ILE 20 HN ILE 20 40.574 10.595 2.599
151 HA ILE 20 HA ILE 20 38.719 10.104 3.912
152 HB ILE 20 HB ILE 20 39.007 7.413 2.479
153 HG12 ILE 20 HG12 ILE 20 36.903 8.159 1.394
154 HG13 ILE 20 HG11 ILE 20 36.939 9.655 2.358
155 HG21 ILE 20 HG21 ILE 20 36.643 6.999 3.446
156 HG22 ILE 20 HG22 ILE 20 37.040 8.262 4.637
157 HG23 ILE 20 HG23 ILE 20 38.015 6.776 4.555
158 HD11 ILE 20 HD1 ILE 20 39.291 8.868 0.599
159 HD12 ILE 20 HD2 ILE 20 38.860 10.475 1.233
160 HD13 ILE 20 HD3 ILE 20 37.891 9.742 -0.065
161 H GLN 21 HN GLN 21 41.771 8.771 4.077
162 HA GLN 21 HA GLN 21 41.297 7.582 6.840
163 HB2 GLN 21 HB2 GLN 21 42.276 6.096 5.013
164 HB3 GLN 21 HB1 GLN 21 43.698 7.168 5.018
165 HG2 GLN 21 HG2 GLN 21 43.977 6.741 7.465
166 HG3 GLN 21 HG1 GLN 21 42.608 5.607 7.401
167 HE21 GLN 21 HE21 GLN 21 42.991 3.480 6.644
168 HE22 GLN 21 HE22 GLN 21 44.564 2.945 6.042
169 H ASN 22 HN ASN 22 43.348 9.777 4.839
170 HA ASN 22 HA ASN 22 44.828 10.648 7.243
171 HB2 ASN 22 HB2 ASN 22 46.022 10.588 5.109
172 HB3 ASN 22 HB1 ASN 22 44.780 11.605 4.344
173 HD21 ASN 22 HD21 ASN 22 47.025 11.670 7.212
174 HD22 ASN 22 HD22 ASN 22 47.373 13.396 7.064
175 H HIS 23 HN HIS 23 42.083 11.419 5.198
176 HA HIS 23 HA HIS 23 40.469 13.103 5.406
177 HB2 HIS 23 HB2 HIS 23 41.372 12.931 8.306
178 HB3 HIS 23 HB1 HIS 23 39.974 13.886 7.762
179 HD1 HIS 23 HD1 HIS 23 38.128 12.432 6.296
180 HD2 HIS 23 HD2 HIS 23 40.776 10.256 8.732
181 HE1 HIS 23 HE1 HIS 23 37.096 10.126 6.672
182 H HIS 24 HN HIS 24 40.146 15.441 6.632
183 HA HIS 24 HA HIS 24 42.061 17.136 5.315
184 HB2 HIS 24 HB2 HIS 24 40.090 17.827 7.529
185 HB3 HIS 24 HB1 HIS 24 40.881 18.976 6.423
186 HD1 HIS 24 HD1 HIS 24 40.067 19.078 3.966
187 HD2 HIS 24 HD2 HIS 24 38.083 16.183 6.283
188 HE1 HIS 24 HE1 HIS 24 38.026 18.306 2.636
Start of MODEL 16
1 H1 PHE 1 HT1 PHE 1 54.896 2.457 -10.257
2 H2 PHE 1 HT2 PHE 1 56.230 2.674 -11.288
3 H3 PHE 1 HT3 PHE 1 54.656 2.985 -11.849
4 HA PHE 1 HA PHE 1 56.207 4.903 -11.145
5 HB2 PHE 1 HB2 PHE 1 54.154 6.165 -10.417
6 HB3 PHE 1 HB1 PHE 1 53.943 5.251 -11.930
7 HD1 PHE 1 HD1 PHE 1 52.877 5.617 -8.447
8 HD2 PHE 1 HD2 PHE 1 52.764 3.024 -11.895
9 HE1 PHE 1 HE1 PHE 1 50.981 4.355 -7.436
10 HE2 PHE 1 HE2 PHE 1 50.868 1.764 -10.886
11 HZ PHE 1 HZ PHE 1 49.932 2.474 -8.688
12 H LEU 2 HN LEU 2 57.421 5.547 -9.503
13 HA LEU 2 HA LEU 2 57.137 4.296 -6.875
14 HB2 LEU 2 HB2 LEU 2 58.859 6.710 -7.531
15 HB3 LEU 2 HB1 LEU 2 59.136 5.442 -6.311
16 HG LEU 2 HG LEU 2 59.223 5.102 -9.343
17 HD11 LEU 2 HD11 LEU 2 61.611 4.577 -8.911
18 HD12 LEU 2 HD12 LEU 2 61.365 4.904 -7.178
19 HD13 LEU 2 HD13 LEU 2 61.200 6.220 -8.366
20 HD21 LEU 2 HD21 LEU 2 60.081 2.762 -8.645
21 HD22 LEU 2 HD22 LEU 2 58.336 3.054 -8.478
22 HD23 LEU 2 HD23 LEU 2 59.388 3.109 -7.042
23 H GLY 3 HN GLY 3 55.066 6.274 -8.165
24 HA2 GLY 3 HA1 GLY 3 55.004 8.574 -6.451
25 HA3 GLY 3 HA2 GLY 3 53.642 7.921 -7.383
26 H ALA 4 HN ALA 4 54.229 5.254 -5.916
27 HA ALA 4 HA ALA 4 52.280 5.740 -3.785
28 HB1 ALA 4 HB1 ALA 4 53.897 3.258 -4.465
29 HB2 ALA 4 HB2 ALA 4 52.295 3.665 -5.126
30 HB3 ALA 4 HB3 ALA 4 52.483 3.331 -3.387
31 H LEU 5 HN LEU 5 55.746 5.621 -4.080
32 HA LEU 5 HA LEU 5 56.147 5.196 -1.166
33 HB2 LEU 5 HB2 LEU 5 57.979 5.545 -3.560
34 HB3 LEU 5 HB1 LEU 5 58.611 5.596 -1.903
35 HG LEU 5 HG LEU 5 58.705 3.326 -3.094
36 HD11 LEU 5 HD11 LEU 5 58.714 3.745 -0.522
37 HD12 LEU 5 HD12 LEU 5 58.358 2.104 -1.100
38 HD13 LEU 5 HD13 LEU 5 57.037 3.155 -0.555
39 HD21 LEU 5 HD21 LEU 5 56.691 2.017 -3.302
40 HD22 LEU 5 HD22 LEU 5 56.386 3.576 -4.102
41 HD23 LEU 5 HD23 LEU 5 55.716 3.260 -2.484
42 H ILE 6 HN ILE 6 55.354 7.751 -3.203
43 HA ILE 6 HA ILE 6 55.896 9.720 -1.078
44 HB ILE 6 HB ILE 6 57.203 11.270 -2.605
45 HG12 ILE 6 HG12 ILE 6 57.399 8.779 -4.357
46 HG13 ILE 6 HG11 ILE 6 56.545 10.286 -4.765
47 HG21 ILE 6 HG21 ILE 6 58.714 8.653 -2.293
48 HG22 ILE 6 HG22 ILE 6 58.291 9.689 -0.907
49 HG23 ILE 6 HG23 ILE 6 59.344 10.314 -2.195
50 HD11 ILE 6 HD1 ILE 6 58.845 11.455 -4.388
51 HD12 ILE 6 HD2 ILE 6 58.633 10.495 -5.872
52 HD13 ILE 6 HD3 ILE 6 59.533 9.816 -4.496
53 H LYS 7 HN LYS 7 55.677 12.015 -2.877
54 HA LYS 7 HA LYS 7 53.798 13.258 -3.463
55 HB2 LYS 7 HB2 LYS 7 53.100 10.608 -4.823
56 HB3 LYS 7 HB1 LYS 7 52.016 12.012 -4.894
57 HG2 LYS 7 HG2 LYS 7 53.900 13.369 -5.843
58 HG3 LYS 7 HG1 LYS 7 54.899 11.895 -5.870
59 HD2 LYS 7 HD2 LYS 7 53.108 10.804 -7.291
60 HD3 LYS 7 HD1 LYS 7 52.307 12.391 -7.392
61 HE2 LYS 7 HE2 LYS 7 54.271 13.375 -8.452
62 HE3 LYS 7 HE1 LYS 7 55.192 11.867 -8.228
63 HZ1 LYS 7 HZ1 LYS 7 54.145 12.251 -10.488
64 HZ2 LYS 7 HZ2 LYS 7 52.645 11.950 -9.748
65 HZ3 LYS 7 HZ3 LYS 7 53.846 10.748 -9.762
66 H GLY 8 HN GLY 8 54.435 11.680 -1.359
67 HA2 GLY 8 HA1 GLY 8 53.904 10.710 0.527
68 HA3 GLY 8 HA2 GLY 8 52.604 11.959 0.648
69 H ALA 9 HN ALA 9 53.308 8.938 -1.134
70 HA ALA 9 HA ALA 9 52.060 7.034 -1.492
71 HB1 ALA 9 HB1 ALA 9 50.402 7.840 0.912
72 HB2 ALA 9 HB2 ALA 9 52.026 7.126 1.047
73 HB3 ALA 9 HB3 ALA 9 50.709 6.205 0.282
74 H ILE 10 HN ILE 10 51.011 9.983 -2.119
75 HA ILE 10 HA ILE 10 48.783 9.029 -3.736
76 HB ILE 10 HB ILE 10 47.222 10.934 -2.500
77 HG12 ILE 10 HG12 ILE 10 48.652 9.582 -0.172
78 HG13 ILE 10 HG11 ILE 10 49.112 11.188 -0.772
79 HG21 ILE 10 HG21 ILE 10 46.724 8.422 -2.985
80 HG22 ILE 10 HG22 ILE 10 45.869 9.205 -1.644
81 HG23 ILE 10 HG23 ILE 10 47.243 8.138 -1.309
82 HD11 ILE 10 HD1 ILE 10 47.561 11.485 1.071
83 HD12 ILE 10 HD2 ILE 10 46.400 10.353 0.341
84 HD13 ILE 10 HD3 ILE 10 46.717 11.926 -0.431
85 H HIS 11 HN HIS 11 48.739 12.213 -2.234
86 HA HIS 11 HA HIS 11 50.192 13.428 -4.540
87 HB2 HIS 11 HB2 HIS 11 47.732 13.269 -5.134
88 HB3 HIS 11 HB1 HIS 11 47.397 14.322 -3.738
89 HD1 HIS 11 HD1 HIS 11 50.600 14.989 -5.513
90 HD2 HIS 11 HD2 HIS 11 46.628 16.362 -5.690
91 HE1 HIS 11 HE1 HIS 11 50.599 17.141 -6.890
92 H GLY 12 HN GLY 12 50.453 13.024 -1.529
93 HA2 GLY 12 HA1 GLY 12 51.572 14.345 0.045
94 HA3 GLY 12 HA2 GLY 12 51.328 15.775 -0.976
95 H GLY 13 HN GLY 13 48.878 13.491 0.250
96 HA2 GLY 13 HA1 GLY 13 47.175 13.813 1.795
97 HA3 GLY 13 HA2 GLY 13 48.028 15.251 2.391
98 H ARG 14 HN ARG 14 47.772 15.636 -0.889
99 HA ARG 14 HA ARG 14 45.739 17.679 -0.584
100 HB2 ARG 14 HB2 ARG 14 47.770 17.106 -2.429
101 HB3 ARG 14 HB1 ARG 14 46.303 16.785 -3.372
102 HG2 ARG 14 HG2 ARG 14 46.823 19.363 -1.810
103 HG3 ARG 14 HG1 ARG 14 47.120 19.159 -3.550
104 HD2 ARG 14 HD2 ARG 14 44.433 18.879 -2.134
105 HD3 ARG 14 HD1 ARG 14 44.927 20.199 -3.219
106 HE ARG 14 HE ARG 14 44.015 17.557 -4.050
107 HH11 ARG 14 HH11 ARG 14 46.062 20.239 -4.761
108 HH12 ARG 14 HH12 ARG 14 46.037 19.976 -6.472
109 HH21 ARG 14 HH21 ARG 14 43.961 17.204 -6.282
110 HH22 ARG 14 HH22 ARG 14 44.849 18.256 -7.333
111 H PHE 15 HN PHE 15 45.662 14.301 -1.069
112 HA PHE 15 HA PHE 15 43.248 14.110 -2.640
113 HB2 PHE 15 HB2 PHE 15 44.867 12.238 -2.299
114 HB3 PHE 15 HB1 PHE 15 44.360 12.149 -0.595
115 HD1 PHE 15 HD1 PHE 15 43.412 11.458 -4.090
116 HD2 PHE 15 HD2 PHE 15 42.063 11.443 0.009
117 HE1 PHE 15 HE1 PHE 15 41.470 10.035 -4.735
118 HE2 PHE 15 HE2 PHE 15 40.121 10.019 -0.635
119 HZ PHE 15 HZ PHE 15 39.819 9.325 -3.008
120 H ILE 16 HN ILE 16 43.950 14.368 0.835
121 HA ILE 16 HA ILE 16 41.287 13.803 1.740
122 HB ILE 16 HB ILE 16 43.401 15.579 3.038
123 HG12 ILE 16 HG12 ILE 16 42.776 12.658 3.668
124 HG13 ILE 16 HG11 ILE 16 43.972 13.093 2.428
125 HG21 ILE 16 HG21 ILE 16 41.244 15.982 4.049
126 HG22 ILE 16 HG22 ILE 16 42.111 14.872 5.131
127 HG23 ILE 16 HG23 ILE 16 40.851 14.246 4.045
128 HD11 ILE 16 HD1 ILE 16 45.066 14.574 4.273
129 HD12 ILE 16 HD2 ILE 16 45.257 12.813 4.400
130 HD13 ILE 16 HD3 ILE 16 44.064 13.648 5.416
131 H HIS 17 HN HIS 17 42.668 17.049 2.344
132 HA HIS 17 HA HIS 17 40.554 18.300 0.661
133 HB2 HIS 17 HB2 HIS 17 39.552 17.769 2.976
134 HB3 HIS 17 HB1 HIS 17 40.694 18.964 3.629
135 HD1 HIS 17 HD1 HIS 17 40.491 21.466 2.650
136 HD2 HIS 17 HD2 HIS 17 37.335 18.871 1.662
137 HE1 HIS 17 HE1 HIS 17 38.538 22.911 1.859
138 H GLY 18 HN GLY 18 43.582 18.020 1.306
139 HA2 GLY 18 HA1 GLY 18 44.649 20.241 0.189
140 HA3 GLY 18 HA2 GLY 18 44.347 20.821 1.847
141 H MET 19 HN MET 19 44.855 18.936 3.465
142 HA MET 19 HA MET 19 46.801 17.111 3.364
143 HB2 MET 19 HB2 MET 19 48.432 18.542 2.259
144 HB3 MET 19 HB1 MET 19 48.181 19.783 3.501
145 HG2 MET 19 HG2 MET 19 49.516 18.659 5.047
146 HG3 MET 19 HG1 MET 19 49.023 17.051 4.465
147 HE1 MET 19 HE1 MET 19 50.592 20.333 3.190
148 HE2 MET 19 HE2 MET 19 52.259 19.853 2.790
149 HE3 MET 19 HE3 MET 19 51.696 19.792 4.477
150 H ILE 20 HN ILE 20 44.567 18.474 4.641
151 HA ILE 20 HA ILE 20 43.794 18.781 6.810
152 HB ILE 20 HB ILE 20 46.216 17.066 7.588
153 HG12 ILE 20 HG12 ILE 20 44.604 15.815 6.241
154 HG13 ILE 20 HG11 ILE 20 44.506 15.277 7.928
155 HG21 ILE 20 HG21 ILE 20 44.076 18.421 9.233
156 HG22 ILE 20 HG22 ILE 20 45.786 18.125 9.609
157 HG23 ILE 20 HG23 ILE 20 44.611 16.796 9.728
158 HD11 ILE 20 HD1 ILE 20 42.569 17.116 8.071
159 HD12 ILE 20 HD2 ILE 20 42.234 15.509 7.401
160 HD13 ILE 20 HD3 ILE 20 42.514 16.884 6.310
161 H GLN 21 HN GLN 21 46.661 19.707 5.436
162 HA GLN 21 HA GLN 21 47.254 21.701 7.685
163 HB2 GLN 21 HB2 GLN 21 49.094 20.094 6.907
164 HB3 GLN 21 HB1 GLN 21 49.063 20.961 5.355
165 HG2 GLN 21 HG2 GLN 21 50.780 22.008 6.670
166 HG3 GLN 21 HG1 GLN 21 49.391 23.120 6.690
167 HE21 GLN 21 HE21 GLN 21 51.037 20.548 8.626
168 HE22 GLN 21 HE22 GLN 21 50.428 21.130 10.180
169 H ASN 22 HN ASN 22 46.772 21.256 4.164
170 HA ASN 22 HA ASN 22 46.763 24.205 3.763
171 HB2 ASN 22 HB2 ASN 22 46.483 21.804 1.917
172 HB3 ASN 22 HB1 ASN 22 46.222 23.473 1.360
173 HD21 ASN 22 HD21 ASN 22 48.572 22.983 3.935
174 HD22 ASN 22 HD22 ASN 22 50.003 23.199 2.924
175 H HIS 23 HN HIS 23 44.631 21.514 4.330
176 HA HIS 23 HA HIS 23 42.219 22.321 3.171
177 HB2 HIS 23 HB2 HIS 23 42.497 20.249 4.469
178 HB3 HIS 23 HB1 HIS 23 42.655 21.195 5.966
179 HD1 HIS 23 HD1 HIS 23 40.261 23.030 4.095
180 HD2 HIS 23 HD2 HIS 23 40.089 19.370 6.158
181 HE1 HIS 23 HE1 HIS 23 37.805 22.574 4.633
182 H HIS 24 HN HIS 24 43.177 23.124 6.547
183 HA HIS 24 HA HIS 24 41.132 25.119 6.847
184 HB2 HIS 24 HB2 HIS 24 43.766 24.723 8.320
185 HB3 HIS 24 HB1 HIS 24 42.468 25.824 8.839
186 HD1 HIS 24 HD1 HIS 24 41.942 22.356 7.331
187 HD2 HIS 24 HD2 HIS 24 41.530 24.333 11.021
188 HE1 HIS 24 HE1 HIS 24 40.733 20.761 8.917
Start of MODEL 17
1 H1 PHE 1 HT1 PHE 1 58.899 6.113 7.848
2 H2 PHE 1 HT2 PHE 1 59.867 7.305 7.121
3 H3 PHE 1 HT3 PHE 1 60.184 6.800 8.712
4 HA PHE 1 HA PHE 1 61.749 5.886 7.125
5 HB2 PHE 1 HB2 PHE 1 61.408 3.485 7.825
6 HB3 PHE 1 HB1 PHE 1 61.367 4.653 9.167
7 HD1 PHE 1 HD1 PHE 1 59.298 2.490 6.951
8 HD2 PHE 1 HD2 PHE 1 59.318 5.093 10.395
9 HE1 PHE 1 HE1 PHE 1 57.005 1.720 7.547
10 HE2 PHE 1 HE2 PHE 1 57.026 4.322 10.991
11 HZ PHE 1 HZ PHE 1 55.866 2.639 9.565
12 H LEU 2 HN LEU 2 58.832 6.380 5.869
13 HA LEU 2 HA LEU 2 58.448 4.091 4.145
14 HB2 LEU 2 HB2 LEU 2 57.493 6.973 4.108
15 HB3 LEU 2 HB1 LEU 2 57.104 5.859 2.778
16 HG LEU 2 HG LEU 2 55.994 4.324 4.313
17 HD11 LEU 2 HD11 LEU 2 55.712 5.123 6.760
18 HD12 LEU 2 HD12 LEU 2 57.082 6.213 6.437
19 HD13 LEU 2 HD13 LEU 2 57.295 4.449 6.310
20 HD21 LEU 2 HD21 LEU 2 54.672 6.224 3.447
21 HD22 LEU 2 HD22 LEU 2 55.186 7.222 4.827
22 HD23 LEU 2 HD23 LEU 2 54.149 5.800 5.094
23 H GLY 3 HN GLY 3 58.512 4.325 1.702
24 HA2 GLY 3 HA1 GLY 3 60.225 6.095 0.355
25 HA3 GLY 3 HA2 GLY 3 61.255 4.770 0.935
26 H ALA 4 HN ALA 4 58.098 5.291 -0.697
27 HA ALA 4 HA ALA 4 58.920 3.546 -2.906
28 HB1 ALA 4 HB1 ALA 4 58.239 1.921 -1.120
29 HB2 ALA 4 HB2 ALA 4 57.247 1.834 -2.595
30 HB3 ALA 4 HB3 ALA 4 56.617 2.649 -1.143
31 H LEU 5 HN LEU 5 55.814 4.443 -1.328
32 HA LEU 5 HA LEU 5 54.608 5.173 -3.852
33 HB2 LEU 5 HB2 LEU 5 53.686 6.162 -1.133
34 HB3 LEU 5 HB1 LEU 5 52.709 5.798 -2.574
35 HG LEU 5 HG LEU 5 54.195 3.797 -0.814
36 HD11 LEU 5 HD11 LEU 5 51.955 2.978 -0.292
37 HD12 LEU 5 HD12 LEU 5 51.229 4.126 -1.441
38 HD13 LEU 5 HD13 LEU 5 52.018 4.726 0.037
39 HD21 LEU 5 HD21 LEU 5 54.385 2.962 -3.058
40 HD22 LEU 5 HD22 LEU 5 52.736 3.487 -3.473
41 HD23 LEU 5 HD23 LEU 5 52.982 2.120 -2.359
42 H ILE 6 HN ILE 6 55.459 7.217 -1.016
43 HA ILE 6 HA ILE 6 55.857 9.532 -0.905
44 HB ILE 6 HB ILE 6 57.439 9.317 -3.513
45 HG12 ILE 6 HG12 ILE 6 58.171 7.932 -0.890
46 HG13 ILE 6 HG11 ILE 6 57.834 7.136 -2.446
47 HG21 ILE 6 HG21 ILE 6 58.923 10.814 -2.423
48 HG22 ILE 6 HG22 ILE 6 58.347 10.361 -0.801
49 HG23 ILE 6 HG23 ILE 6 57.320 11.348 -1.865
50 HD11 ILE 6 HD1 ILE 6 60.180 8.932 -1.728
51 HD12 ILE 6 HD2 ILE 6 59.755 8.555 -3.416
52 HD13 ILE 6 HD3 ILE 6 60.216 7.248 -2.299
53 H LYS 7 HN LYS 7 56.592 11.066 -3.489
54 HA LYS 7 HA LYS 7 55.320 12.691 -4.579
55 HB2 LYS 7 HB2 LYS 7 53.287 10.419 -4.910
56 HB3 LYS 7 HB1 LYS 7 53.249 11.973 -5.778
57 HG2 LYS 7 HG2 LYS 7 55.345 11.480 -6.898
58 HG3 LYS 7 HG1 LYS 7 55.586 10.024 -5.905
59 HD2 LYS 7 HD2 LYS 7 54.742 9.359 -8.103
60 HD3 LYS 7 HD1 LYS 7 53.490 9.053 -6.878
61 HE2 LYS 7 HE2 LYS 7 52.179 10.895 -7.580
62 HE3 LYS 7 HE1 LYS 7 53.545 11.677 -8.413
63 HZ1 LYS 7 HZ1 LYS 7 52.336 9.087 -9.241
64 HZ2 LYS 7 HZ2 LYS 7 53.517 9.978 -10.074
65 HZ3 LYS 7 HZ3 LYS 7 51.939 10.589 -9.923
66 H GLY 8 HN GLY 8 55.437 11.847 -2.011
67 HA2 GLY 8 HA1 GLY 8 54.582 11.771 0.035
68 HA3 GLY 8 HA2 GLY 8 54.167 13.492 -0.324
69 H ALA 9 HN ALA 9 53.068 10.188 -0.081
70 HA ALA 9 HA ALA 9 50.978 9.265 0.164
71 HB1 ALA 9 HB1 ALA 9 50.913 11.040 1.982
72 HB2 ALA 9 HB2 ALA 9 49.329 10.499 1.376
73 HB3 ALA 9 HB3 ALA 9 50.005 12.058 0.840
74 H ILE 10 HN ILE 10 51.668 9.777 -2.409
75 HA ILE 10 HA ILE 10 50.685 9.751 -4.484
76 HB ILE 10 HB ILE 10 48.442 9.240 -2.810
77 HG12 ILE 10 HG12 ILE 10 48.558 9.265 -5.861
78 HG13 ILE 10 HG11 ILE 10 49.171 7.960 -4.819
79 HG21 ILE 10 HG21 ILE 10 47.739 11.657 -3.168
80 HG22 ILE 10 HG22 ILE 10 46.564 10.447 -3.702
81 HG23 ILE 10 HG23 ILE 10 47.582 11.281 -4.898
82 HD11 ILE 10 HD1 ILE 10 47.027 7.169 -5.383
83 HD12 ILE 10 HD2 ILE 10 46.304 8.792 -5.345
84 HD13 ILE 10 HD3 ILE 10 46.718 7.964 -3.823
85 H HIS 11 HN HIS 11 49.725 12.367 -2.306
86 HA HIS 11 HA HIS 11 50.868 14.405 -3.967
87 HB2 HIS 11 HB2 HIS 11 48.928 13.967 -5.437
88 HB3 HIS 11 HB1 HIS 11 47.825 14.187 -4.059
89 HD1 HIS 11 HD1 HIS 11 47.361 16.579 -3.228
90 HD2 HIS 11 HD2 HIS 11 50.146 16.393 -6.376
91 HE1 HIS 11 HE1 HIS 11 47.735 18.968 -4.056
92 H GLY 12 HN GLY 12 49.415 13.109 -1.267
93 HA2 GLY 12 HA1 GLY 12 50.099 14.431 0.816
94 HA3 GLY 12 HA2 GLY 12 49.166 15.772 0.115
95 H GLY 13 HN GLY 13 48.061 12.537 -0.467
96 HA2 GLY 13 HA1 GLY 13 46.191 11.398 0.283
97 HA3 GLY 13 HA2 GLY 13 46.443 12.172 1.863
98 H ARG 14 HN ARG 14 45.169 12.759 -1.427
99 HA ARG 14 HA ARG 14 42.748 13.943 -0.295
100 HB2 ARG 14 HB2 ARG 14 44.214 15.879 -0.036
101 HB3 ARG 14 HB1 ARG 14 44.760 15.733 -1.719
102 HG2 ARG 14 HG2 ARG 14 43.033 17.520 -1.411
103 HG3 ARG 14 HG1 ARG 14 42.505 16.260 -2.544
104 HD2 ARG 14 HD2 ARG 14 40.981 15.330 -0.986
105 HD3 ARG 14 HD1 ARG 14 41.802 16.077 0.406
106 HE ARG 14 HE ARG 14 40.555 18.047 0.008
107 HH11 ARG 14 HH11 ARG 14 38.740 15.921 -1.442
108 HH12 ARG 14 HH12 ARG 14 38.313 16.830 -2.852
109 HH21 ARG 14 HH21 ARG 14 40.757 19.241 -2.364
110 HH22 ARG 14 HH22 ARG 14 39.455 18.709 -3.374
111 H PHE 15 HN PHE 15 44.828 13.092 -3.007
112 HA PHE 15 HA PHE 15 43.217 13.674 -5.207
113 HB2 PHE 15 HB2 PHE 15 45.491 12.488 -5.160
114 HB3 PHE 15 HB1 PHE 15 44.589 10.985 -4.856
115 HD1 PHE 15 HD1 PHE 15 45.602 13.429 -7.366
116 HD2 PHE 15 HD2 PHE 15 42.816 10.243 -6.520
117 HE1 PHE 15 HE1 PHE 15 45.111 13.213 -9.799
118 HE2 PHE 15 HE2 PHE 15 42.325 10.027 -8.953
119 HZ PHE 15 HZ PHE 15 43.431 11.549 -10.586
120 H ILE 16 HN ILE 16 43.020 10.759 -3.115
121 HA ILE 16 HA ILE 16 40.506 9.939 -4.448
122 HB ILE 16 HB ILE 16 41.796 8.713 -1.973
123 HG12 ILE 16 HG12 ILE 16 43.327 8.860 -4.074
124 HG13 ILE 16 HG11 ILE 16 43.100 7.268 -3.331
125 HG21 ILE 16 HG21 ILE 16 40.583 6.662 -2.888
126 HG22 ILE 16 HG22 ILE 16 39.750 7.758 -4.012
127 HG23 ILE 16 HG23 ILE 16 39.543 7.959 -2.254
128 HD11 ILE 16 HD1 ILE 16 42.938 7.324 -5.876
129 HD12 ILE 16 HD2 ILE 16 41.430 8.241 -5.691
130 HD13 ILE 16 HD3 ILE 16 41.548 6.588 -5.048
131 H HIS 17 HN HIS 17 41.247 10.068 -0.917
132 HA HIS 17 HA HIS 17 39.093 12.047 -0.508
133 HB2 HIS 17 HB2 HIS 17 38.764 9.141 0.326
134 HB3 HIS 17 HB1 HIS 17 37.829 10.474 1.040
135 HD1 HIS 17 HD1 HIS 17 36.821 12.166 -1.073
136 HD2 HIS 17 HD2 HIS 17 37.237 8.027 -1.679
137 HE1 HIS 17 HE1 HIS 17 35.350 11.536 -3.064
138 H GLY 18 HN GLY 18 42.045 11.035 0.114
139 HA2 GLY 18 HA1 GLY 18 43.526 11.355 1.857
140 HA3 GLY 18 HA2 GLY 18 42.363 12.538 2.500
141 H MET 19 HN MET 19 42.267 9.055 1.938
142 HA MET 19 HA MET 19 42.578 8.284 4.668
143 HB2 MET 19 HB2 MET 19 40.396 7.562 5.177
144 HB3 MET 19 HB1 MET 19 40.519 9.307 4.999
145 HG2 MET 19 HG2 MET 19 39.706 8.914 2.546
146 HG3 MET 19 HG1 MET 19 39.190 7.320 3.146
147 HE1 MET 19 HE1 MET 19 35.696 8.555 3.341
148 HE2 MET 19 HE2 MET 19 36.763 7.131 3.338
149 HE3 MET 19 HE3 MET 19 36.918 8.361 2.061
150 H ILE 20 HN ILE 20 41.383 7.726 1.407
151 HA ILE 20 HA ILE 20 41.721 4.795 1.659
152 HB ILE 20 HB ILE 20 41.412 6.755 -0.667
153 HG12 ILE 20 HG12 ILE 20 39.523 5.337 -1.247
154 HG13 ILE 20 HG11 ILE 20 40.037 4.091 -0.087
155 HG21 ILE 20 HG21 ILE 20 41.723 4.699 -2.198
156 HG22 ILE 20 HG22 ILE 20 42.510 3.916 -0.807
157 HG23 ILE 20 HG23 ILE 20 43.206 5.396 -1.505
158 HD11 ILE 20 HD1 ILE 20 38.118 5.693 0.630
159 HD12 ILE 20 HD2 ILE 20 39.397 6.916 0.825
160 HD13 ILE 20 HD3 ILE 20 39.443 5.418 1.786
161 H GLN 21 HN GLN 21 43.382 7.617 1.889
162 HA GLN 21 HA GLN 21 46.049 6.367 1.485
163 HB2 GLN 21 HB2 GLN 21 45.413 8.073 -0.302
164 HB3 GLN 21 HB1 GLN 21 45.367 9.290 0.995
165 HG2 GLN 21 HG2 GLN 21 47.567 9.394 0.006
166 HG3 GLN 21 HG1 GLN 21 47.748 8.600 1.586
167 HE21 GLN 21 HE21 GLN 21 46.848 7.526 -1.782
168 HE22 GLN 21 HE22 GLN 21 47.947 6.142 -1.770
169 H ASN 22 HN ASN 22 43.763 8.422 3.565
170 HA ASN 22 HA ASN 22 46.181 8.844 5.381
171 HB2 ASN 22 HB2 ASN 22 44.414 10.711 4.647
172 HB3 ASN 22 HB1 ASN 22 43.456 10.009 5.972
173 HD21 ASN 22 HD21 ASN 22 44.949 12.695 5.730
174 HD22 ASN 22 HD22 ASN 22 45.978 12.724 7.166
175 H HIS 23 HN HIS 23 43.898 6.549 4.817
176 HA HIS 23 HA HIS 23 42.929 4.894 6.128
177 HB2 HIS 23 HB2 HIS 23 45.349 4.507 6.609
178 HB3 HIS 23 HB1 HIS 23 45.208 5.571 8.030
179 HD1 HIS 23 HD1 HIS 23 43.416 2.469 6.607
180 HD2 HIS 23 HD2 HIS 23 44.563 4.141 10.293
181 HE1 HIS 23 HE1 HIS 23 42.721 0.827 8.439
182 H HIS 24 HN HIS 24 40.952 5.601 6.763
183 HA HIS 24 HA HIS 24 40.585 7.657 8.765
184 HB2 HIS 24 HB2 HIS 24 38.206 6.924 8.711
185 HB3 HIS 24 HB1 HIS 24 38.871 7.193 7.082
186 HD1 HIS 24 HD1 HIS 24 38.936 5.233 5.477
187 HD2 HIS 24 HD2 HIS 24 37.927 4.110 9.402
188 HE1 HIS 24 HE1 HIS 24 38.263 2.768 5.416
Start of MODEL 18
1 H1 PHE 1 HT1 PHE 1 59.177 0.387 -11.025
2 H2 PHE 1 HT2 PHE 1 58.792 -0.466 -9.606
3 H3 PHE 1 HT3 PHE 1 59.344 1.138 -9.515
4 HA PHE 1 HA PHE 1 57.289 1.539 -11.060
5 HB2 PHE 1 HB2 PHE 1 56.544 -0.850 -9.324
6 HB3 PHE 1 HB1 PHE 1 55.416 0.120 -10.300
7 HD1 PHE 1 HD1 PHE 1 58.227 -2.303 -10.408
8 HD2 PHE 1 HD2 PHE 1 55.374 -0.050 -12.735
9 HE1 PHE 1 HE1 PHE 1 58.764 -3.688 -12.408
10 HE2 PHE 1 HE2 PHE 1 55.913 -1.435 -14.735
11 HZ PHE 1 HZ PHE 1 57.656 -3.209 -14.588
12 H LEU 2 HN LEU 2 59.030 2.226 -8.673
13 HA LEU 2 HA LEU 2 57.209 2.732 -6.465
14 HB2 LEU 2 HB2 LEU 2 59.789 4.234 -7.022
15 HB3 LEU 2 HB1 LEU 2 59.031 3.876 -5.453
16 HG LEU 2 HG LEU 2 60.255 1.838 -7.367
17 HD11 LEU 2 HD11 LEU 2 61.892 3.251 -6.133
18 HD12 LEU 2 HD12 LEU 2 61.931 1.558 -5.583
19 HD13 LEU 2 HD13 LEU 2 61.111 2.794 -4.599
20 HD21 LEU 2 HD21 LEU 2 58.760 1.572 -4.725
21 HD22 LEU 2 HD22 LEU 2 59.877 0.315 -5.308
22 HD23 LEU 2 HD23 LEU 2 58.438 0.736 -6.264
23 H GLY 3 HN GLY 3 56.196 4.622 -5.834
24 HA2 GLY 3 HA1 GLY 3 56.468 7.165 -6.955
25 HA3 GLY 3 HA2 GLY 3 55.315 6.320 -8.007
26 H ALA 4 HN ALA 4 54.014 4.717 -6.095
27 HA ALA 4 HA ALA 4 52.167 6.692 -5.024
28 HB1 ALA 4 HB1 ALA 4 52.335 3.707 -4.486
29 HB2 ALA 4 HB2 ALA 4 51.482 4.452 -5.860
30 HB3 ALA 4 HB3 ALA 4 50.934 4.765 -4.195
31 H LEU 5 HN LEU 5 54.888 4.850 -3.784
32 HA LEU 5 HA LEU 5 54.253 5.179 -0.981
33 HB2 LEU 5 HB2 LEU 5 56.781 4.542 -2.538
34 HB3 LEU 5 HB1 LEU 5 56.822 4.763 -0.773
35 HG LEU 5 HG LEU 5 55.212 2.961 -0.453
36 HD11 LEU 5 HD11 LEU 5 54.540 1.603 -2.550
37 HD12 LEU 5 HD12 LEU 5 55.056 3.023 -3.492
38 HD13 LEU 5 HD13 LEU 5 53.729 3.167 -2.313
39 HD21 LEU 5 HD21 LEU 5 57.354 2.155 -2.473
40 HD22 LEU 5 HD22 LEU 5 56.542 1.068 -1.322
41 HD23 LEU 5 HD23 LEU 5 57.612 2.359 -0.725
42 H ILE 6 HN ILE 6 55.759 7.198 -3.427
43 HA ILE 6 HA ILE 6 56.165 9.354 -1.313
44 HB ILE 6 HB ILE 6 57.811 9.396 -3.888
45 HG12 ILE 6 HG12 ILE 6 58.055 7.033 -3.040
46 HG13 ILE 6 HG11 ILE 6 59.558 7.969 -3.014
47 HG21 ILE 6 HG21 ILE 6 58.315 10.190 -0.980
48 HG22 ILE 6 HG22 ILE 6 58.005 11.273 -2.353
49 HG23 ILE 6 HG23 ILE 6 59.515 10.337 -2.284
50 HD11 ILE 6 HD1 ILE 6 58.943 6.542 -0.906
51 HD12 ILE 6 HD2 ILE 6 57.799 7.853 -0.545
52 HD13 ILE 6 HD3 ILE 6 59.538 8.199 -0.664
53 H LYS 7 HN LYS 7 56.977 11.077 -3.773
54 HA LYS 7 HA LYS 7 55.744 12.805 -4.743
55 HB2 LYS 7 HB2 LYS 7 53.600 10.670 -5.227
56 HB3 LYS 7 HB1 LYS 7 53.727 12.236 -6.057
57 HG2 LYS 7 HG2 LYS 7 56.033 10.254 -6.162
58 HG3 LYS 7 HG1 LYS 7 54.644 10.060 -7.252
59 HD2 LYS 7 HD2 LYS 7 55.878 12.819 -7.091
60 HD3 LYS 7 HD1 LYS 7 56.814 11.560 -7.923
61 HE2 LYS 7 HE2 LYS 7 55.325 12.849 -9.470
62 HE3 LYS 7 HE1 LYS 7 54.951 11.110 -9.443
63 HZ1 LYS 7 HZ1 LYS 7 52.966 12.538 -9.308
64 HZ2 LYS 7 HZ2 LYS 7 53.529 13.176 -7.837
65 HZ3 LYS 7 HZ3 LYS 7 53.130 11.529 -7.956
66 H GLY 8 HN GLY 8 55.822 11.768 -2.245
67 HA2 GLY 8 HA1 GLY 8 54.933 11.547 -0.218
68 HA3 GLY 8 HA2 GLY 8 54.574 13.303 -0.446
69 H ALA 9 HN ALA 9 53.370 10.089 -0.220
70 HA ALA 9 HA ALA 9 51.262 9.156 -0.345
71 HB1 ALA 9 HB1 ALA 9 49.653 10.234 1.149
72 HB2 ALA 9 HB2 ALA 9 50.592 11.745 1.098
73 HB3 ALA 9 HB3 ALA 9 51.285 10.292 1.856
74 H ILE 10 HN ILE 10 51.859 10.252 -2.747
75 HA ILE 10 HA ILE 10 51.019 11.395 -4.599
76 HB ILE 10 HB ILE 10 48.457 10.607 -4.974
77 HG12 ILE 10 HG12 ILE 10 49.488 8.727 -2.791
78 HG13 ILE 10 HG11 ILE 10 48.164 9.894 -2.600
79 HG21 ILE 10 HG21 ILE 10 50.525 9.779 -6.180
80 HG22 ILE 10 HG22 ILE 10 49.288 8.532 -5.929
81 HG23 ILE 10 HG23 ILE 10 50.730 8.573 -4.888
82 HD11 ILE 10 HD1 ILE 10 46.987 7.919 -3.080
83 HD12 ILE 10 HD2 ILE 10 48.225 7.337 -4.215
84 HD13 ILE 10 HD3 ILE 10 47.125 8.652 -4.696
85 H HIS 11 HN HIS 11 47.770 11.443 -3.298
86 HA HIS 11 HA HIS 11 47.374 14.163 -3.893
87 HB2 HIS 11 HB2 HIS 11 45.384 14.017 -2.452
88 HB3 HIS 11 HB1 HIS 11 45.541 12.578 -3.487
89 HD1 HIS 11 HD1 HIS 11 47.193 13.458 -0.121
90 HD2 HIS 11 HD2 HIS 11 44.774 10.485 -1.851
91 HE1 HIS 11 HE1 HIS 11 46.881 11.618 1.624
92 H GLY 12 HN GLY 12 49.473 12.942 -1.531
93 HA2 GLY 12 HA1 GLY 12 48.937 14.807 0.603
94 HA3 GLY 12 HA2 GLY 12 50.475 13.976 0.303
95 H GLY 13 HN GLY 13 49.709 15.349 -2.537
96 HA2 GLY 13 HA1 GLY 13 50.331 18.129 -2.084
97 HA3 GLY 13 HA2 GLY 13 51.772 17.227 -2.601
98 H ARG 14 HN ARG 14 49.691 15.356 -4.005
99 HA ARG 14 HA ARG 14 49.845 16.799 -6.581
100 HB2 ARG 14 HB2 ARG 14 50.429 14.421 -6.501
101 HB3 ARG 14 HB1 ARG 14 48.836 14.024 -5.823
102 HG2 ARG 14 HG2 ARG 14 48.979 13.563 -8.277
103 HG3 ARG 14 HG1 ARG 14 47.726 14.759 -7.890
104 HD2 ARG 14 HD2 ARG 14 48.992 16.550 -8.768
105 HD3 ARG 14 HD1 ARG 14 50.532 15.668 -8.611
106 HE ARG 14 HE ARG 14 48.836 14.272 -10.452
107 HH11 ARG 14 HH11 ARG 14 49.868 14.212 -12.511
108 HH12 ARG 14 HH12 ARG 14 50.541 15.683 -13.131
109 HH21 ARG 14 HH21 ARG 14 50.044 17.460 -10.195
110 HH22 ARG 14 HH22 ARG 14 50.640 17.522 -11.821
111 H PHE 15 HN PHE 15 47.550 16.195 -4.042
112 HA PHE 15 HA PHE 15 45.075 16.114 -5.233
113 HB2 PHE 15 HB2 PHE 15 45.650 16.357 -2.749
114 HB3 PHE 15 HB1 PHE 15 45.692 18.113 -3.028
115 HD1 PHE 15 HD1 PHE 15 43.514 15.086 -3.559
116 HD2 PHE 15 HD2 PHE 15 43.667 19.357 -2.948
117 HE1 PHE 15 HE1 PHE 15 41.030 15.153 -3.390
118 HE2 PHE 15 HE2 PHE 15 41.183 19.422 -2.778
119 HZ PHE 15 HZ PHE 15 39.873 17.308 -2.919
120 H ILE 16 HN ILE 16 47.369 18.753 -5.427
121 HA ILE 16 HA ILE 16 45.460 20.192 -7.243
122 HB ILE 16 HB ILE 16 47.208 21.696 -5.245
123 HG12 ILE 16 HG12 ILE 16 44.254 20.955 -5.015
124 HG13 ILE 16 HG11 ILE 16 45.566 20.321 -3.995
125 HG21 ILE 16 HG21 ILE 16 45.899 23.595 -5.920
126 HG22 ILE 16 HG22 ILE 16 44.710 22.568 -6.754
127 HG23 ILE 16 HG23 ILE 16 46.349 22.757 -7.421
128 HD11 ILE 16 HD1 ILE 16 44.453 23.143 -4.110
129 HD12 ILE 16 HD2 ILE 16 46.077 22.823 -3.452
130 HD13 ILE 16 HD3 ILE 16 44.647 22.081 -2.698
131 H HIS 17 HN HIS 17 48.727 20.982 -5.929
132 HA HIS 17 HA HIS 17 50.059 20.116 -8.367
133 HB2 HIS 17 HB2 HIS 17 48.921 22.189 -9.189
134 HB3 HIS 17 HB1 HIS 17 49.771 23.117 -7.929
135 HD1 HIS 17 HD1 HIS 17 51.573 20.260 -9.571
136 HD2 HIS 17 HD2 HIS 17 51.312 24.438 -9.988
137 HE1 HIS 17 HE1 HIS 17 53.509 20.996 -11.067
138 H GLY 18 HN GLY 18 50.927 19.126 -6.281
139 HA2 GLY 18 HA1 GLY 18 52.718 18.973 -4.822
140 HA3 GLY 18 HA2 GLY 18 53.464 20.313 -5.702
141 H MET 19 HN MET 19 50.557 19.912 -3.724
142 HA MET 19 HA MET 19 49.779 21.436 -2.222
143 HB2 MET 19 HB2 MET 19 51.731 19.875 -1.165
144 HB3 MET 19 HB1 MET 19 52.206 21.496 -0.630
145 HG2 MET 19 HG2 MET 19 49.584 20.048 -0.078
146 HG3 MET 19 HG1 MET 19 50.807 20.574 1.101
147 HE1 MET 19 HE1 MET 19 47.352 21.348 0.615
148 HE2 MET 19 HE2 MET 19 47.583 22.695 1.755
149 HE3 MET 19 HE3 MET 19 48.403 21.140 2.036
150 H ILE 20 HN ILE 20 51.111 22.717 -4.442
151 HA ILE 20 HA ILE 20 51.726 24.892 -4.970
152 HB ILE 20 HB ILE 20 50.266 25.503 -2.344
153 HG12 ILE 20 HG12 ILE 20 48.584 26.471 -3.916
154 HG13 ILE 20 HG11 ILE 20 49.584 25.937 -5.287
155 HG21 ILE 20 HG21 ILE 20 51.638 27.351 -4.331
156 HG22 ILE 20 HG22 ILE 20 51.847 27.284 -2.565
157 HG23 ILE 20 HG23 ILE 20 50.335 27.911 -3.257
158 HD11 ILE 20 HD1 ILE 20 49.150 23.651 -4.881
159 HD12 ILE 20 HD2 ILE 20 47.592 24.412 -4.489
160 HD13 ILE 20 HD3 ILE 20 48.698 23.934 -3.181
161 H GLN 21 HN GLN 21 52.660 23.092 -2.285
162 HA GLN 21 HA GLN 21 54.970 24.974 -1.625
163 HB2 GLN 21 HB2 GLN 21 53.447 23.865 0.192
164 HB3 GLN 21 HB1 GLN 21 54.328 22.369 -0.191
165 HG2 GLN 21 HG2 GLN 21 56.485 23.560 0.245
166 HG3 GLN 21 HG1 GLN 21 55.562 25.006 0.720
167 HE21 GLN 21 HE21 GLN 21 57.316 23.672 2.569
168 HE22 GLN 21 HE22 GLN 21 56.313 22.945 3.830
169 H ASN 22 HN ASN 22 54.201 21.552 -2.396
170 HA ASN 22 HA ASN 22 56.993 20.940 -3.005
171 HB2 ASN 22 HB2 ASN 22 54.311 19.545 -3.162
172 HB3 ASN 22 HB1 ASN 22 55.638 18.908 -4.167
173 HD21 ASN 22 HD21 ASN 22 54.171 18.412 -1.236
174 HD22 ASN 22 HD22 ASN 22 55.561 17.838 -0.309
175 H HIS 23 HN HIS 23 54.139 22.278 -4.545
176 HA HIS 23 HA HIS 23 53.839 23.123 -6.691
177 HB2 HIS 23 HB2 HIS 23 55.890 24.408 -6.106
178 HB3 HIS 23 HB1 HIS 23 56.879 23.121 -6.837
179 HD1 HIS 23 HD1 HIS 23 55.751 22.459 -9.435
180 HD2 HIS 23 HD2 HIS 23 55.617 26.402 -7.980
181 HE1 HIS 23 HE1 HIS 23 55.388 24.000 -11.442
182 H HIS 24 HN HIS 24 56.884 21.394 -7.413
183 HA HIS 24 HA HIS 24 55.803 20.209 -9.793
184 HB2 HIS 24 HB2 HIS 24 57.865 18.775 -9.693
185 HB3 HIS 24 HB1 HIS 24 58.196 20.519 -9.544
186 HD1 HIS 24 HD1 HIS 24 59.497 21.259 -7.535
187 HD2 HIS 24 HD2 HIS 24 57.729 17.487 -6.974
188 HE1 HIS 24 HE1 HIS 24 60.345 20.346 -5.304
Start of MODEL 19
1 H1 PHE 1 HT1 PHE 1 54.456 0.139 -8.192
2 H2 PHE 1 HT2 PHE 1 54.454 -1.021 -6.951
3 H3 PHE 1 HT3 PHE 1 53.778 -1.389 -8.466
4 HA PHE 1 HA PHE 1 55.992 -2.368 -8.033
5 HB2 PHE 1 HB2 PHE 1 55.708 -0.440 -10.374
6 HB3 PHE 1 HB1 PHE 1 56.819 -1.829 -10.292
7 HD1 PHE 1 HD1 PHE 1 53.265 -0.780 -10.521
8 HD2 PHE 1 HD2 PHE 1 55.998 -4.121 -10.472
9 HE1 PHE 1 HE1 PHE 1 51.443 -2.282 -11.317
10 HE2 PHE 1 HE2 PHE 1 54.175 -5.623 -11.267
11 HZ PHE 1 HZ PHE 1 51.925 -4.682 -11.779
12 H LEU 2 HN LEU 2 55.614 1.047 -7.642
13 HA LEU 2 HA LEU 2 58.422 1.755 -7.794
14 HB2 LEU 2 HB2 LEU 2 56.305 3.210 -6.175
15 HB3 LEU 2 HB1 LEU 2 57.754 3.880 -6.964
16 HG LEU 2 HG LEU 2 55.317 2.698 -8.369
17 HD11 LEU 2 HD11 LEU 2 54.944 4.940 -7.400
18 HD12 LEU 2 HD12 LEU 2 55.021 5.030 -9.176
19 HD13 LEU 2 HD13 LEU 2 56.418 5.538 -8.196
20 HD21 LEU 2 HD21 LEU 2 56.555 3.696 -10.421
21 HD22 LEU 2 HD22 LEU 2 57.195 2.179 -9.753
22 HD23 LEU 2 HD23 LEU 2 58.001 3.723 -9.383
23 H GLY 3 HN GLY 3 59.704 2.557 -5.958
24 HA2 GLY 3 HA1 GLY 3 60.157 0.566 -4.039
25 HA3 GLY 3 HA2 GLY 3 60.678 2.255 -3.883
26 H ALA 4 HN ALA 4 58.301 3.613 -3.668
27 HA ALA 4 HA ALA 4 56.587 2.344 -1.660
28 HB1 ALA 4 HB1 ALA 4 57.150 3.900 0.167
29 HB2 ALA 4 HB2 ALA 4 58.478 4.569 -0.813
30 HB3 ALA 4 HB3 ALA 4 58.538 2.875 -0.267
31 H LEU 5 HN LEU 5 55.125 4.122 -0.633
32 HA LEU 5 HA LEU 5 53.958 5.574 -2.895
33 HB2 LEU 5 HB2 LEU 5 53.258 5.250 0.042
34 HB3 LEU 5 HB1 LEU 5 52.363 6.376 -1.006
35 HG LEU 5 HG LEU 5 51.855 4.503 -2.565
36 HD11 LEU 5 HD11 LEU 5 52.260 2.138 -1.546
37 HD12 LEU 5 HD12 LEU 5 53.475 2.938 -0.519
38 HD13 LEU 5 HD13 LEU 5 53.647 2.965 -2.291
39 HD21 LEU 5 HD21 LEU 5 50.220 3.386 -1.110
40 HD22 LEU 5 HD22 LEU 5 50.321 5.111 -0.681
41 HD23 LEU 5 HD23 LEU 5 51.125 3.892 0.337
42 H ILE 6 HN ILE 6 56.202 6.754 -3.048
43 HA ILE 6 HA ILE 6 56.498 9.005 -1.123
44 HB ILE 6 HB ILE 6 58.360 9.708 -2.605
45 HG12 ILE 6 HG12 ILE 6 57.364 7.466 -4.430
46 HG13 ILE 6 HG11 ILE 6 57.344 9.205 -4.796
47 HG21 ILE 6 HG21 ILE 6 58.573 7.741 -0.964
48 HG22 ILE 6 HG22 ILE 6 59.804 7.835 -2.243
49 HG23 ILE 6 HG23 ILE 6 58.461 6.675 -2.383
50 HD11 ILE 6 HD1 ILE 6 59.919 9.115 -4.400
51 HD12 ILE 6 HD2 ILE 6 59.285 8.415 -5.906
52 HD13 ILE 6 HD3 ILE 6 59.736 7.351 -4.553
53 H LYS 7 HN LYS 7 57.293 10.931 -3.279
54 HA LYS 7 HA LYS 7 56.170 12.827 -4.034
55 HB2 LYS 7 HB2 LYS 7 55.233 11.118 -5.774
56 HB3 LYS 7 HB1 LYS 7 53.798 11.029 -4.725
57 HG2 LYS 7 HG2 LYS 7 53.456 13.458 -4.947
58 HG3 LYS 7 HG1 LYS 7 54.925 13.588 -5.945
59 HD2 LYS 7 HD2 LYS 7 53.870 11.962 -7.572
60 HD3 LYS 7 HD1 LYS 7 52.368 12.074 -6.622
61 HE2 LYS 7 HE2 LYS 7 52.250 14.491 -7.023
62 HE3 LYS 7 HE1 LYS 7 53.810 14.450 -7.881
63 HZ1 LYS 7 HZ1 LYS 7 52.682 12.752 -9.384
64 HZ2 LYS 7 HZ2 LYS 7 52.204 14.373 -9.552
65 HZ3 LYS 7 HZ3 LYS 7 51.217 13.276 -8.708
66 H GLY 8 HN GLY 8 56.201 11.460 -1.699
67 HA2 GLY 8 HA1 GLY 8 55.348 11.048 0.305
68 HA3 GLY 8 HA2 GLY 8 55.076 12.833 0.308
69 H ALA 9 HN ALA 9 53.673 9.730 -0.661
70 HA ALA 9 HA ALA 9 51.542 8.900 -0.467
71 HB1 ALA 9 HB1 ALA 9 50.001 9.808 1.058
72 HB2 ALA 9 HB2 ALA 9 50.558 11.476 0.795
73 HB3 ALA 9 HB3 ALA 9 51.564 10.335 1.717
74 H ILE 10 HN ILE 10 51.870 9.214 -2.797
75 HA ILE 10 HA ILE 10 51.385 10.187 -4.857
76 HB ILE 10 HB ILE 10 48.881 10.261 -5.319
77 HG12 ILE 10 HG12 ILE 10 48.372 10.744 -2.786
78 HG13 ILE 10 HG11 ILE 10 47.280 9.702 -3.697
79 HG21 ILE 10 HG21 ILE 10 50.369 7.839 -4.275
80 HG22 ILE 10 HG22 ILE 10 49.905 8.257 -5.936
81 HG23 ILE 10 HG23 ILE 10 48.674 7.680 -4.791
82 HD11 ILE 10 HD1 ILE 10 49.552 8.385 -2.196
83 HD12 ILE 10 HD2 ILE 10 47.933 7.766 -2.564
84 HD13 ILE 10 HD3 ILE 10 48.153 8.972 -1.278
85 H HIS 11 HN HIS 11 48.480 11.788 -4.444
86 HA HIS 11 HA HIS 11 49.837 14.380 -4.810
87 HB2 HIS 11 HB2 HIS 11 47.772 13.736 -6.070
88 HB3 HIS 11 HB1 HIS 11 46.872 13.756 -4.536
89 HD1 HIS 11 HD1 HIS 11 49.550 16.303 -4.737
90 HD2 HIS 11 HD2 HIS 11 45.490 16.063 -5.804
91 HE1 HIS 11 HE1 HIS 11 48.705 18.693 -5.062
92 H GLY 12 HN GLY 12 50.388 13.136 -2.283
93 HA2 GLY 12 HA1 GLY 12 50.491 13.772 -0.062
94 HA3 GLY 12 HA2 GLY 12 49.843 15.352 -0.548
95 H GLY 13 HN GLY 13 48.269 12.211 -1.035
96 HA2 GLY 13 HA1 GLY 13 46.347 11.319 -0.087
97 HA3 GLY 13 HA2 GLY 13 46.571 12.411 1.297
98 H ARG 14 HN ARG 14 45.782 12.633 -2.194
99 HA ARG 14 HA ARG 14 43.219 13.911 -1.554
100 HB2 ARG 14 HB2 ARG 14 45.305 15.665 -1.605
101 HB3 ARG 14 HB1 ARG 14 44.934 15.632 -3.342
102 HG2 ARG 14 HG2 ARG 14 42.984 16.277 -1.078
103 HG3 ARG 14 HG1 ARG 14 43.666 17.431 -2.246
104 HD2 ARG 14 HD2 ARG 14 42.607 15.887 -4.069
105 HD3 ARG 14 HD1 ARG 14 41.648 15.215 -2.727
106 HE ARG 14 HE ARG 14 40.370 17.187 -2.782
107 HH11 ARG 14 HH11 ARG 14 40.955 19.529 -2.235
108 HH12 ARG 14 HH12 ARG 14 41.741 20.363 -3.533
109 HH21 ARG 14 HH21 ARG 14 42.480 17.472 -5.298
110 HH22 ARG 14 HH22 ARG 14 42.604 19.199 -5.268
111 H PHE 15 HN PHE 15 45.633 12.629 -3.751
112 HA PHE 15 HA PHE 15 44.388 12.879 -6.244
113 HB2 PHE 15 HB2 PHE 15 46.587 11.692 -5.684
114 HB3 PHE 15 HB1 PHE 15 45.604 10.272 -5.256
115 HD1 PHE 15 HD1 PHE 15 44.067 9.250 -6.994
116 HD2 PHE 15 HD2 PHE 15 47.008 12.251 -7.983
117 HE1 PHE 15 HE1 PHE 15 43.899 8.621 -9.398
118 HE2 PHE 15 HE2 PHE 15 46.841 11.620 -10.388
119 HZ PHE 15 HZ PHE 15 45.213 9.876 -11.104
120 H ILE 16 HN ILE 16 43.714 10.503 -3.658
121 HA ILE 16 HA ILE 16 41.421 9.415 -5.203
122 HB ILE 16 HB ILE 16 42.271 8.688 -2.365
123 HG12 ILE 16 HG12 ILE 16 43.195 7.572 -5.051
124 HG13 ILE 16 HG11 ILE 16 44.204 8.417 -3.854
125 HG21 ILE 16 HG21 ILE 16 40.853 7.052 -4.508
126 HG22 ILE 16 HG22 ILE 16 39.982 8.010 -3.287
127 HG23 ILE 16 HG23 ILE 16 41.029 6.664 -2.781
128 HD11 ILE 16 HD1 ILE 16 43.427 6.535 -2.201
129 HD12 ILE 16 HD2 ILE 16 44.654 6.132 -3.426
130 HD13 ILE 16 HD3 ILE 16 42.960 5.654 -3.676
131 H HIS 17 HN HIS 17 41.498 10.097 -1.666
132 HA HIS 17 HA HIS 17 39.735 12.381 -1.825
133 HB2 HIS 17 HB2 HIS 17 38.502 9.628 -1.454
134 HB3 HIS 17 HB1 HIS 17 37.790 11.032 -0.631
135 HD1 HIS 17 HD1 HIS 17 38.178 13.190 -2.829
136 HD2 HIS 17 HD2 HIS 17 36.792 9.297 -3.608
137 HE1 HIS 17 HE1 HIS 17 36.834 13.280 -5.000
138 H GLY 18 HN GLY 18 41.879 12.540 -0.524
139 HA2 GLY 18 HA1 GLY 18 42.850 12.767 1.572
140 HA3 GLY 18 HA2 GLY 18 41.217 12.687 2.242
141 H MET 19 HN MET 19 43.275 10.441 0.446
142 HA MET 19 HA MET 19 43.545 8.221 0.927
143 HB2 MET 19 HB2 MET 19 44.190 9.394 3.566
144 HB3 MET 19 HB1 MET 19 44.607 7.725 3.113
145 HG2 MET 19 HG2 MET 19 45.821 8.779 1.074
146 HG3 MET 19 HG1 MET 19 45.661 10.322 1.946
147 HE1 MET 19 HE1 MET 19 47.862 10.146 4.943
148 HE2 MET 19 HE2 MET 19 46.088 10.084 4.814
149 HE3 MET 19 HE3 MET 19 47.024 11.125 3.716
150 H ILE 20 HN ILE 20 40.828 9.321 1.475
151 HA ILE 20 HA ILE 20 38.868 8.453 2.378
152 HB ILE 20 HB ILE 20 40.501 5.885 2.086
153 HG12 ILE 20 HG12 ILE 20 38.695 5.340 0.484
154 HG13 ILE 20 HG11 ILE 20 37.867 6.861 0.894
155 HG21 ILE 20 HG21 ILE 20 37.795 6.219 3.444
156 HG22 ILE 20 HG22 ILE 20 39.244 5.403 4.080
157 HG23 ILE 20 HG23 ILE 20 38.332 4.675 2.738
158 HD11 ILE 20 HD1 ILE 20 40.716 6.749 -0.173
159 HD12 ILE 20 HD2 ILE 20 39.672 8.180 -0.004
160 HD13 ILE 20 HD3 ILE 20 39.287 6.937 -1.216
161 H GLN 21 HN GLN 21 41.912 8.557 3.799
162 HA GLN 21 HA GLN 21 40.810 7.993 6.584
163 HB2 GLN 21 HB2 GLN 21 43.638 8.143 5.470
164 HB3 GLN 21 HB1 GLN 21 43.283 8.115 7.211
165 HG2 GLN 21 HG2 GLN 21 42.028 5.979 6.896
166 HG3 GLN 21 HG1 GLN 21 42.470 5.995 5.173
167 HE21 GLN 21 HE21 GLN 21 44.967 7.383 7.082
168 HE22 GLN 21 HE22 GLN 21 45.998 5.951 7.184
169 H ASN 22 HN ASN 22 42.651 10.370 4.592
170 HA ASN 22 HA ASN 22 42.464 12.396 6.717
171 HB2 ASN 22 HB2 ASN 22 43.501 12.270 3.863
172 HB3 ASN 22 HB1 ASN 22 43.225 13.853 4.631
173 HD21 ASN 22 HD21 ASN 22 45.627 14.171 4.514
174 HD22 ASN 22 HD22 ASN 22 46.645 13.393 5.732
175 H HIS 23 HN HIS 23 40.777 11.186 3.875
176 HA HIS 23 HA HIS 23 38.833 11.977 2.818
177 HB2 HIS 23 HB2 HIS 23 36.937 12.255 4.349
178 HB3 HIS 23 HB1 HIS 23 37.969 10.902 4.866
179 HD1 HIS 23 HD1 HIS 23 39.319 11.149 7.053
180 HD2 HIS 23 HD2 HIS 23 37.142 14.596 6.026
181 HE1 HIS 23 HE1 HIS 23 39.325 12.689 9.093
182 H HIS 24 HN HIS 24 40.947 14.067 3.418
183 HA HIS 24 HA HIS 24 41.159 16.371 3.232
184 HB2 HIS 24 HB2 HIS 24 39.930 15.861 1.112
185 HB3 HIS 24 HB1 HIS 24 38.400 16.191 1.959
186 HD1 HIS 24 HD1 HIS 24 41.110 18.345 3.183
187 HD2 HIS 24 HD2 HIS 24 38.372 18.461 -0.008
188 HE1 HIS 24 HE1 HIS 24 41.021 20.757 2.344
Start of MODEL 20
1 H1 PHE 1 HT1 PHE 1 57.724 8.090 7.506
2 H2 PHE 1 HT2 PHE 1 58.936 8.654 8.555
3 H3 PHE 1 HT3 PHE 1 58.395 7.046 8.661
4 HA PHE 1 HA PHE 1 60.440 8.141 7.092
5 HB2 PHE 1 HB2 PHE 1 60.948 5.767 6.724
6 HB3 PHE 1 HB1 PHE 1 60.539 6.053 8.433
7 HD1 PHE 1 HD1 PHE 1 58.374 5.309 9.360
8 HD2 PHE 1 HD2 PHE 1 59.444 4.524 5.252
9 HE1 PHE 1 HE1 PHE 1 56.530 3.640 9.198
10 HE2 PHE 1 HE2 PHE 1 57.600 2.855 5.091
11 HZ PHE 1 HZ PHE 1 56.178 2.376 7.079
12 H LEU 2 HN LEU 2 60.792 8.147 4.908
13 HA LEU 2 HA LEU 2 58.430 8.321 3.227
14 HB2 LEU 2 HB2 LEU 2 61.423 8.407 2.719
15 HB3 LEU 2 HB1 LEU 2 60.256 8.447 1.378
16 HG LEU 2 HG LEU 2 59.199 10.455 2.298
17 HD11 LEU 2 HD11 LEU 2 59.364 10.203 4.658
18 HD12 LEU 2 HD12 LEU 2 60.436 11.573 4.294
19 HD13 LEU 2 HD13 LEU 2 61.127 9.962 4.602
20 HD21 LEU 2 HD21 LEU 2 61.016 12.019 1.915
21 HD22 LEU 2 HD22 LEU 2 61.283 10.612 0.859
22 HD23 LEU 2 HD23 LEU 2 62.230 10.795 2.355
23 H GLY 3 HN GLY 3 57.422 6.795 2.086
24 HA2 GLY 3 HA1 GLY 3 58.717 4.591 0.833
25 HA3 GLY 3 HA2 GLY 3 58.075 4.040 2.392
26 H ALA 4 HN ALA 4 56.013 6.397 1.803
27 HA ALA 4 HA ALA 4 53.971 4.566 0.765
28 HB1 ALA 4 HB1 ALA 4 53.499 6.231 2.537
29 HB2 ALA 4 HB2 ALA 4 52.450 6.447 1.115
30 HB3 ALA 4 HB3 ALA 4 53.830 7.539 1.377
31 H LEU 5 HN LEU 5 55.730 4.545 -1.208
32 HA LEU 5 HA LEU 5 56.045 5.016 -3.460
33 HB2 LEU 5 HB2 LEU 5 53.086 5.578 -3.069
34 HB3 LEU 5 HB1 LEU 5 53.850 5.762 -4.665
35 HG LEU 5 HG LEU 5 54.555 3.434 -4.668
36 HD11 LEU 5 HD11 LEU 5 55.148 3.011 -2.390
37 HD12 LEU 5 HD12 LEU 5 53.757 1.951 -2.710
38 HD13 LEU 5 HD13 LEU 5 53.532 3.466 -1.801
39 HD21 LEU 5 HD21 LEU 5 52.175 4.022 -5.295
40 HD22 LEU 5 HD22 LEU 5 51.685 3.570 -3.644
41 HD23 LEU 5 HD23 LEU 5 52.379 2.345 -4.733
42 H ILE 6 HN ILE 6 56.172 7.230 -1.284
43 HA ILE 6 HA ILE 6 56.287 9.600 -1.182
44 HB ILE 6 HB ILE 6 58.065 10.456 -2.681
45 HG12 ILE 6 HG12 ILE 6 57.939 7.745 -4.093
46 HG13 ILE 6 HG11 ILE 6 57.270 9.244 -4.771
47 HG21 ILE 6 HG21 ILE 6 58.753 7.601 -1.885
48 HG22 ILE 6 HG22 ILE 6 58.532 8.910 -0.699
49 HG23 ILE 6 HG23 ILE 6 59.826 9.021 -1.913
50 HD11 ILE 6 HD1 ILE 6 59.434 9.071 -5.732
51 HD12 ILE 6 HD2 ILE 6 60.171 8.558 -4.198
52 HD13 ILE 6 HD3 ILE 6 59.641 10.245 -4.413
53 H LYS 7 HN LYS 7 56.897 11.215 -3.728
54 HA LYS 7 HA LYS 7 55.517 12.766 -4.787
55 HB2 LYS 7 HB2 LYS 7 53.916 10.209 -5.245
56 HB3 LYS 7 HB1 LYS 7 53.269 11.790 -5.741
57 HG2 LYS 7 HG2 LYS 7 55.138 12.179 -7.223
58 HG3 LYS 7 HG1 LYS 7 56.009 10.764 -6.587
59 HD2 LYS 7 HD2 LYS 7 54.948 10.254 -8.771
60 HD3 LYS 7 HD1 LYS 7 54.247 9.268 -7.468
61 HE2 LYS 7 HE2 LYS 7 52.236 10.514 -7.436
62 HE3 LYS 7 HE1 LYS 7 52.977 11.916 -8.247
63 HZ1 LYS 7 HZ1 LYS 7 53.304 10.344 -10.197
64 HZ2 LYS 7 HZ2 LYS 7 51.716 10.855 -9.881
65 HZ3 LYS 7 HZ3 LYS 7 52.219 9.300 -9.416
66 H GLY 8 HN GLY 8 55.712 11.890 -2.236
67 HA2 GLY 8 HA1 GLY 8 54.879 11.731 -0.182
68 HA3 GLY 8 HA2 GLY 8 54.349 13.425 -0.516
69 H ALA 9 HN ALA 9 53.470 10.055 -0.295
70 HA ALA 9 HA ALA 9 51.440 8.986 -0.113
71 HB1 ALA 9 HB1 ALA 9 51.234 10.492 1.840
72 HB2 ALA 9 HB2 ALA 9 49.654 10.170 1.083
73 HB3 ALA 9 HB3 ALA 9 50.477 11.722 0.801
74 H ILE 10 HN ILE 10 52.088 9.765 -2.663
75 HA ILE 10 HA ILE 10 51.095 9.836 -4.732
76 HB ILE 10 HB ILE 10 48.926 8.955 -3.088
77 HG12 ILE 10 HG12 ILE 10 47.899 8.329 -5.402
78 HG13 ILE 10 HG11 ILE 10 49.352 9.079 -6.101
79 HG21 ILE 10 HG21 ILE 10 47.897 11.072 -5.027
80 HG22 ILE 10 HG22 ILE 10 47.952 11.269 -3.259
81 HG23 ILE 10 HG23 ILE 10 46.926 10.010 -3.982
82 HD11 ILE 10 HD1 ILE 10 50.790 7.528 -4.829
83 HD12 ILE 10 HD2 ILE 10 49.604 6.613 -5.785
84 HD13 ILE 10 HD3 ILE 10 49.360 6.829 -4.036
85 H HIS 11 HN HIS 11 49.958 12.150 -2.307
86 HA HIS 11 HA HIS 11 50.783 14.388 -3.928
87 HB2 HIS 11 HB2 HIS 11 48.691 13.771 -5.156
88 HB3 HIS 11 HB1 HIS 11 47.775 14.001 -3.648
89 HD1 HIS 11 HD1 HIS 11 49.568 15.860 -6.391
90 HD2 HIS 11 HD2 HIS 11 47.615 16.740 -2.770
91 HE1 HIS 11 HE1 HIS 11 49.168 18.383 -6.334
92 H GLY 12 HN GLY 12 49.442 12.870 -1.172
93 HA2 GLY 12 HA1 GLY 12 50.411 14.287 0.856
94 HA3 GLY 12 HA2 GLY 12 49.144 15.421 0.342
95 H GLY 13 HN GLY 13 48.553 12.058 -0.184
96 HA2 GLY 13 HA1 GLY 13 47.095 10.576 0.825
97 HA3 GLY 13 HA2 GLY 13 47.425 11.391 2.369
98 H ARG 14 HN ARG 14 45.779 12.044 -0.730
99 HA ARG 14 HA ARG 14 43.267 12.635 0.738
100 HB2 ARG 14 HB2 ARG 14 44.966 14.756 0.103
101 HB3 ARG 14 HB1 ARG 14 43.923 14.707 -1.330
102 HG2 ARG 14 HG2 ARG 14 42.906 14.810 1.552
103 HG3 ARG 14 HG1 ARG 14 43.062 16.221 0.483
104 HD2 ARG 14 HD2 ARG 14 41.437 15.344 -1.063
105 HD3 ARG 14 HD1 ARG 14 41.423 13.760 -0.249
106 HE ARG 14 HE ARG 14 40.447 16.272 1.102
107 HH11 ARG 14 HH11 ARG 14 40.683 12.915 1.299
108 HH12 ARG 14 HH12 ARG 14 39.044 12.658 1.792
109 HH21 ARG 14 HH21 ARG 14 38.101 15.959 1.309
110 HH22 ARG 14 HH22 ARG 14 37.582 14.381 1.797
111 H PHE 15 HN PHE 15 45.010 12.584 -2.390
112 HA PHE 15 HA PHE 15 42.576 11.869 -3.864
113 HB2 PHE 15 HB2 PHE 15 45.538 11.881 -4.575
114 HB3 PHE 15 HB1 PHE 15 44.260 11.397 -5.716
115 HD1 PHE 15 HD1 PHE 15 43.059 13.053 -6.937
116 HD2 PHE 15 HD2 PHE 15 45.330 14.203 -3.451
117 HE1 PHE 15 HE1 PHE 15 42.627 15.451 -7.447
118 HE2 PHE 15 HE2 PHE 15 44.896 16.602 -3.962
119 HZ PHE 15 HZ PHE 15 43.472 17.221 -5.910
120 H ILE 16 HN ILE 16 41.694 9.913 -3.942
121 HA ILE 16 HA ILE 16 41.418 7.676 -3.348
122 HB ILE 16 HB ILE 16 42.864 6.113 -4.633
123 HG12 ILE 16 HG12 ILE 16 44.360 8.617 -5.552
124 HG13 ILE 16 HG11 ILE 16 45.001 7.474 -4.352
125 HG21 ILE 16 HG21 ILE 16 42.127 8.548 -6.309
126 HG22 ILE 16 HG22 ILE 16 40.921 7.425 -5.637
127 HG23 ILE 16 HG23 ILE 16 42.125 6.840 -6.806
128 HD11 ILE 16 HD1 ILE 16 44.582 5.647 -6.152
129 HD12 ILE 16 HD2 ILE 16 45.943 6.761 -6.409
130 HD13 ILE 16 HD3 ILE 16 44.420 7.002 -7.293
131 H HIS 17 HN HIS 17 42.583 8.987 -1.222
132 HA HIS 17 HA HIS 17 44.268 6.790 -0.073
133 HB2 HIS 17 HB2 HIS 17 45.759 8.694 -0.747
134 HB3 HIS 17 HB1 HIS 17 44.813 9.762 0.319
135 HD1 HIS 17 HD1 HIS 17 47.194 6.803 0.375
136 HD2 HIS 17 HD2 HIS 17 45.252 9.356 3.096
137 HE1 HIS 17 HE1 HIS 17 48.239 6.404 2.672
138 H GLY 18 HN GLY 18 42.090 9.579 0.322
139 HA2 GLY 18 HA1 GLY 18 41.677 9.666 3.063
140 HA3 GLY 18 HA2 GLY 18 40.363 9.831 1.870
141 H MET 19 HN MET 19 40.802 7.248 0.769
142 HA MET 19 HA MET 19 40.681 4.984 2.089
143 HB2 MET 19 HB2 MET 19 38.349 6.555 3.080
144 HB3 MET 19 HB1 MET 19 38.093 4.833 2.775
145 HG2 MET 19 HG2 MET 19 39.381 4.162 4.571
146 HG3 MET 19 HG1 MET 19 40.555 5.479 4.379
147 HE1 MET 19 HE1 MET 19 36.359 5.809 6.279
148 HE2 MET 19 HE2 MET 19 37.093 4.342 5.588
149 HE3 MET 19 HE3 MET 19 36.630 5.692 4.523
150 H ILE 20 HN ILE 20 40.342 6.720 -0.358
151 HA ILE 20 HA ILE 20 39.510 6.386 -2.488
152 HB ILE 20 HB ILE 20 39.183 3.506 -1.488
153 HG12 ILE 20 HG12 ILE 20 41.000 3.099 -3.140
154 HG13 ILE 20 HG11 ILE 20 41.020 4.834 -3.531
155 HG21 ILE 20 HG21 ILE 20 38.794 3.031 -3.996
156 HG22 ILE 20 HG22 ILE 20 38.414 4.763 -4.145
157 HG23 ILE 20 HG23 ILE 20 37.429 3.721 -3.091
158 HD11 ILE 20 HD1 ILE 20 42.761 3.932 -1.798
159 HD12 ILE 20 HD2 ILE 20 41.388 3.889 -0.666
160 HD13 ILE 20 HD3 ILE 20 41.885 5.430 -1.409
161 H GLN 21 HN GLN 21 38.015 6.124 0.467
162 HA GLN 21 HA GLN 21 35.226 6.343 -0.767
163 HB2 GLN 21 HB2 GLN 21 35.642 4.411 0.811
164 HB3 GLN 21 HB1 GLN 21 35.962 5.603 2.091
165 HG2 GLN 21 HG2 GLN 21 33.722 6.519 1.894
166 HG3 GLN 21 HG1 GLN 21 33.388 5.521 0.459
167 HE21 GLN 21 HE21 GLN 21 31.890 5.486 3.037
168 HE22 GLN 21 HE22 GLN 21 32.060 3.841 3.659
169 H ASN 22 HN ASN 22 37.704 7.835 1.294
170 HA ASN 22 HA ASN 22 35.796 10.099 1.879
171 HB2 ASN 22 HB2 ASN 22 36.824 9.085 3.869
172 HB3 ASN 22 HB1 ASN 22 38.442 9.322 3.172
173 HD21 ASN 22 HD21 ASN 22 35.674 10.955 4.689
174 HD22 ASN 22 HD22 ASN 22 36.479 12.516 4.878
175 H HIS 23 HN HIS 23 38.546 9.039 0.085
176 HA HIS 23 HA HIS 23 40.103 11.302 -0.281
177 HB2 HIS 23 HB2 HIS 23 40.584 10.467 -2.536
178 HB3 HIS 23 HB1 HIS 23 40.465 9.106 -1.398
179 HD1 HIS 23 HD1 HIS 23 37.257 9.160 -1.256
180 HD2 HIS 23 HD2 HIS 23 39.537 9.156 -4.784
181 HE1 HIS 23 HE1 HIS 23 35.795 8.177 -3.106
182 H HIS 24 HN HIS 24 40.170 12.998 -1.874
183 HA HIS 24 HA HIS 24 37.854 13.654 -3.471
184 HB2 HIS 24 HB2 HIS 24 36.920 14.137 -1.202
185 HB3 HIS 24 HB1 HIS 24 38.228 15.317 -0.950
186 HD1 HIS 24 HD1 HIS 24 38.400 17.194 -3.024
187 HD2 HIS 24 HD2 HIS 24 34.719 15.240 -2.459
188 HE1 HIS 24 HE1 HIS 24 36.600 18.620 -4.144
Start of MODEL 21
1 H1 PHE 1 HT1 PHE 1 56.500 2.819 -12.948
2 H2 PHE 1 HT2 PHE 1 57.608 1.592 -13.342
3 H3 PHE 1 HT3 PHE 1 58.161 3.156 -12.973
4 HA PHE 1 HA PHE 1 56.622 1.568 -11.044
5 HB2 PHE 1 HB2 PHE 1 58.841 0.920 -10.065
6 HB3 PHE 1 HB1 PHE 1 58.512 0.170 -11.645
7 HD1 PHE 1 HD1 PHE 1 59.598 1.063 -13.715
8 HD2 PHE 1 HD2 PHE 1 60.635 2.522 -9.788
9 HE1 PHE 1 HE1 PHE 1 61.678 2.076 -14.641
10 HE2 PHE 1 HE2 PHE 1 62.714 3.535 -10.713
11 HZ PHE 1 HZ PHE 1 63.262 3.267 -13.128
12 H LEU 2 HN LEU 2 55.962 2.951 -9.550
13 HA LEU 2 HA LEU 2 57.099 5.612 -9.317
14 HB2 LEU 2 HB2 LEU 2 55.344 4.247 -7.248
15 HB3 LEU 2 HB1 LEU 2 55.454 5.979 -7.643
16 HG LEU 2 HG LEU 2 54.338 3.777 -9.434
17 HD11 LEU 2 HD11 LEU 2 52.215 5.036 -9.141
18 HD12 LEU 2 HD12 LEU 2 53.041 6.160 -8.037
19 HD13 LEU 2 HD13 LEU 2 52.845 4.449 -7.585
20 HD21 LEU 2 HD21 LEU 2 54.880 6.739 -9.900
21 HD22 LEU 2 HD22 LEU 2 53.669 5.843 -10.848
22 HD23 LEU 2 HD23 LEU 2 55.377 5.355 -10.902
23 H GLY 3 HN GLY 3 58.244 2.639 -8.344
24 HA2 GLY 3 HA1 GLY 3 60.127 2.166 -7.055
25 HA3 GLY 3 HA2 GLY 3 60.231 3.878 -6.597
26 H ALA 4 HN ALA 4 57.930 4.431 -5.337
27 HA ALA 4 HA ALA 4 57.106 2.371 -3.475
28 HB1 ALA 4 HB1 ALA 4 58.882 4.536 -2.307
29 HB2 ALA 4 HB2 ALA 4 59.456 2.892 -2.683
30 HB3 ALA 4 HB3 ALA 4 58.174 3.133 -1.472
31 H LEU 5 HN LEU 5 55.787 3.337 -1.648
32 HA LEU 5 HA LEU 5 53.987 5.313 -2.817
33 HB2 LEU 5 HB2 LEU 5 54.137 3.863 -0.152
34 HB3 LEU 5 HB1 LEU 5 52.926 5.132 -0.449
35 HG LEU 5 HG LEU 5 52.071 3.893 -2.399
36 HD11 LEU 5 HD11 LEU 5 54.365 2.014 -1.715
37 HD12 LEU 5 HD12 LEU 5 53.965 2.757 -3.283
38 HD13 LEU 5 HD13 LEU 5 52.946 1.453 -2.633
39 HD21 LEU 5 HD21 LEU 5 51.023 2.072 -1.182
40 HD22 LEU 5 HD22 LEU 5 51.251 3.423 -0.046
41 HD23 LEU 5 HD23 LEU 5 52.354 2.027 -0.003
42 H ILE 6 HN ILE 6 55.056 7.245 -3.114
43 HA ILE 6 HA ILE 6 55.403 8.863 -0.625
44 HB ILE 6 HB ILE 6 57.677 9.652 -1.316
45 HG12 ILE 6 HG12 ILE 6 57.454 7.427 -3.398
46 HG13 ILE 6 HG11 ILE 6 57.508 9.172 -3.736
47 HG21 ILE 6 HG21 ILE 6 57.297 7.675 0.266
48 HG22 ILE 6 HG22 ILE 6 58.904 7.769 -0.488
49 HG23 ILE 6 HG23 ILE 6 57.697 6.617 -1.109
50 HD11 ILE 6 HD1 ILE 6 59.743 8.454 -4.082
51 HD12 ILE 6 HD2 ILE 6 59.714 7.380 -2.666
52 HD13 ILE 6 HD3 ILE 6 59.774 9.147 -2.444
53 H LYS 7 HN LYS 7 56.962 10.891 -2.266
54 HA LYS 7 HA LYS 7 56.190 12.860 -3.242
55 HB2 LYS 7 HB2 LYS 7 55.883 11.276 -5.296
56 HB3 LYS 7 HB1 LYS 7 54.176 11.175 -4.805
57 HG2 LYS 7 HG2 LYS 7 53.909 13.588 -5.034
58 HG3 LYS 7 HG1 LYS 7 55.648 13.789 -5.353
59 HD2 LYS 7 HD2 LYS 7 55.483 12.581 -7.442
60 HD3 LYS 7 HD1 LYS 7 53.806 12.096 -7.092
61 HE2 LYS 7 HE2 LYS 7 54.776 14.962 -7.484
62 HE3 LYS 7 HE1 LYS 7 53.879 13.999 -8.683
63 HZ1 LYS 7 HZ1 LYS 7 52.867 15.503 -6.529
64 HZ2 LYS 7 HZ2 LYS 7 52.488 13.867 -6.263
65 HZ3 LYS 7 HZ3 LYS 7 52.011 14.630 -7.705
66 H GLY 8 HN GLY 8 55.409 11.388 -1.110
67 HA2 GLY 8 HA1 GLY 8 53.904 10.895 0.447
68 HA3 GLY 8 HA2 GLY 8 53.682 12.686 0.466
69 H ALA 9 HN ALA 9 52.465 9.590 -0.567
70 HA ALA 9 HA ALA 9 50.499 8.936 -1.599
71 HB1 ALA 9 HB1 ALA 9 49.816 9.224 0.723
72 HB2 ALA 9 HB2 ALA 9 48.493 9.714 -0.361
73 HB3 ALA 9 HB3 ALA 9 49.492 10.950 0.439
74 H ILE 10 HN ILE 10 51.757 10.708 -3.229
75 HA ILE 10 HA ILE 10 51.473 12.452 -4.751
76 HB ILE 10 HB ILE 10 49.153 12.028 -6.078
77 HG12 ILE 10 HG12 ILE 10 49.537 9.469 -4.447
78 HG13 ILE 10 HG11 ILE 10 48.192 10.611 -4.258
79 HG21 ILE 10 HG21 ILE 10 51.337 9.896 -6.027
80 HG22 ILE 10 HG22 ILE 10 51.506 11.469 -6.842
81 HG23 ILE 10 HG23 ILE 10 50.273 10.316 -7.388
82 HD11 ILE 10 HD1 ILE 10 47.837 10.205 -6.852
83 HD12 ILE 10 HD2 ILE 10 47.248 9.000 -5.682
84 HD13 ILE 10 HD3 ILE 10 48.774 8.722 -6.549
85 H HIS 11 HN HIS 11 47.981 12.317 -4.443
86 HA HIS 11 HA HIS 11 47.679 15.093 -4.219
87 HB2 HIS 11 HB2 HIS 11 45.404 14.519 -3.222
88 HB3 HIS 11 HB1 HIS 11 45.782 13.762 -4.787
89 HD1 HIS 11 HD1 HIS 11 45.247 11.337 -4.868
90 HD2 HIS 11 HD2 HIS 11 46.233 12.596 -0.978
91 HE1 HIS 11 HE1 HIS 11 45.086 9.294 -3.342
92 H GLY 12 HN GLY 12 49.090 13.031 -1.911
93 HA2 GLY 12 HA1 GLY 12 48.057 14.303 0.482
94 HA3 GLY 12 HA2 GLY 12 49.526 13.316 0.359
95 H GLY 13 HN GLY 13 49.670 15.633 -2.001
96 HA2 GLY 13 HA1 GLY 13 50.505 17.927 -0.439
97 HA3 GLY 13 HA2 GLY 13 51.896 16.986 -1.017
98 H ARG 14 HN ARG 14 50.259 16.115 -3.418
99 HA ARG 14 HA ARG 14 51.119 18.299 -5.140
100 HB2 ARG 14 HB2 ARG 14 50.863 15.669 -5.565
101 HB3 ARG 14 HB1 ARG 14 49.228 16.128 -6.086
102 HG2 ARG 14 HG2 ARG 14 51.848 17.264 -7.175
103 HG3 ARG 14 HG1 ARG 14 50.785 16.105 -8.006
104 HD2 ARG 14 HD2 ARG 14 48.923 17.883 -7.736
105 HD3 ARG 14 HD1 ARG 14 50.237 19.013 -7.327
106 HE ARG 14 HE ARG 14 50.770 19.071 -9.616
107 HH11 ARG 14 HH11 ARG 14 51.777 16.905 -10.729
108 HH12 ARG 14 HH12 ARG 14 50.516 16.021 -11.522
109 HH21 ARG 14 HH21 ARG 14 47.957 17.625 -9.818
110 HH22 ARG 14 HH22 ARG 14 48.353 16.429 -11.007
111 H PHE 15 HN PHE 15 47.912 16.883 -4.326
112 HA PHE 15 HA PHE 15 46.209 18.547 -5.716
113 HB2 PHE 15 HB2 PHE 15 45.555 16.698 -4.155
114 HB3 PHE 15 HB1 PHE 15 45.846 17.801 -2.789
115 HD1 PHE 15 HD1 PHE 15 44.079 19.197 -2.042
116 HD2 PHE 15 HD2 PHE 15 43.961 17.588 -6.047
117 HE1 PHE 15 HE1 PHE 15 41.800 20.151 -2.360
118 HE2 PHE 15 HE2 PHE 15 41.683 18.544 -6.363
119 HZ PHE 15 HZ PHE 15 40.575 19.762 -4.494
120 H ILE 16 HN ILE 16 46.878 20.624 -6.075
121 HA ILE 16 HA ILE 16 47.530 22.813 -5.542
122 HB ILE 16 HB ILE 16 45.690 24.022 -4.315
123 HG12 ILE 16 HG12 ILE 16 44.396 21.255 -4.175
124 HG13 ILE 16 HG11 ILE 16 45.146 22.056 -2.781
125 HG21 ILE 16 HG21 ILE 16 44.608 22.048 -6.371
126 HG22 ILE 16 HG22 ILE 16 45.664 23.408 -6.805
127 HG23 ILE 16 HG23 ILE 16 44.076 23.718 -6.073
128 HD11 ILE 16 HD1 ILE 16 42.690 22.903 -4.352
129 HD12 ILE 16 HD2 ILE 16 43.571 24.052 -3.316
130 HD13 ILE 16 HD3 ILE 16 42.839 22.594 -2.608
131 H HIS 17 HN HIS 17 49.293 21.515 -4.163
132 HA HIS 17 HA HIS 17 49.646 23.169 -1.772
133 HB2 HIS 17 HB2 HIS 17 49.149 20.177 -1.511
134 HB3 HIS 17 HB1 HIS 17 49.995 21.128 -0.268
135 HD1 HIS 17 HD1 HIS 17 48.407 23.672 -0.075
136 HD2 HIS 17 HD2 HIS 17 46.564 19.923 -0.580
137 HE1 HIS 17 HE1 HIS 17 46.001 23.887 0.763
138 H GLY 18 HN GLY 18 50.601 21.062 -4.256
139 HA2 GLY 18 HA1 GLY 18 53.483 21.555 -3.619
140 HA3 GLY 18 HA2 GLY 18 52.933 19.899 -3.963
141 H MET 19 HN MET 19 52.072 23.073 -5.295
142 HA MET 19 HA MET 19 53.430 22.865 -7.807
143 HB2 MET 19 HB2 MET 19 51.957 21.024 -8.127
144 HB3 MET 19 HB1 MET 19 50.589 22.038 -7.697
145 HG2 MET 19 HG2 MET 19 50.829 23.374 -9.685
146 HG3 MET 19 HG1 MET 19 52.428 22.676 -10.030
147 HE1 MET 19 HE1 MET 19 48.757 22.644 -10.601
148 HE2 MET 19 HE2 MET 19 48.744 21.537 -9.207
149 HE3 MET 19 HE3 MET 19 48.268 20.946 -10.816
150 H ILE 20 HN ILE 20 50.191 23.703 -6.467
151 HA ILE 20 HA ILE 20 50.273 26.369 -7.705
152 HB ILE 20 HB ILE 20 48.605 25.078 -5.488
153 HG12 ILE 20 HG12 ILE 20 46.764 25.481 -7.010
154 HG13 ILE 20 HG11 ILE 20 47.768 26.523 -8.041
155 HG21 ILE 20 HG21 ILE 20 48.768 28.030 -6.229
156 HG22 ILE 20 HG22 ILE 20 48.932 27.297 -4.615
157 HG23 ILE 20 HG23 ILE 20 47.347 27.321 -5.425
158 HD11 ILE 20 HD1 ILE 20 48.489 23.609 -7.550
159 HD12 ILE 20 HD2 ILE 20 49.051 24.688 -8.848
160 HD13 ILE 20 HD3 ILE 20 47.375 24.092 -8.849
161 H GLN 21 HN GLN 21 51.851 24.572 -5.464
162 HA GLN 21 HA GLN 21 53.107 26.911 -4.115
163 HB2 GLN 21 HB2 GLN 21 52.472 24.133 -3.037
164 HB3 GLN 21 HB1 GLN 21 53.562 25.290 -2.235
165 HG2 GLN 21 HG2 GLN 21 51.679 26.964 -2.217
166 HG3 GLN 21 HG1 GLN 21 50.606 25.698 -2.861
167 HE21 GLN 21 HE21 GLN 21 49.536 26.351 -0.606
168 HE22 GLN 21 HE22 GLN 21 50.058 25.364 0.765
169 H ASN 22 HN ASN 22 53.399 23.835 -6.078
170 HA ASN 22 HA ASN 22 56.436 24.199 -5.722
171 HB2 ASN 22 HB2 ASN 22 55.309 21.946 -5.068
172 HB3 ASN 22 HB1 ASN 22 55.158 21.683 -6.818
173 HD21 ASN 22 HD21 ASN 22 57.795 23.516 -6.907
174 HD22 ASN 22 HD22 ASN 22 59.056 22.309 -6.634
175 H HIS 23 HN HIS 23 54.320 25.458 -7.613
176 HA HIS 23 HA HIS 23 54.121 25.907 -9.902
177 HB2 HIS 23 HB2 HIS 23 56.088 27.231 -9.083
178 HB3 HIS 23 HB1 HIS 23 57.152 25.929 -9.668
179 HD1 HIS 23 HD1 HIS 23 54.195 27.928 -11.136
180 HD2 HIS 23 HD2 HIS 23 58.043 26.594 -12.185
181 HE1 HIS 23 HE1 HIS 23 54.630 28.672 -13.542
182 H HIS 24 HN HIS 24 54.535 22.960 -9.184
183 HA HIS 24 HA HIS 24 54.842 22.058 -11.965
184 HB2 HIS 24 HB2 HIS 24 56.851 21.257 -9.821
185 HB3 HIS 24 HB1 HIS 24 56.632 20.385 -11.358
186 HD1 HIS 24 HD1 HIS 24 58.175 23.426 -9.845
187 HD2 HIS 24 HD2 HIS 24 57.399 21.920 -13.693
188 HE1 HIS 24 HE1 HIS 24 59.504 24.846 -11.500
Start of MODEL 22
1 H1 PHE 1 HT1 PHE 1 55.173 2.132 -11.404
2 H2 PHE 1 HT2 PHE 1 53.492 1.912 -11.289
3 H3 PHE 1 HT3 PHE 1 54.412 0.938 -12.335
4 HA PHE 1 HA PHE 1 53.675 -0.077 -10.181
5 HB2 PHE 1 HB2 PHE 1 55.486 -0.936 -11.724
6 HB3 PHE 1 HB1 PHE 1 56.662 -0.025 -10.749
7 HD1 PHE 1 HD1 PHE 1 54.361 -2.913 -10.829
8 HD2 PHE 1 HD2 PHE 1 57.124 -0.651 -8.406
9 HE1 PHE 1 HE1 PHE 1 54.427 -4.771 -9.169
10 HE2 PHE 1 HE2 PHE 1 57.191 -2.509 -6.746
11 HZ PHE 1 HZ PHE 1 55.792 -4.541 -7.098
12 H LEU 2 HN LEU 2 56.180 2.453 -10.108
13 HA LEU 2 HA LEU 2 56.991 3.726 -8.355
14 HB2 LEU 2 HB2 LEU 2 54.522 2.911 -6.786
15 HB3 LEU 2 HB1 LEU 2 55.466 4.412 -6.657
16 HG LEU 2 HG LEU 2 53.792 3.529 -9.051
17 HD11 LEU 2 HD11 LEU 2 52.579 4.362 -6.982
18 HD12 LEU 2 HD12 LEU 2 52.319 5.351 -8.438
19 HD13 LEU 2 HD13 LEU 2 53.444 5.905 -7.174
20 HD21 LEU 2 HD21 LEU 2 55.623 4.757 -9.961
21 HD22 LEU 2 HD22 LEU 2 55.666 5.885 -8.584
22 HD23 LEU 2 HD23 LEU 2 54.340 5.972 -9.768
23 H GLY 3 HN GLY 3 55.234 1.314 -6.362
24 HA2 GLY 3 HA1 GLY 3 56.056 -0.283 -4.901
25 HA3 GLY 3 HA2 GLY 3 57.606 -0.214 -5.762
26 H ALA 4 HN ALA 4 55.977 2.543 -4.244
27 HA ALA 4 HA ALA 4 57.476 2.420 -1.776
28 HB1 ALA 4 HB1 ALA 4 58.526 4.225 -3.977
29 HB2 ALA 4 HB2 ALA 4 59.402 2.930 -3.126
30 HB3 ALA 4 HB3 ALA 4 58.939 4.413 -2.257
31 H LEU 5 HN LEU 5 56.611 3.773 -0.295
32 HA LEU 5 HA LEU 5 54.250 5.298 -1.096
33 HB2 LEU 5 HB2 LEU 5 55.721 4.835 1.516
34 HB3 LEU 5 HB1 LEU 5 54.377 5.989 1.418
35 HG LEU 5 HG LEU 5 53.763 3.631 2.172
36 HD11 LEU 5 HD11 LEU 5 52.185 5.367 0.994
37 HD12 LEU 5 HD12 LEU 5 51.651 3.680 1.130
38 HD13 LEU 5 HD13 LEU 5 52.294 4.282 -0.409
39 HD21 LEU 5 HD21 LEU 5 53.691 1.837 0.567
40 HD22 LEU 5 HD22 LEU 5 55.330 2.524 0.502
41 HD23 LEU 5 HD23 LEU 5 54.149 2.918 -0.768
42 H ILE 6 HN ILE 6 55.063 6.854 -2.557
43 HA ILE 6 HA ILE 6 55.992 9.307 -1.180
44 HB ILE 6 HB ILE 6 58.095 7.828 -1.842
45 HG12 ILE 6 HG12 ILE 6 59.181 10.104 -2.827
46 HG13 ILE 6 HG11 ILE 6 57.622 10.787 -2.317
47 HG21 ILE 6 HG21 ILE 6 57.958 9.090 -4.575
48 HG22 ILE 6 HG22 ILE 6 56.955 7.646 -4.307
49 HG23 ILE 6 HG23 ILE 6 58.711 7.569 -4.053
50 HD11 ILE 6 HD1 ILE 6 57.980 9.856 -0.032
51 HD12 ILE 6 HD2 ILE 6 59.275 10.979 -0.507
52 HD13 ILE 6 HD3 ILE 6 59.558 9.222 -0.554
53 H LYS 7 HN LYS 7 56.937 10.384 -3.871
54 HA LYS 7 HA LYS 7 55.801 11.790 -5.340
55 HB2 LYS 7 HB2 LYS 7 55.066 9.498 -6.361
56 HB3 LYS 7 HB1 LYS 7 53.557 9.717 -5.441
57 HG2 LYS 7 HG2 LYS 7 53.096 11.817 -6.596
58 HG3 LYS 7 HG1 LYS 7 54.671 11.752 -7.423
59 HD2 LYS 7 HD2 LYS 7 53.966 9.584 -8.485
60 HD3 LYS 7 HD1 LYS 7 52.356 9.798 -7.756
61 HE2 LYS 7 HE2 LYS 7 53.682 11.842 -9.587
62 HE3 LYS 7 HE1 LYS 7 52.514 10.619 -10.141
63 HZ1 LYS 7 HZ1 LYS 7 51.497 12.793 -9.617
64 HZ2 LYS 7 HZ2 LYS 7 51.978 12.614 -7.997
65 HZ3 LYS 7 HZ3 LYS 7 50.864 11.529 -8.681
66 H GLY 8 HN GLY 8 55.718 11.401 -2.663
67 HA2 GLY 8 HA1 GLY 8 54.715 11.688 -0.702
68 HA3 GLY 8 HA2 GLY 8 54.401 13.333 -1.375
69 H ALA 9 HN ALA 9 53.141 10.028 -1.119
70 HA ALA 9 HA ALA 9 50.993 9.204 -1.066
71 HB1 ALA 9 HB1 ALA 9 51.018 10.594 1.008
72 HB2 ALA 9 HB2 ALA 9 49.399 10.429 0.290
73 HB3 ALA 9 HB3 ALA 9 50.319 11.936 0.073
74 H ILE 10 HN ILE 10 51.867 10.511 -3.495
75 HA ILE 10 HA ILE 10 50.946 10.945 -5.549
76 HB ILE 10 HB ILE 10 48.790 9.651 -4.235
77 HG12 ILE 10 HG12 ILE 10 48.944 10.580 -7.140
78 HG13 ILE 10 HG11 ILE 10 49.739 9.132 -6.479
79 HG21 ILE 10 HG21 ILE 10 47.640 12.055 -5.714
80 HG22 ILE 10 HG22 ILE 10 47.718 11.950 -3.942
81 HG23 ILE 10 HG23 ILE 10 46.749 10.779 -4.854
82 HD11 ILE 10 HD1 ILE 10 47.305 8.485 -5.671
83 HD12 ILE 10 HD2 ILE 10 47.755 8.237 -7.375
84 HD13 ILE 10 HD3 ILE 10 46.783 9.652 -6.912
85 H HIS 11 HN HIS 11 49.594 12.705 -2.783
86 HA HIS 11 HA HIS 11 50.352 15.239 -3.990
87 HB2 HIS 11 HB2 HIS 11 48.261 14.806 -5.252
88 HB3 HIS 11 HB1 HIS 11 47.378 14.647 -3.714
89 HD1 HIS 11 HD1 HIS 11 47.275 16.819 -2.155
90 HD2 HIS 11 HD2 HIS 11 48.784 17.459 -6.027
91 HE1 HIS 11 HE1 HIS 11 47.200 19.335 -2.596
92 H GLY 12 HN GLY 12 49.296 13.206 -1.477
93 HA2 GLY 12 HA1 GLY 12 50.258 14.292 0.718
94 HA3 GLY 12 HA2 GLY 12 48.956 15.471 0.453
95 H GLY 13 HN GLY 13 48.336 12.247 -0.615
96 HA2 GLY 13 HA1 GLY 13 47.034 10.547 0.283
97 HA3 GLY 13 HA2 GLY 13 47.304 11.234 1.897
98 H ARG 14 HN ARG 14 45.490 11.781 -1.142
99 HA ARG 14 HA ARG 14 43.011 12.102 0.333
100 HB2 ARG 14 HB2 ARG 14 44.401 14.358 0.526
101 HB3 ARG 14 HB1 ARG 14 43.839 14.624 -1.134
102 HG2 ARG 14 HG2 ARG 14 42.002 14.014 1.236
103 HG3 ARG 14 HG1 ARG 14 42.350 15.646 0.632
104 HD2 ARG 14 HD2 ARG 14 40.925 13.391 -0.834
105 HD3 ARG 14 HD1 ARG 14 40.271 14.972 -0.365
106 HE ARG 14 HE ARG 14 42.510 15.404 -2.083
107 HH11 ARG 14 HH11 ARG 14 40.488 13.039 -2.963
108 HH12 ARG 14 HH12 ARG 14 39.664 13.890 -4.226
109 HH21 ARG 14 HH21 ARG 14 40.941 16.987 -3.336
110 HH22 ARG 14 HH22 ARG 14 39.921 16.124 -4.437
111 H PHE 15 HN PHE 15 44.619 13.202 -2.685
112 HA PHE 15 HA PHE 15 42.311 12.782 -4.341
113 HB2 PHE 15 HB2 PHE 15 44.291 14.169 -4.976
114 HB3 PHE 15 HB1 PHE 15 45.257 12.681 -5.118
115 HD1 PHE 15 HD1 PHE 15 42.056 14.248 -6.346
116 HD2 PHE 15 HD2 PHE 15 45.294 11.516 -7.186
117 HE1 PHE 15 HE1 PHE 15 41.191 13.930 -8.660
118 HE2 PHE 15 HE2 PHE 15 44.425 11.199 -9.499
119 HZ PHE 15 HZ PHE 15 42.377 12.411 -10.238
120 H ILE 16 HN ILE 16 41.356 10.801 -3.987
121 HA ILE 16 HA ILE 16 41.216 8.465 -3.830
122 HB ILE 16 HB ILE 16 41.818 7.343 -6.026
123 HG12 ILE 16 HG12 ILE 16 42.608 10.178 -6.853
124 HG13 ILE 16 HG11 ILE 16 43.775 8.879 -6.527
125 HG21 ILE 16 HG21 ILE 16 40.057 8.451 -7.260
126 HG22 ILE 16 HG22 ILE 16 40.301 9.966 -6.359
127 HG23 ILE 16 HG23 ILE 16 39.625 8.540 -5.539
128 HD11 ILE 16 HD1 ILE 16 43.491 8.791 -8.874
129 HD12 ILE 16 HD2 ILE 16 41.742 9.085 -8.769
130 HD13 ILE 16 HD3 ILE 16 42.410 7.506 -8.289
131 H HIS 17 HN HIS 17 43.105 8.975 -2.155
132 HA HIS 17 HA HIS 17 45.136 6.838 -2.659
133 HB2 HIS 17 HB2 HIS 17 46.187 9.019 -3.271
134 HB3 HIS 17 HB1 HIS 17 45.829 9.622 -1.635
135 HD1 HIS 17 HD1 HIS 17 47.223 8.722 0.340
136 HD2 HIS 17 HD2 HIS 17 48.267 7.065 -3.381
137 HE1 HIS 17 HE1 HIS 17 49.395 7.419 0.670
138 H GLY 18 HN GLY 18 43.253 8.916 -0.500
139 HA2 GLY 18 HA1 GLY 18 44.265 8.134 2.011
140 HA3 GLY 18 HA2 GLY 18 42.547 8.492 1.672
141 H MET 19 HN MET 19 41.759 6.726 0.032
142 HA MET 19 HA MET 19 42.377 4.032 0.424
143 HB2 MET 19 HB2 MET 19 41.633 4.572 2.819
144 HB3 MET 19 HB1 MET 19 40.024 4.824 2.117
145 HG2 MET 19 HG2 MET 19 39.771 2.539 1.569
146 HG3 MET 19 HG1 MET 19 41.522 2.230 1.597
147 HE1 MET 19 HE1 MET 19 42.503 1.628 5.111
148 HE2 MET 19 HE2 MET 19 42.901 2.905 3.937
149 HE3 MET 19 HE3 MET 19 42.710 1.221 3.391
150 H ILE 20 HN ILE 20 41.324 6.385 -1.145
151 HA ILE 20 HA ILE 20 39.814 6.678 -2.864
152 HB ILE 20 HB ILE 20 39.701 3.618 -2.725
153 HG12 ILE 20 HG12 ILE 20 40.815 3.772 -4.893
154 HG13 ILE 20 HG11 ILE 20 40.631 5.541 -4.901
155 HG21 ILE 20 HG21 ILE 20 38.380 3.879 -4.935
156 HG22 ILE 20 HG22 ILE 20 38.045 5.542 -4.394
157 HG23 ILE 20 HG23 ILE 20 37.487 4.160 -3.422
158 HD11 ILE 20 HD1 ILE 20 42.932 4.581 -4.178
159 HD12 ILE 20 HD2 ILE 20 42.119 4.115 -2.664
160 HD13 ILE 20 HD3 ILE 20 42.203 5.829 -3.141
161 H GLN 21 HN GLN 21 39.419 5.530 0.219
162 HA GLN 21 HA GLN 21 36.494 6.359 0.215
163 HB2 GLN 21 HB2 GLN 21 37.645 3.810 1.406
164 HB3 GLN 21 HB1 GLN 21 36.047 4.468 1.828
165 HG2 GLN 21 HG2 GLN 21 35.370 4.361 -0.555
166 HG3 GLN 21 HG1 GLN 21 36.968 3.697 -0.977
167 HE21 GLN 21 HE21 GLN 21 34.562 2.997 1.671
168 HE22 GLN 21 HE22 GLN 21 34.551 1.255 1.375
169 H ASN 22 HN ASN 22 39.588 6.916 1.425
170 HA ASN 22 HA ASN 22 38.440 7.823 4.081
171 HB2 ASN 22 HB2 ASN 22 41.229 6.835 3.385
172 HB3 ASN 22 HB1 ASN 22 40.800 7.626 4.919
173 HD21 ASN 22 HD21 ASN 22 41.409 5.517 5.982
174 HD22 ASN 22 HD22 ASN 22 40.227 4.204 5.975
175 H HIS 23 HN HIS 23 40.355 8.536 1.217
176 HA HIS 23 HA HIS 23 41.254 10.538 0.461
177 HB2 HIS 23 HB2 HIS 23 38.860 11.495 2.074
178 HB3 HIS 23 HB1 HIS 23 39.875 12.614 1.135
179 HD1 HIS 23 HD1 HIS 23 39.527 9.207 -0.317
180 HD2 HIS 23 HD2 HIS 23 37.520 12.894 -0.606
181 HE1 HIS 23 HE1 HIS 23 38.050 9.109 -2.400
182 H HIS 24 HN HIS 24 40.163 12.305 3.267
183 HA HIS 24 HA HIS 24 42.824 13.213 3.875
184 HB2 HIS 24 HB2 HIS 24 40.727 14.472 4.391
185 HB3 HIS 24 HB1 HIS 24 40.350 13.270 5.649
186 HD1 HIS 24 HD1 HIS 24 40.828 14.370 7.843
187 HD2 HIS 24 HD2 HIS 24 43.801 15.192 4.983
188 HE1 HIS 24 HE1 HIS 24 42.684 15.669 9.025
Start of MODEL 23
1 H1 PHE 1 HT1 PHE 1 54.353 4.260 6.319
2 H2 PHE 1 HT2 PHE 1 55.581 5.375 6.693
3 H3 PHE 1 HT3 PHE 1 55.155 4.166 7.810
4 HA PHE 1 HA PHE 1 57.238 3.967 6.269
5 HB2 PHE 1 HB2 PHE 1 56.515 2.384 8.036
6 HB3 PHE 1 HB1 PHE 1 55.334 1.678 6.905
7 HD1 PHE 1 HD1 PHE 1 56.005 -0.066 5.436
8 HD2 PHE 1 HD2 PHE 1 59.002 2.448 7.265
9 HE1 PHE 1 HE1 PHE 1 57.798 -1.519 4.498
10 HE2 PHE 1 HE2 PHE 1 60.792 0.992 6.326
11 HZ PHE 1 HZ PHE 1 60.193 -0.950 4.886
12 H LEU 2 HN LEU 2 56.099 5.201 4.322
13 HA LEU 2 HA LEU 2 54.737 3.480 2.404
14 HB2 LEU 2 HB2 LEU 2 56.181 6.083 1.788
15 HB3 LEU 2 HB1 LEU 2 54.786 5.367 0.947
16 HG LEU 2 HG LEU 2 54.787 6.422 3.812
17 HD11 LEU 2 HD11 LEU 2 53.551 7.501 1.238
18 HD12 LEU 2 HD12 LEU 2 54.925 8.211 2.120
19 HD13 LEU 2 HD13 LEU 2 53.308 8.183 2.864
20 HD21 LEU 2 HD21 LEU 2 52.671 5.101 2.059
21 HD22 LEU 2 HD22 LEU 2 52.236 6.141 3.437
22 HD23 LEU 2 HD23 LEU 2 53.174 4.656 3.707
23 H GLY 3 HN GLY 3 57.823 5.262 1.982
24 HA2 GLY 3 HA1 GLY 3 59.707 4.679 0.770
25 HA3 GLY 3 HA2 GLY 3 59.529 3.094 1.549
26 H ALA 4 HN ALA 4 57.448 4.764 -0.842
27 HA ALA 4 HA ALA 4 58.346 3.131 -3.054
28 HB1 ALA 4 HB1 ALA 4 55.627 2.386 -1.939
29 HB2 ALA 4 HB2 ALA 4 57.105 1.442 -1.634
30 HB3 ALA 4 HB3 ALA 4 56.497 1.633 -3.296
31 H LEU 5 HN LEU 5 55.097 4.221 -1.974
32 HA LEU 5 HA LEU 5 54.544 5.469 -4.520
33 HB2 LEU 5 HB2 LEU 5 53.159 6.136 -1.901
34 HB3 LEU 5 HB1 LEU 5 52.486 6.152 -3.548
35 HG LEU 5 HG LEU 5 53.351 3.700 -1.951
36 HD11 LEU 5 HD11 LEU 5 51.138 4.816 -1.399
37 HD12 LEU 5 HD12 LEU 5 50.998 3.135 -1.966
38 HD13 LEU 5 HD13 LEU 5 50.626 4.481 -3.070
39 HD21 LEU 5 HD21 LEU 5 53.921 3.216 -4.226
40 HD22 LEU 5 HD22 LEU 5 52.477 4.050 -4.849
41 HD23 LEU 5 HD23 LEU 5 52.310 2.498 -3.995
42 H ILE 6 HN ILE 6 54.937 6.962 -1.268
43 HA ILE 6 HA ILE 6 55.535 9.159 -0.689
44 HB ILE 6 HB ILE 6 57.536 9.168 -3.002
45 HG12 ILE 6 HG12 ILE 6 57.662 7.353 -0.549
46 HG13 ILE 6 HG11 ILE 6 57.573 6.831 -2.247
47 HG21 ILE 6 HG21 ILE 6 58.008 9.721 -0.045
48 HG22 ILE 6 HG22 ILE 6 57.283 10.949 -1.105
49 HG23 ILE 6 HG23 ILE 6 58.912 10.328 -1.452
50 HD11 ILE 6 HD1 ILE 6 59.743 8.183 -2.610
51 HD12 ILE 6 HD2 ILE 6 59.883 6.677 -1.672
52 HD13 ILE 6 HD3 ILE 6 59.863 8.246 -0.835
53 H LYS 7 HN LYS 7 56.833 10.977 -2.851
54 HA LYS 7 HA LYS 7 55.896 12.868 -3.852
55 HB2 LYS 7 HB2 LYS 7 53.671 10.993 -4.806
56 HB3 LYS 7 HB1 LYS 7 54.104 12.571 -5.508
57 HG2 LYS 7 HG2 LYS 7 56.250 11.722 -6.264
58 HG3 LYS 7 HG1 LYS 7 56.000 10.187 -5.396
59 HD2 LYS 7 HD2 LYS 7 54.152 9.585 -6.844
60 HD3 LYS 7 HD1 LYS 7 54.162 11.194 -7.609
61 HE2 LYS 7 HE2 LYS 7 56.416 9.142 -7.733
62 HE3 LYS 7 HE1 LYS 7 55.293 9.540 -9.054
63 HZ1 LYS 7 HZ1 LYS 7 57.459 11.168 -7.893
64 HZ2 LYS 7 HZ2 LYS 7 56.128 11.941 -8.612
65 HZ3 LYS 7 HZ3 LYS 7 57.088 10.875 -9.522
66 H GLY 8 HN GLY 8 55.518 11.656 -1.463
67 HA2 GLY 8 HA1 GLY 8 54.326 11.372 0.391
68 HA3 GLY 8 HA2 GLY 8 54.128 13.162 0.259
69 H ALA 9 HN ALA 9 52.674 10.059 0.095
70 HA ALA 9 HA ALA 9 50.547 9.303 -0.359
71 HB1 ALA 9 HB1 ALA 9 48.786 10.543 0.851
72 HB2 ALA 9 HB2 ALA 9 49.904 11.913 1.056
73 HB3 ALA 9 HB3 ALA 9 50.255 10.354 1.837
74 H ILE 10 HN ILE 10 51.698 10.547 -2.556
75 HA ILE 10 HA ILE 10 51.243 11.811 -4.466
76 HB ILE 10 HB ILE 10 48.804 11.068 -5.386
77 HG12 ILE 10 HG12 ILE 10 49.414 9.039 -3.178
78 HG13 ILE 10 HG11 ILE 10 48.071 10.198 -3.164
79 HG21 ILE 10 HG21 ILE 10 49.823 9.060 -6.302
80 HG22 ILE 10 HG22 ILE 10 51.033 9.018 -4.999
81 HG23 ILE 10 HG23 ILE 10 51.077 10.313 -6.219
82 HD11 ILE 10 HD1 ILE 10 47.023 8.264 -3.993
83 HD12 ILE 10 HD2 ILE 10 48.458 7.758 -4.912
84 HD13 ILE 10 HD3 ILE 10 47.455 9.110 -5.497
85 H HIS 11 HN HIS 11 47.802 11.794 -3.772
86 HA HIS 11 HA HIS 11 47.472 14.532 -4.286
87 HB2 HIS 11 HB2 HIS 11 45.296 14.319 -3.177
88 HB3 HIS 11 HB1 HIS 11 45.619 12.905 -4.207
89 HD1 HIS 11 HD1 HIS 11 46.240 13.917 -0.536
90 HD2 HIS 11 HD2 HIS 11 45.100 10.580 -2.828
91 HE1 HIS 11 HE1 HIS 11 45.837 11.982 1.082
92 H GLY 12 HN GLY 12 49.154 13.154 -1.660
93 HA2 GLY 12 HA1 GLY 12 48.346 14.867 0.474
94 HA3 GLY 12 HA2 GLY 12 49.959 14.154 0.284
95 H GLY 13 HN GLY 13 49.603 15.622 -2.523
96 HA2 GLY 13 HA1 GLY 13 49.922 18.422 -1.812
97 HA3 GLY 13 HA2 GLY 13 51.466 17.636 -2.200
98 H ARG 14 HN ARG 14 50.004 15.734 -4.052
99 HA ARG 14 HA ARG 14 50.381 17.302 -6.445
100 HB2 ARG 14 HB2 ARG 14 50.715 14.822 -6.288
101 HB3 ARG 14 HB1 ARG 14 48.957 14.631 -6.124
102 HG2 ARG 14 HG2 ARG 14 49.579 14.264 -8.457
103 HG3 ARG 14 HG1 ARG 14 48.658 15.776 -8.340
104 HD2 ARG 14 HD2 ARG 14 50.541 17.110 -8.770
105 HD3 ARG 14 HD1 ARG 14 51.683 15.888 -8.158
106 HE ARG 14 HE ARG 14 50.647 16.066 -10.884
107 HH11 ARG 14 HH11 ARG 14 53.130 14.830 -9.160
108 HH12 ARG 14 HH12 ARG 14 53.165 13.269 -9.910
109 HH21 ARG 14 HH21 ARG 14 50.133 13.692 -11.540
110 HH22 ARG 14 HH22 ARG 14 51.467 12.625 -11.258
111 H PHE 15 HN PHE 15 47.631 16.566 -4.384
112 HA PHE 15 HA PHE 15 45.417 16.899 -5.981
113 HB2 PHE 15 HB2 PHE 15 45.416 16.662 -3.490
114 HB3 PHE 15 HB1 PHE 15 45.850 18.383 -3.360
115 HD1 PHE 15 HD1 PHE 15 43.186 15.970 -4.196
116 HD2 PHE 15 HD2 PHE 15 44.267 20.147 -4.069
117 HE1 PHE 15 HE1 PHE 15 40.787 16.599 -4.439
118 HE2 PHE 15 HE2 PHE 15 41.868 20.776 -4.313
119 HZ PHE 15 HZ PHE 15 40.137 19.001 -4.566
120 H ILE 16 HN ILE 16 47.518 19.553 -4.781
121 HA ILE 16 HA ILE 16 45.933 21.557 -6.247
122 HB ILE 16 HB ILE 16 48.667 21.971 -4.965
123 HG12 ILE 16 HG12 ILE 16 45.888 22.098 -3.699
124 HG13 ILE 16 HG11 ILE 16 47.140 20.888 -3.336
125 HG21 ILE 16 HG21 ILE 16 46.306 23.873 -5.287
126 HG22 ILE 16 HG22 ILE 16 47.594 23.727 -6.505
127 HG23 ILE 16 HG23 ILE 16 47.983 24.281 -4.862
128 HD11 ILE 16 HD1 ILE 16 47.142 23.859 -2.705
129 HD12 ILE 16 HD2 ILE 16 48.654 22.918 -2.739
130 HD13 ILE 16 HD3 ILE 16 47.362 22.487 -1.597
131 H HIS 17 HN HIS 17 49.531 21.152 -6.335
132 HA HIS 17 HA HIS 17 49.460 20.571 -9.211
133 HB2 HIS 17 HB2 HIS 17 48.965 23.046 -9.114
134 HB3 HIS 17 HB1 HIS 17 50.547 23.274 -8.332
135 HD1 HIS 17 HD1 HIS 17 52.206 24.066 -10.010
136 HD2 HIS 17 HD2 HIS 17 49.604 21.175 -11.612
137 HE1 HIS 17 HE1 HIS 17 52.927 23.648 -12.425
138 H GLY 18 HN GLY 18 50.561 18.948 -7.490
139 HA2 GLY 18 HA1 GLY 18 52.581 17.878 -7.083
140 HA3 GLY 18 HA2 GLY 18 53.364 19.044 -8.138
141 H MET 19 HN MET 19 51.712 18.950 -5.046
142 HA MET 19 HA MET 19 52.195 20.228 -3.223
143 HB2 MET 19 HB2 MET 19 53.651 18.086 -3.240
144 HB3 MET 19 HB1 MET 19 54.974 19.258 -3.377
145 HG2 MET 19 HG2 MET 19 54.262 20.343 -1.275
146 HG3 MET 19 HG1 MET 19 52.870 19.244 -1.162
147 HE1 MET 19 HE1 MET 19 54.123 15.975 0.042
148 HE2 MET 19 HE2 MET 19 53.411 16.468 -1.512
149 HE3 MET 19 HE3 MET 19 52.826 17.191 0.005
150 H ILE 20 HN ILE 20 52.742 21.657 -5.749
151 HA ILE 20 HA ILE 20 53.723 23.690 -6.311
152 HB ILE 20 HB ILE 20 53.700 24.047 -3.266
153 HG12 ILE 20 HG12 ILE 20 51.887 25.656 -3.798
154 HG13 ILE 20 HG11 ILE 20 52.061 25.279 -5.527
155 HG21 ILE 20 HG21 ILE 20 54.683 25.891 -5.474
156 HG22 ILE 20 HG22 ILE 20 55.494 25.449 -3.953
157 HG23 ILE 20 HG23 ILE 20 54.085 26.531 -3.923
158 HD11 ILE 20 HD1 ILE 20 50.206 24.044 -4.124
159 HD12 ILE 20 HD2 ILE 20 51.551 23.043 -3.536
160 HD13 ILE 20 HD3 ILE 20 51.177 23.107 -5.277
161 H GLN 21 HN GLN 21 55.078 21.168 -4.577
162 HA GLN 21 HA GLN 21 57.903 22.243 -5.025
163 HB2 GLN 21 HB2 GLN 21 57.137 21.799 -2.604
164 HB3 GLN 21 HB1 GLN 21 57.139 20.075 -3.038
165 HG2 GLN 21 HG2 GLN 21 59.515 20.258 -3.740
166 HG3 GLN 21 HG1 GLN 21 59.513 21.975 -3.273
167 HE21 GLN 21 HE21 GLN 21 60.052 22.450 -1.132
168 HE22 GLN 21 HE22 GLN 21 60.085 21.249 0.165
169 H ASN 22 HN ASN 22 55.635 19.460 -5.364
170 HA ASN 22 HA ASN 22 57.768 17.845 -6.632
171 HB2 ASN 22 HB2 ASN 22 54.764 17.453 -6.288
172 HB3 ASN 22 HB1 ASN 22 55.830 16.296 -7.117
173 HD21 ASN 22 HD21 ASN 22 56.305 14.588 -5.737
174 HD22 ASN 22 HD22 ASN 22 56.662 14.769 -4.016
175 H HIS 23 HN HIS 23 55.102 20.016 -7.305
176 HA HIS 23 HA HIS 23 54.387 20.958 -9.328
177 HB2 HIS 23 HB2 HIS 23 57.296 20.403 -10.028
178 HB3 HIS 23 HB1 HIS 23 56.194 21.338 -11.066
179 HD1 HIS 23 HD1 HIS 23 54.754 23.236 -9.393
180 HD2 HIS 23 HD2 HIS 23 58.741 22.210 -8.535
181 HE1 HIS 23 HE1 HIS 23 55.713 25.082 -7.910
182 H HIS 24 HN HIS 24 54.267 20.602 -11.813
183 HA HIS 24 HA HIS 24 54.610 17.844 -12.718
184 HB2 HIS 24 HB2 HIS 24 52.595 17.596 -11.282
185 HB3 HIS 24 HB1 HIS 24 51.780 18.860 -12.233
186 HD1 HIS 24 HD1 HIS 24 50.008 17.447 -13.390
187 HD2 HIS 24 HD2 HIS 24 53.878 15.858 -13.799
188 HE1 HIS 24 HE1 HIS 24 49.880 15.563 -15.110
Start of MODEL 24
1 H1 PHE 1 HT1 PHE 1 58.187 -2.326 0.587
2 H2 PHE 1 HT2 PHE 1 58.804 -3.519 1.629
3 H3 PHE 1 HT3 PHE 1 59.834 -2.723 0.538
4 HA PHE 1 HA PHE 1 59.090 -2.009 3.151
5 HB2 PHE 1 HB2 PHE 1 61.390 -2.038 2.215
6 HB3 PHE 1 HB1 PHE 1 60.945 -0.714 1.112
7 HD1 PHE 1 HD1 PHE 1 60.389 1.542 2.001
8 HD2 PHE 1 HD2 PHE 1 61.750 -1.635 4.586
9 HE1 PHE 1 HE1 PHE 1 60.866 3.205 3.795
10 HE2 PHE 1 HE2 PHE 1 62.226 0.028 6.380
11 HZ PHE 1 HZ PHE 1 61.854 2.456 5.956
12 H LEU 2 HN LEU 2 59.040 -0.214 0.035
13 HA LEU 2 HA LEU 2 57.992 2.200 1.000
14 HB2 LEU 2 HB2 LEU 2 56.852 2.273 -1.385
15 HB3 LEU 2 HB1 LEU 2 58.624 2.265 -1.254
16 HG LEU 2 HG LEU 2 58.712 -0.125 -1.710
17 HD11 LEU 2 HD11 LEU 2 56.503 -1.292 -2.338
18 HD12 LEU 2 HD12 LEU 2 55.678 0.068 -1.540
19 HD13 LEU 2 HD13 LEU 2 56.767 -0.990 -0.607
20 HD21 LEU 2 HD21 LEU 2 57.746 -0.136 -4.002
21 HD22 LEU 2 HD22 LEU 2 58.581 1.396 -3.649
22 HD23 LEU 2 HD23 LEU 2 56.803 1.318 -3.602
23 H GLY 3 HN GLY 3 55.659 2.954 0.111
24 HA2 GLY 3 HA1 GLY 3 53.443 1.242 0.250
25 HA3 GLY 3 HA2 GLY 3 53.800 1.704 1.927
26 H ALA 4 HN ALA 4 54.600 3.894 -0.660
27 HA ALA 4 HA ALA 4 52.054 5.349 -0.552
28 HB1 ALA 4 HB1 ALA 4 52.899 7.361 0.491
29 HB2 ALA 4 HB2 ALA 4 54.524 6.651 0.646
30 HB3 ALA 4 HB3 ALA 4 53.172 5.995 1.599
31 H LEU 5 HN LEU 5 55.005 4.476 -1.902
32 HA LEU 5 HA LEU 5 56.096 5.097 -3.852
33 HB2 LEU 5 HB2 LEU 5 53.489 6.388 -4.719
34 HB3 LEU 5 HB1 LEU 5 54.720 5.587 -5.725
35 HG LEU 5 HG LEU 5 52.895 4.247 -3.680
36 HD11 LEU 5 HD11 LEU 5 51.826 4.893 -5.838
37 HD12 LEU 5 HD12 LEU 5 51.950 3.126 -5.659
38 HD13 LEU 5 HD13 LEU 5 53.088 3.996 -6.715
39 HD21 LEU 5 HD21 LEU 5 54.965 3.050 -3.598
40 HD22 LEU 5 HD22 LEU 5 55.228 3.220 -5.350
41 HD23 LEU 5 HD23 LEU 5 53.957 2.133 -4.740
42 H ILE 6 HN ILE 6 55.716 7.095 -1.531
43 HA ILE 6 HA ILE 6 56.183 9.355 -1.084
44 HB ILE 6 HB ILE 6 57.917 9.425 -3.604
45 HG12 ILE 6 HG12 ILE 6 58.453 7.731 -1.119
46 HG13 ILE 6 HG11 ILE 6 58.223 7.132 -2.779
47 HG21 ILE 6 HG21 ILE 6 58.658 10.137 -0.738
48 HG22 ILE 6 HG22 ILE 6 57.724 11.260 -1.750
49 HG23 ILE 6 HG23 ILE 6 59.352 10.755 -2.255
50 HD11 ILE 6 HD1 ILE 6 60.225 8.627 -3.426
51 HD12 ILE 6 HD2 ILE 6 60.587 7.179 -2.456
52 HD13 ILE 6 HD3 ILE 6 60.529 8.779 -1.680
53 H LYS 7 HN LYS 7 57.095 11.175 -3.443
54 HA LYS 7 HA LYS 7 55.910 12.951 -4.392
55 HB2 LYS 7 HB2 LYS 7 53.785 10.839 -5.041
56 HB3 LYS 7 HB1 LYS 7 53.937 12.443 -5.798
57 HG2 LYS 7 HG2 LYS 7 56.235 11.770 -6.603
58 HG3 LYS 7 HG1 LYS 7 55.912 10.129 -5.993
59 HD2 LYS 7 HD2 LYS 7 53.966 9.921 -7.472
60 HD3 LYS 7 HD1 LYS 7 54.187 11.596 -8.035
61 HE2 LYS 7 HE2 LYS 7 56.353 11.034 -9.011
62 HE3 LYS 7 HE1 LYS 7 56.268 9.387 -8.340
63 HZ1 LYS 7 HZ1 LYS 7 55.239 8.806 -10.203
64 HZ2 LYS 7 HZ2 LYS 7 55.125 10.417 -10.733
65 HZ3 LYS 7 HZ3 LYS 7 53.916 9.761 -9.736
66 H GLY 8 HN GLY 8 55.893 11.815 -1.936
67 HA2 GLY 8 HA1 GLY 8 54.944 11.523 0.050
68 HA3 GLY 8 HA2 GLY 8 54.593 13.288 -0.119
69 H ALA 9 HN ALA 9 53.378 10.093 0.036
70 HA ALA 9 HA ALA 9 51.274 9.160 -0.147
71 HB1 ALA 9 HB1 ALA 9 51.108 10.214 2.025
72 HB2 ALA 9 HB2 ALA 9 49.553 10.407 1.181
73 HB3 ALA 9 HB3 ALA 9 50.689 11.774 1.282
74 H ILE 10 HN ILE 10 52.032 10.326 -2.524
75 HA ILE 10 HA ILE 10 51.264 11.453 -4.416
76 HB ILE 10 HB ILE 10 48.771 10.550 -4.968
77 HG12 ILE 10 HG12 ILE 10 49.755 8.685 -2.749
78 HG13 ILE 10 HG11 ILE 10 48.364 9.782 -2.627
79 HG21 ILE 10 HG21 ILE 10 50.956 9.842 -6.044
80 HG22 ILE 10 HG22 ILE 10 49.762 8.539 -5.903
81 HG23 ILE 10 HG23 ILE 10 51.127 8.620 -4.764
82 HD11 ILE 10 HD1 ILE 10 47.522 8.528 -4.801
83 HD12 ILE 10 HD2 ILE 10 47.326 7.756 -3.210
84 HD13 ILE 10 HD3 ILE 10 48.659 7.261 -4.278
85 H HIS 11 HN HIS 11 47.944 11.330 -3.292
86 HA HIS 11 HA HIS 11 47.439 14.031 -3.885
87 HB2 HIS 11 HB2 HIS 11 45.412 13.786 -2.526
88 HB3 HIS 11 HB1 HIS 11 45.675 12.349 -3.542
89 HD1 HIS 11 HD1 HIS 11 46.384 10.131 -2.385
90 HD2 HIS 11 HD2 HIS 11 45.855 13.343 0.277
91 HE1 HIS 11 HE1 HIS 11 46.325 9.161 -0.023
92 H GLY 12 HN GLY 12 49.480 12.865 -1.433
93 HA2 GLY 12 HA1 GLY 12 48.814 14.653 0.705
94 HA3 GLY 12 HA2 GLY 12 50.418 13.957 0.396
95 H GLY 13 HN GLY 13 49.680 15.295 -2.429
96 HA2 GLY 13 HA1 GLY 13 49.998 18.118 -1.924
97 HA3 GLY 13 HA2 GLY 13 51.543 17.366 -2.365
98 H ARG 14 HN ARG 14 49.980 15.296 -3.962
99 HA ARG 14 HA ARG 14 50.175 16.661 -6.494
100 HB2 ARG 14 HB2 ARG 14 50.571 14.259 -6.312
101 HB3 ARG 14 HB1 ARG 14 48.916 13.995 -5.725
102 HG2 ARG 14 HG2 ARG 14 49.179 13.439 -8.150
103 HG3 ARG 14 HG1 ARG 14 47.989 14.727 -7.880
104 HD2 ARG 14 HD2 ARG 14 49.426 16.401 -8.724
105 HD3 ARG 14 HD1 ARG 14 50.890 15.428 -8.443
106 HE ARG 14 HE ARG 14 49.169 15.306 -10.803
107 HH11 ARG 14 HH11 ARG 14 51.036 13.386 -8.645
108 HH12 ARG 14 HH12 ARG 14 51.663 12.355 -9.887
109 HH21 ARG 14 HH21 ARG 14 50.109 14.072 -12.466
110 HH22 ARG 14 HH22 ARG 14 51.140 12.743 -12.050
111 H PHE 15 HN PHE 15 47.527 15.946 -4.249
112 HA PHE 15 HA PHE 15 45.240 16.241 -5.739
113 HB2 PHE 15 HB2 PHE 15 45.291 16.022 -3.275
114 HB3 PHE 15 HB1 PHE 15 45.824 17.714 -3.140
115 HD1 PHE 15 HD1 PHE 15 44.278 19.553 -3.481
116 HD2 PHE 15 HD2 PHE 15 43.022 15.479 -4.155
117 HE1 PHE 15 HE1 PHE 15 41.907 20.305 -3.600
118 HE2 PHE 15 HE2 PHE 15 40.649 16.231 -4.275
119 HZ PHE 15 HZ PHE 15 40.086 18.632 -3.916
120 H ILE 16 HN ILE 16 47.450 18.883 -4.787
121 HA ILE 16 HA ILE 16 45.758 20.895 -6.122
122 HB ILE 16 HB ILE 16 48.629 21.371 -5.222
123 HG12 ILE 16 HG12 ILE 16 46.132 21.178 -3.479
124 HG13 ILE 16 HG11 ILE 16 47.573 20.139 -3.384
125 HG21 ILE 16 HG21 ILE 16 46.138 23.113 -5.010
126 HG22 ILE 16 HG22 ILE 16 47.204 23.119 -6.436
127 HG23 ILE 16 HG23 ILE 16 47.837 23.617 -4.851
128 HD11 ILE 16 HD1 ILE 16 47.289 23.063 -2.624
129 HD12 ILE 16 HD2 ILE 16 48.887 22.374 -3.002
130 HD13 ILE 16 HD3 ILE 16 47.927 21.716 -1.656
131 H HIS 17 HN HIS 17 49.307 20.351 -6.553
132 HA HIS 17 HA HIS 17 49.032 19.581 -9.326
133 HB2 HIS 17 HB2 HIS 17 48.371 21.947 -9.597
134 HB3 HIS 17 HB1 HIS 17 49.864 22.461 -8.774
135 HD1 HIS 17 HD1 HIS 17 48.806 20.374 -11.831
136 HD2 HIS 17 HD2 HIS 17 51.968 22.825 -10.527
137 HE1 HIS 17 HE1 HIS 17 50.463 20.574 -13.765
138 H GLY 18 HN GLY 18 50.358 18.144 -7.735
139 HA2 GLY 18 HA1 GLY 18 52.465 17.287 -7.262
140 HA3 GLY 18 HA2 GLY 18 53.110 18.372 -8.492
141 H MET 19 HN MET 19 51.510 18.740 -5.367
142 HA MET 19 HA MET 19 52.086 20.245 -3.753
143 HB2 MET 19 HB2 MET 19 53.504 18.216 -3.384
144 HB3 MET 19 HB1 MET 19 54.816 19.166 -4.096
145 HG2 MET 19 HG2 MET 19 54.939 20.627 -2.246
146 HG3 MET 19 HG1 MET 19 53.259 20.309 -1.752
147 HE1 MET 19 HE1 MET 19 55.527 20.550 0.135
148 HE2 MET 19 HE2 MET 19 55.558 19.119 1.193
149 HE3 MET 19 HE3 MET 19 54.014 19.931 0.840
150 H ILE 20 HN ILE 20 52.499 21.205 -6.553
151 HA ILE 20 HA ILE 20 53.362 23.143 -7.500
152 HB ILE 20 HB ILE 20 53.207 24.009 -4.571
153 HG12 ILE 20 HG12 ILE 20 51.491 25.524 -5.438
154 HG13 ILE 20 HG11 ILE 20 51.870 25.045 -7.110
155 HG21 ILE 20 HG21 ILE 20 55.143 25.222 -5.323
156 HG22 ILE 20 HG22 ILE 20 53.775 26.350 -5.463
157 HG23 ILE 20 HG23 ILE 20 54.412 25.538 -6.913
158 HD11 ILE 20 HD1 ILE 20 49.833 23.909 -6.063
159 HD12 ILE 20 HD2 ILE 20 50.968 23.054 -4.991
160 HD13 ILE 20 HD3 ILE 20 51.051 22.816 -6.754
161 H GLN 21 HN GLN 21 54.886 21.060 -5.344
162 HA GLN 21 HA GLN 21 57.639 22.207 -6.020
163 HB2 GLN 21 HB2 GLN 21 56.751 20.384 -3.751
164 HB3 GLN 21 HB1 GLN 21 58.441 20.775 -4.123
165 HG2 GLN 21 HG2 GLN 21 56.324 22.904 -3.613
166 HG3 GLN 21 HG1 GLN 21 57.347 22.227 -2.324
167 HE21 GLN 21 HE21 GLN 21 59.821 22.319 -2.809
168 HE22 GLN 21 HE22 GLN 21 60.394 23.769 -3.640
169 H ASN 22 HN ASN 22 55.550 19.272 -6.013
170 HA ASN 22 HA ASN 22 57.695 17.711 -7.329
171 HB2 ASN 22 HB2 ASN 22 54.788 17.159 -6.591
172 HB3 ASN 22 HB1 ASN 22 55.775 16.023 -7.541
173 HD21 ASN 22 HD21 ASN 22 54.845 15.110 -5.078
174 HD22 ASN 22 HD22 ASN 22 56.180 15.058 -3.923
175 H HIS 23 HN HIS 23 54.805 19.633 -7.922
176 HA HIS 23 HA HIS 23 53.725 20.153 -9.946
177 HB2 HIS 23 HB2 HIS 23 55.199 21.152 -11.613
178 HB3 HIS 23 HB1 HIS 23 55.787 21.554 -9.984
179 HD1 HIS 23 HD1 HIS 23 57.896 20.217 -9.085
180 HD2 HIS 23 HD2 HIS 23 57.024 19.712 -13.166
181 HE1 HIS 23 HE1 HIS 23 59.929 19.111 -10.167
182 H HIS 24 HN HIS 24 54.678 19.775 -12.661
183 HA HIS 24 HA HIS 24 54.357 18.222 -14.353
184 HB2 HIS 24 HB2 HIS 24 56.540 17.412 -13.515
185 HB3 HIS 24 HB1 HIS 24 55.698 16.352 -12.359
186 HD1 HIS 24 HD1 HIS 24 56.382 16.822 -16.061
187 HD2 HIS 24 HD2 HIS 24 54.604 14.009 -13.489
188 HE1 HIS 24 HE1 HIS 24 55.894 14.728 -17.441
Start of MODEL 25
1 H1 PHE 1 HT1 PHE 1 55.867 2.196 -13.215
2 H2 PHE 1 HT2 PHE 1 55.528 2.132 -11.551
3 H3 PHE 1 HT3 PHE 1 56.827 1.243 -12.194
4 HA PHE 1 HA PHE 1 58.199 2.905 -11.995
5 HB2 PHE 1 HB2 PHE 1 56.018 4.605 -13.268
6 HB3 PHE 1 HB1 PHE 1 57.705 5.110 -13.012
7 HD1 PHE 1 HD1 PHE 1 59.558 4.004 -14.244
8 HD2 PHE 1 HD2 PHE 1 55.427 3.018 -15.014
9 HE1 PHE 1 HE1 PHE 1 60.221 2.892 -16.373
10 HE2 PHE 1 HE2 PHE 1 56.091 1.905 -17.143
11 HZ PHE 1 HZ PHE 1 58.495 1.781 -17.785
12 H LEU 2 HN LEU 2 57.357 2.287 -9.692
13 HA LEU 2 HA LEU 2 56.797 3.013 -7.559
14 HB2 LEU 2 HB2 LEU 2 57.478 5.809 -8.532
15 HB3 LEU 2 HB1 LEU 2 57.681 5.124 -6.902
16 HG LEU 2 HG LEU 2 59.201 4.287 -9.414
17 HD11 LEU 2 HD11 LEU 2 59.818 6.498 -8.354
18 HD12 LEU 2 HD12 LEU 2 61.126 5.292 -8.327
19 HD13 LEU 2 HD13 LEU 2 60.183 5.616 -6.852
20 HD21 LEU 2 HD21 LEU 2 60.561 2.981 -7.625
21 HD22 LEU 2 HD22 LEU 2 58.978 2.313 -8.084
22 HD23 LEU 2 HD23 LEU 2 59.154 3.217 -6.560
23 H GLY 3 HN GLY 3 55.913 5.892 -7.076
24 HA2 GLY 3 HA1 GLY 3 53.934 7.114 -7.073
25 HA3 GLY 3 HA2 GLY 3 53.351 6.138 -8.437
26 H ALA 4 HN ALA 4 54.308 5.427 -5.048
27 HA ALA 4 HA ALA 4 51.568 4.752 -4.306
28 HB1 ALA 4 HB1 ALA 4 51.980 2.743 -5.563
29 HB2 ALA 4 HB2 ALA 4 52.096 2.333 -3.835
30 HB3 ALA 4 HB3 ALA 4 53.576 2.532 -4.805
31 H LEU 5 HN LEU 5 53.982 6.341 -3.482
32 HA LEU 5 HA LEU 5 53.757 5.785 -0.640
33 HB2 LEU 5 HB2 LEU 5 55.350 4.020 -1.099
34 HB3 LEU 5 HB1 LEU 5 56.354 5.107 -2.080
35 HG LEU 5 HG LEU 5 56.984 6.406 -0.123
36 HD11 LEU 5 HD11 LEU 5 55.014 6.508 1.211
37 HD12 LEU 5 HD12 LEU 5 56.139 5.534 2.181
38 HD13 LEU 5 HD13 LEU 5 54.844 4.738 1.255
39 HD21 LEU 5 HD21 LEU 5 58.226 4.729 1.109
40 HD22 LEU 5 HD22 LEU 5 58.128 4.192 -0.585
41 HD23 LEU 5 HD23 LEU 5 57.070 3.458 0.644
42 H ILE 6 HN ILE 6 55.963 7.204 -3.101
43 HA ILE 6 HA ILE 6 56.234 9.672 -1.395
44 HB ILE 6 HB ILE 6 57.932 10.345 -3.080
45 HG12 ILE 6 HG12 ILE 6 57.114 7.758 -4.490
46 HG13 ILE 6 HG11 ILE 6 56.884 9.408 -5.108
47 HG21 ILE 6 HG21 ILE 6 59.591 8.705 -2.539
48 HG22 ILE 6 HG22 ILE 6 58.377 7.408 -2.417
49 HG23 ILE 6 HG23 ILE 6 58.440 8.690 -1.184
50 HD11 ILE 6 HD1 ILE 6 59.472 9.645 -4.855
51 HD12 ILE 6 HD2 ILE 6 58.850 8.666 -6.205
52 HD13 ILE 6 HD3 ILE 6 59.474 7.868 -4.744
53 H LYS 7 HN LYS 7 56.728 11.310 -3.894
54 HA LYS 7 HA LYS 7 55.389 12.981 -4.814
55 HB2 LYS 7 HB2 LYS 7 53.556 10.571 -5.233
56 HB3 LYS 7 HB1 LYS 7 53.063 12.214 -5.704
57 HG2 LYS 7 HG2 LYS 7 55.027 12.409 -7.174
58 HG3 LYS 7 HG1 LYS 7 55.585 10.795 -6.670
59 HD2 LYS 7 HD2 LYS 7 53.515 9.787 -7.581
60 HD3 LYS 7 HD1 LYS 7 52.951 11.399 -8.086
61 HE2 LYS 7 HE2 LYS 7 55.544 10.100 -9.027
62 HE3 LYS 7 HE1 LYS 7 54.026 10.111 -9.954
63 HZ1 LYS 7 HZ1 LYS 7 54.864 12.013 -10.770
64 HZ2 LYS 7 HZ2 LYS 7 55.922 12.255 -9.464
65 HZ3 LYS 7 HZ3 LYS 7 54.288 12.700 -9.331
66 H GLY 8 HN GLY 8 55.689 11.996 -2.312
67 HA2 GLY 8 HA1 GLY 8 54.989 11.815 -0.216
68 HA3 GLY 8 HA2 GLY 8 54.521 13.542 -0.457
69 H ALA 9 HN ALA 9 53.493 10.205 -0.327
70 HA ALA 9 HA ALA 9 51.432 9.220 -0.073
71 HB1 ALA 9 HB1 ALA 9 50.747 11.941 1.097
72 HB2 ALA 9 HB2 ALA 9 51.375 10.531 1.984
73 HB3 ALA 9 HB3 ALA 9 49.750 10.477 1.259
74 H ILE 10 HN ILE 10 51.982 10.188 -2.605
75 HA ILE 10 HA ILE 10 50.873 10.419 -4.603
76 HB ILE 10 HB ILE 10 48.774 9.477 -2.926
77 HG12 ILE 10 HG12 ILE 10 48.697 9.979 -5.936
78 HG13 ILE 10 HG11 ILE 10 49.484 8.591 -5.151
79 HG21 ILE 10 HG21 ILE 10 47.873 11.838 -2.846
80 HG22 ILE 10 HG22 ILE 10 46.761 10.668 -3.576
81 HG23 ILE 10 HG23 ILE 10 47.692 11.774 -4.613
82 HD11 ILE 10 HD1 ILE 10 47.385 7.691 -5.707
83 HD12 ILE 10 HD2 ILE 10 46.530 9.219 -5.402
84 HD13 ILE 10 HD3 ILE 10 47.100 8.230 -4.036
85 H HIS 11 HN HIS 11 49.825 12.572 -1.985
86 HA HIS 11 HA HIS 11 50.671 14.913 -3.498
87 HB2 HIS 11 HB2 HIS 11 47.705 14.335 -3.123
88 HB3 HIS 11 HB1 HIS 11 48.324 15.991 -3.319
89 HD1 HIS 11 HD1 HIS 11 46.778 13.566 -5.303
90 HD2 HIS 11 HD2 HIS 11 50.369 15.702 -5.780
91 HE1 HIS 11 HE1 HIS 11 47.346 13.556 -7.794
92 H GLY 12 HN GLY 12 49.514 13.203 -0.762
93 HA2 GLY 12 HA1 GLY 12 50.763 14.315 1.289
94 HA3 GLY 12 HA2 GLY 12 49.580 15.610 1.004
95 H GLY 13 HN GLY 13 48.768 12.275 0.325
96 HA2 GLY 13 HA1 GLY 13 47.251 10.846 1.328
97 HA3 GLY 13 HA2 GLY 13 47.718 11.562 2.886
98 H ARG 14 HN ARG 14 45.840 12.346 -0.068
99 HA ARG 14 HA ARG 14 43.483 12.969 1.555
100 HB2 ARG 14 HB2 ARG 14 45.129 15.041 1.585
101 HB3 ARG 14 HB1 ARG 14 44.542 15.304 -0.072
102 HG2 ARG 14 HG2 ARG 14 42.800 15.084 2.429
103 HG3 ARG 14 HG1 ARG 14 43.197 16.587 1.565
104 HD2 ARG 14 HD2 ARG 14 42.180 15.389 -0.531
105 HD3 ARG 14 HD1 ARG 14 41.451 14.281 0.657
106 HE ARG 14 HE ARG 14 40.786 16.773 1.643
107 HH11 ARG 14 HH11 ARG 14 40.378 18.426 -0.378
108 HH12 ARG 14 HH12 ARG 14 39.023 17.877 -1.307
109 HH21 ARG 14 HH21 ARG 14 39.094 14.664 -0.001
110 HH22 ARG 14 HH22 ARG 14 38.295 15.748 -1.092
111 H PHE 15 HN PHE 15 44.994 13.807 -1.606
112 HA PHE 15 HA PHE 15 42.651 13.739 -3.165
113 HB2 PHE 15 HB2 PHE 15 44.937 14.462 -3.924
114 HB3 PHE 15 HB1 PHE 15 45.398 12.745 -4.022
115 HD1 PHE 15 HD1 PHE 15 43.047 15.329 -5.355
116 HD2 PHE 15 HD2 PHE 15 44.684 11.368 -5.863
117 HE1 PHE 15 HE1 PHE 15 42.005 15.187 -7.614
118 HE2 PHE 15 HE2 PHE 15 43.643 11.227 -8.122
119 HZ PHE 15 HZ PHE 15 42.393 13.180 -9.037
120 H ILE 16 HN ILE 16 41.300 12.093 -2.345
121 HA ILE 16 HA ILE 16 40.592 9.897 -1.987
122 HB ILE 16 HB ILE 16 39.760 10.328 -4.186
123 HG12 ILE 16 HG12 ILE 16 41.039 7.629 -4.711
124 HG13 ILE 16 HG11 ILE 16 40.041 7.802 -3.249
125 HG21 ILE 16 HG21 ILE 16 41.150 9.748 -6.233
126 HG22 ILE 16 HG22 ILE 16 42.556 9.616 -5.156
127 HG23 ILE 16 HG23 ILE 16 41.705 11.168 -5.319
128 HD11 ILE 16 HD1 ILE 16 39.158 8.467 -6.094
129 HD12 ILE 16 HD2 ILE 16 38.159 8.626 -4.632
130 HD13 ILE 16 HD3 ILE 16 38.695 7.017 -5.172
131 H HIS 17 HN HIS 17 42.567 9.639 -0.577
132 HA HIS 17 HA HIS 17 43.698 7.024 -1.139
133 HB2 HIS 17 HB2 HIS 17 45.190 8.420 -2.559
134 HB3 HIS 17 HB1 HIS 17 45.605 9.400 -1.133
135 HD1 HIS 17 HD1 HIS 17 48.004 8.728 -0.708
136 HD2 HIS 17 HD2 HIS 17 45.478 5.415 -1.269
137 HE1 HIS 17 HE1 HIS 17 49.356 6.634 -0.144
138 H GLY 18 HN GLY 18 43.076 9.818 0.720
139 HA2 GLY 18 HA1 GLY 18 43.475 8.316 3.212
140 HA3 GLY 18 HA2 GLY 18 44.555 9.711 3.011
141 H MET 19 HN MET 19 41.126 8.976 2.330
142 HA MET 19 HA MET 19 39.978 10.712 4.299
143 HB2 MET 19 HB2 MET 19 41.031 12.398 2.956
144 HB3 MET 19 HB1 MET 19 40.215 11.763 1.537
145 HG2 MET 19 HG2 MET 19 38.039 12.383 2.418
146 HG3 MET 19 HG1 MET 19 38.750 12.790 3.998
147 HE1 MET 19 HE1 MET 19 37.206 14.749 3.669
148 HE2 MET 19 HE2 MET 19 36.854 14.788 1.925
149 HE3 MET 19 HE3 MET 19 37.568 16.211 2.721
150 H ILE 20 HN ILE 20 39.584 9.966 0.799
151 HA ILE 20 HA ILE 20 36.776 9.222 1.147
152 HB ILE 20 HB ILE 20 38.866 8.603 -1.008
153 HG12 ILE 20 HG12 ILE 20 37.518 10.064 -2.395
154 HG13 ILE 20 HG11 ILE 20 36.222 10.114 -1.179
155 HG21 ILE 20 HG21 ILE 20 36.004 7.602 -0.734
156 HG22 ILE 20 HG22 ILE 20 37.480 6.639 -0.979
157 HG23 ILE 20 HG23 ILE 20 36.855 7.657 -2.297
158 HD11 ILE 20 HD1 ILE 20 37.533 11.426 0.322
159 HD12 ILE 20 HD2 ILE 20 37.801 12.155 -1.279
160 HD13 ILE 20 HD3 ILE 20 39.038 11.091 -0.567
161 H GLN 21 HN GLN 21 39.768 8.259 2.098
162 HA GLN 21 HA GLN 21 38.914 5.509 2.866
163 HB2 GLN 21 HB2 GLN 21 41.651 6.559 2.033
164 HB3 GLN 21 HB1 GLN 21 41.385 4.990 2.831
165 HG2 GLN 21 HG2 GLN 21 39.908 4.276 0.995
166 HG3 GLN 21 HG1 GLN 21 40.102 5.860 0.204
167 HE21 GLN 21 HE21 GLN 21 42.890 4.502 1.887
168 HE22 GLN 21 HE22 GLN 21 43.776 4.040 0.430
169 H ASN 22 HN ASN 22 40.229 8.807 3.771
170 HA ASN 22 HA ASN 22 40.598 7.605 6.582
171 HB2 ASN 22 HB2 ASN 22 42.605 8.742 5.373
172 HB3 ASN 22 HB1 ASN 22 41.761 10.265 5.726
173 HD21 ASN 22 HD21 ASN 22 40.630 8.664 8.243
174 HD22 ASN 22 HD22 ASN 22 41.948 8.857 9.403
175 H HIS 23 HN HIS 23 38.164 8.778 5.051
176 HA HIS 23 HA HIS 23 36.437 10.301 5.487
177 HB2 HIS 23 HB2 HIS 23 37.060 9.243 8.270
178 HB3 HIS 23 HB1 HIS 23 35.537 10.023 7.778
179 HD1 HIS 23 HD1 HIS 23 36.959 6.762 8.195
180 HD2 HIS 23 HD2 HIS 23 34.549 8.513 5.229
181 HE1 HIS 23 HE1 HIS 23 35.800 4.864 6.938
182 H HIS 24 HN HIS 24 39.260 11.443 5.749
183 HA HIS 24 HA HIS 24 38.437 14.056 6.664
184 HB2 HIS 24 HB2 HIS 24 38.702 12.996 8.883
185 HB3 HIS 24 HB1 HIS 24 40.370 12.538 8.461
186 HD1 HIS 24 HD1 HIS 24 42.069 14.568 7.957
187 HD2 HIS 24 HD2 HIS 24 38.466 15.583 9.869
188 HE1 HIS 24 HE1 HIS 24 42.352 16.918 8.915
Start of MODEL 26
1 H1 PHE 1 HT1 PHE 1 58.200 -0.610 -10.977
2 H2 PHE 1 HT2 PHE 1 57.055 -0.585 -9.721
3 H3 PHE 1 HT3 PHE 1 58.514 0.271 -9.564
4 HA PHE 1 HA PHE 1 57.895 1.697 -11.391
5 HB2 PHE 1 HB2 PHE 1 55.566 1.605 -12.211
6 HB3 PHE 1 HB1 PHE 1 56.434 0.090 -12.557
7 HD1 PHE 1 HD1 PHE 1 56.107 -1.908 -11.029
8 HD2 PHE 1 HD2 PHE 1 53.630 1.620 -10.787
9 HE1 PHE 1 HE1 PHE 1 54.397 -3.195 -9.752
10 HE2 PHE 1 HE2 PHE 1 51.922 0.332 -9.511
11 HZ PHE 1 HZ PHE 1 52.334 -2.058 -8.941
12 H LEU 2 HN LEU 2 56.284 0.448 -8.530
13 HA LEU 2 HA LEU 2 55.329 1.536 -6.720
14 HB2 LEU 2 HB2 LEU 2 56.809 4.036 -7.598
15 HB3 LEU 2 HB1 LEU 2 56.393 3.515 -5.949
16 HG LEU 2 HG LEU 2 58.404 2.195 -7.826
17 HD11 LEU 2 HD11 LEU 2 58.794 3.498 -5.100
18 HD12 LEU 2 HD12 LEU 2 59.058 4.344 -6.644
19 HD13 LEU 2 HD13 LEU 2 60.057 2.935 -6.219
20 HD21 LEU 2 HD21 LEU 2 58.868 0.801 -5.693
21 HD22 LEU 2 HD22 LEU 2 57.391 0.404 -6.600
22 HD23 LEU 2 HD23 LEU 2 57.286 1.375 -5.112
23 H GLY 3 HN GLY 3 53.803 3.198 -6.029
24 HA2 GLY 3 HA1 GLY 3 52.671 5.026 -7.960
25 HA3 GLY 3 HA2 GLY 3 51.690 3.553 -7.827
26 H ALA 4 HN ALA 4 53.234 3.954 -4.918
27 HA ALA 4 HA ALA 4 51.562 6.020 -3.743
28 HB1 ALA 4 HB1 ALA 4 50.854 3.129 -3.134
29 HB2 ALA 4 HB2 ALA 4 49.854 4.263 -4.074
30 HB3 ALA 4 HB3 ALA 4 50.167 4.569 -2.348
31 H LEU 5 HN LEU 5 53.859 6.468 -3.252
32 HA LEU 5 HA LEU 5 54.460 5.534 -0.553
33 HB2 LEU 5 HB2 LEU 5 55.363 3.649 -1.915
34 HB3 LEU 5 HB1 LEU 5 56.384 4.801 -2.801
35 HG LEU 5 HG LEU 5 57.494 5.438 -0.646
36 HD11 LEU 5 HD11 LEU 5 57.093 3.603 1.235
37 HD12 LEU 5 HD12 LEU 5 55.515 3.403 0.438
38 HD13 LEU 5 HD13 LEU 5 55.983 4.983 1.110
39 HD21 LEU 5 HD21 LEU 5 58.780 3.338 -0.421
40 HD22 LEU 5 HD22 LEU 5 58.437 3.689 -2.132
41 HD23 LEU 5 HD23 LEU 5 57.494 2.451 -1.270
42 H ILE 6 HN ILE 6 55.084 7.410 -3.424
43 HA ILE 6 HA ILE 6 56.275 9.567 -1.706
44 HB ILE 6 HB ILE 6 58.004 9.919 -3.689
45 HG12 ILE 6 HG12 ILE 6 58.691 7.854 -4.835
46 HG13 ILE 6 HG11 ILE 6 57.413 6.941 -4.001
47 HG21 ILE 6 HG21 ILE 6 59.610 8.337 -2.607
48 HG22 ILE 6 HG22 ILE 6 58.247 7.601 -1.731
49 HG23 ILE 6 HG23 ILE 6 58.689 9.298 -1.427
50 HD11 ILE 6 HD1 ILE 6 56.740 9.364 -5.707
51 HD12 ILE 6 HD2 ILE 6 55.684 8.017 -5.214
52 HD13 ILE 6 HD3 ILE 6 56.949 7.754 -6.436
53 H LYS 7 HN LYS 7 56.960 11.235 -4.031
54 HA LYS 7 HA LYS 7 55.748 12.941 -5.052
55 HB2 LYS 7 HB2 LYS 7 54.334 10.457 -5.931
56 HB3 LYS 7 HB1 LYS 7 53.255 11.865 -5.860
57 HG2 LYS 7 HG2 LYS 7 54.174 11.768 -8.093
58 HG3 LYS 7 HG1 LYS 7 54.960 13.131 -7.262
59 HD2 LYS 7 HD2 LYS 7 56.858 11.533 -6.665
60 HD3 LYS 7 HD1 LYS 7 56.101 10.350 -7.760
61 HE2 LYS 7 HE2 LYS 7 57.824 11.585 -8.981
62 HE3 LYS 7 HE1 LYS 7 56.222 12.043 -9.606
63 HZ1 LYS 7 HZ1 LYS 7 56.673 14.136 -9.090
64 HZ2 LYS 7 HZ2 LYS 7 58.193 13.693 -8.472
65 HZ3 LYS 7 HZ3 LYS 7 56.835 13.723 -7.453
66 H GLY 8 HN GLY 8 55.834 11.883 -2.564
67 HA2 GLY 8 HA1 GLY 8 54.987 11.685 -0.528
68 HA3 GLY 8 HA2 GLY 8 54.565 13.422 -0.770
69 H ALA 9 HN ALA 9 53.474 10.134 -0.631
70 HA ALA 9 HA ALA 9 51.377 9.154 -0.785
71 HB1 ALA 9 HB1 ALA 9 49.775 10.186 0.850
72 HB2 ALA 9 HB2 ALA 9 50.907 11.550 1.017
73 HB3 ALA 9 HB3 ALA 9 51.407 9.912 1.503
74 H ILE 10 HN ILE 10 51.821 10.604 -3.084
75 HA ILE 10 HA ILE 10 50.807 11.917 -4.728
76 HB ILE 10 HB ILE 10 48.280 10.991 -5.072
77 HG12 ILE 10 HG12 ILE 10 49.586 8.924 -3.234
78 HG13 ILE 10 HG11 ILE 10 48.202 9.947 -2.805
79 HG21 ILE 10 HG21 ILE 10 50.694 9.152 -5.395
80 HG22 ILE 10 HG22 ILE 10 50.320 10.501 -6.492
81 HG23 ILE 10 HG23 ILE 10 49.195 9.137 -6.351
82 HD11 ILE 10 HD1 ILE 10 48.330 7.644 -4.764
83 HD12 ILE 10 HD2 ILE 10 47.111 8.923 -4.990
84 HD13 ILE 10 HD3 ILE 10 47.136 7.969 -3.488
85 H HIS 11 HN HIS 11 47.670 11.546 -3.179
86 HA HIS 11 HA HIS 11 47.004 14.267 -3.413
87 HB2 HIS 11 HB2 HIS 11 45.295 13.751 -1.608
88 HB3 HIS 11 HB1 HIS 11 45.271 12.672 -3.020
89 HD1 HIS 11 HD1 HIS 11 45.353 10.228 -2.521
90 HD2 HIS 11 HD2 HIS 11 46.852 12.542 0.651
91 HE1 HIS 11 HE1 HIS 11 45.953 8.624 -0.625
92 H GLY 12 HN GLY 12 49.391 12.917 -1.412
93 HA2 GLY 12 HA1 GLY 12 49.043 14.519 0.948
94 HA3 GLY 12 HA2 GLY 12 50.571 13.813 0.381
95 H GLY 13 HN GLY 13 49.453 15.444 -2.189
96 HA2 GLY 13 HA1 GLY 13 50.066 18.185 -1.439
97 HA3 GLY 13 HA2 GLY 13 51.399 17.403 -2.315
98 H ARG 14 HN ARG 14 49.581 15.663 -3.853
99 HA ARG 14 HA ARG 14 49.210 17.380 -6.116
100 HB2 ARG 14 HB2 ARG 14 49.550 14.919 -6.255
101 HB3 ARG 14 HB1 ARG 14 47.949 14.670 -5.533
102 HG2 ARG 14 HG2 ARG 14 47.800 14.448 -7.971
103 HG3 ARG 14 HG1 ARG 14 46.910 15.893 -7.453
104 HD2 ARG 14 HD2 ARG 14 48.509 17.360 -8.358
105 HD3 ARG 14 HD1 ARG 14 49.821 16.160 -8.257
106 HE ARG 14 HE ARG 14 47.935 16.466 -10.467
107 HH11 ARG 14 HH11 ARG 14 47.445 13.667 -9.888
108 HH12 ARG 14 HH12 ARG 14 48.754 12.843 -10.668
109 HH21 ARG 14 HH21 ARG 14 50.717 15.685 -10.967
110 HH22 ARG 14 HH22 ARG 14 50.606 13.985 -11.278
111 H PHE 15 HN PHE 15 46.987 16.154 -3.605
112 HA PHE 15 HA PHE 15 44.497 16.806 -4.547
113 HB2 PHE 15 HB2 PHE 15 45.063 15.992 -2.241
114 HB3 PHE 15 HB1 PHE 15 45.500 17.660 -1.809
115 HD1 PHE 15 HD1 PHE 15 42.736 15.350 -2.622
116 HD2 PHE 15 HD2 PHE 15 43.788 19.435 -1.707
117 HE1 PHE 15 HE1 PHE 15 40.338 15.871 -2.192
118 HE2 PHE 15 HE2 PHE 15 41.390 19.955 -1.276
119 HZ PHE 15 HZ PHE 15 39.661 18.184 -1.560
120 H ILE 16 HN ILE 16 46.775 19.180 -3.092
121 HA ILE 16 HA ILE 16 45.009 21.415 -3.526
122 HB ILE 16 HB ILE 16 48.047 21.589 -3.377
123 HG12 ILE 16 HG12 ILE 16 46.991 20.120 -1.519
124 HG13 ILE 16 HG11 ILE 16 47.997 21.484 -1.005
125 HG21 ILE 16 HG21 ILE 16 45.757 23.467 -2.673
126 HG22 ILE 16 HG22 ILE 16 47.013 23.688 -3.912
127 HG23 ILE 16 HG23 ILE 16 47.445 23.750 -2.187
128 HD11 ILE 16 HD1 ILE 16 46.079 22.809 -0.426
129 HD12 ILE 16 HD2 ILE 16 45.794 21.191 0.256
130 HD13 ILE 16 HD3 ILE 16 44.964 21.682 -1.235
131 H HIS 17 HN HIS 17 48.232 21.040 -5.086
132 HA HIS 17 HA HIS 17 47.124 21.116 -7.764
133 HB2 HIS 17 HB2 HIS 17 46.670 23.473 -7.041
134 HB3 HIS 17 HB1 HIS 17 48.413 23.683 -6.749
135 HD1 HIS 17 HD1 HIS 17 46.672 21.902 -9.672
136 HD2 HIS 17 HD2 HIS 17 49.097 25.256 -8.946
137 HE1 HIS 17 HE1 HIS 17 47.353 22.855 -11.943
138 H GLY 18 HN GLY 18 48.707 19.259 -7.127
139 HA2 GLY 18 HA1 GLY 18 50.753 18.291 -7.668
140 HA3 GLY 18 HA2 GLY 18 51.175 19.765 -8.534
141 H MET 19 HN MET 19 50.532 18.825 -5.185
142 HA MET 19 HA MET 19 51.664 19.575 -3.354
143 HB2 MET 19 HB2 MET 19 52.934 17.611 -4.209
144 HB3 MET 19 HB1 MET 19 54.066 18.791 -4.899
145 HG2 MET 19 HG2 MET 19 54.921 19.402 -2.800
146 HG3 MET 19 HG1 MET 19 53.419 18.984 -1.942
147 HE1 MET 19 HE1 MET 19 55.635 16.527 -0.145
148 HE2 MET 19 HE2 MET 19 54.074 17.377 -0.063
149 HE3 MET 19 HE3 MET 19 55.563 18.284 -0.419
150 H ILE 20 HN ILE 20 51.445 21.614 -5.590
151 HA ILE 20 HA ILE 20 52.219 23.788 -5.861
152 HB ILE 20 HB ILE 20 53.482 23.588 -3.082
153 HG12 ILE 20 HG12 ILE 20 51.225 22.881 -2.714
154 HG13 ILE 20 HG11 ILE 20 51.254 24.601 -2.286
155 HG21 ILE 20 HG21 ILE 20 52.593 25.868 -4.886
156 HG22 ILE 20 HG22 ILE 20 54.178 25.582 -4.145
157 HG23 ILE 20 HG23 ILE 20 52.810 26.093 -3.136
158 HD11 ILE 20 HD1 ILE 20 50.442 25.062 -4.689
159 HD12 ILE 20 HD2 ILE 20 49.280 24.280 -3.601
160 HD13 ILE 20 HD3 ILE 20 50.148 23.313 -4.814
161 H GLN 21 HN GLN 21 53.991 21.012 -5.235
162 HA GLN 21 HA GLN 21 56.599 22.301 -6.147
163 HB2 GLN 21 HB2 GLN 21 56.533 21.107 -3.879
164 HB3 GLN 21 HB1 GLN 21 56.272 19.600 -4.786
165 HG2 GLN 21 HG2 GLN 21 58.641 19.758 -4.439
166 HG3 GLN 21 HG1 GLN 21 58.364 20.201 -6.140
167 HE21 GLN 21 HE21 GLN 21 58.359 21.891 -2.906
168 HE22 GLN 21 HE22 GLN 21 59.262 23.290 -3.494
169 H ASN 22 HN ASN 22 54.235 19.627 -6.646
170 HA ASN 22 HA ASN 22 55.805 18.638 -8.957
171 HB2 ASN 22 HB2 ASN 22 54.598 16.990 -7.603
172 HB3 ASN 22 HB1 ASN 22 53.079 17.890 -7.805
173 HD21 ASN 22 HD21 ASN 22 51.769 16.735 -9.224
174 HD22 ASN 22 HD22 ASN 22 52.336 16.015 -10.735
175 H HIS 23 HN HIS 23 53.142 20.710 -8.011
176 HA HIS 23 HA HIS 23 51.798 22.131 -9.296
177 HB2 HIS 23 HB2 HIS 23 54.237 21.970 -11.108
178 HB3 HIS 23 HB1 HIS 23 52.872 23.073 -11.398
179 HD1 HIS 23 HD1 HIS 23 52.319 24.814 -9.398
180 HD2 HIS 23 HD2 HIS 23 56.096 22.973 -9.312
181 HE1 HIS 23 HE1 HIS 23 53.779 26.149 -7.782
182 H HIS 24 HN HIS 24 50.708 22.447 -11.506
183 HA HIS 24 HA HIS 24 49.255 21.493 -13.046
184 HB2 HIS 24 HB2 HIS 24 51.620 19.622 -13.472
185 HB3 HIS 24 HB1 HIS 24 50.250 19.839 -14.589
186 HD1 HIS 24 HD1 HIS 24 50.873 23.057 -13.108
187 HD2 HIS 24 HD2 HIS 24 52.773 20.817 -16.116
188 HE1 HIS 24 HE1 HIS 24 52.237 24.687 -14.525
Start of MODEL 27
1 H1 PHE 1 HT1 PHE 1 50.325 1.778 -4.905
2 H2 PHE 1 HT2 PHE 1 51.567 2.626 -4.113
3 H3 PHE 1 HT3 PHE 1 50.473 1.683 -3.219
4 HA PHE 1 HA PHE 1 52.485 0.504 -3.355
5 HB2 PHE 1 HB2 PHE 1 50.335 -0.535 -5.242
6 HB3 PHE 1 HB1 PHE 1 51.708 -1.508 -4.664
7 HD1 PHE 1 HD1 PHE 1 48.488 0.033 -3.771
8 HD2 PHE 1 HD2 PHE 1 51.954 -2.037 -2.241
9 HE1 PHE 1 HE1 PHE 1 47.263 -0.458 -1.657
10 HE2 PHE 1 HE2 PHE 1 50.728 -2.526 -0.128
11 HZ PHE 1 HZ PHE 1 48.367 -1.778 0.144
12 H LEU 2 HN LEU 2 52.613 2.796 -5.324
13 HA LEU 2 HA LEU 2 53.654 1.648 -7.796
14 HB2 LEU 2 HB2 LEU 2 54.221 4.447 -6.767
15 HB3 LEU 2 HB1 LEU 2 54.078 3.886 -8.450
16 HG LEU 2 HG LEU 2 51.831 4.070 -6.394
17 HD11 LEU 2 HD11 LEU 2 52.383 5.554 -9.003
18 HD12 LEU 2 HD12 LEU 2 52.516 6.234 -7.363
19 HD13 LEU 2 HD13 LEU 2 50.927 5.746 -7.998
20 HD21 LEU 2 HD21 LEU 2 50.419 3.468 -8.475
21 HD22 LEU 2 HD22 LEU 2 51.348 2.143 -7.736
22 HD23 LEU 2 HD23 LEU 2 51.945 2.929 -9.218
23 H GLY 3 HN GLY 3 55.935 2.567 -8.504
24 HA2 GLY 3 HA1 GLY 3 57.841 1.171 -6.826
25 HA3 GLY 3 HA2 GLY 3 58.197 2.088 -8.302
26 H ALA 4 HN ALA 4 56.389 3.895 -6.059
27 HA ALA 4 HA ALA 4 58.650 4.841 -4.457
28 HB1 ALA 4 HB1 ALA 4 59.197 5.988 -6.528
29 HB2 ALA 4 HB2 ALA 4 58.569 7.168 -5.353
30 HB3 ALA 4 HB3 ALA 4 57.529 6.588 -6.677
31 H LEU 5 HN LEU 5 57.314 4.432 -2.706
32 HA LEU 5 HA LEU 5 54.609 5.475 -2.559
33 HB2 LEU 5 HB2 LEU 5 56.576 4.334 -0.545
34 HB3 LEU 5 HB1 LEU 5 55.009 4.996 -0.026
35 HG LEU 5 HG LEU 5 53.834 3.436 -1.545
36 HD11 LEU 5 HD11 LEU 5 55.352 3.097 -3.350
37 HD12 LEU 5 HD12 LEU 5 55.308 1.529 -2.512
38 HD13 LEU 5 HD13 LEU 5 56.681 2.634 -2.260
39 HD21 LEU 5 HD21 LEU 5 54.242 1.414 -0.264
40 HD22 LEU 5 HD22 LEU 5 54.478 2.802 0.827
41 HD23 LEU 5 HD23 LEU 5 55.887 1.951 0.152
42 H ILE 6 HN ILE 6 54.944 7.679 -3.246
43 HA ILE 6 HA ILE 6 55.403 9.440 -0.903
44 HB ILE 6 HB ILE 6 56.867 10.402 -3.393
45 HG12 ILE 6 HG12 ILE 6 58.094 8.285 -1.564
46 HG13 ILE 6 HG11 ILE 6 57.631 8.033 -3.265
47 HG21 ILE 6 HG21 ILE 6 58.215 11.552 -1.819
48 HG22 ILE 6 HG22 ILE 6 57.840 10.405 -0.510
49 HG23 ILE 6 HG23 ILE 6 56.605 11.556 -1.066
50 HD11 ILE 6 HD1 ILE 6 59.178 10.036 -3.803
51 HD12 ILE 6 HD2 ILE 6 59.964 8.511 -3.328
52 HD13 ILE 6 HD3 ILE 6 59.809 9.835 -2.150
53 H LYS 7 HN LYS 7 55.490 11.870 -2.443
54 HA LYS 7 HA LYS 7 53.758 13.312 -3.055
55 HB2 LYS 7 HB2 LYS 7 52.452 11.038 -4.617
56 HB3 LYS 7 HB1 LYS 7 52.445 12.780 -4.986
57 HG2 LYS 7 HG2 LYS 7 54.973 12.596 -5.332
58 HG3 LYS 7 HG1 LYS 7 54.763 10.829 -5.261
59 HD2 LYS 7 HD2 LYS 7 53.123 10.966 -7.133
60 HD3 LYS 7 HD1 LYS 7 53.394 12.723 -7.224
61 HE2 LYS 7 HE2 LYS 7 55.732 12.398 -7.799
62 HE3 LYS 7 HE1 LYS 7 55.603 10.644 -7.522
63 HZ1 LYS 7 HZ1 LYS 7 54.513 10.329 -9.463
64 HZ2 LYS 7 HZ2 LYS 7 55.347 11.739 -9.914
65 HZ3 LYS 7 HZ3 LYS 7 53.723 11.829 -9.419
66 H GLY 8 HN GLY 8 54.084 11.477 -1.093
67 HA2 GLY 8 HA1 GLY 8 53.321 10.369 0.625
68 HA3 GLY 8 HA2 GLY 8 52.076 11.671 0.755
69 H ALA 9 HN ALA 9 52.808 8.814 -1.270
70 HA ALA 9 HA ALA 9 51.518 7.019 -1.929
71 HB1 ALA 9 HB1 ALA 9 49.971 6.093 -0.382
72 HB2 ALA 9 HB2 ALA 9 49.646 7.678 0.360
73 HB3 ALA 9 HB3 ALA 9 51.224 6.889 0.598
74 H ILE 10 HN ILE 10 50.651 10.079 -2.325
75 HA ILE 10 HA ILE 10 48.562 9.407 -4.245
76 HB ILE 10 HB ILE 10 47.010 11.303 -2.969
77 HG12 ILE 10 HG12 ILE 10 48.119 9.610 -0.689
78 HG13 ILE 10 HG11 ILE 10 48.716 11.242 -1.052
79 HG21 ILE 10 HG21 ILE 10 46.374 8.932 -3.780
80 HG22 ILE 10 HG22 ILE 10 45.483 9.585 -2.395
81 HG23 ILE 10 HG23 ILE 10 46.765 8.388 -2.134
82 HD11 ILE 10 HD1 ILE 10 45.893 10.433 -0.241
83 HD12 ILE 10 HD2 ILE 10 46.297 12.048 -0.874
84 HD13 ILE 10 HD3 ILE 10 47.024 11.479 0.646
85 H HIS 11 HN HIS 11 48.607 12.430 -2.428
86 HA HIS 11 HA HIS 11 50.380 13.739 -4.416
87 HB2 HIS 11 HB2 HIS 11 48.012 13.751 -5.359
88 HB3 HIS 11 HB1 HIS 11 47.550 14.758 -3.966
89 HD1 HIS 11 HD1 HIS 11 48.504 17.184 -3.831
90 HD2 HIS 11 HD2 HIS 11 49.571 15.084 -7.315
91 HE1 HIS 11 HE1 HIS 11 49.503 18.876 -5.463
92 H GLY 12 HN GLY 12 50.227 13.091 -1.469
93 HA2 GLY 12 HA1 GLY 12 51.142 14.226 0.359
94 HA3 GLY 12 HA2 GLY 12 51.078 15.749 -0.550
95 H GLY 13 HN GLY 13 48.548 13.368 0.329
96 HA2 GLY 13 HA1 GLY 13 46.565 13.657 1.479
97 HA3 GLY 13 HA2 GLY 13 47.397 14.909 2.421
98 H ARG 14 HN ARG 14 47.673 15.747 -0.777
99 HA ARG 14 HA ARG 14 45.811 17.944 -0.478
100 HB2 ARG 14 HB2 ARG 14 48.035 17.486 -2.019
101 HB3 ARG 14 HB1 ARG 14 46.771 17.201 -3.231
102 HG2 ARG 14 HG2 ARG 14 47.046 19.705 -1.498
103 HG3 ARG 14 HG1 ARG 14 47.502 19.574 -3.213
104 HD2 ARG 14 HD2 ARG 14 45.038 18.821 -3.604
105 HD3 ARG 14 HD1 ARG 14 44.731 19.484 -1.979
106 HE ARG 14 HE ARG 14 44.884 21.632 -2.928
107 HH11 ARG 14 HH11 ARG 14 46.289 19.237 -4.967
108 HH12 ARG 14 HH12 ARG 14 46.761 20.365 -6.194
109 HH21 ARG 14 HH21 ARG 14 45.581 23.136 -4.474
110 HH22 ARG 14 HH22 ARG 14 46.359 22.573 -5.916
111 H PHE 15 HN PHE 15 45.485 14.673 -1.365
112 HA PHE 15 HA PHE 15 43.452 14.765 -3.340
113 HB2 PHE 15 HB2 PHE 15 44.647 12.708 -2.566
114 HB3 PHE 15 HB1 PHE 15 43.701 12.767 -1.059
115 HD1 PHE 15 HD1 PHE 15 41.339 12.189 -1.026
116 HD2 PHE 15 HD2 PHE 15 43.528 12.294 -4.745
117 HE1 PHE 15 HE1 PHE 15 39.452 11.032 -2.168
118 HE2 PHE 15 HE2 PHE 15 41.639 11.137 -5.888
119 HZ PHE 15 HZ PHE 15 39.621 10.465 -4.590
120 H ILE 16 HN ILE 16 43.138 14.636 0.247
121 HA ILE 16 HA ILE 16 40.242 14.936 0.088
122 HB ILE 16 HB ILE 16 41.885 15.523 2.586
123 HG12 ILE 16 HG12 ILE 16 41.137 12.786 1.446
124 HG13 ILE 16 HG11 ILE 16 42.786 13.439 1.576
125 HG21 ILE 16 HG21 ILE 16 39.892 14.596 3.696
126 HG22 ILE 16 HG22 ILE 16 39.190 14.162 2.121
127 HG23 ILE 16 HG23 ILE 16 39.396 15.873 2.563
128 HD11 ILE 16 HD1 ILE 16 42.177 13.717 4.143
129 HD12 ILE 16 HD2 ILE 16 42.649 12.121 3.515
130 HD13 ILE 16 HD3 ILE 16 40.932 12.497 3.777
131 H HIS 17 HN HIS 17 42.451 17.119 1.951
132 HA HIS 17 HA HIS 17 41.632 19.431 0.341
133 HB2 HIS 17 HB2 HIS 17 40.522 19.038 3.150
134 HB3 HIS 17 HB1 HIS 17 40.605 20.617 2.340
135 HD1 HIS 17 HD1 HIS 17 38.474 17.674 2.719
136 HD2 HIS 17 HD2 HIS 17 39.089 20.604 -0.233
137 HE1 HIS 17 HE1 HIS 17 36.491 17.565 1.112
138 H GLY 18 HN GLY 18 44.017 19.126 0.253
139 HA2 GLY 18 HA1 GLY 18 46.125 19.881 0.854
140 HA3 GLY 18 HA2 GLY 18 45.318 21.066 1.881
141 H MET 19 HN MET 19 44.978 17.593 2.258
142 HA MET 19 HA MET 19 45.725 16.357 4.029
143 HB2 MET 19 HB2 MET 19 47.975 17.563 3.487
144 HB3 MET 19 HB1 MET 19 47.628 18.406 5.011
145 HG2 MET 19 HG2 MET 19 47.551 16.281 6.224
146 HG3 MET 19 HG1 MET 19 47.753 15.370 4.711
147 HE1 MET 19 HE1 MET 19 51.088 15.008 6.808
148 HE2 MET 19 HE2 MET 19 49.801 14.113 5.965
149 HE3 MET 19 HE3 MET 19 49.401 15.141 7.361
150 H ILE 20 HN ILE 20 44.027 18.979 4.181
151 HA ILE 20 HA ILE 20 42.734 19.938 5.849
152 HB ILE 20 HB ILE 20 43.229 17.209 7.149
153 HG12 ILE 20 HG12 ILE 20 40.738 17.042 6.795
154 HG13 ILE 20 HG11 ILE 20 40.786 18.620 5.979
155 HG21 ILE 20 HG21 ILE 20 41.430 17.977 8.823
156 HG22 ILE 20 HG22 ILE 20 41.778 19.634 8.279
157 HG23 ILE 20 HG23 ILE 20 43.054 18.662 9.049
158 HD11 ILE 20 HD1 ILE 20 42.172 17.756 4.213
159 HD12 ILE 20 HD2 ILE 20 40.872 16.577 4.455
160 HD13 ILE 20 HD3 ILE 20 42.493 16.255 5.109
161 H GLN 21 HN GLN 21 45.949 18.999 6.025
162 HA GLN 21 HA GLN 21 46.450 20.744 8.471
163 HB2 GLN 21 HB2 GLN 21 47.150 18.259 8.503
164 HB3 GLN 21 HB1 GLN 21 48.351 18.693 7.267
165 HG2 GLN 21 HG2 GLN 21 49.407 20.293 8.769
166 HG3 GLN 21 HG1 GLN 21 48.119 20.077 9.979
167 HE21 GLN 21 HE21 GLN 21 47.789 17.335 10.141
168 HE22 GLN 21 HE22 GLN 21 49.305 16.573 10.630
169 H ASN 22 HN ASN 22 46.416 20.705 5.115
170 HA ASN 22 HA ASN 22 48.551 22.821 5.024
171 HB2 ASN 22 HB2 ASN 22 48.769 20.319 3.785
172 HB3 ASN 22 HB1 ASN 22 48.006 21.286 2.502
173 HD21 ASN 22 HD21 ASN 22 49.187 23.178 1.661
174 HD22 ASN 22 HD22 ASN 22 50.925 23.329 1.937
175 H HIS 23 HN HIS 23 45.475 21.361 4.080
176 HA HIS 23 HA HIS 23 43.598 22.354 3.070
177 HB2 HIS 23 HB2 HIS 23 44.761 24.736 4.557
178 HB3 HIS 23 HB1 HIS 23 43.170 24.762 3.761
179 HD1 HIS 23 HD1 HIS 23 44.495 24.330 7.000
180 HD2 HIS 23 HD2 HIS 23 41.660 22.199 4.739
181 HE1 HIS 23 HE1 HIS 23 43.112 22.931 8.631
182 H HIS 24 HN HIS 24 46.480 22.675 1.811
183 HA HIS 24 HA HIS 24 45.498 23.906 -0.627
184 HB2 HIS 24 HB2 HIS 24 45.946 25.940 0.792
185 HB3 HIS 24 HB1 HIS 24 47.654 25.445 0.870
186 HD1 HIS 24 HD1 HIS 24 44.958 26.260 -1.743
187 HD2 HIS 24 HD2 HIS 24 49.139 26.329 -1.292
188 HE1 HIS 24 HE1 HIS 24 45.936 27.297 -3.864
Start of MODEL 28
1 H1 PHE 1 HT1 PHE 1 62.406 6.521 4.164
2 H2 PHE 1 HT2 PHE 1 62.076 4.863 3.998
3 H3 PHE 1 HT3 PHE 1 63.404 5.381 4.923
4 HA PHE 1 HA PHE 1 61.998 4.988 6.591
5 HB2 PHE 1 HB2 PHE 1 60.937 7.703 5.730
6 HB3 PHE 1 HB1 PHE 1 61.097 7.062 7.382
7 HD1 PHE 1 HD1 PHE 1 63.407 6.607 8.322
8 HD2 PHE 1 HD2 PHE 1 62.795 8.757 4.630
9 HE1 PHE 1 HE1 PHE 1 65.728 7.504 8.459
10 HE2 PHE 1 HE2 PHE 1 65.116 9.655 4.768
11 HZ PHE 1 HZ PHE 1 66.564 9.067 6.709
12 H LEU 2 HN LEU 2 59.846 6.883 4.423
13 HA LEU 2 HA LEU 2 57.535 5.317 5.238
14 HB2 LEU 2 HB2 LEU 2 57.693 7.085 2.775
15 HB3 LEU 2 HB1 LEU 2 56.285 6.739 3.808
16 HG LEU 2 HG LEU 2 58.758 8.354 4.574
17 HD11 LEU 2 HD11 LEU 2 57.228 10.234 4.661
18 HD12 LEU 2 HD12 LEU 2 55.826 9.171 4.387
19 HD13 LEU 2 HD13 LEU 2 57.012 9.436 3.086
20 HD21 LEU 2 HD21 LEU 2 57.328 8.785 6.688
21 HD22 LEU 2 HD22 LEU 2 58.097 7.188 6.561
22 HD23 LEU 2 HD23 LEU 2 56.365 7.372 6.190
23 H GLY 3 HN GLY 3 59.547 5.501 2.281
24 HA2 GLY 3 HA1 GLY 3 59.915 3.887 0.658
25 HA3 GLY 3 HA2 GLY 3 59.121 2.702 1.713
26 H ALA 4 HN ALA 4 56.885 5.016 1.604
27 HA ALA 4 HA ALA 4 55.095 3.594 -0.067
28 HB1 ALA 4 HB1 ALA 4 55.111 6.548 0.645
29 HB2 ALA 4 HB2 ALA 4 54.373 5.239 1.600
30 HB3 ALA 4 HB3 ALA 4 53.720 5.648 -0.006
31 H LEU 5 HN LEU 5 53.904 5.107 -1.894
32 HA LEU 5 HA LEU 5 55.804 5.031 -4.112
33 HB2 LEU 5 HB2 LEU 5 53.016 6.229 -4.196
34 HB3 LEU 5 HB1 LEU 5 53.926 5.434 -5.503
35 HG LEU 5 HG LEU 5 52.807 4.101 -2.996
36 HD11 LEU 5 HD11 LEU 5 51.357 2.920 -4.585
37 HD12 LEU 5 HD12 LEU 5 52.135 3.752 -5.952
38 HD13 LEU 5 HD13 LEU 5 51.157 4.675 -4.786
39 HD21 LEU 5 HD21 LEU 5 54.588 3.084 -5.250
40 HD22 LEU 5 HD22 LEU 5 53.586 1.987 -4.268
41 HD23 LEU 5 HD23 LEU 5 54.855 2.963 -3.495
42 H ILE 6 HN ILE 6 55.910 7.073 -1.747
43 HA ILE 6 HA ILE 6 56.332 9.358 -1.445
44 HB ILE 6 HB ILE 6 57.579 9.548 -4.220
45 HG12 ILE 6 HG12 ILE 6 58.037 7.170 -3.561
46 HG13 ILE 6 HG11 ILE 6 59.499 8.166 -3.637
47 HG21 ILE 6 HG21 ILE 6 58.500 10.225 -1.386
48 HG22 ILE 6 HG22 ILE 6 57.935 11.361 -2.627
49 HG23 ILE 6 HG23 ILE 6 59.468 10.492 -2.852
50 HD11 ILE 6 HD1 ILE 6 59.175 6.577 -1.580
51 HD12 ILE 6 HD2 ILE 6 58.035 7.808 -1.000
52 HD13 ILE 6 HD3 ILE 6 59.738 8.237 -1.287
53 H LYS 7 HN LYS 7 56.694 11.224 -3.868
54 HA LYS 7 HA LYS 7 55.250 12.909 -4.577
55 HB2 LYS 7 HB2 LYS 7 54.356 10.781 -5.976
56 HB3 LYS 7 HB1 LYS 7 52.968 10.918 -4.875
57 HG2 LYS 7 HG2 LYS 7 52.273 12.289 -6.654
58 HG3 LYS 7 HG1 LYS 7 53.021 13.485 -5.573
59 HD2 LYS 7 HD2 LYS 7 55.120 13.372 -6.876
60 HD3 LYS 7 HD1 LYS 7 54.413 12.122 -7.927
61 HE2 LYS 7 HE2 LYS 7 53.189 14.885 -7.563
62 HE3 LYS 7 HE1 LYS 7 54.332 14.486 -8.868
63 HZ1 LYS 7 HZ1 LYS 7 52.816 13.204 -9.923
64 HZ2 LYS 7 HZ2 LYS 7 51.712 14.215 -9.117
65 HZ3 LYS 7 HZ3 LYS 7 52.071 12.676 -8.494
66 H GLY 8 HN GLY 8 55.707 11.756 -2.172
67 HA2 GLY 8 HA1 GLY 8 55.114 11.390 -0.061
68 HA3 GLY 8 HA2 GLY 8 54.611 13.122 -0.144
69 H ALA 9 HN ALA 9 53.604 9.762 -0.358
70 HA ALA 9 HA ALA 9 51.556 8.733 -0.105
71 HB1 ALA 9 HB1 ALA 9 50.017 9.729 1.540
72 HB2 ALA 9 HB2 ALA 9 50.929 11.257 1.474
73 HB3 ALA 9 HB3 ALA 9 51.698 9.788 2.122
74 H ILE 10 HN ILE 10 51.443 9.198 -2.479
75 HA ILE 10 HA ILE 10 50.147 9.755 -4.307
76 HB ILE 10 HB ILE 10 48.143 10.121 -2.061
77 HG12 ILE 10 HG12 ILE 10 46.876 8.495 -3.428
78 HG13 ILE 10 HG11 ILE 10 48.112 8.602 -4.705
79 HG21 ILE 10 HG21 ILE 10 47.455 12.052 -3.240
80 HG22 ILE 10 HG22 ILE 10 46.408 10.765 -3.880
81 HG23 ILE 10 HG23 ILE 10 47.810 11.322 -4.826
82 HD11 ILE 10 HD1 ILE 10 48.758 7.811 -1.835
83 HD12 ILE 10 HD2 ILE 10 49.798 7.652 -3.272
84 HD13 ILE 10 HD3 ILE 10 48.354 6.625 -3.100
85 H HIS 11 HN HIS 11 49.189 12.337 -2.004
86 HA HIS 11 HA HIS 11 50.882 14.299 -3.406
87 HB2 HIS 11 HB2 HIS 11 47.838 14.379 -3.550
88 HB3 HIS 11 HB1 HIS 11 48.872 15.797 -3.846
89 HD1 HIS 11 HD1 HIS 11 47.106 13.424 -5.729
90 HD2 HIS 11 HD2 HIS 11 51.059 14.844 -5.894
91 HE1 HIS 11 HE1 HIS 11 48.020 12.864 -8.047
92 H GLY 12 HN GLY 12 49.742 12.913 -0.782
93 HA2 GLY 12 HA1 GLY 12 50.241 13.693 1.428
94 HA3 GLY 12 HA2 GLY 12 50.078 15.376 0.885
95 H GLY 13 HN GLY 13 47.898 12.585 0.400
96 HA2 GLY 13 HA1 GLY 13 45.686 12.292 1.004
97 HA3 GLY 13 HA2 GLY 13 46.042 13.259 2.450
98 H ARG 14 HN ARG 14 46.670 14.684 -0.642
99 HA ARG 14 HA ARG 14 44.592 16.714 -0.131
100 HB2 ARG 14 HB2 ARG 14 46.804 17.411 -0.932
101 HB3 ARG 14 HB1 ARG 14 46.639 16.375 -2.367
102 HG2 ARG 14 HG2 ARG 14 46.150 18.781 -2.851
103 HG3 ARG 14 HG1 ARG 14 44.759 17.730 -3.182
104 HD2 ARG 14 HD2 ARG 14 43.570 18.501 -1.294
105 HD3 ARG 14 HD1 ARG 14 45.045 19.059 -0.466
106 HE ARG 14 HE ARG 14 43.493 20.574 -2.429
107 HH11 ARG 14 HH11 ARG 14 45.318 21.580 -3.908
108 HH12 ARG 14 HH12 ARG 14 46.463 22.484 -2.975
109 HH21 ARG 14 HH21 ARG 14 45.516 21.074 0.047
110 HH22 ARG 14 HH22 ARG 14 46.575 22.198 -0.736
111 H PHE 15 HN PHE 15 44.959 13.786 -1.919
112 HA PHE 15 HA PHE 15 43.059 14.396 -4.027
113 HB2 PHE 15 HB2 PHE 15 44.791 12.588 -4.151
114 HB3 PHE 15 HB1 PHE 15 43.873 11.679 -2.928
115 HD1 PHE 15 HD1 PHE 15 41.643 10.751 -3.445
116 HD2 PHE 15 HD2 PHE 15 43.943 12.862 -6.426
117 HE1 PHE 15 HE1 PHE 15 40.149 9.861 -5.230
118 HE2 PHE 15 HE2 PHE 15 42.448 11.972 -8.210
119 HZ PHE 15 HZ PHE 15 40.599 10.411 -7.619
120 H ILE 16 HN ILE 16 42.860 13.099 -0.739
121 HA ILE 16 HA ILE 16 40.117 12.185 -1.005
122 HB ILE 16 HB ILE 16 41.864 12.829 1.408
123 HG12 ILE 16 HG12 ILE 16 41.730 10.348 1.707
124 HG13 ILE 16 HG11 ILE 16 40.750 10.239 0.229
125 HG21 ILE 16 HG21 ILE 16 39.639 13.269 2.201
126 HG22 ILE 16 HG22 ILE 16 39.985 11.597 2.693
127 HG23 ILE 16 HG23 ILE 16 38.960 11.913 1.272
128 HD11 ILE 16 HD1 ILE 16 42.558 10.804 -1.171
129 HD12 ILE 16 HD2 ILE 16 43.354 9.830 0.084
130 HD13 ILE 16 HD3 ILE 16 43.459 11.605 0.139
131 H HIS 17 HN HIS 17 41.183 14.762 1.296
132 HA HIS 17 HA HIS 17 39.210 16.624 0.019
133 HB2 HIS 17 HB2 HIS 17 39.086 15.791 2.947
134 HB3 HIS 17 HB1 HIS 17 38.117 17.075 2.184
135 HD1 HIS 17 HD1 HIS 17 37.708 13.737 3.231
136 HD2 HIS 17 HD2 HIS 17 36.755 15.783 -0.317
137 HE1 HIS 17 HE1 HIS 17 35.949 12.351 1.999
138 H GLY 18 HN GLY 18 42.131 15.951 1.591
139 HA2 GLY 18 HA1 GLY 18 43.285 18.455 1.241
140 HA3 GLY 18 HA2 GLY 18 42.532 18.537 2.852
141 H MET 19 HN MET 19 42.874 16.460 4.137
142 HA MET 19 HA MET 19 45.274 15.019 3.843
143 HB2 MET 19 HB2 MET 19 46.122 17.402 4.421
144 HB3 MET 19 HB1 MET 19 45.485 17.041 6.040
145 HG2 MET 19 HG2 MET 19 46.975 15.128 6.266
146 HG3 MET 19 HG1 MET 19 47.496 15.273 4.572
147 HE1 MET 19 HE1 MET 19 49.032 15.718 7.909
148 HE2 MET 19 HE2 MET 19 50.478 16.198 6.991
149 HE3 MET 19 HE3 MET 19 49.465 14.854 6.415
150 H ILE 20 HN ILE 20 42.469 14.866 4.338
151 HA ILE 20 HA ILE 20 41.053 13.743 5.792
152 HB ILE 20 HB ILE 20 43.694 12.535 6.777
153 HG12 ILE 20 HG12 ILE 20 42.893 10.533 5.639
154 HG13 ILE 20 HG11 ILE 20 41.329 11.308 5.294
155 HG21 ILE 20 HG21 ILE 20 42.334 12.412 8.719
156 HG22 ILE 20 HG22 ILE 20 42.072 10.848 7.917
157 HG23 ILE 20 HG23 ILE 20 40.852 12.136 7.772
158 HD11 ILE 20 HD1 ILE 20 42.279 12.794 3.711
159 HD12 ILE 20 HD2 ILE 20 43.109 11.254 3.391
160 HD13 ILE 20 HD3 ILE 20 43.933 12.531 4.312
161 H GLN 21 HN GLN 21 43.389 16.000 6.400
162 HA GLN 21 HA GLN 21 42.124 16.692 9.102
163 HB2 GLN 21 HB2 GLN 21 44.451 15.657 9.275
164 HB3 GLN 21 HB1 GLN 21 45.057 17.091 8.416
165 HG2 GLN 21 HG2 GLN 21 45.301 17.544 10.768
166 HG3 GLN 21 HG1 GLN 21 43.913 18.507 10.213
167 HE21 GLN 21 HE21 GLN 21 43.013 18.503 12.426
168 HE22 GLN 21 HE22 GLN 21 42.241 17.044 13.056
169 H ASN 22 HN ASN 22 43.481 17.767 5.989
170 HA ASN 22 HA ASN 22 43.162 20.616 6.798
171 HB2 ASN 22 HB2 ASN 22 44.217 19.185 4.341
172 HB3 ASN 22 HB1 ASN 22 43.864 20.927 4.304
173 HD21 ASN 22 HD21 ASN 22 46.438 20.651 3.883
174 HD22 ASN 22 HD22 ASN 22 47.413 20.820 5.346
175 H HIS 23 HN HIS 23 41.552 18.095 4.909
176 HA HIS 23 HA HIS 23 39.551 18.152 3.722
177 HB2 HIS 23 HB2 HIS 23 38.891 18.515 6.174
178 HB3 HIS 23 HB1 HIS 23 38.708 20.238 5.768
179 HD1 HIS 23 HD1 HIS 23 36.547 20.953 4.695
180 HD2 HIS 23 HD2 HIS 23 37.082 16.783 4.620
181 HE1 HIS 23 HE1 HIS 23 34.401 19.926 3.764
182 H HIS 24 HN HIS 24 37.679 19.875 2.983
183 HA HIS 24 HA HIS 24 37.247 21.537 1.427
184 HB2 HIS 24 HB2 HIS 24 39.526 23.027 2.786
185 HB3 HIS 24 HB1 HIS 24 38.191 23.729 1.840
186 HD1 HIS 24 HD1 HIS 24 39.169 22.995 5.251
187 HD2 HIS 24 HD2 HIS 24 35.534 22.924 3.139
188 HE1 HIS 24 HE1 HIS 24 37.285 23.094 6.974
Start of MODEL 29
1 H1 PHE 1 HT1 PHE 1 62.788 6.986 5.114
2 H2 PHE 1 HT2 PHE 1 63.802 5.819 5.820
3 H3 PHE 1 HT3 PHE 1 63.432 7.250 6.659
4 HA PHE 1 HA PHE 1 62.095 4.809 6.673
5 HB2 PHE 1 HB2 PHE 1 61.576 7.517 7.960
6 HB3 PHE 1 HB1 PHE 1 60.731 6.014 8.403
7 HD1 PHE 1 HD1 PHE 1 61.842 4.268 9.671
8 HD2 PHE 1 HD2 PHE 1 64.027 7.745 8.342
9 HE1 PHE 1 HE1 PHE 1 63.743 3.641 11.155
10 HE2 PHE 1 HE2 PHE 1 65.928 7.117 9.827
11 HZ PHE 1 HZ PHE 1 65.799 5.046 11.206
12 H LEU 2 HN LEU 2 61.714 5.594 4.073
13 HA LEU 2 HA LEU 2 59.190 7.012 3.741
14 HB2 LEU 2 HB2 LEU 2 60.469 5.123 1.736
15 HB3 LEU 2 HB1 LEU 2 59.431 6.534 1.422
16 HG LEU 2 HG LEU 2 62.248 6.589 2.594
17 HD11 LEU 2 HD11 LEU 2 62.043 6.121 0.130
18 HD12 LEU 2 HD12 LEU 2 62.854 7.665 0.489
19 HD13 LEU 2 HD13 LEU 2 61.157 7.655 -0.047
20 HD21 LEU 2 HD21 LEU 2 61.080 8.405 3.614
21 HD22 LEU 2 HD22 LEU 2 60.150 8.750 2.135
22 HD23 LEU 2 HD23 LEU 2 61.887 9.134 2.207
23 H GLY 3 HN GLY 3 57.763 5.520 1.939
24 HA2 GLY 3 HA1 GLY 3 57.243 2.839 2.878
25 HA3 GLY 3 HA2 GLY 3 56.077 3.986 3.565
26 H ALA 4 HN ALA 4 55.041 5.507 1.934
27 HA ALA 4 HA ALA 4 53.836 3.845 -0.132
28 HB1 ALA 4 HB1 ALA 4 52.484 5.801 -0.613
29 HB2 ALA 4 HB2 ALA 4 53.592 6.839 0.316
30 HB3 ALA 4 HB3 ALA 4 52.617 5.603 1.150
31 H LEU 5 HN LEU 5 53.431 5.362 -2.301
32 HA LEU 5 HA LEU 5 56.034 5.206 -3.641
33 HB2 LEU 5 HB2 LEU 5 53.214 5.931 -4.508
34 HB3 LEU 5 HB1 LEU 5 54.599 6.096 -5.612
35 HG LEU 5 HG LEU 5 55.152 3.688 -5.240
36 HD11 LEU 5 HD11 LEU 5 52.676 3.857 -3.479
37 HD12 LEU 5 HD12 LEU 5 54.274 3.171 -3.093
38 HD13 LEU 5 HD13 LEU 5 53.189 2.317 -4.210
39 HD21 LEU 5 HD21 LEU 5 53.712 4.432 -7.136
40 HD22 LEU 5 HD22 LEU 5 52.273 4.197 -6.116
41 HD23 LEU 5 HD23 LEU 5 53.277 2.801 -6.574
42 H ILE 6 HN ILE 6 55.911 7.139 -1.492
43 HA ILE 6 HA ILE 6 56.319 9.414 -1.044
44 HB ILE 6 HB ILE 6 57.650 9.654 -3.787
45 HG12 ILE 6 HG12 ILE 6 58.621 7.878 -1.498
46 HG13 ILE 6 HG11 ILE 6 58.161 7.342 -3.133
47 HG21 ILE 6 HG21 ILE 6 59.217 10.993 -2.611
48 HG22 ILE 6 HG22 ILE 6 58.803 10.271 -1.037
49 HG23 ILE 6 HG23 ILE 6 57.672 11.392 -1.826
50 HD11 ILE 6 HD1 ILE 6 60.548 7.481 -3.159
51 HD12 ILE 6 HD2 ILE 6 60.543 9.050 -2.320
52 HD13 ILE 6 HD3 ILE 6 59.982 8.939 -4.007
53 H LYS 7 HN LYS 7 56.787 11.371 -3.386
54 HA LYS 7 HA LYS 7 55.396 13.113 -4.074
55 HB2 LYS 7 HB2 LYS 7 54.548 11.227 -5.681
56 HB3 LYS 7 HB1 LYS 7 53.188 11.055 -4.545
57 HG2 LYS 7 HG2 LYS 7 52.804 13.569 -4.811
58 HG3 LYS 7 HG1 LYS 7 53.976 13.521 -6.151
59 HD2 LYS 7 HD2 LYS 7 51.388 11.914 -5.966
60 HD3 LYS 7 HD1 LYS 7 51.680 13.315 -7.022
61 HE2 LYS 7 HE2 LYS 7 53.699 11.918 -7.943
62 HE3 LYS 7 HE1 LYS 7 52.873 10.530 -7.191
63 HZ1 LYS 7 HZ1 LYS 7 52.347 11.307 -9.640
64 HZ2 LYS 7 HZ2 LYS 7 51.269 12.346 -8.837
65 HZ3 LYS 7 HZ3 LYS 7 51.143 10.665 -8.633
66 H GLY 8 HN GLY 8 55.745 11.854 -1.704
67 HA2 GLY 8 HA1 GLY 8 55.069 11.409 0.364
68 HA3 GLY 8 HA2 GLY 8 54.613 13.158 0.336
69 H ALA 9 HN ALA 9 53.452 9.912 -0.535
70 HA ALA 9 HA ALA 9 51.429 8.890 -0.137
71 HB1 ALA 9 HB1 ALA 9 49.973 9.643 1.536
72 HB2 ALA 9 HB2 ALA 9 50.296 11.359 1.200
73 HB3 ALA 9 HB3 ALA 9 51.520 10.367 2.025
74 H ILE 10 HN ILE 10 51.541 9.270 -2.508
75 HA ILE 10 HA ILE 10 50.703 10.172 -4.508
76 HB ILE 10 HB ILE 10 48.065 9.781 -4.490
77 HG12 ILE 10 HG12 ILE 10 48.949 8.407 -1.903
78 HG13 ILE 10 HG11 ILE 10 47.958 9.877 -1.964
79 HG21 ILE 10 HG21 ILE 10 49.964 7.472 -3.872
80 HG22 ILE 10 HG22 ILE 10 49.816 8.247 -5.467
81 HG23 ILE 10 HG23 ILE 10 48.431 7.383 -4.767
82 HD11 ILE 10 HD1 ILE 10 46.386 8.432 -3.532
83 HD12 ILE 10 HD2 ILE 10 46.323 8.196 -1.770
84 HD13 ILE 10 HD3 ILE 10 47.230 7.053 -2.785
85 H HIS 11 HN HIS 11 47.661 11.097 -3.111
86 HA HIS 11 HA HIS 11 47.375 13.522 -4.313
87 HB2 HIS 11 HB2 HIS 11 45.911 14.208 -2.451
88 HB3 HIS 11 HB1 HIS 11 45.623 12.529 -2.962
89 HD1 HIS 11 HD1 HIS 11 47.676 14.449 -0.334
90 HD2 HIS 11 HD2 HIS 11 45.882 10.688 -0.898
91 HE1 HIS 11 HE1 HIS 11 47.897 13.162 1.862
92 H GLY 12 HN GLY 12 49.715 12.853 -1.841
93 HA2 GLY 12 HA1 GLY 12 50.053 15.358 -0.622
94 HA3 GLY 12 HA2 GLY 12 51.384 14.253 -1.023
95 H GLY 13 HN GLY 13 50.246 14.553 -3.916
96 HA2 GLY 13 HA1 GLY 13 51.159 17.292 -4.577
97 HA3 GLY 13 HA2 GLY 13 52.139 15.947 -5.201
98 H ARG 14 HN ARG 14 50.281 14.045 -5.873
99 HA ARG 14 HA ARG 14 49.486 14.672 -8.429
100 HB2 ARG 14 HB2 ARG 14 49.305 12.424 -7.324
101 HB3 ARG 14 HB1 ARG 14 47.819 12.981 -6.532
102 HG2 ARG 14 HG2 ARG 14 47.209 11.731 -8.530
103 HG3 ARG 14 HG1 ARG 14 46.823 13.442 -8.792
104 HD2 ARG 14 HD2 ARG 14 48.550 13.729 -10.355
105 HD3 ARG 14 HD1 ARG 14 49.535 12.412 -9.670
106 HE ARG 14 HE ARG 14 47.099 11.332 -10.741
107 HH11 ARG 14 HH11 ARG 14 47.359 12.688 -13.146
108 HH12 ARG 14 HH12 ARG 14 48.649 11.921 -14.009
109 HH21 ARG 14 HH21 ARG 14 49.955 10.361 -11.200
110 HH22 ARG 14 HH22 ARG 14 50.118 10.603 -12.908
111 H PHE 15 HN PHE 15 47.379 15.073 -5.524
112 HA PHE 15 HA PHE 15 45.130 16.111 -6.833
113 HB2 PHE 15 HB2 PHE 15 45.560 15.595 -4.315
114 HB3 PHE 15 HB1 PHE 15 46.114 17.279 -4.208
115 HD1 PHE 15 HD1 PHE 15 43.225 15.059 -4.438
116 HD2 PHE 15 HD2 PHE 15 44.524 19.148 -4.907
117 HE1 PHE 15 HE1 PHE 15 40.860 15.828 -4.300
118 HE2 PHE 15 HE2 PHE 15 42.160 19.916 -4.762
119 HZ PHE 15 HZ PHE 15 40.327 18.256 -4.461
120 H ILE 16 HN ILE 16 47.909 17.993 -5.492
121 HA ILE 16 HA ILE 16 47.039 20.304 -7.230
122 HB ILE 16 HB ILE 16 48.441 21.706 -5.732
123 HG12 ILE 16 HG12 ILE 16 48.704 19.102 -4.150
124 HG13 ILE 16 HG11 ILE 16 50.026 19.982 -4.951
125 HG21 ILE 16 HG21 ILE 16 46.488 20.108 -4.031
126 HG22 ILE 16 HG22 ILE 16 45.925 21.167 -5.347
127 HG23 ILE 16 HG23 ILE 16 46.834 21.851 -3.981
128 HD11 ILE 16 HD1 ILE 16 50.161 20.639 -2.666
129 HD12 ILE 16 HD2 ILE 16 48.397 20.827 -2.529
130 HD13 ILE 16 HD3 ILE 16 49.348 21.998 -3.475
131 H HIS 17 HN HIS 17 48.395 18.210 -8.474
132 HA HIS 17 HA HIS 17 50.920 19.640 -9.219
133 HB2 HIS 17 HB2 HIS 17 51.637 17.816 -7.713
134 HB3 HIS 17 HB1 HIS 17 50.735 16.641 -8.701
135 HD1 HIS 17 HD1 HIS 17 53.349 19.399 -9.357
136 HD2 HIS 17 HD2 HIS 17 52.393 15.484 -10.567
137 HE1 HIS 17 HE1 HIS 17 55.136 18.660 -11.027
138 H GLY 18 HN GLY 18 48.282 17.388 -9.865
139 HA2 GLY 18 HA1 GLY 18 48.780 16.604 -12.499
140 HA3 GLY 18 HA2 GLY 18 47.170 17.035 -11.877
141 H MET 19 HN MET 19 48.054 19.699 -11.191
142 HA MET 19 HA MET 19 48.984 21.499 -12.771
143 HB2 MET 19 HB2 MET 19 46.797 20.320 -14.401
144 HB3 MET 19 HB1 MET 19 47.115 22.048 -14.538
145 HG2 MET 19 HG2 MET 19 49.093 21.751 -15.684
146 HG3 MET 19 HG1 MET 19 49.561 20.318 -14.744
147 HE1 MET 19 HE1 MET 19 49.556 19.363 -18.557
148 HE2 MET 19 HE2 MET 19 50.421 18.987 -17.048
149 HE3 MET 19 HE3 MET 19 50.189 20.681 -17.542
150 H ILE 20 HN ILE 20 47.257 20.587 -10.461
151 HA ILE 20 HA ILE 20 45.783 21.620 -9.012
152 HB ILE 20 HB ILE 20 46.736 24.138 -10.483
153 HG12 ILE 20 HG12 ILE 20 47.788 24.599 -8.269
154 HG13 ILE 20 HG11 ILE 20 47.154 23.052 -7.661
155 HG21 ILE 20 HG21 ILE 20 44.529 24.734 -9.826
156 HG22 ILE 20 HG22 ILE 20 45.553 25.320 -8.498
157 HG23 ILE 20 HG23 ILE 20 44.636 23.805 -8.312
158 HD11 ILE 20 HD1 ILE 20 49.613 23.120 -8.547
159 HD12 ILE 20 HD2 ILE 20 48.874 23.147 -10.166
160 HD13 ILE 20 HD3 ILE 20 48.571 21.778 -9.068
161 H GLN 21 HN GLN 21 45.699 21.336 -12.313
162 HA GLN 21 HA GLN 21 42.703 21.935 -12.410
163 HB2 GLN 21 HB2 GLN 21 44.083 23.520 -13.761
164 HB3 GLN 21 HB1 GLN 21 44.717 22.135 -14.682
165 HG2 GLN 21 HG2 GLN 21 42.490 21.560 -15.471
166 HG3 GLN 21 HG1 GLN 21 41.752 22.785 -14.413
167 HE21 GLN 21 HE21 GLN 21 42.620 25.137 -14.812
168 HE22 GLN 21 HE22 GLN 21 42.894 25.572 -16.503
169 H ASN 22 HN ASN 22 45.341 19.635 -13.040
170 HA ASN 22 HA ASN 22 43.391 17.841 -14.465
171 HB2 ASN 22 HB2 ASN 22 45.916 18.384 -15.200
172 HB3 ASN 22 HB1 ASN 22 46.298 17.119 -14.021
173 HD21 ASN 22 HD21 ASN 22 46.808 15.349 -15.364
174 HD22 ASN 22 HD22 ASN 22 45.693 14.700 -16.571
175 H HIS 23 HN HIS 23 45.394 18.227 -11.579
176 HA HIS 23 HA HIS 23 45.557 16.920 -9.659
177 HB2 HIS 23 HB2 HIS 23 42.595 16.650 -10.293
178 HB3 HIS 23 HB1 HIS 23 43.336 16.204 -8.737
179 HD1 HIS 23 HD1 HIS 23 42.978 18.016 -7.065
180 HD2 HIS 23 HD2 HIS 23 43.827 19.546 -10.884
181 HE1 HIS 23 HE1 HIS 23 42.983 20.565 -6.884
182 H HIS 24 HN HIS 24 42.886 14.885 -10.630
183 HA HIS 24 HA HIS 24 42.800 12.586 -10.919
184 HB2 HIS 24 HB2 HIS 24 43.772 13.388 -13.126
185 HB3 HIS 24 HB1 HIS 24 45.378 12.962 -12.489
186 HD1 HIS 24 HD1 HIS 24 42.217 10.950 -11.808
187 HD2 HIS 24 HD2 HIS 24 45.697 10.688 -14.152
188 HE1 HIS 24 HE1 HIS 24 42.328 8.575 -12.744
Start of MODEL 30
1 H1 PHE 1 HT1 PHE 1 49.431 3.424 -9.298
2 H2 PHE 1 HT2 PHE 1 48.660 2.892 -7.880
3 H3 PHE 1 HT3 PHE 1 47.936 2.631 -9.395
4 HA PHE 1 HA PHE 1 49.119 0.712 -8.243
5 HB2 PHE 1 HB2 PHE 1 49.936 -0.085 -10.501
6 HB3 PHE 1 HB1 PHE 1 48.257 0.508 -10.485
7 HD1 PHE 1 HD1 PHE 1 47.770 2.878 -11.254
8 HD2 PHE 1 HD2 PHE 1 51.609 0.996 -11.840
9 HE1 PHE 1 HE1 PHE 1 48.337 4.576 -12.987
10 HE2 PHE 1 HE2 PHE 1 52.176 2.694 -13.574
11 HZ PHE 1 HZ PHE 1 50.518 4.450 -14.186
12 H LEU 2 HN LEU 2 50.647 3.170 -7.545
13 HA LEU 2 HA LEU 2 53.345 2.827 -8.552
14 HB2 LEU 2 HB2 LEU 2 52.351 4.950 -7.555
15 HB3 LEU 2 HB1 LEU 2 52.470 4.165 -5.966
16 HG LEU 2 HG LEU 2 55.003 3.766 -6.624
17 HD11 LEU 2 HD11 LEU 2 54.190 6.026 -8.512
18 HD12 LEU 2 HD12 LEU 2 54.936 4.472 -8.952
19 HD13 LEU 2 HD13 LEU 2 55.868 5.679 -8.043
20 HD21 LEU 2 HD21 LEU 2 53.923 6.545 -5.972
21 HD22 LEU 2 HD22 LEU 2 55.595 5.999 -5.701
22 HD23 LEU 2 HD23 LEU 2 54.256 5.249 -4.799
23 H GLY 3 HN GLY 3 54.999 1.612 -7.826
24 HA2 GLY 3 HA1 GLY 3 54.391 -0.519 -5.932
25 HA3 GLY 3 HA2 GLY 3 55.938 -0.229 -6.753
26 H ALA 4 HN ALA 4 54.290 2.268 -4.903
27 HA ALA 4 HA ALA 4 55.735 1.758 -2.432
28 HB1 ALA 4 HB1 ALA 4 56.673 4.119 -4.094
29 HB2 ALA 4 HB2 ALA 4 57.564 2.587 -3.946
30 HB3 ALA 4 HB3 ALA 4 57.290 3.599 -2.508
31 H LEU 5 HN LEU 5 55.946 4.859 -2.216
32 HA LEU 5 HA LEU 5 53.155 5.724 -2.330
33 HB2 LEU 5 HB2 LEU 5 52.712 5.910 0.015
34 HB3 LEU 5 HB1 LEU 5 53.231 4.237 -0.278
35 HG LEU 5 HG LEU 5 54.908 6.504 0.894
36 HD11 LEU 5 HD11 LEU 5 54.048 3.809 2.025
37 HD12 LEU 5 HD12 LEU 5 53.258 5.361 2.392
38 HD13 LEU 5 HD13 LEU 5 54.947 5.083 2.880
39 HD21 LEU 5 HD21 LEU 5 56.459 5.273 -0.440
40 HD22 LEU 5 HD22 LEU 5 55.663 3.719 -0.084
41 HD23 LEU 5 HD23 LEU 5 56.605 4.548 1.177
42 H ILE 6 HN ILE 6 55.992 6.457 -3.101
43 HA ILE 6 HA ILE 6 56.577 8.883 -1.526
44 HB ILE 6 HB ILE 6 58.164 7.318 -3.044
45 HG12 ILE 6 HG12 ILE 6 58.467 10.357 -2.916
46 HG13 ILE 6 HG11 ILE 6 58.939 9.196 -1.659
47 HG21 ILE 6 HG21 ILE 6 57.846 9.478 -5.131
48 HG22 ILE 6 HG22 ILE 6 56.683 8.133 -5.138
49 HG23 ILE 6 HG23 ILE 6 58.422 7.807 -5.295
50 HD11 ILE 6 HD1 ILE 6 60.939 9.699 -2.887
51 HD12 ILE 6 HD2 ILE 6 60.113 9.496 -4.450
52 HD13 ILE 6 HD3 ILE 6 60.425 8.081 -3.417
53 H LYS 7 HN LYS 7 57.143 10.610 -3.923
54 HA LYS 7 HA LYS 7 55.963 12.461 -4.698
55 HB2 LYS 7 HB2 LYS 7 54.813 10.621 -6.171
56 HB3 LYS 7 HB1 LYS 7 53.515 10.647 -4.958
57 HG2 LYS 7 HG2 LYS 7 52.692 12.213 -6.495
58 HG3 LYS 7 HG1 LYS 7 53.571 13.283 -5.381
59 HD2 LYS 7 HD2 LYS 7 55.607 12.947 -6.966
60 HD3 LYS 7 HD1 LYS 7 54.434 12.276 -8.121
61 HE2 LYS 7 HE2 LYS 7 54.370 15.060 -6.877
62 HE3 LYS 7 HE1 LYS 7 54.729 14.663 -8.573
63 HZ1 LYS 7 HZ1 LYS 7 52.560 14.157 -9.008
64 HZ2 LYS 7 HZ2 LYS 7 52.332 15.356 -7.827
65 HZ3 LYS 7 HZ3 LYS 7 52.202 13.715 -7.410
66 H GLY 8 HN GLY 8 56.256 11.301 -2.271
67 HA2 GLY 8 HA1 GLY 8 55.610 11.057 -0.158
68 HA3 GLY 8 HA2 GLY 8 55.362 12.843 -0.272
69 H ALA 9 HN ALA 9 53.812 9.714 -0.910
70 HA ALA 9 HA ALA 9 51.695 8.946 -0.443
71 HB1 ALA 9 HB1 ALA 9 51.986 10.496 1.647
72 HB2 ALA 9 HB2 ALA 9 50.350 9.960 1.194
73 HB3 ALA 9 HB3 ALA 9 50.894 11.601 0.781
74 H ILE 10 HN ILE 10 51.806 9.179 -2.835
75 HA ILE 10 HA ILE 10 51.056 10.051 -4.865
76 HB ILE 10 HB ILE 10 48.460 10.208 -4.918
77 HG12 ILE 10 HG12 ILE 10 48.830 9.159 -2.070
78 HG13 ILE 10 HG11 ILE 10 48.185 10.764 -2.493
79 HG21 ILE 10 HG21 ILE 10 49.836 8.164 -5.472
80 HG22 ILE 10 HG22 ILE 10 48.234 7.788 -4.806
81 HG23 ILE 10 HG23 ILE 10 49.678 7.657 -3.775
82 HD11 ILE 10 HD1 ILE 10 46.479 9.347 -3.969
83 HD12 ILE 10 HD2 ILE 10 46.209 9.526 -2.221
84 HD13 ILE 10 HD3 ILE 10 46.932 8.033 -2.859
85 H HIS 11 HN HIS 11 48.277 11.777 -4.121
86 HA HIS 11 HA HIS 11 49.668 14.306 -4.771
87 HB2 HIS 11 HB2 HIS 11 47.447 13.633 -5.772
88 HB3 HIS 11 HB1 HIS 11 46.727 13.831 -4.159
89 HD1 HIS 11 HD1 HIS 11 45.400 15.722 -5.830
90 HD2 HIS 11 HD2 HIS 11 49.232 16.595 -4.342
91 HE1 HIS 11 HE1 HIS 11 45.737 18.246 -6.028
92 H GLY 12 HN GLY 12 50.399 13.107 -2.274
93 HA2 GLY 12 HA1 GLY 12 50.769 13.810 -0.098
94 HA3 GLY 12 HA2 GLY 12 50.084 15.387 -0.550
95 H GLY 13 HN GLY 13 48.567 12.163 -0.683
96 HA2 GLY 13 HA1 GLY 13 46.623 11.387 0.308
97 HA3 GLY 13 HA2 GLY 13 47.093 12.335 1.736
98 H ARG 14 HN ARG 14 46.077 13.116 -1.620
99 HA ARG 14 HA ARG 14 43.681 14.510 -0.527
100 HB2 ARG 14 HB2 ARG 14 45.380 16.270 -0.482
101 HB3 ARG 14 HB1 ARG 14 45.854 15.899 -2.153
102 HG2 ARG 14 HG2 ARG 14 44.366 17.905 -1.988
103 HG3 ARG 14 HG1 ARG 14 43.657 16.619 -2.983
104 HD2 ARG 14 HD2 ARG 14 42.147 17.799 -1.194
105 HD3 ARG 14 HD1 ARG 14 42.082 16.026 -1.309
106 HE ARG 14 HE ARG 14 43.007 15.941 0.859
107 HH11 ARG 14 HH11 ARG 14 42.512 19.148 0.103
108 HH12 ARG 14 HH12 ARG 14 43.721 19.782 1.169
109 HH21 ARG 14 HH21 ARG 14 45.063 16.676 1.926
110 HH22 ARG 14 HH22 ARG 14 45.165 18.383 2.202
111 H PHE 15 HN PHE 15 45.455 12.865 -2.992
112 HA PHE 15 HA PHE 15 44.141 13.428 -5.368
113 HB2 PHE 15 HB2 PHE 15 45.901 11.613 -4.865
114 HB3 PHE 15 HB1 PHE 15 44.533 10.567 -4.419
115 HD1 PHE 15 HD1 PHE 15 45.633 12.888 -7.184
116 HD2 PHE 15 HD2 PHE 15 43.511 9.279 -6.125
117 HE1 PHE 15 HE1 PHE 15 45.248 12.404 -9.598
118 HE2 PHE 15 HE2 PHE 15 43.128 8.798 -8.538
119 HZ PHE 15 HZ PHE 15 44.050 10.327 -10.276
120 H ILE 16 HN ILE 16 42.787 12.134 -2.464
121 HA ILE 16 HA ILE 16 40.091 12.097 -3.735
122 HB ILE 16 HB ILE 16 40.973 9.805 -1.923
123 HG12 ILE 16 HG12 ILE 16 40.910 9.942 -4.975
124 HG13 ILE 16 HG11 ILE 16 42.349 9.704 -3.956
125 HG21 ILE 16 HG21 ILE 16 38.683 10.020 -3.925
126 HG22 ILE 16 HG22 ILE 16 38.518 10.457 -2.207
127 HG23 ILE 16 HG23 ILE 16 38.914 8.784 -2.666
128 HD11 ILE 16 HD1 ILE 16 40.051 7.790 -4.471
129 HD12 ILE 16 HD2 ILE 16 41.069 7.618 -3.019
130 HD13 ILE 16 HD3 ILE 16 41.798 7.506 -4.639
131 H HIS 17 HN HIS 17 41.451 10.982 -0.579
132 HA HIS 17 HA HIS 17 40.658 13.394 0.821
133 HB2 HIS 17 HB2 HIS 17 38.811 10.977 0.882
134 HB3 HIS 17 HB1 HIS 17 38.932 12.063 2.286
135 HD1 HIS 17 HD1 HIS 17 38.977 14.817 1.180
136 HD2 HIS 17 HD2 HIS 17 36.561 11.802 -0.480
137 HE1 HIS 17 HE1 HIS 17 37.118 15.971 -0.140
138 H GLY 18 HN GLY 18 43.050 12.564 0.904
139 HA2 GLY 18 HA1 GLY 18 44.729 11.724 2.275
140 HA3 GLY 18 HA2 GLY 18 43.526 11.634 3.563
141 H MET 19 HN MET 19 43.963 10.069 0.424
142 HA MET 19 HA MET 19 43.638 7.854 -0.014
143 HB2 MET 19 HB2 MET 19 45.480 7.635 2.296
144 HB3 MET 19 HB1 MET 19 45.163 6.305 1.156
145 HG2 MET 19 HG2 MET 19 46.057 7.599 -0.698
146 HG3 MET 19 HG1 MET 19 46.208 9.045 0.327
147 HE1 MET 19 HE1 MET 19 47.242 5.214 1.522
148 HE2 MET 19 HE2 MET 19 48.614 5.163 0.390
149 HE3 MET 19 HE3 MET 19 46.970 5.466 -0.218
150 H ILE 20 HN ILE 20 41.805 9.029 2.063
151 HA ILE 20 HA ILE 20 40.121 8.175 3.423
152 HB ILE 20 HB ILE 20 40.581 5.744 1.620
153 HG12 ILE 20 HG12 ILE 20 38.314 6.321 0.835
154 HG13 ILE 20 HG11 ILE 20 38.221 7.632 2.034
155 HG21 ILE 20 HG21 ILE 20 38.432 4.848 2.718
156 HG22 ILE 20 HG22 ILE 20 38.747 6.006 4.034
157 HG23 ILE 20 HG23 ILE 20 39.920 4.714 3.683
158 HD11 ILE 20 HD1 ILE 20 38.882 8.301 -0.362
159 HD12 ILE 20 HD2 ILE 20 40.439 7.502 -0.043
160 HD13 ILE 20 HD3 ILE 20 39.929 8.892 0.945
161 H GLN 21 HN GLN 21 43.306 7.173 3.219
162 HA GLN 21 HA GLN 21 43.176 5.579 5.808
163 HB2 GLN 21 HB2 GLN 21 44.325 4.612 3.734
164 HB3 GLN 21 HB1 GLN 21 45.537 5.901 3.913
165 HG2 GLN 21 HG2 GLN 21 46.424 3.993 5.072
166 HG3 GLN 21 HG1 GLN 21 45.841 5.107 6.332
167 HE21 GLN 21 HE21 GLN 21 44.460 4.215 7.871
168 HE22 GLN 21 HE22 GLN 21 43.550 2.718 7.638
169 H ASN 22 HN ASN 22 44.790 8.317 4.114
170 HA ASN 22 HA ASN 22 46.130 9.150 6.608
171 HB2 ASN 22 HB2 ASN 22 45.937 10.203 3.755
172 HB3 ASN 22 HB1 ASN 22 46.641 11.194 5.060
173 HD21 ASN 22 HD21 ASN 22 48.731 11.004 3.802
174 HD22 ASN 22 HD22 ASN 22 49.689 9.532 3.995
175 H HIS 23 HN HIS 23 43.272 9.739 4.619
176 HA HIS 23 HA HIS 23 41.428 11.121 5.008
177 HB2 HIS 23 HB2 HIS 23 41.341 9.637 7.036
178 HB3 HIS 23 HB1 HIS 23 42.226 10.893 7.934
179 HD1 HIS 23 HD1 HIS 23 40.874 12.760 8.933
180 HD2 HIS 23 HD2 HIS 23 38.771 10.699 5.928
181 HE1 HIS 23 HE1 HIS 23 38.482 13.661 8.920
182 H HIS 24 HN HIS 24 44.433 12.223 5.210
183 HA HIS 24 HA HIS 24 43.651 14.992 5.163
184 HB2 HIS 24 HB2 HIS 24 44.931 15.700 7.222
185 HB3 HIS 24 HB1 HIS 24 43.418 14.825 7.561
186 HD1 HIS 24 HD1 HIS 24 46.802 13.341 6.536
187 HD2 HIS 24 HD2 HIS 24 44.197 13.406 9.837
188 HE1 HIS 24 HE1 HIS 24 47.690 11.658 8.240
Start of MODEL 31
1 H1 PHE 1 HT1 PHE 1 54.480 6.314 -11.872
2 H2 PHE 1 HT2 PHE 1 54.259 5.439 -13.312
3 H3 PHE 1 HT3 PHE 1 55.762 6.151 -12.968
4 HA PHE 1 HA PHE 1 54.585 3.697 -12.007
5 HB2 PHE 1 HB2 PHE 1 57.469 4.634 -12.261
6 HB3 PHE 1 HB1 PHE 1 56.892 2.959 -12.082
7 HD1 PHE 1 HD1 PHE 1 57.007 5.909 -14.357
8 HD2 PHE 1 HD2 PHE 1 55.975 1.736 -13.964
9 HE1 PHE 1 HE1 PHE 1 56.760 5.738 -16.830
10 HE2 PHE 1 HE2 PHE 1 55.728 1.566 -16.438
11 HZ PHE 1 HZ PHE 1 56.087 3.575 -17.867
12 H LEU 2 HN LEU 2 55.855 2.721 -10.084
13 HA LEU 2 HA LEU 2 56.815 4.499 -8.037
14 HB2 LEU 2 HB2 LEU 2 54.817 4.008 -6.434
15 HB3 LEU 2 HB1 LEU 2 54.635 5.302 -7.638
16 HG LEU 2 HG LEU 2 53.457 3.700 -9.155
17 HD11 LEU 2 HD11 LEU 2 54.230 1.537 -8.581
18 HD12 LEU 2 HD12 LEU 2 52.594 1.560 -7.891
19 HD13 LEU 2 HD13 LEU 2 54.007 1.811 -6.837
20 HD21 LEU 2 HD21 LEU 2 52.198 5.158 -7.601
21 HD22 LEU 2 HD22 LEU 2 52.307 3.911 -6.337
22 HD23 LEU 2 HD23 LEU 2 51.373 3.597 -7.818
23 H GLY 3 HN GLY 3 56.714 3.265 -5.793
24 HA2 GLY 3 HA1 GLY 3 56.430 0.498 -5.609
25 HA3 GLY 3 HA2 GLY 3 58.046 0.739 -6.300
26 H ALA 4 HN ALA 4 56.642 3.112 -4.141
27 HA ALA 4 HA ALA 4 57.761 2.002 -1.707
28 HB1 ALA 4 HB1 ALA 4 59.619 3.514 -1.391
29 HB2 ALA 4 HB2 ALA 4 59.268 4.338 -2.929
30 HB3 ALA 4 HB3 ALA 4 59.850 2.655 -2.932
31 H LEU 5 HN LEU 5 55.580 3.735 -3.267
32 HA LEU 5 HA LEU 5 54.066 5.388 -2.665
33 HB2 LEU 5 HB2 LEU 5 54.930 4.911 0.208
34 HB3 LEU 5 HB1 LEU 5 53.331 5.398 -0.401
35 HG LEU 5 HG LEU 5 54.683 2.704 -0.891
36 HD11 LEU 5 HD11 LEU 5 53.888 3.010 1.431
37 HD12 LEU 5 HD12 LEU 5 52.867 1.839 0.561
38 HD13 LEU 5 HD13 LEU 5 52.289 3.503 0.825
39 HD21 LEU 5 HD21 LEU 5 52.296 2.158 -1.737
40 HD22 LEU 5 HD22 LEU 5 53.308 3.166 -2.798
41 HD23 LEU 5 HD23 LEU 5 52.039 3.919 -1.800
42 H ILE 6 HN ILE 6 54.849 7.264 -3.491
43 HA ILE 6 HA ILE 6 56.115 9.126 -1.518
44 HB ILE 6 HB ILE 6 57.920 9.780 -3.108
45 HG12 ILE 6 HG12 ILE 6 56.927 7.399 -4.749
46 HG13 ILE 6 HG11 ILE 6 56.805 9.109 -5.221
47 HG21 ILE 6 HG21 ILE 6 58.214 7.939 -1.353
48 HG22 ILE 6 HG22 ILE 6 59.391 7.936 -2.686
49 HG23 ILE 6 HG23 ILE 6 58.045 6.770 -2.684
50 HD11 ILE 6 HD1 ILE 6 59.291 7.384 -4.975
51 HD12 ILE 6 HD2 ILE 6 59.400 9.162 -4.924
52 HD13 ILE 6 HD3 ILE 6 58.738 8.349 -6.362
53 H LYS 7 HN LYS 7 56.858 10.923 -3.860
54 HA LYS 7 HA LYS 7 55.741 12.820 -4.619
55 HB2 LYS 7 HB2 LYS 7 53.582 10.738 -5.233
56 HB3 LYS 7 HB1 LYS 7 53.393 12.462 -5.626
57 HG2 LYS 7 HG2 LYS 7 55.500 12.347 -6.977
58 HG3 LYS 7 HG1 LYS 7 55.577 10.598 -6.652
59 HD2 LYS 7 HD2 LYS 7 53.232 10.422 -7.642
60 HD3 LYS 7 HD1 LYS 7 53.416 12.111 -8.173
61 HE2 LYS 7 HE2 LYS 7 54.052 10.554 -9.985
62 HE3 LYS 7 HE1 LYS 7 55.464 11.486 -9.433
63 HZ1 LYS 7 HZ1 LYS 7 54.891 8.912 -8.139
64 HZ2 LYS 7 HZ2 LYS 7 56.382 9.675 -8.429
65 HZ3 LYS 7 HZ3 LYS 7 55.564 8.891 -9.696
66 H GLY 8 HN GLY 8 55.887 11.587 -2.215
67 HA2 GLY 8 HA1 GLY 8 55.108 11.281 -0.151
68 HA3 GLY 8 HA2 GLY 8 54.895 13.074 -0.221
69 H ALA 9 HN ALA 9 53.357 9.958 -0.872
70 HA ALA 9 HA ALA 9 51.186 9.238 -0.683
71 HB1 ALA 9 HB1 ALA 9 51.395 10.520 1.547
72 HB2 ALA 9 HB2 ALA 9 49.752 10.223 0.926
73 HB3 ALA 9 HB3 ALA 9 50.499 11.827 0.741
74 H ILE 10 HN ILE 10 51.379 9.654 -3.037
75 HA ILE 10 HA ILE 10 50.730 10.699 -5.012
76 HB ILE 10 HB ILE 10 48.042 11.234 -4.848
77 HG12 ILE 10 HG12 ILE 10 48.639 9.352 -2.507
78 HG13 ILE 10 HG11 ILE 10 47.946 10.986 -2.391
79 HG21 ILE 10 HG21 ILE 10 49.235 9.404 -6.171
80 HG22 ILE 10 HG22 ILE 10 47.633 8.961 -5.554
81 HG23 ILE 10 HG23 ILE 10 49.095 8.374 -4.728
82 HD11 ILE 10 HD1 ILE 10 46.107 10.039 -4.027
83 HD12 ILE 10 HD2 ILE 10 46.030 9.628 -2.298
84 HD13 ILE 10 HD3 ILE 10 46.682 8.452 -3.461
85 H HIS 11 HN HIS 11 48.302 12.537 -3.204
86 HA HIS 11 HA HIS 11 49.903 15.045 -3.706
87 HB2 HIS 11 HB2 HIS 11 48.042 14.721 -5.391
88 HB3 HIS 11 HB1 HIS 11 46.890 14.767 -4.034
89 HD1 HIS 11 HD1 HIS 11 46.425 16.985 -5.925
90 HD2 HIS 11 HD2 HIS 11 49.429 17.267 -2.996
91 HE1 HIS 11 HE1 HIS 11 46.885 19.469 -5.541
92 H GLY 12 HN GLY 12 49.924 13.569 -1.318
93 HA2 GLY 12 HA1 GLY 12 49.749 14.061 0.948
94 HA3 GLY 12 HA2 GLY 12 49.030 15.626 0.518
95 H GLY 13 HN GLY 13 47.725 12.597 -0.672
96 HA2 GLY 13 HA1 GLY 13 45.774 11.460 -0.135
97 HA3 GLY 13 HA2 GLY 13 45.778 12.263 1.449
98 H ARG 14 HN ARG 14 45.998 14.228 -1.403
99 HA ARG 14 HA ARG 14 43.197 15.199 -0.895
100 HB2 ARG 14 HB2 ARG 14 45.484 16.513 -2.418
101 HB3 ARG 14 HB1 ARG 14 43.906 17.242 -2.036
102 HG2 ARG 14 HG2 ARG 14 45.980 16.305 0.000
103 HG3 ARG 14 HG1 ARG 14 45.639 17.995 -0.436
104 HD2 ARG 14 HD2 ARG 14 43.137 17.338 0.229
105 HD3 ARG 14 HD1 ARG 14 43.951 16.057 1.160
106 HE ARG 14 HE ARG 14 45.224 18.587 1.674
107 HH11 ARG 14 HH11 ARG 14 41.950 17.998 1.781
108 HH12 ARG 14 HH12 ARG 14 41.771 18.229 3.489
109 HH21 ARG 14 HH21 ARG 14 45.183 18.363 4.094
110 HH22 ARG 14 HH22 ARG 14 43.603 18.434 4.798
111 H PHE 15 HN PHE 15 45.390 13.934 -3.398
112 HA PHE 15 HA PHE 15 43.690 14.436 -5.635
113 HB2 PHE 15 HB2 PHE 15 45.993 13.591 -5.882
114 HB3 PHE 15 HB1 PHE 15 45.521 12.052 -5.122
115 HD1 PHE 15 HD1 PHE 15 44.589 10.302 -6.444
116 HD2 PHE 15 HD2 PHE 15 44.719 14.323 -8.009
117 HE1 PHE 15 HE1 PHE 15 43.813 9.465 -8.658
118 HE2 PHE 15 HE2 PHE 15 43.943 13.486 -10.223
119 HZ PHE 15 HZ PHE 15 43.391 11.073 -10.515
120 H ILE 16 HN ILE 16 41.546 14.186 -4.970
121 HA ILE 16 HA ILE 16 39.644 13.045 -4.258
122 HB ILE 16 HB ILE 16 39.097 11.045 -5.730
123 HG12 ILE 16 HG12 ILE 16 41.758 11.766 -7.055
124 HG13 ILE 16 HG11 ILE 16 41.503 10.320 -6.055
125 HG21 ILE 16 HG21 ILE 16 38.621 13.479 -6.300
126 HG22 ILE 16 HG22 ILE 16 38.777 12.405 -7.704
127 HG23 ILE 16 HG23 ILE 16 40.124 13.478 -7.253
128 HD11 ILE 16 HD1 ILE 16 39.514 9.820 -7.692
129 HD12 ILE 16 HD2 ILE 16 41.175 9.519 -8.252
130 HD13 ILE 16 HD3 ILE 16 40.320 10.990 -8.766
131 H HIS 17 HN HIS 17 41.001 12.702 -2.189
132 HA HIS 17 HA HIS 17 40.592 9.856 -1.445
133 HB2 HIS 17 HB2 HIS 17 43.294 11.245 -1.457
134 HB3 HIS 17 HB1 HIS 17 42.937 9.975 -0.262
135 HD1 HIS 17 HD1 HIS 17 44.339 10.389 -3.548
136 HD2 HIS 17 HD2 HIS 17 41.885 7.503 -1.724
137 HE1 HIS 17 HE1 HIS 17 44.457 8.276 -4.979
138 H GLY 18 HN GLY 18 41.224 13.244 -0.718
139 HA2 GLY 18 HA1 GLY 18 41.232 13.301 2.067
140 HA3 GLY 18 HA2 GLY 18 40.386 14.502 1.058
141 H MET 19 HN MET 19 38.650 12.652 -0.158
142 HA MET 19 HA MET 19 37.001 11.029 1.080
143 HB2 MET 19 HB2 MET 19 36.733 13.626 2.519
144 HB3 MET 19 HB1 MET 19 35.242 12.733 2.190
145 HG2 MET 19 HG2 MET 19 35.734 11.048 3.697
146 HG3 MET 19 HG1 MET 19 37.479 11.099 3.378
147 HE1 MET 19 HE1 MET 19 35.994 10.963 6.464
148 HE2 MET 19 HE2 MET 19 37.483 11.688 7.115
149 HE3 MET 19 HE3 MET 19 37.572 10.540 5.758
150 H ILE 20 HN ILE 20 37.844 12.823 -1.226
151 HA ILE 20 HA ILE 20 36.813 13.504 -3.188
152 HB ILE 20 HB ILE 20 34.221 12.151 -2.286
153 HG12 ILE 20 HG12 ILE 20 35.899 10.446 -1.967
154 HG13 ILE 20 HG11 ILE 20 35.084 10.091 -3.501
155 HG21 ILE 20 HG21 ILE 20 33.828 13.375 -4.256
156 HG22 ILE 20 HG22 ILE 20 34.158 11.739 -4.865
157 HG23 ILE 20 HG23 ILE 20 35.416 12.989 -4.950
158 HD11 ILE 20 HD1 ILE 20 37.450 9.814 -3.873
159 HD12 ILE 20 HD2 ILE 20 37.823 11.371 -3.102
160 HD13 ILE 20 HD3 ILE 20 36.990 11.330 -4.673
161 H GLN 21 HN GLN 21 35.932 13.979 -0.001
162 HA GLN 21 HA GLN 21 34.159 16.371 -0.678
163 HB2 GLN 21 HB2 GLN 21 33.240 14.552 0.841
164 HB3 GLN 21 HB1 GLN 21 34.511 14.986 2.009
165 HG2 GLN 21 HG2 GLN 21 33.677 17.303 2.094
166 HG3 GLN 21 HG1 GLN 21 32.435 16.915 0.878
167 HE21 GLN 21 HE21 GLN 21 30.492 16.993 2.056
168 HE22 GLN 21 HE22 GLN 21 30.212 16.061 3.530
169 H ASN 22 HN ASN 22 37.086 15.216 1.016
170 HA ASN 22 HA ASN 22 37.706 18.055 1.799
171 HB2 ASN 22 HB2 ASN 22 37.843 16.447 3.631
172 HB3 ASN 22 HB1 ASN 22 38.885 15.380 2.665
173 HD21 ASN 22 HD21 ASN 22 40.685 15.567 4.189
174 HD22 ASN 22 HD22 ASN 22 41.602 17.071 4.314
175 H HIS 23 HN HIS 23 38.257 15.607 -0.488
176 HA HIS 23 HA HIS 23 40.906 15.722 -1.256
177 HB2 HIS 23 HB2 HIS 23 40.114 15.398 -3.573
178 HB3 HIS 23 HB1 HIS 23 39.149 14.439 -2.425
179 HD1 HIS 23 HD1 HIS 23 37.641 17.236 -1.445
180 HD2 HIS 23 HD2 HIS 23 37.776 15.528 -5.288
181 HE1 HIS 23 HE1 HIS 23 35.630 18.127 -2.746
182 H HIS 24 HN HIS 24 38.596 18.334 -1.303
183 HA HIS 24 HA HIS 24 40.697 20.258 -1.910
184 HB2 HIS 24 HB2 HIS 24 40.128 19.369 -4.201
185 HB3 HIS 24 HB1 HIS 24 38.469 19.968 -3.963
186 HD1 HIS 24 HD1 HIS 24 39.701 22.552 -2.265
187 HD2 HIS 24 HD2 HIS 24 40.418 21.421 -6.252
188 HE1 HIS 24 HE1 HIS 24 40.513 24.628 -3.510
Start of MODEL 32
1 H1 PHE 1 HT1 PHE 1 57.435 2.049 -12.432
2 H2 PHE 1 HT2 PHE 1 56.985 2.424 -14.028
3 H3 PHE 1 HT3 PHE 1 56.174 1.196 -13.178
4 HA PHE 1 HA PHE 1 56.192 4.050 -12.433
5 HB2 PHE 1 HB2 PHE 1 55.006 3.538 -14.595
6 HB3 PHE 1 HB1 PHE 1 53.959 2.413 -13.695
7 HD1 PHE 1 HD1 PHE 1 54.901 5.970 -14.182
8 HD2 PHE 1 HD2 PHE 1 52.294 3.229 -12.104
9 HE1 PHE 1 HE1 PHE 1 53.466 7.877 -13.469
10 HE2 PHE 1 HE2 PHE 1 50.857 5.136 -11.391
11 HZ PHE 1 HZ PHE 1 51.490 7.467 -12.005
12 H LEU 2 HN LEU 2 56.216 3.976 -10.259
13 HA LEU 2 HA LEU 2 55.048 1.797 -8.749
14 HB2 LEU 2 HB2 LEU 2 55.624 4.587 -7.695
15 HB3 LEU 2 HB1 LEU 2 55.659 3.042 -6.814
16 HG LEU 2 HG LEU 2 57.573 3.918 -9.022
17 HD11 LEU 2 HD11 LEU 2 57.856 4.936 -6.723
18 HD12 LEU 2 HD12 LEU 2 59.240 3.951 -7.256
19 HD13 LEU 2 HD13 LEU 2 58.078 3.291 -6.081
20 HD21 LEU 2 HD21 LEU 2 58.765 1.735 -8.266
21 HD22 LEU 2 HD22 LEU 2 57.324 1.557 -9.292
22 HD23 LEU 2 HD23 LEU 2 57.206 1.283 -7.537
23 H GLY 3 HN GLY 3 53.824 3.527 -6.700
24 HA2 GLY 3 HA1 GLY 3 51.546 4.863 -7.873
25 HA3 GLY 3 HA2 GLY 3 51.122 3.219 -7.353
26 H ALA 4 HN ALA 4 53.609 4.102 -5.409
27 HA ALA 4 HA ALA 4 52.215 5.866 -3.552
28 HB1 ALA 4 HB1 ALA 4 52.598 2.980 -2.694
29 HB2 ALA 4 HB2 ALA 4 51.037 3.666 -3.208
30 HB3 ALA 4 HB3 ALA 4 51.855 4.300 -1.759
31 H LEU 5 HN LEU 5 53.498 4.997 -1.191
32 HA LEU 5 HA LEU 5 55.552 4.973 -0.125
33 HB2 LEU 5 HB2 LEU 5 56.170 3.480 -2.260
34 HB3 LEU 5 HB1 LEU 5 57.114 4.907 -2.715
35 HG LEU 5 HG LEU 5 58.603 3.474 -1.521
36 HD11 LEU 5 HD11 LEU 5 59.353 4.869 0.258
37 HD12 LEU 5 HD12 LEU 5 57.719 5.481 0.588
38 HD13 LEU 5 HD13 LEU 5 58.561 5.950 -0.907
39 HD21 LEU 5 HD21 LEU 5 56.812 3.375 0.939
40 HD22 LEU 5 HD22 LEU 5 58.159 2.314 0.485
41 HD23 LEU 5 HD23 LEU 5 56.612 2.196 -0.376
42 H ILE 6 HN ILE 6 55.653 6.800 -3.215
43 HA ILE 6 HA ILE 6 56.386 9.260 -1.611
44 HB ILE 6 HB ILE 6 58.403 8.038 -2.853
45 HG12 ILE 6 HG12 ILE 6 59.142 10.502 -3.693
46 HG13 ILE 6 HG11 ILE 6 57.675 10.982 -2.813
47 HG21 ILE 6 HG21 ILE 6 58.591 8.130 -5.156
48 HG22 ILE 6 HG22 ILE 6 57.644 9.623 -5.302
49 HG23 ILE 6 HG23 ILE 6 56.817 8.067 -5.060
50 HD11 ILE 6 HD1 ILE 6 58.602 9.569 -0.851
51 HD12 ILE 6 HD2 ILE 6 59.416 11.112 -1.201
52 HD13 ILE 6 HD3 ILE 6 60.144 9.581 -1.739
53 H LYS 7 HN LYS 7 56.706 10.734 -4.231
54 HA LYS 7 HA LYS 7 55.210 12.192 -5.257
55 HB2 LYS 7 HB2 LYS 7 54.476 9.978 -6.454
56 HB3 LYS 7 HB1 LYS 7 53.160 9.926 -5.263
57 HG2 LYS 7 HG2 LYS 7 52.123 11.065 -7.039
58 HG3 LYS 7 HG1 LYS 7 52.708 12.423 -6.051
59 HD2 LYS 7 HD2 LYS 7 54.696 12.647 -7.494
60 HD3 LYS 7 HD1 LYS 7 54.194 11.227 -8.440
61 HE2 LYS 7 HE2 LYS 7 52.635 13.834 -8.163
62 HE3 LYS 7 HE1 LYS 7 53.549 13.309 -9.597
63 HZ1 LYS 7 HZ1 LYS 7 51.995 11.182 -9.173
64 HZ2 LYS 7 HZ2 LYS 7 51.561 12.472 -10.189
65 HZ3 LYS 7 HZ3 LYS 7 50.971 12.404 -8.597
66 H GLY 8 HN GLY 8 55.657 11.459 -2.691
67 HA2 GLY 8 HA1 GLY 8 55.018 11.395 -0.563
68 HA3 GLY 8 HA2 GLY 8 54.430 13.062 -0.931
69 H ALA 9 HN ALA 9 53.624 9.695 -0.492
70 HA ALA 9 HA ALA 9 51.618 8.574 -0.264
71 HB1 ALA 9 HB1 ALA 9 50.002 9.706 1.277
72 HB2 ALA 9 HB2 ALA 9 50.993 11.177 1.167
73 HB3 ALA 9 HB3 ALA 9 51.675 9.698 1.879
74 H ILE 10 HN ILE 10 51.512 8.912 -2.681
75 HA ILE 10 HA ILE 10 50.181 9.227 -4.530
76 HB ILE 10 HB ILE 10 48.161 9.442 -2.295
77 HG12 ILE 10 HG12 ILE 10 46.998 7.745 -3.701
78 HG13 ILE 10 HG11 ILE 10 48.250 7.942 -4.950
79 HG21 ILE 10 HG21 ILE 10 47.652 10.655 -5.033
80 HG22 ILE 10 HG22 ILE 10 47.271 11.321 -3.422
81 HG23 ILE 10 HG23 ILE 10 46.333 9.957 -4.068
82 HD11 ILE 10 HD1 ILE 10 48.643 5.984 -3.404
83 HD12 ILE 10 HD2 ILE 10 48.823 7.142 -2.064
84 HD13 ILE 10 HD3 ILE 10 49.977 7.161 -3.419
85 H HIS 11 HN HIS 11 48.947 11.835 -2.397
86 HA HIS 11 HA HIS 11 50.204 13.846 -4.246
87 HB2 HIS 11 HB2 HIS 11 47.852 13.573 -4.930
88 HB3 HIS 11 HB1 HIS 11 47.322 13.808 -3.247
89 HD1 HIS 11 HD1 HIS 11 46.601 16.134 -2.742
90 HD2 HIS 11 HD2 HIS 11 49.571 16.030 -5.719
91 HE1 HIS 11 HE1 HIS 11 47.011 18.541 -3.494
92 H GLY 12 HN GLY 12 49.603 12.587 -1.195
93 HA2 GLY 12 HA1 GLY 12 50.810 13.475 0.719
94 HA3 GLY 12 HA2 GLY 12 50.632 15.116 0.082
95 H GLY 13 HN GLY 13 47.786 14.789 -0.589
96 HA2 GLY 13 HA1 GLY 13 46.345 14.014 1.777
97 HA3 GLY 13 HA2 GLY 13 46.672 15.757 1.812
98 H ARG 14 HN ARG 14 45.469 13.211 -0.408
99 HA ARG 14 HA ARG 14 43.031 14.760 -0.874
100 HB2 ARG 14 HB2 ARG 14 44.497 15.941 -2.441
101 HB3 ARG 14 HB1 ARG 14 45.051 14.401 -3.128
102 HG2 ARG 14 HG2 ARG 14 43.315 15.530 -4.539
103 HG3 ARG 14 HG1 ARG 14 42.809 13.919 -3.990
104 HD2 ARG 14 HD2 ARG 14 41.116 15.928 -3.793
105 HD3 ARG 14 HD1 ARG 14 41.268 14.794 -2.429
106 HE ARG 14 HE ARG 14 42.217 16.551 -1.155
107 HH11 ARG 14 HH11 ARG 14 41.129 17.764 -4.075
108 HH12 ARG 14 HH12 ARG 14 42.126 19.180 -4.068
109 HH21 ARG 14 HH21 ARG 14 43.991 18.175 -1.324
110 HH22 ARG 14 HH22 ARG 14 43.747 19.412 -2.510
111 H PHE 15 HN PHE 15 45.155 12.031 -1.373
112 HA PHE 15 HA PHE 15 43.727 10.271 -2.950
113 HB2 PHE 15 HB2 PHE 15 45.843 9.711 -1.786
114 HB3 PHE 15 HB1 PHE 15 44.964 9.616 -0.245
115 HD1 PHE 15 HD1 PHE 15 44.685 8.279 -3.777
116 HD2 PHE 15 HD2 PHE 15 44.253 7.471 0.445
117 HE1 PHE 15 HE1 PHE 15 44.074 5.922 -4.287
118 HE2 PHE 15 HE2 PHE 15 43.642 5.114 -0.072
119 HZ PHE 15 HZ PHE 15 43.623 4.322 -2.433
120 H ILE 16 HN ILE 16 42.898 11.390 0.290
121 HA ILE 16 HA ILE 16 40.361 9.757 0.178
122 HB ILE 16 HB ILE 16 41.758 10.908 2.635
123 HG12 ILE 16 HG12 ILE 16 43.157 9.156 1.705
124 HG13 ILE 16 HG11 ILE 16 42.331 8.506 3.134
125 HG21 ILE 16 HG21 ILE 16 39.195 9.359 2.177
126 HG22 ILE 16 HG22 ILE 16 39.529 10.697 3.294
127 HG23 ILE 16 HG23 ILE 16 40.115 9.062 3.671
128 HD11 ILE 16 HD1 ILE 16 41.813 7.915 0.204
129 HD12 ILE 16 HD2 ILE 16 40.541 7.641 1.416
130 HD13 ILE 16 HD3 ILE 16 42.088 6.779 1.542
131 H HIS 17 HN HIS 17 41.304 12.571 2.201
132 HA HIS 17 HA HIS 17 39.610 14.416 0.684
133 HB2 HIS 17 HB2 HIS 17 38.548 13.135 3.227
134 HB3 HIS 17 HB1 HIS 17 38.024 14.760 2.731
135 HD1 HIS 17 HD1 HIS 17 37.703 14.497 -0.269
136 HD2 HIS 17 HD2 HIS 17 36.411 11.559 2.446
137 HE1 HIS 17 HE1 HIS 17 35.933 13.088 -1.456
138 H GLY 18 HN GLY 18 42.294 14.090 1.884
139 HA2 GLY 18 HA1 GLY 18 43.269 16.460 2.466
140 HA3 GLY 18 HA2 GLY 18 42.328 16.237 3.964
141 H MET 19 HN MET 19 42.529 13.711 4.547
142 HA MET 19 HA MET 19 44.830 12.302 4.254
143 HB2 MET 19 HB2 MET 19 45.478 14.654 5.809
144 HB3 MET 19 HB1 MET 19 45.606 13.241 6.873
145 HG2 MET 19 HG2 MET 19 47.053 12.144 5.108
146 HG3 MET 19 HG1 MET 19 47.033 13.683 4.216
147 HE1 MET 19 HE1 MET 19 49.445 12.458 4.669
148 HE2 MET 19 HE2 MET 19 49.484 11.764 6.308
149 HE3 MET 19 HE3 MET 19 50.556 13.122 5.889
150 H ILE 20 HN ILE 20 43.189 10.825 4.275
151 HA ILE 20 HA ILE 20 41.823 9.254 5.317
152 HB ILE 20 HB ILE 20 43.007 10.021 8.024
153 HG12 ILE 20 HG12 ILE 20 44.259 8.279 5.848
154 HG13 ILE 20 HG11 ILE 20 44.933 9.775 6.527
155 HG21 ILE 20 HG21 ILE 20 41.074 8.315 7.692
156 HG22 ILE 20 HG22 ILE 20 42.480 7.769 8.630
157 HG23 ILE 20 HG23 ILE 20 42.292 7.265 6.934
158 HD11 ILE 20 HD1 ILE 20 46.091 8.038 7.663
159 HD12 ILE 20 HD2 ILE 20 44.612 7.072 7.871
160 HD13 ILE 20 HD3 ILE 20 44.844 8.562 8.819
161 H GLN 21 HN GLN 21 41.634 12.202 5.093
162 HA GLN 21 HA GLN 21 39.688 13.566 5.241
163 HB2 GLN 21 HB2 GLN 21 38.436 11.518 6.358
164 HB3 GLN 21 HB1 GLN 21 38.877 12.302 7.891
165 HG2 GLN 21 HG2 GLN 21 37.836 14.439 6.994
166 HG3 GLN 21 HG1 GLN 21 37.224 13.486 5.622
167 HE21 GLN 21 HE21 GLN 21 37.505 12.547 9.113
168 HE22 GLN 21 HE22 GLN 21 35.777 12.243 9.312
169 H ASN 22 HN ASN 22 42.382 13.602 6.072
170 HA ASN 22 HA ASN 22 43.860 14.700 7.457
171 HB2 ASN 22 HB2 ASN 22 43.026 16.544 6.197
172 HB3 ASN 22 HB1 ASN 22 41.599 16.707 7.260
173 HD21 ASN 22 HD21 ASN 22 45.233 16.774 7.392
174 HD22 ASN 22 HD22 ASN 22 45.300 17.972 8.688
175 H HIS 23 HN HIS 23 42.728 12.758 8.770
176 HA HIS 23 HA HIS 23 42.264 12.002 10.920
177 HB2 HIS 23 HB2 HIS 23 44.355 13.277 11.406
178 HB3 HIS 23 HB1 HIS 23 43.362 14.705 11.786
179 HD1 HIS 23 HD1 HIS 23 43.748 11.042 12.888
180 HD2 HIS 23 HD2 HIS 23 42.367 14.722 14.381
181 HE1 HIS 23 HE1 HIS 23 43.215 10.708 15.364
182 H HIS 24 HN HIS 24 40.883 12.248 12.820
183 HA HIS 24 HA HIS 24 39.080 14.537 12.974
184 HB2 HIS 24 HB2 HIS 24 38.148 13.358 10.987
185 HB3 HIS 24 HB1 HIS 24 37.941 11.895 11.979
186 HD1 HIS 24 HD1 HIS 24 35.898 11.744 13.465
187 HD2 HIS 24 HD2 HIS 24 36.462 15.583 11.842
188 HE1 HIS 24 HE1 HIS 24 33.848 13.139 14.079
Start of MODEL 33
1 H1 PHE 1 HT1 PHE 1 57.631 5.024 6.124
2 H2 PHE 1 HT2 PHE 1 58.365 6.369 6.860
3 H3 PHE 1 HT3 PHE 1 59.013 4.813 7.083
4 HA PHE 1 HA PHE 1 59.081 6.546 4.723
5 HB2 PHE 1 HB2 PHE 1 61.162 4.843 6.153
6 HB3 PHE 1 HB1 PHE 1 61.464 5.927 4.774
7 HD1 PHE 1 HD1 PHE 1 61.325 8.376 5.030
8 HD2 PHE 1 HD2 PHE 1 60.701 5.733 8.385
9 HE1 PHE 1 HE1 PHE 1 61.576 10.300 6.593
10 HE2 PHE 1 HE2 PHE 1 60.951 7.658 9.948
11 HZ PHE 1 HZ PHE 1 61.469 9.926 9.054
12 H LEU 2 HN LEU 2 57.301 4.994 3.901
13 HA LEU 2 HA LEU 2 58.088 2.295 3.207
14 HB2 LEU 2 HB2 LEU 2 55.894 4.179 2.278
15 HB3 LEU 2 HB1 LEU 2 56.115 2.580 1.533
16 HG LEU 2 HG LEU 2 55.921 1.526 3.790
17 HD11 LEU 2 HD11 LEU 2 56.634 3.212 5.310
18 HD12 LEU 2 HD12 LEU 2 54.884 3.090 5.592
19 HD13 LEU 2 HD13 LEU 2 55.537 4.430 4.617
20 HD21 LEU 2 HD21 LEU 2 53.486 1.926 4.042
21 HD22 LEU 2 HD22 LEU 2 53.936 1.785 2.325
22 HD23 LEU 2 HD23 LEU 2 53.622 3.386 3.035
23 H GLY 3 HN GLY 3 58.509 5.463 1.748
24 HA2 GLY 3 HA1 GLY 3 59.716 6.118 -0.110
25 HA3 GLY 3 HA2 GLY 3 60.567 4.564 0.000
26 H ALA 4 HN ALA 4 57.275 3.981 -0.208
27 HA ALA 4 HA ALA 4 57.494 2.816 -2.822
28 HB1 ALA 4 HB1 ALA 4 54.979 2.663 -2.644
29 HB2 ALA 4 HB2 ALA 4 55.101 3.561 -1.112
30 HB3 ALA 4 HB3 ALA 4 55.870 1.964 -1.272
31 H LEU 5 HN LEU 5 54.762 4.945 -2.310
32 HA LEU 5 HA LEU 5 55.183 6.163 -4.933
33 HB2 LEU 5 HB2 LEU 5 53.205 7.086 -2.821
34 HB3 LEU 5 HB1 LEU 5 53.072 7.199 -4.593
35 HG LEU 5 HG LEU 5 53.015 4.647 -2.922
36 HD11 LEU 5 HD11 LEU 5 50.940 6.053 -2.913
37 HD12 LEU 5 HD12 LEU 5 50.702 4.483 -3.718
38 HD13 LEU 5 HD13 LEU 5 50.902 5.960 -4.690
39 HD21 LEU 5 HD21 LEU 5 54.122 4.062 -4.961
40 HD22 LEU 5 HD22 LEU 5 53.083 5.136 -5.929
41 HD23 LEU 5 HD23 LEU 5 52.416 3.639 -5.235
42 H ILE 6 HN ILE 6 55.215 7.336 -1.543
43 HA ILE 6 HA ILE 6 55.847 9.463 -0.703
44 HB ILE 6 HB ILE 6 57.952 8.110 -0.720
45 HG12 ILE 6 HG12 ILE 6 58.895 10.846 -1.630
46 HG13 ILE 6 HG11 ILE 6 57.776 10.773 -0.250
47 HG21 ILE 6 HG21 ILE 6 58.251 7.538 -3.023
48 HG22 ILE 6 HG22 ILE 6 59.628 8.577 -2.597
49 HG23 ILE 6 HG23 ILE 6 58.269 9.243 -3.528
50 HD11 ILE 6 HD1 ILE 6 60.127 10.725 0.509
51 HD12 ILE 6 HD2 ILE 6 60.427 9.277 -0.480
52 HD13 ILE 6 HD3 ILE 6 59.307 9.196 0.901
53 H LYS 7 HN LYS 7 54.343 9.531 -3.186
54 HA LYS 7 HA LYS 7 55.374 12.110 -4.315
55 HB2 LYS 7 HB2 LYS 7 52.799 10.510 -4.788
56 HB3 LYS 7 HB1 LYS 7 53.119 12.104 -5.511
57 HG2 LYS 7 HG2 LYS 7 55.149 11.192 -6.615
58 HG3 LYS 7 HG1 LYS 7 54.806 9.594 -5.909
59 HD2 LYS 7 HD2 LYS 7 52.602 9.573 -7.075
60 HD3 LYS 7 HD1 LYS 7 53.001 11.138 -7.824
61 HE2 LYS 7 HE2 LYS 7 54.928 10.155 -8.961
62 HE3 LYS 7 HE1 LYS 7 54.669 8.604 -8.127
63 HZ1 LYS 7 HZ1 LYS 7 52.624 8.300 -9.258
64 HZ2 LYS 7 HZ2 LYS 7 53.763 8.739 -10.439
65 HZ3 LYS 7 HZ3 LYS 7 52.633 9.877 -9.879
66 H GLY 8 HN GLY 8 55.105 11.290 -1.751
67 HA2 GLY 8 HA1 GLY 8 54.580 11.696 0.275
68 HA3 GLY 8 HA2 GLY 8 54.108 13.366 -0.243
69 H ALA 9 HN ALA 9 53.039 10.003 0.011
70 HA ALA 9 HA ALA 9 50.986 9.062 0.407
71 HB1 ALA 9 HB1 ALA 9 50.141 11.779 1.460
72 HB2 ALA 9 HB2 ALA 9 51.139 10.634 2.389
73 HB3 ALA 9 HB3 ALA 9 49.486 10.185 1.902
74 H ILE 10 HN ILE 10 51.290 9.590 -2.136
75 HA ILE 10 HA ILE 10 50.046 9.729 -4.063
76 HB ILE 10 HB ILE 10 47.981 9.494 -2.120
77 HG12 ILE 10 HG12 ILE 10 48.284 8.166 -4.217
78 HG13 ILE 10 HG11 ILE 10 46.608 8.692 -3.952
79 HG21 ILE 10 HG21 ILE 10 47.258 11.780 -4.015
80 HG22 ILE 10 HG22 ILE 10 47.463 11.906 -2.257
81 HG23 ILE 10 HG23 ILE 10 46.151 10.924 -2.924
82 HD11 ILE 10 HD1 ILE 10 48.439 10.433 -5.630
83 HD12 ILE 10 HD2 ILE 10 46.671 10.249 -5.709
84 HD13 ILE 10 HD3 ILE 10 47.727 8.970 -6.349
85 H HIS 11 HN HIS 11 49.440 12.408 -1.792
86 HA HIS 11 HA HIS 11 50.755 14.316 -3.545
87 HB2 HIS 11 HB2 HIS 11 47.717 14.299 -3.346
88 HB3 HIS 11 HB1 HIS 11 48.621 15.793 -3.685
89 HD1 HIS 11 HD1 HIS 11 50.849 14.628 -5.525
90 HD2 HIS 11 HD2 HIS 11 46.739 13.843 -5.933
91 HE1 HIS 11 HE1 HIS 11 50.453 13.878 -7.935
92 H GLY 12 HN GLY 12 49.262 13.203 -0.699
93 HA2 GLY 12 HA1 GLY 12 50.338 14.147 1.381
94 HA3 GLY 12 HA2 GLY 12 49.940 15.761 0.758
95 H GLY 13 HN GLY 13 47.980 12.782 0.650
96 HA2 GLY 13 HA1 GLY 13 45.905 12.321 1.564
97 HA3 GLY 13 HA2 GLY 13 46.314 13.436 2.884
98 H ARG 14 HN ARG 14 45.165 13.291 -0.491
99 HA ARG 14 HA ARG 14 43.256 15.488 0.126
100 HB2 ARG 14 HB2 ARG 14 45.167 16.742 -0.685
101 HB3 ARG 14 HB1 ARG 14 45.384 15.628 -2.051
102 HG2 ARG 14 HG2 ARG 14 44.249 17.809 -2.656
103 HG3 ARG 14 HG1 ARG 14 43.307 16.363 -3.075
104 HD2 ARG 14 HD2 ARG 14 41.785 16.691 -1.284
105 HD3 ARG 14 HD1 ARG 14 42.897 17.781 -0.417
106 HE ARG 14 HE ARG 14 41.028 18.562 -2.501
107 HH11 ARG 14 HH11 ARG 14 43.119 19.597 -4.015
108 HH12 ARG 14 HH12 ARG 14 43.618 21.056 -3.227
109 HH21 ARG 14 HH21 ARG 14 42.097 20.260 -0.213
110 HH22 ARG 14 HH22 ARG 14 43.040 21.432 -1.072
111 H PHE 15 HN PHE 15 44.603 13.418 -2.505
112 HA PHE 15 HA PHE 15 42.068 13.333 -3.899
113 HB2 PHE 15 HB2 PHE 15 44.495 12.821 -4.778
114 HB3 PHE 15 HB1 PHE 15 44.188 11.179 -4.181
115 HD1 PHE 15 HD1 PHE 15 43.313 13.705 -6.710
116 HD2 PHE 15 HD2 PHE 15 42.339 9.809 -5.130
117 HE1 PHE 15 HE1 PHE 15 41.992 13.202 -8.762
118 HE2 PHE 15 HE2 PHE 15 41.018 9.307 -7.182
119 HZ PHE 15 HZ PHE 15 40.900 10.978 -9.026
120 H ILE 16 HN ILE 16 43.785 10.480 -2.549
121 HA ILE 16 HA ILE 16 41.170 9.240 -1.928
122 HB ILE 16 HB ILE 16 42.634 7.369 -1.006
123 HG12 ILE 16 HG12 ILE 16 44.874 9.062 -2.215
124 HG13 ILE 16 HG11 ILE 16 44.598 8.849 -0.472
125 HG21 ILE 16 HG21 ILE 16 43.419 8.143 -3.845
126 HG22 ILE 16 HG22 ILE 16 41.789 7.562 -3.431
127 HG23 ILE 16 HG23 ILE 16 43.199 6.513 -3.170
128 HD11 ILE 16 HD1 ILE 16 44.741 6.293 -0.961
129 HD12 ILE 16 HD2 ILE 16 46.253 7.230 -0.998
130 HD13 ILE 16 HD3 ILE 16 45.454 6.776 -2.519
131 H HIS 17 HN HIS 17 41.251 11.549 -0.645
132 HA HIS 17 HA HIS 17 41.649 10.743 2.232
133 HB2 HIS 17 HB2 HIS 17 43.534 12.237 1.423
134 HB3 HIS 17 HB1 HIS 17 42.316 13.496 1.108
135 HD1 HIS 17 HD1 HIS 17 41.911 15.054 3.007
136 HD2 HIS 17 HD2 HIS 17 43.205 11.276 4.326
137 HE1 HIS 17 HE1 HIS 17 42.154 15.177 5.547
138 H GLY 18 HN GLY 18 40.531 13.646 0.389
139 HA2 GLY 18 HA1 GLY 18 38.299 14.091 2.152
140 HA3 GLY 18 HA2 GLY 18 38.474 14.739 0.498
141 H MET 19 HN MET 19 38.453 12.931 -1.181
142 HA MET 19 HA MET 19 37.226 10.556 -0.938
143 HB2 MET 19 HB2 MET 19 35.171 12.525 -0.428
144 HB3 MET 19 HB1 MET 19 34.794 11.712 -1.958
145 HG2 MET 19 HG2 MET 19 35.108 9.498 -0.756
146 HG3 MET 19 HG1 MET 19 35.246 10.415 0.762
147 HE1 MET 19 HE1 MET 19 33.167 10.067 -2.491
148 HE2 MET 19 HE2 MET 19 31.564 9.644 -1.844
149 HE3 MET 19 HE3 MET 19 32.953 8.569 -1.554
150 H ILE 20 HN ILE 20 38.791 10.240 -2.420
151 HA ILE 20 HA ILE 20 39.571 10.054 -4.602
152 HB ILE 20 HB ILE 20 36.809 10.813 -5.653
153 HG12 ILE 20 HG12 ILE 20 37.688 8.148 -4.441
154 HG13 ILE 20 HG11 ILE 20 36.381 9.200 -3.857
155 HG21 ILE 20 HG21 ILE 20 38.876 10.345 -7.150
156 HG22 ILE 20 HG22 ILE 20 37.398 9.428 -7.510
157 HG23 ILE 20 HG23 ILE 20 38.731 8.654 -6.621
158 HD11 ILE 20 HD1 ILE 20 35.334 8.904 -6.213
159 HD12 ILE 20 HD2 ILE 20 35.264 7.515 -5.103
160 HD13 ILE 20 HD3 ILE 20 36.476 7.551 -6.403
161 H GLN 21 HN GLN 21 39.053 12.457 -2.936
162 HA GLN 21 HA GLN 21 40.106 14.611 -3.195
163 HB2 GLN 21 HB2 GLN 21 40.718 13.997 -5.688
164 HB3 GLN 21 HB1 GLN 21 39.177 14.784 -6.095
165 HG2 GLN 21 HG2 GLN 21 39.943 16.828 -4.859
166 HG3 GLN 21 HG1 GLN 21 41.514 16.038 -4.592
167 HE21 GLN 21 HE21 GLN 21 41.694 14.696 -7.184
168 HE22 GLN 21 HE22 GLN 21 41.929 15.960 -8.395
169 H ASN 22 HN ASN 22 37.604 13.459 -2.494
170 HA ASN 22 HA ASN 22 35.376 13.975 -2.185
171 HB2 ASN 22 HB2 ASN 22 34.995 16.274 -1.347
172 HB3 ASN 22 HB1 ASN 22 36.432 15.486 -0.635
173 HD21 ASN 22 HD21 ASN 22 38.320 16.712 -0.677
174 HD22 ASN 22 HD22 ASN 22 38.615 18.052 -1.789
175 H HIS 23 HN HIS 23 36.004 13.558 -4.749
176 HA HIS 23 HA HIS 23 33.818 15.017 -6.075
177 HB2 HIS 23 HB2 HIS 23 36.709 15.501 -6.892
178 HB3 HIS 23 HB1 HIS 23 35.336 15.787 -7.985
179 HD1 HIS 23 HD1 HIS 23 33.265 17.142 -6.340
180 HD2 HIS 23 HD2 HIS 23 37.359 18.004 -5.917
181 HE1 HIS 23 HE1 HIS 23 33.450 19.434 -5.227
182 H HIS 24 HN HIS 24 33.188 12.733 -6.028
183 HA HIS 24 HA HIS 24 34.728 10.787 -7.535
184 HB2 HIS 24 HB2 HIS 24 32.649 9.415 -7.363
185 HB3 HIS 24 HB1 HIS 24 33.175 10.072 -5.794
186 HD1 HIS 24 HD1 HIS 24 31.741 11.934 -4.695
187 HD2 HIS 24 HD2 HIS 24 30.227 10.534 -8.361
188 HE1 HIS 24 HE1 HIS 24 29.372 12.859 -4.945
Start of MODEL 34
1 H1 PHE 1 HT1 PHE 1 61.880 1.632 5.836
2 H2 PHE 1 HT2 PHE 1 62.049 3.115 5.023
3 H3 PHE 1 HT3 PHE 1 61.557 1.727 4.175
4 HA PHE 1 HA PHE 1 59.521 1.631 5.360
5 HB2 PHE 1 HB2 PHE 1 60.519 2.575 7.483
6 HB3 PHE 1 HB1 PHE 1 60.439 4.187 6.733
7 HD1 PHE 1 HD1 PHE 1 58.367 1.218 7.714
8 HD2 PHE 1 HD2 PHE 1 58.380 5.407 6.670
9 HE1 PHE 1 HE1 PHE 1 55.967 1.387 8.362
10 HE2 PHE 1 HE2 PHE 1 55.979 5.575 7.318
11 HZ PHE 1 HZ PHE 1 54.773 3.565 8.160
12 H LEU 2 HN LEU 2 59.174 1.933 3.079
13 HA LEU 2 HA LEU 2 59.244 4.565 1.887
14 HB2 LEU 2 HB2 LEU 2 57.935 1.932 1.139
15 HB3 LEU 2 HB1 LEU 2 57.696 3.388 0.156
16 HG LEU 2 HG LEU 2 59.581 1.805 -0.572
17 HD11 LEU 2 HD11 LEU 2 60.649 4.583 0.055
18 HD12 LEU 2 HD12 LEU 2 59.363 4.328 -1.145
19 HD13 LEU 2 HD13 LEU 2 60.950 3.565 -1.367
20 HD21 LEU 2 HD21 LEU 2 61.076 3.052 1.774
21 HD22 LEU 2 HD22 LEU 2 61.667 1.821 0.635
22 HD23 LEU 2 HD23 LEU 2 60.390 1.411 1.802
23 H GLY 3 HN GLY 3 56.446 2.475 2.752
24 HA2 GLY 3 HA1 GLY 3 54.452 3.110 3.800
25 HA3 GLY 3 HA2 GLY 3 55.024 4.786 3.885
26 H ALA 4 HN ALA 4 55.662 4.994 1.047
27 HA ALA 4 HA ALA 4 53.253 4.393 -0.464
28 HB1 ALA 4 HB1 ALA 4 52.398 6.643 -0.722
29 HB2 ALA 4 HB2 ALA 4 53.689 7.295 0.315
30 HB3 ALA 4 HB3 ALA 4 52.437 6.238 1.010
31 H LEU 5 HN LEU 5 53.270 5.583 -2.615
32 HA LEU 5 HA LEU 5 55.988 5.380 -3.699
33 HB2 LEU 5 HB2 LEU 5 53.539 6.395 -5.177
34 HB3 LEU 5 HB1 LEU 5 54.958 5.544 -5.829
35 HG LEU 5 HG LEU 5 52.830 4.370 -3.983
36 HD11 LEU 5 HD11 LEU 5 53.579 3.775 -6.882
37 HD12 LEU 5 HD12 LEU 5 52.141 4.680 -6.353
38 HD13 LEU 5 HD13 LEU 5 52.311 2.957 -5.940
39 HD21 LEU 5 HD21 LEU 5 55.453 3.268 -5.077
40 HD22 LEU 5 HD22 LEU 5 54.129 2.204 -4.543
41 HD23 LEU 5 HD23 LEU 5 54.898 3.316 -3.386
42 H ILE 6 HN ILE 6 56.148 7.328 -1.839
43 HA ILE 6 HA ILE 6 56.485 9.627 -1.458
44 HB ILE 6 HB ILE 6 57.608 9.941 -4.272
45 HG12 ILE 6 HG12 ILE 6 58.087 7.533 -3.746
46 HG13 ILE 6 HG11 ILE 6 59.548 8.532 -3.853
47 HG21 ILE 6 HG21 ILE 6 58.652 10.488 -1.454
48 HG22 ILE 6 HG22 ILE 6 58.043 11.678 -2.624
49 HG23 ILE 6 HG23 ILE 6 59.562 10.815 -2.945
50 HD11 ILE 6 HD1 ILE 6 59.329 6.857 -1.853
51 HD12 ILE 6 HD2 ILE 6 58.220 8.060 -1.162
52 HD13 ILE 6 HD3 ILE 6 59.905 8.503 -1.517
53 H LYS 7 HN LYS 7 56.728 11.588 -3.809
54 HA LYS 7 HA LYS 7 55.246 13.290 -4.395
55 HB2 LYS 7 HB2 LYS 7 53.170 11.067 -4.748
56 HB3 LYS 7 HB1 LYS 7 53.115 12.697 -5.459
57 HG2 LYS 7 HG2 LYS 7 55.170 12.197 -6.763
58 HG3 LYS 7 HG1 LYS 7 55.221 10.572 -6.050
59 HD2 LYS 7 HD2 LYS 7 54.154 10.189 -8.124
60 HD3 LYS 7 HD1 LYS 7 52.787 10.309 -6.993
61 HE2 LYS 7 HE2 LYS 7 52.345 12.602 -7.667
62 HE3 LYS 7 HE1 LYS 7 53.844 12.665 -8.625
63 HZ1 LYS 7 HZ1 LYS 7 52.661 10.531 -9.686
64 HZ2 LYS 7 HZ2 LYS 7 52.441 12.109 -10.276
65 HZ3 LYS 7 HZ3 LYS 7 51.285 11.418 -9.239
66 H GLY 8 HN GLY 8 55.793 12.036 -2.061
67 HA2 GLY 8 HA1 GLY 8 55.273 11.573 0.050
68 HA3 GLY 8 HA2 GLY 8 54.762 13.305 0.060
69 H ALA 9 HN ALA 9 53.733 9.970 -0.434
70 HA ALA 9 HA ALA 9 51.741 8.896 -0.056
71 HB1 ALA 9 HB1 ALA 9 50.795 11.354 1.449
72 HB2 ALA 9 HB2 ALA 9 51.953 10.196 2.146
73 HB3 ALA 9 HB3 ALA 9 50.320 9.658 1.688
74 H ILE 10 HN ILE 10 51.607 9.323 -2.421
75 HA ILE 10 HA ILE 10 50.314 9.804 -4.260
76 HB ILE 10 HB ILE 10 48.298 10.153 -2.032
77 HG12 ILE 10 HG12 ILE 10 48.141 8.667 -4.690
78 HG13 ILE 10 HG11 ILE 10 48.884 7.982 -3.229
79 HG21 ILE 10 HG21 ILE 10 47.592 12.068 -3.247
80 HG22 ILE 10 HG22 ILE 10 46.547 10.760 -3.838
81 HG23 ILE 10 HG23 ILE 10 47.928 11.302 -4.819
82 HD11 ILE 10 HD1 ILE 10 46.502 8.700 -2.143
83 HD12 ILE 10 HD2 ILE 10 46.724 7.144 -2.972
84 HD13 ILE 10 HD3 ILE 10 45.972 8.504 -3.831
85 H HIS 11 HN HIS 11 49.357 12.426 -1.988
86 HA HIS 11 HA HIS 11 50.998 14.370 -3.452
87 HB2 HIS 11 HB2 HIS 11 47.958 14.389 -3.649
88 HB3 HIS 11 HB1 HIS 11 48.966 15.825 -3.956
89 HD1 HIS 11 HD1 HIS 11 47.374 13.179 -5.741
90 HD2 HIS 11 HD2 HIS 11 51.205 14.903 -5.947
91 HE1 HIS 11 HE1 HIS 11 48.330 12.639 -8.048
92 H GLY 12 HN GLY 12 49.817 13.063 -0.784
93 HA2 GLY 12 HA1 GLY 12 50.629 14.318 1.282
94 HA3 GLY 12 HA2 GLY 12 49.617 15.668 0.732
95 H GLY 13 HN GLY 13 48.229 12.684 -0.064
96 HA2 GLY 13 HA1 GLY 13 46.514 11.443 0.887
97 HA3 GLY 13 HA2 GLY 13 46.980 12.081 2.477
98 H ARG 14 HN ARG 14 45.892 13.726 -0.504
99 HA ARG 14 HA ARG 14 43.378 14.536 0.907
100 HB2 ARG 14 HB2 ARG 14 43.692 16.856 0.518
101 HB3 ARG 14 HB1 ARG 14 45.243 16.296 1.167
102 HG2 ARG 14 HG2 ARG 14 45.926 17.597 -0.670
103 HG3 ARG 14 HG1 ARG 14 45.928 15.955 -1.346
104 HD2 ARG 14 HD2 ARG 14 44.450 16.635 -2.957
105 HD3 ARG 14 HD1 ARG 14 43.259 17.083 -1.718
106 HE ARG 14 HE ARG 14 43.894 19.333 -2.022
107 HH11 ARG 14 HH11 ARG 14 44.843 20.836 -3.470
108 HH12 ARG 14 HH12 ARG 14 46.414 20.487 -4.111
109 HH21 ARG 14 HH21 ARG 14 46.544 17.294 -2.764
110 HH22 ARG 14 HH22 ARG 14 47.377 18.481 -3.711
111 H PHE 15 HN PHE 15 45.316 14.271 -2.060
112 HA PHE 15 HA PHE 15 43.164 14.895 -3.872
113 HB2 PHE 15 HB2 PHE 15 45.653 14.784 -4.421
114 HB3 PHE 15 HB1 PHE 15 45.498 13.012 -4.394
115 HD1 PHE 15 HD1 PHE 15 44.947 11.919 -6.422
116 HD2 PHE 15 HD2 PHE 15 43.800 16.045 -5.867
117 HE1 PHE 15 HE1 PHE 15 44.065 11.988 -8.749
118 HE2 PHE 15 HE2 PHE 15 42.918 16.111 -8.195
119 HZ PHE 15 HZ PHE 15 43.020 14.073 -9.625
120 H ILE 16 HN ILE 16 41.275 13.872 -3.430
121 HA ILE 16 HA ILE 16 39.834 12.092 -2.959
122 HB ILE 16 HB ILE 16 39.800 10.380 -4.812
123 HG12 ILE 16 HG12 ILE 16 42.171 11.966 -5.912
124 HG13 ILE 16 HG11 ILE 16 42.322 10.369 -5.149
125 HG21 ILE 16 HG21 ILE 16 40.172 13.225 -5.836
126 HG22 ILE 16 HG22 ILE 16 38.733 12.688 -4.938
127 HG23 ILE 16 HG23 ILE 16 39.123 11.957 -6.510
128 HD11 ILE 16 HD1 ILE 16 40.930 11.104 -7.744
129 HD12 ILE 16 HD2 ILE 16 40.540 9.593 -6.888
130 HD13 ILE 16 HD3 ILE 16 42.195 9.888 -7.464
131 H HIS 17 HN HIS 17 41.696 11.884 -1.090
132 HA HIS 17 HA HIS 17 42.107 8.917 -0.895
133 HB2 HIS 17 HB2 HIS 17 44.245 9.951 -1.681
134 HB3 HIS 17 HB1 HIS 17 44.251 10.970 -0.222
135 HD1 HIS 17 HD1 HIS 17 44.826 7.458 -1.438
136 HD2 HIS 17 HD2 HIS 17 44.740 9.538 2.219
137 HE1 HIS 17 HE1 HIS 17 45.805 5.908 0.344
138 H GLY 18 HN GLY 18 41.669 12.093 0.580
139 HA2 GLY 18 HA1 GLY 18 41.991 11.520 3.308
140 HA3 GLY 18 HA2 GLY 18 40.747 12.616 2.646
141 H MET 19 HN MET 19 39.242 11.093 1.216
142 HA MET 19 HA MET 19 38.304 8.696 2.320
143 HB2 MET 19 HB2 MET 19 37.750 10.420 4.218
144 HB3 MET 19 HB1 MET 19 36.473 10.938 3.100
145 HG2 MET 19 HG2 MET 19 35.426 9.316 4.489
146 HG3 MET 19 HG1 MET 19 35.810 8.423 3.000
147 HE1 MET 19 HE1 MET 19 35.961 8.544 6.704
148 HE2 MET 19 HE2 MET 19 37.386 9.570 6.407
149 HE3 MET 19 HE3 MET 19 37.579 7.983 7.191
150 H ILE 20 HN ILE 20 38.878 10.598 0.055
151 HA ILE 20 HA ILE 20 37.959 10.950 -2.037
152 HB ILE 20 HB ILE 20 35.682 9.023 -1.380
153 HG12 ILE 20 HG12 ILE 20 37.545 7.692 -0.744
154 HG13 ILE 20 HG11 ILE 20 37.242 7.231 -2.429
155 HG21 ILE 20 HG21 ILE 20 35.401 10.170 -3.459
156 HG22 ILE 20 HG22 ILE 20 35.952 8.531 -3.863
157 HG23 ILE 20 HG23 ILE 20 37.088 9.895 -3.937
158 HD11 ILE 20 HD1 ILE 20 39.589 7.523 -2.352
159 HD12 ILE 20 HD2 ILE 20 39.479 8.950 -1.300
160 HD13 ILE 20 HD3 ILE 20 39.023 9.070 -3.009
161 H GLN 21 HN GLN 21 36.728 11.316 1.019
162 HA GLN 21 HA GLN 21 34.754 13.419 0.040
163 HB2 GLN 21 HB2 GLN 21 33.374 11.537 0.631
164 HB3 GLN 21 HB1 GLN 21 34.281 11.264 2.134
165 HG2 GLN 21 HG2 GLN 21 32.033 12.424 2.423
166 HG3 GLN 21 HG1 GLN 21 33.414 13.291 3.124
167 HE21 GLN 21 HE21 GLN 21 32.341 13.080 -0.337
168 HE22 GLN 21 HE22 GLN 21 32.113 14.823 -0.516
169 H ASN 22 HN ASN 22 37.430 12.550 2.084
170 HA ASN 22 HA ASN 22 36.857 14.903 3.888
171 HB2 ASN 22 HB2 ASN 22 37.349 12.712 4.974
172 HB3 ASN 22 HB1 ASN 22 38.931 12.697 4.164
173 HD21 ASN 22 HD21 ASN 22 36.927 14.985 6.168
174 HD22 ASN 22 HD22 ASN 22 38.304 15.572 7.106
175 H HIS 23 HN HIS 23 39.109 13.503 1.543
176 HA HIS 23 HA HIS 23 41.046 14.380 0.609
177 HB2 HIS 23 HB2 HIS 23 39.286 16.857 0.698
178 HB3 HIS 23 HB1 HIS 23 40.753 16.687 -0.294
179 HD1 HIS 23 HD1 HIS 23 38.801 17.097 -2.244
180 HD2 HIS 23 HD2 HIS 23 38.869 13.370 -0.295
181 HE1 HIS 23 HE1 HIS 23 37.510 15.448 -3.708
182 H HIS 24 HN HIS 24 41.507 14.126 3.276
183 HA HIS 24 HA HIS 24 42.150 16.415 4.766
184 HB2 HIS 24 HB2 HIS 24 42.287 13.998 5.516
185 HB3 HIS 24 HB1 HIS 24 43.838 13.885 4.650
186 HD1 HIS 24 HD1 HIS 24 45.885 15.138 5.622
187 HD2 HIS 24 HD2 HIS 24 42.350 15.728 7.820
188 HE1 HIS 24 HE1 HIS 24 46.540 16.215 7.845
Start of MODEL 35
1 H1 PHE 1 HT1 PHE 1 60.086 5.663 7.744
2 H2 PHE 1 HT2 PHE 1 59.195 7.072 8.076
3 H3 PHE 1 HT3 PHE 1 60.835 6.973 8.516
4 HA PHE 1 HA PHE 1 60.155 8.274 6.438
5 HB2 PHE 1 HB2 PHE 1 62.307 7.622 5.379
6 HB3 PHE 1 HB1 PHE 1 62.471 7.880 7.132
7 HD1 PHE 1 HD1 PHE 1 62.479 5.883 8.691
8 HD2 PHE 1 HD2 PHE 1 62.736 5.466 4.400
9 HE1 PHE 1 HE1 PHE 1 63.330 3.557 8.966
10 HE2 PHE 1 HE2 PHE 1 63.587 3.142 4.678
11 HZ PHE 1 HZ PHE 1 63.894 2.191 6.960
12 H LEU 2 HN LEU 2 59.213 8.137 4.499
13 HA LEU 2 HA LEU 2 57.909 5.717 3.681
14 HB2 LEU 2 HB2 LEU 2 58.601 8.043 1.852
15 HB3 LEU 2 HB1 LEU 2 57.212 6.935 1.750
16 HG LEU 2 HG LEU 2 57.729 9.008 3.927
17 HD11 LEU 2 HD11 LEU 2 55.644 10.019 3.028
18 HD12 LEU 2 HD12 LEU 2 55.585 8.759 1.771
19 HD13 LEU 2 HD13 LEU 2 56.919 9.937 1.790
20 HD21 LEU 2 HD21 LEU 2 55.332 8.266 4.606
21 HD22 LEU 2 HD22 LEU 2 56.669 7.179 5.039
22 HD23 LEU 2 HD23 LEU 2 55.641 6.809 3.632
23 H GLY 3 HN GLY 3 58.262 5.288 1.063
24 HA2 GLY 3 HA1 GLY 3 60.884 5.172 0.049
25 HA3 GLY 3 HA2 GLY 3 60.661 3.702 1.016
26 H ALA 4 HN ALA 4 57.866 5.122 -0.473
27 HA ALA 4 HA ALA 4 58.064 3.674 -2.984
28 HB1 ALA 4 HB1 ALA 4 56.244 2.541 -0.831
29 HB2 ALA 4 HB2 ALA 4 57.696 1.755 -1.498
30 HB3 ALA 4 HB3 ALA 4 56.277 2.035 -2.536
31 H LEU 5 HN LEU 5 55.464 4.447 -0.618
32 HA LEU 5 HA LEU 5 53.840 5.661 -2.735
33 HB2 LEU 5 HB2 LEU 5 53.353 5.898 0.252
34 HB3 LEU 5 HB1 LEU 5 52.166 5.893 -1.074
35 HG LEU 5 HG LEU 5 53.883 3.542 -0.162
36 HD11 LEU 5 HD11 LEU 5 50.871 4.035 -0.101
37 HD12 LEU 5 HD12 LEU 5 51.958 4.087 1.308
38 HD13 LEU 5 HD13 LEU 5 51.696 2.554 0.441
39 HD21 LEU 5 HD21 LEU 5 53.657 3.321 -2.538
40 HD22 LEU 5 HD22 LEU 5 51.976 3.910 -2.512
41 HD23 LEU 5 HD23 LEU 5 52.370 2.303 -1.853
42 H ILE 6 HN ILE 6 56.229 6.980 -2.793
43 HA ILE 6 HA ILE 6 56.096 9.415 -1.107
44 HB ILE 6 HB ILE 6 58.005 10.185 -2.506
45 HG12 ILE 6 HG12 ILE 6 57.486 7.636 -4.114
46 HG13 ILE 6 HG11 ILE 6 57.236 9.297 -4.695
47 HG21 ILE 6 HG21 ILE 6 59.593 8.541 -1.796
48 HG22 ILE 6 HG22 ILE 6 58.396 7.227 -1.908
49 HG23 ILE 6 HG23 ILE 6 58.258 8.453 -0.625
50 HD11 ILE 6 HD1 ILE 6 59.368 8.716 -5.551
51 HD12 ILE 6 HD2 ILE 6 59.848 7.892 -4.050
52 HD13 ILE 6 HD3 ILE 6 59.748 9.670 -4.098
53 H LYS 7 HN LYS 7 56.916 11.170 -3.454
54 HA LYS 7 HA LYS 7 55.692 12.861 -4.492
55 HB2 LYS 7 HB2 LYS 7 54.996 10.876 -6.044
56 HB3 LYS 7 HB1 LYS 7 53.514 10.794 -5.064
57 HG2 LYS 7 HG2 LYS 7 52.902 13.059 -5.666
58 HG3 LYS 7 HG1 LYS 7 54.476 13.333 -6.452
59 HD2 LYS 7 HD2 LYS 7 53.948 11.534 -8.095
60 HD3 LYS 7 HD1 LYS 7 52.351 11.330 -7.336
61 HE2 LYS 7 HE2 LYS 7 51.730 13.619 -7.899
62 HE3 LYS 7 HE1 LYS 7 53.367 13.954 -8.510
63 HZ1 LYS 7 HZ1 LYS 7 52.919 12.949 -10.437
64 HZ2 LYS 7 HZ2 LYS 7 51.281 13.073 -10.002
65 HZ3 LYS 7 HZ3 LYS 7 52.137 11.636 -9.702
66 H GLY 8 HN GLY 8 55.704 11.797 -2.004
67 HA2 GLY 8 HA1 GLY 8 54.784 11.560 -0.006
68 HA3 GLY 8 HA2 GLY 8 54.359 13.298 -0.243
69 H ALA 9 HN ALA 9 53.300 9.988 -0.210
70 HA ALA 9 HA ALA 9 51.221 9.025 -0.058
71 HB1 ALA 9 HB1 ALA 9 50.167 11.780 0.642
72 HB2 ALA 9 HB2 ALA 9 51.058 10.756 1.794
73 HB3 ALA 9 HB3 ALA 9 49.507 10.198 1.120
74 H ILE 10 HN ILE 10 51.993 9.631 -2.606
75 HA ILE 10 HA ILE 10 51.070 9.645 -4.712
76 HB ILE 10 HB ILE 10 48.798 8.998 -3.096
77 HG12 ILE 10 HG12 ILE 10 47.813 8.287 -5.397
78 HG13 ILE 10 HG11 ILE 10 49.324 8.914 -6.094
79 HG21 ILE 10 HG21 ILE 10 46.901 10.104 -4.136
80 HG22 ILE 10 HG22 ILE 10 47.972 11.056 -5.188
81 HG23 ILE 10 HG23 ILE 10 47.963 11.339 -3.432
82 HD11 ILE 10 HD1 ILE 10 49.765 6.609 -5.727
83 HD12 ILE 10 HD2 ILE 10 48.938 6.611 -4.151
84 HD13 ILE 10 HD3 ILE 10 50.519 7.405 -4.326
85 H HIS 11 HN HIS 11 49.852 12.151 -2.501
86 HA HIS 11 HA HIS 11 50.952 14.269 -4.109
87 HB2 HIS 11 HB2 HIS 11 49.030 13.694 -5.585
88 HB3 HIS 11 HB1 HIS 11 47.922 13.958 -4.218
89 HD1 HIS 11 HD1 HIS 11 46.748 16.107 -4.751
90 HD2 HIS 11 HD2 HIS 11 50.880 16.335 -5.487
91 HE1 HIS 11 HE1 HIS 11 47.285 18.536 -5.330
92 H GLY 12 HN GLY 12 49.529 12.892 -1.423
93 HA2 GLY 12 HA1 GLY 12 50.152 14.289 0.650
94 HA3 GLY 12 HA2 GLY 12 49.102 15.537 -0.054
95 H GLY 13 HN GLY 13 48.340 12.155 -0.491
96 HA2 GLY 13 HA1 GLY 13 46.537 10.911 0.251
97 HA3 GLY 13 HA2 GLY 13 46.786 11.686 1.828
98 H ARG 14 HN ARG 14 45.324 12.168 -1.396
99 HA ARG 14 HA ARG 14 42.856 13.110 -0.200
100 HB2 ARG 14 HB2 ARG 14 44.451 15.112 0.043
101 HB3 ARG 14 HB1 ARG 14 44.416 15.221 -1.728
102 HG2 ARG 14 HG2 ARG 14 42.719 16.726 -0.936
103 HG3 ARG 14 HG1 ARG 14 41.870 15.305 -1.577
104 HD2 ARG 14 HD2 ARG 14 41.202 14.580 0.552
105 HD3 ARG 14 HD1 ARG 14 42.572 15.365 1.372
106 HE ARG 14 HE ARG 14 40.982 17.422 0.249
107 HH11 ARG 14 HH11 ARG 14 38.835 17.867 1.103
108 HH12 ARG 14 HH12 ARG 14 38.531 17.383 2.738
109 HH21 ARG 14 HH21 ARG 14 41.436 15.505 3.000
110 HH22 ARG 14 HH22 ARG 14 40.004 16.045 3.812
111 H PHE 15 HN PHE 15 44.974 13.095 -3.070
112 HA PHE 15 HA PHE 15 42.964 13.367 -5.060
113 HB2 PHE 15 HB2 PHE 15 45.475 13.321 -5.433
114 HB3 PHE 15 HB1 PHE 15 45.400 11.552 -5.256
115 HD1 PHE 15 HD1 PHE 15 44.259 10.155 -6.929
116 HD2 PHE 15 HD2 PHE 15 44.476 14.443 -7.371
117 HE1 PHE 15 HE1 PHE 15 43.551 9.944 -9.308
118 HE2 PHE 15 HE2 PHE 15 43.768 14.233 -9.751
119 HZ PHE 15 HZ PHE 15 43.268 11.987 -10.707
120 H ILE 16 HN ILE 16 44.100 10.615 -3.199
121 HA ILE 16 HA ILE 16 41.577 9.226 -3.568
122 HB ILE 16 HB ILE 16 42.532 8.437 -5.640
123 HG12 ILE 16 HG12 ILE 16 42.618 6.044 -5.292
124 HG13 ILE 16 HG11 ILE 16 43.086 6.238 -3.594
125 HG21 ILE 16 HG21 ILE 16 44.738 7.610 -5.933
126 HG22 ILE 16 HG22 ILE 16 45.016 7.452 -4.186
127 HG23 ILE 16 HG23 ILE 16 44.935 9.062 -4.934
128 HD11 ILE 16 HD1 ILE 16 40.487 7.404 -4.650
129 HD12 ILE 16 HD2 ILE 16 40.938 7.032 -2.967
130 HD13 ILE 16 HD3 ILE 16 40.593 5.711 -4.109
131 H HIS 17 HN HIS 17 41.693 9.741 -1.372
132 HA HIS 17 HA HIS 17 42.770 7.591 0.251
133 HB2 HIS 17 HB2 HIS 17 44.863 8.889 -0.083
134 HB3 HIS 17 HB1 HIS 17 44.050 10.341 0.547
135 HD1 HIS 17 HD1 HIS 17 45.537 10.544 2.648
136 HD2 HIS 17 HD2 HIS 17 43.668 6.797 2.290
137 HE1 HIS 17 HE1 HIS 17 45.797 9.344 4.888
138 H GLY 18 HN GLY 18 41.848 11.077 0.275
139 HA2 GLY 18 HA1 GLY 18 40.483 10.929 2.812
140 HA3 GLY 18 HA2 GLY 18 40.204 12.146 1.536
141 H MET 19 HN MET 19 39.257 11.150 -0.482
142 HA MET 19 HA MET 19 37.750 8.993 -0.775
143 HB2 MET 19 HB2 MET 19 36.405 10.582 1.309
144 HB3 MET 19 HB1 MET 19 35.336 10.228 -0.061
145 HG2 MET 19 HG2 MET 19 35.513 7.889 0.253
146 HG3 MET 19 HG1 MET 19 36.988 8.032 1.236
147 HE1 MET 19 HE1 MET 19 34.078 6.597 3.527
148 HE2 MET 19 HE2 MET 19 35.568 6.224 2.628
149 HE3 MET 19 HE3 MET 19 34.044 6.496 1.750
150 H ILE 20 HN ILE 20 38.672 9.659 -2.704
151 HA ILE 20 HA ILE 20 38.472 10.592 -4.828
152 HB ILE 20 HB ILE 20 35.689 11.645 -4.132
153 HG12 ILE 20 HG12 ILE 20 35.462 9.407 -3.374
154 HG13 ILE 20 HG11 ILE 20 34.847 9.366 -5.036
155 HG21 ILE 20 HG21 ILE 20 36.452 12.343 -6.283
156 HG22 ILE 20 HG22 ILE 20 35.323 11.009 -6.588
157 HG23 ILE 20 HG23 ILE 20 37.074 10.733 -6.690
158 HD11 ILE 20 HD1 ILE 20 37.454 8.278 -3.939
159 HD12 ILE 20 HD2 ILE 20 37.321 8.692 -5.659
160 HD13 ILE 20 HD3 ILE 20 36.245 7.471 -4.955
161 H GLN 21 HN GLN 21 38.946 11.775 -2.109
162 HA GLN 21 HA GLN 21 40.038 13.800 -1.499
163 HB2 GLN 21 HB2 GLN 21 38.519 15.265 -3.713
164 HB3 GLN 21 HB1 GLN 21 39.816 15.901 -2.696
165 HG2 GLN 21 HG2 GLN 21 41.506 14.783 -3.848
166 HG3 GLN 21 HG1 GLN 21 40.456 13.440 -4.335
167 HE21 GLN 21 HE21 GLN 21 39.440 13.547 -6.381
168 HE22 GLN 21 HE22 GLN 21 39.576 14.949 -7.448
169 H ASN 22 HN ASN 22 37.793 12.378 -0.807
170 HA ASN 22 HA ASN 22 35.777 12.501 0.286
171 HB2 ASN 22 HB2 ASN 22 37.281 13.111 2.026
172 HB3 ASN 22 HB1 ASN 22 37.290 14.822 1.499
173 HD21 ASN 22 HD21 ASN 22 36.163 15.959 3.110
174 HD22 ASN 22 HD22 ASN 22 34.576 15.483 3.722
175 H HIS 23 HN HIS 23 35.173 13.095 -2.026
176 HA HIS 23 HA HIS 23 33.683 14.283 -3.366
177 HB2 HIS 23 HB2 HIS 23 32.618 15.466 -0.776
178 HB3 HIS 23 HB1 HIS 23 31.742 15.222 -2.306
179 HD1 HIS 23 HD1 HIS 23 33.585 12.289 -2.301
180 HD2 HIS 23 HD2 HIS 23 30.502 13.613 0.232
181 HE1 HIS 23 HE1 HIS 23 32.527 10.218 -1.245
182 H HIS 24 HN HIS 24 32.688 16.621 -3.713
183 HA HIS 24 HA HIS 24 33.261 18.772 -4.374
184 HB2 HIS 24 HB2 HIS 24 34.548 18.750 -1.615
185 HB3 HIS 24 HB1 HIS 24 34.242 20.208 -2.589
186 HD1 HIS 24 HD1 HIS 24 31.558 20.337 -3.464
187 HD2 HIS 24 HD2 HIS 24 32.409 18.126 0.011
188 HE1 HIS 24 HE1 HIS 24 29.378 20.114 -2.149
Start of MODEL 36
1 H1 PHE 1 HT1 PHE 1 61.402 6.903 -10.151
2 H2 PHE 1 HT2 PHE 1 60.619 6.407 -8.726
3 H3 PHE 1 HT3 PHE 1 59.717 7.034 -10.023
4 HA PHE 1 HA PHE 1 59.935 5.185 -11.295
5 HB2 PHE 1 HB2 PHE 1 62.432 5.123 -11.017
6 HB3 PHE 1 HB1 PHE 1 62.195 4.277 -9.469
7 HD1 PHE 1 HD1 PHE 1 61.286 4.091 -13.119
8 HD2 PHE 1 HD2 PHE 1 61.934 1.915 -9.445
9 HE1 PHE 1 HE1 PHE 1 61.042 1.939 -14.349
10 HE2 PHE 1 HE2 PHE 1 61.692 -0.236 -10.679
11 HZ PHE 1 HZ PHE 1 61.226 -0.225 -13.126
12 H LEU 2 HN LEU 2 58.717 5.947 -8.586
13 HA LEU 2 HA LEU 2 57.289 3.451 -8.229
14 HB2 LEU 2 HB2 LEU 2 59.620 3.263 -6.955
15 HB3 LEU 2 HB1 LEU 2 58.809 4.258 -5.731
16 HG LEU 2 HG LEU 2 57.756 1.606 -6.829
17 HD11 LEU 2 HD11 LEU 2 58.379 0.694 -4.638
18 HD12 LEU 2 HD12 LEU 2 58.977 2.287 -4.118
19 HD13 LEU 2 HD13 LEU 2 59.813 1.404 -5.417
20 HD21 LEU 2 HD21 LEU 2 56.241 1.856 -4.755
21 HD22 LEU 2 HD22 LEU 2 55.882 2.930 -6.126
22 HD23 LEU 2 HD23 LEU 2 56.761 3.558 -4.710
23 H GLY 3 HN GLY 3 55.795 5.210 -8.856
24 HA2 GLY 3 HA1 GLY 3 55.252 7.336 -6.953
25 HA3 GLY 3 HA2 GLY 3 54.258 6.874 -8.348
26 H ALA 4 HN ALA 4 54.915 6.370 -4.936
27 HA ALA 4 HA ALA 4 52.148 5.584 -4.483
28 HB1 ALA 4 HB1 ALA 4 54.341 3.501 -4.269
29 HB2 ALA 4 HB2 ALA 4 52.846 3.421 -5.231
30 HB3 ALA 4 HB3 ALA 4 52.767 3.351 -3.453
31 H LEU 5 HN LEU 5 55.309 4.835 -2.932
32 HA LEU 5 HA LEU 5 54.332 5.691 -0.335
33 HB2 LEU 5 HB2 LEU 5 57.060 4.961 -1.447
34 HB3 LEU 5 HB1 LEU 5 56.870 5.538 0.219
35 HG LEU 5 HG LEU 5 56.876 2.993 -0.119
36 HD11 LEU 5 HD11 LEU 5 55.863 4.290 1.891
37 HD12 LEU 5 HD12 LEU 5 55.352 2.607 1.652
38 HD13 LEU 5 HD13 LEU 5 54.281 3.934 1.162
39 HD21 LEU 5 HD21 LEU 5 54.897 1.914 -0.972
40 HD22 LEU 5 HD22 LEU 5 55.410 3.105 -2.189
41 HD23 LEU 5 HD23 LEU 5 54.033 3.462 -1.119
42 H ILE 6 HN ILE 6 56.237 7.156 -2.939
43 HA ILE 6 HA ILE 6 56.469 9.708 -1.314
44 HB ILE 6 HB ILE 6 58.087 10.406 -3.065
45 HG12 ILE 6 HG12 ILE 6 57.463 7.683 -4.307
46 HG13 ILE 6 HG11 ILE 6 57.081 9.270 -5.013
47 HG21 ILE 6 HG21 ILE 6 59.875 8.936 -2.456
48 HG22 ILE 6 HG22 ILE 6 58.769 7.556 -2.242
49 HG23 ILE 6 HG23 ILE 6 58.745 8.908 -1.083
50 HD11 ILE 6 HD1 ILE 6 59.086 8.630 -6.105
51 HD12 ILE 6 HD2 ILE 6 59.800 7.982 -4.612
52 HD13 ILE 6 HD3 ILE 6 59.640 9.743 -4.831
53 H LYS 7 HN LYS 7 56.798 11.234 -3.905
54 HA LYS 7 HA LYS 7 55.316 12.738 -4.895
55 HB2 LYS 7 HB2 LYS 7 53.724 10.146 -5.171
56 HB3 LYS 7 HB1 LYS 7 53.028 11.706 -5.670
57 HG2 LYS 7 HG2 LYS 7 55.012 12.074 -7.156
58 HG3 LYS 7 HG1 LYS 7 55.607 10.456 -6.715
59 HD2 LYS 7 HD2 LYS 7 53.633 9.402 -7.668
60 HD3 LYS 7 HD1 LYS 7 52.873 10.987 -7.954
61 HE2 LYS 7 HE2 LYS 7 55.529 10.157 -9.193
62 HE3 LYS 7 HE1 LYS 7 53.959 9.939 -10.003
63 HZ1 LYS 7 HZ1 LYS 7 55.202 12.053 -10.524
64 HZ2 LYS 7 HZ2 LYS 7 54.861 12.561 -8.939
65 HZ3 LYS 7 HZ3 LYS 7 53.593 12.249 -10.025
66 H GLY 8 HN GLY 8 55.721 11.922 -2.347
67 HA2 GLY 8 HA1 GLY 8 55.059 11.801 -0.236
68 HA3 GLY 8 HA2 GLY 8 54.462 13.473 -0.563
69 H ALA 9 HN ALA 9 53.646 10.041 -0.511
70 HA ALA 9 HA ALA 9 51.670 8.928 -0.143
71 HB1 ALA 9 HB1 ALA 9 50.642 11.533 1.027
72 HB2 ALA 9 HB2 ALA 9 51.727 10.427 1.901
73 HB3 ALA 9 HB3 ALA 9 50.107 9.879 1.406
74 H ILE 10 HN ILE 10 51.684 9.194 -2.599
75 HA ILE 10 HA ILE 10 50.450 9.421 -4.514
76 HB ILE 10 HB ILE 10 48.341 9.525 -2.384
77 HG12 ILE 10 HG12 ILE 10 49.218 7.497 -3.748
78 HG13 ILE 10 HG11 ILE 10 47.465 7.644 -3.504
79 HG21 ILE 10 HG21 ILE 10 47.396 11.384 -3.507
80 HG22 ILE 10 HG22 ILE 10 46.521 9.979 -4.147
81 HG23 ILE 10 HG23 ILE 10 47.804 10.740 -5.115
82 HD11 ILE 10 HD1 ILE 10 48.788 8.789 -5.993
83 HD12 ILE 10 HD2 ILE 10 47.089 8.338 -5.743
84 HD13 ILE 10 HD3 ILE 10 48.330 7.076 -5.901
85 H HIS 11 HN HIS 11 49.081 12.045 -2.449
86 HA HIS 11 HA HIS 11 50.426 14.055 -4.179
87 HB2 HIS 11 HB2 HIS 11 48.246 13.593 -5.295
88 HB3 HIS 11 HB1 HIS 11 47.405 13.992 -3.777
89 HD1 HIS 11 HD1 HIS 11 47.269 16.467 -3.061
90 HD2 HIS 11 HD2 HIS 11 49.358 15.842 -6.656
91 HE1 HIS 11 HE1 HIS 11 47.653 18.757 -4.126
92 H GLY 12 HN GLY 12 49.570 12.845 -1.248
93 HA2 GLY 12 HA1 GLY 12 50.606 14.308 0.596
94 HA3 GLY 12 HA2 GLY 12 49.454 15.553 0.074
95 H GLY 13 HN GLY 13 48.277 12.350 -0.226
96 HA2 GLY 13 HA1 GLY 13 46.669 11.188 0.964
97 HA3 GLY 13 HA2 GLY 13 47.381 11.870 2.440
98 H ARG 14 HN ARG 14 45.273 12.735 -0.322
99 HA ARG 14 HA ARG 14 43.184 13.685 1.435
100 HB2 ARG 14 HB2 ARG 14 44.813 15.551 1.707
101 HB3 ARG 14 HB1 ARG 14 44.775 15.821 -0.048
102 HG2 ARG 14 HG2 ARG 14 42.093 15.768 1.346
103 HG3 ARG 14 HG1 ARG 14 43.138 17.153 1.717
104 HD2 ARG 14 HD2 ARG 14 42.790 16.400 -1.190
105 HD3 ARG 14 HD1 ARG 14 41.453 17.227 -0.359
106 HE ARG 14 HE ARG 14 42.756 19.186 -0.397
107 HH11 ARG 14 HH11 ARG 14 45.033 18.248 1.226
108 HH12 ARG 14 HH12 ARG 14 46.358 18.315 0.112
109 HH21 ARG 14 HH21 ARG 14 44.333 18.475 -2.699
110 HH22 ARG 14 HH22 ARG 14 45.962 18.445 -2.110
111 H PHE 15 HN PHE 15 44.739 13.856 -1.754
112 HA PHE 15 HA PHE 15 42.503 14.534 -3.338
113 HB2 PHE 15 HB2 PHE 15 44.874 14.314 -4.132
114 HB3 PHE 15 HB1 PHE 15 44.702 12.546 -4.042
115 HD1 PHE 15 HD1 PHE 15 44.057 11.428 -6.022
116 HD2 PHE 15 HD2 PHE 15 42.863 15.540 -5.443
117 HE1 PHE 15 HE1 PHE 15 43.003 11.441 -8.277
118 HE2 PHE 15 HE2 PHE 15 41.810 15.547 -7.700
119 HZ PHE 15 HZ PHE 15 41.839 13.485 -9.097
120 H ILE 16 HN ILE 16 43.563 11.433 -2.021
121 HA ILE 16 HA ILE 16 40.816 10.349 -2.387
122 HB ILE 16 HB ILE 16 41.864 8.126 -3.145
123 HG12 ILE 16 HG12 ILE 16 44.160 10.004 -3.887
124 HG13 ILE 16 HG11 ILE 16 44.215 8.802 -2.576
125 HG21 ILE 16 HG21 ILE 16 41.800 8.754 -5.502
126 HG22 ILE 16 HG22 ILE 16 42.112 10.457 -5.095
127 HG23 ILE 16 HG23 ILE 16 40.571 9.701 -4.634
128 HD11 ILE 16 HD1 ILE 16 43.536 7.084 -4.458
129 HD12 ILE 16 HD2 ILE 16 45.221 7.648 -4.373
130 HD13 ILE 16 HD3 ILE 16 44.112 8.347 -5.574
131 H HIS 17 HN HIS 17 41.563 11.277 -0.130
132 HA HIS 17 HA HIS 17 42.055 8.870 1.541
133 HB2 HIS 17 HB2 HIS 17 44.303 10.012 1.134
134 HB3 HIS 17 HB1 HIS 17 43.641 11.434 1.973
135 HD1 HIS 17 HD1 HIS 17 42.266 8.325 3.350
136 HD2 HIS 17 HD2 HIS 17 45.681 10.689 4.012
137 HE1 HIS 17 HE1 HIS 17 43.261 7.614 5.592
138 H GLY 18 HN GLY 18 40.882 12.078 0.888
139 HA2 GLY 18 HA1 GLY 18 39.979 12.932 3.428
140 HA3 GLY 18 HA2 GLY 18 39.122 13.226 1.884
141 H MET 19 HN MET 19 38.385 11.049 0.961
142 HA MET 19 HA MET 19 37.308 9.082 2.591
143 HB2 MET 19 HB2 MET 19 35.918 11.140 3.396
144 HB3 MET 19 HB1 MET 19 35.115 10.975 1.823
145 HG2 MET 19 HG2 MET 19 34.352 8.740 2.368
146 HG3 MET 19 HG1 MET 19 35.365 8.687 3.830
147 HE1 MET 19 HE1 MET 19 32.086 8.794 5.656
148 HE2 MET 19 HE2 MET 19 33.819 8.433 5.842
149 HE3 MET 19 HE3 MET 19 32.912 7.756 4.469
150 H ILE 20 HN ILE 20 38.496 10.058 0.008
151 HA ILE 20 HA ILE 20 38.309 9.470 -2.220
152 HB ILE 20 HB ILE 20 36.545 7.246 -1.061
153 HG12 ILE 20 HG12 ILE 20 38.420 5.820 -1.725
154 HG13 ILE 20 HG11 ILE 20 39.243 7.203 -2.483
155 HG21 ILE 20 HG21 ILE 20 35.585 7.565 -3.214
156 HG22 ILE 20 HG22 ILE 20 36.787 6.277 -3.457
157 HG23 ILE 20 HG23 ILE 20 37.158 7.947 -3.953
158 HD11 ILE 20 HD1 ILE 20 39.985 6.500 -0.080
159 HD12 ILE 20 HD2 ILE 20 38.473 7.268 0.458
160 HD13 ILE 20 HD3 ILE 20 39.708 8.228 -0.396
161 H GLN 21 HN GLN 21 36.063 10.602 -0.087
162 HA GLN 21 HA GLN 21 34.314 11.655 -2.333
163 HB2 GLN 21 HB2 GLN 21 33.153 9.750 -1.240
164 HB3 GLN 21 HB1 GLN 21 33.312 10.572 0.331
165 HG2 GLN 21 HG2 GLN 21 31.896 12.380 -0.355
166 HG3 GLN 21 HG1 GLN 21 31.968 11.887 -2.065
167 HE21 GLN 21 HE21 GLN 21 31.196 9.414 -2.359
168 HE22 GLN 21 HE22 GLN 21 29.708 9.023 -1.490
169 H ASN 22 HN ASN 22 36.187 12.217 0.572
170 HA ASN 22 HA ASN 22 34.804 14.871 0.957
171 HB2 ASN 22 HB2 ASN 22 35.194 13.352 2.954
172 HB3 ASN 22 HB1 ASN 22 36.937 13.590 2.700
173 HD21 ASN 22 HD21 ASN 22 37.762 15.890 2.786
174 HD22 ASN 22 HD22 ASN 22 36.883 17.051 3.787
175 H HIS 23 HN HIS 23 37.643 13.229 -0.191
176 HA HIS 23 HA HIS 23 39.762 14.931 -0.077
177 HB2 HIS 23 HB2 HIS 23 40.320 14.347 -2.421
178 HB3 HIS 23 HB1 HIS 23 39.728 12.935 -1.510
179 HD1 HIS 23 HD1 HIS 23 39.255 14.696 -4.638
180 HD2 HIS 23 HD2 HIS 23 36.751 12.592 -1.999
181 HE1 HIS 23 HE1 HIS 23 37.127 14.103 -5.921
182 H HIS 24 HN HIS 24 39.433 17.110 0.242
183 HA HIS 24 HA HIS 24 39.034 19.318 -0.346
184 HB2 HIS 24 HB2 HIS 24 40.661 18.692 -2.150
185 HB3 HIS 24 HB1 HIS 24 39.282 18.297 -3.202
186 HD1 HIS 24 HD1 HIS 24 40.861 21.230 -1.329
187 HD2 HIS 24 HD2 HIS 24 38.113 20.511 -4.430
188 HE1 HIS 24 HE1 HIS 24 40.251 23.492 -2.347
Start of MODEL 37
1 H1 PHE 1 HT1 PHE 1 62.678 8.492 0.784
2 H2 PHE 1 HT2 PHE 1 63.444 7.173 1.532
3 H3 PHE 1 HT3 PHE 1 61.770 7.135 1.238
4 HA PHE 1 HA PHE 1 62.507 7.501 -1.203
5 HB2 PHE 1 HB2 PHE 1 64.904 6.254 0.193
6 HB3 PHE 1 HB1 PHE 1 64.616 6.108 -1.558
7 HD1 PHE 1 HD1 PHE 1 65.173 7.899 -3.039
8 HD2 PHE 1 HD2 PHE 1 65.053 8.597 1.220
9 HE1 PHE 1 HE1 PHE 1 66.169 10.157 -3.379
10 HE2 PHE 1 HE2 PHE 1 66.047 10.855 0.877
11 HZ PHE 1 HZ PHE 1 66.620 11.629 -1.421
12 H LEU 2 HN LEU 2 60.561 6.237 0.276
13 HA LEU 2 HA LEU 2 60.798 3.422 0.512
14 HB2 LEU 2 HB2 LEU 2 58.886 4.998 1.268
15 HB3 LEU 2 HB1 LEU 2 58.269 4.842 -0.390
16 HG LEU 2 HG LEU 2 58.550 2.220 0.067
17 HD11 LEU 2 HD11 LEU 2 58.283 3.384 2.880
18 HD12 LEU 2 HD12 LEU 2 59.640 2.412 2.265
19 HD13 LEU 2 HD13 LEU 2 58.034 1.675 2.457
20 HD21 LEU 2 HD21 LEU 2 56.217 2.186 1.015
21 HD22 LEU 2 HD22 LEU 2 56.394 3.264 -0.390
22 HD23 LEU 2 HD23 LEU 2 56.332 3.947 1.253
23 H GLY 3 HN GLY 3 60.633 5.457 -2.280
24 HA2 GLY 3 HA1 GLY 3 61.003 4.839 -4.501
25 HA3 GLY 3 HA2 GLY 3 60.965 3.128 -4.031
26 H ALA 4 HN ALA 4 58.283 4.591 -2.697
27 HA ALA 4 HA ALA 4 56.571 4.717 -5.033
28 HB1 ALA 4 HB1 ALA 4 55.345 2.696 -4.824
29 HB2 ALA 4 HB2 ALA 4 56.115 2.295 -3.269
30 HB3 ALA 4 HB3 ALA 4 57.058 2.219 -4.776
31 H LEU 5 HN LEU 5 54.289 5.020 -4.463
32 HA LEU 5 HA LEU 5 52.713 6.176 -3.219
33 HB2 LEU 5 HB2 LEU 5 53.996 4.385 -1.137
34 HB3 LEU 5 HB1 LEU 5 52.679 5.488 -0.694
35 HG LEU 5 HG LEU 5 51.978 3.111 -1.289
36 HD11 LEU 5 HD11 LEU 5 50.514 5.284 -1.501
37 HD12 LEU 5 HD12 LEU 5 49.944 3.787 -2.266
38 HD13 LEU 5 HD13 LEU 5 50.701 5.050 -3.254
39 HD21 LEU 5 HD21 LEU 5 52.571 3.982 -4.151
40 HD22 LEU 5 HD22 LEU 5 51.989 2.397 -3.593
41 HD23 LEU 5 HD23 LEU 5 53.640 2.928 -3.197
42 H ILE 6 HN ILE 6 55.716 7.095 -3.349
43 HA ILE 6 HA ILE 6 55.869 8.833 -0.932
44 HB ILE 6 HB ILE 6 57.940 9.701 -1.978
45 HG12 ILE 6 HG12 ILE 6 57.073 8.034 -4.389
46 HG13 ILE 6 HG11 ILE 6 57.214 9.806 -4.324
47 HG21 ILE 6 HG21 ILE 6 59.235 7.687 -1.909
48 HG22 ILE 6 HG22 ILE 6 57.866 6.698 -2.472
49 HG23 ILE 6 HG23 ILE 6 57.847 7.399 -0.837
50 HD11 ILE 6 HD1 ILE 6 59.231 9.112 -5.363
51 HD12 ILE 6 HD2 ILE 6 59.427 7.727 -4.263
52 HD13 ILE 6 HD3 ILE 6 59.703 9.384 -3.669
53 H LYS 7 HN LYS 7 57.009 11.138 -2.438
54 HA LYS 7 HA LYS 7 56.056 13.230 -2.847
55 HB2 LYS 7 HB2 LYS 7 54.242 11.458 -4.545
56 HB3 LYS 7 HB1 LYS 7 53.903 13.195 -4.362
57 HG2 LYS 7 HG2 LYS 7 56.172 13.729 -5.209
58 HG3 LYS 7 HG1 LYS 7 56.507 11.991 -5.400
59 HD2 LYS 7 HD2 LYS 7 54.636 11.792 -7.001
60 HD3 LYS 7 HD1 LYS 7 54.269 13.522 -6.798
61 HE2 LYS 7 HE2 LYS 7 55.646 13.049 -8.844
62 HE3 LYS 7 HE1 LYS 7 56.460 14.138 -7.696
63 HZ1 LYS 7 HZ1 LYS 7 58.047 12.636 -7.299
64 HZ2 LYS 7 HZ2 LYS 7 57.523 11.871 -8.722
65 HZ3 LYS 7 HZ3 LYS 7 56.960 11.339 -7.210
66 H GLY 8 HN GLY 8 55.681 11.346 -0.942
67 HA2 GLY 8 HA1 GLY 8 54.523 10.529 0.753
68 HA3 GLY 8 HA2 GLY 8 54.218 12.272 1.118
69 H ALA 9 HN ALA 9 52.977 9.282 -0.130
70 HA ALA 9 HA ALA 9 50.879 8.562 -0.718
71 HB1 ALA 9 HB1 ALA 9 50.350 8.917 1.589
72 HB2 ALA 9 HB2 ALA 9 48.999 9.595 0.648
73 HB3 ALA 9 HB3 ALA 9 50.222 10.676 1.357
74 H ILE 10 HN ILE 10 52.111 10.435 -2.425
75 HA ILE 10 HA ILE 10 51.669 12.142 -3.961
76 HB ILE 10 HB ILE 10 49.378 11.512 -5.258
77 HG12 ILE 10 HG12 ILE 10 50.010 9.004 -3.620
78 HG13 ILE 10 HG11 ILE 10 48.573 10.025 -3.418
79 HG21 ILE 10 HG21 ILE 10 51.757 11.162 -6.058
80 HG22 ILE 10 HG22 ILE 10 50.628 9.895 -6.576
81 HG23 ILE 10 HG23 ILE 10 51.748 9.588 -5.229
82 HD11 ILE 10 HD1 ILE 10 47.755 8.325 -4.821
83 HD12 ILE 10 HD2 ILE 10 49.287 8.180 -5.710
84 HD13 ILE 10 HD3 ILE 10 48.215 9.573 -6.003
85 H HIS 11 HN HIS 11 48.212 11.695 -3.643
86 HA HIS 11 HA HIS 11 47.642 14.422 -3.425
87 HB2 HIS 11 HB2 HIS 11 46.029 12.170 -2.173
88 HB3 HIS 11 HB1 HIS 11 45.436 13.770 -2.677
89 HD1 HIS 11 HD1 HIS 11 46.489 14.198 -5.420
90 HD2 HIS 11 HD2 HIS 11 45.137 10.431 -4.127
91 HE1 HIS 11 HE1 HIS 11 45.945 12.827 -7.506
92 H GLY 12 HN GLY 12 49.298 12.533 -1.102
93 HA2 GLY 12 HA1 GLY 12 48.166 13.625 1.301
94 HA3 GLY 12 HA2 GLY 12 49.816 13.001 1.117
95 H GLY 13 HN GLY 13 49.532 15.182 -1.272
96 HA2 GLY 13 HA1 GLY 13 49.771 17.672 0.207
97 HA3 GLY 13 HA2 GLY 13 51.343 17.046 -0.330
98 H ARG 14 HN ARG 14 49.577 15.767 -2.638
99 HA ARG 14 HA ARG 14 49.983 18.109 -4.448
100 HB2 ARG 14 HB2 ARG 14 49.616 15.123 -4.811
101 HB3 ARG 14 HB1 ARG 14 49.342 16.223 -6.181
102 HG2 ARG 14 HG2 ARG 14 51.699 15.308 -6.041
103 HG3 ARG 14 HG1 ARG 14 51.605 17.083 -6.036
104 HD2 ARG 14 HD2 ARG 14 52.012 17.197 -3.676
105 HD3 ARG 14 HD1 ARG 14 51.726 15.454 -3.469
106 HE ARG 14 HE ARG 14 53.880 15.647 -5.254
107 HH11 ARG 14 HH11 ARG 14 53.073 15.972 -1.953
108 HH12 ARG 14 HH12 ARG 14 54.701 16.246 -1.429
109 HH21 ARG 14 HH21 ARG 14 56.005 16.317 -4.641
110 HH22 ARG 14 HH22 ARG 14 56.361 16.440 -2.951
111 H PHE 15 HN PHE 15 47.436 16.500 -2.739
112 HA PHE 15 HA PHE 15 45.246 16.661 -4.432
113 HB2 PHE 15 HB2 PHE 15 45.376 16.011 -1.918
114 HB3 PHE 15 HB1 PHE 15 45.081 17.732 -1.593
115 HD1 PHE 15 HD1 PHE 15 43.738 14.968 -3.811
116 HD2 PHE 15 HD2 PHE 15 42.821 18.396 -1.345
117 HE1 PHE 15 HE1 PHE 15 41.310 14.604 -4.203
118 HE2 PHE 15 HE2 PHE 15 40.393 18.027 -1.743
119 HZ PHE 15 HZ PHE 15 39.636 16.125 -3.161
120 H ILE 16 HN ILE 16 46.492 19.383 -2.410
121 HA ILE 16 HA ILE 16 45.746 21.285 -4.531
122 HB ILE 16 HB ILE 16 44.336 22.693 -2.981
123 HG12 ILE 16 HG12 ILE 16 44.416 20.129 -1.320
124 HG13 ILE 16 HG11 ILE 16 45.001 21.729 -0.825
125 HG21 ILE 16 HG21 ILE 16 43.430 21.057 -4.760
126 HG22 ILE 16 HG22 ILE 16 42.301 21.540 -3.479
127 HG23 ILE 16 HG23 ILE 16 43.090 19.947 -3.412
128 HD11 ILE 16 HD1 ILE 16 42.872 21.554 0.207
129 HD12 ILE 16 HD2 ILE 16 42.137 20.813 -1.234
130 HD13 ILE 16 HD3 ILE 16 42.565 22.541 -1.241
131 H HIS 17 HN HIS 17 48.234 20.800 -3.793
132 HA HIS 17 HA HIS 17 49.074 23.363 -2.699
133 HB2 HIS 17 HB2 HIS 17 48.558 22.206 -0.571
134 HB3 HIS 17 HB1 HIS 17 49.641 20.874 -1.036
135 HD1 HIS 17 HD1 HIS 17 51.846 21.077 0.095
136 HD2 HIS 17 HD2 HIS 17 50.210 24.838 -0.832
137 HE1 HIS 17 HE1 HIS 17 53.538 22.846 0.830
138 H GLY 18 HN GLY 18 49.367 20.591 -4.452
139 HA2 GLY 18 HA1 GLY 18 52.122 21.307 -5.313
140 HA3 GLY 18 HA2 GLY 18 51.830 19.639 -4.768
141 H MET 19 HN MET 19 49.714 21.881 -6.496
142 HA MET 19 HA MET 19 49.986 20.785 -9.143
143 HB2 MET 19 HB2 MET 19 49.053 18.870 -8.039
144 HB3 MET 19 HB1 MET 19 47.726 19.865 -7.458
145 HG2 MET 19 HG2 MET 19 46.919 20.237 -9.719
146 HG3 MET 19 HG1 MET 19 48.369 19.471 -10.405
147 HE1 MET 19 HE1 MET 19 45.596 18.967 -11.232
148 HE2 MET 19 HE2 MET 19 45.164 17.243 -11.122
149 HE3 MET 19 HE3 MET 19 46.686 17.732 -11.905
150 H ILE 20 HN ILE 20 47.400 21.791 -6.830
151 HA ILE 20 HA ILE 20 46.321 23.727 -8.763
152 HB ILE 20 HB ILE 20 45.995 23.309 -5.746
153 HG12 ILE 20 HG12 ILE 20 43.702 22.794 -6.333
154 HG13 ILE 20 HG11 ILE 20 43.930 23.393 -7.990
155 HG21 ILE 20 HG21 ILE 20 45.965 25.707 -5.945
156 HG22 ILE 20 HG22 ILE 20 44.261 25.199 -5.917
157 HG23 ILE 20 HG23 ILE 20 45.035 25.639 -7.459
158 HD11 ILE 20 HD1 ILE 20 43.991 20.828 -7.662
159 HD12 ILE 20 HD2 ILE 20 45.573 21.083 -6.886
160 HD13 ILE 20 HD3 ILE 20 45.329 21.555 -8.583
161 H GLN 21 HN GLN 21 49.034 23.141 -7.036
162 HA GLN 21 HA GLN 21 50.023 25.951 -7.148
163 HB2 GLN 21 HB2 GLN 21 49.760 24.991 -4.801
164 HB3 GLN 21 HB1 GLN 21 50.953 23.752 -5.258
165 HG2 GLN 21 HG2 GLN 21 52.620 25.481 -5.750
166 HG3 GLN 21 HG1 GLN 21 51.429 26.760 -5.408
167 HE21 GLN 21 HE21 GLN 21 50.905 27.242 -3.192
168 HE22 GLN 21 HE22 GLN 21 51.790 26.509 -1.851
169 H ASN 22 HN ASN 22 50.364 22.406 -8.001
170 HA ASN 22 HA ASN 22 53.034 23.237 -9.290
171 HB2 ASN 22 HB2 ASN 22 52.986 21.347 -7.491
172 HB3 ASN 22 HB1 ASN 22 52.251 20.360 -8.770
173 HD21 ASN 22 HD21 ASN 22 55.244 21.689 -7.567
174 HD22 ASN 22 HD22 ASN 22 56.258 21.132 -8.902
175 H HIS 23 HN HIS 23 50.146 23.448 -10.278
176 HA HIS 23 HA HIS 23 49.028 23.076 -12.279
177 HB2 HIS 23 HB2 HIS 23 51.125 24.174 -13.108
178 HB3 HIS 23 HB1 HIS 23 51.823 22.558 -13.365
179 HD1 HIS 23 HD1 HIS 23 48.768 24.631 -14.428
180 HD2 HIS 23 HD2 HIS 23 51.123 21.426 -15.798
181 HE1 HIS 23 HE1 HIS 23 47.964 24.046 -16.782
182 H HIS 24 HN HIS 24 48.725 21.488 -14.171
183 HA HIS 24 HA HIS 24 48.530 18.814 -12.988
184 HB2 HIS 24 HB2 HIS 24 47.836 19.909 -15.741
185 HB3 HIS 24 HB1 HIS 24 47.504 18.243 -15.210
186 HD1 HIS 24 HD1 HIS 24 46.896 21.794 -13.830
187 HD2 HIS 24 HD2 HIS 24 45.027 18.032 -14.017
188 HE1 HIS 24 HE1 HIS 24 44.588 22.036 -12.762
Start of MODEL 38
1 H1 PHE 1 HT1 PHE 1 56.620 11.916 5.038
2 H2 PHE 1 HT2 PHE 1 57.017 13.457 5.636
3 H3 PHE 1 HT3 PHE 1 58.245 12.386 5.154
4 HA PHE 1 HA PHE 1 56.543 14.112 3.592
5 HB2 PHE 1 HB2 PHE 1 59.031 14.375 3.928
6 HB3 PHE 1 HB1 PHE 1 59.258 12.857 3.028
7 HD1 PHE 1 HD1 PHE 1 57.829 16.315 2.795
8 HD2 PHE 1 HD2 PHE 1 59.149 12.819 0.632
9 HE1 PHE 1 HE1 PHE 1 57.648 17.571 0.653
10 HE2 PHE 1 HE2 PHE 1 58.967 14.077 -1.511
11 HZ PHE 1 HZ PHE 1 58.282 16.473 -1.493
12 H LEU 2 HN LEU 2 56.427 10.901 4.163
13 HA LEU 2 HA LEU 2 55.093 10.366 1.634
14 HB2 LEU 2 HB2 LEU 2 56.551 8.728 0.700
15 HB3 LEU 2 HB1 LEU 2 57.570 10.138 1.058
16 HG LEU 2 HG LEU 2 57.347 7.554 2.667
17 HD11 LEU 2 HD11 LEU 2 58.812 7.500 0.678
18 HD12 LEU 2 HD12 LEU 2 59.771 7.431 2.175
19 HD13 LEU 2 HD13 LEU 2 59.662 8.952 1.258
20 HD21 LEU 2 HD21 LEU 2 57.498 9.275 4.334
21 HD22 LEU 2 HD22 LEU 2 58.630 10.235 3.349
22 HD23 LEU 2 HD23 LEU 2 59.167 8.711 4.095
23 H GLY 3 HN GLY 3 54.976 7.681 1.553
24 HA2 GLY 3 HA1 GLY 3 54.730 6.438 4.142
25 HA3 GLY 3 HA2 GLY 3 53.151 7.019 3.580
26 H ALA 4 HN ALA 4 52.873 6.511 1.065
27 HA ALA 4 HA ALA 4 52.843 3.589 0.942
28 HB1 ALA 4 HB1 ALA 4 51.805 4.006 -1.302
29 HB2 ALA 4 HB2 ALA 4 52.048 5.749 -1.038
30 HB3 ALA 4 HB3 ALA 4 50.974 4.826 0.042
31 H LEU 5 HN LEU 5 54.400 6.206 -0.967
32 HA LEU 5 HA LEU 5 56.771 4.562 -1.382
33 HB2 LEU 5 HB2 LEU 5 54.873 3.784 -3.074
34 HB3 LEU 5 HB1 LEU 5 55.331 5.253 -3.960
35 HG LEU 5 HG LEU 5 57.184 2.959 -3.158
36 HD11 LEU 5 HD11 LEU 5 55.587 2.593 -5.091
37 HD12 LEU 5 HD12 LEU 5 57.308 2.514 -5.540
38 HD13 LEU 5 HD13 LEU 5 56.355 3.971 -5.911
39 HD21 LEU 5 HD21 LEU 5 57.700 5.668 -4.451
40 HD22 LEU 5 HD22 LEU 5 58.811 4.294 -4.669
41 HD23 LEU 5 HD23 LEU 5 58.512 4.944 -3.042
42 H ILE 6 HN ILE 6 55.063 7.064 -3.327
43 HA ILE 6 HA ILE 6 56.644 9.260 -2.274
44 HB ILE 6 HB ILE 6 58.328 7.842 -3.758
45 HG12 ILE 6 HG12 ILE 6 59.123 10.205 -4.818
46 HG13 ILE 6 HG11 ILE 6 57.863 10.840 -3.738
47 HG21 ILE 6 HG21 ILE 6 56.419 7.944 -5.693
48 HG22 ILE 6 HG22 ILE 6 58.153 7.836 -6.064
49 HG23 ILE 6 HG23 ILE 6 57.332 9.406 -6.135
50 HD11 ILE 6 HD1 ILE 6 58.937 9.589 -1.835
51 HD12 ILE 6 HD2 ILE 6 59.991 10.830 -2.551
52 HD13 ILE 6 HD3 ILE 6 60.247 9.114 -2.942
53 H LYS 7 HN LYS 7 56.676 10.631 -4.991
54 HA LYS 7 HA LYS 7 55.176 12.204 -5.831
55 HB2 LYS 7 HB2 LYS 7 54.053 10.064 -6.810
56 HB3 LYS 7 HB1 LYS 7 52.955 10.146 -5.413
57 HG2 LYS 7 HG2 LYS 7 52.164 12.342 -6.076
58 HG3 LYS 7 HG1 LYS 7 53.394 12.452 -7.360
59 HD2 LYS 7 HD2 LYS 7 52.373 10.577 -8.556
60 HD3 LYS 7 HD1 LYS 7 51.195 10.343 -7.242
61 HE2 LYS 7 HE2 LYS 7 50.200 11.618 -9.125
62 HE3 LYS 7 HE1 LYS 7 50.282 12.606 -7.647
63 HZ1 LYS 7 HZ1 LYS 7 52.688 12.850 -9.119
64 HZ2 LYS 7 HZ2 LYS 7 51.570 14.056 -8.692
65 HZ3 LYS 7 HZ3 LYS 7 51.374 13.184 -10.136
66 H GLY 8 HN GLY 8 55.962 11.502 -3.338
67 HA2 GLY 8 HA1 GLY 8 55.681 11.564 -1.137
68 HA3 GLY 8 HA2 GLY 8 55.215 13.274 -1.481
69 H ALA 9 HN ALA 9 54.055 9.968 -1.041
70 HA ALA 9 HA ALA 9 51.995 9.123 -0.432
71 HB1 ALA 9 HB1 ALA 9 50.929 10.319 1.487
72 HB2 ALA 9 HB2 ALA 9 52.074 11.658 1.236
73 HB3 ALA 9 HB3 ALA 9 52.675 10.048 1.701
74 H ILE 10 HN ILE 10 51.826 10.325 -2.873
75 HA ILE 10 HA ILE 10 50.456 11.559 -4.308
76 HB ILE 10 HB ILE 10 48.021 10.792 -4.148
77 HG12 ILE 10 HG12 ILE 10 49.125 9.061 -1.883
78 HG13 ILE 10 HG11 ILE 10 48.066 10.464 -1.631
79 HG21 ILE 10 HG21 ILE 10 48.543 8.546 -4.884
80 HG22 ILE 10 HG22 ILE 10 50.083 8.554 -3.993
81 HG23 ILE 10 HG23 ILE 10 49.870 9.600 -5.417
82 HD11 ILE 10 HD1 ILE 10 47.425 7.814 -2.958
83 HD12 ILE 10 HD2 ILE 10 46.452 9.261 -3.315
84 HD13 ILE 10 HD3 ILE 10 46.557 8.647 -1.650
85 H HIS 11 HN HIS 11 51.146 13.555 -3.058
86 HA HIS 11 HA HIS 11 50.577 15.613 -2.150
87 HB2 HIS 11 HB2 HIS 11 47.848 14.884 -3.289
88 HB3 HIS 11 HB1 HIS 11 48.375 16.516 -2.811
89 HD1 HIS 11 HD1 HIS 11 50.648 14.029 -4.569
90 HD2 HIS 11 HD2 HIS 11 48.441 17.487 -5.483
91 HE1 HIS 11 HE1 HIS 11 51.397 14.820 -6.880
92 H GLY 12 HN GLY 12 50.152 13.060 -0.581
93 HA2 GLY 12 HA1 GLY 12 49.323 12.463 1.495
94 HA3 GLY 12 HA2 GLY 12 49.292 14.204 1.840
95 H GLY 13 HN GLY 13 47.439 11.817 -0.112
96 HA2 GLY 13 HA1 GLY 13 45.154 11.500 -0.295
97 HA3 GLY 13 HA2 GLY 13 45.028 12.141 1.356
98 H ARG 14 HN ARG 14 45.480 13.178 -2.034
99 HA ARG 14 HA ARG 14 43.290 15.038 -1.858
100 HB2 ARG 14 HB2 ARG 14 44.847 16.374 -0.524
101 HB3 ARG 14 HB1 ARG 14 46.104 16.203 -1.767
102 HG2 ARG 14 HG2 ARG 14 44.917 18.414 -1.863
103 HG3 ARG 14 HG1 ARG 14 44.769 17.487 -3.369
104 HD2 ARG 14 HD2 ARG 14 42.500 16.965 -2.972
105 HD3 ARG 14 HD1 ARG 14 42.639 17.241 -1.219
106 HE ARG 14 HE ARG 14 42.160 19.509 -1.626
107 HH11 ARG 14 HH11 ARG 14 40.613 19.880 -3.707
108 HH12 ARG 14 HH12 ARG 14 41.556 20.413 -5.058
109 HH21 ARG 14 HH21 ARG 14 44.572 19.375 -3.697
110 HH22 ARG 14 HH22 ARG 14 43.799 20.129 -5.052
111 H PHE 15 HN PHE 15 46.161 13.750 -3.398
112 HA PHE 15 HA PHE 15 46.113 14.959 -5.915
113 HB2 PHE 15 HB2 PHE 15 47.710 13.178 -5.123
114 HB3 PHE 15 HB1 PHE 15 46.437 11.974 -5.437
115 HD1 PHE 15 HD1 PHE 15 46.312 10.996 -7.591
116 HD2 PHE 15 HD2 PHE 15 48.210 14.847 -7.122
117 HE1 PHE 15 HE1 PHE 15 46.955 10.974 -9.996
118 HE2 PHE 15 HE2 PHE 15 48.852 14.821 -9.529
119 HZ PHE 15 HZ PHE 15 48.177 12.909 -10.978
120 H ILE 16 HN ILE 16 44.121 12.205 -4.765
121 HA ILE 16 HA ILE 16 42.547 12.292 -7.288
122 HB ILE 16 HB ILE 16 42.068 10.512 -4.863
123 HG12 ILE 16 HG12 ILE 16 44.450 10.344 -5.889
124 HG13 ILE 16 HG11 ILE 16 43.511 8.849 -5.752
125 HG21 ILE 16 HG21 ILE 16 41.069 9.035 -6.692
126 HG22 ILE 16 HG22 ILE 16 41.216 10.431 -7.782
127 HG23 ILE 16 HG23 ILE 16 40.183 10.535 -6.338
128 HD11 ILE 16 HD1 ILE 16 44.715 9.179 -7.972
129 HD12 ILE 16 HD2 ILE 16 43.597 10.517 -8.305
130 HD13 ILE 16 HD3 ILE 16 42.971 8.866 -8.104
131 H HIS 17 HN HIS 17 41.387 11.866 -3.893
132 HA HIS 17 HA HIS 17 39.883 14.381 -4.003
133 HB2 HIS 17 HB2 HIS 17 38.457 11.719 -4.396
134 HB3 HIS 17 HB1 HIS 17 37.631 13.175 -3.797
135 HD1 HIS 17 HD1 HIS 17 38.592 15.412 -5.492
136 HD2 HIS 17 HD2 HIS 17 37.827 11.593 -7.077
137 HE1 HIS 17 HE1 HIS 17 38.245 15.688 -8.008
138 H GLY 18 HN GLY 18 41.806 13.309 -2.212
139 HA2 GLY 18 HA1 GLY 18 41.940 13.429 0.137
140 HA3 GLY 18 HA2 GLY 18 40.191 13.328 0.251
141 H MET 19 HN MET 19 43.046 11.521 -0.611
142 HA MET 19 HA MET 19 43.341 9.258 -0.525
143 HB2 MET 19 HB2 MET 19 43.619 10.306 1.847
144 HB3 MET 19 HB1 MET 19 42.231 9.264 2.216
145 HG2 MET 19 HG2 MET 19 44.204 7.998 2.764
146 HG3 MET 19 HG1 MET 19 43.596 7.321 1.238
147 HE1 MET 19 HE1 MET 19 45.620 6.384 -0.088
148 HE2 MET 19 HE2 MET 19 46.023 6.320 1.645
149 HE3 MET 19 HE3 MET 19 47.244 6.857 0.467
150 H ILE 20 HN ILE 20 40.500 10.066 -1.270
151 HA ILE 20 HA ILE 20 38.522 8.913 -1.639
152 HB ILE 20 HB ILE 20 40.408 6.504 -1.445
153 HG12 ILE 20 HG12 ILE 20 40.064 6.404 -3.867
154 HG13 ILE 20 HG11 ILE 20 38.886 7.734 -3.785
155 HG21 ILE 20 HG21 ILE 20 38.380 5.291 -2.527
156 HG22 ILE 20 HG22 ILE 20 37.403 6.628 -1.873
157 HG23 ILE 20 HG23 ILE 20 38.327 5.577 -0.773
158 HD11 ILE 20 HD1 ILE 20 41.356 8.284 -4.478
159 HD12 ILE 20 HD2 ILE 20 41.714 8.122 -2.745
160 HD13 ILE 20 HD3 ILE 20 40.548 9.348 -3.303
161 H GLN 21 HN GLN 21 40.452 8.924 1.072
162 HA GLN 21 HA GLN 21 38.173 7.958 2.828
163 HB2 GLN 21 HB2 GLN 21 41.141 7.397 3.202
164 HB3 GLN 21 HB1 GLN 21 39.855 6.993 4.363
165 HG2 GLN 21 HG2 GLN 21 39.920 5.990 1.485
166 HG3 GLN 21 HG1 GLN 21 40.539 5.066 2.874
167 HE21 GLN 21 HE21 GLN 21 38.102 4.636 0.998
168 HE22 GLN 21 HE22 GLN 21 36.759 4.429 2.127
169 H ASN 22 HN ASN 22 40.748 10.341 2.163
170 HA ASN 22 HA ASN 22 40.408 11.515 4.879
171 HB2 ASN 22 HB2 ASN 22 41.997 12.348 2.413
172 HB3 ASN 22 HB1 ASN 22 41.890 13.331 3.889
173 HD21 ASN 22 HD21 ASN 22 41.703 9.941 4.545
174 HD22 ASN 22 HD22 ASN 22 43.384 9.724 5.042
175 H HIS 23 HN HIS 23 39.545 11.829 1.504
176 HA HIS 23 HA HIS 23 37.852 13.085 0.483
177 HB2 HIS 23 HB2 HIS 23 36.524 11.935 2.350
178 HB3 HIS 23 HB1 HIS 23 36.643 13.467 3.247
179 HD1 HIS 23 HD1 HIS 23 36.025 15.651 1.428
180 HD2 HIS 23 HD2 HIS 23 34.213 11.899 0.860
181 HE1 HIS 23 HE1 HIS 23 33.895 16.031 0.069
182 H HIS 24 HN HIS 24 37.251 15.206 -0.037
183 HA HIS 24 HA HIS 24 39.112 17.224 0.816
184 HB2 HIS 24 HB2 HIS 24 37.971 17.200 -1.400
185 HB3 HIS 24 HB1 HIS 24 36.433 17.573 -0.586
186 HD1 HIS 24 HD1 HIS 24 35.938 19.990 -0.082
187 HD2 HIS 24 HD2 HIS 24 39.981 19.337 -1.045
188 HE1 HIS 24 HE1 HIS 24 37.066 22.277 -0.223
Start of MODEL 39
1 H1 PHE 1 HT1 PHE 1 51.800 2.798 -11.179
2 H2 PHE 1 HT2 PHE 1 51.784 2.670 -9.485
3 H3 PHE 1 HT3 PHE 1 51.298 1.355 -10.445
4 HA PHE 1 HA PHE 1 53.375 0.723 -9.857
5 HB2 PHE 1 HB2 PHE 1 53.856 2.393 -12.355
6 HB3 PHE 1 HB1 PHE 1 54.749 0.941 -11.843
7 HD1 PHE 1 HD1 PHE 1 51.519 2.223 -13.161
8 HD2 PHE 1 HD2 PHE 1 53.793 -1.288 -12.092
9 HE1 PHE 1 HE1 PHE 1 49.853 0.786 -14.331
10 HE2 PHE 1 HE2 PHE 1 52.125 -2.723 -13.262
11 HZ PHE 1 HZ PHE 1 50.160 -1.686 -14.387
12 H LEU 2 HN LEU 2 52.887 2.995 -8.263
13 HA LEU 2 HA LEU 2 54.957 4.980 -8.576
14 HB2 LEU 2 HB2 LEU 2 53.205 4.090 -6.266
15 HB3 LEU 2 HB1 LEU 2 54.440 5.344 -6.048
16 HG LEU 2 HG LEU 2 52.066 6.157 -6.576
17 HD11 LEU 2 HD11 LEU 2 52.823 8.031 -7.801
18 HD12 LEU 2 HD12 LEU 2 54.031 7.093 -8.700
19 HD13 LEU 2 HD13 LEU 2 54.288 7.455 -6.980
20 HD21 LEU 2 HD21 LEU 2 51.669 4.363 -8.329
21 HD22 LEU 2 HD22 LEU 2 52.751 5.269 -9.412
22 HD23 LEU 2 HD23 LEU 2 51.241 6.013 -8.836
23 H GLY 3 HN GLY 3 55.010 1.705 -7.623
24 HA2 GLY 3 HA1 GLY 3 56.798 0.388 -6.960
25 HA3 GLY 3 HA2 GLY 3 57.858 1.800 -7.137
26 H ALA 4 HN ALA 4 55.626 3.059 -5.228
27 HA ALA 4 HA ALA 4 56.131 1.734 -2.697
28 HB1 ALA 4 HB1 ALA 4 57.697 4.258 -3.334
29 HB2 ALA 4 HB2 ALA 4 58.359 2.650 -2.951
30 HB3 ALA 4 HB3 ALA 4 57.496 3.580 -1.701
31 H LEU 5 HN LEU 5 56.308 5.034 -2.135
32 HA LEU 5 HA LEU 5 53.509 5.715 -2.598
33 HB2 LEU 5 HB2 LEU 5 53.171 6.007 0.017
34 HB3 LEU 5 HB1 LEU 5 52.885 4.427 -0.744
35 HG LEU 5 HG LEU 5 55.110 3.652 -0.099
36 HD11 LEU 5 HD11 LEU 5 55.441 6.521 0.862
37 HD12 LEU 5 HD12 LEU 5 56.484 5.598 -0.248
38 HD13 LEU 5 HD13 LEU 5 56.456 5.198 1.484
39 HD21 LEU 5 HD21 LEU 5 53.265 3.437 1.541
40 HD22 LEU 5 HD22 LEU 5 53.671 5.035 2.210
41 HD23 LEU 5 HD23 LEU 5 54.823 3.687 2.363
42 H ILE 6 HN ILE 6 56.215 6.731 -3.106
43 HA ILE 6 HA ILE 6 56.561 9.055 -1.293
44 HB ILE 6 HB ILE 6 58.369 9.699 -2.863
45 HG12 ILE 6 HG12 ILE 6 57.264 7.426 -4.582
46 HG13 ILE 6 HG11 ILE 6 57.289 9.154 -5.001
47 HG21 ILE 6 HG21 ILE 6 59.816 7.822 -2.509
48 HG22 ILE 6 HG22 ILE 6 58.458 6.674 -2.550
49 HG23 ILE 6 HG23 ILE 6 58.643 7.785 -1.173
50 HD11 ILE 6 HD1 ILE 6 59.622 7.223 -4.786
51 HD12 ILE 6 HD2 ILE 6 59.874 8.985 -4.694
52 HD13 ILE 6 HD3 ILE 6 59.159 8.262 -6.155
53 H LYS 7 HN LYS 7 57.273 10.917 -3.514
54 HA LYS 7 HA LYS 7 56.116 12.782 -4.295
55 HB2 LYS 7 HB2 LYS 7 55.142 11.015 -5.957
56 HB3 LYS 7 HB1 LYS 7 53.736 10.952 -4.866
57 HG2 LYS 7 HG2 LYS 7 53.521 13.457 -5.115
58 HG3 LYS 7 HG1 LYS 7 54.806 13.395 -6.345
59 HD2 LYS 7 HD2 LYS 7 53.420 11.765 -7.653
60 HD3 LYS 7 HD1 LYS 7 52.116 11.963 -6.457
61 HE2 LYS 7 HE2 LYS 7 53.344 14.275 -8.015
62 HE3 LYS 7 HE1 LYS 7 51.865 13.421 -8.515
63 HZ1 LYS 7 HZ1 LYS 7 52.309 15.215 -6.239
64 HZ2 LYS 7 HZ2 LYS 7 51.212 13.933 -6.031
65 HZ3 LYS 7 HZ3 LYS 7 50.965 15.075 -7.263
66 H GLY 8 HN GLY 8 56.233 11.491 -1.920
67 HA2 GLY 8 HA1 GLY 8 55.432 11.121 0.116
68 HA3 GLY 8 HA2 GLY 8 55.143 12.905 0.078
69 H ALA 9 HN ALA 9 53.747 9.755 -0.747
70 HA ALA 9 HA ALA 9 51.626 8.915 -0.492
71 HB1 ALA 9 HB1 ALA 9 51.707 10.384 1.662
72 HB2 ALA 9 HB2 ALA 9 50.123 9.840 1.062
73 HB3 ALA 9 HB3 ALA 9 50.666 11.505 0.755
74 H ILE 10 HN ILE 10 51.881 9.212 -2.851
75 HA ILE 10 HA ILE 10 51.260 10.113 -4.904
76 HB ILE 10 HB ILE 10 48.625 10.263 -5.080
77 HG12 ILE 10 HG12 ILE 10 48.957 8.984 -2.323
78 HG13 ILE 10 HG11 ILE 10 48.228 10.577 -2.642
79 HG21 ILE 10 HG21 ILE 10 49.909 7.654 -4.150
80 HG22 ILE 10 HG22 ILE 10 50.073 8.323 -5.791
81 HG23 ILE 10 HG23 ILE 10 48.478 7.827 -5.192
82 HD11 ILE 10 HD1 ILE 10 46.303 9.248 -2.581
83 HD12 ILE 10 HD2 ILE 10 47.143 7.816 -3.220
84 HD13 ILE 10 HD3 ILE 10 46.687 9.141 -4.313
85 H HIS 11 HN HIS 11 48.394 11.777 -4.176
86 HA HIS 11 HA HIS 11 49.775 14.345 -4.754
87 HB2 HIS 11 HB2 HIS 11 47.645 13.640 -5.912
88 HB3 HIS 11 HB1 HIS 11 46.813 13.793 -4.348
89 HD1 HIS 11 HD1 HIS 11 49.455 16.280 -4.514
90 HD2 HIS 11 HD2 HIS 11 45.482 16.026 -5.868
91 HE1 HIS 11 HE1 HIS 11 48.685 18.654 -5.068
92 H GLY 12 HN GLY 12 50.333 13.101 -2.214
93 HA2 GLY 12 HA1 GLY 12 50.496 13.746 0.005
94 HA3 GLY 12 HA2 GLY 12 49.949 15.359 -0.501
95 H GLY 13 HN GLY 13 48.344 12.162 -0.653
96 HA2 GLY 13 HA1 GLY 13 46.282 11.496 0.162
97 HA3 GLY 13 HA2 GLY 13 46.624 12.525 1.570
98 H ARG 14 HN ARG 14 45.952 13.074 -1.921
99 HA ARG 14 HA ARG 14 43.533 14.647 -1.144
100 HB2 ARG 14 HB2 ARG 14 45.414 16.282 -1.176
101 HB3 ARG 14 HB1 ARG 14 45.795 15.791 -2.841
102 HG2 ARG 14 HG2 ARG 14 44.448 17.860 -2.828
103 HG3 ARG 14 HG1 ARG 14 43.539 16.534 -3.579
104 HD2 ARG 14 HD2 ARG 14 42.049 16.361 -1.771
105 HD3 ARG 14 HD1 ARG 14 43.215 17.040 -0.608
106 HE ARG 14 HE ARG 14 42.505 19.020 -2.582
107 HH11 ARG 14 HH11 ARG 14 41.684 20.844 -1.404
108 HH12 ARG 14 HH12 ARG 14 40.467 20.547 -0.207
109 HH21 ARG 14 HH21 ARG 14 40.787 17.098 -0.353
110 HH22 ARG 14 HH22 ARG 14 39.962 18.426 0.389
111 H PHE 15 HN PHE 15 45.481 12.836 -3.400
112 HA PHE 15 HA PHE 15 44.172 13.231 -5.833
113 HB2 PHE 15 HB2 PHE 15 46.087 11.606 -5.254
114 HB3 PHE 15 HB1 PHE 15 44.816 10.454 -4.781
115 HD1 PHE 15 HD1 PHE 15 45.971 12.628 -7.622
116 HD2 PHE 15 HD2 PHE 15 43.687 9.162 -6.436
117 HE1 PHE 15 HE1 PHE 15 45.646 12.021 -10.016
118 HE2 PHE 15 HE2 PHE 15 43.364 8.556 -8.832
119 HZ PHE 15 HZ PHE 15 44.366 9.971 -10.620
120 H ILE 16 HN ILE 16 42.899 11.904 -2.890
121 HA ILE 16 HA ILE 16 40.320 11.261 -4.315
122 HB ILE 16 HB ILE 16 41.420 9.850 -1.842
123 HG12 ILE 16 HG12 ILE 16 41.022 8.693 -4.642
124 HG13 ILE 16 HG11 ILE 16 42.573 9.390 -4.131
125 HG21 ILE 16 HG21 ILE 16 38.909 9.536 -3.547
126 HG22 ILE 16 HG22 ILE 16 39.003 9.921 -1.813
127 HG23 ILE 16 HG23 ILE 16 39.454 8.303 -2.391
128 HD11 ILE 16 HD1 ILE 16 42.850 7.100 -3.651
129 HD12 ILE 16 HD2 ILE 16 41.176 6.905 -3.099
130 HD13 ILE 16 HD3 ILE 16 42.356 7.756 -2.076
131 H HIS 17 HN HIS 17 41.079 11.275 -0.782
132 HA HIS 17 HA HIS 17 39.694 13.903 -0.533
133 HB2 HIS 17 HB2 HIS 17 37.892 12.115 -0.579
134 HB3 HIS 17 HB1 HIS 17 38.610 11.455 0.907
135 HD1 HIS 17 HD1 HIS 17 38.349 12.792 3.105
136 HD2 HIS 17 HD2 HIS 17 36.623 14.667 -0.243
137 HE1 HIS 17 HE1 HIS 17 36.907 14.715 3.968
138 H GLY 18 HN GLY 18 42.259 12.110 0.174
139 HA2 GLY 18 HA1 GLY 18 43.818 12.181 1.885
140 HA3 GLY 18 HA2 GLY 18 43.016 13.672 2.436
141 H MET 19 HN MET 19 42.081 10.263 2.138
142 HA MET 19 HA MET 19 41.965 9.717 4.975
143 HB2 MET 19 HB2 MET 19 40.235 11.229 5.003
144 HB3 MET 19 HB1 MET 19 39.531 10.571 3.534
145 HG2 MET 19 HG2 MET 19 38.817 8.562 4.655
146 HG3 MET 19 HG1 MET 19 39.803 8.944 6.085
147 HE1 MET 19 HE1 MET 19 36.219 9.053 4.655
148 HE2 MET 19 HE2 MET 19 37.175 10.206 3.695
149 HE3 MET 19 HE3 MET 19 35.840 10.792 4.717
150 H ILE 20 HN ILE 20 40.606 9.158 1.709
151 HA ILE 20 HA ILE 20 40.330 6.262 2.226
152 HB ILE 20 HB ILE 20 40.531 7.930 -0.338
153 HG12 ILE 20 HG12 ILE 20 38.205 7.293 -0.646
154 HG13 ILE 20 HG11 ILE 20 38.285 6.149 0.711
155 HG21 ILE 20 HG21 ILE 20 40.418 4.909 0.045
156 HG22 ILE 20 HG22 ILE 20 41.611 5.848 -0.883
157 HG23 ILE 20 HG23 ILE 20 39.940 5.701 -1.476
158 HD11 ILE 20 HD1 ILE 20 38.822 9.116 1.095
159 HD12 ILE 20 HD2 ILE 20 38.409 7.897 2.325
160 HD13 ILE 20 HD3 ILE 20 37.176 8.444 1.163
161 H GLN 21 HN GLN 21 42.566 8.658 2.060
162 HA GLN 21 HA GLN 21 44.890 6.846 1.658
163 HB2 GLN 21 HB2 GLN 21 44.430 8.792 -0.051
164 HB3 GLN 21 HB1 GLN 21 44.954 9.861 1.268
165 HG2 GLN 21 HG2 GLN 21 46.590 7.521 0.176
166 HG3 GLN 21 HG1 GLN 21 46.822 9.223 -0.280
167 HE21 GLN 21 HE21 GLN 21 47.003 10.753 1.814
168 HE22 GLN 21 HE22 GLN 21 48.081 10.125 3.065
169 H ASN 22 HN ASN 22 43.168 9.424 3.744
170 HA ASN 22 HA ASN 22 45.611 9.122 5.592
171 HB2 ASN 22 HB2 ASN 22 43.445 11.210 5.925
172 HB3 ASN 22 HB1 ASN 22 45.107 11.207 6.543
173 HD21 ASN 22 HD21 ASN 22 44.286 13.459 5.104
174 HD22 ASN 22 HD22 ASN 22 45.069 13.456 3.521
175 H HIS 23 HN HIS 23 43.079 7.375 5.118
176 HA HIS 23 HA HIS 23 41.501 6.266 6.440
177 HB2 HIS 23 HB2 HIS 23 42.502 5.192 8.402
178 HB3 HIS 23 HB1 HIS 23 43.660 5.210 7.050
179 HD1 HIS 23 HD1 HIS 23 42.815 7.172 10.238
180 HD2 HIS 23 HD2 HIS 23 46.028 6.592 7.587
181 HE1 HIS 23 HE1 HIS 23 44.865 8.297 11.266
182 H HIS 24 HN HIS 24 41.090 6.073 9.173
183 HA HIS 24 HA HIS 24 39.422 8.356 9.644
184 HB2 HIS 24 HB2 HIS 24 40.482 6.227 11.545
185 HB3 HIS 24 HB1 HIS 24 39.207 7.403 11.951
186 HD1 HIS 24 HD1 HIS 24 37.494 7.449 9.452
187 HD2 HIS 24 HD2 HIS 24 39.027 3.904 11.113
188 HE1 HIS 24 HE1 HIS 24 36.047 5.522 8.603
Start of MODEL 40
1 H1 PHE 1 HT1 PHE 1 60.998 10.960 -12.401
2 H2 PHE 1 HT2 PHE 1 61.061 12.548 -11.800
3 H3 PHE 1 HT3 PHE 1 60.349 12.235 -13.310
4 HA PHE 1 HA PHE 1 59.108 12.391 -10.883
5 HB2 PHE 1 HB2 PHE 1 58.205 11.261 -13.561
6 HB3 PHE 1 HB1 PHE 1 57.116 11.705 -12.225
7 HD1 PHE 1 HD1 PHE 1 56.875 14.070 -11.518
8 HD2 PHE 1 HD2 PHE 1 59.329 12.962 -14.893
9 HE1 PHE 1 HE1 PHE 1 56.920 16.446 -12.266
10 HE2 PHE 1 HE2 PHE 1 59.372 15.339 -15.641
11 HZ PHE 1 HZ PHE 1 58.210 17.088 -14.299
12 H LEU 2 HN LEU 2 58.980 11.013 -9.246
13 HA LEU 2 HA LEU 2 59.646 8.205 -9.552
14 HB2 LEU 2 HB2 LEU 2 58.163 9.422 -7.198
15 HB3 LEU 2 HB1 LEU 2 59.281 8.039 -7.210
16 HG LEU 2 HG LEU 2 60.001 10.958 -7.733
17 HD11 LEU 2 HD11 LEU 2 59.567 10.340 -5.352
18 HD12 LEU 2 HD12 LEU 2 61.276 10.743 -5.642
19 HD13 LEU 2 HD13 LEU 2 60.776 9.041 -5.488
20 HD21 LEU 2 HD21 LEU 2 61.447 9.662 -9.131
21 HD22 LEU 2 HD22 LEU 2 61.602 8.371 -7.914
22 HD23 LEU 2 HD23 LEU 2 62.386 9.947 -7.649
23 H GLY 3 HN GLY 3 57.665 7.108 -7.763
24 HA2 GLY 3 HA1 GLY 3 55.013 7.434 -8.745
25 HA3 GLY 3 HA2 GLY 3 55.795 6.147 -9.682
26 H ALA 4 HN ALA 4 57.408 5.967 -6.899
27 HA ALA 4 HA ALA 4 55.962 3.616 -6.017
28 HB1 ALA 4 HB1 ALA 4 57.608 3.661 -4.134
29 HB2 ALA 4 HB2 ALA 4 58.206 5.220 -4.749
30 HB3 ALA 4 HB3 ALA 4 58.363 3.752 -5.742
31 H LEU 5 HN LEU 5 55.940 3.643 -3.308
32 HA LEU 5 HA LEU 5 53.538 5.227 -2.773
33 HB2 LEU 5 HB2 LEU 5 55.173 3.676 -0.735
34 HB3 LEU 5 HB1 LEU 5 53.432 4.040 -0.713
35 HG LEU 5 HG LEU 5 54.855 2.223 -2.711
36 HD11 LEU 5 HD11 LEU 5 52.913 1.632 -0.433
37 HD12 LEU 5 HD12 LEU 5 54.650 1.247 -0.452
38 HD13 LEU 5 HD13 LEU 5 53.546 0.436 -1.588
39 HD21 LEU 5 HD21 LEU 5 53.009 3.213 -3.869
40 HD22 LEU 5 HD22 LEU 5 51.969 3.159 -2.425
41 HD23 LEU 5 HD23 LEU 5 52.389 1.655 -3.279
42 H ILE 6 HN ILE 6 54.983 7.235 -3.358
43 HA ILE 6 HA ILE 6 55.532 8.553 -0.741
44 HB ILE 6 HB ILE 6 57.729 7.394 -1.680
45 HG12 ILE 6 HG12 ILE 6 59.000 9.714 -1.125
46 HG13 ILE 6 HG11 ILE 6 57.368 10.220 -0.640
47 HG21 ILE 6 HG21 ILE 6 58.796 8.221 -3.553
48 HG22 ILE 6 HG22 ILE 6 58.181 9.870 -3.335
49 HG23 ILE 6 HG23 ILE 6 57.135 8.618 -4.042
50 HD11 ILE 6 HD1 ILE 6 58.319 9.327 1.342
51 HD12 ILE 6 HD2 ILE 6 59.057 7.958 0.476
52 HD13 ILE 6 HD3 ILE 6 57.296 8.009 0.726
53 H LYS 7 HN LYS 7 57.030 10.731 -2.282
54 HA LYS 7 HA LYS 7 56.229 12.810 -2.965
55 HB2 LYS 7 HB2 LYS 7 54.232 11.159 -4.610
56 HB3 LYS 7 HB1 LYS 7 54.537 12.903 -4.800
57 HG2 LYS 7 HG2 LYS 7 56.823 12.500 -5.501
58 HG3 LYS 7 HG1 LYS 7 56.691 10.772 -5.103
59 HD2 LYS 7 HD2 LYS 7 56.443 11.030 -7.516
60 HD3 LYS 7 HD1 LYS 7 54.874 10.557 -6.827
61 HE2 LYS 7 HE2 LYS 7 53.970 12.734 -7.079
62 HE3 LYS 7 HE1 LYS 7 55.576 13.487 -7.239
63 HZ1 LYS 7 HZ1 LYS 7 54.763 13.395 -9.399
64 HZ2 LYS 7 HZ2 LYS 7 54.092 11.846 -9.206
65 HZ3 LYS 7 HZ3 LYS 7 55.777 12.037 -9.317
66 H GLY 8 HN GLY 8 55.564 11.124 -0.956
67 HA2 GLY 8 HA1 GLY 8 54.163 10.488 0.642
68 HA3 GLY 8 HA2 GLY 8 53.985 12.271 0.868
69 H ALA 9 HN ALA 9 52.603 9.317 -0.276
70 HA ALA 9 HA ALA 9 50.558 8.773 -1.212
71 HB1 ALA 9 HB1 ALA 9 48.683 9.465 0.245
72 HB2 ALA 9 HB2 ALA 9 49.747 10.658 1.027
73 HB3 ALA 9 HB3 ALA 9 50.092 8.918 1.184
74 H ILE 10 HN ILE 10 51.697 10.641 -2.831
75 HA ILE 10 HA ILE 10 51.316 12.532 -4.152
76 HB ILE 10 HB ILE 10 49.026 12.248 -5.445
77 HG12 ILE 10 HG12 ILE 10 48.200 10.605 -3.546
78 HG13 ILE 10 HG11 ILE 10 47.837 10.237 -5.232
79 HG21 ILE 10 HG21 ILE 10 51.122 11.739 -6.483
80 HG22 ILE 10 HG22 ILE 10 50.046 10.354 -6.775
81 HG23 ILE 10 HG23 ILE 10 51.319 10.250 -5.534
82 HD11 ILE 10 HD1 ILE 10 48.680 8.279 -3.824
83 HD12 ILE 10 HD2 ILE 10 50.266 9.071 -3.803
84 HD13 ILE 10 HD3 ILE 10 49.551 8.560 -5.345
85 H HIS 11 HN HIS 11 47.847 12.254 -3.607
86 HA HIS 11 HA HIS 11 47.463 14.995 -3.175
87 HB2 HIS 11 HB2 HIS 11 45.808 12.776 -1.919
88 HB3 HIS 11 HB1 HIS 11 45.272 14.418 -2.350
89 HD1 HIS 11 HD1 HIS 11 44.759 11.199 -3.549
90 HD2 HIS 11 HD2 HIS 11 46.284 14.637 -5.425
91 HE1 HIS 11 HE1 HIS 11 44.415 10.910 -6.064
92 H GLY 12 HN GLY 12 49.160 12.842 -1.149
93 HA2 GLY 12 HA1 GLY 12 48.315 13.837 1.420
94 HA3 GLY 12 HA2 GLY 12 49.863 13.050 1.058
95 H GLY 13 HN GLY 13 49.557 15.500 -1.110
96 HA2 GLY 13 HA1 GLY 13 50.330 17.751 0.590
97 HA3 GLY 13 HA2 GLY 13 51.682 17.048 -0.322
98 H ARG 14 HN ARG 14 49.750 16.225 -2.501
99 HA ARG 14 HA ARG 14 50.008 18.695 -4.051
100 HB2 ARG 14 HB2 ARG 14 50.107 16.082 -4.727
101 HB3 ARG 14 HB1 ARG 14 48.380 16.347 -5.041
102 HG2 ARG 14 HG2 ARG 14 50.699 17.947 -6.230
103 HG3 ARG 14 HG1 ARG 14 49.712 16.739 -7.083
104 HD2 ARG 14 HD2 ARG 14 47.683 18.271 -6.333
105 HD3 ARG 14 HD1 ARG 14 48.946 19.516 -6.161
106 HE ARG 14 HE ARG 14 49.386 18.406 -8.682
107 HH11 ARG 14 HH11 ARG 14 46.399 17.979 -8.663
108 HH12 ARG 14 HH12 ARG 14 45.827 19.467 -9.344
109 HH21 ARG 14 HH21 ARG 14 48.816 21.152 -8.846
110 HH22 ARG 14 HH22 ARG 14 47.195 21.262 -9.447
111 H PHE 15 HN PHE 15 47.481 16.987 -2.289
112 HA PHE 15 HA PHE 15 45.117 17.917 -3.344
113 HB2 PHE 15 HB2 PHE 15 45.360 16.536 -1.275
114 HB3 PHE 15 HB1 PHE 15 45.798 18.013 -0.381
115 HD1 PHE 15 HD1 PHE 15 44.132 19.688 0.180
116 HD2 PHE 15 HD2 PHE 15 43.085 16.280 -2.253
117 HE1 PHE 15 HE1 PHE 15 41.716 20.229 0.461
118 HE2 PHE 15 HE2 PHE 15 40.669 16.822 -1.973
119 HZ PHE 15 HZ PHE 15 39.991 18.845 -0.685
120 H ILE 16 HN ILE 16 46.935 19.757 -0.827
121 HA ILE 16 HA ILE 16 45.325 22.105 -1.118
122 HB ILE 16 HB ILE 16 48.236 22.072 -0.214
123 HG12 ILE 16 HG12 ILE 16 45.690 21.337 1.302
124 HG13 ILE 16 HG11 ILE 16 47.059 20.260 0.939
125 HG21 ILE 16 HG21 ILE 16 47.621 24.008 1.063
126 HG22 ILE 16 HG22 ILE 16 45.885 23.739 0.773
127 HG23 ILE 16 HG23 ILE 16 46.941 24.268 -0.559
128 HD11 ILE 16 HD1 ILE 16 47.445 20.935 3.180
129 HD12 ILE 16 HD2 ILE 16 46.960 22.615 2.852
130 HD13 ILE 16 HD3 ILE 16 48.512 21.998 2.231
131 H HIS 17 HN HIS 17 48.833 22.137 -1.879
132 HA HIS 17 HA HIS 17 48.435 22.799 -4.668
133 HB2 HIS 17 HB2 HIS 17 47.565 24.896 -3.501
134 HB3 HIS 17 HB1 HIS 17 49.221 25.152 -2.907
135 HD1 HIS 17 HD1 HIS 17 50.394 23.868 -5.737
136 HD2 HIS 17 HD2 HIS 17 47.927 27.231 -5.194
137 HE1 HIS 17 HE1 HIS 17 50.653 25.346 -7.806
138 H GLY 18 HN GLY 18 50.003 20.963 -3.409
139 HA2 GLY 18 HA1 GLY 18 52.287 20.446 -4.250
140 HA3 GLY 18 HA2 GLY 18 52.781 22.077 -3.740
141 H MET 19 HN MET 19 51.325 22.207 -1.408
142 HA MET 19 HA MET 19 51.103 20.620 0.540
143 HB2 MET 19 HB2 MET 19 52.874 19.087 0.279
144 HB3 MET 19 HB1 MET 19 54.065 20.371 0.065
145 HG2 MET 19 HG2 MET 19 53.940 20.984 2.402
146 HG3 MET 19 HG1 MET 19 52.511 19.952 2.644
147 HE1 MET 19 HE1 MET 19 53.709 19.303 4.646
148 HE2 MET 19 HE2 MET 19 54.720 17.842 4.736
149 HE3 MET 19 HE3 MET 19 53.049 17.731 4.134
150 H ILE 20 HN ILE 20 50.036 22.349 1.189
151 HA ILE 20 HA ILE 20 49.734 24.329 2.363
152 HB ILE 20 HB ILE 20 52.633 24.196 3.321
153 HG12 ILE 20 HG12 ILE 20 50.237 22.605 4.354
154 HG13 ILE 20 HG11 ILE 20 51.727 21.939 3.651
155 HG21 ILE 20 HG21 ILE 20 50.125 25.004 4.853
156 HG22 ILE 20 HG22 ILE 20 50.998 26.158 3.822
157 HG23 ILE 20 HG23 ILE 20 51.820 25.412 5.208
158 HD11 ILE 20 HD1 ILE 20 52.972 23.199 5.549
159 HD12 ILE 20 HD2 ILE 20 52.046 21.748 5.999
160 HD13 ILE 20 HD3 ILE 20 51.370 23.364 6.308
161 H GLN 21 HN GLN 21 50.972 23.823 -0.259
162 HA GLN 21 HA GLN 21 51.427 25.298 -2.054
163 HB2 GLN 21 HB2 GLN 21 50.834 27.281 -0.385
164 HB3 GLN 21 HB1 GLN 21 52.598 27.407 -0.192
165 HG2 GLN 21 HG2 GLN 21 52.017 28.910 -1.967
166 HG3 GLN 21 HG1 GLN 21 52.750 27.487 -2.745
167 HE21 GLN 21 HE21 GLN 21 49.415 28.302 -1.515
168 HE22 GLN 21 HE22 GLN 21 48.606 27.791 -3.000
169 H ASN 22 HN ASN 22 52.787 23.303 -0.595
170 HA ASN 22 HA ASN 22 54.850 22.381 -0.227
171 HB2 ASN 22 HB2 ASN 22 54.764 22.060 -2.550
172 HB3 ASN 22 HB1 ASN 22 55.218 23.756 -2.891
173 HD21 ASN 22 HD21 ASN 22 57.440 24.221 -3.106
174 HD22 ASN 22 HD22 ASN 22 58.722 23.074 -2.705
175 H HIS 23 HN HIS 23 54.656 24.002 1.540
176 HA HIS 23 HA HIS 23 56.291 26.335 1.595
177 HB2 HIS 23 HB2 HIS 23 56.220 26.145 4.011
178 HB3 HIS 23 HB1 HIS 23 54.647 25.630 3.359
179 HD1 HIS 23 HD1 HIS 23 54.953 22.772 2.628
180 HD2 HIS 23 HD2 HIS 23 56.838 24.379 6.028
181 HE1 HIS 23 HE1 HIS 23 55.478 20.827 4.200
182 H HIS 24 HN HIS 24 58.334 26.654 2.823
183 HA HIS 24 HA HIS 24 60.443 25.153 1.653
184 HB2 HIS 24 HB2 HIS 24 60.631 27.454 2.649
185 HB3 HIS 24 HB1 HIS 24 60.549 26.712 4.265
186 HD1 HIS 24 HD1 HIS 24 62.384 24.504 4.416
187 HD2 HIS 24 HD2 HIS 24 63.247 27.702 1.826
188 HE1 HIS 24 HE1 HIS 24 64.898 24.462 3.967
Start of MODEL 41
1 H1 PHE 1 HT1 PHE 1 62.711 5.295 -8.240
2 H2 PHE 1 HT2 PHE 1 62.027 6.828 -8.499
3 H3 PHE 1 HT3 PHE 1 63.461 6.386 -9.299
4 HA PHE 1 HA PHE 1 61.817 6.197 -10.890
5 HB2 PHE 1 HB2 PHE 1 62.155 3.417 -9.702
6 HB3 PHE 1 HB1 PHE 1 61.839 3.833 -11.404
7 HD1 PHE 1 HD1 PHE 1 64.353 3.931 -8.664
8 HD2 PHE 1 HD2 PHE 1 63.606 4.674 -12.849
9 HE1 PHE 1 HE1 PHE 1 66.803 4.151 -9.062
10 HE2 PHE 1 HE2 PHE 1 66.056 4.894 -13.248
11 HZ PHE 1 HZ PHE 1 67.646 4.710 -11.339
12 H LEU 2 HN LEU 2 60.862 5.098 -7.699
13 HA LEU 2 HA LEU 2 58.194 4.242 -8.469
14 HB2 LEU 2 HB2 LEU 2 59.017 5.226 -5.717
15 HB3 LEU 2 HB1 LEU 2 57.786 4.014 -6.140
16 HG LEU 2 HG LEU 2 60.804 3.732 -6.483
17 HD11 LEU 2 HD11 LEU 2 60.624 2.043 -4.750
18 HD12 LEU 2 HD12 LEU 2 58.848 2.166 -4.746
19 HD13 LEU 2 HD13 LEU 2 59.837 3.522 -4.151
20 HD21 LEU 2 HD21 LEU 2 60.093 1.310 -7.069
21 HD22 LEU 2 HD22 LEU 2 59.823 2.548 -8.315
22 HD23 LEU 2 HD23 LEU 2 58.460 1.975 -7.322
23 H GLY 3 HN GLY 3 56.617 5.554 -6.530
24 HA2 GLY 3 HA1 GLY 3 56.662 8.357 -6.562
25 HA3 GLY 3 HA2 GLY 3 55.832 7.874 -8.054
26 H ALA 4 HN ALA 4 54.834 5.375 -6.721
27 HA ALA 4 HA ALA 4 52.288 6.387 -5.910
28 HB1 ALA 4 HB1 ALA 4 52.598 4.117 -6.761
29 HB2 ALA 4 HB2 ALA 4 51.873 4.069 -5.136
30 HB3 ALA 4 HB3 ALA 4 53.602 3.705 -5.350
31 H LEU 5 HN LEU 5 54.928 4.928 -3.949
32 HA LEU 5 HA LEU 5 53.619 5.623 -1.446
33 HB2 LEU 5 HB2 LEU 5 56.575 5.018 -1.789
34 HB3 LEU 5 HB1 LEU 5 55.526 4.684 -0.390
35 HG LEU 5 HG LEU 5 55.384 3.351 -3.131
36 HD11 LEU 5 HD11 LEU 5 56.059 1.342 -1.918
37 HD12 LEU 5 HD12 LEU 5 56.010 2.218 -0.368
38 HD13 LEU 5 HD13 LEU 5 57.237 2.634 -1.589
39 HD21 LEU 5 HD21 LEU 5 53.592 3.189 -0.672
40 HD22 LEU 5 HD22 LEU 5 53.661 1.882 -1.879
41 HD23 LEU 5 HD23 LEU 5 53.122 3.508 -2.358
42 H ILE 6 HN ILE 6 55.967 7.152 -3.589
43 HA ILE 6 HA ILE 6 56.511 9.308 -1.559
44 HB ILE 6 HB ILE 6 57.515 9.578 -4.418
45 HG12 ILE 6 HG12 ILE 6 57.730 7.112 -4.024
46 HG13 ILE 6 HG11 ILE 6 59.294 7.934 -4.163
47 HG21 ILE 6 HG21 ILE 6 58.244 11.173 -2.723
48 HG22 ILE 6 HG22 ILE 6 59.629 10.157 -3.181
49 HG23 ILE 6 HG23 ILE 6 58.777 9.861 -1.649
50 HD11 ILE 6 HD1 ILE 6 58.053 7.506 -1.423
51 HD12 ILE 6 HD2 ILE 6 59.762 7.735 -1.859
52 HD13 ILE 6 HD3 ILE 6 58.950 6.196 -2.223
53 H LYS 7 HN LYS 7 56.844 11.303 -3.789
54 HA LYS 7 HA LYS 7 55.526 13.149 -4.269
55 HB2 LYS 7 HB2 LYS 7 53.206 11.197 -4.642
56 HB3 LYS 7 HB1 LYS 7 53.341 12.832 -5.331
57 HG2 LYS 7 HG2 LYS 7 55.216 10.513 -5.983
58 HG3 LYS 7 HG1 LYS 7 53.836 11.009 -6.992
59 HD2 LYS 7 HD2 LYS 7 54.921 13.368 -7.005
60 HD3 LYS 7 HD1 LYS 7 56.378 12.564 -6.375
61 HE2 LYS 7 HE2 LYS 7 56.313 10.998 -8.332
62 HE3 LYS 7 HE1 LYS 7 54.937 11.921 -8.983
63 HZ1 LYS 7 HZ1 LYS 7 57.596 13.095 -8.338
64 HZ2 LYS 7 HZ2 LYS 7 56.296 13.873 -9.105
65 HZ3 LYS 7 HZ3 LYS 7 57.117 12.609 -9.890
66 H GLY 8 HN GLY 8 55.950 11.670 -2.040
67 HA2 GLY 8 HA1 GLY 8 55.594 11.304 0.087
68 HA3 GLY 8 HA2 GLY 8 55.036 13.023 0.140
69 H ALA 9 HN ALA 9 53.928 9.766 -0.771
70 HA ALA 9 HA ALA 9 51.993 8.634 -0.261
71 HB1 ALA 9 HB1 ALA 9 50.808 9.113 1.712
72 HB2 ALA 9 HB2 ALA 9 51.123 10.860 1.604
73 HB3 ALA 9 HB3 ALA 9 52.434 9.745 2.054
74 H ILE 10 HN ILE 10 51.602 9.244 -2.513
75 HA ILE 10 HA ILE 10 50.067 9.915 -4.135
76 HB ILE 10 HB ILE 10 48.253 11.013 -1.931
77 HG12 ILE 10 HG12 ILE 10 48.723 8.132 -2.782
78 HG13 ILE 10 HG11 ILE 10 48.798 8.825 -1.148
79 HG21 ILE 10 HG21 ILE 10 47.837 11.338 -4.466
80 HG22 ILE 10 HG22 ILE 10 46.512 10.673 -3.493
81 HG23 ILE 10 HG23 ILE 10 47.500 9.595 -4.506
82 HD11 ILE 10 HD1 ILE 10 46.697 7.696 -1.242
83 HD12 ILE 10 HD2 ILE 10 46.334 8.346 -2.858
84 HD13 ILE 10 HD3 ILE 10 46.312 9.423 -1.441
85 H HIS 11 HN HIS 11 48.286 12.392 -3.059
86 HA HIS 11 HA HIS 11 50.239 14.420 -4.038
87 HB2 HIS 11 HB2 HIS 11 47.323 14.765 -3.201
88 HB3 HIS 11 HB1 HIS 11 48.322 15.904 -4.136
89 HD1 HIS 11 HD1 HIS 11 45.593 14.004 -4.865
90 HD2 HIS 11 HD2 HIS 11 49.481 13.946 -6.466
91 HE1 HIS 11 HE1 HIS 11 45.460 12.871 -7.152
92 H GLY 12 HN GLY 12 49.932 12.701 -1.426
93 HA2 GLY 12 HA1 GLY 12 50.519 13.085 0.789
94 HA3 GLY 12 HA2 GLY 12 51.012 14.729 0.342
95 H GLY 13 HN GLY 13 48.069 12.741 0.830
96 HA2 GLY 13 HA1 GLY 13 46.176 13.202 2.080
97 HA3 GLY 13 HA2 GLY 13 47.044 14.562 2.814
98 H ARG 14 HN ARG 14 47.516 15.487 -0.139
99 HA ARG 14 HA ARG 14 45.286 17.331 -0.114
100 HB2 ARG 14 HB2 ARG 14 47.815 17.320 -1.228
101 HB3 ARG 14 HB1 ARG 14 46.824 17.027 -2.669
102 HG2 ARG 14 HG2 ARG 14 46.429 19.324 -0.687
103 HG3 ARG 14 HG1 ARG 14 47.222 19.459 -2.271
104 HD2 ARG 14 HD2 ARG 14 44.309 18.770 -1.709
105 HD3 ARG 14 HD1 ARG 14 44.948 20.188 -2.571
106 HE ARG 14 HE ARG 14 45.855 17.902 -3.973
107 HH11 ARG 14 HH11 ARG 14 43.560 20.283 -4.121
108 HH12 ARG 14 HH12 ARG 14 42.411 19.392 -5.065
109 HH21 ARG 14 HH21 ARG 14 44.094 16.377 -4.752
110 HH22 ARG 14 HH22 ARG 14 42.713 17.182 -5.421
111 H PHE 15 HN PHE 15 45.351 14.125 -0.839
112 HA PHE 15 HA PHE 15 44.002 13.893 -3.325
113 HB2 PHE 15 HB2 PHE 15 44.906 11.985 -1.994
114 HB3 PHE 15 HB1 PHE 15 43.578 12.199 -0.828
115 HD1 PHE 15 HD1 PHE 15 44.164 11.813 -4.537
116 HD2 PHE 15 HD2 PHE 15 41.569 10.994 -1.183
117 HE1 PHE 15 HE1 PHE 15 42.679 10.462 -6.012
118 HE2 PHE 15 HE2 PHE 15 40.087 9.645 -2.660
119 HZ PHE 15 HZ PHE 15 40.679 9.323 -5.059
120 H ILE 16 HN ILE 16 42.989 15.274 -0.352
121 HA ILE 16 HA ILE 16 40.274 15.723 -1.490
122 HB ILE 16 HB ILE 16 40.417 14.910 1.437
123 HG12 ILE 16 HG12 ILE 16 40.302 12.997 -0.942
124 HG13 ILE 16 HG11 ILE 16 41.584 13.075 0.289
125 HG21 ILE 16 HG21 ILE 16 38.271 14.328 -0.641
126 HG22 ILE 16 HG22 ILE 16 38.368 15.899 0.184
127 HG23 ILE 16 HG23 ILE 16 38.108 14.415 1.129
128 HD11 ILE 16 HD1 ILE 16 38.699 12.189 0.637
129 HD12 ILE 16 HD2 ILE 16 39.733 12.622 2.019
130 HD13 ILE 16 HD3 ILE 16 40.185 11.268 0.960
131 H HIS 17 HN HIS 17 41.603 16.212 1.841
132 HA HIS 17 HA HIS 17 42.234 19.018 1.226
133 HB2 HIS 17 HB2 HIS 17 40.473 19.456 3.409
134 HB3 HIS 17 HB1 HIS 17 40.217 19.957 1.728
135 HD1 HIS 17 HD1 HIS 17 39.818 16.645 3.675
136 HD2 HIS 17 HD2 HIS 17 37.821 19.016 0.835
137 HE1 HIS 17 HE1 HIS 17 37.556 15.545 3.211
138 H GLY 18 HN GLY 18 43.327 16.479 2.304
139 HA2 GLY 18 HA1 GLY 18 45.374 17.010 3.829
140 HA3 GLY 18 HA2 GLY 18 44.125 17.308 5.064
141 H MET 19 HN MET 19 42.284 15.543 4.614
142 HA MET 19 HA MET 19 42.755 12.976 3.943
143 HB2 MET 19 HB2 MET 19 44.386 13.501 6.289
144 HB3 MET 19 HB1 MET 19 43.117 12.346 6.729
145 HG2 MET 19 HG2 MET 19 43.779 10.909 4.808
146 HG3 MET 19 HG1 MET 19 45.066 12.067 4.396
147 HE1 MET 19 HE1 MET 19 46.705 8.788 5.962
148 HE2 MET 19 HE2 MET 19 46.533 9.781 4.493
149 HE3 MET 19 HE3 MET 19 45.136 8.874 5.124
150 H ILE 20 HN ILE 20 40.661 13.446 3.382
151 HA ILE 20 HA ILE 20 38.359 13.390 3.761
152 HB ILE 20 HB ILE 20 38.840 12.349 6.591
153 HG12 ILE 20 HG12 ILE 20 38.950 10.774 3.973
154 HG13 ILE 20 HG11 ILE 20 40.281 10.985 5.132
155 HG21 ILE 20 HG21 ILE 20 36.507 12.961 5.617
156 HG22 ILE 20 HG22 ILE 20 36.688 11.352 6.345
157 HG23 ILE 20 HG23 ILE 20 36.706 11.535 4.575
158 HD11 ILE 20 HD1 ILE 20 37.714 9.405 5.478
159 HD12 ILE 20 HD2 ILE 20 38.691 9.911 6.878
160 HD13 ILE 20 HD3 ILE 20 39.393 8.842 5.641
161 H GLN 21 HN GLN 21 40.482 15.281 4.617
162 HA GLN 21 HA GLN 21 40.248 17.581 5.195
163 HB2 GLN 21 HB2 GLN 21 37.647 17.164 5.465
164 HB3 GLN 21 HB1 GLN 21 38.030 16.958 7.190
165 HG2 GLN 21 HG2 GLN 21 39.223 19.197 7.103
166 HG3 GLN 21 HG1 GLN 21 38.576 19.406 5.458
167 HE21 GLN 21 HE21 GLN 21 36.036 18.938 5.354
168 HE22 GLN 21 HE22 GLN 21 35.106 19.662 6.671
169 H ASN 22 HN ASN 22 41.634 15.269 6.068
170 HA ASN 22 HA ASN 22 42.931 14.453 7.780
171 HB2 ASN 22 HB2 ASN 22 44.151 16.446 7.264
172 HB3 ASN 22 HB1 ASN 22 43.092 17.433 8.313
173 HD21 ASN 22 HD21 ASN 22 44.723 14.211 8.794
174 HD22 ASN 22 HD22 ASN 22 45.521 14.688 10.297
175 H HIS 23 HN HIS 23 40.444 13.942 8.274
176 HA HIS 23 HA HIS 23 39.238 14.970 10.617
177 HB2 HIS 23 HB2 HIS 23 38.224 13.310 9.039
178 HB3 HIS 23 HB1 HIS 23 39.275 12.055 9.740
179 HD1 HIS 23 HD1 HIS 23 39.144 12.439 12.680
180 HD2 HIS 23 HD2 HIS 23 35.767 13.103 10.264
181 HE1 HIS 23 HE1 HIS 23 37.083 12.202 14.171
182 H HIS 24 HN HIS 24 39.802 15.041 12.684
183 HA HIS 24 HA HIS 24 41.034 14.646 14.613
184 HB2 HIS 24 HB2 HIS 24 39.577 12.608 14.532
185 HB3 HIS 24 HB1 HIS 24 40.887 11.750 13.687
186 HD1 HIS 24 HD1 HIS 24 43.279 11.705 15.031
187 HD2 HIS 24 HD2 HIS 24 39.865 12.650 17.297
188 HE1 HIS 24 HE1 HIS 24 43.872 11.340 17.490
Start of MODEL 42
1 H1 PHE 1 HT1 PHE 1 60.357 5.813 8.439
2 H2 PHE 1 HT2 PHE 1 58.901 6.520 7.918
3 H3 PHE 1 HT3 PHE 1 60.350 6.835 7.086
4 HA PHE 1 HA PHE 1 60.500 4.443 6.575
5 HB2 PHE 1 HB2 PHE 1 57.594 4.480 7.472
6 HB3 PHE 1 HB1 PHE 1 58.508 3.091 6.836
7 HD1 PHE 1 HD1 PHE 1 60.239 1.984 8.189
8 HD2 PHE 1 HD2 PHE 1 57.987 5.323 9.741
9 HE1 PHE 1 HE1 PHE 1 61.036 1.453 10.489
10 HE2 PHE 1 HE2 PHE 1 58.784 4.792 12.040
11 HZ PHE 1 HZ PHE 1 60.375 2.907 12.400
12 H LEU 2 HN LEU 2 57.267 5.994 6.307
13 HA LEU 2 HA LEU 2 56.071 6.597 4.406
14 HB2 LEU 2 HB2 LEU 2 58.877 7.589 3.800
15 HB3 LEU 2 HB1 LEU 2 57.539 7.863 2.660
16 HG LEU 2 HG LEU 2 56.244 9.003 4.425
17 HD11 LEU 2 HD11 LEU 2 56.928 7.949 6.450
18 HD12 LEU 2 HD12 LEU 2 57.580 9.598 6.569
19 HD13 LEU 2 HD13 LEU 2 58.652 8.247 6.126
20 HD21 LEU 2 HD21 LEU 2 57.681 11.009 4.629
21 HD22 LEU 2 HD22 LEU 2 57.805 10.307 2.998
22 HD23 LEU 2 HD23 LEU 2 59.106 10.042 4.184
23 H GLY 3 HN GLY 3 56.504 3.931 4.429
24 HA2 GLY 3 HA1 GLY 3 57.886 2.861 2.179
25 HA3 GLY 3 HA2 GLY 3 56.550 2.079 3.047
26 H ALA 4 HN ALA 4 55.153 4.853 2.266
27 HA ALA 4 HA ALA 4 53.604 3.720 0.129
28 HB1 ALA 4 HB1 ALA 4 53.876 6.665 0.805
29 HB2 ALA 4 HB2 ALA 4 52.892 5.526 1.757
30 HB3 ALA 4 HB3 ALA 4 52.491 5.838 0.051
31 H LEU 5 HN LEU 5 53.239 5.235 -1.920
32 HA LEU 5 HA LEU 5 55.750 5.031 -3.422
33 HB2 LEU 5 HB2 LEU 5 52.905 5.856 -4.094
34 HB3 LEU 5 HB1 LEU 5 54.224 6.032 -5.275
35 HG LEU 5 HG LEU 5 54.710 3.639 -5.160
36 HD11 LEU 5 HD11 LEU 5 54.288 3.041 -2.896
37 HD12 LEU 5 HD12 LEU 5 53.024 2.191 -3.812
38 HD13 LEU 5 HD13 LEU 5 52.632 3.692 -2.938
39 HD21 LEU 5 HD21 LEU 5 52.845 4.520 -6.641
40 HD22 LEU 5 HD22 LEU 5 51.693 4.025 -5.377
41 HD23 LEU 5 HD23 LEU 5 52.687 2.802 -6.205
42 H ILE 6 HN ILE 6 55.586 6.974 -1.170
43 HA ILE 6 HA ILE 6 55.885 9.286 -0.730
44 HB ILE 6 HB ILE 6 57.930 10.151 -1.841
45 HG12 ILE 6 HG12 ILE 6 57.883 7.622 -3.560
46 HG13 ILE 6 HG11 ILE 6 57.348 9.206 -4.156
47 HG21 ILE 6 HG21 ILE 6 57.981 8.384 -0.010
48 HG22 ILE 6 HG22 ILE 6 59.444 8.473 -1.016
49 HG23 ILE 6 HG23 ILE 6 58.256 7.176 -1.285
50 HD11 ILE 6 HD1 ILE 6 60.129 8.371 -3.266
51 HD12 ILE 6 HD2 ILE 6 59.665 10.083 -3.404
52 HD13 ILE 6 HD3 ILE 6 59.621 9.030 -4.836
53 H LYS 7 HN LYS 7 57.015 11.106 -2.965
54 HA LYS 7 HA LYS 7 55.944 12.888 -4.018
55 HB2 LYS 7 HB2 LYS 7 55.292 10.987 -5.694
56 HB3 LYS 7 HB1 LYS 7 53.729 10.953 -4.842
57 HG2 LYS 7 HG2 LYS 7 53.364 13.329 -5.348
58 HG3 LYS 7 HG1 LYS 7 54.962 13.430 -6.126
59 HD2 LYS 7 HD2 LYS 7 54.181 11.590 -7.713
60 HD3 LYS 7 HD1 LYS 7 52.548 11.812 -7.039
61 HE2 LYS 7 HE2 LYS 7 52.638 14.224 -7.669
62 HE3 LYS 7 HE1 LYS 7 54.240 13.957 -8.397
63 HZ1 LYS 7 HZ1 LYS 7 53.163 12.233 -9.814
64 HZ2 LYS 7 HZ2 LYS 7 52.618 13.815 -10.111
65 HZ3 LYS 7 HZ3 LYS 7 51.656 12.734 -9.220
66 H GLY 8 HN GLY 8 55.708 11.743 -1.578
67 HA2 GLY 8 HA1 GLY 8 54.596 11.466 0.323
68 HA3 GLY 8 HA2 GLY 8 54.282 13.234 0.127
69 H ALA 9 HN ALA 9 53.017 10.076 0.248
70 HA ALA 9 HA ALA 9 50.929 9.158 -0.069
71 HB1 ALA 9 HB1 ALA 9 49.101 10.520 1.006
72 HB2 ALA 9 HB2 ALA 9 50.276 11.846 1.181
73 HB3 ALA 9 HB3 ALA 9 50.548 10.297 2.016
74 H ILE 10 HN ILE 10 51.821 9.996 -2.452
75 HA ILE 10 HA ILE 10 51.261 10.985 -4.492
76 HB ILE 10 HB ILE 10 48.738 10.235 -5.108
77 HG12 ILE 10 HG12 ILE 10 49.412 8.552 -2.642
78 HG13 ILE 10 HG11 ILE 10 48.132 9.778 -2.724
79 HG21 ILE 10 HG21 ILE 10 49.591 8.047 -5.741
80 HG22 ILE 10 HG22 ILE 10 50.894 8.151 -4.532
81 HG23 ILE 10 HG23 ILE 10 50.903 9.225 -5.952
82 HD11 ILE 10 HD1 ILE 10 48.263 7.073 -4.075
83 HD12 ILE 10 HD2 ILE 10 47.290 8.373 -4.807
84 HD13 ILE 10 HD3 ILE 10 46.929 7.809 -3.159
85 H HIS 11 HN HIS 11 47.885 11.253 -3.599
86 HA HIS 11 HA HIS 11 47.558 13.854 -4.517
87 HB2 HIS 11 HB2 HIS 11 45.537 13.957 -3.137
88 HB3 HIS 11 HB1 HIS 11 45.706 12.345 -3.870
89 HD1 HIS 11 HD1 HIS 11 46.061 10.337 -2.327
90 HD2 HIS 11 HD2 HIS 11 46.257 14.016 -0.302
91 HE1 HIS 11 HE1 HIS 11 46.051 9.829 0.177
92 H GLY 12 HN GLY 12 49.399 12.880 -1.775
93 HA2 GLY 12 HA1 GLY 12 48.998 15.410 -0.301
94 HA3 GLY 12 HA2 GLY 12 50.134 14.108 0.098
95 H GLY 13 HN GLY 13 50.141 15.047 -3.172
96 HA2 GLY 13 HA1 GLY 13 52.004 17.260 -2.976
97 HA3 GLY 13 HA2 GLY 13 52.827 15.728 -3.336
98 H ARG 14 HN ARG 14 50.001 15.046 -4.598
99 HA ARG 14 HA ARG 14 50.766 16.073 -7.310
100 HB2 ARG 14 HB2 ARG 14 50.383 13.555 -6.652
101 HB3 ARG 14 HB1 ARG 14 48.657 13.961 -6.736
102 HG2 ARG 14 HG2 ARG 14 50.658 14.453 -8.997
103 HG3 ARG 14 HG1 ARG 14 49.594 13.036 -8.887
104 HD2 ARG 14 HD2 ARG 14 47.648 14.775 -8.700
105 HD3 ARG 14 HD1 ARG 14 48.838 15.937 -9.331
106 HE ARG 14 HE ARG 14 48.994 13.773 -11.075
107 HH11 ARG 14 HH11 ARG 14 46.459 15.719 -9.786
108 HH12 ARG 14 HH12 ARG 14 45.519 15.692 -11.241
109 HH21 ARG 14 HH21 ARG 14 47.816 13.785 -13.005
110 HH22 ARG 14 HH22 ARG 14 46.287 14.597 -13.064
111 H PHE 15 HN PHE 15 47.782 15.434 -5.391
112 HA PHE 15 HA PHE 15 46.032 16.946 -7.035
113 HB2 PHE 15 HB2 PHE 15 45.229 15.381 -5.337
114 HB3 PHE 15 HB1 PHE 15 45.914 16.391 -4.044
115 HD1 PHE 15 HD1 PHE 15 43.672 16.771 -7.067
116 HD2 PHE 15 HD2 PHE 15 44.423 17.865 -2.956
117 HE1 PHE 15 HE1 PHE 15 41.578 18.121 -7.040
118 HE2 PHE 15 HE2 PHE 15 42.330 19.212 -2.934
119 HZ PHE 15 HZ PHE 15 40.934 19.381 -4.991
120 H ILE 16 HN ILE 16 46.504 18.966 -7.660
121 HA ILE 16 HA ILE 16 47.356 21.156 -7.485
122 HB ILE 16 HB ILE 16 45.872 22.568 -5.995
123 HG12 ILE 16 HG12 ILE 16 44.502 19.889 -5.455
124 HG13 ILE 16 HG11 ILE 16 45.543 20.713 -4.276
125 HG21 ILE 16 HG21 ILE 16 44.400 20.539 -7.737
126 HG22 ILE 16 HG22 ILE 16 45.320 21.924 -8.372
127 HG23 ILE 16 HG23 ILE 16 43.885 22.200 -7.364
128 HD11 ILE 16 HD1 ILE 16 43.960 22.772 -4.655
129 HD12 ILE 16 HD2 ILE 16 43.369 21.417 -3.666
130 HD13 ILE 16 HD3 ILE 16 42.841 21.578 -5.355
131 H HIS 17 HN HIS 17 49.277 19.869 -6.374
132 HA HIS 17 HA HIS 17 50.062 21.588 -4.080
133 HB2 HIS 17 HB2 HIS 17 49.060 19.499 -3.090
134 HB3 HIS 17 HB1 HIS 17 50.287 18.555 -3.963
135 HD1 HIS 17 HD1 HIS 17 52.894 19.462 -3.483
136 HD2 HIS 17 HD2 HIS 17 49.943 20.281 -0.599
137 HE1 HIS 17 HE1 HIS 17 54.098 20.032 -1.302
138 H GLY 18 HN GLY 18 50.703 19.288 -6.665
139 HA2 GLY 18 HA1 GLY 18 53.482 19.048 -6.626
140 HA3 GLY 18 HA2 GLY 18 52.523 19.230 -8.118
141 H MET 19 HN MET 19 51.461 21.741 -7.501
142 HA MET 19 HA MET 19 52.795 23.906 -6.896
143 HB2 MET 19 HB2 MET 19 54.316 22.708 -9.164
144 HB3 MET 19 HB1 MET 19 54.108 24.463 -9.172
145 HG2 MET 19 HG2 MET 19 55.530 24.798 -7.380
146 HG3 MET 19 HG1 MET 19 55.039 23.307 -6.553
147 HE1 MET 19 HE1 MET 19 57.670 23.222 -5.935
148 HE2 MET 19 HE2 MET 19 57.945 24.648 -6.966
149 HE3 MET 19 HE3 MET 19 58.961 23.200 -7.161
150 H ILE 20 HN ILE 20 50.429 22.466 -8.056
151 HA ILE 20 HA ILE 20 48.587 23.086 -9.307
152 HB ILE 20 HB ILE 20 49.772 25.890 -8.936
153 HG12 ILE 20 HG12 ILE 20 47.790 26.178 -7.485
154 HG13 ILE 20 HG11 ILE 20 47.265 24.521 -7.862
155 HG21 ILE 20 HG21 ILE 20 47.317 24.977 -10.479
156 HG22 ILE 20 HG22 ILE 20 48.623 26.058 -11.021
157 HG23 ILE 20 HG23 ILE 20 47.453 26.620 -9.806
158 HD11 ILE 20 HD1 ILE 20 50.024 25.036 -6.695
159 HD12 ILE 20 HD2 ILE 20 49.051 23.545 -6.654
160 HD13 ILE 20 HD3 ILE 20 48.594 24.932 -5.641
161 H GLN 21 HN GLN 21 51.824 23.320 -10.017
162 HA GLN 21 HA GLN 21 51.334 23.688 -13.002
163 HB2 GLN 21 HB2 GLN 21 53.004 25.182 -11.688
164 HB3 GLN 21 HB1 GLN 21 54.027 23.733 -11.586
165 HG2 GLN 21 HG2 GLN 21 52.950 24.892 -14.201
166 HG3 GLN 21 HG1 GLN 21 54.570 25.223 -13.548
167 HE21 GLN 21 HE21 GLN 21 53.555 23.631 -16.035
168 HE22 GLN 21 HE22 GLN 21 54.407 22.090 -15.886
169 H ASN 22 HN ASN 22 52.873 21.621 -10.479
170 HA ASN 22 HA ASN 22 53.518 19.588 -12.570
171 HB2 ASN 22 HB2 ASN 22 54.164 19.947 -9.627
172 HB3 ASN 22 HB1 ASN 22 54.364 18.361 -10.407
173 HD21 ASN 22 HD21 ASN 22 56.569 18.124 -10.816
174 HD22 ASN 22 HD22 ASN 22 57.574 19.367 -11.569
175 H HIS 23 HN HIS 23 51.185 20.454 -10.140
176 HA HIS 23 HA HIS 23 50.021 17.975 -9.497
177 HB2 HIS 23 HB2 HIS 23 49.114 19.851 -8.396
178 HB3 HIS 23 HB1 HIS 23 48.926 20.767 -9.905
179 HD1 HIS 23 HD1 HIS 23 47.632 17.255 -8.982
180 HD2 HIS 23 HD2 HIS 23 46.217 20.964 -10.346
181 HE1 HIS 23 HE1 HIS 23 45.112 17.030 -9.322
182 H HIS 24 HN HIS 24 49.619 19.977 -12.424
183 HA HIS 24 HA HIS 24 48.544 19.521 -14.436
184 HB2 HIS 24 HB2 HIS 24 49.724 16.801 -13.761
185 HB3 HIS 24 HB1 HIS 24 49.026 17.215 -15.344
186 HD1 HIS 24 HD1 HIS 24 50.066 20.100 -15.689
187 HD2 HIS 24 HD2 HIS 24 52.450 16.932 -14.285
188 HE1 HIS 24 HE1 HIS 24 52.501 20.713 -16.159
Start of MODEL 43
1 H1 PHE 1 HT1 PHE 1 48.711 -0.113 -2.373
2 H2 PHE 1 HT2 PHE 1 50.055 -1.059 -1.942
3 H3 PHE 1 HT3 PHE 1 48.501 -1.745 -1.972
4 HA PHE 1 HA PHE 1 50.097 -2.194 -3.888
5 HB2 PHE 1 HB2 PHE 1 47.661 -2.793 -3.752
6 HB3 PHE 1 HB1 PHE 1 47.277 -1.203 -4.454
7 HD1 PHE 1 HD1 PHE 1 49.186 -4.375 -5.062
8 HD2 PHE 1 HD2 PHE 1 47.434 -0.840 -6.814
9 HE1 PHE 1 HE1 PHE 1 49.615 -5.290 -7.339
10 HE2 PHE 1 HE2 PHE 1 47.862 -1.756 -9.090
11 HZ PHE 1 HZ PHE 1 48.884 -4.015 -9.350
12 H LEU 2 HN LEU 2 50.041 0.849 -2.934
13 HA LEU 2 HA LEU 2 49.893 2.270 -5.490
14 HB2 LEU 2 HB2 LEU 2 51.232 3.274 -2.955
15 HB3 LEU 2 HB1 LEU 2 50.430 4.213 -4.238
16 HG LEU 2 HG LEU 2 49.073 2.308 -2.278
17 HD11 LEU 2 HD11 LEU 2 48.002 4.386 -1.451
18 HD12 LEU 2 HD12 LEU 2 48.957 5.339 -2.612
19 HD13 LEU 2 HD13 LEU 2 49.773 4.467 -1.293
20 HD21 LEU 2 HD21 LEU 2 46.972 3.367 -3.356
21 HD22 LEU 2 HD22 LEU 2 47.845 2.166 -4.333
22 HD23 LEU 2 HD23 LEU 2 48.050 3.903 -4.667
23 H GLY 3 HN GLY 3 51.751 -0.058 -5.260
24 HA2 GLY 3 HA1 GLY 3 53.901 -0.596 -5.915
25 HA3 GLY 3 HA2 GLY 3 53.887 0.945 -6.796
26 H ALA 4 HN ALA 4 54.847 2.770 -5.923
27 HA ALA 4 HA ALA 4 56.964 2.193 -3.979
28 HB1 ALA 4 HB1 ALA 4 56.148 4.890 -5.102
29 HB2 ALA 4 HB2 ALA 4 57.150 3.725 -6.000
30 HB3 ALA 4 HB3 ALA 4 57.734 4.403 -4.461
31 H LEU 5 HN LEU 5 56.661 5.126 -3.061
32 HA LEU 5 HA LEU 5 54.293 5.145 -1.385
33 HB2 LEU 5 HB2 LEU 5 55.489 5.008 0.797
34 HB3 LEU 5 HB1 LEU 5 55.482 3.471 -0.087
35 HG LEU 5 HG LEU 5 57.813 5.443 -0.258
36 HD11 LEU 5 HD11 LEU 5 57.477 3.089 1.654
37 HD12 LEU 5 HD12 LEU 5 57.450 4.810 2.110
38 HD13 LEU 5 HD13 LEU 5 58.942 4.084 1.468
39 HD21 LEU 5 HD21 LEU 5 58.975 3.071 -0.674
40 HD22 LEU 5 HD22 LEU 5 58.124 3.882 -1.998
41 HD23 LEU 5 HD23 LEU 5 57.329 2.563 -1.111
42 H ILE 6 HN ILE 6 55.201 6.951 -3.203
43 HA ILE 6 HA ILE 6 55.852 9.288 -1.406
44 HB ILE 6 HB ILE 6 57.238 9.107 -4.127
45 HG12 ILE 6 HG12 ILE 6 58.234 7.829 -1.538
46 HG13 ILE 6 HG11 ILE 6 57.860 6.989 -3.061
47 HG21 ILE 6 HG21 ILE 6 58.716 10.709 -3.172
48 HG22 ILE 6 HG22 ILE 6 58.247 10.285 -1.507
49 HG23 ILE 6 HG23 ILE 6 57.117 11.176 -2.551
50 HD11 ILE 6 HD1 ILE 6 59.623 8.536 -4.153
51 HD12 ILE 6 HD2 ILE 6 60.228 7.253 -3.078
52 HD13 ILE 6 HD3 ILE 6 60.127 8.930 -2.492
53 H LYS 7 HN LYS 7 56.281 10.771 -4.106
54 HA LYS 7 HA LYS 7 54.827 12.273 -5.138
55 HB2 LYS 7 HB2 LYS 7 53.994 10.046 -6.261
56 HB3 LYS 7 HB1 LYS 7 52.676 10.106 -5.072
57 HG2 LYS 7 HG2 LYS 7 51.712 11.227 -6.905
58 HG3 LYS 7 HG1 LYS 7 52.340 12.582 -5.942
59 HD2 LYS 7 HD2 LYS 7 54.315 12.750 -7.371
60 HD3 LYS 7 HD1 LYS 7 53.856 11.271 -8.249
61 HE2 LYS 7 HE2 LYS 7 51.818 12.363 -9.080
62 HE3 LYS 7 HE1 LYS 7 52.204 13.831 -8.150
63 HZ1 LYS 7 HZ1 LYS 7 52.890 13.582 -10.660
64 HZ2 LYS 7 HZ2 LYS 7 54.230 12.776 -9.996
65 HZ3 LYS 7 HZ3 LYS 7 53.896 14.382 -9.553
66 H GLY 8 HN GLY 8 55.275 11.569 -2.564
67 HA2 GLY 8 HA1 GLY 8 54.646 11.549 -0.427
68 HA3 GLY 8 HA2 GLY 8 54.173 13.249 -0.809
69 H ALA 9 HN ALA 9 53.128 9.932 -0.384
70 HA ALA 9 HA ALA 9 51.057 8.987 -0.015
71 HB1 ALA 9 HB1 ALA 9 49.510 10.351 1.415
72 HB2 ALA 9 HB2 ALA 9 50.618 11.730 1.214
73 HB3 ALA 9 HB3 ALA 9 51.171 10.254 2.041
74 H ILE 10 HN ILE 10 50.963 9.147 -2.451
75 HA ILE 10 HA ILE 10 49.663 9.410 -4.322
76 HB ILE 10 HB ILE 10 47.669 9.980 -2.139
77 HG12 ILE 10 HG12 ILE 10 48.231 7.726 -3.308
78 HG13 ILE 10 HG11 ILE 10 46.524 8.125 -3.032
79 HG21 ILE 10 HG21 ILE 10 47.222 10.973 -4.972
80 HG22 ILE 10 HG22 ILE 10 46.955 11.829 -3.433
81 HG23 ILE 10 HG23 ILE 10 45.876 10.502 -3.910
82 HD11 ILE 10 HD1 ILE 10 46.146 8.635 -5.320
83 HD12 ILE 10 HD2 ILE 10 47.205 7.210 -5.378
84 HD13 ILE 10 HD3 ILE 10 47.879 8.827 -5.665
85 H HIS 11 HN HIS 11 48.782 12.298 -2.358
86 HA HIS 11 HA HIS 11 50.303 14.018 -4.243
87 HB2 HIS 11 HB2 HIS 11 47.992 13.767 -5.219
88 HB3 HIS 11 HB1 HIS 11 47.336 14.453 -3.713
89 HD1 HIS 11 HD1 HIS 11 47.915 16.962 -3.154
90 HD2 HIS 11 HD2 HIS 11 49.103 15.662 -6.972
91 HE1 HIS 11 HE1 HIS 11 48.528 19.038 -4.509
92 H GLY 12 HN GLY 12 49.331 13.071 -1.242
93 HA2 GLY 12 HA1 GLY 12 50.481 14.223 0.638
94 HA3 GLY 12 HA2 GLY 12 49.941 15.773 -0.039
95 H GLY 13 HN GLY 13 47.814 13.012 -0.163
96 HA2 GLY 13 HA1 GLY 13 45.843 12.552 0.957
97 HA3 GLY 13 HA2 GLY 13 46.530 13.371 2.373
98 H ARG 14 HN ARG 14 45.221 14.154 -0.881
99 HA ARG 14 HA ARG 14 43.222 15.923 0.284
100 HB2 ARG 14 HB2 ARG 14 45.504 17.214 0.353
101 HB3 ARG 14 HB1 ARG 14 45.313 17.342 -1.405
102 HG2 ARG 14 HG2 ARG 14 44.365 19.343 -0.430
103 HG3 ARG 14 HG1 ARG 14 43.015 18.349 -1.011
104 HD2 ARG 14 HD2 ARG 14 42.266 17.875 1.151
105 HD3 ARG 14 HD1 ARG 14 43.896 17.973 1.859
106 HE ARG 14 HE ARG 14 43.200 20.573 0.953
107 HH11 ARG 14 HH11 ARG 14 44.109 20.247 3.691
108 HH12 ARG 14 HH12 ARG 14 42.678 20.489 4.636
109 HH21 ARG 14 HH21 ARG 14 40.516 20.004 1.969
110 HH22 ARG 14 HH22 ARG 14 40.644 20.352 3.661
111 H PHE 15 HN PHE 15 44.488 13.976 -2.094
112 HA PHE 15 HA PHE 15 42.930 15.150 -4.346
113 HB2 PHE 15 HB2 PHE 15 45.200 14.034 -4.645
114 HB3 PHE 15 HB1 PHE 15 44.415 12.491 -4.233
115 HD1 PHE 15 HD1 PHE 15 43.500 11.211 -6.003
116 HD2 PHE 15 HD2 PHE 15 43.923 15.481 -6.485
117 HE1 PHE 15 HE1 PHE 15 42.691 11.027 -8.352
118 HE2 PHE 15 HE2 PHE 15 43.117 15.295 -8.835
119 HZ PHE 15 HZ PHE 15 42.562 13.060 -9.787
120 H ILE 16 HN ILE 16 42.924 12.486 -2.047
121 HA ILE 16 HA ILE 16 40.030 12.138 -2.364
122 HB ILE 16 HB ILE 16 40.331 9.583 -2.681
123 HG12 ILE 16 HG12 ILE 16 43.024 10.555 -3.759
124 HG13 ILE 16 HG11 ILE 16 42.801 9.580 -2.291
125 HG21 ILE 16 HG21 ILE 16 40.189 9.750 -5.067
126 HG22 ILE 16 HG22 ILE 16 41.162 11.238 -5.100
127 HG23 ILE 16 HG23 ILE 16 39.507 11.269 -4.446
128 HD11 ILE 16 HD1 ILE 16 42.337 8.784 -5.181
129 HD12 ILE 16 HD2 ILE 16 41.554 7.894 -3.851
130 HD13 ILE 16 HD3 ILE 16 43.328 7.973 -3.948
131 H HIS 17 HN HIS 17 40.824 13.124 -0.224
132 HA HIS 17 HA HIS 17 40.826 10.920 1.766
133 HB2 HIS 17 HB2 HIS 17 43.246 11.421 1.320
134 HB3 HIS 17 HB1 HIS 17 42.949 13.103 1.822
135 HD1 HIS 17 HD1 HIS 17 42.902 13.613 4.297
136 HD2 HIS 17 HD2 HIS 17 42.829 9.488 3.482
137 HE1 HIS 17 HE1 HIS 17 43.130 12.392 6.530
138 H GLY 18 HN GLY 18 40.411 14.267 0.785
139 HA2 GLY 18 HA1 GLY 18 39.757 15.486 3.243
140 HA3 GLY 18 HA2 GLY 18 38.999 15.881 1.673
141 H MET 19 HN MET 19 37.747 13.821 0.914
142 HA MET 19 HA MET 19 36.177 12.367 2.701
143 HB2 MET 19 HB2 MET 19 35.352 14.688 3.364
144 HB3 MET 19 HB1 MET 19 34.690 14.783 1.725
145 HG2 MET 19 HG2 MET 19 33.053 13.146 2.153
146 HG3 MET 19 HG1 MET 19 33.989 12.397 3.467
147 HE1 MET 19 HE1 MET 19 31.720 12.350 4.986
148 HE2 MET 19 HE2 MET 19 31.011 12.936 3.462
149 HE3 MET 19 HE3 MET 19 30.615 13.745 4.997
150 H ILE 20 HN ILE 20 37.557 12.728 0.044
151 HA ILE 20 HA ILE 20 37.189 11.940 -2.100
152 HB ILE 20 HB ILE 20 34.563 10.681 -1.162
153 HG12 ILE 20 HG12 ILE 20 36.128 9.841 0.437
154 HG13 ILE 20 HG11 ILE 20 35.999 8.573 -0.796
155 HG21 ILE 20 HG21 ILE 20 36.496 10.173 -3.455
156 HG22 ILE 20 HG22 ILE 20 34.774 10.593 -3.524
157 HG23 ILE 20 HG23 ILE 20 35.271 8.984 -2.960
158 HD11 ILE 20 HD1 ILE 20 38.342 8.829 -0.307
159 HD12 ILE 20 HD2 ILE 20 38.248 10.599 -0.430
160 HD13 ILE 20 HD3 ILE 20 38.086 9.595 -1.889
161 H GLN 21 HN GLN 21 35.337 13.880 -0.134
162 HA GLN 21 HA GLN 21 33.919 15.109 -2.545
163 HB2 GLN 21 HB2 GLN 21 32.833 14.742 0.275
164 HB3 GLN 21 HB1 GLN 21 32.057 15.705 -1.004
165 HG2 GLN 21 HG2 GLN 21 32.781 12.766 -1.348
166 HG3 GLN 21 HG1 GLN 21 31.194 13.311 -0.757
167 HE21 GLN 21 HE21 GLN 21 31.110 11.897 -3.113
168 HE22 GLN 21 HE22 GLN 21 30.851 12.987 -4.478
169 H ASN 22 HN ASN 22 35.953 15.503 0.290
170 HA ASN 22 HA ASN 22 35.658 18.501 0.069
171 HB2 ASN 22 HB2 ASN 22 36.710 16.696 2.280
172 HB3 ASN 22 HB1 ASN 22 36.932 18.460 2.269
173 HD21 ASN 22 HD21 ASN 22 33.997 17.523 0.715
174 HD22 ASN 22 HD22 ASN 22 32.916 17.842 2.077
175 H HIS 23 HN HIS 23 37.532 15.776 -0.698
176 HA HIS 23 HA HIS 23 40.189 16.425 -0.524
177 HB2 HIS 23 HB2 HIS 23 40.487 15.314 -2.728
178 HB3 HIS 23 HB1 HIS 23 39.362 14.428 -1.674
179 HD1 HIS 23 HD1 HIS 23 36.748 15.899 -2.046
180 HD2 HIS 23 HD2 HIS 23 39.386 15.218 -5.250
181 HE1 HIS 23 HE1 HIS 23 35.375 15.989 -4.198
182 H HIS 24 HN HIS 24 41.029 18.433 -0.630
183 HA HIS 24 HA HIS 24 41.658 20.473 -1.533
184 HB2 HIS 24 HB2 HIS 24 42.565 18.917 -3.296
185 HB3 HIS 24 HB1 HIS 24 41.063 19.170 -4.217
186 HD1 HIS 24 HD1 HIS 24 41.065 21.098 -5.803
187 HD2 HIS 24 HD2 HIS 24 43.959 21.527 -2.781
188 HE1 HIS 24 HE1 HIS 24 42.365 23.244 -6.290
Start of MODEL 44
1 H1 PHE 1 HT1 PHE 1 56.664 -2.960 -8.237
2 H2 PHE 1 HT2 PHE 1 55.935 -1.470 -8.605
3 H3 PHE 1 HT3 PHE 1 55.689 -2.188 -7.085
4 HA PHE 1 HA PHE 1 57.966 -1.916 -6.512
5 HB2 PHE 1 HB2 PHE 1 59.415 -0.567 -8.070
6 HB3 PHE 1 HB1 PHE 1 58.986 -2.180 -8.689
7 HD1 PHE 1 HD1 PHE 1 56.972 -2.381 -10.276
8 HD2 PHE 1 HD2 PHE 1 58.829 1.393 -9.303
9 HE1 PHE 1 HE1 PHE 1 55.935 -1.350 -12.293
10 HE2 PHE 1 HE2 PHE 1 57.791 2.421 -11.320
11 HZ PHE 1 HZ PHE 1 56.292 1.068 -12.777
12 H LEU 2 HN LEU 2 57.213 -0.646 -4.901
13 HA LEU 2 HA LEU 2 56.562 1.294 -3.808
14 HB2 LEU 2 HB2 LEU 2 57.693 2.843 -6.163
15 HB3 LEU 2 HB1 LEU 2 57.641 3.312 -4.447
16 HG LEU 2 HG LEU 2 59.304 1.062 -5.663
17 HD11 LEU 2 HD11 LEU 2 61.207 2.484 -4.914
18 HD12 LEU 2 HD12 LEU 2 60.051 3.724 -4.370
19 HD13 LEU 2 HD13 LEU 2 60.182 3.325 -6.100
20 HD21 LEU 2 HD21 LEU 2 58.813 1.943 -2.787
21 HD22 LEU 2 HD22 LEU 2 60.277 1.048 -3.260
22 HD23 LEU 2 HD23 LEU 2 58.675 0.308 -3.481
23 H GLY 3 HN GLY 3 54.349 1.090 -3.883
24 HA2 GLY 3 HA1 GLY 3 52.835 1.873 -6.250
25 HA3 GLY 3 HA2 GLY 3 52.184 1.457 -4.652
26 H ALA 4 HN ALA 4 54.221 4.026 -6.126
27 HA ALA 4 HA ALA 4 54.157 6.325 -5.831
28 HB1 ALA 4 HB1 ALA 4 51.202 5.875 -5.302
29 HB2 ALA 4 HB2 ALA 4 51.936 5.948 -6.923
30 HB3 ALA 4 HB3 ALA 4 51.979 7.375 -5.860
31 H LEU 5 HN LEU 5 55.094 5.028 -3.628
32 HA LEU 5 HA LEU 5 53.639 5.735 -1.218
33 HB2 LEU 5 HB2 LEU 5 56.471 4.831 -1.830
34 HB3 LEU 5 HB1 LEU 5 56.014 5.329 -0.184
35 HG LEU 5 HG LEU 5 54.262 3.630 -0.101
36 HD11 LEU 5 HD11 LEU 5 53.427 3.570 -2.342
37 HD12 LEU 5 HD12 LEU 5 54.148 1.967 -2.069
38 HD13 LEU 5 HD13 LEU 5 55.031 3.191 -3.014
39 HD21 LEU 5 HD21 LEU 5 56.782 2.375 -1.273
40 HD22 LEU 5 HD22 LEU 5 55.653 1.642 -0.108
41 HD23 LEU 5 HD23 LEU 5 56.675 3.013 0.385
42 H ILE 6 HN ILE 6 56.160 7.276 -3.193
43 HA ILE 6 HA ILE 6 56.364 9.549 -1.236
44 HB ILE 6 HB ILE 6 57.671 9.616 -3.998
45 HG12 ILE 6 HG12 ILE 6 58.554 7.820 -1.690
46 HG13 ILE 6 HG11 ILE 6 58.051 7.293 -3.313
47 HG21 ILE 6 HG21 ILE 6 59.349 10.861 -2.865
48 HG22 ILE 6 HG22 ILE 6 58.886 10.216 -1.270
49 HG23 ILE 6 HG23 ILE 6 57.838 11.394 -2.093
50 HD11 ILE 6 HD1 ILE 6 60.547 8.840 -2.527
51 HD12 ILE 6 HD2 ILE 6 59.968 8.776 -4.211
52 HD13 ILE 6 HD3 ILE 6 60.436 7.277 -3.370
53 H LYS 7 HN LYS 7 56.885 11.406 -3.613
54 HA LYS 7 HA LYS 7 55.547 13.168 -4.364
55 HB2 LYS 7 HB2 LYS 7 53.446 10.988 -4.849
56 HB3 LYS 7 HB1 LYS 7 53.420 12.634 -5.530
57 HG2 LYS 7 HG2 LYS 7 55.344 12.212 -6.894
58 HG3 LYS 7 HG1 LYS 7 55.728 10.710 -6.020
59 HD2 LYS 7 HD2 LYS 7 54.688 10.180 -8.185
60 HD3 LYS 7 HD1 LYS 7 53.609 9.699 -6.855
61 HE2 LYS 7 HE2 LYS 7 53.335 12.437 -8.146
62 HE3 LYS 7 HE1 LYS 7 52.584 11.003 -8.882
63 HZ1 LYS 7 HZ1 LYS 7 50.962 11.120 -7.404
64 HZ2 LYS 7 HZ2 LYS 7 51.653 12.517 -6.728
65 HZ3 LYS 7 HZ3 LYS 7 52.062 10.985 -6.120
66 H GLY 8 HN GLY 8 55.837 11.963 -1.957
67 HA2 GLY 8 HA1 GLY 8 55.128 11.595 0.112
68 HA3 GLY 8 HA2 GLY 8 54.678 13.342 0.031
69 H ALA 9 HN ALA 9 53.599 10.013 -0.275
70 HA ALA 9 HA ALA 9 51.528 9.032 -0.071
71 HB1 ALA 9 HB1 ALA 9 51.595 10.368 2.079
72 HB2 ALA 9 HB2 ALA 9 49.965 9.989 1.473
73 HB3 ALA 9 HB3 ALA 9 50.643 11.619 1.245
74 H ILE 10 HN ILE 10 51.787 9.603 -2.514
75 HA ILE 10 HA ILE 10 50.690 10.060 -4.469
76 HB ILE 10 HB ILE 10 48.443 9.962 -2.498
77 HG12 ILE 10 HG12 ILE 10 49.343 8.123 -4.092
78 HG13 ILE 10 HG11 ILE 10 47.583 8.301 -3.938
79 HG21 ILE 10 HG21 ILE 10 48.095 11.550 -5.067
80 HG22 ILE 10 HG22 ILE 10 47.650 12.013 -3.406
81 HG23 ILE 10 HG23 ILE 10 46.742 10.738 -4.245
82 HD11 ILE 10 HD1 ILE 10 49.124 9.724 -6.144
83 HD12 ILE 10 HD2 ILE 10 47.386 9.363 -6.059
84 HD13 ILE 10 HD3 ILE 10 48.556 8.051 -6.331
85 H HIS 11 HN HIS 11 49.339 12.489 -2.170
86 HA HIS 11 HA HIS 11 50.781 14.628 -3.653
87 HB2 HIS 11 HB2 HIS 11 47.752 14.442 -3.371
88 HB3 HIS 11 HB1 HIS 11 48.613 15.950 -3.765
89 HD1 HIS 11 HD1 HIS 11 46.768 13.546 -5.483
90 HD2 HIS 11 HD2 HIS 11 50.617 15.127 -6.092
91 HE1 HIS 11 HE1 HIS 11 47.407 13.084 -7.914
92 H GLY 12 HN GLY 12 49.733 13.127 -0.885
93 HA2 GLY 12 HA1 GLY 12 50.876 14.372 1.111
94 HA3 GLY 12 HA2 GLY 12 49.692 15.646 0.750
95 H GLY 13 HN GLY 13 48.577 12.502 0.040
96 HA2 GLY 13 HA1 GLY 13 47.042 11.127 1.087
97 HA3 GLY 13 HA2 GLY 13 47.682 11.696 2.643
98 H ARG 14 HN ARG 14 45.642 12.803 -0.099
99 HA ARG 14 HA ARG 14 43.485 13.503 1.727
100 HB2 ARG 14 HB2 ARG 14 45.378 15.405 1.771
101 HB3 ARG 14 HB1 ARG 14 44.576 15.923 0.275
102 HG2 ARG 14 HG2 ARG 14 43.289 15.577 3.023
103 HG3 ARG 14 HG1 ARG 14 43.577 17.107 2.162
104 HD2 ARG 14 HD2 ARG 14 42.105 16.066 0.266
105 HD3 ARG 14 HD1 ARG 14 41.581 14.915 1.519
106 HE ARG 14 HE ARG 14 40.280 16.650 2.431
107 HH11 ARG 14 HH11 ARG 14 41.069 17.978 -0.357
108 HH12 ARG 14 HH12 ARG 14 41.366 19.591 0.197
109 HH21 ARG 14 HH21 ARG 14 41.440 18.710 3.550
110 HH22 ARG 14 HH22 ARG 14 41.577 20.006 2.408
111 H PHE 15 HN PHE 15 44.968 14.128 -1.487
112 HA PHE 15 HA PHE 15 42.625 14.724 -2.922
113 HB2 PHE 15 HB2 PHE 15 45.189 13.285 -3.676
114 HB3 PHE 15 HB1 PHE 15 43.893 13.518 -4.872
115 HD1 PHE 15 HD1 PHE 15 43.832 15.541 -6.103
116 HD2 PHE 15 HD2 PHE 15 45.888 15.448 -2.305
117 HE1 PHE 15 HE1 PHE 15 44.605 17.880 -6.461
118 HE2 PHE 15 HE2 PHE 15 46.660 17.785 -2.668
119 HZ PHE 15 HZ PHE 15 45.975 19.020 -4.721
120 H ILE 16 HN ILE 16 43.933 11.538 -1.973
121 HA ILE 16 HA ILE 16 41.237 10.383 -2.242
122 HB ILE 16 HB ILE 16 42.084 8.484 -3.711
123 HG12 ILE 16 HG12 ILE 16 44.347 10.487 -4.185
124 HG13 ILE 16 HG11 ILE 16 44.513 8.881 -3.446
125 HG21 ILE 16 HG21 ILE 16 40.689 10.515 -4.494
126 HG22 ILE 16 HG22 ILE 16 41.581 9.632 -5.750
127 HG23 ILE 16 HG23 ILE 16 42.212 11.176 -5.132
128 HD11 ILE 16 HD1 ILE 16 43.869 9.580 -6.327
129 HD12 ILE 16 HD2 ILE 16 43.470 7.977 -5.661
130 HD13 ILE 16 HD3 ILE 16 45.161 8.532 -5.698
131 H HIS 17 HN HIS 17 42.238 10.664 0.065
132 HA HIS 17 HA HIS 17 42.778 7.960 0.988
133 HB2 HIS 17 HB2 HIS 17 45.070 8.734 0.197
134 HB3 HIS 17 HB1 HIS 17 44.988 10.001 1.443
135 HD1 HIS 17 HD1 HIS 17 44.660 6.175 1.182
136 HD2 HIS 17 HD2 HIS 17 45.980 9.131 3.863
137 HE1 HIS 17 HE1 HIS 17 45.585 4.978 3.242
138 H GLY 18 HN GLY 18 42.012 11.229 1.250
139 HA2 GLY 18 HA1 GLY 18 40.996 10.843 4.016
140 HA3 GLY 18 HA2 GLY 18 42.104 12.204 3.721
141 H MET 19 HN MET 19 39.502 10.695 1.826
142 HA MET 19 HA MET 19 37.555 12.803 2.099
143 HB2 MET 19 HB2 MET 19 39.286 13.977 0.879
144 HB3 MET 19 HB1 MET 19 39.215 12.736 -0.361
145 HG2 MET 19 HG2 MET 19 36.879 13.323 -0.865
146 HG3 MET 19 HG1 MET 19 36.876 14.505 0.464
147 HE1 MET 19 HE1 MET 19 36.172 16.480 -0.732
148 HE2 MET 19 HE2 MET 19 35.886 15.533 -2.211
149 HE3 MET 19 HE3 MET 19 36.783 17.067 -2.297
150 H ILE 20 HN ILE 20 38.989 10.769 -0.515
151 HA ILE 20 HA ILE 20 36.349 9.678 -1.209
152 HB ILE 20 HB ILE 20 39.226 8.838 -1.836
153 HG12 ILE 20 HG12 ILE 20 38.625 9.439 -4.108
154 HG13 ILE 20 HG11 ILE 20 36.909 9.591 -3.672
155 HG21 ILE 20 HG21 ILE 20 38.071 6.734 -1.626
156 HG22 ILE 20 HG22 ILE 20 38.111 7.104 -3.366
157 HG23 ILE 20 HG23 ILE 20 36.620 7.376 -2.432
158 HD11 ILE 20 HD1 ILE 20 37.293 11.570 -2.392
159 HD12 ILE 20 HD2 ILE 20 38.250 11.790 -3.878
160 HD13 ILE 20 HD3 ILE 20 39.054 11.309 -2.365
161 H GLN 21 HN GLN 21 38.450 9.731 1.279
162 HA GLN 21 HA GLN 21 37.411 7.245 2.556
163 HB2 GLN 21 HB2 GLN 21 40.128 8.605 2.793
164 HB3 GLN 21 HB1 GLN 21 39.538 7.362 3.922
165 HG2 GLN 21 HG2 GLN 21 39.210 5.819 1.956
166 HG3 GLN 21 HG1 GLN 21 39.980 7.046 0.922
167 HE21 GLN 21 HE21 GLN 21 41.709 5.371 0.517
168 HE22 GLN 21 HE22 GLN 21 42.972 5.162 1.735
169 H ASN 22 HN ASN 22 37.994 10.852 2.572
170 HA ASN 22 HA ASN 22 36.725 10.791 5.376
171 HB2 ASN 22 HB2 ASN 22 39.112 11.803 5.056
172 HB3 ASN 22 HB1 ASN 22 38.262 13.165 4.298
173 HD21 ASN 22 HD21 ASN 22 35.877 12.346 6.242
174 HD22 ASN 22 HD22 ASN 22 36.344 13.159 7.739
175 H HIS 23 HN HIS 23 35.435 10.735 2.643
176 HA HIS 23 HA HIS 23 33.416 12.768 3.279
177 HB2 HIS 23 HB2 HIS 23 35.056 14.153 2.062
178 HB3 HIS 23 HB1 HIS 23 35.019 13.010 0.699
179 HD1 HIS 23 HD1 HIS 23 31.676 12.976 1.889
180 HD2 HIS 23 HD2 HIS 23 33.920 15.772 -0.313
181 HE1 HIS 23 HE1 HIS 23 30.019 14.502 0.684
182 H HIS 24 HN HIS 24 33.570 12.188 -0.062
183 HA HIS 24 HA HIS 24 32.428 9.526 -0.118
184 HB2 HIS 24 HB2 HIS 24 30.514 10.714 0.911
185 HB3 HIS 24 HB1 HIS 24 30.495 11.855 -0.455
186 HD1 HIS 24 HD1 HIS 24 31.374 8.368 -1.370
187 HD2 HIS 24 HD2 HIS 24 27.850 10.632 -1.002
188 HE1 HIS 24 HE1 HIS 24 29.532 7.119 -2.625
Start of MODEL 45
1 H1 PHE 1 HT1 PHE 1 60.062 7.496 -10.693
2 H2 PHE 1 HT2 PHE 1 59.099 7.845 -12.048
3 H3 PHE 1 HT3 PHE 1 60.305 6.652 -12.143
4 HA PHE 1 HA PHE 1 57.637 6.372 -11.455
5 HB2 PHE 1 HB2 PHE 1 59.154 4.839 -12.781
6 HB3 PHE 1 HB1 PHE 1 59.904 4.352 -11.242
7 HD1 PHE 1 HD1 PHE 1 58.794 2.827 -9.744
8 HD2 PHE 1 HD2 PHE 1 56.686 4.443 -13.148
9 HE1 PHE 1 HE1 PHE 1 56.936 1.212 -9.361
10 HE2 PHE 1 HE2 PHE 1 54.828 2.830 -12.762
11 HZ PHE 1 HZ PHE 1 54.916 1.274 -10.818
12 H LEU 2 HN LEU 2 56.573 5.801 -9.616
13 HA LEU 2 HA LEU 2 57.748 6.569 -7.103
14 HB2 LEU 2 HB2 LEU 2 55.281 4.855 -7.591
15 HB3 LEU 2 HB1 LEU 2 55.667 5.759 -6.111
16 HG LEU 2 HG LEU 2 55.320 7.068 -8.848
17 HD11 LEU 2 HD11 LEU 2 53.315 6.766 -6.568
18 HD12 LEU 2 HD12 LEU 2 53.222 5.965 -8.155
19 HD13 LEU 2 HD13 LEU 2 53.070 7.735 -8.040
20 HD21 LEU 2 HD21 LEU 2 54.867 9.086 -7.265
21 HD22 LEU 2 HD22 LEU 2 56.548 8.542 -7.424
22 HD23 LEU 2 HD23 LEU 2 55.601 8.089 -5.988
23 H GLY 3 HN GLY 3 56.290 3.358 -7.715
24 HA2 GLY 3 HA1 GLY 3 56.955 1.268 -6.988
25 HA3 GLY 3 HA2 GLY 3 58.606 1.792 -7.373
26 H ALA 4 HN ALA 4 56.676 3.508 -5.002
27 HA ALA 4 HA ALA 4 57.582 2.001 -2.703
28 HB1 ALA 4 HB1 ALA 4 59.753 2.965 -3.359
29 HB2 ALA 4 HB2 ALA 4 59.182 3.639 -1.813
30 HB3 ALA 4 HB3 ALA 4 59.043 4.595 -3.306
31 H LEU 5 HN LEU 5 55.485 3.907 -4.199
32 HA LEU 5 HA LEU 5 53.828 5.396 -3.532
33 HB2 LEU 5 HB2 LEU 5 54.057 4.139 -0.778
34 HB3 LEU 5 HB1 LEU 5 52.600 4.718 -1.623
35 HG LEU 5 HG LEU 5 54.293 2.288 -2.356
36 HD11 LEU 5 HD11 LEU 5 52.713 2.085 -0.400
37 HD12 LEU 5 HD12 LEU 5 52.296 1.020 -1.764
38 HD13 LEU 5 HD13 LEU 5 51.378 2.521 -1.490
39 HD21 LEU 5 HD21 LEU 5 51.958 3.654 -3.760
40 HD22 LEU 5 HD22 LEU 5 52.379 1.949 -4.054
41 HD23 LEU 5 HD23 LEU 5 53.550 3.232 -4.434
42 H ILE 6 HN ILE 6 54.851 7.373 -3.667
43 HA ILE 6 HA ILE 6 55.378 8.668 -1.019
44 HB ILE 6 HB ILE 6 57.557 9.613 -1.796
45 HG12 ILE 6 HG12 ILE 6 57.289 7.629 -4.107
46 HG13 ILE 6 HG11 ILE 6 57.116 9.391 -4.261
47 HG21 ILE 6 HG21 ILE 6 58.886 7.674 -1.334
48 HG22 ILE 6 HG22 ILE 6 57.654 6.579 -2.006
49 HG23 ILE 6 HG23 ILE 6 57.352 7.427 -0.471
50 HD11 ILE 6 HD1 ILE 6 59.484 9.517 -3.180
51 HD12 ILE 6 HD2 ILE 6 59.371 8.985 -4.874
52 HD13 ILE 6 HD3 ILE 6 59.600 7.786 -3.580
53 H LYS 7 HN LYS 7 56.763 10.908 -2.632
54 HA LYS 7 HA LYS 7 55.870 12.977 -3.232
55 HB2 LYS 7 HB2 LYS 7 53.920 11.216 -4.814
56 HB3 LYS 7 HB1 LYS 7 53.962 12.988 -4.928
57 HG2 LYS 7 HG2 LYS 7 56.492 11.369 -5.410
58 HG3 LYS 7 HG1 LYS 7 55.288 11.549 -6.703
59 HD2 LYS 7 HD2 LYS 7 55.431 14.045 -6.435
60 HD3 LYS 7 HD1 LYS 7 56.730 13.810 -5.244
61 HE2 LYS 7 HE2 LYS 7 57.778 14.225 -7.382
62 HE3 LYS 7 HE1 LYS 7 57.993 12.499 -7.008
63 HZ1 LYS 7 HZ1 LYS 7 57.261 12.585 -9.221
64 HZ2 LYS 7 HZ2 LYS 7 56.065 13.744 -8.888
65 HZ3 LYS 7 HZ3 LYS 7 55.883 12.149 -8.333
66 H GLY 8 HN GLY 8 55.357 11.256 -1.209
67 HA2 GLY 8 HA1 GLY 8 54.044 10.564 0.449
68 HA3 GLY 8 HA2 GLY 8 53.851 12.341 0.713
69 H ALA 9 HN ALA 9 52.477 9.401 -0.564
70 HA ALA 9 HA ALA 9 50.390 8.850 -1.363
71 HB1 ALA 9 HB1 ALA 9 48.530 9.704 0.135
72 HB2 ALA 9 HB2 ALA 9 49.761 10.673 0.979
73 HB3 ALA 9 HB3 ALA 9 49.874 8.897 0.974
74 H ILE 10 HN ILE 10 51.569 10.774 -2.924
75 HA ILE 10 HA ILE 10 51.200 12.678 -4.215
76 HB ILE 10 HB ILE 10 48.944 12.426 -5.563
77 HG12 ILE 10 HG12 ILE 10 48.063 10.749 -3.719
78 HG13 ILE 10 HG11 ILE 10 47.741 10.416 -5.421
79 HG21 ILE 10 HG21 ILE 10 51.227 10.413 -5.636
80 HG22 ILE 10 HG22 ILE 10 51.065 11.925 -6.556
81 HG23 ILE 10 HG23 ILE 10 49.989 10.555 -6.908
82 HD11 ILE 10 HD1 ILE 10 50.125 9.211 -3.948
83 HD12 ILE 10 HD2 ILE 10 49.458 8.736 -5.521
84 HD13 ILE 10 HD3 ILE 10 48.537 8.425 -4.034
85 H HIS 11 HN HIS 11 47.716 12.421 -3.764
86 HA HIS 11 HA HIS 11 47.404 15.162 -3.241
87 HB2 HIS 11 HB2 HIS 11 45.574 13.031 -2.099
88 HB3 HIS 11 HB1 HIS 11 45.162 14.674 -2.647
89 HD1 HIS 11 HD1 HIS 11 44.847 11.305 -3.732
90 HD2 HIS 11 HD2 HIS 11 45.960 14.885 -5.635
91 HE1 HIS 11 HE1 HIS 11 44.597 10.940 -6.248
92 H GLY 12 HN GLY 12 48.983 12.918 -1.247
93 HA2 GLY 12 HA1 GLY 12 48.023 13.788 1.324
94 HA3 GLY 12 HA2 GLY 12 49.599 13.040 0.994
95 H GLY 13 HN GLY 13 49.388 15.528 -1.102
96 HA2 GLY 13 HA1 GLY 13 50.020 17.753 0.688
97 HA3 GLY 13 HA2 GLY 13 51.430 17.091 -0.167
98 H ARG 14 HN ARG 14 49.813 16.302 -2.526
99 HA ARG 14 HA ARG 14 50.051 18.835 -3.934
100 HB2 ARG 14 HB2 ARG 14 50.555 16.738 -5.073
101 HB3 ARG 14 HB1 ARG 14 48.913 16.133 -4.769
102 HG2 ARG 14 HG2 ARG 14 49.208 16.987 -7.100
103 HG3 ARG 14 HG1 ARG 14 47.960 17.883 -6.212
104 HD2 ARG 14 HD2 ARG 14 49.337 19.793 -5.964
105 HD3 ARG 14 HD1 ARG 14 50.833 18.870 -6.253
106 HE ARG 14 HE ARG 14 50.527 19.396 -8.521
107 HH11 ARG 14 HH11 ARG 14 48.133 21.168 -7.550
108 HH12 ARG 14 HH12 ARG 14 46.915 20.648 -8.667
109 HH21 ARG 14 HH21 ARG 14 48.680 17.847 -9.698
110 HH22 ARG 14 HH22 ARG 14 47.225 18.769 -9.883
111 H PHE 15 HN PHE 15 47.480 17.126 -2.279
112 HA PHE 15 HA PHE 15 45.153 17.984 -3.500
113 HB2 PHE 15 HB2 PHE 15 45.251 16.674 -1.388
114 HB3 PHE 15 HB1 PHE 15 45.708 18.153 -0.511
115 HD1 PHE 15 HD1 PHE 15 42.973 16.302 -2.122
116 HD2 PHE 15 HD2 PHE 15 44.114 20.074 -0.362
117 HE1 PHE 15 HE1 PHE 15 40.572 16.942 -1.938
118 HE2 PHE 15 HE2 PHE 15 41.713 20.713 -0.177
119 HZ PHE 15 HZ PHE 15 39.942 19.130 -0.925
120 H ILE 16 HN ILE 16 46.813 19.899 -0.930
121 HA ILE 16 HA ILE 16 45.250 22.257 -1.562
122 HB ILE 16 HB ILE 16 47.905 22.190 -0.062
123 HG12 ILE 16 HG12 ILE 16 45.071 21.773 0.999
124 HG13 ILE 16 HG11 ILE 16 46.286 20.488 0.821
125 HG21 ILE 16 HG21 ILE 16 46.979 24.416 -0.735
126 HG22 ILE 16 HG22 ILE 16 46.970 24.189 1.028
127 HG23 ILE 16 HG23 ILE 16 45.463 24.013 0.104
128 HD11 ILE 16 HD1 ILE 16 47.798 22.091 2.300
129 HD12 ILE 16 HD2 ILE 16 46.552 21.087 3.079
130 HD13 ILE 16 HD3 ILE 16 46.237 22.809 2.770
131 H HIS 17 HN HIS 17 48.846 22.448 -1.502
132 HA HIS 17 HA HIS 17 48.826 23.091 -4.426
133 HB2 HIS 17 HB2 HIS 17 49.637 25.027 -2.221
134 HB3 HIS 17 HB1 HIS 17 50.141 25.206 -3.917
135 HD1 HIS 17 HD1 HIS 17 47.698 26.499 -1.727
136 HD2 HIS 17 HD2 HIS 17 47.522 24.932 -5.625
137 HE1 HIS 17 HE1 HIS 17 45.521 27.324 -2.782
138 H GLY 18 HN GLY 18 49.987 21.437 -1.905
139 HA2 GLY 18 HA1 GLY 18 52.093 20.143 -2.967
140 HA3 GLY 18 HA2 GLY 18 52.875 21.676 -2.508
141 H MET 19 HN MET 19 51.695 22.394 -0.264
142 HA MET 19 HA MET 19 51.138 20.710 1.777
143 HB2 MET 19 HB2 MET 19 53.937 20.304 1.001
144 HB3 MET 19 HB1 MET 19 53.786 20.784 2.696
145 HG2 MET 19 HG2 MET 19 52.062 18.551 1.581
146 HG3 MET 19 HG1 MET 19 53.725 18.244 2.132
147 HE1 MET 19 HE1 MET 19 54.004 17.283 4.466
148 HE2 MET 19 HE2 MET 19 52.615 16.515 3.659
149 HE3 MET 19 HE3 MET 19 52.513 16.958 5.380
150 H ILE 20 HN ILE 20 51.271 23.418 0.523
151 HA ILE 20 HA ILE 20 51.297 25.591 1.367
152 HB ILE 20 HB ILE 20 50.419 24.001 3.649
153 HG12 ILE 20 HG12 ILE 20 49.433 26.258 4.378
154 HG13 ILE 20 HG11 ILE 20 50.249 26.966 2.965
155 HG21 ILE 20 HG21 ILE 20 52.327 26.240 4.467
156 HG22 ILE 20 HG22 ILE 20 52.598 24.501 4.730
157 HG23 ILE 20 HG23 ILE 20 51.260 25.327 5.557
158 HD11 ILE 20 HD1 ILE 20 48.044 24.880 3.030
159 HD12 ILE 20 HD2 ILE 20 49.062 25.103 1.588
160 HD13 ILE 20 HD3 ILE 20 48.063 26.446 2.190
161 H GLN 21 HN GLN 21 53.469 23.074 1.852
162 HA GLN 21 HA GLN 21 55.726 24.947 2.665
163 HB2 GLN 21 HB2 GLN 21 55.302 22.716 3.883
164 HB3 GLN 21 HB1 GLN 21 55.832 21.918 2.384
165 HG2 GLN 21 HG2 GLN 21 57.790 22.103 3.762
166 HG3 GLN 21 HG1 GLN 21 57.947 23.360 2.512
167 HE21 GLN 21 HE21 GLN 21 57.233 22.783 5.973
168 HE22 GLN 21 HE22 GLN 21 57.423 24.472 6.456
169 H ASN 22 HN ASN 22 54.648 22.556 0.220
170 HA ASN 22 HA ASN 22 56.961 23.264 -1.517
171 HB2 ASN 22 HB2 ASN 22 54.849 21.123 -1.420
172 HB3 ASN 22 HB1 ASN 22 55.439 21.578 -3.037
173 HD21 ASN 22 HD21 ASN 22 55.943 19.308 -0.702
174 HD22 ASN 22 HD22 ASN 22 57.675 19.039 -0.916
175 H HIS 23 HN HIS 23 53.685 24.127 -0.844
176 HA HIS 23 HA HIS 23 52.548 24.952 -3.214
177 HB2 HIS 23 HB2 HIS 23 51.599 25.359 -0.963
178 HB3 HIS 23 HB1 HIS 23 52.783 26.663 -0.713
179 HD1 HIS 23 HD1 HIS 23 52.166 27.009 -4.142
180 HD2 HIS 23 HD2 HIS 23 49.779 27.771 -0.766
181 HE1 HIS 23 HE1 HIS 23 50.372 28.687 -4.843
182 H HIS 24 HN HIS 24 53.775 25.584 -4.927
183 HA HIS 24 HA HIS 24 55.165 26.940 -6.201
184 HB2 HIS 24 HB2 HIS 24 53.927 29.014 -4.351
185 HB3 HIS 24 HB1 HIS 24 54.856 29.402 -5.819
186 HD1 HIS 24 HD1 HIS 24 52.654 26.351 -5.799
187 HD2 HIS 24 HD2 HIS 24 52.419 30.357 -7.056
188 HE1 HIS 24 HE1 HIS 24 50.627 26.548 -7.343
Start of MODEL 46
1 H1 PHE 1 HT1 PHE 1 51.809 7.939 6.251
2 H2 PHE 1 HT2 PHE 1 50.844 8.033 7.647
3 H3 PHE 1 HT3 PHE 1 50.343 7.092 6.324
4 HA PHE 1 HA PHE 1 52.538 6.598 8.213
5 HB2 PHE 1 HB2 PHE 1 50.291 4.792 7.253
6 HB3 PHE 1 HB1 PHE 1 51.375 4.544 8.643
7 HD1 PHE 1 HD1 PHE 1 48.430 6.367 7.368
8 HD2 PHE 1 HD2 PHE 1 51.142 5.904 10.694
9 HE1 PHE 1 HE1 PHE 1 46.852 7.626 8.829
10 HE2 PHE 1 HE2 PHE 1 49.565 7.163 12.155
11 HZ PHE 1 HZ PHE 1 47.385 7.955 11.241
12 H LEU 2 HN LEU 2 51.746 6.658 4.918
13 HA LEU 2 HA LEU 2 53.158 4.231 4.120
14 HB2 LEU 2 HB2 LEU 2 52.644 6.639 2.345
15 HB3 LEU 2 HB1 LEU 2 52.719 4.917 1.897
16 HG LEU 2 HG LEU 2 50.559 6.273 3.573
17 HD11 LEU 2 HD11 LEU 2 50.499 4.931 0.833
18 HD12 LEU 2 HD12 LEU 2 50.433 6.686 1.128
19 HD13 LEU 2 HD13 LEU 2 49.102 5.640 1.677
20 HD21 LEU 2 HD21 LEU 2 51.085 3.353 2.873
21 HD22 LEU 2 HD22 LEU 2 49.472 3.943 3.344
22 HD23 LEU 2 HD23 LEU 2 50.833 4.067 4.483
23 H GLY 3 HN GLY 3 55.107 4.205 2.796
24 HA2 GLY 3 HA1 GLY 3 56.880 6.507 2.815
25 HA3 GLY 3 HA2 GLY 3 57.329 5.310 4.047
26 H ALA 4 HN ALA 4 56.350 5.442 0.593
27 HA ALA 4 HA ALA 4 58.802 4.149 -0.253
28 HB1 ALA 4 HB1 ALA 4 57.812 2.038 -1.045
29 HB2 ALA 4 HB2 ALA 4 56.264 2.479 -0.284
30 HB3 ALA 4 HB3 ALA 4 57.698 2.182 0.725
31 H LEU 5 HN LEU 5 55.340 4.693 -0.978
32 HA LEU 5 HA LEU 5 55.790 4.865 -3.848
33 HB2 LEU 5 HB2 LEU 5 53.440 6.051 -2.335
34 HB3 LEU 5 HB1 LEU 5 53.485 5.428 -4.000
35 HG LEU 5 HG LEU 5 53.818 3.772 -1.457
36 HD11 LEU 5 HD11 LEU 5 51.638 2.835 -2.057
37 HD12 LEU 5 HD12 LEU 5 51.583 3.830 -3.532
38 HD13 LEU 5 HD13 LEU 5 51.501 4.605 -1.930
39 HD21 LEU 5 HD21 LEU 5 55.135 2.714 -3.154
40 HD22 LEU 5 HD22 LEU 5 53.949 3.092 -4.426
41 HD23 LEU 5 HD23 LEU 5 53.576 1.863 -3.193
42 H ILE 6 HN ILE 6 55.530 7.191 -1.163
43 HA ILE 6 HA ILE 6 55.979 9.496 -1.076
44 HB ILE 6 HB ILE 6 57.626 9.252 -3.641
45 HG12 ILE 6 HG12 ILE 6 58.368 7.246 -2.624
46 HG13 ILE 6 HG11 ILE 6 59.558 8.456 -2.109
47 HG21 ILE 6 HG21 ILE 6 58.881 11.013 -2.756
48 HG22 ILE 6 HG22 ILE 6 58.549 10.569 -1.071
49 HG23 ILE 6 HG23 ILE 6 57.294 11.368 -2.040
50 HD11 ILE 6 HD1 ILE 6 57.864 8.669 -0.001
51 HD12 ILE 6 HD2 ILE 6 59.139 7.438 -0.053
52 HD13 ILE 6 HD3 ILE 6 57.473 7.004 -0.477
53 H LYS 7 HN LYS 7 56.693 10.972 -3.717
54 HA LYS 7 HA LYS 7 55.354 12.475 -4.903
55 HB2 LYS 7 HB2 LYS 7 54.694 10.263 -6.135
56 HB3 LYS 7 HB1 LYS 7 53.237 10.282 -5.113
57 HG2 LYS 7 HG2 LYS 7 52.831 12.666 -5.944
58 HG3 LYS 7 HG1 LYS 7 54.120 12.383 -7.135
59 HD2 LYS 7 HD2 LYS 7 51.643 10.625 -6.832
60 HD3 LYS 7 HD1 LYS 7 51.802 11.932 -8.026
61 HE2 LYS 7 HE2 LYS 7 53.963 10.722 -8.800
62 HE3 LYS 7 HE1 LYS 7 53.373 9.337 -7.850
63 HZ1 LYS 7 HZ1 LYS 7 51.579 9.046 -9.219
64 HZ2 LYS 7 HZ2 LYS 7 52.726 9.598 -10.345
65 HZ3 LYS 7 HZ3 LYS 7 51.547 10.661 -9.739
66 H GLY 8 HN GLY 8 55.494 11.763 -2.295
67 HA2 GLY 8 HA1 GLY 8 54.623 11.733 -0.251
68 HA3 GLY 8 HA2 GLY 8 54.171 13.427 -0.684
69 H ALA 9 HN ALA 9 53.139 10.085 -0.423
70 HA ALA 9 HA ALA 9 51.065 9.115 -0.228
71 HB1 ALA 9 HB1 ALA 9 50.973 10.572 1.758
72 HB2 ALA 9 HB2 ALA 9 49.364 10.370 1.024
73 HB3 ALA 9 HB3 ALA 9 50.278 11.875 0.767
74 H ILE 10 HN ILE 10 51.646 9.834 -2.782
75 HA ILE 10 HA ILE 10 50.590 9.973 -4.812
76 HB ILE 10 HB ILE 10 48.427 9.277 -3.086
77 HG12 ILE 10 HG12 ILE 10 49.154 8.132 -5.188
78 HG13 ILE 10 HG11 ILE 10 47.396 8.355 -5.080
79 HG21 ILE 10 HG21 ILE 10 47.561 11.598 -3.204
80 HG22 ILE 10 HG22 ILE 10 46.466 10.441 -3.988
81 HG23 ILE 10 HG23 ILE 10 47.502 11.492 -4.977
82 HD11 ILE 10 HD1 ILE 10 47.356 9.972 -6.779
83 HD12 ILE 10 HD2 ILE 10 48.698 8.947 -7.337
84 HD13 ILE 10 HD3 ILE 10 49.038 10.475 -6.492
85 H HIS 11 HN HIS 11 49.668 12.380 -2.374
86 HA HIS 11 HA HIS 11 50.622 14.548 -4.020
87 HB2 HIS 11 HB2 HIS 11 48.470 14.058 -5.209
88 HB3 HIS 11 HB1 HIS 11 47.600 14.376 -3.690
89 HD1 HIS 11 HD1 HIS 11 49.859 16.099 -6.246
90 HD2 HIS 11 HD2 HIS 11 47.139 17.076 -3.194
91 HE1 HIS 11 HE1 HIS 11 49.540 18.634 -6.294
92 H GLY 12 HN GLY 12 49.258 13.135 -1.230
93 HA2 GLY 12 HA1 GLY 12 50.323 14.477 0.781
94 HA3 GLY 12 HA2 GLY 12 49.163 15.721 0.267
95 H GLY 13 HN GLY 13 48.027 12.608 -0.407
96 HA2 GLY 13 HA1 GLY 13 46.554 11.186 0.699
97 HA3 GLY 13 HA2 GLY 13 46.906 12.023 2.224
98 H ARG 14 HN ARG 14 45.199 12.405 -0.895
99 HA ARG 14 HA ARG 14 42.770 13.226 0.456
100 HB2 ARG 14 HB2 ARG 14 44.107 15.327 0.668
101 HB3 ARG 14 HB1 ARG 14 44.271 15.372 -1.099
102 HG2 ARG 14 HG2 ARG 14 42.437 16.847 -0.412
103 HG3 ARG 14 HG1 ARG 14 41.774 15.465 -1.308
104 HD2 ARG 14 HD2 ARG 14 40.819 14.510 0.616
105 HD3 ARG 14 HD1 ARG 14 41.982 15.295 1.713
106 HE ARG 14 HE ARG 14 40.438 17.336 0.466
107 HH11 ARG 14 HH11 ARG 14 40.892 16.297 3.450
108 HH12 ARG 14 HH12 ARG 14 39.240 16.267 3.968
109 HH21 ARG 14 HH21 ARG 14 37.953 16.600 0.766
110 HH22 ARG 14 HH22 ARG 14 37.576 16.439 2.449
111 H PHE 15 HN PHE 15 44.742 13.077 -2.478
112 HA PHE 15 HA PHE 15 42.389 13.053 -4.254
113 HB2 PHE 15 HB2 PHE 15 44.662 13.961 -4.906
114 HB3 PHE 15 HB1 PHE 15 45.267 12.287 -4.886
115 HD1 PHE 15 HD1 PHE 15 44.587 10.674 -6.589
116 HD2 PHE 15 HD2 PHE 15 42.986 14.681 -6.572
117 HE1 PHE 15 HE1 PHE 15 43.695 10.326 -8.889
118 HE2 PHE 15 HE2 PHE 15 42.093 14.333 -8.873
119 HZ PHE 15 HZ PHE 15 42.523 12.186 -10.062
120 H ILE 16 HN ILE 16 41.134 11.316 -3.507
121 HA ILE 16 HA ILE 16 40.515 9.091 -3.300
122 HB ILE 16 HB ILE 16 42.624 8.445 -5.394
123 HG12 ILE 16 HG12 ILE 16 39.852 9.655 -5.804
124 HG13 ILE 16 HG11 ILE 16 41.402 10.466 -6.128
125 HG21 ILE 16 HG21 ILE 16 41.213 6.645 -4.218
126 HG22 ILE 16 HG22 ILE 16 41.150 6.660 -5.995
127 HG23 ILE 16 HG23 ILE 16 39.807 7.350 -5.052
128 HD11 ILE 16 HD1 ILE 16 40.164 8.104 -7.582
129 HD12 ILE 16 HD2 ILE 16 41.906 8.455 -7.702
130 HD13 ILE 16 HD3 ILE 16 40.715 9.656 -8.253
131 H HIS 17 HN HIS 17 41.964 9.768 -1.302
132 HA HIS 17 HA HIS 17 43.846 7.461 -0.840
133 HB2 HIS 17 HB2 HIS 17 45.153 9.576 -1.178
134 HB3 HIS 17 HB1 HIS 17 44.242 10.316 0.160
135 HD1 HIS 17 HD1 HIS 17 44.606 9.343 2.578
136 HD2 HIS 17 HD2 HIS 17 47.178 7.797 -0.366
137 HE1 HIS 17 HE1 HIS 17 46.479 8.090 3.784
138 H GLY 18 HN GLY 18 42.370 10.257 0.904
139 HA2 GLY 18 HA1 GLY 18 41.895 8.830 3.332
140 HA3 GLY 18 HA2 GLY 18 40.959 10.241 2.765
141 H MET 19 HN MET 19 39.762 9.615 0.631
142 HA MET 19 HA MET 19 38.794 7.195 0.025
143 HB2 MET 19 HB2 MET 19 37.678 7.841 2.625
144 HB3 MET 19 HB1 MET 19 36.364 7.776 1.436
145 HG2 MET 19 HG2 MET 19 37.037 5.519 0.765
146 HG3 MET 19 HG1 MET 19 38.454 5.590 1.838
147 HE1 MET 19 HE1 MET 19 34.014 5.365 2.887
148 HE2 MET 19 HE2 MET 19 34.756 4.240 1.726
149 HE3 MET 19 HE3 MET 19 34.798 5.992 1.419
150 H ILE 20 HN ILE 20 39.063 8.301 -1.884
151 HA ILE 20 HA ILE 20 38.221 9.529 -3.673
152 HB ILE 20 HB ILE 20 35.511 9.712 -2.281
153 HG12 ILE 20 HG12 ILE 20 36.704 7.319 -3.764
154 HG13 ILE 20 HG11 ILE 20 36.184 7.362 -2.066
155 HG21 ILE 20 HG21 ILE 20 36.090 10.864 -4.539
156 HG22 ILE 20 HG22 ILE 20 34.640 9.840 -4.501
157 HG23 ILE 20 HG23 ILE 20 36.146 9.224 -5.222
158 HD11 ILE 20 HD1 ILE 20 34.374 6.333 -3.208
159 HD12 ILE 20 HD2 ILE 20 34.466 7.480 -4.565
160 HD13 ILE 20 HD3 ILE 20 33.848 8.019 -2.984
161 H GLN 21 HN GLN 21 39.116 10.334 -0.968
162 HA GLN 21 HA GLN 21 39.950 12.470 -0.279
163 HB2 GLN 21 HB2 GLN 21 37.500 13.827 -1.501
164 HB3 GLN 21 HB1 GLN 21 38.967 14.585 -0.872
165 HG2 GLN 21 HG2 GLN 21 40.071 14.378 -2.870
166 HG3 GLN 21 HG1 GLN 21 39.643 12.664 -3.022
167 HE21 GLN 21 HE21 GLN 21 37.367 15.467 -2.808
168 HE22 GLN 21 HE22 GLN 21 36.682 15.216 -4.418
169 H ASN 22 HN ASN 22 38.300 10.401 0.700
170 HA ASN 22 HA ASN 22 36.766 9.911 2.352
171 HB2 ASN 22 HB2 ASN 22 38.653 10.632 3.656
172 HB3 ASN 22 HB1 ASN 22 38.131 12.339 3.540
173 HD21 ASN 22 HD21 ASN 22 38.262 11.841 6.093
174 HD22 ASN 22 HD22 ASN 22 36.730 11.327 6.807
175 H HIS 23 HN HIS 23 35.561 11.004 0.299
176 HA HIS 23 HA HIS 23 33.942 13.325 1.064
177 HB2 HIS 23 HB2 HIS 23 34.526 12.675 -1.302
178 HB3 HIS 23 HB1 HIS 23 33.426 11.285 -1.135
179 HD1 HIS 23 HD1 HIS 23 32.551 14.532 0.558
180 HD2 HIS 23 HD2 HIS 23 31.640 12.549 -3.035
181 HE1 HIS 23 HE1 HIS 23 30.517 15.696 -0.461
182 H HIS 24 HN HIS 24 32.823 10.055 0.106
183 HA HIS 24 HA HIS 24 31.344 9.657 2.578
184 HB2 HIS 24 HB2 HIS 24 29.895 11.380 1.589
185 HB3 HIS 24 HB1 HIS 24 29.776 10.435 0.084
186 HD1 HIS 24 HD1 HIS 24 29.657 8.957 3.601
187 HD2 HIS 24 HD2 HIS 24 27.066 9.721 0.379
188 HE1 HIS 24 HE1 HIS 24 27.451 7.768 4.101
Start of MODEL 47
1 H1 PHE 1 HT1 PHE 1 57.819 -2.489 -8.121
2 H2 PHE 1 HT2 PHE 1 56.483 -1.442 -8.203
3 H3 PHE 1 HT3 PHE 1 57.060 -1.974 -6.696
4 HA PHE 1 HA PHE 1 59.169 -0.853 -7.141
5 HB2 PHE 1 HB2 PHE 1 57.615 0.431 -9.418
6 HB3 PHE 1 HB1 PHE 1 59.315 0.710 -8.971
7 HD1 PHE 1 HD1 PHE 1 57.126 -1.202 -11.067
8 HD2 PHE 1 HD2 PHE 1 60.858 -1.429 -8.907
9 HE1 PHE 1 HE1 PHE 1 57.842 -3.106 -12.504
10 HE2 PHE 1 HE2 PHE 1 61.573 -3.334 -10.344
11 HZ PHE 1 HZ PHE 1 60.032 -4.220 -12.090
12 H LEU 2 HN LEU 2 59.430 1.473 -6.607
13 HA LEU 2 HA LEU 2 57.350 2.258 -4.734
14 HB2 LEU 2 HB2 LEU 2 59.939 3.516 -5.704
15 HB3 LEU 2 HB1 LEU 2 58.846 4.382 -4.598
16 HG LEU 2 HG LEU 2 58.971 2.479 -3.000
17 HD11 LEU 2 HD11 LEU 2 60.922 0.820 -3.471
18 HD12 LEU 2 HD12 LEU 2 60.778 1.341 -5.167
19 HD13 LEU 2 HD13 LEU 2 59.397 0.568 -4.350
20 HD21 LEU 2 HD21 LEU 2 60.565 4.409 -2.883
21 HD22 LEU 2 HD22 LEU 2 61.716 3.487 -3.879
22 HD23 LEU 2 HD23 LEU 2 61.272 2.900 -2.257
23 H GLY 3 HN GLY 3 56.061 4.143 -4.758
24 HA2 GLY 3 HA1 GLY 3 55.942 6.019 -6.870
25 HA3 GLY 3 HA2 GLY 3 54.845 4.690 -7.295
26 H ALA 4 HN ALA 4 53.673 3.932 -5.021
27 HA ALA 4 HA ALA 4 51.875 6.163 -4.500
28 HB1 ALA 4 HB1 ALA 4 50.992 3.919 -4.583
29 HB2 ALA 4 HB2 ALA 4 50.803 4.532 -2.923
30 HB3 ALA 4 HB3 ALA 4 52.106 3.382 -3.305
31 H LEU 5 HN LEU 5 54.638 4.697 -2.880
32 HA LEU 5 HA LEU 5 54.171 5.776 -0.265
33 HB2 LEU 5 HB2 LEU 5 56.654 4.904 -1.780
34 HB3 LEU 5 HB1 LEU 5 56.774 5.586 -0.143
35 HG LEU 5 HG LEU 5 55.263 3.847 0.723
36 HD11 LEU 5 HD11 LEU 5 54.737 1.901 -0.909
37 HD12 LEU 5 HD12 LEU 5 55.123 3.051 -2.211
38 HD13 LEU 5 HD13 LEU 5 53.783 3.390 -1.088
39 HD21 LEU 5 HD21 LEU 5 57.451 2.632 -1.024
40 HD22 LEU 5 HD22 LEU 5 56.767 1.932 0.462
41 HD23 LEU 5 HD23 LEU 5 57.735 3.425 0.544
42 H ILE 6 HN ILE 6 56.117 7.002 -3.025
43 HA ILE 6 HA ILE 6 56.353 9.656 -1.606
44 HB ILE 6 HB ILE 6 58.287 8.297 -2.879
45 HG12 ILE 6 HG12 ILE 6 57.893 11.305 -3.249
46 HG13 ILE 6 HG11 ILE 6 58.562 10.500 -1.815
47 HG21 ILE 6 HG21 ILE 6 56.704 8.434 -5.066
48 HG22 ILE 6 HG22 ILE 6 58.476 8.446 -5.180
49 HG23 ILE 6 HG23 ILE 6 57.575 9.969 -5.283
50 HD11 ILE 6 HD1 ILE 6 59.750 10.617 -4.613
51 HD12 ILE 6 HD2 ILE 6 60.323 9.478 -3.372
52 HD13 ILE 6 HD3 ILE 6 60.449 11.232 -3.098
53 H LYS 7 HN LYS 7 56.595 11.066 -4.291
54 HA LYS 7 HA LYS 7 55.071 12.502 -5.311
55 HB2 LYS 7 HB2 LYS 7 53.707 9.812 -5.525
56 HB3 LYS 7 HB1 LYS 7 52.658 11.234 -5.720
57 HG2 LYS 7 HG2 LYS 7 53.510 10.484 -7.908
58 HG3 LYS 7 HG1 LYS 7 54.162 12.090 -7.505
59 HD2 LYS 7 HD2 LYS 7 56.289 11.169 -6.866
60 HD3 LYS 7 HD1 LYS 7 55.656 9.506 -6.906
61 HE2 LYS 7 HE2 LYS 7 55.799 11.342 -9.336
62 HE3 LYS 7 HE1 LYS 7 57.028 10.118 -8.934
63 HZ1 LYS 7 HZ1 LYS 7 54.280 9.176 -8.936
64 HZ2 LYS 7 HZ2 LYS 7 55.684 8.449 -9.557
65 HZ3 LYS 7 HZ3 LYS 7 54.876 9.644 -10.453
66 H GLY 8 HN GLY 8 55.594 11.835 -2.742
67 HA2 GLY 8 HA1 GLY 8 55.017 11.828 -0.594
68 HA3 GLY 8 HA2 GLY 8 54.419 13.484 -0.992
69 H ALA 9 HN ALA 9 53.605 10.086 -0.591
70 HA ALA 9 HA ALA 9 51.630 9.021 -0.088
71 HB1 ALA 9 HB1 ALA 9 50.644 11.721 0.880
72 HB2 ALA 9 HB2 ALA 9 51.760 10.694 1.812
73 HB3 ALA 9 HB3 ALA 9 50.124 10.109 1.423
74 H ILE 10 HN ILE 10 51.830 9.553 -2.686
75 HA ILE 10 HA ILE 10 50.546 9.592 -4.586
76 HB ILE 10 HB ILE 10 48.555 9.092 -2.526
77 HG12 ILE 10 HG12 ILE 10 49.246 7.630 -4.481
78 HG13 ILE 10 HG11 ILE 10 47.498 7.736 -4.190
79 HG21 ILE 10 HG21 ILE 10 46.511 9.999 -3.598
80 HG22 ILE 10 HG22 ILE 10 47.514 10.963 -4.702
81 HG23 ILE 10 HG23 ILE 10 47.562 11.278 -2.954
82 HD11 ILE 10 HD1 ILE 10 48.821 9.630 -6.161
83 HD12 ILE 10 HD2 ILE 10 47.128 9.089 -6.089
84 HD13 ILE 10 HD3 ILE 10 48.396 7.975 -6.652
85 H HIS 11 HN HIS 11 49.874 12.125 -2.189
86 HA HIS 11 HA HIS 11 50.620 14.205 -4.028
87 HB2 HIS 11 HB2 HIS 11 48.378 13.658 -4.991
88 HB3 HIS 11 HB1 HIS 11 47.643 14.014 -3.410
89 HD1 HIS 11 HD1 HIS 11 46.729 16.319 -3.277
90 HD2 HIS 11 HD2 HIS 11 50.068 16.104 -5.825
91 HE1 HIS 11 HE1 HIS 11 47.156 18.673 -4.174
92 H GLY 12 HN GLY 12 49.520 12.933 -1.050
93 HA2 GLY 12 HA1 GLY 12 50.772 14.411 0.764
94 HA3 GLY 12 HA2 GLY 12 49.523 15.590 0.309
95 H GLY 13 HN GLY 13 48.734 12.208 0.134
96 HA2 GLY 13 HA1 GLY 13 47.245 10.934 1.365
97 HA3 GLY 13 HA2 GLY 13 47.886 11.752 2.806
98 H ARG 14 HN ARG 14 45.723 12.341 0.010
99 HA ARG 14 HA ARG 14 43.524 13.073 1.746
100 HB2 ARG 14 HB2 ARG 14 44.837 15.133 2.035
101 HB3 ARG 14 HB1 ARG 14 44.964 15.321 0.273
102 HG2 ARG 14 HG2 ARG 14 43.193 16.780 1.240
103 HG3 ARG 14 HG1 ARG 14 42.517 15.602 0.099
104 HD2 ARG 14 HD2 ARG 14 41.526 14.320 1.814
105 HD3 ARG 14 HD1 ARG 14 42.639 14.940 3.059
106 HE ARG 14 HE ARG 14 41.191 17.173 2.175
107 HH11 ARG 14 HH11 ARG 14 38.694 16.311 1.861
108 HH12 ARG 14 HH12 ARG 14 38.065 15.834 3.403
109 HH21 ARG 14 HH21 ARG 14 41.184 15.594 4.898
110 HH22 ARG 14 HH22 ARG 14 39.475 15.428 5.122
111 H PHE 15 HN PHE 15 45.099 13.145 -1.419
112 HA PHE 15 HA PHE 15 42.726 13.559 -2.982
113 HB2 PHE 15 HB2 PHE 15 45.120 13.747 -3.787
114 HB3 PHE 15 HB1 PHE 15 45.195 11.968 -3.776
115 HD1 PHE 15 HD1 PHE 15 43.864 14.943 -5.482
116 HD2 PHE 15 HD2 PHE 15 43.722 10.633 -5.285
117 HE1 PHE 15 HE1 PHE 15 42.762 14.876 -7.717
118 HE2 PHE 15 HE2 PHE 15 42.620 10.568 -7.518
119 HZ PHE 15 HZ PHE 15 42.079 12.693 -8.702
120 H ILE 16 HN ILE 16 44.006 10.825 -1.251
121 HA ILE 16 HA ILE 16 42.496 8.822 -2.768
122 HB ILE 16 HB ILE 16 43.697 8.516 0.019
123 HG12 ILE 16 HG12 ILE 16 45.004 8.096 -2.710
124 HG13 ILE 16 HG11 ILE 16 45.376 9.427 -1.590
125 HG21 ILE 16 HG21 ILE 16 42.094 6.756 -0.971
126 HG22 ILE 16 HG22 ILE 16 43.698 6.170 -0.482
127 HG23 ILE 16 HG23 ILE 16 43.343 6.461 -2.202
128 HD11 ILE 16 HD1 ILE 16 45.882 7.569 0.154
129 HD12 ILE 16 HD2 ILE 16 47.061 7.812 -1.155
130 HD13 ILE 16 HD3 ILE 16 45.910 6.459 -1.237
131 H HIS 17 HN HIS 17 42.317 9.315 0.791
132 HA HIS 17 HA HIS 17 39.476 10.060 0.650
133 HB2 HIS 17 HB2 HIS 17 40.307 7.224 1.351
134 HB3 HIS 17 HB1 HIS 17 38.813 7.932 2.007
135 HD1 HIS 17 HD1 HIS 17 37.585 9.419 -0.265
136 HD2 HIS 17 HD2 HIS 17 39.477 5.702 -0.793
137 HE1 HIS 17 HE1 HIS 17 36.702 8.417 -2.443
138 H GLY 18 HN GLY 18 41.909 11.099 1.775
139 HA2 GLY 18 HA1 GLY 18 41.615 12.438 3.908
140 HA3 GLY 18 HA2 GLY 18 41.340 10.879 4.723
141 H MET 19 HN MET 19 43.091 9.306 3.414
142 HA MET 19 HA MET 19 45.599 9.880 2.865
143 HB2 MET 19 HB2 MET 19 46.351 11.268 4.555
144 HB3 MET 19 HB1 MET 19 45.261 10.567 5.750
145 HG2 MET 19 HG2 MET 19 46.732 8.762 6.209
146 HG3 MET 19 HG1 MET 19 47.603 8.970 4.671
147 HE1 MET 19 HE1 MET 19 49.437 8.454 6.330
148 HE2 MET 19 HE2 MET 19 50.493 9.769 6.899
149 HE3 MET 19 HE3 MET 19 50.164 9.579 5.160
150 H ILE 20 HN ILE 20 45.191 8.046 1.804
151 HA ILE 20 HA ILE 20 45.210 5.739 1.501
152 HB ILE 20 HB ILE 20 46.367 5.410 4.311
153 HG12 ILE 20 HG12 ILE 20 47.898 6.102 1.758
154 HG13 ILE 20 HG11 ILE 20 47.635 7.211 3.118
155 HG21 ILE 20 HG21 ILE 20 47.315 3.399 3.443
156 HG22 ILE 20 HG22 ILE 20 47.048 3.895 1.756
157 HG23 ILE 20 HG23 ILE 20 45.671 3.429 2.775
158 HD11 ILE 20 HD1 ILE 20 49.278 4.661 3.059
159 HD12 ILE 20 HD2 ILE 20 48.727 5.377 4.594
160 HD13 ILE 20 HD3 ILE 20 49.794 6.301 3.511
161 H GLN 21 HN GLN 21 43.312 7.493 2.910
162 HA GLN 21 HA GLN 21 41.069 7.111 3.567
163 HB2 GLN 21 HB2 GLN 21 41.581 4.527 2.950
164 HB3 GLN 21 HB1 GLN 21 41.649 4.361 4.717
165 HG2 GLN 21 HG2 GLN 21 39.324 5.499 3.094
166 HG3 GLN 21 HG1 GLN 21 39.365 3.918 3.908
167 HE21 GLN 21 HE21 GLN 21 38.852 3.831 6.133
168 HE22 GLN 21 HE22 GLN 21 38.516 5.270 7.100
169 H ASN 22 HN ASN 22 43.366 8.180 4.704
170 HA ASN 22 HA ASN 22 44.345 8.788 6.693
171 HB2 ASN 22 HB2 ASN 22 42.686 9.598 8.382
172 HB3 ASN 22 HB1 ASN 22 42.412 10.172 6.711
173 HD21 ASN 22 HD21 ASN 22 40.458 9.571 5.656
174 HD22 ASN 22 HD22 ASN 22 39.232 8.554 6.419
175 H HIS 23 HN HIS 23 45.002 6.438 6.449
176 HA HIS 23 HA HIS 23 44.032 4.453 8.244
177 HB2 HIS 23 HB2 HIS 23 45.675 4.027 6.442
178 HB3 HIS 23 HB1 HIS 23 46.902 4.940 7.353
179 HD1 HIS 23 HD1 HIS 23 47.858 3.878 9.535
180 HD2 HIS 23 HD2 HIS 23 45.162 1.428 7.435
181 HE1 HIS 23 HE1 HIS 23 48.016 1.535 10.542
182 H HIS 24 HN HIS 24 47.137 6.166 8.761
183 HA HIS 24 HA HIS 24 46.405 7.071 11.418
184 HB2 HIS 24 HB2 HIS 24 46.590 4.660 11.911
185 HB3 HIS 24 HB1 HIS 24 48.230 4.641 11.222
186 HD1 HIS 24 HD1 HIS 24 46.393 5.213 14.347
187 HD2 HIS 24 HD2 HIS 24 50.026 6.554 12.706
188 HE1 HIS 24 HE1 HIS 24 47.813 6.112 16.271
Start of MODEL 48
1 H1 PHE 1 HT1 PHE 1 50.911 -2.206 -8.656
2 H2 PHE 1 HT2 PHE 1 50.789 -0.532 -8.922
3 H3 PHE 1 HT3 PHE 1 49.779 -1.292 -7.786
4 HA PHE 1 HA PHE 1 51.214 -0.727 -6.258
5 HB2 PHE 1 HB2 PHE 1 51.787 -3.145 -6.682
6 HB3 PHE 1 HB1 PHE 1 53.116 -2.591 -7.729
7 HD1 PHE 1 HD1 PHE 1 55.062 -1.410 -6.792
8 HD2 PHE 1 HD2 PHE 1 51.865 -2.817 -4.258
9 HE1 PHE 1 HE1 PHE 1 56.505 -1.079 -4.788
10 HE2 PHE 1 HE2 PHE 1 53.309 -2.485 -2.252
11 HZ PHE 1 HZ PHE 1 55.620 -1.592 -2.516
12 H LEU 2 HN LEU 2 52.127 1.193 -6.019
13 HA LEU 2 HA LEU 2 53.578 2.451 -8.218
14 HB2 LEU 2 HB2 LEU 2 53.520 3.442 -5.349
15 HB3 LEU 2 HB1 LEU 2 53.612 4.386 -6.856
16 HG LEU 2 HG LEU 2 51.221 2.778 -5.854
17 HD11 LEU 2 HD11 LEU 2 50.142 5.006 -5.756
18 HD12 LEU 2 HD12 LEU 2 51.656 5.765 -6.303
19 HD13 LEU 2 HD13 LEU 2 51.590 4.953 -4.722
20 HD21 LEU 2 HD21 LEU 2 50.106 3.906 -7.890
21 HD22 LEU 2 HD22 LEU 2 51.219 2.566 -8.246
22 HD23 LEU 2 HD23 LEU 2 51.753 4.250 -8.470
23 H GLY 3 HN GLY 3 55.752 3.336 -8.042
24 HA2 GLY 3 HA1 GLY 3 57.673 1.354 -7.426
25 HA3 GLY 3 HA2 GLY 3 58.019 3.076 -7.675
26 H ALA 4 HN ALA 4 56.409 4.041 -5.484
27 HA ALA 4 HA ALA 4 57.229 2.757 -3.027
28 HB1 ALA 4 HB1 ALA 4 59.435 3.646 -3.875
29 HB2 ALA 4 HB2 ALA 4 58.942 4.269 -2.282
30 HB3 ALA 4 HB3 ALA 4 58.755 5.283 -3.733
31 H LEU 5 HN LEU 5 56.558 3.935 -1.136
32 HA LEU 5 HA LEU 5 54.152 5.481 -1.644
33 HB2 LEU 5 HB2 LEU 5 55.590 5.278 1.023
34 HB3 LEU 5 HB1 LEU 5 53.848 5.455 0.710
35 HG LEU 5 HG LEU 5 55.568 3.013 0.090
36 HD11 LEU 5 HD11 LEU 5 54.898 3.432 2.496
37 HD12 LEU 5 HD12 LEU 5 54.249 1.923 1.811
38 HD13 LEU 5 HD13 LEU 5 53.198 3.350 1.978
39 HD21 LEU 5 HD21 LEU 5 52.669 3.705 -0.550
40 HD22 LEU 5 HD22 LEU 5 53.243 2.021 -0.463
41 HD23 LEU 5 HD23 LEU 5 53.937 3.135 -1.662
42 H ILE 6 HN ILE 6 54.886 7.262 -2.889
43 HA ILE 6 HA ILE 6 55.821 9.521 -1.163
44 HB ILE 6 HB ILE 6 57.598 10.179 -2.783
45 HG12 ILE 6 HG12 ILE 6 56.917 7.511 -4.107
46 HG13 ILE 6 HG11 ILE 6 56.708 9.127 -4.820
47 HG21 ILE 6 HG21 ILE 6 58.044 8.649 -0.780
48 HG22 ILE 6 HG22 ILE 6 59.265 8.608 -2.072
49 HG23 ILE 6 HG23 ILE 6 58.069 7.296 -1.936
50 HD11 ILE 6 HD1 ILE 6 59.285 7.637 -4.223
51 HD12 ILE 6 HD2 ILE 6 59.274 9.408 -4.415
52 HD13 ILE 6 HD3 ILE 6 58.747 8.362 -5.755
53 H LYS 7 HN LYS 7 56.432 11.060 -3.724
54 HA LYS 7 HA LYS 7 55.116 12.669 -4.776
55 HB2 LYS 7 HB2 LYS 7 53.364 10.200 -5.167
56 HB3 LYS 7 HB1 LYS 7 52.807 11.808 -5.685
57 HG2 LYS 7 HG2 LYS 7 54.837 12.053 -7.093
58 HG3 LYS 7 HG1 LYS 7 55.378 10.435 -6.585
59 HD2 LYS 7 HD2 LYS 7 53.318 9.443 -7.547
60 HD3 LYS 7 HD1 LYS 7 52.785 11.060 -8.069
61 HE2 LYS 7 HE2 LYS 7 54.889 11.264 -9.426
62 HE3 LYS 7 HE1 LYS 7 55.296 9.590 -8.981
63 HZ1 LYS 7 HZ1 LYS 7 53.011 9.021 -9.897
64 HZ2 LYS 7 HZ2 LYS 7 54.210 9.432 -11.028
65 HZ3 LYS 7 HZ3 LYS 7 53.013 10.562 -10.604
66 H GLY 8 HN GLY 8 55.324 11.814 -2.217
67 HA2 GLY 8 HA1 GLY 8 54.530 11.717 -0.146
68 HA3 GLY 8 HA2 GLY 8 54.090 13.435 -0.485
69 H ALA 9 HN ALA 9 52.993 10.080 -0.533
70 HA ALA 9 HA ALA 9 50.897 9.139 -0.379
71 HB1 ALA 9 HB1 ALA 9 49.324 10.198 1.147
72 HB2 ALA 9 HB2 ALA 9 50.185 11.749 1.007
73 HB3 ALA 9 HB3 ALA 9 50.973 10.360 1.794
74 H ILE 10 HN ILE 10 51.102 9.673 -2.807
75 HA ILE 10 HA ILE 10 49.987 10.165 -4.746
76 HB ILE 10 HB ILE 10 47.768 10.272 -2.731
77 HG12 ILE 10 HG12 ILE 10 48.533 8.312 -4.256
78 HG13 ILE 10 HG11 ILE 10 46.790 8.606 -4.084
79 HG21 ILE 10 HG21 ILE 10 47.106 12.331 -3.715
80 HG22 ILE 10 HG22 ILE 10 46.108 11.088 -4.500
81 HG23 ILE 10 HG23 ILE 10 47.506 11.773 -5.359
82 HD11 ILE 10 HD1 ILE 10 48.379 9.835 -6.374
83 HD12 ILE 10 HD2 ILE 10 46.623 9.584 -6.247
84 HD13 ILE 10 HD3 ILE 10 47.706 8.193 -6.477
85 H HIS 11 HN HIS 11 48.847 12.699 -2.444
86 HA HIS 11 HA HIS 11 50.476 14.715 -3.842
87 HB2 HIS 11 HB2 HIS 11 48.412 14.541 -5.256
88 HB3 HIS 11 HB1 HIS 11 47.437 14.947 -3.824
89 HD1 HIS 11 HD1 HIS 11 50.746 16.453 -5.086
90 HD2 HIS 11 HD2 HIS 11 46.785 17.606 -4.271
91 HE1 HIS 11 HE1 HIS 11 50.621 18.991 -5.352
92 H GLY 12 HN GLY 12 49.237 13.319 -1.180
93 HA2 GLY 12 HA1 GLY 12 50.175 14.700 0.852
94 HA3 GLY 12 HA2 GLY 12 48.903 15.852 0.391
95 H GLY 13 HN GLY 13 47.504 13.165 -0.546
96 HA2 GLY 13 HA1 GLY 13 46.855 11.692 1.793
97 HA3 GLY 13 HA2 GLY 13 45.692 13.027 1.647
98 H ARG 14 HN ARG 14 44.537 13.263 -0.388
99 HA ARG 14 HA ARG 14 44.481 10.982 -2.165
100 HB2 ARG 14 HB2 ARG 14 43.014 10.388 -0.090
101 HB3 ARG 14 HB1 ARG 14 41.856 11.530 -0.801
102 HG2 ARG 14 HG2 ARG 14 43.041 9.191 -2.366
103 HG3 ARG 14 HG1 ARG 14 41.551 9.054 -1.415
104 HD2 ARG 14 HD2 ARG 14 40.683 11.082 -2.758
105 HD3 ARG 14 HD1 ARG 14 42.062 10.801 -3.846
106 HE ARG 14 HE ARG 14 40.870 8.980 -4.725
107 HH11 ARG 14 HH11 ARG 14 39.739 6.999 -4.323
108 HH12 ARG 14 HH12 ARG 14 38.514 7.003 -3.099
109 HH21 ARG 14 HH21 ARG 14 39.314 10.169 -1.934
110 HH22 ARG 14 HH22 ARG 14 38.273 8.797 -1.746
111 H PHE 15 HN PHE 15 45.018 12.504 -3.712
112 HA PHE 15 HA PHE 15 44.579 14.144 -5.301
113 HB2 PHE 15 HB2 PHE 15 41.796 13.095 -4.687
114 HB3 PHE 15 HB1 PHE 15 41.984 14.510 -5.746
115 HD1 PHE 15 HD1 PHE 15 43.874 11.256 -5.288
116 HD2 PHE 15 HD2 PHE 15 41.851 13.917 -8.025
117 HE1 PHE 15 HE1 PHE 15 44.443 9.745 -7.180
118 HE2 PHE 15 HE2 PHE 15 42.425 12.402 -9.915
119 HZ PHE 15 HZ PHE 15 43.685 10.296 -9.487
120 H ILE 16 HN ILE 16 41.672 14.743 -3.311
121 HA ILE 16 HA ILE 16 42.340 17.541 -3.033
122 HB ILE 16 HB ILE 16 40.494 15.896 -1.236
123 HG12 ILE 16 HG12 ILE 16 40.008 17.244 -3.933
124 HG13 ILE 16 HG11 ILE 16 39.850 15.514 -3.557
125 HG21 ILE 16 HG21 ILE 16 39.446 18.006 -0.742
126 HG22 ILE 16 HG22 ILE 16 40.341 18.834 -2.037
127 HG23 ILE 16 HG23 ILE 16 41.193 18.284 -0.576
128 HD11 ILE 16 HD1 ILE 16 37.617 16.322 -3.511
129 HD12 ILE 16 HD2 ILE 16 38.082 17.817 -2.665
130 HD13 ILE 16 HD3 ILE 16 38.085 16.263 -1.796
131 H HIS 17 HN HIS 17 41.979 15.095 -0.382
132 HA HIS 17 HA HIS 17 44.705 15.385 0.505
133 HB2 HIS 17 HB2 HIS 17 43.849 17.711 1.046
134 HB3 HIS 17 HB1 HIS 17 42.726 16.955 2.196
135 HD1 HIS 17 HD1 HIS 17 43.735 15.789 4.315
136 HD2 HIS 17 HD2 HIS 17 46.529 17.820 1.917
137 HE1 HIS 17 HE1 HIS 17 45.903 15.963 5.654
138 H GLY 18 HN GLY 18 43.454 12.981 0.268
139 HA2 GLY 18 HA1 GLY 18 43.593 11.218 2.002
140 HA3 GLY 18 HA2 GLY 18 42.831 12.317 3.164
141 H MET 19 HN MET 19 41.002 13.400 1.322
142 HA MET 19 HA MET 19 39.313 12.399 -0.175
143 HB2 MET 19 HB2 MET 19 39.337 10.091 0.384
144 HB3 MET 19 HB1 MET 19 38.947 10.428 2.074
145 HG2 MET 19 HG2 MET 19 36.713 11.122 1.518
146 HG3 MET 19 HG1 MET 19 37.099 11.163 -0.219
147 HE1 MET 19 HE1 MET 19 36.339 7.552 2.500
148 HE2 MET 19 HE2 MET 19 35.502 9.121 2.575
149 HE3 MET 19 HE3 MET 19 37.240 9.021 2.940
150 H ILE 20 HN ILE 20 38.748 14.460 -0.140
151 HA ILE 20 HA ILE 20 37.391 16.255 0.458
152 HB ILE 20 HB ILE 20 35.852 14.457 2.387
153 HG12 ILE 20 HG12 ILE 20 35.871 13.067 0.462
154 HG13 ILE 20 HG11 ILE 20 34.339 13.948 0.348
155 HG21 ILE 20 HG21 ILE 20 35.146 16.731 2.487
156 HG22 ILE 20 HG22 ILE 20 33.931 15.910 1.490
157 HG23 ILE 20 HG23 ILE 20 35.176 16.920 0.724
158 HD11 ILE 20 HD1 ILE 20 36.870 14.300 -1.281
159 HD12 ILE 20 HD2 ILE 20 35.729 15.651 -1.118
160 HD13 ILE 20 HD3 ILE 20 35.193 14.121 -1.841
161 H GLN 21 HN GLN 21 39.690 14.984 1.851
162 HA GLN 21 HA GLN 21 41.103 15.848 3.547
163 HB2 GLN 21 HB2 GLN 21 39.352 17.858 3.759
164 HB3 GLN 21 HB1 GLN 21 38.759 16.935 5.158
165 HG2 GLN 21 HG2 GLN 21 40.404 18.449 6.020
166 HG3 GLN 21 HG1 GLN 21 41.190 16.853 5.969
167 HE21 GLN 21 HE21 GLN 21 40.548 19.172 3.256
168 HE22 GLN 21 HE22 GLN 21 42.253 19.350 2.824
169 H ASN 22 HN ASN 22 39.670 13.499 3.006
170 HA ASN 22 HA ASN 22 38.882 11.557 3.930
171 HB2 ASN 22 HB2 ASN 22 41.163 11.232 4.326
172 HB3 ASN 22 HB1 ASN 22 41.158 12.292 5.768
173 HD21 ASN 22 HD21 ASN 22 41.301 11.051 7.647
174 HD22 ASN 22 HD22 ASN 22 40.488 9.500 7.884
175 H HIS 23 HN HIS 23 36.999 12.989 4.225
176 HA HIS 23 HA HIS 23 36.265 13.732 6.941
177 HB2 HIS 23 HB2 HIS 23 35.258 14.684 4.838
178 HB3 HIS 23 HB1 HIS 23 34.429 13.127 4.590
179 HD1 HIS 23 HD1 HIS 23 32.318 12.674 5.913
180 HD2 HIS 23 HD2 HIS 23 34.366 16.108 7.214
181 HE1 HIS 23 HE1 HIS 23 30.834 13.839 7.637
182 H HIS 24 HN HIS 24 35.750 12.449 8.578
183 HA HIS 24 HA HIS 24 35.552 9.632 8.394
184 HB2 HIS 24 HB2 HIS 24 35.969 10.875 10.497
185 HB3 HIS 24 HB1 HIS 24 34.290 11.466 10.472
186 HD1 HIS 24 HD1 HIS 24 32.441 9.894 11.244
187 HD2 HIS 24 HD2 HIS 24 36.208 8.041 11.007
188 HE1 HIS 24 HE1 HIS 24 32.213 7.570 12.282
Start of MODEL 49
1 H1 PHE 1 HT1 PHE 1 60.383 3.073 3.382
2 H2 PHE 1 HT2 PHE 1 61.338 3.645 2.098
3 H3 PHE 1 HT3 PHE 1 60.729 2.059 2.069
4 HA PHE 1 HA PHE 1 59.625 4.205 0.882
5 HB2 PHE 1 HB2 PHE 1 58.410 1.569 1.799
6 HB3 PHE 1 HB1 PHE 1 57.636 2.677 0.639
7 HD1 PHE 1 HD1 PHE 1 58.500 2.944 -1.623
8 HD2 PHE 1 HD2 PHE 1 60.534 0.423 1.230
9 HE1 PHE 1 HE1 PHE 1 59.879 1.978 -3.460
10 HE2 PHE 1 HE2 PHE 1 61.913 -0.543 -0.608
11 HZ PHE 1 HZ PHE 1 61.582 0.232 -2.953
12 H LEU 2 HN LEU 2 58.185 5.761 1.322
13 HA LEU 2 HA LEU 2 57.393 6.161 4.115
14 HB2 LEU 2 HB2 LEU 2 56.376 7.749 1.736
15 HB3 LEU 2 HB1 LEU 2 56.640 8.292 3.411
16 HG LEU 2 HG LEU 2 58.790 7.518 1.388
17 HD11 LEU 2 HD11 LEU 2 58.106 10.166 2.743
18 HD12 LEU 2 HD12 LEU 2 57.738 9.749 1.053
19 HD13 LEU 2 HD13 LEU 2 59.429 9.894 1.586
20 HD21 LEU 2 HD21 LEU 2 60.320 8.403 3.266
21 HD22 LEU 2 HD22 LEU 2 59.589 6.804 3.537
22 HD23 LEU 2 HD23 LEU 2 58.916 8.239 4.347
23 H GLY 3 HN GLY 3 56.307 3.823 3.702
24 HA2 GLY 3 HA1 GLY 3 54.324 2.632 3.570
25 HA3 GLY 3 HA2 GLY 3 53.585 4.106 4.225
26 H ALA 4 HN ALA 4 55.214 4.316 1.171
27 HA ALA 4 HA ALA 4 52.954 3.630 -0.500
28 HB1 ALA 4 HB1 ALA 4 53.435 6.584 0.043
29 HB2 ALA 4 HB2 ALA 4 51.995 5.649 0.511
30 HB3 ALA 4 HB3 ALA 4 52.356 5.924 -1.209
31 H LEU 5 HN LEU 5 54.007 6.373 -1.915
32 HA LEU 5 HA LEU 5 56.659 5.421 -2.817
33 HB2 LEU 5 HB2 LEU 5 55.956 5.471 -5.229
34 HB3 LEU 5 HB1 LEU 5 55.294 4.102 -4.311
35 HG LEU 5 HG LEU 5 53.616 6.627 -4.429
36 HD11 LEU 5 HD11 LEU 5 53.854 4.662 -6.752
37 HD12 LEU 5 HD12 LEU 5 54.374 6.365 -6.771
38 HD13 LEU 5 HD13 LEU 5 52.648 5.964 -6.606
39 HD21 LEU 5 HD21 LEU 5 52.812 4.660 -3.165
40 HD22 LEU 5 HD22 LEU 5 52.996 3.637 -4.607
41 HD23 LEU 5 HD23 LEU 5 51.782 4.937 -4.586
42 H ILE 6 HN ILE 6 56.424 7.603 -1.415
43 HA ILE 6 HA ILE 6 56.562 9.947 -1.385
44 HB ILE 6 HB ILE 6 57.644 9.868 -4.243
45 HG12 ILE 6 HG12 ILE 6 59.003 8.652 -1.792
46 HG13 ILE 6 HG11 ILE 6 58.519 7.793 -3.274
47 HG21 ILE 6 HG21 ILE 6 59.094 11.575 -3.453
48 HG22 ILE 6 HG22 ILE 6 58.885 11.101 -1.750
49 HG23 ILE 6 HG23 ILE 6 57.564 11.917 -2.615
50 HD11 ILE 6 HD1 ILE 6 60.690 9.895 -2.949
51 HD12 ILE 6 HD2 ILE 6 60.044 9.437 -4.544
52 HD13 ILE 6 HD3 ILE 6 60.856 8.222 -3.528
53 H LYS 7 HN LYS 7 56.575 11.509 -4.053
54 HA LYS 7 HA LYS 7 54.901 12.910 -4.879
55 HB2 LYS 7 HB2 LYS 7 53.086 10.448 -4.781
56 HB3 LYS 7 HB1 LYS 7 52.844 11.906 -5.772
57 HG2 LYS 7 HG2 LYS 7 55.071 11.378 -6.898
58 HG3 LYS 7 HG1 LYS 7 55.034 9.809 -6.058
59 HD2 LYS 7 HD2 LYS 7 52.832 9.313 -7.102
60 HD3 LYS 7 HD1 LYS 7 52.903 10.866 -7.969
61 HE2 LYS 7 HE2 LYS 7 55.046 8.713 -8.202
62 HE3 LYS 7 HE1 LYS 7 53.675 8.862 -9.328
63 HZ1 LYS 7 HZ1 LYS 7 54.506 11.335 -9.409
64 HZ2 LYS 7 HZ2 LYS 7 55.223 10.140 -10.380
65 HZ3 LYS 7 HZ3 LYS 7 55.982 10.641 -8.945
66 H GLY 8 HN GLY 8 55.601 12.139 -2.380
67 HA2 GLY 8 HA1 GLY 8 55.163 11.995 -0.210
68 HA3 GLY 8 HA2 GLY 8 54.468 13.641 -0.479
69 H ALA 9 HN ALA 9 53.811 10.186 -0.317
70 HA ALA 9 HA ALA 9 51.943 8.993 0.281
71 HB1 ALA 9 HB1 ALA 9 50.471 9.904 1.915
72 HB2 ALA 9 HB2 ALA 9 50.800 11.574 1.394
73 HB3 ALA 9 HB3 ALA 9 52.059 10.638 2.235
74 H ILE 10 HN ILE 10 51.715 9.002 -2.116
75 HA ILE 10 HA ILE 10 50.325 9.022 -3.949
76 HB ILE 10 HB ILE 10 48.336 9.566 -1.733
77 HG12 ILE 10 HG12 ILE 10 47.243 7.583 -2.734
78 HG13 ILE 10 HG11 ILE 10 48.441 7.590 -4.050
79 HG21 ILE 10 HG21 ILE 10 47.407 11.159 -3.224
80 HG22 ILE 10 HG22 ILE 10 46.491 9.668 -3.542
81 HG23 ILE 10 HG23 ILE 10 47.787 10.170 -4.655
82 HD11 ILE 10 HD1 ILE 10 50.249 7.140 -2.513
83 HD12 ILE 10 HD2 ILE 10 48.948 5.986 -2.135
84 HD13 ILE 10 HD3 ILE 10 49.197 7.416 -1.105
85 H HIS 11 HN HIS 11 49.153 11.894 -2.129
86 HA HIS 11 HA HIS 11 50.518 13.688 -4.035
87 HB2 HIS 11 HB2 HIS 11 48.373 13.063 -5.195
88 HB3 HIS 11 HB1 HIS 11 47.479 13.716 -3.801
89 HD1 HIS 11 HD1 HIS 11 50.654 15.278 -5.213
90 HD2 HIS 11 HD2 HIS 11 46.519 16.036 -5.072
91 HE1 HIS 11 HE1 HIS 11 50.281 17.635 -6.125
92 H GLY 12 HN GLY 12 49.596 12.767 -1.076
93 HA2 GLY 12 HA1 GLY 12 50.361 14.175 0.799
94 HA3 GLY 12 HA2 GLY 12 49.650 15.588 -0.002
95 H GLY 13 HN GLY 13 48.204 12.351 0.296
96 HA2 GLY 13 HA1 GLY 13 46.133 11.754 1.156
97 HA3 GLY 13 HA2 GLY 13 46.669 12.649 2.590
98 H ARG 14 HN ARG 14 45.168 13.086 -0.630
99 HA ARG 14 HA ARG 14 43.073 14.747 0.526
100 HB2 ARG 14 HB2 ARG 14 45.067 16.331 0.363
101 HB3 ARG 14 HB1 ARG 14 44.988 16.118 -1.397
102 HG2 ARG 14 HG2 ARG 14 43.718 18.091 -0.964
103 HG3 ARG 14 HG1 ARG 14 42.515 16.817 -1.242
104 HD2 ARG 14 HD2 ARG 14 41.919 16.707 1.043
105 HD3 ARG 14 HD1 ARG 14 43.451 17.431 1.586
106 HE ARG 14 HE ARG 14 41.071 18.887 0.821
107 HH11 ARG 14 HH11 ARG 14 43.052 19.953 2.743
108 HH12 ARG 14 HH12 ARG 14 43.834 21.203 1.834
109 HH21 ARG 14 HH21 ARG 14 42.706 20.044 -1.234
110 HH22 ARG 14 HH22 ARG 14 43.637 21.255 -0.416
111 H PHE 15 HN PHE 15 44.862 13.613 -2.327
112 HA PHE 15 HA PHE 15 42.913 14.135 -4.305
113 HB2 PHE 15 HB2 PHE 15 45.282 13.216 -4.603
114 HB3 PHE 15 HB1 PHE 15 44.616 11.618 -4.193
115 HD1 PHE 15 HD1 PHE 15 43.803 10.276 -5.970
116 HD2 PHE 15 HD2 PHE 15 43.882 14.569 -6.433
117 HE1 PHE 15 HE1 PHE 15 43.003 10.040 -8.315
118 HE2 PHE 15 HE2 PHE 15 43.081 14.329 -8.778
119 HZ PHE 15 HZ PHE 15 42.575 12.069 -9.696
120 H ILE 16 HN ILE 16 43.264 11.327 -2.111
121 HA ILE 16 HA ILE 16 40.367 10.837 -2.291
122 HB ILE 16 HB ILE 16 40.719 8.388 -2.909
123 HG12 ILE 16 HG12 ILE 16 43.441 9.496 -3.759
124 HG13 ILE 16 HG11 ILE 16 43.154 8.262 -2.514
125 HG21 ILE 16 HG21 ILE 16 41.577 10.279 -5.138
126 HG22 ILE 16 HG22 ILE 16 39.918 10.264 -4.495
127 HG23 ILE 16 HG23 ILE 16 40.585 8.809 -5.262
128 HD11 ILE 16 HD1 ILE 16 42.801 8.035 -5.519
129 HD12 ILE 16 HD2 ILE 16 41.977 6.911 -4.409
130 HD13 ILE 16 HD3 ILE 16 43.754 7.002 -4.429
131 H HIS 17 HN HIS 17 41.351 11.674 -0.097
132 HA HIS 17 HA HIS 17 41.152 9.389 1.711
133 HB2 HIS 17 HB2 HIS 17 43.583 9.318 1.056
134 HB3 HIS 17 HB1 HIS 17 43.761 10.960 1.721
135 HD1 HIS 17 HD1 HIS 17 41.785 7.983 3.134
136 HD2 HIS 17 HD2 HIS 17 44.938 10.554 4.192
137 HE1 HIS 17 HE1 HIS 17 42.480 7.395 5.521
138 H GLY 18 HN GLY 18 41.206 12.677 0.854
139 HA2 GLY 18 HA1 GLY 18 40.052 13.417 3.512
140 HA3 GLY 18 HA2 GLY 18 41.371 14.392 2.829
141 H MET 19 HN MET 19 38.563 12.765 1.385
142 HA MET 19 HA MET 19 36.968 15.106 0.857
143 HB2 MET 19 HB2 MET 19 38.812 15.645 -0.541
144 HB3 MET 19 HB1 MET 19 38.725 14.057 -1.286
145 HG2 MET 19 HG2 MET 19 36.580 14.557 -2.295
146 HG3 MET 19 HG1 MET 19 36.441 16.059 -1.356
147 HE1 MET 19 HE1 MET 19 36.478 15.088 -4.611
148 HE2 MET 19 HE2 MET 19 37.034 16.601 -5.363
149 HE3 MET 19 HE3 MET 19 35.792 16.646 -4.090
150 H ILE 20 HN ILE 20 38.151 12.115 -0.778
151 HA ILE 20 HA ILE 20 35.415 11.236 -1.373
152 HB ILE 20 HB ILE 20 38.141 9.846 -1.285
153 HG12 ILE 20 HG12 ILE 20 37.805 9.587 -3.662
154 HG13 ILE 20 HG11 ILE 20 36.094 10.053 -3.537
155 HG21 ILE 20 HG21 ILE 20 36.862 7.795 -2.161
156 HG22 ILE 20 HG22 ILE 20 35.381 8.585 -1.568
157 HG23 ILE 20 HG23 ILE 20 36.673 8.144 -0.426
158 HD11 ILE 20 HD1 ILE 20 36.631 12.333 -3.083
159 HD12 ILE 20 HD2 ILE 20 37.732 11.857 -4.398
160 HD13 ILE 20 HD3 ILE 20 38.331 11.949 -2.726
161 H GLN 21 HN GLN 21 37.384 11.847 1.180
162 HA GLN 21 HA GLN 21 35.818 10.220 3.125
163 HB2 GLN 21 HB2 GLN 21 38.303 9.680 2.954
164 HB3 GLN 21 HB1 GLN 21 38.624 11.348 3.484
165 HG2 GLN 21 HG2 GLN 21 37.211 10.916 5.522
166 HG3 GLN 21 HG1 GLN 21 37.064 9.217 5.010
167 HE21 GLN 21 HE21 GLN 21 39.102 7.914 4.882
168 HE22 GLN 21 HE22 GLN 21 40.484 8.396 5.873
169 H ASN 22 HN ASN 22 37.027 13.509 1.977
170 HA ASN 22 HA ASN 22 35.538 14.599 4.449
171 HB2 ASN 22 HB2 ASN 22 37.700 16.023 2.870
172 HB3 ASN 22 HB1 ASN 22 36.901 16.573 4.353
173 HD21 ASN 22 HD21 ASN 22 39.649 16.400 4.500
174 HD22 ASN 22 HD22 ASN 22 40.117 14.980 5.442
175 H HIS 23 HN HIS 23 34.505 13.805 1.717
176 HA HIS 23 HA HIS 23 33.009 14.666 0.169
177 HB2 HIS 23 HB2 HIS 23 31.856 15.221 2.358
178 HB3 HIS 23 HB1 HIS 23 32.542 16.857 2.228
179 HD1 HIS 23 HD1 HIS 23 30.921 14.570 -0.414
180 HD2 HIS 23 HD2 HIS 23 30.431 18.381 1.291
181 HE1 HIS 23 HE1 HIS 23 29.045 15.740 -1.692
182 H HIS 24 HN HIS 24 32.429 16.547 -1.230
183 HA HIS 24 HA HIS 24 34.825 17.769 -2.231
184 HB2 HIS 24 HB2 HIS 24 32.822 17.303 -3.618
185 HB3 HIS 24 HB1 HIS 24 31.922 18.548 -2.719
186 HD1 HIS 24 HD1 HIS 24 34.764 18.089 -5.194
187 HD2 HIS 24 HD2 HIS 24 32.671 21.228 -3.336
188 HE1 HIS 24 HE1 HIS 24 35.384 20.247 -6.415
Start of MODEL 50
1 H1 PHE 1 HT1 PHE 1 58.085 3.364 -13.146
2 H2 PHE 1 HT2 PHE 1 56.722 4.311 -13.511
3 H3 PHE 1 HT3 PHE 1 57.128 2.984 -14.492
4 HA PHE 1 HA PHE 1 55.241 2.751 -12.823
5 HB2 PHE 1 HB2 PHE 1 57.522 0.737 -12.964
6 HB3 PHE 1 HB1 PHE 1 55.845 0.382 -12.483
7 HD1 PHE 1 HD1 PHE 1 58.129 0.938 -15.284
8 HD2 PHE 1 HD2 PHE 1 53.970 0.736 -14.143
9 HE1 PHE 1 HE1 PHE 1 57.485 0.669 -17.675
10 HE2 PHE 1 HE2 PHE 1 53.328 0.465 -16.535
11 HZ PHE 1 HZ PHE 1 55.079 0.522 -18.306
12 H LEU 2 HN LEU 2 55.608 4.389 -11.140
13 HA LEU 2 HA LEU 2 57.518 3.837 -9.017
14 HB2 LEU 2 HB2 LEU 2 55.140 5.697 -9.319
15 HB3 LEU 2 HB1 LEU 2 56.018 5.571 -7.784
16 HG LEU 2 HG LEU 2 56.748 7.450 -9.372
17 HD11 LEU 2 HD11 LEU 2 59.017 7.323 -8.715
18 HD12 LEU 2 HD12 LEU 2 59.049 5.549 -8.784
19 HD13 LEU 2 HD13 LEU 2 58.168 6.373 -7.479
20 HD21 LEU 2 HD21 LEU 2 58.102 5.180 -10.893
21 HD22 LEU 2 HD22 LEU 2 58.114 6.914 -11.285
22 HD23 LEU 2 HD23 LEU 2 56.608 5.979 -11.438
23 H GLY 3 HN GLY 3 57.242 2.860 -7.058
24 HA2 GLY 3 HA1 GLY 3 55.178 0.847 -6.900
25 HA3 GLY 3 HA2 GLY 3 56.357 1.255 -5.639
26 H ALA 4 HN ALA 4 54.767 4.040 -6.639
27 HA ALA 4 HA ALA 4 53.227 5.390 -5.552
28 HB1 ALA 4 HB1 ALA 4 51.078 4.429 -5.092
29 HB2 ALA 4 HB2 ALA 4 51.776 2.800 -4.927
30 HB3 ALA 4 HB3 ALA 4 51.734 3.595 -6.520
31 H LEU 5 HN LEU 5 54.980 5.750 -3.956
32 HA LEU 5 HA LEU 5 53.907 5.353 -1.266
33 HB2 LEU 5 HB2 LEU 5 56.234 4.296 -0.543
34 HB3 LEU 5 HB1 LEU 5 54.936 3.252 -1.167
35 HG LEU 5 HG LEU 5 55.932 3.257 -3.399
36 HD11 LEU 5 HD11 LEU 5 57.854 5.259 -2.147
37 HD12 LEU 5 HD12 LEU 5 56.872 5.442 -3.621
38 HD13 LEU 5 HD13 LEU 5 58.270 4.345 -3.617
39 HD21 LEU 5 HD21 LEU 5 57.996 2.034 -2.889
40 HD22 LEU 5 HD22 LEU 5 56.759 1.639 -1.671
41 HD23 LEU 5 HD23 LEU 5 58.069 2.777 -1.274
42 H ILE 6 HN ILE 6 54.901 7.380 -3.324
43 HA ILE 6 HA ILE 6 56.386 9.046 -1.319
44 HB ILE 6 HB ILE 6 58.027 7.738 -2.955
45 HG12 ILE 6 HG12 ILE 6 59.320 10.091 -3.273
46 HG13 ILE 6 HG11 ILE 6 58.025 10.679 -2.206
47 HG21 ILE 6 HG21 ILE 6 56.446 8.656 -4.970
48 HG22 ILE 6 HG22 ILE 6 58.177 8.317 -5.187
49 HG23 ILE 6 HG23 ILE 6 57.630 9.984 -4.925
50 HD11 ILE 6 HD1 ILE 6 58.625 8.656 -0.686
51 HD12 ILE 6 HD2 ILE 6 59.758 10.027 -0.722
52 HD13 ILE 6 HD3 ILE 6 60.117 8.552 -1.649
53 H LYS 7 HN LYS 7 57.001 10.993 -3.584
54 HA LYS 7 HA LYS 7 55.890 12.969 -4.112
55 HB2 LYS 7 HB2 LYS 7 53.499 11.113 -4.602
56 HB3 LYS 7 HB1 LYS 7 53.587 12.820 -5.091
57 HG2 LYS 7 HG2 LYS 7 55.286 12.397 -6.703
58 HG3 LYS 7 HG1 LYS 7 55.674 10.805 -6.009
59 HD2 LYS 7 HD2 LYS 7 54.384 10.524 -8.084
60 HD3 LYS 7 HD1 LYS 7 53.420 9.981 -6.690
61 HE2 LYS 7 HE2 LYS 7 52.089 11.971 -6.707
62 HE3 LYS 7 HE1 LYS 7 53.210 12.800 -7.814
63 HZ1 LYS 7 HZ1 LYS 7 52.657 11.058 -9.480
64 HZ2 LYS 7 HZ2 LYS 7 51.341 12.048 -9.060
65 HZ3 LYS 7 HZ3 LYS 7 51.459 10.475 -8.430
66 H GLY 8 HN GLY 8 56.159 11.542 -1.828
67 HA2 GLY 8 HA1 GLY 8 55.562 11.126 0.268
68 HA3 GLY 8 HA2 GLY 8 55.401 12.924 0.337
69 H ALA 9 HN ALA 9 53.690 9.939 -0.502
70 HA ALA 9 HA ALA 9 51.553 9.232 -0.048
71 HB1 ALA 9 HB1 ALA 9 50.928 11.805 1.429
72 HB2 ALA 9 HB2 ALA 9 51.970 10.565 2.161
73 HB3 ALA 9 HB3 ALA 9 50.297 10.166 1.706
74 H ILE 10 HN ILE 10 51.574 9.623 -2.384
75 HA ILE 10 HA ILE 10 50.862 10.699 -4.324
76 HB ILE 10 HB ILE 10 48.329 10.957 -4.411
77 HG12 ILE 10 HG12 ILE 10 48.226 11.401 -1.829
78 HG13 ILE 10 HG11 ILE 10 46.947 10.452 -2.584
79 HG21 ILE 10 HG21 ILE 10 49.800 8.416 -3.683
80 HG22 ILE 10 HG22 ILE 10 49.054 8.900 -5.219
81 HG23 ILE 10 HG23 ILE 10 48.030 8.365 -3.869
82 HD11 ILE 10 HD1 ILE 10 48.167 9.617 -0.328
83 HD12 ILE 10 HD2 ILE 10 49.305 8.918 -1.493
84 HD13 ILE 10 HD3 ILE 10 47.593 8.469 -1.554
85 H HIS 11 HN HIS 11 48.177 12.485 -3.497
86 HA HIS 11 HA HIS 11 49.662 14.982 -3.969
87 HB2 HIS 11 HB2 HIS 11 46.726 14.336 -3.486
88 HB3 HIS 11 HB1 HIS 11 47.334 15.993 -3.716
89 HD1 HIS 11 HD1 HIS 11 46.191 16.344 -6.009
90 HD2 HIS 11 HD2 HIS 11 48.875 13.111 -5.902
91 HE1 HIS 11 HE1 HIS 11 46.542 15.564 -8.417
92 H GLY 12 HN GLY 12 50.436 13.583 -1.582
93 HA2 GLY 12 HA1 GLY 12 50.860 14.066 0.640
94 HA3 GLY 12 HA2 GLY 12 50.424 15.746 0.269
95 H GLY 13 HN GLY 13 48.506 12.728 0.166
96 HA2 GLY 13 HA1 GLY 13 46.572 12.147 1.298
97 HA3 GLY 13 HA2 GLY 13 47.068 13.258 2.592
98 H ARG 14 HN ARG 14 45.864 13.374 -0.792
99 HA ARG 14 HA ARG 14 43.589 15.013 0.033
100 HB2 ARG 14 HB2 ARG 14 45.298 16.764 0.033
101 HB3 ARG 14 HB1 ARG 14 45.847 16.271 -1.584
102 HG2 ARG 14 HG2 ARG 14 44.363 18.290 -1.631
103 HG3 ARG 14 HG1 ARG 14 43.699 16.936 -2.567
104 HD2 ARG 14 HD2 ARG 14 42.031 16.480 -0.952
105 HD3 ARG 14 HD1 ARG 14 42.919 17.319 0.345
106 HE ARG 14 HE ARG 14 41.103 18.559 -1.565
107 HH11 ARG 14 HH11 ARG 14 43.916 18.937 0.394
108 HH12 ARG 14 HH12 ARG 14 43.757 20.657 0.522
109 HH21 ARG 14 HH21 ARG 14 40.888 20.804 -1.418
110 HH22 ARG 14 HH22 ARG 14 42.044 21.714 -0.503
111 H PHE 15 HN PHE 15 45.490 13.210 -2.219
112 HA PHE 15 HA PHE 15 44.207 13.629 -4.672
113 HB2 PHE 15 HB2 PHE 15 46.097 12.005 -4.167
114 HB3 PHE 15 HB1 PHE 15 44.861 10.874 -3.568
115 HD1 PHE 15 HD1 PHE 15 45.612 13.050 -6.556
116 HD2 PHE 15 HD2 PHE 15 43.854 9.381 -5.108
117 HE1 PHE 15 HE1 PHE 15 45.142 12.348 -8.899
118 HE2 PHE 15 HE2 PHE 15 43.387 8.681 -7.452
119 HZ PHE 15 HZ PHE 15 44.074 10.142 -9.349
120 H ILE 16 HN ILE 16 42.902 12.353 -1.735
121 HA ILE 16 HA ILE 16 40.270 11.938 -3.107
122 HB ILE 16 HB ILE 16 41.289 9.998 -0.985
123 HG12 ILE 16 HG12 ILE 16 41.377 9.755 -4.027
124 HG13 ILE 16 HG11 ILE 16 42.776 9.810 -2.930
125 HG21 ILE 16 HG21 ILE 16 39.395 8.674 -1.651
126 HG22 ILE 16 HG22 ILE 16 39.108 9.683 -3.088
127 HG23 ILE 16 HG23 ILE 16 38.793 10.337 -1.463
128 HD11 ILE 16 HD1 ILE 16 42.497 7.496 -3.356
129 HD12 ILE 16 HD2 ILE 16 40.724 7.601 -3.277
130 HD13 ILE 16 HD3 ILE 16 41.690 7.723 -1.786
131 H HIS 17 HN HIS 17 41.509 11.343 0.228
132 HA HIS 17 HA HIS 17 40.354 13.815 1.242
133 HB2 HIS 17 HB2 HIS 17 38.853 11.193 1.585
134 HB3 HIS 17 HB1 HIS 17 38.721 12.493 2.791
135 HD1 HIS 17 HD1 HIS 17 37.606 11.452 -0.620
136 HD2 HIS 17 HD2 HIS 17 37.458 14.894 1.791
137 HE1 HIS 17 HE1 HIS 17 35.957 13.073 -1.706
138 H GLY 18 HN GLY 18 42.632 13.786 1.845
139 HA2 GLY 18 HA1 GLY 18 44.282 13.492 3.454
140 HA3 GLY 18 HA2 GLY 18 43.013 12.955 4.555
141 H MET 19 HN MET 19 43.676 11.340 1.516
142 HA MET 19 HA MET 19 44.548 9.239 1.271
143 HB2 MET 19 HB2 MET 19 46.374 10.222 2.878
144 HB3 MET 19 HB1 MET 19 45.651 9.062 4.013
145 HG2 MET 19 HG2 MET 19 46.064 7.220 2.418
146 HG3 MET 19 HG1 MET 19 46.763 8.374 1.256
147 HE1 MET 19 HE1 MET 19 48.387 6.038 1.779
148 HE2 MET 19 HE2 MET 19 49.988 6.633 2.282
149 HE3 MET 19 HE3 MET 19 49.103 7.455 0.974
150 H ILE 20 HN ILE 20 42.180 10.063 3.197
151 HA ILE 20 HA ILE 20 40.489 8.830 4.205
152 HB ILE 20 HB ILE 20 41.598 6.317 2.861
153 HG12 ILE 20 HG12 ILE 20 41.225 8.305 1.234
154 HG13 ILE 20 HG11 ILE 20 40.400 6.781 0.862
155 HG21 ILE 20 HG21 ILE 20 39.121 5.729 2.879
156 HG22 ILE 20 HG22 ILE 20 38.872 7.151 3.917
157 HG23 ILE 20 HG23 ILE 20 39.906 5.814 4.472
158 HD11 ILE 20 HD1 ILE 20 38.991 8.925 0.666
159 HD12 ILE 20 HD2 ILE 20 39.046 9.005 2.439
160 HD13 ILE 20 HD3 ILE 20 38.294 7.608 1.636
161 H GLN 21 HN GLN 21 43.810 8.324 4.375
162 HA GLN 21 HA GLN 21 43.541 6.716 6.946
163 HB2 GLN 21 HB2 GLN 21 44.914 5.765 4.985
164 HB3 GLN 21 HB1 GLN 21 46.054 7.099 5.270
165 HG2 GLN 21 HG2 GLN 21 46.500 6.337 7.526
166 HG3 GLN 21 HG1 GLN 21 45.189 5.135 7.440
167 HE21 GLN 21 HE21 GLN 21 48.525 5.850 6.491
168 HE22 GLN 21 HE22 GLN 21 48.849 4.263 5.786
169 H ASN 22 HN ASN 22 43.843 9.823 5.711
170 HA ASN 22 HA ASN 22 45.267 10.714 8.203
171 HB2 ASN 22 HB2 ASN 22 46.340 10.944 5.619
172 HB3 ASN 22 HB1 ASN 22 45.484 12.493 5.799
173 HD21 ASN 22 HD21 ASN 22 46.484 14.111 7.045
174 HD22 ASN 22 HD22 ASN 22 47.926 13.834 8.029
175 H HIS 23 HN HIS 23 42.838 10.946 5.661
176 HA HIS 23 HA HIS 23 40.944 12.351 5.517
177 HB2 HIS 23 HB2 HIS 23 39.555 12.326 7.612
178 HB3 HIS 23 HB1 HIS 23 40.148 10.724 7.115
179 HD1 HIS 23 HD1 HIS 23 40.575 13.411 9.745
180 HD2 HIS 23 HD2 HIS 23 42.161 9.625 8.830
181 HE1 HIS 23 HE1 HIS 23 41.879 12.617 11.793
182 H HIS 24 HN HIS 24 41.749 14.360 4.949
183 HA HIS 24 HA HIS 24 42.274 16.603 5.241
184 HB2 HIS 24 HB2 HIS 24 39.910 16.532 6.083
185 HB3 HIS 24 HB1 HIS 24 40.549 16.336 7.734
186 HD1 HIS 24 HD1 HIS 24 42.872 18.418 5.912
187 HD2 HIS 24 HD2 HIS 24 39.223 19.067 7.899
188 HE1 HIS 24 HE1 HIS 24 42.678 20.928 6.347
Start of MODEL 51
1 H1 PHE 1 HT1 PHE 1 59.705 3.749 -10.887
2 H2 PHE 1 HT2 PHE 1 59.755 4.175 -12.532
3 H3 PHE 1 HT3 PHE 1 60.198 2.610 -12.040
4 HA PHE 1 HA PHE 1 57.714 3.537 -12.822
5 HB2 PHE 1 HB2 PHE 1 58.802 1.296 -13.216
6 HB3 PHE 1 HB1 PHE 1 58.462 0.893 -11.517
7 HD1 PHE 1 HD1 PHE 1 56.774 2.134 -14.648
8 HD2 PHE 1 HD2 PHE 1 56.357 -0.043 -10.942
9 HE1 PHE 1 HE1 PHE 1 54.451 1.497 -15.282
10 HE2 PHE 1 HE2 PHE 1 54.034 -0.681 -11.580
11 HZ PHE 1 HZ PHE 1 53.092 0.063 -13.763
12 H LEU 2 HN LEU 2 59.109 3.654 -9.744
13 HA LEU 2 HA LEU 2 56.844 2.954 -8.109
14 HB2 LEU 2 HB2 LEU 2 58.954 5.025 -7.411
15 HB3 LEU 2 HB1 LEU 2 58.043 3.964 -6.312
16 HG LEU 2 HG LEU 2 60.139 3.097 -8.352
17 HD11 LEU 2 HD11 LEU 2 61.444 2.471 -6.387
18 HD12 LEU 2 HD12 LEU 2 60.103 2.923 -5.307
19 HD13 LEU 2 HD13 LEU 2 60.962 4.177 -6.234
20 HD21 LEU 2 HD21 LEU 2 59.773 0.832 -7.132
21 HD22 LEU 2 HD22 LEU 2 58.532 1.331 -8.304
22 HD23 LEU 2 HD23 LEU 2 58.239 1.530 -6.558
23 H GLY 3 HN GLY 3 55.245 4.197 -7.161
24 HA2 GLY 3 HA1 GLY 3 55.049 7.043 -7.521
25 HA3 GLY 3 HA2 GLY 3 54.068 6.209 -8.742
26 H ALA 4 HN ALA 4 54.758 6.000 -5.220
27 HA ALA 4 HA ALA 4 51.990 6.459 -4.525
28 HB1 ALA 4 HB1 ALA 4 51.484 4.204 -3.643
29 HB2 ALA 4 HB2 ALA 4 52.996 3.597 -4.360
30 HB3 ALA 4 HB3 ALA 4 51.689 4.199 -5.410
31 H LEU 5 HN LEU 5 54.992 4.755 -3.552
32 HA LEU 5 HA LEU 5 54.632 5.233 -0.734
33 HB2 LEU 5 HB2 LEU 5 57.008 4.542 -2.491
34 HB3 LEU 5 HB1 LEU 5 57.222 4.859 -0.754
35 HG LEU 5 HG LEU 5 55.582 3.088 -0.216
36 HD11 LEU 5 HD11 LEU 5 54.942 1.538 -2.190
37 HD12 LEU 5 HD12 LEU 5 55.409 2.890 -3.250
38 HD13 LEU 5 HD13 LEU 5 54.086 3.092 -2.076
39 HD21 LEU 5 HD21 LEU 5 57.701 2.120 -2.189
40 HD22 LEU 5 HD22 LEU 5 56.970 1.177 -0.867
41 HD23 LEU 5 HD23 LEU 5 58.023 2.564 -0.496
42 H ILE 6 HN ILE 6 55.441 7.288 -3.351
43 HA ILE 6 HA ILE 6 56.275 9.446 -1.378
44 HB ILE 6 HB ILE 6 57.340 9.535 -4.241
45 HG12 ILE 6 HG12 ILE 6 59.471 8.318 -3.131
46 HG13 ILE 6 HG11 ILE 6 58.230 7.550 -2.118
47 HG21 ILE 6 HG21 ILE 6 58.732 10.221 -1.624
48 HG22 ILE 6 HG22 ILE 6 57.576 11.335 -2.390
49 HG23 ILE 6 HG23 ILE 6 59.056 10.856 -3.254
50 HD11 ILE 6 HD1 ILE 6 58.428 6.063 -3.946
51 HD12 ILE 6 HD2 ILE 6 58.616 7.382 -5.124
52 HD13 ILE 6 HD3 ILE 6 57.023 7.050 -4.409
53 H LYS 7 HN LYS 7 56.510 11.239 -3.847
54 HA LYS 7 HA LYS 7 55.037 12.910 -4.542
55 HB2 LYS 7 HB2 LYS 7 54.042 10.847 -5.870
56 HB3 LYS 7 HB1 LYS 7 52.795 10.840 -4.608
57 HG2 LYS 7 HG2 LYS 7 51.777 12.237 -6.191
58 HG3 LYS 7 HG1 LYS 7 52.608 13.437 -5.187
59 HD2 LYS 7 HD2 LYS 7 53.168 14.063 -7.410
60 HD3 LYS 7 HD1 LYS 7 54.603 13.193 -6.832
61 HE2 LYS 7 HE2 LYS 7 54.137 11.289 -8.157
62 HE3 LYS 7 HE1 LYS 7 52.415 11.698 -8.324
63 HZ1 LYS 7 HZ1 LYS 7 53.697 12.150 -10.342
64 HZ2 LYS 7 HZ2 LYS 7 54.665 13.257 -9.491
65 HZ3 LYS 7 HZ3 LYS 7 53.007 13.563 -9.704
66 H GLY 8 HN GLY 8 55.652 11.839 -2.134
67 HA2 GLY 8 HA1 GLY 8 55.179 11.534 0.024
68 HA3 GLY 8 HA2 GLY 8 54.725 13.278 -0.083
69 H ALA 9 HN ALA 9 53.469 10.000 -0.655
70 HA ALA 9 HA ALA 9 51.478 9.026 -0.031
71 HB1 ALA 9 HB1 ALA 9 50.194 9.869 1.739
72 HB2 ALA 9 HB2 ALA 9 50.511 11.565 1.307
73 HB3 ALA 9 HB3 ALA 9 51.791 10.582 2.056
74 H ILE 10 HN ILE 10 51.382 9.305 -2.403
75 HA ILE 10 HA ILE 10 50.431 10.175 -4.359
76 HB ILE 10 HB ILE 10 47.850 9.811 -4.282
77 HG12 ILE 10 HG12 ILE 10 47.947 10.017 -1.630
78 HG13 ILE 10 HG11 ILE 10 46.839 8.872 -2.390
79 HG21 ILE 10 HG21 ILE 10 48.183 7.312 -4.221
80 HG22 ILE 10 HG22 ILE 10 49.855 7.600 -3.678
81 HG23 ILE 10 HG23 ILE 10 49.321 8.188 -5.267
82 HD11 ILE 10 HD1 ILE 10 49.616 8.081 -1.395
83 HD12 ILE 10 HD2 ILE 10 48.297 7.006 -1.902
84 HD13 ILE 10 HD3 ILE 10 48.144 7.960 -0.413
85 H HIS 11 HN HIS 11 47.488 11.176 -2.830
86 HA HIS 11 HA HIS 11 47.140 13.563 -4.079
87 HB2 HIS 11 HB2 HIS 11 45.786 14.304 -2.157
88 HB3 HIS 11 HB1 HIS 11 45.509 12.585 -2.530
89 HD1 HIS 11 HD1 HIS 11 46.180 10.839 -0.789
90 HD2 HIS 11 HD2 HIS 11 47.450 14.724 0.202
91 HE1 HIS 11 HE1 HIS 11 47.017 10.774 1.624
92 H GLY 12 HN GLY 12 49.633 12.973 -1.726
93 HA2 GLY 12 HA1 GLY 12 50.088 15.444 -0.554
94 HA3 GLY 12 HA2 GLY 12 51.387 14.373 -1.111
95 H GLY 13 HN GLY 13 50.046 14.761 -3.909
96 HA2 GLY 13 HA1 GLY 13 50.761 17.557 -4.513
97 HA3 GLY 13 HA2 GLY 13 51.872 16.334 -5.168
98 H ARG 14 HN ARG 14 49.468 14.435 -5.287
99 HA ARG 14 HA ARG 14 48.772 15.090 -8.050
100 HB2 ARG 14 HB2 ARG 14 49.022 12.752 -6.695
101 HB3 ARG 14 HB1 ARG 14 47.270 12.967 -6.518
102 HG2 ARG 14 HG2 ARG 14 48.816 12.979 -9.156
103 HG3 ARG 14 HG1 ARG 14 47.819 11.642 -8.541
104 HD2 ARG 14 HD2 ARG 14 45.908 13.470 -8.433
105 HD3 ARG 14 HD1 ARG 14 46.945 14.345 -9.588
106 HE ARG 14 HE ARG 14 46.570 11.595 -10.409
107 HH11 ARG 14 HH11 ARG 14 46.248 12.406 -12.757
108 HH12 ARG 14 HH12 ARG 14 44.701 13.146 -13.001
109 HH21 ARG 14 HH21 ARG 14 44.058 13.539 -9.616
110 HH22 ARG 14 HH22 ARG 14 43.461 13.787 -11.223
111 H PHE 15 HN PHE 15 47.420 15.613 -4.877
112 HA PHE 15 HA PHE 15 44.702 15.817 -5.201
113 HB2 PHE 15 HB2 PHE 15 46.008 16.461 -3.161
114 HB3 PHE 15 HB1 PHE 15 46.405 18.006 -3.950
115 HD1 PHE 15 HD1 PHE 15 43.538 15.847 -2.847
116 HD2 PHE 15 HD2 PHE 15 44.843 19.816 -3.938
117 HE1 PHE 15 HE1 PHE 15 41.344 16.771 -2.117
118 HE2 PHE 15 HE2 PHE 15 42.648 20.738 -3.204
119 HZ PHE 15 HZ PHE 15 40.906 19.219 -2.273
120 H ILE 16 HN ILE 16 46.931 18.550 -5.961
121 HA ILE 16 HA ILE 16 44.793 19.941 -7.408
122 HB ILE 16 HB ILE 16 47.774 20.594 -7.418
123 HG12 ILE 16 HG12 ILE 16 45.589 21.489 -5.476
124 HG13 ILE 16 HG11 ILE 16 46.895 20.346 -5.088
125 HG21 ILE 16 HG21 ILE 16 47.064 22.797 -8.040
126 HG22 ILE 16 HG22 ILE 16 45.366 22.448 -7.644
127 HG23 ILE 16 HG23 ILE 16 46.121 21.702 -9.072
128 HD11 ILE 16 HD1 ILE 16 47.658 22.451 -4.279
129 HD12 ILE 16 HD2 ILE 16 47.120 23.304 -5.744
130 HD13 ILE 16 HD3 ILE 16 48.523 22.210 -5.812
131 H HIS 17 HN HIS 17 48.114 19.376 -8.682
132 HA HIS 17 HA HIS 17 47.105 17.649 -10.829
133 HB2 HIS 17 HB2 HIS 17 46.254 19.854 -11.591
134 HB3 HIS 17 HB1 HIS 17 47.913 20.490 -11.561
135 HD1 HIS 17 HD1 HIS 17 45.831 17.743 -13.240
136 HD2 HIS 17 HD2 HIS 17 49.440 19.823 -13.810
137 HE1 HIS 17 HE1 HIS 17 46.711 17.120 -15.556
138 H GLY 18 HN GLY 18 49.233 17.939 -8.749
139 HA2 GLY 18 HA1 GLY 18 51.299 16.488 -9.458
140 HA3 GLY 18 HA2 GLY 18 51.713 17.932 -10.419
141 H MET 19 HN MET 19 51.016 19.956 -8.994
142 HA MET 19 HA MET 19 51.331 20.142 -6.324
143 HB2 MET 19 HB2 MET 19 53.914 19.345 -7.386
144 HB3 MET 19 HB1 MET 19 54.050 20.987 -6.730
145 HG2 MET 19 HG2 MET 19 53.007 20.162 -4.595
146 HG3 MET 19 HG1 MET 19 53.035 18.513 -5.263
147 HE1 MET 19 HE1 MET 19 54.253 19.320 -2.581
148 HE2 MET 19 HE2 MET 19 55.872 18.578 -2.566
149 HE3 MET 19 HE3 MET 19 54.479 17.665 -3.197
150 H ILE 20 HN ILE 20 49.807 21.620 -6.947
151 HA ILE 20 HA ILE 20 49.129 23.791 -7.459
152 HB ILE 20 HB ILE 20 52.038 24.714 -7.475
153 HG12 ILE 20 HG12 ILE 20 50.255 24.170 -5.052
154 HG13 ILE 20 HG11 ILE 20 51.804 23.383 -5.426
155 HG21 ILE 20 HG21 ILE 20 50.010 26.215 -8.102
156 HG22 ILE 20 HG22 ILE 20 51.126 26.835 -6.869
157 HG23 ILE 20 HG23 ILE 20 49.568 26.125 -6.383
158 HD11 ILE 20 HD1 ILE 20 51.307 26.256 -4.581
159 HD12 ILE 20 HD2 ILE 20 52.824 25.768 -5.377
160 HD13 ILE 20 HD3 ILE 20 52.361 25.042 -3.819
161 H GLN 21 HN GLN 21 50.325 21.622 -9.103
162 HA GLN 21 HA GLN 21 50.115 21.297 -11.458
163 HB2 GLN 21 HB2 GLN 21 49.313 23.811 -11.660
164 HB3 GLN 21 HB1 GLN 21 51.019 24.148 -12.035
165 HG2 GLN 21 HG2 GLN 21 50.936 22.467 -13.869
166 HG3 GLN 21 HG1 GLN 21 49.218 22.170 -13.507
167 HE21 GLN 21 HE21 GLN 21 47.651 23.874 -14.001
168 HE22 GLN 21 HE22 GLN 21 48.092 25.213 -15.065
169 H ASN 22 HN ASN 22 52.066 21.130 -9.414
170 HA ASN 22 HA ASN 22 54.318 20.848 -9.065
171 HB2 ASN 22 HB2 ASN 22 53.871 18.956 -10.467
172 HB3 ASN 22 HB1 ASN 22 54.082 19.940 -11.945
173 HD21 ASN 22 HD21 ASN 22 55.968 18.878 -12.783
174 HD22 ASN 22 HD22 ASN 22 57.511 18.886 -11.922
175 H HIS 23 HN HIS 23 53.778 23.375 -9.254
176 HA HIS 23 HA HIS 23 54.733 25.450 -9.715
177 HB2 HIS 23 HB2 HIS 23 57.237 23.882 -10.432
178 HB3 HIS 23 HB1 HIS 23 57.135 25.562 -9.852
179 HD1 HIS 23 HD1 HIS 23 54.674 24.303 -7.823
180 HD2 HIS 23 HD2 HIS 23 58.822 23.616 -7.896
181 HE1 HIS 23 HE1 HIS 23 55.338 23.403 -5.526
182 H HIS 24 HN HIS 24 56.342 26.574 -11.482
183 HA HIS 24 HA HIS 24 54.844 26.364 -13.957
184 HB2 HIS 24 HB2 HIS 24 57.495 27.777 -13.479
185 HB3 HIS 24 HB1 HIS 24 56.306 28.116 -14.760
186 HD1 HIS 24 HD1 HIS 24 57.037 28.674 -11.114
187 HD2 HIS 24 HD2 HIS 24 53.876 29.369 -13.802
188 HE1 HIS 24 HE1 HIS 24 55.426 30.308 -9.990
Start of MODEL 52
1 H1 PHE 1 HT1 PHE 1 59.211 1.871 2.471
2 H2 PHE 1 HT2 PHE 1 59.304 0.643 1.301
3 H3 PHE 1 HT3 PHE 1 58.523 0.354 2.782
4 HA PHE 1 HA PHE 1 56.967 0.678 0.974
5 HB2 PHE 1 HB2 PHE 1 56.927 2.974 2.967
6 HB3 PHE 1 HB1 PHE 1 55.535 2.212 2.161
7 HD1 PHE 1 HD1 PHE 1 54.795 -0.061 2.784
8 HD2 PHE 1 HD2 PHE 1 58.071 1.873 4.822
9 HE1 PHE 1 HE1 PHE 1 54.653 -1.748 4.614
10 HE2 PHE 1 HE2 PHE 1 57.930 0.186 6.651
11 HZ PHE 1 HZ PHE 1 56.179 -1.585 6.578
12 H LEU 2 HN LEU 2 59.707 2.454 0.733
13 HA LEU 2 HA LEU 2 60.394 4.180 -0.658
14 HB2 LEU 2 HB2 LEU 2 58.010 3.056 -2.164
15 HB3 LEU 2 HB1 LEU 2 58.985 4.378 -2.834
16 HG LEU 2 HG LEU 2 59.616 2.001 -3.566
17 HD11 LEU 2 HD11 LEU 2 61.941 3.390 -2.179
18 HD12 LEU 2 HD12 LEU 2 61.150 4.097 -3.605
19 HD13 LEU 2 HD13 LEU 2 61.925 2.503 -3.717
20 HD21 LEU 2 HD21 LEU 2 59.343 1.035 -1.233
21 HD22 LEU 2 HD22 LEU 2 60.868 1.840 -0.790
22 HD23 LEU 2 HD23 LEU 2 60.855 0.591 -2.055
23 H GLY 3 HN GLY 3 58.712 4.872 1.576
24 HA2 GLY 3 HA1 GLY 3 57.637 6.749 2.390
25 HA3 GLY 3 HA2 GLY 3 58.180 7.595 0.927
26 H ALA 4 HN ALA 4 55.981 4.801 1.348
27 HA ALA 4 HA ALA 4 53.836 4.477 0.519
28 HB1 ALA 4 HB1 ALA 4 53.428 6.102 2.386
29 HB2 ALA 4 HB2 ALA 4 52.214 6.174 1.086
30 HB3 ALA 4 HB3 ALA 4 53.485 7.417 1.188
31 H LEU 5 HN LEU 5 55.050 4.324 -1.615
32 HA LEU 5 HA LEU 5 55.183 4.839 -3.876
33 HB2 LEU 5 HB2 LEU 5 52.429 5.869 -3.126
34 HB3 LEU 5 HB1 LEU 5 53.017 5.950 -4.798
35 HG LEU 5 HG LEU 5 51.606 3.899 -4.179
36 HD11 LEU 5 HD11 LEU 5 52.791 2.462 -5.637
37 HD12 LEU 5 HD12 LEU 5 54.377 3.075 -5.129
38 HD13 LEU 5 HD13 LEU 5 53.314 4.083 -6.135
39 HD21 LEU 5 HD21 LEU 5 54.164 2.972 -2.801
40 HD22 LEU 5 HD22 LEU 5 52.609 2.117 -2.904
41 HD23 LEU 5 HD23 LEU 5 52.745 3.597 -1.928
42 H ILE 6 HN ILE 6 55.930 6.900 -1.699
43 HA ILE 6 HA ILE 6 56.410 9.202 -1.527
44 HB ILE 6 HB ILE 6 58.217 7.827 -3.023
45 HG12 ILE 6 HG12 ILE 6 58.245 10.862 -2.679
46 HG13 ILE 6 HG11 ILE 6 58.739 9.660 -1.467
47 HG21 ILE 6 HG21 ILE 6 56.819 8.659 -5.159
48 HG22 ILE 6 HG22 ILE 6 58.586 8.516 -5.209
49 HG23 ILE 6 HG23 ILE 6 57.834 10.105 -4.970
50 HD11 ILE 6 HD1 ILE 6 60.761 10.403 -2.521
51 HD12 ILE 6 HD2 ILE 6 60.051 10.258 -4.147
52 HD13 ILE 6 HD3 ILE 6 60.418 8.795 -3.202
53 H LYS 7 HN LYS 7 56.912 11.072 -3.761
54 HA LYS 7 HA LYS 7 55.584 12.807 -4.566
55 HB2 LYS 7 HB2 LYS 7 54.725 10.837 -6.127
56 HB3 LYS 7 HB1 LYS 7 53.315 10.825 -5.046
57 HG2 LYS 7 HG2 LYS 7 52.588 12.330 -6.694
58 HG3 LYS 7 HG1 LYS 7 53.300 13.454 -5.515
59 HD2 LYS 7 HD2 LYS 7 55.439 13.419 -6.823
60 HD3 LYS 7 HD1 LYS 7 54.665 12.351 -8.017
61 HE2 LYS 7 HE2 LYS 7 54.538 14.650 -8.822
62 HE3 LYS 7 HE1 LYS 7 52.904 14.110 -8.369
63 HZ1 LYS 7 HZ1 LYS 7 54.264 15.231 -6.136
64 HZ2 LYS 7 HZ2 LYS 7 52.787 15.694 -6.839
65 HZ3 LYS 7 HZ3 LYS 7 54.247 16.333 -7.426
66 H GLY 8 HN GLY 8 55.865 11.575 -2.173
67 HA2 GLY 8 HA1 GLY 8 55.157 11.190 -0.110
68 HA3 GLY 8 HA2 GLY 8 54.687 12.932 -0.182
69 H ALA 9 HN ALA 9 53.647 9.596 -0.504
70 HA ALA 9 HA ALA 9 51.581 8.589 -0.380
71 HB1 ALA 9 HB1 ALA 9 50.788 11.069 1.183
72 HB2 ALA 9 HB2 ALA 9 51.701 9.704 1.870
73 HB3 ALA 9 HB3 ALA 9 50.043 9.457 1.269
74 H ILE 10 HN ILE 10 51.582 9.135 -2.754
75 HA ILE 10 HA ILE 10 50.372 9.741 -4.617
76 HB ILE 10 HB ILE 10 48.276 9.932 -2.449
77 HG12 ILE 10 HG12 ILE 10 47.069 8.423 -4.004
78 HG13 ILE 10 HG11 ILE 10 48.361 8.637 -5.208
79 HG21 ILE 10 HG21 ILE 10 47.612 11.956 -3.497
80 HG22 ILE 10 HG22 ILE 10 46.578 10.713 -4.234
81 HG23 ILE 10 HG23 ILE 10 47.987 11.339 -5.124
82 HD11 ILE 10 HD1 ILE 10 49.979 7.558 -3.799
83 HD12 ILE 10 HD2 ILE 10 48.522 6.538 -3.740
84 HD13 ILE 10 HD3 ILE 10 48.900 7.630 -2.386
85 H HIS 11 HN HIS 11 49.327 12.243 -2.244
86 HA HIS 11 HA HIS 11 50.974 14.263 -3.658
87 HB2 HIS 11 HB2 HIS 11 47.928 14.331 -3.565
88 HB3 HIS 11 HB1 HIS 11 48.935 15.764 -3.886
89 HD1 HIS 11 HD1 HIS 11 47.000 13.568 -5.755
90 HD2 HIS 11 HD2 HIS 11 51.018 14.763 -6.080
91 HE1 HIS 11 HE1 HIS 11 47.755 13.063 -8.143
92 H GLY 12 HN GLY 12 49.838 12.800 -0.985
93 HA2 GLY 12 HA1 GLY 12 50.846 13.802 1.119
94 HA3 GLY 12 HA2 GLY 12 49.984 15.299 0.706
95 H GLY 13 HN GLY 13 48.591 12.132 0.099
96 HA2 GLY 13 HA1 GLY 13 46.640 11.195 0.920
97 HA3 GLY 13 HA2 GLY 13 47.271 11.636 2.518
98 H ARG 14 HN ARG 14 45.587 13.027 -0.324
99 HA ARG 14 HA ARG 14 43.527 14.156 1.398
100 HB2 ARG 14 HB2 ARG 14 45.746 15.711 1.382
101 HB3 ARG 14 HB1 ARG 14 45.002 16.315 -0.113
102 HG2 ARG 14 HG2 ARG 14 43.722 16.235 2.661
103 HG3 ARG 14 HG1 ARG 14 44.260 17.683 1.780
104 HD2 ARG 14 HD2 ARG 14 42.607 16.873 -0.093
105 HD3 ARG 14 HD1 ARG 14 41.896 15.875 1.202
106 HE ARG 14 HE ARG 14 41.468 18.677 0.886
107 HH11 ARG 14 HH11 ARG 14 40.359 16.403 2.823
108 HH12 ARG 14 HH12 ARG 14 40.519 17.243 4.329
109 HH21 ARG 14 HH21 ARG 14 42.530 19.748 3.025
110 HH22 ARG 14 HH22 ARG 14 41.748 19.136 4.444
111 H PHE 15 HN PHE 15 45.145 13.856 -1.732
112 HA PHE 15 HA PHE 15 43.301 14.998 -3.476
113 HB2 PHE 15 HB2 PHE 15 45.437 13.825 -4.103
114 HB3 PHE 15 HB1 PHE 15 44.593 12.274 -3.887
115 HD1 PHE 15 HD1 PHE 15 43.186 11.403 -5.614
116 HD2 PHE 15 HD2 PHE 15 44.475 15.520 -5.766
117 HE1 PHE 15 HE1 PHE 15 42.243 11.615 -7.911
118 HE2 PHE 15 HE2 PHE 15 43.532 15.730 -8.062
119 HZ PHE 15 HZ PHE 15 42.355 13.798 -9.106
120 H ILE 16 HN ILE 16 43.025 11.927 -1.703
121 HA ILE 16 HA ILE 16 40.372 11.402 -2.977
122 HB ILE 16 HB ILE 16 41.834 9.717 -0.888
123 HG12 ILE 16 HG12 ILE 16 42.126 8.283 -3.198
124 HG13 ILE 16 HG11 ILE 16 42.142 9.915 -3.897
125 HG21 ILE 16 HG21 ILE 16 39.408 9.324 -1.059
126 HG22 ILE 16 HG22 ILE 16 40.302 7.947 -1.742
127 HG23 ILE 16 HG23 ILE 16 39.546 9.142 -2.823
128 HD11 ILE 16 HD1 ILE 16 44.428 9.120 -3.343
129 HD12 ILE 16 HD2 ILE 16 43.949 8.936 -1.640
130 HD13 ILE 16 HD3 ILE 16 43.994 10.550 -2.380
131 H HIS 17 HN HIS 17 41.428 10.853 0.401
132 HA HIS 17 HA HIS 17 39.803 12.957 1.524
133 HB2 HIS 17 HB2 HIS 17 37.981 11.444 0.668
134 HB3 HIS 17 HB1 HIS 17 38.609 10.165 1.734
135 HD1 HIS 17 HD1 HIS 17 35.847 10.862 2.453
136 HD2 HIS 17 HD2 HIS 17 39.042 13.255 3.772
137 HE1 HIS 17 HE1 HIS 17 35.045 12.132 4.520
138 H GLY 18 HN GLY 18 42.389 12.229 1.914
139 HA2 GLY 18 HA1 GLY 18 43.380 12.318 4.211
140 HA3 GLY 18 HA2 GLY 18 42.361 10.924 4.630
141 H MET 19 HN MET 19 42.561 9.554 2.242
142 HA MET 19 HA MET 19 44.548 8.895 0.827
143 HB2 MET 19 HB2 MET 19 46.400 9.243 2.255
144 HB3 MET 19 HB1 MET 19 45.686 8.285 3.553
145 HG2 MET 19 HG2 MET 19 47.504 7.065 2.388
146 HG3 MET 19 HG1 MET 19 45.953 6.229 2.172
147 HE1 MET 19 HE1 MET 19 48.026 5.756 -1.152
148 HE2 MET 19 HE2 MET 19 47.501 5.034 0.388
149 HE3 MET 19 HE3 MET 19 48.834 6.214 0.367
150 H ILE 20 HN ILE 20 42.869 7.923 -0.092
151 HA ILE 20 HA ILE 20 41.514 6.108 -0.614
152 HB ILE 20 HB ILE 20 42.977 4.409 1.467
153 HG12 ILE 20 HG12 ILE 20 44.802 5.360 0.260
154 HG13 ILE 20 HG11 ILE 20 44.546 3.763 -0.460
155 HG21 ILE 20 HG21 ILE 20 41.138 3.234 0.546
156 HG22 ILE 20 HG22 ILE 20 42.527 2.647 -0.386
157 HG23 ILE 20 HG23 ILE 20 41.427 3.848 -1.092
158 HD11 ILE 20 HD1 ILE 20 43.725 6.469 -1.584
159 HD12 ILE 20 HD2 ILE 20 43.115 4.935 -2.238
160 HD13 ILE 20 HD3 ILE 20 44.853 5.291 -2.285
161 H GLN 21 HN GLN 21 41.464 8.031 1.641
162 HA GLN 21 HA GLN 21 39.734 8.614 3.133
163 HB2 GLN 21 HB2 GLN 21 38.383 6.555 2.099
164 HB3 GLN 21 HB1 GLN 21 38.920 5.715 3.569
165 HG2 GLN 21 HG2 GLN 21 37.974 7.603 4.936
166 HG3 GLN 21 HG1 GLN 21 37.321 8.306 3.437
167 HE21 GLN 21 HE21 GLN 21 36.997 5.635 5.768
168 HE22 GLN 21 HE22 GLN 21 35.472 5.026 5.115
169 H ASN 22 HN ASN 22 42.434 7.846 3.246
170 HA ASN 22 HA ASN 22 44.117 7.258 4.674
171 HB2 ASN 22 HB2 ASN 22 43.544 9.270 5.715
172 HB3 ASN 22 HB1 ASN 22 42.126 8.549 6.535
173 HD21 ASN 22 HD21 ASN 22 42.862 8.967 8.716
174 HD22 ASN 22 HD22 ASN 22 44.283 8.159 9.386
175 H HIS 23 HN HIS 23 43.411 5.116 3.906
176 HA HIS 23 HA HIS 23 42.229 3.374 5.997
177 HB2 HIS 23 HB2 HIS 23 43.428 2.899 3.242
178 HB3 HIS 23 HB1 HIS 23 42.972 1.550 4.308
179 HD1 HIS 23 HD1 HIS 23 41.278 1.277 2.058
180 HD2 HIS 23 HD2 HIS 23 40.449 4.363 4.786
181 HE1 HIS 23 HE1 HIS 23 38.822 1.915 1.764
182 H HIS 24 HN HIS 24 44.896 1.997 4.309
183 HA HIS 24 HA HIS 24 46.220 1.320 6.795
184 HB2 HIS 24 HB2 HIS 24 47.983 0.388 5.272
185 HB3 HIS 24 HB1 HIS 24 46.342 -0.187 4.893
186 HD1 HIS 24 HD1 HIS 24 45.688 -0.012 2.496
187 HD2 HIS 24 HD2 HIS 24 48.587 2.849 3.546
188 HE1 HIS 24 HE1 HIS 24 46.309 1.260 0.369
Start of MODEL 53
1 H1 PHE 1 HT1 PHE 1 59.791 5.574 -11.764
2 H2 PHE 1 HT2 PHE 1 61.357 4.936 -11.924
3 H3 PHE 1 HT3 PHE 1 60.784 5.420 -10.400
4 HA PHE 1 HA PHE 1 59.138 3.487 -11.730
5 HB2 PHE 1 HB2 PHE 1 61.464 2.801 -12.409
6 HB3 PHE 1 HB1 PHE 1 61.876 2.672 -10.681
7 HD1 PHE 1 HD1 PHE 1 59.347 1.488 -13.213
8 HD2 PHE 1 HD2 PHE 1 61.430 0.647 -9.524
9 HE1 PHE 1 HE1 PHE 1 58.336 -0.788 -13.158
10 HE2 PHE 1 HE2 PHE 1 60.419 -1.629 -9.473
11 HZ PHE 1 HZ PHE 1 58.895 -2.357 -11.305
12 H LEU 2 HN LEU 2 59.426 5.506 -9.428
13 HA LEU 2 HA LEU 2 59.539 3.914 -7.004
14 HB2 LEU 2 HB2 LEU 2 58.136 6.588 -7.337
15 HB3 LEU 2 HB1 LEU 2 58.891 5.913 -5.875
16 HG LEU 2 HG LEU 2 60.328 6.779 -8.423
17 HD11 LEU 2 HD11 LEU 2 59.523 8.613 -6.923
18 HD12 LEU 2 HD12 LEU 2 61.299 8.513 -6.979
19 HD13 LEU 2 HD13 LEU 2 60.415 7.871 -5.573
20 HD21 LEU 2 HD21 LEU 2 62.385 6.340 -6.886
21 HD22 LEU 2 HD22 LEU 2 61.577 4.924 -7.593
22 HD23 LEU 2 HD23 LEU 2 61.274 5.366 -5.895
23 H GLY 3 HN GLY 3 57.083 4.642 -9.371
24 HA2 GLY 3 HA1 GLY 3 54.869 3.993 -9.517
25 HA3 GLY 3 HA2 GLY 3 55.306 2.652 -8.440
26 H ALA 4 HN ALA 4 55.195 6.204 -7.950
27 HA ALA 4 HA ALA 4 54.136 7.445 -6.307
28 HB1 ALA 4 HB1 ALA 4 52.039 5.250 -6.464
29 HB2 ALA 4 HB2 ALA 4 52.140 6.652 -7.556
30 HB3 ALA 4 HB3 ALA 4 51.813 6.895 -5.823
31 H LEU 5 HN LEU 5 55.375 7.421 -4.528
32 HA LEU 5 HA LEU 5 54.523 5.694 -2.316
33 HB2 LEU 5 HB2 LEU 5 56.276 4.394 -3.796
34 HB3 LEU 5 HB1 LEU 5 57.457 5.506 -3.074
35 HG LEU 5 HG LEU 5 56.288 4.768 -0.776
36 HD11 LEU 5 HD11 LEU 5 54.500 3.413 -1.808
37 HD12 LEU 5 HD12 LEU 5 55.587 2.375 -0.859
38 HD13 LEU 5 HD13 LEU 5 55.716 2.410 -2.632
39 HD21 LEU 5 HD21 LEU 5 58.198 2.992 -2.362
40 HD22 LEU 5 HD22 LEU 5 57.925 2.878 -0.607
41 HD23 LEU 5 HD23 LEU 5 58.648 4.348 -1.301
42 H ILE 6 HN ILE 6 55.412 8.552 -3.540
43 HA ILE 6 HA ILE 6 55.906 9.692 -0.870
44 HB ILE 6 HB ILE 6 58.043 10.891 -1.591
45 HG12 ILE 6 HG12 ILE 6 58.040 8.796 -3.813
46 HG13 ILE 6 HG11 ILE 6 57.762 10.538 -4.039
47 HG21 ILE 6 HG21 ILE 6 57.962 8.738 -0.169
48 HG22 ILE 6 HG22 ILE 6 59.515 9.135 -0.936
49 HG23 ILE 6 HG23 ILE 6 58.471 7.879 -1.643
50 HD11 ILE 6 HD1 ILE 6 60.308 9.131 -3.163
51 HD12 ILE 6 HD2 ILE 6 60.058 10.870 -2.873
52 HD13 ILE 6 HD3 ILE 6 60.069 10.235 -4.536
53 H LYS 7 HN LYS 7 54.185 9.662 -3.344
54 HA LYS 7 HA LYS 7 54.176 12.629 -3.792
55 HB2 LYS 7 HB2 LYS 7 52.034 10.611 -4.624
56 HB3 LYS 7 HB1 LYS 7 52.318 12.236 -5.292
57 HG2 LYS 7 HG2 LYS 7 54.215 9.861 -5.555
58 HG3 LYS 7 HG1 LYS 7 53.126 10.459 -6.830
59 HD2 LYS 7 HD2 LYS 7 54.291 12.740 -6.552
60 HD3 LYS 7 HD1 LYS 7 55.513 11.879 -5.586
61 HE2 LYS 7 HE2 LYS 7 56.361 11.920 -7.829
62 HE3 LYS 7 HE1 LYS 7 55.755 10.268 -7.568
63 HZ1 LYS 7 HZ1 LYS 7 53.646 11.890 -8.487
64 HZ2 LYS 7 HZ2 LYS 7 54.355 10.545 -9.244
65 HZ3 LYS 7 HZ3 LYS 7 54.970 12.104 -9.524
66 H GLY 8 HN GLY 8 54.383 11.151 -1.536
67 HA2 GLY 8 HA1 GLY 8 53.968 11.023 0.550
68 HA3 GLY 8 HA2 GLY 8 52.647 12.251 0.381
69 H ALA 9 HN ALA 9 53.274 8.974 -0.863
70 HA ALA 9 HA ALA 9 52.060 7.014 -0.757
71 HB1 ALA 9 HB1 ALA 9 52.169 7.594 1.747
72 HB2 ALA 9 HB2 ALA 9 50.885 6.476 1.229
73 HB3 ALA 9 HB3 ALA 9 50.500 8.180 1.567
74 H ILE 10 HN ILE 10 50.971 9.888 -1.665
75 HA ILE 10 HA ILE 10 48.675 8.766 -3.075
76 HB ILE 10 HB ILE 10 47.213 10.851 -2.003
77 HG12 ILE 10 HG12 ILE 10 48.740 9.701 0.379
78 HG13 ILE 10 HG11 ILE 10 49.126 11.266 -0.365
79 HG21 ILE 10 HG21 ILE 10 45.877 9.253 -0.862
80 HG22 ILE 10 HG22 ILE 10 47.247 8.165 -0.576
81 HG23 ILE 10 HG23 ILE 10 46.590 8.356 -2.217
82 HD11 ILE 10 HD1 ILE 10 46.643 11.877 0.008
83 HD12 ILE 10 HD2 ILE 10 47.670 11.774 1.456
84 HD13 ILE 10 HD3 ILE 10 46.568 10.439 1.054
85 H HIS 11 HN HIS 11 48.862 12.097 -1.917
86 HA HIS 11 HA HIS 11 50.327 13.033 -4.285
87 HB2 HIS 11 HB2 HIS 11 47.992 12.684 -5.144
88 HB3 HIS 11 HB1 HIS 11 47.413 13.835 -3.915
89 HD1 HIS 11 HD1 HIS 11 47.027 16.063 -4.954
90 HD2 HIS 11 HD2 HIS 11 50.440 14.168 -6.522
91 HE1 HIS 11 HE1 HIS 11 48.077 17.664 -6.646
92 H GLY 12 HN GLY 12 50.418 13.058 -1.296
93 HA2 GLY 12 HA1 GLY 12 51.269 14.639 0.194
94 HA3 GLY 12 HA2 GLY 12 51.049 15.906 -1.028
95 H GLY 13 HN GLY 13 48.723 13.626 0.466
96 HA2 GLY 13 HA1 GLY 13 46.768 14.036 1.629
97 HA3 GLY 13 HA2 GLY 13 47.553 15.498 2.256
98 H ARG 14 HN ARG 14 47.654 15.711 -1.051
99 HA ARG 14 HA ARG 14 45.594 17.771 -1.072
100 HB2 ARG 14 HB2 ARG 14 47.360 16.515 -3.199
101 HB3 ARG 14 HB1 ARG 14 46.141 17.746 -3.598
102 HG2 ARG 14 HG2 ARG 14 48.110 18.299 -1.349
103 HG3 ARG 14 HG1 ARG 14 48.652 18.465 -3.033
104 HD2 ARG 14 HD2 ARG 14 46.247 19.888 -1.799
105 HD3 ARG 14 HD1 ARG 14 47.824 20.624 -2.159
106 HE ARG 14 HE ARG 14 46.707 19.386 -4.524
107 HH11 ARG 14 HH11 ARG 14 44.594 21.196 -3.083
108 HH12 ARG 14 HH12 ARG 14 44.800 22.658 -3.989
109 HH21 ARG 14 HH21 ARG 14 47.797 21.664 -5.421
110 HH22 ARG 14 HH22 ARG 14 46.613 22.923 -5.313
111 H PHE 15 HN PHE 15 45.598 14.372 -1.475
112 HA PHE 15 HA PHE 15 43.642 13.935 -3.448
113 HB2 PHE 15 HB2 PHE 15 44.863 12.136 -2.255
114 HB3 PHE 15 HB1 PHE 15 43.926 12.488 -0.783
115 HD1 PHE 15 HD1 PHE 15 41.507 12.005 -0.673
116 HD2 PHE 15 HD2 PHE 15 43.832 11.040 -4.179
117 HE1 PHE 15 HE1 PHE 15 39.661 10.547 -1.495
118 HE2 PHE 15 HE2 PHE 15 41.986 9.582 -5.002
119 HZ PHE 15 HZ PHE 15 39.872 9.393 -3.694
120 H ILE 16 HN ILE 16 43.345 15.284 -0.230
121 HA ILE 16 HA ILE 16 40.353 15.196 -0.393
122 HB ILE 16 HB ILE 16 42.090 16.186 1.912
123 HG12 ILE 16 HG12 ILE 16 40.879 13.424 1.415
124 HG13 ILE 16 HG11 ILE 16 42.612 13.816 1.351
125 HG21 ILE 16 HG21 ILE 16 40.084 16.014 3.213
126 HG22 ILE 16 HG22 ILE 16 39.244 15.097 1.940
127 HG23 ILE 16 HG23 ILE 16 39.591 16.825 1.712
128 HD11 ILE 16 HD1 ILE 16 42.275 12.915 3.526
129 HD12 ILE 16 HD2 ILE 16 40.769 13.830 3.765
130 HD13 ILE 16 HD3 ILE 16 42.337 14.673 3.773
131 H HIS 17 HN HIS 17 42.544 17.690 1.014
132 HA HIS 17 HA HIS 17 41.925 19.635 -1.052
133 HB2 HIS 17 HB2 HIS 17 39.688 19.506 0.015
134 HB3 HIS 17 HB1 HIS 17 40.419 19.952 1.573
135 HD1 HIS 17 HD1 HIS 17 42.002 21.604 -1.333
136 HD2 HIS 17 HD2 HIS 17 38.739 22.389 1.199
137 HE1 HIS 17 HE1 HIS 17 41.419 24.079 -1.587
138 H GLY 18 HN GLY 18 44.224 18.675 0.273
139 HA2 GLY 18 HA1 GLY 18 46.095 20.375 0.570
140 HA3 GLY 18 HA2 GLY 18 45.104 21.062 1.882
141 H MET 19 HN MET 19 44.044 18.858 2.963
142 HA MET 19 HA MET 19 45.230 16.618 3.565
143 HB2 MET 19 HB2 MET 19 47.456 17.143 3.967
144 HB3 MET 19 HB1 MET 19 47.065 18.718 4.652
145 HG2 MET 19 HG2 MET 19 46.541 17.798 6.777
146 HG3 MET 19 HG1 MET 19 46.307 16.167 6.103
147 HE1 MET 19 HE1 MET 19 49.286 15.307 8.229
148 HE2 MET 19 HE2 MET 19 47.968 14.568 7.288
149 HE3 MET 19 HE3 MET 19 47.620 15.907 8.409
150 H ILE 20 HN ILE 20 43.137 16.294 3.947
151 HA ILE 20 HA ILE 20 41.243 16.120 5.284
152 HB ILE 20 HB ILE 20 42.882 17.044 7.690
153 HG12 ILE 20 HG12 ILE 20 42.745 14.236 6.492
154 HG13 ILE 20 HG11 ILE 20 44.176 15.287 6.492
155 HG21 ILE 20 HG21 ILE 20 40.720 14.900 7.545
156 HG22 ILE 20 HG22 ILE 20 40.309 16.617 7.735
157 HG23 ILE 20 HG23 ILE 20 41.294 15.802 8.967
158 HD11 ILE 20 HD1 ILE 20 42.799 13.979 8.858
159 HD12 ILE 20 HD2 ILE 20 43.896 15.365 9.071
160 HD13 ILE 20 HD3 ILE 20 44.499 13.851 8.358
161 H GLN 21 HN GLN 21 42.511 18.445 4.014
162 HA GLN 21 HA GLN 21 41.615 20.577 3.504
163 HB2 GLN 21 HB2 GLN 21 39.532 19.912 5.018
164 HB3 GLN 21 HB1 GLN 21 40.364 20.867 6.266
165 HG2 GLN 21 HG2 GLN 21 40.425 22.820 4.762
166 HG3 GLN 21 HG1 GLN 21 39.634 21.874 3.478
167 HE21 GLN 21 HE21 GLN 21 37.687 23.163 3.424
168 HE22 GLN 21 HE22 GLN 21 36.551 23.171 4.777
169 H ASN 22 HN ASN 22 43.938 19.528 4.650
170 HA ASN 22 HA ASN 22 45.817 20.076 5.838
171 HB2 ASN 22 HB2 ASN 22 46.601 22.424 5.443
172 HB3 ASN 22 HB1 ASN 22 46.092 21.528 3.982
173 HD21 ASN 22 HD21 ASN 22 45.060 24.061 6.336
174 HD22 ASN 22 HD22 ASN 22 43.844 24.769 5.268
175 H HIS 23 HN HIS 23 44.199 19.451 7.560
176 HA HIS 23 HA HIS 23 44.839 21.178 9.833
177 HB2 HIS 23 HB2 HIS 23 42.899 22.426 8.922
178 HB3 HIS 23 HB1 HIS 23 41.912 20.949 9.029
179 HD1 HIS 23 HD1 HIS 23 40.649 20.653 11.159
180 HD2 HIS 23 HD2 HIS 23 44.084 23.019 11.686
181 HE1 HIS 23 HE1 HIS 23 40.644 21.473 13.578
182 H HIS 24 HN HIS 24 45.043 19.942 11.592
183 HA HIS 24 HA HIS 24 44.514 17.107 11.413
184 HB2 HIS 24 HB2 HIS 24 46.344 18.121 12.778
185 HB3 HIS 24 HB1 HIS 24 45.115 18.789 13.878
186 HD1 HIS 24 HD1 HIS 24 44.354 15.443 12.420
187 HD2 HIS 24 HD2 HIS 24 46.124 16.972 15.916
188 HE1 HIS 24 HE1 HIS 24 44.512 13.522 14.097
Start of MODEL 54
1 H1 PHE 1 HT1 PHE 1 60.855 2.105 -0.465
2 H2 PHE 1 HT2 PHE 1 61.124 0.437 -0.651
3 H3 PHE 1 HT3 PHE 1 61.963 1.552 -1.622
4 HA PHE 1 HA PHE 1 62.903 0.426 0.609
5 HB2 PHE 1 HB2 PHE 1 63.607 3.128 -0.605
6 HB3 PHE 1 HB1 PHE 1 64.657 2.171 0.468
7 HD1 PHE 1 HD1 PHE 1 65.670 0.065 -0.296
8 HD2 PHE 1 HD2 PHE 1 63.149 2.405 -2.904
9 HE1 PHE 1 HE1 PHE 1 66.475 -1.250 -2.255
10 HE2 PHE 1 HE2 PHE 1 63.953 1.091 -4.861
11 HZ PHE 1 HZ PHE 1 65.673 -0.685 -4.545
12 H LEU 2 HN LEU 2 61.422 3.683 0.368
13 HA LEU 2 HA LEU 2 61.870 4.294 3.168
14 HB2 LEU 2 HB2 LEU 2 60.131 5.473 0.975
15 HB3 LEU 2 HB1 LEU 2 60.037 6.075 2.647
16 HG LEU 2 HG LEU 2 62.423 6.622 2.633
17 HD11 LEU 2 HD11 LEU 2 62.341 5.274 -0.095
18 HD12 LEU 2 HD12 LEU 2 63.411 4.922 1.284
19 HD13 LEU 2 HD13 LEU 2 63.631 6.418 0.348
20 HD21 LEU 2 HD21 LEU 2 60.820 8.287 1.729
21 HD22 LEU 2 HD22 LEU 2 61.019 7.594 0.102
22 HD23 LEU 2 HD23 LEU 2 62.392 8.395 0.903
23 H GLY 3 HN GLY 3 58.619 4.439 1.791
24 HA2 GLY 3 HA1 GLY 3 57.549 2.137 3.098
25 HA3 GLY 3 HA2 GLY 3 57.367 3.538 4.172
26 H ALA 4 HN ALA 4 57.417 4.436 0.899
27 HA ALA 4 HA ALA 4 54.609 3.944 0.303
28 HB1 ALA 4 HB1 ALA 4 53.776 6.193 0.491
29 HB2 ALA 4 HB2 ALA 4 55.380 6.805 0.962
30 HB3 ALA 4 HB3 ALA 4 54.474 5.739 2.063
31 H LEU 5 HN LEU 5 53.919 5.183 -1.681
32 HA LEU 5 HA LEU 5 56.118 5.046 -3.629
33 HB2 LEU 5 HB2 LEU 5 53.284 6.005 -4.155
34 HB3 LEU 5 HB1 LEU 5 54.423 5.229 -5.283
35 HG LEU 5 HG LEU 5 53.093 3.926 -2.865
36 HD11 LEU 5 HD11 LEU 5 51.917 2.583 -4.524
37 HD12 LEU 5 HD12 LEU 5 52.838 3.338 -5.847
38 HD13 LEU 5 HD13 LEU 5 51.669 4.302 -4.912
39 HD21 LEU 5 HD21 LEU 5 54.191 1.828 -3.923
40 HD22 LEU 5 HD22 LEU 5 55.264 2.934 -3.038
41 HD23 LEU 5 HD23 LEU 5 55.227 2.966 -4.817
42 H ILE 6 HN ILE 6 55.786 7.251 -1.436
43 HA ILE 6 HA ILE 6 56.043 9.585 -1.283
44 HB ILE 6 HB ILE 6 57.517 9.524 -3.963
45 HG12 ILE 6 HG12 ILE 6 58.450 8.190 -1.379
46 HG13 ILE 6 HG11 ILE 6 58.138 7.385 -2.934
47 HG21 ILE 6 HG21 ILE 6 58.923 11.132 -2.921
48 HG22 ILE 6 HG22 ILE 6 58.438 10.637 -1.281
49 HG23 ILE 6 HG23 ILE 6 57.304 11.539 -2.311
50 HD11 ILE 6 HD1 ILE 6 59.907 8.974 -3.935
51 HD12 ILE 6 HD2 ILE 6 60.505 7.693 -2.853
52 HD13 ILE 6 HD3 ILE 6 60.346 9.360 -2.254
53 H LYS 7 HN LYS 7 56.539 11.186 -3.915
54 HA LYS 7 HA LYS 7 55.093 12.720 -4.924
55 HB2 LYS 7 HB2 LYS 7 53.057 10.443 -5.067
56 HB3 LYS 7 HB1 LYS 7 53.117 11.894 -6.098
57 HG2 LYS 7 HG2 LYS 7 55.265 11.142 -7.057
58 HG3 LYS 7 HG1 LYS 7 55.240 9.704 -6.008
59 HD2 LYS 7 HD2 LYS 7 53.228 8.872 -7.084
60 HD3 LYS 7 HD1 LYS 7 53.050 10.378 -8.018
61 HE2 LYS 7 HE2 LYS 7 55.460 8.524 -8.222
62 HE3 LYS 7 HE1 LYS 7 54.071 8.476 -9.332
63 HZ1 LYS 7 HZ1 LYS 7 54.559 10.994 -9.559
64 HZ2 LYS 7 HZ2 LYS 7 55.522 9.881 -10.407
65 HZ3 LYS 7 HZ3 LYS 7 56.099 10.589 -8.975
66 H GLY 8 HN GLY 8 55.438 11.898 -2.368
67 HA2 GLY 8 HA1 GLY 8 54.714 11.760 -0.268
68 HA3 GLY 8 HA2 GLY 8 54.202 13.463 -0.590
69 H ALA 9 HN ALA 9 53.252 10.096 -0.391
70 HA ALA 9 HA ALA 9 51.223 9.078 -0.047
71 HB1 ALA 9 HB1 ALA 9 51.198 10.697 1.878
72 HB2 ALA 9 HB2 ALA 9 49.583 10.218 1.302
73 HB3 ALA 9 HB3 ALA 9 50.251 11.809 0.861
74 H ILE 10 HN ILE 10 51.712 9.749 -2.629
75 HA ILE 10 HA ILE 10 50.603 9.807 -4.634
76 HB ILE 10 HB ILE 10 48.535 9.016 -2.867
77 HG12 ILE 10 HG12 ILE 10 48.422 9.275 -5.907
78 HG13 ILE 10 HG11 ILE 10 49.189 7.943 -5.011
79 HG21 ILE 10 HG21 ILE 10 46.511 10.149 -3.507
80 HG22 ILE 10 HG22 ILE 10 47.358 11.114 -4.736
81 HG23 ILE 10 HG23 ILE 10 47.648 11.417 -3.009
82 HD11 ILE 10 HD1 ILE 10 47.060 7.056 -5.499
83 HD12 ILE 10 HD2 ILE 10 46.244 8.619 -5.269
84 HD13 ILE 10 HD3 ILE 10 46.824 7.701 -3.858
85 H HIS 11 HN HIS 11 49.757 12.256 -2.226
86 HA HIS 11 HA HIS 11 50.452 14.367 -4.110
87 HB2 HIS 11 HB2 HIS 11 48.112 13.784 -4.833
88 HB3 HIS 11 HB1 HIS 11 47.551 14.229 -3.202
89 HD1 HIS 11 HD1 HIS 11 50.334 16.384 -3.973
90 HD2 HIS 11 HD2 HIS 11 46.250 16.350 -4.977
91 HE1 HIS 11 HE1 HIS 11 49.728 18.733 -4.776
92 H GLY 12 HN GLY 12 49.359 13.170 -1.027
93 HA2 GLY 12 HA1 GLY 12 50.859 14.553 0.696
94 HA3 GLY 12 HA2 GLY 12 49.692 15.826 0.278
95 H GLY 13 HN GLY 13 47.739 13.414 -0.146
96 HA2 GLY 13 HA1 GLY 13 47.217 12.040 2.200
97 HA3 GLY 13 HA2 GLY 13 46.549 13.656 2.504
98 H ARG 14 HN ARG 14 46.663 11.827 -0.585
99 HA ARG 14 HA ARG 14 44.850 11.309 -1.985
100 HB2 ARG 14 HB2 ARG 14 43.321 10.924 0.575
101 HB3 ARG 14 HB1 ARG 14 43.044 10.135 -0.981
102 HG2 ARG 14 HG2 ARG 14 45.168 8.944 -0.800
103 HG3 ARG 14 HG1 ARG 14 45.551 9.801 0.713
104 HD2 ARG 14 HD2 ARG 14 43.550 8.828 1.785
105 HD3 ARG 14 HD1 ARG 14 43.153 7.972 0.277
106 HE ARG 14 HE ARG 14 45.837 7.322 1.125
107 HH11 ARG 14 HH11 ARG 14 43.966 5.276 0.101
108 HH12 ARG 14 HH12 ARG 14 43.559 4.377 1.525
109 HH21 ARG 14 HH21 ARG 14 44.688 6.821 3.712
110 HH22 ARG 14 HH22 ARG 14 43.970 5.252 3.569
111 H PHE 15 HN PHE 15 45.330 14.015 -0.716
112 HA PHE 15 HA PHE 15 44.372 16.105 -0.747
113 HB2 PHE 15 HB2 PHE 15 44.066 15.332 -3.178
114 HB3 PHE 15 HB1 PHE 15 42.381 14.985 -2.750
115 HD1 PHE 15 HD1 PHE 15 40.888 16.849 -1.914
116 HD2 PHE 15 HD2 PHE 15 44.840 17.592 -3.485
117 HE1 PHE 15 HE1 PHE 15 40.325 19.261 -2.195
118 HE2 PHE 15 HE2 PHE 15 44.275 20.002 -3.767
119 HZ PHE 15 HZ PHE 15 42.023 20.838 -3.108
120 H ILE 16 HN ILE 16 43.673 16.037 1.353
121 HA ILE 16 HA ILE 16 42.101 16.374 2.997
122 HB ILE 16 HB ILE 16 39.872 15.875 0.984
123 HG12 ILE 16 HG12 ILE 16 41.580 17.755 0.347
124 HG13 ILE 16 HG11 ILE 16 39.859 18.168 0.378
125 HG21 ILE 16 HG21 ILE 16 38.641 17.399 2.606
126 HG22 ILE 16 HG22 ILE 16 40.030 17.223 3.703
127 HG23 ILE 16 HG23 ILE 16 39.077 15.794 3.238
128 HD11 ILE 16 HD1 ILE 16 40.072 19.286 2.500
129 HD12 ILE 16 HD2 ILE 16 41.421 19.852 1.491
130 HD13 ILE 16 HD3 ILE 16 41.708 18.639 2.756
131 H HIS 17 HN HIS 17 41.531 13.693 0.748
132 HA HIS 17 HA HIS 17 41.942 11.499 2.203
133 HB2 HIS 17 HB2 HIS 17 40.747 12.069 4.178
134 HB3 HIS 17 HB1 HIS 17 39.317 12.601 3.262
135 HD1 HIS 17 HD1 HIS 17 40.908 9.434 2.104
136 HD2 HIS 17 HD2 HIS 17 37.931 10.540 4.860
137 HE1 HIS 17 HE1 HIS 17 39.577 7.328 2.673
138 H GLY 18 HN GLY 18 41.953 11.490 -0.398
139 HA2 GLY 18 HA1 GLY 18 40.991 9.863 -1.961
140 HA3 GLY 18 HA2 GLY 18 39.408 10.066 -1.189
141 H MET 19 HN MET 19 39.674 12.854 -0.902
142 HA MET 19 HA MET 19 40.100 14.681 -2.476
143 HB2 MET 19 HB2 MET 19 40.149 13.580 -4.591
144 HB3 MET 19 HB1 MET 19 38.474 13.054 -4.415
145 HG2 MET 19 HG2 MET 19 38.644 14.981 -5.939
146 HG3 MET 19 HG1 MET 19 37.732 15.435 -4.485
147 HE1 MET 19 HE1 MET 19 38.342 17.493 -6.028
148 HE2 MET 19 HE2 MET 19 39.931 17.261 -6.797
149 HE3 MET 19 HE3 MET 19 39.691 18.583 -5.630
150 H ILE 20 HN ILE 20 39.396 15.706 -0.777
151 HA ILE 20 HA ILE 20 37.831 16.931 0.436
152 HB ILE 20 HB ILE 20 35.784 16.547 -1.796
153 HG12 ILE 20 HG12 ILE 20 38.131 18.499 -1.732
154 HG13 ILE 20 HG11 ILE 20 37.888 17.186 -2.900
155 HG21 ILE 20 HG21 ILE 20 36.378 19.039 -0.146
156 HG22 ILE 20 HG22 ILE 20 35.317 17.756 0.471
157 HG23 ILE 20 HG23 ILE 20 34.890 18.615 -1.023
158 HD11 ILE 20 HD1 ILE 20 37.113 19.130 -4.027
159 HD12 ILE 20 HD2 ILE 20 36.278 19.737 -2.578
160 HD13 ILE 20 HD3 ILE 20 35.630 18.329 -3.455
161 H GLN 21 HN GLN 21 38.139 14.018 0.103
162 HA GLN 21 HA GLN 21 37.289 12.261 1.472
163 HB2 GLN 21 HB2 GLN 21 35.749 14.096 2.640
164 HB3 GLN 21 HB1 GLN 21 34.496 13.456 1.552
165 HG2 GLN 21 HG2 GLN 21 35.073 11.131 2.413
166 HG3 GLN 21 HG1 GLN 21 36.095 11.918 3.640
167 HE21 GLN 21 HE21 GLN 21 35.014 13.375 5.226
168 HE22 GLN 21 HE22 GLN 21 33.289 13.169 5.546
169 H ASN 22 HN ASN 22 37.519 12.867 -1.259
170 HA ASN 22 HA ASN 22 36.737 12.321 -3.349
171 HB2 ASN 22 HB2 ASN 22 37.736 10.282 -2.770
172 HB3 ASN 22 HB1 ASN 22 36.337 9.778 -1.775
173 HD21 ASN 22 HD21 ASN 22 35.795 11.432 -4.869
174 HD22 ASN 22 HD22 ASN 22 35.219 10.004 -5.737
175 H HIS 23 HN HIS 23 35.144 13.996 -2.594
176 HA HIS 23 HA HIS 23 32.970 14.793 -2.834
177 HB2 HIS 23 HB2 HIS 23 33.224 13.581 -5.050
178 HB3 HIS 23 HB1 HIS 23 32.381 12.198 -4.310
179 HD1 HIS 23 HD1 HIS 23 29.884 12.229 -4.428
180 HD2 HIS 23 HD2 HIS 23 31.549 16.054 -4.962
181 HE1 HIS 23 HE1 HIS 23 27.961 13.833 -4.935
182 H HIS 24 HN HIS 24 32.048 14.894 -0.873
183 HA HIS 24 HA HIS 24 31.455 12.711 0.821
184 HB2 HIS 24 HB2 HIS 24 31.449 15.124 1.483
185 HB3 HIS 24 HB1 HIS 24 29.908 15.324 0.613
186 HD1 HIS 24 HD1 HIS 24 31.455 13.657 3.652
187 HD2 HIS 24 HD2 HIS 24 27.658 14.279 1.954
188 HE1 HIS 24 HE1 HIS 24 29.720 12.893 5.365
Start of MODEL 55
1 H1 PHE 1 HT1 PHE 1 63.448 9.483 2.375
2 H2 PHE 1 HT2 PHE 1 63.935 7.858 2.465
3 H3 PHE 1 HT3 PHE 1 64.440 8.967 3.648
4 HA PHE 1 HA PHE 1 62.775 7.786 4.673
5 HB2 PHE 1 HB2 PHE 1 61.578 10.310 3.464
6 HB3 PHE 1 HB1 PHE 1 60.921 9.437 4.868
7 HD1 PHE 1 HD1 PHE 1 62.134 9.389 7.015
8 HD2 PHE 1 HD2 PHE 1 63.661 11.583 3.626
9 HE1 PHE 1 HE1 PHE 1 63.722 10.591 8.510
10 HE2 PHE 1 HE2 PHE 1 65.250 12.786 5.121
11 HZ PHE 1 HZ PHE 1 65.308 12.262 7.557
12 H LEU 2 HN LEU 2 61.288 6.227 4.480
13 HA LEU 2 HA LEU 2 59.816 4.766 3.435
14 HB2 LEU 2 HB2 LEU 2 58.792 7.155 1.867
15 HB3 LEU 2 HB1 LEU 2 57.889 5.733 2.440
16 HG LEU 2 HG LEU 2 59.110 7.930 4.170
17 HD11 LEU 2 HD11 LEU 2 56.809 8.512 4.673
18 HD12 LEU 2 HD12 LEU 2 56.203 7.105 3.766
19 HD13 LEU 2 HD13 LEU 2 56.982 8.454 2.904
20 HD21 LEU 2 HD21 LEU 2 57.796 6.654 5.997
21 HD22 LEU 2 HD22 LEU 2 59.306 5.903 5.431
22 HD23 LEU 2 HD23 LEU 2 57.737 5.295 4.849
23 H GLY 3 HN GLY 3 58.737 4.452 0.989
24 HA2 GLY 3 HA1 GLY 3 60.622 4.997 -1.151
25 HA3 GLY 3 HA2 GLY 3 60.769 3.333 -0.551
26 H ALA 4 HN ALA 4 57.641 4.230 0.022
27 HA ALA 4 HA ALA 4 56.658 2.563 -2.158
28 HB1 ALA 4 HB1 ALA 4 55.076 4.339 -0.270
29 HB2 ALA 4 HB2 ALA 4 55.647 2.703 0.141
30 HB3 ALA 4 HB3 ALA 4 54.484 2.934 -1.187
31 H LEU 5 HN LEU 5 54.173 4.366 -2.296
32 HA LEU 5 HA LEU 5 54.795 5.571 -4.824
33 HB2 LEU 5 HB2 LEU 5 52.514 6.398 -2.994
34 HB3 LEU 5 HB1 LEU 5 52.572 6.442 -4.772
35 HG LEU 5 HG LEU 5 52.559 3.950 -3.012
36 HD11 LEU 5 HD11 LEU 5 50.386 3.537 -4.141
37 HD12 LEU 5 HD12 LEU 5 50.553 5.080 -5.014
38 HD13 LEU 5 HD13 LEU 5 50.370 5.074 -3.243
39 HD21 LEU 5 HD21 LEU 5 53.935 3.385 -4.877
40 HD22 LEU 5 HD22 LEU 5 52.953 4.352 -6.006
41 HD23 LEU 5 HD23 LEU 5 52.314 2.827 -5.347
42 H ILE 6 HN ILE 6 55.209 6.636 -1.549
43 HA ILE 6 HA ILE 6 55.637 8.781 -0.631
44 HB ILE 6 HB ILE 6 57.734 9.739 -1.540
45 HG12 ILE 6 HG12 ILE 6 57.525 7.671 -3.785
46 HG13 ILE 6 HG11 ILE 6 57.127 9.387 -4.001
47 HG21 ILE 6 HG21 ILE 6 59.140 7.849 -1.102
48 HG22 ILE 6 HG22 ILE 6 57.905 6.705 -1.680
49 HG23 ILE 6 HG23 ILE 6 57.655 7.591 -0.159
50 HD11 ILE 6 HD1 ILE 6 59.819 8.146 -3.342
51 HD12 ILE 6 HD2 ILE 6 59.497 9.876 -3.076
52 HD13 ILE 6 HD3 ILE 6 59.388 9.191 -4.713
53 H LYS 7 HN LYS 7 56.880 10.970 -2.435
54 HA LYS 7 HA LYS 7 55.918 13.003 -3.051
55 HB2 LYS 7 HB2 LYS 7 53.909 11.136 -4.417
56 HB3 LYS 7 HB1 LYS 7 53.858 12.908 -4.571
57 HG2 LYS 7 HG2 LYS 7 56.264 12.803 -5.395
58 HG3 LYS 7 HG1 LYS 7 56.086 11.033 -5.461
59 HD2 LYS 7 HD2 LYS 7 54.040 11.391 -6.928
60 HD3 LYS 7 HD1 LYS 7 54.485 13.113 -7.005
61 HE2 LYS 7 HE2 LYS 7 56.294 10.801 -7.832
62 HE3 LYS 7 HE1 LYS 7 55.370 11.828 -8.954
63 HZ1 LYS 7 HZ1 LYS 7 56.572 13.737 -7.717
64 HZ2 LYS 7 HZ2 LYS 7 57.417 12.855 -8.898
65 HZ3 LYS 7 HZ3 LYS 7 57.674 12.535 -7.249
66 H GLY 8 HN GLY 8 55.586 11.364 -0.924
67 HA2 GLY 8 HA1 GLY 8 54.425 10.737 0.863
68 HA3 GLY 8 HA2 GLY 8 54.211 12.519 1.061
69 H ALA 9 HN ALA 9 52.787 9.482 0.324
70 HA ALA 9 HA ALA 9 50.657 8.786 -0.155
71 HB1 ALA 9 HB1 ALA 9 50.244 9.469 2.110
72 HB2 ALA 9 HB2 ALA 9 48.863 10.020 1.130
73 HB3 ALA 9 HB3 ALA 9 50.117 11.178 1.633
74 H ILE 10 HN ILE 10 51.812 10.237 -2.190
75 HA ILE 10 HA ILE 10 51.392 11.704 -3.952
76 HB ILE 10 HB ILE 10 48.958 11.105 -4.968
77 HG12 ILE 10 HG12 ILE 10 49.484 8.853 -2.967
78 HG13 ILE 10 HG11 ILE 10 48.168 10.038 -2.852
79 HG21 ILE 10 HG21 ILE 10 51.132 8.974 -4.756
80 HG22 ILE 10 HG22 ILE 10 51.224 10.381 -5.842
81 HG23 ILE 10 HG23 ILE 10 49.945 9.173 -6.064
82 HD11 ILE 10 HD1 ILE 10 47.087 8.228 -3.886
83 HD12 ILE 10 HD2 ILE 10 48.524 7.777 -4.831
84 HD13 ILE 10 HD3 ILE 10 47.566 9.206 -5.293
85 H HIS 11 HN HIS 11 47.945 11.695 -3.320
86 HA HIS 11 HA HIS 11 47.713 14.488 -3.522
87 HB2 HIS 11 HB2 HIS 11 45.880 12.738 -1.855
88 HB3 HIS 11 HB1 HIS 11 45.478 14.242 -2.721
89 HD1 HIS 11 HD1 HIS 11 47.018 13.553 -5.401
90 HD2 HIS 11 HD2 HIS 11 44.347 10.979 -3.417
91 HE1 HIS 11 HE1 HIS 11 46.110 11.911 -7.137
92 H GLY 12 HN GLY 12 49.287 12.793 -1.031
93 HA2 GLY 12 HA1 GLY 12 48.389 14.350 1.230
94 HA3 GLY 12 HA2 GLY 12 49.930 13.482 1.105
95 H GLY 13 HN GLY 13 49.787 15.310 -1.574
96 HA2 GLY 13 HA1 GLY 13 50.449 17.934 -0.520
97 HA3 GLY 13 HA2 GLY 13 51.886 17.021 -1.026
98 H ARG 14 HN ARG 14 50.079 15.573 -3.022
99 HA ARG 14 HA ARG 14 50.631 17.376 -5.248
100 HB2 ARG 14 HB2 ARG 14 50.474 14.668 -4.999
101 HB3 ARG 14 HB1 ARG 14 48.840 14.976 -5.612
102 HG2 ARG 14 HG2 ARG 14 51.463 15.837 -6.924
103 HG3 ARG 14 HG1 ARG 14 50.391 14.531 -7.475
104 HD2 ARG 14 HD2 ARG 14 49.870 17.524 -7.484
105 HD3 ARG 14 HD1 ARG 14 49.862 16.398 -8.857
106 HE ARG 14 HE ARG 14 47.847 15.645 -6.926
107 HH11 ARG 14 HH11 ARG 14 45.725 15.844 -7.701
108 HH12 ARG 14 HH12 ARG 14 45.363 17.075 -8.865
109 HH21 ARG 14 HH21 ARG 14 48.651 18.136 -9.159
110 HH22 ARG 14 HH22 ARG 14 47.021 18.372 -9.691
111 H PHE 15 HN PHE 15 47.903 16.564 -3.202
112 HA PHE 15 HA PHE 15 45.665 17.253 -4.662
113 HB2 PHE 15 HB2 PHE 15 45.631 16.620 -2.274
114 HB3 PHE 15 HB1 PHE 15 46.315 18.206 -1.844
115 HD1 PHE 15 HD1 PHE 15 43.313 16.401 -3.019
116 HD2 PHE 15 HD2 PHE 15 44.987 20.271 -2.099
117 HE1 PHE 15 HE1 PHE 15 41.025 17.389 -3.013
118 HE2 PHE 15 HE2 PHE 15 42.701 21.259 -2.093
119 HZ PHE 15 HZ PHE 15 40.715 19.803 -2.474
120 H ILE 16 HN ILE 16 47.980 19.536 -3.154
121 HA ILE 16 HA ILE 16 46.523 21.867 -4.156
122 HB ILE 16 HB ILE 16 49.383 21.696 -3.116
123 HG12 ILE 16 HG12 ILE 16 47.440 20.861 -1.561
124 HG13 ILE 16 HG11 ILE 16 48.586 22.047 -0.917
125 HG21 ILE 16 HG21 ILE 16 48.913 24.143 -2.577
126 HG22 ILE 16 HG22 ILE 16 47.443 23.997 -3.571
127 HG23 ILE 16 HG23 ILE 16 49.045 23.751 -4.307
128 HD11 ILE 16 HD1 ILE 16 47.017 23.854 -1.201
129 HD12 ILE 16 HD2 ILE 16 46.129 22.522 -0.431
130 HD13 ILE 16 HD3 ILE 16 45.918 22.843 -2.164
131 H HIS 17 HN HIS 17 50.021 21.243 -4.731
132 HA HIS 17 HA HIS 17 49.624 20.919 -7.599
133 HB2 HIS 17 HB2 HIS 17 49.031 23.326 -7.381
134 HB3 HIS 17 HB1 HIS 17 50.645 23.640 -6.707
135 HD1 HIS 17 HD1 HIS 17 52.463 24.140 -8.351
136 HD2 HIS 17 HD2 HIS 17 49.287 22.016 -10.106
137 HE1 HIS 17 HE1 HIS 17 52.938 23.996 -10.858
138 H GLY 18 HN GLY 18 51.101 19.694 -5.434
139 HA2 GLY 18 HA1 GLY 18 53.306 18.631 -6.348
140 HA3 GLY 18 HA2 GLY 18 53.947 20.282 -6.159
141 H MET 19 HN MET 19 52.829 21.194 -3.999
142 HA MET 19 HA MET 19 52.492 19.723 -1.756
143 HB2 MET 19 HB2 MET 19 55.280 19.455 -2.511
144 HB3 MET 19 HB1 MET 19 55.191 20.367 -0.993
145 HG2 MET 19 HG2 MET 19 53.657 18.505 -0.121
146 HG3 MET 19 HG1 MET 19 54.107 17.585 -1.577
147 HE1 MET 19 HE1 MET 19 55.446 19.746 1.297
148 HE2 MET 19 HE2 MET 19 56.649 18.685 2.069
149 HE3 MET 19 HE3 MET 19 54.930 18.221 2.055
150 H ILE 20 HN ILE 20 51.081 21.412 -1.606
151 HA ILE 20 HA ILE 20 50.426 23.514 -0.870
152 HB ILE 20 HB ILE 20 53.149 23.382 0.517
153 HG12 ILE 20 HG12 ILE 20 51.775 23.102 2.531
154 HG13 ILE 20 HG11 ILE 20 50.289 23.338 1.583
155 HG21 ILE 20 HG21 ILE 20 51.179 25.676 0.336
156 HG22 ILE 20 HG22 ILE 20 52.958 25.717 0.416
157 HG23 ILE 20 HG23 ILE 20 52.013 25.389 1.881
158 HD11 ILE 20 HD1 ILE 20 51.034 20.892 2.139
159 HD12 ILE 20 HD2 ILE 20 52.247 21.132 0.860
160 HD13 ILE 20 HD3 ILE 20 50.512 21.256 0.479
161 H GLN 21 HN GLN 21 52.110 22.688 -3.166
162 HA GLN 21 HA GLN 21 52.437 23.880 -5.207
163 HB2 GLN 21 HB2 GLN 21 51.595 26.076 -4.017
164 HB3 GLN 21 HB1 GLN 21 53.320 26.377 -3.696
165 HG2 GLN 21 HG2 GLN 21 53.742 26.043 -6.181
166 HG3 GLN 21 HG1 GLN 21 51.976 26.028 -6.409
167 HE21 GLN 21 HE21 GLN 21 52.021 28.021 -3.901
168 HE22 GLN 21 HE22 GLN 21 52.327 29.571 -4.693
169 H ASN 22 HN ASN 22 53.866 22.258 -3.426
170 HA ASN 22 HA ASN 22 55.990 21.599 -2.832
171 HB2 ASN 22 HB2 ASN 22 57.596 21.602 -4.745
172 HB3 ASN 22 HB1 ASN 22 55.973 20.960 -5.128
173 HD21 ASN 22 HD21 ASN 22 58.031 23.930 -5.399
174 HD22 ASN 22 HD22 ASN 22 57.164 24.575 -6.797
175 H HIS 23 HN HIS 23 55.365 23.816 -1.606
176 HA HIS 23 HA HIS 23 56.259 25.727 -0.597
177 HB2 HIS 23 HB2 HIS 23 57.782 23.947 0.250
178 HB3 HIS 23 HB1 HIS 23 58.884 24.274 -1.108
179 HD1 HIS 23 HD1 HIS 23 57.638 25.681 2.165
180 HD2 HIS 23 HD2 HIS 23 60.218 26.824 -0.952
181 HE1 HIS 23 HE1 HIS 23 59.005 27.671 3.000
182 H HIS 24 HN HIS 24 55.885 27.470 -1.876
183 HA HIS 24 HA HIS 24 57.379 27.956 -4.318
184 HB2 HIS 24 HB2 HIS 24 56.275 30.175 -4.254
185 HB3 HIS 24 HB1 HIS 24 55.115 28.852 -3.984
186 HD1 HIS 24 HD1 HIS 24 54.573 28.312 -1.356
187 HD2 HIS 24 HD2 HIS 24 56.223 32.076 -2.245
188 HE1 HIS 24 HE1 HIS 24 54.181 29.815 0.674
Start of MODEL 56
1 H1 PHE 1 HT1 PHE 1 62.357 7.166 -9.351
2 H2 PHE 1 HT2 PHE 1 61.901 6.503 -7.855
3 H3 PHE 1 HT3 PHE 1 60.728 7.171 -8.886
4 HA PHE 1 HA PHE 1 61.497 5.453 -10.560
5 HB2 PHE 1 HB2 PHE 1 62.473 4.245 -7.940
6 HB3 PHE 1 HB1 PHE 1 62.388 3.404 -9.507
7 HD1 PHE 1 HD1 PHE 1 64.015 6.209 -7.653
8 HD2 PHE 1 HD2 PHE 1 64.054 3.771 -11.216
9 HE1 PHE 1 HE1 PHE 1 66.249 7.128 -8.256
10 HE2 PHE 1 HE2 PHE 1 66.290 4.691 -11.818
11 HZ PHE 1 HZ PHE 1 67.437 6.277 -10.276
12 H LEU 2 HN LEU 2 60.382 5.199 -7.163
13 HA LEU 2 HA LEU 2 58.316 3.264 -7.781
14 HB2 LEU 2 HB2 LEU 2 58.302 5.176 -5.422
15 HB3 LEU 2 HB1 LEU 2 57.629 3.532 -5.521
16 HG LEU 2 HG LEU 2 60.586 4.283 -5.606
17 HD11 LEU 2 HD11 LEU 2 58.889 2.808 -3.543
18 HD12 LEU 2 HD12 LEU 2 59.569 4.444 -3.365
19 HD13 LEU 2 HD13 LEU 2 60.652 3.034 -3.455
20 HD21 LEU 2 HD21 LEU 2 60.809 1.707 -5.422
21 HD22 LEU 2 HD22 LEU 2 60.346 2.362 -7.010
22 HD23 LEU 2 HD23 LEU 2 59.110 1.640 -5.950
23 H GLY 3 HN GLY 3 56.054 4.229 -6.529
24 HA2 GLY 3 HA1 GLY 3 55.212 6.779 -7.583
25 HA3 GLY 3 HA2 GLY 3 54.655 5.454 -8.625
26 H ALA 4 HN ALA 4 55.019 5.797 -5.071
27 HA ALA 4 HA ALA 4 52.138 5.869 -4.655
28 HB1 ALA 4 HB1 ALA 4 51.943 3.685 -3.534
29 HB2 ALA 4 HB2 ALA 4 53.620 3.302 -3.990
30 HB3 ALA 4 HB3 ALA 4 52.378 3.494 -5.249
31 H LEU 5 HN LEU 5 55.267 4.860 -3.210
32 HA LEU 5 HA LEU 5 54.515 5.693 -0.543
33 HB2 LEU 5 HB2 LEU 5 57.360 5.500 -1.582
34 HB3 LEU 5 HB1 LEU 5 56.755 5.196 0.064
35 HG LEU 5 HG LEU 5 56.220 3.513 -2.424
36 HD11 LEU 5 HD11 LEU 5 57.513 1.817 -1.281
37 HD12 LEU 5 HD12 LEU 5 57.589 2.797 0.202
38 HD13 LEU 5 HD13 LEU 5 58.467 3.318 -1.256
39 HD21 LEU 5 HD21 LEU 5 55.094 1.983 -0.669
40 HD22 LEU 5 HD22 LEU 5 54.192 3.438 -1.148
41 HD23 LEU 5 HD23 LEU 5 55.074 3.407 0.398
42 H ILE 6 HN ILE 6 56.790 7.130 -2.936
43 HA ILE 6 HA ILE 6 56.846 9.669 -1.383
44 HB ILE 6 HB ILE 6 58.350 10.462 -3.180
45 HG12 ILE 6 HG12 ILE 6 57.601 7.846 -4.574
46 HG13 ILE 6 HG11 ILE 6 57.213 9.488 -5.136
47 HG21 ILE 6 HG21 ILE 6 60.169 8.949 -2.814
48 HG22 ILE 6 HG22 ILE 6 59.072 7.559 -2.622
49 HG23 ILE 6 HG23 ILE 6 59.141 8.820 -1.368
50 HD11 ILE 6 HD1 ILE 6 59.788 9.895 -5.091
51 HD12 ILE 6 HD2 ILE 6 59.125 8.892 -6.403
52 HD13 ILE 6 HD3 ILE 6 59.920 8.122 -5.011
53 H LYS 7 HN LYS 7 56.970 11.384 -3.801
54 HA LYS 7 HA LYS 7 55.390 12.883 -4.627
55 HB2 LYS 7 HB2 LYS 7 54.714 10.682 -5.971
56 HB3 LYS 7 HB1 LYS 7 53.347 10.624 -4.834
57 HG2 LYS 7 HG2 LYS 7 52.594 12.833 -5.538
58 HG3 LYS 7 HG1 LYS 7 54.043 13.052 -6.548
59 HD2 LYS 7 HD2 LYS 7 53.374 11.203 -7.998
60 HD3 LYS 7 HD1 LYS 7 51.982 10.842 -6.949
61 HE2 LYS 7 HE2 LYS 7 51.117 13.167 -7.401
62 HE3 LYS 7 HE1 LYS 7 52.440 13.380 -8.573
63 HZ1 LYS 7 HZ1 LYS 7 50.276 12.608 -9.530
64 HZ2 LYS 7 HZ2 LYS 7 50.489 11.140 -8.702
65 HZ3 LYS 7 HZ3 LYS 7 51.604 11.618 -9.891
66 H GLY 8 HN GLY 8 55.939 11.884 -2.173
67 HA2 GLY 8 HA1 GLY 8 55.400 11.583 -0.052
68 HA3 GLY 8 HA2 GLY 8 54.692 13.236 -0.217
69 H ALA 9 HN ALA 9 54.098 9.771 -0.295
70 HA ALA 9 HA ALA 9 52.212 8.511 0.099
71 HB1 ALA 9 HB1 ALA 9 51.045 11.008 1.368
72 HB2 ALA 9 HB2 ALA 9 52.223 9.951 2.182
73 HB3 ALA 9 HB3 ALA 9 50.630 9.312 1.710
74 H ILE 10 HN ILE 10 52.104 8.767 -2.328
75 HA ILE 10 HA ILE 10 50.784 8.930 -4.202
76 HB ILE 10 HB ILE 10 48.731 9.045 -2.004
77 HG12 ILE 10 HG12 ILE 10 48.699 7.550 -4.656
78 HG13 ILE 10 HG11 ILE 10 49.628 6.983 -3.252
79 HG21 ILE 10 HG21 ILE 10 47.764 10.847 -3.230
80 HG22 ILE 10 HG22 ILE 10 46.881 9.397 -3.748
81 HG23 ILE 10 HG23 ILE 10 48.139 10.086 -4.796
82 HD11 ILE 10 HD1 ILE 10 47.629 5.812 -2.930
83 HD12 ILE 10 HD2 ILE 10 46.630 7.092 -3.645
84 HD13 ILE 10 HD3 ILE 10 47.266 7.278 -1.995
85 H HIS 11 HN HIS 11 49.490 11.545 -2.083
86 HA HIS 11 HA HIS 11 50.742 13.579 -3.814
87 HB2 HIS 11 HB2 HIS 11 48.671 13.043 -5.060
88 HB3 HIS 11 HB1 HIS 11 47.712 13.326 -3.587
89 HD1 HIS 11 HD1 HIS 11 47.386 15.767 -2.780
90 HD2 HIS 11 HD2 HIS 11 49.662 15.412 -6.300
91 HE1 HIS 11 HE1 HIS 11 47.646 18.112 -3.759
92 H GLY 12 HN GLY 12 49.858 12.349 -0.926
93 HA2 GLY 12 HA1 GLY 12 49.717 13.236 1.212
94 HA3 GLY 12 HA2 GLY 12 50.599 14.640 0.574
95 H GLY 13 HN GLY 13 47.602 13.792 -0.927
96 HA2 GLY 13 HA1 GLY 13 45.960 15.532 0.790
97 HA3 GLY 13 HA2 GLY 13 46.336 16.204 -0.811
98 H ARG 14 HN ARG 14 46.432 13.472 -2.016
99 HA ARG 14 HA ARG 14 43.469 13.165 -2.324
100 HB2 ARG 14 HB2 ARG 14 45.426 13.387 -4.219
101 HB3 ARG 14 HB1 ARG 14 45.390 11.622 -4.059
102 HG2 ARG 14 HG2 ARG 14 43.008 13.435 -4.680
103 HG3 ARG 14 HG1 ARG 14 43.839 12.362 -5.828
104 HD2 ARG 14 HD2 ARG 14 42.121 11.597 -3.439
105 HD3 ARG 14 HD1 ARG 14 41.902 11.155 -5.145
106 HE ARG 14 HE ARG 14 44.420 10.128 -4.267
107 HH11 ARG 14 HH11 ARG 14 44.234 7.824 -4.697
108 HH12 ARG 14 HH12 ARG 14 42.933 6.987 -3.919
109 HH21 ARG 14 HH21 ARG 14 41.349 9.888 -2.865
110 HH22 ARG 14 HH22 ARG 14 41.299 8.157 -2.880
111 H PHE 15 HN PHE 15 46.322 11.674 -1.017
112 HA PHE 15 HA PHE 15 45.841 8.956 -1.012
113 HB2 PHE 15 HB2 PHE 15 47.709 10.118 0.182
114 HB3 PHE 15 HB1 PHE 15 46.567 10.559 1.471
115 HD1 PHE 15 HD1 PHE 15 48.647 7.903 0.066
116 HD2 PHE 15 HD2 PHE 15 45.381 8.729 2.764
117 HE1 PHE 15 HE1 PHE 15 48.958 5.672 1.127
118 HE2 PHE 15 HE2 PHE 15 45.695 6.498 3.826
119 HZ PHE 15 HZ PHE 15 47.441 4.945 2.964
120 H ILE 16 HN ILE 16 44.598 11.081 1.627
121 HA ILE 16 HA ILE 16 42.714 9.035 2.483
122 HB ILE 16 HB ILE 16 42.615 12.005 3.176
123 HG12 ILE 16 HG12 ILE 16 44.197 9.769 4.528
124 HG13 ILE 16 HG11 ILE 16 44.909 11.062 3.533
125 HG21 ILE 16 HG21 ILE 16 41.826 9.535 4.780
126 HG22 ILE 16 HG22 ILE 16 40.680 10.474 3.794
127 HG23 ILE 16 HG23 ILE 16 41.492 11.234 5.181
128 HD11 ILE 16 HD1 ILE 16 43.664 12.687 5.189
129 HD12 ILE 16 HD2 ILE 16 45.161 11.892 5.730
130 HD13 ILE 16 HD3 ILE 16 43.584 11.263 6.255
131 H HIS 17 HN HIS 17 41.845 12.413 1.623
132 HA HIS 17 HA HIS 17 40.247 11.749 -0.656
133 HB2 HIS 17 HB2 HIS 17 38.800 10.563 0.956
134 HB3 HIS 17 HB1 HIS 17 38.721 12.018 1.973
135 HD1 HIS 17 HD1 HIS 17 36.968 13.739 1.416
136 HD2 HIS 17 HD2 HIS 17 37.616 11.034 -1.737
137 HE1 HIS 17 HE1 HIS 17 35.182 14.192 -0.355
138 H GLY 18 HN GLY 18 41.724 13.617 -0.988
139 HA2 GLY 18 HA1 GLY 18 42.000 15.910 -1.244
140 HA3 GLY 18 HA2 GLY 18 40.275 16.078 -0.908
141 H MET 19 HN MET 19 42.997 14.875 1.033
142 HA MET 19 HA MET 19 43.421 15.457 3.192
143 HB2 MET 19 HB2 MET 19 44.458 17.262 1.770
144 HB3 MET 19 HB1 MET 19 43.094 18.256 2.308
145 HG2 MET 19 HG2 MET 19 43.859 18.327 4.543
146 HG3 MET 19 HG1 MET 19 44.839 16.854 4.362
147 HE1 MET 19 HE1 MET 19 46.901 17.854 5.460
148 HE2 MET 19 HE2 MET 19 45.930 19.304 5.804
149 HE3 MET 19 HE3 MET 19 47.559 19.470 5.106
150 H ILE 20 HN ILE 20 40.516 15.334 2.405
151 HA ILE 20 HA ILE 20 38.522 15.688 3.544
152 HB ILE 20 HB ILE 20 40.181 16.322 6.033
153 HG12 ILE 20 HG12 ILE 20 41.037 14.206 5.329
154 HG13 ILE 20 HG11 ILE 20 39.813 13.816 6.551
155 HG21 ILE 20 HG21 ILE 20 37.911 16.871 6.414
156 HG22 ILE 20 HG22 ILE 20 38.087 15.249 7.113
157 HG23 ILE 20 HG23 ILE 20 37.312 15.455 5.528
158 HD11 ILE 20 HD1 ILE 20 39.426 12.296 4.745
159 HD12 ILE 20 HD2 ILE 20 39.596 13.578 3.526
160 HD13 ILE 20 HD3 ILE 20 38.165 13.534 4.578
161 H GLN 21 HN GLN 21 41.100 17.833 3.172
162 HA GLN 21 HA GLN 21 39.402 20.240 3.957
163 HB2 GLN 21 HB2 GLN 21 41.855 19.922 4.775
164 HB3 GLN 21 HB1 GLN 21 42.320 20.308 3.103
165 HG2 GLN 21 HG2 GLN 21 40.895 22.409 3.295
166 HG3 GLN 21 HG1 GLN 21 40.739 22.053 5.032
167 HE21 GLN 21 HE21 GLN 21 41.972 24.436 4.517
168 HE22 GLN 21 HE22 GLN 21 43.719 24.300 4.737
169 H ASN 22 HN ASN 22 41.287 18.730 1.300
170 HA ASN 22 HA ASN 22 40.345 20.769 -0.620
171 HB2 ASN 22 HB2 ASN 22 42.091 18.275 -0.719
172 HB3 ASN 22 HB1 ASN 22 41.491 19.029 -2.221
173 HD21 ASN 22 HD21 ASN 22 43.808 19.547 -2.726
174 HD22 ASN 22 HD22 ASN 22 44.558 20.937 -1.936
175 H HIS 23 HN HIS 23 39.637 17.577 0.679
176 HA HIS 23 HA HIS 23 37.999 16.012 0.055
177 HB2 HIS 23 HB2 HIS 23 35.716 17.000 -0.034
178 HB3 HIS 23 HB1 HIS 23 36.691 17.642 1.309
179 HD1 HIS 23 HD1 HIS 23 36.002 18.556 -2.372
180 HD2 HIS 23 HD2 HIS 23 36.751 20.400 1.331
181 HE1 HIS 23 HE1 HIS 23 35.789 21.078 -2.720
182 H HIS 24 HN HIS 24 39.599 17.215 -2.230
183 HA HIS 24 HA HIS 24 39.576 17.135 -4.551
184 HB2 HIS 24 HB2 HIS 24 39.152 14.747 -4.088
185 HB3 HIS 24 HB1 HIS 24 37.402 15.064 -4.041
186 HD1 HIS 24 HD1 HIS 24 39.379 16.995 -6.554
187 HD2 HIS 24 HD2 HIS 24 37.085 13.473 -6.436
188 HE1 HIS 24 HE1 HIS 24 38.965 16.274 -8.969
Start of MODEL 57
1 H1 PHE 1 HT1 PHE 1 48.840 3.291 4.259
2 H2 PHE 1 HT2 PHE 1 49.176 3.017 5.903
3 H3 PHE 1 HT3 PHE 1 48.832 1.711 4.872
4 HA PHE 1 HA PHE 1 51.282 3.065 5.371
5 HB2 PHE 1 HB2 PHE 1 50.735 0.527 3.793
6 HB3 PHE 1 HB1 PHE 1 52.208 0.971 4.689
7 HD1 PHE 1 HD1 PHE 1 48.840 -0.450 4.920
8 HD2 PHE 1 HD2 PHE 1 52.153 1.114 7.202
9 HE1 PHE 1 HE1 PHE 1 47.917 -1.502 6.982
10 HE2 PHE 1 HE2 PHE 1 51.229 0.062 9.264
11 HZ PHE 1 HZ PHE 1 49.132 -1.279 9.146
12 H LEU 2 HN LEU 2 52.429 1.673 2.939
13 HA LEU 2 HA LEU 2 52.488 4.024 1.242
14 HB2 LEU 2 HB2 LEU 2 53.400 1.233 0.462
15 HB3 LEU 2 HB1 LEU 2 54.029 2.800 -0.100
16 HG LEU 2 HG LEU 2 54.247 1.679 2.730
17 HD11 LEU 2 HD11 LEU 2 56.320 2.184 0.548
18 HD12 LEU 2 HD12 LEU 2 55.751 0.592 1.105
19 HD13 LEU 2 HD13 LEU 2 56.680 1.640 2.203
20 HD21 LEU 2 HD21 LEU 2 54.082 4.050 2.969
21 HD22 LEU 2 HD22 LEU 2 55.022 4.352 1.488
22 HD23 LEU 2 HD23 LEU 2 55.829 3.730 2.947
23 H GLY 3 HN GLY 3 51.970 4.043 -1.067
24 HA2 GLY 3 HA1 GLY 3 50.123 2.102 -2.153
25 HA3 GLY 3 HA2 GLY 3 49.264 3.540 -1.572
26 H ALA 4 HN ALA 4 52.359 4.452 -2.443
27 HA ALA 4 HA ALA 4 52.064 4.591 -5.318
28 HB1 ALA 4 HB1 ALA 4 50.288 6.202 -4.640
29 HB2 ALA 4 HB2 ALA 4 51.606 6.963 -5.563
30 HB3 ALA 4 HB3 ALA 4 51.525 7.162 -3.795
31 H LEU 5 HN LEU 5 53.740 4.743 -2.483
32 HA LEU 5 HA LEU 5 55.929 5.267 -1.937
33 HB2 LEU 5 HB2 LEU 5 56.140 4.853 -4.938
34 HB3 LEU 5 HB1 LEU 5 57.567 5.221 -3.950
35 HG LEU 5 HG LEU 5 57.091 2.740 -4.402
36 HD11 LEU 5 HD11 LEU 5 58.496 3.719 -2.452
37 HD12 LEU 5 HD12 LEU 5 57.926 2.045 -2.299
38 HD13 LEU 5 HD13 LEU 5 57.097 3.344 -1.420
39 HD21 LEU 5 HD21 LEU 5 54.590 2.987 -4.022
40 HD22 LEU 5 HD22 LEU 5 54.933 3.114 -2.281
41 HD23 LEU 5 HD23 LEU 5 55.349 1.628 -3.164
42 H ILE 6 HN ILE 6 56.189 7.227 -1.092
43 HA ILE 6 HA ILE 6 56.439 9.553 -0.943
44 HB ILE 6 HB ILE 6 57.623 9.582 -3.765
45 HG12 ILE 6 HG12 ILE 6 58.886 8.300 -1.296
46 HG13 ILE 6 HG11 ILE 6 58.489 7.488 -2.827
47 HG21 ILE 6 HG21 ILE 6 57.464 11.583 -2.073
48 HG22 ILE 6 HG22 ILE 6 59.022 11.280 -2.874
49 HG23 ILE 6 HG23 ILE 6 58.766 10.748 -1.195
50 HD11 ILE 6 HD1 ILE 6 60.053 9.190 -3.963
51 HD12 ILE 6 HD2 ILE 6 60.830 7.953 -2.946
52 HD13 ILE 6 HD3 ILE 6 60.611 9.606 -2.324
53 H LYS 7 HN LYS 7 56.567 11.198 -3.593
54 HA LYS 7 HA LYS 7 54.956 12.666 -4.412
55 HB2 LYS 7 HB2 LYS 7 54.182 10.328 -5.511
56 HB3 LYS 7 HB1 LYS 7 52.839 10.482 -4.363
57 HG2 LYS 7 HG2 LYS 7 51.966 11.565 -6.263
58 HG3 LYS 7 HG1 LYS 7 52.621 12.935 -5.338
59 HD2 LYS 7 HD2 LYS 7 54.646 12.954 -6.716
60 HD3 LYS 7 HD1 LYS 7 54.132 11.472 -7.556
61 HE2 LYS 7 HE2 LYS 7 52.158 12.643 -8.453
62 HE3 LYS 7 HE1 LYS 7 52.630 14.126 -7.587
63 HZ1 LYS 7 HZ1 LYS 7 53.318 14.003 -9.982
64 HZ2 LYS 7 HZ2 LYS 7 54.392 12.758 -9.553
65 HZ3 LYS 7 HZ3 LYS 7 54.579 14.311 -8.889
66 H GLY 8 HN GLY 8 55.607 11.831 -1.922
67 HA2 GLY 8 HA1 GLY 8 55.139 11.657 0.244
68 HA3 GLY 8 HA2 GLY 8 54.525 13.339 0.000
69 H ALA 9 HN ALA 9 53.728 9.931 0.214
70 HA ALA 9 HA ALA 9 51.776 8.819 0.708
71 HB1 ALA 9 HB1 ALA 9 50.987 11.467 1.977
72 HB2 ALA 9 HB2 ALA 9 51.955 10.201 2.766
73 HB3 ALA 9 HB3 ALA 9 50.265 9.876 2.312
74 H ILE 10 HN ILE 10 51.530 8.946 -1.679
75 HA ILE 10 HA ILE 10 50.122 9.130 -3.493
76 HB ILE 10 HB ILE 10 48.183 9.806 -1.255
77 HG12 ILE 10 HG12 ILE 10 46.941 7.926 -2.276
78 HG13 ILE 10 HG11 ILE 10 48.130 7.851 -3.597
79 HG21 ILE 10 HG21 ILE 10 47.407 11.482 -2.735
80 HG22 ILE 10 HG22 ILE 10 46.367 10.076 -3.071
81 HG23 ILE 10 HG23 ILE 10 47.707 10.476 -4.174
82 HD11 ILE 10 HD1 ILE 10 48.842 7.546 -0.648
83 HD12 ILE 10 HD2 ILE 10 49.907 7.266 -2.047
84 HD13 ILE 10 HD3 ILE 10 48.534 6.175 -1.742
85 H HIS 11 HN HIS 11 49.224 12.011 -1.557
86 HA HIS 11 HA HIS 11 50.602 13.758 -3.543
87 HB2 HIS 11 HB2 HIS 11 47.640 13.849 -2.855
88 HB3 HIS 11 HB1 HIS 11 48.514 15.182 -3.649
89 HD1 HIS 11 HD1 HIS 11 50.299 13.670 -5.624
90 HD2 HIS 11 HD2 HIS 11 46.284 12.628 -4.936
91 HE1 HIS 11 HE1 HIS 11 49.469 12.427 -7.696
92 H GLY 12 HN GLY 12 49.689 12.800 -0.487
93 HA2 GLY 12 HA1 GLY 12 50.260 13.688 1.584
94 HA3 GLY 12 HA2 GLY 12 51.056 15.040 0.759
95 H GLY 13 HN GLY 13 47.860 14.654 -0.354
96 HA2 GLY 13 HA1 GLY 13 46.342 15.831 1.711
97 HA3 GLY 13 HA2 GLY 13 47.078 17.167 0.809
98 H ARG 14 HN ARG 14 45.668 14.001 -0.212
99 HA ARG 14 HA ARG 14 43.353 15.356 -1.363
100 HB2 ARG 14 HB2 ARG 14 45.051 15.889 -3.103
101 HB3 ARG 14 HB1 ARG 14 45.389 14.155 -3.280
102 HG2 ARG 14 HG2 ARG 14 43.843 14.937 -5.042
103 HG3 ARG 14 HG1 ARG 14 43.056 13.744 -3.991
104 HD2 ARG 14 HD2 ARG 14 41.666 15.355 -2.989
105 HD3 ARG 14 HD1 ARG 14 42.784 16.696 -3.347
106 HE ARG 14 HE ARG 14 41.978 15.816 -5.853
107 HH11 ARG 14 HH11 ARG 14 39.631 15.270 -3.715
108 HH12 ARG 14 HH12 ARG 14 38.580 16.569 -4.170
109 HH21 ARG 14 HH21 ARG 14 40.959 18.161 -6.128
110 HH22 ARG 14 HH22 ARG 14 39.331 18.205 -5.538
111 H PHE 15 HN PHE 15 45.356 12.561 -0.773
112 HA PHE 15 HA PHE 15 43.872 10.460 -1.830
113 HB2 PHE 15 HB2 PHE 15 45.942 10.142 -0.550
114 HB3 PHE 15 HB1 PHE 15 45.108 10.616 0.948
115 HD1 PHE 15 HD1 PHE 15 44.307 8.860 2.313
116 HD2 PHE 15 HD2 PHE 15 44.620 8.231 -1.951
117 HE1 PHE 15 HE1 PHE 15 43.541 6.509 2.600
118 HE2 PHE 15 HE2 PHE 15 43.852 5.882 -1.658
119 HZ PHE 15 HZ PHE 15 43.364 5.005 0.621
120 H ILE 16 HN ILE 16 42.838 12.779 0.510
121 HA ILE 16 HA ILE 16 40.279 11.244 0.855
122 HB ILE 16 HB ILE 16 41.542 12.881 3.094
123 HG12 ILE 16 HG12 ILE 16 42.858 10.739 2.462
124 HG13 ILE 16 HG11 ILE 16 42.336 10.904 4.147
125 HG21 ILE 16 HG21 ILE 16 39.167 12.757 3.322
126 HG22 ILE 16 HG22 ILE 16 39.829 11.539 4.435
127 HG23 ILE 16 HG23 ILE 16 39.136 11.035 2.880
128 HD11 ILE 16 HD1 ILE 16 40.516 9.352 3.831
129 HD12 ILE 16 HD2 ILE 16 41.961 8.607 3.115
130 HD13 ILE 16 HD3 ILE 16 40.737 9.347 2.067
131 H HIS 17 HN HIS 17 41.363 14.418 2.206
132 HA HIS 17 HA HIS 17 39.675 15.805 0.178
133 HB2 HIS 17 HB2 HIS 17 39.098 15.866 3.165
134 HB3 HIS 17 HB1 HIS 17 38.407 16.998 1.980
135 HD1 HIS 17 HD1 HIS 17 37.712 15.171 -0.353
136 HD2 HIS 17 HD2 HIS 17 37.045 14.081 3.655
137 HE1 HIS 17 HE1 HIS 17 35.875 13.396 -0.343
138 H GLY 18 HN GLY 18 42.549 15.565 1.407
139 HA2 GLY 18 HA1 GLY 18 44.296 17.046 1.729
140 HA3 GLY 18 HA2 GLY 18 43.299 18.266 0.907
141 H MET 19 HN MET 19 42.975 16.434 3.930
142 HA MET 19 HA MET 19 43.541 18.566 5.759
143 HB2 MET 19 HB2 MET 19 41.618 19.547 4.780
144 HB3 MET 19 HB1 MET 19 40.710 18.073 5.060
145 HG2 MET 19 HG2 MET 19 40.753 18.382 7.444
146 HG3 MET 19 HG1 MET 19 41.999 19.646 7.317
147 HE1 MET 19 HE1 MET 19 38.348 18.774 7.560
148 HE2 MET 19 HE2 MET 19 38.532 18.681 5.793
149 HE3 MET 19 HE3 MET 19 37.493 19.932 6.513
150 H ILE 20 HN ILE 20 41.166 15.926 5.139
151 HA ILE 20 HA ILE 20 41.511 14.852 7.853
152 HB ILE 20 HB ILE 20 40.416 13.679 5.243
153 HG12 ILE 20 HG12 ILE 20 38.289 13.710 6.415
154 HG13 ILE 20 HG11 ILE 20 39.081 14.119 7.953
155 HG21 ILE 20 HG21 ILE 20 39.726 11.710 6.784
156 HG22 ILE 20 HG22 ILE 20 40.955 12.322 7.917
157 HG23 ILE 20 HG23 ILE 20 41.434 11.782 6.290
158 HD11 ILE 20 HD1 ILE 20 37.947 16.055 6.663
159 HD12 ILE 20 HD2 ILE 20 39.300 15.923 5.516
160 HD13 ILE 20 HD3 ILE 20 39.615 16.321 7.221
161 H GLN 21 HN GLN 21 43.186 15.356 5.081
162 HA GLN 21 HA GLN 21 45.351 13.429 5.752
163 HB2 GLN 21 HB2 GLN 21 44.045 12.989 3.560
164 HB3 GLN 21 HB1 GLN 21 44.754 14.509 2.970
165 HG2 GLN 21 HG2 GLN 21 46.231 12.757 2.244
166 HG3 GLN 21 HG1 GLN 21 47.040 13.545 3.619
167 HE21 GLN 21 HE21 GLN 21 44.538 10.923 3.192
168 HE22 GLN 21 HE22 GLN 21 45.310 9.824 4.339
169 H ASN 22 HN ASN 22 44.228 16.868 5.111
170 HA ASN 22 HA ASN 22 47.229 17.570 5.182
171 HB2 ASN 22 HB2 ASN 22 45.734 18.288 3.162
172 HB3 ASN 22 HB1 ASN 22 45.075 19.495 4.285
173 HD21 ASN 22 HD21 ASN 22 46.766 19.995 1.868
174 HD22 ASN 22 HD22 ASN 22 48.207 20.817 2.474
175 H HIS 23 HN HIS 23 45.024 17.069 7.352
176 HA HIS 23 HA HIS 23 44.353 18.079 9.353
177 HB2 HIS 23 HB2 HIS 23 47.278 18.881 9.134
178 HB3 HIS 23 HB1 HIS 23 46.311 19.045 10.619
179 HD1 HIS 23 HD1 HIS 23 45.167 16.730 11.512
180 HD2 HIS 23 HD2 HIS 23 48.393 16.364 8.841
181 HE1 HIS 23 HE1 HIS 23 46.010 14.322 11.662
182 H HIS 24 HN HIS 24 44.250 19.834 6.793
183 HA HIS 24 HA HIS 24 44.808 22.521 7.440
184 HB2 HIS 24 HB2 HIS 24 44.016 21.569 5.210
185 HB3 HIS 24 HB1 HIS 24 42.369 21.586 5.883
186 HD1 HIS 24 HD1 HIS 24 45.265 23.925 5.023
187 HD2 HIS 24 HD2 HIS 24 41.143 24.095 5.835
188 HE1 HIS 24 HE1 HIS 24 44.503 26.327 4.600
Start of MODEL 58
1 H1 PHE 1 HT1 PHE 1 63.858 -1.004 1.156
2 H2 PHE 1 HT2 PHE 1 63.361 -1.283 2.756
3 H3 PHE 1 HT3 PHE 1 63.407 0.300 2.140
4 HA PHE 1 HA PHE 1 61.831 -1.216 0.440
5 HB2 PHE 1 HB2 PHE 1 61.134 -1.475 3.393
6 HB3 PHE 1 HB1 PHE 1 60.046 -1.885 2.044
7 HD1 PHE 1 HD1 PHE 1 60.416 -3.866 0.675
8 HD2 PHE 1 HD2 PHE 1 63.188 -2.798 3.806
9 HE1 PHE 1 HE1 PHE 1 61.481 -6.112 0.499
10 HE2 PHE 1 HE2 PHE 1 64.254 -5.043 3.628
11 HZ PHE 1 HZ PHE 1 63.451 -6.669 1.920
12 H LEU 2 HN LEU 2 59.326 -0.401 1.248
13 HA LEU 2 HA LEU 2 59.437 2.415 2.090
14 HB2 LEU 2 HB2 LEU 2 58.376 3.251 -0.017
15 HB3 LEU 2 HB1 LEU 2 60.068 2.753 -0.220
16 HG LEU 2 HG LEU 2 57.909 0.680 -0.744
17 HD11 LEU 2 HD11 LEU 2 57.684 1.461 -3.086
18 HD12 LEU 2 HD12 LEU 2 58.666 2.895 -2.701
19 HD13 LEU 2 HD13 LEU 2 57.075 2.674 -1.934
20 HD21 LEU 2 HD21 LEU 2 60.614 1.349 -2.006
21 HD22 LEU 2 HD22 LEU 2 59.536 0.053 -2.570
22 HD23 LEU 2 HD23 LEU 2 60.243 -0.029 -0.943
23 H GLY 3 HN GLY 3 57.048 3.346 1.271
24 HA2 GLY 3 HA1 GLY 3 54.882 1.501 1.332
25 HA3 GLY 3 HA2 GLY 3 55.226 2.005 2.997
26 H ALA 4 HN ALA 4 55.411 3.802 -0.094
27 HA ALA 4 HA ALA 4 52.984 5.300 0.419
28 HB1 ALA 4 HB1 ALA 4 54.322 6.340 2.169
29 HB2 ALA 4 HB2 ALA 4 54.074 7.497 0.839
30 HB3 ALA 4 HB3 ALA 4 55.636 6.659 1.014
31 H LEU 5 HN LEU 5 55.944 4.644 -1.267
32 HA LEU 5 HA LEU 5 56.555 4.983 -3.469
33 HB2 LEU 5 HB2 LEU 5 54.092 4.095 -3.685
34 HB3 LEU 5 HB1 LEU 5 53.696 5.772 -4.112
35 HG LEU 5 HG LEU 5 55.750 5.504 -5.812
36 HD11 LEU 5 HD11 LEU 5 54.837 2.622 -5.375
37 HD12 LEU 5 HD12 LEU 5 56.462 3.272 -5.054
38 HD13 LEU 5 HD13 LEU 5 55.855 3.178 -6.722
39 HD21 LEU 5 HD21 LEU 5 53.040 4.176 -6.275
40 HD22 LEU 5 HD22 LEU 5 54.164 4.710 -7.548
41 HD23 LEU 5 HD23 LEU 5 53.399 5.907 -6.475
42 H ILE 6 HN ILE 6 56.279 7.253 -1.448
43 HA ILE 6 HA ILE 6 56.450 9.596 -1.401
44 HB ILE 6 HB ILE 6 57.658 9.503 -4.210
45 HG12 ILE 6 HG12 ILE 6 58.895 8.289 -1.695
46 HG13 ILE 6 HG11 ILE 6 58.471 7.425 -3.191
47 HG21 ILE 6 HG21 ILE 6 57.521 11.561 -2.604
48 HG22 ILE 6 HG22 ILE 6 59.090 11.197 -3.358
49 HG23 ILE 6 HG23 ILE 6 58.787 10.737 -1.665
50 HD11 ILE 6 HD1 ILE 6 60.647 9.507 -2.778
51 HD12 ILE 6 HD2 ILE 6 60.065 9.056 -4.399
52 HD13 ILE 6 HD3 ILE 6 60.818 7.831 -3.349
53 H LYS 7 HN LYS 7 56.610 11.131 -4.102
54 HA LYS 7 HA LYS 7 55.004 12.566 -5.008
55 HB2 LYS 7 HB2 LYS 7 53.124 10.149 -4.915
56 HB3 LYS 7 HB1 LYS 7 52.930 11.603 -5.924
57 HG2 LYS 7 HG2 LYS 7 54.875 11.046 -7.243
58 HG3 LYS 7 HG1 LYS 7 55.330 9.737 -6.124
59 HD2 LYS 7 HD2 LYS 7 53.365 8.445 -6.731
60 HD3 LYS 7 HD1 LYS 7 52.722 9.793 -7.700
61 HE2 LYS 7 HE2 LYS 7 53.789 8.100 -9.155
62 HE3 LYS 7 HE1 LYS 7 54.683 9.637 -9.213
63 HZ1 LYS 7 HZ1 LYS 7 56.296 7.981 -8.931
64 HZ2 LYS 7 HZ2 LYS 7 55.392 7.152 -7.757
65 HZ3 LYS 7 HZ3 LYS 7 56.105 8.647 -7.383
66 H GLY 8 HN GLY 8 55.624 11.835 -2.477
67 HA2 GLY 8 HA1 GLY 8 55.106 11.726 -0.316
68 HA3 GLY 8 HA2 GLY 8 54.485 13.393 -0.631
69 H ALA 9 HN ALA 9 53.684 9.964 -0.438
70 HA ALA 9 HA ALA 9 51.752 8.871 0.152
71 HB1 ALA 9 HB1 ALA 9 51.897 10.589 2.047
72 HB2 ALA 9 HB2 ALA 9 50.299 9.867 1.739
73 HB3 ALA 9 HB3 ALA 9 50.661 11.511 1.161
74 H ILE 10 HN ILE 10 51.914 9.479 -2.449
75 HA ILE 10 HA ILE 10 50.589 9.465 -4.317
76 HB ILE 10 HB ILE 10 48.736 8.719 -2.314
77 HG12 ILE 10 HG12 ILE 10 48.286 8.888 -5.329
78 HG13 ILE 10 HG11 ILE 10 49.158 7.587 -4.488
79 HG21 ILE 10 HG21 ILE 10 47.349 10.764 -4.097
80 HG22 ILE 10 HG22 ILE 10 47.811 11.100 -2.415
81 HG23 ILE 10 HG23 ILE 10 46.639 9.820 -2.769
82 HD11 ILE 10 HD1 ILE 10 46.197 8.235 -4.444
83 HD12 ILE 10 HD2 ILE 10 46.935 7.369 -3.073
84 HD13 ILE 10 HD3 ILE 10 47.000 6.671 -4.708
85 H HIS 11 HN HIS 11 49.863 12.002 -1.925
86 HA HIS 11 HA HIS 11 50.478 14.068 -3.850
87 HB2 HIS 11 HB2 HIS 11 48.241 13.421 -4.723
88 HB3 HIS 11 HB1 HIS 11 47.537 13.761 -3.124
89 HD1 HIS 11 HD1 HIS 11 46.425 15.984 -3.113
90 HD2 HIS 11 HD2 HIS 11 49.863 15.965 -5.535
91 HE1 HIS 11 HE1 HIS 11 46.732 18.353 -4.019
92 H GLY 12 HN GLY 12 49.979 12.859 -0.790
93 HA2 GLY 12 HA1 GLY 12 50.527 13.867 1.247
94 HA3 GLY 12 HA2 GLY 12 50.690 15.431 0.426
95 H GLY 13 HN GLY 13 47.818 13.411 0.113
96 HA2 GLY 13 HA1 GLY 13 46.328 14.578 2.265
97 HA3 GLY 13 HA2 GLY 13 46.033 15.501 0.781
98 H ARG 14 HN ARG 14 46.778 12.274 0.016
99 HA ARG 14 HA ARG 14 45.356 10.617 -0.854
100 HB2 ARG 14 HB2 ARG 14 43.494 11.450 1.356
101 HB3 ARG 14 HB1 ARG 14 43.613 9.863 0.582
102 HG2 ARG 14 HG2 ARG 14 45.845 9.529 1.517
103 HG3 ARG 14 HG1 ARG 14 45.828 11.168 2.216
104 HD2 ARG 14 HD2 ARG 14 43.785 10.533 3.531
105 HD3 ARG 14 HD1 ARG 14 43.960 8.868 2.924
106 HE ARG 14 HE ARG 14 46.430 9.750 4.125
107 HH11 ARG 14 HH11 ARG 14 45.758 7.101 4.791
108 HH12 ARG 14 HH12 ARG 14 45.023 7.182 6.356
109 HH21 ARG 14 HH21 ARG 14 44.377 10.583 6.170
110 HH22 ARG 14 HH22 ARG 14 44.241 9.153 7.138
111 H PHE 15 HN PHE 15 45.152 13.512 -1.621
112 HA PHE 15 HA PHE 15 43.833 14.825 -2.988
113 HB2 PHE 15 HB2 PHE 15 42.856 12.032 -3.682
114 HB3 PHE 15 HB1 PHE 15 42.111 13.463 -4.430
115 HD1 PHE 15 HD1 PHE 15 44.785 11.101 -4.698
116 HD2 PHE 15 HD2 PHE 15 43.810 15.248 -5.408
117 HE1 PHE 15 HE1 PHE 15 46.671 11.270 -6.316
118 HE2 PHE 15 HE2 PHE 15 45.698 15.413 -7.024
119 HZ PHE 15 HZ PHE 15 47.166 13.442 -7.429
120 H ILE 16 HN ILE 16 43.059 15.795 -1.071
121 HA ILE 16 HA ILE 16 41.319 16.773 0.075
122 HB ILE 16 HB ILE 16 39.338 14.912 -1.289
123 HG12 ILE 16 HG12 ILE 16 40.438 15.918 -3.152
124 HG13 ILE 16 HG11 ILE 16 39.023 16.946 -2.877
125 HG21 ILE 16 HG21 ILE 16 39.128 17.603 0.112
126 HG22 ILE 16 HG22 ILE 16 38.379 16.061 0.571
127 HG23 ILE 16 HG23 ILE 16 37.825 16.916 -0.883
128 HD11 ILE 16 HD1 ILE 16 40.884 18.425 -3.226
129 HD12 ILE 16 HD2 ILE 16 41.915 17.512 -2.103
130 HD13 ILE 16 HD3 ILE 16 40.552 18.467 -1.483
131 H HIS 17 HN HIS 17 41.213 13.235 -0.268
132 HA HIS 17 HA HIS 17 41.706 12.414 2.276
133 HB2 HIS 17 HB2 HIS 17 38.947 13.621 2.246
134 HB3 HIS 17 HB1 HIS 17 39.121 12.087 3.116
135 HD1 HIS 17 HD1 HIS 17 38.874 15.326 4.098
136 HD2 HIS 17 HD2 HIS 17 41.962 12.524 4.638
137 HE1 HIS 17 HE1 HIS 17 40.283 16.116 6.078
138 H GLY 18 HN GLY 18 42.235 10.984 0.179
139 HA2 GLY 18 HA1 GLY 18 41.846 8.599 -0.208
140 HA3 GLY 18 HA2 GLY 18 40.128 8.825 0.157
141 H MET 19 HN MET 19 39.976 11.296 -1.271
142 HA MET 19 HA MET 19 40.516 11.882 -3.624
143 HB2 MET 19 HB2 MET 19 40.975 9.776 -4.624
144 HB3 MET 19 HB1 MET 19 39.373 9.159 -4.215
145 HG2 MET 19 HG2 MET 19 39.492 9.751 -6.593
146 HG3 MET 19 HG1 MET 19 38.360 10.840 -5.771
147 HE1 MET 19 HE1 MET 19 41.184 10.534 -8.147
148 HE2 MET 19 HE2 MET 19 42.133 10.325 -6.656
149 HE3 MET 19 HE3 MET 19 42.406 11.746 -7.692
150 H ILE 20 HN ILE 20 39.458 13.611 -3.040
151 HA ILE 20 HA ILE 20 37.622 15.031 -2.904
152 HB ILE 20 HB ILE 20 35.953 13.024 -4.489
153 HG12 ILE 20 HG12 ILE 20 38.055 14.960 -5.563
154 HG13 ILE 20 HG11 ILE 20 38.112 13.189 -5.652
155 HG21 ILE 20 HG21 ILE 20 36.058 16.060 -4.733
156 HG22 ILE 20 HG22 ILE 20 35.053 15.263 -3.502
157 HG23 ILE 20 HG23 ILE 20 34.757 14.950 -5.226
158 HD11 ILE 20 HD1 ILE 20 35.847 13.351 -6.901
159 HD12 ILE 20 HD2 ILE 20 37.305 13.861 -7.784
160 HD13 ILE 20 HD3 ILE 20 36.221 15.083 -7.080
161 H GLN 21 HN GLN 21 38.284 12.652 -1.309
162 HA GLN 21 HA GLN 21 37.448 11.976 0.812
163 HB2 GLN 21 HB2 GLN 21 35.568 13.841 0.509
164 HB3 GLN 21 HB1 GLN 21 34.559 12.469 -0.002
165 HG2 GLN 21 HG2 GLN 21 34.219 12.697 2.361
166 HG3 GLN 21 HG1 GLN 21 35.289 11.290 2.153
167 HE21 GLN 21 HE21 GLN 21 36.462 11.438 4.132
168 HE22 GLN 21 HE22 GLN 21 37.480 12.828 4.526
169 H ASN 22 HN ASN 22 38.029 10.778 -1.639
170 HA ASN 22 HA ASN 22 37.587 8.962 -2.987
171 HB2 ASN 22 HB2 ASN 22 37.241 6.835 -1.570
172 HB3 ASN 22 HB1 ASN 22 38.719 7.814 -1.331
173 HD21 ASN 22 HD21 ASN 22 35.774 6.631 0.193
174 HD22 ASN 22 HD22 ASN 22 36.033 7.423 1.750
175 H HIS 23 HN HIS 23 35.724 10.440 -3.482
176 HA HIS 23 HA HIS 23 33.071 9.349 -2.797
177 HB2 HIS 23 HB2 HIS 23 33.489 11.767 -3.284
178 HB3 HIS 23 HB1 HIS 23 33.857 11.330 -4.970
179 HD1 HIS 23 HD1 HIS 23 31.168 9.428 -3.158
180 HD2 HIS 23 HD2 HIS 23 31.434 12.706 -5.778
181 HE1 HIS 23 HE1 HIS 23 28.819 9.880 -4.054
182 H HIS 24 HN HIS 24 35.523 8.305 -4.809
183 HA HIS 24 HA HIS 24 33.995 7.552 -7.149
184 HB2 HIS 24 HB2 HIS 24 36.593 6.471 -5.990
185 HB3 HIS 24 HB1 HIS 24 35.936 6.027 -7.584
186 HD1 HIS 24 HD1 HIS 24 35.052 9.478 -6.926
187 HD2 HIS 24 HD2 HIS 24 38.455 7.492 -8.395
188 HE1 HIS 24 HE1 HIS 24 36.512 11.224 -8.087
Start of MODEL 59
1 H1 PHE 1 HT1 PHE 1 51.500 3.340 -8.793
2 H2 PHE 1 HT2 PHE 1 50.053 3.295 -7.905
3 H3 PHE 1 HT3 PHE 1 50.203 2.396 -9.339
4 HA PHE 1 HA PHE 1 50.608 1.494 -6.828
5 HB2 PHE 1 HB2 PHE 1 51.649 0.446 -9.491
6 HB3 PHE 1 HB1 PHE 1 51.511 -0.511 -7.995
7 HD1 PHE 1 HD1 PHE 1 49.306 -1.101 -7.067
8 HD2 PHE 1 HD2 PHE 1 49.661 1.148 -10.734
9 HE1 PHE 1 HE1 PHE 1 46.907 -1.547 -7.572
10 HE2 PHE 1 HE2 PHE 1 47.262 0.701 -11.239
11 HZ PHE 1 HZ PHE 1 45.863 -0.564 -9.611
12 H LEU 2 HN LEU 2 53.194 1.960 -9.291
13 HA LEU 2 HA LEU 2 55.487 2.192 -9.014
14 HB2 LEU 2 HB2 LEU 2 54.884 3.561 -6.372
15 HB3 LEU 2 HB1 LEU 2 56.185 3.908 -7.536
16 HG LEU 2 HG LEU 2 53.199 4.380 -7.952
17 HD11 LEU 2 HD11 LEU 2 55.575 6.282 -7.723
18 HD12 LEU 2 HD12 LEU 2 54.323 6.026 -6.484
19 HD13 LEU 2 HD13 LEU 2 53.892 6.760 -8.047
20 HD21 LEU 2 HD21 LEU 2 55.601 4.634 -9.811
21 HD22 LEU 2 HD22 LEU 2 54.085 5.527 -10.091
22 HD23 LEU 2 HD23 LEU 2 54.082 3.749 -10.090
23 H GLY 3 HN GLY 3 56.811 2.482 -6.349
24 HA2 GLY 3 HA1 GLY 3 56.328 -0.058 -4.968
25 HA3 GLY 3 HA2 GLY 3 57.805 -0.049 -5.952
26 H ALA 4 HN ALA 4 56.410 2.731 -4.255
27 HA ALA 4 HA ALA 4 58.182 2.504 -1.961
28 HB1 ALA 4 HB1 ALA 4 59.737 4.236 -2.441
29 HB2 ALA 4 HB2 ALA 4 58.854 4.731 -3.906
30 HB3 ALA 4 HB3 ALA 4 59.734 3.184 -3.875
31 H LEU 5 HN LEU 5 55.762 3.969 -3.888
32 HA LEU 5 HA LEU 5 54.127 5.528 -3.429
33 HB2 LEU 5 HB2 LEU 5 53.488 3.955 -1.705
34 HB3 LEU 5 HB1 LEU 5 54.748 4.562 -0.611
35 HG LEU 5 HG LEU 5 53.604 6.685 -0.344
36 HD11 LEU 5 HD11 LEU 5 51.874 5.671 -2.630
37 HD12 LEU 5 HD12 LEU 5 52.765 7.207 -2.509
38 HD13 LEU 5 HD13 LEU 5 51.304 6.950 -1.530
39 HD21 LEU 5 HD21 LEU 5 51.536 5.946 0.705
40 HD22 LEU 5 HD22 LEU 5 52.766 4.681 0.941
41 HD23 LEU 5 HD23 LEU 5 51.504 4.475 -0.297
42 H ILE 6 HN ILE 6 55.158 7.366 -4.172
43 HA ILE 6 HA ILE 6 56.164 9.213 -1.975
44 HB ILE 6 HB ILE 6 57.248 9.476 -4.827
45 HG12 ILE 6 HG12 ILE 6 57.617 7.051 -4.145
46 HG13 ILE 6 HG11 ILE 6 59.095 7.980 -4.451
47 HG21 ILE 6 HG21 ILE 6 59.250 10.317 -3.532
48 HG22 ILE 6 HG22 ILE 6 58.324 10.092 -2.032
49 HG23 ILE 6 HG23 ILE 6 57.769 11.256 -3.251
50 HD11 ILE 6 HD1 ILE 6 57.979 7.773 -1.636
51 HD12 ILE 6 HD2 ILE 6 59.640 8.127 -2.157
52 HD13 ILE 6 HD3 ILE 6 58.992 6.478 -2.309
53 H LYS 7 HN LYS 7 56.510 11.162 -4.430
54 HA LYS 7 HA LYS 7 55.168 13.011 -4.920
55 HB2 LYS 7 HB2 LYS 7 52.920 10.940 -5.146
56 HB3 LYS 7 HB1 LYS 7 52.887 12.594 -5.804
57 HG2 LYS 7 HG2 LYS 7 54.643 12.095 -7.381
58 HG3 LYS 7 HG1 LYS 7 54.974 10.527 -6.605
59 HD2 LYS 7 HD2 LYS 7 52.839 9.639 -7.309
60 HD3 LYS 7 HD1 LYS 7 52.293 11.239 -7.865
61 HE2 LYS 7 HE2 LYS 7 53.011 9.877 -9.787
62 HE3 LYS 7 HE1 LYS 7 54.121 11.250 -9.562
63 HZ1 LYS 7 HZ1 LYS 7 55.566 9.496 -9.789
64 HZ2 LYS 7 HZ2 LYS 7 54.552 8.389 -8.994
65 HZ3 LYS 7 HZ3 LYS 7 55.408 9.554 -8.101
66 H GLY 8 HN GLY 8 55.732 11.738 -2.599
67 HA2 GLY 8 HA1 GLY 8 55.272 11.321 -0.462
68 HA3 GLY 8 HA2 GLY 8 54.961 13.100 -0.437
69 H ALA 9 HN ALA 9 53.546 9.886 -0.786
70 HA ALA 9 HA ALA 9 51.424 9.083 -0.388
71 HB1 ALA 9 HB1 ALA 9 51.926 9.908 1.881
72 HB2 ALA 9 HB2 ALA 9 50.196 10.075 1.495
73 HB3 ALA 9 HB3 ALA 9 51.260 11.501 1.448
74 H ILE 10 HN ILE 10 51.540 10.320 -2.742
75 HA ILE 10 HA ILE 10 50.442 11.718 -4.271
76 HB ILE 10 HB ILE 10 47.908 11.117 -4.333
77 HG12 ILE 10 HG12 ILE 10 48.833 9.166 -2.169
78 HG13 ILE 10 HG11 ILE 10 47.785 10.570 -1.871
79 HG21 ILE 10 HG21 ILE 10 49.769 9.953 -5.617
80 HG22 ILE 10 HG22 ILE 10 48.377 8.919 -5.239
81 HG23 ILE 10 HG23 ILE 10 49.870 8.783 -4.280
82 HD11 ILE 10 HD1 ILE 10 46.240 8.808 -2.129
83 HD12 ILE 10 HD2 ILE 10 47.179 8.041 -3.428
84 HD13 ILE 10 HD3 ILE 10 46.265 9.535 -3.752
85 H HIS 11 HN HIS 11 50.993 13.744 -3.306
86 HA HIS 11 HA HIS 11 50.492 15.820 -2.388
87 HB2 HIS 11 HB2 HIS 11 47.715 15.114 -3.417
88 HB3 HIS 11 HB1 HIS 11 48.316 16.748 -3.048
89 HD1 HIS 11 HD1 HIS 11 49.165 17.982 -5.032
90 HD2 HIS 11 HD2 HIS 11 49.672 13.827 -5.439
91 HE1 HIS 11 HE1 HIS 11 50.188 17.563 -7.335
92 H GLY 12 HN GLY 12 49.849 13.192 -0.841
93 HA2 GLY 12 HA1 GLY 12 49.286 12.825 1.387
94 HA3 GLY 12 HA2 GLY 12 48.912 14.553 1.554
95 H GLY 13 HN GLY 13 47.600 11.973 -0.561
96 HA2 GLY 13 HA1 GLY 13 45.432 11.201 -0.803
97 HA3 GLY 13 HA2 GLY 13 45.127 11.722 0.868
98 H ARG 14 HN ARG 14 46.340 14.318 -0.825
99 HA ARG 14 HA ARG 14 43.634 15.522 -1.016
100 HB2 ARG 14 HB2 ARG 14 46.059 16.491 -0.155
101 HB3 ARG 14 HB1 ARG 14 46.061 17.103 -1.819
102 HG2 ARG 14 HG2 ARG 14 43.843 17.532 0.242
103 HG3 ARG 14 HG1 ARG 14 45.058 18.739 -0.239
104 HD2 ARG 14 HD2 ARG 14 42.820 17.553 -1.922
105 HD3 ARG 14 HD1 ARG 14 43.104 19.257 -1.512
106 HE ARG 14 HE ARG 14 45.382 18.345 -2.939
107 HH11 ARG 14 HH11 ARG 14 42.091 19.271 -3.271
108 HH12 ARG 14 HH12 ARG 14 42.169 19.444 -4.992
109 HH21 ARG 14 HH21 ARG 14 45.463 18.382 -5.215
110 HH22 ARG 14 HH22 ARG 14 44.078 18.940 -6.093
111 H PHE 15 HN PHE 15 46.007 14.018 -3.042
112 HA PHE 15 HA PHE 15 45.838 15.274 -5.497
113 HB2 PHE 15 HB2 PHE 15 47.094 13.199 -5.115
114 HB3 PHE 15 HB1 PHE 15 45.574 12.284 -4.990
115 HD1 PHE 15 HD1 PHE 15 44.793 11.218 -6.951
116 HD2 PHE 15 HD2 PHE 15 47.268 14.739 -7.312
117 HE1 PHE 15 HE1 PHE 15 44.760 10.988 -9.430
118 HE2 PHE 15 HE2 PHE 15 47.232 14.507 -9.792
119 HZ PHE 15 HZ PHE 15 46.039 12.591 -10.846
120 H ILE 16 HN ILE 16 43.288 13.498 -3.838
121 HA ILE 16 HA ILE 16 41.404 14.160 -6.107
122 HB ILE 16 HB ILE 16 41.014 11.939 -4.050
123 HG12 ILE 16 HG12 ILE 16 42.206 11.822 -6.857
124 HG13 ILE 16 HG11 ILE 16 43.042 11.436 -5.334
125 HG21 ILE 16 HG21 ILE 16 39.047 12.967 -5.337
126 HG22 ILE 16 HG22 ILE 16 39.264 11.213 -5.530
127 HG23 ILE 16 HG23 ILE 16 39.798 12.323 -6.815
128 HD11 ILE 16 HD1 ILE 16 41.138 9.677 -4.983
129 HD12 ILE 16 HD2 ILE 16 42.408 9.312 -6.174
130 HD13 ILE 16 HD3 ILE 16 40.821 9.899 -6.721
131 H HIS 17 HN HIS 17 40.797 13.083 -2.727
132 HA HIS 17 HA HIS 17 40.192 15.709 -1.732
133 HB2 HIS 17 HB2 HIS 17 38.273 15.525 -3.314
134 HB3 HIS 17 HB1 HIS 17 37.773 14.021 -2.505
135 HD1 HIS 17 HD1 HIS 17 39.066 15.870 0.192
136 HD2 HIS 17 HD2 HIS 17 35.594 16.329 -2.135
137 HE1 HIS 17 HE1 HIS 17 37.400 17.226 1.572
138 H GLY 18 HN GLY 18 41.739 14.232 -0.459
139 HA2 GLY 18 HA1 GLY 18 42.087 13.052 1.508
140 HA3 GLY 18 HA2 GLY 18 40.411 13.403 1.930
141 H MET 19 HN MET 19 42.061 11.554 -0.589
142 HA MET 19 HA MET 19 41.440 9.503 -1.367
143 HB2 MET 19 HB2 MET 19 41.610 8.962 1.543
144 HB3 MET 19 HB1 MET 19 41.542 7.667 0.324
145 HG2 MET 19 HG2 MET 19 43.638 9.872 0.220
146 HG3 MET 19 HG1 MET 19 43.888 8.366 1.135
147 HE1 MET 19 HE1 MET 19 45.098 6.286 -0.090
148 HE2 MET 19 HE2 MET 19 44.005 5.568 -1.297
149 HE3 MET 19 HE3 MET 19 43.359 6.138 0.261
150 H ILE 20 HN ILE 20 39.147 11.269 -0.513
151 HA ILE 20 HA ILE 20 36.837 10.981 -0.417
152 HB ILE 20 HB ILE 20 37.234 8.138 -1.469
153 HG12 ILE 20 HG12 ILE 20 38.456 9.423 -3.055
154 HG13 ILE 20 HG11 ILE 20 36.845 9.264 -3.776
155 HG21 ILE 20 HG21 ILE 20 34.989 8.509 -0.775
156 HG22 ILE 20 HG22 ILE 20 34.970 8.699 -2.541
157 HG23 ILE 20 HG23 ILE 20 34.936 10.133 -1.491
158 HD11 ILE 20 HD1 ILE 20 36.307 11.548 -2.695
159 HD12 ILE 20 HD2 ILE 20 37.453 11.561 -4.049
160 HD13 ILE 20 HD3 ILE 20 38.051 11.681 -2.379
161 H GLN 21 HN GLN 21 39.222 9.177 1.079
162 HA GLN 21 HA GLN 21 37.296 7.878 3.042
163 HB2 GLN 21 HB2 GLN 21 39.031 6.463 1.804
164 HB3 GLN 21 HB1 GLN 21 40.275 7.359 2.706
165 HG2 GLN 21 HG2 GLN 21 39.833 5.371 3.979
166 HG3 GLN 21 HG1 GLN 21 39.020 6.698 4.843
167 HE21 GLN 21 HE21 GLN 21 38.406 4.054 2.445
168 HE22 GLN 21 HE22 GLN 21 36.705 3.864 2.881
169 H ASN 22 HN ASN 22 40.286 9.884 2.729
170 HA ASN 22 HA ASN 22 40.272 10.449 5.621
171 HB2 ASN 22 HB2 ASN 22 41.889 11.424 3.228
172 HB3 ASN 22 HB1 ASN 22 42.059 12.153 4.844
173 HD21 ASN 22 HD21 ASN 22 41.772 9.825 6.481
174 HD22 ASN 22 HD22 ASN 22 43.141 8.756 6.157
175 H HIS 23 HN HIS 23 39.179 11.723 2.520
176 HA HIS 23 HA HIS 23 38.030 13.716 2.030
177 HB2 HIS 23 HB2 HIS 23 35.973 14.007 3.320
178 HB3 HIS 23 HB1 HIS 23 36.283 12.277 3.046
179 HD1 HIS 23 HD1 HIS 23 36.720 10.786 5.068
180 HD2 HIS 23 HD2 HIS 23 36.452 14.869 6.036
181 HE1 HIS 23 HE1 HIS 23 36.681 10.964 7.616
182 H HIS 24 HN HIS 24 40.431 13.943 3.923
183 HA HIS 24 HA HIS 24 39.783 16.177 5.684
184 HB2 HIS 24 HB2 HIS 24 42.414 15.024 4.682
185 HB3 HIS 24 HB1 HIS 24 42.299 16.352 5.861
186 HD1 HIS 24 HD1 HIS 24 39.478 14.729 6.897
187 HD2 HIS 24 HD2 HIS 24 43.525 13.605 7.074
188 HE1 HIS 24 HE1 HIS 24 39.694 12.941 8.709
Start of MODEL 60
1 H1 PHE 1 HT1 PHE 1 57.933 4.310 5.297
2 H2 PHE 1 HT2 PHE 1 58.989 3.684 6.471
3 H3 PHE 1 HT3 PHE 1 59.487 4.964 5.471
4 HA PHE 1 HA PHE 1 57.154 5.222 7.226
5 HB2 PHE 1 HB2 PHE 1 59.169 4.461 8.548
6 HB3 PHE 1 HB1 PHE 1 60.021 5.916 7.976
7 HD1 PHE 1 HD1 PHE 1 56.944 4.761 9.794
8 HD2 PHE 1 HD2 PHE 1 59.672 8.023 9.047
9 HE1 PHE 1 HE1 PHE 1 55.848 6.091 11.594
10 HE2 PHE 1 HE2 PHE 1 58.575 9.353 10.845
11 HZ PHE 1 HZ PHE 1 56.716 8.355 12.171
12 H LEU 2 HN LEU 2 56.721 6.343 5.025
13 HA LEU 2 HA LEU 2 57.116 9.181 5.481
14 HB2 LEU 2 HB2 LEU 2 59.328 8.238 4.381
15 HB3 LEU 2 HB1 LEU 2 58.369 8.229 2.886
16 HG LEU 2 HG LEU 2 58.836 10.643 4.701
17 HD11 LEU 2 HD11 LEU 2 60.183 11.482 2.805
18 HD12 LEU 2 HD12 LEU 2 59.869 9.977 1.907
19 HD13 LEU 2 HD13 LEU 2 60.833 9.937 3.404
20 HD21 LEU 2 HD21 LEU 2 57.818 11.821 2.603
21 HD22 LEU 2 HD22 LEU 2 56.704 10.983 3.705
22 HD23 LEU 2 HD23 LEU 2 57.189 10.210 2.176
23 H GLY 3 HN GLY 3 56.813 7.165 2.519
24 HA2 GLY 3 HA1 GLY 3 53.944 7.559 2.367
25 HA3 GLY 3 HA2 GLY 3 54.815 8.653 1.273
26 H ALA 4 HN ALA 4 56.533 5.788 1.854
27 HA ALA 4 HA ALA 4 57.066 4.028 0.445
28 HB1 ALA 4 HB1 ALA 4 54.073 4.154 -0.057
29 HB2 ALA 4 HB2 ALA 4 54.913 3.179 1.173
30 HB3 ALA 4 HB3 ALA 4 55.131 2.813 -0.555
31 H LEU 5 HN LEU 5 54.377 5.034 -1.631
32 HA LEU 5 HA LEU 5 56.167 5.152 -3.934
33 HB2 LEU 5 HB2 LEU 5 53.294 6.131 -3.809
34 HB3 LEU 5 HB1 LEU 5 54.192 5.529 -5.222
35 HG LEU 5 HG LEU 5 53.392 3.890 -2.773
36 HD11 LEU 5 HD11 LEU 5 51.514 4.466 -4.294
37 HD12 LEU 5 HD12 LEU 5 51.899 2.729 -4.367
38 HD13 LEU 5 HD13 LEU 5 52.436 3.816 -5.671
39 HD21 LEU 5 HD21 LEU 5 55.028 3.259 -5.264
40 HD22 LEU 5 HD22 LEU 5 54.183 1.981 -4.356
41 HD23 LEU 5 HD23 LEU 5 55.441 2.952 -3.560
42 H ILE 6 HN ILE 6 55.948 7.218 -1.459
43 HA ILE 6 HA ILE 6 56.223 9.539 -1.179
44 HB ILE 6 HB ILE 6 57.625 9.630 -3.896
45 HG12 ILE 6 HG12 ILE 6 58.619 8.142 -1.421
46 HG13 ILE 6 HG11 ILE 6 58.270 7.434 -3.015
47 HG21 ILE 6 HG21 ILE 6 59.068 11.167 -2.795
48 HG22 ILE 6 HG22 ILE 6 58.612 10.582 -1.177
49 HG23 ILE 6 HG23 ILE 6 57.463 11.547 -2.130
50 HD11 ILE 6 HD1 ILE 6 60.021 9.088 -3.952
51 HD12 ILE 6 HD2 ILE 6 60.637 7.732 -2.977
52 HD13 ILE 6 HD3 ILE 6 60.501 9.355 -2.259
53 H LYS 7 HN LYS 7 56.648 11.289 -3.725
54 HA LYS 7 HA LYS 7 55.178 12.883 -4.594
55 HB2 LYS 7 HB2 LYS 7 53.297 10.480 -4.900
56 HB3 LYS 7 HB1 LYS 7 53.043 12.079 -5.640
57 HG2 LYS 7 HG2 LYS 7 54.969 11.846 -7.051
58 HG3 LYS 7 HG1 LYS 7 55.555 10.433 -6.140
59 HD2 LYS 7 HD2 LYS 7 54.502 9.747 -8.281
60 HD3 LYS 7 HD1 LYS 7 53.594 9.122 -6.884
61 HE2 LYS 7 HE2 LYS 7 51.851 10.713 -7.156
62 HE3 LYS 7 HE1 LYS 7 52.845 11.762 -8.196
63 HZ1 LYS 7 HZ1 LYS 7 51.062 9.965 -9.097
64 HZ2 LYS 7 HZ2 LYS 7 52.497 9.057 -9.170
65 HZ3 LYS 7 HZ3 LYS 7 52.382 10.538 -9.995
66 H GLY 8 HN GLY 8 55.570 11.903 -2.103
67 HA2 GLY 8 HA1 GLY 8 54.883 11.625 -0.005
68 HA3 GLY 8 HA2 GLY 8 54.364 13.344 -0.207
69 H ALA 9 HN ALA 9 53.397 9.962 -0.408
70 HA ALA 9 HA ALA 9 51.385 8.907 -0.079
71 HB1 ALA 9 HB1 ALA 9 49.838 9.828 1.473
72 HB2 ALA 9 HB2 ALA 9 50.331 11.497 1.099
73 HB3 ALA 9 HB3 ALA 9 51.434 10.420 1.989
74 H ILE 10 HN ILE 10 51.451 9.143 -2.498
75 HA ILE 10 HA ILE 10 50.292 9.432 -4.461
76 HB ILE 10 HB ILE 10 48.111 9.798 -2.411
77 HG12 ILE 10 HG12 ILE 10 48.122 8.230 -5.022
78 HG13 ILE 10 HG11 ILE 10 48.898 7.622 -3.546
79 HG21 ILE 10 HG21 ILE 10 46.448 10.266 -4.326
80 HG22 ILE 10 HG22 ILE 10 47.854 10.821 -5.259
81 HG23 ILE 10 HG23 ILE 10 47.408 11.639 -3.741
82 HD11 ILE 10 HD1 ILE 10 46.778 6.652 -3.343
83 HD12 ILE 10 HD2 ILE 10 45.955 8.005 -4.142
84 HD13 ILE 10 HD3 ILE 10 46.500 8.166 -2.457
85 H HIS 11 HN HIS 11 49.072 12.179 -2.468
86 HA HIS 11 HA HIS 11 50.681 14.064 -4.081
87 HB2 HIS 11 HB2 HIS 11 48.637 13.733 -5.464
88 HB3 HIS 11 HB1 HIS 11 47.633 14.184 -4.065
89 HD1 HIS 11 HD1 HIS 11 50.902 15.812 -5.247
90 HD2 HIS 11 HD2 HIS 11 46.819 16.736 -4.836
91 HE1 HIS 11 HE1 HIS 11 50.633 18.305 -5.734
92 H GLY 12 HN GLY 12 49.471 12.936 -1.283
93 HA2 GLY 12 HA1 GLY 12 50.335 14.339 0.676
94 HA3 GLY 12 HA2 GLY 12 49.339 15.656 0.024
95 H GLY 13 HN GLY 13 47.939 12.599 -0.486
96 HA2 GLY 13 HA1 GLY 13 46.200 11.481 0.561
97 HA3 GLY 13 HA2 GLY 13 46.695 12.232 2.091
98 H ARG 14 HN ARG 14 45.106 13.051 -1.022
99 HA ARG 14 HA ARG 14 42.799 14.136 0.366
100 HB2 ARG 14 HB2 ARG 14 44.485 15.978 0.703
101 HB3 ARG 14 HB1 ARG 14 44.597 16.133 -1.064
102 HG2 ARG 14 HG2 ARG 14 43.027 17.805 -0.242
103 HG3 ARG 14 HG1 ARG 14 42.115 16.575 -1.139
104 HD2 ARG 14 HD2 ARG 14 41.128 15.701 0.805
105 HD3 ARG 14 HD1 ARG 14 42.455 16.253 1.858
106 HE ARG 14 HE ARG 14 40.101 17.798 1.113
107 HH11 ARG 14 HH11 ARG 14 40.012 19.915 1.895
108 HH12 ARG 14 HH12 ARG 14 41.443 20.648 2.541
109 HH21 ARG 14 HH21 ARG 14 43.440 17.871 1.969
110 HH22 ARG 14 HH22 ARG 14 43.384 19.489 2.583
111 H PHE 15 HN PHE 15 44.730 13.572 -2.501
112 HA PHE 15 HA PHE 15 42.832 14.402 -4.471
113 HB2 PHE 15 HB2 PHE 15 45.288 13.731 -4.800
114 HB3 PHE 15 HB1 PHE 15 44.732 12.042 -4.749
115 HD1 PHE 15 HD1 PHE 15 44.108 11.029 -6.798
116 HD2 PHE 15 HD2 PHE 15 43.863 15.323 -6.405
117 HE1 PHE 15 HE1 PHE 15 43.433 11.211 -9.188
118 HE2 PHE 15 HE2 PHE 15 43.187 15.501 -8.796
119 HZ PHE 15 HZ PHE 15 43.025 13.450 -10.201
120 H ILE 16 HN ILE 16 43.354 11.272 -2.821
121 HA ILE 16 HA ILE 16 40.518 10.590 -3.233
122 HB ILE 16 HB ILE 16 41.142 8.308 -4.224
123 HG12 ILE 16 HG12 ILE 16 43.737 9.825 -4.790
124 HG13 ILE 16 HG11 ILE 16 43.568 8.396 -3.748
125 HG21 ILE 16 HG21 ILE 16 41.042 9.111 -6.485
126 HG22 ILE 16 HG22 ILE 16 41.814 10.653 -6.049
127 HG23 ILE 16 HG23 ILE 16 40.155 10.301 -5.510
128 HD11 ILE 16 HD1 ILE 16 44.330 7.489 -5.796
129 HD12 ILE 16 HD2 ILE 16 43.319 8.583 -6.767
130 HD13 ILE 16 HD3 ILE 16 42.572 7.235 -5.875
131 H HIS 17 HN HIS 17 41.338 11.107 -0.870
132 HA HIS 17 HA HIS 17 41.446 8.472 0.470
133 HB2 HIS 17 HB2 HIS 17 43.862 9.120 0.083
134 HB3 HIS 17 HB1 HIS 17 43.572 10.567 1.077
135 HD1 HIS 17 HD1 HIS 17 44.720 10.075 3.256
136 HD2 HIS 17 HD2 HIS 17 42.479 6.800 1.867
137 HE1 HIS 17 HE1 HIS 17 44.741 8.303 5.096
138 H GLY 18 HN GLY 18 40.964 11.894 0.329
139 HA2 GLY 18 HA1 GLY 18 39.279 11.748 2.796
140 HA3 GLY 18 HA2 GLY 18 40.519 13.020 2.672
141 H MET 19 HN MET 19 38.294 11.495 0.401
142 HA MET 19 HA MET 19 36.474 13.693 0.245
143 HB2 MET 19 HB2 MET 19 36.956 14.507 -1.886
144 HB3 MET 19 HB1 MET 19 38.294 14.761 -0.774
145 HG2 MET 19 HG2 MET 19 39.412 14.017 -2.733
146 HG3 MET 19 HG1 MET 19 39.251 12.525 -1.777
147 HE1 MET 19 HE1 MET 19 36.808 13.947 -5.376
148 HE2 MET 19 HE2 MET 19 38.585 14.031 -5.350
149 HE3 MET 19 HE3 MET 19 37.635 14.909 -4.128
150 H ILE 20 HN ILE 20 38.068 10.922 -1.272
151 HA ILE 20 HA ILE 20 35.625 10.107 -2.685
152 HB ILE 20 HB ILE 20 36.745 7.714 -2.365
153 HG12 ILE 20 HG12 ILE 20 39.237 7.864 -2.116
154 HG13 ILE 20 HG11 ILE 20 39.076 9.572 -1.676
155 HG21 ILE 20 HG21 ILE 20 36.679 8.971 -4.496
156 HG22 ILE 20 HG22 ILE 20 38.233 8.128 -4.292
157 HG23 ILE 20 HG23 ILE 20 38.127 9.881 -4.006
158 HD11 ILE 20 HD1 ILE 20 37.443 7.565 -0.110
159 HD12 ILE 20 HD2 ILE 20 38.191 9.088 0.429
160 HD13 ILE 20 HD3 ILE 20 39.193 7.641 0.199
161 H GLN 21 HN GLN 21 36.725 10.674 0.353
162 HA GLN 21 HA GLN 21 34.583 9.111 1.705
163 HB2 GLN 21 HB2 GLN 21 36.894 8.302 2.259
164 HB3 GLN 21 HB1 GLN 21 37.284 9.937 2.844
165 HG2 GLN 21 HG2 GLN 21 35.513 9.808 4.526
166 HG3 GLN 21 HG1 GLN 21 34.984 8.231 3.891
167 HE21 GLN 21 HE21 GLN 21 38.388 9.351 4.328
168 HE22 GLN 21 HE22 GLN 21 38.794 8.114 5.522
169 H ASN 22 HN ASN 22 36.335 12.366 1.205
170 HA ASN 22 HA ASN 22 34.349 13.427 3.291
171 HB2 ASN 22 HB2 ASN 22 36.643 15.032 2.139
172 HB3 ASN 22 HB1 ASN 22 35.800 15.217 3.690
173 HD21 ASN 22 HD21 ASN 22 35.922 12.092 3.934
174 HD22 ASN 22 HD22 ASN 22 37.566 11.820 4.522
175 H HIS 23 HN HIS 23 34.070 12.666 0.297
176 HA HIS 23 HA HIS 23 33.019 13.551 -1.575
177 HB2 HIS 23 HB2 HIS 23 31.153 13.653 0.006
178 HB3 HIS 23 HB1 HIS 23 31.692 15.247 0.580
179 HD1 HIS 23 HD1 HIS 23 30.994 17.288 -0.752
180 HD2 HIS 23 HD2 HIS 23 30.266 13.684 -2.797
181 HE1 HIS 23 HE1 HIS 23 29.641 17.859 -2.844
182 H HIS 24 HN HIS 24 32.706 16.651 0.088
183 HA HIS 24 HA HIS 24 33.975 18.020 -2.136
184 HB2 HIS 24 HB2 HIS 24 33.648 20.047 -0.737
185 HB3 HIS 24 HB1 HIS 24 32.166 19.066 -0.850
186 HD1 HIS 24 HD1 HIS 24 31.122 18.302 1.302
187 HD2 HIS 24 HD2 HIS 24 35.084 19.618 1.814
188 HE1 HIS 24 HE1 HIS 24 31.617 18.272 3.809
Start of MODEL 61
1 H1 PHE 1 HT1 PHE 1 61.143 5.905 -11.914
2 H2 PHE 1 HT2 PHE 1 62.200 7.227 -11.766
3 H3 PHE 1 HT3 PHE 1 60.716 7.223 -10.938
4 HA PHE 1 HA PHE 1 62.278 4.934 -10.339
5 HB2 PHE 1 HB2 PHE 1 63.409 7.695 -9.732
6 HB3 PHE 1 HB1 PHE 1 63.966 6.177 -8.986
7 HD1 PHE 1 HD1 PHE 1 64.904 4.339 -10.460
8 HD2 PHE 1 HD2 PHE 1 64.125 8.319 -11.939
9 HE1 PHE 1 HE1 PHE 1 66.379 3.900 -12.420
10 HE2 PHE 1 HE2 PHE 1 65.600 7.879 -13.898
11 HZ PHE 1 HZ PHE 1 66.746 5.679 -14.126
12 H LEU 2 HN LEU 2 59.892 4.896 -9.674
13 HA LEU 2 HA LEU 2 59.120 6.573 -7.419
14 HB2 LEU 2 HB2 LEU 2 57.987 4.070 -8.714
15 HB3 LEU 2 HB1 LEU 2 57.276 4.748 -7.230
16 HG LEU 2 HG LEU 2 56.843 6.875 -8.338
17 HD11 LEU 2 HD11 LEU 2 57.311 6.970 -10.892
18 HD12 LEU 2 HD12 LEU 2 58.429 5.615 -10.611
19 HD13 LEU 2 HD13 LEU 2 58.699 7.177 -9.802
20 HD21 LEU 2 HD21 LEU 2 55.187 5.047 -8.634
21 HD22 LEU 2 HD22 LEU 2 56.030 4.526 -10.112
22 HD23 LEU 2 HD23 LEU 2 55.229 6.114 -10.057
23 H GLY 3 HN GLY 3 59.814 3.049 -7.705
24 HA2 GLY 3 HA1 GLY 3 60.910 1.651 -6.207
25 HA3 GLY 3 HA2 GLY 3 61.395 3.075 -5.267
26 H ALA 4 HN ALA 4 58.718 4.100 -4.867
27 HA ALA 4 HA ALA 4 57.092 2.049 -3.624
28 HB1 ALA 4 HB1 ALA 4 57.431 2.789 -1.273
29 HB2 ALA 4 HB2 ALA 4 58.797 3.796 -1.813
30 HB3 ALA 4 HB3 ALA 4 58.879 2.024 -1.969
31 H LEU 5 HN LEU 5 55.564 3.282 -1.906
32 HA LEU 5 HA LEU 5 54.268 5.355 -3.518
33 HB2 LEU 5 HB2 LEU 5 53.683 4.006 -0.863
34 HB3 LEU 5 HB1 LEU 5 52.726 5.403 -1.408
35 HG LEU 5 HG LEU 5 52.075 4.230 -3.447
36 HD11 LEU 5 HD11 LEU 5 52.767 1.747 -3.638
37 HD12 LEU 5 HD12 LEU 5 54.032 2.124 -2.444
38 HD13 LEU 5 HD13 LEU 5 54.015 2.956 -4.019
39 HD21 LEU 5 HD21 LEU 5 50.847 3.797 -1.270
40 HD22 LEU 5 HD22 LEU 5 51.815 2.313 -1.088
41 HD23 LEU 5 HD23 LEU 5 50.700 2.486 -2.465
42 H ILE 6 HN ILE 6 55.121 7.334 -3.597
43 HA ILE 6 HA ILE 6 55.550 8.767 -0.983
44 HB ILE 6 HB ILE 6 57.634 9.182 -3.182
45 HG12 ILE 6 HG12 ILE 6 57.686 6.928 -1.121
46 HG13 ILE 6 HG11 ILE 6 57.645 6.744 -2.890
47 HG21 ILE 6 HG21 ILE 6 57.311 10.564 -0.985
48 HG22 ILE 6 HG22 ILE 6 58.954 10.020 -1.395
49 HG23 ILE 6 HG23 ILE 6 58.010 9.151 -0.161
50 HD11 ILE 6 HD1 ILE 6 59.824 8.124 -2.930
51 HD12 ILE 6 HD2 ILE 6 59.939 6.469 -2.286
52 HD13 ILE 6 HD3 ILE 6 59.892 7.856 -1.171
53 H LYS 7 HN LYS 7 56.906 10.940 -2.693
54 HA LYS 7 HA LYS 7 55.987 12.976 -3.383
55 HB2 LYS 7 HB2 LYS 7 54.263 11.013 -4.957
56 HB3 LYS 7 HB1 LYS 7 53.916 12.758 -4.999
57 HG2 LYS 7 HG2 LYS 7 56.277 13.171 -5.732
58 HG3 LYS 7 HG1 LYS 7 56.535 11.410 -5.791
59 HD2 LYS 7 HD2 LYS 7 54.706 11.195 -7.448
60 HD3 LYS 7 HD1 LYS 7 54.448 12.956 -7.393
61 HE2 LYS 7 HE2 LYS 7 56.979 11.514 -8.297
62 HE3 LYS 7 HE1 LYS 7 55.844 12.418 -9.327
63 HZ1 LYS 7 HZ1 LYS 7 56.352 14.387 -7.876
64 HZ2 LYS 7 HZ2 LYS 7 57.635 13.858 -8.855
65 HZ3 LYS 7 HZ3 LYS 7 57.619 13.486 -7.197
66 H GLY 8 HN GLY 8 55.486 11.338 -1.288
67 HA2 GLY 8 HA1 GLY 8 54.180 10.704 0.395
68 HA3 GLY 8 HA2 GLY 8 53.956 12.487 0.581
69 H ALA 9 HN ALA 9 52.631 9.468 -0.528
70 HA ALA 9 HA ALA 9 50.563 8.861 -1.364
71 HB1 ALA 9 HB1 ALA 9 48.759 9.371 0.179
72 HB2 ALA 9 HB2 ALA 9 49.680 10.737 0.854
73 HB3 ALA 9 HB3 ALA 9 50.253 9.071 1.098
74 H ILE 10 HN ILE 10 51.645 10.866 -2.936
75 HA ILE 10 HA ILE 10 51.135 12.739 -4.240
76 HB ILE 10 HB ILE 10 48.731 12.300 -5.400
77 HG12 ILE 10 HG12 ILE 10 49.411 9.618 -4.090
78 HG13 ILE 10 HG11 ILE 10 48.036 10.649 -3.649
79 HG21 ILE 10 HG21 ILE 10 51.023 11.976 -6.426
80 HG22 ILE 10 HG22 ILE 10 49.818 10.791 -6.970
81 HG23 ILE 10 HG23 ILE 10 51.034 10.327 -5.756
82 HD11 ILE 10 HD1 ILE 10 47.035 9.135 -5.141
83 HD12 ILE 10 HD2 ILE 10 48.476 9.045 -6.177
84 HD13 ILE 10 HD3 ILE 10 47.434 10.488 -6.225
85 H HIS 11 HN HIS 11 47.700 12.306 -3.620
86 HA HIS 11 HA HIS 11 47.168 14.992 -3.127
87 HB2 HIS 11 HB2 HIS 11 45.691 12.772 -1.684
88 HB3 HIS 11 HB1 HIS 11 45.055 14.318 -2.302
89 HD1 HIS 11 HD1 HIS 11 46.731 13.987 -5.098
90 HD2 HIS 11 HD2 HIS 11 44.049 11.220 -3.418
91 HE1 HIS 11 HE1 HIS 11 45.832 12.544 -7.005
92 H GLY 12 HN GLY 12 49.016 12.873 -1.148
93 HA2 GLY 12 HA1 GLY 12 48.308 13.926 1.434
94 HA3 GLY 12 HA2 GLY 12 49.856 13.171 1.003
95 H GLY 13 HN GLY 13 49.426 15.496 -1.237
96 HA2 GLY 13 HA1 GLY 13 50.367 17.795 0.391
97 HA3 GLY 13 HA2 GLY 13 51.484 17.143 -0.828
98 H ARG 14 HN ARG 14 49.844 16.503 -2.930
99 HA ARG 14 HA ARG 14 49.495 18.972 -4.250
100 HB2 ARG 14 HB2 ARG 14 47.801 16.520 -4.813
101 HB3 ARG 14 HB1 ARG 14 48.350 17.761 -5.956
102 HG2 ARG 14 HG2 ARG 14 50.071 15.694 -4.524
103 HG3 ARG 14 HG1 ARG 14 49.742 15.799 -6.265
104 HD2 ARG 14 HD2 ARG 14 51.408 17.683 -4.552
105 HD3 ARG 14 HD1 ARG 14 51.914 16.747 -5.979
106 HE ARG 14 HE ARG 14 49.782 18.693 -6.528
107 HH11 ARG 14 HH11 ARG 14 53.005 18.899 -5.564
108 HH12 ARG 14 HH12 ARG 14 53.531 19.824 -6.931
109 HH21 ARG 14 HH21 ARG 14 50.517 19.537 -8.621
110 HH22 ARG 14 HH22 ARG 14 52.123 20.184 -8.661
111 H PHE 15 HN PHE 15 47.089 17.025 -2.462
112 HA PHE 15 HA PHE 15 44.740 18.389 -2.938
113 HB2 PHE 15 HB2 PHE 15 45.073 16.483 -1.325
114 HB3 PHE 15 HB1 PHE 15 45.696 17.661 -0.143
115 HD1 PHE 15 HD1 PHE 15 44.210 19.179 1.018
116 HD2 PHE 15 HD2 PHE 15 42.712 16.644 -2.138
117 HE1 PHE 15 HE1 PHE 15 41.874 19.753 1.665
118 HE2 PHE 15 HE2 PHE 15 40.376 17.218 -1.491
119 HZ PHE 15 HZ PHE 15 39.957 18.719 0.455
120 H ILE 16 HN ILE 16 47.595 19.640 -1.441
121 HA ILE 16 HA ILE 16 46.511 22.334 -1.484
122 HB ILE 16 HB ILE 16 45.565 21.460 0.668
123 HG12 ILE 16 HG12 ILE 16 47.671 23.643 1.024
124 HG13 ILE 16 HG11 ILE 16 46.079 23.876 0.269
125 HG21 ILE 16 HG21 ILE 16 47.857 20.086 1.058
126 HG22 ILE 16 HG22 ILE 16 46.859 20.639 2.421
127 HG23 ILE 16 HG23 ILE 16 48.302 21.560 1.952
128 HD11 ILE 16 HD1 ILE 16 45.989 24.534 2.635
129 HD12 ILE 16 HD2 ILE 16 46.598 22.933 3.121
130 HD13 ILE 16 HD3 ILE 16 44.992 23.084 2.369
131 H HIS 17 HN HIS 17 48.404 21.585 -2.993
132 HA HIS 17 HA HIS 17 50.779 22.978 -1.939
133 HB2 HIS 17 HB2 HIS 17 51.253 20.654 -1.218
134 HB3 HIS 17 HB1 HIS 17 51.025 20.092 -2.889
135 HD1 HIS 17 HD1 HIS 17 52.989 23.017 -1.328
136 HD2 HIS 17 HD2 HIS 17 53.492 19.882 -4.086
137 HE1 HIS 17 HE1 HIS 17 55.385 23.152 -2.209
138 H GLY 18 HN GLY 18 49.565 20.822 -4.576
139 HA2 GLY 18 HA1 GLY 18 51.006 22.248 -6.645
140 HA3 GLY 18 HA2 GLY 18 49.573 21.207 -6.880
141 H MET 19 HN MET 19 47.571 22.105 -5.870
142 HA MET 19 HA MET 19 47.008 24.649 -5.252
143 HB2 MET 19 HB2 MET 19 47.740 24.797 -8.020
144 HB3 MET 19 HB1 MET 19 45.982 24.980 -7.970
145 HG2 MET 19 HG2 MET 19 47.076 27.173 -7.810
146 HG3 MET 19 HG1 MET 19 46.201 26.801 -6.309
147 HE1 MET 19 HE1 MET 19 49.432 26.452 -8.222
148 HE2 MET 19 HE2 MET 19 50.711 26.950 -7.090
149 HE3 MET 19 HE3 MET 19 49.538 28.146 -7.687
150 H ILE 20 HN ILE 20 45.757 23.297 -3.980
151 HA ILE 20 HA ILE 20 43.705 22.335 -3.442
152 HB ILE 20 HB ILE 20 42.538 22.978 -6.181
153 HG12 ILE 20 HG12 ILE 20 43.457 25.122 -5.785
154 HG13 ILE 20 HG11 ILE 20 41.827 25.255 -5.108
155 HG21 ILE 20 HG21 ILE 20 40.485 23.371 -4.796
156 HG22 ILE 20 HG22 ILE 20 41.412 22.931 -3.344
157 HG23 ILE 20 HG23 ILE 20 41.143 21.732 -4.625
158 HD11 ILE 20 HD1 ILE 20 43.051 24.496 -2.852
159 HD12 ILE 20 HD2 ILE 20 43.091 26.187 -3.381
160 HD13 ILE 20 HD3 ILE 20 44.486 25.134 -3.680
161 H GLN 21 HN GLN 21 45.923 21.529 -5.383
162 HA GLN 21 HA GLN 21 46.523 19.224 -5.831
163 HB2 GLN 21 HB2 GLN 21 45.028 17.501 -6.397
164 HB3 GLN 21 HB1 GLN 21 44.093 18.423 -5.211
165 HG2 GLN 21 HG2 GLN 21 43.283 19.713 -7.497
166 HG3 GLN 21 HG1 GLN 21 43.687 18.132 -8.192
167 HE21 GLN 21 HE21 GLN 21 42.664 16.169 -7.013
168 HE22 GLN 21 HE22 GLN 21 41.034 16.401 -6.375
169 H ASN 22 HN ASN 22 46.272 21.861 -6.954
170 HA ASN 22 HA ASN 22 46.571 22.973 -8.931
171 HB2 ASN 22 HB2 ASN 22 48.590 21.714 -8.981
172 HB3 ASN 22 HB1 ASN 22 47.755 20.286 -9.663
173 HD21 ASN 22 HD21 ASN 22 48.152 23.833 -10.421
174 HD22 ASN 22 HD22 ASN 22 48.315 23.578 -12.161
175 H HIS 23 HN HIS 23 44.049 22.172 -8.431
176 HA HIS 23 HA HIS 23 42.764 20.623 -10.432
177 HB2 HIS 23 HB2 HIS 23 41.644 21.460 -8.401
178 HB3 HIS 23 HB1 HIS 23 41.743 23.123 -9.024
179 HD1 HIS 23 HD1 HIS 23 39.864 19.891 -9.378
180 HD2 HIS 23 HD2 HIS 23 40.062 23.602 -11.344
181 HE1 HIS 23 HE1 HIS 23 37.811 20.062 -10.890
182 H HIS 24 HN HIS 24 42.918 20.811 -12.564
183 HA HIS 24 HA HIS 24 43.854 23.052 -13.981
184 HB2 HIS 24 HB2 HIS 24 43.576 20.753 -14.915
185 HB3 HIS 24 HB1 HIS 24 41.815 21.015 -14.959
186 HD1 HIS 24 HD1 HIS 24 41.279 21.318 -17.394
187 HD2 HIS 24 HD2 HIS 24 44.591 23.609 -16.180
188 HE1 HIS 24 HE1 HIS 24 41.964 22.777 -19.377
Start of MODEL 62
1 H1 PHE 1 HT1 PHE 1 54.470 0.680 -11.667
2 H2 PHE 1 HT2 PHE 1 53.377 1.855 -12.228
3 H3 PHE 1 HT3 PHE 1 54.053 1.988 -10.674
4 HA PHE 1 HA PHE 1 56.120 1.774 -12.532
5 HB2 PHE 1 HB2 PHE 1 54.046 3.930 -13.104
6 HB3 PHE 1 HB1 PHE 1 55.689 3.880 -13.787
7 HD1 PHE 1 HD1 PHE 1 56.358 2.054 -15.342
8 HD2 PHE 1 HD2 PHE 1 52.312 2.417 -13.884
9 HE1 PHE 1 HE1 PHE 1 55.576 0.506 -17.129
10 HE2 PHE 1 HE2 PHE 1 51.530 0.869 -15.672
11 HZ PHE 1 HZ PHE 1 53.175 -0.153 -17.241
12 H LEU 2 HN LEU 2 54.324 3.035 -9.937
13 HA LEU 2 HA LEU 2 56.013 5.350 -9.376
14 HB2 LEU 2 HB2 LEU 2 53.933 3.780 -7.815
15 HB3 LEU 2 HB1 LEU 2 54.877 5.078 -7.048
16 HG LEU 2 HG LEU 2 54.072 6.702 -8.682
17 HD11 LEU 2 HD11 LEU 2 52.836 4.245 -9.988
18 HD12 LEU 2 HD12 LEU 2 53.907 5.469 -10.715
19 HD13 LEU 2 HD13 LEU 2 52.227 5.887 -10.311
20 HD21 LEU 2 HD21 LEU 2 52.649 6.211 -6.701
21 HD22 LEU 2 HD22 LEU 2 51.786 4.967 -7.638
22 HD23 LEU 2 HD23 LEU 2 51.666 6.679 -8.109
23 H GLY 3 HN GLY 3 57.907 5.448 -8.348
24 HA2 GLY 3 HA1 GLY 3 59.495 3.181 -7.882
25 HA3 GLY 3 HA2 GLY 3 59.761 4.771 -7.142
26 H ALA 4 HN ALA 4 57.565 5.067 -5.522
27 HA ALA 4 HA ALA 4 57.025 2.716 -3.933
28 HB1 ALA 4 HB1 ALA 4 59.372 2.951 -3.292
29 HB2 ALA 4 HB2 ALA 4 58.314 3.359 -1.920
30 HB3 ALA 4 HB3 ALA 4 59.102 4.653 -2.854
31 H LEU 5 HN LEU 5 56.601 3.811 -1.449
32 HA LEU 5 HA LEU 5 54.209 5.369 -1.952
33 HB2 LEU 5 HB2 LEU 5 54.567 3.710 -0.059
34 HB3 LEU 5 HB1 LEU 5 55.636 4.911 0.693
35 HG LEU 5 HG LEU 5 53.606 6.560 0.456
36 HD11 LEU 5 HD11 LEU 5 52.251 3.852 0.076
37 HD12 LEU 5 HD12 LEU 5 52.119 5.292 -0.961
38 HD13 LEU 5 HD13 LEU 5 51.392 5.295 0.658
39 HD21 LEU 5 HD21 LEU 5 52.672 5.769 2.611
40 HD22 LEU 5 HD22 LEU 5 54.450 5.670 2.608
41 HD23 LEU 5 HD23 LEU 5 53.476 4.198 2.384
42 H ILE 6 HN ILE 6 54.979 7.230 -3.071
43 HA ILE 6 HA ILE 6 55.823 9.386 -1.173
44 HB ILE 6 HB ILE 6 57.656 10.166 -2.661
45 HG12 ILE 6 HG12 ILE 6 57.059 7.609 -4.226
46 HG13 ILE 6 HG11 ILE 6 56.837 9.275 -4.807
47 HG21 ILE 6 HG21 ILE 6 58.049 8.477 -0.779
48 HG22 ILE 6 HG22 ILE 6 59.311 8.548 -2.029
49 HG23 ILE 6 HG23 ILE 6 58.121 7.223 -2.040
50 HD11 ILE 6 HD1 ILE 6 58.921 8.636 -5.737
51 HD12 ILE 6 HD2 ILE 6 59.425 7.787 -4.258
52 HD13 ILE 6 HD3 ILE 6 59.385 9.567 -4.293
53 H LYS 7 HN LYS 7 56.500 11.134 -3.535
54 HA LYS 7 HA LYS 7 55.199 12.796 -4.521
55 HB2 LYS 7 HB2 LYS 7 53.447 10.378 -5.201
56 HB3 LYS 7 HB1 LYS 7 53.050 12.032 -5.724
57 HG2 LYS 7 HG2 LYS 7 55.342 12.152 -6.799
58 HG3 LYS 7 HG1 LYS 7 55.535 10.420 -6.435
59 HD2 LYS 7 HD2 LYS 7 53.555 9.878 -7.772
60 HD3 LYS 7 HD1 LYS 7 53.247 11.607 -8.064
61 HE2 LYS 7 HE2 LYS 7 55.349 11.825 -9.291
62 HE3 LYS 7 HE1 LYS 7 55.788 10.145 -8.902
63 HZ1 LYS 7 HZ1 LYS 7 53.335 9.885 -10.006
64 HZ2 LYS 7 HZ2 LYS 7 54.802 9.674 -10.835
65 HZ3 LYS 7 HZ3 LYS 7 53.985 11.160 -10.914
66 H GLY 8 HN GLY 8 55.283 11.719 -2.041
67 HA2 GLY 8 HA1 GLY 8 54.385 11.427 -0.036
68 HA3 GLY 8 HA2 GLY 8 53.886 13.148 -0.257
69 H ALA 9 HN ALA 9 52.951 9.769 -0.560
70 HA ALA 9 HA ALA 9 50.899 8.726 -0.602
71 HB1 ALA 9 HB1 ALA 9 49.209 9.583 0.892
72 HB2 ALA 9 HB2 ALA 9 49.920 11.215 0.836
73 HB3 ALA 9 HB3 ALA 9 50.800 9.886 1.630
74 H ILE 10 HN ILE 10 51.159 9.290 -2.975
75 HA ILE 10 HA ILE 10 50.120 9.830 -4.957
76 HB ILE 10 HB ILE 10 47.801 9.983 -3.029
77 HG12 ILE 10 HG12 ILE 10 46.786 8.468 -4.725
78 HG13 ILE 10 HG11 ILE 10 48.219 8.688 -5.757
79 HG21 ILE 10 HG21 ILE 10 47.758 11.376 -5.727
80 HG22 ILE 10 HG22 ILE 10 47.232 12.004 -4.144
81 HG23 ILE 10 HG23 ILE 10 46.280 10.746 -4.959
82 HD11 ILE 10 HD1 ILE 10 48.302 6.596 -4.356
83 HD12 ILE 10 HD2 ILE 10 48.300 7.622 -2.901
84 HD13 ILE 10 HD3 ILE 10 49.660 7.704 -4.045
85 H HIS 11 HN HIS 11 48.838 12.320 -2.693
86 HA HIS 11 HA HIS 11 50.546 14.362 -3.992
87 HB2 HIS 11 HB2 HIS 11 48.430 14.194 -5.387
88 HB3 HIS 11 HB1 HIS 11 47.515 14.674 -3.939
89 HD1 HIS 11 HD1 HIS 11 50.738 16.321 -3.821
90 HD2 HIS 11 HD2 HIS 11 47.147 17.025 -5.891
91 HE1 HIS 11 HE1 HIS 11 50.747 18.769 -4.551
92 H GLY 12 HN GLY 12 49.143 12.899 -1.407
93 HA2 GLY 12 HA1 GLY 12 49.992 13.882 0.775
94 HA3 GLY 12 HA2 GLY 12 49.223 15.403 0.284
95 H GLY 13 HN GLY 13 47.877 12.169 -0.268
96 HA2 GLY 13 HA1 GLY 13 45.813 11.324 0.371
97 HA3 GLY 13 HA2 GLY 13 46.307 11.822 2.002
98 H ARG 14 HN ARG 14 44.870 13.041 -1.021
99 HA ARG 14 HA ARG 14 42.670 14.264 0.411
100 HB2 ARG 14 HB2 ARG 14 44.288 15.984 0.978
101 HB3 ARG 14 HB1 ARG 14 44.879 16.053 -0.696
102 HG2 ARG 14 HG2 ARG 14 43.328 17.946 -0.081
103 HG3 ARG 14 HG1 ARG 14 42.766 16.991 -1.470
104 HD2 ARG 14 HD2 ARG 14 41.085 15.908 -0.193
105 HD3 ARG 14 HD1 ARG 14 41.850 16.339 1.355
106 HE ARG 14 HE ARG 14 39.991 17.990 -0.124
107 HH11 ARG 14 HH11 ARG 14 40.690 18.027 2.866
108 HH12 ARG 14 HH12 ARG 14 41.366 19.613 3.019
109 HH21 ARG 14 HH21 ARG 14 41.794 20.050 -0.395
110 HH22 ARG 14 HH22 ARG 14 41.992 20.760 1.173
111 H PHE 15 HN PHE 15 44.670 14.739 -2.537
112 HA PHE 15 HA PHE 15 42.357 15.096 -4.244
113 HB2 PHE 15 HB2 PHE 15 45.256 14.372 -4.830
114 HB3 PHE 15 HB1 PHE 15 44.040 14.691 -6.090
115 HD1 PHE 15 HD1 PHE 15 43.341 16.937 -6.609
116 HD2 PHE 15 HD2 PHE 15 45.839 16.181 -3.170
117 HE1 PHE 15 HE1 PHE 15 43.722 19.386 -6.347
118 HE2 PHE 15 HE2 PHE 15 46.219 18.629 -2.908
119 HZ PHE 15 HZ PHE 15 45.188 20.229 -4.517
120 H ILE 16 HN ILE 16 40.902 13.561 -4.632
121 HA ILE 16 HA ILE 16 39.991 11.408 -4.662
122 HB ILE 16 HB ILE 16 40.877 10.005 -6.540
123 HG12 ILE 16 HG12 ILE 16 42.907 12.264 -6.897
124 HG13 ILE 16 HG11 ILE 16 43.306 10.679 -6.200
125 HG21 ILE 16 HG21 ILE 16 40.207 11.539 -8.276
126 HG22 ILE 16 HG22 ILE 16 40.683 12.950 -7.301
127 HG23 ILE 16 HG23 ILE 16 39.277 11.969 -6.824
128 HD11 ILE 16 HD1 ILE 16 42.292 9.680 -8.379
129 HD12 ILE 16 HD2 ILE 16 43.882 10.469 -8.490
130 HD13 ILE 16 HD3 ILE 16 42.425 11.332 -9.029
131 H HIS 17 HN HIS 17 41.450 11.539 -2.420
132 HA HIS 17 HA HIS 17 42.509 8.759 -2.207
133 HB2 HIS 17 HB2 HIS 17 44.481 10.262 -2.544
134 HB3 HIS 17 HB1 HIS 17 43.973 11.195 -1.114
135 HD1 HIS 17 HD1 HIS 17 45.828 8.169 -2.152
136 HD2 HIS 17 HD2 HIS 17 43.855 9.465 1.325
137 HE1 HIS 17 HE1 HIS 17 46.674 6.733 -0.215
138 H GLY 18 HN GLY 18 41.072 11.682 -0.885
139 HA2 GLY 18 HA1 GLY 18 40.940 11.132 1.859
140 HA3 GLY 18 HA2 GLY 18 39.619 11.886 0.916
141 H MET 19 HN MET 19 38.891 10.092 -0.758
142 HA MET 19 HA MET 19 38.419 7.490 0.140
143 HB2 MET 19 HB2 MET 19 37.103 8.834 1.935
144 HB3 MET 19 HB1 MET 19 35.979 9.174 0.608
145 HG2 MET 19 HG2 MET 19 35.431 6.853 0.350
146 HG3 MET 19 HG1 MET 19 36.809 6.335 1.349
147 HE1 MET 19 HE1 MET 19 33.974 5.329 1.574
148 HE2 MET 19 HE2 MET 19 33.499 5.419 3.286
149 HE3 MET 19 HE3 MET 19 35.104 4.793 2.841
150 H ILE 20 HN ILE 20 38.807 9.602 -2.007
151 HA ILE 20 HA ILE 20 38.152 9.805 -4.218
152 HB ILE 20 HB ILE 20 36.438 7.284 -3.949
153 HG12 ILE 20 HG12 ILE 20 38.550 6.576 -3.047
154 HG13 ILE 20 HG11 ILE 20 38.522 6.022 -4.731
155 HG21 ILE 20 HG21 ILE 20 37.268 7.056 -6.390
156 HG22 ILE 20 HG22 ILE 20 37.802 8.744 -6.242
157 HG23 ILE 20 HG23 ILE 20 36.088 8.335 -6.039
158 HD11 ILE 20 HD1 ILE 20 40.001 8.439 -3.598
159 HD12 ILE 20 HD2 ILE 20 39.832 8.125 -5.340
160 HD13 ILE 20 HD3 ILE 20 40.705 6.972 -4.311
161 H GLN 21 HN GLN 21 36.416 9.645 -1.401
162 HA GLN 21 HA GLN 21 34.089 11.160 -2.640
163 HB2 GLN 21 HB2 GLN 21 33.396 8.818 -2.185
164 HB3 GLN 21 HB1 GLN 21 33.877 9.021 -0.484
165 HG2 GLN 21 HG2 GLN 21 32.188 10.667 -0.088
166 HG3 GLN 21 HG1 GLN 21 31.882 10.888 -1.827
167 HE21 GLN 21 HE21 GLN 21 31.093 8.964 1.010
168 HE22 GLN 21 HE22 GLN 21 29.966 7.878 0.191
169 H ASN 22 HN ASN 22 36.601 10.939 -0.241
170 HA ASN 22 HA ASN 22 35.209 13.056 1.411
171 HB2 ASN 22 HB2 ASN 22 36.006 10.900 2.546
172 HB3 ASN 22 HB1 ASN 22 37.662 11.430 2.182
173 HD21 ASN 22 HD21 ASN 22 34.732 13.298 3.248
174 HD22 ASN 22 HD22 ASN 22 35.526 13.984 4.670
175 H HIS 23 HN HIS 23 37.633 12.324 -0.874
176 HA HIS 23 HA HIS 23 39.788 13.950 -0.428
177 HB2 HIS 23 HB2 HIS 23 39.600 14.527 -2.975
178 HB3 HIS 23 HB1 HIS 23 39.721 12.816 -2.500
179 HD1 HIS 23 HD1 HIS 23 38.469 12.449 -4.902
180 HD2 HIS 23 HD2 HIS 23 36.203 14.292 -1.879
181 HE1 HIS 23 HE1 HIS 23 36.009 12.241 -5.560
182 H HIS 24 HN HIS 24 37.723 15.499 -2.790
183 HA HIS 24 HA HIS 24 38.244 18.107 -1.632
184 HB2 HIS 24 HB2 HIS 24 37.960 17.750 -4.063
185 HB3 HIS 24 HB1 HIS 24 36.266 17.274 -3.793
186 HD1 HIS 24 HD1 HIS 24 38.580 20.263 -3.053
187 HD2 HIS 24 HD2 HIS 24 34.522 19.424 -3.775
188 HE1 HIS 24 HE1 HIS 24 37.354 22.500 -3.199
Start of MODEL 63
1 H1 PHE 1 HT1 PHE 1 58.058 1.527 -8.144
2 H2 PHE 1 HT2 PHE 1 57.882 0.904 -9.716
3 H3 PHE 1 HT3 PHE 1 57.942 -0.147 -8.381
4 HA PHE 1 HA PHE 1 55.743 1.187 -9.536
5 HB2 PHE 1 HB2 PHE 1 55.925 -0.801 -7.239
6 HB3 PHE 1 HB1 PHE 1 54.504 -0.469 -8.260
7 HD1 PHE 1 HD1 PHE 1 54.432 -1.202 -10.613
8 HD2 PHE 1 HD2 PHE 1 57.826 -2.081 -8.095
9 HE1 PHE 1 HE1 PHE 1 55.230 -2.880 -12.273
10 HE2 PHE 1 HE2 PHE 1 58.623 -3.760 -9.756
11 HZ PHE 1 HZ PHE 1 57.293 -4.201 -11.816
12 H LEU 2 HN LEU 2 56.596 3.375 -8.600
13 HA LEU 2 HA LEU 2 56.191 3.902 -5.798
14 HB2 LEU 2 HB2 LEU 2 55.883 5.921 -8.047
15 HB3 LEU 2 HB1 LEU 2 56.419 6.208 -6.375
16 HG LEU 2 HG LEU 2 57.913 4.631 -8.519
17 HD11 LEU 2 HD11 LEU 2 58.672 7.189 -7.044
18 HD12 LEU 2 HD12 LEU 2 57.914 7.163 -8.654
19 HD13 LEU 2 HD13 LEU 2 59.523 6.441 -8.416
20 HD21 LEU 2 HD21 LEU 2 58.410 5.042 -5.540
21 HD22 LEU 2 HD22 LEU 2 59.742 4.683 -6.666
22 HD23 LEU 2 HD23 LEU 2 58.411 3.521 -6.464
23 H GLY 3 HN GLY 3 54.504 6.378 -6.543
24 HA2 GLY 3 HA1 GLY 3 52.246 6.944 -6.659
25 HA3 GLY 3 HA2 GLY 3 51.863 5.274 -7.126
26 H ALA 4 HN ALA 4 53.791 5.845 -4.282
27 HA ALA 4 HA ALA 4 51.624 6.057 -2.392
28 HB1 ALA 4 HB1 ALA 4 52.747 3.288 -2.920
29 HB2 ALA 4 HB2 ALA 4 51.049 3.811 -3.023
30 HB3 ALA 4 HB3 ALA 4 51.862 3.730 -1.441
31 H LEU 5 HN LEU 5 54.893 4.785 -3.054
32 HA LEU 5 HA LEU 5 55.801 5.228 -0.314
33 HB2 LEU 5 HB2 LEU 5 57.588 4.963 -2.753
34 HB3 LEU 5 HB1 LEU 5 57.912 4.467 -1.075
35 HG LEU 5 HG LEU 5 55.895 3.219 -2.994
36 HD11 LEU 5 HD11 LEU 5 58.345 2.668 -3.296
37 HD12 LEU 5 HD12 LEU 5 57.337 1.265 -2.866
38 HD13 LEU 5 HD13 LEU 5 58.356 2.043 -1.629
39 HD21 LEU 5 HD21 LEU 5 56.440 2.778 -0.028
40 HD22 LEU 5 HD22 LEU 5 55.673 1.536 -1.046
41 HD23 LEU 5 HD23 LEU 5 54.884 3.114 -0.821
42 H ILE 6 HN ILE 6 55.203 7.261 -2.984
43 HA ILE 6 HA ILE 6 56.216 9.588 -1.539
44 HB ILE 6 HB ILE 6 58.324 8.446 -2.659
45 HG12 ILE 6 HG12 ILE 6 59.030 10.915 -3.507
46 HG13 ILE 6 HG11 ILE 6 57.501 11.365 -2.723
47 HG21 ILE 6 HG21 ILE 6 58.614 8.463 -4.947
48 HG22 ILE 6 HG22 ILE 6 57.683 9.953 -5.185
49 HG23 ILE 6 HG23 ILE 6 56.839 8.406 -4.953
50 HD11 ILE 6 HD1 ILE 6 58.373 10.004 -0.683
51 HD12 ILE 6 HD2 ILE 6 59.123 11.585 -1.008
52 HD13 ILE 6 HD3 ILE 6 59.959 10.088 -1.485
53 H LYS 7 HN LYS 7 56.654 11.020 -4.224
54 HA LYS 7 HA LYS 7 55.202 12.474 -5.319
55 HB2 LYS 7 HB2 LYS 7 53.487 9.940 -5.445
56 HB3 LYS 7 HB1 LYS 7 52.984 11.484 -6.171
57 HG2 LYS 7 HG2 LYS 7 54.851 11.491 -7.683
58 HG3 LYS 7 HG1 LYS 7 55.641 10.149 -6.820
59 HD2 LYS 7 HD2 LYS 7 54.545 9.369 -8.911
60 HD3 LYS 7 HD1 LYS 7 53.811 8.627 -7.470
61 HE2 LYS 7 HE2 LYS 7 51.870 9.983 -7.613
62 HE3 LYS 7 HE1 LYS 7 52.668 11.177 -8.668
63 HZ1 LYS 7 HZ1 LYS 7 51.231 8.847 -9.384
64 HZ2 LYS 7 HZ2 LYS 7 52.826 8.721 -9.957
65 HZ3 LYS 7 HZ3 LYS 7 51.868 10.057 -10.387
66 H GLY 8 HN GLY 8 55.557 11.796 -2.724
67 HA2 GLY 8 HA1 GLY 8 54.839 11.776 -0.621
68 HA3 GLY 8 HA2 GLY 8 54.300 13.448 -1.044
69 H ALA 9 HN ALA 9 53.387 10.050 -0.811
70 HA ALA 9 HA ALA 9 51.355 9.016 -0.512
71 HB1 ALA 9 HB1 ALA 9 49.681 10.293 0.889
72 HB2 ALA 9 HB2 ALA 9 50.788 11.686 0.813
73 HB3 ALA 9 HB3 ALA 9 51.312 10.172 1.589
74 H ILE 10 HN ILE 10 51.612 9.745 -3.045
75 HA ILE 10 HA ILE 10 50.379 10.018 -4.958
76 HB ILE 10 HB ILE 10 48.312 9.441 -2.966
77 HG12 ILE 10 HG12 ILE 10 48.224 9.167 -6.004
78 HG13 ILE 10 HG11 ILE 10 49.069 8.036 -4.925
79 HG21 ILE 10 HG21 ILE 10 46.347 10.453 -4.062
80 HG22 ILE 10 HG22 ILE 10 47.413 11.354 -5.164
81 HG23 ILE 10 HG23 ILE 10 47.426 11.706 -3.417
82 HD11 ILE 10 HD1 ILE 10 46.689 7.931 -3.696
83 HD12 ILE 10 HD2 ILE 10 47.002 6.956 -5.149
84 HD13 ILE 10 HD3 ILE 10 46.096 8.480 -5.283
85 H HIS 11 HN HIS 11 49.860 12.363 -2.364
86 HA HIS 11 HA HIS 11 50.611 14.559 -4.061
87 HB2 HIS 11 HB2 HIS 11 48.342 14.226 -5.000
88 HB3 HIS 11 HB1 HIS 11 47.647 14.356 -3.367
89 HD1 HIS 11 HD1 HIS 11 50.214 16.463 -5.333
90 HD2 HIS 11 HD2 HIS 11 46.733 16.926 -3.017
91 HE1 HIS 11 HE1 HIS 11 49.694 18.963 -5.230
92 H GLY 12 HN GLY 12 49.464 13.095 -1.182
93 HA2 GLY 12 HA1 GLY 12 50.862 14.302 0.735
94 HA3 GLY 12 HA2 GLY 12 49.678 15.590 0.426
95 H GLY 13 HN GLY 13 48.828 12.224 -0.012
96 HA2 GLY 13 HA1 GLY 13 47.214 10.951 1.051
97 HA3 GLY 13 HA2 GLY 13 47.936 11.543 2.563
98 H ARG 14 HN ARG 14 45.799 12.676 -0.097
99 HA ARG 14 HA ARG 14 43.726 13.401 1.838
100 HB2 ARG 14 HB2 ARG 14 45.681 15.291 1.639
101 HB3 ARG 14 HB1 ARG 14 44.660 15.811 0.285
102 HG2 ARG 14 HG2 ARG 14 43.750 15.396 3.175
103 HG3 ARG 14 HG1 ARG 14 44.005 16.963 2.371
104 HD2 ARG 14 HD2 ARG 14 41.863 14.884 1.826
105 HD3 ARG 14 HD1 ARG 14 41.663 16.604 2.225
106 HE ARG 14 HE ARG 14 42.152 15.517 -0.438
107 HH11 ARG 14 HH11 ARG 14 44.020 17.067 -1.301
108 HH12 ARG 14 HH12 ARG 14 43.517 18.724 -1.260
109 HH21 ARG 14 HH21 ARG 14 40.874 18.144 0.910
110 HH22 ARG 14 HH22 ARG 14 41.736 19.334 -0.007
111 H PHE 15 HN PHE 15 45.065 13.425 -1.439
112 HA PHE 15 HA PHE 15 42.973 14.315 -3.007
113 HB2 PHE 15 HB2 PHE 15 45.177 13.270 -3.760
114 HB3 PHE 15 HB1 PHE 15 44.390 11.686 -3.568
115 HD1 PHE 15 HD1 PHE 15 44.491 14.817 -5.528
116 HD2 PHE 15 HD2 PHE 15 42.514 11.016 -5.021
117 HE1 PHE 15 HE1 PHE 15 43.421 15.076 -7.764
118 HE2 PHE 15 HE2 PHE 15 41.444 11.272 -7.257
119 HZ PHE 15 HZ PHE 15 41.844 13.335 -8.597
120 H ILE 16 HN ILE 16 42.927 11.609 -0.849
121 HA ILE 16 HA ILE 16 40.182 10.852 -1.853
122 HB ILE 16 HB ILE 16 42.137 8.967 -0.463
123 HG12 ILE 16 HG12 ILE 16 41.552 9.356 -3.434
124 HG13 ILE 16 HG11 ILE 16 43.103 9.646 -2.616
125 HG21 ILE 16 HG21 ILE 16 39.699 8.348 -2.179
126 HG22 ILE 16 HG22 ILE 16 39.591 8.575 -0.418
127 HG23 ILE 16 HG23 ILE 16 40.578 7.255 -1.085
128 HD11 ILE 16 HD1 ILE 16 41.706 7.002 -3.143
129 HD12 ILE 16 HD2 ILE 16 42.964 7.150 -1.891
130 HD13 ILE 16 HD3 ILE 16 43.354 7.495 -3.591
131 H HIS 17 HN HIS 17 42.093 9.925 1.047
132 HA HIS 17 HA HIS 17 40.674 11.718 2.814
133 HB2 HIS 17 HB2 HIS 17 38.777 10.208 2.263
134 HB3 HIS 17 HB1 HIS 17 39.728 8.825 2.851
135 HD1 HIS 17 HD1 HIS 17 40.507 11.767 4.848
136 HD2 HIS 17 HD2 HIS 17 37.401 8.932 4.826
137 HE1 HIS 17 HE1 HIS 17 39.373 11.862 7.135
138 H GLY 18 HN GLY 18 43.316 11.179 2.454
139 HA2 GLY 18 HA1 GLY 18 44.872 11.138 4.398
140 HA3 GLY 18 HA2 GLY 18 44.063 9.649 4.938
141 H MET 19 HN MET 19 43.674 8.501 2.464
142 HA MET 19 HA MET 19 45.287 8.127 0.530
143 HB2 MET 19 HB2 MET 19 47.432 8.356 1.458
144 HB3 MET 19 HB1 MET 19 47.041 7.341 2.846
145 HG2 MET 19 HG2 MET 19 47.090 5.336 1.492
146 HG3 MET 19 HG1 MET 19 47.145 6.293 -0.007
147 HE1 MET 19 HE1 MET 19 48.916 5.925 3.474
148 HE2 MET 19 HE2 MET 19 50.499 5.309 2.940
149 HE3 MET 19 HE3 MET 19 49.017 4.390 2.578
150 H ILE 20 HN ILE 20 43.501 7.188 -0.148
151 HA ILE 20 HA ILE 20 42.063 5.410 -0.557
152 HB ILE 20 HB ILE 20 44.065 3.512 0.757
153 HG12 ILE 20 HG12 ILE 20 44.174 4.677 -2.067
154 HG13 ILE 20 HG11 ILE 20 45.347 4.982 -0.768
155 HG21 ILE 20 HG21 ILE 20 43.119 1.874 -0.694
156 HG22 ILE 20 HG22 ILE 20 42.384 3.104 -1.753
157 HG23 ILE 20 HG23 ILE 20 41.719 2.810 -0.133
158 HD11 ILE 20 HD1 ILE 20 45.661 2.409 -0.689
159 HD12 ILE 20 HD2 ILE 20 46.350 3.275 -2.081
160 HD13 ILE 20 HD3 ILE 20 44.817 2.392 -2.256
161 H GLN 21 HN GLN 21 42.503 6.976 1.891
162 HA GLN 21 HA GLN 21 41.149 7.220 3.815
163 HB2 GLN 21 HB2 GLN 21 39.699 5.199 2.864
164 HB3 GLN 21 HB1 GLN 21 40.643 4.222 4.012
165 HG2 GLN 21 HG2 GLN 21 39.938 5.684 5.869
166 HG3 GLN 21 HG1 GLN 21 39.028 6.709 4.734
167 HE21 GLN 21 HE21 GLN 21 39.091 3.537 6.364
168 HE22 GLN 21 HE22 GLN 21 37.439 3.093 5.922
169 H ASN 22 HN ASN 22 43.843 6.742 3.236
170 HA ASN 22 HA ASN 22 45.838 6.072 4.140
171 HB2 ASN 22 HB2 ASN 22 46.025 6.613 6.626
172 HB3 ASN 22 HB1 ASN 22 45.519 7.927 5.524
173 HD21 ASN 22 HD21 ASN 22 44.522 5.871 8.221
174 HD22 ASN 22 HD22 ASN 22 42.924 6.598 8.425
175 H HIS 23 HN HIS 23 44.862 4.008 3.343
176 HA HIS 23 HA HIS 23 44.421 2.007 5.504
177 HB2 HIS 23 HB2 HIS 23 43.179 1.891 3.354
178 HB3 HIS 23 HB1 HIS 23 44.719 1.642 2.496
179 HD1 HIS 23 HD1 HIS 23 42.087 -0.120 4.426
180 HD2 HIS 23 HD2 HIS 23 46.095 -0.838 3.374
181 HE1 HIS 23 HE1 HIS 23 42.530 -2.613 4.769
182 H HIS 24 HN HIS 24 45.975 0.914 6.495
183 HA HIS 24 HA HIS 24 48.742 1.284 5.913
184 HB2 HIS 24 HB2 HIS 24 47.291 -0.911 7.441
185 HB3 HIS 24 HB1 HIS 24 49.060 -0.715 7.418
186 HD1 HIS 24 HD1 HIS 24 50.054 1.503 8.478
187 HD2 HIS 24 HD2 HIS 24 45.925 0.951 9.061
188 HE1 HIS 24 HE1 HIS 24 49.322 3.121 10.315
Start of MODEL 64
1 H1 PHE 1 HT1 PHE 1 65.772 2.562 3.159
2 H2 PHE 1 HT2 PHE 1 66.446 1.801 1.797
3 H3 PHE 1 HT3 PHE 1 65.188 1.051 2.659
4 HA PHE 1 HA PHE 1 64.988 3.587 1.164
5 HB2 PHE 1 HB2 PHE 1 63.899 0.814 0.537
6 HB3 PHE 1 HB1 PHE 1 63.619 2.291 -0.415
7 HD1 PHE 1 HD1 PHE 1 65.324 3.181 -1.885
8 HD2 PHE 1 HD2 PHE 1 66.199 -0.156 0.709
9 HE1 PHE 1 HE1 PHE 1 67.460 2.791 -3.106
10 HE2 PHE 1 HE2 PHE 1 68.335 -0.545 -0.513
11 HZ PHE 1 HZ PHE 1 68.921 0.873 -2.475
12 H LEU 2 HN LEU 2 62.894 4.487 1.091
13 HA LEU 2 HA LEU 2 61.400 4.113 3.574
14 HB2 LEU 2 HB2 LEU 2 61.047 5.836 1.098
15 HB3 LEU 2 HB1 LEU 2 59.811 5.786 2.376
16 HG LEU 2 HG LEU 2 61.428 6.534 4.045
17 HD11 LEU 2 HD11 LEU 2 63.759 7.252 3.150
18 HD12 LEU 2 HD12 LEU 2 63.406 6.202 1.756
19 HD13 LEU 2 HD13 LEU 2 63.479 5.513 3.395
20 HD21 LEU 2 HD21 LEU 2 61.711 8.221 1.516
21 HD22 LEU 2 HD22 LEU 2 61.839 8.788 3.200
22 HD23 LEU 2 HD23 LEU 2 60.275 8.220 2.568
23 H GLY 3 HN GLY 3 61.184 2.991 0.256
24 HA2 GLY 3 HA1 GLY 3 59.769 1.447 -0.721
25 HA3 GLY 3 HA2 GLY 3 59.334 0.922 0.919
26 H ALA 4 HN ALA 4 58.752 4.184 0.773
27 HA ALA 4 HA ALA 4 55.868 3.767 0.717
28 HB1 ALA 4 HB1 ALA 4 57.567 6.283 0.773
29 HB2 ALA 4 HB2 ALA 4 56.831 5.456 2.168
30 HB3 ALA 4 HB3 ALA 4 55.797 6.250 0.955
31 H LEU 5 HN LEU 5 54.425 5.142 -0.657
32 HA LEU 5 HA LEU 5 55.070 4.638 -3.459
33 HB2 LEU 5 HB2 LEU 5 52.739 5.916 -1.990
34 HB3 LEU 5 HB1 LEU 5 52.828 5.922 -3.767
35 HG LEU 5 HG LEU 5 52.912 3.487 -3.829
36 HD11 LEU 5 HD11 LEU 5 53.115 3.765 -0.805
37 HD12 LEU 5 HD12 LEU 5 54.196 2.884 -1.913
38 HD13 LEU 5 HD13 LEU 5 52.569 2.254 -1.572
39 HD21 LEU 5 HD21 LEU 5 50.685 4.571 -3.664
40 HD22 LEU 5 HD22 LEU 5 50.770 4.470 -1.889
41 HD23 LEU 5 HD23 LEU 5 50.686 2.983 -2.863
42 H ILE 6 HN ILE 6 56.202 6.905 -1.414
43 HA ILE 6 HA ILE 6 56.760 9.188 -1.561
44 HB ILE 6 HB ILE 6 58.424 7.581 -2.992
45 HG12 ILE 6 HG12 ILE 6 58.562 10.633 -3.019
46 HG13 ILE 6 HG11 ILE 6 59.100 9.567 -1.703
47 HG21 ILE 6 HG21 ILE 6 56.911 8.206 -5.120
48 HG22 ILE 6 HG22 ILE 6 58.666 7.997 -5.263
49 HG23 ILE 6 HG23 ILE 6 57.976 9.629 -5.169
50 HD11 ILE 6 HD1 ILE 6 61.067 10.107 -2.964
51 HD12 ILE 6 HD2 ILE 6 60.248 9.788 -4.512
52 HD13 ILE 6 HD3 ILE 6 60.636 8.440 -3.415
53 H LYS 7 HN LYS 7 57.161 10.761 -4.030
54 HA LYS 7 HA LYS 7 55.828 12.438 -4.949
55 HB2 LYS 7 HB2 LYS 7 54.839 10.410 -6.274
56 HB3 LYS 7 HB1 LYS 7 53.530 10.426 -5.068
57 HG2 LYS 7 HG2 LYS 7 53.037 12.789 -5.632
58 HG3 LYS 7 HG1 LYS 7 54.341 12.771 -6.843
59 HD2 LYS 7 HD2 LYS 7 53.160 10.846 -7.980
60 HD3 LYS 7 HD1 LYS 7 51.803 11.083 -6.852
61 HE2 LYS 7 HE2 LYS 7 51.477 13.372 -7.654
62 HE3 LYS 7 HE1 LYS 7 52.912 13.243 -8.698
63 HZ1 LYS 7 HZ1 LYS 7 51.711 11.257 -9.717
64 HZ2 LYS 7 HZ2 LYS 7 51.115 12.803 -10.096
65 HZ3 LYS 7 HZ3 LYS 7 50.314 11.839 -8.948
66 H GLY 8 HN GLY 8 56.223 11.480 -2.449
67 HA2 GLY 8 HA1 GLY 8 55.635 11.361 -0.317
68 HA3 GLY 8 HA2 GLY 8 55.195 13.092 -0.566
69 H ALA 9 HN ALA 9 54.058 9.758 -0.513
70 HA ALA 9 HA ALA 9 51.979 8.840 -0.140
71 HB1 ALA 9 HB1 ALA 9 50.532 9.970 1.464
72 HB2 ALA 9 HB2 ALA 9 51.403 11.502 1.208
73 HB3 ALA 9 HB3 ALA 9 52.229 10.124 1.975
74 H ILE 10 HN ILE 10 52.238 9.689 -2.656
75 HA ILE 10 HA ILE 10 51.179 10.703 -4.485
76 HB ILE 10 HB ILE 10 48.740 9.892 -4.683
77 HG12 ILE 10 HG12 ILE 10 49.469 8.461 -2.081
78 HG13 ILE 10 HG11 ILE 10 48.342 9.832 -2.184
79 HG21 ILE 10 HG21 ILE 10 50.787 7.760 -3.931
80 HG22 ILE 10 HG22 ILE 10 50.802 8.636 -5.480
81 HG23 ILE 10 HG23 ILE 10 49.424 7.598 -5.063
82 HD11 ILE 10 HD1 ILE 10 48.023 7.020 -3.274
83 HD12 ILE 10 HD2 ILE 10 47.097 8.368 -3.977
84 HD13 ILE 10 HD3 ILE 10 46.909 7.958 -2.257
85 H HIS 11 HN HIS 11 51.576 12.868 -3.555
86 HA HIS 11 HA HIS 11 50.871 14.993 -2.955
87 HB2 HIS 11 HB2 HIS 11 49.909 14.587 -5.282
88 HB3 HIS 11 HB1 HIS 11 48.354 14.254 -4.489
89 HD1 HIS 11 HD1 HIS 11 49.508 16.604 -2.242
90 HD2 HIS 11 HD2 HIS 11 48.521 16.984 -6.308
91 HE1 HIS 11 HE1 HIS 11 48.934 19.058 -2.660
92 H GLY 12 HN GLY 12 50.065 12.691 -1.193
93 HA2 GLY 12 HA1 GLY 12 48.620 12.266 0.587
94 HA3 GLY 12 HA2 GLY 12 48.843 14.000 0.885
95 H GLY 13 HN GLY 13 46.723 11.495 -0.310
96 HA2 GLY 13 HA1 GLY 13 44.510 11.575 -1.032
97 HA3 GLY 13 HA2 GLY 13 44.329 12.695 0.332
98 H ARG 14 HN ARG 14 45.237 12.517 -3.117
99 HA ARG 14 HA ARG 14 43.531 14.733 -3.805
100 HB2 ARG 14 HB2 ARG 14 45.138 16.159 -2.731
101 HB3 ARG 14 HB1 ARG 14 46.501 15.296 -3.471
102 HG2 ARG 14 HG2 ARG 14 45.948 17.532 -4.542
103 HG3 ARG 14 HG1 ARG 14 45.954 16.158 -5.669
104 HD2 ARG 14 HD2 ARG 14 43.581 16.086 -5.773
105 HD3 ARG 14 HD1 ARG 14 43.396 17.074 -4.304
106 HE ARG 14 HE ARG 14 43.917 18.079 -7.022
107 HH11 ARG 14 HH11 ARG 14 42.175 19.151 -4.656
108 HH12 ARG 14 HH12 ARG 14 42.994 20.644 -4.344
109 HH21 ARG 14 HH21 ARG 14 45.806 19.793 -6.184
110 HH22 ARG 14 HH22 ARG 14 45.051 21.008 -5.207
111 H PHE 15 HN PHE 15 46.751 13.424 -4.749
112 HA PHE 15 HA PHE 15 46.102 13.452 -7.572
113 HB2 PHE 15 HB2 PHE 15 48.427 13.482 -6.766
114 HB3 PHE 15 HB1 PHE 15 48.208 11.878 -6.028
115 HD1 PHE 15 HD1 PHE 15 48.834 9.984 -7.302
116 HD2 PHE 15 HD2 PHE 15 47.738 13.632 -9.340
117 HE1 PHE 15 HE1 PHE 15 49.395 8.933 -9.490
118 HE2 PHE 15 HE2 PHE 15 48.301 12.578 -11.525
119 HZ PHE 15 HZ PHE 15 49.208 10.258 -11.591
120 H ILE 16 HN ILE 16 44.299 12.360 -8.167
121 HA ILE 16 HA ILE 16 42.715 10.630 -8.172
122 HB ILE 16 HB ILE 16 43.756 8.430 -9.050
123 HG12 ILE 16 HG12 ILE 16 46.261 10.180 -9.117
124 HG13 ILE 16 HG11 ILE 16 46.014 8.820 -8.000
125 HG21 ILE 16 HG21 ILE 16 44.136 9.370 -11.250
126 HG22 ILE 16 HG22 ILE 16 44.528 10.963 -10.562
127 HG23 ILE 16 HG23 ILE 16 42.865 10.337 -10.474
128 HD11 ILE 16 HD1 ILE 16 45.559 7.425 -10.188
129 HD12 ILE 16 HD2 ILE 16 47.236 7.830 -9.757
130 HD13 ILE 16 HD3 ILE 16 46.390 8.768 -11.008
131 H HIS 17 HN HIS 17 42.544 10.956 -5.782
132 HA HIS 17 HA HIS 17 42.785 8.291 -4.493
133 HB2 HIS 17 HB2 HIS 17 44.963 9.412 -3.992
134 HB3 HIS 17 HB1 HIS 17 44.065 10.748 -3.232
135 HD1 HIS 17 HD1 HIS 17 45.009 7.114 -2.782
136 HD2 HIS 17 HD2 HIS 17 42.732 10.022 -0.778
137 HE1 HIS 17 HE1 HIS 17 44.554 6.237 -0.425
138 H GLY 18 HN GLY 18 42.106 11.795 -3.851
139 HA2 GLY 18 HA1 GLY 18 40.173 11.364 -1.812
140 HA3 GLY 18 HA2 GLY 18 40.176 12.745 -2.944
141 H MET 19 HN MET 19 39.791 11.900 -5.241
142 HA MET 19 HA MET 19 38.343 9.929 -6.136
143 HB2 MET 19 HB2 MET 19 36.511 11.314 -4.281
144 HB3 MET 19 HB1 MET 19 35.827 11.063 -5.899
145 HG2 MET 19 HG2 MET 19 35.977 8.713 -5.730
146 HG3 MET 19 HG1 MET 19 37.179 8.782 -4.420
147 HE1 MET 19 HE1 MET 19 35.801 7.065 -2.855
148 HE2 MET 19 HE2 MET 19 34.900 6.910 -4.382
149 HE3 MET 19 HE3 MET 19 34.021 7.103 -2.846
150 H ILE 20 HN ILE 20 39.779 10.834 -7.586
151 HA ILE 20 HA ILE 20 40.176 12.023 -9.539
152 HB ILE 20 HB ILE 20 37.252 12.895 -9.630
153 HG12 ILE 20 HG12 ILE 20 38.420 10.170 -10.378
154 HG13 ILE 20 HG11 ILE 20 37.165 10.492 -9.163
155 HG21 ILE 20 HG21 ILE 20 39.080 12.006 -11.903
156 HG22 ILE 20 HG22 ILE 20 39.081 13.678 -11.304
157 HG23 ILE 20 HG23 ILE 20 37.598 12.986 -11.994
158 HD11 ILE 20 HD1 ILE 20 35.957 9.757 -11.071
159 HD12 ILE 20 HD2 ILE 20 36.963 10.713 -12.184
160 HD13 ILE 20 HD3 ILE 20 35.799 11.528 -11.113
161 H GLN 21 HN GLN 21 39.725 12.884 -6.692
162 HA GLN 21 HA GLN 21 40.559 14.860 -5.623
163 HB2 GLN 21 HB2 GLN 21 41.121 15.917 -7.943
164 HB3 GLN 21 HB1 GLN 21 39.468 16.576 -7.907
165 HG2 GLN 21 HG2 GLN 21 39.894 17.867 -5.950
166 HG3 GLN 21 HG1 GLN 21 41.407 17.007 -5.606
167 HE21 GLN 21 HE21 GLN 21 40.897 19.973 -6.126
168 HE22 GLN 21 HE22 GLN 21 41.974 20.365 -7.469
169 H ASN 22 HN ASN 22 38.264 13.280 -5.670
170 HA ASN 22 HA ASN 22 36.007 13.269 -5.175
171 HB2 ASN 22 HB2 ASN 22 37.011 13.620 -3.031
172 HB3 ASN 22 HB1 ASN 22 37.046 15.392 -3.288
173 HD21 ASN 22 HD21 ASN 22 34.485 12.856 -3.834
174 HD22 ASN 22 HD22 ASN 22 33.252 13.708 -2.899
175 H HIS 23 HN HIS 23 36.219 14.265 -7.456
176 HA HIS 23 HA HIS 23 35.172 15.659 -9.003
177 HB2 HIS 23 HB2 HIS 23 33.146 14.754 -7.918
178 HB3 HIS 23 HB1 HIS 23 33.189 16.076 -6.728
179 HD1 HIS 23 HD1 HIS 23 33.183 15.703 -10.565
180 HD2 HIS 23 HD2 HIS 23 31.623 18.185 -7.551
181 HE1 HIS 23 HE1 HIS 23 31.770 17.497 -11.711
182 H HIS 24 HN HIS 24 33.536 17.848 -6.991
183 HA HIS 24 HA HIS 24 35.116 20.070 -7.908
184 HB2 HIS 24 HB2 HIS 24 33.751 21.373 -6.247
185 HB3 HIS 24 HB1 HIS 24 32.776 20.374 -7.352
186 HD1 HIS 24 HD1 HIS 24 34.428 18.174 -4.992
187 HD2 HIS 24 HD2 HIS 24 30.940 20.522 -4.954
188 HE1 HIS 24 HE1 HIS 24 32.970 17.342 -3.066
Start of MODEL 65
1 H1 PHE 1 HT1 PHE 1 61.964 1.827 -0.448
2 H2 PHE 1 HT2 PHE 1 60.361 1.263 -0.467
3 H3 PHE 1 HT3 PHE 1 61.198 1.411 1.004
4 HA PHE 1 HA PHE 1 61.423 3.857 0.359
5 HB2 PHE 1 HB2 PHE 1 58.925 3.058 -1.181
6 HB3 PHE 1 HB1 PHE 1 59.626 4.688 -1.032
7 HD1 PHE 1 HD1 PHE 1 61.653 5.312 -2.251
8 HD2 PHE 1 HD2 PHE 1 60.019 1.329 -2.557
9 HE1 PHE 1 HE1 PHE 1 63.117 4.863 -4.215
10 HE2 PHE 1 HE2 PHE 1 61.485 0.879 -4.522
11 HZ PHE 1 HZ PHE 1 63.066 2.631 -5.323
12 H LEU 2 HN LEU 2 59.297 5.269 0.951
13 HA LEU 2 HA LEU 2 58.600 4.373 3.612
14 HB2 LEU 2 HB2 LEU 2 57.176 6.546 2.039
15 HB3 LEU 2 HB1 LEU 2 57.400 6.420 3.800
16 HG LEU 2 HG LEU 2 59.588 6.893 1.727
17 HD11 LEU 2 HD11 LEU 2 58.536 8.670 3.971
18 HD12 LEU 2 HD12 LEU 2 58.074 8.830 2.260
19 HD13 LEU 2 HD13 LEU 2 59.763 9.099 2.755
20 HD21 LEU 2 HD21 LEU 2 60.960 7.281 3.899
21 HD22 LEU 2 HD22 LEU 2 60.602 5.596 3.457
22 HD23 LEU 2 HD23 LEU 2 59.657 6.402 4.733
23 H GLY 3 HN GLY 3 55.954 5.035 3.952
24 HA2 GLY 3 HA1 GLY 3 54.680 2.581 3.049
25 HA3 GLY 3 HA2 GLY 3 53.943 3.870 4.021
26 H ALA 4 HN ALA 4 55.501 4.741 1.038
27 HA ALA 4 HA ALA 4 53.200 4.401 -0.681
28 HB1 ALA 4 HB1 ALA 4 52.474 6.705 -0.858
29 HB2 ALA 4 HB2 ALA 4 53.701 7.223 0.324
30 HB3 ALA 4 HB3 ALA 4 52.345 6.191 0.840
31 H LEU 5 HN LEU 5 53.523 5.345 -2.807
32 HA LEU 5 HA LEU 5 56.372 5.333 -3.514
33 HB2 LEU 5 HB2 LEU 5 53.771 5.602 -5.061
34 HB3 LEU 5 HB1 LEU 5 55.347 5.830 -5.854
35 HG LEU 5 HG LEU 5 56.054 3.576 -5.150
36 HD11 LEU 5 HD11 LEU 5 54.164 2.069 -4.194
37 HD12 LEU 5 HD12 LEU 5 53.346 3.589 -3.762
38 HD13 LEU 5 HD13 LEU 5 54.945 3.208 -3.077
39 HD21 LEU 5 HD21 LEU 5 54.503 2.285 -6.571
40 HD22 LEU 5 HD22 LEU 5 54.819 3.882 -7.293
41 HD23 LEU 5 HD23 LEU 5 53.286 3.578 -6.440
42 H ILE 6 HN ILE 6 56.354 7.338 -1.841
43 HA ILE 6 HA ILE 6 56.525 9.668 -1.536
44 HB ILE 6 HB ILE 6 57.554 9.962 -4.393
45 HG12 ILE 6 HG12 ILE 6 58.288 7.649 -3.740
46 HG13 ILE 6 HG11 ILE 6 59.633 8.784 -3.945
47 HG21 ILE 6 HG21 ILE 6 58.575 10.774 -1.630
48 HG22 ILE 6 HG22 ILE 6 57.827 11.825 -2.851
49 HG23 ILE 6 HG23 ILE 6 59.426 11.108 -3.155
50 HD11 ILE 6 HD1 ILE 6 60.036 8.937 -1.622
51 HD12 ILE 6 HD2 ILE 6 59.639 7.219 -1.851
52 HD13 ILE 6 HD3 ILE 6 58.418 8.331 -1.199
53 H LYS 7 HN LYS 7 56.545 11.512 -4.038
54 HA LYS 7 HA LYS 7 54.914 13.058 -4.659
55 HB2 LYS 7 HB2 LYS 7 52.952 10.712 -4.711
56 HB3 LYS 7 HB1 LYS 7 52.811 12.249 -5.599
57 HG2 LYS 7 HG2 LYS 7 54.848 11.676 -6.901
58 HG3 LYS 7 HG1 LYS 7 54.962 10.128 -6.029
59 HD2 LYS 7 HD2 LYS 7 52.763 9.446 -6.898
60 HD3 LYS 7 HD1 LYS 7 52.585 11.014 -7.723
61 HE2 LYS 7 HE2 LYS 7 54.544 10.542 -9.123
62 HE3 LYS 7 HE1 LYS 7 54.828 9.016 -8.252
63 HZ1 LYS 7 HZ1 LYS 7 52.182 9.453 -9.438
64 HZ2 LYS 7 HZ2 LYS 7 53.064 8.013 -9.246
65 HZ3 LYS 7 HZ3 LYS 7 53.465 9.100 -10.489
66 H GLY 8 HN GLY 8 55.668 12.015 -2.277
67 HA2 GLY 8 HA1 GLY 8 55.286 11.660 -0.115
68 HA3 GLY 8 HA2 GLY 8 54.700 13.368 -0.192
69 H ALA 9 HN ALA 9 53.763 9.980 -0.514
70 HA ALA 9 HA ALA 9 51.883 8.842 0.130
71 HB1 ALA 9 HB1 ALA 9 50.522 9.650 1.878
72 HB2 ALA 9 HB2 ALA 9 50.768 11.350 1.417
73 HB3 ALA 9 HB3 ALA 9 52.092 10.432 2.169
74 H ILE 10 HN ILE 10 51.663 9.019 -2.257
75 HA ILE 10 HA ILE 10 50.286 9.217 -4.090
76 HB ILE 10 HB ILE 10 48.311 9.668 -1.840
77 HG12 ILE 10 HG12 ILE 10 47.164 7.788 -2.969
78 HG13 ILE 10 HG11 ILE 10 48.356 7.853 -4.288
79 HG21 ILE 10 HG21 ILE 10 47.424 11.382 -3.215
80 HG22 ILE 10 HG22 ILE 10 46.473 9.942 -3.644
81 HG23 ILE 10 HG23 ILE 10 47.786 10.490 -4.712
82 HD11 ILE 10 HD1 ILE 10 50.152 7.229 -2.810
83 HD12 ILE 10 HD2 ILE 10 48.812 6.108 -2.477
84 HD13 ILE 10 HD3 ILE 10 49.135 7.465 -1.370
85 H HIS 11 HN HIS 11 49.178 11.986 -2.084
86 HA HIS 11 HA HIS 11 50.649 13.880 -3.777
87 HB2 HIS 11 HB2 HIS 11 48.583 13.324 -5.136
88 HB3 HIS 11 HB1 HIS 11 47.603 13.966 -3.795
89 HD1 HIS 11 HD1 HIS 11 50.781 15.233 -5.580
90 HD2 HIS 11 HD2 HIS 11 46.997 16.592 -4.347
91 HE1 HIS 11 HE1 HIS 11 50.594 17.688 -6.262
92 H GLY 12 HN GLY 12 49.647 12.787 -0.965
93 HA2 GLY 12 HA1 GLY 12 50.129 13.986 1.077
94 HA3 GLY 12 HA2 GLY 12 49.659 15.512 0.301
95 H GLY 13 HN GLY 13 47.988 12.350 0.369
96 HA2 GLY 13 HA1 GLY 13 45.792 11.872 0.940
97 HA3 GLY 13 HA2 GLY 13 46.161 12.788 2.414
98 H ARG 14 HN ARG 14 45.119 13.158 -0.987
99 HA ARG 14 HA ARG 14 42.993 14.975 -0.168
100 HB2 ARG 14 HB2 ARG 14 45.349 16.280 -0.353
101 HB3 ARG 14 HB1 ARG 14 44.929 16.298 -2.079
102 HG2 ARG 14 HG2 ARG 14 43.260 17.392 0.235
103 HG3 ARG 14 HG1 ARG 14 44.070 18.331 -1.039
104 HD2 ARG 14 HD2 ARG 14 42.606 16.918 -2.695
105 HD3 ARG 14 HD1 ARG 14 41.622 16.557 -1.254
106 HE ARG 14 HE ARG 14 42.139 19.408 -1.549
107 HH11 ARG 14 HH11 ARG 14 39.593 17.982 -0.608
108 HH12 ARG 14 HH12 ARG 14 38.499 18.391 -1.888
109 HH21 ARG 14 HH21 ARG 14 41.003 19.408 -4.061
110 HH22 ARG 14 HH22 ARG 14 39.298 19.198 -3.843
111 H PHE 15 HN PHE 15 45.016 13.533 -2.696
112 HA PHE 15 HA PHE 15 43.146 13.981 -4.859
113 HB2 PHE 15 HB2 PHE 15 45.534 13.468 -5.241
114 HB3 PHE 15 HB1 PHE 15 45.297 11.849 -4.539
115 HD1 PHE 15 HD1 PHE 15 44.595 14.050 -7.431
116 HD2 PHE 15 HD2 PHE 15 44.005 10.129 -5.729
117 HE1 PHE 15 HE1 PHE 15 43.822 13.206 -9.644
118 HE2 PHE 15 HE2 PHE 15 43.230 9.284 -7.941
119 HZ PHE 15 HZ PHE 15 43.053 10.847 -9.874
120 H ILE 16 HN ILE 16 43.383 11.697 -2.251
121 HA ILE 16 HA ILE 16 40.754 10.646 -2.826
122 HB ILE 16 HB ILE 16 42.018 9.351 -4.514
123 HG12 ILE 16 HG12 ILE 16 41.114 7.642 -2.150
124 HG13 ILE 16 HG11 ILE 16 40.032 8.392 -3.344
125 HG21 ILE 16 HG21 ILE 16 43.913 8.073 -4.069
126 HG22 ILE 16 HG22 ILE 16 43.471 7.782 -2.375
127 HG23 ILE 16 HG23 ILE 16 44.155 9.352 -2.858
128 HD11 ILE 16 HD1 ILE 16 40.397 6.123 -4.067
129 HD12 ILE 16 HD2 ILE 16 42.155 6.267 -3.834
130 HD13 ILE 16 HD3 ILE 16 41.355 7.163 -5.147
131 H HIS 17 HN HIS 17 40.925 11.763 -0.735
132 HA HIS 17 HA HIS 17 40.893 9.844 1.407
133 HB2 HIS 17 HB2 HIS 17 43.369 10.032 1.189
134 HB3 HIS 17 HB1 HIS 17 43.240 11.792 1.423
135 HD1 HIS 17 HD1 HIS 17 41.122 9.272 3.328
136 HD2 HIS 17 HD2 HIS 17 44.393 11.830 3.998
137 HE1 HIS 17 HE1 HIS 17 41.566 9.297 5.845
138 H GLY 18 HN GLY 18 40.871 13.018 0.053
139 HA2 GLY 18 HA1 GLY 18 38.860 13.883 2.038
140 HA3 GLY 18 HA2 GLY 18 40.356 14.838 1.982
141 H MET 19 HN MET 19 38.249 13.266 -0.439
142 HA MET 19 HA MET 19 37.241 15.701 -1.614
143 HB2 MET 19 HB2 MET 19 39.587 15.842 -2.225
144 HB3 MET 19 HB1 MET 19 39.436 14.280 -3.015
145 HG2 MET 19 HG2 MET 19 37.788 15.186 -4.593
146 HG3 MET 19 HG1 MET 19 37.800 16.745 -3.736
147 HE1 MET 19 HE1 MET 19 38.051 17.077 -6.561
148 HE2 MET 19 HE2 MET 19 39.540 18.016 -6.826
149 HE3 MET 19 HE3 MET 19 38.478 18.399 -5.450
150 H ILE 20 HN ILE 20 38.583 12.608 -2.901
151 HA ILE 20 HA ILE 20 36.063 11.980 -4.247
152 HB ILE 20 HB ILE 20 38.186 10.012 -3.256
153 HG12 ILE 20 HG12 ILE 20 39.453 11.506 -4.597
154 HG13 ILE 20 HG11 ILE 20 39.010 10.216 -5.728
155 HG21 ILE 20 HG21 ILE 20 35.990 9.886 -5.362
156 HG22 ILE 20 HG22 ILE 20 36.181 8.878 -3.913
157 HG23 ILE 20 HG23 ILE 20 37.310 8.698 -5.272
158 HD11 ILE 20 HD1 ILE 20 38.615 12.283 -6.883
159 HD12 ILE 20 HD2 ILE 20 37.791 12.998 -5.476
160 HD13 ILE 20 HD3 ILE 20 37.009 11.697 -6.401
161 H GLN 21 HN GLN 21 37.151 12.422 -1.213
162 HA GLN 21 HA GLN 21 34.960 10.859 0.076
163 HB2 GLN 21 HB2 GLN 21 37.583 11.774 1.333
164 HB3 GLN 21 HB1 GLN 21 36.334 10.737 2.064
165 HG2 GLN 21 HG2 GLN 21 36.745 9.076 0.188
166 HG3 GLN 21 HG1 GLN 21 38.141 10.070 -0.296
167 HE21 GLN 21 HE21 GLN 21 38.835 7.535 0.418
168 HE22 GLN 21 HE22 GLN 21 39.525 7.502 2.044
169 H ASN 22 HN ASN 22 36.716 13.995 -0.555
170 HA ASN 22 HA ASN 22 34.606 15.271 1.283
171 HB2 ASN 22 HB2 ASN 22 37.155 15.486 1.859
172 HB3 ASN 22 HB1 ASN 22 37.185 16.659 0.527
173 HD21 ASN 22 HD21 ASN 22 36.590 16.318 3.873
174 HD22 ASN 22 HD22 ASN 22 35.710 17.833 4.110
175 H HIS 23 HN HIS 23 34.309 14.555 -1.607
176 HA HIS 23 HA HIS 23 34.541 17.018 -3.119
177 HB2 HIS 23 HB2 HIS 23 34.420 14.817 -4.220
178 HB3 HIS 23 HB1 HIS 23 32.779 14.573 -3.576
179 HD1 HIS 23 HD1 HIS 23 31.021 15.090 -5.256
180 HD2 HIS 23 HD2 HIS 23 34.451 17.460 -5.803
181 HE1 HIS 23 HE1 HIS 23 30.567 16.643 -7.232
182 H HIS 24 HN HIS 24 33.633 18.543 -1.585
183 HA HIS 24 HA HIS 24 31.022 18.475 -0.549
184 HB2 HIS 24 HB2 HIS 24 32.784 20.207 -0.070
185 HB3 HIS 24 HB1 HIS 24 32.422 20.942 -1.651
186 HD1 HIS 24 HD1 HIS 24 29.688 19.419 0.475
187 HD2 HIS 24 HD2 HIS 24 31.146 23.226 -0.554
188 HE1 HIS 24 HE1 HIS 24 28.003 21.136 1.333
Start of MODEL 66
1 H1 PHE 1 HT1 PHE 1 61.145 11.988 -9.694
2 H2 PHE 1 HT2 PHE 1 60.422 10.756 -10.614
3 H3 PHE 1 HT3 PHE 1 61.936 11.381 -11.064
4 HA PHE 1 HA PHE 1 62.443 9.385 -10.082
5 HB2 PHE 1 HB2 PHE 1 63.751 11.345 -9.233
6 HB3 PHE 1 HB1 PHE 1 62.618 11.462 -7.864
7 HD1 PHE 1 HD1 PHE 1 62.579 9.764 -6.101
8 HD2 PHE 1 HD2 PHE 1 65.296 9.441 -9.438
9 HE1 PHE 1 HE1 PHE 1 63.860 8.004 -4.887
10 HE2 PHE 1 HE2 PHE 1 66.578 7.682 -8.225
11 HZ PHE 1 HZ PHE 1 65.846 6.946 -5.959
12 H LEU 2 HN LEU 2 61.672 7.621 -9.103
13 HA LEU 2 HA LEU 2 60.012 7.812 -6.706
14 HB2 LEU 2 HB2 LEU 2 58.029 6.687 -7.694
15 HB3 LEU 2 HB1 LEU 2 58.268 8.331 -8.315
16 HG LEU 2 HG LEU 2 59.464 5.985 -9.847
17 HD11 LEU 2 HD11 LEU 2 56.565 6.917 -10.036
18 HD12 LEU 2 HD12 LEU 2 57.115 5.339 -9.424
19 HD13 LEU 2 HD13 LEU 2 57.361 5.765 -11.134
20 HD21 LEU 2 HD21 LEU 2 60.050 8.185 -10.692
21 HD22 LEU 2 HD22 LEU 2 58.363 8.738 -10.597
22 HD23 LEU 2 HD23 LEU 2 58.834 7.510 -11.793
23 H GLY 3 HN GLY 3 59.016 5.498 -6.279
24 HA2 GLY 3 HA1 GLY 3 60.266 3.209 -7.408
25 HA3 GLY 3 HA2 GLY 3 61.247 3.738 -6.027
26 H ALA 4 HN ALA 4 58.440 4.845 -5.047
27 HA ALA 4 HA ALA 4 56.949 2.442 -4.416
28 HB1 ALA 4 HB1 ALA 4 59.018 2.183 -2.976
29 HB2 ALA 4 HB2 ALA 4 57.472 2.199 -2.093
30 HB3 ALA 4 HB3 ALA 4 58.504 3.649 -2.109
31 H LEU 5 HN LEU 5 56.165 3.469 -1.748
32 HA LEU 5 HA LEU 5 54.144 5.354 -2.698
33 HB2 LEU 5 HB2 LEU 5 54.846 4.140 -0.004
34 HB3 LEU 5 HB1 LEU 5 53.612 5.411 -0.146
35 HG LEU 5 HG LEU 5 52.409 4.003 -1.840
36 HD11 LEU 5 HD11 LEU 5 54.117 2.613 -2.762
37 HD12 LEU 5 HD12 LEU 5 53.108 1.508 -1.802
38 HD13 LEU 5 HD13 LEU 5 54.666 2.076 -1.157
39 HD21 LEU 5 HD21 LEU 5 51.479 2.448 -0.208
40 HD22 LEU 5 HD22 LEU 5 51.888 3.966 0.628
41 HD23 LEU 5 HD23 LEU 5 52.953 2.547 0.785
42 H ILE 6 HN ILE 6 55.035 7.258 -3.357
43 HA ILE 6 HA ILE 6 56.037 9.032 -1.150
44 HB ILE 6 HB ILE 6 57.570 9.081 -3.798
45 HG12 ILE 6 HG12 ILE 6 58.132 7.200 -1.457
46 HG13 ILE 6 HG11 ILE 6 57.714 6.725 -3.121
47 HG21 ILE 6 HG21 ILE 6 59.226 10.194 -2.511
48 HG22 ILE 6 HG22 ILE 6 58.601 9.550 -0.973
49 HG23 ILE 6 HG23 ILE 6 57.699 10.812 -1.841
50 HD11 ILE 6 HD1 ILE 6 60.092 6.534 -2.989
51 HD12 ILE 6 HD2 ILE 6 60.248 8.089 -2.137
52 HD13 ILE 6 HD3 ILE 6 59.795 8.058 -3.860
53 H LYS 7 HN LYS 7 56.928 10.894 -3.467
54 HA LYS 7 HA LYS 7 55.835 12.807 -4.239
55 HB2 LYS 7 HB2 LYS 7 53.410 11.030 -4.793
56 HB3 LYS 7 HB1 LYS 7 53.843 12.554 -5.607
57 HG2 LYS 7 HG2 LYS 7 55.932 11.428 -6.465
58 HG3 LYS 7 HG1 LYS 7 55.331 9.899 -5.781
59 HD2 LYS 7 HD2 LYS 7 53.294 10.065 -7.174
60 HD3 LYS 7 HD1 LYS 7 53.880 11.603 -7.853
61 HE2 LYS 7 HE2 LYS 7 55.948 10.370 -8.646
62 HE3 LYS 7 HE1 LYS 7 55.165 8.855 -8.138
63 HZ1 LYS 7 HZ1 LYS 7 54.169 10.793 -10.165
64 HZ2 LYS 7 HZ2 LYS 7 53.278 9.462 -9.600
65 HZ3 LYS 7 HZ3 LYS 7 54.729 9.218 -10.448
66 H GLY 8 HN GLY 8 55.897 11.547 -1.845
67 HA2 GLY 8 HA1 GLY 8 55.050 11.214 0.188
68 HA3 GLY 8 HA2 GLY 8 54.888 13.011 0.141
69 H ALA 9 HN ALA 9 53.259 9.988 -0.750
70 HA ALA 9 HA ALA 9 51.088 9.294 -0.483
71 HB1 ALA 9 HB1 ALA 9 51.302 10.693 1.710
72 HB2 ALA 9 HB2 ALA 9 49.676 10.279 1.118
73 HB3 ALA 9 HB3 ALA 9 50.332 11.909 0.849
74 H ILE 10 HN ILE 10 51.382 9.684 -2.850
75 HA ILE 10 HA ILE 10 50.794 10.716 -4.855
76 HB ILE 10 HB ILE 10 48.148 10.966 -4.980
77 HG12 ILE 10 HG12 ILE 10 48.525 9.488 -2.328
78 HG13 ILE 10 HG11 ILE 10 47.802 11.103 -2.521
79 HG21 ILE 10 HG21 ILE 10 49.369 8.258 -4.276
80 HG22 ILE 10 HG22 ILE 10 49.543 9.048 -5.862
81 HG23 ILE 10 HG23 ILE 10 47.937 8.558 -5.289
82 HD11 ILE 10 HD1 ILE 10 46.192 9.817 -4.221
83 HD12 ILE 10 HD2 ILE 10 45.882 9.759 -2.472
84 HD13 ILE 10 HD3 ILE 10 46.688 8.395 -3.279
85 H HIS 11 HN HIS 11 47.983 12.455 -3.968
86 HA HIS 11 HA HIS 11 49.469 14.985 -4.469
87 HB2 HIS 11 HB2 HIS 11 47.242 14.419 -5.564
88 HB3 HIS 11 HB1 HIS 11 46.491 14.629 -3.963
89 HD1 HIS 11 HD1 HIS 11 45.360 16.859 -3.988
90 HD2 HIS 11 HD2 HIS 11 49.202 17.003 -5.697
91 HE1 HIS 11 HE1 HIS 11 45.844 19.299 -4.572
92 H GLY 12 HN GLY 12 50.012 13.580 -2.005
93 HA2 GLY 12 HA1 GLY 12 50.461 14.310 0.165
94 HA3 GLY 12 HA2 GLY 12 49.583 15.815 -0.169
95 H GLY 13 HN GLY 13 48.174 12.654 -0.763
96 HA2 GLY 13 HA1 GLY 13 46.457 11.527 0.307
97 HA3 GLY 13 HA2 GLY 13 46.868 12.400 1.798
98 H ARG 14 HN ARG 14 45.865 13.619 -1.408
99 HA ARG 14 HA ARG 14 43.345 14.681 -0.143
100 HB2 ARG 14 HB2 ARG 14 45.286 16.194 -1.934
101 HB3 ARG 14 HB1 ARG 14 43.681 16.781 -1.443
102 HG2 ARG 14 HG2 ARG 14 45.899 16.003 0.506
103 HG3 ARG 14 HG1 ARG 14 45.579 17.667 -0.022
104 HD2 ARG 14 HD2 ARG 14 43.092 17.118 0.798
105 HD3 ARG 14 HD1 ARG 14 43.925 15.886 1.777
106 HE ARG 14 HE ARG 14 45.285 18.390 2.073
107 HH11 ARG 14 HH11 ARG 14 45.153 17.682 4.583
108 HH12 ARG 14 HH12 ARG 14 43.643 18.182 5.264
109 HH21 ARG 14 HH21 ARG 14 42.105 18.648 2.191
110 HH22 ARG 14 HH22 ARG 14 41.917 18.727 3.911
111 H PHE 15 HN PHE 15 45.113 13.543 -3.014
112 HA PHE 15 HA PHE 15 43.134 14.042 -4.970
113 HB2 PHE 15 HB2 PHE 15 45.481 12.900 -5.188
114 HB3 PHE 15 HB1 PHE 15 44.607 11.390 -4.878
115 HD1 PHE 15 HD1 PHE 15 43.557 10.268 -6.689
116 HD2 PHE 15 HD2 PHE 15 44.487 14.469 -7.046
117 HE1 PHE 15 HE1 PHE 15 42.834 10.227 -9.072
118 HE2 PHE 15 HE2 PHE 15 43.762 14.427 -9.428
119 HZ PHE 15 HZ PHE 15 42.962 12.300 -10.450
120 H ILE 16 HN ILE 16 43.449 11.231 -2.771
121 HA ILE 16 HA ILE 16 40.526 10.930 -2.710
122 HB ILE 16 HB ILE 16 40.672 8.462 -3.364
123 HG12 ILE 16 HG12 ILE 16 43.354 9.420 -4.481
124 HG13 ILE 16 HG11 ILE 16 43.128 8.191 -3.223
125 HG21 ILE 16 HG21 ILE 16 41.415 10.322 -5.660
126 HG22 ILE 16 HG22 ILE 16 39.831 10.401 -4.854
127 HG23 ILE 16 HG23 ILE 16 40.329 8.914 -5.688
128 HD11 ILE 16 HD1 ILE 16 41.681 6.935 -4.995
129 HD12 ILE 16 HD2 ILE 16 43.450 6.918 -5.192
130 HD13 ILE 16 HD3 ILE 16 42.458 8.018 -6.175
131 H HIS 17 HN HIS 17 41.510 11.654 -0.577
132 HA HIS 17 HA HIS 17 41.443 9.372 1.216
133 HB2 HIS 17 HB2 HIS 17 43.813 9.215 0.374
134 HB3 HIS 17 HB1 HIS 17 44.104 10.841 1.036
135 HD1 HIS 17 HD1 HIS 17 42.595 7.530 2.317
136 HD2 HIS 17 HD2 HIS 17 45.063 10.681 3.611
137 HE1 HIS 17 HE1 HIS 17 43.318 6.999 4.710
138 H GLY 18 HN GLY 18 41.543 12.650 0.372
139 HA2 GLY 18 HA1 GLY 18 40.561 13.423 3.077
140 HA3 GLY 18 HA2 GLY 18 41.940 14.314 2.392
141 H MET 19 HN MET 19 38.964 12.937 1.008
142 HA MET 19 HA MET 19 37.598 15.430 0.511
143 HB2 MET 19 HB2 MET 19 39.477 15.715 -0.960
144 HB3 MET 19 HB1 MET 19 39.121 14.159 -1.692
145 HG2 MET 19 HG2 MET 19 37.021 14.969 -2.591
146 HG3 MET 19 HG1 MET 19 37.150 16.475 -1.653
147 HE1 MET 19 HE1 MET 19 38.071 18.739 -2.935
148 HE2 MET 19 HE2 MET 19 39.821 18.531 -3.188
149 HE3 MET 19 HE3 MET 19 39.060 17.936 -1.693
150 H ILE 20 HN ILE 20 38.362 12.371 -1.266
151 HA ILE 20 HA ILE 20 35.480 11.827 -1.621
152 HB ILE 20 HB ILE 20 37.836 9.870 -1.709
153 HG12 ILE 20 HG12 ILE 20 38.337 11.496 -3.382
154 HG13 ILE 20 HG11 ILE 20 37.553 10.174 -4.265
155 HG21 ILE 20 HG21 ILE 20 36.149 8.639 -3.261
156 HG22 ILE 20 HG22 ILE 20 34.922 9.720 -2.563
157 HG23 ILE 20 HG23 ILE 20 35.835 8.617 -1.514
158 HD11 ILE 20 HD1 ILE 20 36.550 12.166 -5.106
159 HD12 ILE 20 HD2 ILE 20 36.398 12.876 -3.483
160 HD13 ILE 20 HD3 ILE 20 35.354 11.520 -3.964
161 H GLN 21 HN GLN 21 37.650 12.138 0.759
162 HA GLN 21 HA GLN 21 36.106 10.496 2.709
163 HB2 GLN 21 HB2 GLN 21 39.087 10.933 2.369
164 HB3 GLN 21 HB1 GLN 21 38.423 10.732 4.007
165 HG2 GLN 21 HG2 GLN 21 39.180 8.568 3.011
166 HG3 GLN 21 HG1 GLN 21 37.439 8.574 3.380
167 HE21 GLN 21 HE21 GLN 21 39.727 9.254 0.641
168 HE22 GLN 21 HE22 GLN 21 38.622 8.669 -0.604
169 H ASN 22 HN ASN 22 37.566 13.658 1.602
170 HA ASN 22 HA ASN 22 36.447 14.800 4.235
171 HB2 ASN 22 HB2 ASN 22 38.990 15.051 3.690
172 HB3 ASN 22 HB1 ASN 22 38.457 16.266 2.511
173 HD21 ASN 22 HD21 ASN 22 38.251 15.403 6.016
174 HD22 ASN 22 HD22 ASN 22 38.015 17.069 6.554
175 H HIS 23 HN HIS 23 35.055 14.199 1.615
176 HA HIS 23 HA HIS 23 33.582 15.274 0.173
177 HB2 HIS 23 HB2 HIS 23 33.376 17.131 2.576
178 HB3 HIS 23 HB1 HIS 23 32.212 17.054 1.231
179 HD1 HIS 23 HD1 HIS 23 33.485 13.713 1.811
180 HD2 HIS 23 HD2 HIS 23 30.588 16.129 3.668
181 HE1 HIS 23 HE1 HIS 23 31.948 12.168 3.145
182 H HIS 24 HN HIS 24 32.861 17.692 -0.551
183 HA HIS 24 HA HIS 24 34.987 18.673 -2.116
184 HB2 HIS 24 HB2 HIS 24 33.583 20.702 -2.418
185 HB3 HIS 24 HB1 HIS 24 32.640 19.202 -2.578
186 HD1 HIS 24 HD1 HIS 24 33.041 22.278 -0.479
187 HD2 HIS 24 HD2 HIS 24 30.941 18.638 -0.294
188 HE1 HIS 24 HE1 HIS 24 31.273 22.511 1.353
Start of MODEL 67
1 H1 PHE 1 HT1 PHE 1 53.307 1.557 -12.635
2 H2 PHE 1 HT2 PHE 1 54.777 1.960 -11.884
3 H3 PHE 1 HT3 PHE 1 53.331 2.695 -11.380
4 HA PHE 1 HA PHE 1 52.513 0.426 -10.802
5 HB2 PHE 1 HB2 PHE 1 55.496 -0.159 -10.970
6 HB3 PHE 1 HB1 PHE 1 54.217 -1.275 -10.436
7 HD1 PHE 1 HD1 PHE 1 52.642 -2.261 -12.038
8 HD2 PHE 1 HD2 PHE 1 55.742 0.444 -13.338
9 HE1 PHE 1 HE1 PHE 1 52.254 -2.954 -14.401
10 HE2 PHE 1 HE2 PHE 1 55.355 -0.248 -15.701
11 HZ PHE 1 HZ PHE 1 53.676 -2.015 -16.219
12 H LEU 2 HN LEU 2 54.262 3.100 -10.080
13 HA LEU 2 HA LEU 2 54.924 4.112 -8.099
14 HB2 LEU 2 HB2 LEU 2 52.716 2.242 -7.179
15 HB3 LEU 2 HB1 LEU 2 53.557 3.306 -6.028
16 HG LEU 2 HG LEU 2 52.907 5.284 -7.303
17 HD11 LEU 2 HD11 LEU 2 52.973 4.569 -9.577
18 HD12 LEU 2 HD12 LEU 2 51.256 4.911 -9.264
19 HD13 LEU 2 HD13 LEU 2 51.841 3.229 -9.277
20 HD21 LEU 2 HD21 LEU 2 51.288 4.393 -5.658
21 HD22 LEU 2 HD22 LEU 2 50.565 3.362 -6.918
22 HD23 LEU 2 HD23 LEU 2 50.439 5.134 -7.035
23 H GLY 3 HN GLY 3 54.177 1.250 -6.229
24 HA2 GLY 3 HA1 GLY 3 55.558 -0.056 -4.907
25 HA3 GLY 3 HA2 GLY 3 56.570 -0.189 -6.359
26 H ALA 4 HN ALA 4 55.788 2.549 -4.179
27 HA ALA 4 HA ALA 4 58.487 2.575 -3.057
28 HB1 ALA 4 HB1 ALA 4 57.699 4.802 -4.969
29 HB2 ALA 4 HB2 ALA 4 58.899 3.533 -5.313
30 HB3 ALA 4 HB3 ALA 4 59.193 4.707 -4.008
31 H LEU 5 HN LEU 5 55.248 3.734 -3.428
32 HA LEU 5 HA LEU 5 53.910 5.059 -2.081
33 HB2 LEU 5 HB2 LEU 5 54.806 3.081 -0.560
34 HB3 LEU 5 HB1 LEU 5 55.686 4.373 0.282
35 HG LEU 5 HG LEU 5 52.669 4.266 -0.193
36 HD11 LEU 5 HD11 LEU 5 54.322 4.010 2.360
37 HD12 LEU 5 HD12 LEU 5 53.535 2.661 1.507
38 HD13 LEU 5 HD13 LEU 5 52.548 3.945 2.245
39 HD21 LEU 5 HD21 LEU 5 53.258 6.577 -0.177
40 HD22 LEU 5 HD22 LEU 5 54.508 6.341 1.068
41 HD23 LEU 5 HD23 LEU 5 52.786 6.235 1.502
42 H ILE 6 HN ILE 6 54.572 7.019 -3.093
43 HA ILE 6 HA ILE 6 55.550 8.987 -1.188
44 HB ILE 6 HB ILE 6 57.691 7.682 -2.123
45 HG12 ILE 6 HG12 ILE 6 57.571 10.737 -2.125
46 HG13 ILE 6 HG11 ILE 6 57.747 9.701 -0.694
47 HG21 ILE 6 HG21 ILE 6 57.749 9.725 -4.336
48 HG22 ILE 6 HG22 ILE 6 56.744 8.282 -4.597
49 HG23 ILE 6 HG23 ILE 6 58.477 8.109 -4.252
50 HD11 ILE 6 HD1 ILE 6 59.826 8.722 -1.766
51 HD12 ILE 6 HD2 ILE 6 59.959 10.440 -1.319
52 HD13 ILE 6 HD3 ILE 6 59.695 9.979 -3.017
53 H LYS 7 HN LYS 7 56.599 10.727 -3.480
54 HA LYS 7 HA LYS 7 55.500 12.436 -4.614
55 HB2 LYS 7 HB2 LYS 7 54.847 10.442 -6.185
56 HB3 LYS 7 HB1 LYS 7 53.294 10.442 -5.315
57 HG2 LYS 7 HG2 LYS 7 52.992 12.850 -5.906
58 HG3 LYS 7 HG1 LYS 7 54.510 12.791 -6.837
59 HD2 LYS 7 HD2 LYS 7 53.560 11.008 -8.276
60 HD3 LYS 7 HD1 LYS 7 52.040 11.075 -7.352
61 HE2 LYS 7 HE2 LYS 7 53.268 13.392 -8.913
62 HE3 LYS 7 HE1 LYS 7 51.880 12.409 -9.438
63 HZ1 LYS 7 HZ1 LYS 7 50.560 13.697 -8.236
64 HZ2 LYS 7 HZ2 LYS 7 51.883 14.645 -7.750
65 HZ3 LYS 7 HZ3 LYS 7 51.407 13.304 -6.821
66 H GLY 8 HN GLY 8 55.323 11.399 -2.120
67 HA2 GLY 8 HA1 GLY 8 54.229 11.176 -0.194
68 HA3 GLY 8 HA2 GLY 8 53.926 12.937 -0.446
69 H ALA 9 HN ALA 9 52.683 9.667 -0.881
70 HA ALA 9 HA ALA 9 50.549 8.858 -1.211
71 HB1 ALA 9 HB1 ALA 9 50.455 9.633 1.144
72 HB2 ALA 9 HB2 ALA 9 48.872 9.729 0.335
73 HB3 ALA 9 HB3 ALA 9 49.838 11.204 0.583
74 H ILE 10 HN ILE 10 51.228 10.149 -3.418
75 HA ILE 10 HA ILE 10 50.255 10.978 -5.326
76 HB ILE 10 HB ILE 10 47.943 10.224 -3.821
77 HG12 ILE 10 HG12 ILE 10 46.787 10.495 -6.139
78 HG13 ILE 10 HG11 ILE 10 48.372 11.054 -6.719
79 HG21 ILE 10 HG21 ILE 10 46.252 11.915 -4.311
80 HG22 ILE 10 HG22 ILE 10 47.473 12.979 -5.044
81 HG23 ILE 10 HG23 ILE 10 47.523 12.632 -3.300
82 HD11 ILE 10 HD1 ILE 10 48.386 8.718 -7.151
83 HD12 ILE 10 HD2 ILE 10 47.604 8.337 -5.598
84 HD13 ILE 10 HD3 ILE 10 49.303 8.864 -5.634
85 H HIS 11 HN HIS 11 49.494 12.805 -2.363
86 HA HIS 11 HA HIS 11 50.939 15.129 -3.366
87 HB2 HIS 11 HB2 HIS 11 47.898 15.172 -3.237
88 HB3 HIS 11 HB1 HIS 11 48.871 16.655 -3.108
89 HD1 HIS 11 HD1 HIS 11 47.073 14.836 -5.556
90 HD2 HIS 11 HD2 HIS 11 50.945 16.477 -5.490
91 HE1 HIS 11 HE1 HIS 11 47.809 15.152 -7.983
92 H GLY 12 HN GLY 12 49.224 13.274 -1.051
93 HA2 GLY 12 HA1 GLY 12 50.553 13.846 1.215
94 HA3 GLY 12 HA2 GLY 12 49.498 15.274 1.120
95 H GLY 13 HN GLY 13 48.070 12.607 -0.375
96 HA2 GLY 13 HA1 GLY 13 46.456 11.082 0.311
97 HA3 GLY 13 HA2 GLY 13 46.969 11.328 1.992
98 H ARG 14 HN ARG 14 45.286 13.058 -0.672
99 HA ARG 14 HA ARG 14 42.946 13.515 0.966
100 HB2 ARG 14 HB2 ARG 14 43.153 15.984 1.181
101 HB3 ARG 14 HB1 ARG 14 44.363 15.104 2.136
102 HG2 ARG 14 HG2 ARG 14 45.861 16.556 1.137
103 HG3 ARG 14 HG1 ARG 14 45.759 15.431 -0.232
104 HD2 ARG 14 HD2 ARG 14 43.709 16.911 -0.977
105 HD3 ARG 14 HD1 ARG 14 44.397 18.115 0.135
106 HE ARG 14 HE ARG 14 46.457 17.099 -1.605
107 HH11 ARG 14 HH11 ARG 14 47.231 18.563 -3.147
108 HH12 ARG 14 HH12 ARG 14 46.192 19.825 -3.718
109 HH21 ARG 14 HH21 ARG 14 43.560 18.966 -1.631
110 HH22 ARG 14 HH22 ARG 14 44.114 20.053 -2.860
111 H PHE 15 HN PHE 15 44.960 14.704 -1.732
112 HA PHE 15 HA PHE 15 43.179 16.074 -3.313
113 HB2 PHE 15 HB2 PHE 15 45.587 15.345 -3.851
114 HB3 PHE 15 HB1 PHE 15 44.880 13.839 -4.483
115 HD1 PHE 15 HD1 PHE 15 44.399 17.578 -4.704
116 HD2 PHE 15 HD2 PHE 15 44.263 13.788 -6.769
117 HE1 PHE 15 HE1 PHE 15 43.863 18.755 -6.833
118 HE2 PHE 15 HE2 PHE 15 43.727 14.967 -8.896
119 HZ PHE 15 HZ PHE 15 43.577 17.454 -8.939
120 H ILE 16 HN ILE 16 43.215 12.632 -2.668
121 HA ILE 16 HA ILE 16 40.421 12.382 -3.482
122 HB ILE 16 HB ILE 16 40.872 10.455 -5.055
123 HG12 ILE 16 HG12 ILE 16 43.700 11.614 -5.041
124 HG13 ILE 16 HG11 ILE 16 43.231 10.050 -4.340
125 HG21 ILE 16 HG21 ILE 16 40.370 12.893 -5.768
126 HG22 ILE 16 HG22 ILE 16 41.105 11.833 -6.989
127 HG23 ILE 16 HG23 ILE 16 42.109 13.023 -6.126
128 HD11 ILE 16 HD1 ILE 16 44.073 9.500 -6.493
129 HD12 ILE 16 HD2 ILE 16 43.252 10.878 -7.261
130 HD13 ILE 16 HD3 ILE 16 42.306 9.478 -6.699
131 H HIS 17 HN HIS 17 41.572 12.204 -1.039
132 HA HIS 17 HA HIS 17 41.400 9.246 -0.479
133 HB2 HIS 17 HB2 HIS 17 43.789 10.080 -0.376
134 HB3 HIS 17 HB1 HIS 17 43.287 11.175 0.932
135 HD1 HIS 17 HD1 HIS 17 44.226 7.655 0.208
136 HD2 HIS 17 HD2 HIS 17 42.217 9.713 3.275
137 HE1 HIS 17 HE1 HIS 17 44.170 6.117 2.247
138 H GLY 18 HN GLY 18 41.099 12.617 0.666
139 HA2 GLY 18 HA1 GLY 18 39.990 12.162 3.209
140 HA3 GLY 18 HA2 GLY 18 39.527 13.507 2.138
141 H MET 19 HN MET 19 38.512 12.161 0.037
142 HA MET 19 HA MET 19 36.666 10.238 0.178
143 HB2 MET 19 HB2 MET 19 35.744 12.444 1.923
144 HB3 MET 19 HB1 MET 19 34.536 11.869 0.766
145 HG2 MET 19 HG2 MET 19 34.370 9.759 1.749
146 HG3 MET 19 HG1 MET 19 36.024 9.793 2.393
147 HE1 MET 19 HE1 MET 19 34.124 9.496 5.673
148 HE2 MET 19 HE2 MET 19 35.692 9.192 4.886
149 HE3 MET 19 HE3 MET 19 34.189 8.612 4.129
150 H ILE 20 HN ILE 20 38.277 12.345 -1.220
151 HA ILE 20 HA ILE 20 38.142 13.427 -3.255
152 HB ILE 20 HB ILE 20 35.761 11.536 -3.666
153 HG12 ILE 20 HG12 ILE 20 37.319 10.450 -5.265
154 HG13 ILE 20 HG11 ILE 20 38.570 11.646 -4.855
155 HG21 ILE 20 HG21 ILE 20 36.925 13.690 -5.465
156 HG22 ILE 20 HG22 ILE 20 35.219 13.392 -5.049
157 HG23 ILE 20 HG23 ILE 20 36.077 12.275 -6.134
158 HD11 ILE 20 HD1 ILE 20 37.276 9.966 -2.678
159 HD12 ILE 20 HD2 ILE 20 38.859 10.782 -2.672
160 HD13 ILE 20 HD3 ILE 20 38.617 9.318 -3.650
161 H GLN 21 HN GLN 21 35.992 13.365 -0.722
162 HA GLN 21 HA GLN 21 34.638 15.933 -1.697
163 HB2 GLN 21 HB2 GLN 21 33.135 13.886 -1.554
164 HB3 GLN 21 HB1 GLN 21 33.433 13.889 0.200
165 HG2 GLN 21 HG2 GLN 21 32.498 16.134 0.410
166 HG3 GLN 21 HG1 GLN 21 32.324 16.267 -1.356
167 HE21 GLN 21 HE21 GLN 21 30.225 15.889 -2.044
168 HE22 GLN 21 HE22 GLN 21 29.102 14.772 -1.260
169 H ASN 22 HN ASN 22 36.540 14.337 0.810
170 HA ASN 22 HA ASN 22 35.970 16.654 2.666
171 HB2 ASN 22 HB2 ASN 22 37.173 13.906 3.157
172 HB3 ASN 22 HB1 ASN 22 37.086 15.200 4.374
173 HD21 ASN 22 HD21 ASN 22 35.454 14.527 5.797
174 HD22 ASN 22 HD22 ASN 22 33.833 14.057 5.273
175 H HIS 23 HN HIS 23 38.488 14.834 0.935
176 HA HIS 23 HA HIS 23 40.749 15.310 0.662
177 HB2 HIS 23 HB2 HIS 23 39.863 18.213 0.814
178 HB3 HIS 23 HB1 HIS 23 41.241 17.538 -0.088
179 HD1 HIS 23 HD1 HIS 23 40.815 16.612 -2.411
180 HD2 HIS 23 HD2 HIS 23 37.266 17.417 -0.299
181 HE1 HIS 23 HE1 HIS 23 38.875 16.341 -4.051
182 H HIS 24 HN HIS 24 41.596 18.191 1.740
183 HA HIS 24 HA HIS 24 43.147 17.331 3.903
184 HB2 HIS 24 HB2 HIS 24 43.261 19.716 4.566
185 HB3 HIS 24 HB1 HIS 24 43.438 19.511 2.806
186 HD1 HIS 24 HD1 HIS 24 40.191 18.900 2.570
187 HD2 HIS 24 HD2 HIS 24 42.122 22.342 4.023
188 HE1 HIS 24 HE1 HIS 24 38.524 20.830 2.418
Start of MODEL 68
1 H1 PHE 1 HT1 PHE 1 55.767 0.039 -10.338
2 H2 PHE 1 HT2 PHE 1 57.413 0.365 -10.070
3 H3 PHE 1 HT3 PHE 1 56.239 0.950 -8.988
4 HA PHE 1 HA PHE 1 55.879 -1.782 -9.181
5 HB2 PHE 1 HB2 PHE 1 58.765 -0.915 -8.755
6 HB3 PHE 1 HB1 PHE 1 58.124 -2.522 -8.336
7 HD1 PHE 1 HD1 PHE 1 59.057 -0.239 -11.084
8 HD2 PHE 1 HD2 PHE 1 57.372 -4.087 -10.092
9 HE1 PHE 1 HE1 PHE 1 59.357 -0.978 -13.445
10 HE2 PHE 1 HE2 PHE 1 57.673 -4.827 -12.453
11 HZ PHE 1 HZ PHE 1 58.735 -3.298 -14.111
12 H LEU 2 HN LEU 2 57.488 0.912 -7.471
13 HA LEU 2 HA LEU 2 57.012 -0.158 -4.830
14 HB2 LEU 2 HB2 LEU 2 57.663 2.598 -5.924
15 HB3 LEU 2 HB1 LEU 2 57.356 2.344 -4.191
16 HG LEU 2 HG LEU 2 59.178 0.728 -4.048
17 HD11 LEU 2 HD11 LEU 2 59.270 1.094 -7.068
18 HD12 LEU 2 HD12 LEU 2 59.118 -0.417 -6.140
19 HD13 LEU 2 HD13 LEU 2 60.662 0.463 -6.156
20 HD21 LEU 2 HD21 LEU 2 61.082 2.228 -4.610
21 HD22 LEU 2 HD22 LEU 2 59.751 3.125 -3.842
22 HD23 LEU 2 HD23 LEU 2 59.994 3.227 -5.602
23 H GLY 3 HN GLY 3 55.520 0.584 -3.232
24 HA2 GLY 3 HA1 GLY 3 52.831 0.888 -4.309
25 HA3 GLY 3 HA2 GLY 3 53.294 0.826 -2.598
26 H ALA 4 HN ALA 4 54.684 3.080 -4.932
27 HA ALA 4 HA ALA 4 54.677 5.398 -4.953
28 HB1 ALA 4 HB1 ALA 4 51.817 5.116 -3.976
29 HB2 ALA 4 HB2 ALA 4 52.320 4.918 -5.672
30 HB3 ALA 4 HB3 ALA 4 52.527 6.488 -4.858
31 H LEU 5 HN LEU 5 55.961 4.490 -2.793
32 HA LEU 5 HA LEU 5 54.845 5.497 -0.298
33 HB2 LEU 5 HB2 LEU 5 57.781 4.972 -0.875
34 HB3 LEU 5 HB1 LEU 5 56.924 4.871 0.681
35 HG LEU 5 HG LEU 5 56.459 3.052 -1.726
36 HD11 LEU 5 HD11 LEU 5 57.716 2.467 0.990
37 HD12 LEU 5 HD12 LEU 5 58.634 2.725 -0.512
38 HD13 LEU 5 HD13 LEU 5 57.537 1.332 -0.368
39 HD21 LEU 5 HD21 LEU 5 54.385 3.205 -0.539
40 HD22 LEU 5 HD22 LEU 5 55.200 3.238 1.044
41 HD23 LEU 5 HD23 LEU 5 55.160 1.735 0.091
42 H ILE 6 HN ILE 6 55.461 7.210 -2.894
43 HA ILE 6 HA ILE 6 56.273 9.622 -1.302
44 HB ILE 6 HB ILE 6 57.959 10.289 -3.018
45 HG12 ILE 6 HG12 ILE 6 57.501 7.478 -4.131
46 HG13 ILE 6 HG11 ILE 6 57.043 8.997 -4.936
47 HG21 ILE 6 HG21 ILE 6 58.651 7.504 -2.008
48 HG22 ILE 6 HG22 ILE 6 58.539 8.915 -0.927
49 HG23 ILE 6 HG23 ILE 6 59.739 8.894 -2.238
50 HD11 ILE 6 HD1 ILE 6 59.121 8.431 -5.931
51 HD12 ILE 6 HD2 ILE 6 59.823 7.909 -4.382
52 HD13 ILE 6 HD3 ILE 6 59.560 9.642 -4.703
53 H LYS 7 HN LYS 7 56.723 11.014 -4.004
54 HA LYS 7 HA LYS 7 55.282 12.478 -5.109
55 HB2 LYS 7 HB2 LYS 7 53.633 9.910 -5.241
56 HB3 LYS 7 HB1 LYS 7 52.998 11.448 -5.871
57 HG2 LYS 7 HG2 LYS 7 55.020 11.647 -7.332
58 HG3 LYS 7 HG1 LYS 7 55.566 10.057 -6.750
59 HD2 LYS 7 HD2 LYS 7 53.614 8.965 -7.679
60 HD3 LYS 7 HD1 LYS 7 52.862 10.528 -8.073
61 HE2 LYS 7 HE2 LYS 7 54.755 11.016 -9.630
62 HE3 LYS 7 HE1 LYS 7 55.430 9.407 -9.278
63 HZ1 LYS 7 HZ1 LYS 7 53.595 9.999 -11.215
64 HZ2 LYS 7 HZ2 LYS 7 52.654 9.304 -9.983
65 HZ3 LYS 7 HZ3 LYS 7 53.969 8.451 -10.636
66 H GLY 8 HN GLY 8 55.627 11.820 -2.507
67 HA2 GLY 8 HA1 GLY 8 54.908 11.826 -0.404
68 HA3 GLY 8 HA2 GLY 8 54.379 13.496 -0.840
69 H ALA 9 HN ALA 9 53.424 10.092 -0.706
70 HA ALA 9 HA ALA 9 51.385 9.074 -0.396
71 HB1 ALA 9 HB1 ALA 9 50.601 11.707 0.899
72 HB2 ALA 9 HB2 ALA 9 51.517 10.414 1.709
73 HB3 ALA 9 HB3 ALA 9 49.848 10.117 1.164
74 H ILE 10 HN ILE 10 51.529 9.641 -2.886
75 HA ILE 10 HA ILE 10 50.315 10.024 -4.788
76 HB ILE 10 HB ILE 10 48.187 9.788 -2.705
77 HG12 ILE 10 HG12 ILE 10 49.101 8.019 -4.364
78 HG13 ILE 10 HG11 ILE 10 47.344 8.094 -4.118
79 HG21 ILE 10 HG21 ILE 10 47.604 11.386 -5.224
80 HG22 ILE 10 HG22 ILE 10 47.210 11.789 -3.534
81 HG23 ILE 10 HG23 ILE 10 46.349 10.472 -4.357
82 HD11 ILE 10 HD1 ILE 10 48.677 9.632 -6.380
83 HD12 ILE 10 HD2 ILE 10 46.975 9.148 -6.215
84 HD13 ILE 10 HD3 ILE 10 48.219 7.925 -6.562
85 H HIS 11 HN HIS 11 48.888 12.379 -2.457
86 HA HIS 11 HA HIS 11 50.158 14.590 -3.998
87 HB2 HIS 11 HB2 HIS 11 47.937 14.240 -5.058
88 HB3 HIS 11 HB1 HIS 11 47.161 14.418 -3.466
89 HD1 HIS 11 HD1 HIS 11 49.174 16.370 -6.050
90 HD2 HIS 11 HD2 HIS 11 46.933 17.075 -2.561
91 HE1 HIS 11 HE1 HIS 11 48.878 18.898 -5.834
92 H GLY 12 HN GLY 12 49.414 13.042 -1.181
93 HA2 GLY 12 HA1 GLY 12 50.495 14.158 0.811
94 HA3 GLY 12 HA2 GLY 12 49.524 15.594 0.433
95 H GLY 13 HN GLY 13 48.303 12.302 0.079
96 HA2 GLY 13 HA1 GLY 13 46.560 11.231 1.161
97 HA3 GLY 13 HA2 GLY 13 47.175 11.970 2.652
98 H ARG 14 HN ARG 14 45.114 12.529 -0.196
99 HA ARG 14 HA ARG 14 43.050 13.725 1.441
100 HB2 ARG 14 HB2 ARG 14 44.977 15.545 1.066
101 HB3 ARG 14 HB1 ARG 14 44.202 15.728 -0.521
102 HG2 ARG 14 HG2 ARG 14 42.852 16.018 2.206
103 HG3 ARG 14 HG1 ARG 14 43.245 17.333 1.076
104 HD2 ARG 14 HD2 ARG 14 41.775 15.967 -0.635
105 HD3 ARG 14 HD1 ARG 14 41.126 15.184 0.829
106 HE ARG 14 HE ARG 14 41.027 17.964 1.300
107 HH11 ARG 14 HH11 ARG 14 40.386 17.887 -1.681
108 HH12 ARG 14 HH12 ARG 14 38.659 17.771 -1.648
109 HH21 ARG 14 HH21 ARG 14 38.519 16.846 1.691
110 HH22 ARG 14 HH22 ARG 14 37.601 17.182 0.261
111 H PHE 15 HN PHE 15 44.524 13.560 -1.813
112 HA PHE 15 HA PHE 15 42.252 13.919 -3.395
113 HB2 PHE 15 HB2 PHE 15 44.577 13.602 -4.240
114 HB3 PHE 15 HB1 PHE 15 44.442 11.866 -3.882
115 HD1 PHE 15 HD1 PHE 15 43.408 14.597 -6.122
116 HD2 PHE 15 HD2 PHE 15 42.812 10.441 -5.118
117 HE1 PHE 15 HE1 PHE 15 42.254 14.236 -8.301
118 HE2 PHE 15 HE2 PHE 15 41.659 10.080 -7.298
119 HZ PHE 15 HZ PHE 15 41.451 11.960 -8.920
120 H ILE 16 HN ILE 16 43.324 10.915 -1.738
121 HA ILE 16 HA ILE 16 41.212 9.295 -2.856
122 HB ILE 16 HB ILE 16 42.826 8.974 -0.278
123 HG12 ILE 16 HG12 ILE 16 43.904 7.128 -1.599
124 HG13 ILE 16 HG11 ILE 16 42.928 7.599 -3.009
125 HG21 ILE 16 HG21 ILE 16 40.689 7.218 -1.560
126 HG22 ILE 16 HG22 ILE 16 40.796 7.772 0.128
127 HG23 ILE 16 HG23 ILE 16 41.926 6.540 -0.476
128 HD11 ILE 16 HD1 ILE 16 45.391 8.525 -2.760
129 HD12 ILE 16 HD2 ILE 16 44.654 9.672 -1.617
130 HD13 ILE 16 HD3 ILE 16 44.102 9.615 -3.309
131 H HIS 17 HN HIS 17 41.485 10.047 0.645
132 HA HIS 17 HA HIS 17 38.961 11.473 0.718
133 HB2 HIS 17 HB2 HIS 17 38.148 9.146 0.238
134 HB3 HIS 17 HB1 HIS 17 38.903 8.615 1.761
135 HD1 HIS 17 HD1 HIS 17 36.917 11.825 1.039
136 HD2 HIS 17 HD2 HIS 17 36.685 8.364 3.418
137 HE1 HIS 17 HE1 HIS 17 34.927 12.115 2.615
138 H GLY 18 HN GLY 18 41.209 12.373 1.737
139 HA2 GLY 18 HA1 GLY 18 41.890 13.316 3.767
140 HA3 GLY 18 HA2 GLY 18 40.689 12.354 4.616
141 H MET 19 HN MET 19 43.670 12.016 2.792
142 HA MET 19 HA MET 19 45.274 10.416 3.086
143 HB2 MET 19 HB2 MET 19 45.815 12.328 4.600
144 HB3 MET 19 HB1 MET 19 45.190 11.308 5.913
145 HG2 MET 19 HG2 MET 19 47.029 9.861 5.847
146 HG3 MET 19 HG1 MET 19 47.322 10.122 4.116
147 HE1 MET 19 HE1 MET 19 49.658 9.846 5.391
148 HE2 MET 19 HE2 MET 19 50.665 11.313 5.394
149 HE3 MET 19 HE3 MET 19 49.832 10.807 3.904
150 H ILE 20 HN ILE 20 42.508 9.394 3.716
151 HA ILE 20 HA ILE 20 41.659 7.407 4.557
152 HB ILE 20 HB ILE 20 44.583 6.497 4.318
153 HG12 ILE 20 HG12 ILE 20 43.669 5.234 2.349
154 HG13 ILE 20 HG11 ILE 20 42.094 6.019 2.609
155 HG21 ILE 20 HG21 ILE 20 43.651 5.046 5.950
156 HG22 ILE 20 HG22 ILE 20 43.432 4.165 4.423
157 HG23 ILE 20 HG23 ILE 20 42.059 5.027 5.157
158 HD11 ILE 20 HD1 ILE 20 44.586 7.723 2.295
159 HD12 ILE 20 HD2 ILE 20 42.891 8.135 1.941
160 HD13 ILE 20 HD3 ILE 20 43.789 7.048 0.859
161 H GLN 21 HN GLN 21 43.878 9.465 5.943
162 HA GLN 21 HA GLN 21 43.401 8.307 8.720
163 HB2 GLN 21 HB2 GLN 21 45.799 8.166 7.834
164 HB3 GLN 21 HB1 GLN 21 45.817 9.944 7.873
165 HG2 GLN 21 HG2 GLN 21 45.113 9.803 10.312
166 HG3 GLN 21 HG1 GLN 21 45.390 8.047 10.217
167 HE21 GLN 21 HE21 GLN 21 47.442 7.417 10.866
168 HE22 GLN 21 HE22 GLN 21 48.884 8.431 10.739
169 H ASN 22 HN ASN 22 43.480 11.190 6.570
170 HA ASN 22 HA ASN 22 42.909 12.958 8.890
171 HB2 ASN 22 HB2 ASN 22 42.918 13.480 5.881
172 HB3 ASN 22 HB1 ASN 22 42.698 14.713 7.142
173 HD21 ASN 22 HD21 ASN 22 44.652 13.500 9.030
174 HD22 ASN 22 HD22 ASN 22 46.244 13.799 8.324
175 H HIS 23 HN HIS 23 41.469 11.165 6.266
176 HA HIS 23 HA HIS 23 39.227 10.674 5.819
177 HB2 HIS 23 HB2 HIS 23 39.292 9.991 8.243
178 HB3 HIS 23 HB1 HIS 23 38.659 11.601 8.659
179 HD1 HIS 23 HD1 HIS 23 37.683 9.134 5.866
180 HD2 HIS 23 HD2 HIS 23 35.973 11.169 9.123
181 HE1 HIS 23 HE1 HIS 23 35.173 8.661 5.826
182 H HIS 24 HN HIS 24 40.338 13.722 6.218
183 HA HIS 24 HA HIS 24 37.824 15.204 6.260
184 HB2 HIS 24 HB2 HIS 24 40.641 16.006 5.434
185 HB3 HIS 24 HB1 HIS 24 39.270 17.129 5.603
186 HD1 HIS 24 HD1 HIS 24 42.086 16.597 7.418
187 HD2 HIS 24 HD2 HIS 24 38.049 16.055 8.467
188 HE1 HIS 24 HE1 HIS 24 41.946 16.669 9.968
Start of MODEL 69
1 H1 PHE 1 HT1 PHE 1 53.146 4.330 -8.010
2 H2 PHE 1 HT2 PHE 1 51.807 4.467 -6.973
3 H3 PHE 1 HT3 PHE 1 51.700 3.530 -8.386
4 HA PHE 1 HA PHE 1 52.724 2.875 -5.803
5 HB2 PHE 1 HB2 PHE 1 52.076 1.115 -8.193
6 HB3 PHE 1 HB1 PHE 1 52.088 0.659 -6.473
7 HD1 PHE 1 HD1 PHE 1 50.278 1.334 -4.969
8 HD2 PHE 1 HD2 PHE 1 50.268 2.509 -9.122
9 HE1 PHE 1 HE1 PHE 1 47.890 2.015 -4.769
10 HE2 PHE 1 HE2 PHE 1 47.880 3.190 -8.923
11 HZ PHE 1 HZ PHE 1 46.677 2.895 -6.759
12 H LEU 2 HN LEU 2 54.834 4.132 -6.526
13 HA LEU 2 HA LEU 2 56.641 2.559 -8.222
14 HB2 LEU 2 HB2 LEU 2 56.937 5.024 -6.476
15 HB3 LEU 2 HB1 LEU 2 58.346 4.259 -7.235
16 HG LEU 2 HG LEU 2 57.274 6.202 -8.518
17 HD11 LEU 2 HD11 LEU 2 57.768 5.273 -10.635
18 HD12 LEU 2 HD12 LEU 2 57.219 3.650 -10.172
19 HD13 LEU 2 HD13 LEU 2 58.739 4.294 -9.516
20 HD21 LEU 2 HD21 LEU 2 54.905 5.433 -8.019
21 HD22 LEU 2 HD22 LEU 2 55.143 4.135 -9.214
22 HD23 LEU 2 HD23 LEU 2 55.220 5.837 -9.721
23 H GLY 3 HN GLY 3 55.356 1.521 -5.599
24 HA2 GLY 3 HA1 GLY 3 56.018 0.125 -3.878
25 HA3 GLY 3 HA2 GLY 3 57.470 -0.201 -4.845
26 H ALA 4 HN ALA 4 56.298 2.802 -3.284
27 HA ALA 4 HA ALA 4 58.311 2.652 -1.178
28 HB1 ALA 4 HB1 ALA 4 59.706 3.271 -3.155
29 HB2 ALA 4 HB2 ALA 4 59.684 4.522 -1.887
30 HB3 ALA 4 HB3 ALA 4 58.704 4.729 -3.359
31 H LEU 5 HN LEU 5 55.539 3.848 -2.682
32 HA LEU 5 HA LEU 5 53.949 5.422 -2.054
33 HB2 LEU 5 HB2 LEU 5 55.160 4.602 0.609
34 HB3 LEU 5 HB1 LEU 5 53.810 5.759 0.520
35 HG LEU 5 HG LEU 5 52.413 4.120 -0.630
36 HD11 LEU 5 HD11 LEU 5 53.374 1.712 -0.811
37 HD12 LEU 5 HD12 LEU 5 54.974 2.477 -0.646
38 HD13 LEU 5 HD13 LEU 5 53.917 2.902 -2.014
39 HD21 LEU 5 HD21 LEU 5 53.835 2.814 1.734
40 HD22 LEU 5 HD22 LEU 5 52.179 2.478 1.176
41 HD23 LEU 5 HD23 LEU 5 52.578 4.066 1.874
42 H ILE 6 HN ILE 6 54.839 7.182 -3.180
43 HA ILE 6 HA ILE 6 55.774 9.368 -1.364
44 HB ILE 6 HB ILE 6 57.704 9.938 -2.840
45 HG12 ILE 6 HG12 ILE 6 57.004 7.306 -4.226
46 HG13 ILE 6 HG11 ILE 6 56.906 8.929 -4.943
47 HG21 ILE 6 HG21 ILE 6 57.913 8.384 -0.820
48 HG22 ILE 6 HG22 ILE 6 59.223 8.277 -2.015
49 HG23 ILE 6 HG23 ILE 6 57.953 7.032 -1.976
50 HD11 ILE 6 HD1 ILE 6 59.377 7.344 -4.175
51 HD12 ILE 6 HD2 ILE 6 59.446 9.115 -4.350
52 HD13 ILE 6 HD3 ILE 6 58.978 8.099 -5.734
53 H LYS 7 HN LYS 7 56.671 10.884 -3.860
54 HA LYS 7 HA LYS 7 55.536 12.574 -4.994
55 HB2 LYS 7 HB2 LYS 7 53.690 10.207 -5.548
56 HB3 LYS 7 HB1 LYS 7 53.244 11.850 -6.068
57 HG2 LYS 7 HG2 LYS 7 55.207 12.036 -7.458
58 HG3 LYS 7 HG1 LYS 7 55.909 10.555 -6.768
59 HD2 LYS 7 HD2 LYS 7 54.976 10.015 -8.952
60 HD3 LYS 7 HD1 LYS 7 53.963 9.257 -7.702
61 HE2 LYS 7 HE2 LYS 7 52.233 10.871 -7.963
62 HE3 LYS 7 HE1 LYS 7 53.297 12.002 -8.836
63 HZ1 LYS 7 HZ1 LYS 7 53.243 9.517 -10.176
64 HZ2 LYS 7 HZ2 LYS 7 52.736 11.041 -10.734
65 HZ3 LYS 7 HZ3 LYS 7 51.648 10.030 -9.908
66 H GLY 8 HN GLY 8 55.498 11.693 -2.437
67 HA2 GLY 8 HA1 GLY 8 54.549 11.639 -0.431
68 HA3 GLY 8 HA2 GLY 8 54.235 13.380 -0.790
69 H ALA 9 HN ALA 9 52.961 10.109 -0.774
70 HA ALA 9 HA ALA 9 50.814 9.285 -0.727
71 HB1 ALA 9 HB1 ALA 9 50.162 12.032 0.399
72 HB2 ALA 9 HB2 ALA 9 50.748 10.641 1.342
73 HB3 ALA 9 HB3 ALA 9 49.159 10.570 0.542
74 H ILE 10 HN ILE 10 51.702 10.429 -3.172
75 HA ILE 10 HA ILE 10 50.796 10.820 -5.249
76 HB ILE 10 HB ILE 10 48.537 9.774 -3.835
77 HG12 ILE 10 HG12 ILE 10 47.602 9.506 -6.248
78 HG13 ILE 10 HG11 ILE 10 49.094 10.316 -6.779
79 HG21 ILE 10 HG21 ILE 10 47.620 12.110 -3.707
80 HG22 ILE 10 HG22 ILE 10 46.605 11.000 -4.653
81 HG23 ILE 10 HG23 ILE 10 47.646 12.176 -5.486
82 HD11 ILE 10 HD1 ILE 10 49.621 8.002 -6.874
83 HD12 ILE 10 HD2 ILE 10 48.783 7.657 -5.345
84 HD13 ILE 10 HD3 ILE 10 50.333 8.529 -5.331
85 H HIS 11 HN HIS 11 49.546 12.767 -2.570
86 HA HIS 11 HA HIS 11 50.536 15.215 -3.702
87 HB2 HIS 11 HB2 HIS 11 48.632 14.952 -5.261
88 HB3 HIS 11 HB1 HIS 11 47.520 14.795 -3.881
89 HD1 HIS 11 HD1 HIS 11 50.431 17.254 -4.040
90 HD2 HIS 11 HD2 HIS 11 46.227 17.268 -4.086
91 HE1 HIS 11 HE1 HIS 11 49.676 19.692 -3.923
92 H GLY 12 HN GLY 12 49.117 13.248 -1.390
93 HA2 GLY 12 HA1 GLY 12 49.785 14.340 0.925
94 HA3 GLY 12 HA2 GLY 12 48.476 15.465 0.502
95 H GLY 13 HN GLY 13 47.891 12.471 -0.877
96 HA2 GLY 13 HA1 GLY 13 46.481 10.723 -0.338
97 HA3 GLY 13 HA2 GLY 13 46.795 11.051 1.380
98 H ARG 14 HN ARG 14 45.092 12.483 -1.430
99 HA ARG 14 HA ARG 14 42.564 12.478 -0.009
100 HB2 ARG 14 HB2 ARG 14 44.107 14.516 0.864
101 HB3 ARG 14 HB1 ARG 14 43.466 15.302 -0.592
102 HG2 ARG 14 HG2 ARG 14 41.853 14.090 1.700
103 HG3 ARG 14 HG1 ARG 14 42.007 15.814 1.300
104 HD2 ARG 14 HD2 ARG 14 41.040 15.123 -1.039
105 HD3 ARG 14 HD1 ARG 14 40.509 13.645 -0.198
106 HE ARG 14 HE ARG 14 38.835 14.944 0.824
107 HH11 ARG 14 HH11 ARG 14 40.587 16.958 -1.192
108 HH12 ARG 14 HH12 ARG 14 40.208 18.427 -0.356
109 HH21 ARG 14 HH21 ARG 14 38.705 16.824 2.327
110 HH22 ARG 14 HH22 ARG 14 39.143 18.351 1.638
111 H PHE 15 HN PHE 15 44.631 13.636 -2.640
112 HA PHE 15 HA PHE 15 42.848 14.679 -4.470
113 HB2 PHE 15 HB2 PHE 15 45.323 14.247 -4.799
114 HB3 PHE 15 HB1 PHE 15 44.908 12.565 -5.201
115 HD1 PHE 15 HD1 PHE 15 43.991 11.991 -7.353
116 HD2 PHE 15 HD2 PHE 15 44.372 16.132 -6.195
117 HE1 PHE 15 HE1 PHE 15 43.446 12.692 -9.681
118 HE2 PHE 15 HE2 PHE 15 43.828 16.832 -8.522
119 HZ PHE 15 HZ PHE 15 43.390 15.112 -10.271
120 H ILE 16 HN ILE 16 43.470 11.169 -3.968
121 HA ILE 16 HA ILE 16 41.199 10.500 -5.748
122 HB ILE 16 HB ILE 16 42.764 8.528 -4.029
123 HG12 ILE 16 HG12 ILE 16 43.520 9.709 -6.745
124 HG13 ILE 16 HG11 ILE 16 44.407 9.935 -5.220
125 HG21 ILE 16 HG21 ILE 16 40.672 7.838 -5.292
126 HG22 ILE 16 HG22 ILE 16 42.140 6.965 -5.787
127 HG23 ILE 16 HG23 ILE 16 41.506 8.283 -6.798
128 HD11 ILE 16 HD1 ILE 16 44.147 7.435 -6.918
129 HD12 ILE 16 HD2 ILE 16 44.518 7.302 -5.181
130 HD13 ILE 16 HD3 ILE 16 45.613 8.196 -6.261
131 H HIS 17 HN HIS 17 42.007 9.146 -2.491
132 HA HIS 17 HA HIS 17 39.625 10.190 -1.241
133 HB2 HIS 17 HB2 HIS 17 38.577 8.544 -2.850
134 HB3 HIS 17 HB1 HIS 17 39.480 7.251 -2.028
135 HD1 HIS 17 HD1 HIS 17 37.157 10.157 -1.015
136 HD2 HIS 17 HD2 HIS 17 38.060 6.198 0.085
137 HE1 HIS 17 HE1 HIS 17 35.551 9.502 0.863
138 H GLY 18 HN GLY 18 41.709 10.553 -0.002
139 HA2 GLY 18 HA1 GLY 18 42.959 10.028 1.897
140 HA3 GLY 18 HA2 GLY 18 41.778 8.760 2.219
141 H MET 19 HN MET 19 44.064 9.418 -0.356
142 HA MET 19 HA MET 19 45.338 7.888 -1.442
143 HB2 MET 19 HB2 MET 19 46.488 8.705 0.868
144 HB3 MET 19 HB1 MET 19 46.684 6.950 0.974
145 HG2 MET 19 HG2 MET 19 47.607 8.725 -1.338
146 HG3 MET 19 HG1 MET 19 48.655 8.004 -0.093
147 HE1 MET 19 HE1 MET 19 49.760 7.505 -2.564
148 HE2 MET 19 HE2 MET 19 49.856 5.750 -2.842
149 HE3 MET 19 HE3 MET 19 50.224 6.417 -1.233
150 H ILE 20 HN ILE 20 42.817 6.756 -0.358
151 HA ILE 20 HA ILE 20 41.904 4.632 -0.144
152 HB ILE 20 HB ILE 20 44.253 4.045 -2.010
153 HG12 ILE 20 HG12 ILE 20 42.517 3.792 -3.674
154 HG13 ILE 20 HG11 ILE 20 41.243 3.794 -2.433
155 HG21 ILE 20 HG21 ILE 20 43.057 1.762 -2.320
156 HG22 ILE 20 HG22 ILE 20 42.290 2.095 -0.748
157 HG23 ILE 20 HG23 ILE 20 44.061 1.962 -0.867
158 HD11 ILE 20 HD1 ILE 20 43.113 6.163 -2.846
159 HD12 ILE 20 HD2 ILE 20 41.570 6.123 -1.956
160 HD13 ILE 20 HD3 ILE 20 41.579 5.993 -3.729
161 H GLN 21 HN GLN 21 44.755 5.777 1.054
162 HA GLN 21 HA GLN 21 44.899 3.547 3.104
163 HB2 GLN 21 HB2 GLN 21 47.259 4.752 1.609
164 HB3 GLN 21 HB1 GLN 21 47.385 3.697 3.036
165 HG2 GLN 21 HG2 GLN 21 46.102 1.936 1.793
166 HG3 GLN 21 HG1 GLN 21 46.127 2.982 0.353
167 HE21 GLN 21 HE21 GLN 21 47.342 0.748 -0.300
168 HE22 GLN 21 HE22 GLN 21 49.099 0.834 -0.146
169 H ASN 22 HN ASN 22 45.051 6.991 2.272
170 HA ASN 22 HA ASN 22 46.165 7.655 4.950
171 HB2 ASN 22 HB2 ASN 22 46.803 9.139 3.140
172 HB3 ASN 22 HB1 ASN 22 45.104 9.376 2.666
173 HD21 ASN 22 HD21 ASN 22 47.312 9.806 5.518
174 HD22 ASN 22 HD22 ASN 22 46.489 11.255 6.107
175 H HIS 23 HN HIS 23 43.167 7.617 3.069
176 HA HIS 23 HA HIS 23 40.955 7.437 3.886
177 HB2 HIS 23 HB2 HIS 23 41.845 7.663 6.774
178 HB3 HIS 23 HB1 HIS 23 40.479 6.766 6.079
179 HD1 HIS 23 HD1 HIS 23 41.193 4.678 4.441
180 HD2 HIS 23 HD2 HIS 23 44.101 6.093 7.133
181 HE1 HIS 23 HE1 HIS 23 42.977 2.862 4.659
182 H HIS 24 HN HIS 24 39.703 8.689 6.071
183 HA HIS 24 HA HIS 24 39.432 11.351 5.055
184 HB2 HIS 24 HB2 HIS 24 38.054 11.745 7.066
185 HB3 HIS 24 HB1 HIS 24 37.654 10.185 6.307
186 HD1 HIS 24 HD1 HIS 24 39.794 11.606 9.161
187 HD2 HIS 24 HD2 HIS 24 38.023 7.982 7.975
188 HE1 HIS 24 HE1 HIS 24 40.068 9.957 11.092
Start of MODEL 70
1 H1 PHE 1 HT1 PHE 1 57.551 8.088 8.032
2 H2 PHE 1 HT2 PHE 1 57.553 7.106 9.418
3 H3 PHE 1 HT3 PHE 1 56.084 7.555 8.692
4 HA PHE 1 HA PHE 1 58.172 5.842 7.504
5 HB2 PHE 1 HB2 PHE 1 55.360 5.152 8.443
6 HB3 PHE 1 HB1 PHE 1 56.583 4.031 7.797
7 HD1 PHE 1 HD1 PHE 1 58.638 3.510 9.099
8 HD2 PHE 1 HD2 PHE 1 55.500 5.991 10.722
9 HE1 PHE 1 HE1 PHE 1 59.592 3.225 11.383
10 HE2 PHE 1 HE2 PHE 1 56.454 5.705 13.005
11 HZ PHE 1 HZ PHE 1 58.536 4.373 13.326
12 H LEU 2 HN LEU 2 58.165 7.263 5.651
13 HA LEU 2 HA LEU 2 55.664 7.678 4.183
14 HB2 LEU 2 HB2 LEU 2 58.479 7.971 3.084
15 HB3 LEU 2 HB1 LEU 2 57.001 8.827 2.585
16 HG LEU 2 HG LEU 2 58.407 9.103 5.281
17 HD11 LEU 2 HD11 LEU 2 58.139 10.995 2.904
18 HD12 LEU 2 HD12 LEU 2 59.628 10.172 3.426
19 HD13 LEU 2 HD13 LEU 2 58.881 11.408 4.468
20 HD21 LEU 2 HD21 LEU 2 55.853 10.296 4.123
21 HD22 LEU 2 HD22 LEU 2 56.742 11.080 5.451
22 HD23 LEU 2 HD23 LEU 2 56.070 9.449 5.673
23 H GLY 3 HN GLY 3 55.891 4.971 4.729
24 HA2 GLY 3 HA1 GLY 3 57.178 3.343 2.864
25 HA3 GLY 3 HA2 GLY 3 55.605 2.971 3.596
26 H ALA 4 HN ALA 4 54.345 5.385 2.422
27 HA ALA 4 HA ALA 4 53.234 4.228 0.107
28 HB1 ALA 4 HB1 ALA 4 52.496 6.556 -0.444
29 HB2 ALA 4 HB2 ALA 4 53.538 7.151 0.871
30 HB3 ALA 4 HB3 ALA 4 52.165 6.078 1.237
31 H LEU 5 HN LEU 5 53.329 5.140 -2.147
32 HA LEU 5 HA LEU 5 56.105 4.984 -3.064
33 HB2 LEU 5 HB2 LEU 5 53.997 4.021 -4.213
34 HB3 LEU 5 HB1 LEU 5 53.671 5.685 -4.740
35 HG LEU 5 HG LEU 5 56.201 5.613 -5.587
36 HD11 LEU 5 HD11 LEU 5 56.820 3.438 -4.653
37 HD12 LEU 5 HD12 LEU 5 56.784 3.312 -6.424
38 HD13 LEU 5 HD13 LEU 5 55.441 2.657 -5.460
39 HD21 LEU 5 HD21 LEU 5 53.963 4.091 -6.998
40 HD22 LEU 5 HD22 LEU 5 55.418 4.755 -7.779
41 HD23 LEU 5 HD23 LEU 5 54.219 5.850 -7.052
42 H ILE 6 HN ILE 6 55.902 7.175 -1.392
43 HA ILE 6 HA ILE 6 56.166 9.515 -1.291
44 HB ILE 6 HB ILE 6 57.423 9.391 -4.080
45 HG12 ILE 6 HG12 ILE 6 58.567 8.119 -1.551
46 HG13 ILE 6 HG11 ILE 6 58.109 7.269 -3.045
47 HG21 ILE 6 HG21 ILE 6 58.555 10.558 -1.506
48 HG22 ILE 6 HG22 ILE 6 57.350 11.445 -2.467
49 HG23 ILE 6 HG23 ILE 6 58.915 11.010 -3.189
50 HD11 ILE 6 HD1 ILE 6 59.787 8.819 -4.250
51 HD12 ILE 6 HD2 ILE 6 60.472 7.557 -3.197
52 HD13 ILE 6 HD3 ILE 6 60.385 9.240 -2.626
53 H LYS 7 HN LYS 7 56.469 11.043 -4.012
54 HA LYS 7 HA LYS 7 54.976 12.586 -4.928
55 HB2 LYS 7 HB2 LYS 7 53.119 10.149 -4.937
56 HB3 LYS 7 HB1 LYS 7 52.707 11.710 -5.685
57 HG2 LYS 7 HG2 LYS 7 54.792 11.516 -7.090
58 HG3 LYS 7 HG1 LYS 7 55.027 9.880 -6.431
59 HD2 LYS 7 HD2 LYS 7 52.902 9.136 -7.354
60 HD3 LYS 7 HD1 LYS 7 52.501 10.792 -7.871
61 HE2 LYS 7 HE2 LYS 7 54.905 9.198 -8.865
62 HE3 LYS 7 HE1 LYS 7 53.371 9.379 -9.750
63 HZ1 LYS 7 HZ1 LYS 7 54.088 11.314 -10.514
64 HZ2 LYS 7 HZ2 LYS 7 55.552 11.142 -9.668
65 HZ3 LYS 7 HZ3 LYS 7 54.230 11.920 -8.937
66 H GLY 8 HN GLY 8 55.517 11.819 -2.391
67 HA2 GLY 8 HA1 GLY 8 54.977 11.752 -0.237
68 HA3 GLY 8 HA2 GLY 8 54.465 13.454 -0.560
69 H ALA 9 HN ALA 9 53.517 10.141 -0.061
70 HA ALA 9 HA ALA 9 51.531 9.176 0.556
71 HB1 ALA 9 HB1 ALA 9 51.630 11.091 2.235
72 HB2 ALA 9 HB2 ALA 9 50.014 10.421 1.909
73 HB3 ALA 9 HB3 ALA 9 50.504 11.964 1.169
74 H ILE 10 HN ILE 10 51.804 9.398 -2.078
75 HA ILE 10 HA ILE 10 50.549 9.170 -3.985
76 HB ILE 10 HB ILE 10 48.554 8.876 -1.966
77 HG12 ILE 10 HG12 ILE 10 48.262 8.507 -4.984
78 HG13 ILE 10 HG11 ILE 10 49.045 7.350 -3.884
79 HG21 ILE 10 HG21 ILE 10 47.771 11.210 -2.500
80 HG22 ILE 10 HG22 ILE 10 46.552 9.964 -2.817
81 HG23 ILE 10 HG23 ILE 10 47.465 10.677 -4.167
82 HD11 ILE 10 HD1 ILE 10 46.873 6.466 -4.018
83 HD12 ILE 10 HD2 ILE 10 46.112 8.069 -4.124
84 HD13 ILE 10 HD3 ILE 10 46.740 7.482 -2.564
85 H HIS 11 HN HIS 11 49.813 12.037 -2.005
86 HA HIS 11 HA HIS 11 50.707 13.820 -4.088
87 HB2 HIS 11 HB2 HIS 11 48.522 13.170 -5.092
88 HB3 HIS 11 HB1 HIS 11 47.698 13.727 -3.615
89 HD1 HIS 11 HD1 HIS 11 47.217 16.196 -3.388
90 HD2 HIS 11 HD2 HIS 11 49.810 15.325 -6.580
91 HE1 HIS 11 HE1 HIS 11 47.586 18.367 -4.683
92 H GLY 12 HN GLY 12 49.800 12.967 -1.002
93 HA2 GLY 12 HA1 GLY 12 50.784 14.509 0.734
94 HA3 GLY 12 HA2 GLY 12 49.869 15.823 -0.032
95 H GLY 13 HN GLY 13 48.705 12.506 0.397
96 HA2 GLY 13 HA1 GLY 13 46.889 11.700 1.578
97 HA3 GLY 13 HA2 GLY 13 47.328 12.860 2.848
98 H ARG 14 HN ARG 14 45.755 12.701 -0.373
99 HA ARG 14 HA ARG 14 43.460 14.226 0.685
100 HB2 ARG 14 HB2 ARG 14 45.333 15.902 -0.022
101 HB3 ARG 14 HB1 ARG 14 44.931 15.432 -1.688
102 HG2 ARG 14 HG2 ARG 14 42.932 16.507 0.361
103 HG3 ARG 14 HG1 ARG 14 43.684 17.468 -0.930
104 HD2 ARG 14 HD2 ARG 14 42.720 15.571 -2.520
105 HD3 ARG 14 HD1 ARG 14 41.621 15.266 -1.151
106 HE ARG 14 HE ARG 14 41.618 18.064 -1.654
107 HH11 ARG 14 HH11 ARG 14 40.026 15.166 -2.308
108 HH12 ARG 14 HH12 ARG 14 39.052 15.795 -3.595
109 HH21 ARG 14 HH21 ARG 14 40.674 18.858 -3.682
110 HH22 ARG 14 HH22 ARG 14 39.418 17.886 -4.372
111 H PHE 15 HN PHE 15 45.048 13.481 -2.471
112 HA PHE 15 HA PHE 15 42.634 12.978 -3.876
113 HB2 PHE 15 HB2 PHE 15 44.930 13.221 -4.881
114 HB3 PHE 15 HB1 PHE 15 45.299 11.578 -4.309
115 HD1 PHE 15 HD1 PHE 15 42.898 13.546 -6.420
116 HD2 PHE 15 HD2 PHE 15 44.596 9.671 -5.560
117 HE1 PHE 15 HE1 PHE 15 41.772 12.604 -8.434
118 HE2 PHE 15 HE2 PHE 15 43.469 8.730 -7.573
119 HZ PHE 15 HZ PHE 15 42.063 10.198 -9.013
120 H ILE 16 HN ILE 16 41.168 11.821 -2.660
121 HA ILE 16 HA ILE 16 40.314 10.003 -1.473
122 HB ILE 16 HB ILE 16 39.685 9.426 -3.705
123 HG12 ILE 16 HG12 ILE 16 40.898 6.772 -2.873
124 HG13 ILE 16 HG11 ILE 16 39.777 7.565 -1.746
125 HG21 ILE 16 HG21 ILE 16 41.755 9.688 -4.903
126 HG22 ILE 16 HG22 ILE 16 41.205 8.020 -5.168
127 HG23 ILE 16 HG23 ILE 16 42.516 8.348 -4.017
128 HD11 ILE 16 HD1 ILE 16 39.195 6.878 -4.663
129 HD12 ILE 16 HD2 ILE 16 38.072 7.697 -3.551
130 HD13 ILE 16 HD3 ILE 16 38.570 6.018 -3.238
131 H HIS 17 HN HIS 17 42.071 10.331 0.137
132 HA HIS 17 HA HIS 17 43.113 7.755 0.905
133 HB2 HIS 17 HB2 HIS 17 44.783 8.288 -0.862
134 HB3 HIS 17 HB1 HIS 17 45.177 9.801 -0.011
135 HD1 HIS 17 HD1 HIS 17 46.523 9.656 2.194
136 HD2 HIS 17 HD2 HIS 17 45.622 5.904 0.526
137 HE1 HIS 17 HE1 HIS 17 47.950 7.921 3.408
138 H GLY 18 HN GLY 18 42.621 11.142 1.223
139 HA2 GLY 18 HA1 GLY 18 42.701 10.923 4.143
140 HA3 GLY 18 HA2 GLY 18 43.968 11.967 3.467
141 H MET 19 HN MET 19 40.536 11.352 2.689
142 HA MET 19 HA MET 19 39.515 13.898 3.572
143 HB2 MET 19 HB2 MET 19 40.929 14.615 1.726
144 HB3 MET 19 HB1 MET 19 40.021 13.545 0.667
145 HG2 MET 19 HG2 MET 19 37.960 14.812 1.083
146 HG3 MET 19 HG1 MET 19 38.802 15.828 2.273
147 HE1 MET 19 HE1 MET 19 38.095 18.286 -0.605
148 HE2 MET 19 HE2 MET 19 37.577 17.603 0.954
149 HE3 MET 19 HE3 MET 19 37.133 16.789 -0.565
150 H ILE 20 HN ILE 20 39.189 11.829 0.653
151 HA ILE 20 HA ILE 20 36.309 11.500 1.084
152 HB ILE 20 HB ILE 20 38.201 9.609 -0.405
153 HG12 ILE 20 HG12 ILE 20 38.640 11.686 -1.468
154 HG13 ILE 20 HG11 ILE 20 37.365 10.977 -2.475
155 HG21 ILE 20 HG21 ILE 20 35.200 10.123 -0.491
156 HG22 ILE 20 HG22 ILE 20 36.046 8.621 -0.065
157 HG23 ILE 20 HG23 ILE 20 36.058 9.200 -1.746
158 HD11 ILE 20 HD1 ILE 20 37.098 13.180 -0.384
159 HD12 ILE 20 HD2 ILE 20 35.689 12.325 -1.053
160 HD13 ILE 20 HD3 ILE 20 36.744 13.271 -2.125
161 H GLN 21 HN GLN 21 39.129 10.782 2.548
162 HA GLN 21 HA GLN 21 38.032 8.523 4.156
163 HB2 GLN 21 HB2 GLN 21 40.052 7.935 2.729
164 HB3 GLN 21 HB1 GLN 21 40.961 9.177 3.624
165 HG2 GLN 21 HG2 GLN 21 40.380 8.004 5.761
166 HG3 GLN 21 HG1 GLN 21 39.594 6.722 4.808
167 HE21 GLN 21 HE21 GLN 21 41.733 7.120 2.608
168 HE22 GLN 21 HE22 GLN 21 43.143 6.272 3.252
169 H ASN 22 HN ASN 22 39.508 11.847 3.895
170 HA ASN 22 HA ASN 22 39.367 11.895 6.968
171 HB2 ASN 22 HB2 ASN 22 41.668 12.237 5.780
172 HB3 ASN 22 HB1 ASN 22 41.033 13.838 5.351
173 HD21 ASN 22 HD21 ASN 22 42.184 11.805 8.015
174 HD22 ASN 22 HD22 ASN 22 42.148 13.083 9.234
175 H HIS 23 HN HIS 23 37.178 12.416 4.987
176 HA HIS 23 HA HIS 23 36.662 15.134 4.588
177 HB2 HIS 23 HB2 HIS 23 35.193 13.361 3.758
178 HB3 HIS 23 HB1 HIS 23 34.709 12.950 5.419
179 HD1 HIS 23 HD1 HIS 23 32.944 14.405 6.563
180 HD2 HIS 23 HD2 HIS 23 34.252 15.988 2.893
181 HE1 HIS 23 HE1 HIS 23 31.377 16.330 5.963
182 H HIS 24 HN HIS 24 34.628 13.668 7.071
183 HA HIS 24 HA HIS 24 34.681 16.095 8.644
184 HB2 HIS 24 HB2 HIS 24 32.728 14.582 8.577
185 HB3 HIS 24 HB1 HIS 24 33.689 13.311 9.371
186 HD1 HIS 24 HD1 HIS 24 32.054 16.678 9.988
187 HD2 HIS 24 HD2 HIS 24 34.187 13.762 12.143
188 HE1 HIS 24 HE1 HIS 24 31.810 17.234 12.470
Start of MODEL 71
1 H1 PHE 1 HT1 PHE 1 63.044 7.560 0.985
2 H2 PHE 1 HT2 PHE 1 62.725 8.938 1.927
3 H3 PHE 1 HT3 PHE 1 61.455 8.136 1.132
4 HA PHE 1 HA PHE 1 63.136 6.897 3.210
5 HB2 PHE 1 HB2 PHE 1 60.355 8.096 3.508
6 HB3 PHE 1 HB1 PHE 1 61.342 7.340 4.783
7 HD1 PHE 1 HD1 PHE 1 63.314 8.480 5.705
8 HD2 PHE 1 HD2 PHE 1 60.910 10.317 2.625
9 HE1 PHE 1 HE1 PHE 1 64.415 10.671 6.151
10 HE2 PHE 1 HE2 PHE 1 62.013 12.507 3.071
11 HZ PHE 1 HZ PHE 1 63.757 12.687 4.842
12 H LEU 2 HN LEU 2 59.760 6.981 1.969
13 HA LEU 2 HA LEU 2 59.485 4.098 2.350
14 HB2 LEU 2 HB2 LEU 2 57.644 5.849 0.687
15 HB3 LEU 2 HB1 LEU 2 57.246 4.398 1.637
16 HG LEU 2 HG LEU 2 58.093 7.116 2.734
17 HD11 LEU 2 HD11 LEU 2 55.486 5.539 2.914
18 HD12 LEU 2 HD12 LEU 2 55.757 6.993 1.922
19 HD13 LEU 2 HD13 LEU 2 55.808 7.103 3.698
20 HD21 LEU 2 HD21 LEU 2 57.599 4.421 4.072
21 HD22 LEU 2 HD22 LEU 2 57.492 5.959 4.964
22 HD23 LEU 2 HD23 LEU 2 59.028 5.473 4.211
23 H GLY 3 HN GLY 3 60.075 6.296 -0.382
24 HA2 GLY 3 HA1 GLY 3 60.842 5.843 -2.516
25 HA3 GLY 3 HA2 GLY 3 61.363 4.255 -1.920
26 H ALA 4 HN ALA 4 58.052 5.559 -1.935
27 HA ALA 4 HA ALA 4 57.252 4.178 -4.344
28 HB1 ALA 4 HB1 ALA 4 55.859 2.426 -3.262
29 HB2 ALA 4 HB2 ALA 4 56.599 2.839 -1.697
30 HB3 ALA 4 HB3 ALA 4 57.601 2.173 -3.008
31 H LEU 5 HN LEU 5 55.777 4.613 -1.092
32 HA LEU 5 HA LEU 5 53.403 5.847 -2.293
33 HB2 LEU 5 HB2 LEU 5 54.334 5.278 0.541
34 HB3 LEU 5 HB1 LEU 5 52.871 6.240 0.228
35 HG LEU 5 HG LEU 5 51.953 4.364 -1.138
36 HD11 LEU 5 HD11 LEU 5 53.875 3.216 -1.950
37 HD12 LEU 5 HD12 LEU 5 53.166 2.095 -0.768
38 HD13 LEU 5 HD13 LEU 5 54.586 3.073 -0.326
39 HD21 LEU 5 HD21 LEU 5 51.440 4.565 1.288
40 HD22 LEU 5 HD22 LEU 5 52.858 3.557 1.664
41 HD23 LEU 5 HD23 LEU 5 51.484 2.863 0.770
42 H ILE 6 HN ILE 6 56.048 7.151 -2.715
43 HA ILE 6 HA ILE 6 55.947 9.620 -1.061
44 HB ILE 6 HB ILE 6 57.816 10.366 -2.524
45 HG12 ILE 6 HG12 ILE 6 57.195 7.810 -4.083
46 HG13 ILE 6 HG11 ILE 6 57.026 9.476 -4.681
47 HG21 ILE 6 HG21 ILE 6 58.134 8.669 -0.623
48 HG22 ILE 6 HG22 ILE 6 59.430 8.736 -1.839
49 HG23 ILE 6 HG23 ILE 6 58.233 7.420 -1.888
50 HD11 ILE 6 HD1 ILE 6 59.564 9.718 -4.129
51 HD12 ILE 6 HD2 ILE 6 59.109 8.768 -5.563
52 HD13 ILE 6 HD3 ILE 6 59.567 7.938 -4.059
53 H LYS 7 HN LYS 7 56.691 11.334 -3.447
54 HA LYS 7 HA LYS 7 55.433 13.007 -4.475
55 HB2 LYS 7 HB2 LYS 7 53.768 10.547 -5.172
56 HB3 LYS 7 HB1 LYS 7 53.183 12.178 -5.578
57 HG2 LYS 7 HG2 LYS 7 55.090 12.614 -6.978
58 HG3 LYS 7 HG1 LYS 7 55.943 11.171 -6.380
59 HD2 LYS 7 HD2 LYS 7 55.007 10.712 -8.602
60 HD3 LYS 7 HD1 LYS 7 54.159 9.734 -7.382
61 HE2 LYS 7 HE2 LYS 7 52.224 11.107 -7.454
62 HE3 LYS 7 HE1 LYS 7 53.092 12.449 -8.240
63 HZ1 LYS 7 HZ1 LYS 7 51.621 11.062 -9.715
64 HZ2 LYS 7 HZ2 LYS 7 52.736 9.794 -9.522
65 HZ3 LYS 7 HZ3 LYS 7 53.220 11.252 -10.247
66 H GLY 8 HN GLY 8 55.483 11.968 -1.978
67 HA2 GLY 8 HA1 GLY 8 54.571 11.730 0.026
68 HA3 GLY 8 HA2 GLY 8 54.107 13.458 -0.227
69 H ALA 9 HN ALA 9 53.121 10.129 -0.158
70 HA ALA 9 HA ALA 9 51.065 9.110 -0.102
71 HB1 ALA 9 HB1 ALA 9 50.216 11.852 0.899
72 HB2 ALA 9 HB2 ALA 9 50.748 10.472 1.890
73 HB3 ALA 9 HB3 ALA 9 49.217 10.382 0.984
74 H ILE 10 HN ILE 10 51.715 9.631 -2.586
75 HA ILE 10 HA ILE 10 50.821 9.767 -4.688
76 HB ILE 10 HB ILE 10 48.430 9.393 -3.021
77 HG12 ILE 10 HG12 ILE 10 48.860 8.781 -5.977
78 HG13 ILE 10 HG11 ILE 10 49.510 7.786 -4.656
79 HG21 ILE 10 HG21 ILE 10 47.669 11.583 -3.864
80 HG22 ILE 10 HG22 ILE 10 46.717 10.268 -4.583
81 HG23 ILE 10 HG23 ILE 10 47.992 11.062 -5.536
82 HD11 ILE 10 HD1 ILE 10 47.503 6.661 -5.091
83 HD12 ILE 10 HD2 ILE 10 46.639 8.146 -5.545
84 HD13 ILE 10 HD3 ILE 10 46.958 7.789 -3.831
85 H HIS 11 HN HIS 11 49.912 12.325 -2.407
86 HA HIS 11 HA HIS 11 50.993 14.362 -4.122
87 HB2 HIS 11 HB2 HIS 11 48.935 13.971 -5.430
88 HB3 HIS 11 HB1 HIS 11 47.951 14.226 -3.970
89 HD1 HIS 11 HD1 HIS 11 46.793 16.401 -4.592
90 HD2 HIS 11 HD2 HIS 11 50.977 16.594 -4.971
91 HE1 HIS 11 HE1 HIS 11 47.403 18.840 -5.052
92 H GLY 12 HN GLY 12 49.343 13.179 -1.353
93 HA2 GLY 12 HA1 GLY 12 50.444 14.712 0.592
94 HA3 GLY 12 HA2 GLY 12 49.171 15.801 -0.001
95 H GLY 13 HN GLY 13 48.191 12.689 -0.576
96 HA2 GLY 13 HA1 GLY 13 47.361 11.675 1.914
97 HA3 GLY 13 HA2 GLY 13 46.099 12.806 1.385
98 H ARG 14 HN ARG 14 45.218 12.514 -0.796
99 HA ARG 14 HA ARG 14 45.634 10.087 -2.194
100 HB2 ARG 14 HB2 ARG 14 44.313 9.369 -0.034
101 HB3 ARG 14 HB1 ARG 14 42.917 10.023 -0.914
102 HG2 ARG 14 HG2 ARG 14 44.818 7.871 -1.947
103 HG3 ARG 14 HG1 ARG 14 43.179 7.591 -1.315
104 HD2 ARG 14 HD2 ARG 14 42.414 9.304 -3.136
105 HD3 ARG 14 HD1 ARG 14 44.010 9.004 -3.869
106 HE ARG 14 HE ARG 14 42.874 6.471 -3.356
107 HH11 ARG 14 HH11 ARG 14 43.605 6.619 -6.015
108 HH12 ARG 14 HH12 ARG 14 42.163 6.964 -6.912
109 HH21 ARG 14 HH21 ARG 14 40.393 8.080 -4.148
110 HH22 ARG 14 HH22 ARG 14 40.345 7.791 -5.854
111 H PHE 15 HN PHE 15 45.779 11.650 -3.846
112 HA PHE 15 HA PHE 15 44.913 12.904 -5.598
113 HB2 PHE 15 HB2 PHE 15 43.394 10.844 -5.788
114 HB3 PHE 15 HB1 PHE 15 42.173 11.771 -4.889
115 HD1 PHE 15 HD1 PHE 15 44.438 12.002 -7.888
116 HD2 PHE 15 HD2 PHE 15 40.730 13.248 -6.064
117 HE1 PHE 15 HE1 PHE 15 43.785 13.152 -9.999
118 HE2 PHE 15 HE2 PHE 15 40.077 14.396 -8.176
119 HZ PHE 15 HZ PHE 15 41.585 14.310 -10.156
120 H ILE 16 HN ILE 16 41.999 12.899 -3.505
121 HA ILE 16 HA ILE 16 41.882 15.798 -3.536
122 HB ILE 16 HB ILE 16 40.548 13.825 -1.601
123 HG12 ILE 16 HG12 ILE 16 38.529 14.741 -3.274
124 HG13 ILE 16 HG11 ILE 16 39.892 14.730 -4.409
125 HG21 ILE 16 HG21 ILE 16 38.973 15.755 -1.220
126 HG22 ILE 16 HG22 ILE 16 40.045 16.775 -2.208
127 HG23 ILE 16 HG23 ILE 16 40.632 16.085 -0.677
128 HD11 ILE 16 HD1 ILE 16 38.673 12.416 -2.869
129 HD12 ILE 16 HD2 ILE 16 40.333 12.311 -3.494
130 HD13 ILE 16 HD3 ILE 16 38.976 12.560 -4.616
131 H HIS 17 HN HIS 17 42.273 13.521 -0.782
132 HA HIS 17 HA HIS 17 44.809 14.398 0.100
133 HB2 HIS 17 HB2 HIS 17 43.876 16.637 0.461
134 HB3 HIS 17 HB1 HIS 17 42.527 15.960 1.395
135 HD1 HIS 17 HD1 HIS 17 46.245 15.051 1.648
136 HD2 HIS 17 HD2 HIS 17 43.238 16.907 3.925
137 HE1 HIS 17 HE1 HIS 17 47.188 15.429 3.993
138 H GLY 18 HN GLY 18 44.092 11.862 0.135
139 HA2 GLY 18 HA1 GLY 18 44.412 10.347 2.078
140 HA3 GLY 18 HA2 GLY 18 43.302 11.354 3.021
141 H MET 19 HN MET 19 41.497 11.809 0.888
142 HA MET 19 HA MET 19 40.302 10.207 -0.635
143 HB2 MET 19 HB2 MET 19 40.624 8.090 0.353
144 HB3 MET 19 HB1 MET 19 40.040 8.641 1.925
145 HG2 MET 19 HG2 MET 19 37.763 8.816 1.096
146 HG3 MET 19 HG1 MET 19 38.303 8.523 -0.572
147 HE1 MET 19 HE1 MET 19 40.434 5.778 -0.138
148 HE2 MET 19 HE2 MET 19 39.491 6.667 -1.356
149 HE3 MET 19 HE3 MET 19 39.072 4.984 -0.961
150 H ILE 20 HN ILE 20 39.341 12.043 -1.125
151 HA ILE 20 HA ILE 20 37.671 13.654 -1.040
152 HB ILE 20 HB ILE 20 36.157 11.946 0.992
153 HG12 ILE 20 HG12 ILE 20 36.353 11.539 -2.030
154 HG13 ILE 20 HG11 ILE 20 36.882 10.400 -0.773
155 HG21 ILE 20 HG21 ILE 20 34.216 12.985 0.072
156 HG22 ILE 20 HG22 ILE 20 35.087 13.531 -1.381
157 HG23 ILE 20 HG23 ILE 20 35.403 14.302 0.188
158 HD11 ILE 20 HD1 ILE 20 34.429 10.464 0.067
159 HD12 ILE 20 HD2 ILE 20 34.751 9.590 -1.449
160 HD13 ILE 20 HD3 ILE 20 34.051 11.224 -1.498
161 H GLN 21 HN GLN 21 39.927 13.170 0.780
162 HA GLN 21 HA GLN 21 40.919 14.555 2.415
163 HB2 GLN 21 HB2 GLN 21 38.839 16.187 2.036
164 HB3 GLN 21 HB1 GLN 21 38.224 15.435 3.526
165 HG2 GLN 21 HG2 GLN 21 40.426 15.999 4.636
166 HG3 GLN 21 HG1 GLN 21 40.870 16.908 3.171
167 HE21 GLN 21 HE21 GLN 21 39.891 18.969 2.802
168 HE22 GLN 21 HE22 GLN 21 38.792 19.710 3.970
169 H ASN 22 HN ASN 22 40.059 11.910 2.249
170 HA ASN 22 HA ASN 22 39.482 10.056 3.478
171 HB2 ASN 22 HB2 ASN 22 40.773 9.927 5.681
172 HB3 ASN 22 HB1 ASN 22 41.697 10.176 4.170
173 HD21 ASN 22 HD21 ASN 22 40.992 11.492 7.322
174 HD22 ASN 22 HD22 ASN 22 41.833 13.029 7.098
175 H HIS 23 HN HIS 23 37.375 11.193 3.305
176 HA HIS 23 HA HIS 23 35.318 11.658 4.311
177 HB2 HIS 23 HB2 HIS 23 36.525 9.843 6.435
178 HB3 HIS 23 HB1 HIS 23 34.816 10.338 6.389
179 HD1 HIS 23 HD1 HIS 23 34.441 10.206 3.258
180 HD2 HIS 23 HD2 HIS 23 36.243 7.196 5.578
181 HE1 HIS 23 HE1 HIS 23 34.209 8.010 1.971
182 H HIS 24 HN HIS 24 34.287 12.285 6.627
183 HA HIS 24 HA HIS 24 35.241 14.879 7.205
184 HB2 HIS 24 HB2 HIS 24 32.974 13.980 7.783
185 HB3 HIS 24 HB1 HIS 24 33.721 13.049 9.103
186 HD1 HIS 24 HD1 HIS 24 33.227 14.229 11.246
187 HD2 HIS 24 HD2 HIS 24 34.179 16.912 8.151
188 HE1 HIS 24 HE1 HIS 24 33.285 16.574 12.262
Start of MODEL 72
1 H1 PHE 1 HT1 PHE 1 56.218 5.573 -12.514
2 H2 PHE 1 HT2 PHE 1 55.316 4.243 -13.062
3 H3 PHE 1 HT3 PHE 1 56.327 5.089 -14.133
4 HA PHE 1 HA PHE 1 56.983 2.835 -12.905
5 HB2 PHE 1 HB2 PHE 1 59.302 3.410 -13.524
6 HB3 PHE 1 HB1 PHE 1 58.159 3.898 -14.797
7 HD1 PHE 1 HD1 PHE 1 60.472 5.072 -12.172
8 HD2 PHE 1 HD2 PHE 1 57.571 6.277 -15.132
9 HE1 PHE 1 HE1 PHE 1 61.262 7.428 -11.987
10 HE2 PHE 1 HE2 PHE 1 58.361 8.634 -14.947
11 HZ PHE 1 HZ PHE 1 60.224 9.203 -13.394
12 H LEU 2 HN LEU 2 56.187 5.333 -11.063
13 HA LEU 2 HA LEU 2 58.418 5.500 -9.209
14 HB2 LEU 2 HB2 LEU 2 55.500 6.074 -8.582
15 HB3 LEU 2 HB1 LEU 2 56.948 6.785 -7.832
16 HG LEU 2 HG LEU 2 56.093 7.158 -10.740
17 HD11 LEU 2 HD11 LEU 2 56.097 9.120 -8.406
18 HD12 LEU 2 HD12 LEU 2 54.648 8.303 -9.040
19 HD13 LEU 2 HD13 LEU 2 55.547 9.445 -10.066
20 HD21 LEU 2 HD21 LEU 2 57.906 9.010 -10.549
21 HD22 LEU 2 HD22 LEU 2 58.477 7.332 -10.677
22 HD23 LEU 2 HD23 LEU 2 58.460 8.147 -9.093
23 H GLY 3 HN GLY 3 58.988 3.317 -8.804
24 HA2 GLY 3 HA1 GLY 3 57.034 1.497 -7.621
25 HA3 GLY 3 HA2 GLY 3 58.781 1.232 -7.785
26 H ALA 4 HN ALA 4 56.756 3.671 -6.090
27 HA ALA 4 HA ALA 4 57.410 2.672 -3.469
28 HB1 ALA 4 HB1 ALA 4 58.885 4.596 -2.785
29 HB2 ALA 4 HB2 ALA 4 59.060 4.994 -4.512
30 HB3 ALA 4 HB3 ALA 4 59.650 3.433 -3.893
31 H LEU 5 HN LEU 5 55.771 3.301 -2.241
32 HA LEU 5 HA LEU 5 53.955 5.381 -3.143
33 HB2 LEU 5 HB2 LEU 5 54.056 4.167 -0.359
34 HB3 LEU 5 HB1 LEU 5 52.649 4.827 -1.226
35 HG LEU 5 HG LEU 5 54.221 2.327 -2.002
36 HD11 LEU 5 HD11 LEU 5 51.358 2.628 -0.996
37 HD12 LEU 5 HD12 LEU 5 52.734 2.163 0.034
38 HD13 LEU 5 HD13 LEU 5 52.232 1.111 -1.311
39 HD21 LEU 5 HD21 LEU 5 52.175 2.083 -3.588
40 HD22 LEU 5 HD22 LEU 5 53.412 3.277 -4.040
41 HD23 LEU 5 HD23 LEU 5 51.891 3.815 -3.286
42 H ILE 6 HN ILE 6 54.979 7.346 -3.282
43 HA ILE 6 HA ILE 6 55.416 8.710 -0.652
44 HB ILE 6 HB ILE 6 57.635 9.609 -1.356
45 HG12 ILE 6 HG12 ILE 6 57.320 7.663 -3.692
46 HG13 ILE 6 HG11 ILE 6 57.378 9.436 -3.804
47 HG21 ILE 6 HG21 ILE 6 57.370 7.444 -0.014
48 HG22 ILE 6 HG22 ILE 6 58.932 7.665 -0.832
49 HG23 ILE 6 HG23 ILE 6 57.710 6.573 -1.528
50 HD11 ILE 6 HD1 ILE 6 59.611 7.511 -3.087
51 HD12 ILE 6 HD2 ILE 6 59.698 9.228 -2.619
52 HD13 ILE 6 HD3 ILE 6 59.588 8.775 -4.337
53 H LYS 7 HN LYS 7 56.867 10.912 -2.213
54 HA LYS 7 HA LYS 7 56.013 12.962 -2.920
55 HB2 LYS 7 HB2 LYS 7 54.338 11.068 -4.632
56 HB3 LYS 7 HB1 LYS 7 54.065 12.826 -4.668
57 HG2 LYS 7 HG2 LYS 7 56.447 13.178 -5.281
58 HG3 LYS 7 HG1 LYS 7 56.700 11.415 -5.274
59 HD2 LYS 7 HD2 LYS 7 55.046 11.136 -7.067
60 HD3 LYS 7 HD1 LYS 7 54.696 12.881 -7.043
61 HE2 LYS 7 HE2 LYS 7 57.008 13.385 -7.707
62 HE3 LYS 7 HE1 LYS 7 57.420 11.655 -7.659
63 HZ1 LYS 7 HZ1 LYS 7 56.958 12.213 -9.900
64 HZ2 LYS 7 HZ2 LYS 7 55.520 13.020 -9.494
65 HZ3 LYS 7 HZ3 LYS 7 55.620 11.331 -9.347
66 H GLY 8 HN GLY 8 55.383 11.282 -0.895
67 HA2 GLY 8 HA1 GLY 8 53.985 10.621 0.698
68 HA3 GLY 8 HA2 GLY 8 53.760 12.401 0.909
69 H ALA 9 HN ALA 9 52.481 9.411 -0.320
70 HA ALA 9 HA ALA 9 50.452 8.829 -1.259
71 HB1 ALA 9 HB1 ALA 9 49.846 8.889 1.064
72 HB2 ALA 9 HB2 ALA 9 48.510 9.622 0.144
73 HB3 ALA 9 HB3 ALA 9 49.658 10.657 1.028
74 H ILE 10 HN ILE 10 51.646 10.775 -2.790
75 HA ILE 10 HA ILE 10 51.261 12.632 -4.149
76 HB ILE 10 HB ILE 10 48.897 12.247 -5.418
77 HG12 ILE 10 HG12 ILE 10 49.441 9.572 -4.035
78 HG13 ILE 10 HG11 ILE 10 48.066 10.642 -3.695
79 HG21 ILE 10 HG21 ILE 10 50.018 10.701 -6.921
80 HG22 ILE 10 HG22 ILE 10 51.156 10.208 -5.646
81 HG23 ILE 10 HG23 ILE 10 51.231 11.851 -6.324
82 HD11 ILE 10 HD1 ILE 10 47.122 9.119 -5.215
83 HD12 ILE 10 HD2 ILE 10 48.617 8.983 -6.165
84 HD13 ILE 10 HD3 ILE 10 47.611 10.446 -6.295
85 H HIS 11 HN HIS 11 47.782 12.353 -3.699
86 HA HIS 11 HA HIS 11 47.435 15.103 -3.229
87 HB2 HIS 11 HB2 HIS 11 45.620 12.970 -2.071
88 HB3 HIS 11 HB1 HIS 11 45.196 14.604 -2.643
89 HD1 HIS 11 HD1 HIS 11 44.688 11.316 -3.693
90 HD2 HIS 11 HD2 HIS 11 46.427 14.618 -5.627
91 HE1 HIS 11 HE1 HIS 11 44.531 10.895 -6.208
92 H GLY 12 HN GLY 12 48.988 12.887 -1.187
93 HA2 GLY 12 HA1 GLY 12 48.020 13.834 1.359
94 HA3 GLY 12 HA2 GLY 12 49.573 13.028 1.061
95 H GLY 13 HN GLY 13 49.427 15.500 -1.083
96 HA2 GLY 13 HA1 GLY 13 50.084 17.745 0.644
97 HA3 GLY 13 HA2 GLY 13 51.523 17.004 -0.086
98 H ARG 14 HN ARG 14 49.924 16.175 -2.499
99 HA ARG 14 HA ARG 14 50.471 18.550 -4.050
100 HB2 ARG 14 HB2 ARG 14 50.626 16.253 -4.974
101 HB3 ARG 14 HB1 ARG 14 48.871 16.067 -4.795
102 HG2 ARG 14 HG2 ARG 14 49.419 16.666 -7.113
103 HG3 ARG 14 HG1 ARG 14 48.518 17.990 -6.349
104 HD2 ARG 14 HD2 ARG 14 50.408 19.387 -6.244
105 HD3 ARG 14 HD1 ARG 14 51.550 18.019 -6.271
106 HE ARG 14 HE ARG 14 50.140 18.025 -8.743
107 HH11 ARG 14 HH11 ARG 14 51.758 18.324 -10.394
108 HH12 ARG 14 HH12 ARG 14 52.780 19.716 -10.265
109 HH21 ARG 14 HH21 ARG 14 51.713 20.528 -7.066
110 HH22 ARG 14 HH22 ARG 14 52.753 20.965 -8.381
111 H PHE 15 HN PHE 15 47.504 17.083 -2.693
112 HA PHE 15 HA PHE 15 45.492 18.463 -3.976
113 HB2 PHE 15 HB2 PHE 15 45.124 16.902 -2.100
114 HB3 PHE 15 HB1 PHE 15 45.751 18.117 -0.963
115 HD1 PHE 15 HD1 PHE 15 42.922 17.148 -3.127
116 HD2 PHE 15 HD2 PHE 15 44.495 20.200 -0.511
117 HE1 PHE 15 HE1 PHE 15 40.666 18.198 -2.995
118 HE2 PHE 15 HE2 PHE 15 42.239 21.249 -0.379
119 HZ PHE 15 HZ PHE 15 40.335 20.274 -1.658
120 H ILE 16 HN ILE 16 47.461 19.771 -1.261
121 HA ILE 16 HA ILE 16 46.179 22.331 -1.243
122 HB ILE 16 HB ILE 16 49.073 21.769 -0.458
123 HG12 ILE 16 HG12 ILE 16 46.496 21.411 1.139
124 HG13 ILE 16 HG11 ILE 16 47.546 20.099 0.553
125 HG21 ILE 16 HG21 ILE 16 47.059 23.723 0.726
126 HG22 ILE 16 HG22 ILE 16 48.183 24.178 -0.575
127 HG23 ILE 16 HG23 ILE 16 48.814 23.661 1.003
128 HD11 ILE 16 HD1 ILE 16 48.119 22.174 2.694
129 HD12 ILE 16 HD2 ILE 16 49.446 21.318 1.873
130 HD13 ILE 16 HD3 ILE 16 48.234 20.403 2.800
131 H HIS 17 HN HIS 17 49.659 22.121 -2.059
132 HA HIS 17 HA HIS 17 49.202 23.148 -4.780
133 HB2 HIS 17 HB2 HIS 17 50.199 24.970 -2.558
134 HB3 HIS 17 HB1 HIS 17 50.542 25.284 -4.276
135 HD1 HIS 17 HD1 HIS 17 48.091 25.963 -1.683
136 HD2 HIS 17 HD2 HIS 17 47.901 25.268 -5.826
137 HE1 HIS 17 HE1 HIS 17 45.856 26.886 -2.509
138 H GLY 18 HN GLY 18 50.500 20.907 -3.526
139 HA2 GLY 18 HA1 GLY 18 52.537 20.035 -4.780
140 HA3 GLY 18 HA2 GLY 18 53.392 21.463 -4.144
141 H MET 19 HN MET 19 52.330 21.670 -1.690
142 HA MET 19 HA MET 19 51.943 19.730 0.037
143 HB2 MET 19 HB2 MET 19 53.585 18.147 -0.365
144 HB3 MET 19 HB1 MET 19 54.748 19.348 -0.925
145 HG2 MET 19 HG2 MET 19 55.419 19.902 1.284
146 HG3 MET 19 HG1 MET 19 53.930 19.237 1.993
147 HE1 MET 19 HE1 MET 19 56.875 18.297 -0.362
148 HE2 MET 19 HE2 MET 19 57.711 17.059 0.606
149 HE3 MET 19 HE3 MET 19 57.567 18.723 1.222
150 H ILE 20 HN ILE 20 50.990 21.465 0.891
151 HA ILE 20 HA ILE 20 50.853 23.309 2.301
152 HB ILE 20 HB ILE 20 53.763 22.868 3.122
153 HG12 ILE 20 HG12 ILE 20 51.301 21.433 4.233
154 HG13 ILE 20 HG11 ILE 20 52.540 20.677 3.212
155 HG21 ILE 20 HG21 ILE 20 51.388 23.712 4.838
156 HG22 ILE 20 HG22 ILE 20 52.316 24.892 3.890
157 HG23 ILE 20 HG23 ILE 20 53.123 23.943 5.154
158 HD11 ILE 20 HD1 ILE 20 53.186 20.127 5.432
159 HD12 ILE 20 HD2 ILE 20 52.833 21.765 6.030
160 HD13 ILE 20 HD3 ILE 20 54.250 21.483 4.988
161 H GLN 21 HN GLN 21 51.986 23.007 -0.400
162 HA GLN 21 HA GLN 21 52.471 24.641 -2.045
163 HB2 GLN 21 HB2 GLN 21 52.069 26.457 -0.133
164 HB3 GLN 21 HB1 GLN 21 53.845 26.471 -0.036
165 HG2 GLN 21 HG2 GLN 21 53.977 26.961 -2.463
166 HG3 GLN 21 HG1 GLN 21 52.200 26.952 -2.561
167 HE21 GLN 21 HE21 GLN 21 51.017 28.763 -1.677
168 HE22 GLN 21 HE22 GLN 21 51.844 30.228 -1.139
169 H ASN 22 HN ASN 22 53.720 22.413 -0.924
170 HA ASN 22 HA ASN 22 55.724 21.316 -0.735
171 HB2 ASN 22 HB2 ASN 22 57.220 21.633 -2.721
172 HB3 ASN 22 HB1 ASN 22 55.500 21.329 -3.097
173 HD21 ASN 22 HD21 ASN 22 54.210 23.104 -3.956
174 HD22 ASN 22 HD22 ASN 22 54.977 24.584 -4.544
175 H HIS 23 HN HIS 23 55.707 22.816 1.204
176 HA HIS 23 HA HIS 23 57.768 24.872 1.280
177 HB2 HIS 23 HB2 HIS 23 55.885 24.770 2.887
178 HB3 HIS 23 HB1 HIS 23 56.538 23.250 3.546
179 HD1 HIS 23 HD1 HIS 23 58.033 23.523 5.517
180 HD2 HIS 23 HD2 HIS 23 57.993 26.956 3.088
181 HE1 HIS 23 HE1 HIS 23 59.522 25.267 6.641
182 H HIS 24 HN HIS 24 59.585 23.852 0.279
183 HA HIS 24 HA HIS 24 60.785 21.439 1.075
184 HB2 HIS 24 HB2 HIS 24 62.915 22.440 0.260
185 HB3 HIS 24 HB1 HIS 24 61.559 22.729 -0.856
186 HD1 HIS 24 HD1 HIS 24 60.750 24.901 1.785
187 HD2 HIS 24 HD2 HIS 24 63.801 24.997 -1.108
188 HE1 HIS 24 HE1 HIS 24 61.518 27.329 1.568
Start of MODEL 73
1 H1 PHE 1 HT1 PHE 1 61.533 7.308 5.799
2 H2 PHE 1 HT2 PHE 1 62.286 6.853 7.252
3 H3 PHE 1 HT3 PHE 1 60.660 7.345 7.251
4 HA PHE 1 HA PHE 1 61.823 4.799 6.696
5 HB2 PHE 1 HB2 PHE 1 59.546 4.063 7.302
6 HB3 PHE 1 HB1 PHE 1 60.180 5.229 8.488
7 HD1 PHE 1 HD1 PHE 1 57.781 4.712 5.708
8 HD2 PHE 1 HD2 PHE 1 59.280 7.498 8.644
9 HE1 PHE 1 HE1 PHE 1 55.832 6.206 5.284
10 HE2 PHE 1 HE2 PHE 1 57.331 8.992 8.221
11 HZ PHE 1 HZ PHE 1 55.580 8.320 6.579
12 H LEU 2 HN LEU 2 60.495 7.271 4.776
13 HA LEU 2 HA LEU 2 58.836 5.984 2.948
14 HB2 LEU 2 HB2 LEU 2 59.386 7.697 1.390
15 HB3 LEU 2 HB1 LEU 2 59.560 8.432 2.997
16 HG LEU 2 HG LEU 2 61.787 7.438 1.161
17 HD11 LEU 2 HD11 LEU 2 62.513 9.805 1.318
18 HD12 LEU 2 HD12 LEU 2 61.112 10.162 2.358
19 HD13 LEU 2 HD13 LEU 2 60.863 9.675 0.663
20 HD21 LEU 2 HD21 LEU 2 63.277 8.363 3.057
21 HD22 LEU 2 HD22 LEU 2 62.493 6.798 3.368
22 HD23 LEU 2 HD23 LEU 2 61.830 8.285 4.090
23 H GLY 3 HN GLY 3 59.541 5.623 0.525
24 HA2 GLY 3 HA1 GLY 3 62.005 4.564 -0.215
25 HA3 GLY 3 HA2 GLY 3 61.164 3.216 0.577
26 H ALA 4 HN ALA 4 58.631 4.818 -0.454
27 HA ALA 4 HA ALA 4 58.735 4.360 -3.337
28 HB1 ALA 4 HB1 ALA 4 57.099 2.545 -3.412
29 HB2 ALA 4 HB2 ALA 4 57.060 2.480 -1.634
30 HB3 ALA 4 HB3 ALA 4 58.543 2.029 -2.510
31 H LEU 5 HN LEU 5 56.000 3.982 -3.795
32 HA LEU 5 HA LEU 5 54.043 5.212 -3.943
33 HB2 LEU 5 HB2 LEU 5 54.629 6.257 -1.152
34 HB3 LEU 5 HB1 LEU 5 53.049 6.021 -1.933
35 HG LEU 5 HG LEU 5 55.009 3.824 -1.132
36 HD11 LEU 5 HD11 LEU 5 53.702 4.993 0.706
37 HD12 LEU 5 HD12 LEU 5 53.370 3.250 0.553
38 HD13 LEU 5 HD13 LEU 5 52.212 4.438 -0.092
39 HD21 LEU 5 HD21 LEU 5 53.899 3.029 -3.090
40 HD22 LEU 5 HD22 LEU 5 52.358 3.796 -2.632
41 HD23 LEU 5 HD23 LEU 5 52.944 2.369 -1.744
42 H ILE 6 HN ILE 6 55.858 7.430 -1.787
43 HA ILE 6 HA ILE 6 56.220 9.730 -2.004
44 HB ILE 6 HB ILE 6 56.992 9.418 -4.934
45 HG12 ILE 6 HG12 ILE 6 57.646 7.199 -3.958
46 HG13 ILE 6 HG11 ILE 6 59.036 8.179 -4.451
47 HG21 ILE 6 HG21 ILE 6 57.542 11.488 -3.768
48 HG22 ILE 6 HG22 ILE 6 59.048 10.600 -4.085
49 HG23 ILE 6 HG23 ILE 6 58.338 10.595 -2.455
50 HD11 ILE 6 HD1 ILE 6 59.656 8.665 -2.226
51 HD12 ILE 6 HD2 ILE 6 59.108 6.978 -2.121
52 HD13 ILE 6 HD3 ILE 6 58.039 8.290 -1.584
53 H LYS 7 HN LYS 7 56.099 11.154 -4.691
54 HA LYS 7 HA LYS 7 54.473 12.648 -5.435
55 HB2 LYS 7 HB2 LYS 7 52.880 10.053 -5.352
56 HB3 LYS 7 HB1 LYS 7 52.064 11.590 -5.719
57 HG2 LYS 7 HG2 LYS 7 52.784 10.386 -7.785
58 HG3 LYS 7 HG1 LYS 7 53.577 11.971 -7.621
59 HD2 LYS 7 HD2 LYS 7 55.625 10.966 -6.850
60 HD3 LYS 7 HD1 LYS 7 54.847 9.378 -6.650
61 HE2 LYS 7 HE2 LYS 7 56.218 9.502 -8.733
62 HE3 LYS 7 HE1 LYS 7 54.496 9.214 -9.078
63 HZ1 LYS 7 HZ1 LYS 7 54.195 11.393 -9.774
64 HZ2 LYS 7 HZ2 LYS 7 55.725 11.011 -10.405
65 HZ3 LYS 7 HZ3 LYS 7 55.595 11.961 -9.002
66 H GLY 8 HN GLY 8 55.295 11.892 -2.968
67 HA2 GLY 8 HA1 GLY 8 55.041 11.881 -0.775
68 HA3 GLY 8 HA2 GLY 8 54.377 13.536 -1.053
69 H ALA 9 HN ALA 9 53.663 10.141 -0.532
70 HA ALA 9 HA ALA 9 51.795 9.023 0.214
71 HB1 ALA 9 HB1 ALA 9 50.532 10.131 2.000
72 HB2 ALA 9 HB2 ALA 9 51.237 11.699 1.539
73 HB3 ALA 9 HB3 ALA 9 52.278 10.412 2.193
74 H ILE 10 HN ILE 10 51.321 9.470 -2.298
75 HA ILE 10 HA ILE 10 49.646 9.810 -3.864
76 HB ILE 10 HB ILE 10 48.162 9.325 -1.284
77 HG12 ILE 10 HG12 ILE 10 47.633 8.175 -4.050
78 HG13 ILE 10 HG11 ILE 10 48.983 7.609 -3.043
79 HG21 ILE 10 HG21 ILE 10 46.803 11.183 -2.104
80 HG22 ILE 10 HG22 ILE 10 45.929 9.657 -2.313
81 HG23 ILE 10 HG23 ILE 10 46.698 10.429 -3.713
82 HD11 ILE 10 HD1 ILE 10 47.256 6.095 -2.504
83 HD12 ILE 10 HD2 ILE 10 46.001 7.348 -2.544
84 HD13 ILE 10 HD3 ILE 10 47.143 7.278 -1.183
85 H HIS 11 HN HIS 11 50.869 11.997 -1.937
86 HA HIS 11 HA HIS 11 51.110 14.278 -2.201
87 HB2 HIS 11 HB2 HIS 11 50.197 13.888 -4.601
88 HB3 HIS 11 HB1 HIS 11 48.630 14.426 -3.957
89 HD1 HIS 11 HD1 HIS 11 50.320 16.427 -1.871
90 HD2 HIS 11 HD2 HIS 11 50.375 16.373 -6.074
91 HE1 HIS 11 HE1 HIS 11 51.030 18.754 -2.654
92 H GLY 12 HN GLY 12 49.373 12.710 -0.364
93 HA2 GLY 12 HA1 GLY 12 48.082 13.236 1.495
94 HA3 GLY 12 HA2 GLY 12 48.350 14.954 1.130
95 H GLY 13 HN GLY 13 46.862 12.471 -0.911
96 HA2 GLY 13 HA1 GLY 13 44.662 12.214 -1.618
97 HA3 GLY 13 HA2 GLY 13 44.146 13.369 -0.371
98 H ARG 14 HN ARG 14 46.324 13.548 -3.229
99 HA ARG 14 HA ARG 14 44.499 15.561 -4.458
100 HB2 ARG 14 HB2 ARG 14 47.184 16.146 -3.256
101 HB3 ARG 14 HB1 ARG 14 46.893 16.863 -4.853
102 HG2 ARG 14 HG2 ARG 14 44.804 17.135 -2.659
103 HG3 ARG 14 HG1 ARG 14 46.217 18.212 -2.685
104 HD2 ARG 14 HD2 ARG 14 45.637 19.103 -4.819
105 HD3 ARG 14 HD1 ARG 14 44.463 17.804 -5.138
106 HE ARG 14 HE ARG 14 42.878 19.023 -3.877
107 HH11 ARG 14 HH11 ARG 14 43.812 19.372 -1.273
108 HH12 ARG 14 HH12 ARG 14 44.321 21.024 -1.158
109 HH21 ARG 14 HH21 ARG 14 44.519 21.479 -4.589
110 HH22 ARG 14 HH22 ARG 14 44.722 22.216 -3.036
111 H PHE 15 HN PHE 15 46.775 13.005 -4.626
112 HA PHE 15 HA PHE 15 47.537 13.479 -7.435
113 HB2 PHE 15 HB2 PHE 15 49.054 12.286 -5.884
114 HB3 PHE 15 HB1 PHE 15 47.841 11.004 -5.684
115 HD1 PHE 15 HD1 PHE 15 49.562 12.890 -8.480
116 HD2 PHE 15 HD2 PHE 15 48.091 9.089 -7.044
117 HE1 PHE 15 HE1 PHE 15 50.426 11.777 -10.531
118 HE2 PHE 15 HE2 PHE 15 48.956 7.982 -9.098
119 HZ PHE 15 HZ PHE 15 50.139 9.321 -10.832
120 H ILE 16 HN ILE 16 45.191 11.598 -5.598
121 HA ILE 16 HA ILE 16 43.663 11.099 -8.112
122 HB ILE 16 HB ILE 16 43.169 8.720 -7.202
123 HG12 ILE 16 HG12 ILE 16 45.791 9.292 -5.737
124 HG13 ILE 16 HG11 ILE 16 44.198 9.149 -4.957
125 HG21 ILE 16 HG21 ILE 16 46.012 9.273 -8.158
126 HG22 ILE 16 HG22 ILE 16 44.585 9.244 -9.219
127 HG23 ILE 16 HG23 ILE 16 45.089 7.767 -8.368
128 HD11 ILE 16 HD1 ILE 16 44.099 6.803 -6.173
129 HD12 ILE 16 HD2 ILE 16 45.077 6.977 -4.698
130 HD13 ILE 16 HD3 ILE 16 45.865 6.995 -6.291
131 H HIS 17 HN HIS 17 43.029 13.063 -6.537
132 HA HIS 17 HA HIS 17 40.596 12.079 -5.099
133 HB2 HIS 17 HB2 HIS 17 42.429 12.444 -3.408
134 HB3 HIS 17 HB1 HIS 17 42.526 14.137 -3.950
135 HD1 HIS 17 HD1 HIS 17 40.874 15.773 -2.981
136 HD2 HIS 17 HD2 HIS 17 39.836 11.773 -2.212
137 HE1 HIS 17 HE1 HIS 17 38.849 15.799 -1.425
138 H GLY 18 HN GLY 18 42.503 14.567 -6.707
139 HA2 GLY 18 HA1 GLY 18 40.819 16.790 -6.649
140 HA3 GLY 18 HA2 GLY 18 41.768 16.303 -8.074
141 H MET 19 HN MET 19 40.443 13.760 -8.255
142 HA MET 19 HA MET 19 37.845 13.453 -8.602
143 HB2 MET 19 HB2 MET 19 38.640 15.626 -10.478
144 HB3 MET 19 HB1 MET 19 37.524 14.401 -11.098
145 HG2 MET 19 HG2 MET 19 35.763 15.108 -9.773
146 HG3 MET 19 HG1 MET 19 36.804 15.546 -8.406
147 HE1 MET 19 HE1 MET 19 34.255 16.978 -10.171
148 HE2 MET 19 HE2 MET 19 34.639 18.670 -9.772
149 HE3 MET 19 HE3 MET 19 34.738 17.412 -8.515
150 H ILE 20 HN ILE 20 40.736 12.684 -8.882
151 HA ILE 20 HA ILE 20 41.877 10.982 -9.941
152 HB ILE 20 HB ILE 20 39.046 10.067 -10.689
153 HG12 ILE 20 HG12 ILE 20 39.612 8.219 -9.112
154 HG13 ILE 20 HG11 ILE 20 41.188 8.983 -8.803
155 HG21 ILE 20 HG21 ILE 20 40.290 7.902 -11.353
156 HG22 ILE 20 HG22 ILE 20 41.757 8.907 -11.426
157 HG23 ILE 20 HG23 ILE 20 40.379 9.261 -12.495
158 HD11 ILE 20 HD1 ILE 20 39.222 9.451 -7.135
159 HD12 ILE 20 HD2 ILE 20 38.613 10.546 -8.400
160 HD13 ILE 20 HD3 ILE 20 40.217 10.821 -7.675
161 H GLN 21 HN GLN 21 39.920 13.376 -11.197
162 HA GLN 21 HA GLN 21 41.222 13.082 -13.960
163 HB2 GLN 21 HB2 GLN 21 38.513 14.257 -13.230
164 HB3 GLN 21 HB1 GLN 21 39.257 14.314 -14.844
165 HG2 GLN 21 HG2 GLN 21 39.270 11.883 -14.989
166 HG3 GLN 21 HG1 GLN 21 38.702 11.740 -13.308
167 HE21 GLN 21 HE21 GLN 21 37.601 13.956 -15.964
168 HE22 GLN 21 HE22 GLN 21 35.923 13.401 -15.915
169 H ASN 22 HN ASN 22 40.976 14.989 -11.073
170 HA ASN 22 HA ASN 22 42.070 17.374 -12.585
171 HB2 ASN 22 HB2 ASN 22 39.861 17.723 -11.417
172 HB3 ASN 22 HB1 ASN 22 40.681 17.365 -9.880
173 HD21 ASN 22 HD21 ASN 22 40.352 19.571 -9.085
174 HD22 ASN 22 HD22 ASN 22 41.292 20.910 -9.756
175 H HIS 23 HN HIS 23 42.381 15.115 -9.898
176 HA HIS 23 HA HIS 23 44.056 14.897 -8.281
177 HB2 HIS 23 HB2 HIS 23 46.295 14.627 -9.268
178 HB3 HIS 23 HB1 HIS 23 45.052 13.876 -10.298
179 HD1 HIS 23 HD1 HIS 23 47.301 16.943 -10.064
180 HD2 HIS 23 HD2 HIS 23 44.839 14.991 -12.859
181 HE1 HIS 23 HE1 HIS 23 47.649 18.092 -12.318
182 H HIS 24 HN HIS 24 43.037 17.681 -8.706
183 HA HIS 24 HA HIS 24 45.126 19.019 -7.123
184 HB2 HIS 24 HB2 HIS 24 45.871 19.398 -9.487
185 HB3 HIS 24 HB1 HIS 24 44.316 20.201 -9.808
186 HD1 HIS 24 HD1 HIS 24 47.700 20.954 -8.840
187 HD2 HIS 24 HD2 HIS 24 43.916 22.454 -7.784
188 HE1 HIS 24 HE1 HIS 24 48.063 23.238 -7.752
Start of MODEL 74
1 H1 PHE 1 HT1 PHE 1 62.710 1.768 2.781
2 H2 PHE 1 HT2 PHE 1 61.470 2.277 3.825
3 H3 PHE 1 HT3 PHE 1 61.904 3.229 2.486
4 HA PHE 1 HA PHE 1 60.812 1.983 1.019
5 HB2 PHE 1 HB2 PHE 1 61.280 -0.351 2.916
6 HB3 PHE 1 HB1 PHE 1 60.410 -0.460 1.366
7 HD1 PHE 1 HD1 PHE 1 61.597 -0.052 -0.782
8 HD2 PHE 1 HD2 PHE 1 63.696 -0.103 2.989
9 HE1 PHE 1 HE1 PHE 1 63.764 -0.272 -1.992
10 HE2 PHE 1 HE2 PHE 1 65.864 -0.323 1.779
11 HZ PHE 1 HZ PHE 1 65.903 -0.320 -0.712
12 H LEU 2 HN LEU 2 59.400 3.667 2.148
13 HA LEU 2 HA LEU 2 57.461 2.673 4.089
14 HB2 LEU 2 HB2 LEU 2 57.096 5.121 2.329
15 HB3 LEU 2 HB1 LEU 2 56.513 4.840 3.987
16 HG LEU 2 HG LEU 2 59.413 5.218 3.118
17 HD11 LEU 2 HD11 LEU 2 58.034 7.285 3.202
18 HD12 LEU 2 HD12 LEU 2 59.260 7.265 4.492
19 HD13 LEU 2 HD13 LEU 2 57.560 6.893 4.871
20 HD21 LEU 2 HD21 LEU 2 59.444 3.639 4.927
21 HD22 LEU 2 HD22 LEU 2 58.147 4.494 5.795
22 HD23 LEU 2 HD23 LEU 2 59.768 5.220 5.672
23 H GLY 3 HN GLY 3 55.131 2.600 3.719
24 HA2 GLY 3 HA1 GLY 3 54.489 0.893 1.513
25 HA3 GLY 3 HA2 GLY 3 53.327 1.675 2.603
26 H ALA 4 HN ALA 4 54.368 4.380 1.953
27 HA ALA 4 HA ALA 4 52.659 4.825 -0.389
28 HB1 ALA 4 HB1 ALA 4 52.621 6.421 1.434
29 HB2 ALA 4 HB2 ALA 4 53.289 7.214 -0.013
30 HB3 ALA 4 HB3 ALA 4 54.375 6.682 1.293
31 H LEU 5 HN LEU 5 53.236 5.461 -2.426
32 HA LEU 5 HA LEU 5 56.048 4.870 -3.194
33 HB2 LEU 5 HB2 LEU 5 53.960 3.997 -4.420
34 HB3 LEU 5 HB1 LEU 5 53.743 5.659 -5.006
35 HG LEU 5 HG LEU 5 56.295 5.444 -5.739
36 HD11 LEU 5 HD11 LEU 5 56.793 3.283 -4.719
37 HD12 LEU 5 HD12 LEU 5 56.798 3.084 -6.485
38 HD13 LEU 5 HD13 LEU 5 55.403 2.529 -5.532
39 HD21 LEU 5 HD21 LEU 5 55.568 4.536 -7.934
40 HD22 LEU 5 HD22 LEU 5 54.395 5.716 -7.301
41 HD23 LEU 5 HD23 LEU 5 54.049 3.973 -7.195
42 H ILE 6 HN ILE 6 56.121 7.078 -1.662
43 HA ILE 6 HA ILE 6 56.625 9.374 -1.619
44 HB ILE 6 HB ILE 6 57.629 9.140 -4.499
45 HG12 ILE 6 HG12 ILE 6 58.860 7.771 -2.062
46 HG13 ILE 6 HG11 ILE 6 58.221 6.968 -3.515
47 HG21 ILE 6 HG21 ILE 6 59.317 10.632 -3.750
48 HG22 ILE 6 HG22 ILE 6 59.073 10.204 -2.039
49 HG23 ILE 6 HG23 ILE 6 57.865 11.191 -2.890
50 HD11 ILE 6 HD1 ILE 6 59.925 8.370 -4.850
51 HD12 ILE 6 HD2 ILE 6 60.585 7.061 -3.840
52 HD13 ILE 6 HD3 ILE 6 60.674 8.748 -3.280
53 H LYS 7 HN LYS 7 56.826 10.883 -4.346
54 HA LYS 7 HA LYS 7 55.386 12.536 -5.151
55 HB2 LYS 7 HB2 LYS 7 53.156 10.457 -4.885
56 HB3 LYS 7 HB1 LYS 7 53.156 11.896 -5.934
57 HG2 LYS 7 HG2 LYS 7 55.249 10.862 -7.062
58 HG3 LYS 7 HG1 LYS 7 54.814 9.359 -6.214
59 HD2 LYS 7 HD2 LYS 7 53.067 10.909 -8.179
60 HD3 LYS 7 HD1 LYS 7 53.844 9.333 -8.465
61 HE2 LYS 7 HE2 LYS 7 51.560 9.998 -6.576
62 HE3 LYS 7 HE1 LYS 7 51.604 8.790 -7.883
63 HZ1 LYS 7 HZ1 LYS 7 51.834 7.823 -5.637
64 HZ2 LYS 7 HZ2 LYS 7 53.286 8.678 -5.429
65 HZ3 LYS 7 HZ3 LYS 7 53.164 7.489 -6.635
66 H GLY 8 HN GLY 8 56.080 11.723 -2.665
67 HA2 GLY 8 HA1 GLY 8 55.718 11.694 -0.470
68 HA3 GLY 8 HA2 GLY 8 55.334 13.436 -0.760
69 H ALA 9 HN ALA 9 54.102 10.195 -0.267
70 HA ALA 9 HA ALA 9 52.056 9.402 0.418
71 HB1 ALA 9 HB1 ALA 9 52.622 11.006 2.296
72 HB2 ALA 9 HB2 ALA 9 50.888 10.661 2.086
73 HB3 ALA 9 HB3 ALA 9 51.570 12.195 1.494
74 H ILE 10 HN ILE 10 51.897 9.716 -2.117
75 HA ILE 10 HA ILE 10 50.678 10.492 -3.964
76 HB ILE 10 HB ILE 10 48.160 9.946 -3.627
77 HG12 ILE 10 HG12 ILE 10 49.248 8.912 -0.962
78 HG13 ILE 10 HG11 ILE 10 48.217 10.349 -1.129
79 HG21 ILE 10 HG21 ILE 10 50.165 7.779 -2.857
80 HG22 ILE 10 HG22 ILE 10 49.920 8.363 -4.522
81 HG23 ILE 10 HG23 ILE 10 48.595 7.553 -3.661
82 HD11 ILE 10 HD1 ILE 10 46.656 8.658 -0.622
83 HD12 ILE 10 HD2 ILE 10 47.514 7.436 -1.584
84 HD13 ILE 10 HD3 ILE 10 46.579 8.714 -2.397
85 H HIS 11 HN HIS 11 51.280 12.730 -3.835
86 HA HIS 11 HA HIS 11 50.817 15.006 -3.668
87 HB2 HIS 11 HB2 HIS 11 49.284 14.170 -5.504
88 HB3 HIS 11 HB1 HIS 11 47.978 14.115 -4.298
89 HD1 HIS 11 HD1 HIS 11 50.126 16.858 -3.377
90 HD2 HIS 11 HD2 HIS 11 47.169 16.324 -6.317
91 HE1 HIS 11 HE1 HIS 11 49.326 19.180 -4.083
92 H GLY 12 HN GLY 12 50.227 13.187 -1.233
93 HA2 GLY 12 HA1 GLY 12 49.709 13.729 0.972
94 HA3 GLY 12 HA2 GLY 12 49.239 15.356 0.446
95 H GLY 13 HN GLY 13 48.135 11.957 0.091
96 HA2 GLY 13 HA1 GLY 13 45.993 11.084 0.103
97 HA3 GLY 13 HA2 GLY 13 45.696 12.227 1.423
98 H ARG 14 HN ARG 14 46.612 13.775 -1.470
99 HA ARG 14 HA ARG 14 43.862 14.814 -1.784
100 HB2 ARG 14 HB2 ARG 14 46.214 16.063 -1.964
101 HB3 ARG 14 HB1 ARG 14 46.149 15.509 -3.651
102 HG2 ARG 14 HG2 ARG 14 44.081 17.225 -2.198
103 HG3 ARG 14 HG1 ARG 14 45.159 17.737 -3.516
104 HD2 ARG 14 HD2 ARG 14 44.038 15.859 -4.916
105 HD3 ARG 14 HD1 ARG 14 42.794 15.839 -3.641
106 HE ARG 14 HE ARG 14 42.935 17.770 -5.719
107 HH11 ARG 14 HH11 ARG 14 40.513 17.629 -4.129
108 HH12 ARG 14 HH12 ARG 14 40.565 19.065 -3.161
109 HH21 ARG 14 HH21 ARG 14 43.950 19.607 -3.676
110 HH22 ARG 14 HH22 ARG 14 42.512 20.184 -2.905
111 H PHE 15 HN PHE 15 46.307 13.212 -3.862
112 HA PHE 15 HA PHE 15 44.541 12.811 -6.087
113 HB2 PHE 15 HB2 PHE 15 47.079 12.689 -6.082
114 HB3 PHE 15 HB1 PHE 15 46.930 11.092 -5.313
115 HD1 PHE 15 HD1 PHE 15 45.496 13.019 -8.236
116 HD2 PHE 15 HD2 PHE 15 46.878 9.209 -6.739
117 HE1 PHE 15 HE1 PHE 15 45.122 12.000 -10.477
118 HE2 PHE 15 HE2 PHE 15 46.502 8.196 -8.981
119 HZ PHE 15 HZ PHE 15 45.608 9.585 -10.845
120 H ILE 16 HN ILE 16 42.636 11.801 -5.843
121 HA ILE 16 HA ILE 16 41.081 10.287 -4.929
122 HB ILE 16 HB ILE 16 41.676 7.869 -5.722
123 HG12 ILE 16 HG12 ILE 16 43.946 9.430 -7.042
124 HG13 ILE 16 HG11 ILE 16 44.165 8.282 -5.703
125 HG21 ILE 16 HG21 ILE 16 40.292 9.574 -6.997
126 HG22 ILE 16 HG22 ILE 16 41.176 8.432 -8.032
127 HG23 ILE 16 HG23 ILE 16 41.787 10.090 -7.812
128 HD11 ILE 16 HD1 ILE 16 43.347 7.729 -8.569
129 HD12 ILE 16 HD2 ILE 16 42.896 6.588 -7.279
130 HD13 ILE 16 HD3 ILE 16 44.610 6.947 -7.594
131 H HIS 17 HN HIS 17 41.485 10.776 -2.712
132 HA HIS 17 HA HIS 17 41.971 8.424 -1.136
133 HB2 HIS 17 HB2 HIS 17 44.326 8.799 -1.647
134 HB3 HIS 17 HB1 HIS 17 44.180 10.512 -1.203
135 HD1 HIS 17 HD1 HIS 17 43.898 11.095 1.350
136 HD2 HIS 17 HD2 HIS 17 44.610 7.033 0.529
137 HE1 HIS 17 HE1 HIS 17 44.462 9.958 3.568
138 H GLY 18 HN GLY 18 42.227 12.020 -1.225
139 HA2 GLY 18 HA1 GLY 18 41.401 12.551 1.434
140 HA3 GLY 18 HA2 GLY 18 41.048 13.594 0.029
141 H MET 19 HN MET 19 39.554 12.253 -1.537
142 HA MET 19 HA MET 19 37.632 10.561 -0.746
143 HB2 MET 19 HB2 MET 19 37.096 13.046 0.648
144 HB3 MET 19 HB1 MET 19 35.778 12.735 -0.498
145 HG2 MET 19 HG2 MET 19 35.434 10.500 0.471
146 HG3 MET 19 HG1 MET 19 36.811 10.743 1.570
147 HE1 MET 19 HE1 MET 19 32.578 12.448 1.788
148 HE2 MET 19 HE2 MET 19 33.163 10.967 0.993
149 HE3 MET 19 HE3 MET 19 33.548 12.561 0.300
150 H ILE 20 HN ILE 20 38.258 10.071 -2.811
151 HA ILE 20 HA ILE 20 37.877 10.045 -5.100
152 HB ILE 20 HB ILE 20 35.564 12.006 -4.760
153 HG12 ILE 20 HG12 ILE 20 35.596 9.006 -4.179
154 HG13 ILE 20 HG11 ILE 20 35.193 10.306 -3.039
155 HG21 ILE 20 HG21 ILE 20 35.792 9.576 -6.585
156 HG22 ILE 20 HG22 ILE 20 36.448 11.159 -7.051
157 HG23 ILE 20 HG23 ILE 20 34.709 10.979 -6.742
158 HD11 ILE 20 HD1 ILE 20 33.084 9.464 -3.738
159 HD12 ILE 20 HD2 ILE 20 33.599 9.343 -5.435
160 HD13 ILE 20 HD3 ILE 20 33.308 10.941 -4.705
161 H GLN 21 HN GLN 21 39.155 12.018 -3.296
162 HA GLN 21 HA GLN 21 40.841 13.611 -3.881
163 HB2 GLN 21 HB2 GLN 21 40.178 13.318 -6.420
164 HB3 GLN 21 HB1 GLN 21 39.125 14.725 -6.140
165 HG2 GLN 21 HG2 GLN 21 41.094 16.010 -5.310
166 HG3 GLN 21 HG1 GLN 21 42.136 14.612 -5.668
167 HE21 GLN 21 HE21 GLN 21 41.394 17.552 -6.924
168 HE22 GLN 21 HE22 GLN 21 41.491 17.182 -8.649
169 H ASN 22 HN ASN 22 38.566 13.385 -2.244
170 HA ASN 22 HA ASN 22 37.076 14.622 -1.002
171 HB2 ASN 22 HB2 ASN 22 39.145 15.271 -0.003
172 HB3 ASN 22 HB1 ASN 22 39.402 16.541 -1.236
173 HD21 ASN 22 HD21 ASN 22 39.381 18.275 0.384
174 HD22 ASN 22 HD22 ASN 22 37.873 18.744 1.176
175 H HIS 23 HN HIS 23 36.284 14.512 -3.505
176 HA HIS 23 HA HIS 23 35.781 17.187 -4.608
177 HB2 HIS 23 HB2 HIS 23 35.900 15.080 -5.974
178 HB3 HIS 23 HB1 HIS 23 34.367 14.566 -5.230
179 HD1 HIS 23 HD1 HIS 23 35.832 17.382 -7.372
180 HD2 HIS 23 HD2 HIS 23 32.109 15.675 -6.419
181 HE1 HIS 23 HE1 HIS 23 34.078 18.509 -8.848
182 H HIS 24 HN HIS 24 33.777 18.272 -4.757
183 HA HIS 24 HA HIS 24 31.845 19.139 -3.810
184 HB2 HIS 24 HB2 HIS 24 30.976 16.965 -4.750
185 HB3 HIS 24 HB1 HIS 24 31.205 16.240 -3.141
186 HD1 HIS 24 HD1 HIS 24 29.823 17.366 -1.119
187 HD2 HIS 24 HD2 HIS 24 28.605 18.394 -5.011
188 HE1 HIS 24 HE1 HIS 24 27.511 18.436 -0.936
Start of MODEL 75
1 H1 PHE 1 HT1 PHE 1 63.426 3.153 1.406
2 H2 PHE 1 HT2 PHE 1 63.890 1.790 0.503
3 H3 PHE 1 HT3 PHE 1 64.355 1.936 2.131
4 HA PHE 1 HA PHE 1 62.399 0.424 1.461
5 HB2 PHE 1 HB2 PHE 1 62.418 2.384 3.790
6 HB3 PHE 1 HB1 PHE 1 61.333 0.978 3.677
7 HD1 PHE 1 HD1 PHE 1 64.864 2.080 4.015
8 HD2 PHE 1 HD2 PHE 1 62.178 -1.298 3.917
9 HE1 PHE 1 HE1 PHE 1 66.679 0.612 4.887
10 HE2 PHE 1 HE2 PHE 1 63.994 -2.766 4.789
11 HZ PHE 1 HZ PHE 1 66.263 -1.824 5.208
12 H LEU 2 HN LEU 2 61.979 2.194 -0.551
13 HA LEU 2 HA LEU 2 59.117 2.681 -0.284
14 HB2 LEU 2 HB2 LEU 2 59.514 5.219 -0.966
15 HB3 LEU 2 HB1 LEU 2 59.536 4.738 0.746
16 HG LEU 2 HG LEU 2 61.979 4.626 0.738
17 HD11 LEU 2 HD11 LEU 2 62.529 3.851 -1.451
18 HD12 LEU 2 HD12 LEU 2 63.162 5.510 -1.390
19 HD13 LEU 2 HD13 LEU 2 61.633 5.174 -2.236
20 HD21 LEU 2 HD21 LEU 2 60.928 7.169 -0.583
21 HD22 LEU 2 HD22 LEU 2 62.464 7.027 0.306
22 HD23 LEU 2 HD23 LEU 2 60.917 6.817 1.162
23 H GLY 3 HN GLY 3 58.351 3.977 -2.332
24 HA2 GLY 3 HA1 GLY 3 59.685 4.253 -4.699
25 HA3 GLY 3 HA2 GLY 3 59.468 2.492 -4.615
26 H ALA 4 HN ALA 4 57.046 4.324 -3.012
27 HA ALA 4 HA ALA 4 55.333 4.751 -5.329
28 HB1 ALA 4 HB1 ALA 4 54.627 2.452 -3.471
29 HB2 ALA 4 HB2 ALA 4 55.240 2.269 -5.132
30 HB3 ALA 4 HB3 ALA 4 53.665 3.048 -4.845
31 H LEU 5 HN LEU 5 55.908 4.534 -1.876
32 HA LEU 5 HA LEU 5 53.402 5.856 -1.130
33 HB2 LEU 5 HB2 LEU 5 55.973 5.146 0.322
34 HB3 LEU 5 HB1 LEU 5 54.712 6.128 1.103
35 HG LEU 5 HG LEU 5 53.063 4.355 0.792
36 HD11 LEU 5 HD11 LEU 5 53.634 3.369 -1.301
37 HD12 LEU 5 HD12 LEU 5 53.955 2.091 -0.109
38 HD13 LEU 5 HD13 LEU 5 55.306 3.034 -0.788
39 HD21 LEU 5 HD21 LEU 5 55.696 3.223 1.845
40 HD22 LEU 5 HD22 LEU 5 54.065 2.630 2.243
41 HD23 LEU 5 HD23 LEU 5 54.576 4.250 2.772
42 H ILE 6 HN ILE 6 56.272 6.870 -2.594
43 HA ILE 6 HA ILE 6 56.407 9.539 -1.298
44 HB ILE 6 HB ILE 6 58.097 10.026 -3.049
45 HG12 ILE 6 HG12 ILE 6 57.212 7.337 -4.197
46 HG13 ILE 6 HG11 ILE 6 57.049 8.927 -4.974
47 HG21 ILE 6 HG21 ILE 6 59.753 8.433 -2.366
48 HG22 ILE 6 HG22 ILE 6 58.530 7.167 -2.101
49 HG23 ILE 6 HG23 ILE 6 58.617 8.566 -1.004
50 HD11 ILE 6 HD1 ILE 6 59.640 9.085 -4.746
51 HD12 ILE 6 HD2 ILE 6 58.979 7.992 -5.987
52 HD13 ILE 6 HD3 ILE 6 59.576 7.330 -4.448
53 H LYS 7 HN LYS 7 56.868 10.950 -3.905
54 HA LYS 7 HA LYS 7 55.495 12.482 -5.001
55 HB2 LYS 7 HB2 LYS 7 54.664 10.288 -6.182
56 HB3 LYS 7 HB1 LYS 7 53.306 10.350 -5.040
57 HG2 LYS 7 HG2 LYS 7 52.425 11.507 -6.893
58 HG3 LYS 7 HG1 LYS 7 53.029 12.840 -5.884
59 HD2 LYS 7 HD2 LYS 7 55.049 13.025 -7.235
60 HD3 LYS 7 HD1 LYS 7 54.634 11.554 -8.144
61 HE2 LYS 7 HE2 LYS 7 54.079 13.663 -9.385
62 HE3 LYS 7 HE1 LYS 7 52.657 12.634 -9.084
63 HZ1 LYS 7 HZ1 LYS 7 52.696 15.212 -8.519
64 HZ2 LYS 7 HZ2 LYS 7 53.316 14.627 -7.049
65 HZ3 LYS 7 HZ3 LYS 7 51.800 14.099 -7.606
66 H GLY 8 HN GLY 8 55.819 11.747 -2.416
67 HA2 GLY 8 HA1 GLY 8 55.135 11.761 -0.309
68 HA3 GLY 8 HA2 GLY 8 54.630 13.447 -0.713
69 H ALA 9 HN ALA 9 53.663 10.099 -0.317
70 HA ALA 9 HA ALA 9 51.622 9.117 0.097
71 HB1 ALA 9 HB1 ALA 9 50.028 10.332 1.419
72 HB2 ALA 9 HB2 ALA 9 50.672 11.895 0.864
73 HB3 ALA 9 HB3 ALA 9 51.650 10.856 1.929
74 H ILE 10 HN ILE 10 52.067 9.576 -2.509
75 HA ILE 10 HA ILE 10 50.969 9.586 -4.520
76 HB ILE 10 HB ILE 10 48.730 9.206 -2.619
77 HG12 ILE 10 HG12 ILE 10 47.877 7.761 -4.527
78 HG13 ILE 10 HG11 ILE 10 49.285 8.289 -5.473
79 HG21 ILE 10 HG21 ILE 10 48.067 10.661 -5.214
80 HG22 ILE 10 HG22 ILE 10 47.784 11.261 -3.561
81 HG23 ILE 10 HG23 ILE 10 46.884 9.852 -4.161
82 HD11 ILE 10 HD1 ILE 10 50.754 7.458 -3.566
83 HD12 ILE 10 HD2 ILE 10 49.851 6.182 -4.415
84 HD13 ILE 10 HD3 ILE 10 49.289 6.767 -2.832
85 H HIS 11 HN HIS 11 49.656 12.114 -2.332
86 HA HIS 11 HA HIS 11 50.731 14.218 -3.977
87 HB2 HIS 11 HB2 HIS 11 48.850 13.511 -5.459
88 HB3 HIS 11 HB1 HIS 11 47.714 13.829 -4.126
89 HD1 HIS 11 HD1 HIS 11 50.412 15.669 -6.157
90 HD2 HIS 11 HD2 HIS 11 46.927 16.486 -3.949
91 HE1 HIS 11 HE1 HIS 11 49.873 18.147 -6.474
92 H GLY 12 HN GLY 12 49.645 12.926 -1.204
93 HA2 GLY 12 HA1 GLY 12 50.064 14.358 0.804
94 HA3 GLY 12 HA2 GLY 12 49.057 15.609 0.047
95 H GLY 13 HN GLY 13 48.124 12.303 -0.411
96 HA2 GLY 13 HA1 GLY 13 46.301 11.113 0.365
97 HA3 GLY 13 HA2 GLY 13 46.577 11.887 1.938
98 H ARG 14 HN ARG 14 45.188 12.481 -1.303
99 HA ARG 14 HA ARG 14 42.704 13.417 -0.172
100 HB2 ARG 14 HB2 ARG 14 44.006 15.413 0.381
101 HB3 ARG 14 HB1 ARG 14 44.619 15.512 -1.283
102 HG2 ARG 14 HG2 ARG 14 42.749 17.116 -0.837
103 HG3 ARG 14 HG1 ARG 14 42.367 15.969 -2.136
104 HD2 ARG 14 HD2 ARG 14 40.569 16.426 -0.272
105 HD3 ARG 14 HD1 ARG 14 40.857 14.749 -0.786
106 HE ARG 14 HE ARG 14 42.553 15.506 1.456
107 HH11 ARG 14 HH11 ARG 14 42.193 13.291 2.513
108 HH12 ARG 14 HH12 ARG 14 40.589 13.081 3.133
109 HH21 ARG 14 HH21 ARG 14 39.273 15.768 1.381
110 HH22 ARG 14 HH22 ARG 14 38.937 14.484 2.493
111 H PHE 15 HN PHE 15 44.898 12.735 -2.741
112 HA PHE 15 HA PHE 15 43.528 13.542 -5.043
113 HB2 PHE 15 HB2 PHE 15 45.745 12.273 -4.860
114 HB3 PHE 15 HB1 PHE 15 44.779 10.787 -4.728
115 HD1 PHE 15 HD1 PHE 15 45.047 13.890 -6.858
116 HD2 PHE 15 HD2 PHE 15 44.198 9.659 -6.730
117 HE1 PHE 15 HE1 PHE 15 44.796 13.864 -9.336
118 HE2 PHE 15 HE2 PHE 15 43.948 9.636 -9.207
119 HZ PHE 15 HZ PHE 15 44.197 11.748 -10.505
120 H ILE 16 HN ILE 16 42.597 11.214 -2.646
121 HA ILE 16 HA ILE 16 40.117 10.612 -4.228
122 HB ILE 16 HB ILE 16 41.526 8.539 -2.489
123 HG12 ILE 16 HG12 ILE 16 42.871 9.223 -4.593
124 HG13 ILE 16 HG11 ILE 16 42.484 7.505 -4.406
125 HG21 ILE 16 HG21 ILE 16 39.190 8.084 -2.697
126 HG22 ILE 16 HG22 ILE 16 40.000 7.006 -3.858
127 HG23 ILE 16 HG23 ILE 16 39.185 8.478 -4.432
128 HD11 ILE 16 HD1 ILE 16 42.122 8.455 -6.742
129 HD12 ILE 16 HD2 ILE 16 40.783 9.409 -6.074
130 HD13 ILE 16 HD3 ILE 16 40.712 7.633 -6.038
131 H HIS 17 HN HIS 17 41.456 9.663 -1.013
132 HA HIS 17 HA HIS 17 39.780 11.527 0.416
133 HB2 HIS 17 HB2 HIS 17 38.064 9.845 -0.483
134 HB3 HIS 17 HB1 HIS 17 38.838 8.637 0.567
135 HD1 HIS 17 HD1 HIS 17 38.611 8.926 3.152
136 HD2 HIS 17 HD2 HIS 17 36.609 11.868 0.909
137 HE1 HIS 17 HE1 HIS 17 37.050 10.170 4.748
138 H GLY 18 HN GLY 18 42.099 11.635 1.083
139 HA2 GLY 18 HA1 GLY 18 43.686 11.247 2.731
140 HA3 GLY 18 HA2 GLY 18 42.449 10.357 3.622
141 H MET 19 HN MET 19 44.075 9.886 0.506
142 HA MET 19 HA MET 19 44.888 7.894 -0.261
143 HB2 MET 19 HB2 MET 19 46.748 8.883 1.022
144 HB3 MET 19 HB1 MET 19 46.258 7.834 2.364
145 HG2 MET 19 HG2 MET 19 47.091 5.905 1.341
146 HG3 MET 19 HG1 MET 19 46.782 6.509 -0.305
147 HE1 MET 19 HE1 MET 19 50.557 5.913 -0.443
148 HE2 MET 19 HE2 MET 19 48.915 5.397 -0.897
149 HE3 MET 19 HE3 MET 19 49.556 5.004 0.715
150 H ILE 20 HN ILE 20 42.430 7.663 1.428
151 HA ILE 20 HA ILE 20 41.150 5.888 2.199
152 HB ILE 20 HB ILE 20 43.046 4.289 0.398
153 HG12 ILE 20 HG12 ILE 20 41.062 4.100 -1.026
154 HG13 ILE 20 HG11 ILE 20 40.071 4.934 0.194
155 HG21 ILE 20 HG21 ILE 20 42.407 2.717 2.088
156 HG22 ILE 20 HG22 ILE 20 41.292 2.439 0.731
157 HG23 ILE 20 HG23 ILE 20 40.747 3.357 2.157
158 HD11 ILE 20 HD1 ILE 20 41.123 7.019 -0.194
159 HD12 ILE 20 HD2 ILE 20 40.992 6.323 -1.824
160 HD13 ILE 20 HD3 ILE 20 42.546 6.270 -0.961
161 H GLN 21 HN GLN 21 44.435 6.422 2.683
162 HA GLN 21 HA GLN 21 44.590 4.428 4.981
163 HB2 GLN 21 HB2 GLN 21 46.442 4.573 3.193
164 HB3 GLN 21 HB1 GLN 21 46.844 6.158 3.892
165 HG2 GLN 21 HG2 GLN 21 47.120 5.080 6.126
166 HG3 GLN 21 HG1 GLN 21 46.790 3.497 5.381
167 HE21 GLN 21 HE21 GLN 21 48.257 4.620 2.835
168 HE22 GLN 21 HE22 GLN 21 49.960 4.397 3.250
169 H ASN 22 HN ASN 22 45.021 7.884 4.080
170 HA ASN 22 HA ASN 22 45.242 8.670 6.911
171 HB2 ASN 22 HB2 ASN 22 45.184 10.091 4.222
172 HB3 ASN 22 HB1 ASN 22 44.959 11.012 5.732
173 HD21 ASN 22 HD21 ASN 22 47.292 9.271 3.723
174 HD22 ASN 22 HD22 ASN 22 48.698 9.631 4.730
175 H HIS 23 HN HIS 23 42.901 8.200 4.332
176 HA HIS 23 HA HIS 23 40.581 8.432 4.342
177 HB2 HIS 23 HB2 HIS 23 40.716 6.829 6.183
178 HB3 HIS 23 HB1 HIS 23 40.975 8.147 7.347
179 HD1 HIS 23 HD1 HIS 23 38.946 9.475 8.151
180 HD2 HIS 23 HD2 HIS 23 38.037 6.734 5.093
181 HE1 HIS 23 HE1 HIS 23 36.402 9.394 7.934
182 H HIS 24 HN HIS 24 40.826 9.950 7.536
183 HA HIS 24 HA HIS 24 40.823 12.670 6.555
184 HB2 HIS 24 HB2 HIS 24 38.527 11.874 5.825
185 HB3 HIS 24 HB1 HIS 24 38.131 11.659 7.546
186 HD1 HIS 24 HD1 HIS 24 36.617 13.581 8.104
187 HD2 HIS 24 HD2 HIS 24 39.922 14.784 5.803
188 HE1 HIS 24 HE1 HIS 24 36.567 16.132 7.976
Start of MODEL 76
1 H1 PHE 1 HT1 PHE 1 62.930 -1.765 -6.654
2 H2 PHE 1 HT2 PHE 1 61.378 -1.318 -7.180
3 H3 PHE 1 HT3 PHE 1 61.579 -2.097 -5.684
4 HA PHE 1 HA PHE 1 62.719 -0.252 -4.779
5 HB2 PHE 1 HB2 PHE 1 62.403 0.884 -7.584
6 HB3 PHE 1 HB1 PHE 1 62.912 1.836 -6.168
7 HD1 PHE 1 HD1 PHE 1 65.077 1.401 -5.061
8 HD2 PHE 1 HD2 PHE 1 63.874 -0.796 -8.577
9 HE1 PHE 1 HE1 PHE 1 67.417 0.603 -5.362
10 HE2 PHE 1 HE2 PHE 1 66.215 -1.594 -8.878
11 HZ PHE 1 HZ PHE 1 68.000 -0.833 -7.314
12 H LEU 2 HN LEU 2 61.673 1.930 -4.259
13 HA LEU 2 HA LEU 2 58.868 1.444 -3.762
14 HB2 LEU 2 HB2 LEU 2 60.719 3.823 -3.405
15 HB3 LEU 2 HB1 LEU 2 58.978 3.964 -3.071
16 HG LEU 2 HG LEU 2 59.100 2.162 -1.424
17 HD11 LEU 2 HD11 LEU 2 61.973 1.943 -2.403
18 HD12 LEU 2 HD12 LEU 2 60.734 0.668 -2.322
19 HD13 LEU 2 HD13 LEU 2 61.462 1.295 -0.826
20 HD21 LEU 2 HD21 LEU 2 61.412 4.112 -1.021
21 HD22 LEU 2 HD22 LEU 2 60.496 3.272 0.254
22 HD23 LEU 2 HD23 LEU 2 59.698 4.508 -0.750
23 H GLY 3 HN GLY 3 57.097 2.892 -4.397
24 HA2 GLY 3 HA1 GLY 3 57.329 4.609 -6.687
25 HA3 GLY 3 HA2 GLY 3 56.782 3.000 -7.197
26 H ALA 4 HN ALA 4 56.056 4.483 -4.069
27 HA ALA 4 HA ALA 4 53.462 5.503 -4.855
28 HB1 ALA 4 HB1 ALA 4 53.440 2.902 -3.289
29 HB2 ALA 4 HB2 ALA 4 53.070 3.028 -5.025
30 HB3 ALA 4 HB3 ALA 4 52.034 3.848 -3.831
31 H LEU 5 HN LEU 5 55.746 4.379 -2.428
32 HA LEU 5 HA LEU 5 54.371 5.674 -0.193
33 HB2 LEU 5 HB2 LEU 5 57.102 4.409 -0.600
34 HB3 LEU 5 HB1 LEU 5 56.708 5.279 0.902
35 HG LEU 5 HG LEU 5 54.748 3.800 1.248
36 HD11 LEU 5 HD11 LEU 5 55.699 2.616 -1.389
37 HD12 LEU 5 HD12 LEU 5 54.069 3.181 -0.950
38 HD13 LEU 5 HD13 LEU 5 54.707 1.679 -0.246
39 HD21 LEU 5 HD21 LEU 5 57.328 2.264 0.698
40 HD22 LEU 5 HD22 LEU 5 56.016 1.753 1.785
41 HD23 LEU 5 HD23 LEU 5 56.983 3.194 2.174
42 H ILE 6 HN ILE 6 55.310 7.147 -2.778
43 HA ILE 6 HA ILE 6 56.221 9.583 -1.284
44 HB ILE 6 HB ILE 6 58.088 10.011 -2.855
45 HG12 ILE 6 HG12 ILE 6 57.359 7.274 -4.005
46 HG13 ILE 6 HG11 ILE 6 57.239 8.837 -4.844
47 HG21 ILE 6 HG21 ILE 6 59.666 8.446 -1.958
48 HG22 ILE 6 HG22 ILE 6 58.422 7.184 -1.779
49 HG23 ILE 6 HG23 ILE 6 58.397 8.618 -0.725
50 HD11 ILE 6 HD1 ILE 6 59.733 7.313 -4.027
51 HD12 ILE 6 HD2 ILE 6 59.794 9.062 -4.356
52 HD13 ILE 6 HD3 ILE 6 59.283 7.932 -5.632
53 H LYS 7 HN LYS 7 56.948 10.901 -3.862
54 HA LYS 7 HA LYS 7 55.700 12.388 -5.153
55 HB2 LYS 7 HB2 LYS 7 55.025 10.178 -6.366
56 HB3 LYS 7 HB1 LYS 7 53.541 10.239 -5.384
57 HG2 LYS 7 HG2 LYS 7 53.222 12.632 -6.260
58 HG3 LYS 7 HG1 LYS 7 54.515 12.280 -7.426
59 HD2 LYS 7 HD2 LYS 7 51.985 10.597 -7.124
60 HD3 LYS 7 HD1 LYS 7 52.172 11.899 -8.317
61 HE2 LYS 7 HE2 LYS 7 53.765 9.308 -8.133
62 HE3 LYS 7 HE1 LYS 7 52.694 9.839 -9.448
63 HZ1 LYS 7 HZ1 LYS 7 54.227 11.737 -9.791
64 HZ2 LYS 7 HZ2 LYS 7 54.945 10.227 -10.091
65 HZ3 LYS 7 HZ3 LYS 7 55.287 11.061 -8.651
66 H GLY 8 HN GLY 8 55.739 11.739 -2.526
67 HA2 GLY 8 HA1 GLY 8 54.831 11.818 -0.510
68 HA3 GLY 8 HA2 GLY 8 54.370 13.485 -1.025
69 H ALA 9 HN ALA 9 53.370 10.150 -0.621
70 HA ALA 9 HA ALA 9 51.295 9.149 -0.535
71 HB1 ALA 9 HB1 ALA 9 51.212 10.498 1.513
72 HB2 ALA 9 HB2 ALA 9 49.598 10.371 0.772
73 HB3 ALA 9 HB3 ALA 9 50.545 11.866 0.592
74 H ILE 10 HN ILE 10 51.863 10.014 -3.066
75 HA ILE 10 HA ILE 10 50.818 10.280 -5.088
76 HB ILE 10 HB ILE 10 48.571 9.520 -3.341
77 HG12 ILE 10 HG12 ILE 10 47.755 8.453 -5.505
78 HG13 ILE 10 HG11 ILE 10 49.152 9.192 -6.319
79 HG21 ILE 10 HG21 ILE 10 46.705 10.398 -4.710
80 HG22 ILE 10 HG22 ILE 10 47.847 11.410 -5.619
81 HG23 ILE 10 HG23 ILE 10 47.582 11.702 -3.880
82 HD11 ILE 10 HD1 ILE 10 49.513 6.798 -5.553
83 HD12 ILE 10 HD2 ILE 10 49.382 7.376 -3.877
84 HD13 ILE 10 HD3 ILE 10 50.704 7.952 -4.918
85 H HIS 11 HN HIS 11 49.445 12.433 -2.581
86 HA HIS 11 HA HIS 11 50.290 14.768 -4.169
87 HB2 HIS 11 HB2 HIS 11 48.083 14.258 -5.157
88 HB3 HIS 11 HB1 HIS 11 47.348 14.264 -3.535
89 HD1 HIS 11 HD1 HIS 11 46.768 16.505 -2.485
90 HD2 HIS 11 HD2 HIS 11 49.110 16.892 -5.957
91 HE1 HIS 11 HE1 HIS 11 46.813 18.984 -3.102
92 H GLY 12 HN GLY 12 49.404 13.110 -1.336
93 HA2 GLY 12 HA1 GLY 12 50.554 14.237 0.675
94 HA3 GLY 12 HA2 GLY 12 49.508 15.627 0.316
95 H GLY 13 HN GLY 13 48.548 12.248 -0.075
96 HA2 GLY 13 HA1 GLY 13 46.881 11.030 0.969
97 HA3 GLY 13 HA2 GLY 13 47.329 11.875 2.467
98 H ARG 14 HN ARG 14 45.776 12.682 -0.659
99 HA ARG 14 HA ARG 14 43.503 13.910 0.902
100 HB2 ARG 14 HB2 ARG 14 45.274 15.478 -0.355
101 HB3 ARG 14 HB1 ARG 14 44.331 15.029 -1.792
102 HG2 ARG 14 HG2 ARG 14 43.280 16.344 0.756
103 HG3 ARG 14 HG1 ARG 14 43.410 17.089 -0.853
104 HD2 ARG 14 HD2 ARG 14 41.857 15.180 -1.666
105 HD3 ARG 14 HD1 ARG 14 41.531 14.883 0.057
106 HE ARG 14 HE ARG 14 41.184 17.685 -0.714
107 HH11 ARG 14 HH11 ARG 14 39.775 14.550 -0.885
108 HH12 ARG 14 HH12 ARG 14 38.153 15.118 -0.668
109 HH21 ARG 14 HH21 ARG 14 39.084 18.435 -0.274
110 HH22 ARG 14 HH22 ARG 14 37.762 17.317 -0.323
111 H PHE 15 HN PHE 15 44.574 12.773 -2.339
112 HA PHE 15 HA PHE 15 41.929 12.234 -3.294
113 HB2 PHE 15 HB2 PHE 15 44.051 12.381 -4.686
114 HB3 PHE 15 HB1 PHE 15 44.466 10.761 -4.085
115 HD1 PHE 15 HD1 PHE 15 43.003 8.801 -4.612
116 HD2 PHE 15 HD2 PHE 15 42.306 12.696 -6.338
117 HE1 PHE 15 HE1 PHE 15 41.533 7.772 -6.340
118 HE2 PHE 15 HE2 PHE 15 40.833 11.667 -8.066
119 HZ PHE 15 HZ PHE 15 40.519 9.195 -8.116
120 H ILE 16 HN ILE 16 44.392 9.728 -2.603
121 HA ILE 16 HA ILE 16 42.219 7.902 -1.713
122 HB ILE 16 HB ILE 16 43.990 7.081 -3.259
123 HG12 ILE 16 HG12 ILE 16 44.077 5.758 -0.507
124 HG13 ILE 16 HG11 ILE 16 42.775 5.556 -1.702
125 HG21 ILE 16 HG21 ILE 16 46.029 7.003 -1.029
126 HG22 ILE 16 HG22 ILE 16 45.804 8.546 -1.885
127 HG23 ILE 16 HG23 ILE 16 46.267 7.085 -2.787
128 HD11 ILE 16 HD1 ILE 16 45.697 4.754 -1.990
129 HD12 ILE 16 HD2 ILE 16 44.551 4.776 -3.350
130 HD13 ILE 16 HD3 ILE 16 44.275 3.686 -1.971
131 H HIS 17 HN HIS 17 41.929 9.634 -0.003
132 HA HIS 17 HA HIS 17 43.168 8.622 2.488
133 HB2 HIS 17 HB2 HIS 17 44.760 10.375 1.793
134 HB3 HIS 17 HB1 HIS 17 43.423 11.541 1.651
135 HD1 HIS 17 HD1 HIS 17 45.139 9.315 4.264
136 HD2 HIS 17 HD2 HIS 17 42.704 12.741 4.063
137 HE1 HIS 17 HE1 HIS 17 44.985 10.280 6.625
138 H GLY 18 HN GLY 18 41.327 11.472 1.235
139 HA2 GLY 18 HA1 GLY 18 39.514 11.502 3.477
140 HA3 GLY 18 HA2 GLY 18 39.229 12.252 1.881
141 H MET 19 HN MET 19 39.043 10.583 0.099
142 HA MET 19 HA MET 19 38.243 8.031 0.367
143 HB2 MET 19 HB2 MET 19 36.127 9.629 1.531
144 HB3 MET 19 HB1 MET 19 35.503 8.865 0.058
145 HG2 MET 19 HG2 MET 19 36.077 6.660 0.876
146 HG3 MET 19 HG1 MET 19 36.973 7.344 2.254
147 HE1 MET 19 HE1 MET 19 35.365 5.282 2.998
148 HE2 MET 19 HE2 MET 19 34.049 5.753 4.099
149 HE3 MET 19 HE3 MET 19 35.696 6.372 4.366
150 H ILE 20 HN ILE 20 39.423 8.063 -1.473
151 HA ILE 20 HA ILE 20 39.651 8.158 -3.781
152 HB ILE 20 HB ILE 20 36.645 8.590 -4.068
153 HG12 ILE 20 HG12 ILE 20 38.116 5.996 -3.396
154 HG13 ILE 20 HG11 ILE 20 36.863 6.793 -2.419
155 HG21 ILE 20 HG21 ILE 20 36.924 7.463 -6.158
156 HG22 ILE 20 HG22 ILE 20 38.515 6.816 -5.696
157 HG23 ILE 20 HG23 ILE 20 38.327 8.546 -6.048
158 HD11 ILE 20 HD1 ILE 20 35.329 6.525 -4.494
159 HD12 ILE 20 HD2 ILE 20 35.707 5.059 -3.559
160 HD13 ILE 20 HD3 ILE 20 36.557 5.381 -5.089
161 H GLN 21 HN GLN 21 39.283 10.319 -1.783
162 HA GLN 21 HA GLN 21 39.968 12.617 -2.031
163 HB2 GLN 21 HB2 GLN 21 40.027 12.285 -4.654
164 HB3 GLN 21 HB1 GLN 21 38.355 12.884 -4.609
165 HG2 GLN 21 HG2 GLN 21 39.201 14.893 -3.309
166 HG3 GLN 21 HG1 GLN 21 40.856 14.322 -3.631
167 HE21 GLN 21 HE21 GLN 21 37.862 14.458 -5.698
168 HE22 GLN 21 HE22 GLN 21 38.648 15.355 -7.002
169 H ASN 22 HN ASN 22 37.850 11.049 -0.946
170 HA ASN 22 HA ASN 22 35.726 11.216 -0.069
171 HB2 ASN 22 HB2 ASN 22 36.932 12.758 1.342
172 HB3 ASN 22 HB1 ASN 22 36.651 14.093 0.186
173 HD21 ASN 22 HD21 ASN 22 35.062 15.452 1.040
174 HD22 ASN 22 HD22 ASN 22 33.580 14.884 1.814
175 H HIS 23 HN HIS 23 35.698 11.034 -2.719
176 HA HIS 23 HA HIS 23 34.307 11.399 -4.550
177 HB2 HIS 23 HB2 HIS 23 32.425 12.709 -2.548
178 HB3 HIS 23 HB1 HIS 23 31.998 12.031 -4.135
179 HD1 HIS 23 HD1 HIS 23 32.318 9.384 -4.434
180 HD2 HIS 23 HD2 HIS 23 32.440 10.834 -0.490
181 HE1 HIS 23 HE1 HIS 23 32.062 7.375 -2.876
182 H HIS 24 HN HIS 24 33.608 12.968 -6.090
183 HA HIS 24 HA HIS 24 33.956 14.970 -7.216
184 HB2 HIS 24 HB2 HIS 24 32.124 15.626 -5.651
185 HB3 HIS 24 HB1 HIS 24 33.353 16.184 -4.491
186 HD1 HIS 24 HD1 HIS 24 33.022 16.660 -8.301
187 HD2 HIS 24 HD2 HIS 24 33.543 18.916 -4.790
188 HE1 HIS 24 HE1 HIS 24 33.227 19.111 -8.994
Start of MODEL 77
1 H1 PHE 1 HT1 PHE 1 63.184 2.607 -11.016
2 H2 PHE 1 HT2 PHE 1 62.642 1.190 -10.252
3 H3 PHE 1 HT3 PHE 1 63.391 2.416 -9.346
4 HA PHE 1 HA PHE 1 61.316 3.635 -10.647
5 HB2 PHE 1 HB2 PHE 1 60.354 1.120 -9.236
6 HB3 PHE 1 HB1 PHE 1 59.388 2.308 -10.146
7 HD1 PHE 1 HD1 PHE 1 59.642 2.497 -12.633
8 HD2 PHE 1 HD2 PHE 1 61.581 -0.627 -10.371
9 HE1 PHE 1 HE1 PHE 1 60.028 1.214 -14.734
10 HE2 PHE 1 HE2 PHE 1 61.966 -1.910 -12.473
11 HZ PHE 1 HZ PHE 1 61.184 -0.991 -14.654
12 H LEU 2 HN LEU 2 59.481 4.030 -8.840
13 HA LEU 2 HA LEU 2 60.923 5.266 -6.651
14 HB2 LEU 2 HB2 LEU 2 57.924 4.800 -6.736
15 HB3 LEU 2 HB1 LEU 2 58.820 6.141 -5.984
16 HG LEU 2 HG LEU 2 58.527 5.583 -8.970
17 HD11 LEU 2 HD11 LEU 2 57.656 7.969 -7.282
18 HD12 LEU 2 HD12 LEU 2 56.580 6.628 -7.741
19 HD13 LEU 2 HD13 LEU 2 57.286 7.673 -8.997
20 HD21 LEU 2 HD21 LEU 2 60.230 7.583 -7.421
21 HD22 LEU 2 HD22 LEU 2 59.755 7.855 -9.116
22 HD23 LEU 2 HD23 LEU 2 60.747 6.443 -8.687
23 H GLY 3 HN GLY 3 61.335 4.589 -4.643
24 HA2 GLY 3 HA1 GLY 3 61.147 1.832 -3.985
25 HA3 GLY 3 HA2 GLY 3 61.483 3.148 -2.844
26 H ALA 4 HN ALA 4 58.929 4.521 -3.424
27 HA ALA 4 HA ALA 4 56.806 2.639 -2.726
28 HB1 ALA 4 HB1 ALA 4 58.055 2.837 -0.567
29 HB2 ALA 4 HB2 ALA 4 56.377 3.426 -0.478
30 HB3 ALA 4 HB3 ALA 4 57.723 4.585 -0.583
31 H LEU 5 HN LEU 5 54.913 4.164 -1.662
32 HA LEU 5 HA LEU 5 54.311 6.022 -3.842
33 HB2 LEU 5 HB2 LEU 5 52.723 5.684 -1.276
34 HB3 LEU 5 HB1 LEU 5 52.140 6.157 -2.890
35 HG LEU 5 HG LEU 5 53.236 3.425 -2.085
36 HD11 LEU 5 HD11 LEU 5 50.459 4.235 -3.045
37 HD12 LEU 5 HD12 LEU 5 50.897 4.059 -1.329
38 HD13 LEU 5 HD13 LEU 5 50.964 2.649 -2.415
39 HD21 LEU 5 HD21 LEU 5 52.385 4.603 -4.765
40 HD22 LEU 5 HD22 LEU 5 52.381 2.849 -4.463
41 HD23 LEU 5 HD23 LEU 5 53.901 3.764 -4.361
42 H ILE 6 HN ILE 6 55.977 7.603 -3.620
43 HA ILE 6 HA ILE 6 55.925 9.286 -1.120
44 HB ILE 6 HB ILE 6 57.514 9.900 -3.667
45 HG12 ILE 6 HG12 ILE 6 58.144 7.631 -3.371
46 HG13 ILE 6 HG11 ILE 6 59.414 8.553 -2.542
47 HG21 ILE 6 HG21 ILE 6 58.721 10.261 -0.943
48 HG22 ILE 6 HG22 ILE 6 57.282 11.254 -1.252
49 HG23 ILE 6 HG23 ILE 6 58.688 11.367 -2.332
50 HD11 ILE 6 HD1 ILE 6 57.869 8.194 -0.399
51 HD12 ILE 6 HD2 ILE 6 58.935 6.888 -0.954
52 HD13 ILE 6 HD3 ILE 6 57.205 6.851 -1.354
53 H LYS 7 HN LYS 7 56.681 11.658 -2.937
54 HA LYS 7 HA LYS 7 55.406 13.568 -3.375
55 HB2 LYS 7 HB2 LYS 7 53.499 11.518 -4.619
56 HB3 LYS 7 HB1 LYS 7 53.309 13.281 -4.771
57 HG2 LYS 7 HG2 LYS 7 55.679 13.322 -5.747
58 HG3 LYS 7 HG1 LYS 7 55.575 11.548 -5.840
59 HD2 LYS 7 HD2 LYS 7 53.707 13.553 -7.185
60 HD3 LYS 7 HD1 LYS 7 54.913 12.523 -7.992
61 HE2 LYS 7 HE2 LYS 7 52.314 11.708 -6.653
62 HE3 LYS 7 HE1 LYS 7 52.886 11.337 -8.295
63 HZ1 LYS 7 HZ1 LYS 7 54.817 10.210 -6.906
64 HZ2 LYS 7 HZ2 LYS 7 53.381 9.386 -7.286
65 HZ3 LYS 7 HZ3 LYS 7 53.585 10.078 -5.748
66 H GLY 8 HN GLY 8 55.465 11.827 -1.304
67 HA2 GLY 8 HA1 GLY 8 54.559 10.991 0.540
68 HA3 GLY 8 HA2 GLY 8 54.129 12.723 0.833
69 H ALA 9 HN ALA 9 53.041 9.725 -0.720
70 HA ALA 9 HA ALA 9 50.970 8.721 -0.742
71 HB1 ALA 9 HB1 ALA 9 50.816 9.830 1.628
72 HB2 ALA 9 HB2 ALA 9 49.329 9.245 0.845
73 HB3 ALA 9 HB3 ALA 9 49.716 10.980 0.836
74 H ILE 10 HN ILE 10 51.386 9.477 -2.986
75 HA ILE 10 HA ILE 10 50.815 10.719 -4.897
76 HB ILE 10 HB ILE 10 48.192 10.416 -5.265
77 HG12 ILE 10 HG12 ILE 10 48.720 8.617 -2.846
78 HG13 ILE 10 HG11 ILE 10 47.767 10.114 -2.789
79 HG21 ILE 10 HG21 ILE 10 49.959 7.970 -4.799
80 HG22 ILE 10 HG22 ILE 10 50.035 8.996 -6.251
81 HG23 ILE 10 HG23 ILE 10 48.556 8.086 -5.885
82 HD11 ILE 10 HD1 ILE 10 46.382 8.999 -4.750
83 HD12 ILE 10 HD2 ILE 10 46.097 8.480 -3.073
84 HD13 ILE 10 HD3 ILE 10 47.105 7.487 -4.148
85 H HIS 11 HN HIS 11 47.636 11.506 -3.766
86 HA HIS 11 HA HIS 11 47.555 14.107 -4.576
87 HB2 HIS 11 HB2 HIS 11 45.825 14.512 -2.852
88 HB3 HIS 11 HB1 HIS 11 45.612 12.953 -3.680
89 HD1 HIS 11 HD1 HIS 11 45.209 11.026 -2.156
90 HD2 HIS 11 HD2 HIS 11 47.368 14.100 -0.267
91 HE1 HIS 11 HE1 HIS 11 45.639 10.286 0.252
92 H GLY 12 HN GLY 12 49.549 12.965 -1.979
93 HA2 GLY 12 HA1 GLY 12 49.701 15.177 -0.269
94 HA3 GLY 12 HA2 GLY 12 51.090 14.170 -0.716
95 H GLY 13 HN GLY 13 50.328 15.044 -3.608
96 HA2 GLY 13 HA1 GLY 13 51.105 17.871 -3.641
97 HA3 GLY 13 HA2 GLY 13 52.371 16.757 -4.199
98 H ARG 14 HN ARG 14 50.620 14.788 -5.349
99 HA ARG 14 HA ARG 14 50.445 15.658 -7.988
100 HB2 ARG 14 HB2 ARG 14 50.154 13.297 -7.079
101 HB3 ARG 14 HB1 ARG 14 48.472 13.735 -6.726
102 HG2 ARG 14 HG2 ARG 14 48.378 12.708 -8.873
103 HG3 ARG 14 HG1 ARG 14 48.290 14.449 -9.201
104 HD2 ARG 14 HD2 ARG 14 50.515 14.534 -10.012
105 HD3 ARG 14 HD1 ARG 14 50.970 13.008 -9.218
106 HE ARG 14 HE ARG 14 49.572 13.286 -11.795
107 HH11 ARG 14 HH11 ARG 14 48.052 11.329 -10.037
108 HH12 ARG 14 HH12 ARG 14 48.806 9.831 -10.464
109 HH21 ARG 14 HH21 ARG 14 51.553 11.336 -11.953
110 HH22 ARG 14 HH22 ARG 14 50.789 9.834 -11.549
111 H PHE 15 HN PHE 15 47.779 15.612 -5.602
112 HA PHE 15 HA PHE 15 45.756 16.681 -7.196
113 HB2 PHE 15 HB2 PHE 15 45.618 15.885 -4.772
114 HB3 PHE 15 HB1 PHE 15 46.204 17.499 -4.304
115 HD1 PHE 15 HD1 PHE 15 43.382 15.562 -5.681
116 HD2 PHE 15 HD2 PHE 15 44.835 19.521 -4.760
117 HE1 PHE 15 HE1 PHE 15 41.071 16.465 -5.914
118 HE2 PHE 15 HE2 PHE 15 42.525 20.423 -4.991
119 HZ PHE 15 HZ PHE 15 40.659 18.909 -5.648
120 H ILE 16 HN ILE 16 48.561 18.310 -5.811
121 HA ILE 16 HA ILE 16 47.592 20.870 -7.084
122 HB ILE 16 HB ILE 16 48.834 22.121 -5.389
123 HG12 ILE 16 HG12 ILE 16 49.323 19.354 -4.183
124 HG13 ILE 16 HG11 ILE 16 50.558 20.475 -4.800
125 HG21 ILE 16 HG21 ILE 16 46.986 20.152 -3.983
126 HG22 ILE 16 HG22 ILE 16 46.380 21.390 -5.109
127 HG23 ILE 16 HG23 ILE 16 47.230 21.878 -3.625
128 HD11 ILE 16 HD1 ILE 16 50.610 20.793 -2.448
129 HD12 ILE 16 HD2 ILE 16 48.837 20.747 -2.314
130 HD13 ILE 16 HD3 ILE 16 49.638 22.159 -3.045
131 H HIS 17 HN HIS 17 49.107 18.799 -8.358
132 HA HIS 17 HA HIS 17 51.544 20.427 -8.999
133 HB2 HIS 17 HB2 HIS 17 52.133 18.384 -7.525
134 HB3 HIS 17 HB1 HIS 17 51.628 17.388 -8.905
135 HD1 HIS 17 HD1 HIS 17 52.956 20.404 -10.317
136 HD2 HIS 17 HD2 HIS 17 54.689 16.973 -8.610
137 HE1 HIS 17 HE1 HIS 17 55.368 20.275 -11.149
138 H GLY 18 HN GLY 18 49.047 18.053 -9.780
139 HA2 GLY 18 HA1 GLY 18 49.622 17.529 -12.491
140 HA3 GLY 18 HA2 GLY 18 47.974 17.702 -11.824
141 H MET 19 HN MET 19 47.951 20.214 -10.974
142 HA MET 19 HA MET 19 48.777 22.330 -12.383
143 HB2 MET 19 HB2 MET 19 47.061 20.735 -14.159
144 HB3 MET 19 HB1 MET 19 46.559 22.423 -14.034
145 HG2 MET 19 HG2 MET 19 49.478 21.795 -14.563
146 HG3 MET 19 HG1 MET 19 48.299 21.729 -15.893
147 HE1 MET 19 HE1 MET 19 50.203 25.084 -16.386
148 HE2 MET 19 HE2 MET 19 49.403 23.770 -17.282
149 HE3 MET 19 HE3 MET 19 50.653 23.390 -16.073
150 H ILE 20 HN ILE 20 47.424 21.064 -10.071
151 HA ILE 20 HA ILE 20 45.892 21.741 -8.486
152 HB ILE 20 HB ILE 20 46.236 24.438 -9.904
153 HG12 ILE 20 HG12 ILE 20 47.463 25.013 -7.843
154 HG13 ILE 20 HG11 ILE 20 47.113 23.405 -7.169
155 HG21 ILE 20 HG21 ILE 20 44.043 24.594 -8.998
156 HG22 ILE 20 HG22 ILE 20 45.086 25.304 -7.745
157 HG23 ILE 20 HG23 ILE 20 44.477 23.641 -7.558
158 HD11 ILE 20 HD1 ILE 20 48.538 23.681 -9.838
159 HD12 ILE 20 HD2 ILE 20 48.547 22.311 -8.703
160 HD13 ILE 20 HD3 ILE 20 49.437 23.797 -8.308
161 H GLN 21 HN GLN 21 45.596 21.574 -11.790
162 HA GLN 21 HA GLN 21 42.543 21.507 -11.567
163 HB2 GLN 21 HB2 GLN 21 44.207 22.597 -13.868
164 HB3 GLN 21 HB1 GLN 21 42.440 22.383 -13.878
165 HG2 GLN 21 HG2 GLN 21 42.214 23.930 -11.979
166 HG3 GLN 21 HG1 GLN 21 43.983 24.108 -11.891
167 HE21 GLN 21 HE21 GLN 21 41.321 25.760 -12.929
168 HE22 GLN 21 HE22 GLN 21 42.018 26.605 -14.315
169 H ASN 22 HN ASN 22 45.494 19.872 -12.544
170 HA ASN 22 HA ASN 22 43.845 17.956 -14.201
171 HB2 ASN 22 HB2 ASN 22 46.849 18.378 -14.026
172 HB3 ASN 22 HB1 ASN 22 46.057 17.099 -14.966
173 HD21 ASN 22 HD21 ASN 22 47.631 18.941 -16.370
174 HD22 ASN 22 HD22 ASN 22 46.580 20.023 -17.290
175 H HIS 23 HN HIS 23 45.987 18.304 -11.374
176 HA HIS 23 HA HIS 23 46.453 16.764 -9.682
177 HB2 HIS 23 HB2 HIS 23 44.092 17.007 -9.201
178 HB3 HIS 23 HB1 HIS 23 43.658 15.869 -10.493
179 HD1 HIS 23 HD1 HIS 23 46.652 14.875 -8.540
180 HD2 HIS 23 HD2 HIS 23 42.501 14.239 -8.348
181 HE1 HIS 23 HE1 HIS 23 46.255 12.923 -6.939
182 H HIS 24 HN HIS 24 44.516 14.165 -10.798
183 HA HIS 24 HA HIS 24 46.853 12.485 -11.185
184 HB2 HIS 24 HB2 HIS 24 45.170 10.755 -11.820
185 HB3 HIS 24 HB1 HIS 24 44.783 11.558 -10.279
186 HD1 HIS 24 HD1 HIS 24 42.777 13.228 -10.229
187 HD2 HIS 24 HD2 HIS 24 43.325 11.257 -13.903
188 HE1 HIS 24 HE1 HIS 24 40.693 13.661 -11.644
Start of MODEL 78
1 H1 PHE 1 HT1 PHE 1 54.181 0.055 -12.667
2 H2 PHE 1 HT2 PHE 1 55.721 0.572 -12.171
3 H3 PHE 1 HT3 PHE 1 54.641 1.671 -12.886
4 HA PHE 1 HA PHE 1 53.579 2.075 -11.025
5 HB2 PHE 1 HB2 PHE 1 52.505 -0.154 -11.151
6 HB3 PHE 1 HB1 PHE 1 53.910 -0.872 -10.329
7 HD1 PHE 1 HD1 PHE 1 51.327 1.842 -9.941
8 HD2 PHE 1 HD2 PHE 1 53.965 -0.940 -7.955
9 HE1 PHE 1 HE1 PHE 1 50.341 2.474 -7.741
10 HE2 PHE 1 HE2 PHE 1 52.977 -0.307 -5.758
11 HZ PHE 1 HZ PHE 1 51.135 1.366 -5.656
12 H LEU 2 HN LEU 2 54.112 2.650 -8.867
13 HA LEU 2 HA LEU 2 56.987 2.795 -8.428
14 HB2 LEU 2 HB2 LEU 2 54.852 3.463 -6.374
15 HB3 LEU 2 HB1 LEU 2 56.459 4.198 -6.592
16 HG LEU 2 HG LEU 2 54.075 4.437 -8.481
17 HD11 LEU 2 HD11 LEU 2 55.561 6.475 -6.764
18 HD12 LEU 2 HD12 LEU 2 53.937 5.823 -6.435
19 HD13 LEU 2 HD13 LEU 2 54.215 6.837 -7.872
20 HD21 LEU 2 HD21 LEU 2 55.665 6.113 -9.637
21 HD22 LEU 2 HD22 LEU 2 56.026 4.389 -9.874
22 HD23 LEU 2 HD23 LEU 2 56.975 5.344 -8.710
23 H GLY 3 HN GLY 3 56.831 2.602 -5.500
24 HA2 GLY 3 HA1 GLY 3 56.054 -0.078 -4.776
25 HA3 GLY 3 HA2 GLY 3 57.788 -0.014 -5.150
26 H ALA 4 HN ALA 4 56.183 2.811 -3.861
27 HA ALA 4 HA ALA 4 56.648 2.208 -1.070
28 HB1 ALA 4 HB1 ALA 4 59.009 2.421 -1.911
29 HB2 ALA 4 HB2 ALA 4 58.573 3.593 -0.642
30 HB3 ALA 4 HB3 ALA 4 58.643 4.108 -2.345
31 H LEU 5 HN LEU 5 55.692 4.176 -3.693
32 HA LEU 5 HA LEU 5 54.439 6.129 -3.806
33 HB2 LEU 5 HB2 LEU 5 53.548 5.514 -0.968
34 HB3 LEU 5 HB1 LEU 5 52.637 6.326 -2.262
35 HG LEU 5 HG LEU 5 53.509 3.399 -2.257
36 HD11 LEU 5 HD11 LEU 5 51.664 3.979 -0.668
37 HD12 LEU 5 HD12 LEU 5 51.120 2.926 -1.996
38 HD13 LEU 5 HD13 LEU 5 50.744 4.665 -2.028
39 HD21 LEU 5 HD21 LEU 5 51.877 3.372 -4.272
40 HD22 LEU 5 HD22 LEU 5 53.469 4.118 -4.541
41 HD23 LEU 5 HD23 LEU 5 52.039 5.145 -4.277
42 H ILE 6 HN ILE 6 55.850 7.800 -3.910
43 HA ILE 6 HA ILE 6 56.182 9.393 -1.393
44 HB ILE 6 HB ILE 6 58.658 9.657 -1.794
45 HG12 ILE 6 HG12 ILE 6 58.221 7.354 -3.754
46 HG13 ILE 6 HG11 ILE 6 58.742 9.006 -4.164
47 HG21 ILE 6 HG21 ILE 6 57.617 7.949 -0.173
48 HG22 ILE 6 HG22 ILE 6 59.301 7.646 -0.657
49 HG23 ILE 6 HG23 ILE 6 57.981 6.713 -1.400
50 HD11 ILE 6 HD1 ILE 6 60.272 6.857 -2.660
51 HD12 ILE 6 HD2 ILE 6 60.723 8.575 -2.526
52 HD13 ILE 6 HD3 ILE 6 60.764 7.762 -4.110
53 H LYS 7 HN LYS 7 54.683 9.602 -3.806
54 HA LYS 7 HA LYS 7 55.940 12.057 -4.994
55 HB2 LYS 7 HB2 LYS 7 53.120 10.919 -5.395
56 HB3 LYS 7 HB1 LYS 7 53.897 12.194 -6.362
57 HG2 LYS 7 HG2 LYS 7 55.028 9.372 -6.158
58 HG3 LYS 7 HG1 LYS 7 53.853 9.842 -7.406
59 HD2 LYS 7 HD2 LYS 7 55.448 11.728 -8.052
60 HD3 LYS 7 HD1 LYS 7 56.644 10.984 -6.965
61 HE2 LYS 7 HE2 LYS 7 55.336 9.702 -9.399
62 HE3 LYS 7 HE1 LYS 7 57.046 10.162 -9.217
63 HZ1 LYS 7 HZ1 LYS 7 57.347 8.522 -7.555
64 HZ2 LYS 7 HZ2 LYS 7 56.530 7.756 -8.832
65 HZ3 LYS 7 HZ3 LYS 7 55.684 8.214 -7.432
66 H GLY 8 HN GLY 8 55.625 11.282 -2.421
67 HA2 GLY 8 HA1 GLY 8 55.116 11.722 -0.397
68 HA3 GLY 8 HA2 GLY 8 54.812 13.431 -0.916
69 H ALA 9 HN ALA 9 53.425 10.193 -0.671
70 HA ALA 9 HA ALA 9 51.288 9.431 -0.363
71 HB1 ALA 9 HB1 ALA 9 49.763 10.936 0.997
72 HB2 ALA 9 HB2 ALA 9 51.063 12.150 0.968
73 HB3 ALA 9 HB3 ALA 9 51.336 10.573 1.743
74 H ILE 10 HN ILE 10 51.393 9.696 -2.802
75 HA ILE 10 HA ILE 10 50.515 10.459 -4.793
76 HB ILE 10 HB ILE 10 47.774 10.901 -4.382
77 HG12 ILE 10 HG12 ILE 10 48.791 9.094 -2.128
78 HG13 ILE 10 HG11 ILE 10 47.903 10.628 -1.961
79 HG21 ILE 10 HG21 ILE 10 47.453 8.626 -5.110
80 HG22 ILE 10 HG22 ILE 10 49.025 8.120 -4.451
81 HG23 ILE 10 HG23 ILE 10 48.953 9.186 -5.873
82 HD11 ILE 10 HD1 ILE 10 46.216 9.009 -1.667
83 HD12 ILE 10 HD2 ILE 10 46.889 7.940 -2.921
84 HD13 ILE 10 HD3 ILE 10 46.053 9.440 -3.386
85 H HIS 11 HN HIS 11 47.991 12.349 -3.258
86 HA HIS 11 HA HIS 11 49.400 14.844 -4.215
87 HB2 HIS 11 HB2 HIS 11 47.281 14.246 -5.400
88 HB3 HIS 11 HB1 HIS 11 46.420 14.341 -3.847
89 HD1 HIS 11 HD1 HIS 11 45.163 16.321 -5.404
90 HD2 HIS 11 HD2 HIS 11 48.947 17.131 -3.766
91 HE1 HIS 11 HE1 HIS 11 45.496 18.854 -5.466
92 H GLY 12 HN GLY 12 49.791 13.489 -1.653
93 HA2 GLY 12 HA1 GLY 12 50.166 14.297 0.504
94 HA3 GLY 12 HA2 GLY 12 49.364 15.819 0.064
95 H GLY 13 HN GLY 13 48.267 12.408 0.016
96 HA2 GLY 13 HA1 GLY 13 46.345 11.467 0.899
97 HA3 GLY 13 HA2 GLY 13 46.675 12.467 2.329
98 H ARG 14 HN ARG 14 46.214 13.986 -0.768
99 HA ARG 14 HA ARG 14 43.738 15.277 0.267
100 HB2 ARG 14 HB2 ARG 14 45.524 16.647 -0.788
101 HB3 ARG 14 HB1 ARG 14 45.325 15.733 -2.296
102 HG2 ARG 14 HG2 ARG 14 44.090 17.846 -2.441
103 HG3 ARG 14 HG1 ARG 14 42.943 16.492 -2.425
104 HD2 ARG 14 HD2 ARG 14 42.206 16.975 -0.243
105 HD3 ARG 14 HD1 ARG 14 43.711 17.825 0.190
106 HE ARG 14 HE ARG 14 42.366 19.237 -1.926
107 HH11 ARG 14 HH11 ARG 14 42.378 21.419 -0.933
108 HH12 ARG 14 HH12 ARG 14 41.459 21.580 0.525
109 HH21 ARG 14 HH21 ARG 14 41.089 18.163 0.981
110 HH22 ARG 14 HH22 ARG 14 40.728 19.736 1.609
111 H PHE 15 HN PHE 15 44.841 12.875 -2.028
112 HA PHE 15 HA PHE 15 42.684 12.796 -3.839
113 HB2 PHE 15 HB2 PHE 15 44.769 11.369 -3.882
114 HB3 PHE 15 HB1 PHE 15 44.023 10.356 -2.622
115 HD1 PHE 15 HD1 PHE 15 42.211 8.834 -3.138
116 HD2 PHE 15 HD2 PHE 15 43.704 11.555 -6.138
117 HE1 PHE 15 HE1 PHE 15 40.923 7.612 -4.886
118 HE2 PHE 15 HE2 PHE 15 42.416 10.332 -7.887
119 HZ PHE 15 HZ PHE 15 41.069 8.329 -7.268
120 H ILE 16 HN ILE 16 42.955 11.254 -0.608
121 HA ILE 16 HA ILE 16 40.382 9.990 -0.729
122 HB ILE 16 HB ILE 16 41.829 10.922 1.791
123 HG12 ILE 16 HG12 ILE 16 42.101 8.315 0.224
124 HG13 ILE 16 HG11 ILE 16 43.311 9.618 0.252
125 HG21 ILE 16 HG21 ILE 16 39.944 8.576 1.284
126 HG22 ILE 16 HG22 ILE 16 39.435 10.122 2.000
127 HG23 ILE 16 HG23 ILE 16 40.605 9.092 2.851
128 HD11 ILE 16 HD1 ILE 16 44.118 8.144 1.906
129 HD12 ILE 16 HD2 ILE 16 42.486 7.738 2.483
130 HD13 ILE 16 HD3 ILE 16 43.200 9.323 2.872
131 H HIS 17 HN HIS 17 40.986 12.459 1.803
132 HA HIS 17 HA HIS 17 38.923 14.241 0.645
133 HB2 HIS 17 HB2 HIS 17 38.343 12.504 3.069
134 HB3 HIS 17 HB1 HIS 17 37.461 14.014 2.743
135 HD1 HIS 17 HD1 HIS 17 37.623 10.431 1.840
136 HD2 HIS 17 HD2 HIS 17 35.992 13.942 0.198
137 HE1 HIS 17 HE1 HIS 17 35.970 9.726 0.025
138 H GLY 18 HN GLY 18 41.740 14.222 1.655
139 HA2 GLY 18 HA1 GLY 18 42.402 16.612 2.430
140 HA3 GLY 18 HA2 GLY 18 41.528 16.172 3.920
141 H MET 19 HN MET 19 42.063 13.653 4.277
142 HA MET 19 HA MET 19 44.505 12.556 3.922
143 HB2 MET 19 HB2 MET 19 44.884 14.885 5.624
144 HB3 MET 19 HB1 MET 19 45.254 13.421 6.555
145 HG2 MET 19 HG2 MET 19 46.776 12.689 4.690
146 HG3 MET 19 HG1 MET 19 46.467 14.244 3.880
147 HE1 MET 19 HE1 MET 19 49.105 13.865 3.967
148 HE2 MET 19 HE2 MET 19 49.976 15.022 5.003
149 HE3 MET 19 HE3 MET 19 48.689 15.595 3.913
150 H ILE 20 HN ILE 20 43.037 10.913 3.882
151 HA ILE 20 HA ILE 20 41.882 9.140 4.837
152 HB ILE 20 HB ILE 20 43.403 9.923 7.384
153 HG12 ILE 20 HG12 ILE 20 44.697 7.803 6.808
154 HG13 ILE 20 HG11 ILE 20 43.824 7.762 5.260
155 HG21 ILE 20 HG21 ILE 20 41.669 8.689 8.336
156 HG22 ILE 20 HG22 ILE 20 42.705 7.338 7.848
157 HG23 ILE 20 HG23 ILE 20 41.323 7.803 6.834
158 HD11 ILE 20 HD1 ILE 20 44.920 9.691 4.453
159 HD12 ILE 20 HD2 ILE 20 46.205 8.900 5.388
160 HD13 ILE 20 HD3 ILE 20 45.320 10.274 6.086
161 H GLN 21 HN GLN 21 41.372 12.065 4.855
162 HA GLN 21 HA GLN 21 39.271 13.168 5.114
163 HB2 GLN 21 HB2 GLN 21 38.289 10.923 6.111
164 HB3 GLN 21 HB1 GLN 21 38.687 11.644 7.688
165 HG2 GLN 21 HG2 GLN 21 37.349 13.658 7.087
166 HG3 GLN 21 HG1 GLN 21 36.918 12.894 5.538
167 HE21 GLN 21 HE21 GLN 21 34.944 13.640 7.542
168 HE22 GLN 21 HE22 GLN 21 34.220 12.141 8.134
169 H ASN 22 HN ASN 22 41.955 13.458 5.876
170 HA ASN 22 HA ASN 22 43.349 14.614 7.291
171 HB2 ASN 22 HB2 ASN 22 42.259 16.424 6.164
172 HB3 ASN 22 HB1 ASN 22 40.893 16.386 7.317
173 HD21 ASN 22 HD21 ASN 22 44.501 16.244 7.788
174 HD22 ASN 22 HD22 ASN 22 44.542 17.602 8.919
175 H HIS 23 HN HIS 23 42.489 12.491 8.502
176 HA HIS 23 HA HIS 23 41.078 12.909 10.974
177 HB2 HIS 23 HB2 HIS 23 41.497 10.681 9.953
178 HB3 HIS 23 HB1 HIS 23 43.228 10.849 10.335
179 HD1 HIS 23 HD1 HIS 23 41.457 12.462 13.012
180 HD2 HIS 23 HD2 HIS 23 42.359 8.469 12.053
181 HE1 HIS 23 HE1 HIS 23 41.153 11.082 15.140
182 H HIS 24 HN HIS 24 44.605 12.334 10.541
183 HA HIS 24 HA HIS 24 45.349 13.103 13.156
184 HB2 HIS 24 HB2 HIS 24 46.821 11.968 11.470
185 HB3 HIS 24 HB1 HIS 24 46.975 13.523 10.618
186 HD1 HIS 24 HD1 HIS 24 49.225 14.458 11.162
187 HD2 HIS 24 HD2 HIS 24 47.392 12.711 14.519
188 HE1 HIS 24 HE1 HIS 24 50.739 14.899 13.171
Start of MODEL 79
1 H1 PHE 1 HT1 PHE 1 58.671 -1.501 -2.986
2 H2 PHE 1 HT2 PHE 1 57.320 -0.728 -3.668
3 H3 PHE 1 HT3 PHE 1 57.770 -0.402 -2.062
4 HA PHE 1 HA PHE 1 59.942 0.060 -3.777
5 HB2 PHE 1 HB2 PHE 1 57.452 1.705 -4.364
6 HB3 PHE 1 HB1 PHE 1 59.054 1.854 -5.127
7 HD1 PHE 1 HD1 PHE 1 59.871 0.140 -6.705
8 HD2 PHE 1 HD2 PHE 1 55.943 -0.128 -4.938
9 HE1 PHE 1 HE1 PHE 1 59.229 -1.574 -8.394
10 HE2 PHE 1 HE2 PHE 1 55.300 -1.843 -6.627
11 HZ PHE 1 HZ PHE 1 56.928 -2.532 -8.384
12 H LEU 2 HN LEU 2 60.818 0.444 -1.713
13 HA LEU 2 HA LEU 2 61.399 1.776 0.087
14 HB2 LEU 2 HB2 LEU 2 61.447 3.448 -1.943
15 HB3 LEU 2 HB1 LEU 2 59.962 4.106 -1.226
16 HG LEU 2 HG LEU 2 61.417 4.126 1.024
17 HD11 LEU 2 HD11 LEU 2 63.396 2.987 0.100
18 HD12 LEU 2 HD12 LEU 2 63.810 4.660 0.532
19 HD13 LEU 2 HD13 LEU 2 63.539 4.223 -1.171
20 HD21 LEU 2 HD21 LEU 2 61.780 6.112 -1.267
21 HD22 LEU 2 HD22 LEU 2 62.213 6.434 0.430
22 HD23 LEU 2 HD23 LEU 2 60.513 6.150 -0.016
23 H GLY 3 HN GLY 3 58.577 0.551 -0.283
24 HA2 GLY 3 HA1 GLY 3 56.661 0.410 1.003
25 HA3 GLY 3 HA2 GLY 3 57.595 1.184 2.299
26 H ALA 4 HN ALA 4 57.330 2.920 -0.678
27 HA ALA 4 HA ALA 4 54.839 4.280 -0.087
28 HB1 ALA 4 HB1 ALA 4 56.141 5.247 1.737
29 HB2 ALA 4 HB2 ALA 4 55.821 6.481 0.495
30 HB3 ALA 4 HB3 ALA 4 57.426 5.717 0.599
31 H LEU 5 HN LEU 5 54.092 4.963 -1.976
32 HA LEU 5 HA LEU 5 55.832 4.986 -4.315
33 HB2 LEU 5 HB2 LEU 5 53.019 6.122 -4.175
34 HB3 LEU 5 HB1 LEU 5 53.852 5.383 -5.563
35 HG LEU 5 HG LEU 5 52.953 3.958 -3.019
36 HD11 LEU 5 HD11 LEU 5 51.446 2.754 -4.583
37 HD12 LEU 5 HD12 LEU 5 52.042 3.761 -5.925
38 HD13 LEU 5 HD13 LEU 5 51.126 4.505 -4.592
39 HD21 LEU 5 HD21 LEU 5 54.568 3.046 -5.436
40 HD22 LEU 5 HD22 LEU 5 53.670 1.899 -4.414
41 HD23 LEU 5 HD23 LEU 5 54.976 2.878 -3.712
42 H ILE 6 HN ILE 6 55.998 7.022 -1.907
43 HA ILE 6 HA ILE 6 56.431 9.319 -1.635
44 HB ILE 6 HB ILE 6 57.417 9.395 -4.531
45 HG12 ILE 6 HG12 ILE 6 58.701 7.840 -2.237
46 HG13 ILE 6 HG11 ILE 6 58.086 7.162 -3.762
47 HG21 ILE 6 HG21 ILE 6 57.599 11.296 -2.750
48 HG22 ILE 6 HG22 ILE 6 59.069 10.858 -3.648
49 HG23 ILE 6 HG23 ILE 6 58.835 10.272 -1.983
50 HD11 ILE 6 HD1 ILE 6 60.486 8.981 -3.346
51 HD12 ILE 6 HD2 ILE 6 59.745 8.746 -4.949
52 HD13 ILE 6 HD3 ILE 6 60.443 7.360 -4.078
53 H LYS 7 HN LYS 7 56.555 11.080 -4.224
54 HA LYS 7 HA LYS 7 55.052 12.755 -4.858
55 HB2 LYS 7 HB2 LYS 7 52.824 10.669 -4.714
56 HB3 LYS 7 HB1 LYS 7 52.884 12.125 -5.735
57 HG2 LYS 7 HG2 LYS 7 54.762 9.733 -5.996
58 HG3 LYS 7 HG1 LYS 7 53.338 10.027 -7.023
59 HD2 LYS 7 HD2 LYS 7 54.383 12.317 -7.565
60 HD3 LYS 7 HD1 LYS 7 55.872 11.703 -6.806
61 HE2 LYS 7 HE2 LYS 7 54.443 10.643 -9.269
62 HE3 LYS 7 HE1 LYS 7 56.120 11.222 -9.129
63 HZ1 LYS 7 HZ1 LYS 7 56.422 8.970 -9.035
64 HZ2 LYS 7 HZ2 LYS 7 54.943 8.672 -8.254
65 HZ3 LYS 7 HZ3 LYS 7 56.256 9.303 -7.380
66 H GLY 8 HN GLY 8 55.817 11.748 -2.465
67 HA2 GLY 8 HA1 GLY 8 55.488 11.507 -0.276
68 HA3 GLY 8 HA2 GLY 8 55.067 13.259 -0.402
69 H ALA 9 HN ALA 9 53.877 9.956 -0.275
70 HA ALA 9 HA ALA 9 51.880 9.066 0.424
71 HB1 ALA 9 HB1 ALA 9 50.690 10.156 2.177
72 HB2 ALA 9 HB2 ALA 9 51.261 11.762 1.665
73 HB3 ALA 9 HB3 ALA 9 52.400 10.601 2.388
74 H ILE 10 HN ILE 10 51.602 9.359 -2.034
75 HA ILE 10 HA ILE 10 50.364 10.147 -3.862
76 HB ILE 10 HB ILE 10 47.837 9.690 -3.456
77 HG12 ILE 10 HG12 ILE 10 48.957 8.664 -0.801
78 HG13 ILE 10 HG11 ILE 10 47.957 10.124 -0.970
79 HG21 ILE 10 HG21 ILE 10 49.533 8.035 -4.363
80 HG22 ILE 10 HG22 ILE 10 48.189 7.287 -3.475
81 HG23 ILE 10 HG23 ILE 10 49.780 7.464 -2.696
82 HD11 ILE 10 HD1 ILE 10 47.175 7.221 -1.361
83 HD12 ILE 10 HD2 ILE 10 46.256 8.508 -2.176
84 HD13 ILE 10 HD3 ILE 10 46.367 8.480 -0.403
85 H HIS 11 HN HIS 11 51.059 12.359 -3.755
86 HA HIS 11 HA HIS 11 50.719 14.656 -3.530
87 HB2 HIS 11 HB2 HIS 11 49.277 13.906 -5.468
88 HB3 HIS 11 HB1 HIS 11 47.895 13.897 -4.349
89 HD1 HIS 11 HD1 HIS 11 50.169 16.536 -3.338
90 HD2 HIS 11 HD2 HIS 11 47.229 16.157 -6.319
91 HE1 HIS 11 HE1 HIS 11 49.498 18.896 -4.050
92 H GLY 12 HN GLY 12 49.966 12.907 -1.139
93 HA2 GLY 12 HA1 GLY 12 49.027 13.212 0.953
94 HA3 GLY 12 HA2 GLY 12 49.263 14.945 0.654
95 H GLY 13 HN GLY 13 47.032 12.208 0.229
96 HA2 GLY 13 HA1 GLY 13 44.732 12.182 -0.096
97 HA3 GLY 13 HA2 GLY 13 44.733 13.501 1.092
98 H ARG 14 HN ARG 14 45.031 12.743 -2.368
99 HA ARG 14 HA ARG 14 43.248 14.886 -3.097
100 HB2 ARG 14 HB2 ARG 14 45.502 16.078 -2.507
101 HB3 ARG 14 HB1 ARG 14 46.097 15.376 -4.021
102 HG2 ARG 14 HG2 ARG 14 45.274 17.573 -4.559
103 HG3 ARG 14 HG1 ARG 14 44.093 16.409 -5.197
104 HD2 ARG 14 HD2 ARG 14 42.454 17.031 -3.657
105 HD3 ARG 14 HD1 ARG 14 43.635 17.446 -2.393
106 HE ARG 14 HE ARG 14 43.654 19.642 -3.240
107 HH11 ARG 14 HH11 ARG 14 44.331 18.503 -6.066
108 HH12 ARG 14 HH12 ARG 14 43.068 19.240 -6.991
109 HH21 ARG 14 HH21 ARG 14 41.194 20.138 -4.216
110 HH22 ARG 14 HH22 ARG 14 41.292 20.166 -5.945
111 H PHE 15 HN PHE 15 46.178 13.244 -4.386
112 HA PHE 15 HA PHE 15 45.421 12.917 -7.039
113 HB2 PHE 15 HB2 PHE 15 47.565 12.129 -5.879
114 HB3 PHE 15 HB1 PHE 15 46.667 10.665 -5.417
115 HD1 PHE 15 HD1 PHE 15 47.291 12.809 -8.470
116 HD2 PHE 15 HD2 PHE 15 46.794 8.819 -6.890
117 HE1 PHE 15 HE1 PHE 15 47.733 11.858 -10.728
118 HE2 PHE 15 HE2 PHE 15 47.235 7.873 -9.150
119 HZ PHE 15 HZ PHE 15 47.761 9.390 -11.055
120 H ILE 16 HN ILE 16 44.358 11.050 -4.232
121 HA ILE 16 HA ILE 16 42.011 10.081 -5.788
122 HB ILE 16 HB ILE 16 42.325 7.770 -4.685
123 HG12 ILE 16 HG12 ILE 16 45.169 8.861 -4.410
124 HG13 ILE 16 HG11 ILE 16 44.078 8.434 -3.074
125 HG21 ILE 16 HG21 ILE 16 42.736 8.327 -7.140
126 HG22 ILE 16 HG22 ILE 16 43.658 6.939 -6.522
127 HG23 ILE 16 HG23 ILE 16 44.456 8.515 -6.733
128 HD11 ILE 16 HD1 ILE 16 43.987 6.067 -4.218
129 HD12 ILE 16 HD2 ILE 16 45.432 6.510 -3.279
130 HD13 ILE 16 HD3 ILE 16 45.465 6.604 -5.054
131 H HIS 17 HN HIS 17 41.629 12.052 -4.298
132 HA HIS 17 HA HIS 17 40.275 10.986 -1.882
133 HB2 HIS 17 HB2 HIS 17 42.607 11.618 -1.138
134 HB3 HIS 17 HB1 HIS 17 42.256 13.283 -1.658
135 HD1 HIS 17 HD1 HIS 17 40.243 14.537 -0.425
136 HD2 HIS 17 HD2 HIS 17 41.567 10.972 1.370
137 HE1 HIS 17 HE1 HIS 17 39.273 14.468 1.938
138 H GLY 18 HN GLY 18 41.319 14.050 -3.509
139 HA2 GLY 18 HA1 GLY 18 38.932 15.495 -2.836
140 HA3 GLY 18 HA2 GLY 18 40.001 15.838 -4.224
141 H MET 19 HN MET 19 39.953 13.974 -5.839
142 HA MET 19 HA MET 19 37.955 12.301 -6.359
143 HB2 MET 19 HB2 MET 19 36.792 14.973 -6.614
144 HB3 MET 19 HB1 MET 19 36.675 14.082 -8.145
145 HG2 MET 19 HG2 MET 19 35.825 12.877 -5.482
146 HG3 MET 19 HG1 MET 19 34.716 13.805 -6.519
147 HE1 MET 19 HE1 MET 19 33.537 10.183 -7.103
148 HE2 MET 19 HE2 MET 19 32.990 11.875 -7.048
149 HE3 MET 19 HE3 MET 19 33.897 11.188 -5.680
150 H ILE 20 HN ILE 20 39.875 11.444 -7.030
151 HA ILE 20 HA ILE 20 41.368 10.851 -8.710
152 HB ILE 20 HB ILE 20 39.707 12.404 -10.745
153 HG12 ILE 20 HG12 ILE 20 39.114 9.651 -9.558
154 HG13 ILE 20 HG11 ILE 20 38.085 11.094 -9.439
155 HG21 ILE 20 HG21 ILE 20 40.571 10.826 -12.313
156 HG22 ILE 20 HG22 ILE 20 41.067 9.693 -11.034
157 HG23 ILE 20 HG23 ILE 20 41.958 11.211 -11.273
158 HD11 ILE 20 HD1 ILE 20 37.122 9.831 -11.207
159 HD12 ILE 20 HD2 ILE 20 38.711 9.424 -11.895
160 HD13 ILE 20 HD3 ILE 20 38.078 11.082 -12.034
161 H GLN 21 HN GLN 21 40.945 13.419 -7.230
162 HA GLN 21 HA GLN 21 42.565 15.142 -6.823
163 HB2 GLN 21 HB2 GLN 21 44.063 14.114 -8.745
164 HB3 GLN 21 HB1 GLN 21 43.252 15.306 -9.788
165 HG2 GLN 21 HG2 GLN 21 43.907 17.068 -8.024
166 HG3 GLN 21 HG1 GLN 21 44.978 15.825 -7.336
167 HE21 GLN 21 HE21 GLN 21 45.559 18.460 -8.865
168 HE22 GLN 21 HE22 GLN 21 46.650 17.946 -10.156
169 H ASN 22 HN ASN 22 39.850 14.859 -7.444
170 HA ASN 22 HA ASN 22 38.007 16.001 -8.216
171 HB2 ASN 22 HB2 ASN 22 38.016 18.418 -7.557
172 HB3 ASN 22 HB1 ASN 22 38.517 17.272 -6.277
173 HD21 ASN 22 HD21 ASN 22 39.543 19.989 -8.270
174 HD22 ASN 22 HD22 ASN 22 41.189 20.079 -7.632
175 H HIS 23 HN HIS 23 39.318 15.149 -10.241
176 HA HIS 23 HA HIS 23 39.804 15.541 -12.497
177 HB2 HIS 23 HB2 HIS 23 37.719 17.737 -12.215
178 HB3 HIS 23 HB1 HIS 23 38.146 16.831 -13.688
179 HD1 HIS 23 HD1 HIS 23 38.373 14.254 -11.363
180 HD2 HIS 23 HD2 HIS 23 35.088 16.371 -12.918
181 HE1 HIS 23 HE1 HIS 23 36.292 12.822 -10.978
182 H HIS 24 HN HIS 24 40.028 17.527 -14.209
183 HA HIS 24 HA HIS 24 41.550 19.150 -14.872
184 HB2 HIS 24 HB2 HIS 24 39.852 20.540 -13.674
185 HB3 HIS 24 HB1 HIS 24 40.827 20.397 -12.191
186 HD1 HIS 24 HD1 HIS 24 43.512 21.129 -12.613
187 HD2 HIS 24 HD2 HIS 24 40.550 22.796 -15.087
188 HE1 HIS 24 HE1 HIS 24 44.518 23.205 -13.710
Start of MODEL 80
1 H1 PHE 1 HT1 PHE 1 62.286 3.133 -9.055
2 H2 PHE 1 HT2 PHE 1 62.509 1.622 -9.800
3 H3 PHE 1 HT3 PHE 1 61.519 1.759 -8.426
4 HA PHE 1 HA PHE 1 60.977 3.140 -10.968
5 HB2 PHE 1 HB2 PHE 1 60.984 0.673 -11.280
6 HB3 PHE 1 HB1 PHE 1 59.817 0.517 -9.944
7 HD1 PHE 1 HD1 PHE 1 57.480 0.989 -10.274
8 HD2 PHE 1 HD2 PHE 1 60.343 1.969 -13.352
9 HE1 PHE 1 HE1 PHE 1 55.616 1.457 -11.859
10 HE2 PHE 1 HE2 PHE 1 58.479 2.435 -14.936
11 HZ PHE 1 HZ PHE 1 56.117 2.250 -14.167
12 H LEU 2 HN LEU 2 60.528 2.739 -7.622
13 HA LEU 2 HA LEU 2 58.922 3.529 -6.142
14 HB2 LEU 2 HB2 LEU 2 58.195 5.577 -8.262
15 HB3 LEU 2 HB1 LEU 2 58.228 5.766 -6.491
16 HG LEU 2 HG LEU 2 60.636 5.395 -8.329
17 HD11 LEU 2 HD11 LEU 2 59.775 7.723 -6.555
18 HD12 LEU 2 HD12 LEU 2 59.574 7.659 -8.322
19 HD13 LEU 2 HD13 LEU 2 61.205 7.673 -7.611
20 HD21 LEU 2 HD21 LEU 2 61.162 4.253 -6.285
21 HD22 LEU 2 HD22 LEU 2 60.361 5.498 -5.295
22 HD23 LEU 2 HD23 LEU 2 61.892 5.866 -6.124
23 H GLY 3 HN GLY 3 56.445 4.815 -6.566
24 HA2 GLY 3 HA1 GLY 3 54.756 3.484 -8.427
25 HA3 GLY 3 HA2 GLY 3 54.750 2.551 -6.918
26 H ALA 4 HN ALA 4 54.553 4.059 -4.885
27 HA ALA 4 HA ALA 4 52.943 6.462 -5.274
28 HB1 ALA 4 HB1 ALA 4 51.290 4.655 -5.788
29 HB2 ALA 4 HB2 ALA 4 50.859 5.630 -4.362
30 HB3 ALA 4 HB3 ALA 4 51.553 4.005 -4.153
31 H LEU 5 HN LEU 5 55.015 4.521 -3.605
32 HA LEU 5 HA LEU 5 54.241 5.180 -0.869
33 HB2 LEU 5 HB2 LEU 5 56.728 4.027 -2.176
34 HB3 LEU 5 HB1 LEU 5 56.692 4.421 -0.442
35 HG LEU 5 HG LEU 5 54.826 2.903 -0.072
36 HD11 LEU 5 HD11 LEU 5 54.836 2.697 -3.110
37 HD12 LEU 5 HD12 LEU 5 53.484 3.123 -2.033
38 HD13 LEU 5 HD13 LEU 5 54.082 1.449 -2.088
39 HD21 LEU 5 HD21 LEU 5 55.907 0.764 -0.677
40 HD22 LEU 5 HD22 LEU 5 57.120 1.942 -0.125
41 HD23 LEU 5 HD23 LEU 5 56.931 1.606 -1.863
42 H ILE 6 HN ILE 6 54.856 7.263 -3.157
43 HA ILE 6 HA ILE 6 55.937 9.262 -1.295
44 HB ILE 6 HB ILE 6 57.963 7.879 -2.367
45 HG12 ILE 6 HG12 ILE 6 57.911 10.934 -2.363
46 HG13 ILE 6 HG11 ILE 6 58.216 9.885 -0.966
47 HG21 ILE 6 HG21 ILE 6 58.622 8.290 -4.546
48 HG22 ILE 6 HG22 ILE 6 57.887 9.904 -4.601
49 HG23 ILE 6 HG23 ILE 6 56.867 8.456 -4.765
50 HD11 ILE 6 HD1 ILE 6 59.932 10.220 -3.454
51 HD12 ILE 6 HD2 ILE 6 60.154 8.879 -2.306
52 HD13 ILE 6 HD3 ILE 6 60.371 10.562 -1.765
53 H LYS 7 HN LYS 7 56.852 10.975 -3.648
54 HA LYS 7 HA LYS 7 55.709 12.719 -4.686
55 HB2 LYS 7 HB2 LYS 7 53.594 10.600 -5.348
56 HB3 LYS 7 HB1 LYS 7 53.751 12.193 -6.119
57 HG2 LYS 7 HG2 LYS 7 56.016 10.159 -6.166
58 HG3 LYS 7 HG1 LYS 7 54.727 10.149 -7.388
59 HD2 LYS 7 HD2 LYS 7 55.271 12.593 -7.851
60 HD3 LYS 7 HD1 LYS 7 56.690 12.406 -6.792
61 HE2 LYS 7 HE2 LYS 7 56.116 10.685 -9.242
62 HE3 LYS 7 HE1 LYS 7 57.237 12.066 -9.210
63 HZ1 LYS 7 HZ1 LYS 7 58.594 10.971 -7.624
64 HZ2 LYS 7 HZ2 LYS 7 58.281 9.838 -8.852
65 HZ3 LYS 7 HZ3 LYS 7 57.454 9.741 -7.369
66 H GLY 8 HN GLY 8 55.628 11.648 -2.202
67 HA2 GLY 8 HA1 GLY 8 54.626 11.425 -0.234
68 HA3 GLY 8 HA2 GLY 8 54.289 13.183 -0.470
69 H ALA 9 HN ALA 9 53.070 9.928 -0.549
70 HA ALA 9 HA ALA 9 50.955 9.045 -0.902
71 HB1 ALA 9 HB1 ALA 9 49.352 9.854 0.750
72 HB2 ALA 9 HB2 ALA 9 50.286 11.356 0.953
73 HB3 ALA 9 HB3 ALA 9 50.983 9.797 1.460
74 H ILE 10 HN ILE 10 51.480 10.407 -3.125
75 HA ILE 10 HA ILE 10 50.653 11.823 -4.780
76 HB ILE 10 HB ILE 10 48.044 11.238 -5.166
77 HG12 ILE 10 HG12 ILE 10 49.000 9.040 -3.263
78 HG13 ILE 10 HG11 ILE 10 47.754 10.251 -2.892
79 HG21 ILE 10 HG21 ILE 10 50.039 10.435 -6.518
80 HG22 ILE 10 HG22 ILE 10 48.714 9.263 -6.404
81 HG23 ILE 10 HG23 ILE 10 50.167 9.059 -5.398
82 HD11 ILE 10 HD1 ILE 10 47.627 7.920 -4.818
83 HD12 ILE 10 HD2 ILE 10 46.597 9.347 -5.094
84 HD13 ILE 10 HD3 ILE 10 46.452 8.422 -3.581
85 H HIS 11 HN HIS 11 47.447 11.908 -3.379
86 HA HIS 11 HA HIS 11 47.202 14.694 -3.606
87 HB2 HIS 11 HB2 HIS 11 45.270 14.493 -2.100
88 HB3 HIS 11 HB1 HIS 11 45.294 13.172 -3.293
89 HD1 HIS 11 HD1 HIS 11 45.110 10.854 -2.377
90 HD2 HIS 11 HD2 HIS 11 46.576 13.570 0.482
91 HE1 HIS 11 HE1 HIS 11 45.321 9.592 -0.166
92 H GLY 12 HN GLY 12 49.271 13.050 -1.475
93 HA2 GLY 12 HA1 GLY 12 48.966 14.830 0.815
94 HA3 GLY 12 HA2 GLY 12 50.314 13.717 0.506
95 H GLY 13 HN GLY 13 49.704 15.546 -2.208
96 HA2 GLY 13 HA1 GLY 13 51.107 17.985 -1.496
97 HA3 GLY 13 HA2 GLY 13 52.154 16.833 -2.352
98 H ARG 14 HN ARG 14 49.689 15.740 -3.741
99 HA ARG 14 HA ARG 14 49.839 17.568 -6.038
100 HB2 ARG 14 HB2 ARG 14 49.611 14.885 -5.865
101 HB3 ARG 14 HB1 ARG 14 47.879 15.267 -5.926
102 HG2 ARG 14 HG2 ARG 14 50.005 16.069 -7.969
103 HG3 ARG 14 HG1 ARG 14 48.700 14.884 -8.198
104 HD2 ARG 14 HD2 ARG 14 47.104 16.894 -7.611
105 HD3 ARG 14 HD1 ARG 14 48.518 17.903 -8.011
106 HE ARG 14 HE ARG 14 48.191 17.341 -10.282
107 HH11 ARG 14 HH11 ARG 14 45.522 16.311 -8.657
108 HH12 ARG 14 HH12 ARG 14 45.118 15.007 -9.724
109 HH21 ARG 14 HH21 ARG 14 48.107 15.164 -11.475
110 HH22 ARG 14 HH22 ARG 14 46.582 14.358 -11.318
111 H PHE 15 HN PHE 15 47.543 16.702 -3.474
112 HA PHE 15 HA PHE 15 45.115 17.644 -4.325
113 HB2 PHE 15 HB2 PHE 15 45.637 16.861 -2.013
114 HB3 PHE 15 HB1 PHE 15 46.387 18.440 -1.678
115 HD1 PHE 15 HD1 PHE 15 43.203 16.665 -2.366
116 HD2 PHE 15 HD2 PHE 15 45.036 20.467 -1.461
117 HE1 PHE 15 HE1 PHE 15 40.961 17.624 -1.849
118 HE2 PHE 15 HE2 PHE 15 42.794 21.425 -0.944
119 HZ PHE 15 HZ PHE 15 40.753 20.019 -1.193
120 H ILE 16 HN ILE 16 47.671 19.789 -2.960
121 HA ILE 16 HA ILE 16 46.201 22.190 -3.679
122 HB ILE 16 HB ILE 16 49.177 21.882 -3.046
123 HG12 ILE 16 HG12 ILE 16 46.831 22.560 -1.210
124 HG13 ILE 16 HG11 ILE 16 47.603 20.961 -1.298
125 HG21 ILE 16 HG21 ILE 16 49.002 24.272 -2.427
126 HG22 ILE 16 HG22 ILE 16 47.282 24.274 -2.882
127 HG23 ILE 16 HG23 ILE 16 48.532 24.042 -4.125
128 HD11 ILE 16 HD1 ILE 16 48.722 23.563 -0.217
129 HD12 ILE 16 HD2 ILE 16 49.836 22.318 -0.833
130 HD13 ILE 16 HD3 ILE 16 48.737 21.943 0.513
131 H HIS 17 HN HIS 17 49.582 21.873 -4.750
132 HA HIS 17 HA HIS 17 48.836 21.480 -7.556
133 HB2 HIS 17 HB2 HIS 17 49.752 24.208 -6.556
134 HB3 HIS 17 HB1 HIS 17 49.858 23.698 -8.258
135 HD1 HIS 17 HD1 HIS 17 47.648 25.392 -5.952
136 HD2 HIS 17 HD2 HIS 17 47.121 22.824 -9.240
137 HE1 HIS 17 HE1 HIS 17 45.223 25.627 -6.721
138 H GLY 18 HN GLY 18 50.319 19.807 -6.242
139 HA2 GLY 18 HA1 GLY 18 52.425 18.838 -6.180
140 HA3 GLY 18 HA2 GLY 18 52.895 19.952 -7.466
141 H MET 19 HN MET 19 51.894 20.232 -4.089
142 HA MET 19 HA MET 19 52.798 21.640 -2.541
143 HB2 MET 19 HB2 MET 19 55.277 20.301 -3.458
144 HB3 MET 19 HB1 MET 19 55.126 21.175 -1.914
145 HG2 MET 19 HG2 MET 19 53.475 19.619 -1.098
146 HG3 MET 19 HG1 MET 19 53.312 18.861 -2.700
147 HE1 MET 19 HE1 MET 19 56.600 18.333 0.443
148 HE2 MET 19 HE2 MET 19 54.874 18.689 0.702
149 HE3 MET 19 HE3 MET 19 55.935 19.915 -0.034
150 H ILE 20 HN ILE 20 52.723 22.732 -5.306
151 HA ILE 20 HA ILE 20 53.492 24.679 -6.323
152 HB ILE 20 HB ILE 20 54.037 25.404 -3.399
153 HG12 ILE 20 HG12 ILE 20 52.250 27.085 -3.877
154 HG13 ILE 20 HG11 ILE 20 52.120 26.447 -5.531
155 HG21 ILE 20 HG21 ILE 20 54.460 27.765 -4.337
156 HG22 ILE 20 HG22 ILE 20 54.715 26.978 -5.913
157 HG23 ILE 20 HG23 ILE 20 55.779 26.590 -4.541
158 HD11 ILE 20 HD1 ILE 20 51.298 24.343 -4.767
159 HD12 ILE 20 HD2 ILE 20 50.432 25.556 -3.798
160 HD13 ILE 20 HD3 ILE 20 51.799 24.663 -3.090
161 H GLN 21 HN GLN 21 55.259 22.404 -4.631
162 HA GLN 21 HA GLN 21 57.931 23.420 -5.675
163 HB2 GLN 21 HB2 GLN 21 57.538 22.802 -3.172
164 HB3 GLN 21 HB1 GLN 21 57.509 21.115 -3.732
165 HG2 GLN 21 HG2 GLN 21 59.786 23.084 -4.265
166 HG3 GLN 21 HG1 GLN 21 59.785 21.856 -2.977
167 HE21 GLN 21 HE21 GLN 21 58.854 19.560 -4.109
168 HE22 GLN 21 HE22 GLN 21 59.822 19.110 -5.516
169 H ASN 22 HN ASN 22 55.807 20.504 -5.412
170 HA ASN 22 HA ASN 22 57.445 19.049 -7.362
171 HB2 ASN 22 HB2 ASN 22 54.779 18.585 -5.966
172 HB3 ASN 22 HB1 ASN 22 55.308 17.537 -7.307
173 HD21 ASN 22 HD21 ASN 22 55.995 15.625 -6.305
174 HD22 ASN 22 HD22 ASN 22 57.151 15.578 -4.971
175 H HIS 23 HN HIS 23 54.684 21.220 -7.168
176 HA HIS 23 HA HIS 23 53.422 22.194 -8.878
177 HB2 HIS 23 HB2 HIS 23 55.721 22.910 -9.588
178 HB3 HIS 23 HB1 HIS 23 55.780 21.492 -10.663
179 HD1 HIS 23 HD1 HIS 23 54.601 24.975 -10.472
180 HD2 HIS 23 HD2 HIS 23 53.684 21.555 -12.738
181 HE1 HIS 23 HE1 HIS 23 53.220 25.741 -12.481
182 H HIS 24 HN HIS 24 51.690 20.814 -9.050
183 HA HIS 24 HA HIS 24 50.327 19.204 -10.014
184 HB2 HIS 24 HB2 HIS 24 50.760 20.624 -12.019
185 HB3 HIS 24 HB1 HIS 24 52.150 19.589 -12.421
186 HD1 HIS 24 HD1 HIS 24 51.703 17.400 -13.611
187 HD2 HIS 24 HD2 HIS 24 48.204 19.143 -12.061
188 HE1 HIS 24 HE1 HIS 24 49.721 16.064 -14.514
Start of MODEL 81
1 H1 PHE 1 HT1 PHE 1 53.896 4.532 -11.507
2 H2 PHE 1 HT2 PHE 1 52.280 4.104 -11.207
3 H3 PHE 1 HT3 PHE 1 53.034 3.635 -12.657
4 HA PHE 1 HA PHE 1 52.806 1.833 -11.040
5 HB2 PHE 1 HB2 PHE 1 55.675 2.654 -11.639
6 HB3 PHE 1 HB1 PHE 1 55.067 1.004 -11.362
7 HD1 PHE 1 HD1 PHE 1 53.940 -0.226 -13.108
8 HD2 PHE 1 HD2 PHE 1 54.954 3.932 -13.676
9 HE1 PHE 1 HE1 PHE 1 53.388 -0.423 -15.530
10 HE2 PHE 1 HE2 PHE 1 54.401 3.735 -16.098
11 HZ PHE 1 HZ PHE 1 53.549 1.578 -17.008
12 H LEU 2 HN LEU 2 52.066 2.546 -8.984
13 HA LEU 2 HA LEU 2 53.873 3.864 -7.127
14 HB2 LEU 2 HB2 LEU 2 51.437 2.221 -6.365
15 HB3 LEU 2 HB1 LEU 2 52.124 3.638 -5.537
16 HG LEU 2 HG LEU 2 50.761 3.613 -8.267
17 HD11 LEU 2 HD11 LEU 2 49.997 4.867 -5.591
18 HD12 LEU 2 HD12 LEU 2 49.227 3.443 -6.331
19 HD13 LEU 2 HD13 LEU 2 49.089 5.037 -7.112
20 HD21 LEU 2 HD21 LEU 2 52.483 5.270 -8.407
21 HD22 LEU 2 HD22 LEU 2 52.237 5.785 -6.719
22 HD23 LEU 2 HD23 LEU 2 51.018 6.172 -7.957
23 H GLY 3 HN GLY 3 55.003 3.034 -5.384
24 HA2 GLY 3 HA1 GLY 3 54.957 0.237 -4.687
25 HA3 GLY 3 HA2 GLY 3 56.337 0.591 -5.745
26 H ALA 4 HN ALA 4 57.289 2.954 -5.009
27 HA ALA 4 HA ALA 4 58.452 2.361 -2.386
28 HB1 ALA 4 HB1 ALA 4 59.775 3.326 -4.238
29 HB2 ALA 4 HB2 ALA 4 59.789 4.371 -2.797
30 HB3 ALA 4 HB3 ALA 4 58.762 4.788 -4.189
31 H LEU 5 HN LEU 5 55.585 3.775 -3.364
32 HA LEU 5 HA LEU 5 54.063 5.162 -2.306
33 HB2 LEU 5 HB2 LEU 5 54.318 3.404 -0.557
34 HB3 LEU 5 HB1 LEU 5 55.627 4.352 0.181
35 HG LEU 5 HG LEU 5 54.016 6.249 0.524
36 HD11 LEU 5 HD11 LEU 5 52.292 6.023 -1.074
37 HD12 LEU 5 HD12 LEU 5 51.500 5.423 0.397
38 HD13 LEU 5 HD13 LEU 5 52.130 4.271 -0.804
39 HD21 LEU 5 HD21 LEU 5 53.115 3.573 1.683
40 HD22 LEU 5 HD22 LEU 5 52.813 5.180 2.389
41 HD23 LEU 5 HD23 LEU 5 54.475 4.551 2.288
42 H ILE 6 HN ILE 6 54.914 7.036 -3.371
43 HA ILE 6 HA ILE 6 55.870 9.047 -1.394
44 HB ILE 6 HB ILE 6 57.899 7.771 -2.629
45 HG12 ILE 6 HG12 ILE 6 57.747 10.813 -2.376
46 HG13 ILE 6 HG11 ILE 6 58.164 9.662 -1.091
47 HG21 ILE 6 HG21 ILE 6 56.709 8.482 -4.941
48 HG22 ILE 6 HG22 ILE 6 58.476 8.379 -4.789
49 HG23 ILE 6 HG23 ILE 6 57.674 9.957 -4.698
50 HD11 ILE 6 HD1 ILE 6 60.254 10.469 -1.913
51 HD12 ILE 6 HD2 ILE 6 59.740 10.312 -3.609
52 HD13 ILE 6 HD3 ILE 6 60.061 8.854 -2.636
53 H LYS 7 HN LYS 7 56.623 10.919 -3.621
54 HA LYS 7 HA LYS 7 55.381 12.640 -4.567
55 HB2 LYS 7 HB2 LYS 7 54.676 10.651 -6.176
56 HB3 LYS 7 HB1 LYS 7 53.159 10.657 -5.245
57 HG2 LYS 7 HG2 LYS 7 52.806 13.034 -5.797
58 HG3 LYS 7 HG1 LYS 7 54.353 13.076 -6.675
59 HD2 LYS 7 HD2 LYS 7 53.489 11.278 -8.199
60 HD3 LYS 7 HD1 LYS 7 51.915 11.381 -7.372
61 HE2 LYS 7 HE2 LYS 7 51.809 13.815 -7.964
62 HE3 LYS 7 HE1 LYS 7 53.320 13.626 -8.883
63 HZ1 LYS 7 HZ1 LYS 7 51.654 13.348 -10.460
64 HZ2 LYS 7 HZ2 LYS 7 50.664 12.437 -9.422
65 HZ3 LYS 7 HZ3 LYS 7 52.078 11.753 -10.071
66 H GLY 8 HN GLY 8 55.426 11.444 -2.139
67 HA2 GLY 8 HA1 GLY 8 54.514 11.082 -0.150
68 HA3 GLY 8 HA2 GLY 8 54.074 12.826 -0.288
69 H ALA 9 HN ALA 9 53.030 9.499 -0.629
70 HA ALA 9 HA ALA 9 50.944 8.522 -0.714
71 HB1 ALA 9 HB1 ALA 9 49.310 9.370 0.823
72 HB2 ALA 9 HB2 ALA 9 50.012 11.006 0.758
73 HB3 ALA 9 HB3 ALA 9 50.909 9.680 1.538
74 H ILE 10 HN ILE 10 51.160 9.071 -3.076
75 HA ILE 10 HA ILE 10 50.111 9.666 -5.036
76 HB ILE 10 HB ILE 10 47.848 9.880 -3.055
77 HG12 ILE 10 HG12 ILE 10 46.740 8.426 -4.734
78 HG13 ILE 10 HG11 ILE 10 48.134 8.631 -5.822
79 HG21 ILE 10 HG21 ILE 10 47.326 11.944 -4.128
80 HG22 ILE 10 HG22 ILE 10 46.302 10.730 -4.924
81 HG23 ILE 10 HG23 ILE 10 47.775 11.316 -5.733
82 HD11 ILE 10 HD1 ILE 10 49.599 7.476 -4.321
83 HD12 ILE 10 HD2 ILE 10 48.110 6.505 -4.366
84 HD13 ILE 10 HD3 ILE 10 48.431 7.576 -2.982
85 H HIS 11 HN HIS 11 48.986 12.209 -2.739
86 HA HIS 11 HA HIS 11 50.755 14.178 -4.044
87 HB2 HIS 11 HB2 HIS 11 48.735 14.105 -5.528
88 HB3 HIS 11 HB1 HIS 11 47.727 14.527 -4.123
89 HD1 HIS 11 HD1 HIS 11 47.104 16.933 -4.369
90 HD2 HIS 11 HD2 HIS 11 51.161 16.244 -5.240
91 HE1 HIS 11 HE1 HIS 11 48.179 19.204 -4.836
92 H GLY 12 HN GLY 12 49.356 12.789 -1.463
93 HA2 GLY 12 HA1 GLY 12 50.041 13.688 0.741
94 HA3 GLY 12 HA2 GLY 12 49.550 15.304 0.199
95 H GLY 13 HN GLY 13 47.836 12.227 -0.321
96 HA2 GLY 13 HA1 GLY 13 45.647 11.671 0.190
97 HA3 GLY 13 HA2 GLY 13 46.054 12.255 1.815
98 H ARG 14 HN ARG 14 44.990 13.340 -1.418
99 HA ARG 14 HA ARG 14 42.872 14.936 -0.247
100 HB2 ARG 14 HB2 ARG 14 44.713 16.468 0.263
101 HB3 ARG 14 HB1 ARG 14 45.288 16.383 -1.416
102 HG2 ARG 14 HG2 ARG 14 43.966 18.460 -0.939
103 HG3 ARG 14 HG1 ARG 14 43.242 17.469 -2.222
104 HD2 ARG 14 HD2 ARG 14 41.472 16.746 -0.836
105 HD3 ARG 14 HD1 ARG 14 42.366 17.100 0.662
106 HE ARG 14 HE ARG 14 41.939 19.540 -0.788
107 HH11 ARG 14 HH11 ARG 14 41.260 20.371 1.582
108 HH12 ARG 14 HH12 ARG 14 39.601 19.993 1.901
109 HH21 ARG 14 HH21 ARG 14 39.377 17.632 -0.629
110 HH22 ARG 14 HH22 ARG 14 38.534 18.441 0.649
111 H PHE 15 HN PHE 15 44.740 13.658 -2.854
112 HA PHE 15 HA PHE 15 43.543 14.839 -5.111
113 HB2 PHE 15 HB2 PHE 15 45.427 13.136 -5.067
114 HB3 PHE 15 HB1 PHE 15 44.188 11.877 -4.845
115 HD1 PHE 15 HD1 PHE 15 45.280 14.658 -7.112
116 HD2 PHE 15 HD2 PHE 15 42.916 11.070 -6.708
117 HE1 PHE 15 HE1 PHE 15 44.854 14.662 -9.567
118 HE2 PHE 15 HE2 PHE 15 42.492 11.072 -9.163
119 HZ PHE 15 HZ PHE 15 43.428 12.892 -10.586
120 H ILE 16 HN ILE 16 42.055 13.070 -2.620
121 HA ILE 16 HA ILE 16 39.531 12.961 -4.206
122 HB ILE 16 HB ILE 16 40.335 10.554 -2.515
123 HG12 ILE 16 HG12 ILE 16 40.782 11.005 -5.504
124 HG13 ILE 16 HG11 ILE 16 42.044 10.785 -4.271
125 HG21 ILE 16 HG21 ILE 16 38.414 10.825 -4.868
126 HG22 ILE 16 HG22 ILE 16 37.915 11.046 -3.175
127 HG23 ILE 16 HG23 ILE 16 38.536 9.472 -3.721
128 HD11 ILE 16 HD1 ILE 16 41.838 8.627 -5.217
129 HD12 ILE 16 HD2 ILE 16 40.069 8.750 -5.353
130 HD13 ILE 16 HD3 ILE 16 40.827 8.518 -3.758
131 H HIS 17 HN HIS 17 40.524 11.586 -1.008
132 HA HIS 17 HA HIS 17 39.330 13.815 0.439
133 HB2 HIS 17 HB2 HIS 17 37.282 12.602 -0.405
134 HB3 HIS 17 HB1 HIS 17 37.823 11.169 0.501
135 HD1 HIS 17 HD1 HIS 17 38.947 13.862 2.512
136 HD2 HIS 17 HD2 HIS 17 35.179 12.118 1.843
137 HE1 HIS 17 HE1 HIS 17 37.435 14.548 4.454
138 H GLY 18 HN GLY 18 41.669 13.380 1.030
139 HA2 GLY 18 HA1 GLY 18 43.160 12.652 2.654
140 HA3 GLY 18 HA2 GLY 18 41.763 12.150 3.606
141 H MET 19 HN MET 19 43.117 11.165 0.492
142 HA MET 19 HA MET 19 43.377 9.008 -0.206
143 HB2 MET 19 HB2 MET 19 45.439 9.483 1.063
144 HB3 MET 19 HB1 MET 19 44.680 8.643 2.429
145 HG2 MET 19 HG2 MET 19 44.942 6.534 1.452
146 HG3 MET 19 HG1 MET 19 44.822 7.163 -0.207
147 HE1 MET 19 HE1 MET 19 48.337 5.367 0.306
148 HE2 MET 19 HE2 MET 19 46.663 5.186 -0.272
149 HE3 MET 19 HE3 MET 19 47.018 5.099 1.471
150 H ILE 20 HN ILE 20 40.974 9.525 1.534
151 HA ILE 20 HA ILE 20 39.269 8.198 2.383
152 HB ILE 20 HB ILE 20 40.568 6.150 0.512
153 HG12 ILE 20 HG12 ILE 20 38.553 6.503 -0.807
154 HG13 ILE 20 HG11 ILE 20 37.834 7.500 0.477
155 HG21 ILE 20 HG21 ILE 20 38.212 5.817 2.408
156 HG22 ILE 20 HG22 ILE 20 39.651 4.780 2.253
157 HG23 ILE 20 HG23 ILE 20 38.427 4.802 0.962
158 HD11 ILE 20 HD1 ILE 20 40.482 8.250 -0.818
159 HD12 ILE 20 HD2 ILE 20 39.364 9.282 0.109
160 HD13 ILE 20 HD3 ILE 20 38.922 8.737 -1.523
161 H GLN 21 HN GLN 21 42.582 7.788 2.778
162 HA GLN 21 HA GLN 21 42.222 5.853 5.108
163 HB2 GLN 21 HB2 GLN 21 43.950 5.380 3.271
164 HB3 GLN 21 HB1 GLN 21 44.836 6.800 3.872
165 HG2 GLN 21 HG2 GLN 21 45.780 4.906 5.005
166 HG3 GLN 21 HG1 GLN 21 44.739 5.723 6.195
167 HE21 GLN 21 HE21 GLN 21 44.900 2.920 3.938
168 HE22 GLN 21 HE22 GLN 21 43.643 1.993 4.764
169 H ASN 22 HN ASN 22 43.495 9.057 4.111
170 HA ASN 22 HA ASN 22 44.132 9.738 6.921
171 HB2 ASN 22 HB2 ASN 22 44.334 11.131 4.219
172 HB3 ASN 22 HB1 ASN 22 44.536 12.037 5.742
173 HD21 ASN 22 HD21 ASN 22 46.783 12.394 5.833
174 HD22 ASN 22 HD22 ASN 22 47.979 11.097 5.736
175 H HIS 23 HN HIS 23 41.696 10.106 4.388
176 HA HIS 23 HA HIS 23 39.574 11.071 4.470
177 HB2 HIS 23 HB2 HIS 23 39.384 9.336 6.294
178 HB3 HIS 23 HB1 HIS 23 39.759 10.617 7.471
179 HD1 HIS 23 HD1 HIS 23 37.287 10.056 4.565
180 HD2 HIS 23 HD2 HIS 23 37.502 11.983 8.295
181 HE1 HIS 23 HE1 HIS 23 34.973 11.017 5.060
182 H HIS 24 HN HIS 24 42.190 12.644 5.490
183 HA HIS 24 HA HIS 24 40.827 15.206 5.574
184 HB2 HIS 24 HB2 HIS 24 40.435 14.397 7.917
185 HB3 HIS 24 HB1 HIS 24 42.199 14.317 8.140
186 HD1 HIS 24 HD1 HIS 24 43.510 16.688 7.594
187 HD2 HIS 24 HD2 HIS 24 39.414 16.892 8.524
188 HE1 HIS 24 HE1 HIS 24 42.991 19.110 8.220
Start of MODEL 82
1 H1 PHE 1 HT1 PHE 1 60.453 -1.247 -6.900
2 H2 PHE 1 HT2 PHE 1 61.507 -2.149 -5.920
3 H3 PHE 1 HT3 PHE 1 61.801 -2.010 -7.587
4 HA PHE 1 HA PHE 1 63.253 -0.622 -6.223
5 HB2 PHE 1 HB2 PHE 1 61.309 0.778 -8.102
6 HB3 PHE 1 HB1 PHE 1 62.875 1.438 -7.574
7 HD1 PHE 1 HD1 PHE 1 64.998 0.387 -8.286
8 HD2 PHE 1 HD2 PHE 1 61.185 -1.084 -9.675
9 HE1 PHE 1 HE1 PHE 1 66.150 -0.911 -10.073
10 HE2 PHE 1 HE2 PHE 1 62.337 -2.381 -11.464
11 HZ PHE 1 HZ PHE 1 64.824 -2.341 -11.624
12 H LEU 2 HN LEU 2 60.080 1.027 -6.566
13 HA LEU 2 HA LEU 2 60.544 2.661 -4.230
14 HB2 LEU 2 HB2 LEU 2 58.113 2.036 -5.940
15 HB3 LEU 2 HB1 LEU 2 57.980 3.059 -4.490
16 HG LEU 2 HG LEU 2 59.670 4.605 -5.393
17 HD11 LEU 2 HD11 LEU 2 59.792 2.549 -7.633
18 HD12 LEU 2 HD12 LEU 2 61.130 3.222 -6.670
19 HD13 LEU 2 HD13 LEU 2 60.311 4.233 -7.882
20 HD21 LEU 2 HD21 LEU 2 58.335 5.523 -7.231
21 HD22 LEU 2 HD22 LEU 2 57.242 4.866 -5.989
22 HD23 LEU 2 HD23 LEU 2 57.545 3.949 -7.483
23 H GLY 3 HN GLY 3 58.899 2.711 -2.386
24 HA2 GLY 3 HA1 GLY 3 57.544 0.327 -1.592
25 HA3 GLY 3 HA2 GLY 3 59.168 0.321 -0.877
26 H ALA 4 HN ALA 4 57.031 3.100 -1.551
27 HA ALA 4 HA ALA 4 56.147 3.371 1.187
28 HB1 ALA 4 HB1 ALA 4 58.424 5.169 0.286
29 HB2 ALA 4 HB2 ALA 4 58.489 3.953 1.583
30 HB3 ALA 4 HB3 ALA 4 57.457 5.392 1.762
31 H LEU 5 HN LEU 5 56.121 4.044 -2.069
32 HA LEU 5 HA LEU 5 54.836 5.452 -3.393
33 HB2 LEU 5 HB2 LEU 5 53.065 5.895 -0.966
34 HB3 LEU 5 HB1 LEU 5 52.604 5.835 -2.684
35 HG LEU 5 HG LEU 5 53.610 3.502 -0.994
36 HD11 LEU 5 HD11 LEU 5 50.913 4.029 -2.321
37 HD12 LEU 5 HD12 LEU 5 51.254 4.235 -0.585
38 HD13 LEU 5 HD13 LEU 5 51.343 2.618 -1.325
39 HD21 LEU 5 HD21 LEU 5 52.933 2.204 -3.127
40 HD22 LEU 5 HD22 LEU 5 54.444 3.136 -3.209
41 HD23 LEU 5 HD23 LEU 5 52.963 3.777 -3.960
42 H ILE 6 HN ILE 6 55.933 7.244 -3.925
43 HA ILE 6 HA ILE 6 56.146 9.460 -1.868
44 HB ILE 6 HB ILE 6 57.816 10.437 -3.423
45 HG12 ILE 6 HG12 ILE 6 57.118 8.022 -5.157
46 HG13 ILE 6 HG11 ILE 6 56.935 9.738 -5.579
47 HG21 ILE 6 HG21 ILE 6 58.436 7.476 -3.090
48 HG22 ILE 6 HG22 ILE 6 58.388 8.605 -1.715
49 HG23 ILE 6 HG23 ILE 6 59.567 8.848 -3.025
50 HD11 ILE 6 HD1 ILE 6 58.933 9.082 -6.680
51 HD12 ILE 6 HD2 ILE 6 59.495 8.137 -5.281
52 HD13 ILE 6 HD3 ILE 6 59.498 9.916 -5.214
53 H LYS 7 HN LYS 7 56.549 11.405 -4.180
54 HA LYS 7 HA LYS 7 55.104 13.089 -4.904
55 HB2 LYS 7 HB2 LYS 7 52.998 10.918 -5.365
56 HB3 LYS 7 HB1 LYS 7 53.077 12.515 -6.138
57 HG2 LYS 7 HG2 LYS 7 54.879 10.112 -6.607
58 HG3 LYS 7 HG1 LYS 7 53.847 10.955 -7.778
59 HD2 LYS 7 HD2 LYS 7 55.296 13.040 -7.341
60 HD3 LYS 7 HD1 LYS 7 56.428 11.949 -6.506
61 HE2 LYS 7 HE2 LYS 7 57.188 12.124 -8.789
62 HE3 LYS 7 HE1 LYS 7 56.438 10.518 -8.616
63 HZ1 LYS 7 HZ1 LYS 7 55.814 12.260 -10.544
64 HZ2 LYS 7 HZ2 LYS 7 54.640 12.667 -9.386
65 HZ3 LYS 7 HZ3 LYS 7 54.748 11.075 -9.967
66 H GLY 8 HN GLY 8 55.497 11.856 -2.527
67 HA2 GLY 8 HA1 GLY 8 54.821 11.402 -0.455
68 HA3 GLY 8 HA2 GLY 8 54.288 13.127 -0.499
69 H ALA 9 HN ALA 9 53.366 9.761 -0.853
70 HA ALA 9 HA ALA 9 51.345 8.672 -0.713
71 HB1 ALA 9 HB1 ALA 9 49.632 9.682 0.798
72 HB2 ALA 9 HB2 ALA 9 50.627 11.155 0.886
73 HB3 ALA 9 HB3 ALA 9 51.256 9.617 1.521
74 H ILE 10 HN ILE 10 51.407 9.204 -3.099
75 HA ILE 10 HA ILE 10 50.223 9.716 -5.003
76 HB ILE 10 HB ILE 10 48.054 9.801 -2.905
77 HG12 ILE 10 HG12 ILE 10 46.984 8.214 -4.484
78 HG13 ILE 10 HG11 ILE 10 48.299 8.498 -5.650
79 HG21 ILE 10 HG21 ILE 10 47.304 11.778 -3.986
80 HG22 ILE 10 HG22 ILE 10 46.368 10.471 -4.743
81 HG23 ILE 10 HG23 ILE 10 47.761 11.173 -5.599
82 HD11 ILE 10 HD1 ILE 10 48.535 6.419 -4.158
83 HD12 ILE 10 HD2 ILE 10 48.810 7.542 -2.806
84 HD13 ILE 10 HD3 ILE 10 49.932 7.519 -4.187
85 H HIS 11 HN HIS 11 48.960 12.180 -2.699
86 HA HIS 11 HA HIS 11 50.530 14.276 -4.088
87 HB2 HIS 11 HB2 HIS 11 48.448 14.085 -5.445
88 HB3 HIS 11 HB1 HIS 11 47.482 14.348 -3.974
89 HD1 HIS 11 HD1 HIS 11 47.538 16.719 -2.872
90 HD2 HIS 11 HD2 HIS 11 49.723 16.415 -6.455
91 HE1 HIS 11 HE1 HIS 11 48.094 19.096 -3.629
92 H GLY 12 HN GLY 12 49.418 12.778 -1.436
93 HA2 GLY 12 HA1 GLY 12 50.271 13.852 0.691
94 HA3 GLY 12 HA2 GLY 12 49.356 15.300 0.227
95 H GLY 13 HN GLY 13 47.899 12.313 -0.637
96 HA2 GLY 13 HA1 GLY 13 46.018 11.237 0.165
97 HA3 GLY 13 HA2 GLY 13 46.593 11.634 1.797
98 H ARG 14 HN ARG 14 45.212 13.377 -1.035
99 HA ARG 14 HA ARG 14 42.917 14.233 0.553
100 HB2 ARG 14 HB2 ARG 14 44.898 15.765 1.243
101 HB3 ARG 14 HB1 ARG 14 44.769 16.450 -0.389
102 HG2 ARG 14 HG2 ARG 14 43.451 17.835 1.106
103 HG3 ARG 14 HG1 ARG 14 42.329 16.935 0.068
104 HD2 ARG 14 HD2 ARG 14 41.545 15.619 1.834
105 HD3 ARG 14 HD1 ARG 14 43.085 15.700 2.725
106 HE ARG 14 HE ARG 14 42.245 17.609 3.811
107 HH11 ARG 14 HH11 ARG 14 41.813 19.820 2.489
108 HH12 ARG 14 HH12 ARG 14 40.158 19.899 1.985
109 HH21 ARG 14 HH21 ARG 14 39.579 16.512 2.444
110 HH22 ARG 14 HH22 ARG 14 38.894 18.027 1.960
111 H PHE 15 HN PHE 15 44.635 13.708 -2.323
112 HA PHE 15 HA PHE 15 42.758 15.235 -4.050
113 HB2 PHE 15 HB2 PHE 15 45.232 14.891 -4.576
114 HB3 PHE 15 HB1 PHE 15 44.850 13.179 -4.876
115 HD1 PHE 15 HD1 PHE 15 44.149 12.534 -7.049
116 HD2 PHE 15 HD2 PHE 15 43.694 16.645 -5.812
117 HE1 PHE 15 HE1 PHE 15 43.360 13.135 -9.333
118 HE2 PHE 15 HE2 PHE 15 42.906 17.245 -8.097
119 HZ PHE 15 HZ PHE 15 42.652 15.472 -9.830
120 H ILE 16 HN ILE 16 43.459 11.970 -2.953
121 HA ILE 16 HA ILE 16 40.738 11.095 -3.627
122 HB ILE 16 HB ILE 16 41.679 8.992 -4.811
123 HG12 ILE 16 HG12 ILE 16 44.022 10.901 -5.285
124 HG13 ILE 16 HG11 ILE 16 44.078 9.497 -4.198
125 HG21 ILE 16 HG21 ILE 16 41.519 10.013 -6.988
126 HG22 ILE 16 HG22 ILE 16 42.026 11.597 -6.358
127 HG23 ILE 16 HG23 ILE 16 40.434 10.932 -5.923
128 HD11 ILE 16 HD1 ILE 16 43.813 9.541 -7.221
129 HD12 ILE 16 HD2 ILE 16 43.309 8.115 -6.280
130 HD13 ILE 16 HD3 ILE 16 44.997 8.672 -6.219
131 H HIS 17 HN HIS 17 41.262 11.385 -1.224
132 HA HIS 17 HA HIS 17 41.814 8.683 -0.138
133 HB2 HIS 17 HB2 HIS 17 44.043 9.862 -0.210
134 HB3 HIS 17 HB1 HIS 17 43.357 11.112 0.856
135 HD1 HIS 17 HD1 HIS 17 42.872 10.495 3.325
136 HD2 HIS 17 HD2 HIS 17 44.565 7.379 1.067
137 HE1 HIS 17 HE1 HIS 17 43.549 8.652 4.958
138 H GLY 18 HN GLY 18 40.590 11.950 0.033
139 HA2 GLY 18 HA1 GLY 18 39.690 12.067 2.711
140 HA3 GLY 18 HA2 GLY 18 38.862 12.812 1.314
141 H MET 19 HN MET 19 38.091 10.948 -0.201
142 HA MET 19 HA MET 19 36.928 8.647 0.863
143 HB2 MET 19 HB2 MET 19 35.587 10.509 2.133
144 HB3 MET 19 HB1 MET 19 34.792 10.719 0.566
145 HG2 MET 19 HG2 MET 19 33.401 9.165 1.684
146 HG3 MET 19 HG1 MET 19 34.420 8.120 0.669
147 HE1 MET 19 HE1 MET 19 33.883 5.990 2.239
148 HE2 MET 19 HE2 MET 19 32.759 7.156 2.977
149 HE3 MET 19 HE3 MET 19 33.812 6.158 4.009
150 H ILE 20 HN ILE 20 38.215 10.121 -1.385
151 HA ILE 20 HA ILE 20 38.063 10.051 -3.693
152 HB ILE 20 HB ILE 20 35.758 8.056 -3.436
153 HG12 ILE 20 HG12 ILE 20 37.480 7.091 -2.073
154 HG13 ILE 20 HG11 ILE 20 37.591 6.273 -3.643
155 HG21 ILE 20 HG21 ILE 20 36.885 7.238 -5.630
156 HG22 ILE 20 HG22 ILE 20 37.737 8.798 -5.619
157 HG23 ILE 20 HG23 ILE 20 35.965 8.756 -5.680
158 HD11 ILE 20 HD1 ILE 20 39.841 6.808 -2.994
159 HD12 ILE 20 HD2 ILE 20 39.396 8.469 -2.545
160 HD13 ILE 20 HD3 ILE 20 39.411 7.982 -4.255
161 H GLN 21 HN GLN 21 35.810 10.827 -1.380
162 HA GLN 21 HA GLN 21 34.242 12.522 -3.379
163 HB2 GLN 21 HB2 GLN 21 32.888 10.546 -2.672
164 HB3 GLN 21 HB1 GLN 21 33.062 11.065 -0.980
165 HG2 GLN 21 HG2 GLN 21 31.880 13.128 -1.404
166 HG3 GLN 21 HG1 GLN 21 31.904 12.847 -3.160
167 HE21 GLN 21 HE21 GLN 21 29.882 12.663 -0.497
168 HE22 GLN 21 HE22 GLN 21 28.795 11.393 -1.070
169 H ASN 22 HN ASN 22 35.999 12.240 -0.365
170 HA ASN 22 HA ASN 22 35.024 14.980 0.454
171 HB2 ASN 22 HB2 ASN 22 34.861 13.079 2.128
172 HB3 ASN 22 HB1 ASN 22 36.635 12.987 2.093
173 HD21 ASN 22 HD21 ASN 22 33.862 15.063 3.000
174 HD22 ASN 22 HD22 ASN 22 34.811 16.157 4.011
175 H HIS 23 HN HIS 23 37.472 13.228 -1.069
176 HA HIS 23 HA HIS 23 39.920 14.238 -0.364
177 HB2 HIS 23 HB2 HIS 23 40.331 14.385 -2.951
178 HB3 HIS 23 HB1 HIS 23 39.872 12.819 -2.245
179 HD1 HIS 23 HD1 HIS 23 37.086 15.240 -2.317
180 HD2 HIS 23 HD2 HIS 23 38.689 12.345 -4.913
181 HE1 HIS 23 HE1 HIS 23 35.332 14.776 -4.116
182 H HIS 24 HN HIS 24 38.730 15.860 -3.251
183 HA HIS 24 HA HIS 24 39.999 18.310 -2.705
184 HB2 HIS 24 HB2 HIS 24 37.410 17.954 -4.265
185 HB3 HIS 24 HB1 HIS 24 38.607 19.258 -4.453
186 HD1 HIS 24 HD1 HIS 24 37.613 16.499 -6.289
187 HD2 HIS 24 HD2 HIS 24 41.363 17.551 -4.703
188 HE1 HIS 24 HE1 HIS 24 39.389 15.273 -7.656
Start of MODEL 83
1 H1 PHE 1 HT1 PHE 1 56.822 -2.556 -5.628
2 H2 PHE 1 HT2 PHE 1 56.154 -2.840 -4.092
3 H3 PHE 1 HT3 PHE 1 57.840 -2.770 -4.290
4 HA PHE 1 HA PHE 1 57.898 -0.536 -4.510
5 HB2 PHE 1 HB2 PHE 1 54.957 -0.742 -5.262
6 HB3 PHE 1 HB1 PHE 1 55.840 0.791 -5.064
7 HD1 PHE 1 HD1 PHE 1 55.326 -2.167 -7.192
8 HD2 PHE 1 HD2 PHE 1 57.719 1.374 -6.589
9 HE1 PHE 1 HE1 PHE 1 56.202 -2.364 -9.517
10 HE2 PHE 1 HE2 PHE 1 58.595 1.178 -8.913
11 HZ PHE 1 HZ PHE 1 57.888 -0.730 -10.353
12 H LEU 2 HN LEU 2 57.479 1.101 -2.950
13 HA LEU 2 HA LEU 2 56.658 -0.005 -0.376
14 HB2 LEU 2 HB2 LEU 2 57.170 2.926 -0.984
15 HB3 LEU 2 HB1 LEU 2 57.415 2.049 0.546
16 HG LEU 2 HG LEU 2 58.994 1.667 -2.037
17 HD11 LEU 2 HD11 LEU 2 59.828 2.692 0.713
18 HD12 LEU 2 HD12 LEU 2 59.513 3.722 -0.704
19 HD13 LEU 2 HD13 LEU 2 60.865 2.563 -0.728
20 HD21 LEU 2 HD21 LEU 2 60.415 0.183 -0.457
21 HD22 LEU 2 HD22 LEU 2 58.869 -0.494 -1.017
22 HD23 LEU 2 HD23 LEU 2 59.001 0.183 0.625
23 H GLY 3 HN GLY 3 55.110 1.147 1.063
24 HA2 GLY 3 HA1 GLY 3 52.530 1.249 -0.218
25 HA3 GLY 3 HA2 GLY 3 52.887 1.655 1.472
26 H ALA 4 HN ALA 4 54.637 3.759 1.236
27 HA ALA 4 HA ALA 4 52.827 5.928 0.725
28 HB1 ALA 4 HB1 ALA 4 55.857 5.991 0.924
29 HB2 ALA 4 HB2 ALA 4 54.740 6.011 2.309
30 HB3 ALA 4 HB3 ALA 4 54.748 7.364 1.150
31 H LEU 5 HN LEU 5 55.684 4.720 -1.084
32 HA LEU 5 HA LEU 5 56.257 4.980 -3.310
33 HB2 LEU 5 HB2 LEU 5 53.747 4.211 -3.475
34 HB3 LEU 5 HB1 LEU 5 53.429 5.901 -3.918
35 HG LEU 5 HG LEU 5 55.436 5.511 -5.649
36 HD11 LEU 5 HD11 LEU 5 55.408 3.169 -6.529
37 HD12 LEU 5 HD12 LEU 5 54.401 2.681 -5.147
38 HD13 LEU 5 HD13 LEU 5 56.061 3.260 -4.879
39 HD21 LEU 5 HD21 LEU 5 53.774 4.740 -7.342
40 HD22 LEU 5 HD22 LEU 5 53.114 6.023 -6.298
41 HD23 LEU 5 HD23 LEU 5 52.647 4.327 -6.029
42 H ILE 6 HN ILE 6 55.931 7.317 -1.277
43 HA ILE 6 HA ILE 6 56.168 9.658 -1.271
44 HB ILE 6 HB ILE 6 57.617 9.443 -3.956
45 HG12 ILE 6 HG12 ILE 6 58.578 8.257 -1.312
46 HG13 ILE 6 HG11 ILE 6 58.258 7.368 -2.820
47 HG21 ILE 6 HG21 ILE 6 57.415 11.549 -2.430
48 HG22 ILE 6 HG22 ILE 6 59.035 11.105 -3.015
49 HG23 ILE 6 HG23 ILE 6 58.549 10.709 -1.348
50 HD11 ILE 6 HD1 ILE 6 60.468 9.376 -2.255
51 HD12 ILE 6 HD2 ILE 6 60.013 8.918 -3.914
52 HD13 ILE 6 HD3 ILE 6 60.621 7.685 -2.783
53 H LYS 7 HN LYS 7 56.631 11.095 -3.999
54 HA LYS 7 HA LYS 7 55.170 12.555 -5.092
55 HB2 LYS 7 HB2 LYS 7 53.135 10.270 -5.057
56 HB3 LYS 7 HB1 LYS 7 53.176 11.652 -6.178
57 HG2 LYS 7 HG2 LYS 7 55.288 10.847 -7.143
58 HG3 LYS 7 HG1 LYS 7 55.328 9.500 -5.979
59 HD2 LYS 7 HD2 LYS 7 53.127 8.706 -6.904
60 HD3 LYS 7 HD1 LYS 7 53.232 9.980 -8.142
61 HE2 LYS 7 HE2 LYS 7 54.076 7.799 -8.993
62 HE3 LYS 7 HE1 LYS 7 55.357 9.034 -8.963
63 HZ1 LYS 7 HZ1 LYS 7 55.085 7.500 -6.520
64 HZ2 LYS 7 HZ2 LYS 7 56.481 7.939 -7.384
65 HZ3 LYS 7 HZ3 LYS 7 55.569 6.589 -7.867
66 H GLY 8 HN GLY 8 55.554 11.903 -2.493
67 HA2 GLY 8 HA1 GLY 8 54.857 11.896 -0.379
68 HA3 GLY 8 HA2 GLY 8 54.348 13.577 -0.800
69 H ALA 9 HN ALA 9 53.393 10.237 -0.371
70 HA ALA 9 HA ALA 9 51.373 9.253 0.094
71 HB1 ALA 9 HB1 ALA 9 49.775 10.467 1.389
72 HB2 ALA 9 HB2 ALA 9 50.337 12.028 0.745
73 HB3 ALA 9 HB3 ALA 9 51.376 11.092 1.847
74 H ILE 10 HN ILE 10 51.900 9.859 -2.564
75 HA ILE 10 HA ILE 10 50.805 9.789 -4.578
76 HB ILE 10 HB ILE 10 48.780 8.912 -2.760
77 HG12 ILE 10 HG12 ILE 10 47.669 8.074 -4.965
78 HG13 ILE 10 HG11 ILE 10 49.036 8.851 -5.795
79 HG21 ILE 10 HG21 ILE 10 47.540 10.839 -4.773
80 HG22 ILE 10 HG22 ILE 10 47.671 11.152 -3.024
81 HG23 ILE 10 HG23 ILE 10 46.681 9.798 -3.614
82 HD11 ILE 10 HD1 ILE 10 49.434 6.422 -5.327
83 HD12 ILE 10 HD2 ILE 10 49.296 6.757 -3.585
84 HD13 ILE 10 HD3 ILE 10 50.629 7.466 -4.525
85 H HIS 11 HN HIS 11 49.957 12.257 -2.234
86 HA HIS 11 HA HIS 11 50.339 14.321 -4.243
87 HB2 HIS 11 HB2 HIS 11 48.032 13.680 -4.825
88 HB3 HIS 11 HB1 HIS 11 47.533 13.905 -3.131
89 HD1 HIS 11 HD1 HIS 11 48.891 15.865 -6.124
90 HD2 HIS 11 HD2 HIS 11 47.028 16.566 -2.417
91 HE1 HIS 11 HE1 HIS 11 48.288 18.347 -6.030
92 H GLY 12 HN GLY 12 49.441 13.230 -1.028
93 HA2 GLY 12 HA1 GLY 12 51.044 14.765 0.504
94 HA3 GLY 12 HA2 GLY 12 49.766 15.940 0.131
95 H GLY 13 HN GLY 13 47.724 13.736 0.005
96 HA2 GLY 13 HA1 GLY 13 47.637 12.451 2.573
97 HA3 GLY 13 HA2 GLY 13 46.733 13.976 2.634
98 H ARG 14 HN ARG 14 47.050 11.632 -0.084
99 HA ARG 14 HA ARG 14 45.292 10.597 -1.260
100 HB2 ARG 14 HB2 ARG 14 43.917 10.499 1.409
101 HB3 ARG 14 HB1 ARG 14 43.751 9.368 0.059
102 HG2 ARG 14 HG2 ARG 14 46.078 8.638 0.359
103 HG3 ARG 14 HG1 ARG 14 46.290 9.808 1.684
104 HD2 ARG 14 HD2 ARG 14 45.815 7.728 2.756
105 HD3 ARG 14 HD1 ARG 14 44.294 8.650 2.828
106 HE ARG 14 HE ARG 14 44.195 7.128 0.450
107 HH11 ARG 14 HH11 ARG 14 42.308 5.742 0.826
108 HH12 ARG 14 HH12 ARG 14 42.433 4.615 2.135
109 HH21 ARG 14 HH21 ARG 14 45.297 6.061 3.454
110 HH22 ARG 14 HH22 ARG 14 44.125 4.797 3.624
111 H PHE 15 HN PHE 15 45.358 13.540 -0.750
112 HA PHE 15 HA PHE 15 44.010 15.375 -1.148
113 HB2 PHE 15 HB2 PHE 15 42.487 13.196 -2.627
114 HB3 PHE 15 HB1 PHE 15 41.903 14.874 -2.591
115 HD1 PHE 15 HD1 PHE 15 44.326 12.547 -4.024
116 HD2 PHE 15 HD2 PHE 15 43.402 16.727 -3.462
117 HE1 PHE 15 HE1 PHE 15 45.919 13.146 -5.845
118 HE2 PHE 15 HE2 PHE 15 44.995 17.323 -5.282
119 HZ PHE 15 HZ PHE 15 46.247 15.532 -6.479
120 H ILE 16 HN ILE 16 43.794 15.341 1.177
121 HA ILE 16 HA ILE 16 42.459 15.844 2.987
122 HB ILE 16 HB ILE 16 39.986 14.934 1.470
123 HG12 ILE 16 HG12 ILE 16 40.855 16.614 0.019
124 HG13 ILE 16 HG11 ILE 16 39.718 17.492 1.054
125 HG21 ILE 16 HG21 ILE 16 40.474 16.710 3.890
126 HG22 ILE 16 HG22 ILE 16 39.609 15.163 3.824
127 HG23 ILE 16 HG23 ILE 16 38.911 16.600 3.049
128 HD11 ILE 16 HD1 ILE 16 41.725 18.094 2.538
129 HD12 ILE 16 HD2 ILE 16 41.705 18.837 0.927
130 HD13 ILE 16 HD3 ILE 16 42.758 17.442 1.248
131 H HIS 17 HN HIS 17 41.725 12.829 1.228
132 HA HIS 17 HA HIS 17 42.510 10.964 3.070
133 HB2 HIS 17 HB2 HIS 17 39.985 12.253 4.069
134 HB3 HIS 17 HB1 HIS 17 40.040 10.486 4.176
135 HD1 HIS 17 HD1 HIS 17 40.657 13.231 6.257
136 HD2 HIS 17 HD2 HIS 17 42.961 9.852 5.275
137 HE1 HIS 17 HE1 HIS 17 42.367 12.906 8.128
138 H GLY 18 HN GLY 18 42.458 10.638 0.447
139 HA2 GLY 18 HA1 GLY 18 41.733 8.660 -0.808
140 HA3 GLY 18 HA2 GLY 18 40.147 8.756 -0.022
141 H MET 19 HN MET 19 39.993 11.569 -0.162
142 HA MET 19 HA MET 19 40.211 13.124 -2.114
143 HB2 MET 19 HB2 MET 19 40.146 11.727 -4.012
144 HB3 MET 19 HB1 MET 19 38.643 10.959 -3.490
145 HG2 MET 19 HG2 MET 19 37.382 12.996 -3.943
146 HG3 MET 19 HG1 MET 19 38.887 13.896 -4.250
147 HE1 MET 19 HE1 MET 19 36.898 13.456 -7.669
148 HE2 MET 19 HE2 MET 19 37.594 14.646 -6.543
149 HE3 MET 19 HE3 MET 19 36.257 13.596 -6.015
150 H ILE 20 HN ILE 20 39.559 14.482 -0.640
151 HA ILE 20 HA ILE 20 38.007 15.786 0.503
152 HB ILE 20 HB ILE 20 35.832 14.797 -1.399
153 HG12 ILE 20 HG12 ILE 20 37.963 16.920 -1.933
154 HG13 ILE 20 HG11 ILE 20 37.798 15.367 -2.780
155 HG21 ILE 20 HG21 ILE 20 36.308 17.606 -0.317
156 HG22 ILE 20 HG22 ILE 20 35.422 16.387 0.626
157 HG23 ILE 20 HG23 ILE 20 34.804 16.902 -0.959
158 HD11 ILE 20 HD1 ILE 20 35.398 16.139 -3.373
159 HD12 ILE 20 HD2 ILE 20 36.744 16.948 -4.212
160 HD13 ILE 20 HD3 ILE 20 35.929 17.758 -2.854
161 H GLN 21 HN GLN 21 38.615 12.967 0.780
162 HA GLN 21 HA GLN 21 38.096 11.396 2.458
163 HB2 GLN 21 HB2 GLN 21 35.282 12.531 2.750
164 HB3 GLN 21 HB1 GLN 21 36.157 11.449 3.848
165 HG2 GLN 21 HG2 GLN 21 37.902 13.427 4.017
166 HG3 GLN 21 HG1 GLN 21 36.563 14.425 3.407
167 HE21 GLN 21 HE21 GLN 21 35.619 15.480 5.145
168 HE22 GLN 21 HE22 GLN 21 35.237 14.707 6.688
169 H ASN 22 HN ASN 22 38.011 11.364 -0.267
170 HA ASN 22 HA ASN 22 37.012 10.416 -2.122
171 HB2 ASN 22 HB2 ASN 22 36.651 7.945 -1.799
172 HB3 ASN 22 HB1 ASN 22 38.238 8.599 -1.296
173 HD21 ASN 22 HD21 ASN 22 38.664 8.817 1.039
174 HD22 ASN 22 HD22 ASN 22 37.677 7.941 2.212
175 H HIS 23 HN HIS 23 35.347 12.083 -1.551
176 HA HIS 23 HA HIS 23 32.774 11.269 -0.588
177 HB2 HIS 23 HB2 HIS 23 33.563 13.637 -1.016
178 HB3 HIS 23 HB1 HIS 23 33.308 13.340 -2.752
179 HD1 HIS 23 HD1 HIS 23 30.864 13.084 -3.610
180 HD2 HIS 23 HD2 HIS 23 31.169 13.854 0.515
181 HE1 HIS 23 HE1 HIS 23 28.523 13.670 -2.770
182 H HIS 24 HN HIS 24 34.039 11.443 -3.947
183 HA HIS 24 HA HIS 24 33.256 10.450 -5.893
184 HB2 HIS 24 HB2 HIS 24 33.914 8.408 -4.667
185 HB3 HIS 24 HB1 HIS 24 32.292 8.322 -3.939
186 HD1 HIS 24 HD1 HIS 24 32.626 9.448 -7.514
187 HD2 HIS 24 HD2 HIS 24 31.810 5.886 -5.431
188 HE1 HIS 24 HE1 HIS 24 31.679 7.779 -9.200
Start of MODEL 84
1 H1 PHE 1 HT1 PHE 1 55.763 6.111 -13.499
2 H2 PHE 1 HT2 PHE 1 57.141 6.271 -12.517
3 H3 PHE 1 HT3 PHE 1 56.859 7.373 -13.778
4 HA PHE 1 HA PHE 1 56.286 8.487 -11.845
5 HB2 PHE 1 HB2 PHE 1 53.666 7.376 -12.907
6 HB3 PHE 1 HB1 PHE 1 53.986 8.996 -12.241
7 HD1 PHE 1 HD1 PHE 1 55.224 10.680 -13.545
8 HD2 PHE 1 HD2 PHE 1 54.378 6.772 -15.170
9 HE1 PHE 1 HE1 PHE 1 55.815 11.499 -15.823
10 HE2 PHE 1 HE2 PHE 1 54.969 7.590 -17.447
11 HZ PHE 1 HZ PHE 1 55.759 9.933 -17.761
12 H LEU 2 HN LEU 2 57.196 6.918 -10.229
13 HA LEU 2 HA LEU 2 55.391 4.992 -9.020
14 HB2 LEU 2 HB2 LEU 2 58.032 5.180 -8.982
15 HB3 LEU 2 HB1 LEU 2 57.757 6.206 -7.560
16 HG LEU 2 HG LEU 2 56.767 3.340 -7.939
17 HD11 LEU 2 HD11 LEU 2 58.384 2.785 -6.200
18 HD12 LEU 2 HD12 LEU 2 58.815 4.500 -6.000
19 HD13 LEU 2 HD13 LEU 2 59.229 3.648 -7.506
20 HD21 LEU 2 HD21 LEU 2 56.343 5.408 -5.743
21 HD22 LEU 2 HD22 LEU 2 56.224 3.662 -5.416
22 HD23 LEU 2 HD23 LEU 2 55.125 4.423 -6.589
23 H GLY 3 HN GLY 3 53.470 6.193 -8.666
24 HA2 GLY 3 HA1 GLY 3 53.617 8.368 -6.617
25 HA3 GLY 3 HA2 GLY 3 52.231 7.976 -7.653
26 H ALA 4 HN ALA 4 54.089 7.031 -4.798
27 HA ALA 4 HA ALA 4 51.716 6.170 -3.417
28 HB1 ALA 4 HB1 ALA 4 53.509 4.001 -4.552
29 HB2 ALA 4 HB2 ALA 4 51.764 4.222 -4.821
30 HB3 ALA 4 HB3 ALA 4 52.364 3.739 -3.216
31 H LEU 5 HN LEU 5 54.720 4.342 -3.185
32 HA LEU 5 HA LEU 5 55.107 4.871 -0.439
33 HB2 LEU 5 HB2 LEU 5 56.996 4.052 -2.671
34 HB3 LEU 5 HB1 LEU 5 57.579 4.259 -1.002
35 HG LEU 5 HG LEU 5 55.852 2.630 -0.222
36 HD11 LEU 5 HD11 LEU 5 54.112 2.780 -1.842
37 HD12 LEU 5 HD12 LEU 5 54.836 1.183 -2.126
38 HD13 LEU 5 HD13 LEU 5 55.234 2.544 -3.202
39 HD21 LEU 5 HD21 LEU 5 58.153 1.891 -0.789
40 HD22 LEU 5 HD22 LEU 5 57.650 1.621 -2.476
41 HD23 LEU 5 HD23 LEU 5 56.961 0.625 -1.171
42 H ILE 6 HN ILE 6 55.480 6.976 -3.100
43 HA ILE 6 HA ILE 6 56.674 9.046 -1.288
44 HB ILE 6 HB ILE 6 58.400 9.682 -2.956
45 HG12 ILE 6 HG12 ILE 6 57.426 7.201 -4.452
46 HG13 ILE 6 HG11 ILE 6 57.294 8.884 -5.009
47 HG21 ILE 6 HG21 ILE 6 58.675 6.704 -2.393
48 HG22 ILE 6 HG22 ILE 6 58.831 7.944 -1.124
49 HG23 ILE 6 HG23 ILE 6 59.966 7.927 -2.494
50 HD11 ILE 6 HD1 ILE 6 59.784 7.173 -4.721
51 HD12 ILE 6 HD2 ILE 6 59.895 8.950 -4.759
52 HD13 ILE 6 HD3 ILE 6 59.207 8.069 -6.145
53 H LYS 7 HN LYS 7 57.249 10.742 -3.711
54 HA LYS 7 HA LYS 7 56.012 12.506 -4.580
55 HB2 LYS 7 HB2 LYS 7 54.962 10.550 -5.995
56 HB3 LYS 7 HB1 LYS 7 53.607 10.643 -4.844
57 HG2 LYS 7 HG2 LYS 7 53.363 13.076 -5.375
58 HG3 LYS 7 HG1 LYS 7 54.658 12.917 -6.585
59 HD2 LYS 7 HD2 LYS 7 53.289 11.141 -7.732
60 HD3 LYS 7 HD1 LYS 7 51.969 11.482 -6.588
61 HE2 LYS 7 HE2 LYS 7 53.241 13.508 -8.481
62 HE3 LYS 7 HE1 LYS 7 51.657 12.727 -8.711
63 HZ1 LYS 7 HZ1 LYS 7 52.440 14.480 -6.434
64 HZ2 LYS 7 HZ2 LYS 7 50.943 13.694 -6.595
65 HZ3 LYS 7 HZ3 LYS 7 51.399 14.896 -7.705
66 H GLY 8 HN GLY 8 56.292 11.423 -2.116
67 HA2 GLY 8 HA1 GLY 8 55.631 11.236 -0.005
68 HA3 GLY 8 HA2 GLY 8 55.328 13.005 -0.188
69 H ALA 9 HN ALA 9 53.888 9.800 -0.650
70 HA ALA 9 HA ALA 9 51.794 8.987 -0.194
71 HB1 ALA 9 HB1 ALA 9 50.423 10.005 1.429
72 HB2 ALA 9 HB2 ALA 9 50.976 11.643 1.016
73 HB3 ALA 9 HB3 ALA 9 52.062 10.529 1.879
74 H ILE 10 HN ILE 10 51.845 9.183 -2.580
75 HA ILE 10 HA ILE 10 51.013 9.974 -4.604
76 HB ILE 10 HB ILE 10 48.408 10.132 -4.581
77 HG12 ILE 10 HG12 ILE 10 48.877 9.136 -1.727
78 HG13 ILE 10 HG11 ILE 10 48.185 10.719 -2.165
79 HG21 ILE 10 HG21 ILE 10 49.778 8.083 -5.150
80 HG22 ILE 10 HG22 ILE 10 48.196 7.713 -4.434
81 HG23 ILE 10 HG23 ILE 10 49.668 7.599 -3.441
82 HD11 ILE 10 HD1 ILE 10 46.474 9.220 -3.564
83 HD12 ILE 10 HD2 ILE 10 46.239 9.457 -1.818
84 HD13 ILE 10 HD3 ILE 10 46.979 7.955 -2.420
85 H HIS 11 HN HIS 11 48.256 11.737 -3.866
86 HA HIS 11 HA HIS 11 49.666 14.232 -4.605
87 HB2 HIS 11 HB2 HIS 11 47.435 13.579 -5.574
88 HB3 HIS 11 HB1 HIS 11 46.730 13.792 -3.956
89 HD1 HIS 11 HD1 HIS 11 49.500 16.103 -4.957
90 HD2 HIS 11 HD2 HIS 11 45.298 16.124 -4.831
91 HE1 HIS 11 HE1 HIS 11 48.738 18.512 -5.336
92 H GLY 12 HN GLY 12 50.344 13.043 -2.049
93 HA2 GLY 12 HA1 GLY 12 50.729 13.815 0.105
94 HA3 GLY 12 HA2 GLY 12 50.129 15.403 -0.415
95 H GLY 13 HN GLY 13 48.408 12.294 -0.517
96 HA2 GLY 13 HA1 GLY 13 46.436 11.639 0.510
97 HA3 GLY 13 HA2 GLY 13 46.936 12.630 1.899
98 H ARG 14 HN ARG 14 45.825 13.075 -1.470
99 HA ARG 14 HA ARG 14 43.535 14.679 -0.533
100 HB2 ARG 14 HB2 ARG 14 45.277 16.399 -0.501
101 HB3 ARG 14 HB1 ARG 14 45.814 15.933 -2.129
102 HG2 ARG 14 HG2 ARG 14 44.378 17.984 -2.128
103 HG3 ARG 14 HG1 ARG 14 43.679 16.666 -3.092
104 HD2 ARG 14 HD2 ARG 14 42.129 17.979 -1.424
105 HD3 ARG 14 HD1 ARG 14 42.009 16.206 -1.481
106 HE ARG 14 HE ARG 14 43.944 17.126 0.499
107 HH11 ARG 14 HH11 ARG 14 41.228 15.284 0.028
108 HH12 ARG 14 HH12 ARG 14 40.500 15.610 1.566
109 HH21 ARG 14 HH21 ARG 14 42.750 18.115 2.397
110 HH22 ARG 14 HH22 ARG 14 41.362 17.213 2.908
111 H PHE 15 HN PHE 15 45.405 12.919 -2.827
112 HA PHE 15 HA PHE 15 44.173 13.392 -5.278
113 HB2 PHE 15 HB2 PHE 15 45.989 11.693 -4.760
114 HB3 PHE 15 HB1 PHE 15 44.702 10.608 -4.184
115 HD1 PHE 15 HD1 PHE 15 43.072 9.635 -5.734
116 HD2 PHE 15 HD2 PHE 15 46.171 12.289 -7.140
117 HE1 PHE 15 HE1 PHE 15 42.604 8.939 -8.080
118 HE2 PHE 15 HE2 PHE 15 45.704 11.593 -9.487
119 HZ PHE 15 HZ PHE 15 43.936 9.899 -9.954
120 H ILE 16 HN ILE 16 42.882 11.558 -2.499
121 HA ILE 16 HA ILE 16 40.281 11.298 -4.001
122 HB ILE 16 HB ILE 16 41.268 9.116 -3.509
123 HG12 ILE 16 HG12 ILE 16 38.898 9.681 -1.667
124 HG13 ILE 16 HG11 ILE 16 38.781 9.522 -3.435
125 HG21 ILE 16 HG21 ILE 16 42.424 10.103 -1.311
126 HG22 ILE 16 HG22 ILE 16 41.976 8.386 -1.411
127 HG23 ILE 16 HG23 ILE 16 40.936 9.521 -0.526
128 HD11 ILE 16 HD1 ILE 16 38.255 7.366 -2.435
129 HD12 ILE 16 HD2 ILE 16 39.750 7.404 -1.471
130 HD13 ILE 16 HD3 ILE 16 39.837 7.242 -3.241
131 H HIS 17 HN HIS 17 41.286 11.271 -0.476
132 HA HIS 17 HA HIS 17 39.667 13.678 -0.008
133 HB2 HIS 17 HB2 HIS 17 38.505 10.941 0.611
134 HB3 HIS 17 HB1 HIS 17 38.044 12.355 1.581
135 HD1 HIS 17 HD1 HIS 17 37.687 14.570 -0.386
136 HD2 HIS 17 HD2 HIS 17 36.489 10.628 -1.233
137 HE1 HIS 17 HE1 HIS 17 35.918 14.691 -2.225
138 H GLY 18 HN GLY 18 42.307 13.170 0.619
139 HA2 GLY 18 HA1 GLY 18 43.293 13.997 2.732
140 HA3 GLY 18 HA2 GLY 18 42.187 12.934 3.622
141 H MET 19 HN MET 19 42.376 10.765 1.846
142 HA MET 19 HA MET 19 44.443 9.582 0.959
143 HB2 MET 19 HB2 MET 19 46.186 10.233 2.395
144 HB3 MET 19 HB1 MET 19 45.234 9.906 3.843
145 HG2 MET 19 HG2 MET 19 45.439 7.518 3.535
146 HG3 MET 19 HG1 MET 19 46.089 7.739 1.893
147 HE1 MET 19 HE1 MET 19 48.637 7.251 1.588
148 HE2 MET 19 HE2 MET 19 47.792 6.055 2.598
149 HE3 MET 19 HE3 MET 19 49.417 6.617 3.058
150 H ILE 20 HN ILE 20 42.838 8.427 0.167
151 HA ILE 20 HA ILE 20 41.371 6.627 0.074
152 HB ILE 20 HB ILE 20 42.557 5.552 2.678
153 HG12 ILE 20 HG12 ILE 20 43.718 5.294 -0.139
154 HG13 ILE 20 HG11 ILE 20 44.447 6.200 1.202
155 HG21 ILE 20 HG21 ILE 20 41.715 4.025 0.178
156 HG22 ILE 20 HG22 ILE 20 40.534 4.491 1.420
157 HG23 ILE 20 HG23 ILE 20 41.888 3.422 1.842
158 HD11 ILE 20 HD1 ILE 20 44.364 3.972 2.525
159 HD12 ILE 20 HD2 ILE 20 45.571 4.106 1.224
160 HD13 ILE 20 HD3 ILE 20 44.066 3.200 0.948
161 H GLN 21 HN GLN 21 41.234 9.129 1.609
162 HA GLN 21 HA GLN 21 39.407 10.191 2.665
163 HB2 GLN 21 HB2 GLN 21 38.046 7.945 2.187
164 HB3 GLN 21 HB1 GLN 21 38.403 7.594 3.893
165 HG2 GLN 21 HG2 GLN 21 37.395 9.761 4.553
166 HG3 GLN 21 HG1 GLN 21 37.033 10.111 2.845
167 HE21 GLN 21 HE21 GLN 21 35.509 9.117 5.594
168 HE22 GLN 21 HE22 GLN 21 34.302 8.034 4.892
169 H ASN 22 HN ASN 22 42.044 9.570 3.318
170 HA ASN 22 HA ASN 22 43.523 9.325 5.061
171 HB2 ASN 22 HB2 ASN 22 43.016 11.602 5.308
172 HB3 ASN 22 HB1 ASN 22 41.479 11.260 6.156
173 HD21 ASN 22 HD21 ASN 22 45.073 10.943 6.475
174 HD22 ASN 22 HD22 ASN 22 45.062 10.938 8.241
175 H HIS 23 HN HIS 23 42.588 7.115 4.900
176 HA HIS 23 HA HIS 23 40.930 6.092 7.006
177 HB2 HIS 23 HB2 HIS 23 41.522 4.844 4.941
178 HB3 HIS 23 HB1 HIS 23 43.194 4.690 5.531
179 HD1 HIS 23 HD1 HIS 23 40.637 4.528 8.204
180 HD2 HIS 23 HD2 HIS 23 42.506 1.799 5.607
181 HE1 HIS 23 HE1 HIS 23 40.260 2.187 9.158
182 H HIS 24 HN HIS 24 44.483 5.632 6.705
183 HA HIS 24 HA HIS 24 44.794 4.875 9.453
184 HB2 HIS 24 HB2 HIS 24 46.406 4.416 7.548
185 HB3 HIS 24 HB1 HIS 24 46.914 6.119 7.659
186 HD1 HIS 24 HD1 HIS 24 47.331 2.779 9.247
187 HD2 HIS 24 HD2 HIS 24 48.088 6.786 10.278
188 HE1 HIS 24 HE1 HIS 24 48.936 2.764 11.234
Start of MODEL 85
1 H1 PHE 1 HT1 PHE 1 57.418 10.653 7.721
2 H2 PHE 1 HT2 PHE 1 57.772 12.309 7.851
3 H3 PHE 1 HT3 PHE 1 58.875 11.154 8.429
4 HA PHE 1 HA PHE 1 58.739 12.314 5.922
5 HB2 PHE 1 HB2 PHE 1 60.778 11.716 7.198
6 HB3 PHE 1 HB1 PHE 1 60.401 9.991 6.977
7 HD1 PHE 1 HD1 PHE 1 60.796 8.881 4.863
8 HD2 PHE 1 HD2 PHE 1 61.305 13.153 5.214
9 HE1 PHE 1 HE1 PHE 1 61.904 8.934 2.632
10 HE2 PHE 1 HE2 PHE 1 62.412 13.206 2.983
11 HZ PHE 1 HZ PHE 1 62.731 11.091 1.702
12 H LEU 2 HN LEU 2 57.019 9.646 7.036
13 HA LEU 2 HA LEU 2 55.918 7.911 5.954
14 HB2 LEU 2 HB2 LEU 2 56.209 9.515 3.392
15 HB3 LEU 2 HB1 LEU 2 54.871 8.453 3.896
16 HG LEU 2 HG LEU 2 55.636 11.130 5.148
17 HD11 LEU 2 HD11 LEU 2 54.440 11.160 2.919
18 HD12 LEU 2 HD12 LEU 2 53.517 11.905 4.247
19 HD13 LEU 2 HD13 LEU 2 53.104 10.267 3.684
20 HD21 LEU 2 HD21 LEU 2 53.590 9.004 5.914
21 HD22 LEU 2 HD22 LEU 2 53.423 10.703 6.418
22 HD23 LEU 2 HD23 LEU 2 54.834 9.757 6.940
23 H GLY 3 HN GLY 3 56.102 7.053 3.221
24 HA2 GLY 3 HA1 GLY 3 58.730 6.594 2.308
25 HA3 GLY 3 HA2 GLY 3 58.363 5.298 3.462
26 H ALA 4 HN ALA 4 55.499 6.361 2.093
27 HA ALA 4 HA ALA 4 55.037 3.906 0.710
28 HB1 ALA 4 HB1 ALA 4 52.999 4.908 -0.044
29 HB2 ALA 4 HB2 ALA 4 53.657 6.550 0.163
30 HB3 ALA 4 HB3 ALA 4 53.312 5.541 1.589
31 H LEU 5 HN LEU 5 53.802 5.131 -1.701
32 HA LEU 5 HA LEU 5 56.132 4.838 -3.452
33 HB2 LEU 5 HB2 LEU 5 53.361 5.762 -4.285
34 HB3 LEU 5 HB1 LEU 5 54.570 4.870 -5.240
35 HG LEU 5 HG LEU 5 53.053 3.812 -2.812
36 HD11 LEU 5 HD11 LEU 5 51.981 2.321 -4.436
37 HD12 LEU 5 HD12 LEU 5 52.958 3.013 -5.754
38 HD13 LEU 5 HD13 LEU 5 51.736 4.013 -4.931
39 HD21 LEU 5 HD21 LEU 5 55.214 2.781 -2.770
40 HD22 LEU 5 HD22 LEU 5 55.271 2.644 -4.544
41 HD23 LEU 5 HD23 LEU 5 54.165 1.613 -3.606
42 H ILE 6 HN ILE 6 55.896 7.171 -1.516
43 HA ILE 6 HA ILE 6 56.212 9.494 -1.506
44 HB ILE 6 HB ILE 6 57.582 9.278 -4.230
45 HG12 ILE 6 HG12 ILE 6 58.566 7.996 -1.639
46 HG13 ILE 6 HG11 ILE 6 58.187 7.158 -3.161
47 HG21 ILE 6 HG21 ILE 6 57.494 11.355 -2.648
48 HG22 ILE 6 HG22 ILE 6 59.078 10.872 -3.297
49 HG23 ILE 6 HG23 ILE 6 58.635 10.452 -1.625
50 HD11 ILE 6 HD1 ILE 6 60.469 9.084 -2.594
51 HD12 ILE 6 HD2 ILE 6 59.969 8.675 -4.253
52 HD13 ILE 6 HD3 ILE 6 60.562 7.401 -3.160
53 H LYS 7 HN LYS 7 56.634 10.991 -4.178
54 HA LYS 7 HA LYS 7 55.174 12.504 -5.198
55 HB2 LYS 7 HB2 LYS 7 53.039 10.322 -5.248
56 HB3 LYS 7 HB1 LYS 7 53.272 11.655 -6.403
57 HG2 LYS 7 HG2 LYS 7 55.174 9.301 -6.011
58 HG3 LYS 7 HG1 LYS 7 54.020 9.485 -7.352
59 HD2 LYS 7 HD2 LYS 7 55.176 11.715 -7.870
60 HD3 LYS 7 HD1 LYS 7 56.443 11.217 -6.721
61 HE2 LYS 7 HE2 LYS 7 57.093 10.596 -9.012
62 HE3 LYS 7 HE1 LYS 7 56.796 9.133 -8.042
63 HZ1 LYS 7 HZ1 LYS 7 55.762 9.174 -10.318
64 HZ2 LYS 7 HZ2 LYS 7 54.715 10.385 -9.754
65 HZ3 LYS 7 HZ3 LYS 7 54.696 8.843 -9.042
66 H GLY 8 HN GLY 8 55.569 11.748 -2.629
67 HA2 GLY 8 HA1 GLY 8 54.902 11.689 -0.510
68 HA3 GLY 8 HA2 GLY 8 54.365 13.374 -0.876
69 H ALA 9 HN ALA 9 53.465 10.025 -0.452
70 HA ALA 9 HA ALA 9 51.440 8.992 -0.098
71 HB1 ALA 9 HB1 ALA 9 51.543 10.695 1.805
72 HB2 ALA 9 HB2 ALA 9 49.931 10.064 1.391
73 HB3 ALA 9 HB3 ALA 9 50.421 11.684 0.845
74 H ILE 10 HN ILE 10 51.895 9.925 -2.703
75 HA ILE 10 HA ILE 10 50.720 9.987 -4.670
76 HB ILE 10 HB ILE 10 48.763 8.941 -2.925
77 HG12 ILE 10 HG12 ILE 10 48.537 9.425 -5.930
78 HG13 ILE 10 HG11 ILE 10 49.407 8.077 -5.160
79 HG21 ILE 10 HG21 ILE 10 47.720 11.289 -2.860
80 HG22 ILE 10 HG22 ILE 10 46.652 9.981 -3.397
81 HG23 ILE 10 HG23 ILE 10 47.378 11.079 -4.592
82 HD11 ILE 10 HD1 ILE 10 47.100 7.601 -3.969
83 HD12 ILE 10 HD2 ILE 10 47.318 7.106 -5.664
84 HD13 ILE 10 HD3 ILE 10 46.422 8.594 -5.283
85 H HIS 11 HN HIS 11 49.717 12.251 -2.121
86 HA HIS 11 HA HIS 11 50.265 14.495 -3.889
87 HB2 HIS 11 HB2 HIS 11 48.030 13.797 -4.748
88 HB3 HIS 11 HB1 HIS 11 47.359 14.034 -3.116
89 HD1 HIS 11 HD1 HIS 11 46.383 16.287 -2.714
90 HD2 HIS 11 HD2 HIS 11 49.350 16.366 -5.693
91 HE1 HIS 11 HE1 HIS 11 46.543 18.690 -3.568
92 H GLY 12 HN GLY 12 49.930 13.050 -0.920
93 HA2 GLY 12 HA1 GLY 12 50.643 14.016 1.120
94 HA3 GLY 12 HA2 GLY 12 50.400 15.639 0.454
95 H GLY 13 HN GLY 13 48.116 12.893 0.528
96 HA2 GLY 13 HA1 GLY 13 46.638 13.461 2.795
97 HA3 GLY 13 HA2 GLY 13 46.032 14.629 1.609
98 H ARG 14 HN ARG 14 47.135 11.850 0.012
99 HA ARG 14 HA ARG 14 45.869 10.211 -1.100
100 HB2 ARG 14 HB2 ARG 14 44.102 10.158 1.325
101 HB3 ARG 14 HB1 ARG 14 44.579 8.817 0.270
102 HG2 ARG 14 HG2 ARG 14 46.919 9.032 1.070
103 HG3 ARG 14 HG1 ARG 14 46.410 10.327 2.178
104 HD2 ARG 14 HD2 ARG 14 45.054 7.610 2.238
105 HD3 ARG 14 HD1 ARG 14 46.565 7.908 3.129
106 HE ARG 14 HE ARG 14 43.928 8.944 3.834
107 HH11 ARG 14 HH11 ARG 14 44.314 11.337 4.500
108 HH12 ARG 14 HH12 ARG 14 45.584 11.505 5.665
109 HH21 ARG 14 HH21 ARG 14 46.877 8.337 5.105
110 HH22 ARG 14 HH22 ARG 14 47.034 9.805 6.009
111 H PHE 15 HN PHE 15 45.148 13.151 -0.950
112 HA PHE 15 HA PHE 15 43.595 14.531 -1.923
113 HB2 PHE 15 HB2 PHE 15 43.758 12.724 -3.740
114 HB3 PHE 15 HB1 PHE 15 42.253 12.062 -3.073
115 HD1 PHE 15 HD1 PHE 15 43.798 15.181 -4.466
116 HD2 PHE 15 HD2 PHE 15 40.138 13.055 -3.622
117 HE1 PHE 15 HE1 PHE 15 42.509 16.897 -5.731
118 HE2 PHE 15 HE2 PHE 15 38.850 14.769 -4.890
119 HZ PHE 15 HZ PHE 15 40.045 16.649 -6.006
120 H ILE 16 HN ILE 16 43.269 13.736 0.681
121 HA ILE 16 HA ILE 16 41.551 14.574 2.141
122 HB ILE 16 HB ILE 16 39.528 13.161 0.338
123 HG12 ILE 16 HG12 ILE 16 39.491 16.126 1.025
124 HG13 ILE 16 HG11 ILE 16 40.633 15.588 -0.213
125 HG21 ILE 16 HG21 ILE 16 38.739 12.918 2.566
126 HG22 ILE 16 HG22 ILE 16 37.899 14.354 1.940
127 HG23 ILE 16 HG23 ILE 16 39.294 14.544 3.029
128 HD11 ILE 16 HD1 ILE 16 38.573 16.255 -1.306
129 HD12 ILE 16 HD2 ILE 16 37.609 15.212 -0.236
130 HD13 ILE 16 HD3 ILE 16 38.715 14.488 -1.429
131 H HIS 17 HN HIS 17 41.724 11.327 0.706
132 HA HIS 17 HA HIS 17 42.605 9.936 2.936
133 HB2 HIS 17 HB2 HIS 17 39.710 10.627 3.277
134 HB3 HIS 17 HB1 HIS 17 40.112 8.936 3.609
135 HD1 HIS 17 HD1 HIS 17 42.897 11.290 4.326
136 HD2 HIS 17 HD2 HIS 17 39.659 9.596 6.410
137 HE1 HIS 17 HE1 HIS 17 43.306 11.679 6.817
138 H GLY 18 HN GLY 18 42.854 9.673 0.150
139 HA2 GLY 18 HA1 GLY 18 43.151 7.442 -0.905
140 HA3 GLY 18 HA2 GLY 18 41.532 6.997 -0.321
141 H MET 19 HN MET 19 40.304 9.371 -0.696
142 HA MET 19 HA MET 19 40.303 10.823 -2.859
143 HB2 MET 19 HB2 MET 19 39.883 8.081 -3.902
144 HB3 MET 19 HB1 MET 19 38.700 9.256 -4.489
145 HG2 MET 19 HG2 MET 19 40.348 10.573 -5.549
146 HG3 MET 19 HG1 MET 19 41.666 9.905 -4.559
147 HE1 MET 19 HE1 MET 19 39.988 9.775 -8.010
148 HE2 MET 19 HE2 MET 19 38.800 9.061 -6.893
149 HE3 MET 19 HE3 MET 19 39.533 8.062 -8.171
150 H ILE 20 HN ILE 20 39.251 12.004 -1.378
151 HA ILE 20 HA ILE 20 37.315 12.871 -0.403
152 HB ILE 20 HB ILE 20 35.613 11.140 -2.253
153 HG12 ILE 20 HG12 ILE 20 37.062 13.740 -2.951
154 HG13 ILE 20 HG11 ILE 20 37.352 12.148 -3.685
155 HG21 ILE 20 HG21 ILE 20 34.672 12.696 -0.385
156 HG22 ILE 20 HG22 ILE 20 33.995 12.873 -2.016
157 HG23 ILE 20 HG23 ILE 20 35.198 14.042 -1.420
158 HD11 ILE 20 HD1 ILE 20 34.900 13.919 -3.936
159 HD12 ILE 20 HD2 ILE 20 34.837 12.181 -4.322
160 HD13 ILE 20 HD3 ILE 20 35.927 13.258 -5.228
161 H GLN 21 HN GLN 21 38.689 10.267 -0.026
162 HA GLN 21 HA GLN 21 38.575 8.797 1.843
163 HB2 GLN 21 HB2 GLN 21 36.443 10.154 2.656
164 HB3 GLN 21 HB1 GLN 21 35.533 8.846 1.865
165 HG2 GLN 21 HG2 GLN 21 36.769 7.173 3.227
166 HG3 GLN 21 HG1 GLN 21 37.649 8.492 4.036
167 HE21 GLN 21 HE21 GLN 21 35.659 6.467 5.169
168 HE22 GLN 21 HE22 GLN 21 34.413 7.467 5.924
169 H ASN 22 HN ASN 22 38.641 8.634 -0.933
170 HA ASN 22 HA ASN 22 38.184 7.267 -2.731
171 HB2 ASN 22 HB2 ASN 22 38.609 4.842 -2.211
172 HB3 ASN 22 HB1 ASN 22 39.854 5.992 -1.639
173 HD21 ASN 22 HD21 ASN 22 40.460 5.742 0.514
174 HD22 ASN 22 HD22 ASN 22 39.458 4.981 1.753
175 H HIS 23 HN HIS 23 35.992 8.380 -2.161
176 HA HIS 23 HA HIS 23 33.671 8.170 -2.271
177 HB2 HIS 23 HB2 HIS 23 34.390 5.502 -3.550
178 HB3 HIS 23 HB1 HIS 23 32.806 6.308 -3.649
179 HD1 HIS 23 HD1 HIS 23 33.435 9.169 -4.252
180 HD2 HIS 23 HD2 HIS 23 35.669 6.028 -5.933
181 HE1 HIS 23 HE1 HIS 23 34.534 10.068 -6.376
182 H HIS 24 HN HIS 24 33.282 8.111 -0.037
183 HA HIS 24 HA HIS 24 32.547 7.168 1.953
184 HB2 HIS 24 HB2 HIS 24 31.498 4.954 0.148
185 HB3 HIS 24 HB1 HIS 24 30.893 5.406 1.761
186 HD1 HIS 24 HD1 HIS 24 29.598 7.683 1.993
187 HD2 HIS 24 HD2 HIS 24 30.697 6.703 -1.946
188 HE1 HIS 24 HE1 HIS 24 28.262 9.199 0.431
Start of MODEL 86
1 H1 PHE 1 HT1 PHE 1 63.239 5.832 0.212
2 H2 PHE 1 HT2 PHE 1 62.887 7.132 1.247
3 H3 PHE 1 HT3 PHE 1 61.676 6.487 0.245
4 HA PHE 1 HA PHE 1 63.045 4.985 2.381
5 HB2 PHE 1 HB2 PHE 1 60.395 6.482 2.370
6 HB3 PHE 1 HB1 PHE 1 60.849 5.272 3.595
7 HD1 PHE 1 HD1 PHE 1 63.001 5.630 4.934
8 HD2 PHE 1 HD2 PHE 1 61.208 8.727 2.521
9 HE1 PHE 1 HE1 PHE 1 64.300 7.352 6.180
10 HE2 PHE 1 HE2 PHE 1 62.508 10.450 3.768
11 HZ PHE 1 HZ PHE 1 64.024 9.765 5.623
12 H LEU 2 HN LEU 2 59.657 5.119 1.343
13 HA LEU 2 HA LEU 2 59.548 2.234 1.079
14 HB2 LEU 2 HB2 LEU 2 57.537 4.225 -0.029
15 HB3 LEU 2 HB1 LEU 2 57.250 2.551 0.498
16 HG LEU 2 HG LEU 2 58.119 4.847 2.316
17 HD11 LEU 2 HD11 LEU 2 55.802 5.105 1.505
18 HD12 LEU 2 HD12 LEU 2 55.813 4.647 3.226
19 HD13 LEU 2 HD13 LEU 2 55.437 3.430 1.982
20 HD21 LEU 2 HD21 LEU 2 58.945 2.816 3.272
21 HD22 LEU 2 HD22 LEU 2 57.504 1.897 2.776
22 HD23 LEU 2 HD23 LEU 2 57.391 3.093 4.090
23 H GLY 3 HN GLY 3 60.504 4.792 -1.015
24 HA2 GLY 3 HA1 GLY 3 61.037 4.831 -3.267
25 HA3 GLY 3 HA2 GLY 3 61.422 3.111 -3.064
26 H ALA 4 HN ALA 4 58.238 4.627 -2.649
27 HA ALA 4 HA ALA 4 57.296 3.848 -5.292
28 HB1 ALA 4 HB1 ALA 4 55.669 2.140 -4.469
29 HB2 ALA 4 HB2 ALA 4 56.495 2.166 -2.893
30 HB3 ALA 4 HB3 ALA 4 57.365 1.617 -4.345
31 H LEU 5 HN LEU 5 55.430 3.530 -2.292
32 HA LEU 5 HA LEU 5 53.570 5.589 -3.195
33 HB2 LEU 5 HB2 LEU 5 53.717 4.402 -0.404
34 HB3 LEU 5 HB1 LEU 5 52.294 5.032 -1.268
35 HG LEU 5 HG LEU 5 53.884 2.524 -1.968
36 HD11 LEU 5 HD11 LEU 5 50.981 2.862 -1.101
37 HD12 LEU 5 HD12 LEU 5 52.303 2.431 0.009
38 HD13 LEU 5 HD13 LEU 5 51.867 1.335 -1.325
39 HD21 LEU 5 HD21 LEU 5 51.916 2.249 -3.636
40 HD22 LEU 5 HD22 LEU 5 53.166 3.440 -4.058
41 HD23 LEU 5 HD23 LEU 5 51.612 3.984 -3.380
42 H ILE 6 HN ILE 6 55.163 7.330 -3.431
43 HA ILE 6 HA ILE 6 55.529 8.780 -0.782
44 HB ILE 6 HB ILE 6 57.690 9.659 -1.634
45 HG12 ILE 6 HG12 ILE 6 57.168 7.803 -4.006
46 HG13 ILE 6 HG11 ILE 6 57.235 9.579 -4.056
47 HG21 ILE 6 HG21 ILE 6 57.741 6.632 -1.927
48 HG22 ILE 6 HG22 ILE 6 57.508 7.437 -0.358
49 HG23 ILE 6 HG23 ILE 6 59.010 7.695 -1.273
50 HD11 ILE 6 HD1 ILE 6 59.499 7.613 -3.581
51 HD12 ILE 6 HD2 ILE 6 59.639 9.317 -3.084
52 HD13 ILE 6 HD3 ILE 6 59.385 8.906 -4.797
53 H LYS 7 HN LYS 7 56.835 11.016 -2.332
54 HA LYS 7 HA LYS 7 55.927 13.068 -2.963
55 HB2 LYS 7 HB2 LYS 7 55.387 11.744 -5.147
56 HB3 LYS 7 HB1 LYS 7 53.764 11.510 -4.464
57 HG2 LYS 7 HG2 LYS 7 53.431 13.461 -5.728
58 HG3 LYS 7 HG1 LYS 7 53.821 14.147 -4.137
59 HD2 LYS 7 HD2 LYS 7 55.258 15.394 -5.509
60 HD3 LYS 7 HD1 LYS 7 56.335 14.058 -5.054
61 HE2 LYS 7 HE2 LYS 7 55.783 12.883 -7.165
62 HE3 LYS 7 HE1 LYS 7 54.672 14.199 -7.611
63 HZ1 LYS 7 HZ1 LYS 7 57.306 15.108 -6.880
64 HZ2 LYS 7 HZ2 LYS 7 56.359 15.493 -8.237
65 HZ3 LYS 7 HZ3 LYS 7 57.309 14.085 -8.233
66 H GLY 8 HN GLY 8 55.434 11.327 -0.951
67 HA2 GLY 8 HA1 GLY 8 54.152 10.621 0.715
68 HA3 GLY 8 HA2 GLY 8 53.880 12.389 0.960
69 H ALA 9 HN ALA 9 52.592 9.352 -0.022
70 HA ALA 9 HA ALA 9 50.530 8.661 -0.790
71 HB1 ALA 9 HB1 ALA 9 48.620 9.696 0.532
72 HB2 ALA 9 HB2 ALA 9 49.828 10.775 1.269
73 HB3 ALA 9 HB3 ALA 9 49.947 9.015 1.502
74 H ILE 10 HN ILE 10 51.634 10.202 -2.663
75 HA ILE 10 HA ILE 10 51.305 11.858 -4.263
76 HB ILE 10 HB ILE 10 48.971 11.510 -5.454
77 HG12 ILE 10 HG12 ILE 10 48.084 10.246 -3.322
78 HG13 ILE 10 HG11 ILE 10 47.688 9.616 -4.922
79 HG21 ILE 10 HG21 ILE 10 51.182 9.435 -5.262
80 HG22 ILE 10 HG22 ILE 10 50.963 10.717 -6.474
81 HG23 ILE 10 HG23 ILE 10 49.855 9.326 -6.443
82 HD11 ILE 10 HD1 ILE 10 49.245 7.828 -4.741
83 HD12 ILE 10 HD2 ILE 10 48.479 7.914 -3.142
84 HD13 ILE 10 HD3 ILE 10 50.103 8.581 -3.381
85 H HIS 11 HN HIS 11 47.841 11.932 -3.712
86 HA HIS 11 HA HIS 11 47.751 14.747 -3.644
87 HB2 HIS 11 HB2 HIS 11 45.749 12.971 -2.220
88 HB3 HIS 11 HB1 HIS 11 45.473 14.537 -3.023
89 HD1 HIS 11 HD1 HIS 11 46.899 14.114 -5.703
90 HD2 HIS 11 HD2 HIS 11 44.351 11.276 -3.934
91 HE1 HIS 11 HE1 HIS 11 46.086 12.558 -7.558
92 H GLY 12 HN GLY 12 49.178 12.776 -1.310
93 HA2 GLY 12 HA1 GLY 12 48.260 14.230 1.053
94 HA3 GLY 12 HA2 GLY 12 49.640 13.118 0.957
95 H GLY 13 HN GLY 13 49.760 15.340 -1.529
96 HA2 GLY 13 HA1 GLY 13 50.889 17.615 -0.166
97 HA3 GLY 13 HA2 GLY 13 52.167 16.542 -0.774
98 H ARG 14 HN ARG 14 50.370 15.643 -3.011
99 HA ARG 14 HA ARG 14 51.262 17.595 -4.945
100 HB2 ARG 14 HB2 ARG 14 50.773 15.047 -5.221
101 HB3 ARG 14 HB1 ARG 14 49.080 15.537 -5.442
102 HG2 ARG 14 HG2 ARG 14 51.431 16.606 -7.081
103 HG3 ARG 14 HG1 ARG 14 50.341 15.307 -7.606
104 HD2 ARG 14 HD2 ARG 14 48.445 17.124 -7.060
105 HD3 ARG 14 HD1 ARG 14 49.789 18.260 -7.329
106 HE ARG 14 HE ARG 14 49.861 16.471 -9.491
107 HH11 ARG 14 HH11 ARG 14 48.078 19.093 -8.199
108 HH12 ARG 14 HH12 ARG 14 47.091 19.302 -9.606
109 HH21 ARG 14 HH21 ARG 14 48.400 16.551 -11.259
110 HH22 ARG 14 HH22 ARG 14 47.272 17.863 -11.339
111 H PHE 15 HN PHE 15 47.992 16.675 -3.753
112 HA PHE 15 HA PHE 15 46.368 18.381 -5.164
113 HB2 PHE 15 HB2 PHE 15 45.547 16.870 -3.421
114 HB3 PHE 15 HB1 PHE 15 46.272 17.895 -2.161
115 HD1 PHE 15 HD1 PHE 15 43.776 17.897 -4.966
116 HD2 PHE 15 HD2 PHE 15 45.102 19.805 -1.327
117 HE1 PHE 15 HE1 PHE 15 41.731 19.321 -4.967
118 HE2 PHE 15 HE2 PHE 15 43.056 21.228 -1.328
119 HZ PHE 15 HZ PHE 15 41.397 21.023 -3.177
120 H ILE 16 HN ILE 16 47.392 20.261 -5.840
121 HA ILE 16 HA ILE 16 48.361 22.391 -5.606
122 HB ILE 16 HB ILE 16 46.684 23.991 -4.601
123 HG12 ILE 16 HG12 ILE 16 45.040 21.452 -4.141
124 HG13 ILE 16 HG11 ILE 16 45.867 22.327 -2.839
125 HG21 ILE 16 HG21 ILE 16 46.612 23.055 -6.987
126 HG22 ILE 16 HG22 ILE 16 45.067 23.657 -6.354
127 HG23 ILE 16 HG23 ILE 16 45.386 21.907 -6.410
128 HD11 ILE 16 HD1 ILE 16 44.575 24.421 -3.671
129 HD12 ILE 16 HD2 ILE 16 43.648 23.173 -2.807
130 HD13 ILE 16 HD3 ILE 16 43.566 23.270 -4.580
131 H HIS 17 HN HIS 17 49.967 21.156 -4.034
132 HA HIS 17 HA HIS 17 50.476 23.071 -1.887
133 HB2 HIS 17 HB2 HIS 17 48.814 21.611 -0.759
134 HB3 HIS 17 HB1 HIS 17 49.825 20.193 -1.126
135 HD1 HIS 17 HD1 HIS 17 50.357 23.655 0.494
136 HD2 HIS 17 HD2 HIS 17 51.438 19.626 1.029
137 HE1 HIS 17 HE1 HIS 17 51.856 23.535 2.560
138 H GLY 18 HN GLY 18 51.189 20.513 -3.996
139 HA2 GLY 18 HA1 GLY 18 54.101 20.782 -3.399
140 HA3 GLY 18 HA2 GLY 18 53.379 19.156 -3.424
141 H MET 19 HN MET 19 52.846 22.087 -5.354
142 HA MET 19 HA MET 19 54.124 21.204 -7.779
143 HB2 MET 19 HB2 MET 19 52.330 19.588 -7.649
144 HB3 MET 19 HB1 MET 19 51.179 20.910 -7.554
145 HG2 MET 19 HG2 MET 19 51.815 21.681 -9.798
146 HG3 MET 19 HG1 MET 19 53.091 20.445 -9.879
147 HE1 MET 19 HE1 MET 19 49.976 19.675 -12.356
148 HE2 MET 19 HE2 MET 19 51.578 20.443 -12.246
149 HE3 MET 19 HE3 MET 19 50.149 21.265 -11.575
150 H ILE 20 HN ILE 20 51.029 22.734 -6.734
151 HA ILE 20 HA ILE 20 51.552 25.098 -8.408
152 HB ILE 20 HB ILE 20 49.616 24.489 -6.115
153 HG12 ILE 20 HG12 ILE 20 47.926 24.804 -7.841
154 HG13 ILE 20 HG11 ILE 20 49.143 25.406 -8.987
155 HG21 ILE 20 HG21 ILE 20 48.675 26.826 -6.614
156 HG22 ILE 20 HG22 ILE 20 50.209 27.164 -7.448
157 HG23 ILE 20 HG23 ILE 20 50.205 26.788 -5.708
158 HD11 ILE 20 HD1 ILE 20 50.171 23.263 -9.198
159 HD12 ILE 20 HD2 ILE 20 48.421 22.943 -9.262
160 HD13 ILE 20 HD3 ILE 20 49.329 22.627 -7.764
161 H GLN 21 HN GLN 21 52.794 23.524 -5.841
162 HA GLN 21 HA GLN 21 54.252 25.887 -4.760
163 HB2 GLN 21 HB2 GLN 21 52.612 24.755 -3.145
164 HB3 GLN 21 HB1 GLN 21 53.625 23.300 -3.281
165 HG2 GLN 21 HG2 GLN 21 54.405 24.493 -1.342
166 HG3 GLN 21 HG1 GLN 21 55.613 24.764 -2.620
167 HE21 GLN 21 HE21 GLN 21 52.449 26.284 -1.628
168 HE22 GLN 21 HE22 GLN 21 53.061 27.937 -1.746
169 H ASN 22 HN ASN 22 54.217 22.534 -6.216
170 HA ASN 22 HA ASN 22 57.281 22.647 -5.920
171 HB2 ASN 22 HB2 ASN 22 55.949 20.678 -4.847
172 HB3 ASN 22 HB1 ASN 22 55.756 20.102 -6.516
173 HD21 ASN 22 HD21 ASN 22 58.212 20.937 -4.023
174 HD22 ASN 22 HD22 ASN 22 59.502 19.987 -4.766
175 H HIS 23 HN HIS 23 55.428 23.854 -8.008
176 HA HIS 23 HA HIS 23 55.319 23.988 -10.331
177 HB2 HIS 23 HB2 HIS 23 58.197 23.019 -10.150
178 HB3 HIS 23 HB1 HIS 23 57.470 24.004 -11.441
179 HD1 HIS 23 HD1 HIS 23 55.780 25.825 -9.364
180 HD2 HIS 23 HD2 HIS 23 59.932 25.164 -9.375
181 HE1 HIS 23 HE1 HIS 23 56.862 27.759 -8.094
182 H HIS 24 HN HIS 24 56.366 22.700 -12.448
183 HA HIS 24 HA HIS 24 55.965 20.834 -13.768
184 HB2 HIS 24 HB2 HIS 24 57.863 19.971 -12.432
185 HB3 HIS 24 HB1 HIS 24 56.718 19.353 -11.219
186 HD1 HIS 24 HD1 HIS 24 55.197 19.033 -14.495
187 HD2 HIS 24 HD2 HIS 24 57.911 16.764 -12.221
188 HE1 HIS 24 HE1 HIS 24 55.272 16.692 -15.514
Start of MODEL 87
1 H1 PHE 1 HT1 PHE 1 58.684 -2.265 -4.114
2 H2 PHE 1 HT2 PHE 1 59.369 -3.433 -5.140
3 H3 PHE 1 HT3 PHE 1 57.756 -3.587 -4.626
4 HA PHE 1 HA PHE 1 58.926 -1.880 -6.663
5 HB2 PHE 1 HB2 PHE 1 57.620 -3.936 -7.193
6 HB3 PHE 1 HB1 PHE 1 56.214 -3.231 -6.360
7 HD1 PHE 1 HD1 PHE 1 58.520 -2.877 -9.265
8 HD2 PHE 1 HD2 PHE 1 54.912 -1.452 -7.373
9 HE1 PHE 1 HE1 PHE 1 57.927 -1.627 -11.339
10 HE2 PHE 1 HE2 PHE 1 54.318 -0.203 -9.446
11 HZ PHE 1 HZ PHE 1 55.788 -0.353 -11.453
12 H LEU 2 HN LEU 2 58.581 0.234 -6.791
13 HA LEU 2 HA LEU 2 56.799 1.512 -4.789
14 HB2 LEU 2 HB2 LEU 2 57.739 3.636 -5.969
15 HB3 LEU 2 HB1 LEU 2 58.848 2.662 -4.981
16 HG LEU 2 HG LEU 2 58.630 1.908 -7.904
17 HD11 LEU 2 HD11 LEU 2 60.115 4.390 -6.934
18 HD12 LEU 2 HD12 LEU 2 58.725 4.363 -8.047
19 HD13 LEU 2 HD13 LEU 2 60.280 3.653 -8.545
20 HD21 LEU 2 HD21 LEU 2 60.147 0.821 -6.102
21 HD22 LEU 2 HD22 LEU 2 61.110 2.313 -6.175
22 HD23 LEU 2 HD23 LEU 2 60.927 1.300 -7.627
23 H GLY 3 HN GLY 3 55.239 3.144 -5.405
24 HA2 GLY 3 HA1 GLY 3 54.340 3.498 -8.090
25 HA3 GLY 3 HA2 GLY 3 53.386 2.203 -7.338
26 H ALA 4 HN ALA 4 54.246 3.976 -4.776
27 HA ALA 4 HA ALA 4 52.594 6.333 -5.035
28 HB1 ALA 4 HB1 ALA 4 50.817 4.583 -5.074
29 HB2 ALA 4 HB2 ALA 4 50.704 5.660 -3.661
30 HB3 ALA 4 HB3 ALA 4 51.376 4.021 -3.481
31 H LEU 5 HN LEU 5 55.031 4.697 -3.777
32 HA LEU 5 HA LEU 5 54.861 5.173 -0.952
33 HB2 LEU 5 HB2 LEU 5 56.569 3.802 -2.551
34 HB3 LEU 5 HB1 LEU 5 57.542 5.271 -2.337
35 HG LEU 5 HG LEU 5 56.402 3.512 -0.113
36 HD11 LEU 5 HD11 LEU 5 58.340 2.554 -1.346
37 HD12 LEU 5 HD12 LEU 5 58.772 2.989 0.324
38 HD13 LEU 5 HD13 LEU 5 59.266 4.039 -1.025
39 HD21 LEU 5 HD21 LEU 5 57.898 6.165 -0.097
40 HD22 LEU 5 HD22 LEU 5 57.977 5.049 1.289
41 HD23 LEU 5 HD23 LEU 5 56.413 5.718 0.775
42 H ILE 6 HN ILE 6 55.962 7.133 -3.704
43 HA ILE 6 HA ILE 6 56.393 9.470 -1.794
44 HB ILE 6 HB ILE 6 57.426 9.465 -4.672
45 HG12 ILE 6 HG12 ILE 6 58.747 8.040 -2.313
46 HG13 ILE 6 HG11 ILE 6 58.182 7.289 -3.824
47 HG21 ILE 6 HG21 ILE 6 58.791 10.482 -2.148
48 HG22 ILE 6 HG22 ILE 6 57.499 11.423 -2.928
49 HG23 ILE 6 HG23 ILE 6 58.985 11.041 -3.826
50 HD11 ILE 6 HD1 ILE 6 60.482 9.243 -3.451
51 HD12 ILE 6 HD2 ILE 6 59.782 8.889 -5.049
52 HD13 ILE 6 HD3 ILE 6 60.541 7.588 -4.100
53 H LYS 7 HN LYS 7 56.476 11.151 -4.378
54 HA LYS 7 HA LYS 7 54.892 12.701 -5.109
55 HB2 LYS 7 HB2 LYS 7 52.847 10.428 -5.076
56 HB3 LYS 7 HB1 LYS 7 52.815 11.898 -6.080
57 HG2 LYS 7 HG2 LYS 7 54.921 11.107 -7.208
58 HG3 LYS 7 HG1 LYS 7 54.796 9.590 -6.285
59 HD2 LYS 7 HD2 LYS 7 52.458 9.311 -7.252
60 HD3 LYS 7 HD1 LYS 7 52.814 10.687 -8.323
61 HE2 LYS 7 HE2 LYS 7 54.510 8.159 -8.153
62 HE3 LYS 7 HE1 LYS 7 53.266 8.453 -9.390
63 HZ1 LYS 7 HZ1 LYS 7 55.415 10.428 -8.920
64 HZ2 LYS 7 HZ2 LYS 7 54.476 10.175 -10.314
65 HZ3 LYS 7 HZ3 LYS 7 55.698 9.071 -9.897
66 H GLY 8 HN GLY 8 55.591 11.779 -2.662
67 HA2 GLY 8 HA1 GLY 8 55.154 11.541 -0.489
68 HA3 GLY 8 HA2 GLY 8 54.572 13.242 -0.665
69 H ALA 9 HN ALA 9 53.640 9.829 -0.810
70 HA ALA 9 HA ALA 9 51.678 8.745 -0.291
71 HB1 ALA 9 HB1 ALA 9 51.978 10.161 1.825
72 HB2 ALA 9 HB2 ALA 9 50.329 9.590 1.475
73 HB3 ALA 9 HB3 ALA 9 50.781 11.275 1.124
74 H ILE 10 HN ILE 10 51.486 9.124 -2.697
75 HA ILE 10 HA ILE 10 50.100 9.508 -4.495
76 HB ILE 10 HB ILE 10 48.144 9.853 -2.210
77 HG12 ILE 10 HG12 ILE 10 47.673 8.310 -4.782
78 HG13 ILE 10 HG11 ILE 10 48.851 7.688 -3.607
79 HG21 ILE 10 HG21 ILE 10 47.326 11.705 -3.435
80 HG22 ILE 10 HG22 ILE 10 46.323 10.350 -3.996
81 HG23 ILE 10 HG23 ILE 10 47.664 10.933 -5.005
82 HD11 ILE 10 HD1 ILE 10 45.893 8.253 -3.099
83 HD12 ILE 10 HD2 ILE 10 47.058 7.815 -1.828
84 HD13 ILE 10 HD3 ILE 10 46.696 6.669 -3.137
85 H HIS 11 HN HIS 11 49.111 12.138 -2.255
86 HA HIS 11 HA HIS 11 50.619 14.114 -3.840
87 HB2 HIS 11 HB2 HIS 11 48.525 13.886 -5.156
88 HB3 HIS 11 HB1 HIS 11 47.574 14.223 -3.690
89 HD1 HIS 11 HD1 HIS 11 46.768 16.579 -3.727
90 HD2 HIS 11 HD2 HIS 11 50.625 16.217 -5.364
91 HE1 HIS 11 HE1 HIS 11 47.566 18.931 -4.325
92 H GLY 12 HN GLY 12 49.624 12.800 -1.083
93 HA2 GLY 12 HA1 GLY 12 50.372 13.794 1.019
94 HA3 GLY 12 HA2 GLY 12 49.859 15.389 0.438
95 H GLY 13 HN GLY 13 48.042 12.348 0.130
96 HA2 GLY 13 HA1 GLY 13 45.870 11.876 0.806
97 HA3 GLY 13 HA2 GLY 13 46.436 12.431 2.395
98 H ARG 14 HN ARG 14 45.406 13.780 -0.766
99 HA ARG 14 HA ARG 14 43.370 15.418 0.590
100 HB2 ARG 14 HB2 ARG 14 45.335 16.838 0.926
101 HB3 ARG 14 HB1 ARG 14 45.770 16.697 -0.790
102 HG2 ARG 14 HG2 ARG 14 44.628 18.861 -0.249
103 HG3 ARG 14 HG1 ARG 14 43.738 17.906 -1.451
104 HD2 ARG 14 HD2 ARG 14 42.051 17.304 0.099
105 HD3 ARG 14 HD1 ARG 14 43.084 17.656 1.506
106 HE ARG 14 HE ARG 14 41.428 19.573 0.090
107 HH11 ARG 14 HH11 ARG 14 44.170 19.017 2.090
108 HH12 ARG 14 HH12 ARG 14 44.387 20.688 2.490
109 HH21 ARG 14 HH21 ARG 14 41.792 21.784 0.468
110 HH22 ARG 14 HH22 ARG 14 43.040 22.255 1.571
111 H PHE 15 HN PHE 15 44.902 13.979 -2.142
112 HA PHE 15 HA PHE 15 43.671 15.189 -4.341
113 HB2 PHE 15 HB2 PHE 15 45.291 13.284 -4.430
114 HB3 PHE 15 HB1 PHE 15 43.982 12.191 -3.919
115 HD1 PHE 15 HD1 PHE 15 44.678 14.880 -6.476
116 HD2 PHE 15 HD2 PHE 15 42.692 11.145 -5.607
117 HE1 PHE 15 HE1 PHE 15 43.902 14.740 -8.839
118 HE2 PHE 15 HE2 PHE 15 41.919 11.007 -7.970
119 HZ PHE 15 HZ PHE 15 42.574 12.775 -9.600
120 H ILE 16 HN ILE 16 42.191 13.592 -1.693
121 HA ILE 16 HA ILE 16 39.529 13.932 -2.978
122 HB ILE 16 HB ILE 16 40.098 11.319 -1.515
123 HG12 ILE 16 HG12 ILE 16 40.447 11.895 -4.494
124 HG13 ILE 16 HG11 ILE 16 41.722 11.397 -3.358
125 HG21 ILE 16 HG21 ILE 16 38.111 12.003 -3.724
126 HG22 ILE 16 HG22 ILE 16 37.744 12.202 -1.994
127 HG23 ILE 16 HG23 ILE 16 38.097 10.586 -2.649
128 HD11 ILE 16 HD1 ILE 16 39.398 9.771 -4.435
129 HD12 ILE 16 HD2 ILE 16 40.194 9.314 -2.908
130 HD13 ILE 16 HD3 ILE 16 41.130 9.370 -4.421
131 H HIS 17 HN HIS 17 40.681 12.212 -0.013
132 HA HIS 17 HA HIS 17 40.143 14.438 1.735
133 HB2 HIS 17 HB2 HIS 17 37.780 13.930 1.085
134 HB3 HIS 17 HB1 HIS 17 37.997 12.273 1.695
135 HD1 HIS 17 HD1 HIS 17 40.014 14.009 3.950
136 HD2 HIS 17 HD2 HIS 17 35.842 13.893 3.417
137 HE1 HIS 17 HE1 HIS 17 38.945 14.760 6.146
138 H GLY 18 HN GLY 18 42.341 13.292 1.902
139 HA2 GLY 18 HA1 GLY 18 43.747 12.000 3.226
140 HA3 GLY 18 HA2 GLY 18 42.405 11.830 4.357
141 H MET 19 HN MET 19 43.051 10.836 1.029
142 HA MET 19 HA MET 19 42.544 8.807 0.123
143 HB2 MET 19 HB2 MET 19 44.017 7.885 2.520
144 HB3 MET 19 HB1 MET 19 43.752 6.897 1.062
145 HG2 MET 19 HG2 MET 19 44.891 8.741 -0.272
146 HG3 MET 19 HG1 MET 19 45.332 9.493 1.279
147 HE1 MET 19 HE1 MET 19 47.486 9.452 0.052
148 HE2 MET 19 HE2 MET 19 48.723 8.215 0.380
149 HE3 MET 19 HE3 MET 19 48.008 9.136 1.724
150 H ILE 20 HN ILE 20 40.600 9.782 2.224
151 HA ILE 20 HA ILE 20 38.687 8.899 3.207
152 HB ILE 20 HB ILE 20 39.096 6.892 0.938
153 HG12 ILE 20 HG12 ILE 20 36.977 7.855 0.148
154 HG13 ILE 20 HG11 ILE 20 36.837 8.819 1.637
155 HG21 ILE 20 HG21 ILE 20 37.067 6.750 3.206
156 HG22 ILE 20 HG22 ILE 20 38.177 5.473 2.650
157 HG23 ILE 20 HG23 ILE 20 36.803 5.962 1.632
158 HD11 ILE 20 HD1 ILE 20 39.204 9.035 -0.265
159 HD12 ILE 20 HD2 ILE 20 38.776 10.129 1.072
160 HD13 ILE 20 HD3 ILE 20 37.760 10.066 -0.383
161 H GLN 21 HN GLN 21 41.751 7.571 3.100
162 HA GLN 21 HA GLN 21 41.141 5.543 5.287
163 HB2 GLN 21 HB2 GLN 21 42.350 4.801 3.158
164 HB3 GLN 21 HB1 GLN 21 43.703 5.836 3.671
165 HG2 GLN 21 HG2 GLN 21 44.196 3.633 4.497
166 HG3 GLN 21 HG1 GLN 21 43.655 4.581 5.903
167 HE21 GLN 21 HE21 GLN 21 42.161 3.507 7.186
168 HE22 GLN 21 HE22 GLN 21 41.016 2.301 6.589
169 H ASN 22 HN ASN 22 43.198 8.325 4.306
170 HA ASN 22 HA ASN 22 44.419 8.438 6.997
171 HB2 ASN 22 HB2 ASN 22 45.840 9.052 5.138
172 HB3 ASN 22 HB1 ASN 22 44.608 10.150 4.475
173 HD21 ASN 22 HD21 ASN 22 46.259 11.917 4.626
174 HD22 ASN 22 HD22 ASN 22 46.574 12.662 6.196
175 H HIS 23 HN HIS 23 41.862 9.806 4.989
176 HA HIS 23 HA HIS 23 40.242 11.423 5.491
177 HB2 HIS 23 HB2 HIS 23 39.549 9.541 6.965
178 HB3 HIS 23 HB1 HIS 23 40.511 10.249 8.285
179 HD1 HIS 23 HD1 HIS 23 37.575 11.116 5.975
180 HD2 HIS 23 HD2 HIS 23 39.161 12.211 9.713
181 HE1 HIS 23 HE1 HIS 23 35.938 12.759 7.045
182 H HIS 24 HN HIS 24 41.272 13.375 5.173
183 HA HIS 24 HA HIS 24 43.132 14.568 6.959
184 HB2 HIS 24 HB2 HIS 24 42.672 15.342 4.634
185 HB3 HIS 24 HB1 HIS 24 41.103 15.979 5.181
186 HD1 HIS 24 HD1 HIS 24 41.259 17.793 7.236
187 HD2 HIS 24 HD2 HIS 24 44.731 17.160 4.950
188 HE1 HIS 24 HE1 HIS 24 42.840 19.748 7.694
Start of MODEL 88
1 H1 PHE 1 HT1 PHE 1 49.230 3.688 -10.453
2 H2 PHE 1 HT2 PHE 1 48.816 2.375 -11.448
3 H3 PHE 1 HT3 PHE 1 50.110 3.392 -11.871
4 HA PHE 1 HA PHE 1 50.029 1.771 -9.413
5 HB2 PHE 1 HB2 PHE 1 49.951 0.315 -11.412
6 HB3 PHE 1 HB1 PHE 1 51.370 1.159 -12.079
7 HD1 PHE 1 HD1 PHE 1 53.581 0.566 -11.384
8 HD2 PHE 1 HD2 PHE 1 50.173 -0.866 -9.155
9 HE1 PHE 1 HE1 PHE 1 55.074 -0.923 -10.057
10 HE2 PHE 1 HE2 PHE 1 51.667 -2.355 -7.829
11 HZ PHE 1 HZ PHE 1 54.126 -2.327 -8.230
12 H LEU 2 HN LEU 2 50.859 3.695 -8.385
13 HA LEU 2 HA LEU 2 53.178 5.087 -9.269
14 HB2 LEU 2 HB2 LEU 2 51.585 5.758 -7.409
15 HB3 LEU 2 HB1 LEU 2 52.376 4.538 -6.388
16 HG LEU 2 HG LEU 2 54.614 5.782 -7.053
17 HD11 LEU 2 HD11 LEU 2 52.498 7.895 -7.666
18 HD12 LEU 2 HD12 LEU 2 53.754 7.279 -8.767
19 HD13 LEU 2 HD13 LEU 2 54.210 8.260 -7.358
20 HD21 LEU 2 HD21 LEU 2 52.563 7.084 -5.208
21 HD22 LEU 2 HD22 LEU 2 54.323 7.338 -5.150
22 HD23 LEU 2 HD23 LEU 2 53.642 5.738 -4.774
23 H GLY 3 HN GLY 3 52.794 2.172 -7.247
24 HA2 GLY 3 HA1 GLY 3 54.331 0.430 -6.975
25 HA3 GLY 3 HA2 GLY 3 55.513 1.318 -7.957
26 H ALA 4 HN ALA 4 56.055 3.581 -6.747
27 HA ALA 4 HA ALA 4 57.453 2.712 -4.326
28 HB1 ALA 4 HB1 ALA 4 58.486 4.264 -5.927
29 HB2 ALA 4 HB2 ALA 4 58.330 5.016 -4.321
30 HB3 ALA 4 HB3 ALA 4 57.194 5.449 -5.623
31 H LEU 5 HN LEU 5 57.411 4.982 -2.739
32 HA LEU 5 HA LEU 5 54.534 5.279 -1.912
33 HB2 LEU 5 HB2 LEU 5 56.863 4.610 -0.055
34 HB3 LEU 5 HB1 LEU 5 55.202 4.994 0.445
35 HG LEU 5 HG LEU 5 54.634 2.974 -1.301
36 HD11 LEU 5 HD11 LEU 5 57.126 2.683 -1.785
37 HD12 LEU 5 HD12 LEU 5 56.286 1.214 -1.238
38 HD13 LEU 5 HD13 LEU 5 57.309 2.129 -0.106
39 HD21 LEU 5 HD21 LEU 5 55.555 2.688 1.593
40 HD22 LEU 5 HD22 LEU 5 54.701 1.414 0.689
41 HD23 LEU 5 HD23 LEU 5 53.896 2.967 1.014
42 H ILE 6 HN ILE 6 55.558 7.222 -3.356
43 HA ILE 6 HA ILE 6 56.110 9.377 -1.301
44 HB ILE 6 HB ILE 6 57.548 9.498 -3.997
45 HG12 ILE 6 HG12 ILE 6 58.515 7.949 -1.548
46 HG13 ILE 6 HG11 ILE 6 58.162 7.276 -3.157
47 HG21 ILE 6 HG21 ILE 6 58.982 11.007 -2.857
48 HG22 ILE 6 HG22 ILE 6 58.533 10.377 -1.254
49 HG23 ILE 6 HG23 ILE 6 57.381 11.371 -2.175
50 HD11 ILE 6 HD1 ILE 6 60.402 9.175 -2.370
51 HD12 ILE 6 HD2 ILE 6 59.927 8.920 -4.066
52 HD13 ILE 6 HD3 ILE 6 60.535 7.558 -3.097
53 H LYS 7 HN LYS 7 56.573 11.174 -3.769
54 HA LYS 7 HA LYS 7 55.123 12.772 -4.650
55 HB2 LYS 7 HB2 LYS 7 54.425 10.671 -6.087
56 HB3 LYS 7 HB1 LYS 7 53.008 10.600 -5.012
57 HG2 LYS 7 HG2 LYS 7 52.479 12.971 -5.593
58 HG3 LYS 7 HG1 LYS 7 53.852 12.989 -6.718
59 HD2 LYS 7 HD2 LYS 7 51.642 10.903 -6.935
60 HD3 LYS 7 HD1 LYS 7 51.488 12.500 -7.699
61 HE2 LYS 7 HE2 LYS 7 53.740 12.042 -8.837
62 HE3 LYS 7 HE1 LYS 7 53.592 10.368 -8.256
63 HZ1 LYS 7 HZ1 LYS 7 51.404 11.674 -9.760
64 HZ2 LYS 7 HZ2 LYS 7 51.699 10.015 -9.529
65 HZ3 LYS 7 HZ3 LYS 7 52.696 10.922 -10.564
66 H GLY 8 HN GLY 8 55.459 11.736 -2.173
67 HA2 GLY 8 HA1 GLY 8 54.745 11.428 -0.095
68 HA3 GLY 8 HA2 GLY 8 54.199 13.141 -0.281
69 H ALA 9 HN ALA 9 53.314 9.757 -0.320
70 HA ALA 9 HA ALA 9 51.293 8.666 -0.159
71 HB1 ALA 9 HB1 ALA 9 50.419 11.201 1.267
72 HB2 ALA 9 HB2 ALA 9 51.366 9.896 2.021
73 HB3 ALA 9 HB3 ALA 9 49.715 9.576 1.437
74 H ILE 10 HN ILE 10 51.281 9.096 -2.568
75 HA ILE 10 HA ILE 10 50.025 9.517 -4.454
76 HB ILE 10 HB ILE 10 47.922 9.772 -2.295
77 HG12 ILE 10 HG12 ILE 10 46.792 8.089 -3.711
78 HG13 ILE 10 HG11 ILE 10 48.059 8.278 -4.946
79 HG21 ILE 10 HG21 ILE 10 47.583 10.947 -5.070
80 HG22 ILE 10 HG22 ILE 10 47.187 11.678 -3.492
81 HG23 ILE 10 HG23 ILE 10 46.202 10.339 -4.125
82 HD11 ILE 10 HD1 ILE 10 48.701 7.519 -2.070
83 HD12 ILE 10 HD2 ILE 10 49.740 7.368 -3.507
84 HD13 ILE 10 HD3 ILE 10 48.329 6.302 -3.314
85 H HIS 11 HN HIS 11 48.899 12.088 -2.213
86 HA HIS 11 HA HIS 11 50.424 14.117 -3.735
87 HB2 HIS 11 HB2 HIS 11 48.266 13.824 -5.004
88 HB3 HIS 11 HB1 HIS 11 47.387 14.249 -3.514
89 HD1 HIS 11 HD1 HIS 11 47.320 16.704 -2.796
90 HD2 HIS 11 HD2 HIS 11 49.741 16.009 -6.165
91 HE1 HIS 11 HE1 HIS 11 47.976 18.984 -3.748
92 H GLY 12 HN GLY 12 49.347 12.728 -1.001
93 HA2 GLY 12 HA1 GLY 12 49.307 13.412 1.215
94 HA3 GLY 12 HA2 GLY 12 50.226 14.843 0.708
95 H GLY 13 HN GLY 13 47.223 14.271 -0.893
96 HA2 GLY 13 HA1 GLY 13 45.599 15.813 1.002
97 HA3 GLY 13 HA2 GLY 13 46.061 16.714 -0.456
98 H ARG 14 HN ARG 14 46.038 14.405 -2.239
99 HA ARG 14 HA ARG 14 43.123 14.356 -2.709
100 HB2 ARG 14 HB2 ARG 14 44.661 14.641 -4.609
101 HB3 ARG 14 HB1 ARG 14 45.452 13.100 -4.223
102 HG2 ARG 14 HG2 ARG 14 43.821 12.859 -6.082
103 HG3 ARG 14 HG1 ARG 14 43.358 11.875 -4.680
104 HD2 ARG 14 HD2 ARG 14 41.562 13.297 -4.117
105 HD3 ARG 14 HD1 ARG 14 42.258 14.688 -4.985
106 HE ARG 14 HE ARG 14 41.769 12.798 -6.975
107 HH11 ARG 14 HH11 ARG 14 39.589 12.405 -4.676
108 HH12 ARG 14 HH12 ARG 14 38.258 13.207 -5.442
109 HH21 ARG 14 HH21 ARG 14 40.215 14.680 -7.897
110 HH22 ARG 14 HH22 ARG 14 38.613 14.496 -7.265
111 H PHE 15 HN PHE 15 45.628 12.368 -1.342
112 HA PHE 15 HA PHE 15 44.677 9.768 -1.611
113 HB2 PHE 15 HB2 PHE 15 46.716 10.395 -0.355
114 HB3 PHE 15 HB1 PHE 15 45.701 11.044 0.956
115 HD1 PHE 15 HD1 PHE 15 44.550 9.577 2.504
116 HD2 PHE 15 HD2 PHE 15 46.701 7.952 -0.867
117 HE1 PHE 15 HE1 PHE 15 44.352 7.292 3.478
118 HE2 PHE 15 HE2 PHE 15 46.502 5.667 0.108
119 HZ PHE 15 HZ PHE 15 45.388 5.348 2.314
120 H ILE 16 HN ILE 16 43.709 12.056 1.003
121 HA ILE 16 HA ILE 16 41.659 10.298 1.999
122 HB ILE 16 HB ILE 16 41.730 13.331 2.317
123 HG12 ILE 16 HG12 ILE 16 43.144 11.175 3.956
124 HG13 ILE 16 HG11 ILE 16 43.951 12.292 2.834
125 HG21 ILE 16 HG21 ILE 16 39.696 11.932 3.068
126 HG22 ILE 16 HG22 ILE 16 40.472 12.919 4.321
127 HG23 ILE 16 HG23 ILE 16 40.785 11.170 4.247
128 HD11 ILE 16 HD1 ILE 16 44.215 13.301 4.969
129 HD12 ILE 16 HD2 ILE 16 42.541 12.936 5.446
130 HD13 ILE 16 HD3 ILE 16 42.868 14.191 4.226
131 H HIS 17 HN HIS 17 40.824 13.598 0.823
132 HA HIS 17 HA HIS 17 39.198 12.496 -1.368
133 HB2 HIS 17 HB2 HIS 17 37.817 11.894 0.622
134 HB3 HIS 17 HB1 HIS 17 37.725 13.618 1.043
135 HD1 HIS 17 HD1 HIS 17 35.415 14.365 0.428
136 HD2 HIS 17 HD2 HIS 17 37.104 11.869 -2.502
137 HE1 HIS 17 HE1 HIS 17 33.798 14.310 -1.550
138 H GLY 18 HN GLY 18 41.226 14.587 -0.706
139 HA2 GLY 18 HA1 GLY 18 41.037 16.516 -2.472
140 HA3 GLY 18 HA2 GLY 18 39.747 17.094 -1.386
141 H MET 19 HN MET 19 40.542 16.567 1.002
142 HA MET 19 HA MET 19 43.078 16.839 1.871
143 HB2 MET 19 HB2 MET 19 42.395 19.352 0.592
144 HB3 MET 19 HB1 MET 19 42.587 19.637 2.332
145 HG2 MET 19 HG2 MET 19 44.813 18.460 2.213
146 HG3 MET 19 HG1 MET 19 44.616 18.362 0.448
147 HE1 MET 19 HE1 MET 19 46.565 20.029 -0.537
148 HE2 MET 19 HE2 MET 19 46.981 19.290 1.027
149 HE3 MET 19 HE3 MET 19 47.317 21.014 0.740
150 H ILE 20 HN ILE 20 42.018 15.481 3.261
151 HA ILE 20 HA ILE 20 40.918 15.033 5.269
152 HB ILE 20 HB ILE 20 40.811 18.021 5.886
153 HG12 ILE 20 HG12 ILE 20 43.194 16.130 6.191
154 HG13 ILE 20 HG11 ILE 20 43.124 17.578 5.165
155 HG21 ILE 20 HG21 ILE 20 40.787 17.319 8.164
156 HG22 ILE 20 HG22 ILE 20 41.370 15.686 7.761
157 HG23 ILE 20 HG23 ILE 20 39.713 16.167 7.345
158 HD11 ILE 20 HD1 ILE 20 43.151 17.419 8.195
159 HD12 ILE 20 HD2 ILE 20 42.596 18.881 7.344
160 HD13 ILE 20 HD3 ILE 20 44.262 18.298 7.122
161 H GLN 21 HN GLN 21 39.960 16.053 2.642
162 HA GLN 21 HA GLN 21 37.762 15.861 1.727
163 HB2 GLN 21 HB2 GLN 21 36.859 15.327 4.151
164 HB3 GLN 21 HB1 GLN 21 36.519 17.073 4.231
165 HG2 GLN 21 HG2 GLN 21 35.225 16.868 2.083
166 HG3 GLN 21 HG1 GLN 21 35.468 15.105 2.151
167 HE21 GLN 21 HE21 GLN 21 34.236 17.831 4.224
168 HE22 GLN 21 HE22 GLN 21 32.971 16.856 4.980
169 H ASN 22 HN ASN 22 39.879 17.738 1.921
170 HA ASN 22 HA ASN 22 40.394 19.946 1.528
171 HB2 ASN 22 HB2 ASN 22 39.528 19.334 -0.619
172 HB3 ASN 22 HB1 ASN 22 37.850 19.646 -0.090
173 HD21 ASN 22 HD21 ASN 22 41.020 21.252 -0.727
174 HD22 ASN 22 HD22 ASN 22 40.325 22.858 -0.975
175 H HIS 23 HN HIS 23 39.495 19.645 3.951
176 HA HIS 23 HA HIS 23 37.190 21.129 4.722
177 HB2 HIS 23 HB2 HIS 23 38.508 19.701 6.255
178 HB3 HIS 23 HB1 HIS 23 39.843 20.876 6.196
179 HD1 HIS 23 HD1 HIS 23 36.044 21.042 6.851
180 HD2 HIS 23 HD2 HIS 23 39.648 22.688 8.259
181 HE1 HIS 23 HE1 HIS 23 35.467 22.571 8.815
182 H HIS 24 HN HIS 24 40.475 22.380 5.371
183 HA HIS 24 HA HIS 24 39.607 25.104 5.408
184 HB2 HIS 24 HB2 HIS 24 41.685 24.279 6.487
185 HB3 HIS 24 HB1 HIS 24 42.395 24.002 4.879
186 HD1 HIS 24 HD1 HIS 24 42.377 26.261 3.260
187 HD2 HIS 24 HD2 HIS 24 42.065 26.861 7.411
188 HE1 HIS 24 HE1 HIS 24 43.028 28.688 3.729
Start of MODEL 89
1 H1 PHE 1 HT1 PHE 1 58.279 2.401 -12.241
2 H2 PHE 1 HT2 PHE 1 57.560 2.691 -10.729
3 H3 PHE 1 HT3 PHE 1 59.252 2.612 -10.870
4 HA PHE 1 HA PHE 1 59.267 4.565 -12.242
5 HB2 PHE 1 HB2 PHE 1 56.274 4.533 -11.677
6 HB3 PHE 1 HB1 PHE 1 57.161 5.874 -12.441
7 HD1 PHE 1 HD1 PHE 1 58.538 5.346 -14.573
8 HD2 PHE 1 HD2 PHE 1 55.494 2.717 -13.005
9 HE1 PHE 1 HE1 PHE 1 58.367 4.221 -16.789
10 HE2 PHE 1 HE2 PHE 1 55.323 1.594 -15.223
11 HZ PHE 1 HZ PHE 1 56.777 2.330 -17.107
12 H LEU 2 HN LEU 2 56.656 4.698 -9.788
13 HA LEU 2 HA LEU 2 57.894 6.892 -8.391
14 HB2 LEU 2 HB2 LEU 2 55.895 4.941 -7.197
15 HB3 LEU 2 HB1 LEU 2 56.126 6.663 -6.809
16 HG LEU 2 HG LEU 2 55.070 5.512 -9.431
17 HD11 LEU 2 HD11 LEU 2 52.976 6.552 -8.788
18 HD12 LEU 2 HD12 LEU 2 53.736 7.326 -7.376
19 HD13 LEU 2 HD13 LEU 2 53.527 5.558 -7.419
20 HD21 LEU 2 HD21 LEU 2 56.323 7.452 -10.047
21 HD22 LEU 2 HD22 LEU 2 55.833 8.337 -8.581
22 HD23 LEU 2 HD23 LEU 2 54.652 8.038 -9.878
23 H GLY 3 HN GLY 3 58.285 3.430 -8.259
24 HA2 GLY 3 HA1 GLY 3 59.918 2.213 -7.133
25 HA3 GLY 3 HA2 GLY 3 60.539 3.721 -6.433
26 H ALA 4 HN ALA 4 58.127 4.624 -5.219
27 HA ALA 4 HA ALA 4 57.089 2.528 -3.483
28 HB1 ALA 4 HB1 ALA 4 58.060 3.448 -1.381
29 HB2 ALA 4 HB2 ALA 4 59.123 4.486 -2.362
30 HB3 ALA 4 HB3 ALA 4 59.279 2.715 -2.449
31 H LEU 5 HN LEU 5 56.096 3.792 -1.401
32 HA LEU 5 HA LEU 5 54.155 5.608 -2.606
33 HB2 LEU 5 HB2 LEU 5 54.525 5.115 0.366
34 HB3 LEU 5 HB1 LEU 5 53.033 5.512 -0.519
35 HG LEU 5 HG LEU 5 54.620 2.914 -0.704
36 HD11 LEU 5 HD11 LEU 5 53.245 3.177 1.344
37 HD12 LEU 5 HD12 LEU 5 52.566 1.932 0.268
38 HD13 LEU 5 HD13 LEU 5 51.824 3.548 0.342
39 HD21 LEU 5 HD21 LEU 5 52.220 3.975 -2.254
40 HD22 LEU 5 HD22 LEU 5 52.560 2.234 -2.114
41 HD23 LEU 5 HD23 LEU 5 53.741 3.308 -2.896
42 H ILE 6 HN ILE 6 54.876 7.561 -3.213
43 HA ILE 6 HA ILE 6 55.795 9.397 -1.032
44 HB ILE 6 HB ILE 6 57.715 10.232 -2.373
45 HG12 ILE 6 HG12 ILE 6 56.998 7.938 -4.262
46 HG13 ILE 6 HG11 ILE 6 56.906 9.675 -4.632
47 HG21 ILE 6 HG21 ILE 6 57.933 8.286 -0.714
48 HG22 ILE 6 HG22 ILE 6 59.245 8.450 -1.904
49 HG23 ILE 6 HG23 ILE 6 57.986 7.211 -2.132
50 HD11 ILE 6 HD1 ILE 6 59.373 7.957 -4.211
51 HD12 ILE 6 HD2 ILE 6 59.447 9.729 -4.040
52 HD13 ILE 6 HD3 ILE 6 58.967 9.001 -5.591
53 H LYS 7 HN LYS 7 56.640 11.379 -3.157
54 HA LYS 7 HA LYS 7 55.459 13.225 -3.958
55 HB2 LYS 7 HB2 LYS 7 53.603 11.005 -4.960
56 HB3 LYS 7 HB1 LYS 7 53.301 12.728 -5.284
57 HG2 LYS 7 HG2 LYS 7 55.280 12.953 -6.588
58 HG3 LYS 7 HG1 LYS 7 55.966 11.431 -5.972
59 HD2 LYS 7 HD2 LYS 7 55.090 11.201 -8.300
60 HD3 LYS 7 HD1 LYS 7 54.241 10.139 -7.151
61 HE2 LYS 7 HE2 LYS 7 52.322 11.561 -7.091
62 HE3 LYS 7 HE1 LYS 7 53.194 12.905 -7.869
63 HZ1 LYS 7 HZ1 LYS 7 51.680 11.618 -9.360
64 HZ2 LYS 7 HZ2 LYS 7 52.710 10.279 -9.181
65 HZ3 LYS 7 HZ3 LYS 7 53.286 11.707 -9.899
66 H GLY 8 HN GLY 8 55.407 11.851 -1.628
67 HA2 GLY 8 HA1 GLY 8 54.433 11.368 0.303
68 HA3 GLY 8 HA2 GLY 8 54.040 13.131 0.289
69 H ALA 9 HN ALA 9 52.925 9.884 -0.504
70 HA ALA 9 HA ALA 9 50.824 8.970 -0.699
71 HB1 ALA 9 HB1 ALA 9 50.656 9.802 1.636
72 HB2 ALA 9 HB2 ALA 9 49.088 9.826 0.793
73 HB3 ALA 9 HB3 ALA 9 49.999 11.337 1.021
74 H ILE 10 HN ILE 10 51.221 9.803 -2.985
75 HA ILE 10 HA ILE 10 50.305 10.627 -4.923
76 HB ILE 10 HB ILE 10 47.911 10.603 -3.092
77 HG12 ILE 10 HG12 ILE 10 48.241 9.734 -5.996
78 HG13 ILE 10 HG11 ILE 10 48.713 8.723 -4.614
79 HG21 ILE 10 HG21 ILE 10 47.437 12.765 -3.971
80 HG22 ILE 10 HG22 ILE 10 46.496 11.645 -4.975
81 HG23 ILE 10 HG23 ILE 10 48.018 12.324 -5.595
82 HD11 ILE 10 HD1 ILE 10 46.545 7.925 -4.931
83 HD12 ILE 10 HD2 ILE 10 45.953 9.465 -5.588
84 HD13 ILE 10 HD3 ILE 10 46.171 9.271 -3.833
85 H HIS 11 HN HIS 11 48.965 12.868 -2.439
86 HA HIS 11 HA HIS 11 50.787 15.002 -3.402
87 HB2 HIS 11 HB2 HIS 11 47.749 15.137 -3.610
88 HB3 HIS 11 HB1 HIS 11 48.806 16.569 -3.657
89 HD1 HIS 11 HD1 HIS 11 51.099 15.752 -5.411
90 HD2 HIS 11 HD2 HIS 11 47.124 14.674 -6.266
91 HE1 HIS 11 HE1 HIS 11 50.978 15.206 -7.904
92 H GLY 12 HN GLY 12 49.278 13.259 -1.081
93 HA2 GLY 12 HA1 GLY 12 50.118 14.011 1.229
94 HA3 GLY 12 HA2 GLY 12 49.236 15.521 0.913
95 H GLY 13 HN GLY 13 47.915 12.562 -0.337
96 HA2 GLY 13 HA1 GLY 13 45.901 11.524 0.149
97 HA3 GLY 13 HA2 GLY 13 46.458 11.572 1.835
98 H ARG 14 HN ARG 14 45.182 13.854 -0.630
99 HA ARG 14 HA ARG 14 42.926 14.535 1.119
100 HB2 ARG 14 HB2 ARG 14 45.167 15.885 1.775
101 HB3 ARG 14 HB1 ARG 14 44.658 16.913 0.421
102 HG2 ARG 14 HG2 ARG 14 43.013 16.204 2.896
103 HG3 ARG 14 HG1 ARG 14 43.724 17.787 2.509
104 HD2 ARG 14 HD2 ARG 14 42.304 17.613 0.299
105 HD3 ARG 14 HD1 ARG 14 41.380 16.383 1.200
106 HE ARG 14 HE ARG 14 41.765 18.886 2.681
107 HH11 ARG 14 HH11 ARG 14 40.012 17.479 0.085
108 HH12 ARG 14 HH12 ARG 14 38.506 18.219 0.519
109 HH21 ARG 14 HH21 ARG 14 39.758 19.700 3.393
110 HH22 ARG 14 HH22 ARG 14 38.362 19.476 2.391
111 H PHE 15 HN PHE 15 44.913 15.214 -1.754
112 HA PHE 15 HA PHE 15 43.105 16.799 -3.211
113 HB2 PHE 15 HB2 PHE 15 45.483 16.076 -3.842
114 HB3 PHE 15 HB1 PHE 15 44.763 14.564 -4.441
115 HD1 PHE 15 HD1 PHE 15 44.276 18.301 -4.668
116 HD2 PHE 15 HD2 PHE 15 44.035 14.495 -6.695
117 HE1 PHE 15 HE1 PHE 15 43.653 19.464 -6.781
118 HE2 PHE 15 HE2 PHE 15 43.411 15.661 -8.806
119 HZ PHE 15 HZ PHE 15 43.234 18.146 -8.852
120 H ILE 16 HN ILE 16 43.094 13.297 -2.621
121 HA ILE 16 HA ILE 16 40.934 12.821 -4.552
122 HB ILE 16 HB ILE 16 41.819 10.981 -2.293
123 HG12 ILE 16 HG12 ILE 16 43.864 11.411 -3.416
124 HG13 ILE 16 HG11 ILE 16 43.264 9.926 -4.177
125 HG21 ILE 16 HG21 ILE 16 39.755 10.295 -3.332
126 HG22 ILE 16 HG22 ILE 16 41.039 9.234 -3.954
127 HG23 ILE 16 HG23 ILE 16 40.407 10.557 -4.961
128 HD11 ILE 16 HD1 ILE 16 43.187 12.761 -5.291
129 HD12 ILE 16 HD2 ILE 16 42.258 11.426 -6.006
130 HD13 ILE 16 HD3 ILE 16 44.031 11.347 -5.955
131 H HIS 17 HN HIS 17 40.854 11.824 -1.087
132 HA HIS 17 HA HIS 17 38.601 13.602 -0.514
133 HB2 HIS 17 HB2 HIS 17 37.504 11.811 -1.891
134 HB3 HIS 17 HB1 HIS 17 38.059 10.610 -0.701
135 HD1 HIS 17 HD1 HIS 17 36.489 10.152 1.182
136 HD2 HIS 17 HD2 HIS 17 35.927 13.993 -0.433
137 HE1 HIS 17 HE1 HIS 17 34.477 11.190 2.366
138 H GLY 18 HN GLY 18 41.102 13.306 0.623
139 HA2 GLY 18 HA1 GLY 18 41.914 13.234 2.811
140 HA3 GLY 18 HA2 GLY 18 40.366 12.608 3.354
141 H MET 19 HN MET 19 43.149 11.730 1.411
142 HA MET 19 HA MET 19 43.997 9.638 1.090
143 HB2 MET 19 HB2 MET 19 44.829 10.614 3.360
144 HB3 MET 19 HB1 MET 19 43.952 9.217 4.016
145 HG2 MET 19 HG2 MET 19 45.311 7.759 2.406
146 HG3 MET 19 HG1 MET 19 46.293 9.201 2.061
147 HE1 MET 19 HE1 MET 19 47.327 6.517 3.001
148 HE2 MET 19 HE2 MET 19 48.422 6.811 4.373
149 HE3 MET 19 HE3 MET 19 48.512 7.842 2.924
150 H ILE 20 HN ILE 20 40.972 9.680 1.424
151 HA ILE 20 HA ILE 20 39.333 8.036 1.563
152 HB ILE 20 HB ILE 20 41.540 5.967 1.131
153 HG12 ILE 20 HG12 ILE 20 41.900 7.479 -0.668
154 HG13 ILE 20 HG11 ILE 20 40.855 6.227 -1.361
155 HG21 ILE 20 HG21 ILE 20 39.576 4.803 -0.069
156 HG22 ILE 20 HG22 ILE 20 38.529 6.012 0.706
157 HG23 ILE 20 HG23 ILE 20 39.495 4.905 1.701
158 HD11 ILE 20 HD1 ILE 20 40.094 9.036 -0.471
159 HD12 ILE 20 HD2 ILE 20 38.872 7.775 -0.753
160 HD13 ILE 20 HD3 ILE 20 39.923 8.303 -2.082
161 H GLN 21 HN GLN 21 42.011 8.467 3.477
162 HA GLN 21 HA GLN 21 40.807 6.814 5.725
163 HB2 GLN 21 HB2 GLN 21 42.845 5.713 4.735
164 HB3 GLN 21 HB1 GLN 21 43.779 7.158 5.189
165 HG2 GLN 21 HG2 GLN 21 43.189 6.840 7.550
166 HG3 GLN 21 HG1 GLN 21 42.165 5.447 7.129
167 HE21 GLN 21 HE21 GLN 21 45.230 6.253 8.277
168 HE22 GLN 21 HE22 GLN 21 46.088 4.793 7.775
169 H ASN 22 HN ASN 22 42.314 9.832 4.580
170 HA ASN 22 HA ASN 22 42.641 10.790 7.379
171 HB2 ASN 22 HB2 ASN 22 44.221 11.467 5.513
172 HB3 ASN 22 HB1 ASN 22 42.862 12.327 4.757
173 HD21 ASN 22 HD21 ASN 22 44.517 14.216 5.199
174 HD22 ASN 22 HD22 ASN 22 44.341 15.019 6.762
175 H HIS 23 HN HIS 23 40.590 10.860 4.560
176 HA HIS 23 HA HIS 23 38.407 11.650 4.275
177 HB2 HIS 23 HB2 HIS 23 37.982 10.173 6.233
178 HB3 HIS 23 HB1 HIS 23 38.274 11.555 7.316
179 HD1 HIS 23 HD1 HIS 23 36.466 13.376 7.498
180 HD2 HIS 23 HD2 HIS 23 35.585 10.432 4.628
181 HE1 HIS 23 HE1 HIS 23 34.025 13.688 6.810
182 H HIS 24 HN HIS 24 38.948 13.239 7.433
183 HA HIS 24 HA HIS 24 39.601 15.810 6.293
184 HB2 HIS 24 HB2 HIS 24 37.185 15.603 5.588
185 HB3 HIS 24 HB1 HIS 24 36.747 15.539 7.312
186 HD1 HIS 24 HD1 HIS 24 39.541 17.730 5.948
187 HD2 HIS 24 HD2 HIS 24 35.586 18.134 7.319
188 HE1 HIS 24 HE1 HIS 24 39.094 20.226 6.261
Start of MODEL 90
1 H1 PHE 1 HT1 PHE 1 54.400 -0.172 -10.487
2 H2 PHE 1 HT2 PHE 1 55.903 0.607 -10.627
3 H3 PHE 1 HT3 PHE 1 54.943 0.351 -12.005
4 HA PHE 1 HA PHE 1 54.887 2.639 -11.235
5 HB2 PHE 1 HB2 PHE 1 52.283 1.079 -10.985
6 HB3 PHE 1 HB1 PHE 1 52.422 2.830 -11.268
7 HD1 PHE 1 HD1 PHE 1 52.986 -0.543 -12.721
8 HD2 PHE 1 HD2 PHE 1 53.123 3.713 -13.428
9 HE1 PHE 1 HE1 PHE 1 53.221 -0.957 -15.168
10 HE2 PHE 1 HE2 PHE 1 53.357 3.299 -15.875
11 HZ PHE 1 HZ PHE 1 53.442 0.964 -16.740
12 H LEU 2 HN LEU 2 55.623 3.540 -9.409
13 HA LEU 2 HA LEU 2 55.024 2.536 -6.776
14 HB2 LEU 2 HB2 LEU 2 56.170 5.134 -7.851
15 HB3 LEU 2 HB1 LEU 2 55.875 4.911 -6.111
16 HG LEU 2 HG LEU 2 57.346 2.965 -6.055
17 HD11 LEU 2 HD11 LEU 2 57.414 3.366 -9.072
18 HD12 LEU 2 HD12 LEU 2 56.980 1.899 -8.161
19 HD13 LEU 2 HD13 LEU 2 58.672 2.444 -8.215
20 HD21 LEU 2 HD21 LEU 2 59.466 4.067 -6.523
21 HD22 LEU 2 HD22 LEU 2 58.320 5.295 -5.933
22 HD23 LEU 2 HD23 LEU 2 58.684 5.179 -7.672
23 H GLY 3 HN GLY 3 54.400 5.936 -7.355
24 HA2 GLY 3 HA1 GLY 3 52.540 7.231 -6.901
25 HA3 GLY 3 HA2 GLY 3 51.569 5.881 -7.521
26 H ALA 4 HN ALA 4 53.741 5.892 -4.700
27 HA ALA 4 HA ALA 4 51.572 6.178 -2.785
28 HB1 ALA 4 HB1 ALA 4 52.717 3.405 -3.265
29 HB2 ALA 4 HB2 ALA 4 51.032 3.920 -3.521
30 HB3 ALA 4 HB3 ALA 4 51.707 3.869 -1.876
31 H LEU 5 HN LEU 5 54.772 4.654 -3.346
32 HA LEU 5 HA LEU 5 55.694 5.206 -0.650
33 HB2 LEU 5 HB2 LEU 5 57.471 4.772 -3.075
34 HB3 LEU 5 HB1 LEU 5 57.786 4.345 -1.377
35 HG LEU 5 HG LEU 5 55.694 3.086 -3.206
36 HD11 LEU 5 HD11 LEU 5 57.078 1.090 -3.035
37 HD12 LEU 5 HD12 LEU 5 58.167 1.895 -1.878
38 HD13 LEU 5 HD13 LEU 5 58.106 2.441 -3.571
39 HD21 LEU 5 HD21 LEU 5 56.311 2.753 -0.239
40 HD22 LEU 5 HD22 LEU 5 55.492 1.483 -1.181
41 HD23 LEU 5 HD23 LEU 5 54.741 3.086 -1.009
42 H ILE 6 HN ILE 6 54.999 7.231 -3.202
43 HA ILE 6 HA ILE 6 56.348 9.479 -1.894
44 HB ILE 6 HB ILE 6 58.131 8.236 -3.421
45 HG12 ILE 6 HG12 ILE 6 57.622 11.244 -3.582
46 HG13 ILE 6 HG11 ILE 6 58.565 10.376 -2.357
47 HG21 ILE 6 HG21 ILE 6 58.091 8.503 -5.728
48 HG22 ILE 6 HG22 ILE 6 57.053 9.939 -5.675
49 HG23 ILE 6 HG23 ILE 6 56.354 8.325 -5.403
50 HD11 ILE 6 HD1 ILE 6 59.226 10.775 -5.296
51 HD12 ILE 6 HD2 ILE 6 60.024 9.526 -4.311
52 HD13 ILE 6 HD3 ILE 6 60.184 11.242 -3.873
53 H LYS 7 HN LYS 7 56.289 11.053 -4.518
54 HA LYS 7 HA LYS 7 54.671 12.561 -5.249
55 HB2 LYS 7 HB2 LYS 7 52.615 10.313 -4.983
56 HB3 LYS 7 HB1 LYS 7 52.520 11.742 -6.036
57 HG2 LYS 7 HG2 LYS 7 54.484 9.425 -6.303
58 HG3 LYS 7 HG1 LYS 7 53.100 9.765 -7.366
59 HD2 LYS 7 HD2 LYS 7 54.205 12.073 -7.779
60 HD3 LYS 7 HD1 LYS 7 55.661 11.375 -7.028
61 HE2 LYS 7 HE2 LYS 7 55.519 9.477 -8.696
62 HE3 LYS 7 HE1 LYS 7 54.209 10.366 -9.510
63 HZ1 LYS 7 HZ1 LYS 7 56.029 11.120 -10.646
64 HZ2 LYS 7 HZ2 LYS 7 57.070 11.022 -9.307
65 HZ3 LYS 7 HZ3 LYS 7 55.950 12.294 -9.424
66 H GLY 8 HN GLY 8 55.523 11.751 -2.811
67 HA2 GLY 8 HA1 GLY 8 55.219 11.621 -0.604
68 HA3 GLY 8 HA2 GLY 8 54.642 13.317 -0.831
69 H ALA 9 HN ALA 9 53.689 9.919 -0.688
70 HA ALA 9 HA ALA 9 51.754 8.882 -0.007
71 HB1 ALA 9 HB1 ALA 9 51.016 11.505 1.331
72 HB2 ALA 9 HB2 ALA 9 52.189 10.358 2.021
73 HB3 ALA 9 HB3 ALA 9 50.496 9.864 1.775
74 H ILE 10 HN ILE 10 51.385 9.106 -2.393
75 HA ILE 10 HA ILE 10 49.880 9.404 -4.113
76 HB ILE 10 HB ILE 10 48.092 10.027 -1.735
77 HG12 ILE 10 HG12 ILE 10 47.445 8.187 -4.062
78 HG13 ILE 10 HG11 ILE 10 48.689 7.692 -2.895
79 HG21 ILE 10 HG21 ILE 10 47.210 11.722 -3.109
80 HG22 ILE 10 HG22 ILE 10 46.182 10.321 -3.491
81 HG23 ILE 10 HG23 ILE 10 47.485 10.792 -4.602
82 HD11 ILE 10 HD1 ILE 10 47.032 8.049 -1.035
83 HD12 ILE 10 HD2 ILE 10 46.539 6.788 -2.186
84 HD13 ILE 10 HD3 ILE 10 45.786 8.394 -2.256
85 H HIS 11 HN HIS 11 49.049 12.187 -2.019
86 HA HIS 11 HA HIS 11 50.521 14.046 -3.768
87 HB2 HIS 11 HB2 HIS 11 48.318 13.664 -4.961
88 HB3 HIS 11 HB1 HIS 11 47.492 14.290 -3.513
89 HD1 HIS 11 HD1 HIS 11 50.782 15.668 -4.855
90 HD2 HIS 11 HD2 HIS 11 46.737 16.783 -4.563
91 HE1 HIS 11 HE1 HIS 11 50.609 18.109 -5.593
92 H GLY 12 HN GLY 12 49.670 12.887 -0.947
93 HA2 GLY 12 HA1 GLY 12 50.455 14.004 1.081
94 HA3 GLY 12 HA2 GLY 12 49.851 15.551 0.452
95 H GLY 13 HN GLY 13 48.063 12.536 0.137
96 HA2 GLY 13 HA1 GLY 13 46.057 11.858 1.068
97 HA3 GLY 13 HA2 GLY 13 46.508 12.760 2.528
98 H ARG 14 HN ARG 14 46.510 14.575 -0.385
99 HA ARG 14 HA ARG 14 44.200 16.137 0.586
100 HB2 ARG 14 HB2 ARG 14 46.171 16.432 -1.706
101 HB3 ARG 14 HB1 ARG 14 44.753 17.495 -1.557
102 HG2 ARG 14 HG2 ARG 14 46.565 17.110 0.852
103 HG3 ARG 14 HG1 ARG 14 47.084 18.194 -0.457
104 HD2 ARG 14 HD2 ARG 14 44.315 18.447 0.778
105 HD3 ARG 14 HD1 ARG 14 45.733 19.235 1.506
106 HE ARG 14 HE ARG 14 45.735 19.910 -1.243
107 HH11 ARG 14 HH11 ARG 14 44.264 20.599 1.770
108 HH12 ARG 14 HH12 ARG 14 43.386 21.976 1.191
109 HH21 ARG 14 HH21 ARG 14 44.395 21.564 -2.101
110 HH22 ARG 14 HH22 ARG 14 43.460 22.521 -1.000
111 H PHE 15 HN PHE 15 44.825 13.548 -1.611
112 HA PHE 15 HA PHE 15 42.936 13.907 -3.641
113 HB2 PHE 15 HB2 PHE 15 44.467 11.950 -3.412
114 HB3 PHE 15 HB1 PHE 15 43.432 11.324 -2.106
115 HD1 PHE 15 HD1 PHE 15 43.646 12.053 -5.741
116 HD2 PHE 15 HD2 PHE 15 41.219 10.406 -2.575
117 HE1 PHE 15 HE1 PHE 15 42.133 11.029 -7.435
118 HE2 PHE 15 HE2 PHE 15 39.706 9.381 -4.269
119 HZ PHE 15 HZ PHE 15 40.124 9.753 -6.696
120 H ILE 16 HN ILE 16 42.434 12.983 -0.252
121 HA ILE 16 HA ILE 16 39.522 12.635 -0.670
122 HB ILE 16 HB ILE 16 41.077 12.716 1.953
123 HG12 ILE 16 HG12 ILE 16 41.811 10.914 0.214
124 HG13 ILE 16 HG11 ILE 16 41.399 10.372 1.850
125 HG21 ILE 16 HG21 ILE 16 39.077 11.333 2.709
126 HG22 ILE 16 HG22 ILE 16 38.302 11.757 1.164
127 HG23 ILE 16 HG23 ILE 16 38.732 13.035 2.324
128 HD11 ILE 16 HD1 ILE 16 39.397 10.350 -0.453
129 HD12 ILE 16 HD2 ILE 16 39.238 9.568 1.135
130 HD13 ILE 16 HD3 ILE 16 40.428 8.965 -0.039
131 H HIS 17 HN HIS 17 41.185 14.483 1.924
132 HA HIS 17 HA HIS 17 40.289 17.062 1.002
133 HB2 HIS 17 HB2 HIS 17 38.039 16.139 1.527
134 HB3 HIS 17 HB1 HIS 17 38.574 15.824 3.193
135 HD1 HIS 17 HD1 HIS 17 40.107 18.878 1.868
136 HD2 HIS 17 HD2 HIS 17 36.432 17.908 3.665
137 HE1 HIS 17 HE1 HIS 17 39.081 21.054 2.725
138 H GLY 18 HN GLY 18 42.702 16.239 1.890
139 HA2 GLY 18 HA1 GLY 18 44.114 17.694 3.330
140 HA3 GLY 18 HA2 GLY 18 42.912 17.494 4.623
141 H MET 19 HN MET 19 42.350 14.802 4.149
142 HA MET 19 HA MET 19 43.854 12.794 3.907
143 HB2 MET 19 HB2 MET 19 45.956 13.569 4.677
144 HB3 MET 19 HB1 MET 19 45.274 14.145 6.198
145 HG2 MET 19 HG2 MET 19 46.533 12.050 6.521
146 HG3 MET 19 HG1 MET 19 44.813 11.772 6.857
147 HE1 MET 19 HE1 MET 19 45.970 9.380 6.732
148 HE2 MET 19 HE2 MET 19 47.444 9.717 5.793
149 HE3 MET 19 HE3 MET 19 46.284 8.497 5.219
150 H ILE 20 HN ILE 20 41.888 11.961 3.936
151 HA ILE 20 HA ILE 20 40.071 10.871 4.889
152 HB ILE 20 HB ILE 20 41.469 10.893 7.609
153 HG12 ILE 20 HG12 ILE 20 42.005 9.029 5.249
154 HG13 ILE 20 HG11 ILE 20 43.165 10.141 6.005
155 HG21 ILE 20 HG21 ILE 20 40.178 8.933 8.031
156 HG22 ILE 20 HG22 ILE 20 39.826 8.684 6.303
157 HG23 ILE 20 HG23 ILE 20 39.053 10.019 7.186
158 HD11 ILE 20 HD1 ILE 20 41.949 7.619 7.171
159 HD12 ILE 20 HD2 ILE 20 42.700 8.858 8.207
160 HD13 ILE 20 HD3 ILE 20 43.667 8.027 6.965
161 H GLN 21 HN GLN 21 40.839 13.716 4.897
162 HA GLN 21 HA GLN 21 39.555 15.651 5.341
163 HB2 GLN 21 HB2 GLN 21 37.649 14.000 6.197
164 HB3 GLN 21 HB1 GLN 21 38.276 14.412 7.811
165 HG2 GLN 21 HG2 GLN 21 38.041 16.866 7.161
166 HG3 GLN 21 HG1 GLN 21 37.166 16.318 5.711
167 HE21 GLN 21 HE21 GLN 21 34.946 16.420 6.006
168 HE22 GLN 21 HE22 GLN 21 34.123 16.076 7.531
169 H ASN 22 HN ASN 22 42.048 14.587 6.109
170 HA ASN 22 HA ASN 22 43.768 14.823 7.608
171 HB2 ASN 22 HB2 ASN 22 43.852 16.969 6.664
172 HB3 ASN 22 HB1 ASN 22 42.482 17.553 7.654
173 HD21 ASN 22 HD21 ASN 22 44.256 19.280 8.224
174 HD22 ASN 22 HD22 ASN 22 45.309 18.883 9.587
175 H HIS 23 HN HIS 23 42.368 13.202 8.670
176 HA HIS 23 HA HIS 23 41.102 13.998 11.183
177 HB2 HIS 23 HB2 HIS 23 40.525 11.929 9.895
178 HB3 HIS 23 HB1 HIS 23 42.112 11.256 10.336
179 HD1 HIS 23 HD1 HIS 23 42.580 10.868 12.935
180 HD2 HIS 23 HD2 HIS 23 38.613 11.868 11.963
181 HE1 HIS 23 HE1 HIS 23 41.128 10.268 14.950
182 H HIS 24 HN HIS 24 41.789 13.238 13.321
183 HA HIS 24 HA HIS 24 44.368 14.196 14.002
184 HB2 HIS 24 HB2 HIS 24 42.432 13.899 15.572
185 HB3 HIS 24 HB1 HIS 24 42.727 12.144 15.538
186 HD1 HIS 24 HD1 HIS 24 43.840 11.550 17.692
187 HD2 HIS 24 HD2 HIS 24 45.330 15.138 16.086
188 HE1 HIS 24 HE1 HIS 24 45.787 12.296 19.170
Start of MODEL 91
1 H1 PHE 1 HT1 PHE 1 62.481 -0.449 -9.332
2 H2 PHE 1 HT2 PHE 1 62.891 -0.091 -7.722
3 H3 PHE 1 HT3 PHE 1 61.740 0.854 -8.541
4 HA PHE 1 HA PHE 1 60.700 -1.589 -8.790
5 HB2 PHE 1 HB2 PHE 1 62.430 -2.517 -7.286
6 HB3 PHE 1 HB1 PHE 1 61.957 -1.351 -6.026
7 HD1 PHE 1 HD1 PHE 1 61.050 -4.451 -7.792
8 HD2 PHE 1 HD2 PHE 1 59.719 -1.489 -4.950
9 HE1 PHE 1 HE1 PHE 1 59.237 -5.987 -7.041
10 HE2 PHE 1 HE2 PHE 1 57.905 -3.025 -4.198
11 HZ PHE 1 HZ PHE 1 57.622 -5.244 -5.295
12 H LEU 2 HN LEU 2 61.171 1.317 -6.879
13 HA LEU 2 HA LEU 2 58.857 1.439 -5.344
14 HB2 LEU 2 HB2 LEU 2 59.080 3.810 -5.358
15 HB3 LEU 2 HB1 LEU 2 60.724 3.165 -5.538
16 HG LEU 2 HG LEU 2 58.943 4.325 -7.729
17 HD11 LEU 2 HD11 LEU 2 60.228 5.867 -6.180
18 HD12 LEU 2 HD12 LEU 2 60.672 6.008 -7.899
19 HD13 LEU 2 HD13 LEU 2 61.727 5.115 -6.776
20 HD21 LEU 2 HD21 LEU 2 60.052 2.476 -8.779
21 HD22 LEU 2 HD22 LEU 2 61.560 2.770 -7.880
22 HD23 LEU 2 HD23 LEU 2 61.052 3.895 -9.163
23 H GLY 3 HN GLY 3 56.957 3.041 -5.805
24 HA2 GLY 3 HA1 GLY 3 55.910 3.412 -8.383
25 HA3 GLY 3 HA2 GLY 3 55.384 1.795 -7.878
26 H ALA 4 HN ALA 4 55.611 3.121 -4.997
27 HA ALA 4 HA ALA 4 53.437 5.022 -4.936
28 HB1 ALA 4 HB1 ALA 4 52.048 3.129 -5.525
29 HB2 ALA 4 HB2 ALA 4 51.770 3.535 -3.815
30 HB3 ALA 4 HB3 ALA 4 52.786 2.138 -4.246
31 H LEU 5 HN LEU 5 54.745 6.151 -3.532
32 HA LEU 5 HA LEU 5 54.515 5.435 -0.755
33 HB2 LEU 5 HB2 LEU 5 56.272 3.814 -1.248
34 HB3 LEU 5 HB1 LEU 5 57.249 5.062 -2.048
35 HG LEU 5 HG LEU 5 57.548 6.256 0.075
36 HD11 LEU 5 HD11 LEU 5 55.555 4.192 1.085
37 HD12 LEU 5 HD12 LEU 5 55.530 5.960 1.289
38 HD13 LEU 5 HD13 LEU 5 56.696 4.979 2.202
39 HD21 LEU 5 HD21 LEU 5 58.935 4.624 1.210
40 HD22 LEU 5 HD22 LEU 5 59.016 4.285 -0.536
41 HD23 LEU 5 HD23 LEU 5 58.000 3.276 0.522
42 H ILE 6 HN ILE 6 55.974 7.298 -3.356
43 HA ILE 6 HA ILE 6 56.287 9.663 -1.459
44 HB ILE 6 HB ILE 6 57.851 10.575 -3.168
45 HG12 ILE 6 HG12 ILE 6 57.392 7.915 -4.604
46 HG13 ILE 6 HG11 ILE 6 56.837 9.502 -5.176
47 HG21 ILE 6 HG21 ILE 6 59.702 9.140 -2.682
48 HG22 ILE 6 HG22 ILE 6 58.656 7.704 -2.565
49 HG23 ILE 6 HG23 ILE 6 58.586 8.963 -1.309
50 HD11 ILE 6 HD1 ILE 6 59.342 10.212 -5.021
51 HD12 ILE 6 HD2 ILE 6 58.857 9.149 -6.364
52 HD13 ILE 6 HD3 ILE 6 59.679 8.465 -4.943
53 H LYS 7 HN LYS 7 56.545 11.389 -3.962
54 HA LYS 7 HA LYS 7 55.022 12.944 -4.790
55 HB2 LYS 7 HB2 LYS 7 53.314 10.424 -5.131
56 HB3 LYS 7 HB1 LYS 7 52.781 12.037 -5.657
57 HG2 LYS 7 HG2 LYS 7 54.764 12.221 -7.128
58 HG3 LYS 7 HG1 LYS 7 55.300 10.605 -6.606
59 HD2 LYS 7 HD2 LYS 7 53.100 9.684 -7.439
60 HD3 LYS 7 HD1 LYS 7 52.742 11.291 -8.114
61 HE2 LYS 7 HE2 LYS 7 54.920 11.151 -9.396
62 HE3 LYS 7 HE1 LYS 7 55.072 9.467 -8.843
63 HZ1 LYS 7 HZ1 LYS 7 53.137 10.653 -10.714
64 HZ2 LYS 7 HZ2 LYS 7 52.649 9.322 -9.777
65 HZ3 LYS 7 HZ3 LYS 7 53.984 9.185 -10.819
66 H GLY 8 HN GLY 8 55.519 11.960 -2.320
67 HA2 GLY 8 HA1 GLY 8 54.923 11.682 -0.198
68 HA3 GLY 8 HA2 GLY 8 54.322 13.374 -0.388
69 H ALA 9 HN ALA 9 53.495 9.949 -0.545
70 HA ALA 9 HA ALA 9 51.527 8.816 -0.181
71 HB1 ALA 9 HB1 ALA 9 50.512 11.345 1.152
72 HB2 ALA 9 HB2 ALA 9 51.638 10.214 1.940
73 HB3 ALA 9 HB3 ALA 9 50.014 9.666 1.461
74 H ILE 10 HN ILE 10 51.445 9.138 -2.592
75 HA ILE 10 HA ILE 10 50.145 9.439 -4.468
76 HB ILE 10 HB ILE 10 48.076 9.758 -2.286
77 HG12 ILE 10 HG12 ILE 10 46.949 7.995 -3.611
78 HG13 ILE 10 HG11 ILE 10 48.205 8.139 -4.866
79 HG21 ILE 10 HG21 ILE 10 47.292 11.597 -3.572
80 HG22 ILE 10 HG22 ILE 10 46.311 10.211 -4.104
81 HG23 ILE 10 HG23 ILE 10 47.661 10.783 -5.114
82 HD11 ILE 10 HD1 ILE 10 49.916 7.355 -3.371
83 HD12 ILE 10 HD2 ILE 10 48.537 6.252 -3.164
84 HD13 ILE 10 HD3 ILE 10 48.851 7.521 -1.955
85 H HIS 11 HN HIS 11 49.054 12.118 -2.322
86 HA HIS 11 HA HIS 11 50.522 14.065 -3.984
87 HB2 HIS 11 HB2 HIS 11 48.385 13.731 -5.239
88 HB3 HIS 11 HB1 HIS 11 47.482 14.175 -3.771
89 HD1 HIS 11 HD1 HIS 11 47.630 16.655 -2.940
90 HD2 HIS 11 HD2 HIS 11 49.542 15.910 -6.610
91 HE1 HIS 11 HE1 HIS 11 48.176 18.920 -3.987
92 H GLY 12 HN GLY 12 49.454 12.829 -1.171
93 HA2 GLY 12 HA1 GLY 12 50.155 13.815 0.927
94 HA3 GLY 12 HA2 GLY 12 49.853 15.436 0.272
95 H GLY 13 HN GLY 13 47.860 12.457 0.291
96 HA2 GLY 13 HA1 GLY 13 45.645 12.184 0.920
97 HA3 GLY 13 HA2 GLY 13 46.138 13.048 2.389
98 H ARG 14 HN ARG 14 45.147 13.604 -1.009
99 HA ARG 14 HA ARG 14 43.194 15.604 -0.130
100 HB2 ARG 14 HB2 ARG 14 45.511 16.784 -0.205
101 HB3 ARG 14 HB1 ARG 14 45.408 16.592 -1.967
102 HG2 ARG 14 HG2 ARG 14 44.516 18.765 -1.504
103 HG3 ARG 14 HG1 ARG 14 43.118 17.729 -1.845
104 HD2 ARG 14 HD2 ARG 14 42.405 17.730 0.397
105 HD3 ARG 14 HD1 ARG 14 44.035 18.059 1.029
106 HE ARG 14 HE ARG 14 43.269 20.315 -0.497
107 HH11 ARG 14 HH11 ARG 14 40.648 19.433 0.880
108 HH12 ARG 14 HH12 ARG 14 40.695 20.420 2.304
109 HH21 ARG 14 HH21 ARG 14 44.050 21.224 1.955
110 HH22 ARG 14 HH22 ARG 14 42.622 21.433 2.912
111 H PHE 15 HN PHE 15 44.642 13.463 -2.373
112 HA PHE 15 HA PHE 15 42.768 14.253 -4.574
113 HB2 PHE 15 HB2 PHE 15 45.247 13.641 -4.958
114 HB3 PHE 15 HB1 PHE 15 44.782 11.965 -4.582
115 HD1 PHE 15 HD1 PHE 15 43.740 14.881 -6.735
116 HD2 PHE 15 HD2 PHE 15 43.975 10.589 -6.339
117 HE1 PHE 15 HE1 PHE 15 42.899 14.619 -9.065
118 HE2 PHE 15 HE2 PHE 15 43.132 10.329 -8.668
119 HZ PHE 15 HZ PHE 15 42.527 12.342 -10.005
120 H ILE 16 HN ILE 16 43.110 12.192 -1.891
121 HA ILE 16 HA ILE 16 40.548 10.870 -2.489
122 HB ILE 16 HB ILE 16 41.315 8.594 -2.124
123 HG12 ILE 16 HG12 ILE 16 43.229 8.608 -0.740
124 HG13 ILE 16 HG11 ILE 16 43.914 8.184 -2.312
125 HG21 ILE 16 HG21 ILE 16 43.044 9.857 -4.287
126 HG22 ILE 16 HG22 ILE 16 41.295 9.578 -4.434
127 HG23 ILE 16 HG23 ILE 16 42.403 8.201 -4.241
128 HD11 ILE 16 HD1 ILE 16 43.977 10.910 -0.947
129 HD12 ILE 16 HD2 ILE 16 44.478 10.643 -2.634
130 HD13 ILE 16 HD3 ILE 16 45.346 9.842 -1.313
131 H HIS 17 HN HIS 17 41.046 12.830 -0.690
132 HA HIS 17 HA HIS 17 40.734 11.359 1.901
133 HB2 HIS 17 HB2 HIS 17 43.113 12.152 1.709
134 HB3 HIS 17 HB1 HIS 17 42.500 13.817 1.568
135 HD1 HIS 17 HD1 HIS 17 41.650 14.986 3.679
136 HD2 HIS 17 HD2 HIS 17 42.529 10.921 4.291
137 HE1 HIS 17 HE1 HIS 17 41.600 14.567 6.199
138 H GLY 18 HN GLY 18 40.215 14.182 -0.162
139 HA2 GLY 18 HA1 GLY 18 38.860 15.910 1.592
140 HA3 GLY 18 HA2 GLY 18 38.452 15.694 -0.133
141 H MET 19 HN MET 19 37.687 13.237 -0.325
142 HA MET 19 HA MET 19 35.850 12.218 1.521
143 HB2 MET 19 HB2 MET 19 34.694 14.483 0.865
144 HB3 MET 19 HB1 MET 19 34.329 13.624 -0.642
145 HG2 MET 19 HG2 MET 19 32.426 13.205 0.700
146 HG3 MET 19 HG1 MET 19 33.401 11.738 0.934
147 HE1 MET 19 HE1 MET 19 32.729 15.271 3.751
148 HE2 MET 19 HE2 MET 19 31.394 14.428 2.930
149 HE3 MET 19 HE3 MET 19 32.665 15.227 1.973
150 H ILE 20 HN ILE 20 37.873 11.917 -0.672
151 HA ILE 20 HA ILE 20 38.242 10.364 -2.345
152 HB ILE 20 HB ILE 20 35.598 8.992 -1.656
153 HG12 ILE 20 HG12 ILE 20 36.649 9.191 0.490
154 HG13 ILE 20 HG11 ILE 20 37.003 7.547 -0.071
155 HG21 ILE 20 HG21 ILE 20 36.559 8.067 -3.612
156 HG22 ILE 20 HG22 ILE 20 37.047 6.955 -2.317
157 HG23 ILE 20 HG23 ILE 20 38.208 8.133 -2.960
158 HD11 ILE 20 HD1 ILE 20 38.876 9.957 -0.080
159 HD12 ILE 20 HD2 ILE 20 39.245 8.435 -0.921
160 HD13 ILE 20 HD3 ILE 20 39.048 8.448 0.842
161 H GLN 21 HN GLN 21 35.723 12.453 -1.790
162 HA GLN 21 HA GLN 21 35.008 12.479 -4.758
163 HB2 GLN 21 HB2 GLN 21 33.199 11.359 -3.469
164 HB3 GLN 21 HB1 GLN 21 33.045 12.812 -2.456
165 HG2 GLN 21 HG2 GLN 21 32.321 14.152 -4.307
166 HG3 GLN 21 HG1 GLN 21 32.799 12.910 -5.489
167 HE21 GLN 21 HE21 GLN 21 30.102 14.221 -4.008
168 HE22 GLN 21 HE22 GLN 21 29.038 12.814 -4.080
169 H ASN 22 HN ASN 22 36.004 14.204 -1.897
170 HA ASN 22 HA ASN 22 35.218 16.818 -3.193
171 HB2 ASN 22 HB2 ASN 22 34.462 16.384 -0.827
172 HB3 ASN 22 HB1 ASN 22 36.174 16.314 -0.350
173 HD21 ASN 22 HD21 ASN 22 35.502 18.284 1.024
174 HD22 ASN 22 HD22 ASN 22 35.556 19.862 0.231
175 H HIS 23 HN HIS 23 37.832 14.720 -2.229
176 HA HIS 23 HA HIS 23 40.127 14.955 -2.396
177 HB2 HIS 23 HB2 HIS 23 39.253 16.758 -4.684
178 HB3 HIS 23 HB1 HIS 23 40.922 16.198 -4.428
179 HD1 HIS 23 HD1 HIS 23 40.214 15.126 -6.952
180 HD2 HIS 23 HD2 HIS 23 38.740 13.291 -3.468
181 HE1 HIS 23 HE1 HIS 23 39.464 12.769 -7.592
182 H HIS 24 HN HIS 24 39.574 18.226 -3.634
183 HA HIS 24 HA HIS 24 41.420 19.365 -1.721
184 HB2 HIS 24 HB2 HIS 24 39.379 20.706 -3.538
185 HB3 HIS 24 HB1 HIS 24 40.709 21.528 -2.687
186 HD1 HIS 24 HD1 HIS 24 42.884 19.264 -3.144
187 HD2 HIS 24 HD2 HIS 24 40.484 21.012 -6.122
188 HE1 HIS 24 HE1 HIS 24 44.071 18.918 -5.381
Start of MODEL 92
1 H1 PHE 1 HT1 PHE 1 53.702 6.925 -12.477
2 H2 PHE 1 HT2 PHE 1 54.064 7.812 -11.075
3 H3 PHE 1 HT3 PHE 1 52.760 8.271 -12.062
4 HA PHE 1 HA PHE 1 52.069 7.149 -10.033
5 HB2 PHE 1 HB2 PHE 1 51.526 5.752 -12.682
6 HB3 PHE 1 HB1 PHE 1 50.574 5.515 -11.196
7 HD1 PHE 1 HD1 PHE 1 49.129 7.288 -10.319
8 HD2 PHE 1 HD2 PHE 1 51.467 7.892 -13.897
9 HE1 PHE 1 HE1 PHE 1 47.799 9.329 -10.843
10 HE2 PHE 1 HE2 PHE 1 50.136 9.932 -14.421
11 HZ PHE 1 HZ PHE 1 48.277 10.629 -12.915
12 H LEU 2 HN LEU 2 54.668 6.479 -9.737
13 HA LEU 2 HA LEU 2 55.118 3.626 -10.159
14 HB2 LEU 2 HB2 LEU 2 56.608 5.373 -8.172
15 HB3 LEU 2 HB1 LEU 2 57.209 3.980 -9.103
16 HG LEU 2 HG LEU 2 56.421 6.711 -10.214
17 HD11 LEU 2 HD11 LEU 2 58.779 6.951 -10.706
18 HD12 LEU 2 HD12 LEU 2 59.107 5.271 -10.221
19 HD13 LEU 2 HD13 LEU 2 58.640 6.476 -8.997
20 HD21 LEU 2 HD21 LEU 2 55.792 5.098 -11.876
21 HD22 LEU 2 HD22 LEU 2 57.233 4.100 -11.561
22 HD23 LEU 2 HD23 LEU 2 57.400 5.679 -12.367
23 H GLY 3 HN GLY 3 55.232 1.981 -8.592
24 HA2 GLY 3 HA1 GLY 3 53.088 1.920 -6.747
25 HA3 GLY 3 HA2 GLY 3 54.476 0.815 -6.745
26 H ALA 4 HN ALA 4 55.995 3.628 -6.520
27 HA ALA 4 HA ALA 4 56.432 3.349 -3.658
28 HB1 ALA 4 HB1 ALA 4 58.198 4.053 -5.242
29 HB2 ALA 4 HB2 ALA 4 57.953 5.243 -3.941
30 HB3 ALA 4 HB3 ALA 4 57.294 5.552 -5.566
31 H LEU 5 HN LEU 5 55.624 4.474 -1.981
32 HA LEU 5 HA LEU 5 53.232 6.094 -2.467
33 HB2 LEU 5 HB2 LEU 5 54.773 5.228 0.003
34 HB3 LEU 5 HB1 LEU 5 53.415 6.371 0.111
35 HG LEU 5 HG LEU 5 51.892 4.748 -0.883
36 HD11 LEU 5 HD11 LEU 5 54.439 3.131 -1.287
37 HD12 LEU 5 HD12 LEU 5 53.210 3.590 -2.492
38 HD13 LEU 5 HD13 LEU 5 52.836 2.358 -1.266
39 HD21 LEU 5 HD21 LEU 5 52.311 4.602 1.557
40 HD22 LEU 5 HD22 LEU 5 53.647 3.463 1.262
41 HD23 LEU 5 HD23 LEU 5 51.975 2.994 0.872
42 H ILE 6 HN ILE 6 55.677 7.149 -3.638
43 HA ILE 6 HA ILE 6 56.449 9.448 -1.898
44 HB ILE 6 HB ILE 6 57.939 8.139 -3.681
45 HG12 ILE 6 HG12 ILE 6 59.020 10.546 -4.277
46 HG13 ILE 6 HG11 ILE 6 57.848 11.108 -3.066
47 HG21 ILE 6 HG21 ILE 6 57.119 10.259 -5.664
48 HG22 ILE 6 HG22 ILE 6 56.055 8.842 -5.504
49 HG23 ILE 6 HG23 ILE 6 57.765 8.626 -5.937
50 HD11 ILE 6 HD1 ILE 6 58.774 9.223 -1.551
51 HD12 ILE 6 HD2 ILE 6 59.820 10.637 -1.826
52 HD13 ILE 6 HD3 ILE 6 60.116 9.122 -2.712
53 H LYS 7 HN LYS 7 56.620 11.315 -4.273
54 HA LYS 7 HA LYS 7 55.297 13.178 -4.734
55 HB2 LYS 7 HB2 LYS 7 53.190 10.983 -5.038
56 HB3 LYS 7 HB1 LYS 7 52.809 12.704 -5.287
57 HG2 LYS 7 HG2 LYS 7 54.418 12.875 -7.090
58 HG3 LYS 7 HG1 LYS 7 55.044 11.243 -6.753
59 HD2 LYS 7 HD2 LYS 7 52.763 10.317 -7.277
60 HD3 LYS 7 HD1 LYS 7 52.254 11.955 -7.756
61 HE2 LYS 7 HE2 LYS 7 52.971 10.585 -9.715
62 HE3 LYS 7 HE1 LYS 7 53.998 12.021 -9.488
63 HZ1 LYS 7 HZ1 LYS 7 55.747 10.766 -8.766
64 HZ2 LYS 7 HZ2 LYS 7 55.039 9.658 -9.842
65 HZ3 LYS 7 HZ3 LYS 7 54.775 9.512 -8.170
66 H GLY 8 HN GLY 8 55.924 11.874 -2.448
67 HA2 GLY 8 HA1 GLY 8 55.603 11.506 -0.294
68 HA3 GLY 8 HA2 GLY 8 55.242 13.276 -0.263
69 H ALA 9 HN ALA 9 53.956 10.018 -0.381
70 HA ALA 9 HA ALA 9 51.924 9.123 0.207
71 HB1 ALA 9 HB1 ALA 9 50.698 10.186 2.029
72 HB2 ALA 9 HB2 ALA 9 51.592 11.703 1.774
73 HB3 ALA 9 HB3 ALA 9 52.448 10.251 2.346
74 H ILE 10 HN ILE 10 51.675 9.800 -2.236
75 HA ILE 10 HA ILE 10 50.392 10.838 -3.907
76 HB ILE 10 HB ILE 10 47.923 10.277 -3.615
77 HG12 ILE 10 HG12 ILE 10 48.903 9.017 -1.008
78 HG13 ILE 10 HG11 ILE 10 47.969 10.527 -1.082
79 HG21 ILE 10 HG21 ILE 10 49.833 7.999 -2.934
80 HG22 ILE 10 HG22 ILE 10 49.686 8.710 -4.558
81 HG23 ILE 10 HG23 ILE 10 48.294 7.890 -3.819
82 HD11 ILE 10 HD1 ILE 10 46.237 9.130 -2.462
83 HD12 ILE 10 HD2 ILE 10 46.322 8.873 -0.705
84 HD13 ILE 10 HD3 ILE 10 47.094 7.714 -1.809
85 H HIS 11 HN HIS 11 51.259 12.983 -2.856
86 HA HIS 11 HA HIS 11 50.819 15.187 -2.265
87 HB2 HIS 11 HB2 HIS 11 48.250 14.576 -3.781
88 HB3 HIS 11 HB1 HIS 11 48.884 16.199 -3.420
89 HD1 HIS 11 HD1 HIS 11 51.128 16.930 -4.598
90 HD2 HIS 11 HD2 HIS 11 49.629 13.206 -5.852
91 HE1 HIS 11 HE1 HIS 11 52.338 16.311 -6.761
92 H GLY 12 HN GLY 12 50.079 13.174 -0.318
93 HA2 GLY 12 HA1 GLY 12 49.152 13.314 1.815
94 HA3 GLY 12 HA2 GLY 12 48.431 14.879 1.389
95 H GLY 13 HN GLY 13 47.307 13.407 -1.109
96 HA2 GLY 13 HA1 GLY 13 45.559 11.360 -0.476
97 HA3 GLY 13 HA2 GLY 13 44.740 12.805 0.145
98 H ARG 14 HN ARG 14 46.511 11.789 -2.852
99 HA ARG 14 HA ARG 14 45.910 12.302 -5.076
100 HB2 ARG 14 HB2 ARG 14 43.061 12.256 -4.127
101 HB3 ARG 14 HB1 ARG 14 43.742 11.659 -5.654
102 HG2 ARG 14 HG2 ARG 14 45.005 9.925 -4.327
103 HG3 ARG 14 HG1 ARG 14 44.088 10.441 -2.891
104 HD2 ARG 14 HD2 ARG 14 43.004 8.495 -3.952
105 HD3 ARG 14 HD1 ARG 14 41.964 9.934 -4.071
106 HE ARG 14 HE ARG 14 43.636 9.696 -6.415
107 HH11 ARG 14 HH11 ARG 14 42.465 6.919 -6.018
108 HH12 ARG 14 HH12 ARG 14 41.000 7.034 -6.935
109 HH21 ARG 14 HH21 ARG 14 41.053 10.498 -7.084
110 HH22 ARG 14 HH22 ARG 14 40.200 9.060 -7.538
111 H PHE 15 HN PHE 15 46.474 14.395 -3.202
112 HA PHE 15 HA PHE 15 46.573 16.708 -3.314
113 HB2 PHE 15 HB2 PHE 15 45.964 16.280 -5.860
114 HB3 PHE 15 HB1 PHE 15 44.352 16.842 -5.371
115 HD1 PHE 15 HD1 PHE 15 47.835 17.813 -6.003
116 HD2 PHE 15 HD2 PHE 15 44.048 19.134 -4.407
117 HE1 PHE 15 HE1 PHE 15 48.616 20.176 -6.105
118 HE2 PHE 15 HE2 PHE 15 44.830 21.497 -4.509
119 HZ PHE 15 HZ PHE 15 47.146 22.008 -5.273
120 H ILE 16 HN ILE 16 43.453 15.107 -3.521
121 HA ILE 16 HA ILE 16 42.541 15.962 -1.011
122 HB ILE 16 HB ILE 16 42.275 18.060 -2.983
123 HG12 ILE 16 HG12 ILE 16 40.932 17.822 -0.253
124 HG13 ILE 16 HG11 ILE 16 42.631 18.277 -0.504
125 HG21 ILE 16 HG21 ILE 16 39.857 18.490 -3.030
126 HG22 ILE 16 HG22 ILE 16 39.551 16.993 -2.120
127 HG23 ILE 16 HG23 ILE 16 40.204 16.916 -3.772
128 HD11 ILE 16 HD1 ILE 16 41.579 20.127 -2.119
129 HD12 ILE 16 HD2 ILE 16 41.620 20.389 -0.361
130 HD13 ILE 16 HD3 ILE 16 40.120 19.844 -1.140
131 H HIS 17 HN HIS 17 42.214 14.688 -4.188
132 HA HIS 17 HA HIS 17 40.854 12.364 -3.558
133 HB2 HIS 17 HB2 HIS 17 38.937 14.661 -3.563
134 HB3 HIS 17 HB1 HIS 17 38.398 13.259 -4.497
135 HD1 HIS 17 HD1 HIS 17 37.923 14.550 -1.290
136 HD2 HIS 17 HD2 HIS 17 39.088 10.753 -2.679
137 HE1 HIS 17 HE1 HIS 17 37.448 12.875 0.581
138 H GLY 18 HN GLY 18 42.767 13.232 -5.538
139 HA2 GLY 18 HA1 GLY 18 42.767 11.953 -7.722
140 HA3 GLY 18 HA2 GLY 18 41.202 12.711 -8.080
141 H MET 19 HN MET 19 41.611 15.146 -7.061
142 HA MET 19 HA MET 19 43.783 16.623 -7.606
143 HB2 MET 19 HB2 MET 19 42.849 15.631 -10.181
144 HB3 MET 19 HB1 MET 19 42.713 17.395 -10.137
145 HG2 MET 19 HG2 MET 19 45.076 17.607 -9.556
146 HG3 MET 19 HG1 MET 19 45.237 15.840 -9.415
147 HE1 MET 19 HE1 MET 19 46.111 14.433 -11.233
148 HE2 MET 19 HE2 MET 19 45.372 14.447 -12.852
149 HE3 MET 19 HE3 MET 19 44.348 14.261 -11.407
150 H ILE 20 HN ILE 20 42.730 17.500 -5.844
151 HA ILE 20 HA ILE 20 41.358 19.114 -4.870
152 HB ILE 20 HB ILE 20 40.565 20.128 -7.641
153 HG12 ILE 20 HG12 ILE 20 43.146 20.720 -6.112
154 HG13 ILE 20 HG11 ILE 20 43.026 19.896 -7.681
155 HG21 ILE 20 HG21 ILE 20 41.171 21.719 -5.114
156 HG22 ILE 20 HG22 ILE 20 39.571 21.002 -5.396
157 HG23 ILE 20 HG23 ILE 20 40.213 22.207 -6.531
158 HD11 ILE 20 HD1 ILE 20 41.813 22.037 -8.508
159 HD12 ILE 20 HD2 ILE 20 43.569 22.139 -8.239
160 HD13 ILE 20 HD3 ILE 20 42.445 22.803 -7.031
161 H GLN 21 HN GLN 21 40.774 16.524 -6.238
162 HA GLN 21 HA GLN 21 38.887 15.099 -5.912
163 HB2 GLN 21 HB2 GLN 21 37.635 17.119 -4.757
164 HB3 GLN 21 HB1 GLN 21 36.956 17.415 -6.376
165 HG2 GLN 21 HG2 GLN 21 36.254 14.958 -6.405
166 HG3 GLN 21 HG1 GLN 21 36.693 14.897 -4.681
167 HE21 GLN 21 HE21 GLN 21 34.048 15.282 -6.667
168 HE22 GLN 21 HE22 GLN 21 33.054 16.298 -5.618
169 H ASN 22 HN ASN 22 40.530 16.021 -8.000
170 HA ASN 22 HA ASN 22 40.671 16.198 -10.294
171 HB2 ASN 22 HB2 ASN 22 39.507 14.344 -11.496
172 HB3 ASN 22 HB1 ASN 22 40.426 13.834 -10.049
173 HD21 ASN 22 HD21 ASN 22 37.128 14.378 -11.355
174 HD22 ASN 22 HD22 ASN 22 36.299 13.501 -10.063
175 H HIS 23 HN HIS 23 39.393 18.235 -9.385
176 HA HIS 23 HA HIS 23 37.713 19.818 -9.817
177 HB2 HIS 23 HB2 HIS 23 37.504 20.345 -12.239
178 HB3 HIS 23 HB1 HIS 23 39.194 20.095 -11.740
179 HD1 HIS 23 HD1 HIS 23 36.390 18.553 -13.752
180 HD2 HIS 23 HD2 HIS 23 40.428 17.803 -12.856
181 HE1 HIS 23 HE1 HIS 23 37.171 16.661 -15.281
182 H HIS 24 HN HIS 24 36.453 17.590 -8.889
183 HA HIS 24 HA HIS 24 34.425 16.457 -8.919
184 HB2 HIS 24 HB2 HIS 24 33.669 18.846 -8.792
185 HB3 HIS 24 HB1 HIS 24 33.508 18.847 -10.564
186 HD1 HIS 24 HD1 HIS 24 32.669 15.519 -9.668
187 HD2 HIS 24 HD2 HIS 24 30.652 19.186 -9.258
188 HE1 HIS 24 HE1 HIS 24 30.180 14.995 -9.425
Start of MODEL 93
1 H1 PHE 1 HT1 PHE 1 60.475 -2.070 -3.898
2 H2 PHE 1 HT2 PHE 1 60.875 -2.984 -5.272
3 H3 PHE 1 HT3 PHE 1 59.257 -2.861 -4.770
4 HA PHE 1 HA PHE 1 60.958 -0.676 -5.788
5 HB2 PHE 1 HB2 PHE 1 58.451 -1.880 -7.013
6 HB3 PHE 1 HB1 PHE 1 59.600 -0.741 -7.757
7 HD1 PHE 1 HD1 PHE 1 58.983 -4.253 -6.797
8 HD2 PHE 1 HD2 PHE 1 61.842 -1.488 -8.474
9 HE1 PHE 1 HE1 PHE 1 60.342 -6.167 -7.636
10 HE2 PHE 1 HE2 PHE 1 63.202 -3.403 -9.312
11 HZ PHE 1 HZ PHE 1 62.468 -5.740 -8.864
12 H LEU 2 HN LEU 2 58.739 0.717 -6.843
13 HA LEU 2 HA LEU 2 56.764 1.164 -4.755
14 HB2 LEU 2 HB2 LEU 2 57.636 3.656 -4.470
15 HB3 LEU 2 HB1 LEU 2 58.323 2.351 -3.478
16 HG LEU 2 HG LEU 2 60.233 2.134 -4.988
17 HD11 LEU 2 HD11 LEU 2 58.695 4.173 -6.645
18 HD12 LEU 2 HD12 LEU 2 59.328 2.587 -7.152
19 HD13 LEU 2 HD13 LEU 2 60.448 3.931 -6.839
20 HD21 LEU 2 HD21 LEU 2 60.218 3.898 -3.179
21 HD22 LEU 2 HD22 LEU 2 59.717 5.083 -4.409
22 HD23 LEU 2 HD23 LEU 2 61.298 4.276 -4.542
23 H GLY 3 HN GLY 3 55.662 3.434 -5.226
24 HA2 GLY 3 HA1 GLY 3 55.745 4.674 -7.716
25 HA3 GLY 3 HA2 GLY 3 54.742 3.231 -7.969
26 H ALA 4 HN ALA 4 54.706 4.484 -4.779
27 HA ALA 4 HA ALA 4 52.529 6.396 -5.202
28 HB1 ALA 4 HB1 ALA 4 50.890 5.037 -3.838
29 HB2 ALA 4 HB2 ALA 4 51.963 3.636 -4.071
30 HB3 ALA 4 HB3 ALA 4 51.199 4.416 -5.476
31 H LEU 5 HN LEU 5 54.857 4.686 -3.326
32 HA LEU 5 HA LEU 5 54.161 5.570 -0.702
33 HB2 LEU 5 HB2 LEU 5 55.926 3.846 -1.366
34 HB3 LEU 5 HB1 LEU 5 56.976 5.215 -1.793
35 HG LEU 5 HG LEU 5 56.409 6.071 0.660
36 HD11 LEU 5 HD11 LEU 5 56.147 4.129 2.244
37 HD12 LEU 5 HD12 LEU 5 55.824 3.077 0.849
38 HD13 LEU 5 HD13 LEU 5 54.710 4.409 1.238
39 HD21 LEU 5 HD21 LEU 5 58.333 4.739 1.546
40 HD22 LEU 5 HD22 LEU 5 58.659 5.415 -0.068
41 HD23 LEU 5 HD23 LEU 5 58.241 3.694 0.108
42 H ILE 6 HN ILE 6 56.372 6.985 -3.146
43 HA ILE 6 HA ILE 6 56.614 9.484 -1.505
44 HB ILE 6 HB ILE 6 58.166 10.214 -3.296
45 HG12 ILE 6 HG12 ILE 6 57.305 7.630 -4.682
46 HG13 ILE 6 HG11 ILE 6 57.013 9.286 -5.258
47 HG21 ILE 6 HG21 ILE 6 58.865 8.550 -1.465
48 HG22 ILE 6 HG22 ILE 6 59.912 8.621 -2.902
49 HG23 ILE 6 HG23 ILE 6 58.752 7.284 -2.712
50 HD11 ILE 6 HD1 ILE 6 58.907 8.576 -6.499
51 HD12 ILE 6 HD2 ILE 6 59.642 7.776 -5.090
52 HD13 ILE 6 HD3 ILE 6 59.605 9.555 -5.186
53 H LYS 7 HN LYS 7 56.844 11.180 -3.957
54 HA LYS 7 HA LYS 7 55.347 12.755 -4.797
55 HB2 LYS 7 HB2 LYS 7 54.541 10.575 -6.097
56 HB3 LYS 7 HB1 LYS 7 53.175 10.619 -4.960
57 HG2 LYS 7 HG2 LYS 7 52.624 12.914 -5.670
58 HG3 LYS 7 HG1 LYS 7 54.025 12.936 -6.763
59 HD2 LYS 7 HD2 LYS 7 51.942 10.738 -7.046
60 HD3 LYS 7 HD1 LYS 7 51.611 12.350 -7.716
61 HE2 LYS 7 HE2 LYS 7 54.024 10.600 -8.380
62 HE3 LYS 7 HE1 LYS 7 52.623 10.900 -9.431
63 HZ1 LYS 7 HZ1 LYS 7 53.680 13.358 -8.526
64 HZ2 LYS 7 HZ2 LYS 7 53.547 12.774 -10.116
65 HZ3 LYS 7 HZ3 LYS 7 54.934 12.432 -9.195
66 H GLY 8 HN GLY 8 55.848 11.756 -2.332
67 HA2 GLY 8 HA1 GLY 8 55.298 11.510 -0.203
68 HA3 GLY 8 HA2 GLY 8 54.708 13.206 -0.386
69 H ALA 9 HN ALA 9 53.855 9.791 -0.496
70 HA ALA 9 HA ALA 9 51.898 8.669 -0.055
71 HB1 ALA 9 HB1 ALA 9 50.404 9.558 1.568
72 HB2 ALA 9 HB2 ALA 9 50.848 11.236 1.173
73 HB3 ALA 9 HB3 ALA 9 52.015 10.178 2.002
74 H ILE 10 HN ILE 10 51.782 8.850 -2.471
75 HA ILE 10 HA ILE 10 50.470 9.086 -4.348
76 HB ILE 10 HB ILE 10 48.431 9.513 -2.154
77 HG12 ILE 10 HG12 ILE 10 48.036 7.810 -4.629
78 HG13 ILE 10 HG11 ILE 10 49.239 7.293 -3.429
79 HG21 ILE 10 HG21 ILE 10 46.649 9.844 -4.025
80 HG22 ILE 10 HG22 ILE 10 48.002 10.425 -5.016
81 HG23 ILE 10 HG23 ILE 10 47.585 11.262 -3.499
82 HD11 ILE 10 HD1 ILE 10 46.791 6.421 -3.171
83 HD12 ILE 10 HD2 ILE 10 46.428 8.051 -2.559
84 HD13 ILE 10 HD3 ILE 10 47.622 7.034 -1.723
85 H HIS 11 HN HIS 11 49.305 11.841 -2.348
86 HA HIS 11 HA HIS 11 50.825 13.738 -4.015
87 HB2 HIS 11 HB2 HIS 11 48.803 13.313 -5.401
88 HB3 HIS 11 HB1 HIS 11 47.776 13.759 -4.016
89 HD1 HIS 11 HD1 HIS 11 50.965 15.666 -4.464
90 HD2 HIS 11 HD2 HIS 11 46.919 16.086 -5.534
91 HE1 HIS 11 HE1 HIS 11 50.623 18.085 -5.210
92 H GLY 12 HN GLY 12 49.791 12.622 -1.201
93 HA2 GLY 12 HA1 GLY 12 50.446 13.891 0.807
94 HA3 GLY 12 HA2 GLY 12 49.751 15.354 0.083
95 H GLY 13 HN GLY 13 48.079 12.326 -0.328
96 HA2 GLY 13 HA1 GLY 13 46.097 11.538 0.573
97 HA3 GLY 13 HA2 GLY 13 46.496 12.413 2.065
98 H ARG 14 HN ARG 14 46.015 13.713 -1.217
99 HA ARG 14 HA ARG 14 43.478 15.030 -0.280
100 HB2 ARG 14 HB2 ARG 14 45.816 16.365 -1.704
101 HB3 ARG 14 HB1 ARG 14 44.220 17.107 -1.462
102 HG2 ARG 14 HG2 ARG 14 46.017 16.095 0.792
103 HG3 ARG 14 HG1 ARG 14 45.922 17.791 0.270
104 HD2 ARG 14 HD2 ARG 14 43.295 17.428 0.672
105 HD3 ARG 14 HD1 ARG 14 43.874 16.131 1.747
106 HE ARG 14 HE ARG 14 44.121 18.996 2.227
107 HH11 ARG 14 HH11 ARG 14 46.633 19.130 2.898
108 HH12 ARG 14 HH12 ARG 14 46.937 18.146 4.291
109 HH21 ARG 14 HH21 ARG 14 44.011 16.313 3.962
110 HH22 ARG 14 HH22 ARG 14 45.452 16.550 4.893
111 H PHE 15 HN PHE 15 45.175 13.181 -2.552
112 HA PHE 15 HA PHE 15 44.028 14.010 -5.013
113 HB2 PHE 15 HB2 PHE 15 45.817 12.267 -4.732
114 HB3 PHE 15 HB1 PHE 15 44.570 11.144 -4.138
115 HD1 PHE 15 HD1 PHE 15 45.559 13.274 -7.062
116 HD2 PHE 15 HD2 PHE 15 43.129 9.990 -5.665
117 HE1 PHE 15 HE1 PHE 15 44.943 12.728 -9.413
118 HE2 PHE 15 HE2 PHE 15 42.513 9.446 -8.017
119 HZ PHE 15 HZ PHE 15 43.341 10.878 -9.880
120 H ILE 16 HN ILE 16 42.672 12.425 -2.232
121 HA ILE 16 HA ILE 16 40.076 12.020 -3.717
122 HB ILE 16 HB ILE 16 40.973 10.595 -1.167
123 HG12 ILE 16 HG12 ILE 16 40.888 8.598 -3.025
124 HG13 ILE 16 HG11 ILE 16 41.337 9.933 -4.107
125 HG21 ILE 16 HG21 ILE 16 38.635 10.205 -3.091
126 HG22 ILE 16 HG22 ILE 16 38.538 10.833 -1.429
127 HG23 ILE 16 HG23 ILE 16 39.010 9.144 -1.713
128 HD11 ILE 16 HD1 ILE 16 42.870 8.776 -1.760
129 HD12 ILE 16 HD2 ILE 16 43.175 10.450 -2.273
130 HD13 ILE 16 HD3 ILE 16 43.434 9.110 -3.413
131 H HIS 17 HN HIS 17 40.865 12.114 -0.202
132 HA HIS 17 HA HIS 17 39.824 14.805 0.129
133 HB2 HIS 17 HB2 HIS 17 37.697 13.597 -0.454
134 HB3 HIS 17 HB1 HIS 17 37.925 12.593 0.995
135 HD1 HIS 17 HD1 HIS 17 39.268 15.812 1.824
136 HD2 HIS 17 HD2 HIS 17 35.360 14.305 1.466
137 HE1 HIS 17 HE1 HIS 17 37.732 17.356 3.157
138 H GLY 18 HN GLY 18 42.024 13.114 0.962
139 HA2 GLY 18 HA1 GLY 18 42.877 13.900 3.321
140 HA3 GLY 18 HA2 GLY 18 41.593 12.810 3.902
141 H MET 19 HN MET 19 41.583 10.794 2.276
142 HA MET 19 HA MET 19 43.842 9.683 1.270
143 HB2 MET 19 HB2 MET 19 44.179 9.789 4.140
144 HB3 MET 19 HB1 MET 19 44.000 8.086 3.673
145 HG2 MET 19 HG2 MET 19 45.979 10.052 2.436
146 HG3 MET 19 HG1 MET 19 46.377 8.818 3.655
147 HE1 MET 19 HE1 MET 19 47.291 6.570 3.011
148 HE2 MET 19 HE2 MET 19 46.313 5.510 1.969
149 HE3 MET 19 HE3 MET 19 45.562 6.330 3.358
150 H ILE 20 HN ILE 20 42.210 9.099 -0.092
151 HA ILE 20 HA ILE 20 40.616 7.605 -0.892
152 HB ILE 20 HB ILE 20 41.134 5.762 1.486
153 HG12 ILE 20 HG12 ILE 20 42.848 6.124 -1.020
154 HG13 ILE 20 HG11 ILE 20 43.362 6.375 0.662
155 HG21 ILE 20 HG21 ILE 20 40.664 5.057 -1.443
156 HG22 ILE 20 HG22 ILE 20 39.314 5.357 -0.326
157 HG23 ILE 20 HG23 ILE 20 40.448 4.028 -0.007
158 HD11 ILE 20 HD1 ILE 20 42.702 3.894 1.044
159 HD12 ILE 20 HD2 ILE 20 44.186 4.216 0.114
160 HD13 ILE 20 HD3 ILE 20 42.687 3.765 -0.732
161 H GLN 21 HN GLN 21 40.536 9.605 1.300
162 HA GLN 21 HA GLN 21 38.623 10.701 2.206
163 HB2 GLN 21 HB2 GLN 21 37.116 8.830 1.090
164 HB3 GLN 21 HB1 GLN 21 37.202 8.050 2.687
165 HG2 GLN 21 HG2 GLN 21 36.431 10.253 3.698
166 HG3 GLN 21 HG1 GLN 21 36.132 10.829 2.040
167 HE21 GLN 21 HE21 GLN 21 34.256 10.045 4.426
168 HE22 GLN 21 HE22 GLN 21 33.100 8.949 3.664
169 H ASN 22 HN ASN 22 41.051 9.587 3.070
170 HA ASN 22 HA ASN 22 42.199 8.897 4.939
171 HB2 ASN 22 HB2 ASN 22 41.549 10.124 7.023
172 HB3 ASN 22 HB1 ASN 22 41.746 11.144 5.570
173 HD21 ASN 22 HD21 ASN 22 39.734 11.884 4.455
174 HD22 ASN 22 HD22 ASN 22 38.225 11.971 5.370
175 H HIS 23 HN HIS 23 40.742 6.921 4.062
176 HA HIS 23 HA HIS 23 38.800 5.766 5.760
177 HB2 HIS 23 HB2 HIS 23 39.554 4.867 3.544
178 HB3 HIS 23 HB1 HIS 23 41.040 4.282 4.329
179 HD1 HIS 23 HD1 HIS 23 38.284 4.065 6.693
180 HD2 HIS 23 HD2 HIS 23 39.771 1.653 3.586
181 HE1 HIS 23 HE1 HIS 23 37.297 1.729 7.003
182 H HIS 24 HN HIS 24 42.310 5.969 6.134
183 HA HIS 24 HA HIS 24 42.087 5.367 8.974
184 HB2 HIS 24 HB2 HIS 24 43.544 3.342 8.927
185 HB3 HIS 24 HB1 HIS 24 41.957 3.065 8.167
186 HD1 HIS 24 HD1 HIS 24 41.863 2.747 5.596
187 HD2 HIS 24 HD2 HIS 24 45.741 3.286 7.125
188 HE1 HIS 24 HE1 HIS 24 43.505 2.188 3.720
Start of MODEL 94
1 H1 PHE 1 HT1 PHE 1 54.194 5.574 10.285
2 H2 PHE 1 HT2 PHE 1 52.977 6.171 9.259
3 H3 PHE 1 HT3 PHE 1 54.583 6.694 9.074
4 HA PHE 1 HA PHE 1 55.301 4.645 8.291
5 HB2 PHE 1 HB2 PHE 1 53.923 3.334 9.940
6 HB3 PHE 1 HB1 PHE 1 52.509 3.591 8.891
7 HD1 PHE 1 HD1 PHE 1 52.177 2.254 6.930
8 HD2 PHE 1 HD2 PHE 1 55.975 2.166 8.979
9 HE1 PHE 1 HE1 PHE 1 52.900 0.338 5.510
10 HE2 PHE 1 HE2 PHE 1 56.697 0.251 7.558
11 HZ PHE 1 HZ PHE 1 55.136 -0.702 5.866
12 H LEU 2 HN LEU 2 55.510 5.545 6.316
13 HA LEU 2 HA LEU 2 53.491 6.745 4.783
14 HB2 LEU 2 HB2 LEU 2 54.977 6.622 2.933
15 HB3 LEU 2 HB1 LEU 2 56.017 6.717 4.368
16 HG LEU 2 HG LEU 2 55.346 4.228 2.731
17 HD11 LEU 2 HD11 LEU 2 57.803 4.186 2.406
18 HD12 LEU 2 HD12 LEU 2 57.954 5.674 3.373
19 HD13 LEU 2 HD13 LEU 2 57.098 5.709 1.813
20 HD21 LEU 2 HD21 LEU 2 55.364 3.484 5.021
21 HD22 LEU 2 HD22 LEU 2 56.732 4.548 5.429
22 HD23 LEU 2 HD23 LEU 2 56.986 3.128 4.386
23 H GLY 3 HN GLY 3 53.014 5.780 2.420
24 HA2 GLY 3 HA1 GLY 3 52.341 2.948 2.401
25 HA3 GLY 3 HA2 GLY 3 50.922 3.978 2.681
26 H ALA 4 HN ALA 4 53.699 4.987 0.764
27 HA ALA 4 HA ALA 4 52.588 4.190 -1.790
28 HB1 ALA 4 HB1 ALA 4 50.992 6.020 -1.060
29 HB2 ALA 4 HB2 ALA 4 51.813 6.299 -2.615
30 HB3 ALA 4 HB3 ALA 4 52.366 7.146 -1.150
31 H LEU 5 HN LEU 5 53.815 5.106 -3.618
32 HA LEU 5 HA LEU 5 56.648 5.299 -2.882
33 HB2 LEU 5 HB2 LEU 5 55.098 5.281 -5.493
34 HB3 LEU 5 HB1 LEU 5 56.847 5.604 -5.459
35 HG LEU 5 HG LEU 5 57.286 3.452 -4.409
36 HD11 LEU 5 HD11 LEU 5 55.269 1.847 -4.136
37 HD12 LEU 5 HD12 LEU 5 54.251 3.304 -4.228
38 HD13 LEU 5 HD13 LEU 5 55.449 3.133 -2.921
39 HD21 LEU 5 HD21 LEU 5 56.451 1.938 -6.199
40 HD22 LEU 5 HD22 LEU 5 57.041 3.480 -6.867
41 HD23 LEU 5 HD23 LEU 5 55.292 3.190 -6.706
42 H ILE 6 HN ILE 6 56.313 7.307 -1.571
43 HA ILE 6 HA ILE 6 56.463 9.639 -1.306
44 HB ILE 6 HB ILE 6 57.682 9.805 -4.110
45 HG12 ILE 6 HG12 ILE 6 58.965 8.529 -1.646
46 HG13 ILE 6 HG11 ILE 6 58.602 7.720 -3.188
47 HG21 ILE 6 HG21 ILE 6 58.719 10.954 -1.487
48 HG22 ILE 6 HG22 ILE 6 57.420 11.761 -2.393
49 HG23 ILE 6 HG23 ILE 6 59.011 11.525 -3.148
50 HD11 ILE 6 HD1 ILE 6 60.655 9.894 -2.646
51 HD12 ILE 6 HD2 ILE 6 60.109 9.499 -4.295
52 HD13 ILE 6 HD3 ILE 6 60.922 8.264 -3.304
53 H LYS 7 HN LYS 7 56.568 11.350 -3.957
54 HA LYS 7 HA LYS 7 54.915 12.799 -4.750
55 HB2 LYS 7 HB2 LYS 7 53.054 10.367 -4.698
56 HB3 LYS 7 HB1 LYS 7 52.832 11.855 -5.651
57 HG2 LYS 7 HG2 LYS 7 54.828 11.349 -6.980
58 HG3 LYS 7 HG1 LYS 7 55.164 9.916 -5.978
59 HD2 LYS 7 HD2 LYS 7 53.161 8.807 -6.738
60 HD3 LYS 7 HD1 LYS 7 52.570 10.289 -7.530
61 HE2 LYS 7 HE2 LYS 7 54.341 10.208 -9.175
62 HE3 LYS 7 HE1 LYS 7 55.165 8.893 -8.303
63 HZ1 LYS 7 HZ1 LYS 7 53.478 7.389 -8.852
64 HZ2 LYS 7 HZ2 LYS 7 53.739 8.258 -10.288
65 HZ3 LYS 7 HZ3 LYS 7 52.392 8.608 -9.313
66 H GLY 8 HN GLY 8 55.620 11.965 -2.274
67 HA2 GLY 8 HA1 GLY 8 55.158 11.733 -0.104
68 HA3 GLY 8 HA2 GLY 8 54.551 13.421 -0.319
69 H ALA 9 HN ALA 9 53.718 10.007 -0.241
70 HA ALA 9 HA ALA 9 51.799 8.899 0.343
71 HB1 ALA 9 HB1 ALA 9 50.362 9.854 1.977
72 HB2 ALA 9 HB2 ALA 9 50.741 11.514 1.459
73 HB3 ALA 9 HB3 ALA 9 51.970 10.540 2.303
74 H ILE 10 HN ILE 10 51.623 8.967 -2.073
75 HA ILE 10 HA ILE 10 50.281 9.090 -3.929
76 HB ILE 10 HB ILE 10 48.275 9.548 -1.718
77 HG12 ILE 10 HG12 ILE 10 49.069 7.299 -2.759
78 HG13 ILE 10 HG11 ILE 10 47.331 7.528 -2.480
79 HG21 ILE 10 HG21 ILE 10 47.730 10.363 -4.587
80 HG22 ILE 10 HG22 ILE 10 47.321 11.215 -3.078
81 HG23 ILE 10 HG23 ILE 10 46.434 9.747 -3.538
82 HD11 ILE 10 HD1 ILE 10 48.540 8.244 -5.176
83 HD12 ILE 10 HD2 ILE 10 46.866 7.800 -4.782
84 HD13 ILE 10 HD3 ILE 10 48.137 6.557 -4.790
85 H HIS 11 HN HIS 11 49.034 11.893 -2.050
86 HA HIS 11 HA HIS 11 50.388 13.739 -3.962
87 HB2 HIS 11 HB2 HIS 11 48.155 13.282 -4.957
88 HB3 HIS 11 HB1 HIS 11 47.385 13.777 -3.430
89 HD1 HIS 11 HD1 HIS 11 46.399 16.041 -3.804
90 HD2 HIS 11 HD2 HIS 11 50.187 15.661 -5.588
91 HE1 HIS 11 HE1 HIS 11 47.031 18.330 -4.744
92 H GLY 12 HN GLY 12 49.588 12.743 -0.938
93 HA2 GLY 12 HA1 GLY 12 50.327 13.817 1.051
94 HA3 GLY 12 HA2 GLY 12 50.316 15.388 0.227
95 H GLY 13 HN GLY 13 48.211 12.800 1.498
96 HA2 GLY 13 HA1 GLY 13 46.030 12.901 2.288
97 HA3 GLY 13 HA2 GLY 13 46.581 14.394 3.072
98 H ARG 14 HN ARG 14 45.192 13.054 0.073
99 HA ARG 14 HA ARG 14 43.460 15.441 -0.148
100 HB2 ARG 14 HB2 ARG 14 45.814 15.785 -1.352
101 HB3 ARG 14 HB1 ARG 14 45.090 14.770 -2.615
102 HG2 ARG 14 HG2 ARG 14 43.998 17.404 -1.522
103 HG3 ARG 14 HG1 ARG 14 44.670 17.118 -3.143
104 HD2 ARG 14 HD2 ARG 14 42.073 16.054 -1.974
105 HD3 ARG 14 HD1 ARG 14 42.295 17.073 -3.413
106 HE ARG 14 HE ARG 14 43.653 14.507 -3.666
107 HH11 ARG 14 HH11 ARG 14 40.785 13.871 -2.932
108 HH12 ARG 14 HH12 ARG 14 40.040 13.792 -4.494
109 HH21 ARG 14 HH21 ARG 14 42.645 15.409 -6.112
110 HH22 ARG 14 HH22 ARG 14 41.093 14.662 -6.294
111 H PHE 15 HN PHE 15 44.710 12.642 -2.034
112 HA PHE 15 HA PHE 15 42.307 12.114 -3.439
113 HB2 PHE 15 HB2 PHE 15 44.518 11.085 -3.935
114 HB3 PHE 15 HB1 PHE 15 44.357 10.090 -2.467
115 HD1 PHE 15 HD1 PHE 15 43.104 10.683 -5.898
116 HD2 PHE 15 HD2 PHE 15 42.681 8.296 -2.328
117 HE1 PHE 15 HE1 PHE 15 41.740 9.028 -7.166
118 HE2 PHE 15 HE2 PHE 15 41.316 6.640 -3.595
119 HZ PHE 15 HZ PHE 15 40.832 7.016 -6.011
120 H ILE 16 HN ILE 16 43.117 11.570 -0.091
121 HA ILE 16 HA ILE 16 41.275 9.412 0.393
122 HB ILE 16 HB ILE 16 42.028 11.539 2.439
123 HG12 ILE 16 HG12 ILE 16 43.638 9.141 1.451
124 HG13 ILE 16 HG11 ILE 16 44.087 10.854 1.291
125 HG21 ILE 16 HG21 ILE 16 41.697 9.760 4.027
126 HG22 ILE 16 HG22 ILE 16 41.635 8.533 2.740
127 HG23 ILE 16 HG23 ILE 16 40.304 9.700 2.924
128 HD11 ILE 16 HD1 ILE 16 43.965 9.154 3.803
129 HD12 ILE 16 HD2 ILE 16 43.901 10.931 3.895
130 HD13 ILE 16 HD3 ILE 16 45.318 10.126 3.181
131 H HIS 17 HN HIS 17 40.865 12.741 1.728
132 HA HIS 17 HA HIS 17 38.183 12.942 0.508
133 HB2 HIS 17 HB2 HIS 17 37.831 11.493 2.541
134 HB3 HIS 17 HB1 HIS 17 38.460 12.826 3.540
135 HD1 HIS 17 HD1 HIS 17 35.805 12.403 0.773
136 HD2 HIS 17 HD2 HIS 17 36.452 14.536 4.339
137 HE1 HIS 17 HE1 HIS 17 33.684 13.744 1.254
138 H GLY 18 HN GLY 18 40.689 14.376 0.381
139 HA2 GLY 18 HA1 GLY 18 41.193 16.654 0.230
140 HA3 GLY 18 HA2 GLY 18 39.677 17.036 1.033
141 H MET 19 HN MET 19 42.804 15.584 1.547
142 HA MET 19 HA MET 19 43.981 15.460 3.487
143 HB2 MET 19 HB2 MET 19 44.296 17.811 2.425
144 HB3 MET 19 HB1 MET 19 43.498 18.346 3.919
145 HG2 MET 19 HG2 MET 19 45.255 17.282 5.275
146 HG3 MET 19 HG1 MET 19 46.017 16.618 3.812
147 HE1 MET 19 HE1 MET 19 48.431 17.755 4.126
148 HE2 MET 19 HE2 MET 19 47.667 17.924 5.724
149 HE3 MET 19 HE3 MET 19 48.534 19.302 5.002
150 H ILE 20 HN ILE 20 40.984 15.257 3.865
151 HA ILE 20 HA ILE 20 39.567 15.145 5.703
152 HB ILE 20 HB ILE 20 42.238 14.828 7.172
153 HG12 ILE 20 HG12 ILE 20 41.507 12.500 7.395
154 HG13 ILE 20 HG11 ILE 20 39.946 12.887 6.637
155 HG21 ILE 20 HG21 ILE 20 40.662 14.015 9.084
156 HG22 ILE 20 HG22 ILE 20 39.399 14.949 8.249
157 HG23 ILE 20 HG23 ILE 20 40.857 15.767 8.860
158 HD11 ILE 20 HD1 ILE 20 42.545 13.455 5.169
159 HD12 ILE 20 HD2 ILE 20 40.914 13.199 4.502
160 HD13 ILE 20 HD3 ILE 20 41.834 11.826 5.156
161 H GLN 21 HN GLN 21 41.780 17.485 4.925
162 HA GLN 21 HA GLN 21 40.442 19.525 6.730
163 HB2 GLN 21 HB2 GLN 21 42.753 18.892 7.539
164 HB3 GLN 21 HB1 GLN 21 43.391 19.509 5.996
165 HG2 GLN 21 HG2 GLN 21 42.412 21.727 6.457
166 HG3 GLN 21 HG1 GLN 21 41.726 21.118 7.983
167 HE21 GLN 21 HE21 GLN 21 44.983 20.947 6.350
168 HE22 GLN 21 HE22 GLN 21 45.876 21.421 7.798
169 H ASN 22 HN ASN 22 41.729 18.603 3.535
170 HA ASN 22 HA ASN 22 41.485 21.398 2.553
171 HB2 ASN 22 HB2 ASN 22 43.208 19.769 1.646
172 HB3 ASN 22 HB1 ASN 22 41.864 18.811 0.980
173 HD21 ASN 22 HD21 ASN 22 44.117 20.673 -0.247
174 HD22 ASN 22 HD22 ASN 22 43.193 21.666 -1.379
175 H HIS 23 HN HIS 23 39.919 18.268 2.620
176 HA HIS 23 HA HIS 23 37.700 17.668 2.157
177 HB2 HIS 23 HB2 HIS 23 37.006 20.627 2.191
178 HB3 HIS 23 HB1 HIS 23 35.950 19.245 2.563
179 HD1 HIS 23 HD1 HIS 23 37.129 21.802 4.427
180 HD2 HIS 23 HD2 HIS 23 38.028 17.703 4.682
181 HE1 HIS 23 HE1 HIS 23 37.910 21.341 6.816
182 H HIS 24 HN HIS 24 35.718 18.338 0.617
183 HA HIS 24 HA HIS 24 36.811 18.141 -2.056
184 HB2 HIS 24 HB2 HIS 24 34.422 18.246 -2.756
185 HB3 HIS 24 HB1 HIS 24 34.701 17.057 -1.462
186 HD1 HIS 24 HD1 HIS 24 35.038 19.949 0.416
187 HD2 HIS 24 HD2 HIS 24 31.696 18.283 -1.519
188 HE1 HIS 24 HE1 HIS 24 32.953 20.867 1.573
Start of MODEL 95
1 H1 PHE 1 HT1 PHE 1 57.707 7.066 -13.705
2 H2 PHE 1 HT2 PHE 1 57.383 5.403 -13.831
3 H3 PHE 1 HT3 PHE 1 58.767 5.942 -13.008
4 HA PHE 1 HA PHE 1 56.926 7.241 -11.656
5 HB2 PHE 1 HB2 PHE 1 55.670 4.586 -12.453
6 HB3 PHE 1 HB1 PHE 1 55.014 5.765 -11.292
7 HD1 PHE 1 HD1 PHE 1 55.618 5.016 -14.860
8 HD2 PHE 1 HD2 PHE 1 54.118 7.933 -12.054
9 HE1 PHE 1 HE1 PHE 1 54.523 6.250 -16.728
10 HE2 PHE 1 HE2 PHE 1 53.023 9.167 -13.922
11 HZ PHE 1 HZ PHE 1 53.204 8.310 -16.256
12 H LEU 2 HN LEU 2 57.577 6.989 -9.619
13 HA LEU 2 HA LEU 2 59.486 4.911 -8.963
14 HB2 LEU 2 HB2 LEU 2 58.032 7.045 -7.361
15 HB3 LEU 2 HB1 LEU 2 59.110 5.867 -6.577
16 HG LEU 2 HG LEU 2 60.972 6.575 -8.039
17 HD11 LEU 2 HD11 LEU 2 58.817 8.356 -9.239
18 HD12 LEU 2 HD12 LEU 2 59.946 7.259 -10.071
19 HD13 LEU 2 HD13 LEU 2 60.541 8.779 -9.365
20 HD21 LEU 2 HD21 LEU 2 60.578 7.733 -5.874
21 HD22 LEU 2 HD22 LEU 2 59.543 8.920 -6.704
22 HD23 LEU 2 HD23 LEU 2 61.281 8.835 -7.082
23 H GLY 3 HN GLY 3 59.144 3.694 -6.772
24 HA2 GLY 3 HA1 GLY 3 56.946 1.851 -7.249
25 HA3 GLY 3 HA2 GLY 3 58.117 1.791 -5.918
26 H ALA 4 HN ALA 4 56.031 4.541 -6.741
27 HA ALA 4 HA ALA 4 54.432 5.632 -5.466
28 HB1 ALA 4 HB1 ALA 4 52.686 4.293 -4.520
29 HB2 ALA 4 HB2 ALA 4 53.765 2.885 -4.369
30 HB3 ALA 4 HB3 ALA 4 53.256 3.450 -5.979
31 H LEU 5 HN LEU 5 53.365 4.946 -2.896
32 HA LEU 5 HA LEU 5 53.841 5.409 -0.674
33 HB2 LEU 5 HB2 LEU 5 56.541 4.096 -1.128
34 HB3 LEU 5 HB1 LEU 5 55.557 4.126 0.355
35 HG LEU 5 HG LEU 5 54.877 2.685 -2.247
36 HD11 LEU 5 HD11 LEU 5 56.645 1.670 -0.742
37 HD12 LEU 5 HD12 LEU 5 55.197 0.656 -0.953
38 HD13 LEU 5 HD13 LEU 5 55.419 1.590 0.546
39 HD21 LEU 5 HD21 LEU 5 52.977 1.757 -0.741
40 HD22 LEU 5 HD22 LEU 5 52.787 3.416 -1.349
41 HD23 LEU 5 HD23 LEU 5 53.314 3.138 0.329
42 H ILE 6 HN ILE 6 54.821 7.207 -2.934
43 HA ILE 6 HA ILE 6 56.339 9.037 -1.132
44 HB ILE 6 HB ILE 6 57.943 7.461 -2.618
45 HG12 ILE 6 HG12 ILE 6 58.315 10.489 -2.439
46 HG13 ILE 6 HG11 ILE 6 58.704 9.304 -1.177
47 HG21 ILE 6 HG21 ILE 6 58.287 7.971 -4.853
48 HG22 ILE 6 HG22 ILE 6 57.759 9.656 -4.683
49 HG23 ILE 6 HG23 ILE 6 56.555 8.348 -4.751
50 HD11 ILE 6 HD1 ILE 6 60.764 9.770 -2.318
51 HD12 ILE 6 HD2 ILE 6 59.997 9.599 -3.915
52 HD13 ILE 6 HD3 ILE 6 60.234 8.169 -2.881
53 H LYS 7 HN LYS 7 57.036 10.780 -3.493
54 HA LYS 7 HA LYS 7 55.942 12.691 -4.251
55 HB2 LYS 7 HB2 LYS 7 53.661 10.710 -4.777
56 HB3 LYS 7 HB1 LYS 7 53.658 12.407 -5.309
57 HG2 LYS 7 HG2 LYS 7 55.539 12.052 -6.764
58 HG3 LYS 7 HG1 LYS 7 55.862 10.448 -6.064
59 HD2 LYS 7 HD2 LYS 7 54.730 10.195 -8.230
60 HD3 LYS 7 HD1 LYS 7 53.656 9.652 -6.921
61 HE2 LYS 7 HE2 LYS 7 52.301 11.595 -7.063
62 HE3 LYS 7 HE1 LYS 7 53.540 12.508 -7.960
63 HZ1 LYS 7 HZ1 LYS 7 53.153 10.441 -9.595
64 HZ2 LYS 7 HZ2 LYS 7 52.285 11.897 -9.706
65 HZ3 LYS 7 HZ3 LYS 7 51.603 10.557 -8.916
66 H GLY 8 HN GLY 8 56.089 11.464 -1.843
67 HA2 GLY 8 HA1 GLY 8 55.360 11.205 0.236
68 HA3 GLY 8 HA2 GLY 8 55.147 12.997 0.145
69 H ALA 9 HN ALA 9 53.563 9.916 -0.634
70 HA ALA 9 HA ALA 9 51.415 9.180 -0.275
71 HB1 ALA 9 HB1 ALA 9 51.656 10.647 1.879
72 HB2 ALA 9 HB2 ALA 9 50.028 10.172 1.341
73 HB3 ALA 9 HB3 ALA 9 50.630 11.812 1.011
74 H ILE 10 HN ILE 10 51.583 9.442 -2.623
75 HA ILE 10 HA ILE 10 51.001 10.409 -4.661
76 HB ILE 10 HB ILE 10 48.458 10.588 -4.926
77 HG12 ILE 10 HG12 ILE 10 48.184 11.065 -2.353
78 HG13 ILE 10 HG11 ILE 10 46.986 10.068 -3.174
79 HG21 ILE 10 HG21 ILE 10 49.398 8.565 -5.628
80 HG22 ILE 10 HG22 ILE 10 48.201 8.026 -4.431
81 HG23 ILE 10 HG23 ILE 10 49.926 8.107 -3.996
82 HD11 ILE 10 HD1 ILE 10 47.996 9.274 -0.851
83 HD12 ILE 10 HD2 ILE 10 49.339 8.694 -1.851
84 HD13 ILE 10 HD3 ILE 10 47.699 8.089 -2.140
85 H HIS 11 HN HIS 11 48.198 12.156 -4.091
86 HA HIS 11 HA HIS 11 49.653 14.665 -4.606
87 HB2 HIS 11 HB2 HIS 11 47.462 14.124 -5.687
88 HB3 HIS 11 HB1 HIS 11 46.686 14.225 -4.087
89 HD1 HIS 11 HD1 HIS 11 45.353 16.364 -4.309
90 HD2 HIS 11 HD2 HIS 11 49.337 16.814 -5.572
91 HE1 HIS 11 HE1 HIS 11 45.756 18.858 -4.693
92 H GLY 12 HN GLY 12 50.302 13.417 -2.097
93 HA2 GLY 12 HA1 GLY 12 50.704 14.190 0.057
94 HA3 GLY 12 HA2 GLY 12 49.916 15.721 -0.376
95 H GLY 13 HN GLY 13 48.427 12.537 -0.712
96 HA2 GLY 13 HA1 GLY 13 46.683 11.548 0.459
97 HA3 GLY 13 HA2 GLY 13 47.009 12.651 1.813
98 H ARG 14 HN ARG 14 46.116 13.283 -1.600
99 HA ARG 14 HA ARG 14 43.485 14.363 -0.679
100 HB2 ARG 14 HB2 ARG 14 45.612 15.926 -2.191
101 HB3 ARG 14 HB1 ARG 14 43.901 16.401 -2.159
102 HG2 ARG 14 HG2 ARG 14 45.643 16.021 0.321
103 HG3 ARG 14 HG1 ARG 14 45.282 17.586 -0.431
104 HD2 ARG 14 HD2 ARG 14 42.736 16.731 -0.139
105 HD3 ARG 14 HD1 ARG 14 43.476 15.785 1.175
106 HE ARG 14 HE ARG 14 43.759 17.799 2.369
107 HH11 ARG 14 HH11 ARG 14 41.452 18.927 0.813
108 HH12 ARG 14 HH12 ARG 14 42.118 20.403 0.200
109 HH21 ARG 14 HH21 ARG 14 45.406 19.480 0.806
110 HH22 ARG 14 HH22 ARG 14 44.357 20.717 0.196
111 H PHE 15 HN PHE 15 45.425 12.665 -2.917
112 HA PHE 15 HA PHE 15 43.682 13.089 -5.243
113 HB2 PHE 15 HB2 PHE 15 46.155 12.220 -5.211
114 HB3 PHE 15 HB1 PHE 15 45.442 10.643 -4.825
115 HD1 PHE 15 HD1 PHE 15 45.692 13.328 -7.375
116 HD2 PHE 15 HD2 PHE 15 44.104 9.420 -6.460
117 HE1 PHE 15 HE1 PHE 15 45.154 12.982 -9.783
118 HE2 PHE 15 HE2 PHE 15 43.565 9.076 -8.868
119 HZ PHE 15 HZ PHE 15 44.083 10.859 -10.528
120 H ILE 16 HN ILE 16 44.044 10.788 -2.617
121 HA ILE 16 HA ILE 16 41.247 10.025 -2.754
122 HB ILE 16 HB ILE 16 42.025 8.544 -4.534
123 HG12 ILE 16 HG12 ILE 16 41.708 6.952 -1.947
124 HG13 ILE 16 HG11 ILE 16 40.370 7.703 -2.845
125 HG21 ILE 16 HG21 ILE 16 43.917 7.168 -4.448
126 HG22 ILE 16 HG22 ILE 16 43.948 7.115 -2.674
127 HG23 ILE 16 HG23 ILE 16 44.489 8.578 -3.530
128 HD11 ILE 16 HD1 ILE 16 42.264 5.535 -3.844
129 HD12 ILE 16 HD2 ILE 16 41.091 6.386 -4.878
130 HD13 ILE 16 HD3 ILE 16 40.520 5.377 -3.527
131 H HIS 17 HN HIS 17 41.569 11.051 -0.720
132 HA HIS 17 HA HIS 17 42.168 9.108 1.389
133 HB2 HIS 17 HB2 HIS 17 44.459 9.998 0.753
134 HB3 HIS 17 HB1 HIS 17 43.897 11.609 1.258
135 HD1 HIS 17 HD1 HIS 17 42.517 8.757 3.207
136 HD2 HIS 17 HD2 HIS 17 45.838 11.326 3.453
137 HE1 HIS 17 HE1 HIS 17 43.461 8.557 5.573
138 H GLY 18 HN GLY 18 41.936 12.642 0.668
139 HA2 GLY 18 HA1 GLY 18 40.584 13.290 3.125
140 HA3 GLY 18 HA2 GLY 18 40.512 14.231 1.609
141 H MET 19 HN MET 19 39.394 12.999 -0.174
142 HA MET 19 HA MET 19 37.537 11.108 0.036
143 HB2 MET 19 HB2 MET 19 36.501 13.342 1.602
144 HB3 MET 19 HB1 MET 19 35.414 12.982 0.247
145 HG2 MET 19 HG2 MET 19 35.201 10.668 0.958
146 HG3 MET 19 HG1 MET 19 36.450 10.887 2.206
147 HE1 MET 19 HE1 MET 19 34.842 9.895 4.000
148 HE2 MET 19 HE2 MET 19 33.639 9.656 2.710
149 HE3 MET 19 HE3 MET 19 33.161 10.428 4.241
150 H ILE 20 HN ILE 20 38.498 10.953 -1.932
151 HA ILE 20 HA ILE 20 38.521 11.259 -4.232
152 HB ILE 20 HB ILE 20 35.941 12.878 -4.050
153 HG12 ILE 20 HG12 ILE 20 36.279 9.847 -3.830
154 HG13 ILE 20 HG11 ILE 20 35.556 10.928 -2.619
155 HG21 ILE 20 HG21 ILE 20 37.264 12.453 -6.246
156 HG22 ILE 20 HG22 ILE 20 35.538 12.038 -6.252
157 HG23 ILE 20 HG23 ILE 20 36.762 10.757 -6.081
158 HD11 ILE 20 HD1 ILE 20 34.457 10.140 -5.336
159 HD12 ILE 20 HD2 ILE 20 33.863 11.580 -4.473
160 HD13 ILE 20 HD3 ILE 20 33.694 9.968 -3.738
161 H GLN 21 HN GLN 21 39.204 13.121 -1.991
162 HA GLN 21 HA GLN 21 40.730 14.983 -2.103
163 HB2 GLN 21 HB2 GLN 21 40.512 14.981 -4.727
164 HB3 GLN 21 HB1 GLN 21 39.198 16.153 -4.469
165 HG2 GLN 21 HG2 GLN 21 40.870 17.478 -3.021
166 HG3 GLN 21 HG1 GLN 21 42.128 16.425 -3.708
167 HE21 GLN 21 HE21 GLN 21 42.826 18.737 -4.540
168 HE22 GLN 21 HE22 GLN 21 42.162 19.199 -6.111
169 H ASN 22 HN ASN 22 38.281 14.237 -0.915
170 HA ASN 22 HA ASN 22 36.437 15.088 0.172
171 HB2 ASN 22 HB2 ASN 22 38.195 15.810 1.616
172 HB3 ASN 22 HB1 ASN 22 38.474 17.277 0.630
173 HD21 ASN 22 HD21 ASN 22 35.284 15.838 1.529
174 HD22 ASN 22 HD22 ASN 22 34.747 17.238 2.461
175 H HIS 23 HN HIS 23 36.104 15.239 -2.399
176 HA HIS 23 HA HIS 23 35.389 17.972 -3.243
177 HB2 HIS 23 HB2 HIS 23 36.141 16.204 -4.834
178 HB3 HIS 23 HB1 HIS 23 34.659 15.286 -4.475
179 HD1 HIS 23 HD1 HIS 23 32.960 15.621 -6.258
180 HD2 HIS 23 HD2 HIS 23 35.210 19.108 -5.563
181 HE1 HIS 23 HE1 HIS 23 32.041 17.441 -7.798
182 H HIS 24 HN HIS 24 34.022 15.852 -1.081
183 HA HIS 24 HA HIS 24 31.517 17.327 -1.048
184 HB2 HIS 24 HB2 HIS 24 31.060 15.788 -2.945
185 HB3 HIS 24 HB1 HIS 24 31.400 14.401 -1.882
186 HD1 HIS 24 HD1 HIS 24 29.436 13.456 -0.670
187 HD2 HIS 24 HD2 HIS 24 28.821 17.462 -1.797
188 HE1 HIS 24 HE1 HIS 24 27.052 14.079 0.007
Start of MODEL 96
1 H1 PHE 1 HT1 PHE 1 50.502 0.270 -6.253
2 H2 PHE 1 HT2 PHE 1 50.169 1.632 -7.213
3 H3 PHE 1 HT3 PHE 1 48.984 1.017 -6.162
4 HA PHE 1 HA PHE 1 49.714 2.763 -4.964
5 HB2 PHE 1 HB2 PHE 1 51.665 0.543 -4.229
6 HB3 PHE 1 HB1 PHE 1 51.144 1.885 -3.181
7 HD1 PHE 1 HD1 PHE 1 48.831 1.992 -2.314
8 HD2 PHE 1 HD2 PHE 1 50.177 -1.328 -4.720
9 HE1 PHE 1 HE1 PHE 1 46.839 0.672 -1.607
10 HE2 PHE 1 HE2 PHE 1 48.186 -2.649 -4.013
11 HZ PHE 1 HZ PHE 1 46.559 -1.676 -2.394
12 H LEU 2 HN LEU 2 51.123 2.644 -7.628
13 HA LEU 2 HA LEU 2 52.963 3.627 -8.647
14 HB2 LEU 2 HB2 LEU 2 52.618 5.304 -6.143
15 HB3 LEU 2 HB1 LEU 2 53.872 5.687 -7.338
16 HG LEU 2 HG LEU 2 51.640 6.925 -7.587
17 HD11 LEU 2 HD11 LEU 2 53.406 6.503 -9.454
18 HD12 LEU 2 HD12 LEU 2 51.773 6.996 -9.947
19 HD13 LEU 2 HD13 LEU 2 52.261 5.295 -10.080
20 HD21 LEU 2 HD21 LEU 2 50.669 4.262 -8.714
21 HD22 LEU 2 HD22 LEU 2 49.744 5.770 -8.524
22 HD23 LEU 2 HD23 LEU 2 50.256 4.854 -7.087
23 H GLY 3 HN GLY 3 53.287 1.495 -6.369
24 HA2 GLY 3 HA1 GLY 3 55.120 0.250 -5.684
25 HA3 GLY 3 HA2 GLY 3 56.163 1.304 -6.659
26 H ALA 4 HN ALA 4 56.823 3.370 -5.764
27 HA ALA 4 HA ALA 4 57.516 3.069 -2.928
28 HB1 ALA 4 HB1 ALA 4 58.019 5.322 -4.906
29 HB2 ALA 4 HB2 ALA 4 59.128 3.981 -4.528
30 HB3 ALA 4 HB3 ALA 4 58.736 5.190 -3.283
31 H LEU 5 HN LEU 5 56.669 4.074 -1.197
32 HA LEU 5 HA LEU 5 54.093 5.436 -1.546
33 HB2 LEU 5 HB2 LEU 5 55.684 5.203 1.031
34 HB3 LEU 5 HB1 LEU 5 53.922 5.334 0.822
35 HG LEU 5 HG LEU 5 55.667 2.972 -0.009
36 HD11 LEU 5 HD11 LEU 5 53.464 3.165 2.088
37 HD12 LEU 5 HD12 LEU 5 55.201 3.278 2.458
38 HD13 LEU 5 HD13 LEU 5 54.532 1.777 1.774
39 HD21 LEU 5 HD21 LEU 5 53.324 1.928 -0.392
40 HD22 LEU 5 HD22 LEU 5 53.890 3.093 -1.610
41 HD23 LEU 5 HD23 LEU 5 52.707 3.598 -0.380
42 H ILE 6 HN ILE 6 55.167 7.146 -2.935
43 HA ILE 6 HA ILE 6 55.793 9.495 -1.140
44 HB ILE 6 HB ILE 6 57.638 10.201 -2.672
45 HG12 ILE 6 HG12 ILE 6 57.339 7.415 -3.898
46 HG13 ILE 6 HG11 ILE 6 56.845 8.924 -4.695
47 HG21 ILE 6 HG21 ILE 6 59.319 8.756 -1.771
48 HG22 ILE 6 HG22 ILE 6 58.195 7.378 -1.685
49 HG23 ILE 6 HG23 ILE 6 57.998 8.759 -0.581
50 HD11 ILE 6 HD1 ILE 6 59.645 7.994 -3.980
51 HD12 ILE 6 HD2 ILE 6 59.295 9.711 -4.299
52 HD13 ILE 6 HD3 ILE 6 59.011 8.493 -5.564
53 H LYS 7 HN LYS 7 56.535 10.941 -3.781
54 HA LYS 7 HA LYS 7 55.250 12.496 -4.947
55 HB2 LYS 7 HB2 LYS 7 53.409 10.066 -5.238
56 HB3 LYS 7 HB1 LYS 7 53.060 11.639 -5.992
57 HG2 LYS 7 HG2 LYS 7 55.122 11.545 -7.281
58 HG3 LYS 7 HG1 LYS 7 55.630 10.063 -6.434
59 HD2 LYS 7 HD2 LYS 7 53.765 8.814 -7.383
60 HD3 LYS 7 HD1 LYS 7 53.096 10.294 -8.113
61 HE2 LYS 7 HE2 LYS 7 55.856 9.176 -8.763
62 HE3 LYS 7 HE1 LYS 7 54.398 8.854 -9.732
63 HZ1 LYS 7 HZ1 LYS 7 54.161 11.172 -10.175
64 HZ2 LYS 7 HZ2 LYS 7 55.765 10.746 -10.537
65 HZ3 LYS 7 HZ3 LYS 7 55.408 11.581 -9.101
66 H GLY 8 HN GLY 8 55.364 11.765 -2.344
67 HA2 GLY 8 HA1 GLY 8 54.488 11.757 -0.302
68 HA3 GLY 8 HA2 GLY 8 54.078 13.461 -0.733
69 H ALA 9 HN ALA 9 52.966 10.143 -0.487
70 HA ALA 9 HA ALA 9 50.865 9.220 -0.332
71 HB1 ALA 9 HB1 ALA 9 49.208 10.467 0.964
72 HB2 ALA 9 HB2 ALA 9 50.122 11.974 0.715
73 HB3 ALA 9 HB3 ALA 9 50.824 10.656 1.684
74 H ILE 10 HN ILE 10 51.502 10.053 -2.867
75 HA ILE 10 HA ILE 10 50.463 10.275 -4.901
76 HB ILE 10 HB ILE 10 48.270 9.535 -3.202
77 HG12 ILE 10 HG12 ILE 10 49.058 8.416 -5.308
78 HG13 ILE 10 HG11 ILE 10 47.295 8.608 -5.210
79 HG21 ILE 10 HG21 ILE 10 47.414 11.844 -3.303
80 HG22 ILE 10 HG22 ILE 10 46.337 10.699 -4.132
81 HG23 ILE 10 HG23 ILE 10 47.390 11.770 -5.080
82 HD11 ILE 10 HD1 ILE 10 47.240 10.252 -6.884
83 HD12 ILE 10 HD2 ILE 10 48.586 9.237 -7.453
84 HD13 ILE 10 HD3 ILE 10 48.921 10.760 -6.597
85 H HIS 11 HN HIS 11 49.430 12.554 -2.383
86 HA HIS 11 HA HIS 11 50.447 14.825 -3.824
87 HB2 HIS 11 HB2 HIS 11 48.426 14.433 -5.225
88 HB3 HIS 11 HB1 HIS 11 47.411 14.538 -3.767
89 HD1 HIS 11 HD1 HIS 11 50.204 16.689 -5.338
90 HD2 HIS 11 HD2 HIS 11 46.410 17.093 -3.571
91 HE1 HIS 11 HE1 HIS 11 49.653 19.181 -5.283
92 H GLY 12 HN GLY 12 49.523 13.174 -1.194
93 HA2 GLY 12 HA1 GLY 12 50.185 14.333 0.952
94 HA3 GLY 12 HA2 GLY 12 49.070 15.635 0.488
95 H GLY 13 HN GLY 13 48.160 12.439 -0.422
96 HA2 GLY 13 HA1 GLY 13 46.440 11.073 0.299
97 HA3 GLY 13 HA2 GLY 13 46.873 11.554 1.954
98 H ARG 14 HN ARG 14 45.239 12.832 -0.975
99 HA ARG 14 HA ARG 14 42.836 13.416 0.543
100 HB2 ARG 14 HB2 ARG 14 42.891 15.802 0.625
101 HB3 ARG 14 HB1 ARG 14 44.422 15.237 1.318
102 HG2 ARG 14 HG2 ARG 14 45.088 16.983 -0.138
103 HG3 ARG 14 HG1 ARG 14 45.420 15.503 -1.062
104 HD2 ARG 14 HD2 ARG 14 43.909 16.087 -2.697
105 HD3 ARG 14 HD1 ARG 14 42.665 16.552 -1.518
106 HE ARG 14 HE ARG 14 44.722 18.541 -1.508
107 HH11 ARG 14 HH11 ARG 14 41.906 17.392 -3.094
108 HH12 ARG 14 HH12 ARG 14 41.749 18.779 -4.121
109 HH21 ARG 14 HH21 ARG 14 44.671 20.271 -3.000
110 HH22 ARG 14 HH22 ARG 14 43.315 20.408 -4.069
111 H PHE 15 HN PHE 15 44.689 13.211 -2.319
112 HA PHE 15 HA PHE 15 42.724 14.469 -4.087
113 HB2 PHE 15 HB2 PHE 15 45.172 14.188 -4.641
114 HB3 PHE 15 HB1 PHE 15 44.885 12.439 -4.782
115 HD1 PHE 15 HD1 PHE 15 44.324 11.587 -6.918
116 HD2 PHE 15 HD2 PHE 15 43.426 15.707 -5.985
117 HE1 PHE 15 HE1 PHE 15 43.498 11.935 -9.241
118 HE2 PHE 15 HE2 PHE 15 42.599 16.050 -8.309
119 HZ PHE 15 HZ PHE 15 42.676 14.176 -9.948
120 H ILE 16 HN ILE 16 43.300 11.397 -2.616
121 HA ILE 16 HA ILE 16 40.666 10.415 -3.454
122 HB ILE 16 HB ILE 16 41.661 8.191 -4.242
123 HG12 ILE 16 HG12 ILE 16 44.158 9.911 -4.600
124 HG13 ILE 16 HG11 ILE 16 43.961 8.693 -3.321
125 HG21 ILE 16 HG21 ILE 16 40.710 10.014 -5.761
126 HG22 ILE 16 HG22 ILE 16 41.883 8.923 -6.528
127 HG23 ILE 16 HG23 ILE 16 42.384 10.554 -6.025
128 HD11 ILE 16 HD1 ILE 16 43.438 7.029 -5.257
129 HD12 ILE 16 HD2 ILE 16 45.127 7.543 -5.039
130 HD13 ILE 16 HD3 ILE 16 44.138 8.271 -6.324
131 H HIS 17 HN HIS 17 41.361 11.220 -1.035
132 HA HIS 17 HA HIS 17 41.601 8.649 0.490
133 HB2 HIS 17 HB2 HIS 17 43.854 9.812 0.424
134 HB3 HIS 17 HB1 HIS 17 43.096 11.187 1.259
135 HD1 HIS 17 HD1 HIS 17 41.416 8.238 2.445
136 HD2 HIS 17 HD2 HIS 17 45.065 10.129 3.342
137 HE1 HIS 17 HE1 HIS 17 42.203 7.344 4.705
138 H GLY 18 HN GLY 18 40.484 11.947 0.077
139 HA2 GLY 18 HA1 GLY 18 39.344 12.581 2.548
140 HA3 GLY 18 HA2 GLY 18 38.564 12.926 0.977
141 H MET 19 HN MET 19 38.202 10.503 0.011
142 HA MET 19 HA MET 19 36.933 8.595 1.601
143 HB2 MET 19 HB2 MET 19 35.323 10.655 1.894
144 HB3 MET 19 HB1 MET 19 34.835 10.247 0.238
145 HG2 MET 19 HG2 MET 19 33.306 9.054 1.609
146 HG3 MET 19 HG1 MET 19 34.507 7.825 1.149
147 HE1 MET 19 HE1 MET 19 33.261 7.171 4.859
148 HE2 MET 19 HE2 MET 19 33.672 6.303 3.360
149 HE3 MET 19 HE3 MET 19 32.476 7.621 3.326
150 H ILE 20 HN ILE 20 38.530 9.532 -0.803
151 HA ILE 20 HA ILE 20 38.839 8.721 -2.949
152 HB ILE 20 HB ILE 20 36.668 6.616 -2.499
153 HG12 ILE 20 HG12 ILE 20 38.050 6.334 -0.557
154 HG13 ILE 20 HG11 ILE 20 38.578 5.098 -1.713
155 HG21 ILE 20 HG21 ILE 20 39.101 6.868 -4.307
156 HG22 ILE 20 HG22 ILE 20 37.398 6.642 -4.750
157 HG23 ILE 20 HG23 ILE 20 38.305 5.307 -4.009
158 HD11 ILE 20 HD1 ILE 20 40.427 6.709 -2.430
159 HD12 ILE 20 HD2 ILE 20 40.564 6.097 -0.770
160 HD13 ILE 20 HD3 ILE 20 39.955 7.741 -1.061
161 H GLN 21 HN GLN 21 36.129 9.839 -1.372
162 HA GLN 21 HA GLN 21 34.863 10.690 -4.010
163 HB2 GLN 21 HB2 GLN 21 33.379 9.669 -1.557
164 HB3 GLN 21 HB1 GLN 21 32.635 10.331 -3.033
165 HG2 GLN 21 HG2 GLN 21 33.744 8.534 -4.368
166 HG3 GLN 21 HG1 GLN 21 34.398 7.847 -2.861
167 HE21 GLN 21 HE21 GLN 21 31.121 9.253 -3.539
168 HE22 GLN 21 HE22 GLN 21 30.251 7.780 -3.100
169 H ASN 22 HN ASN 22 36.168 11.563 -0.952
170 HA ASN 22 HA ASN 22 34.657 14.186 -1.036
171 HB2 ASN 22 HB2 ASN 22 34.408 12.726 1.050
172 HB3 ASN 22 HB1 ASN 22 36.142 12.997 1.340
173 HD21 ASN 22 HD21 ASN 22 33.610 15.265 0.065
174 HD22 ASN 22 HD22 ASN 22 33.847 16.463 1.342
175 H HIS 23 HN HIS 23 37.593 12.508 -1.438
176 HA HIS 23 HA HIS 23 39.799 13.193 -1.611
177 HB2 HIS 23 HB2 HIS 23 38.329 15.463 -3.001
178 HB3 HIS 23 HB1 HIS 23 40.078 15.159 -3.143
179 HD1 HIS 23 HD1 HIS 23 38.876 14.927 -5.775
180 HD2 HIS 23 HD2 HIS 23 38.515 11.749 -3.046
181 HE1 HIS 23 HE1 HIS 23 38.401 12.811 -7.127
182 H HIS 24 HN HIS 24 38.794 16.563 -1.631
183 HA HIS 24 HA HIS 24 40.641 17.136 0.581
184 HB2 HIS 24 HB2 HIS 24 39.827 19.508 0.185
185 HB3 HIS 24 HB1 HIS 24 40.565 18.718 -1.229
186 HD1 HIS 24 HD1 HIS 24 37.000 18.455 0.200
187 HD2 HIS 24 HD2 HIS 24 38.986 19.558 -3.340
188 HE1 HIS 24 HE1 HIS 24 35.210 18.942 -1.558
Start of MODEL 97
1 H1 PHE 1 HT1 PHE 1 62.723 1.205 -2.544
2 H2 PHE 1 HT2 PHE 1 64.191 1.996 -2.870
3 H3 PHE 1 HT3 PHE 1 64.156 0.309 -2.674
4 HA PHE 1 HA PHE 1 64.155 1.540 -5.014
5 HB2 PHE 1 HB2 PHE 1 62.835 -1.097 -4.257
6 HB3 PHE 1 HB1 PHE 1 63.293 -0.625 -5.911
7 HD1 PHE 1 HD1 PHE 1 65.645 -0.470 -6.583
8 HD2 PHE 1 HD2 PHE 1 64.547 -1.583 -2.558
9 HE1 PHE 1 HE1 PHE 1 67.975 -1.245 -6.160
10 HE2 PHE 1 HE2 PHE 1 66.877 -2.358 -2.137
11 HZ PHE 1 HZ PHE 1 68.570 -2.262 -3.963
12 H LEU 2 HN LEU 2 61.667 1.998 -2.912
13 HA LEU 2 HA LEU 2 59.331 1.713 -4.536
14 HB2 LEU 2 HB2 LEU 2 60.050 3.511 -2.194
15 HB3 LEU 2 HB1 LEU 2 58.456 3.600 -2.979
16 HG LEU 2 HG LEU 2 58.117 1.174 -2.552
17 HD11 LEU 2 HD11 LEU 2 60.893 1.442 -1.336
18 HD12 LEU 2 HD12 LEU 2 60.301 0.239 -2.506
19 HD13 LEU 2 HD13 LEU 2 59.774 0.160 -0.812
20 HD21 LEU 2 HD21 LEU 2 58.905 2.794 -0.086
21 HD22 LEU 2 HD22 LEU 2 57.846 1.363 -0.090
22 HD23 LEU 2 HD23 LEU 2 57.329 2.856 -0.912
23 H GLY 3 HN GLY 3 60.271 4.966 -3.526
24 HA2 GLY 3 HA1 GLY 3 60.509 6.921 -4.738
25 HA3 GLY 3 HA2 GLY 3 61.050 5.932 -6.108
26 H ALA 4 HN ALA 4 57.918 5.906 -4.389
27 HA ALA 4 HA ALA 4 56.563 7.349 -6.537
28 HB1 ALA 4 HB1 ALA 4 56.225 4.340 -6.302
29 HB2 ALA 4 HB2 ALA 4 56.817 5.251 -7.712
30 HB3 ALA 4 HB3 ALA 4 55.120 5.410 -7.197
31 H LEU 5 HN LEU 5 55.925 4.742 -4.135
32 HA LEU 5 HA LEU 5 53.445 6.040 -3.280
33 HB2 LEU 5 HB2 LEU 5 54.931 3.867 -1.768
34 HB3 LEU 5 HB1 LEU 5 53.180 4.181 -1.835
35 HG LEU 5 HG LEU 5 54.938 3.170 -4.115
36 HD11 LEU 5 HD11 LEU 5 53.646 1.120 -3.895
37 HD12 LEU 5 HD12 LEU 5 52.590 1.864 -2.671
38 HD13 LEU 5 HD13 LEU 5 54.299 1.537 -2.294
39 HD21 LEU 5 HD21 LEU 5 52.016 4.031 -3.998
40 HD22 LEU 5 HD22 LEU 5 52.631 2.929 -5.255
41 HD23 LEU 5 HD23 LEU 5 53.282 4.579 -5.124
42 H ILE 6 HN ILE 6 55.765 7.745 -3.119
43 HA ILE 6 HA ILE 6 55.434 8.597 -0.284
44 HB ILE 6 HB ILE 6 57.945 8.714 0.077
45 HG12 ILE 6 HG12 ILE 6 58.028 6.886 -2.370
46 HG13 ILE 6 HG11 ILE 6 58.609 8.567 -2.317
47 HG21 ILE 6 HG21 ILE 6 57.083 5.837 -0.429
48 HG22 ILE 6 HG22 ILE 6 56.421 6.808 0.907
49 HG23 ILE 6 HG23 ILE 6 58.162 6.456 0.843
50 HD11 ILE 6 HD1 ILE 6 60.113 7.783 -0.345
51 HD12 ILE 6 HD2 ILE 6 60.565 7.261 -1.984
52 HD13 ILE 6 HD3 ILE 6 59.733 6.132 -0.892
53 H LYS 7 HN LYS 7 54.748 9.526 -2.926
54 HA LYS 7 HA LYS 7 56.372 12.047 -3.015
55 HB2 LYS 7 HB2 LYS 7 53.861 11.160 -4.539
56 HB3 LYS 7 HB1 LYS 7 54.649 12.745 -4.733
57 HG2 LYS 7 HG2 LYS 7 56.795 11.433 -5.311
58 HG3 LYS 7 HG1 LYS 7 55.749 9.999 -5.447
59 HD2 LYS 7 HD2 LYS 7 55.407 12.599 -7.009
60 HD3 LYS 7 HD1 LYS 7 56.080 11.084 -7.655
61 HE2 LYS 7 HE2 LYS 7 53.843 9.992 -6.901
62 HE3 LYS 7 HE1 LYS 7 53.235 11.660 -6.760
63 HZ1 LYS 7 HZ1 LYS 7 54.584 11.457 -9.191
64 HZ2 LYS 7 HZ2 LYS 7 52.917 11.659 -8.935
65 HZ3 LYS 7 HZ3 LYS 7 53.573 10.099 -9.080
66 H GLY 8 HN GLY 8 55.248 10.721 -0.941
67 HA2 GLY 8 HA1 GLY 8 54.197 10.740 0.911
68 HA3 GLY 8 HA2 GLY 8 54.095 12.543 0.770
69 H ALA 9 HN ALA 9 52.565 9.465 0.183
70 HA ALA 9 HA ALA 9 50.441 8.851 -0.450
71 HB1 ALA 9 HB1 ALA 9 49.695 11.170 1.361
72 HB2 ALA 9 HB2 ALA 9 50.212 9.567 1.936
73 HB3 ALA 9 HB3 ALA 9 48.711 9.735 0.993
74 H ILE 10 HN ILE 10 51.594 10.407 -2.399
75 HA ILE 10 HA ILE 10 51.181 12.012 -4.046
76 HB ILE 10 HB ILE 10 48.715 11.529 -5.056
77 HG12 ILE 10 HG12 ILE 10 49.244 9.130 -3.232
78 HG13 ILE 10 HG11 ILE 10 47.956 10.329 -2.997
79 HG21 ILE 10 HG21 ILE 10 50.867 9.364 -5.035
80 HG22 ILE 10 HG22 ILE 10 50.945 10.837 -6.031
81 HG23 ILE 10 HG23 ILE 10 49.649 9.654 -6.298
82 HD11 ILE 10 HD1 ILE 10 47.277 9.687 -5.477
83 HD12 ILE 10 HD2 ILE 10 46.812 8.620 -4.131
84 HD13 ILE 10 HD3 ILE 10 48.215 8.210 -5.142
85 H HIS 11 HN HIS 11 47.743 12.006 -3.319
86 HA HIS 11 HA HIS 11 47.514 14.798 -3.355
87 HB2 HIS 11 HB2 HIS 11 45.770 12.984 -1.659
88 HB3 HIS 11 HB1 HIS 11 45.328 14.518 -2.450
89 HD1 HIS 11 HD1 HIS 11 45.061 10.951 -2.909
90 HD2 HIS 11 HD2 HIS 11 45.779 14.201 -5.482
91 HE1 HIS 11 HE1 HIS 11 44.513 10.178 -5.282
92 H GLY 12 HN GLY 12 49.168 12.937 -1.023
93 HA2 GLY 12 HA1 GLY 12 48.451 14.417 1.344
94 HA3 GLY 12 HA2 GLY 12 49.955 13.513 1.095
95 H GLY 13 HN GLY 13 49.709 15.500 -1.484
96 HA2 GLY 13 HA1 GLY 13 50.590 18.015 -0.275
97 HA3 GLY 13 HA2 GLY 13 51.895 17.094 -1.054
98 H ARG 14 HN ARG 14 50.058 15.905 -3.043
99 HA ARG 14 HA ARG 14 50.375 17.876 -5.091
100 HB2 ARG 14 HB2 ARG 14 49.967 15.208 -5.103
101 HB3 ARG 14 HB1 ARG 14 48.290 15.707 -5.391
102 HG2 ARG 14 HG2 ARG 14 50.737 16.459 -7.056
103 HG3 ARG 14 HG1 ARG 14 49.414 15.373 -7.537
104 HD2 ARG 14 HD2 ARG 14 49.353 18.385 -7.163
105 HD3 ARG 14 HD1 ARG 14 48.887 17.432 -8.588
106 HE ARG 14 HE ARG 14 47.255 16.912 -6.191
107 HH11 ARG 14 HH11 ARG 14 45.412 16.399 -7.921
108 HH12 ARG 14 HH12 ARG 14 44.761 17.863 -8.581
109 HH21 ARG 14 HH21 ARG 14 47.421 19.827 -7.533
110 HH22 ARG 14 HH22 ARG 14 45.899 19.804 -8.360
111 H PHE 15 HN PHE 15 47.621 16.940 -3.026
112 HA PHE 15 HA PHE 15 45.483 18.223 -4.206
113 HB2 PHE 15 HB2 PHE 15 45.380 17.040 -2.037
114 HB3 PHE 15 HB1 PHE 15 46.234 18.395 -1.261
115 HD1 PHE 15 HD1 PHE 15 45.161 20.648 -1.120
116 HD2 PHE 15 HD2 PHE 15 43.037 17.210 -2.637
117 HE1 PHE 15 HE1 PHE 15 43.001 21.859 -0.840
118 HE2 PHE 15 HE2 PHE 15 40.878 18.421 -2.357
119 HZ PHE 15 HZ PHE 15 40.867 20.770 -1.524
120 H ILE 16 HN ILE 16 47.854 19.844 -2.021
121 HA ILE 16 HA ILE 16 46.753 22.449 -2.316
122 HB ILE 16 HB ILE 16 49.691 21.736 -1.913
123 HG12 ILE 16 HG12 ILE 16 47.915 20.713 -0.279
124 HG13 ILE 16 HG11 ILE 16 49.310 21.562 0.410
125 HG21 ILE 16 HG21 ILE 16 49.475 24.059 -2.474
126 HG22 ILE 16 HG22 ILE 16 49.674 23.980 -0.709
127 HG23 ILE 16 HG23 ILE 16 48.062 24.256 -1.412
128 HD11 ILE 16 HD1 ILE 16 47.993 23.528 0.885
129 HD12 ILE 16 HD2 ILE 16 47.055 22.130 1.456
130 HD13 ILE 16 HD3 ILE 16 46.621 22.924 -0.072
131 H HIS 17 HN HIS 17 50.023 21.844 -3.628
132 HA HIS 17 HA HIS 17 49.174 22.300 -6.385
133 HB2 HIS 17 HB2 HIS 17 48.920 24.601 -5.452
134 HB3 HIS 17 HB1 HIS 17 50.641 24.581 -5.006
135 HD1 HIS 17 HD1 HIS 17 48.792 23.503 -8.211
136 HD2 HIS 17 HD2 HIS 17 51.923 26.026 -6.978
137 HE1 HIS 17 HE1 HIS 17 49.830 24.514 -10.316
138 H GLY 18 HN GLY 18 50.683 20.365 -5.001
139 HA2 GLY 18 HA1 GLY 18 52.612 19.381 -6.394
140 HA3 GLY 18 HA2 GLY 18 53.492 20.862 -5.943
141 H MET 19 HN MET 19 52.689 21.291 -3.446
142 HA MET 19 HA MET 19 52.422 19.510 -1.533
143 HB2 MET 19 HB2 MET 19 53.999 17.864 -1.938
144 HB3 MET 19 HB1 MET 19 55.121 18.994 -2.700
145 HG2 MET 19 HG2 MET 19 55.998 19.713 -0.617
146 HG3 MET 19 HG1 MET 19 54.573 19.138 0.280
147 HE1 MET 19 HE1 MET 19 57.394 16.920 1.704
148 HE2 MET 19 HE2 MET 19 56.203 18.214 1.977
149 HE3 MET 19 HE3 MET 19 57.686 18.549 1.050
150 H ILE 20 HN ILE 20 51.563 21.324 -0.753
151 HA ILE 20 HA ILE 20 51.579 23.279 0.510
152 HB ILE 20 HB ILE 20 54.543 22.840 1.108
153 HG12 ILE 20 HG12 ILE 20 52.156 21.562 2.529
154 HG13 ILE 20 HG11 ILE 20 53.314 20.698 1.498
155 HG21 ILE 20 HG21 ILE 20 53.204 24.959 1.814
156 HG22 ILE 20 HG22 ILE 20 54.104 24.104 3.084
157 HG23 ILE 20 HG23 ILE 20 52.344 23.889 2.940
158 HD11 ILE 20 HD1 ILE 20 54.110 20.341 3.710
159 HD12 ILE 20 HD2 ILE 20 53.809 22.029 4.181
160 HD13 ILE 20 HD3 ILE 20 55.149 21.638 3.075
161 H GLN 21 HN GLN 21 52.376 22.743 -2.225
162 HA GLN 21 HA GLN 21 52.762 24.139 -4.077
163 HB2 GLN 21 HB2 GLN 21 54.161 26.188 -2.295
164 HB3 GLN 21 HB1 GLN 21 53.592 26.389 -3.960
165 HG2 GLN 21 HG2 GLN 21 51.219 25.872 -3.028
166 HG3 GLN 21 HG1 GLN 21 51.923 26.179 -1.425
167 HE21 GLN 21 HE21 GLN 21 53.873 28.192 -2.772
168 HE22 GLN 21 HE22 GLN 21 52.874 29.635 -2.976
169 H ASN 22 HN ASN 22 54.119 22.060 -2.852
170 HA ASN 22 HA ASN 22 56.137 20.975 -2.752
171 HB2 ASN 22 HB2 ASN 22 55.688 20.825 -5.085
172 HB3 ASN 22 HB1 ASN 22 56.375 22.448 -5.385
173 HD21 ASN 22 HD21 ASN 22 57.460 19.452 -3.606
174 HD22 ASN 22 HD22 ASN 22 59.070 19.444 -4.333
175 H HIS 23 HN HIS 23 56.318 22.591 -0.929
176 HA HIS 23 HA HIS 23 58.322 24.678 -1.197
177 HB2 HIS 23 HB2 HIS 23 56.626 24.577 0.633
178 HB3 HIS 23 HB1 HIS 23 57.468 23.156 1.297
179 HD1 HIS 23 HD1 HIS 23 59.641 23.524 2.592
180 HD2 HIS 23 HD2 HIS 23 58.224 27.019 0.733
181 HE1 HIS 23 HE1 HIS 23 61.012 25.479 3.499
182 H HIS 24 HN HIS 24 60.477 24.588 -1.208
183 HA HIS 24 HA HIS 24 61.955 22.512 0.177
184 HB2 HIS 24 HB2 HIS 24 63.014 21.589 -1.963
185 HB3 HIS 24 HB1 HIS 24 61.349 21.060 -1.623
186 HD1 HIS 24 HD1 HIS 24 61.299 24.549 -2.647
187 HD2 HIS 24 HD2 HIS 24 61.391 20.842 -4.636
188 HE1 HIS 24 HE1 HIS 24 60.578 24.963 -5.063
Start of MODEL 98
1 H1 PHE 1 HT1 PHE 1 56.205 12.193 4.594
2 H2 PHE 1 HT2 PHE 1 55.230 12.031 5.976
3 H3 PHE 1 HT3 PHE 1 54.577 11.752 4.433
4 HA PHE 1 HA PHE 1 56.877 10.177 5.245
5 HB2 PHE 1 HB2 PHE 1 54.040 9.590 6.178
6 HB3 PHE 1 HB1 PHE 1 55.490 8.598 6.470
7 HD1 PHE 1 HD1 PHE 1 53.752 11.773 7.305
8 HD2 PHE 1 HD2 PHE 1 57.172 9.264 8.108
9 HE1 PHE 1 HE1 PHE 1 54.260 13.117 9.341
10 HE2 PHE 1 HE2 PHE 1 57.680 10.608 10.143
11 HZ PHE 1 HZ PHE 1 56.211 12.521 10.773
12 H LEU 2 HN LEU 2 56.926 8.192 4.124
13 HA LEU 2 HA LEU 2 55.669 8.327 1.504
14 HB2 LEU 2 HB2 LEU 2 57.017 5.873 2.680
15 HB3 LEU 2 HB1 LEU 2 56.947 6.401 0.982
16 HG LEU 2 HG LEU 2 58.469 7.760 3.250
17 HD11 LEU 2 HD11 LEU 2 59.422 6.408 0.687
18 HD12 LEU 2 HD12 LEU 2 59.479 5.673 2.307
19 HD13 LEU 2 HD13 LEU 2 60.451 7.121 1.951
20 HD21 LEU 2 HD21 LEU 2 57.957 8.559 0.355
21 HD22 LEU 2 HD22 LEU 2 59.339 9.189 1.285
22 HD23 LEU 2 HD23 LEU 2 57.678 9.521 1.826
23 H GLY 3 HN GLY 3 53.444 8.282 1.733
24 HA2 GLY 3 HA1 GLY 3 52.106 6.283 3.341
25 HA3 GLY 3 HA2 GLY 3 51.360 7.344 2.129
26 H ALA 4 HN ALA 4 51.759 6.763 -0.186
27 HA ALA 4 HA ALA 4 51.270 3.850 -0.493
28 HB1 ALA 4 HB1 ALA 4 51.158 6.183 -2.435
29 HB2 ALA 4 HB2 ALA 4 49.781 5.375 -1.647
30 HB3 ALA 4 HB3 ALA 4 50.761 4.500 -2.849
31 H LEU 5 HN LEU 5 53.565 6.363 -1.589
32 HA LEU 5 HA LEU 5 55.706 4.412 -1.774
33 HB2 LEU 5 HB2 LEU 5 54.158 4.170 -3.929
34 HB3 LEU 5 HB1 LEU 5 55.024 5.623 -4.469
35 HG LEU 5 HG LEU 5 56.302 2.984 -3.605
36 HD11 LEU 5 HD11 LEU 5 56.840 2.694 -5.944
37 HD12 LEU 5 HD12 LEU 5 56.238 4.321 -6.342
38 HD13 LEU 5 HD13 LEU 5 55.100 3.047 -5.844
39 HD21 LEU 5 HD21 LEU 5 57.451 5.664 -4.484
40 HD22 LEU 5 HD22 LEU 5 58.379 4.151 -4.608
41 HD23 LEU 5 HD23 LEU 5 57.833 4.729 -3.019
42 H ILE 6 HN ILE 6 54.665 7.457 -3.394
43 HA ILE 6 HA ILE 6 56.441 9.111 -1.799
44 HB ILE 6 HB ILE 6 58.000 7.742 -3.485
45 HG12 ILE 6 HG12 ILE 6 58.217 10.779 -3.216
46 HG13 ILE 6 HG11 ILE 6 58.753 9.581 -2.024
47 HG21 ILE 6 HG21 ILE 6 57.561 9.988 -5.444
48 HG22 ILE 6 HG22 ILE 6 56.369 8.668 -5.451
49 HG23 ILE 6 HG23 ILE 6 58.089 8.316 -5.719
50 HD11 ILE 6 HD1 ILE 6 60.211 8.579 -3.878
51 HD12 ILE 6 HD2 ILE 6 60.704 10.179 -3.277
52 HD13 ILE 6 HD3 ILE 6 59.842 10.037 -4.826
53 H LYS 7 HN LYS 7 56.875 10.988 -4.184
54 HA LYS 7 HA LYS 7 55.685 12.907 -4.728
55 HB2 LYS 7 HB2 LYS 7 53.313 10.981 -4.990
56 HB3 LYS 7 HB1 LYS 7 53.335 12.666 -5.561
57 HG2 LYS 7 HG2 LYS 7 55.344 12.041 -6.999
58 HG3 LYS 7 HG1 LYS 7 55.026 10.343 -6.570
59 HD2 LYS 7 HD2 LYS 7 52.665 10.648 -7.430
60 HD3 LYS 7 HD1 LYS 7 53.150 12.256 -8.021
61 HE2 LYS 7 HE2 LYS 7 54.419 9.599 -8.821
62 HE3 LYS 7 HE1 LYS 7 53.330 10.582 -9.828
63 HZ1 LYS 7 HZ1 LYS 7 56.060 11.270 -8.879
64 HZ2 LYS 7 HZ2 LYS 7 54.994 12.428 -9.520
65 HZ3 LYS 7 HZ3 LYS 7 55.514 11.125 -10.478
66 H GLY 8 HN GLY 8 56.127 11.587 -2.407
67 HA2 GLY 8 HA1 GLY 8 55.664 11.247 -0.262
68 HA3 GLY 8 HA2 GLY 8 55.475 13.044 -0.258
69 H ALA 9 HN ALA 9 53.814 9.970 -0.733
70 HA ALA 9 HA ALA 9 51.705 9.259 -0.199
71 HB1 ALA 9 HB1 ALA 9 50.524 10.258 1.591
72 HB2 ALA 9 HB2 ALA 9 51.204 11.870 1.267
73 HB3 ALA 9 HB3 ALA 9 52.232 10.592 1.957
74 H ILE 10 HN ILE 10 51.535 9.609 -2.546
75 HA ILE 10 HA ILE 10 50.642 10.617 -4.436
76 HB ILE 10 HB ILE 10 48.030 11.157 -4.058
77 HG12 ILE 10 HG12 ILE 10 48.338 10.965 -1.481
78 HG13 ILE 10 HG11 ILE 10 46.980 10.127 -2.218
79 HG21 ILE 10 HG21 ILE 10 48.679 9.350 -5.446
80 HG22 ILE 10 HG22 ILE 10 47.614 8.622 -4.221
81 HG23 ILE 10 HG23 ILE 10 49.380 8.435 -4.093
82 HD11 ILE 10 HD1 ILE 10 48.410 8.830 -0.460
83 HD12 ILE 10 HD2 ILE 10 49.590 8.643 -1.769
84 HD13 ILE 10 HD3 ILE 10 47.951 7.996 -1.958
85 H HIS 11 HN HIS 11 48.402 12.505 -2.482
86 HA HIS 11 HA HIS 11 49.920 14.999 -3.280
87 HB2 HIS 11 HB2 HIS 11 46.927 14.436 -3.264
88 HB3 HIS 11 HB1 HIS 11 47.618 16.072 -3.367
89 HD1 HIS 11 HD1 HIS 11 48.943 16.714 -5.529
90 HD2 HIS 11 HD2 HIS 11 47.325 12.836 -5.603
91 HE1 HIS 11 HE1 HIS 11 49.049 15.891 -7.945
92 H GLY 12 HN GLY 12 50.373 13.599 -0.883
93 HA2 GLY 12 HA1 GLY 12 50.628 14.178 1.352
94 HA3 GLY 12 HA2 GLY 12 49.836 15.730 1.008
95 H GLY 13 HN GLY 13 48.593 12.427 0.503
96 HA2 GLY 13 HA1 GLY 13 46.714 11.387 1.361
97 HA3 GLY 13 HA2 GLY 13 47.004 12.290 2.861
98 H ARG 14 HN ARG 14 46.547 13.952 -0.184
99 HA ARG 14 HA ARG 14 43.956 15.043 0.882
100 HB2 ARG 14 HB2 ARG 14 46.118 16.403 0.010
101 HB3 ARG 14 HB1 ARG 14 45.331 16.175 -1.564
102 HG2 ARG 14 HG2 ARG 14 44.125 17.484 0.920
103 HG3 ARG 14 HG1 ARG 14 44.599 18.297 -0.588
104 HD2 ARG 14 HD2 ARG 14 42.912 16.639 -1.733
105 HD3 ARG 14 HD1 ARG 14 42.263 16.435 -0.087
106 HE ARG 14 HE ARG 14 42.556 19.238 -0.811
107 HH11 ARG 14 HH11 ARG 14 40.313 18.185 0.838
108 HH12 ARG 14 HH12 ARG 14 38.974 18.264 -0.257
109 HH21 ARG 14 HH21 ARG 14 40.962 18.578 -3.081
110 HH22 ARG 14 HH22 ARG 14 39.341 18.487 -2.476
111 H PHE 15 HN PHE 15 45.464 13.284 -1.787
112 HA PHE 15 HA PHE 15 43.448 13.419 -3.734
113 HB2 PHE 15 HB2 PHE 15 45.683 12.180 -3.851
114 HB3 PHE 15 HB1 PHE 15 44.881 10.843 -2.995
115 HD1 PHE 15 HD1 PHE 15 45.009 12.801 -6.140
116 HD2 PHE 15 HD2 PHE 15 43.125 9.518 -4.068
117 HE1 PHE 15 HE1 PHE 15 44.029 12.007 -8.290
118 HE2 PHE 15 HE2 PHE 15 42.144 8.723 -6.216
119 HZ PHE 15 HZ PHE 15 42.631 9.945 -8.334
120 H ILE 16 HN ILE 16 43.559 11.471 -0.753
121 HA ILE 16 HA ILE 16 41.199 9.929 -1.377
122 HB ILE 16 HB ILE 16 42.188 10.616 1.424
123 HG12 ILE 16 HG12 ILE 16 43.168 8.488 -0.532
124 HG13 ILE 16 HG11 ILE 16 44.107 9.871 0.079
125 HG21 ILE 16 HG21 ILE 16 41.138 8.550 2.045
126 HG22 ILE 16 HG22 ILE 16 40.925 8.063 0.347
127 HG23 ILE 16 HG23 ILE 16 39.958 9.398 1.020
128 HD11 ILE 16 HD1 ILE 16 43.592 8.907 2.450
129 HD12 ILE 16 HD2 ILE 16 44.802 8.068 1.451
130 HD13 ILE 16 HD3 ILE 16 43.154 7.412 1.585
131 H HIS 17 HN HIS 17 41.335 12.152 1.452
132 HA HIS 17 HA HIS 17 39.176 13.824 0.354
133 HB2 HIS 17 HB2 HIS 17 38.590 11.647 2.385
134 HB3 HIS 17 HB1 HIS 17 37.625 13.144 2.359
135 HD1 HIS 17 HD1 HIS 17 37.589 13.583 -0.754
136 HD2 HIS 17 HD2 HIS 17 36.787 9.916 1.145
137 HE1 HIS 17 HE1 HIS 17 36.158 12.195 -2.352
138 H GLY 18 HN GLY 18 41.894 13.859 1.668
139 HA2 GLY 18 HA1 GLY 18 42.368 16.137 2.760
140 HA3 GLY 18 HA2 GLY 18 41.266 15.583 4.046
141 H MET 19 HN MET 19 41.789 13.023 4.236
142 HA MET 19 HA MET 19 44.266 11.977 4.231
143 HB2 MET 19 HB2 MET 19 44.330 14.131 6.178
144 HB3 MET 19 HB1 MET 19 44.521 12.588 7.029
145 HG2 MET 19 HG2 MET 19 46.347 11.995 5.380
146 HG3 MET 19 HG1 MET 19 46.218 13.645 4.728
147 HE1 MET 19 HE1 MET 19 49.442 14.244 6.589
148 HE2 MET 19 HE2 MET 19 48.410 14.726 5.221
149 HE3 MET 19 HE3 MET 19 48.894 13.024 5.415
150 H ILE 20 HN ILE 20 42.844 10.352 3.774
151 HA ILE 20 HA ILE 20 41.576 8.490 4.367
152 HB ILE 20 HB ILE 20 42.230 8.965 7.311
153 HG12 ILE 20 HG12 ILE 20 44.031 7.747 5.162
154 HG13 ILE 20 HG11 ILE 20 44.376 9.185 6.147
155 HG21 ILE 20 HG21 ILE 20 42.087 6.345 5.759
156 HG22 ILE 20 HG22 ILE 20 40.633 7.111 6.433
157 HG23 ILE 20 HG23 ILE 20 41.947 6.601 7.514
158 HD11 ILE 20 HD1 ILE 20 44.110 7.617 8.201
159 HD12 ILE 20 HD2 ILE 20 45.583 7.439 7.216
160 HD13 ILE 20 HD3 ILE 20 44.244 6.282 7.029
161 H GLN 21 HN GLN 21 41.023 11.414 4.545
162 HA GLN 21 HA GLN 21 38.887 12.491 4.552
163 HB2 GLN 21 HB2 GLN 21 37.781 10.174 5.175
164 HB3 GLN 21 HB1 GLN 21 37.926 10.742 6.856
165 HG2 GLN 21 HG2 GLN 21 36.692 12.826 6.226
166 HG3 GLN 21 HG1 GLN 21 36.476 12.171 4.584
167 HE21 GLN 21 HE21 GLN 21 36.107 10.864 7.970
168 HE22 GLN 21 HE22 GLN 21 34.516 10.160 7.661
169 H ASN 22 HN ASN 22 41.419 12.700 5.792
170 HA ASN 22 HA ASN 22 42.525 13.740 7.521
171 HB2 ASN 22 HB2 ASN 22 41.629 15.641 6.386
172 HB3 ASN 22 HB1 ASN 22 40.069 15.490 7.246
173 HD21 ASN 22 HD21 ASN 22 43.577 16.194 7.734
174 HD22 ASN 22 HD22 ASN 22 43.341 17.078 9.246
175 H HIS 23 HN HIS 23 41.470 11.510 8.354
176 HA HIS 23 HA HIS 23 39.651 11.697 10.569
177 HB2 HIS 23 HB2 HIS 23 40.298 9.579 9.428
178 HB3 HIS 23 HB1 HIS 23 41.919 9.709 10.150
179 HD1 HIS 23 HD1 HIS 23 38.390 10.185 11.627
180 HD2 HIS 23 HD2 HIS 23 41.886 7.941 12.272
181 HE1 HIS 23 HE1 HIS 23 38.047 8.842 13.773
182 H HIS 24 HN HIS 24 39.856 12.631 12.485
183 HA HIS 24 HA HIS 24 42.297 13.858 13.349
184 HB2 HIS 24 HB2 HIS 24 41.087 14.126 15.531
185 HB3 HIS 24 HB1 HIS 24 40.145 14.675 14.125
186 HD1 HIS 24 HD1 HIS 24 40.322 11.972 16.760
187 HD2 HIS 24 HD2 HIS 24 37.924 12.987 13.457
188 HE1 HIS 24 HE1 HIS 24 38.202 10.551 16.892
Start of MODEL 99
1 H1 PHE 1 HT1 PHE 1 61.151 5.668 7.695
2 H2 PHE 1 HT2 PHE 1 61.731 4.976 6.256
3 H3 PHE 1 HT3 PHE 1 62.489 4.630 7.737
4 HA PHE 1 HA PHE 1 61.084 2.828 6.910
5 HB2 PHE 1 HB2 PHE 1 60.278 4.183 9.516
6 HB3 PHE 1 HB1 PHE 1 59.903 2.498 9.080
7 HD1 PHE 1 HD1 PHE 1 61.691 0.806 8.896
8 HD2 PHE 1 HD2 PHE 1 62.556 4.867 10.072
9 HE1 PHE 1 HE1 PHE 1 63.940 0.094 9.698
10 HE2 PHE 1 HE2 PHE 1 64.806 4.155 10.873
11 HZ PHE 1 HZ PHE 1 65.472 1.757 10.744
12 H LEU 2 HN LEU 2 60.094 5.077 5.412
13 HA LEU 2 HA LEU 2 57.301 5.523 6.037
14 HB2 LEU 2 HB2 LEU 2 58.562 5.746 3.282
15 HB3 LEU 2 HB1 LEU 2 57.197 6.669 3.954
16 HG LEU 2 HG LEU 2 60.107 6.819 4.860
17 HD11 LEU 2 HD11 LEU 2 59.488 7.942 2.682
18 HD12 LEU 2 HD12 LEU 2 60.048 9.067 3.942
19 HD13 LEU 2 HD13 LEU 2 58.311 8.925 3.584
20 HD21 LEU 2 HD21 LEU 2 59.132 8.797 6.231
21 HD22 LEU 2 HD22 LEU 2 58.794 7.159 6.829
22 HD23 LEU 2 HD23 LEU 2 57.540 8.057 5.940
23 H GLY 3 HN GLY 3 56.381 5.084 3.242
24 HA2 GLY 3 HA1 GLY 3 56.515 2.241 2.719
25 HA3 GLY 3 HA2 GLY 3 55.019 2.669 3.571
26 H ALA 4 HN ALA 4 54.490 5.181 2.491
27 HA ALA 4 HA ALA 4 53.149 4.461 0.082
28 HB1 ALA 4 HB1 ALA 4 52.856 6.950 -0.182
29 HB2 ALA 4 HB2 ALA 4 53.921 7.162 1.228
30 HB3 ALA 4 HB3 ALA 4 52.368 6.312 1.405
31 H LEU 5 HN LEU 5 53.476 5.095 -2.089
32 HA LEU 5 HA LEU 5 56.293 4.955 -2.885
33 HB2 LEU 5 HB2 LEU 5 53.983 4.074 -4.021
34 HB3 LEU 5 HB1 LEU 5 54.137 5.612 -4.892
35 HG LEU 5 HG LEU 5 56.299 3.457 -4.715
36 HD11 LEU 5 HD11 LEU 5 54.252 2.870 -6.077
37 HD12 LEU 5 HD12 LEU 5 55.752 2.969 -7.030
38 HD13 LEU 5 HD13 LEU 5 54.575 4.303 -7.081
39 HD21 LEU 5 HD21 LEU 5 56.116 6.063 -6.295
40 HD22 LEU 5 HD22 LEU 5 57.383 4.832 -6.504
41 HD23 LEU 5 HD23 LEU 5 57.247 5.714 -4.966
42 H ILE 6 HN ILE 6 55.883 7.214 -1.299
43 HA ILE 6 HA ILE 6 56.109 9.555 -1.271
44 HB ILE 6 HB ILE 6 57.501 9.374 -3.991
45 HG12 ILE 6 HG12 ILE 6 58.541 8.225 -1.358
46 HG13 ILE 6 HG11 ILE 6 58.209 7.320 -2.852
47 HG21 ILE 6 HG21 ILE 6 58.464 10.674 -1.411
48 HG22 ILE 6 HG22 ILE 6 57.281 11.483 -2.464
49 HG23 ILE 6 HG23 ILE 6 58.895 11.076 -3.091
50 HD11 ILE 6 HD1 ILE 6 60.568 7.690 -2.860
51 HD12 ILE 6 HD2 ILE 6 60.383 9.386 -2.354
52 HD13 ILE 6 HD3 ILE 6 59.908 8.889 -3.997
53 H LYS 7 HN LYS 7 56.484 11.002 -4.027
54 HA LYS 7 HA LYS 7 54.978 12.460 -5.060
55 HB2 LYS 7 HB2 LYS 7 53.137 10.007 -5.039
56 HB3 LYS 7 HB1 LYS 7 52.823 11.509 -5.941
57 HG2 LYS 7 HG2 LYS 7 54.703 11.161 -7.383
58 HG3 LYS 7 HG1 LYS 7 55.367 9.887 -6.336
59 HD2 LYS 7 HD2 LYS 7 54.279 8.918 -8.344
60 HD3 LYS 7 HD1 LYS 7 53.439 8.431 -6.853
61 HE2 LYS 7 HE2 LYS 7 51.967 9.211 -8.830
62 HE3 LYS 7 HE1 LYS 7 51.637 9.944 -7.244
63 HZ1 LYS 7 HZ1 LYS 7 52.017 11.360 -9.456
64 HZ2 LYS 7 HZ2 LYS 7 53.624 11.283 -8.909
65 HZ3 LYS 7 HZ3 LYS 7 52.414 11.940 -7.913
66 H GLY 8 HN GLY 8 55.430 11.796 -2.475
67 HA2 GLY 8 HA1 GLY 8 54.787 11.774 -0.346
68 HA3 GLY 8 HA2 GLY 8 54.244 13.449 -0.749
69 H ALA 9 HN ALA 9 53.346 10.098 -0.287
70 HA ALA 9 HA ALA 9 51.339 9.075 0.158
71 HB1 ALA 9 HB1 ALA 9 51.366 10.633 2.071
72 HB2 ALA 9 HB2 ALA 9 49.709 10.335 1.497
73 HB3 ALA 9 HB3 ALA 9 50.534 11.856 1.084
74 H ILE 10 HN ILE 10 51.557 9.406 -2.418
75 HA ILE 10 HA ILE 10 50.277 9.357 -4.324
76 HB ILE 10 HB ILE 10 48.273 9.117 -2.297
77 HG12 ILE 10 HG12 ILE 10 46.819 8.376 -4.335
78 HG13 ILE 10 HG11 ILE 10 48.254 8.737 -5.319
79 HG21 ILE 10 HG21 ILE 10 47.312 11.100 -4.407
80 HG22 ILE 10 HG22 ILE 10 47.657 11.517 -2.711
81 HG23 ILE 10 HG23 ILE 10 46.350 10.377 -3.099
82 HD11 ILE 10 HD1 ILE 10 49.584 7.185 -3.836
83 HD12 ILE 10 HD2 ILE 10 48.271 6.368 -4.714
84 HD13 ILE 10 HD3 ILE 10 48.076 6.770 -2.992
85 H HIS 11 HN HIS 11 49.808 12.147 -2.186
86 HA HIS 11 HA HIS 11 50.825 13.991 -4.131
87 HB2 HIS 11 HB2 HIS 11 48.685 13.640 -5.287
88 HB3 HIS 11 HB1 HIS 11 47.796 13.975 -3.784
89 HD1 HIS 11 HD1 HIS 11 49.726 15.627 -6.571
90 HD2 HIS 11 HD2 HIS 11 47.857 16.742 -2.973
91 HE1 HIS 11 HE1 HIS 11 49.512 18.173 -6.581
92 H GLY 12 HN GLY 12 49.420 13.069 -1.158
93 HA2 GLY 12 HA1 GLY 12 50.668 14.597 0.623
94 HA3 GLY 12 HA2 GLY 12 49.540 15.817 -0.007
95 H GLY 13 HN GLY 13 48.557 12.481 0.033
96 HA2 GLY 13 HA1 GLY 13 46.887 11.412 1.223
97 HA3 GLY 13 HA2 GLY 13 47.488 12.286 2.648
98 H ARG 14 HN ARG 14 45.610 12.872 -0.344
99 HA ARG 14 HA ARG 14 43.326 13.819 1.164
100 HB2 ARG 14 HB2 ARG 14 43.364 16.159 0.627
101 HB3 ARG 14 HB1 ARG 14 44.931 15.772 1.361
102 HG2 ARG 14 HG2 ARG 14 45.617 17.021 -0.497
103 HG3 ARG 14 HG1 ARG 14 45.716 15.372 -1.140
104 HD2 ARG 14 HD2 ARG 14 44.297 16.010 -2.824
105 HD3 ARG 14 HD1 ARG 14 43.012 16.289 -1.630
106 HE ARG 14 HE ARG 14 44.576 18.582 -1.480
107 HH11 ARG 14 HH11 ARG 14 41.824 17.718 -2.967
108 HH12 ARG 14 HH12 ARG 14 42.008 18.697 -4.384
109 HH21 ARG 14 HH21 ARG 14 45.328 19.465 -3.742
110 HH22 ARG 14 HH22 ARG 14 43.992 19.687 -4.822
111 H PHE 15 HN PHE 15 45.129 13.847 -1.918
112 HA PHE 15 HA PHE 15 42.896 14.209 -3.643
113 HB2 PHE 15 HB2 PHE 15 45.233 14.302 -4.423
114 HB3 PHE 15 HB1 PHE 15 45.426 12.564 -4.084
115 HD1 PHE 15 HD1 PHE 15 44.883 10.980 -5.767
116 HD2 PHE 15 HD2 PHE 15 43.277 14.979 -6.020
117 HE1 PHE 15 HE1 PHE 15 43.931 10.456 -8.009
118 HE2 PHE 15 HE2 PHE 15 42.325 14.454 -8.262
119 HZ PHE 15 HZ PHE 15 42.598 12.173 -9.228
120 H ILE 16 HN ILE 16 41.140 13.080 -2.786
121 HA ILE 16 HA ILE 16 39.872 11.211 -2.216
122 HB ILE 16 HB ILE 16 39.557 9.631 -4.122
123 HG12 ILE 16 HG12 ILE 16 41.719 11.284 -5.521
124 HG13 ILE 16 HG11 ILE 16 42.005 9.665 -4.852
125 HG21 ILE 16 HG21 ILE 16 38.592 11.263 -5.599
126 HG22 ILE 16 HG22 ILE 16 39.762 12.509 -5.104
127 HG23 ILE 16 HG23 ILE 16 38.508 11.964 -3.969
128 HD11 ILE 16 HD1 ILE 16 39.992 8.907 -6.306
129 HD12 ILE 16 HD2 ILE 16 41.513 9.287 -7.144
130 HD13 ILE 16 HD3 ILE 16 40.182 10.466 -7.143
131 H HIS 17 HN HIS 17 42.093 11.008 -0.745
132 HA HIS 17 HA HIS 17 42.354 8.089 -0.482
133 HB2 HIS 17 HB2 HIS 17 44.086 8.585 -2.203
134 HB3 HIS 17 HB1 HIS 17 44.837 9.748 -1.084
135 HD1 HIS 17 HD1 HIS 17 44.293 6.050 -1.663
136 HD2 HIS 17 HD2 HIS 17 46.140 8.544 1.173
137 HE1 HIS 17 HE1 HIS 17 45.776 4.572 -0.201
138 H GLY 18 HN GLY 18 42.525 11.306 0.549
139 HA2 GLY 18 HA1 GLY 18 42.983 10.423 3.366
140 HA3 GLY 18 HA2 GLY 18 43.966 11.751 2.710
141 H MET 19 HN MET 19 40.587 10.824 2.211
142 HA MET 19 HA MET 19 39.359 12.872 3.815
143 HB2 MET 19 HB2 MET 19 40.421 14.263 2.172
144 HB3 MET 19 HB1 MET 19 39.631 13.342 0.903
145 HG2 MET 19 HG2 MET 19 37.435 14.087 1.621
146 HG3 MET 19 HG1 MET 19 38.119 14.817 3.091
147 HE1 MET 19 HE1 MET 19 36.788 16.970 2.550
148 HE2 MET 19 HE2 MET 19 36.159 16.246 1.050
149 HE3 MET 19 HE3 MET 19 36.882 17.872 1.018
150 H ILE 20 HN ILE 20 39.070 11.417 0.524
151 HA ILE 20 HA ILE 20 36.268 10.670 1.027
152 HB ILE 20 HB ILE 20 38.357 9.835 -1.045
153 HG12 ILE 20 HG12 ILE 20 36.875 10.928 -2.609
154 HG13 ILE 20 HG11 ILE 20 35.571 11.022 -1.406
155 HG21 ILE 20 HG21 ILE 20 36.428 8.500 -2.096
156 HG22 ILE 20 HG22 ILE 20 35.611 8.625 -0.520
157 HG23 ILE 20 HG23 ILE 20 37.172 7.780 -0.649
158 HD11 ILE 20 HD1 ILE 20 38.252 12.392 -0.975
159 HD12 ILE 20 HD2 ILE 20 36.713 12.689 -0.134
160 HD13 ILE 20 HD3 ILE 20 36.912 13.187 -1.831
161 H GLN 21 HN GLN 21 39.265 10.030 2.137
162 HA GLN 21 HA GLN 21 38.545 7.404 3.346
163 HB2 GLN 21 HB2 GLN 21 40.458 7.331 1.661
164 HB3 GLN 21 HB1 GLN 21 41.339 8.451 2.727
165 HG2 GLN 21 HG2 GLN 21 42.057 6.218 3.295
166 HG3 GLN 21 HG1 GLN 21 40.995 6.771 4.609
167 HE21 GLN 21 HE21 GLN 21 40.350 5.353 1.317
168 HE22 GLN 21 HE22 GLN 21 39.291 4.078 1.931
169 H ASN 22 HN ASN 22 39.661 10.877 3.660
170 HA ASN 22 HA ASN 22 39.880 10.264 6.670
171 HB2 ASN 22 HB2 ASN 22 41.948 11.176 5.351
172 HB3 ASN 22 HB1 ASN 22 41.079 12.724 5.383
173 HD21 ASN 22 HD21 ASN 22 41.059 13.927 7.324
174 HD22 ASN 22 HD22 ASN 22 41.795 13.344 8.821
175 H HIS 23 HN HIS 23 37.449 10.927 4.965
176 HA HIS 23 HA HIS 23 36.580 13.565 5.347
177 HB2 HIS 23 HB2 HIS 23 35.279 11.867 4.121
178 HB3 HIS 23 HB1 HIS 23 34.948 11.010 5.644
179 HD1 HIS 23 HD1 HIS 23 32.361 11.444 5.251
180 HD2 HIS 23 HD2 HIS 23 34.678 14.927 5.675
181 HE1 HIS 23 HE1 HIS 23 30.757 13.376 5.720
182 H HIS 24 HN HIS 24 35.686 10.846 7.527
183 HA HIS 24 HA HIS 24 34.740 12.505 9.629
184 HB2 HIS 24 HB2 HIS 24 36.043 9.772 9.923
185 HB3 HIS 24 HB1 HIS 24 34.870 10.529 11.026
186 HD1 HIS 24 HD1 HIS 24 32.380 10.707 10.242
187 HD2 HIS 24 HD2 HIS 24 34.903 8.599 7.620
188 HE1 HIS 24 HE1 HIS 24 30.889 9.510 8.548
Start of MODEL 100
1 H1 PHE 1 HT1 PHE 1 59.620 3.981 8.139
2 H2 PHE 1 HT2 PHE 1 59.046 5.517 8.582
3 H3 PHE 1 HT3 PHE 1 60.580 4.998 9.096
4 HA PHE 1 HA PHE 1 60.613 6.610 7.258
5 HB2 PHE 1 HB2 PHE 1 62.455 4.970 7.774
6 HB3 PHE 1 HB1 PHE 1 61.732 3.863 6.583
7 HD1 PHE 1 HD1 PHE 1 62.841 7.455 6.921
8 HD2 PHE 1 HD2 PHE 1 62.437 4.026 4.327
9 HE1 PHE 1 HE1 PHE 1 63.996 8.697 5.097
10 HE2 PHE 1 HE2 PHE 1 63.595 5.269 2.506
11 HZ PHE 1 HZ PHE 1 64.420 7.586 2.907
12 H LEU 2 HN LEU 2 60.049 7.143 5.184
13 HA LEU 2 HA LEU 2 57.666 5.920 4.129
14 HB2 LEU 2 HB2 LEU 2 59.598 7.665 2.566
15 HB3 LEU 2 HB1 LEU 2 57.838 7.508 2.359
16 HG LEU 2 HG LEU 2 59.294 8.744 4.739
17 HD11 LEU 2 HD11 LEU 2 59.128 10.100 2.620
18 HD12 LEU 2 HD12 LEU 2 58.251 10.816 3.993
19 HD13 LEU 2 HD13 LEU 2 57.356 9.954 2.718
20 HD21 LEU 2 HD21 LEU 2 56.364 8.058 4.258
21 HD22 LEU 2 HD22 LEU 2 56.851 9.345 5.389
22 HD23 LEU 2 HD23 LEU 2 57.374 7.670 5.671
23 H GLY 3 HN GLY 3 57.566 5.266 1.728
24 HA2 GLY 3 HA1 GLY 3 59.846 3.998 0.535
25 HA3 GLY 3 HA2 GLY 3 58.897 2.795 1.430
26 H ALA 4 HN ALA 4 56.502 4.717 0.788
27 HA ALA 4 HA ALA 4 55.493 3.159 -1.396
28 HB1 ALA 4 HB1 ALA 4 53.607 4.641 -1.349
29 HB2 ALA 4 HB2 ALA 4 54.555 5.917 -0.547
30 HB3 ALA 4 HB3 ALA 4 54.149 4.423 0.331
31 H LEU 5 HN LEU 5 54.288 5.486 -2.830
32 HA LEU 5 HA LEU 5 56.342 5.679 -4.904
33 HB2 LEU 5 HB2 LEU 5 53.747 7.252 -4.757
34 HB3 LEU 5 HB1 LEU 5 54.670 6.776 -6.202
35 HG LEU 5 HG LEU 5 53.236 4.878 -4.288
36 HD11 LEU 5 HD11 LEU 5 52.650 5.695 -7.169
37 HD12 LEU 5 HD12 LEU 5 51.718 6.193 -5.737
38 HD13 LEU 5 HD13 LEU 5 51.748 4.483 -6.229
39 HD21 LEU 5 HD21 LEU 5 54.985 4.445 -6.746
40 HD22 LEU 5 HD22 LEU 5 53.789 3.234 -6.226
41 HD23 LEU 5 HD23 LEU 5 55.124 3.685 -5.143
42 H ILE 6 HN ILE 6 55.718 7.367 -2.037
43 HA ILE 6 HA ILE 6 56.328 9.504 -1.239
44 HB ILE 6 HB ILE 6 58.670 9.516 -3.220
45 HG12 ILE 6 HG12 ILE 6 58.388 7.102 -2.549
46 HG13 ILE 6 HG11 ILE 6 59.904 7.830 -1.991
47 HG21 ILE 6 HG21 ILE 6 58.595 11.271 -1.560
48 HG22 ILE 6 HG22 ILE 6 59.895 10.146 -1.107
49 HG23 ILE 6 HG23 ILE 6 58.341 10.103 -0.242
50 HD11 ILE 6 HD1 ILE 6 59.162 7.965 0.256
51 HD12 ILE 6 HD2 ILE 6 58.559 6.387 -0.298
52 HD13 ILE 6 HD3 ILE 6 57.454 7.772 -0.198
53 H LYS 7 HN LYS 7 54.457 9.429 -3.330
54 HA LYS 7 HA LYS 7 55.052 12.022 -4.720
55 HB2 LYS 7 HB2 LYS 7 52.558 10.232 -4.635
56 HB3 LYS 7 HB1 LYS 7 52.645 11.789 -5.497
57 HG2 LYS 7 HG2 LYS 7 54.595 10.868 -6.816
58 HG3 LYS 7 HG1 LYS 7 54.294 9.287 -6.057
59 HD2 LYS 7 HD2 LYS 7 52.005 9.262 -6.974
60 HD3 LYS 7 HD1 LYS 7 52.267 10.865 -7.701
61 HE2 LYS 7 HE2 LYS 7 52.591 8.994 -9.340
62 HE3 LYS 7 HE1 LYS 7 54.057 9.978 -9.117
63 HZ1 LYS 7 HZ1 LYS 7 53.476 7.379 -7.783
64 HZ2 LYS 7 HZ2 LYS 7 54.864 8.325 -7.535
65 HZ3 LYS 7 HZ3 LYS 7 54.571 7.622 -9.054
66 H GLY 8 HN GLY 8 55.350 11.288 -2.133
67 HA2 GLY 8 HA1 GLY 8 55.148 11.682 -0.047
68 HA3 GLY 8 HA2 GLY 8 54.529 13.323 -0.497
69 H ALA 9 HN ALA 9 53.573 9.919 -0.265
70 HA ALA 9 HA ALA 9 51.717 8.897 0.598
71 HB1 ALA 9 HB1 ALA 9 52.057 10.687 2.441
72 HB2 ALA 9 HB2 ALA 9 50.458 9.918 2.313
73 HB3 ALA 9 HB3 ALA 9 50.714 11.554 1.662
74 H ILE 10 HN ILE 10 51.401 8.854 -1.802
75 HA ILE 10 HA ILE 10 49.924 8.883 -3.571
76 HB ILE 10 HB ILE 10 48.054 9.626 -1.299
77 HG12 ILE 10 HG12 ILE 10 46.861 7.623 -2.118
78 HG13 ILE 10 HG11 ILE 10 47.989 7.508 -3.489
79 HG21 ILE 10 HG21 ILE 10 46.157 9.673 -3.068
80 HG22 ILE 10 HG22 ILE 10 47.439 10.080 -4.232
81 HG23 ILE 10 HG23 ILE 10 47.122 11.152 -2.844
82 HD11 ILE 10 HD1 ILE 10 48.890 7.480 -0.581
83 HD12 ILE 10 HD2 ILE 10 49.859 7.087 -2.022
84 HD13 ILE 10 HD3 ILE 10 48.543 6.003 -1.509
85 H HIS 11 HN HIS 11 48.920 11.833 -1.800
86 HA HIS 11 HA HIS 11 50.254 13.535 -3.826
87 HB2 HIS 11 HB2 HIS 11 48.031 13.001 -4.837
88 HB3 HIS 11 HB1 HIS 11 47.238 13.623 -3.369
89 HD1 HIS 11 HD1 HIS 11 46.529 16.000 -3.541
90 HD2 HIS 11 HD2 HIS 11 49.839 15.171 -5.997
91 HE1 HIS 11 HE1 HIS 11 47.139 18.164 -4.753
92 H GLY 12 HN GLY 12 49.447 12.701 -0.791
93 HA2 GLY 12 HA1 GLY 12 49.612 13.794 1.247
94 HA3 GLY 12 HA2 GLY 12 50.443 15.108 0.390
95 H GLY 13 HN GLY 13 47.293 14.189 -0.714
96 HA2 GLY 13 HA1 GLY 13 45.801 15.992 1.006
97 HA3 GLY 13 HA2 GLY 13 46.166 16.722 -0.571
98 H ARG 14 HN ARG 14 46.099 14.173 -2.015
99 HA ARG 14 HA ARG 14 43.176 14.069 -2.398
100 HB2 ARG 14 HB2 ARG 14 44.979 14.027 -4.247
101 HB3 ARG 14 HB1 ARG 14 45.276 12.345 -3.762
102 HG2 ARG 14 HG2 ARG 14 43.687 12.298 -5.586
103 HG3 ARG 14 HG1 ARG 14 42.811 11.877 -4.099
104 HD2 ARG 14 HD2 ARG 14 41.578 13.858 -4.112
105 HD3 ARG 14 HD1 ARG 14 42.876 14.795 -4.891
106 HE ARG 14 HE ARG 14 41.759 12.778 -6.668
107 HH11 ARG 14 HH11 ARG 14 39.243 13.973 -6.147
108 HH12 ARG 14 HH12 ARG 14 39.226 15.429 -7.085
109 HH21 ARG 14 HH21 ARG 14 42.665 15.503 -7.521
110 HH22 ARG 14 HH22 ARG 14 41.163 16.295 -7.862
111 H PHE 15 HN PHE 15 45.637 12.365 -0.696
112 HA PHE 15 HA PHE 15 44.765 9.726 -0.621
113 HB2 PHE 15 HB2 PHE 15 46.753 10.594 0.568
114 HB3 PHE 15 HB1 PHE 15 45.689 11.383 1.757
115 HD1 PHE 15 HD1 PHE 15 46.460 8.032 0.224
116 HD2 PHE 15 HD2 PHE 15 44.918 10.165 3.648
117 HE1 PHE 15 HE1 PHE 15 46.317 5.893 1.494
118 HE2 PHE 15 HE2 PHE 15 44.775 8.025 4.916
119 HZ PHE 15 HZ PHE 15 45.526 5.898 3.857
120 H ILE 16 HN ILE 16 43.635 12.333 1.621
121 HA ILE 16 HA ILE 16 41.611 10.591 2.742
122 HB ILE 16 HB ILE 16 42.524 12.442 4.049
123 HG12 ILE 16 HG12 ILE 16 39.574 13.040 3.526
124 HG13 ILE 16 HG11 ILE 16 40.113 11.543 4.313
125 HG21 ILE 16 HG21 ILE 16 40.977 14.507 2.461
126 HG22 ILE 16 HG22 ILE 16 42.562 13.981 1.855
127 HG23 ILE 16 HG23 ILE 16 42.424 14.702 3.471
128 HD11 ILE 16 HD1 ILE 16 41.040 14.253 5.322
129 HD12 ILE 16 HD2 ILE 16 41.021 12.693 6.175
130 HD13 ILE 16 HD3 ILE 16 39.495 13.546 5.844
131 H HIS 17 HN HIS 17 41.030 13.695 0.905
132 HA HIS 17 HA HIS 17 39.209 12.290 -0.904
133 HB2 HIS 17 HB2 HIS 17 37.882 12.351 1.241
134 HB3 HIS 17 HB1 HIS 17 37.910 14.125 1.143
135 HD1 HIS 17 HD1 HIS 17 36.526 15.275 -0.743
136 HD2 HIS 17 HD2 HIS 17 36.247 11.079 -0.723
137 HE1 HIS 17 HE1 HIS 17 34.589 14.634 -2.281
138 H GLY 18 HN GLY 18 41.433 14.350 -0.658
139 HA2 GLY 18 HA1 GLY 18 41.605 15.813 -2.759
140 HA3 GLY 18 HA2 GLY 18 40.142 16.626 -2.138
141 H MET 19 HN MET 19 40.490 16.635 0.434
142 HA MET 19 HA MET 19 42.754 17.214 1.704
143 HB2 MET 19 HB2 MET 19 42.392 19.372 -0.238
144 HB3 MET 19 HB1 MET 19 42.378 20.014 1.416
145 HG2 MET 19 HG2 MET 19 44.531 18.147 0.344
146 HG3 MET 19 HG1 MET 19 44.663 19.921 0.335
147 HE1 MET 19 HE1 MET 19 46.532 20.624 2.238
148 HE2 MET 19 HE2 MET 19 46.819 19.124 1.324
149 HE3 MET 19 HE3 MET 19 47.108 19.166 3.080
150 H ILE 20 HN ILE 20 41.340 16.184 3.056
151 HA ILE 20 HA ILE 20 39.816 16.198 4.819
152 HB ILE 20 HB ILE 20 39.772 19.250 4.772
153 HG12 ILE 20 HG12 ILE 20 41.925 17.430 5.959
154 HG13 ILE 20 HG11 ILE 20 42.152 18.631 4.669
155 HG21 ILE 20 HG21 ILE 20 39.792 17.358 7.162
156 HG22 ILE 20 HG22 ILE 20 38.287 17.770 6.313
157 HG23 ILE 20 HG23 ILE 20 39.243 19.048 7.091
158 HD11 ILE 20 HD1 ILE 20 41.551 19.112 7.604
159 HD12 ILE 20 HD2 ILE 20 41.262 20.370 6.377
160 HD13 ILE 20 HD3 ILE 20 42.904 19.733 6.633
161 H GLN 21 HN GLN 21 39.494 16.683 1.886
162 HA GLN 21 HA GLN 21 37.520 16.365 0.566
163 HB2 GLN 21 HB2 GLN 21 36.106 16.312 2.801
164 HB3 GLN 21 HB1 GLN 21 35.860 18.047 2.492
165 HG2 GLN 21 HG2 GLN 21 35.099 17.386 0.134
166 HG3 GLN 21 HG1 GLN 21 35.074 15.704 0.715
167 HE21 GLN 21 HE21 GLN 21 32.665 15.796 0.308
168 HE22 GLN 21 HE22 GLN 21 31.641 16.551 1.534
169 H ASN 22 HN ASN 22 39.660 18.166 0.823
170 HA ASN 22 HA ASN 22 40.374 20.270 0.221
171 HB2 ASN 22 HB2 ASN 22 39.509 21.004 -1.995
172 HB3 ASN 22 HB1 ASN 22 40.001 19.285 -1.923
173 HD21 ASN 22 HD21 ASN 22 38.322 17.638 -2.004
174 HD22 ASN 22 HD22 ASN 22 36.664 18.046 -2.458
175 H HIS 23 HN HIS 23 39.031 20.491 2.373
176 HA HIS 23 HA HIS 23 37.793 21.986 3.663
177 HB2 HIS 23 HB2 HIS 23 38.165 23.931 1.359
178 HB3 HIS 23 HB1 HIS 23 37.929 24.315 3.081
179 HD1 HIS 23 HD1 HIS 23 39.887 23.203 4.727
180 HD2 HIS 23 HD2 HIS 23 40.837 23.888 0.688
181 HE1 HIS 23 HE1 HIS 23 42.436 23.167 4.527
182 H HIS 24 HN HIS 24 35.946 23.880 3.309
183 HA HIS 24 HA HIS 24 34.017 23.240 1.235
184 HB2 HIS 24 HB2 HIS 24 32.277 22.273 2.684
185 HB3 HIS 24 HB1 HIS 24 33.721 21.232 2.648
186 HD1 HIS 24 HD1 HIS 24 35.585 22.305 4.669
187 HD2 HIS 24 HD2 HIS 24 31.428 22.440 5.295
188 HE1 HIS 24 HE1 HIS 24 35.199 22.495 7.188