Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
624651 | 6c41 RC | 30396 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 HT1 VAL 1 6.721 9.134 5.406
2 H2 VAL 1 HT2 VAL 1 5.406 9.871 6.188
3 H3 VAL 1 HT3 VAL 1 5.145 8.701 4.989
4 HA VAL 1 HA VAL 1 5.733 8.383 7.782
5 HB VAL 1 HB VAL 1 4.567 6.233 7.350
6 HG11 VAL 1 HG11 VAL 1 2.889 8.086 5.771
7 HG12 VAL 1 HG12 VAL 1 3.488 8.750 7.291
8 HG13 VAL 1 HG13 VAL 1 2.540 7.263 7.297
9 HG21 VAL 1 HG21 VAL 1 3.863 6.885 4.571
10 HG22 VAL 1 HG22 VAL 1 4.353 5.344 5.264
11 HG23 VAL 1 HG23 VAL 1 5.575 6.510 4.774
12 H PHE 2 HN PHE 2 6.177 5.488 7.372
13 HA PHE 2 HA PHE 2 8.932 5.363 7.677
14 HB2 PHE 2 HB2 PHE 2 8.519 2.863 6.997
15 HB3 PHE 2 HB1 PHE 2 7.836 3.495 8.494
16 HD1 PHE 2 HD1 PHE 2 7.071 2.839 4.904
17 HD2 PHE 2 HD2 PHE 2 5.476 3.574 8.827
18 HE1 PHE 2 HE1 PHE 2 4.794 2.326 4.077
19 HE2 PHE 2 HE2 PHE 2 3.203 3.058 7.993
20 HZ PHE 2 HZ PHE 2 2.856 2.432 5.624
21 H GLN 3 HN GLN 3 7.010 5.145 4.752
22 HA GLN 3 HA GLN 3 8.813 4.024 2.984
23 HB2 GLN 3 HB2 GLN 3 6.966 6.352 2.409
24 HB3 GLN 3 HB1 GLN 3 7.710 5.310 1.205
25 HG2 GLN 3 HG2 GLN 3 6.544 3.357 2.169
26 HG3 GLN 3 HG1 GLN 3 5.789 4.406 3.369
27 HE21 GLN 3 HE21 GLN 3 3.897 3.211 1.979
28 HE22 GLN 3 HE22 GLN 3 3.277 4.158 0.720
29 H PHE 4 HN PHE 4 8.735 7.387 4.154
30 HA PHE 4 HA PHE 4 10.754 8.367 2.425
31 HB2 PHE 4 HB2 PHE 4 10.067 9.246 5.244
32 HB3 PHE 4 HB1 PHE 4 11.038 10.160 4.095
33 HD1 PHE 4 HD1 PHE 4 8.258 10.797 5.498
34 HD2 PHE 4 HD2 PHE 4 9.396 9.440 1.580
35 HE1 PHE 4 HE1 PHE 4 6.199 11.807 4.539
36 HE2 PHE 4 HE2 PHE 4 7.346 10.445 0.634
37 HZ PHE 4 HZ PHE 4 5.747 11.634 2.104
38 H LEU 5 HN LEU 5 10.859 6.930 5.636
39 HA LEU 5 HA LEU 5 13.682 7.068 5.918
40 HB2 LEU 5 HB2 LEU 5 12.333 4.882 7.355
41 HB3 LEU 5 HB1 LEU 5 13.326 6.200 7.980
42 HG LEU 5 HG LEU 5 10.431 6.442 7.099
43 HD11 LEU 5 HD11 LEU 5 10.093 6.891 9.563
44 HD12 LEU 5 HD12 LEU 5 11.733 6.292 9.819
45 HD13 LEU 5 HD13 LEU 5 10.499 5.225 9.149
46 HD21 LEU 5 HD21 LEU 5 11.909 8.513 8.703
47 HD22 LEU 5 HD22 LEU 5 10.529 8.713 7.635
48 HD23 LEU 5 HD23 LEU 5 12.134 8.476 6.956
49 H GLY 6 HN GLY 6 11.425 4.728 4.645
50 HA2 GLY 6 HA2 GLY 6 13.027 2.470 4.449
51 HA3 GLY 6 HA1 GLY 6 11.703 2.852 3.357
52 H LYS 7 HN LYS 7 12.709 5.152 2.083
53 HA LYS 7 HA LYS 7 14.489 3.914 0.242
54 HB2 LYS 7 HB2 LYS 7 14.646 6.280 -0.748
55 HB3 LYS 7 HB1 LYS 7 13.087 5.477 -0.780
56 HG2 LYS 7 HG2 LYS 7 12.513 7.590 0.004
57 HG3 LYS 7 HG1 LYS 7 12.702 6.693 1.506
58 HD2 LYS 7 HD2 LYS 7 13.864 8.817 1.700
59 HD3 LYS 7 HD1 LYS 7 15.056 7.528 1.651
60 HE2 LYS 7 HE2 LYS 7 14.420 8.419 -1.036
61 HE3 LYS 7 HE1 LYS 7 14.940 9.774 -0.040
62 HZ1 LYS 7 HZ1 LYS 7 16.981 8.814 0.370
63 HZ2 LYS 7 HZ2 LYS 7 16.702 8.373 -1.246
64 HZ3 LYS 7 HZ3 LYS 7 16.457 7.246 -0.001
65 H ILE 8 HN ILE 8 14.918 5.880 3.056
66 HA ILE 8 HA ILE 8 17.519 6.834 2.506
67 HB ILE 8 HB ILE 8 16.280 6.201 5.196
68 HG12 ILE 8 HG12 ILE 8 15.066 7.834 3.615
69 HG13 ILE 8 HG11 ILE 8 15.475 8.445 5.216
70 HG21 ILE 8 HG21 ILE 8 18.739 7.719 4.323
71 HG22 ILE 8 HG22 ILE 8 18.590 6.504 5.593
72 HG23 ILE 8 HG23 ILE 8 17.920 8.116 5.833
73 HD11 ILE 8 HD11 ILE 8 16.032 10.000 3.260
74 HD12 ILE 8 HD12 ILE 8 17.283 8.837 2.816
75 HD13 ILE 8 HD13 ILE 8 17.361 9.661 4.370
76 H ILE 9 HN ILE 9 16.479 4.013 4.446
77 HA ILE 9 HA ILE 9 19.133 3.016 4.763
78 HB ILE 9 HB ILE 9 17.794 0.856 5.351
79 HG12 ILE 9 HG12 ILE 9 15.473 2.555 5.954
80 HG13 ILE 9 HG11 ILE 9 15.719 2.322 4.227
81 HG21 ILE 9 HG21 ILE 9 18.825 2.403 6.991
82 HG22 ILE 9 HG22 ILE 9 17.279 1.780 7.562
83 HG23 ILE 9 HG23 ILE 9 17.385 3.418 6.921
84 HD11 ILE 9 HD11 ILE 9 15.336 0.201 6.341
85 HD12 ILE 9 HD12 ILE 9 15.968 -0.174 4.737
86 HD13 ILE 9 HD13 ILE 9 14.344 0.501 4.915
87 H HIS 10 HN HIS 10 16.527 2.392 2.526
88 HA HIS 10 HA HIS 10 17.486 0.097 1.261
89 HB2 HIS 10 HB2 HIS 10 15.229 0.932 0.891
90 HB3 HIS 10 HB1 HIS 10 15.867 2.375 0.106
91 HD2 HIS 10 HD2 HIS 10 17.476 -1.074 -0.842
92 HE1 HIS 10 HE1 HIS 10 15.135 0.212 -4.111
93 HE2 HIS 10 HE2 HIS 10 16.825 -1.515 -3.331
94 H HIS 11 HN HIS 11 18.412 3.484 0.778
95 HA HIS 11 HA HIS 11 19.820 3.029 -1.667
96 HB2 HIS 11 HB2 HIS 11 19.615 5.224 0.333
97 HB3 HIS 11 HB1 HIS 11 21.075 5.192 -0.653
98 HD2 HIS 11 HD2 HIS 11 17.257 4.629 -1.708
99 HE1 HIS 11 HE1 HIS 11 19.065 7.365 -4.364
100 HE2 HIS 11 HE2 HIS 11 16.916 6.132 -3.813
101 H VAL 12 HN VAL 12 20.708 3.190 1.710
102 HA VAL 12 HA VAL 12 23.459 2.725 1.375
103 HB VAL 12 HB VAL 12 22.285 1.822 3.888
104 HG11 VAL 12 HG11 VAL 12 23.853 3.437 4.788
105 HG12 VAL 12 HG12 VAL 12 24.027 4.200 3.208
106 HG13 VAL 12 HG13 VAL 12 24.647 2.571 3.472
107 HG21 VAL 12 HG21 VAL 12 21.552 4.550 2.782
108 HG22 VAL 12 HG22 VAL 12 21.510 4.169 4.501
109 HG23 VAL 12 HG23 VAL 12 20.459 3.304 3.385
110 H GLY 13 HN GLY 13 20.705 0.681 2.131
111 HA2 GLY 13 HA2 GLY 13 22.039 -1.771 2.489
112 HA3 GLY 13 HA1 GLY 13 20.361 -1.586 2.000
113 H ASN 14 HN ASN 14 20.799 -0.160 -0.392
114 HA ASN 14 HA ASN 14 21.042 -2.220 -2.235
115 HB2 ASN 14 HB2 ASN 14 20.286 -0.589 -3.566
116 HB3 ASN 14 HB1 ASN 14 20.618 0.598 -2.313
117 HD21 ASN 14 HD21 ASN 14 22.704 1.731 -2.388
118 HD22 ASN 14 HD22 ASN 14 23.634 1.737 -3.812
119 H PHE 15 HN PHE 15 23.576 -0.191 -0.826
120 HA PHE 15 HA PHE 15 25.555 -1.004 -2.738
121 HB2 PHE 15 HB2 PHE 15 25.684 0.392 -0.067
122 HB3 PHE 15 HB1 PHE 15 27.136 -0.048 -0.963
123 HD1 PHE 15 HD1 PHE 15 26.800 0.516 -3.671
124 HD2 PHE 15 HD2 PHE 15 25.020 2.590 -0.361
125 HE1 PHE 15 HE1 PHE 15 26.507 2.526 -5.096
126 HE2 PHE 15 HE2 PHE 15 24.729 4.600 -1.780
127 HZ PHE 15 HZ PHE 15 25.465 4.567 -4.149
128 H VAL 16 HN VAL 16 24.717 -1.828 0.556
129 HA VAL 16 HA VAL 16 26.687 -3.754 1.032
130 HB VAL 16 HB VAL 16 24.044 -4.197 2.243
131 HG11 VAL 16 HG11 VAL 16 26.800 -3.539 3.317
132 HG12 VAL 16 HG12 VAL 16 26.109 -5.153 3.153
133 HG13 VAL 16 HG13 VAL 16 25.415 -4.014 4.304
134 HG21 VAL 16 HG21 VAL 16 23.789 -1.834 1.905
135 HG22 VAL 16 HG22 VAL 16 25.442 -1.517 2.428
136 HG23 VAL 16 HG23 VAL 16 24.235 -2.073 3.589
137 H HIS 17 HN HIS 17 23.411 -3.953 -0.244
138 HA HIS 17 HA HIS 17 23.431 -6.770 -0.663
139 HB2 HIS 17 HB2 HIS 17 21.761 -4.578 -1.913
140 HB3 HIS 17 HB1 HIS 17 21.407 -6.302 -1.980
141 HD2 HIS 17 HD2 HIS 17 22.549 -6.015 1.494
142 HE1 HIS 17 HE1 HIS 17 18.555 -4.654 1.725
143 HE2 HIS 17 HE2 HIS 17 20.562 -5.430 3.088
144 H GLY 18 HN GLY 18 24.010 -3.900 -2.661
145 HA2 GLY 18 HA2 GLY 18 24.381 -5.174 -5.134
146 HA3 GLY 18 HA1 GLY 18 25.096 -3.633 -4.672
147 H PHE 19 HN PHE 19 26.618 -4.587 -2.462
148 HA PHE 19 HA PHE 19 29.017 -5.301 -3.700
149 HB2 PHE 19 HB2 PHE 19 28.022 -5.121 -0.945
150 HB3 PHE 19 HB1 PHE 19 29.291 -6.324 -1.153
151 HD1 PHE 19 HD1 PHE 19 31.370 -5.529 -2.616
152 HD2 PHE 19 HD2 PHE 19 28.625 -2.892 -0.614
153 HE1 PHE 19 HE1 PHE 19 33.053 -3.717 -2.692
154 HE2 PHE 19 HE2 PHE 19 30.318 -1.076 -0.695
155 HZ PHE 19 HZ PHE 19 32.532 -1.490 -1.732
156 H SER 20 HN SER 20 26.565 -7.282 -2.139
157 HA SER 20 HA SER 20 27.805 -9.787 -2.342
158 HB2 SER 20 HB2 SER 20 24.900 -9.772 -2.828
159 HB3 SER 20 HB1 SER 20 25.823 -10.598 -1.574
160 HG SER 20 HG SER 20 24.663 -8.066 -1.614
161 H HIS 21 HN HIS 21 25.707 -8.036 -4.565
162 HA HIS 21 HA HIS 21 25.540 -9.940 -6.617
163 HB2 HIS 21 HB2 HIS 21 24.319 -7.655 -6.362
164 HB3 HIS 21 HB1 HIS 21 25.733 -6.989 -7.176
165 HD2 HIS 21 HD2 HIS 21 24.292 -10.487 -8.280
166 HE1 HIS 21 HE1 HIS 21 23.506 -7.685 -11.350
167 HE2 HIS 21 HE2 HIS 21 23.404 -10.153 -10.722
168 H VAL 22 HN VAL 22 27.856 -7.321 -6.047
169 HA VAL 22 HA VAL 22 29.486 -7.852 -8.319
170 HB VAL 22 HB VAL 22 30.264 -6.538 -5.698
171 HG11 VAL 22 HG11 VAL 22 31.792 -5.290 -7.437
172 HG12 VAL 22 HG12 VAL 22 31.502 -6.715 -8.435
173 HG13 VAL 22 HG13 VAL 22 32.268 -6.891 -6.859
174 HG21 VAL 22 HG21 VAL 22 28.841 -4.882 -6.287
175 HG22 VAL 22 HG22 VAL 22 28.425 -5.718 -7.781
176 HG23 VAL 22 HG23 VAL 22 29.805 -4.626 -7.741
177 H PHE 23 HN PHE 23 29.768 -8.707 -4.881
178 HA PHE 23 HA PHE 23 32.144 -10.152 -4.959
179 HB2 PHE 23 HB2 PHE 23 30.459 -9.542 -2.988
180 HB3 PHE 23 HB1 PHE 23 29.907 -11.193 -3.278
181 HD1 PHE 23 HD1 PHE 23 31.089 -12.993 -2.339
182 HD2 PHE 23 HD2 PHE 23 33.017 -9.176 -2.761
183 HE1 PHE 23 HE1 PHE 23 33.049 -13.844 -1.080
184 HE2 PHE 23 HE2 PHE 23 34.975 -10.021 -1.506
185 HZ PHE 23 HZ PHE 23 34.992 -12.354 -0.660
186 HN1 NH2 24 H1 PHE 23 28.815 -11.416 -5.514
187 HN2 NH2 24 H2 PHE 23 29.340 -12.833 -6.288
Start of MODEL 2
1 H1 VAL 1 HT1 VAL 1 6.259 8.981 5.569
2 H2 VAL 1 HT2 VAL 1 5.070 8.545 6.695
3 H3 VAL 1 HT3 VAL 1 5.840 7.349 5.774
4 HA VAL 1 HA VAL 1 7.503 9.078 7.442
5 HB VAL 1 HB VAL 1 5.829 6.763 8.483
6 HG11 VAL 1 HG11 VAL 1 8.162 8.302 9.629
7 HG12 VAL 1 HG12 VAL 1 7.918 6.554 9.568
8 HG13 VAL 1 HG13 VAL 1 6.967 7.538 10.683
9 HG21 VAL 1 HG21 VAL 1 5.839 9.742 9.023
10 HG22 VAL 1 HG22 VAL 1 5.076 8.582 10.107
11 HG23 VAL 1 HG23 VAL 1 4.495 8.758 8.454
12 H PHE 2 HN PHE 2 6.873 5.585 7.466
13 HA PHE 2 HA PHE 2 9.552 4.854 7.238
14 HB2 PHE 2 HB2 PHE 2 8.273 2.692 6.158
15 HB3 PHE 2 HB1 PHE 2 8.476 2.984 7.884
16 HD1 PHE 2 HD1 PHE 2 6.610 3.556 9.273
17 HD2 PHE 2 HD2 PHE 2 6.178 3.414 5.008
18 HE1 PHE 2 HE1 PHE 2 4.146 3.717 9.517
19 HE2 PHE 2 HE2 PHE 2 3.722 3.571 5.245
20 HZ PHE 2 HZ PHE 2 2.700 3.723 7.496
21 H GLN 3 HN GLN 3 7.193 5.530 4.747
22 HA GLN 3 HA GLN 3 8.499 4.442 2.523
23 HB2 GLN 3 HB2 GLN 3 7.017 7.073 2.459
24 HB3 GLN 3 HB1 GLN 3 7.181 5.884 1.168
25 HG2 GLN 3 HG2 GLN 3 5.096 5.278 1.906
26 HG3 GLN 3 HG1 GLN 3 6.051 4.311 3.030
27 HE21 GLN 3 HE21 GLN 3 3.456 6.323 3.005
28 HE22 GLN 3 HE22 GLN 3 3.596 7.006 4.553
29 H PHE 4 HN PHE 4 9.238 7.276 4.412
30 HA PHE 4 HA PHE 4 11.063 8.370 2.432
31 HB2 PHE 4 HB2 PHE 4 9.728 9.730 4.123
32 HB3 PHE 4 HB1 PHE 4 10.827 9.116 5.352
33 HD1 PHE 4 HD1 PHE 4 13.349 9.453 4.972
34 HD2 PHE 4 HD2 PHE 4 10.337 11.629 2.815
35 HE1 PHE 4 HE1 PHE 4 15.013 11.198 4.407
36 HE2 PHE 4 HE2 PHE 4 12.005 13.375 2.252
37 HZ PHE 4 HZ PHE 4 14.350 13.160 3.051
38 H LEU 5 HN LEU 5 11.454 7.221 5.777
39 HA LEU 5 HA LEU 5 14.244 6.946 5.675
40 HB2 LEU 5 HB2 LEU 5 13.275 4.966 7.441
41 HB3 LEU 5 HB1 LEU 5 13.883 6.564 7.843
42 HG LEU 5 HG LEU 5 11.023 6.172 6.961
43 HD11 LEU 5 HD11 LEU 5 12.127 5.994 9.777
44 HD12 LEU 5 HD12 LEU 5 11.387 4.675 8.866
45 HD13 LEU 5 HD13 LEU 5 10.414 6.063 9.358
46 HD21 LEU 5 HD21 LEU 5 12.074 8.208 8.911
47 HD22 LEU 5 HD22 LEU 5 10.687 8.325 7.831
48 HD23 LEU 5 HD23 LEU 5 12.322 8.453 7.184
49 H GLY 6 HN GLY 6 11.657 4.662 4.998
50 HA2 GLY 6 HA2 GLY 6 13.130 2.328 4.648
51 HA3 GLY 6 HA1 GLY 6 11.621 2.699 3.827
52 H LYS 7 HN LYS 7 12.427 4.924 2.304
53 HA LYS 7 HA LYS 7 13.751 3.574 0.176
54 HB2 LYS 7 HB2 LYS 7 12.455 5.079 -0.870
55 HB3 LYS 7 HB1 LYS 7 12.319 6.080 0.567
56 HG2 LYS 7 HG2 LYS 7 14.895 6.086 -0.971
57 HG3 LYS 7 HG1 LYS 7 13.529 7.011 -1.579
58 HD2 LYS 7 HD2 LYS 7 13.411 7.817 0.963
59 HD3 LYS 7 HD1 LYS 7 15.126 7.410 0.906
60 HE2 LYS 7 HE2 LYS 7 14.772 9.769 0.303
61 HE3 LYS 7 HE1 LYS 7 15.412 8.868 -1.067
62 HZ1 LYS 7 HZ1 LYS 7 13.625 9.409 -2.239
63 HZ2 LYS 7 HZ2 LYS 7 13.050 10.339 -0.941
64 HZ3 LYS 7 HZ3 LYS 7 12.601 8.710 -1.084
65 H ILE 8 HN ILE 8 14.704 5.705 2.747
66 HA ILE 8 HA ILE 8 17.238 6.464 1.676
67 HB ILE 8 HB ILE 8 16.309 6.338 4.563
68 HG12 ILE 8 HG12 ILE 8 15.062 7.838 2.854
69 HG13 ILE 8 HG11 ILE 8 15.630 8.586 4.343
70 HG21 ILE 8 HG21 ILE 8 18.148 8.147 4.744
71 HG22 ILE 8 HG22 ILE 8 18.748 7.495 3.219
72 HG23 ILE 8 HG23 ILE 8 18.658 6.461 4.647
73 HD11 ILE 8 HD11 ILE 8 17.110 8.631 1.699
74 HD12 ILE 8 HD12 ILE 8 17.614 9.428 3.189
75 HD13 ILE 8 HD13 ILE 8 16.158 9.962 2.354
76 H ILE 9 HN ILE 9 16.329 4.068 4.173
77 HA ILE 9 HA ILE 9 18.893 2.956 4.492
78 HB ILE 9 HB ILE 9 17.551 0.867 5.209
79 HG12 ILE 9 HG12 ILE 9 15.170 2.332 5.765
80 HG13 ILE 9 HG11 ILE 9 15.486 2.451 4.039
81 HG21 ILE 9 HG21 ILE 9 16.941 3.480 6.604
82 HG22 ILE 9 HG22 ILE 9 18.504 2.674 6.696
83 HG23 ILE 9 HG23 ILE 9 17.065 1.885 7.342
84 HD11 ILE 9 HD11 ILE 9 15.842 -0.055 4.016
85 HD12 ILE 9 HD12 ILE 9 14.189 0.450 4.371
86 HD13 ILE 9 HD13 ILE 9 15.251 -0.081 5.679
87 H HIS 10 HN HIS 10 16.354 2.348 2.221
88 HA HIS 10 HA HIS 10 17.200 -0.051 1.086
89 HB2 HIS 10 HB2 HIS 10 15.064 1.399 0.642
90 HB3 HIS 10 HB1 HIS 10 16.043 2.125 -0.628
91 HD2 HIS 10 HD2 HIS 10 17.245 -1.378 -0.655
92 HE1 HIS 10 HE1 HIS 10 13.783 -1.511 -3.064
93 HE2 HIS 10 HE2 HIS 10 15.876 -2.778 -2.379
94 H HIS 11 HN HIS 11 18.344 3.257 0.514
95 HA HIS 11 HA HIS 11 19.882 2.581 -1.816
96 HB2 HIS 11 HB2 HIS 11 19.662 4.936 0.008
97 HB3 HIS 11 HB1 HIS 11 21.129 4.785 -0.954
98 HD2 HIS 11 HD2 HIS 11 17.239 4.533 -1.831
99 HE1 HIS 11 HE1 HIS 11 19.289 6.489 -4.972
100 HE2 HIS 11 HE2 HIS 11 17.003 5.694 -4.165
101 H VAL 12 HN VAL 12 20.443 2.875 1.605
102 HA VAL 12 HA VAL 12 23.211 2.356 1.631
103 HB VAL 12 HB VAL 12 21.558 1.503 3.933
104 HG11 VAL 12 HG11 VAL 12 24.070 1.861 3.906
105 HG12 VAL 12 HG12 VAL 12 23.211 2.777 5.146
106 HG13 VAL 12 HG13 VAL 12 23.744 3.578 3.671
107 HG21 VAL 12 HG21 VAL 12 21.089 3.942 4.477
108 HG22 VAL 12 HG22 VAL 12 20.135 3.288 3.151
109 HG23 VAL 12 HG23 VAL 12 21.519 4.321 2.809
110 H GLY 13 HN GLY 13 20.364 0.320 2.124
111 HA2 GLY 13 HA2 GLY 13 21.712 -2.125 2.547
112 HA3 GLY 13 HA1 GLY 13 20.064 -1.964 1.946
113 H ASN 14 HN ASN 14 20.575 -0.499 -0.363
114 HA ASN 14 HA ASN 14 21.100 -2.499 -2.240
115 HB2 ASN 14 HB2 ASN 14 20.188 -0.922 -3.539
116 HB3 ASN 14 HB1 ASN 14 20.410 0.283 -2.276
117 HD21 ASN 14 HD21 ASN 14 22.609 1.364 -2.212
118 HD22 ASN 14 HD22 ASN 14 23.448 1.553 -3.681
119 H PHE 15 HN PHE 15 23.273 -0.310 -0.575
120 HA PHE 15 HA PHE 15 25.474 -0.633 -2.367
121 HB2 PHE 15 HB2 PHE 15 24.995 0.628 0.255
122 HB3 PHE 15 HB1 PHE 15 26.598 -0.078 0.093
123 HD1 PHE 15 HD1 PHE 15 24.312 2.524 -1.111
124 HD2 PHE 15 HD2 PHE 15 28.153 0.687 -1.654
125 HE1 PHE 15 HE1 PHE 15 25.037 4.457 -2.481
126 HE2 PHE 15 HE2 PHE 15 28.885 2.620 -3.029
127 HZ PHE 15 HZ PHE 15 27.326 4.507 -3.439
128 H VAL 16 HN VAL 16 24.422 -2.076 0.636
129 HA VAL 16 HA VAL 16 26.546 -3.915 0.925
130 HB VAL 16 HB VAL 16 23.924 -4.652 2.021
131 HG11 VAL 16 HG11 VAL 16 25.184 -4.995 3.983
132 HG12 VAL 16 HG12 VAL 16 26.396 -3.803 3.516
133 HG13 VAL 16 HG13 VAL 16 26.334 -5.364 2.700
134 HG21 VAL 16 HG21 VAL 16 24.015 -2.696 3.650
135 HG22 VAL 16 HG22 VAL 16 23.485 -2.301 2.022
136 HG23 VAL 16 HG23 VAL 16 25.128 -1.921 2.525
137 H HIS 17 HN HIS 17 23.232 -4.205 -0.270
138 HA HIS 17 HA HIS 17 23.471 -6.912 -1.067
139 HB2 HIS 17 HB2 HIS 17 21.513 -4.762 -1.387
140 HB3 HIS 17 HB1 HIS 17 21.616 -5.798 -2.808
141 HD2 HIS 17 HD2 HIS 17 22.395 -8.306 -0.256
142 HE1 HIS 17 HE1 HIS 17 18.189 -8.041 -0.030
143 HE2 HIS 17 HE2 HIS 17 20.214 -9.425 0.632
144 H GLY 18 HN GLY 18 23.970 -3.833 -2.764
145 HA2 GLY 18 HA2 GLY 18 24.535 -4.858 -5.315
146 HA3 GLY 18 HA1 GLY 18 25.169 -3.342 -4.667
147 H PHE 19 HN PHE 19 26.688 -4.090 -2.577
148 HA PHE 19 HA PHE 19 29.093 -4.970 -3.713
149 HB2 PHE 19 HB2 PHE 19 28.098 -4.439 -0.988
150 HB3 PHE 19 HB1 PHE 19 29.396 -5.629 -1.067
151 HD1 PHE 19 HD1 PHE 19 31.343 -4.951 -2.815
152 HD2 PHE 19 HD2 PHE 19 28.739 -2.201 -0.789
153 HE1 PHE 19 HE1 PHE 19 33.000 -3.139 -3.148
154 HE2 PHE 19 HE2 PHE 19 30.398 -0.387 -1.122
155 HZ PHE 19 HZ PHE 19 32.529 -0.858 -2.298
156 H SER 20 HN SER 20 26.693 -6.684 -1.791
157 HA SER 20 HA SER 20 27.912 -9.219 -1.815
158 HB2 SER 20 HB2 SER 20 24.928 -8.835 -1.900
159 HB3 SER 20 HB1 SER 20 25.852 -10.081 -1.065
160 HG SER 20 HG SER 20 25.853 -7.282 -0.461
161 H HIS 21 HN HIS 21 25.811 -7.576 -4.076
162 HA HIS 21 HA HIS 21 25.360 -9.780 -5.807
163 HB2 HIS 21 HB2 HIS 21 24.409 -7.197 -5.647
164 HB3 HIS 21 HB1 HIS 21 25.416 -7.135 -7.089
165 HD2 HIS 21 HD2 HIS 21 22.037 -7.214 -7.253
166 HE1 HIS 21 HE1 HIS 21 22.697 -11.044 -8.906
167 HE2 HIS 21 HE2 HIS 21 20.997 -9.171 -8.629
168 H VAL 22 HN VAL 22 27.654 -7.067 -5.918
169 HA VAL 22 HA VAL 22 28.976 -7.956 -8.276
170 HB VAL 22 HB VAL 22 29.945 -6.120 -6.070
171 HG11 VAL 22 HG11 VAL 22 31.458 -5.268 -7.882
172 HG12 VAL 22 HG12 VAL 22 30.942 -6.625 -8.888
173 HG13 VAL 22 HG13 VAL 22 31.824 -6.923 -7.384
174 HG21 VAL 22 HG21 VAL 22 29.062 -4.332 -7.359
175 HG22 VAL 22 HG22 VAL 22 27.792 -5.552 -7.410
176 HG23 VAL 22 HG23 VAL 22 28.870 -5.343 -8.788
177 H PHE 23 HN PHE 23 29.854 -8.172 -4.826
178 HA PHE 23 HA PHE 23 32.074 -9.962 -5.477
179 HB2 PHE 23 HB2 PHE 23 31.088 -8.806 -2.860
180 HB3 PHE 23 HB1 PHE 23 32.465 -9.899 -2.996
181 HD1 PHE 23 HD1 PHE 23 34.615 -9.040 -3.490
182 HD2 PHE 23 HD2 PHE 23 31.130 -6.661 -4.319
183 HE1 PHE 23 HE1 PHE 23 36.068 -7.120 -4.073
184 HE2 PHE 23 HE2 PHE 23 32.588 -4.742 -4.903
185 HZ PHE 23 HZ PHE 23 35.050 -4.962 -4.774
186 HN1 NH2 24 H1 PHE 23 29.047 -10.703 -5.644
187 HN2 NH2 24 H2 PHE 23 28.965 -12.160 -4.783
Start of MODEL 3
1 H1 VAL 1 HT1 VAL 1 5.639 9.881 5.891
2 H2 VAL 1 HT2 VAL 1 5.325 8.416 5.098
3 H3 VAL 1 HT3 VAL 1 6.874 9.104 5.049
4 HA VAL 1 HA VAL 1 6.821 8.909 7.580
5 HB VAL 1 HB VAL 1 5.475 6.700 8.085
6 HG11 VAL 1 HG11 VAL 1 4.119 9.391 7.770
7 HG12 VAL 1 HG12 VAL 1 5.068 8.866 9.159
8 HG13 VAL 1 HG13 VAL 1 3.543 8.068 8.783
9 HG21 VAL 1 HG21 VAL 1 3.745 7.895 5.902
10 HG22 VAL 1 HG22 VAL 1 3.463 6.409 6.805
11 HG23 VAL 1 HG23 VAL 1 4.781 6.490 5.637
12 H PHE 2 HN PHE 2 6.232 5.663 6.955
13 HA PHE 2 HA PHE 2 8.907 4.906 7.038
14 HB2 PHE 2 HB2 PHE 2 7.546 2.873 5.612
15 HB3 PHE 2 HB1 PHE 2 7.926 2.917 7.331
16 HD1 PHE 2 HD1 PHE 2 5.340 3.470 4.790
17 HD2 PHE 2 HD2 PHE 2 6.281 3.747 8.971
18 HE1 PHE 2 HE1 PHE 2 2.933 3.717 5.317
19 HE2 PHE 2 HE2 PHE 2 3.872 3.993 9.497
20 HZ PHE 2 HZ PHE 2 2.193 3.971 7.670
21 H GLN 3 HN GLN 3 6.827 5.409 4.247
22 HA GLN 3 HA GLN 3 8.451 4.453 2.219
23 HB2 GLN 3 HB2 GLN 3 6.634 6.873 2.228
24 HB3 GLN 3 HB1 GLN 3 7.377 6.211 0.774
25 HG2 GLN 3 HG2 GLN 3 5.676 4.553 2.647
26 HG3 GLN 3 HG1 GLN 3 5.024 5.383 1.238
27 HE21 GLN 3 HE21 GLN 3 5.600 4.567 -0.881
28 HE22 GLN 3 HE22 GLN 3 6.377 3.072 -1.081
29 H PHE 4 HN PHE 4 8.832 7.313 4.163
30 HA PHE 4 HA PHE 4 10.753 8.564 2.417
31 HB2 PHE 4 HB2 PHE 4 9.231 9.428 4.522
32 HB3 PHE 4 HB1 PHE 4 10.815 9.270 5.277
33 HD1 PHE 4 HD1 PHE 4 8.733 11.428 3.426
34 HD2 PHE 4 HD2 PHE 4 12.833 10.206 3.795
35 HE1 PHE 4 HE1 PHE 4 9.448 13.533 2.337
36 HE2 PHE 4 HE2 PHE 4 13.547 12.316 2.706
37 HZ PHE 4 HZ PHE 4 11.855 13.980 1.978
38 H LEU 5 HN LEU 5 11.043 7.177 5.671
39 HA LEU 5 HA LEU 5 13.873 7.023 5.616
40 HB2 LEU 5 HB2 LEU 5 13.069 5.179 7.516
41 HB3 LEU 5 HB1 LEU 5 13.384 6.888 7.797
42 HG LEU 5 HG LEU 5 10.677 6.049 6.798
43 HD11 LEU 5 HD11 LEU 5 11.501 5.997 9.708
44 HD12 LEU 5 HD12 LEU 5 11.278 4.557 8.719
45 HD13 LEU 5 HD13 LEU 5 9.914 5.625 9.046
46 HD21 LEU 5 HD21 LEU 5 11.435 8.138 8.852
47 HD22 LEU 5 HD22 LEU 5 9.974 8.051 7.870
48 HD23 LEU 5 HD23 LEU 5 11.515 8.470 7.123
49 H GLY 6 HN GLY 6 11.340 4.718 4.899
50 HA2 GLY 6 HA2 GLY 6 12.716 2.333 4.981
51 HA3 GLY 6 HA1 GLY 6 11.377 2.650 3.890
52 H LYS 7 HN LYS 7 12.520 4.511 2.134
53 HA LYS 7 HA LYS 7 14.142 2.738 0.594
54 HB2 LYS 7 HB2 LYS 7 14.453 5.021 -0.792
55 HB3 LYS 7 HB1 LYS 7 13.068 3.958 -0.971
56 HG2 LYS 7 HG2 LYS 7 11.919 5.901 -0.621
57 HG3 LYS 7 HG1 LYS 7 12.175 5.499 1.066
58 HD2 LYS 7 HD2 LYS 7 13.979 6.993 1.286
59 HD3 LYS 7 HD1 LYS 7 14.225 7.092 -0.455
60 HE2 LYS 7 HE2 LYS 7 12.631 8.783 1.215
61 HE3 LYS 7 HE1 LYS 7 12.906 8.914 -0.519
62 HZ1 LYS 7 HZ1 LYS 7 10.543 8.678 0.128
63 HZ2 LYS 7 HZ2 LYS 7 10.878 7.113 0.705
64 HZ3 LYS 7 HZ3 LYS 7 11.070 7.479 -0.947
65 H ILE 8 HN ILE 8 14.782 5.401 2.724
66 HA ILE 8 HA ILE 8 17.416 5.976 1.902
67 HB ILE 8 HB ILE 8 16.270 6.153 4.697
68 HG12 ILE 8 HG12 ILE 8 14.978 7.368 2.884
69 HG13 ILE 8 HG11 ILE 8 15.640 8.417 4.130
70 HG21 ILE 8 HG21 ILE 8 18.630 7.502 3.351
71 HG22 ILE 8 HG22 ILE 8 18.703 6.355 4.684
72 HG23 ILE 8 HG23 ILE 8 17.998 7.951 4.932
73 HD11 ILE 8 HD11 ILE 8 17.051 7.864 1.500
74 HD12 ILE 8 HD12 ILE 8 17.479 9.071 2.709
75 HD13 ILE 8 HD13 ILE 8 16.004 9.255 1.767
76 H ILE 9 HN ILE 9 16.298 3.841 4.564
77 HA ILE 9 HA ILE 9 18.842 2.834 5.232
78 HB ILE 9 HB ILE 9 17.302 0.697 5.808
79 HG12 ILE 9 HG12 ILE 9 15.220 2.720 6.320
80 HG13 ILE 9 HG11 ILE 9 15.445 2.356 4.613
81 HG21 ILE 9 HG21 ILE 9 18.288 1.701 7.635
82 HG22 ILE 9 HG22 ILE 9 16.616 2.180 7.904
83 HG23 ILE 9 HG23 ILE 9 17.750 3.316 7.181
84 HD11 ILE 9 HD11 ILE 9 13.838 0.895 6.163
85 HD12 ILE 9 HD12 ILE 9 15.353 0.049 6.488
86 HD13 ILE 9 HD13 ILE 9 14.754 0.185 4.832
87 H HIS 10 HN HIS 10 16.551 1.995 2.773
88 HA HIS 10 HA HIS 10 17.797 -0.421 1.920
89 HB2 HIS 10 HB2 HIS 10 15.416 0.151 1.445
90 HB3 HIS 10 HB1 HIS 10 15.968 1.419 0.352
91 HD2 HIS 10 HD2 HIS 10 18.066 -1.835 0.135
92 HE1 HIS 10 HE1 HIS 10 15.396 -1.842 -3.140
93 HE2 HIS 10 HE2 HIS 10 17.426 -2.989 -2.120
94 H HIS 11 HN HIS 11 18.213 2.995 1.109
95 HA HIS 11 HA HIS 11 19.713 2.579 -1.273
96 HB2 HIS 11 HB2 HIS 11 19.219 4.853 0.588
97 HB3 HIS 11 HB1 HIS 11 20.663 4.945 -0.417
98 HD2 HIS 11 HD2 HIS 11 17.121 3.559 -1.586
99 HE1 HIS 11 HE1 HIS 11 18.252 6.773 -4.090
100 HE2 HIS 11 HE2 HIS 11 16.495 4.972 -3.696
101 H VAL 12 HN VAL 12 20.517 2.985 2.113
102 HA VAL 12 HA VAL 12 23.312 2.927 1.858
103 HB VAL 12 HB VAL 12 22.203 1.700 4.270
104 HG11 VAL 12 HG11 VAL 12 23.287 3.995 5.093
105 HG12 VAL 12 HG12 VAL 12 24.017 3.936 3.490
106 HG13 VAL 12 HG13 VAL 12 24.292 2.621 4.633
107 HG21 VAL 12 HG21 VAL 12 21.141 3.931 4.967
108 HG22 VAL 12 HG22 VAL 12 20.223 2.919 3.857
109 HG23 VAL 12 HG23 VAL 12 21.105 4.318 3.242
110 H GLY 13 HN GLY 13 20.898 0.444 2.482
111 HA2 GLY 13 HA2 GLY 13 22.666 -1.773 2.599
112 HA3 GLY 13 HA1 GLY 13 20.935 -1.857 2.291
113 H ASN 14 HN ASN 14 20.902 -0.180 0.001
114 HA ASN 14 HA ASN 14 21.250 -2.006 -2.064
115 HB2 ASN 14 HB2 ASN 14 19.982 0.279 -2.008
116 HB3 ASN 14 HB1 ASN 14 21.506 0.930 -2.603
117 HD21 ASN 14 HD21 ASN 14 22.350 -1.196 -4.277
118 HD22 ASN 14 HD22 ASN 14 21.252 -1.335 -5.563
119 H PHE 15 HN PHE 15 23.592 0.225 -0.662
120 HA PHE 15 HA PHE 15 25.467 0.013 -2.826
121 HB2 PHE 15 HB2 PHE 15 25.449 1.177 -0.083
122 HB3 PHE 15 HB1 PHE 15 27.022 0.709 -0.726
123 HD1 PHE 15 HD1 PHE 15 28.184 2.374 -1.872
124 HD2 PHE 15 HD2 PHE 15 23.893 2.378 -1.990
125 HE1 PHE 15 HE1 PHE 15 28.224 4.429 -3.260
126 HE2 PHE 15 HE2 PHE 15 23.929 4.431 -3.379
127 HZ PHE 15 HZ PHE 15 26.099 5.459 -4.011
128 H VAL 16 HN VAL 16 24.905 -1.452 0.278
129 HA VAL 16 HA VAL 16 27.104 -3.230 0.288
130 HB VAL 16 HB VAL 16 24.606 -3.937 1.725
131 HG11 VAL 16 HG11 VAL 16 26.235 -4.181 3.574
132 HG12 VAL 16 HG12 VAL 16 27.497 -3.524 2.534
133 HG13 VAL 16 HG13 VAL 16 26.747 -5.073 2.139
134 HG21 VAL 16 HG21 VAL 16 24.370 -1.565 1.888
135 HG22 VAL 16 HG22 VAL 16 26.101 -1.328 2.089
136 HG23 VAL 16 HG23 VAL 16 25.150 -2.049 3.389
137 H HIS 17 HN HIS 17 23.741 -3.424 -0.663
138 HA HIS 17 HA HIS 17 23.596 -6.145 -1.350
139 HB2 HIS 17 HB2 HIS 17 21.594 -4.725 -1.241
140 HB3 HIS 17 HB1 HIS 17 22.182 -3.775 -2.604
141 HD2 HIS 17 HD2 HIS 17 21.354 -4.734 -5.031
142 HE1 HIS 17 HE1 HIS 17 20.284 -8.632 -3.814
143 HE2 HIS 17 HE2 HIS 17 20.305 -7.005 -5.772
144 H GLY 18 HN GLY 18 24.589 -3.291 -3.200
145 HA2 GLY 18 HA2 GLY 18 25.081 -4.587 -5.656
146 HA3 GLY 18 HA1 GLY 18 25.845 -3.094 -5.117
147 H PHE 19 HN PHE 19 27.209 -3.779 -2.925
148 HA PHE 19 HA PHE 19 29.558 -4.972 -3.860
149 HB2 PHE 19 HB2 PHE 19 29.509 -3.551 -1.864
150 HB3 PHE 19 HB1 PHE 19 28.509 -4.733 -1.027
151 HD1 PHE 19 HD1 PHE 19 29.700 -5.861 0.614
152 HD2 PHE 19 HD2 PHE 19 31.632 -4.958 -3.116
153 HE1 PHE 19 HE1 PHE 19 31.725 -7.062 1.377
154 HE2 PHE 19 HE2 PHE 19 33.659 -6.163 -2.352
155 HZ PHE 19 HZ PHE 19 33.708 -7.216 -0.111
156 H SER 20 HN SER 20 26.810 -6.284 -2.122
157 HA SER 20 HA SER 20 27.814 -8.934 -1.873
158 HB2 SER 20 HB2 SER 20 24.879 -8.273 -1.984
159 HB3 SER 20 HB1 SER 20 25.694 -9.514 -1.036
160 HG SER 20 HG SER 20 26.069 -6.704 -0.682
161 H HIS 21 HN HIS 21 25.858 -7.211 -4.214
162 HA HIS 21 HA HIS 21 25.046 -9.337 -5.843
163 HB2 HIS 21 HB2 HIS 21 24.645 -6.662 -5.891
164 HB3 HIS 21 HB1 HIS 21 25.818 -6.807 -7.196
165 HD2 HIS 21 HD2 HIS 21 22.519 -6.250 -7.776
166 HE1 HIS 21 HE1 HIS 21 22.670 -10.165 -9.375
167 HE2 HIS 21 HE2 HIS 21 21.323 -8.006 -9.315
168 H VAL 22 HN VAL 22 28.056 -7.474 -5.784
169 HA VAL 22 HA VAL 22 29.198 -8.477 -8.138
170 HB VAL 22 HB VAL 22 30.696 -7.844 -5.581
171 HG11 VAL 22 HG11 VAL 22 32.480 -7.197 -7.146
172 HG12 VAL 22 HG12 VAL 22 31.444 -7.594 -8.516
173 HG13 VAL 22 HG13 VAL 22 32.002 -8.869 -7.431
174 HG21 VAL 22 HG21 VAL 22 30.824 -5.548 -6.948
175 HG22 VAL 22 HG22 VAL 22 29.512 -5.872 -5.818
176 HG23 VAL 22 HG23 VAL 22 29.263 -6.102 -7.548
177 H PHE 23 HN PHE 23 29.127 -9.745 -4.841
178 HA PHE 23 HA PHE 23 30.773 -12.020 -5.322
179 HB2 PHE 23 HB2 PHE 23 28.802 -11.229 -3.201
180 HB3 PHE 23 HB1 PHE 23 29.346 -12.903 -3.277
181 HD1 PHE 23 HD1 PHE 23 30.311 -9.437 -2.594
182 HD2 PHE 23 HD2 PHE 23 31.732 -13.475 -2.952
183 HE1 PHE 23 HE1 PHE 23 32.416 -8.795 -1.460
184 HE2 PHE 23 HE2 PHE 23 33.843 -12.830 -1.817
185 HZ PHE 23 HZ PHE 23 34.185 -10.491 -1.071
186 HN1 NH2 24 H1 PHE 23 27.450 -11.295 -6.116
187 HN2 NH2 24 H2 PHE 23 27.042 -12.849 -6.665
Start of MODEL 4
1 H1 VAL 1 HT1 VAL 1 7.317 10.499 3.173
2 H2 VAL 1 HT2 VAL 1 5.635 10.387 2.991
3 H3 VAL 1 HT3 VAL 1 6.602 8.993 2.877
4 HA VAL 1 HA VAL 1 6.675 10.583 5.327
5 HB VAL 1 HB VAL 1 4.266 10.282 4.793
6 HG11 VAL 1 HG11 VAL 1 4.103 8.364 3.460
7 HG12 VAL 1 HG12 VAL 1 3.433 7.846 5.005
8 HG13 VAL 1 HG13 VAL 1 5.076 7.392 4.565
9 HG21 VAL 1 HG21 VAL 1 5.641 9.369 7.161
10 HG22 VAL 1 HG22 VAL 1 4.164 8.431 6.937
11 HG23 VAL 1 HG23 VAL 1 4.088 10.188 7.029
12 H PHE 2 HN PHE 2 5.786 7.665 6.270
13 HA PHE 2 HA PHE 2 8.277 6.800 7.118
14 HB2 PHE 2 HB2 PHE 2 7.227 4.755 7.795
15 HB3 PHE 2 HB1 PHE 2 6.030 6.033 7.996
16 HD1 PHE 2 HD1 PHE 2 4.040 6.124 6.594
17 HD2 PHE 2 HD2 PHE 2 7.109 3.195 5.894
18 HE1 PHE 2 HE1 PHE 2 2.526 4.896 5.050
19 HE2 PHE 2 HE2 PHE 2 5.600 1.976 4.358
20 HZ PHE 2 HZ PHE 2 3.314 2.822 3.933
21 H GLN 3 HN GLN 3 6.562 5.893 4.178
22 HA GLN 3 HA GLN 3 8.125 3.737 3.393
23 HB2 GLN 3 HB2 GLN 3 7.512 5.406 1.094
24 HB3 GLN 3 HB1 GLN 3 6.925 3.798 1.499
25 HG2 GLN 3 HG2 GLN 3 4.939 4.970 1.579
26 HG3 GLN 3 HG1 GLN 3 5.448 5.181 3.254
27 HE21 GLN 3 HE21 GLN 3 4.438 6.887 0.516
28 HE22 GLN 3 HE22 GLN 3 5.023 8.421 0.949
29 H PHE 4 HN PHE 4 8.965 7.111 3.485
30 HA PHE 4 HA PHE 4 11.187 6.817 1.658
31 HB2 PHE 4 HB2 PHE 4 10.651 9.037 3.649
32 HB3 PHE 4 HB1 PHE 4 11.736 9.089 2.260
33 HD1 PHE 4 HD1 PHE 4 9.611 11.138 2.526
34 HD2 PHE 4 HD2 PHE 4 9.438 7.210 0.763
35 HE1 PHE 4 HE1 PHE 4 7.752 11.865 1.056
36 HE2 PHE 4 HE2 PHE 4 7.580 7.948 -0.696
37 HZ PHE 4 HZ PHE 4 6.738 10.273 -0.546
38 H LEU 5 HN LEU 5 10.615 6.818 5.100
39 HA LEU 5 HA LEU 5 13.240 6.875 6.056
40 HB2 LEU 5 HB2 LEU 5 10.772 5.499 7.144
41 HB3 LEU 5 HB1 LEU 5 12.287 5.617 8.024
42 HG LEU 5 HG LEU 5 10.406 7.407 8.426
43 HD11 LEU 5 HD11 LEU 5 12.604 7.563 9.449
44 HD12 LEU 5 HD12 LEU 5 12.162 9.143 8.812
45 HD13 LEU 5 HD13 LEU 5 13.308 8.129 7.937
46 HD21 LEU 5 HD21 LEU 5 10.057 8.011 6.079
47 HD22 LEU 5 HD22 LEU 5 11.740 8.506 5.941
48 HD23 LEU 5 HD23 LEU 5 10.642 9.396 6.989
49 H GLY 6 HN GLY 6 11.242 4.244 4.855
50 HA2 GLY 6 HA2 GLY 6 12.954 2.098 5.533
51 HA3 GLY 6 HA1 GLY 6 11.741 2.084 4.255
52 H LYS 7 HN LYS 7 12.782 4.240 2.715
53 HA LYS 7 HA LYS 7 14.725 2.832 1.197
54 HB2 LYS 7 HB2 LYS 7 13.738 4.138 -0.344
55 HB3 LYS 7 HB1 LYS 7 13.100 5.222 0.884
56 HG2 LYS 7 HG2 LYS 7 16.017 5.396 0.196
57 HG3 LYS 7 HG1 LYS 7 14.837 6.095 -0.912
58 HD2 LYS 7 HD2 LYS 7 13.859 7.391 0.951
59 HD3 LYS 7 HD1 LYS 7 15.069 6.736 2.049
60 HE2 LYS 7 HE2 LYS 7 15.386 8.740 -0.157
61 HE3 LYS 7 HE1 LYS 7 16.082 8.738 1.457
62 HZ1 LYS 7 HZ1 LYS 7 16.872 6.802 -0.650
63 HZ2 LYS 7 HZ2 LYS 7 17.648 7.088 0.831
64 HZ3 LYS 7 HZ3 LYS 7 17.680 8.268 -0.388
65 H ILE 8 HN ILE 8 14.862 5.329 3.629
66 HA ILE 8 HA ILE 8 17.422 6.349 3.190
67 HB ILE 8 HB ILE 8 16.097 5.796 5.861
68 HG12 ILE 8 HG12 ILE 8 14.825 7.236 4.151
69 HG13 ILE 8 HG11 ILE 8 15.158 7.998 5.701
70 HG21 ILE 8 HG21 ILE 8 17.689 8.106 5.998
71 HG22 ILE 8 HG22 ILE 8 18.673 6.945 5.116
72 HG23 ILE 8 HG23 ILE 8 18.057 6.539 6.715
73 HD11 ILE 8 HD11 ILE 8 17.037 8.309 3.356
74 HD12 ILE 8 HD12 ILE 8 16.926 9.306 4.804
75 HD13 ILE 8 HD13 ILE 8 15.658 9.386 3.580
76 H ILE 9 HN ILE 9 16.505 3.616 5.311
77 HA ILE 9 HA ILE 9 19.229 2.838 5.743
78 HB ILE 9 HB ILE 9 17.947 0.659 6.541
79 HG12 ILE 9 HG12 ILE 9 15.704 2.444 7.183
80 HG13 ILE 9 HG11 ILE 9 15.823 2.091 5.462
81 HG21 ILE 9 HG21 ILE 9 17.369 1.981 8.682
82 HG22 ILE 9 HG22 ILE 9 18.003 3.388 7.827
83 HG23 ILE 9 HG23 ILE 9 19.048 2.003 8.143
84 HD11 ILE 9 HD11 ILE 9 15.776 -0.285 5.874
85 HD12 ILE 9 HD12 ILE 9 14.430 0.444 6.746
86 HD13 ILE 9 HD13 ILE 9 15.888 -0.027 7.616
87 H HIS 10 HN HIS 10 16.661 1.853 3.610
88 HA HIS 10 HA HIS 10 17.870 -0.502 2.621
89 HB2 HIS 10 HB2 HIS 10 15.425 0.242 2.444
90 HB3 HIS 10 HB1 HIS 10 15.946 1.207 1.065
91 HD2 HIS 10 HD2 HIS 10 17.840 -2.130 1.206
92 HE1 HIS 10 HE1 HIS 10 14.641 -2.695 -1.485
93 HE2 HIS 10 HE2 HIS 10 16.787 -3.709 -0.583
94 H HIS 11 HN HIS 11 18.142 2.888 1.610
95 HA HIS 11 HA HIS 11 19.332 2.354 -0.914
96 HB2 HIS 11 HB2 HIS 11 19.020 4.710 0.864
97 HB3 HIS 11 HB1 HIS 11 20.339 4.774 -0.308
98 HD2 HIS 11 HD2 HIS 11 17.397 2.778 -1.727
99 HE1 HIS 11 HE1 HIS 11 16.985 6.696 -3.245
100 HE2 HIS 11 HE2 HIS 11 16.171 4.300 -3.460
101 H VAL 12 HN VAL 12 20.585 2.869 2.305
102 HA VAL 12 HA VAL 12 23.312 2.935 1.648
103 HB VAL 12 HB VAL 12 22.624 1.774 4.240
104 HG11 VAL 12 HG11 VAL 12 24.738 2.829 3.992
105 HG12 VAL 12 HG12 VAL 12 23.771 3.961 4.937
106 HG13 VAL 12 HG13 VAL 12 24.023 4.244 3.214
107 HG21 VAL 12 HG21 VAL 12 21.280 4.319 3.306
108 HG22 VAL 12 HG22 VAL 12 21.527 3.942 5.012
109 HG23 VAL 12 HG23 VAL 12 20.519 2.897 4.014
110 H GLY 13 HN GLY 13 21.172 0.353 2.713
111 HA2 GLY 13 HA2 GLY 13 23.101 -1.730 2.678
112 HA3 GLY 13 HA1 GLY 13 21.356 -1.943 2.682
113 H ASN 14 HN ASN 14 20.810 -0.503 0.289
114 HA ASN 14 HA ASN 14 20.947 -2.518 -1.626
115 HB2 ASN 14 HB2 ASN 14 19.403 -0.569 -1.701
116 HB3 ASN 14 HB1 ASN 14 20.758 0.444 -2.199
117 HD21 ASN 14 HD21 ASN 14 21.225 0.478 -4.433
118 HD22 ASN 14 HD22 ASN 14 20.559 -0.599 -5.562
119 H PHE 15 HN PHE 15 23.316 -0.003 -0.920
120 HA PHE 15 HA PHE 15 24.786 -0.366 -3.359
121 HB2 PHE 15 HB2 PHE 15 25.388 0.983 -0.730
122 HB3 PHE 15 HB1 PHE 15 26.626 0.810 -1.975
123 HD1 PHE 15 HD1 PHE 15 23.881 2.769 -0.825
124 HD2 PHE 15 HD2 PHE 15 25.987 1.616 -4.388
125 HE1 PHE 15 HE1 PHE 15 22.937 4.729 -2.014
126 HE2 PHE 15 HE2 PHE 15 25.043 3.580 -5.574
127 HZ PHE 15 HZ PHE 15 23.520 5.136 -4.389
128 H VAL 16 HN VAL 16 24.890 -1.556 -0.101
129 HA VAL 16 HA VAL 16 27.271 -3.056 -0.317
130 HB VAL 16 HB VAL 16 25.128 -3.942 1.522
131 HG11 VAL 16 HG11 VAL 16 28.045 -3.187 1.725
132 HG12 VAL 16 HG12 VAL 16 27.342 -4.800 1.826
133 HG13 VAL 16 HG13 VAL 16 27.068 -3.638 3.124
134 HG21 VAL 16 HG21 VAL 16 24.579 -1.608 1.512
135 HG22 VAL 16 HG22 VAL 16 26.274 -1.133 1.522
136 HG23 VAL 16 HG23 VAL 16 25.556 -1.873 2.954
137 H HIS 17 HN HIS 17 23.852 -3.770 -0.667
138 HA HIS 17 HA HIS 17 24.051 -6.534 -1.160
139 HB2 HIS 17 HB2 HIS 17 21.966 -4.804 -0.933
140 HB3 HIS 17 HB1 HIS 17 21.986 -5.041 -2.680
141 HD2 HIS 17 HD2 HIS 17 20.351 -7.170 -3.283
142 HE1 HIS 17 HE1 HIS 17 21.160 -9.553 0.109
143 HE2 HIS 17 HE2 HIS 17 19.880 -9.447 -2.086
144 H GLY 18 HN GLY 18 24.174 -3.724 -3.329
145 HA2 GLY 18 HA2 GLY 18 24.355 -5.131 -5.762
146 HA3 GLY 18 HA1 GLY 18 24.990 -3.509 -5.475
147 H PHE 19 HN PHE 19 26.873 -3.898 -3.579
148 HA PHE 19 HA PHE 19 29.092 -4.851 -5.023
149 HB2 PHE 19 HB2 PHE 19 28.861 -3.279 -2.881
150 HB3 PHE 19 HB1 PHE 19 29.176 -4.794 -2.040
151 HD1 PHE 19 HD1 PHE 19 31.211 -6.183 -2.807
152 HD2 PHE 19 HD2 PHE 19 30.641 -2.049 -3.827
153 HE1 PHE 19 HE1 PHE 19 33.633 -5.970 -3.298
154 HE2 PHE 19 HE2 PHE 19 33.063 -1.836 -4.320
155 HZ PHE 19 HZ PHE 19 34.556 -3.798 -4.059
156 H SER 20 HN SER 20 27.259 -6.240 -2.356
157 HA SER 20 HA SER 20 28.681 -8.666 -2.155
158 HB2 SER 20 HB2 SER 20 25.766 -8.324 -1.495
159 HB3 SER 20 HB1 SER 20 26.940 -9.386 -0.719
160 HG SER 20 HG SER 20 26.712 -6.557 -0.601
161 H HIS 21 HN HIS 21 25.893 -7.676 -4.037
162 HA HIS 21 HA HIS 21 25.112 -10.178 -5.044
163 HB2 HIS 21 HB2 HIS 21 23.701 -8.251 -5.401
164 HB3 HIS 21 HB1 HIS 21 24.981 -7.413 -6.271
165 HD2 HIS 21 HD2 HIS 21 24.013 -11.155 -7.125
166 HE1 HIS 21 HE1 HIS 21 23.031 -8.707 -10.422
167 HE2 HIS 21 HE2 HIS 21 23.169 -11.107 -9.600
168 H VAL 22 HN VAL 22 27.341 -7.754 -6.424
169 HA VAL 22 HA VAL 22 28.197 -9.457 -8.564
170 HB VAL 22 HB VAL 22 29.539 -7.013 -7.363
171 HG11 VAL 22 HG11 VAL 22 30.580 -6.879 -9.650
172 HG12 VAL 22 HG12 VAL 22 29.928 -8.481 -9.992
173 HG13 VAL 22 HG13 VAL 22 31.122 -8.266 -8.710
174 HG21 VAL 22 HG21 VAL 22 27.768 -7.228 -9.813
175 HG22 VAL 22 HG22 VAL 22 28.387 -5.757 -9.066
176 HG23 VAL 22 HG23 VAL 22 27.175 -6.725 -8.230
177 H PHE 23 HN PHE 23 29.657 -8.441 -5.478
178 HA PHE 23 HA PHE 23 31.312 -9.359 -4.188
179 HB2 PHE 23 HB2 PHE 23 29.524 -11.412 -4.780
180 HB3 PHE 23 HB1 PHE 23 31.095 -12.107 -5.169
181 HD1 PHE 23 HD1 PHE 23 32.944 -10.950 -3.294
182 HD2 PHE 23 HD2 PHE 23 28.857 -12.129 -2.653
183 HE1 PHE 23 HE1 PHE 23 33.409 -11.247 -0.879
184 HE2 PHE 23 HE2 PHE 23 29.330 -12.428 -0.236
185 HZ PHE 23 HZ PHE 23 31.608 -11.982 0.653
186 HN1 NH2 24 H1 PHE 23 32.310 -8.241 -6.570
187 HN2 NH2 24 H2 PHE 23 33.610 -9.183 -7.122
Start of MODEL 5
1 H1 VAL 1 HT1 VAL 1 8.062 11.386 8.184
2 H2 VAL 1 HT2 VAL 1 7.891 10.025 9.180
3 H3 VAL 1 HT3 VAL 1 6.556 11.015 8.857
4 HA VAL 1 HA VAL 1 6.095 9.412 7.381
5 HB VAL 1 HB VAL 1 6.398 11.398 6.033
6 HG11 VAL 1 HG11 VAL 1 8.827 11.565 4.931
7 HG12 VAL 1 HG12 VAL 1 9.295 10.808 6.454
8 HG13 VAL 1 HG13 VAL 1 8.450 12.351 6.462
9 HG21 VAL 1 HG21 VAL 1 6.004 9.512 4.644
10 HG22 VAL 1 HG22 VAL 1 7.650 8.921 4.833
11 HG23 VAL 1 HG23 VAL 1 7.339 10.370 3.881
12 H PHE 2 HN PHE 2 6.988 7.585 8.550
13 HA PHE 2 HA PHE 2 9.629 6.684 8.378
14 HB2 PHE 2 HB2 PHE 2 7.073 5.567 9.221
15 HB3 PHE 2 HB1 PHE 2 8.119 4.355 8.476
16 HD1 PHE 2 HD1 PHE 2 9.819 3.372 9.730
17 HD2 PHE 2 HD2 PHE 2 8.236 7.175 10.944
18 HE1 PHE 2 HE1 PHE 2 11.226 3.309 11.767
19 HE2 PHE 2 HE2 PHE 2 9.642 7.108 12.984
20 HZ PHE 2 HZ PHE 2 11.139 5.177 13.396
21 H GLN 3 HN GLN 3 6.991 6.417 6.138
22 HA GLN 3 HA GLN 3 7.880 4.370 4.469
23 HB2 GLN 3 HB2 GLN 3 6.318 6.895 3.882
24 HB3 GLN 3 HB1 GLN 3 6.674 5.700 2.636
25 HG2 GLN 3 HG2 GLN 3 5.411 4.024 3.699
26 HG3 GLN 3 HG1 GLN 3 5.432 4.860 5.245
27 HE21 GLN 3 HE21 GLN 3 3.418 4.208 2.647
28 HE22 GLN 3 HE22 GLN 3 2.357 5.521 2.813
29 H PHE 4 HN PHE 4 9.067 7.607 4.917
30 HA PHE 4 HA PHE 4 10.527 7.821 2.464
31 HB2 PHE 4 HB2 PHE 4 9.835 9.712 4.049
32 HB3 PHE 4 HB1 PHE 4 11.206 9.234 5.045
33 HD1 PHE 4 HD1 PHE 4 10.142 10.745 1.882
34 HD2 PHE 4 HD2 PHE 4 13.524 9.421 4.184
35 HE1 PHE 4 HE1 PHE 4 11.664 12.019 0.391
36 HE2 PHE 4 HE2 PHE 4 15.038 10.697 2.698
37 HZ PHE 4 HZ PHE 4 14.112 12.000 0.806
38 H LEU 5 HN LEU 5 11.345 6.817 5.751
39 HA LEU 5 HA LEU 5 14.090 6.432 5.367
40 HB2 LEU 5 HB2 LEU 5 12.551 4.554 7.110
41 HB3 LEU 5 HB1 LEU 5 14.075 5.381 7.420
42 HG LEU 5 HG LEU 5 11.295 6.577 7.458
43 HD11 LEU 5 HD11 LEU 5 13.459 6.379 9.564
44 HD12 LEU 5 HD12 LEU 5 12.000 5.387 9.492
45 HD13 LEU 5 HD13 LEU 5 11.874 7.124 9.778
46 HD21 LEU 5 HD21 LEU 5 13.070 8.522 8.337
47 HD22 LEU 5 HD22 LEU 5 12.252 8.496 6.775
48 HD23 LEU 5 HD23 LEU 5 13.879 7.833 6.927
49 H GLY 6 HN GLY 6 11.344 4.483 4.476
50 HA2 GLY 6 HA2 GLY 6 12.543 2.008 4.049
51 HA3 GLY 6 HA1 GLY 6 11.159 2.616 3.148
52 H LYS 7 HN LYS 7 12.274 4.755 1.762
53 HA LYS 7 HA LYS 7 13.694 3.347 -0.272
54 HB2 LYS 7 HB2 LYS 7 14.010 5.780 -1.211
55 HB3 LYS 7 HB1 LYS 7 12.440 4.999 -1.274
56 HG2 LYS 7 HG2 LYS 7 11.809 7.022 -0.383
57 HG3 LYS 7 HG1 LYS 7 12.170 6.178 1.111
58 HD2 LYS 7 HD2 LYS 7 13.471 8.067 1.456
59 HD3 LYS 7 HD1 LYS 7 14.642 7.086 0.580
60 HE2 LYS 7 HE2 LYS 7 14.456 9.412 -0.328
61 HE3 LYS 7 HE1 LYS 7 14.069 8.174 -1.518
62 HZ1 LYS 7 HZ1 LYS 7 11.861 8.674 -1.468
63 HZ2 LYS 7 HZ2 LYS 7 12.515 10.212 -1.179
64 HZ3 LYS 7 HZ3 LYS 7 11.897 9.287 0.107
65 H ILE 8 HN ILE 8 14.550 5.308 2.433
66 HA ILE 8 HA ILE 8 17.221 5.914 1.627
67 HB ILE 8 HB ILE 8 16.091 5.732 4.436
68 HG12 ILE 8 HG12 ILE 8 14.923 7.314 2.753
69 HG13 ILE 8 HG11 ILE 8 15.498 8.032 4.254
70 HG21 ILE 8 HG21 ILE 8 18.630 6.766 3.220
71 HG22 ILE 8 HG22 ILE 8 18.391 5.881 4.730
72 HG23 ILE 8 HG23 ILE 8 17.961 7.589 4.629
73 HD11 ILE 8 HD11 ILE 8 17.436 7.968 2.000
74 HD12 ILE 8 HD12 ILE 8 17.158 9.219 3.215
75 HD13 ILE 8 HD13 ILE 8 16.072 9.071 1.830
76 H ILE 9 HN ILE 9 15.927 3.490 3.954
77 HA ILE 9 HA ILE 9 18.387 2.232 4.460
78 HB ILE 9 HB ILE 9 16.855 0.151 4.847
79 HG12 ILE 9 HG12 ILE 9 14.589 1.908 5.301
80 HG13 ILE 9 HG11 ILE 9 15.032 1.879 3.600
81 HG21 ILE 9 HG21 ILE 9 16.364 0.946 7.039
82 HG22 ILE 9 HG22 ILE 9 16.264 2.621 6.488
83 HG23 ILE 9 HG23 ILE 9 17.826 1.803 6.551
84 HD11 ILE 9 HD11 ILE 9 13.721 -0.162 5.177
85 HD12 ILE 9 HD12 ILE 9 15.189 -0.800 4.441
86 HD13 ILE 9 HD13 ILE 9 13.934 -0.082 3.432
87 H HIS 10 HN HIS 10 16.051 1.829 1.919
88 HA HIS 10 HA HIS 10 17.048 -0.512 0.743
89 HB2 HIS 10 HB2 HIS 10 14.862 0.677 0.219
90 HB3 HIS 10 HB1 HIS 10 15.808 1.765 -0.798
91 HD2 HIS 10 HD2 HIS 10 16.793 0.596 -3.200
92 HE1 HIS 10 HE1 HIS 10 15.018 -3.199 -2.615
93 HE2 HIS 10 HE2 HIS 10 16.290 -1.737 -4.273
94 H HIS 11 HN HIS 11 18.091 2.860 0.424
95 HA HIS 11 HA HIS 11 19.773 2.368 -1.851
96 HB2 HIS 11 HB2 HIS 11 19.402 4.620 0.097
97 HB3 HIS 11 HB1 HIS 11 20.875 4.570 -0.874
98 HD2 HIS 11 HD2 HIS 11 17.169 3.734 -2.093
99 HE1 HIS 11 HE1 HIS 11 18.831 6.736 -4.565
100 HE2 HIS 11 HE2 HIS 11 16.796 5.252 -4.197
101 H VAL 12 HN VAL 12 20.134 2.472 1.615
102 HA VAL 12 HA VAL 12 22.929 2.052 1.689
103 HB VAL 12 HB VAL 12 21.266 1.065 3.924
104 HG11 VAL 12 HG11 VAL 12 23.644 1.378 4.209
105 HG12 VAL 12 HG12 VAL 12 22.815 2.620 5.147
106 HG13 VAL 12 HG13 VAL 12 23.546 3.028 3.593
107 HG21 VAL 12 HG21 VAL 12 21.006 3.804 2.728
108 HG22 VAL 12 HG22 VAL 12 20.902 3.609 4.475
109 HG23 VAL 12 HG23 VAL 12 19.767 2.773 3.429
110 H GLY 13 HN GLY 13 20.109 -0.051 1.974
111 HA2 GLY 13 HA2 GLY 13 21.478 -2.497 2.315
112 HA3 GLY 13 HA1 GLY 13 19.853 -2.326 1.656
113 H ASN 14 HN ASN 14 20.407 -0.735 -0.554
114 HA ASN 14 HA ASN 14 21.155 -2.607 -2.508
115 HB2 ASN 14 HB2 ASN 14 19.782 -0.571 -2.933
116 HB3 ASN 14 HB1 ASN 14 21.236 0.406 -2.749
117 HD21 ASN 14 HD21 ASN 14 22.636 0.558 -4.558
118 HD22 ASN 14 HD22 ASN 14 22.402 -0.318 -5.994
119 H PHE 15 HN PHE 15 23.028 -0.381 -0.567
120 HA PHE 15 HA PHE 15 25.376 -0.348 -2.181
121 HB2 PHE 15 HB2 PHE 15 24.661 1.175 -0.142
122 HB3 PHE 15 HB1 PHE 15 25.468 -0.070 0.809
123 HD1 PHE 15 HD1 PHE 15 25.932 2.257 -2.050
124 HD2 PHE 15 HD2 PHE 15 27.840 -0.161 0.940
125 HE1 PHE 15 HE1 PHE 15 28.126 3.219 -2.676
126 HE2 PHE 15 HE2 PHE 15 30.040 0.802 0.318
127 HZ PHE 15 HZ PHE 15 30.187 2.487 -1.498
128 H VAL 16 HN VAL 16 24.245 -2.164 0.571
129 HA VAL 16 HA VAL 16 26.485 -3.870 0.818
130 HB VAL 16 HB VAL 16 23.876 -4.902 1.671
131 HG11 VAL 16 HG11 VAL 16 26.135 -5.642 2.482
132 HG12 VAL 16 HG12 VAL 16 25.052 -5.135 3.780
133 HG13 VAL 16 HG13 VAL 16 26.329 -4.052 3.225
134 HG21 VAL 16 HG21 VAL 16 23.257 -2.588 1.834
135 HG22 VAL 16 HG22 VAL 16 24.810 -2.149 2.536
136 HG23 VAL 16 HG23 VAL 16 23.666 -3.117 3.460
137 H HIS 17 HN HIS 17 23.347 -4.044 -0.741
138 HA HIS 17 HA HIS 17 23.483 -6.658 -1.767
139 HB2 HIS 17 HB2 HIS 17 21.633 -4.659 -1.840
140 HB3 HIS 17 HB1 HIS 17 22.245 -4.588 -3.493
141 HD2 HIS 17 HD2 HIS 17 22.655 -7.843 -3.958
142 HE1 HIS 17 HE1 HIS 17 18.541 -8.084 -3.031
143 HE2 HIS 17 HE2 HIS 17 20.489 -9.301 -4.118
144 H GLY 18 HN GLY 18 24.597 -3.539 -3.030
145 HA2 GLY 18 HA2 GLY 18 25.537 -4.385 -5.536
146 HA3 GLY 18 HA1 GLY 18 26.177 -3.014 -4.623
147 H PHE 19 HN PHE 19 27.246 -4.091 -2.412
148 HA PHE 19 HA PHE 19 29.707 -5.150 -3.248
149 HB2 PHE 19 HB2 PHE 19 28.356 -4.670 -0.676
150 HB3 PHE 19 HB1 PHE 19 29.504 -6.007 -0.644
151 HD1 PHE 19 HD1 PHE 19 29.103 -2.404 -0.833
152 HD2 PHE 19 HD2 PHE 19 31.886 -5.623 -1.411
153 HE1 PHE 19 HE1 PHE 19 30.981 -0.786 -0.778
154 HE2 PHE 19 HE2 PHE 19 33.767 -4.005 -1.354
155 HZ PHE 19 HZ PHE 19 33.314 -1.582 -1.036
156 H SER 20 HN SER 20 26.754 -6.653 -2.111
157 HA SER 20 HA SER 20 27.694 -9.318 -2.057
158 HB2 SER 20 HB2 SER 20 24.861 -8.532 -2.713
159 HB3 SER 20 HB1 SER 20 25.433 -9.973 -1.869
160 HG SER 20 HG SER 20 25.698 -7.280 -0.936
161 H HIS 21 HN HIS 21 26.221 -7.303 -4.509
162 HA HIS 21 HA HIS 21 26.079 -9.282 -6.553
163 HB2 HIS 21 HB2 HIS 21 26.198 -6.262 -6.668
164 HB3 HIS 21 HB1 HIS 21 26.017 -7.276 -8.096
165 HD2 HIS 21 HD2 HIS 21 23.593 -5.286 -6.411
166 HE1 HIS 21 HE1 HIS 21 21.591 -9.001 -6.525
167 HE2 HIS 21 HE2 HIS 21 21.293 -6.498 -6.195
168 H VAL 22 HN VAL 22 28.458 -6.827 -5.632
169 HA VAL 22 HA VAL 22 30.327 -7.235 -7.689
170 HB VAL 22 HB VAL 22 30.800 -6.491 -4.781
171 HG11 VAL 22 HG11 VAL 22 32.556 -5.801 -7.134
172 HG12 VAL 22 HG12 VAL 22 32.797 -7.282 -6.214
173 HG13 VAL 22 HG13 VAL 22 32.935 -5.720 -5.418
174 HG21 VAL 22 HG21 VAL 22 30.180 -4.363 -5.304
175 HG22 VAL 22 HG22 VAL 22 29.320 -5.117 -6.649
176 HG23 VAL 22 HG23 VAL 22 30.930 -4.438 -6.895
177 H PHE 23 HN PHE 23 29.842 -8.845 -4.577
178 HA PHE 23 HA PHE 23 32.087 -10.602 -4.778
179 HB2 PHE 23 HB2 PHE 23 30.269 -9.977 -2.793
180 HB3 PHE 23 HB1 PHE 23 29.755 -11.595 -3.266
181 HD1 PHE 23 HD1 PHE 23 31.383 -10.278 -0.759
182 HD2 PHE 23 HD2 PHE 23 32.334 -12.820 -4.075
183 HE1 PHE 23 HE1 PHE 23 33.275 -11.230 0.518
184 HE2 PHE 23 HE2 PHE 23 34.236 -13.777 -2.799
185 HZ PHE 23 HZ PHE 23 34.705 -12.976 -0.496
186 HN1 NH2 24 H1 PHE 23 28.572 -11.171 -5.339
187 HN2 NH2 24 H2 PHE 23 28.806 -12.479 -6.396
Start of MODEL 6
1 H1 VAL 1 HT1 VAL 1 5.222 10.604 4.013
2 H2 VAL 1 HT2 VAL 1 6.852 10.679 4.466
3 H3 VAL 1 HT3 VAL 1 5.723 11.716 5.191
4 HA VAL 1 HA VAL 1 5.335 10.271 6.772
5 HB VAL 1 HB VAL 1 3.693 9.405 4.998
6 HG11 VAL 1 HG11 VAL 1 5.990 8.041 4.089
7 HG12 VAL 1 HG12 VAL 1 4.330 7.828 3.529
8 HG13 VAL 1 HG13 VAL 1 4.960 6.806 4.818
9 HG21 VAL 1 HG21 VAL 1 4.560 7.205 6.860
10 HG22 VAL 1 HG22 VAL 1 2.934 7.751 6.471
11 HG23 VAL 1 HG23 VAL 1 3.960 8.726 7.518
12 H PHE 2 HN PHE 2 6.041 7.992 7.625
13 HA PHE 2 HA PHE 2 8.820 7.989 7.820
14 HB2 PHE 2 HB2 PHE 2 7.775 5.335 8.282
15 HB3 PHE 2 HB1 PHE 2 8.421 6.499 9.436
16 HD1 PHE 2 HD1 PHE 2 5.538 4.695 8.620
17 HD2 PHE 2 HD2 PHE 2 6.795 8.634 9.795
18 HE1 PHE 2 HE1 PHE 2 3.263 5.168 9.470
19 HE2 PHE 2 HE2 PHE 2 4.511 9.109 10.650
20 HZ PHE 2 HZ PHE 2 2.749 7.367 10.480
21 H GLN 3 HN GLN 3 6.698 6.307 5.625
22 HA GLN 3 HA GLN 3 8.392 4.383 4.573
23 HB2 GLN 3 HB2 GLN 3 6.286 6.047 3.184
24 HB3 GLN 3 HB1 GLN 3 7.097 4.683 2.428
25 HG2 GLN 3 HG2 GLN 3 6.194 3.883 5.030
26 HG3 GLN 3 HG1 GLN 3 4.851 4.635 4.176
27 HE21 GLN 3 HE21 GLN 3 5.635 1.665 4.784
28 HE22 GLN 3 HE22 GLN 3 5.453 0.907 3.276
29 H PHE 4 HN PHE 4 8.498 7.848 4.140
30 HA PHE 4 HA PHE 4 10.074 7.867 1.770
31 HB2 PHE 4 HB2 PHE 4 8.739 9.805 3.008
32 HB3 PHE 4 HB1 PHE 4 10.305 10.079 3.771
33 HD1 PHE 4 HD1 PHE 4 11.481 11.802 2.731
34 HD2 PHE 4 HD2 PHE 4 9.186 9.094 0.321
35 HE1 PHE 4 HE1 PHE 4 12.275 12.955 0.683
36 HE2 PHE 4 HE2 PHE 4 9.980 10.242 -1.729
37 HZ PHE 4 HZ PHE 4 11.531 12.169 -1.544
38 H LEU 5 HN LEU 5 10.958 8.485 5.155
39 HA LEU 5 HA LEU 5 13.756 8.360 4.650
40 HB2 LEU 5 HB2 LEU 5 12.661 7.845 7.383
41 HB3 LEU 5 HB1 LEU 5 14.028 8.842 6.884
42 HG LEU 5 HG LEU 5 12.148 10.277 5.688
43 HD11 LEU 5 HD11 LEU 5 10.387 9.843 7.917
44 HD12 LEU 5 HD12 LEU 5 10.620 8.322 7.052
45 HD13 LEU 5 HD13 LEU 5 10.029 9.745 6.193
46 HD21 LEU 5 HD21 LEU 5 12.896 10.241 8.612
47 HD22 LEU 5 HD22 LEU 5 11.827 11.488 7.959
48 HD23 LEU 5 HD23 LEU 5 13.471 11.322 7.339
49 H GLY 6 HN GLY 6 11.303 6.050 5.627
50 HA2 GLY 6 HA2 GLY 6 12.884 4.014 6.666
51 HA3 GLY 6 HA1 GLY 6 11.342 3.763 5.861
52 H LYS 7 HN LYS 7 11.987 4.511 3.228
53 HA LYS 7 HA LYS 7 13.128 2.146 2.267
54 HB2 LYS 7 HB2 LYS 7 13.381 3.430 0.068
55 HB3 LYS 7 HB1 LYS 7 11.760 3.283 0.731
56 HG2 LYS 7 HG2 LYS 7 12.024 5.574 0.063
57 HG3 LYS 7 HG1 LYS 7 12.119 5.548 1.821
58 HD2 LYS 7 HD2 LYS 7 14.282 6.214 1.830
59 HD3 LYS 7 HD1 LYS 7 14.709 5.147 0.488
60 HE2 LYS 7 HE2 LYS 7 14.951 7.532 -0.132
61 HE3 LYS 7 HE1 LYS 7 13.721 6.729 -1.108
62 HZ1 LYS 7 HZ1 LYS 7 13.384 9.025 0.308
63 HZ2 LYS 7 HZ2 LYS 7 12.681 7.856 1.325
64 HZ3 LYS 7 HZ3 LYS 7 12.131 8.035 -0.277
65 H ILE 8 HN ILE 8 14.661 5.028 3.360
66 HA ILE 8 HA ILE 8 17.031 5.074 1.956
67 HB ILE 8 HB ILE 8 16.646 5.582 4.916
68 HG12 ILE 8 HG12 ILE 8 16.626 7.470 2.535
69 HG13 ILE 8 HG11 ILE 8 15.188 6.930 3.398
70 HG21 ILE 8 HG21 ILE 8 19.042 5.287 4.224
71 HG22 ILE 8 HG22 ILE 8 18.679 6.923 4.771
72 HG23 ILE 8 HG23 ILE 8 18.817 6.584 3.049
73 HD11 ILE 8 HD11 ILE 8 15.969 7.972 5.454
74 HD12 ILE 8 HD12 ILE 8 15.989 9.166 4.160
75 HD13 ILE 8 HD13 ILE 8 17.493 8.412 4.683
76 H ILE 9 HN ILE 9 16.180 2.910 4.677
77 HA ILE 9 HA ILE 9 18.728 1.823 5.106
78 HB ILE 9 HB ILE 9 17.452 -0.285 5.769
79 HG12 ILE 9 HG12 ILE 9 14.916 1.091 5.992
80 HG13 ILE 9 HG11 ILE 9 15.400 0.989 4.303
81 HG21 ILE 9 HG21 ILE 9 16.473 0.850 7.772
82 HG22 ILE 9 HG22 ILE 9 16.743 2.402 6.975
83 HG23 ILE 9 HG23 ILE 9 18.115 1.381 7.409
84 HD11 ILE 9 HD11 ILE 9 14.125 -1.015 5.617
85 HD12 ILE 9 HD12 ILE 9 15.804 -1.477 5.898
86 HD13 ILE 9 HD13 ILE 9 15.207 -1.285 4.248
87 H HIS 10 HN HIS 10 16.274 1.112 2.761
88 HA HIS 10 HA HIS 10 17.478 -1.162 1.577
89 HB2 HIS 10 HB2 HIS 10 15.050 -0.186 1.322
90 HB3 HIS 10 HB1 HIS 10 15.763 0.722 -0.010
91 HD2 HIS 10 HD2 HIS 10 17.474 -1.358 -1.638
92 HE1 HIS 10 HE1 HIS 10 14.327 -4.141 -1.195
93 HE2 HIS 10 HE2 HIS 10 16.442 -3.599 -2.504
94 H HIS 11 HN HIS 11 17.927 2.309 1.134
95 HA HIS 11 HA HIS 11 19.307 2.133 -1.356
96 HB2 HIS 11 HB2 HIS 11 19.254 4.202 0.839
97 HB3 HIS 11 HB1 HIS 11 20.277 4.382 -0.582
98 HD2 HIS 11 HD2 HIS 11 16.661 2.898 -1.014
99 HE1 HIS 11 HE1 HIS 11 16.690 6.773 -2.708
100 HE2 HIS 11 HE2 HIS 11 15.322 4.644 -2.431
101 H VAL 12 HN VAL 12 20.217 2.107 2.006
102 HA VAL 12 HA VAL 12 23.006 2.027 1.637
103 HB VAL 12 HB VAL 12 21.853 0.660 3.984
104 HG11 VAL 12 HG11 VAL 12 23.321 3.145 4.368
105 HG12 VAL 12 HG12 VAL 12 24.182 2.020 3.323
106 HG13 VAL 12 HG13 VAL 12 23.698 1.524 4.941
107 HG21 VAL 12 HG21 VAL 12 21.124 2.995 4.874
108 HG22 VAL 12 HG22 VAL 12 20.033 2.144 3.792
109 HG23 VAL 12 HG23 VAL 12 21.034 3.454 3.176
110 H GLY 13 HN GLY 13 20.554 -0.436 2.218
111 HA2 GLY 13 HA2 GLY 13 22.225 -2.699 2.127
112 HA3 GLY 13 HA1 GLY 13 20.498 -2.697 1.796
113 H ASN 14 HN ASN 14 20.530 -0.899 -0.384
114 HA ASN 14 HA ASN 14 20.899 -2.617 -2.545
115 HB2 ASN 14 HB2 ASN 14 19.803 -0.957 -3.570
116 HB3 ASN 14 HB1 ASN 14 20.023 0.056 -2.148
117 HD21 ASN 14 HD21 ASN 14 22.054 1.406 -2.087
118 HD22 ASN 14 HD22 ASN 14 22.785 1.854 -3.554
119 H PHE 15 HN PHE 15 23.212 -0.472 -0.964
120 HA PHE 15 HA PHE 15 25.125 -0.625 -3.104
121 HB2 PHE 15 HB2 PHE 15 24.902 0.736 -0.558
122 HB3 PHE 15 HB1 PHE 15 26.486 -0.021 -0.715
123 HD1 PHE 15 HD1 PHE 15 24.582 2.841 -1.507
124 HD2 PHE 15 HD2 PHE 15 27.616 0.256 -3.110
125 HE1 PHE 15 HE1 PHE 15 25.269 4.624 -3.083
126 HE2 PHE 15 HE2 PHE 15 28.304 2.042 -4.688
127 HZ PHE 15 HZ PHE 15 27.133 4.228 -4.677
128 H VAL 16 HN VAL 16 24.663 -2.111 0.031
129 HA VAL 16 HA VAL 16 26.889 -3.808 0.009
130 HB VAL 16 HB VAL 16 24.417 -4.814 1.253
131 HG11 VAL 16 HG11 VAL 16 26.585 -5.714 1.864
132 HG12 VAL 16 HG12 VAL 16 25.949 -4.814 3.239
133 HG13 VAL 16 HG13 VAL 16 27.194 -4.098 2.220
134 HG21 VAL 16 HG21 VAL 16 24.486 -2.989 2.998
135 HG22 VAL 16 HG22 VAL 16 23.886 -2.481 1.427
136 HG23 VAL 16 HG23 VAL 16 25.528 -2.074 1.910
137 H HIS 17 HN HIS 17 23.600 -4.107 -1.173
138 HA HIS 17 HA HIS 17 23.674 -6.791 -2.030
139 HB2 HIS 17 HB2 HIS 17 21.631 -5.291 -1.932
140 HB3 HIS 17 HB1 HIS 17 22.220 -4.511 -3.397
141 HD2 HIS 17 HD2 HIS 17 22.166 -6.187 -5.738
142 HE1 HIS 17 HE1 HIS 17 19.830 -9.225 -3.966
143 HE2 HIS 17 HE2 HIS 17 20.760 -8.348 -6.164
144 H GLY 18 HN GLY 18 24.584 -3.745 -3.602
145 HA2 GLY 18 HA2 GLY 18 25.339 -4.826 -6.115
146 HA3 GLY 18 HA1 GLY 18 25.917 -3.305 -5.438
147 H PHE 19 HN PHE 19 27.265 -3.972 -3.228
148 HA PHE 19 HA PHE 19 29.742 -4.914 -4.139
149 HB2 PHE 19 HB2 PHE 19 28.628 -4.844 -1.322
150 HB3 PHE 19 HB1 PHE 19 30.318 -5.143 -1.716
151 HD1 PHE 19 HD1 PHE 19 30.782 -3.241 -3.945
152 HD2 PHE 19 HD2 PHE 19 28.600 -2.735 -0.275
153 HE1 PHE 19 HE1 PHE 19 31.176 -0.794 -4.050
154 HE2 PHE 19 HE2 PHE 19 28.992 -0.292 -0.378
155 HZ PHE 19 HZ PHE 19 30.273 0.686 -2.267
156 H SER 20 HN SER 20 27.180 -6.533 -2.340
157 HA SER 20 HA SER 20 28.358 -9.057 -2.076
158 HB2 SER 20 HB2 SER 20 25.433 -8.581 -2.628
159 HB3 SER 20 HB1 SER 20 26.150 -9.926 -1.748
160 HG SER 20 HG SER 20 26.274 -7.179 -0.986
161 H HIS 21 HN HIS 21 26.434 -7.662 -4.669
162 HA HIS 21 HA HIS 21 26.303 -9.902 -6.359
163 HB2 HIS 21 HB2 HIS 21 25.879 -7.007 -6.603
164 HB3 HIS 21 HB1 HIS 21 26.468 -7.746 -8.089
165 HD2 HIS 21 HD2 HIS 21 23.733 -7.379 -9.085
166 HE1 HIS 21 HE1 HIS 21 22.197 -10.578 -6.796
167 HE2 HIS 21 HE2 HIS 21 21.703 -8.982 -8.712
168 H VAL 22 HN VAL 22 28.635 -7.216 -6.257
169 HA VAL 22 HA VAL 22 30.334 -8.207 -8.290
170 HB VAL 22 HB VAL 22 31.274 -6.556 -5.938
171 HG11 VAL 22 HG11 VAL 22 32.785 -7.443 -7.874
172 HG12 VAL 22 HG12 VAL 22 32.902 -5.739 -7.433
173 HG13 VAL 22 HG13 VAL 22 31.972 -6.221 -8.853
174 HG21 VAL 22 HG21 VAL 22 29.679 -5.035 -6.430
175 HG22 VAL 22 HG22 VAL 22 29.162 -5.939 -7.854
176 HG23 VAL 22 HG23 VAL 22 30.501 -4.798 -7.970
177 H PHE 23 HN PHE 23 30.378 -8.544 -4.744
178 HA PHE 23 HA PHE 23 32.594 -10.456 -4.931
179 HB2 PHE 23 HB2 PHE 23 31.154 -9.566 -2.425
180 HB3 PHE 23 HB1 PHE 23 32.764 -10.270 -2.560
181 HD1 PHE 23 HD1 PHE 23 33.796 -8.719 -4.926
182 HD2 PHE 23 HD2 PHE 23 31.621 -7.449 -1.452
183 HE1 PHE 23 HE1 PHE 23 34.763 -6.452 -5.153
184 HE2 PHE 23 HE2 PHE 23 32.594 -5.177 -1.678
185 HZ PHE 23 HZ PHE 23 34.158 -4.679 -3.536
186 HN1 NH2 24 H1 PHE 23 30.192 -11.377 -6.144
187 HN2 NH2 24 H2 PHE 23 29.584 -12.653 -5.205
Start of MODEL 7
1 H1 VAL 1 HT1 VAL 1 6.018 9.753 8.411
2 H2 VAL 1 HT2 VAL 1 5.180 10.136 6.988
3 H3 VAL 1 HT3 VAL 1 5.816 11.367 7.961
4 HA VAL 1 HA VAL 1 7.034 10.528 5.795
5 HB VAL 1 HB VAL 1 9.156 11.345 6.879
6 HG11 VAL 1 HG11 VAL 1 6.922 12.750 6.191
7 HG12 VAL 1 HG12 VAL 1 8.411 13.512 6.754
8 HG13 VAL 1 HG13 VAL 1 7.083 13.227 7.882
9 HG21 VAL 1 HG21 VAL 1 7.558 11.882 9.364
10 HG22 VAL 1 HG22 VAL 1 9.303 11.755 9.169
11 HG23 VAL 1 HG23 VAL 1 8.309 10.299 9.169
12 H PHE 2 HN PHE 2 6.319 8.267 8.035
13 HA PHE 2 HA PHE 2 8.660 6.791 8.431
14 HB2 PHE 2 HB2 PHE 2 5.949 5.574 7.920
15 HB3 PHE 2 HB1 PHE 2 7.252 4.933 8.916
16 HD1 PHE 2 HD1 PHE 2 8.084 6.619 10.825
17 HD2 PHE 2 HD2 PHE 2 4.188 6.660 9.021
18 HE1 PHE 2 HE1 PHE 2 7.189 7.817 12.797
19 HE2 PHE 2 HE2 PHE 2 3.285 7.860 11.000
20 HZ PHE 2 HZ PHE 2 4.790 8.442 12.886
21 H GLN 3 HN GLN 3 6.590 7.104 5.663
22 HA GLN 3 HA GLN 3 7.392 4.831 4.196
23 HB2 GLN 3 HB2 GLN 3 6.591 7.461 2.961
24 HB3 GLN 3 HB1 GLN 3 6.312 5.837 2.344
25 HG2 GLN 3 HG2 GLN 3 4.227 6.246 3.242
26 HG3 GLN 3 HG1 GLN 3 5.014 5.575 4.668
27 HE21 GLN 3 HE21 GLN 3 2.996 7.993 3.895
28 HE22 GLN 3 HE22 GLN 3 3.494 9.180 5.000
29 H PHE 4 HN PHE 4 8.862 7.990 4.595
30 HA PHE 4 HA PHE 4 10.624 7.811 2.359
31 HB2 PHE 4 HB2 PHE 4 11.178 9.375 4.886
32 HB3 PHE 4 HB1 PHE 4 11.737 9.717 3.253
33 HD1 PHE 4 HD1 PHE 4 10.344 11.774 4.927
34 HD2 PHE 4 HD2 PHE 4 8.747 8.837 2.210
35 HE1 PHE 4 HE1 PHE 4 8.343 13.189 4.561
36 HE2 PHE 4 HE2 PHE 4 6.746 10.259 1.860
37 HZ PHE 4 HZ PHE 4 6.542 12.430 3.033
38 H LEU 5 HN LEU 5 10.957 7.046 5.795
39 HA LEU 5 HA LEU 5 13.663 6.376 5.824
40 HB2 LEU 5 HB2 LEU 5 11.898 4.672 7.477
41 HB3 LEU 5 HB1 LEU 5 13.299 5.635 7.941
42 HG LEU 5 HG LEU 5 10.526 6.724 7.344
43 HD11 LEU 5 HD11 LEU 5 10.596 5.552 9.471
44 HD12 LEU 5 HD12 LEU 5 10.577 7.288 9.775
45 HD13 LEU 5 HD13 LEU 5 12.084 6.385 9.916
46 HD21 LEU 5 HD21 LEU 5 13.195 7.998 7.864
47 HD22 LEU 5 HD22 LEU 5 11.749 8.784 8.493
48 HD23 LEU 5 HD23 LEU 5 11.917 8.503 6.758
49 H GLY 6 HN GLY 6 10.867 4.504 4.850
50 HA2 GLY 6 HA2 GLY 6 12.011 1.952 4.688
51 HA3 GLY 6 HA1 GLY 6 10.672 2.524 3.697
52 H LYS 7 HN LYS 7 11.936 4.590 2.320
53 HA LYS 7 HA LYS 7 13.267 3.064 0.317
54 HB2 LYS 7 HB2 LYS 7 12.423 4.709 -0.926
55 HB3 LYS 7 HB1 LYS 7 12.028 5.640 0.503
56 HG2 LYS 7 HG2 LYS 7 14.887 5.673 -0.401
57 HG3 LYS 7 HG1 LYS 7 13.708 6.568 -1.352
58 HD2 LYS 7 HD2 LYS 7 12.991 7.285 1.195
59 HD3 LYS 7 HD1 LYS 7 14.741 7.133 1.346
60 HE2 LYS 7 HE2 LYS 7 15.092 8.679 -0.497
61 HE3 LYS 7 HE1 LYS 7 13.361 8.720 -0.835
62 HZ1 LYS 7 HZ1 LYS 7 14.554 10.531 0.644
63 HZ2 LYS 7 HZ2 LYS 7 14.179 9.429 1.876
64 HZ3 LYS 7 HZ3 LYS 7 12.947 10.075 0.902
65 H ILE 8 HN ILE 8 14.299 5.177 2.879
66 HA ILE 8 HA ILE 8 16.905 5.743 2.057
67 HB ILE 8 HB ILE 8 15.844 5.348 4.868
68 HG12 ILE 8 HG12 ILE 8 14.755 7.112 3.373
69 HG13 ILE 8 HG11 ILE 8 15.451 7.711 4.875
70 HG21 ILE 8 HG21 ILE 8 18.405 6.556 3.804
71 HG22 ILE 8 HG22 ILE 8 18.231 5.258 4.986
72 HG23 ILE 8 HG23 ILE 8 17.786 6.911 5.418
73 HD11 ILE 8 HD11 ILE 8 16.062 9.136 2.932
74 HD12 ILE 8 HD12 ILE 8 16.849 7.749 2.185
75 HD13 ILE 8 HD13 ILE 8 17.477 8.409 3.690
76 H ILE 9 HN ILE 9 15.830 3.034 4.153
77 HA ILE 9 HA ILE 9 18.346 1.895 4.550
78 HB ILE 9 HB ILE 9 17.011 -0.304 4.742
79 HG12 ILE 9 HG12 ILE 9 14.499 1.028 5.163
80 HG13 ILE 9 HG11 ILE 9 15.060 1.403 3.535
81 HG21 ILE 9 HG21 ILE 9 17.514 0.659 6.799
82 HG22 ILE 9 HG22 ILE 9 15.755 0.786 6.821
83 HG23 ILE 9 HG23 ILE 9 16.737 2.188 6.389
84 HD11 ILE 9 HD11 ILE 9 14.933 -1.403 4.670
85 HD12 ILE 9 HD12 ILE 9 15.319 -0.951 3.013
86 HD13 ILE 9 HD13 ILE 9 13.693 -0.692 3.641
87 H HIS 10 HN HIS 10 16.081 1.528 1.934
88 HA HIS 10 HA HIS 10 17.260 -0.606 0.570
89 HB2 HIS 10 HB2 HIS 10 15.032 0.744 0.123
90 HB3 HIS 10 HB1 HIS 10 16.060 1.654 -0.984
91 HD2 HIS 10 HD2 HIS 10 16.902 0.223 -3.281
92 HE1 HIS 10 HE1 HIS 10 14.829 -3.345 -2.393
93 HE2 HIS 10 HE2 HIS 10 16.167 -2.120 -4.171
94 H HIS 11 HN HIS 11 18.131 2.820 0.639
95 HA HIS 11 HA HIS 11 19.908 2.675 -1.611
96 HB2 HIS 11 HB2 HIS 11 19.202 4.665 0.463
97 HB3 HIS 11 HB1 HIS 11 20.845 4.777 -0.164
98 HD2 HIS 11 HD2 HIS 11 17.196 4.629 -1.782
99 HE1 HIS 11 HE1 HIS 11 19.785 6.822 -4.305
100 HE2 HIS 11 HE2 HIS 11 17.383 6.031 -3.986
101 H VAL 12 HN VAL 12 20.225 2.541 1.868
102 HA VAL 12 HA VAL 12 23.016 2.285 1.997
103 HB VAL 12 HB VAL 12 21.396 0.932 4.054
104 HG11 VAL 12 HG11 VAL 12 23.685 1.478 4.540
105 HG12 VAL 12 HG12 VAL 12 22.690 2.607 5.465
106 HG13 VAL 12 HG13 VAL 12 23.465 3.135 3.969
107 HG21 VAL 12 HG21 VAL 12 20.912 3.801 3.226
108 HG22 VAL 12 HG22 VAL 12 20.594 3.242 4.866
109 HG23 VAL 12 HG23 VAL 12 19.728 2.532 3.511
110 H GLY 13 HN GLY 13 20.395 -0.076 2.028
111 HA2 GLY 13 HA2 GLY 13 21.979 -2.407 2.166
112 HA3 GLY 13 HA1 GLY 13 20.335 -2.331 1.555
113 H ASN 14 HN ASN 14 20.776 -0.504 -0.548
114 HA ASN 14 HA ASN 14 21.402 -2.178 -2.673
115 HB2 ASN 14 HB2 ASN 14 20.288 -0.378 -3.488
116 HB3 ASN 14 HB1 ASN 14 20.985 0.719 -2.303
117 HD21 ASN 14 HD21 ASN 14 21.952 -1.121 -5.256
118 HD22 ASN 14 HD22 ASN 14 23.055 0.052 -5.790
119 H PHE 15 HN PHE 15 23.564 -0.154 -0.750
120 HA PHE 15 HA PHE 15 25.757 -0.388 -2.592
121 HB2 PHE 15 HB2 PHE 15 25.352 0.752 0.133
122 HB3 PHE 15 HB1 PHE 15 26.993 0.270 -0.299
123 HD1 PHE 15 HD1 PHE 15 24.257 2.611 -0.968
124 HD2 PHE 15 HD2 PHE 15 28.137 1.281 -2.251
125 HE1 PHE 15 HE1 PHE 15 24.507 4.657 -2.347
126 HE2 PHE 15 HE2 PHE 15 28.388 3.328 -3.624
127 HZ PHE 15 HZ PHE 15 26.578 5.021 -3.672
128 H VAL 16 HN VAL 16 24.733 -1.938 0.383
129 HA VAL 16 HA VAL 16 26.935 -3.686 0.630
130 HB VAL 16 HB VAL 16 24.395 -4.625 1.728
131 HG11 VAL 16 HG11 VAL 16 26.971 -3.639 2.976
132 HG12 VAL 16 HG12 VAL 16 26.652 -5.307 2.495
133 HG13 VAL 16 HG13 VAL 16 25.722 -4.568 3.799
134 HG21 VAL 16 HG21 VAL 16 25.348 -1.805 2.303
135 HG22 VAL 16 HG22 VAL 16 24.218 -2.684 3.334
136 HG23 VAL 16 HG23 VAL 16 23.779 -2.287 1.676
137 H HIS 17 HN HIS 17 23.687 -3.973 -0.702
138 HA HIS 17 HA HIS 17 23.792 -6.668 -1.489
139 HB2 HIS 17 HB2 HIS 17 22.256 -4.262 -2.416
140 HB3 HIS 17 HB1 HIS 17 22.149 -5.767 -3.330
141 HD2 HIS 17 HD2 HIS 17 21.683 -8.038 -1.216
142 HE1 HIS 17 HE1 HIS 17 18.969 -5.490 0.774
143 HE2 HIS 17 HE2 HIS 17 19.762 -7.893 0.544
144 H GLY 18 HN GLY 18 24.766 -3.682 -3.131
145 HA2 GLY 18 HA2 GLY 18 25.513 -4.762 -5.609
146 HA3 GLY 18 HA1 GLY 18 26.229 -3.327 -4.884
147 H PHE 19 HN PHE 19 27.438 -4.232 -2.662
148 HA PHE 19 HA PHE 19 29.866 -5.310 -3.524
149 HB2 PHE 19 HB2 PHE 19 28.529 -4.980 -0.872
150 HB3 PHE 19 HB1 PHE 19 29.925 -6.049 -0.955
151 HD1 PHE 19 HD1 PHE 19 32.001 -5.062 -2.301
152 HD2 PHE 19 HD2 PHE 19 28.891 -2.725 -0.486
153 HE1 PHE 19 HE1 PHE 19 33.511 -3.097 -2.243
154 HE2 PHE 19 HE2 PHE 19 30.397 -0.763 -0.431
155 HZ PHE 19 HZ PHE 19 32.714 -0.941 -1.307
156 H SER 20 HN SER 20 27.118 -6.839 -1.955
157 HA SER 20 HA SER 20 28.096 -9.466 -1.871
158 HB2 SER 20 HB2 SER 20 25.181 -9.017 -2.265
159 HB3 SER 20 HB1 SER 20 26.008 -10.055 -1.110
160 HG SER 20 HG SER 20 25.841 -7.200 -1.047
161 H HIS 21 HN HIS 21 26.230 -7.766 -4.327
162 HA HIS 21 HA HIS 21 25.890 -10.038 -6.018
163 HB2 HIS 21 HB2 HIS 21 25.436 -7.105 -6.241
164 HB3 HIS 21 HB1 HIS 21 25.614 -8.000 -7.751
165 HD2 HIS 21 HD2 HIS 21 22.734 -7.033 -5.647
166 HE1 HIS 21 HE1 HIS 21 21.740 -10.925 -6.953
167 HE2 HIS 21 HE2 HIS 21 20.825 -8.804 -5.888
168 H VAL 22 HN VAL 22 28.154 -7.263 -6.160
169 HA VAL 22 HA VAL 22 29.507 -8.170 -8.478
170 HB VAL 22 HB VAL 22 30.696 -6.438 -6.299
171 HG11 VAL 22 HG11 VAL 22 31.320 -7.068 -9.149
172 HG12 VAL 22 HG12 VAL 22 32.414 -6.685 -7.819
173 HG13 VAL 22 HG13 VAL 22 31.538 -5.392 -8.641
174 HG21 VAL 22 HG21 VAL 22 29.187 -4.841 -6.753
175 HG22 VAL 22 HG22 VAL 22 28.313 -5.979 -7.774
176 HG23 VAL 22 HG23 VAL 22 29.556 -4.943 -8.472
177 H PHE 23 HN PHE 23 30.166 -8.589 -5.018
178 HA PHE 23 HA PHE 23 32.261 -10.555 -5.731
179 HB2 PHE 23 HB2 PHE 23 31.981 -9.103 -3.086
180 HB3 PHE 23 HB1 PHE 23 33.352 -10.050 -3.662
181 HD1 PHE 23 HD1 PHE 23 34.436 -9.259 -5.922
182 HD2 PHE 23 HD2 PHE 23 31.965 -6.799 -3.419
183 HE1 PHE 23 HE1 PHE 23 35.400 -7.232 -6.971
184 HE2 PHE 23 HE2 PHE 23 32.928 -4.766 -4.467
185 HZ PHE 23 HZ PHE 23 34.649 -4.981 -6.248
186 HN1 NH2 24 H1 PHE 23 29.545 -11.396 -5.740
187 HN2 NH2 24 H2 PHE 23 29.300 -12.431 -4.418
Start of MODEL 8
1 H1 VAL 1 HT1 VAL 1 6.510 10.368 7.914
2 H2 VAL 1 HT2 VAL 1 6.504 11.137 6.404
3 H3 VAL 1 HT3 VAL 1 7.881 10.299 6.919
4 HA VAL 1 HA VAL 1 5.486 8.704 6.876
5 HB VAL 1 HB VAL 1 5.651 8.435 4.363
6 HG11 VAL 1 HG11 VAL 1 4.122 10.211 3.932
7 HG12 VAL 1 HG12 VAL 1 4.853 11.247 5.157
8 HG13 VAL 1 HG13 VAL 1 3.917 9.832 5.642
9 HG21 VAL 1 HG21 VAL 1 7.109 9.675 3.131
10 HG22 VAL 1 HG22 VAL 1 7.907 10.036 4.661
11 HG23 VAL 1 HG23 VAL 1 6.710 11.153 4.010
12 H PHE 2 HN PHE 2 6.172 6.684 7.131
13 HA PHE 2 HA PHE 2 8.847 6.024 7.545
14 HB2 PHE 2 HB2 PHE 2 6.552 4.196 6.843
15 HB3 PHE 2 HB1 PHE 2 8.097 3.673 7.508
16 HD1 PHE 2 HD1 PHE 2 8.702 4.158 9.853
17 HD2 PHE 2 HD2 PHE 2 4.963 5.472 8.182
18 HE1 PHE 2 HE1 PHE 2 7.844 4.646 12.133
19 HE2 PHE 2 HE2 PHE 2 4.112 5.962 10.457
20 HZ PHE 2 HZ PHE 2 5.550 5.542 12.436
21 H GLN 3 HN GLN 3 6.878 5.697 4.658
22 HA GLN 3 HA GLN 3 8.481 4.075 3.102
23 HB2 GLN 3 HB2 GLN 3 7.630 5.690 1.173
24 HB3 GLN 3 HB1 GLN 3 6.541 4.575 1.992
25 HG2 GLN 3 HG2 GLN 3 6.936 7.341 3.092
26 HG3 GLN 3 HG1 GLN 3 5.859 7.092 1.724
27 HE21 GLN 3 HE21 GLN 3 3.933 5.696 2.084
28 HE22 GLN 3 HE22 GLN 3 3.380 5.396 3.660
29 H PHE 4 HN PHE 4 9.005 7.424 3.993
30 HA PHE 4 HA PHE 4 11.063 7.894 2.047
31 HB2 PHE 4 HB2 PHE 4 9.880 9.345 4.321
32 HB3 PHE 4 HB1 PHE 4 11.596 9.654 4.083
33 HD1 PHE 4 HD1 PHE 4 8.826 8.919 1.663
34 HD2 PHE 4 HD2 PHE 4 11.838 11.696 2.965
35 HE1 PHE 4 HE1 PHE 4 8.324 10.378 -0.278
36 HE2 PHE 4 HE2 PHE 4 11.323 13.148 1.027
37 HZ PHE 4 HZ PHE 4 9.577 12.491 -0.603
38 H LEU 5 HN LEU 5 11.079 7.219 5.532
39 HA LEU 5 HA LEU 5 13.880 6.962 5.785
40 HB2 LEU 5 HB2 LEU 5 12.307 5.225 7.559
41 HB3 LEU 5 HB1 LEU 5 13.434 6.516 7.965
42 HG LEU 5 HG LEU 5 10.567 6.909 7.058
43 HD11 LEU 5 HD11 LEU 5 10.610 6.047 9.306
44 HD12 LEU 5 HD12 LEU 5 10.294 7.777 9.401
45 HD13 LEU 5 HD13 LEU 5 11.902 7.154 9.762
46 HD21 LEU 5 HD21 LEU 5 12.859 8.690 7.168
47 HD22 LEU 5 HD22 LEU 5 11.574 9.250 8.236
48 HD23 LEU 5 HD23 LEU 5 11.246 8.994 6.522
49 H GLY 6 HN GLY 6 11.313 4.724 4.933
50 HA2 GLY 6 HA2 GLY 6 12.661 2.283 5.092
51 HA3 GLY 6 HA1 GLY 6 11.332 2.632 3.994
52 H LYS 7 HN LYS 7 12.458 4.551 2.300
53 HA LYS 7 HA LYS 7 14.088 2.852 0.690
54 HB2 LYS 7 HB2 LYS 7 14.315 4.945 -0.788
55 HB3 LYS 7 HB1 LYS 7 12.715 4.238 -0.611
56 HG2 LYS 7 HG2 LYS 7 12.269 6.515 -0.271
57 HG3 LYS 7 HG1 LYS 7 12.477 5.944 1.378
58 HD2 LYS 7 HD2 LYS 7 13.801 7.884 1.303
59 HD3 LYS 7 HD1 LYS 7 14.965 6.587 1.075
60 HE2 LYS 7 HE2 LYS 7 13.674 7.777 -1.352
61 HE3 LYS 7 HE1 LYS 7 14.946 8.692 -0.545
62 HZ1 LYS 7 HZ1 LYS 7 15.809 6.047 -0.743
63 HZ2 LYS 7 HZ2 LYS 7 16.429 7.410 -1.539
64 HZ3 LYS 7 HZ3 LYS 7 15.201 6.488 -2.262
65 H ILE 8 HN ILE 8 14.754 5.392 2.973
66 HA ILE 8 HA ILE 8 17.332 6.104 2.117
67 HB ILE 8 HB ILE 8 16.263 5.994 4.946
68 HG12 ILE 8 HG12 ILE 8 15.187 7.417 2.917
69 HG13 ILE 8 HG11 ILE 8 15.245 8.017 4.568
70 HG21 ILE 8 HG21 ILE 8 18.662 6.215 4.997
71 HG22 ILE 8 HG22 ILE 8 17.998 7.824 5.270
72 HG23 ILE 8 HG23 ILE 8 18.642 7.391 3.686
73 HD11 ILE 8 HD11 ILE 8 16.054 9.707 2.933
74 HD12 ILE 8 HD12 ILE 8 17.332 8.598 2.444
75 HD13 ILE 8 HD13 ILE 8 17.310 9.247 4.082
76 H ILE 9 HN ILE 9 16.412 3.733 4.644
77 HA ILE 9 HA ILE 9 19.020 2.757 5.067
78 HB ILE 9 HB ILE 9 17.739 0.647 5.855
79 HG12 ILE 9 HG12 ILE 9 15.305 2.190 6.217
80 HG13 ILE 9 HG11 ILE 9 15.648 1.952 4.510
81 HG21 ILE 9 HG21 ILE 9 16.995 3.278 7.150
82 HG22 ILE 9 HG22 ILE 9 18.608 2.576 7.261
83 HG23 ILE 9 HG23 ILE 9 17.227 1.720 7.941
84 HD11 ILE 9 HD11 ILE 9 14.281 0.112 5.558
85 HD12 ILE 9 HD12 ILE 9 15.688 -0.285 6.540
86 HD13 ILE 9 HD13 ILE 9 15.766 -0.442 4.784
87 H HIS 10 HN HIS 10 16.518 1.877 2.826
88 HA HIS 10 HA HIS 10 17.644 -0.491 1.797
89 HB2 HIS 10 HB2 HIS 10 15.268 0.644 1.453
90 HB3 HIS 10 HB1 HIS 10 16.054 1.316 0.024
91 HD2 HIS 10 HD2 HIS 10 15.145 -2.264 1.465
92 HE1 HIS 10 HE1 HIS 10 16.049 -2.655 -2.637
93 HE2 HIS 10 HE2 HIS 10 15.214 -3.884 -0.576
94 H HIS 11 HN HIS 11 18.202 2.921 1.048
95 HA HIS 11 HA HIS 11 19.624 2.432 -1.380
96 HB2 HIS 11 HB2 HIS 11 19.278 4.784 0.448
97 HB3 HIS 11 HB1 HIS 11 20.582 4.811 -0.736
98 HD2 HIS 11 HD2 HIS 11 17.351 2.988 -1.878
99 HE1 HIS 11 HE1 HIS 11 17.413 6.744 -3.799
100 HE2 HIS 11 HE2 HIS 11 16.256 4.483 -3.716
101 H VAL 12 HN VAL 12 20.509 2.847 1.991
102 HA VAL 12 HA VAL 12 23.307 2.697 1.634
103 HB VAL 12 HB VAL 12 22.288 1.674 4.160
104 HG11 VAL 12 HG11 VAL 12 23.668 4.285 3.524
105 HG12 VAL 12 HG12 VAL 12 24.531 2.749 3.659
106 HG13 VAL 12 HG13 VAL 12 23.682 3.412 5.057
107 HG21 VAL 12 HG21 VAL 12 21.222 4.307 3.110
108 HG22 VAL 12 HG22 VAL 12 21.215 3.860 4.817
109 HG23 VAL 12 HG23 VAL 12 20.290 2.917 3.657
110 H GLY 13 HN GLY 13 20.742 0.401 2.317
111 HA2 GLY 13 HA2 GLY 13 22.389 -1.909 2.588
112 HA3 GLY 13 HA1 GLY 13 20.665 -1.906 2.246
113 H ASN 14 HN ASN 14 20.763 -0.344 -0.105
114 HA ASN 14 HA ASN 14 21.027 -2.268 -2.088
115 HB2 ASN 14 HB2 ASN 14 19.759 -0.200 -2.394
116 HB3 ASN 14 HB1 ASN 14 21.249 0.734 -2.352
117 HD21 ASN 14 HD21 ASN 14 19.273 -1.386 -4.348
118 HD22 ASN 14 HD22 ASN 14 20.209 -1.235 -5.754
119 H PHE 15 HN PHE 15 23.489 -0.100 -0.771
120 HA PHE 15 HA PHE 15 25.355 -0.545 -2.903
121 HB2 PHE 15 HB2 PHE 15 25.396 0.783 -0.243
122 HB3 PHE 15 HB1 PHE 15 26.943 0.202 -0.858
123 HD1 PHE 15 HD1 PHE 15 28.153 1.558 -2.343
124 HD2 PHE 15 HD2 PHE 15 23.901 2.079 -2.009
125 HE1 PHE 15 HE1 PHE 15 28.275 3.497 -3.882
126 HE2 PHE 15 HE2 PHE 15 24.025 4.025 -3.550
127 HZ PHE 15 HZ PHE 15 26.213 4.730 -4.484
128 H VAL 16 HN VAL 16 24.641 -1.876 0.210
129 HA VAL 16 HA VAL 16 26.820 -3.675 0.369
130 HB VAL 16 HB VAL 16 24.241 -4.307 1.706
131 HG11 VAL 16 HG11 VAL 16 25.776 -4.524 3.643
132 HG12 VAL 16 HG12 VAL 16 27.104 -3.945 2.638
133 HG13 VAL 16 HG13 VAL 16 26.325 -5.485 2.269
134 HG21 VAL 16 HG21 VAL 16 25.794 -1.737 2.106
135 HG22 VAL 16 HG22 VAL 16 24.737 -2.407 3.350
136 HG23 VAL 16 HG23 VAL 16 24.071 -1.922 1.795
137 H HIS 17 HN HIS 17 23.455 -3.913 -0.629
138 HA HIS 17 HA HIS 17 23.445 -6.644 -1.319
139 HB2 HIS 17 HB2 HIS 17 21.769 -4.269 -2.022
140 HB3 HIS 17 HB1 HIS 17 21.623 -5.709 -3.028
141 HD2 HIS 17 HD2 HIS 17 21.047 -4.721 0.768
142 HE1 HIS 17 HE1 HIS 17 19.191 -8.442 0.011
143 HE2 HIS 17 HE2 HIS 17 19.517 -6.603 1.743
144 H GLY 18 HN GLY 18 24.166 -3.716 -3.205
145 HA2 GLY 18 HA2 GLY 18 24.673 -5.007 -5.677
146 HA3 GLY 18 HA1 GLY 18 25.323 -3.437 -5.187
147 H PHE 19 HN PHE 19 26.844 -3.953 -3.059
148 HA PHE 19 HA PHE 19 29.254 -4.925 -4.081
149 HB2 PHE 19 HB2 PHE 19 29.080 -3.471 -2.080
150 HB3 PHE 19 HB1 PHE 19 28.355 -4.805 -1.186
151 HD1 PHE 19 HD1 PHE 19 29.707 -6.941 -0.853
152 HD2 PHE 19 HD2 PHE 19 31.448 -3.301 -2.338
153 HE1 PHE 19 HE1 PHE 19 31.967 -7.787 -0.290
154 HE2 PHE 19 HE2 PHE 19 33.706 -4.150 -1.769
155 HZ PHE 19 HZ PHE 19 33.962 -6.392 -0.741
156 H SER 20 HN SER 20 26.855 -6.454 -2.015
157 HA SER 20 HA SER 20 28.111 -8.959 -1.774
158 HB2 SER 20 HB2 SER 20 25.129 -8.458 -1.790
159 HB3 SER 20 HB1 SER 20 25.983 -9.791 -1.019
160 HG SER 20 HG SER 20 26.164 -7.016 -0.384
161 H HIS 21 HN HIS 21 25.883 -7.648 -4.148
162 HA HIS 21 HA HIS 21 25.504 -10.061 -5.609
163 HB2 HIS 21 HB2 HIS 21 24.510 -7.429 -5.763
164 HB3 HIS 21 HB1 HIS 21 25.329 -7.713 -7.295
165 HD2 HIS 21 HD2 HIS 21 24.357 -10.134 -8.674
166 HE1 HIS 21 HE1 HIS 21 20.685 -10.146 -6.584
167 HE2 HIS 21 HE2 HIS 21 21.939 -11.129 -8.570
168 H VAL 22 HN VAL 22 27.658 -7.266 -6.061
169 HA VAL 22 HA VAL 22 28.942 -8.175 -8.387
170 HB VAL 22 HB VAL 22 30.022 -6.464 -6.130
171 HG11 VAL 22 HG11 VAL 22 31.708 -7.566 -7.750
172 HG12 VAL 22 HG12 VAL 22 31.787 -5.815 -7.550
173 HG13 VAL 22 HG13 VAL 22 31.013 -6.507 -8.980
174 HG21 VAL 22 HG21 VAL 22 29.316 -5.244 -8.719
175 HG22 VAL 22 HG22 VAL 22 28.918 -4.717 -7.082
176 HG23 VAL 22 HG23 VAL 22 27.937 -5.951 -7.874
177 H PHE 23 HN PHE 23 29.854 -8.574 -4.964
178 HA PHE 23 HA PHE 23 32.058 -10.317 -5.615
179 HB2 PHE 23 HB2 PHE 23 30.785 -9.294 -3.117
180 HB3 PHE 23 HB1 PHE 23 31.733 -10.776 -3.007
181 HD1 PHE 23 HD1 PHE 23 34.130 -10.783 -3.386
182 HD2 PHE 23 HD2 PHE 23 31.841 -7.176 -3.846
183 HE1 PHE 23 HE1 PHE 23 36.226 -9.458 -3.470
184 HE2 PHE 23 HE2 PHE 23 33.937 -5.855 -3.929
185 HZ PHE 23 HZ PHE 23 36.133 -6.995 -3.743
186 HN1 NH2 24 H1 PHE 23 28.644 -10.797 -5.119
187 HN2 NH2 24 H2 PHE 23 28.688 -12.496 -5.092
Start of MODEL 9
1 H1 VAL 1 HT1 VAL 1 6.238 9.256 6.855
2 H2 VAL 1 HT2 VAL 1 7.625 10.172 6.508
3 H3 VAL 1 HT3 VAL 1 6.368 10.842 7.429
4 HA VAL 1 HA VAL 1 8.148 10.260 8.889
5 HB VAL 1 HB VAL 1 6.062 8.073 9.164
6 HG11 VAL 1 HG11 VAL 1 6.297 8.739 11.588
7 HG12 VAL 1 HG12 VAL 1 7.608 9.817 11.111
8 HG13 VAL 1 HG13 VAL 1 7.772 8.074 10.886
9 HG21 VAL 1 HG21 VAL 1 5.718 11.024 9.164
10 HG22 VAL 1 HG22 VAL 1 4.969 10.165 10.508
11 HG23 VAL 1 HG23 VAL 1 4.543 9.753 8.849
12 H PHE 2 HN PHE 2 7.380 7.022 9.166
13 HA PHE 2 HA PHE 2 9.946 6.056 8.629
14 HB2 PHE 2 HB2 PHE 2 7.828 4.090 8.117
15 HB3 PHE 2 HB1 PHE 2 9.109 4.072 9.329
16 HD1 PHE 2 HD1 PHE 2 8.796 5.172 11.506
17 HD2 PHE 2 HD2 PHE 2 5.656 5.063 8.579
18 HE1 PHE 2 HE1 PHE 2 7.166 5.872 13.229
19 HE2 PHE 2 HE2 PHE 2 4.023 5.760 10.307
20 HZ PHE 2 HZ PHE 2 4.774 6.164 12.636
21 H GLN 3 HN GLN 3 7.228 6.605 6.552
22 HA GLN 3 HA GLN 3 7.960 5.078 4.309
23 HB2 GLN 3 HB2 GLN 3 6.662 7.805 4.150
24 HB3 GLN 3 HB1 GLN 3 6.446 6.428 3.067
25 HG2 GLN 3 HG2 GLN 3 4.559 6.109 4.318
26 HG3 GLN 3 HG1 GLN 3 5.684 5.283 5.390
27 HE21 GLN 3 HE21 GLN 3 3.162 7.200 5.732
28 HE22 GLN 3 HE22 GLN 3 3.673 8.207 6.999
29 H PHE 4 HN PHE 4 9.212 8.100 5.551
30 HA PHE 4 HA PHE 4 10.588 8.830 3.129
31 HB2 PHE 4 HB2 PHE 4 10.156 9.967 5.742
32 HB3 PHE 4 HB1 PHE 4 11.874 10.014 5.354
33 HD1 PHE 4 HD1 PHE 4 12.241 12.310 4.823
34 HD2 PHE 4 HD2 PHE 4 8.983 10.196 2.977
35 HE1 PHE 4 HE1 PHE 4 11.827 14.246 3.325
36 HE2 PHE 4 HE2 PHE 4 8.575 12.133 1.480
37 HZ PHE 4 HZ PHE 4 9.990 14.158 1.657
38 H LEU 5 HN LEU 5 11.373 7.156 6.101
39 HA LEU 5 HA LEU 5 14.147 6.855 5.564
40 HB2 LEU 5 HB2 LEU 5 12.756 4.853 7.254
41 HB3 LEU 5 HB1 LEU 5 14.256 5.729 7.551
42 HG LEU 5 HG LEU 5 11.469 6.939 7.709
43 HD11 LEU 5 HD11 LEU 5 11.763 6.917 10.102
44 HD12 LEU 5 HD12 LEU 5 13.420 6.341 9.947
45 HD13 LEU 5 HD13 LEU 5 12.078 5.281 9.521
46 HD21 LEU 5 HD21 LEU 5 12.826 8.793 8.864
47 HD22 LEU 5 HD22 LEU 5 13.006 8.672 7.118
48 HD23 LEU 5 HD23 LEU 5 14.255 8.026 8.178
49 H GLY 6 HN GLY 6 11.260 5.085 4.781
50 HA2 GLY 6 HA2 GLY 6 12.243 2.568 4.172
51 HA3 GLY 6 HA1 GLY 6 10.869 3.303 3.369
52 H LYS 7 HN LYS 7 12.111 5.390 1.934
53 HA LYS 7 HA LYS 7 13.289 3.876 -0.187
54 HB2 LYS 7 HB2 LYS 7 13.770 6.763 -0.327
55 HB3 LYS 7 HB1 LYS 7 12.975 5.694 -1.478
56 HG2 LYS 7 HG2 LYS 7 11.138 6.923 -0.850
57 HG3 LYS 7 HG1 LYS 7 11.077 5.722 0.439
58 HD2 LYS 7 HD2 LYS 7 11.315 7.369 1.934
59 HD3 LYS 7 HD1 LYS 7 12.923 7.691 1.292
60 HE2 LYS 7 HE2 LYS 7 10.319 8.920 0.329
61 HE3 LYS 7 HE1 LYS 7 11.595 9.739 1.228
62 HZ1 LYS 7 HZ1 LYS 7 13.047 8.883 -0.746
63 HZ2 LYS 7 HZ2 LYS 7 12.128 10.303 -0.905
64 HZ3 LYS 7 HZ3 LYS 7 11.564 8.844 -1.560
65 H ILE 8 HN ILE 8 14.462 5.811 2.450
66 HA ILE 8 HA ILE 8 17.125 6.160 1.591
67 HB ILE 8 HB ILE 8 16.033 5.937 4.408
68 HG12 ILE 8 HG12 ILE 8 15.064 7.705 2.803
69 HG13 ILE 8 HG11 ILE 8 15.692 8.273 4.345
70 HG21 ILE 8 HG21 ILE 8 18.059 7.394 4.901
71 HG22 ILE 8 HG22 ILE 8 18.643 6.986 3.288
72 HG23 ILE 8 HG23 ILE 8 18.420 5.717 4.493
73 HD11 ILE 8 HD11 ILE 8 17.665 8.125 2.134
74 HD12 ILE 8 HD12 ILE 8 17.455 9.357 3.380
75 HD13 ILE 8 HD13 ILE 8 16.410 9.353 1.963
76 H ILE 9 HN ILE 9 15.745 3.720 3.839
77 HA ILE 9 HA ILE 9 18.129 2.240 4.128
78 HB ILE 9 HB ILE 9 16.488 0.306 4.631
79 HG12 ILE 9 HG12 ILE 9 14.279 1.873 5.341
80 HG13 ILE 9 HG11 ILE 9 14.675 2.395 3.709
81 HG21 ILE 9 HG21 ILE 9 15.837 1.499 6.806
82 HG22 ILE 9 HG22 ILE 9 16.640 2.921 6.144
83 HG23 ILE 9 HG23 ILE 9 17.555 1.443 6.430
84 HD11 ILE 9 HD11 ILE 9 14.731 -0.025 3.023
85 HD12 ILE 9 HD12 ILE 9 13.144 0.542 3.536
86 HD13 ILE 9 HD13 ILE 9 14.124 -0.434 4.627
87 H HIS 10 HN HIS 10 15.598 2.176 1.781
88 HA HIS 10 HA HIS 10 16.124 -0.206 0.438
89 HB2 HIS 10 HB2 HIS 10 14.635 2.244 -0.056
90 HB3 HIS 10 HB1 HIS 10 15.330 1.595 -1.540
91 HD2 HIS 10 HD2 HIS 10 13.166 0.106 1.455
92 HE1 HIS 10 HE1 HIS 10 12.155 -1.879 -2.128
93 HE2 HIS 10 HE2 HIS 10 11.620 -1.681 0.351
94 H HIS 11 HN HIS 11 17.709 2.950 0.162
95 HA HIS 11 HA HIS 11 19.185 2.266 -2.205
96 HB2 HIS 11 HB2 HIS 11 19.216 4.508 -0.225
97 HB3 HIS 11 HB1 HIS 11 20.656 4.253 -1.213
98 HD2 HIS 11 HD2 HIS 11 16.906 5.324 -1.693
99 HE1 HIS 11 HE1 HIS 11 18.892 5.737 -5.395
100 HE2 HIS 11 HE2 HIS 11 16.715 6.177 -4.155
101 H VAL 12 HN VAL 12 19.798 2.305 1.247
102 HA VAL 12 HA VAL 12 22.487 1.534 1.213
103 HB VAL 12 HB VAL 12 20.817 0.503 3.405
104 HG11 VAL 12 HG11 VAL 12 23.240 0.717 3.600
105 HG12 VAL 12 HG12 VAL 12 22.467 1.865 4.700
106 HG13 VAL 12 HG13 VAL 12 23.145 2.424 3.171
107 HG21 VAL 12 HG21 VAL 12 20.818 3.442 2.645
108 HG22 VAL 12 HG22 VAL 12 20.343 2.837 4.232
109 HG23 VAL 12 HG23 VAL 12 19.416 2.386 2.808
110 H GLY 13 HN GLY 13 19.487 -0.251 1.026
111 HA2 GLY 13 HA2 GLY 13 20.458 -2.864 1.420
112 HA3 GLY 13 HA1 GLY 13 19.026 -2.448 0.482
113 H ASN 14 HN ASN 14 20.380 -0.758 -1.382
114 HA ASN 14 HA ASN 14 21.140 -2.652 -3.335
115 HB2 ASN 14 HB2 ASN 14 20.851 -0.906 -4.709
116 HB3 ASN 14 HB1 ASN 14 20.509 0.086 -3.292
117 HD21 ASN 14 HD21 ASN 14 22.292 1.378 -2.395
118 HD22 ASN 14 HD22 ASN 14 23.693 1.676 -3.319
119 H PHE 15 HN PHE 15 22.979 -0.850 -0.948
120 HA PHE 15 HA PHE 15 25.528 -1.186 -2.185
121 HB2 PHE 15 HB2 PHE 15 24.611 -0.515 0.603
122 HB3 PHE 15 HB1 PHE 15 26.305 -0.885 0.288
123 HD1 PHE 15 HD1 PHE 15 23.522 1.418 -0.566
124 HD2 PHE 15 HD2 PHE 15 27.729 0.637 -0.914
125 HE1 PHE 15 HE1 PHE 15 23.870 3.709 -1.445
126 HE2 PHE 15 HE2 PHE 15 28.074 2.930 -1.793
127 HZ PHE 15 HZ PHE 15 26.148 4.465 -2.062
128 H VAL 16 HN VAL 16 23.578 -2.926 0.096
129 HA VAL 16 HA VAL 16 25.400 -4.920 0.828
130 HB VAL 16 HB VAL 16 22.501 -5.542 0.588
131 HG11 VAL 16 HG11 VAL 16 24.622 -6.618 1.927
132 HG12 VAL 16 HG12 VAL 16 22.945 -6.806 2.434
133 HG13 VAL 16 HG13 VAL 16 23.951 -5.555 3.164
134 HG21 VAL 16 HG21 VAL 16 23.667 -3.280 2.242
135 HG22 VAL 16 HG22 VAL 16 22.139 -4.051 2.643
136 HG23 VAL 16 HG23 VAL 16 22.318 -3.201 1.118
137 H HIS 17 HN HIS 17 22.920 -4.782 -1.679
138 HA HIS 17 HA HIS 17 23.524 -7.308 -2.829
139 HB2 HIS 17 HB2 HIS 17 21.392 -6.115 -3.294
140 HB3 HIS 17 HB1 HIS 17 22.298 -4.874 -4.165
141 HD2 HIS 17 HD2 HIS 17 23.465 -5.779 -6.640
142 HE1 HIS 17 HE1 HIS 17 21.309 -9.408 -6.755
143 HE2 HIS 17 HE2 HIS 17 22.819 -7.857 -8.086
144 H GLY 18 HN GLY 18 24.556 -3.971 -3.464
145 HA2 GLY 18 HA2 GLY 18 26.186 -4.453 -5.702
146 HA3 GLY 18 HA1 GLY 18 26.431 -3.144 -4.543
147 H PHE 19 HN PHE 19 26.945 -4.427 -2.223
148 HA PHE 19 HA PHE 19 29.640 -5.175 -2.390
149 HB2 PHE 19 HB2 PHE 19 27.516 -5.295 -0.340
150 HB3 PHE 19 HB1 PHE 19 28.822 -6.457 -0.127
151 HD1 PHE 19 HD1 PHE 19 28.647 -2.895 -1.334
152 HD2 PHE 19 HD2 PHE 19 30.411 -5.709 1.394
153 HE1 PHE 19 HE1 PHE 19 30.096 -1.101 -0.415
154 HE2 PHE 19 HE2 PHE 19 31.851 -3.918 2.303
155 HZ PHE 19 HZ PHE 19 31.701 -1.615 1.408
156 H SER 20 HN SER 20 26.725 -7.135 -2.112
157 HA SER 20 HA SER 20 27.953 -9.654 -2.214
158 HB2 SER 20 HB2 SER 20 25.229 -8.959 -3.324
159 HB3 SER 20 HB1 SER 20 25.779 -10.528 -2.745
160 HG SER 20 HG SER 20 25.226 -8.154 -1.278
161 H HIS 21 HN HIS 21 26.812 -7.479 -4.713
162 HA HIS 21 HA HIS 21 27.260 -9.148 -6.945
163 HB2 HIS 21 HB2 HIS 21 26.365 -6.514 -6.519
164 HB3 HIS 21 HB1 HIS 21 27.800 -6.359 -7.527
165 HD2 HIS 21 HD2 HIS 21 24.828 -9.021 -7.731
166 HE1 HIS 21 HE1 HIS 21 25.489 -7.353 -11.556
167 HE2 HIS 21 HE2 HIS 21 24.113 -9.044 -10.244
168 H VAL 22 HN VAL 22 29.280 -6.621 -5.444
169 HA VAL 22 HA VAL 22 31.550 -7.084 -7.096
170 HB VAL 22 HB VAL 22 31.451 -5.914 -4.300
171 HG11 VAL 22 HG11 VAL 22 33.602 -6.442 -6.174
172 HG12 VAL 22 HG12 VAL 22 33.691 -5.797 -4.537
173 HG13 VAL 22 HG13 VAL 22 33.441 -4.707 -5.900
174 HG21 VAL 22 HG21 VAL 22 30.031 -4.934 -6.342
175 HG22 VAL 22 HG22 VAL 22 31.599 -4.274 -6.802
176 HG23 VAL 22 HG23 VAL 22 30.895 -3.867 -5.238
177 H PHE 23 HN PHE 23 30.513 -8.338 -3.952
178 HA PHE 23 HA PHE 23 32.872 -9.819 -3.378
179 HB2 PHE 23 HB2 PHE 23 30.059 -9.799 -2.372
180 HB3 PHE 23 HB1 PHE 23 31.026 -11.236 -2.053
181 HD1 PHE 23 HD1 PHE 23 31.947 -11.215 0.076
182 HD2 PHE 23 HD2 PHE 23 31.731 -7.535 -2.125
183 HE1 PHE 23 HE1 PHE 23 33.099 -10.040 1.931
184 HE2 PHE 23 HE2 PHE 23 32.879 -6.360 -0.272
185 HZ PHE 23 HZ PHE 23 33.569 -7.612 1.757
186 HN1 NH2 24 H1 PHE 23 29.743 -10.839 -4.855
187 HN2 NH2 24 H2 PHE 23 30.386 -12.230 -5.591
Start of MODEL 10
1 H1 VAL 1 HT1 VAL 1 8.173 10.689 9.378
2 H2 VAL 1 HT2 VAL 1 7.888 12.083 8.456
3 H3 VAL 1 HT3 VAL 1 9.285 11.154 8.197
4 HA VAL 1 HA VAL 1 6.546 10.120 7.789
5 HB VAL 1 HB VAL 1 8.511 11.179 5.727
6 HG11 VAL 1 HG11 VAL 1 7.340 9.678 4.463
7 HG12 VAL 1 HG12 VAL 1 6.115 10.943 4.462
8 HG13 VAL 1 HG13 VAL 1 5.996 9.604 5.603
9 HG21 VAL 1 HG21 VAL 1 6.307 12.703 5.417
10 HG22 VAL 1 HG22 VAL 1 7.635 13.166 6.475
11 HG23 VAL 1 HG23 VAL 1 6.196 12.404 7.149
12 H PHE 2 HN PHE 2 6.782 7.992 8.146
13 HA PHE 2 HA PHE 2 9.188 6.581 8.202
14 HB2 PHE 2 HB2 PHE 2 6.378 5.586 7.717
15 HB3 PHE 2 HB1 PHE 2 7.760 4.533 8.007
16 HD1 PHE 2 HD1 PHE 2 5.088 6.163 9.566
17 HD2 PHE 2 HD2 PHE 2 9.263 5.316 10.106
18 HE1 PHE 2 HE1 PHE 2 4.842 6.505 12.011
19 HE2 PHE 2 HE2 PHE 2 9.022 5.660 12.552
20 HZ PHE 2 HZ PHE 2 6.804 6.250 13.509
21 H GLN 3 HN GLN 3 6.973 7.193 5.552
22 HA GLN 3 HA GLN 3 7.943 5.414 3.645
23 HB2 GLN 3 HB2 GLN 3 6.518 7.993 3.584
24 HB3 GLN 3 HB1 GLN 3 7.442 7.629 2.127
25 HG2 GLN 3 HG2 GLN 3 5.855 5.380 3.237
26 HG3 GLN 3 HG1 GLN 3 4.920 6.715 2.567
27 HE21 GLN 3 HE21 GLN 3 7.286 4.196 1.757
28 HE22 GLN 3 HE22 GLN 3 7.121 4.347 0.074
29 H PHE 4 HN PHE 4 9.393 8.303 4.948
30 HA PHE 4 HA PHE 4 11.391 8.541 2.862
31 HB2 PHE 4 HB2 PHE 4 10.859 9.913 5.476
32 HB3 PHE 4 HB1 PHE 4 12.485 9.986 4.806
33 HD1 PHE 4 HD1 PHE 4 12.888 11.952 3.681
34 HD2 PHE 4 HD2 PHE 4 9.018 10.123 3.337
35 HE1 PHE 4 HE1 PHE 4 12.193 13.725 2.105
36 HE2 PHE 4 HE2 PHE 4 8.318 11.903 1.755
37 HZ PHE 4 HZ PHE 4 9.907 13.702 1.137
38 H LEU 5 HN LEU 5 11.192 7.313 6.154
39 HA LEU 5 HA LEU 5 13.899 6.480 6.340
40 HB2 LEU 5 HB2 LEU 5 11.761 5.100 7.901
41 HB3 LEU 5 HB1 LEU 5 13.344 5.678 8.430
42 HG LEU 5 HG LEU 5 10.950 7.434 7.759
43 HD11 LEU 5 HD11 LEU 5 12.151 7.415 10.466
44 HD12 LEU 5 HD12 LEU 5 11.260 5.961 10.015
45 HD13 LEU 5 HD13 LEU 5 10.455 7.532 9.978
46 HD21 LEU 5 HD21 LEU 5 13.765 7.994 7.907
47 HD22 LEU 5 HD22 LEU 5 12.948 8.800 9.244
48 HD23 LEU 5 HD23 LEU 5 12.438 9.102 7.585
49 H GLY 6 HN GLY 6 10.954 5.040 5.154
50 HA2 GLY 6 HA2 GLY 6 11.721 2.344 5.092
51 HA3 GLY 6 HA1 GLY 6 10.518 3.082 4.048
52 H LYS 7 HN LYS 7 12.089 4.868 2.574
53 HA LYS 7 HA LYS 7 13.277 3.050 0.737
54 HB2 LYS 7 HB2 LYS 7 14.036 5.202 -0.432
55 HB3 LYS 7 HB1 LYS 7 12.305 4.910 -0.294
56 HG2 LYS 7 HG2 LYS 7 12.415 7.117 0.400
57 HG3 LYS 7 HG1 LYS 7 12.567 6.301 1.948
58 HD2 LYS 7 HD2 LYS 7 14.378 7.686 2.126
59 HD3 LYS 7 HD1 LYS 7 15.157 6.352 1.286
60 HE2 LYS 7 HE2 LYS 7 15.671 8.545 0.247
61 HE3 LYS 7 HE1 LYS 7 14.819 7.473 -0.865
62 HZ1 LYS 7 HZ1 LYS 7 12.827 8.629 -0.536
63 HZ2 LYS 7 HZ2 LYS 7 14.000 9.841 -0.698
64 HZ3 LYS 7 HZ3 LYS 7 13.401 9.433 0.835
65 H ILE 8 HN ILE 8 14.484 5.020 3.318
66 HA ILE 8 HA ILE 8 17.154 5.298 2.606
67 HB ILE 8 HB ILE 8 15.921 4.884 5.341
68 HG12 ILE 8 HG12 ILE 8 15.437 6.947 3.814
69 HG13 ILE 8 HG11 ILE 8 15.878 7.223 5.497
70 HG21 ILE 8 HG21 ILE 8 18.223 4.261 5.581
71 HG22 ILE 8 HG22 ILE 8 18.094 5.923 6.151
72 HG23 ILE 8 HG23 ILE 8 18.760 5.590 4.552
73 HD11 ILE 8 HD11 ILE 8 18.172 7.691 4.878
74 HD12 ILE 8 HD12 ILE 8 17.109 8.686 3.882
75 HD13 ILE 8 HD13 ILE 8 17.850 7.237 3.202
76 H ILE 9 HN ILE 9 15.749 2.632 4.575
77 HA ILE 9 HA ILE 9 18.104 1.120 4.784
78 HB ILE 9 HB ILE 9 16.461 -0.863 4.973
79 HG12 ILE 9 HG12 ILE 9 14.313 1.138 5.421
80 HG13 ILE 9 HG11 ILE 9 14.724 0.823 3.737
81 HG21 ILE 9 HG21 ILE 9 17.353 0.140 6.959
82 HG22 ILE 9 HG22 ILE 9 15.612 0.043 7.193
83 HG23 ILE 9 HG23 ILE 9 16.356 1.580 6.759
84 HD11 ILE 9 HD11 ILE 9 13.046 -0.729 5.318
85 HD12 ILE 9 HD12 ILE 9 14.556 -1.639 5.291
86 HD13 ILE 9 HD13 ILE 9 13.755 -1.212 3.777
87 H HIS 10 HN HIS 10 15.642 1.231 2.354
88 HA HIS 10 HA HIS 10 16.513 -0.940 0.767
89 HB2 HIS 10 HB2 HIS 10 14.253 0.183 0.689
90 HB3 HIS 10 HB1 HIS 10 15.015 1.520 -0.159
91 HD2 HIS 10 HD2 HIS 10 16.642 -1.666 -1.420
92 HE1 HIS 10 HE1 HIS 10 13.398 -0.947 -4.032
93 HE2 HIS 10 HE2 HIS 10 15.522 -2.308 -3.693
94 H HIS 11 HN HIS 11 17.451 2.454 0.939
95 HA HIS 11 HA HIS 11 18.858 2.476 -1.562
96 HB2 HIS 11 HB2 HIS 11 18.591 4.295 0.784
97 HB3 HIS 11 HB1 HIS 11 20.032 4.487 -0.213
98 HD2 HIS 11 HD2 HIS 11 16.331 3.771 -1.493
99 HE1 HIS 11 HE1 HIS 11 17.797 7.266 -3.355
100 HE2 HIS 11 HE2 HIS 11 15.838 5.649 -3.239
101 H VAL 12 HN VAL 12 19.657 1.909 1.789
102 HA VAL 12 HA VAL 12 22.445 1.692 1.473
103 HB VAL 12 HB VAL 12 21.118 0.083 3.565
104 HG11 VAL 12 HG11 VAL 12 22.982 2.385 3.989
105 HG12 VAL 12 HG12 VAL 12 23.608 0.907 3.250
106 HG13 VAL 12 HG13 VAL 12 22.879 0.861 4.859
107 HG21 VAL 12 HG21 VAL 12 20.523 2.973 3.068
108 HG22 VAL 12 HG22 VAL 12 20.745 2.449 4.735
109 HG23 VAL 12 HG23 VAL 12 19.494 1.716 3.741
110 H GLY 13 HN GLY 13 19.853 -0.718 1.596
111 HA2 GLY 13 HA2 GLY 13 21.423 -3.025 1.299
112 HA3 GLY 13 HA1 GLY 13 19.748 -2.879 0.786
113 H ASN 14 HN ASN 14 19.956 -0.877 -1.084
114 HA ASN 14 HA ASN 14 20.653 -2.249 -3.417
115 HB2 ASN 14 HB2 ASN 14 19.146 -0.479 -3.713
116 HB3 ASN 14 HB1 ASN 14 20.136 0.649 -2.790
117 HD21 ASN 14 HD21 ASN 14 20.449 -1.380 -5.772
118 HD22 ASN 14 HD22 ASN 14 21.283 -0.193 -6.653
119 H PHE 15 HN PHE 15 22.585 -0.272 -1.247
120 HA PHE 15 HA PHE 15 24.765 0.082 -3.096
121 HB2 PHE 15 HB2 PHE 15 24.061 1.360 -0.798
122 HB3 PHE 15 HB1 PHE 15 25.291 0.257 -0.181
123 HD1 PHE 15 HD1 PHE 15 24.641 2.803 -2.838
124 HD2 PHE 15 HD2 PHE 15 27.600 0.666 -0.563
125 HE1 PHE 15 HE1 PHE 15 26.421 4.251 -3.792
126 HE2 PHE 15 HE2 PHE 15 29.375 2.113 -1.513
127 HZ PHE 15 HZ PHE 15 28.786 3.902 -3.129
128 H VAL 16 HN VAL 16 24.027 -1.865 -0.293
129 HA VAL 16 HA VAL 16 26.392 -3.352 -0.180
130 HB VAL 16 HB VAL 16 23.802 -4.579 0.631
131 HG11 VAL 16 HG11 VAL 16 25.130 -5.130 2.606
132 HG12 VAL 16 HG12 VAL 16 26.441 -4.092 2.038
133 HG13 VAL 16 HG13 VAL 16 26.029 -5.561 1.153
134 HG21 VAL 16 HG21 VAL 16 24.761 -1.869 1.409
135 HG22 VAL 16 HG22 VAL 16 24.266 -2.920 2.734
136 HG23 VAL 16 HG23 VAL 16 23.136 -2.542 1.444
137 H HIS 17 HN HIS 17 23.459 -3.703 -2.039
138 HA HIS 17 HA HIS 17 23.806 -6.324 -2.987
139 HB2 HIS 17 HB2 HIS 17 21.777 -4.884 -3.402
140 HB3 HIS 17 HB1 HIS 17 22.722 -4.001 -4.605
141 HD2 HIS 17 HD2 HIS 17 21.668 -5.045 -6.955
142 HE1 HIS 17 HE1 HIS 17 22.144 -9.136 -6.010
143 HE2 HIS 17 HE2 HIS 17 21.480 -7.500 -7.835
144 H GLY 18 HN GLY 18 25.100 -3.221 -4.082
145 HA2 GLY 18 HA2 GLY 18 26.462 -4.080 -6.382
146 HA3 GLY 18 HA1 GLY 18 26.950 -2.720 -5.371
147 H PHE 19 HN PHE 19 27.466 -3.972 -2.985
148 HA PHE 19 HA PHE 19 30.054 -5.068 -3.432
149 HB2 PHE 19 HB2 PHE 19 29.549 -3.804 -1.384
150 HB3 PHE 19 HB1 PHE 19 28.356 -5.017 -0.916
151 HD1 PHE 19 HD1 PHE 19 29.030 -6.949 0.309
152 HD2 PHE 19 HD2 PHE 19 31.952 -4.568 -1.744
153 HE1 PHE 19 HE1 PHE 19 30.854 -8.270 1.364
154 HE2 PHE 19 HE2 PHE 19 33.765 -5.882 -0.699
155 HZ PHE 19 HZ PHE 19 33.224 -7.732 0.852
156 H SER 20 HN SER 20 26.900 -6.352 -2.595
157 HA SER 20 HA SER 20 27.552 -9.011 -2.092
158 HB2 SER 20 HB2 SER 20 25.085 -8.135 -3.595
159 HB3 SER 20 HB1 SER 20 25.263 -9.532 -2.536
160 HG SER 20 HG SER 20 25.628 -6.838 -1.684
161 H HIS 21 HN HIS 21 26.989 -7.323 -5.108
162 HA HIS 21 HA HIS 21 27.122 -9.504 -6.881
163 HB2 HIS 21 HB2 HIS 21 26.486 -7.086 -7.415
164 HB3 HIS 21 HB1 HIS 21 28.216 -6.745 -7.465
165 HD2 HIS 21 HD2 HIS 21 26.072 -9.651 -9.190
166 HE1 HIS 21 HE1 HIS 21 28.761 -8.019 -12.003
167 HE2 HIS 21 HE2 HIS 21 26.958 -9.773 -11.644
168 H VAL 22 HN VAL 22 29.625 -7.447 -5.461
169 HA VAL 22 HA VAL 22 31.806 -8.695 -6.833
170 HB VAL 22 HB VAL 22 31.951 -7.235 -4.186
171 HG11 VAL 22 HG11 VAL 22 34.003 -8.332 -4.977
172 HG12 VAL 22 HG12 VAL 22 34.163 -6.581 -5.058
173 HG13 VAL 22 HG13 VAL 22 33.855 -7.503 -6.527
174 HG21 VAL 22 HG21 VAL 22 31.179 -6.238 -6.858
175 HG22 VAL 22 HG22 VAL 22 32.514 -5.354 -6.119
176 HG23 VAL 22 HG23 VAL 22 30.970 -5.486 -5.276
177 H PHE 23 HN PHE 23 30.259 -9.067 -3.676
178 HA PHE 23 HA PHE 23 31.991 -10.976 -2.566
179 HB2 PHE 23 HB2 PHE 23 30.103 -9.749 -1.395
180 HB3 PHE 23 HB1 PHE 23 28.998 -10.897 -2.151
181 HD1 PHE 23 HD1 PHE 23 28.969 -13.247 -1.504
182 HD2 PHE 23 HD2 PHE 23 31.723 -10.494 0.300
183 HE1 PHE 23 HE1 PHE 23 29.474 -14.913 0.265
184 HE2 PHE 23 HE2 PHE 23 32.229 -12.158 2.069
185 HZ PHE 23 HZ PHE 23 31.107 -14.368 2.052
186 HN1 NH2 24 H1 PHE 23 28.979 -11.534 -4.463
187 HN2 NH2 24 H2 PHE 23 29.377 -13.132 -4.889