Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
636369 | 6d37 RC | 30453 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 HA2 ALA 1 19.652 0.773 -6.477
2 H2 ACE 1 HA3 ALA 1 20.588 1.583 -7.742
3 H3 ACE 1 HA1 ALA 1 20.333 2.379 -6.182
4 H ALA 2 HN ALA 1 22.802 1.532 -7.685
5 HA ALA 2 HA ALA 1 24.005 -0.609 -6.250
6 HB1 ALA 2 HB2 ALA 1 26.076 0.074 -7.317
7 HB2 ALA 2 HB3 ALA 1 25.344 1.603 -7.805
8 HB3 ALA 2 HB1 ALA 1 24.754 0.086 -8.485
9 H TYR 3 HN TYR 2 24.370 2.936 -6.024
10 HA TYR 3 HA TYR 2 26.152 2.874 -3.821
11 HB2 TYR 3 HB2 TYR 2 25.800 4.810 -5.408
12 HB3 TYR 3 HB1 TYR 2 24.295 5.143 -4.558
13 HD1 TYR 3 HD1 TYR 2 27.910 5.425 -4.477
14 HD2 TYR 3 HD2 TYR 2 24.352 5.870 -2.184
15 HE1 TYR 3 HE1 TYR 2 29.143 6.779 -2.836
16 HE2 TYR 3 HE2 TYR 2 25.581 7.223 -0.536
17 HH TYR 3 HH TYR 2 28.684 7.268 -0.134
18 H ALA 4 HN ALA 3 22.628 3.200 -4.067
19 HA ALA 4 HA ALA 3 22.090 3.726 -1.364
20 HB1 ALA 4 HB1 ALA 3 20.333 2.235 -3.310
21 HB2 ALA 4 HB2 ALA 3 20.455 3.991 -3.197
22 HB3 ALA 4 HB3 ALA 3 19.819 3.061 -1.839
23 H GLN 5 HN GLN 4 22.450 0.666 -3.121
24 HA GLN 5 HA GLN 4 21.724 -1.039 -0.984
25 HB2 GLN 5 HB2 GLN 4 21.840 -1.737 -3.374
26 HB3 GLN 5 HB1 GLN 4 23.593 -1.639 -3.287
27 HG2 GLN 5 HG2 GLN 4 23.781 -3.588 -2.186
28 HG3 GLN 5 HG1 GLN 4 22.327 -3.311 -1.228
29 HE21 GLN 5 HE21 GLN 4 20.295 -3.847 -2.128
30 HE22 GLN 5 HE22 GLN 4 20.165 -4.979 -3.426
31 H TRP 6 HN TRP 5 24.806 0.339 -2.036
32 HA TRP 6 HA TRP 5 26.576 -1.060 -0.427
33 HB2 TRP 6 HB2 TRP 5 27.421 0.431 -2.103
34 HB3 TRP 6 HB1 TRP 5 26.623 1.813 -1.365
35 HD1 TRP 6 HD1 TRP 5 29.451 -0.696 -0.478
36 HE1 TRP 6 HE1 TRP 5 31.199 0.554 0.933
37 HE3 TRP 6 HE3 TRP 5 27.106 3.831 -0.104
38 HZ2 TRP 6 HZ2 TRP 5 31.543 3.118 2.056
39 HZ3 TRP 6 HZ3 TRP 5 28.214 5.632 1.157
40 HH2 TRP 6 HH2 TRP 5 30.387 5.278 2.214
41 H LEU 7 HN LEU 6 24.638 1.813 0.357
42 HA LEU 7 HA LEU 6 25.661 2.193 2.969
43 HB2 LEU 7 HB2 LEU 6 23.050 3.010 1.699
44 HB3 LEU 7 HB1 LEU 6 23.518 3.485 3.321
45 HG LEU 7 HG LEU 6 25.112 4.160 0.851
46 HD11 LEU 7 HD11 LEU 6 22.799 5.491 2.133
47 HD12 LEU 7 HD12 LEU 6 23.313 5.479 0.446
48 HD13 LEU 7 HD13 LEU 6 24.137 6.516 1.612
49 HD21 LEU 7 HD21 LEU 6 25.242 5.181 3.688
50 HD22 LEU 7 HD22 LEU 6 26.202 5.780 2.336
51 HD23 LEU 7 HD23 LEU 6 26.419 4.125 2.906
52 H ALA 8 HN ALA 7 22.934 0.338 1.693
53 HA ALA 8 HA ALA 7 21.742 -0.380 4.130
54 HB1 ALA 8 HB1 ALA 7 20.307 -1.524 2.850
55 HB2 ALA 8 HB2 ALA 7 21.593 -2.428 2.049
56 HB3 ALA 8 HB3 ALA 7 21.174 -0.809 1.491
57 H ASP 9 HN ASP 8 24.461 -1.774 2.368
58 HA ASP 9 HA ASP 8 24.633 -4.148 3.944
59 HB2 ASP 9 HB2 ASP 8 26.880 -2.903 2.351
60 HB3 ASP 9 HB1 ASP 8 26.689 -4.592 2.803
61 H DAL 10 HN DAL 9 25.495 -0.900 4.562
62 HA DAL 10 HA DAL 9 27.345 -1.722 6.702
63 HB1 DAL 10 HB1 DAL 9 25.407 0.532 7.062
64 HB2 DAL 10 HB2 DAL 9 26.271 -0.400 8.284
65 HB3 DAL 10 HB3 DAL 9 24.938 -1.135 7.394
66 H GLY 11 HN GLY 10 27.504 -0.304 3.895
67 HA2 GLY 11 HA2 GLY 10 28.698 1.407 2.936
68 HA3 GLY 11 HA1 GLY 10 28.454 2.322 4.416
69 HA PRO 12 HA PRO 11 32.954 1.855 4.498
70 HB2 PRO 12 HB2 PRO 11 32.663 3.499 6.938
71 HB3 PRO 12 HB1 PRO 11 33.628 3.795 5.489
72 HG2 PRO 12 HG2 PRO 11 31.407 5.203 5.998
73 HG3 PRO 12 HG1 PRO 11 31.861 4.748 4.344
74 HD2 PRO 12 HD2 PRO 11 29.807 3.530 6.150
75 HD3 PRO 12 HD1 PRO 11 29.727 3.853 4.406
76 H ALA 13 HN ALA 12 30.662 1.220 7.084
77 HA ALA 13 HA ALA 12 32.496 0.058 8.914
78 HB1 ALA 13 HB1 ALA 12 30.689 -0.367 10.257
79 HB2 ALA 13 HB2 ALA 12 29.624 -0.738 8.901
80 HB3 ALA 13 HB3 ALA 12 30.050 0.936 9.255
81 H SER 14 HN SER 13 30.524 -1.274 6.292
82 HA SER 14 HA SER 13 30.914 -4.002 6.922
83 HB2 SER 14 HB2 SER 13 30.099 -4.475 4.689
84 HB3 SER 14 HB1 SER 13 29.152 -3.158 5.374
85 HG SER 14 HG SER 13 30.040 -1.773 3.993
86 H DAL 15 HN DAL 14 32.917 -1.665 5.277
87 HA DAL 15 HA DAL 14 35.071 -3.621 5.138
88 HB1 DAL 15 HB1 DAL 14 35.101 -0.650 4.616
89 HB2 DAL 15 HB2 DAL 14 36.515 -1.702 4.687
90 HB3 DAL 15 HB3 DAL 14 35.537 -1.440 6.131
91 H NVA 16 HN NVA 15 33.058 -1.674 3.010
92 HA NVA 16 HA NVA 15 34.364 -2.900 0.673
93 HB2 NVA 16 HB1 NVA 15 31.398 -2.511 1.125
94 HB3 NVA 16 HB2 NVA 15 32.249 -4.047 1.142
95 HG2 NVA 16 HG1 NVA 15 32.809 -3.761 -1.227
96 HG3 NVA 16 HG2 NVA 15 31.928 -2.229 -1.239
97 HD1 NVA 16 HD1 NVA 15 30.783 -4.966 -0.721
98 HD2 NVA 16 HD2 NVA 15 30.528 -3.962 -2.148
99 HD3 NVA 16 HD3 NVA 15 29.882 -3.456 -0.588
100 HA PRO 17 HA PRO 16 34.604 1.317 -0.703
101 HB2 PRO 17 HB2 PRO 16 35.273 0.885 -3.288
102 HB3 PRO 17 HB1 PRO 16 36.408 0.629 -1.958
103 HG2 PRO 17 HG2 PRO 16 34.767 -1.372 -3.460
104 HG3 PRO 17 HG1 PRO 16 36.459 -1.477 -2.942
105 HD2 PRO 17 HD2 PRO 16 34.417 -2.676 -1.602
106 HD3 PRO 17 HD1 PRO 16 35.895 -2.102 -0.804
107 HA PRO 18 HA PRO 17 30.406 2.001 -2.135
108 HB2 PRO 18 HB2 PRO 17 30.867 4.654 -2.838
109 HB3 PRO 18 HB1 PRO 17 30.373 4.092 -1.239
110 HG2 PRO 18 HG2 PRO 17 33.096 4.781 -2.249
111 HG3 PRO 18 HG1 PRO 17 32.371 5.100 -0.662
112 HD2 PRO 18 HD2 PRO 17 34.138 3.126 -0.997
113 HD3 PRO 18 HD1 PRO 17 32.736 2.923 0.076
114 HA PRO 19 HA PRO 18 31.059 1.449 -6.515
115 HB2 PRO 19 HB2 PRO 18 28.473 1.363 -7.290
116 HB3 PRO 19 HB1 PRO 18 29.248 0.033 -6.422
117 HG2 PRO 19 HG2 PRO 18 27.440 2.175 -5.383
118 HG3 PRO 19 HG1 PRO 18 27.467 0.447 -4.994
119 HD2 PRO 19 HD2 PRO 18 28.568 2.370 -3.402
120 HD3 PRO 19 HD1 PRO 18 29.146 0.695 -3.455
121 H SER 20 HN SER 19 31.513 2.871 -8.072
122 HA SER 20 HA SER 19 30.089 5.453 -8.081
123 HB2 SER 20 HB2 SER 19 32.917 4.864 -8.992
124 HB3 SER 20 HB1 SER 19 32.130 6.441 -9.038
125 HG SER 20 HG SER 19 32.158 6.528 -6.847
126 HN1 NH2 21 H2 SER 19 31.886 3.292 -10.281
127 HN2 NH2 21 H1 SER 19 30.867 3.564 -11.650
Start of MODEL 2
1 H1 ACE 1 HA2 ALA 1 20.191 1.883 -6.886
2 H2 ACE 1 HA3 ALA 1 19.693 0.338 -7.570
3 H3 ACE 1 HA1 ALA 1 20.208 1.672 -8.635
4 H ALA 2 HN ALA 1 22.214 2.114 -6.238
5 HA ALA 2 HA ALA 1 24.058 -0.074 -6.546
6 HB1 ALA 2 HB2 ALA 1 24.543 2.529 -7.962
7 HB2 ALA 2 HB3 ALA 1 24.659 0.886 -8.593
8 HB3 ALA 2 HB1 ALA 1 25.874 1.485 -7.462
9 H TYR 3 HN TYR 2 24.296 3.438 -5.882
10 HA TYR 3 HA TYR 2 26.061 3.133 -3.702
11 HB2 TYR 3 HB2 TYR 2 25.733 5.230 -5.047
12 HB3 TYR 3 HB1 TYR 2 24.207 5.469 -4.202
13 HD1 TYR 3 HD1 TYR 2 27.844 5.622 -3.948
14 HD2 TYR 3 HD2 TYR 2 24.182 6.056 -1.822
15 HE1 TYR 3 HE1 TYR 2 29.040 6.779 -2.137
16 HE2 TYR 3 HE2 TYR 2 25.372 7.217 -0.007
17 HH TYR 3 HH TYR 2 27.910 8.662 -0.094
18 H ALA 4 HN ALA 3 22.535 3.418 -3.877
19 HA ALA 4 HA ALA 3 22.017 3.704 -1.135
20 HB1 ALA 4 HB1 ALA 3 20.294 4.136 -2.747
21 HB2 ALA 4 HB2 ALA 3 19.755 2.837 -1.683
22 HB3 ALA 4 HB3 ALA 3 20.334 2.464 -3.306
23 H GLN 5 HN GLN 4 22.399 0.799 -3.140
24 HA GLN 5 HA GLN 4 21.754 -1.080 -1.126
25 HB2 GLN 5 HB2 GLN 4 22.625 -1.142 -3.849
26 HB3 GLN 5 HB1 GLN 4 23.656 -2.218 -2.916
27 HG2 GLN 5 HG2 GLN 4 20.694 -2.364 -2.598
28 HG3 GLN 5 HG1 GLN 4 21.467 -3.107 -3.997
29 HE21 GLN 5 HE21 GLN 4 21.217 -5.220 -3.530
30 HE22 GLN 5 HE22 GLN 4 21.860 -5.995 -2.126
31 H TRP 6 HN TRP 5 24.759 0.497 -2.076
32 HA TRP 6 HA TRP 5 26.602 -1.015 -0.638
33 HB2 TRP 6 HB2 TRP 5 27.382 0.620 -2.206
34 HB3 TRP 6 HB1 TRP 5 26.567 1.921 -1.349
35 HD1 TRP 6 HD1 TRP 5 29.455 -0.591 -0.689
36 HE1 TRP 6 HE1 TRP 5 31.211 0.596 0.766
37 HE3 TRP 6 HE3 TRP 5 27.050 3.865 0.022
38 HZ2 TRP 6 HZ2 TRP 5 31.540 3.084 2.045
39 HZ3 TRP 6 HZ3 TRP 5 28.158 5.597 1.377
40 HH2 TRP 6 HH2 TRP 5 30.358 5.210 2.366
41 H LEU 7 HN LEU 6 24.628 1.749 0.399
42 HA LEU 7 HA LEU 6 25.688 1.955 3.012
43 HB2 LEU 7 HB2 LEU 6 23.066 2.819 1.810
44 HB3 LEU 7 HB1 LEU 6 23.476 3.128 3.486
45 HG LEU 7 HG LEU 6 25.031 4.141 1.104
46 HD11 LEU 7 HD11 LEU 6 24.128 6.357 2.211
47 HD12 LEU 7 HD12 LEU 6 22.833 5.285 2.746
48 HD13 LEU 7 HD13 LEU 6 23.174 5.465 1.024
49 HD21 LEU 7 HD21 LEU 6 25.328 4.662 4.061
50 HD22 LEU 7 HD22 LEU 6 26.176 5.541 2.789
51 HD23 LEU 7 HD23 LEU 6 26.472 3.817 3.017
52 H ALA 8 HN ALA 7 23.057 0.056 1.630
53 HA ALA 8 HA ALA 7 21.844 -0.823 3.997
54 HB1 ALA 8 HB1 ALA 7 20.727 -2.419 2.693
55 HB2 ALA 8 HB2 ALA 7 22.040 -2.508 1.519
56 HB3 ALA 8 HB3 ALA 7 21.021 -1.070 1.595
57 H ASP 9 HN ASP 8 24.685 -2.023 2.276
58 HA ASP 9 HA ASP 8 24.928 -4.422 3.810
59 HB2 ASP 9 HB2 ASP 8 27.200 -3.101 2.334
60 HB3 ASP 9 HB1 ASP 8 26.953 -4.812 2.653
61 H DAL 10 HN DAL 9 25.638 -1.157 4.496
62 HA DAL 10 HA DAL 9 27.470 -1.937 6.664
63 HB1 DAL 10 HB1 DAL 9 24.889 -1.167 7.052
64 HB2 DAL 10 HB2 DAL 9 25.750 0.363 7.229
65 HB3 DAL 10 HB3 DAL 9 26.180 -1.014 8.244
66 H GLY 11 HN GLY 10 27.640 -0.478 3.870
67 HA2 GLY 11 HA2 GLY 10 28.798 1.282 2.958
68 HA3 GLY 11 HA1 GLY 10 28.525 2.159 4.453
69 HA PRO 12 HA PRO 11 33.036 1.778 4.527
70 HB2 PRO 12 HB2 PRO 11 32.724 3.440 6.949
71 HB3 PRO 12 HB1 PRO 11 33.672 3.742 5.490
72 HG2 PRO 12 HG2 PRO 11 31.425 5.107 6.007
73 HG3 PRO 12 HG1 PRO 11 31.882 4.658 4.354
74 HD2 PRO 12 HD2 PRO 11 29.860 3.404 6.171
75 HD3 PRO 12 HD1 PRO 11 29.767 3.717 4.425
76 H ALA 13 HN ALA 12 30.765 1.125 7.130
77 HA ALA 13 HA ALA 12 32.619 0.045 8.979
78 HB1 ALA 13 HB1 ALA 12 30.437 -1.103 9.851
79 HB2 ALA 13 HB2 ALA 12 29.653 -0.015 8.704
80 HB3 ALA 13 HB3 ALA 12 30.654 0.641 9.999
81 H SER 14 HN SER 13 30.640 -1.446 6.434
82 HA SER 14 HA SER 13 31.263 -4.125 7.118
83 HB2 SER 14 HB2 SER 13 30.408 -4.680 4.858
84 HB3 SER 14 HB1 SER 13 29.323 -3.613 5.745
85 HG SER 14 HG SER 13 29.693 -2.058 4.353
86 H DAL 15 HN DAL 14 33.001 -1.697 5.336
87 HA DAL 15 HA DAL 14 35.243 -3.528 5.036
88 HB1 DAL 15 HB1 DAL 14 36.528 -1.527 4.447
89 HB2 DAL 15 HB2 DAL 14 35.667 -1.320 5.972
90 HB3 DAL 15 HB3 DAL 14 35.051 -0.565 4.502
91 H NVA 16 HN NVA 15 33.029 -1.648 3.037
92 HA NVA 16 HA NVA 15 34.149 -2.942 0.638
93 HB2 NVA 16 HB1 NVA 15 31.248 -2.423 1.327
94 HB3 NVA 16 HB2 NVA 15 32.034 -3.990 1.210
95 HG2 NVA 16 HG1 NVA 15 32.521 -3.021 -1.263
96 HG3 NVA 16 HG2 NVA 15 30.975 -2.246 -0.904
97 HD1 NVA 16 HD1 NVA 15 30.280 -4.642 -0.145
98 HD2 NVA 16 HD2 NVA 15 31.630 -5.144 -1.163
99 HD3 NVA 16 HD3 NVA 15 30.294 -4.226 -1.858
100 HA PRO 17 HA PRO 16 34.576 1.254 -0.779
101 HB2 PRO 17 HB2 PRO 16 35.104 0.744 -3.391
102 HB3 PRO 17 HB1 PRO 16 36.289 0.492 -2.104
103 HG2 PRO 17 HG2 PRO 16 34.529 -1.501 -3.478
104 HG3 PRO 17 HG1 PRO 16 36.237 -1.640 -3.024
105 HD2 PRO 17 HD2 PRO 16 34.234 -2.751 -1.572
106 HD3 PRO 17 HD1 PRO 16 35.743 -2.172 -0.841
107 HA PRO 18 HA PRO 17 30.363 2.094 -2.100
108 HB2 PRO 18 HB2 PRO 17 30.842 4.758 -2.685
109 HB3 PRO 18 HB1 PRO 17 30.430 4.135 -1.085
110 HG2 PRO 18 HG2 PRO 17 33.110 4.810 -2.225
111 HG3 PRO 18 HG1 PRO 17 32.476 5.108 -0.596
112 HD2 PRO 18 HD2 PRO 17 34.175 3.100 -1.072
113 HD3 PRO 18 HD1 PRO 17 32.833 2.911 0.078
114 HA PRO 19 HA PRO 18 30.915 1.710 -6.511
115 HB2 PRO 19 HB2 PRO 18 28.317 1.772 -7.240
116 HB3 PRO 19 HB1 PRO 18 29.043 0.373 -6.442
117 HG2 PRO 19 HG2 PRO 18 27.365 2.558 -5.275
118 HG3 PRO 19 HG1 PRO 18 27.299 0.813 -4.972
119 HD2 PRO 19 HD2 PRO 18 28.528 2.577 -3.299
120 HD3 PRO 19 HD1 PRO 18 29.034 0.885 -3.469
121 H SER 20 HN SER 19 30.911 2.989 -8.347
122 HA SER 20 HA SER 19 29.942 5.753 -8.001
123 HB2 SER 20 HB2 SER 19 32.427 4.772 -9.425
124 HB3 SER 20 HB1 SER 19 31.833 6.432 -9.498
125 HG SER 20 HG SER 19 33.016 5.047 -7.379
126 HN1 NH2 21 H2 SER 19 28.539 6.465 -9.471
127 HN2 NH2 21 H1 SER 19 28.207 5.725 -10.996
Start of MODEL 3
1 H1 ACE 1 HA2 ALA 1 20.503 3.273 -7.907
2 H2 ACE 1 HA3 ALA 1 20.273 2.721 -6.242
3 H3 ACE 1 HA1 ALA 1 20.321 1.547 -7.566
4 H ALA 2 HN ALA 1 22.025 0.407 -6.619
5 HA ALA 2 HA ALA 1 24.202 -0.217 -6.477
6 HB1 ALA 2 HB2 ALA 1 25.580 2.141 -7.388
7 HB2 ALA 2 HB3 ALA 1 24.254 1.736 -8.476
8 HB3 ALA 2 HB1 ALA 1 25.495 0.537 -8.114
9 H TYR 3 HN TYR 2 24.387 3.321 -5.916
10 HA TYR 3 HA TYR 2 26.122 3.078 -3.705
11 HB2 TYR 3 HB2 TYR 2 25.804 5.134 -5.126
12 HB3 TYR 3 HB1 TYR 2 24.281 5.404 -4.284
13 HD1 TYR 3 HD1 TYR 2 27.914 5.587 -4.060
14 HD2 TYR 3 HD2 TYR 2 24.272 6.028 -1.903
15 HE1 TYR 3 HE1 TYR 2 29.118 6.799 -2.292
16 HE2 TYR 3 HE2 TYR 2 25.469 7.245 -0.130
17 HH TYR 3 HH TYR 2 28.039 8.713 -0.310
18 H ALA 4 HN ALA 3 22.601 3.389 -3.934
19 HA ALA 4 HA ALA 3 22.056 3.729 -1.201
20 HB1 ALA 4 HB1 ALA 3 20.384 2.499 -3.387
21 HB2 ALA 4 HB2 ALA 3 20.358 4.172 -2.830
22 HB3 ALA 4 HB3 ALA 3 19.785 2.883 -1.773
23 H GLN 5 HN GLN 4 22.409 0.794 -3.166
24 HA GLN 5 HA GLN 4 21.713 -1.059 -1.146
25 HB2 GLN 5 HB2 GLN 4 22.443 -1.181 -3.848
26 HB3 GLN 5 HB1 GLN 4 23.688 -2.094 -3.005
27 HG2 GLN 5 HG2 GLN 4 22.077 -3.678 -3.558
28 HG3 GLN 5 HG1 GLN 4 21.775 -3.325 -1.858
29 HE21 GLN 5 HE21 GLN 4 19.660 -3.512 -1.558
30 HE22 GLN 5 HE22 GLN 4 18.436 -2.781 -2.532
31 H TRP 6 HN TRP 5 24.738 0.485 -2.064
32 HA TRP 6 HA TRP 5 26.547 -1.043 -0.585
33 HB2 TRP 6 HB2 TRP 5 27.368 0.535 -2.189
34 HB3 TRP 6 HB1 TRP 5 26.573 1.874 -1.374
35 HD1 TRP 6 HD1 TRP 5 29.434 -0.651 -0.672
36 HE1 TRP 6 HE1 TRP 5 31.197 0.542 0.772
37 HE3 TRP 6 HE3 TRP 5 27.049 3.823 0.006
38 HZ2 TRP 6 HZ2 TRP 5 31.539 3.039 2.031
39 HZ3 TRP 6 HZ3 TRP 5 28.165 5.561 1.344
40 HH2 TRP 6 HH2 TRP 5 30.366 5.173 2.334
41 H LEU 7 HN LEU 6 24.573 1.743 0.371
42 HA LEU 7 HA LEU 6 25.634 2.020 2.982
43 HB2 LEU 7 HB2 LEU 6 23.023 2.874 1.746
44 HB3 LEU 7 HB1 LEU 6 23.435 3.231 3.412
45 HG LEU 7 HG LEU 6 25.036 4.138 1.017
46 HD11 LEU 7 HD11 LEU 6 22.769 5.344 2.500
47 HD12 LEU 7 HD12 LEU 6 23.215 5.480 0.798
48 HD13 LEU 7 HD13 LEU 6 24.093 6.404 2.018
49 HD21 LEU 7 HD21 LEU 6 26.160 5.595 2.638
50 HD22 LEU 7 HD22 LEU 6 26.387 3.891 3.028
51 HD23 LEU 7 HD23 LEU 6 25.230 4.857 3.942
52 H ALA 8 HN ALA 7 23.013 0.086 1.637
53 HA ALA 8 HA ALA 7 21.760 -0.708 4.011
54 HB1 ALA 8 HB1 ALA 7 20.692 -2.384 2.744
55 HB2 ALA 8 HB2 ALA 7 22.014 -2.457 1.578
56 HB3 ALA 8 HB3 ALA 7 20.959 -1.044 1.628
57 H ASP 9 HN ASP 8 24.626 -1.988 2.383
58 HA ASP 9 HA ASP 8 24.840 -4.314 4.036
59 HB2 ASP 9 HB2 ASP 8 27.127 -3.073 2.514
60 HB3 ASP 9 HB1 ASP 8 26.883 -4.764 2.930
61 H DAL 10 HN DAL 9 25.548 -1.025 4.575
62 HA DAL 10 HA DAL 9 27.355 -1.722 6.795
63 HB1 DAL 10 HB1 DAL 9 26.265 0.220 8.010
64 HB2 DAL 10 HB2 DAL 9 25.292 -1.238 7.814
65 HB3 DAL 10 HB3 DAL 9 25.010 0.156 6.772
66 H GLY 11 HN GLY 10 27.488 -0.349 3.904
67 HA2 GLY 11 HA2 GLY 10 28.743 1.285 2.906
68 HA3 GLY 11 HA1 GLY 10 28.506 2.250 4.355
69 HA PRO 12 HA PRO 11 32.991 1.709 4.511
70 HB2 PRO 12 HB2 PRO 11 32.707 3.353 6.950
71 HB3 PRO 12 HB1 PRO 11 33.689 3.635 5.508
72 HG2 PRO 12 HG2 PRO 11 31.489 5.079 5.999
73 HG3 PRO 12 HG1 PRO 11 31.950 4.619 4.350
74 HD2 PRO 12 HD2 PRO 11 29.859 3.434 6.136
75 HD3 PRO 12 HD1 PRO 11 29.799 3.761 4.391
76 H ALA 13 HN ALA 12 30.672 1.117 7.088
77 HA ALA 13 HA ALA 12 32.451 -0.053 8.948
78 HB1 ALA 13 HB1 ALA 12 29.472 -0.338 8.601
79 HB2 ALA 13 HB2 ALA 12 30.331 0.729 9.712
80 HB3 ALA 13 HB3 ALA 12 30.377 -1.017 9.954
81 H SER 14 HN SER 13 30.582 -1.419 6.264
82 HA SER 14 HA SER 13 31.083 -4.137 6.932
83 HB2 SER 14 HB2 SER 13 30.254 -4.648 4.683
84 HB3 SER 14 HB1 SER 13 29.212 -3.471 5.481
85 HG SER 14 HG SER 13 29.680 -2.077 3.983
86 H DAL 15 HN DAL 14 32.943 -1.714 5.275
87 HA DAL 15 HA DAL 14 35.164 -3.574 5.042
88 HB1 DAL 15 HB1 DAL 14 35.602 -1.388 6.001
89 HB2 DAL 15 HB2 DAL 14 35.019 -0.603 4.532
90 HB3 DAL 15 HB3 DAL 14 36.490 -1.577 4.489
91 H NVA 16 HN NVA 15 33.032 -1.693 2.962
92 HA NVA 16 HA NVA 15 34.274 -2.942 0.601
93 HB2 NVA 16 HB1 NVA 15 31.324 -2.498 1.118
94 HB3 NVA 16 HB2 NVA 15 32.152 -4.047 1.139
95 HG2 NVA 16 HG1 NVA 15 32.316 -2.420 -1.342
96 HG3 NVA 16 HG2 NVA 15 30.792 -3.230 -0.965
97 HD1 NVA 16 HD1 NVA 15 33.492 -4.542 -1.215
98 HD2 NVA 16 HD2 NVA 15 32.171 -4.635 -2.379
99 HD3 NVA 16 HD3 NVA 15 31.993 -5.364 -0.783
100 HA PRO 17 HA PRO 16 34.618 1.258 -0.806
101 HB2 PRO 17 HB2 PRO 16 35.180 0.776 -3.416
102 HB3 PRO 17 HB1 PRO 16 36.355 0.530 -2.119
103 HG2 PRO 17 HG2 PRO 16 34.631 -1.477 -3.519
104 HG3 PRO 17 HG1 PRO 16 36.340 -1.595 -3.063
105 HD2 PRO 17 HD2 PRO 16 34.358 -2.749 -1.620
106 HD3 PRO 17 HD1 PRO 16 35.851 -2.139 -0.880
107 HA PRO 18 HA PRO 17 30.388 2.036 -2.114
108 HB2 PRO 18 HB2 PRO 17 30.864 4.704 -2.736
109 HB3 PRO 18 HB1 PRO 17 30.409 4.092 -1.144
110 HG2 PRO 18 HG2 PRO 17 33.115 4.774 -2.211
111 HG3 PRO 18 HG1 PRO 17 32.439 5.066 -0.597
112 HD2 PRO 18 HD2 PRO 17 34.162 3.071 -1.021
113 HD3 PRO 18 HD1 PRO 17 32.781 2.863 0.077
114 HA PRO 19 HA PRO 18 30.951 1.664 -6.527
115 HB2 PRO 19 HB2 PRO 18 28.360 1.469 -7.228
116 HB3 PRO 19 HB1 PRO 18 29.204 0.162 -6.390
117 HG2 PRO 19 HG2 PRO 18 27.331 2.216 -5.293
118 HG3 PRO 19 HG1 PRO 18 27.443 0.488 -4.918
119 HD2 PRO 19 HD2 PRO 18 28.511 2.475 -3.352
120 HD3 PRO 19 HD1 PRO 18 29.113 0.808 -3.389
121 H SER 20 HN SER 19 31.358 3.214 -7.970
122 HA SER 20 HA SER 19 29.487 5.419 -8.339
123 HB2 SER 20 HB2 SER 19 32.378 5.793 -7.536
124 HB3 SER 20 HB1 SER 19 31.421 7.066 -8.295
125 HG SER 20 HG SER 19 30.109 7.138 -6.538
126 HN1 NH2 21 H2 SER 19 29.186 5.737 -10.440
127 HN2 NH2 21 H1 SER 19 30.292 5.329 -11.702
Start of MODEL 4
1 H1 ACE 1 HA2 ALA 1 19.802 1.074 -7.132
2 H2 ACE 1 HA3 ALA 1 20.710 2.575 -7.370
3 H3 ACE 1 HA1 ALA 1 19.908 2.261 -5.824
4 H ALA 2 HN ALA 1 22.751 1.890 -7.663
5 HA ALA 2 HA ALA 1 23.905 -0.319 -6.296
6 HB1 ALA 2 HB2 ALA 1 24.747 0.317 -8.458
7 HB2 ALA 2 HB3 ALA 1 26.040 0.487 -7.271
8 HB3 ALA 2 HB1 ALA 1 25.190 1.915 -7.861
9 H TYR 3 HN TYR 2 24.303 3.207 -5.922
10 HA TYR 3 HA TYR 2 26.095 3.048 -3.737
11 HB2 TYR 3 HB2 TYR 2 25.728 5.057 -5.229
12 HB3 TYR 3 HB1 TYR 2 24.232 5.347 -4.346
13 HD1 TYR 3 HD1 TYR 2 27.859 5.581 -4.268
14 HD2 TYR 3 HD2 TYR 2 24.304 5.992 -1.964
15 HE1 TYR 3 HE1 TYR 2 29.112 6.841 -2.569
16 HE2 TYR 3 HE2 TYR 2 25.552 7.252 -0.258
17 HH TYR 3 HH TYR 2 28.709 7.235 0.101
18 H ALA 4 HN ALA 3 22.568 3.361 -3.937
19 HA ALA 4 HA ALA 3 22.060 3.759 -1.203
20 HB1 ALA 4 HB1 ALA 3 19.776 2.990 -1.710
21 HB2 ALA 4 HB2 ALA 3 20.325 2.456 -3.299
22 HB3 ALA 4 HB3 ALA 3 20.363 4.170 -2.881
23 H GLN 5 HN GLN 4 22.392 0.800 -3.125
24 HA GLN 5 HA GLN 4 21.698 -1.020 -1.072
25 HB2 GLN 5 HB2 GLN 4 21.833 -1.498 -3.563
26 HB3 GLN 5 HB1 GLN 4 23.579 -1.573 -3.371
27 HG2 GLN 5 HG2 GLN 4 22.357 -3.240 -1.406
28 HG3 GLN 5 HG1 GLN 4 21.686 -3.622 -2.991
29 HE21 GLN 5 HE21 GLN 4 22.748 -5.119 -4.073
30 HE22 GLN 5 HE22 GLN 4 24.429 -5.485 -3.924
31 H TRP 6 HN TRP 5 24.741 0.471 -2.056
32 HA TRP 6 HA TRP 5 26.546 -1.042 -0.571
33 HB2 TRP 6 HB2 TRP 5 27.373 0.528 -2.179
34 HB3 TRP 6 HB1 TRP 5 26.582 1.873 -1.368
35 HD1 TRP 6 HD1 TRP 5 29.425 -0.669 -0.635
36 HE1 TRP 6 HE1 TRP 5 31.191 0.519 0.804
37 HE3 TRP 6 HE3 TRP 5 27.083 3.835 -0.020
38 HZ2 TRP 6 HZ2 TRP 5 31.551 3.027 2.037
39 HZ3 TRP 6 HZ3 TRP 5 28.212 5.576 1.305
40 HH2 TRP 6 HH2 TRP 5 30.399 5.176 2.312
41 H LEU 7 HN LEU 6 24.627 1.789 0.386
42 HA LEU 7 HA LEU 6 25.692 2.047 2.994
43 HB2 LEU 7 HB2 LEU 6 23.067 2.918 1.793
44 HB3 LEU 7 HB1 LEU 6 23.534 3.300 3.440
45 HG LEU 7 HG LEU 6 25.096 4.136 0.997
46 HD11 LEU 7 HD11 LEU 6 22.867 5.424 2.486
47 HD12 LEU 7 HD12 LEU 6 23.234 5.441 0.761
48 HD13 LEU 7 HD13 LEU 6 24.173 6.437 1.873
49 HD21 LEU 7 HD21 LEU 6 26.465 3.955 2.995
50 HD22 LEU 7 HD22 LEU 6 25.307 4.929 3.900
51 HD23 LEU 7 HD23 LEU 6 26.220 5.650 2.576
52 H ALA 8 HN ALA 7 23.022 0.167 1.664
53 HA ALA 8 HA ALA 7 21.795 -0.621 4.056
54 HB1 ALA 8 HB1 ALA 7 20.576 -2.131 2.792
55 HB2 ALA 8 HB2 ALA 7 21.912 -2.440 1.684
56 HB3 ALA 8 HB3 ALA 7 21.030 -0.915 1.599
57 H ASP 9 HN ASP 8 24.606 -1.928 2.365
58 HA ASP 9 HA ASP 8 24.780 -4.300 3.955
59 HB2 ASP 9 HB2 ASP 8 27.135 -3.122 2.502
60 HB3 ASP 9 HB1 ASP 8 26.740 -4.813 2.777
61 H DAL 10 HN DAL 9 25.599 -1.037 4.544
62 HA DAL 10 HA DAL 9 27.418 -1.813 6.725
63 HB1 DAL 10 HB1 DAL 9 26.357 -0.082 8.127
64 HB2 DAL 10 HB2 DAL 9 25.247 -1.376 7.677
65 HB3 DAL 10 HB3 DAL 9 25.163 0.183 6.856
66 H GLY 11 HN GLY 10 27.586 -0.416 3.896
67 HA2 GLY 11 HA2 GLY 10 28.774 1.296 2.933
68 HA3 GLY 11 HA1 GLY 10 28.540 2.212 4.412
69 HA PRO 12 HA PRO 11 33.038 1.727 4.475
70 HB2 PRO 12 HB2 PRO 11 32.768 3.372 6.918
71 HB3 PRO 12 HB1 PRO 11 33.725 3.664 5.463
72 HG2 PRO 12 HG2 PRO 11 31.514 5.081 5.985
73 HG3 PRO 12 HG1 PRO 11 31.958 4.627 4.329
74 HD2 PRO 12 HD2 PRO 11 29.908 3.415 6.143
75 HD3 PRO 12 HD1 PRO 11 29.820 3.739 4.399
76 H ALA 13 HN ALA 12 30.764 1.108 7.086
77 HA ALA 13 HA ALA 12 32.603 -0.062 8.901
78 HB1 ALA 13 HB1 ALA 12 30.581 0.703 9.821
79 HB2 ALA 13 HB2 ALA 12 30.497 -1.056 9.917
80 HB3 ALA 13 HB3 ALA 12 29.611 -0.198 8.655
81 H SER 14 HN SER 13 30.603 -1.402 6.301
82 HA SER 14 HA SER 13 31.039 -4.128 6.924
83 HB2 SER 14 HB2 SER 13 30.161 -4.607 4.715
84 HB3 SER 14 HB1 SER 13 29.216 -3.309 5.438
85 HG SER 14 HG SER 13 30.031 -1.906 4.032
86 H DAL 15 HN DAL 14 32.966 -1.763 5.239
87 HA DAL 15 HA DAL 14 35.131 -3.697 5.012
88 HB1 DAL 15 HB1 DAL 14 36.541 -1.762 4.527
89 HB2 DAL 15 HB2 DAL 14 35.606 -1.514 6.002
90 HB3 DAL 15 HB3 DAL 14 35.117 -0.723 4.503
91 H NVA 16 HN NVA 15 33.032 -1.757 2.962
92 HA NVA 16 HA NVA 15 34.259 -2.981 0.580
93 HB2 NVA 16 HB1 NVA 15 31.312 -2.530 1.111
94 HB3 NVA 16 HB2 NVA 15 32.131 -4.084 1.115
95 HG2 NVA 16 HG1 NVA 15 32.287 -2.424 -1.348
96 HG3 NVA 16 HG2 NVA 15 30.772 -3.254 -0.977
97 HD1 NVA 16 HD1 NVA 15 33.485 -4.525 -1.279
98 HD2 NVA 16 HD2 NVA 15 32.135 -4.640 -2.407
99 HD3 NVA 16 HD3 NVA 15 32.015 -5.377 -0.809
100 HA PRO 17 HA PRO 16 34.589 1.241 -0.761
101 HB2 PRO 17 HB2 PRO 16 35.177 0.803 -3.370
102 HB3 PRO 17 HB1 PRO 16 36.341 0.534 -2.068
103 HG2 PRO 17 HG2 PRO 16 34.633 -1.447 -3.523
104 HG3 PRO 17 HG1 PRO 16 36.337 -1.574 -3.048
105 HD2 PRO 17 HD2 PRO 16 34.326 -2.749 -1.653
106 HD3 PRO 17 HD1 PRO 16 35.820 -2.173 -0.888
107 HA PRO 18 HA PRO 17 30.379 2.012 -2.121
108 HB2 PRO 18 HB2 PRO 17 30.817 4.691 -2.676
109 HB3 PRO 18 HB1 PRO 17 30.381 4.044 -1.092
110 HG2 PRO 18 HG2 PRO 17 33.068 4.793 -2.163
111 HG3 PRO 18 HG1 PRO 17 32.394 5.040 -0.540
112 HD2 PRO 18 HD2 PRO 17 34.151 3.084 -1.030
113 HD3 PRO 18 HD1 PRO 17 32.800 2.844 0.098
114 HA PRO 19 HA PRO 18 30.995 1.715 -6.530
115 HB2 PRO 19 HB2 PRO 18 28.409 1.661 -7.289
116 HB3 PRO 19 HB1 PRO 18 29.183 0.292 -6.483
117 HG2 PRO 19 HG2 PRO 18 27.388 2.395 -5.343
118 HG3 PRO 19 HG1 PRO 18 27.403 0.649 -5.036
119 HD2 PRO 19 HD2 PRO 18 28.525 2.493 -3.359
120 HD3 PRO 19 HD1 PRO 18 29.086 0.815 -3.488
121 H SER 20 HN SER 19 31.338 3.180 -8.094
122 HA SER 20 HA SER 19 30.150 5.847 -7.774
123 HB2 SER 20 HB2 SER 19 32.708 4.859 -8.993
124 HB3 SER 20 HB1 SER 19 32.037 6.410 -9.498
125 HG SER 20 HG SER 19 33.576 6.234 -7.575
126 HN1 NH2 21 H2 SER 19 28.524 6.353 -9.068
127 HN2 NH2 21 H1 SER 19 28.254 5.743 -10.661
Start of MODEL 5
1 H1 ACE 1 HA2 ALA 1 19.730 1.021 -7.291
2 H2 ACE 1 HA3 ALA 1 20.629 2.543 -7.367
3 H3 ACE 1 HA1 ALA 1 19.749 2.107 -5.894
4 H ALA 2 HN ALA 1 22.671 1.813 -7.662
5 HA ALA 2 HA ALA 1 23.752 -0.429 -6.257
6 HB1 ALA 2 HB2 ALA 1 25.954 0.818 -7.182
7 HB2 ALA 2 HB3 ALA 1 24.731 1.525 -8.237
8 HB3 ALA 2 HB1 ALA 1 24.931 -0.226 -8.171
9 H TYR 3 HN TYR 2 24.245 3.099 -5.992
10 HA TYR 3 HA TYR 2 26.051 2.983 -3.828
11 HB2 TYR 3 HB2 TYR 2 25.640 4.971 -5.334
12 HB3 TYR 3 HB1 TYR 2 24.158 5.261 -4.429
13 HD1 TYR 3 HD1 TYR 2 27.777 5.554 -4.433
14 HD2 TYR 3 HD2 TYR 2 24.275 5.911 -2.041
15 HE1 TYR 3 HE1 TYR 2 29.050 6.844 -2.773
16 HE2 TYR 3 HE2 TYR 2 25.543 7.203 -0.373
17 HH TYR 3 HH TYR 2 28.657 7.233 -0.046
18 H ALA 4 HN ALA 3 22.519 3.277 -3.959
19 HA ALA 4 HA ALA 3 22.064 3.693 -1.218
20 HB1 ALA 4 HB1 ALA 3 19.786 3.102 -1.645
21 HB2 ALA 4 HB2 ALA 3 20.230 2.244 -3.120
22 HB3 ALA 4 HB3 ALA 3 20.386 3.998 -3.040
23 H GLN 5 HN GLN 4 22.414 0.727 -3.122
24 HA GLN 5 HA GLN 4 21.753 -1.101 -1.072
25 HB2 GLN 5 HB2 GLN 4 22.419 -1.279 -3.757
26 HB3 GLN 5 HB1 GLN 4 23.768 -2.070 -2.954
27 HG2 GLN 5 HG2 GLN 4 22.504 -3.800 -2.219
28 HG3 GLN 5 HG1 GLN 4 21.043 -2.823 -2.081
29 HE21 GLN 5 HE21 GLN 4 19.850 -2.354 -3.997
30 HE22 GLN 5 HE22 GLN 4 19.959 -3.393 -5.374
31 H TRP 6 HN TRP 5 24.783 0.416 -2.059
32 HA TRP 6 HA TRP 5 26.600 -1.025 -0.526
33 HB2 TRP 6 HB2 TRP 5 27.392 0.540 -2.166
34 HB3 TRP 6 HB1 TRP 5 26.590 1.881 -1.359
35 HD1 TRP 6 HD1 TRP 5 29.470 -0.621 -0.635
36 HE1 TRP 6 HE1 TRP 5 31.229 0.596 0.790
37 HE3 TRP 6 HE3 TRP 5 27.071 3.853 -0.020
38 HZ2 TRP 6 HZ2 TRP 5 31.563 3.110 2.013
39 HZ3 TRP 6 HZ3 TRP 5 28.185 5.613 1.294
40 HH2 TRP 6 HH2 TRP 5 30.386 5.244 2.288
41 H LEU 7 HN LEU 6 24.623 1.789 0.372
42 HA LEU 7 HA LEU 6 25.668 2.097 2.984
43 HB2 LEU 7 HB2 LEU 6 23.048 2.923 1.744
44 HB3 LEU 7 HB1 LEU 6 23.477 3.315 3.397
45 HG LEU 7 HG LEU 6 25.063 4.173 0.977
46 HD11 LEU 7 HD11 LEU 6 23.071 5.369 0.803
47 HD12 LEU 7 HD12 LEU 6 24.138 6.453 1.695
48 HD13 LEU 7 HD13 LEU 6 22.905 5.529 2.551
49 HD21 LEU 7 HD21 LEU 6 26.135 5.709 2.592
50 HD22 LEU 7 HD22 LEU 6 26.438 4.011 2.956
51 HD23 LEU 7 HD23 LEU 6 25.251 4.915 3.895
52 H ALA 8 HN ALA 7 22.977 0.214 1.673
53 HA ALA 8 HA ALA 7 21.814 -0.592 4.098
54 HB1 ALA 8 HB1 ALA 7 20.530 -0.937 2.170
55 HB2 ALA 8 HB2 ALA 7 20.981 -2.559 2.697
56 HB3 ALA 8 HB3 ALA 7 21.830 -1.801 1.351
57 H ASP 9 HN ASP 8 24.556 -1.877 2.287
58 HA ASP 9 HA ASP 8 24.792 -4.282 3.811
59 HB2 ASP 9 HB2 ASP 8 27.001 -2.961 2.228
60 HB3 ASP 9 HB1 ASP 8 26.840 -4.662 2.642
61 H DAL 10 HN DAL 9 25.589 -1.029 4.486
62 HA DAL 10 HA DAL 9 27.457 -1.857 6.606
63 HB1 DAL 10 HB1 DAL 9 25.074 -1.321 7.340
64 HB2 DAL 10 HB2 DAL 9 25.467 0.357 6.968
65 HB3 DAL 10 HB3 DAL 9 26.389 -0.514 8.193
66 H GLY 11 HN GLY 10 27.592 -0.391 3.814
67 HA2 GLY 11 HA2 GLY 10 28.817 1.304 2.876
68 HA3 GLY 11 HA1 GLY 10 28.507 2.232 4.333
69 HA PRO 12 HA PRO 11 33.009 1.845 4.568
70 HB2 PRO 12 HB2 PRO 11 32.630 3.542 6.956
71 HB3 PRO 12 HB1 PRO 11 33.618 3.825 5.519
72 HG2 PRO 12 HG2 PRO 11 31.358 5.197 5.955
73 HG3 PRO 12 HG1 PRO 11 31.859 4.722 4.321
74 HD2 PRO 12 HD2 PRO 11 29.791 3.492 6.104
75 HD3 PRO 12 HD1 PRO 11 29.742 3.785 4.353
76 H ALA 13 HN ALA 12 30.648 1.215 7.090
77 HA ALA 13 HA ALA 12 32.440 0.157 9.017
78 HB1 ALA 13 HB1 ALA 12 30.097 0.999 9.435
79 HB2 ALA 13 HB2 ALA 12 30.535 -0.509 10.236
80 HB3 ALA 13 HB3 ALA 12 29.524 -0.540 8.793
81 H SER 14 HN SER 13 30.633 -1.319 6.351
82 HA SER 14 HA SER 13 31.186 -4.008 7.129
83 HB2 SER 14 HB2 SER 13 30.412 -4.591 4.838
84 HB3 SER 14 HB1 SER 13 29.286 -3.545 5.698
85 HG SER 14 HG SER 13 30.214 -3.115 3.346
86 H DAL 15 HN DAL 14 32.994 -1.597 5.414
87 HA DAL 15 HA DAL 14 35.229 -3.443 5.173
88 HB1 DAL 15 HB1 DAL 14 35.076 -0.475 4.649
89 HB2 DAL 15 HB2 DAL 14 36.547 -1.448 4.641
90 HB3 DAL 15 HB3 DAL 14 35.634 -1.242 6.135
91 H NVA 16 HN NVA 15 33.016 -1.644 3.121
92 HA NVA 16 HA NVA 15 34.264 -2.865 0.747
93 HB2 NVA 16 HB1 NVA 15 31.320 -2.425 1.294
94 HB3 NVA 16 HB2 NVA 15 32.150 -3.974 1.308
95 HG2 NVA 16 HG1 NVA 15 32.609 -3.775 -1.073
96 HG3 NVA 16 HG2 NVA 15 31.824 -2.192 -1.102
97 HD1 NVA 16 HD1 NVA 15 29.838 -3.615 -0.043
98 HD2 NVA 16 HD2 NVA 15 30.641 -4.898 -0.950
99 HD3 NVA 16 HD3 NVA 15 30.069 -3.453 -1.783
100 HA PRO 17 HA PRO 16 34.495 1.334 -0.681
101 HB2 PRO 17 HB2 PRO 16 35.145 0.880 -3.258
102 HB3 PRO 17 HB1 PRO 16 36.283 0.601 -1.936
103 HG2 PRO 17 HG2 PRO 16 34.599 -1.367 -3.432
104 HG3 PRO 17 HG1 PRO 16 36.289 -1.504 -2.915
105 HD2 PRO 17 HD2 PRO 16 34.206 -2.652 -1.575
106 HD3 PRO 17 HD1 PRO 16 35.715 -2.147 -0.789
107 HA PRO 18 HA PRO 17 30.318 2.061 -2.141
108 HB2 PRO 18 HB2 PRO 17 30.769 4.700 -2.857
109 HB3 PRO 18 HB1 PRO 17 30.338 4.153 -1.234
110 HG2 PRO 18 HG2 PRO 17 33.026 4.810 -2.363
111 HG3 PRO 18 HG1 PRO 17 32.359 5.179 -0.761
112 HD2 PRO 18 HD2 PRO 17 34.095 3.176 -1.103
113 HD3 PRO 18 HD1 PRO 17 32.734 3.024 0.029
114 HA PRO 19 HA PRO 18 30.939 1.473 -6.519
115 HB2 PRO 19 HB2 PRO 18 28.354 1.490 -7.302
116 HB3 PRO 19 HB1 PRO 18 29.068 0.136 -6.419
117 HG2 PRO 19 HG2 PRO 18 27.351 2.364 -5.407
118 HG3 PRO 19 HG1 PRO 18 27.300 0.638 -5.003
119 HD2 PRO 19 HD2 PRO 18 28.480 2.525 -3.422
120 HD3 PRO 19 HD1 PRO 18 28.986 0.826 -3.459
121 H SER 20 HN SER 19 31.270 2.771 -8.240
122 HA SER 20 HA SER 19 29.850 5.338 -8.392
123 HB2 SER 20 HB2 SER 19 32.840 4.925 -8.441
124 HB3 SER 20 HB1 SER 19 32.079 6.367 -9.112
125 HG SER 20 HG SER 19 32.286 5.531 -6.451
126 HN1 NH2 21 H2 SER 19 28.855 5.396 -10.286
127 HN2 NH2 21 H1 SER 19 29.451 4.756 -11.776
Start of MODEL 6
1 H1 ACE 1 HA2 ALA 1 19.556 1.069 -6.440
2 H2 ACE 1 HA3 ALA 1 20.454 1.953 -7.682
3 H3 ACE 1 HA1 ALA 1 20.240 2.659 -6.073
4 H ALA 2 HN ALA 1 22.702 2.050 -7.581
5 HA ALA 2 HA ALA 1 23.952 -0.214 -6.368
6 HB1 ALA 2 HB2 ALA 1 25.371 2.120 -7.632
7 HB2 ALA 2 HB3 ALA 1 24.598 0.842 -8.571
8 HB3 ALA 2 HB1 ALA 1 25.930 0.454 -7.482
9 H TYR 3 HN TYR 2 24.326 3.308 -5.885
10 HA TYR 3 HA TYR 2 26.101 3.088 -3.693
11 HB2 TYR 3 HB2 TYR 2 25.745 5.139 -5.118
12 HB3 TYR 3 HB1 TYR 2 24.230 5.395 -4.259
13 HD1 TYR 3 HD1 TYR 2 27.869 5.582 -4.063
14 HD2 TYR 3 HD2 TYR 2 24.236 6.050 -1.895
15 HE1 TYR 3 HE1 TYR 2 29.079 6.808 -2.309
16 HE2 TYR 3 HE2 TYR 2 25.441 7.278 -0.137
17 HH TYR 3 HH TYR 2 27.977 8.744 -0.320
18 H ALA 4 HN ALA 3 22.576 3.379 -3.901
19 HA ALA 4 HA ALA 3 22.046 3.712 -1.162
20 HB1 ALA 4 HB1 ALA 3 20.357 2.477 -3.333
21 HB2 ALA 4 HB2 ALA 3 20.341 4.155 -2.793
22 HB3 ALA 4 HB3 ALA 3 19.772 2.878 -1.717
23 H GLN 5 HN GLN 4 22.444 0.794 -3.135
24 HA GLN 5 HA GLN 4 21.743 -1.069 -1.117
25 HB2 GLN 5 HB2 GLN 4 22.928 -1.161 -3.802
26 HB3 GLN 5 HB1 GLN 4 23.507 -2.429 -2.732
27 HG2 GLN 5 HG2 GLN 4 21.142 -3.030 -2.263
28 HG3 GLN 5 HG1 GLN 4 20.652 -1.854 -3.481
29 HE21 GLN 5 HE21 GLN 4 21.742 -5.020 -2.888
30 HE22 GLN 5 HE22 GLN 4 21.879 -5.535 -4.532
31 H TRP 6 HN TRP 5 24.774 0.458 -2.069
32 HA TRP 6 HA TRP 5 26.581 -1.050 -0.580
33 HB2 TRP 6 HB2 TRP 5 27.409 0.523 -2.182
34 HB3 TRP 6 HB1 TRP 5 26.599 1.863 -1.382
35 HD1 TRP 6 HD1 TRP 5 29.468 -0.645 -0.629
36 HE1 TRP 6 HE1 TRP 5 31.210 0.569 0.823
37 HE3 TRP 6 HE3 TRP 5 27.061 3.826 -0.028
38 HZ2 TRP 6 HZ2 TRP 5 31.526 3.080 2.058
39 HZ3 TRP 6 HZ3 TRP 5 28.157 5.584 1.304
40 HH2 TRP 6 HH2 TRP 5 30.343 5.213 2.325
41 H LEU 7 HN LEU 6 24.606 1.740 0.375
42 HA LEU 7 HA LEU 6 25.666 2.011 2.988
43 HB2 LEU 7 HB2 LEU 6 23.044 2.862 1.770
44 HB3 LEU 7 HB1 LEU 6 23.483 3.230 3.426
45 HG LEU 7 HG LEU 6 25.045 4.121 1.003
46 HD11 LEU 7 HD11 LEU 6 22.776 5.309 2.477
47 HD12 LEU 7 HD12 LEU 6 23.255 5.486 0.789
48 HD13 LEU 7 HD13 LEU 6 24.101 6.389 2.045
49 HD21 LEU 7 HD21 LEU 6 26.184 5.594 2.608
50 HD22 LEU 7 HD22 LEU 6 26.432 3.890 2.986
51 HD23 LEU 7 HD23 LEU 6 25.281 4.843 3.924
52 H ALA 8 HN ALA 7 22.985 0.142 1.649
53 HA ALA 8 HA ALA 7 21.785 -0.683 4.038
54 HB1 ALA 8 HB1 ALA 7 20.404 -1.305 2.384
55 HB2 ALA 8 HB2 ALA 7 21.342 -2.798 2.384
56 HB3 ALA 8 HB3 ALA 7 21.719 -1.520 1.231
57 H ASP 9 HN ASP 8 24.583 -1.965 2.306
58 HA ASP 9 HA ASP 8 24.795 -4.348 3.868
59 HB2 ASP 9 HB2 ASP 8 27.063 -3.064 2.346
60 HB3 ASP 9 HB1 ASP 8 26.835 -4.765 2.728
61 H DAL 10 HN DAL 9 25.567 -1.086 4.511
62 HA DAL 10 HA DAL 9 27.402 -1.877 6.675
63 HB1 DAL 10 HB1 DAL 9 25.033 -0.034 6.799
64 HB2 DAL 10 HB2 DAL 9 26.307 -0.031 8.018
65 HB3 DAL 10 HB3 DAL 9 25.345 -1.485 7.751
66 H GLY 11 HN GLY 10 27.549 -0.432 3.865
67 HA2 GLY 11 HA2 GLY 10 28.742 1.287 2.925
68 HA3 GLY 11 HA1 GLY 10 28.476 2.195 4.404
69 HA PRO 12 HA PRO 11 32.980 1.775 4.522
70 HB2 PRO 12 HB2 PRO 11 32.657 3.415 6.960
71 HB3 PRO 12 HB1 PRO 11 33.623 3.724 5.514
72 HG2 PRO 12 HG2 PRO 11 31.383 5.102 6.019
73 HG3 PRO 12 HG1 PRO 11 31.851 4.661 4.367
74 HD2 PRO 12 HD2 PRO 11 29.803 3.411 6.157
75 HD3 PRO 12 HD1 PRO 11 29.728 3.738 4.413
76 H ALA 13 HN ALA 12 30.680 1.109 7.093
77 HA ALA 13 HA ALA 12 32.515 -0.014 8.943
78 HB1 ALA 13 HB1 ALA 12 29.533 -0.154 8.658
79 HB2 ALA 13 HB2 ALA 12 30.496 0.692 9.870
80 HB3 ALA 13 HB3 ALA 12 30.387 -1.068 9.901
81 H SER 14 HN SER 13 30.546 -1.428 6.348
82 HA SER 14 HA SER 13 31.067 -4.131 7.011
83 HB2 SER 14 HB2 SER 13 30.260 -4.641 4.737
84 HB3 SER 14 HB1 SER 13 29.197 -3.505 5.564
85 HG SER 14 HG SER 13 30.902 -3.102 3.390
86 H DAL 15 HN DAL 14 32.921 -1.737 5.291
87 HA DAL 15 HA DAL 14 35.129 -3.621 5.068
88 HB1 DAL 15 HB1 DAL 14 35.570 -1.426 6.035
89 HB2 DAL 15 HB2 DAL 14 35.036 -0.650 4.544
90 HB3 DAL 15 HB3 DAL 14 36.486 -1.651 4.546
91 H NVA 16 HN NVA 15 33.027 -1.682 3.004
92 HA NVA 16 HA NVA 15 34.238 -2.945 0.634
93 HB2 NVA 16 HB1 NVA 15 31.293 -2.473 1.155
94 HB3 NVA 16 HB2 NVA 15 32.103 -4.031 1.182
95 HG2 NVA 16 HG1 NVA 15 32.241 -2.384 -1.299
96 HG3 NVA 16 HG2 NVA 15 30.756 -3.264 -0.921
97 HD1 NVA 16 HD1 NVA 15 32.764 -4.331 -2.322
98 HD2 NVA 16 HD2 NVA 15 31.702 -5.286 -1.287
99 HD3 NVA 16 HD3 NVA 15 33.284 -4.776 -0.697
100 HA PRO 17 HA PRO 16 34.591 1.255 -0.756
101 HB2 PRO 17 HB2 PRO 16 35.171 0.785 -3.360
102 HB3 PRO 17 HB1 PRO 16 36.334 0.513 -2.058
103 HG2 PRO 17 HG2 PRO 16 34.601 -1.462 -3.492
104 HG3 PRO 17 HG1 PRO 16 36.304 -1.603 -3.017
105 HD2 PRO 17 HD2 PRO 16 34.281 -2.740 -1.608
106 HD3 PRO 17 HD1 PRO 16 35.784 -2.178 -0.853
107 HA PRO 18 HA PRO 17 30.383 2.050 -2.117
108 HB2 PRO 18 HB2 PRO 17 30.835 4.725 -2.673
109 HB3 PRO 18 HB1 PRO 17 30.414 4.083 -1.083
110 HG2 PRO 18 HG2 PRO 17 33.098 4.796 -2.191
111 HG3 PRO 18 HG1 PRO 17 32.442 5.081 -0.567
112 HD2 PRO 18 HD2 PRO 17 34.167 3.094 -1.025
113 HD3 PRO 18 HD1 PRO 17 32.807 2.882 0.100
114 HA PRO 19 HA PRO 18 30.993 1.672 -6.525
115 HB2 PRO 19 HB2 PRO 18 28.396 1.814 -7.287
116 HB3 PRO 19 HB1 PRO 18 29.095 0.377 -6.533
117 HG2 PRO 19 HG2 PRO 18 27.444 2.549 -5.304
118 HG3 PRO 19 HG1 PRO 18 27.349 0.796 -5.058
119 HD2 PRO 19 HD2 PRO 18 28.580 2.465 -3.309
120 HD3 PRO 19 HD1 PRO 18 29.096 0.785 -3.562
121 H SER 20 HN SER 19 31.301 3.043 -8.203
122 HA SER 20 HA SER 19 30.247 5.783 -7.925
123 HB2 SER 20 HB2 SER 19 32.824 4.850 -9.218
124 HB3 SER 20 HB1 SER 19 32.245 6.516 -9.205
125 HG SER 20 HG SER 19 33.531 5.117 -7.265
126 HN1 NH2 21 H2 SER 19 28.402 4.478 -9.051
127 HN2 NH2 21 H1 SER 19 28.402 4.555 -10.778
Start of MODEL 7
1 H1 ACE 1 HA2 ALA 1 19.707 1.579 -7.049
2 H2 ACE 1 HA3 ALA 1 20.622 3.083 -7.223
3 H3 ACE 1 HA1 ALA 1 19.850 2.691 -5.680
4 H ALA 2 HN ALA 1 22.656 2.407 -7.589
5 HA ALA 2 HA ALA 1 23.826 0.111 -6.408
6 HB1 ALA 2 HB2 ALA 1 24.587 1.065 -8.542
7 HB2 ALA 2 HB3 ALA 1 25.908 0.877 -7.389
8 HB3 ALA 2 HB1 ALA 1 25.212 2.471 -7.678
9 H TYR 3 HN TYR 2 24.263 3.595 -5.749
10 HA TYR 3 HA TYR 2 26.054 3.263 -3.589
11 HB2 TYR 3 HB2 TYR 2 25.665 5.391 -4.888
12 HB3 TYR 3 HB1 TYR 2 24.158 5.581 -4.000
13 HD1 TYR 3 HD1 TYR 2 27.791 5.810 -3.839
14 HD2 TYR 3 HD2 TYR 2 24.185 6.082 -1.595
15 HE1 TYR 3 HE1 TYR 2 29.011 6.940 -2.028
16 HE2 TYR 3 HE2 TYR 2 25.398 7.215 0.221
17 HH TYR 3 HH TYR 2 28.143 8.685 -0.033
18 H ALA 4 HN ALA 3 22.524 3.529 -3.742
19 HA ALA 4 HA ALA 3 22.022 3.711 -0.986
20 HB1 ALA 4 HB1 ALA 3 20.320 2.557 -3.192
21 HB2 ALA 4 HB2 ALA 3 20.294 4.211 -2.582
22 HB3 ALA 4 HB3 ALA 3 19.752 2.884 -1.554
23 H GLN 5 HN GLN 4 22.388 0.895 -3.118
24 HA GLN 5 HA GLN 4 21.756 -1.074 -1.193
25 HB2 GLN 5 HB2 GLN 4 22.364 -1.074 -3.892
26 HB3 GLN 5 HB1 GLN 4 23.742 -1.900 -3.177
27 HG2 GLN 5 HG2 GLN 4 21.062 -2.748 -2.266
28 HG3 GLN 5 HG1 GLN 4 21.508 -3.151 -3.922
29 HE21 GLN 5 HE21 GLN 4 22.483 -5.031 -4.175
30 HE22 GLN 5 HE22 GLN 4 23.402 -5.871 -2.977
31 H TRP 6 HN TRP 5 24.766 0.535 -2.088
32 HA TRP 6 HA TRP 5 26.602 -1.019 -0.687
33 HB2 TRP 6 HB2 TRP 5 27.406 0.655 -2.194
34 HB3 TRP 6 HB1 TRP 5 26.563 1.934 -1.331
35 HD1 TRP 6 HD1 TRP 5 29.459 -0.567 -0.645
36 HE1 TRP 6 HE1 TRP 5 31.178 0.617 0.856
37 HE3 TRP 6 HE3 TRP 5 27.009 3.864 0.066
38 HZ2 TRP 6 HZ2 TRP 5 31.463 3.095 2.166
39 HZ3 TRP 6 HZ3 TRP 5 28.077 5.590 1.457
40 HH2 TRP 6 HH2 TRP 5 30.259 5.211 2.485
41 H LEU 7 HN LEU 6 24.629 1.720 0.424
42 HA LEU 7 HA LEU 6 25.671 1.854 3.046
43 HB2 LEU 7 HB2 LEU 6 23.028 2.711 1.881
44 HB3 LEU 7 HB1 LEU 6 23.468 3.006 3.552
45 HG LEU 7 HG LEU 6 24.989 4.050 1.162
46 HD11 LEU 7 HD11 LEU 6 23.139 5.368 1.067
47 HD12 LEU 7 HD12 LEU 6 24.040 6.248 2.303
48 HD13 LEU 7 HD13 LEU 6 22.750 5.141 2.772
49 HD21 LEU 7 HD21 LEU 6 26.434 3.752 3.070
50 HD22 LEU 7 HD22 LEU 6 25.272 4.562 4.120
51 HD23 LEU 7 HD23 LEU 6 26.100 5.471 2.857
52 H ALA 8 HN ALA 7 23.068 -0.036 1.603
53 HA ALA 8 HA ALA 7 21.862 -0.992 3.944
54 HB1 ALA 8 HB1 ALA 7 20.677 -2.432 2.599
55 HB2 ALA 8 HB2 ALA 7 22.042 -2.724 1.521
56 HB3 ALA 8 HB3 ALA 7 21.162 -1.198 1.436
57 H ASP 9 HN ASP 8 24.696 -2.137 2.170
58 HA ASP 9 HA ASP 8 24.983 -4.564 3.644
59 HB2 ASP 9 HB2 ASP 8 27.173 -3.117 2.146
60 HB3 ASP 9 HB1 ASP 8 27.080 -4.833 2.521
61 H DAL 10 HN DAL 9 25.635 -1.310 4.430
62 HA DAL 10 HA DAL 9 27.490 -2.122 6.571
63 HB1 DAL 10 HB1 DAL 9 24.918 -0.670 6.722
64 HB2 DAL 10 HB2 DAL 9 26.220 -0.101 7.766
65 HB3 DAL 10 HB3 DAL 9 25.671 -1.773 7.873
66 H GLY 11 HN GLY 10 27.590 -0.556 3.814
67 HA2 GLY 11 HA2 GLY 10 28.744 1.226 2.946
68 HA3 GLY 11 HA1 GLY 10 28.428 2.072 4.452
69 HA PRO 12 HA PRO 11 32.944 1.804 4.596
70 HB2 PRO 12 HB2 PRO 11 32.554 3.391 7.058
71 HB3 PRO 12 HB1 PRO 11 33.513 3.759 5.622
72 HG2 PRO 12 HG2 PRO 11 31.224 5.048 6.145
73 HG3 PRO 12 HG1 PRO 11 31.715 4.660 4.486
74 HD2 PRO 12 HD2 PRO 11 29.703 3.300 6.237
75 HD3 PRO 12 HD1 PRO 11 29.626 3.661 4.500
76 H ALA 13 HN ALA 12 30.643 1.008 7.130
77 HA ALA 13 HA ALA 12 32.500 -0.089 8.970
78 HB1 ALA 13 HB1 ALA 12 30.716 -0.540 10.292
79 HB2 ALA 13 HB2 ALA 12 29.729 -1.126 8.954
80 HB3 ALA 13 HB3 ALA 12 29.940 0.607 9.200
81 H SER 14 HN SER 13 30.635 -1.511 6.310
82 HA SER 14 HA SER 13 31.348 -4.200 6.954
83 HB2 SER 14 HB2 SER 13 30.469 -4.727 4.675
84 HB3 SER 14 HB1 SER 13 29.343 -3.813 5.672
85 HG SER 14 HG SER 13 29.442 -2.220 4.302
86 H DAL 15 HN DAL 14 32.935 -1.644 5.223
87 HA DAL 15 HA DAL 14 35.141 -3.486 4.613
88 HB1 DAL 15 HB1 DAL 14 35.212 -0.476 4.731
89 HB2 DAL 15 HB2 DAL 14 36.589 -1.572 4.632
90 HB3 DAL 15 HB3 DAL 14 35.590 -1.539 6.085
91 H NVA 16 HN NVA 15 32.727 -3.155 2.902
92 HA NVA 16 HA NVA 15 33.964 -3.176 0.390
93 HB2 NVA 16 HB1 NVA 15 31.055 -2.790 1.120
94 HB3 NVA 16 HB2 NVA 15 31.856 -4.319 0.784
95 HG2 NVA 16 HG1 NVA 15 32.221 -3.627 -1.532
96 HG3 NVA 16 HG2 NVA 15 31.414 -2.091 -1.196
97 HD1 NVA 16 HD1 NVA 15 29.334 -3.123 -0.905
98 HD2 NVA 16 HD2 NVA 15 30.055 -4.723 -0.727
99 HD3 NVA 16 HD3 NVA 15 30.038 -3.932 -2.304
100 HA PRO 17 HA PRO 16 34.240 1.197 -0.387
101 HB2 PRO 17 HB2 PRO 16 35.034 1.111 -2.953
102 HB3 PRO 17 HB1 PRO 16 36.099 0.624 -1.630
103 HG2 PRO 17 HG2 PRO 16 34.486 -1.079 -3.489
104 HG3 PRO 17 HG1 PRO 16 36.146 -1.311 -2.915
105 HD2 PRO 17 HD2 PRO 16 33.978 -2.611 -1.863
106 HD3 PRO 17 HD1 PRO 16 35.463 -2.273 -0.953
107 HA PRO 18 HA PRO 17 30.229 2.221 -2.046
108 HB2 PRO 18 HB2 PRO 17 30.742 4.872 -2.573
109 HB3 PRO 18 HB1 PRO 17 30.321 4.239 -0.978
110 HG2 PRO 18 HG2 PRO 17 33.012 4.892 -2.109
111 HG3 PRO 18 HG1 PRO 17 32.371 5.210 -0.486
112 HD2 PRO 18 HD2 PRO 17 34.049 3.172 -0.953
113 HD3 PRO 18 HD1 PRO 17 32.718 3.026 0.215
114 HA PRO 19 HA PRO 18 30.969 1.822 -6.428
115 HB2 PRO 19 HB2 PRO 18 28.406 2.073 -7.277
116 HB3 PRO 19 HB1 PRO 18 29.017 0.610 -6.497
117 HG2 PRO 19 HG2 PRO 18 27.424 2.856 -5.326
118 HG3 PRO 19 HG1 PRO 18 27.241 1.108 -5.085
119 HD2 PRO 19 HD2 PRO 18 28.488 2.721 -3.293
120 HD3 PRO 19 HD1 PRO 18 28.937 1.021 -3.531
121 H SER 20 HN SER 19 31.347 3.167 -8.124
122 HA SER 20 HA SER 19 30.187 5.869 -8.066
123 HB2 SER 20 HB2 SER 19 33.111 5.162 -8.355
124 HB3 SER 20 HB1 SER 19 32.453 6.733 -8.806
125 HG SER 20 HG SER 19 32.816 7.174 -6.778
126 HN1 NH2 21 H2 SER 19 30.012 6.890 -10.095
127 HN2 NH2 21 H1 SER 19 30.119 6.004 -11.573
Start of MODEL 8
1 H1 ACE 1 HA2 ALA 1 19.373 1.504 -6.406
2 H2 ACE 1 HA3 ALA 1 20.344 2.288 -7.659
3 H3 ACE 1 HA1 ALA 1 20.165 3.049 -6.071
4 H ALA 2 HN ALA 1 22.557 2.110 -7.621
5 HA ALA 2 HA ALA 1 23.636 -0.164 -6.303
6 HB1 ALA 2 HB2 ALA 1 24.851 0.090 -8.174
7 HB2 ALA 2 HB3 ALA 1 25.836 1.169 -7.185
8 HB3 ALA 2 HB1 ALA 1 24.582 1.832 -8.234
9 H TYR 3 HN TYR 2 24.180 3.338 -5.878
10 HA TYR 3 HA TYR 2 26.001 3.099 -3.734
11 HB2 TYR 3 HB2 TYR 2 25.626 5.150 -5.154
12 HB3 TYR 3 HB1 TYR 2 24.144 5.429 -4.245
13 HD1 TYR 3 HD1 TYR 2 27.774 5.637 -4.208
14 HD2 TYR 3 HD2 TYR 2 24.250 6.023 -1.852
15 HE1 TYR 3 HE1 TYR 2 29.057 6.855 -2.501
16 HE2 TYR 3 HE2 TYR 2 25.526 7.243 -0.139
17 HH TYR 3 HH TYR 2 28.722 7.214 0.148
18 H ALA 4 HN ALA 3 22.473 3.414 -3.834
19 HA ALA 4 HA ALA 3 22.032 3.767 -1.081
20 HB1 ALA 4 HB1 ALA 3 20.277 2.559 -3.213
21 HB2 ALA 4 HB2 ALA 3 20.268 4.222 -2.625
22 HB3 ALA 4 HB3 ALA 3 19.737 2.912 -1.571
23 H GLN 5 HN GLN 4 22.315 0.834 -3.058
24 HA GLN 5 HA GLN 4 21.672 -1.021 -1.026
25 HB2 GLN 5 HB2 GLN 4 22.506 -1.115 -3.753
26 HB3 GLN 5 HB1 GLN 4 23.559 -2.177 -2.830
27 HG2 GLN 5 HG2 GLN 4 21.786 -3.519 -3.567
28 HG3 GLN 5 HG1 GLN 4 21.464 -3.203 -1.862
29 HE21 GLN 5 HE21 GLN 4 19.682 -2.018 -1.282
30 HE22 GLN 5 HE22 GLN 4 18.462 -1.531 -2.404
31 H TRP 6 HN TRP 5 24.691 0.495 -2.031
32 HA TRP 6 HA TRP 5 26.524 -1.018 -0.583
33 HB2 TRP 6 HB2 TRP 5 27.311 0.580 -2.189
34 HB3 TRP 6 HB1 TRP 5 26.533 1.910 -1.341
35 HD1 TRP 6 HD1 TRP 5 29.395 -0.638 -0.710
36 HE1 TRP 6 HE1 TRP 5 31.186 0.528 0.718
37 HE3 TRP 6 HE3 TRP 5 27.054 3.848 0.035
38 HZ2 TRP 6 HZ2 TRP 5 31.564 3.012 1.991
39 HZ3 TRP 6 HZ3 TRP 5 28.204 5.566 1.371
40 HH2 TRP 6 HH2 TRP 5 30.412 5.152 2.328
41 H LEU 7 HN LEU 6 24.587 1.781 0.429
42 HA LEU 7 HA LEU 6 25.689 2.015 3.027
43 HB2 LEU 7 HB2 LEU 6 23.054 2.899 1.860
44 HB3 LEU 7 HB1 LEU 6 23.523 3.250 3.512
45 HG LEU 7 HG LEU 6 25.069 4.141 1.079
46 HD11 LEU 7 HD11 LEU 6 24.169 6.422 1.972
47 HD12 LEU 7 HD12 LEU 6 22.887 5.424 2.657
48 HD13 LEU 7 HD13 LEU 6 23.170 5.425 0.916
49 HD21 LEU 7 HD21 LEU 6 26.461 3.908 3.054
50 HD22 LEU 7 HD22 LEU 6 25.314 4.857 4.000
51 HD23 LEU 7 HD23 LEU 6 26.212 5.616 2.685
52 H ALA 8 HN ALA 7 22.969 0.181 1.713
53 HA ALA 8 HA ALA 7 21.818 -0.664 4.127
54 HB1 ALA 8 HB1 ALA 7 20.600 -0.926 2.093
55 HB2 ALA 8 HB2 ALA 7 20.877 -2.534 2.761
56 HB3 ALA 8 HB3 ALA 7 21.852 -1.961 1.409
57 H ASP 9 HN ASP 8 24.551 -1.936 2.291
58 HA ASP 9 HA ASP 8 24.781 -4.360 3.787
59 HB2 ASP 9 HB2 ASP 8 27.012 -3.051 2.229
60 HB3 ASP 9 HB1 ASP 8 26.798 -4.759 2.589
61 H DAL 10 HN DAL 9 25.598 -1.120 4.491
62 HA DAL 10 HA DAL 9 27.476 -1.981 6.590
63 HB1 DAL 10 HB1 DAL 9 25.382 -1.570 7.657
64 HB2 DAL 10 HB2 DAL 9 25.200 -0.025 6.826
65 HB3 DAL 10 HB3 DAL 9 26.460 -0.229 8.044
66 H GLY 11 HN GLY 10 27.573 -0.474 3.808
67 HA2 GLY 11 HA2 GLY 10 28.796 1.222 2.871
68 HA3 GLY 11 HA1 GLY 10 28.537 2.127 4.354
69 HA PRO 12 HA PRO 11 33.039 1.676 4.465
70 HB2 PRO 12 HB2 PRO 11 32.734 3.318 6.902
71 HB3 PRO 12 HB1 PRO 11 33.696 3.621 5.453
72 HG2 PRO 12 HG2 PRO 11 31.468 5.013 5.968
73 HG3 PRO 12 HG1 PRO 11 31.928 4.572 4.314
74 HD2 PRO 12 HD2 PRO 11 29.878 3.333 6.108
75 HD3 PRO 12 HD1 PRO 11 29.799 3.664 4.366
76 H ALA 13 HN ALA 12 30.731 1.015 7.031
77 HA ALA 13 HA ALA 12 32.561 -0.115 8.881
78 HB1 ALA 13 HB1 ALA 12 30.655 -0.847 10.108
79 HB2 ALA 13 HB2 ALA 12 29.614 -0.705 8.692
80 HB3 ALA 13 HB3 ALA 12 30.284 0.744 9.443
81 H SER 14 HN SER 13 30.657 -1.497 6.233
82 HA SER 14 HA SER 13 31.178 -4.213 6.919
83 HB2 SER 14 HB2 SER 13 30.344 -4.723 4.643
84 HB3 SER 14 HB1 SER 13 29.269 -3.640 5.522
85 HG SER 14 HG SER 13 29.665 -2.107 4.123
86 H DAL 15 HN DAL 14 32.984 -1.789 5.205
87 HA DAL 15 HA DAL 14 35.202 -3.649 4.911
88 HB1 DAL 15 HB1 DAL 14 35.662 -1.474 5.883
89 HB2 DAL 15 HB2 DAL 14 35.049 -0.673 4.436
90 HB3 DAL 15 HB3 DAL 14 36.516 -1.647 4.350
91 H NVA 16 HN NVA 15 33.002 -1.771 2.906
92 HA NVA 16 HA NVA 15 34.181 -3.007 0.505
93 HB2 NVA 16 HB1 NVA 15 31.254 -2.509 1.091
94 HB3 NVA 16 HB2 NVA 15 32.051 -4.074 1.098
95 HG2 NVA 16 HG1 NVA 15 32.522 -3.836 -1.300
96 HG3 NVA 16 HG2 NVA 15 31.678 -2.284 -1.298
97 HD1 NVA 16 HD1 NVA 15 29.624 -3.249 -1.135
98 HD2 NVA 16 HD2 NVA 15 30.226 -4.638 -0.231
99 HD3 NVA 16 HD3 NVA 15 30.474 -4.547 -1.974
100 HA PRO 17 HA PRO 16 34.530 1.187 -0.904
101 HB2 PRO 17 HB2 PRO 16 35.026 0.715 -3.525
102 HB3 PRO 17 HB1 PRO 16 36.224 0.424 -2.258
103 HG2 PRO 17 HG2 PRO 16 34.426 -1.521 -3.649
104 HG3 PRO 17 HG1 PRO 16 36.138 -1.688 -3.219
105 HD2 PRO 17 HD2 PRO 16 34.129 -2.798 -1.763
106 HD3 PRO 17 HD1 PRO 16 35.665 -2.274 -1.048
107 HA PRO 18 HA PRO 17 30.299 2.042 -2.148
108 HB2 PRO 18 HB2 PRO 17 30.773 4.709 -2.726
109 HB3 PRO 18 HB1 PRO 17 30.384 4.076 -1.125
110 HG2 PRO 18 HG2 PRO 17 33.047 4.753 -2.301
111 HG3 PRO 18 HG1 PRO 17 32.437 5.043 -0.660
112 HD2 PRO 18 HD2 PRO 17 34.126 3.035 -1.172
113 HD3 PRO 18 HD1 PRO 17 32.800 2.841 -0.005
114 HA PRO 19 HA PRO 18 30.792 1.704 -6.571
115 HB2 PRO 19 HB2 PRO 18 28.183 1.706 -7.258
116 HB3 PRO 19 HB1 PRO 18 28.952 0.322 -6.473
117 HG2 PRO 19 HG2 PRO 18 27.231 2.458 -5.286
118 HG3 PRO 19 HG1 PRO 18 27.227 0.715 -4.971
119 HD2 PRO 19 HD2 PRO 18 28.430 2.551 -3.340
120 HD3 PRO 19 HD1 PRO 18 28.954 0.861 -3.473
121 H SER 20 HN SER 19 31.671 3.528 -7.410
122 HA SER 20 HA SER 19 29.837 5.636 -8.250
123 HB2 SER 20 HB2 SER 19 32.319 6.132 -6.593
124 HB3 SER 20 HB1 SER 19 31.488 7.393 -7.503
125 HG SER 20 HG SER 19 30.635 7.462 -5.483
126 HN1 NH2 21 H2 SER 19 30.086 5.295 -10.389
127 HN2 NH2 21 H1 SER 19 31.594 5.343 -11.231
Start of MODEL 9
1 H1 ACE 1 HA2 ALA 1 19.359 1.741 -6.297
2 H2 ACE 1 HA3 ALA 1 20.262 2.727 -7.457
3 H3 ACE 1 HA1 ALA 1 20.074 3.277 -5.786
4 H ALA 2 HN ALA 1 22.491 2.690 -7.451
5 HA ALA 2 HA ALA 1 23.709 0.328 -6.431
6 HB1 ALA 2 HB2 ALA 1 25.807 1.307 -7.346
7 HB2 ALA 2 HB3 ALA 1 24.900 2.765 -7.745
8 HB3 ALA 2 HB1 ALA 1 24.486 1.232 -8.511
9 H TYR 3 HN TYR 2 24.177 3.786 -5.663
10 HA TYR 3 HA TYR 2 25.991 3.357 -3.541
11 HB2 TYR 3 HB2 TYR 2 25.632 5.527 -4.764
12 HB3 TYR 3 HB1 TYR 2 24.130 5.718 -3.866
13 HD1 TYR 3 HD1 TYR 2 27.791 5.756 -3.652
14 HD2 TYR 3 HD2 TYR 2 24.151 6.269 -1.507
15 HE1 TYR 3 HE1 TYR 2 29.033 6.809 -1.811
16 HE2 TYR 3 HE2 TYR 2 25.385 7.328 0.340
17 HH TYR 3 HH TYR 2 27.694 7.353 1.245
18 H ALA 4 HN ALA 3 22.464 3.669 -3.636
19 HA ALA 4 HA ALA 3 22.006 3.764 -0.864
20 HB1 ALA 4 HB1 ALA 3 20.293 4.346 -2.492
21 HB2 ALA 4 HB2 ALA 3 19.715 3.088 -1.399
22 HB3 ALA 4 HB3 ALA 3 20.221 2.669 -3.037
23 H GLN 5 HN GLN 4 22.295 1.026 -3.106
24 HA GLN 5 HA GLN 4 21.644 -1.005 -1.245
25 HB2 GLN 5 HB2 GLN 4 21.814 -1.138 -3.823
26 HB3 GLN 5 HB1 GLN 4 23.532 -1.401 -3.555
27 HG2 GLN 5 HG2 GLN 4 23.080 -3.556 -3.359
28 HG3 GLN 5 HG1 GLN 4 22.278 -3.184 -1.834
29 HE21 GLN 5 HE21 GLN 4 19.984 -2.784 -1.880
30 HE22 GLN 5 HE22 GLN 4 19.010 -3.508 -3.110
31 H TRP 6 HN TRP 5 24.655 0.601 -2.116
32 HA TRP 6 HA TRP 5 26.493 -1.052 -0.820
33 HB2 TRP 6 HB2 TRP 5 27.301 0.647 -2.295
34 HB3 TRP 6 HB1 TRP 5 26.501 1.917 -1.381
35 HD1 TRP 6 HD1 TRP 5 29.375 -0.643 -0.832
36 HE1 TRP 6 HE1 TRP 5 31.142 0.476 0.663
37 HE3 TRP 6 HE3 TRP 5 27.000 3.793 0.060
38 HZ2 TRP 6 HZ2 TRP 5 31.490 2.910 2.037
39 HZ3 TRP 6 HZ3 TRP 5 28.121 5.464 1.475
40 HH2 TRP 6 HH2 TRP 5 30.320 5.030 2.441
41 H LEU 7 HN LEU 6 24.583 1.674 0.417
42 HA LEU 7 HA LEU 6 25.697 1.734 3.011
43 HB2 LEU 7 HB2 LEU 6 23.039 2.651 1.930
44 HB3 LEU 7 HB1 LEU 6 23.511 2.889 3.602
45 HG LEU 7 HG LEU 6 24.981 4.002 1.209
46 HD11 LEU 7 HD11 LEU 6 24.128 6.181 2.341
47 HD12 LEU 7 HD12 LEU 6 22.899 5.123 3.033
48 HD13 LEU 7 HD13 LEU 6 23.054 5.268 1.282
49 HD21 LEU 7 HD21 LEU 6 26.178 5.336 2.916
50 HD22 LEU 7 HD22 LEU 6 26.491 3.605 3.050
51 HD23 LEU 7 HD23 LEU 6 25.382 4.390 4.173
52 H ALA 8 HN ALA 7 23.092 -0.151 1.578
53 HA ALA 8 HA ALA 7 21.881 -1.122 3.907
54 HB1 ALA 8 HB1 ALA 7 20.665 -2.465 2.540
55 HB2 ALA 8 HB2 ALA 7 22.062 -2.943 1.577
56 HB3 ALA 8 HB3 ALA 7 21.310 -1.370 1.318
57 H ASP 9 HN ASP 8 24.738 -2.254 2.154
58 HA ASP 9 HA ASP 8 25.034 -4.670 3.643
59 HB2 ASP 9 HB2 ASP 8 27.157 -3.175 2.086
60 HB3 ASP 9 HB1 ASP 8 27.207 -4.863 2.577
61 H DAL 10 HN DAL 9 25.649 -1.410 4.426
62 HA DAL 10 HA DAL 9 27.493 -2.199 6.581
63 HB1 DAL 10 HB1 DAL 9 25.343 -1.905 7.571
64 HB2 DAL 10 HB2 DAL 9 25.109 -0.367 6.742
65 HB3 DAL 10 HB3 DAL 9 26.330 -0.510 8.007
66 H GLY 11 HN GLY 10 27.640 -0.676 3.819
67 HA2 GLY 11 HA2 GLY 10 28.775 1.119 2.944
68 HA3 GLY 11 HA1 GLY 10 28.466 1.967 4.451
69 HA PRO 12 HA PRO 11 32.986 1.669 4.580
70 HB2 PRO 12 HB2 PRO 11 32.613 3.290 7.021
71 HB3 PRO 12 HB1 PRO 11 33.572 3.632 5.579
72 HG2 PRO 12 HG2 PRO 11 31.295 4.948 6.086
73 HG3 PRO 12 HG1 PRO 11 31.776 4.525 4.432
74 HD2 PRO 12 HD2 PRO 11 29.764 3.208 6.218
75 HD3 PRO 12 HD1 PRO 11 29.676 3.549 4.476
76 H ALA 13 HN ALA 12 30.686 0.922 7.131
77 HA ALA 13 HA ALA 12 32.535 -0.153 8.990
78 HB1 ALA 13 HB1 ALA 12 30.737 -0.640 10.299
79 HB2 ALA 13 HB2 ALA 12 29.739 -1.155 8.939
80 HB3 ALA 13 HB3 ALA 12 30.004 0.563 9.238
81 H SER 14 HN SER 13 30.685 -1.599 6.334
82 HA SER 14 HA SER 13 31.373 -4.291 6.991
83 HB2 SER 14 HB2 SER 13 30.502 -4.831 4.732
84 HB3 SER 14 HB1 SER 13 29.387 -3.837 5.666
85 HG SER 14 HG SER 13 29.675 -2.223 4.313
86 H DAL 15 HN DAL 14 32.999 -1.750 5.285
87 HA DAL 15 HA DAL 14 35.306 -3.465 4.902
88 HB1 DAL 15 HB1 DAL 14 35.643 -1.246 5.838
89 HB2 DAL 15 HB2 DAL 14 34.949 -0.512 4.391
90 HB3 DAL 15 HB3 DAL 14 36.473 -1.394 4.289
91 H NVA 16 HN NVA 15 32.947 -1.726 2.942
92 HA NVA 16 HA NVA 15 34.074 -3.004 0.538
93 HB2 NVA 16 HB1 NVA 15 31.196 -2.513 1.314
94 HB3 NVA 16 HB2 NVA 15 31.986 -4.059 1.052
95 HG2 NVA 16 HG1 NVA 15 32.305 -3.340 -1.356
96 HG3 NVA 16 HG2 NVA 15 31.192 -2.015 -1.000
97 HD1 NVA 16 HD1 NVA 15 29.855 -3.711 -1.912
98 HD2 NVA 16 HD2 NVA 15 29.587 -3.809 -0.171
99 HD3 NVA 16 HD3 NVA 15 30.655 -4.966 -0.967
100 HA PRO 17 HA PRO 16 34.539 1.144 -0.969
101 HB2 PRO 17 HB2 PRO 16 34.949 0.592 -3.592
102 HB3 PRO 17 HB1 PRO 16 36.170 0.303 -2.349
103 HG2 PRO 17 HG2 PRO 16 34.278 -1.628 -3.632
104 HG3 PRO 17 HG1 PRO 16 35.999 -1.832 -3.253
105 HD2 PRO 17 HD2 PRO 16 34.024 -2.854 -1.702
106 HD3 PRO 17 HD1 PRO 16 35.584 -2.323 -1.043
107 HA PRO 18 HA PRO 17 30.284 2.048 -2.131
108 HB2 PRO 18 HB2 PRO 17 30.744 4.736 -2.563
109 HB3 PRO 18 HB1 PRO 17 30.389 4.020 -0.989
110 HG2 PRO 18 HG2 PRO 17 33.027 4.769 -2.180
111 HG3 PRO 18 HG1 PRO 17 32.446 4.976 -0.517
112 HD2 PRO 18 HD2 PRO 17 34.132 3.000 -1.167
113 HD3 PRO 18 HD1 PRO 17 32.842 2.755 0.031
114 HA PRO 19 HA PRO 18 30.759 1.969 -6.567
115 HB2 PRO 19 HB2 PRO 18 28.153 2.054 -7.253
116 HB3 PRO 19 HB1 PRO 18 28.891 0.617 -6.535
117 HG2 PRO 19 HG2 PRO 18 27.208 2.726 -5.249
118 HG3 PRO 19 HG1 PRO 18 27.173 0.970 -5.019
119 HD2 PRO 19 HD2 PRO 18 28.408 2.706 -3.301
120 HD3 PRO 19 HD1 PRO 18 28.891 1.012 -3.506
121 H SER 20 HN SER 19 31.432 3.646 -7.742
122 HA SER 20 HA SER 19 29.693 5.911 -8.219
123 HB2 SER 20 HB2 SER 19 31.971 6.075 -6.382
124 HB3 SER 20 HB1 SER 19 32.029 7.275 -7.674
125 HG SER 20 HG SER 19 30.163 8.140 -6.978
126 HN1 NH2 21 H2 SER 19 30.295 7.141 -10.041
127 HN2 NH2 21 H1 SER 19 31.472 6.574 -11.170
Start of MODEL 10
1 H1 ACE 1 HA2 ALA 1 20.196 2.098 -6.988
2 H2 ACE 1 HA3 ALA 1 19.608 0.592 -7.686
3 H3 ACE 1 HA1 ALA 1 20.260 1.878 -8.735
4 H ALA 2 HN ALA 1 22.164 2.101 -6.181
5 HA ALA 2 HA ALA 1 23.848 -0.191 -6.388
6 HB1 ALA 2 HB2 ALA 1 24.790 0.441 -8.352
7 HB2 ALA 2 HB3 ALA 1 25.786 1.422 -7.276
8 HB3 ALA 2 HB1 ALA 1 24.413 2.147 -8.113
9 H TYR 3 HN TYR 2 24.312 3.325 -5.893
10 HA TYR 3 HA TYR 2 26.061 3.061 -3.712
11 HB2 TYR 3 HB2 TYR 2 25.725 5.116 -5.136
12 HB3 TYR 3 HB1 TYR 2 24.239 5.413 -4.241
13 HD1 TYR 3 HD1 TYR 2 27.873 5.565 -4.167
14 HD2 TYR 3 HD2 TYR 2 24.329 6.018 -1.851
15 HE1 TYR 3 HE1 TYR 2 29.156 6.770 -2.449
16 HE2 TYR 3 HE2 TYR 2 25.606 7.223 -0.127
17 HH TYR 3 HH TYR 2 28.857 7.171 0.134
18 H ALA 4 HN ALA 3 22.537 3.433 -3.846
19 HA ALA 4 HA ALA 3 22.074 3.787 -1.099
20 HB1 ALA 4 HB1 ALA 3 20.302 2.555 -3.204
21 HB2 ALA 4 HB2 ALA 3 20.352 4.250 -2.720
22 HB3 ALA 4 HB3 ALA 3 19.773 3.027 -1.589
23 H GLN 5 HN GLN 4 22.327 0.844 -3.066
24 HA GLN 5 HA GLN 4 21.642 -0.993 -1.029
25 HB2 GLN 5 HB2 GLN 4 22.688 -1.102 -3.745
26 HB3 GLN 5 HB1 GLN 4 23.412 -2.330 -2.716
27 HG2 GLN 5 HG2 GLN 4 20.868 -2.697 -2.036
28 HG3 GLN 5 HG1 GLN 4 20.621 -2.035 -3.652
29 HE21 GLN 5 HE21 GLN 4 21.524 -4.763 -1.815
30 HE22 GLN 5 HE22 GLN 4 21.887 -5.819 -3.132
31 H TRP 6 HN TRP 5 24.695 0.455 -2.039
32 HA TRP 6 HA TRP 5 26.498 -1.080 -0.576
33 HB2 TRP 6 HB2 TRP 5 27.331 0.487 -2.182
34 HB3 TRP 6 HB1 TRP 5 26.553 1.837 -1.369
35 HD1 TRP 6 HD1 TRP 5 29.394 -0.716 -0.654
36 HE1 TRP 6 HE1 TRP 5 31.174 0.468 0.772
37 HE3 TRP 6 HE3 TRP 5 27.066 3.792 -0.021
38 HZ2 TRP 6 HZ2 TRP 5 31.549 2.977 2.003
39 HZ3 TRP 6 HZ3 TRP 5 28.208 5.532 1.295
40 HH2 TRP 6 HH2 TRP 5 30.402 5.128 2.285
41 H LEU 7 HN LEU 6 24.604 1.755 0.418
42 HA LEU 7 HA LEU 6 25.703 1.990 3.017
43 HB2 LEU 7 HB2 LEU 6 23.062 2.883 1.865
44 HB3 LEU 7 HB1 LEU 6 23.573 3.265 3.498
45 HG LEU 7 HG LEU 6 25.095 4.078 1.022
46 HD11 LEU 7 HD11 LEU 6 23.300 5.437 0.764
47 HD12 LEU 7 HD12 LEU 6 24.164 6.388 1.973
48 HD13 LEU 7 HD13 LEU 6 22.836 5.335 2.462
49 HD21 LEU 7 HD21 LEU 6 25.338 4.906 3.914
50 HD22 LEU 7 HD22 LEU 6 26.242 5.605 2.571
51 HD23 LEU 7 HD23 LEU 6 26.483 3.914 3.011
52 H ALA 8 HN ALA 7 22.950 0.193 1.714
53 HA ALA 8 HA ALA 7 21.801 -0.637 4.134
54 HB1 ALA 8 HB1 ALA 7 20.611 -0.855 2.047
55 HB2 ALA 8 HB2 ALA 7 20.772 -2.444 2.796
56 HB3 ALA 8 HB3 ALA 7 21.811 -1.997 1.442
57 H ASP 9 HN ASP 8 24.499 -1.950 2.273
58 HA ASP 9 HA ASP 8 24.705 -4.375 3.770
59 HB2 ASP 9 HB2 ASP 8 26.926 -3.089 2.175
60 HB3 ASP 9 HB1 ASP 8 26.721 -4.793 2.561
61 H DAL 10 HN DAL 9 25.578 -1.148 4.465
62 HA DAL 10 HA DAL 9 27.499 -2.027 6.516
63 HB1 DAL 10 HB1 DAL 9 26.433 -0.153 7.932
64 HB2 DAL 10 HB2 DAL 9 25.588 -1.694 7.788
65 HB3 DAL 10 HB3 DAL 9 25.067 -0.310 6.828
66 H GLY 11 HN GLY 10 27.607 -0.543 3.776
67 HA2 GLY 11 HA2 GLY 10 28.778 1.195 2.843
68 HA3 GLY 11 HA1 GLY 10 28.448 2.108 4.306
69 HA PRO 12 HA PRO 11 32.954 1.860 4.563
70 HB2 PRO 12 HB2 PRO 11 32.494 3.425 7.027
71 HB3 PRO 12 HB1 PRO 11 33.490 3.807 5.619
72 HG2 PRO 12 HG2 PRO 11 31.184 5.085 6.084
73 HG3 PRO 12 HG1 PRO 11 31.716 4.697 4.437
74 HD2 PRO 12 HD2 PRO 11 29.669 3.329 6.140
75 HD3 PRO 12 HD1 PRO 11 29.632 3.691 4.402
76 H ALA 13 HN ALA 12 30.611 1.039 7.049
77 HA ALA 13 HA ALA 12 32.438 -0.067 8.917
78 HB1 ALA 13 HB1 ALA 12 30.391 0.515 9.837
79 HB2 ALA 13 HB2 ALA 12 30.304 -1.244 9.755
80 HB3 ALA 13 HB3 ALA 12 29.474 -0.262 8.547
81 H SER 14 HN SER 13 30.583 -1.474 6.234
82 HA SER 14 HA SER 13 31.195 -4.176 6.823
83 HB2 SER 14 HB2 SER 13 30.454 -4.649 4.524
84 HB3 SER 14 HB1 SER 13 29.334 -3.568 5.349
85 HG SER 14 HG SER 13 31.090 -3.049 3.238
86 H DAL 15 HN DAL 14 32.992 -1.654 5.231
87 HA DAL 15 HA DAL 14 35.302 -3.397 5.052
88 HB1 DAL 15 HB1 DAL 14 36.533 -1.356 4.491
89 HB2 DAL 15 HB2 DAL 14 35.577 -1.153 5.959
90 HB3 DAL 15 HB3 DAL 14 35.016 -0.457 4.439
91 H NVA 16 HN NVA 15 33.174 -1.597 2.874
92 HA NVA 16 HA NVA 15 34.505 -2.868 0.577
93 HB2 NVA 16 HB1 NVA 15 31.526 -2.566 1.005
94 HB3 NVA 16 HB2 NVA 15 32.429 -4.070 1.086
95 HG2 NVA 16 HG1 NVA 15 33.069 -3.688 -1.320
96 HG3 NVA 16 HG2 NVA 15 31.884 -2.375 -1.336
97 HD1 NVA 16 HD1 NVA 15 31.038 -4.561 -2.198
98 HD2 NVA 16 HD2 NVA 15 30.103 -3.888 -0.863
99 HD3 NVA 16 HD3 NVA 15 31.232 -5.212 -0.570
100 HA PRO 17 HA PRO 16 34.701 1.294 -0.937
101 HB2 PRO 17 HB2 PRO 16 35.203 0.757 -3.560
102 HB3 PRO 17 HB1 PRO 16 36.422 0.621 -2.289
103 HG2 PRO 17 HG2 PRO 16 34.783 -1.521 -3.579
104 HG3 PRO 17 HG1 PRO 16 36.499 -1.537 -3.135
105 HD2 PRO 17 HD2 PRO 16 34.593 -2.738 -1.635
106 HD3 PRO 17 HD1 PRO 16 36.056 -2.025 -0.930
107 HA PRO 18 HA PRO 17 30.406 1.912 -2.119
108 HB2 PRO 18 HB2 PRO 17 30.806 4.595 -2.766
109 HB3 PRO 18 HB1 PRO 17 30.373 3.977 -1.170
110 HG2 PRO 18 HG2 PRO 17 33.050 4.738 -2.246
111 HG3 PRO 18 HG1 PRO 17 32.376 4.990 -0.625
112 HD2 PRO 18 HD2 PRO 17 34.158 3.057 -1.087
113 HD3 PRO 18 HD1 PRO 17 32.794 2.794 0.022
114 HA PRO 19 HA PRO 18 30.847 1.612 -6.547
115 HB2 PRO 19 HB2 PRO 18 28.257 1.312 -7.180
116 HB3 PRO 19 HB1 PRO 18 29.158 0.048 -6.336
117 HG2 PRO 19 HG2 PRO 18 27.220 2.044 -5.250
118 HG3 PRO 19 HG1 PRO 18 27.428 0.336 -4.825
119 HD2 PRO 19 HD2 PRO 18 28.441 2.463 -3.374
120 HD3 PRO 19 HD1 PRO 18 29.058 0.803 -3.303
121 H SER 20 HN SER 19 31.475 3.460 -7.522
122 HA SER 20 HA SER 19 29.418 5.362 -8.307
123 HB2 SER 20 HB2 SER 19 31.851 6.128 -6.687
124 HB3 SER 20 HB1 SER 19 30.953 7.292 -7.661
125 HG SER 20 HG SER 19 29.282 7.158 -6.317
126 HN1 NH2 21 H2 SER 19 30.161 3.871 -10.172
127 HN2 NH2 21 H1 SER 19 31.420 4.498 -11.173
Start of MODEL 11
1 H1 ACE 1 HA2 ALA 1 20.103 3.288 -7.358
2 H2 ACE 1 HA3 ALA 1 20.051 2.620 -5.721
3 H3 ACE 1 HA1 ALA 1 20.092 1.535 -7.119
4 H ALA 2 HN ALA 1 21.955 0.497 -6.373
5 HA ALA 2 HA ALA 1 24.183 0.060 -6.431
6 HB1 ALA 2 HB2 ALA 1 23.915 2.200 -8.256
7 HB2 ALA 2 HB3 ALA 1 25.201 0.998 -8.160
8 HB3 ALA 2 HB1 ALA 1 25.349 2.519 -7.280
9 H TYR 3 HN TYR 2 24.142 3.563 -5.688
10 HA TYR 3 HA TYR 2 26.003 3.291 -3.560
11 HB2 TYR 3 HB2 TYR 2 25.595 5.377 -4.933
12 HB3 TYR 3 HB1 TYR 2 24.118 5.610 -4.003
13 HD1 TYR 3 HD1 TYR 2 27.760 5.792 -3.961
14 HD2 TYR 3 HD2 TYR 2 24.227 6.190 -1.622
15 HE1 TYR 3 HE1 TYR 2 29.049 6.962 -2.225
16 HE2 TYR 3 HE2 TYR 2 25.509 7.362 0.120
17 HH TYR 3 HH TYR 2 28.739 7.295 0.390
18 H ALA 4 HN ALA 3 22.471 3.614 -3.685
19 HA ALA 4 HA ALA 3 22.017 3.829 -0.918
20 HB1 ALA 4 HB1 ALA 3 20.288 4.369 -2.521
21 HB2 ALA 4 HB2 ALA 3 19.718 3.102 -1.434
22 HB3 ALA 4 HB3 ALA 3 20.235 2.694 -3.070
23 H GLN 5 HN GLN 4 22.287 1.014 -3.056
24 HA GLN 5 HA GLN 4 21.630 -0.952 -1.131
25 HB2 GLN 5 HB2 GLN 4 21.834 -1.148 -3.716
26 HB3 GLN 5 HB1 GLN 4 23.538 -1.444 -3.402
27 HG2 GLN 5 HG2 GLN 4 22.728 -3.577 -3.479
28 HG3 GLN 5 HG1 GLN 4 22.631 -3.245 -1.751
29 HE21 GLN 5 HE21 GLN 4 20.594 -2.835 -0.816
30 HE22 GLN 5 HE22 GLN 4 19.134 -3.323 -1.597
31 H TRP 6 HN TRP 5 24.662 0.592 -2.071
32 HA TRP 6 HA TRP 5 26.482 -1.014 -0.702
33 HB2 TRP 6 HB2 TRP 5 27.313 0.625 -2.231
34 HB3 TRP 6 HB1 TRP 5 26.519 1.933 -1.367
35 HD1 TRP 6 HD1 TRP 5 29.356 -0.638 -0.712
36 HE1 TRP 6 HE1 TRP 5 31.124 0.500 0.766
37 HE3 TRP 6 HE3 TRP 5 27.033 3.858 0.023
38 HZ2 TRP 6 HZ2 TRP 5 31.491 2.971 2.072
39 HZ3 TRP 6 HZ3 TRP 5 28.166 5.556 1.401
40 HH2 TRP 6 HH2 TRP 5 30.347 5.118 2.403
41 H LEU 7 HN LEU 6 24.605 1.783 0.425
42 HA LEU 7 HA LEU 6 25.709 1.909 3.023
43 HB2 LEU 7 HB2 LEU 6 23.058 2.832 1.921
44 HB3 LEU 7 HB1 LEU 6 23.569 3.146 3.569
45 HG LEU 7 HG LEU 6 25.060 4.086 1.118
46 HD11 LEU 7 HD11 LEU 6 23.227 5.429 0.988
47 HD12 LEU 7 HD12 LEU 6 24.163 6.345 2.169
48 HD13 LEU 7 HD13 LEU 6 22.860 5.286 2.707
49 HD21 LEU 7 HD21 LEU 6 26.501 3.824 3.048
50 HD22 LEU 7 HD22 LEU 6 25.368 4.732 4.049
51 HD23 LEU 7 HD23 LEU 6 26.226 5.538 2.736
52 H ALA 8 HN ALA 7 23.007 0.101 1.651
53 HA ALA 8 HA ALA 7 21.833 -0.805 4.030
54 HB1 ALA 8 HB1 ALA 7 20.421 -1.336 2.367
55 HB2 ALA 8 HB2 ALA 7 21.329 -2.846 2.314
56 HB3 ALA 8 HB3 ALA 7 21.718 -1.545 1.191
57 H ASP 9 HN ASP 8 24.581 -2.041 2.184
58 HA ASP 9 HA ASP 8 24.806 -4.483 3.652
59 HB2 ASP 9 HB2 ASP 8 27.066 -3.176 2.140
60 HB3 ASP 9 HB1 ASP 8 26.796 -4.888 2.436
61 H DAL 10 HN DAL 9 25.629 -1.252 4.392
62 HA DAL 10 HA DAL 9 27.515 -2.129 6.476
63 HB1 DAL 10 HB1 DAL 9 25.008 -0.558 6.726
64 HB2 DAL 10 HB2 DAL 9 26.362 -0.133 7.771
65 HB3 DAL 10 HB3 DAL 9 25.701 -1.767 7.806
66 H GLY 11 HN GLY 10 27.644 -0.613 3.736
67 HA2 GLY 11 HA2 GLY 10 28.810 1.145 2.834
68 HA3 GLY 11 HA1 GLY 10 28.516 2.020 4.327
69 HA PRO 12 HA PRO 11 33.027 1.695 4.478
70 HB2 PRO 12 HB2 PRO 11 32.641 3.256 6.958
71 HB3 PRO 12 HB1 PRO 11 33.617 3.628 5.534
72 HG2 PRO 12 HG2 PRO 11 31.343 4.943 6.050
73 HG3 PRO 12 HG1 PRO 11 31.839 4.559 4.391
74 HD2 PRO 12 HD2 PRO 11 29.796 3.218 6.118
75 HD3 PRO 12 HD1 PRO 11 29.738 3.590 4.383
76 H ALA 13 HN ALA 12 30.716 0.915 7.005
77 HA ALA 13 HA ALA 12 32.547 -0.227 8.840
78 HB1 ALA 13 HB1 ALA 12 29.587 -0.268 8.518
79 HB2 ALA 13 HB2 ALA 12 30.570 0.312 9.862
80 HB3 ALA 13 HB3 ALA 12 30.345 -1.420 9.618
81 H SER 14 HN SER 13 30.607 -1.621 6.208
82 HA SER 14 HA SER 13 31.301 -4.317 6.802
83 HB2 SER 14 HB2 SER 13 30.405 -4.802 4.522
84 HB3 SER 14 HB1 SER 13 29.301 -3.870 5.530
85 HG SER 14 HG SER 13 30.407 -3.218 3.156
86 H DAL 15 HN DAL 14 32.915 -1.769 5.078
87 HA DAL 15 HA DAL 14 35.100 -3.632 4.457
88 HB1 DAL 15 HB1 DAL 14 36.566 -1.730 4.479
89 HB2 DAL 15 HB2 DAL 14 35.573 -1.697 5.936
90 HB3 DAL 15 HB3 DAL 14 35.198 -0.623 4.589
91 H NVA 16 HN NVA 15 32.683 -3.258 2.748
92 HA NVA 16 HA NVA 15 33.927 -3.274 0.233
93 HB2 NVA 16 HB1 NVA 15 31.016 -2.893 0.965
94 HB3 NVA 16 HB2 NVA 15 31.816 -4.420 0.617
95 HG2 NVA 16 HG1 NVA 15 32.232 -3.611 -1.697
96 HG3 NVA 16 HG2 NVA 15 31.265 -2.181 -1.320
97 HD1 NVA 16 HD1 NVA 15 29.414 -3.803 -0.679
98 HD2 NVA 16 HD2 NVA 15 30.382 -5.046 -1.474
99 HD3 NVA 16 HD3 NVA 15 29.794 -3.661 -2.396
100 HA PRO 17 HA PRO 16 34.207 1.107 -0.511
101 HB2 PRO 17 HB2 PRO 16 34.996 1.042 -3.080
102 HB3 PRO 17 HB1 PRO 16 36.063 0.540 -1.764
103 HG2 PRO 17 HG2 PRO 16 34.437 -1.144 -3.628
104 HG3 PRO 17 HG1 PRO 16 36.102 -1.383 -3.069
105 HD2 PRO 17 HD2 PRO 16 33.947 -2.693 -2.011
106 HD3 PRO 17 HD1 PRO 16 35.433 -2.352 -1.104
107 HA PRO 18 HA PRO 17 30.185 2.134 -2.138
108 HB2 PRO 18 HB2 PRO 17 30.692 4.793 -2.640
109 HB3 PRO 18 HB1 PRO 17 30.264 4.141 -1.056
110 HG2 PRO 18 HG2 PRO 17 32.956 4.821 -2.162
111 HG3 PRO 18 HG1 PRO 17 32.308 5.106 -0.535
112 HD2 PRO 18 HD2 PRO 17 34.000 3.085 -1.036
113 HD3 PRO 18 HD1 PRO 17 32.668 2.913 0.127
114 HA PRO 19 HA PRO 18 30.925 1.848 -6.526
115 HB2 PRO 19 HB2 PRO 18 28.356 1.890 -7.351
116 HB3 PRO 19 HB1 PRO 18 29.066 0.487 -6.544
117 HG2 PRO 19 HG2 PRO 18 27.312 2.634 -5.419
118 HG3 PRO 19 HG1 PRO 18 27.263 0.885 -5.135
119 HD2 PRO 19 HD2 PRO 18 28.406 2.665 -3.405
120 HD3 PRO 19 HD1 PRO 18 28.918 0.973 -3.551
121 H SER 20 HN SER 19 31.908 3.739 -7.145
122 HA SER 20 HA SER 19 30.213 5.752 -8.334
123 HB2 SER 20 HB2 SER 19 31.427 7.632 -7.126
124 HB3 SER 20 HB1 SER 19 30.273 6.721 -6.153
125 HG SER 20 HG SER 19 32.432 7.145 -5.216
126 HN1 NH2 21 H2 SER 19 31.563 4.301 -9.902
127 HN2 NH2 21 H1 SER 19 33.055 4.992 -10.432
Start of MODEL 12
1 H1 ACE 1 HA2 ALA 1 19.475 1.257 -6.459
2 H2 ACE 1 HA3 ALA 1 20.394 2.178 -7.658
3 H3 ACE 1 HA1 ALA 1 20.158 2.832 -6.031
4 H ALA 2 HN ALA 1 22.607 2.123 -7.639
5 HA ALA 2 HA ALA 1 23.833 -0.133 -6.422
6 HB1 ALA 2 HB2 ALA 1 25.903 0.689 -7.418
7 HB2 ALA 2 HB3 ALA 1 25.121 2.226 -7.792
8 HB3 ALA 2 HB1 ALA 1 24.576 0.743 -8.577
9 H TYR 3 HN TYR 2 24.274 3.375 -5.892
10 HA TYR 3 HA TYR 2 26.043 3.102 -3.709
11 HB2 TYR 3 HB2 TYR 2 25.713 5.182 -5.085
12 HB3 TYR 3 HB1 TYR 2 24.191 5.433 -4.236
13 HD1 TYR 3 HD1 TYR 2 27.826 5.610 -4.007
14 HD2 TYR 3 HD2 TYR 2 24.179 6.023 -1.852
15 HE1 TYR 3 HE1 TYR 2 29.025 6.788 -2.214
16 HE2 TYR 3 HE2 TYR 2 25.373 7.206 -0.056
17 HH TYR 3 HH TYR 2 27.941 8.670 -0.199
18 H ALA 4 HN ALA 3 22.517 3.374 -3.891
19 HA ALA 4 HA ALA 3 22.000 3.702 -1.151
20 HB1 ALA 4 HB1 ALA 3 20.269 4.130 -2.739
21 HB2 ALA 4 HB2 ALA 3 19.735 2.805 -1.706
22 HB3 ALA 4 HB3 ALA 3 20.326 2.471 -3.334
23 H GLN 5 HN GLN 4 22.366 0.780 -3.130
24 HA GLN 5 HA GLN 4 21.724 -1.087 -1.105
25 HB2 GLN 5 HB2 GLN 4 22.274 -1.239 -3.793
26 HB3 GLN 5 HB1 GLN 4 23.702 -1.981 -3.086
27 HG2 GLN 5 HG2 GLN 4 21.227 -2.934 -1.893
28 HG3 GLN 5 HG1 GLN 4 21.316 -3.229 -3.628
29 HE21 GLN 5 HE21 GLN 4 22.954 -3.748 -0.560
30 HE22 GLN 5 HE22 GLN 4 23.830 -5.152 -1.055
31 H TRP 6 HN TRP 5 24.728 0.484 -2.067
32 HA TRP 6 HA TRP 5 26.577 -1.028 -0.635
33 HB2 TRP 6 HB2 TRP 5 27.359 0.605 -2.204
34 HB3 TRP 6 HB1 TRP 5 26.542 1.909 -1.355
35 HD1 TRP 6 HD1 TRP 5 29.441 -0.591 -0.691
36 HE1 TRP 6 HE1 TRP 5 31.192 0.604 0.761
37 HE3 TRP 6 HE3 TRP 5 27.018 3.858 0.024
38 HZ2 TRP 6 HZ2 TRP 5 31.513 3.087 2.042
39 HZ3 TRP 6 HZ3 TRP 5 28.124 5.592 1.378
40 HH2 TRP 6 HH2 TRP 5 30.324 5.210 2.365
41 H LEU 7 HN LEU 6 24.609 1.739 0.407
42 HA LEU 7 HA LEU 6 25.681 1.948 3.015
43 HB2 LEU 7 HB2 LEU 6 23.043 2.799 1.835
44 HB3 LEU 7 HB1 LEU 6 23.480 3.127 3.500
45 HG LEU 7 HG LEU 6 25.014 4.110 1.093
46 HD11 LEU 7 HD11 LEU 6 22.824 5.294 2.731
47 HD12 LEU 7 HD12 LEU 6 23.107 5.382 0.992
48 HD13 LEU 7 HD13 LEU 6 24.090 6.344 2.097
49 HD21 LEU 7 HD21 LEU 6 26.158 5.542 2.735
50 HD22 LEU 7 HD22 LEU 6 26.434 3.828 3.043
51 HD23 LEU 7 HD23 LEU 6 25.286 4.728 4.035
52 H ALA 8 HN ALA 7 23.067 0.023 1.641
53 HA ALA 8 HA ALA 7 21.872 -0.850 4.026
54 HB1 ALA 8 HB1 ALA 7 20.720 -2.416 2.734
55 HB2 ALA 8 HB2 ALA 7 22.030 -2.555 1.563
56 HB3 ALA 8 HB3 ALA 7 21.043 -1.094 1.612
57 H ASP 9 HN ASP 8 24.688 -2.049 2.259
58 HA ASP 9 HA ASP 8 24.960 -4.448 3.786
59 HB2 ASP 9 HB2 ASP 8 27.103 -3.032 2.186
60 HB3 ASP 9 HB1 ASP 8 27.097 -4.717 2.685
61 H DAL 10 HN DAL 9 25.656 -1.178 4.479
62 HA DAL 10 HA DAL 9 27.508 -1.959 6.632
63 HB1 DAL 10 HB1 DAL 9 25.185 -0.049 6.793
64 HB2 DAL 10 HB2 DAL 9 26.404 -0.248 8.052
65 HB3 DAL 10 HB3 DAL 9 25.354 -1.598 7.619
66 H GLY 11 HN GLY 10 27.637 -0.489 3.835
67 HA2 GLY 11 HA2 GLY 10 28.821 1.241 2.909
68 HA3 GLY 11 HA1 GLY 10 28.505 2.149 4.378
69 HA PRO 12 HA PRO 11 33.012 1.824 4.578
70 HB2 PRO 12 HB2 PRO 11 32.631 3.514 6.969
71 HB3 PRO 12 HB1 PRO 11 33.599 3.813 5.521
72 HG2 PRO 12 HG2 PRO 11 31.322 5.149 5.988
73 HG3 PRO 12 HG1 PRO 11 31.816 4.692 4.348
74 HD2 PRO 12 HD2 PRO 11 29.783 3.423 6.142
75 HD3 PRO 12 HD1 PRO 11 29.715 3.721 4.392
76 H ALA 13 HN ALA 12 30.672 1.150 7.106
77 HA ALA 13 HA ALA 12 32.494 0.115 9.022
78 HB1 ALA 13 HB1 ALA 12 30.148 0.931 9.466
79 HB2 ALA 13 HB2 ALA 12 30.603 -0.580 10.254
80 HB3 ALA 13 HB3 ALA 12 29.582 -0.607 8.817
81 H SER 14 HN SER 13 30.681 -1.374 6.369
82 HA SER 14 HA SER 13 31.293 -4.057 7.140
83 HB2 SER 14 HB2 SER 13 30.487 -4.633 4.838
84 HB3 SER 14 HB1 SER 13 29.347 -3.675 5.780
85 HG SER 14 HG SER 13 30.916 -2.922 3.578
86 H DAL 15 HN DAL 14 33.014 -1.611 5.397
87 HA DAL 15 HA DAL 14 35.276 -3.406 5.093
88 HB1 DAL 15 HB1 DAL 14 36.547 -1.408 4.548
89 HB2 DAL 15 HB2 DAL 14 35.607 -1.156 6.018
90 HB3 DAL 15 HB3 DAL 14 35.063 -0.456 4.493
91 H NVA 16 HN NVA 15 33.040 -1.577 3.067
92 HA NVA 16 HA NVA 15 34.202 -2.866 0.688
93 HB2 NVA 16 HB1 NVA 15 31.284 -2.398 1.334
94 HB3 NVA 16 HB2 NVA 15 32.102 -3.950 1.259
95 HG2 NVA 16 HG1 NVA 15 32.375 -2.463 -1.217
96 HG3 NVA 16 HG2 NVA 15 30.688 -2.745 -0.779
97 HD1 NVA 16 HD1 NVA 15 31.040 -5.103 -0.670
98 HD2 NVA 16 HD2 NVA 15 32.783 -4.904 -0.854
99 HD3 NVA 16 HD3 NVA 15 31.706 -4.527 -2.198
100 HA PRO 17 HA PRO 16 34.556 1.314 -0.772
101 HB2 PRO 17 HB2 PRO 16 35.118 0.795 -3.370
102 HB3 PRO 17 HB1 PRO 16 36.290 0.546 -2.072
103 HG2 PRO 17 HG2 PRO 16 34.541 -1.452 -3.451
104 HG3 PRO 17 HG1 PRO 16 36.251 -1.586 -2.998
105 HD2 PRO 17 HD2 PRO 16 34.251 -2.700 -1.540
106 HD3 PRO 17 HD1 PRO 16 35.759 -2.112 -0.812
107 HA PRO 18 HA PRO 17 30.336 2.082 -2.102
108 HB2 PRO 18 HB2 PRO 17 30.793 4.739 -2.746
109 HB3 PRO 18 HB1 PRO 17 30.379 4.143 -1.135
110 HG2 PRO 18 HG2 PRO 17 33.061 4.811 -2.277
111 HG3 PRO 18 HG1 PRO 17 32.415 5.144 -0.658
112 HD2 PRO 18 HD2 PRO 17 34.126 3.138 -1.064
113 HD3 PRO 18 HD1 PRO 17 32.765 2.959 0.064
114 HA PRO 19 HA PRO 18 30.887 1.631 -6.508
115 HB2 PRO 19 HB2 PRO 18 28.290 1.590 -7.227
116 HB3 PRO 19 HB1 PRO 18 29.055 0.237 -6.386
117 HG2 PRO 19 HG2 PRO 18 27.308 2.404 -5.293
118 HG3 PRO 19 HG1 PRO 18 27.304 0.670 -4.925
119 HD2 PRO 19 HD2 PRO 18 28.478 2.554 -3.331
120 HD3 PRO 19 HD1 PRO 18 29.012 0.863 -3.412
121 H SER 20 HN SER 19 31.008 2.933 -8.279
122 HA SER 20 HA SER 19 29.551 5.473 -8.288
123 HB2 SER 20 HB2 SER 19 32.533 5.141 -8.288
124 HB3 SER 20 HB1 SER 19 31.805 6.501 -9.142
125 HG SER 20 HG SER 19 31.809 5.914 -6.395
126 HN1 NH2 21 H2 SER 19 32.002 3.680 -10.167
127 HN2 NH2 21 H1 SER 19 31.190 3.831 -11.685
Start of MODEL 13
1 H1 ACE 1 HA2 ALA 1 19.155 1.404 -6.539
2 H2 ACE 1 HA3 ALA 1 20.177 2.125 -7.790
3 H3 ACE 1 HA1 ALA 1 19.965 2.947 -6.235
4 H ALA 2 HN ALA 1 22.319 1.716 -7.796
5 HA ALA 2 HA ALA 1 23.327 -0.455 -6.308
6 HB1 ALA 2 HB2 ALA 1 25.549 0.263 -7.267
7 HB2 ALA 2 HB3 ALA 1 24.693 1.611 -8.016
8 HB3 ALA 2 HB1 ALA 1 24.270 -0.047 -8.440
9 H TYR 3 HN TYR 2 23.902 3.048 -6.017
10 HA TYR 3 HA TYR 2 25.743 2.907 -3.893
11 HB2 TYR 3 HB2 TYR 2 25.301 4.913 -5.355
12 HB3 TYR 3 HB1 TYR 2 23.827 5.181 -4.431
13 HD1 TYR 3 HD1 TYR 2 27.448 5.487 -4.465
14 HD2 TYR 3 HD2 TYR 2 23.963 5.820 -2.045
15 HE1 TYR 3 HE1 TYR 2 28.731 6.768 -2.805
16 HE2 TYR 3 HE2 TYR 2 25.239 7.103 -0.379
17 HH TYR 3 HH TYR 2 28.475 7.183 -0.195
18 H ALA 4 HN ALA 3 22.209 3.169 -3.928
19 HA ALA 4 HA ALA 3 21.808 3.584 -1.184
20 HB1 ALA 4 HB1 ALA 3 20.036 3.897 -2.816
21 HB2 ALA 4 HB2 ALA 3 19.532 2.755 -1.571
22 HB3 ALA 4 HB3 ALA 3 20.022 2.166 -3.159
23 H GLN 5 HN GLN 4 22.205 0.605 -3.056
24 HA GLN 5 HA GLN 4 21.627 -1.202 -0.959
25 HB2 GLN 5 HB2 GLN 4 22.701 -1.345 -3.674
26 HB3 GLN 5 HB1 GLN 4 23.422 -2.532 -2.597
27 HG2 GLN 5 HG2 GLN 4 21.547 -3.750 -2.473
28 HG3 GLN 5 HG1 GLN 4 20.505 -2.332 -2.404
29 HE21 GLN 5 HE21 GLN 4 20.048 -4.721 -3.904
30 HE22 GLN 5 HE22 GLN 4 19.999 -4.278 -5.573
31 H TRP 6 HN TRP 5 24.602 0.375 -2.030
32 HA TRP 6 HA TRP 5 26.482 -1.031 -0.539
33 HB2 TRP 6 HB2 TRP 5 27.205 0.557 -2.193
34 HB3 TRP 6 HB1 TRP 5 26.398 1.879 -1.362
35 HD1 TRP 6 HD1 TRP 5 29.327 -0.583 -0.687
36 HE1 TRP 6 HE1 TRP 5 31.099 0.664 0.694
37 HE3 TRP 6 HE3 TRP 5 26.889 3.868 -0.062
38 HZ2 TRP 6 HZ2 TRP 5 31.427 3.195 1.891
39 HZ3 TRP 6 HZ3 TRP 5 28.006 5.652 1.214
40 HH2 TRP 6 HH2 TRP 5 30.226 5.318 2.170
41 H LEU 7 HN LEU 6 24.488 1.761 0.400
42 HA LEU 7 HA LEU 6 25.574 2.077 2.992
43 HB2 LEU 7 HB2 LEU 6 22.924 2.874 1.799
44 HB3 LEU 7 HB1 LEU 6 23.377 3.270 3.446
45 HG LEU 7 HG LEU 6 24.903 4.148 0.995
46 HD11 LEU 7 HD11 LEU 6 22.989 5.402 0.823
47 HD12 LEU 7 HD12 LEU 6 23.970 6.426 1.874
48 HD13 LEU 7 HD13 LEU 6 22.706 5.409 2.564
49 HD21 LEU 7 HD21 LEU 6 25.158 4.910 3.903
50 HD22 LEU 7 HD22 LEU 6 26.036 5.660 2.569
51 HD23 LEU 7 HD23 LEU 6 26.311 3.963 2.963
52 H ALA 8 HN ALA 7 22.895 0.149 1.729
53 HA ALA 8 HA ALA 7 21.763 -0.659 4.163
54 HB1 ALA 8 HB1 ALA 7 20.593 -0.988 2.083
55 HB2 ALA 8 HB2 ALA 7 20.825 -2.550 2.868
56 HB3 ALA 8 HB3 ALA 7 21.847 -2.087 1.509
57 H ASP 9 HN ASP 8 24.526 -1.918 2.362
58 HA ASP 9 HA ASP 8 24.814 -4.289 3.927
59 HB2 ASP 9 HB2 ASP 8 26.997 -2.964 2.313
60 HB3 ASP 9 HB1 ASP 8 26.853 -4.662 2.746
61 H DAL 10 HN DAL 9 25.558 -1.013 4.539
62 HA DAL 10 HA DAL 9 27.467 -1.770 6.649
63 HB1 DAL 10 HB1 DAL 9 26.343 -0.587 8.262
64 HB2 DAL 10 HB2 DAL 9 24.998 -1.197 7.298
65 HB3 DAL 10 HB3 DAL 9 25.546 0.466 7.092
66 H GLY 11 HN GLY 10 27.554 -0.356 3.841
67 HA2 GLY 11 HA2 GLY 10 28.707 1.370 2.864
68 HA3 GLY 11 HA1 GLY 10 28.401 2.304 4.319
69 HA PRO 12 HA PRO 11 32.914 2.052 4.479
70 HB2 PRO 12 HB2 PRO 11 32.507 3.707 6.895
71 HB3 PRO 12 HB1 PRO 11 33.477 4.034 5.456
72 HG2 PRO 12 HG2 PRO 11 31.182 5.333 5.922
73 HG3 PRO 12 HG1 PRO 11 31.683 4.891 4.279
74 HD2 PRO 12 HD2 PRO 11 29.663 3.588 6.064
75 HD3 PRO 12 HD1 PRO 11 29.598 3.890 4.314
76 H ALA 13 HN ALA 12 30.622 1.335 7.045
77 HA ALA 13 HA ALA 12 32.478 0.294 8.918
78 HB1 ALA 13 HB1 ALA 12 30.424 0.920 9.822
79 HB2 ALA 13 HB2 ALA 12 30.377 -0.843 9.851
80 HB3 ALA 13 HB3 ALA 12 29.508 0.042 8.598
81 H SER 14 HN SER 13 30.608 -1.200 6.301
82 HA SER 14 HA SER 13 31.218 -3.884 6.970
83 HB2 SER 14 HB2 SER 13 30.420 -4.442 4.733
84 HB3 SER 14 HB1 SER 13 29.350 -3.254 5.474
85 HG SER 14 HG SER 13 30.011 -1.763 4.083
86 H DAL 15 HN DAL 14 33.001 -1.414 5.280
87 HA DAL 15 HA DAL 14 35.295 -3.194 5.100
88 HB1 DAL 15 HB1 DAL 14 36.571 -1.183 4.587
89 HB2 DAL 15 HB2 DAL 14 35.584 -0.944 6.030
90 HB3 DAL 15 HB3 DAL 14 35.079 -0.246 4.491
91 H NVA 16 HN NVA 15 33.109 -1.416 2.984
92 HA NVA 16 HA NVA 15 34.418 -2.627 0.641
93 HB2 NVA 16 HB1 NVA 15 31.443 -2.372 1.140
94 HB3 NVA 16 HB2 NVA 15 32.369 -3.865 1.203
95 HG2 NVA 16 HG1 NVA 15 32.447 -2.284 -1.312
96 HG3 NVA 16 HG2 NVA 15 30.977 -3.184 -0.929
97 HD1 NVA 16 HD1 NVA 15 32.000 -4.912 -1.907
98 HD2 NVA 16 HD2 NVA 15 32.944 -5.019 -0.421
99 HD3 NVA 16 HD3 NVA 15 33.584 -4.144 -1.812
100 HA PRO 17 HA PRO 16 34.433 1.579 -0.797
101 HB2 PRO 17 HB2 PRO 16 35.076 1.121 -3.393
102 HB3 PRO 17 HB1 PRO 16 36.248 0.988 -2.076
103 HG2 PRO 17 HG2 PRO 16 34.732 -1.170 -3.490
104 HG3 PRO 17 HG1 PRO 16 36.433 -1.139 -2.989
105 HD2 PRO 17 HD2 PRO 16 34.502 -2.440 -1.589
106 HD3 PRO 17 HD1 PRO 16 35.935 -1.727 -0.823
107 HA PRO 18 HA PRO 17 30.196 2.034 -2.182
108 HB2 PRO 18 HB2 PRO 17 30.527 4.680 -2.994
109 HB3 PRO 18 HB1 PRO 17 30.077 4.153 -1.372
110 HG2 PRO 18 HG2 PRO 17 32.751 4.938 -2.438
111 HG3 PRO 18 HG1 PRO 17 32.034 5.261 -0.848
112 HD2 PRO 18 HD2 PRO 17 33.893 3.366 -1.169
113 HD3 PRO 18 HD1 PRO 17 32.527 3.133 -0.056
114 HA PRO 19 HA PRO 18 30.353 1.070 -6.505
115 HB2 PRO 19 HB2 PRO 18 27.854 2.701 -6.616
116 HB3 PRO 19 HB1 PRO 18 28.165 1.074 -7.231
117 HG2 PRO 19 HG2 PRO 18 26.773 1.430 -4.993
118 HG3 PRO 19 HG1 PRO 18 27.930 0.095 -5.142
119 HD2 PRO 19 HD2 PRO 18 28.178 2.657 -3.643
120 HD3 PRO 19 HD1 PRO 18 28.814 1.050 -3.247
121 H SER 20 HN SER 19 31.934 2.147 -7.549
122 HA SER 20 HA SER 19 31.290 4.626 -8.870
123 HB2 SER 20 HB2 SER 19 32.328 5.050 -6.444
124 HB3 SER 20 HB1 SER 19 33.834 4.798 -7.326
125 HG SER 20 HG SER 19 33.440 6.554 -8.537
126 HN1 NH2 21 H2 SER 19 32.303 4.749 -10.789
127 HN2 NH2 21 H1 SER 19 33.605 3.732 -11.295
Start of MODEL 14
1 H1 ACE 1 HA2 ALA 1 20.269 1.279 -6.749
2 H2 ACE 1 HA3 ALA 1 19.830 -0.344 -7.274
3 H3 ACE 1 HA1 ALA 1 20.255 0.909 -8.470
4 H ALA 2 HN ALA 1 22.307 1.700 -6.239
5 HA ALA 2 HA ALA 1 24.248 -0.433 -6.418
6 HB1 ALA 2 HB2 ALA 1 25.937 1.279 -7.430
7 HB2 ALA 2 HB3 ALA 1 24.483 2.052 -8.061
8 HB3 ALA 2 HB1 ALA 1 24.852 0.381 -8.490
9 H TYR 3 HN TYR 2 24.342 3.120 -5.972
10 HA TYR 3 HA TYR 2 26.126 2.982 -3.772
11 HB2 TYR 3 HB2 TYR 2 25.794 4.962 -5.306
12 HB3 TYR 3 HB1 TYR 2 24.291 5.285 -4.449
13 HD1 TYR 3 HD1 TYR 2 27.913 5.517 -4.346
14 HD2 TYR 3 HD2 TYR 2 24.346 5.966 -2.066
15 HE1 TYR 3 HE1 TYR 2 29.155 6.817 -2.670
16 HE2 TYR 3 HE2 TYR 2 25.584 7.266 -0.382
17 HH TYR 3 HH TYR 2 28.229 7.334 0.319
18 H ALA 4 HN ALA 3 22.604 3.329 -4.009
19 HA ALA 4 HA ALA 3 22.076 3.787 -1.290
20 HB1 ALA 4 HB1 ALA 3 20.339 2.440 -3.356
21 HB2 ALA 4 HB2 ALA 3 20.404 4.168 -3.009
22 HB3 ALA 4 HB3 ALA 3 19.790 3.047 -1.793
23 H GLN 5 HN GLN 4 22.399 0.782 -3.143
24 HA GLN 5 HA GLN 4 21.669 -0.982 -1.052
25 HB2 GLN 5 HB2 GLN 4 22.016 -1.366 -3.651
26 HB3 GLN 5 HB1 GLN 4 23.637 -1.816 -3.140
27 HG2 GLN 5 HG2 GLN 4 22.501 -3.831 -3.181
28 HG3 GLN 5 HG1 GLN 4 22.468 -3.378 -1.478
29 HE21 GLN 5 HE21 GLN 4 20.698 -5.210 -2.628
30 HE22 GLN 5 HE22 GLN 4 19.104 -4.546 -2.570
31 H TRP 6 HN TRP 5 24.739 0.443 -2.053
32 HA TRP 6 HA TRP 5 26.514 -1.053 -0.518
33 HB2 TRP 6 HB2 TRP 5 27.373 0.477 -2.149
34 HB3 TRP 6 HB1 TRP 5 26.585 1.845 -1.375
35 HD1 TRP 6 HD1 TRP 5 29.390 -0.712 -0.552
36 HE1 TRP 6 HE1 TRP 5 31.155 0.490 0.881
37 HE3 TRP 6 HE3 TRP 5 27.094 3.833 -0.070
38 HZ2 TRP 6 HZ2 TRP 5 31.530 3.023 2.058
39 HZ3 TRP 6 HZ3 TRP 5 28.227 5.593 1.227
40 HH2 TRP 6 HH2 TRP 5 30.398 5.192 2.269
41 H LEU 7 HN LEU 6 24.612 1.814 0.365
42 HA LEU 7 HA LEU 6 25.660 2.119 2.976
43 HB2 LEU 7 HB2 LEU 6 23.055 2.985 1.731
44 HB3 LEU 7 HB1 LEU 6 23.502 3.393 3.376
45 HG LEU 7 HG LEU 6 25.093 4.178 0.935
46 HD11 LEU 7 HD11 LEU 6 23.219 5.480 0.688
47 HD12 LEU 7 HD12 LEU 6 24.199 6.500 1.742
48 HD13 LEU 7 HD13 LEU 6 22.892 5.530 2.420
49 HD21 LEU 7 HD21 LEU 6 26.458 4.014 2.933
50 HD22 LEU 7 HD22 LEU 6 25.303 4.997 3.831
51 HD23 LEU 7 HD23 LEU 6 26.219 5.708 2.503
52 H ALA 8 HN ALA 7 22.976 0.243 1.663
53 HA ALA 8 HA ALA 7 21.738 -0.498 4.068
54 HB1 ALA 8 HB1 ALA 7 20.490 -1.990 2.823
55 HB2 ALA 8 HB2 ALA 7 21.823 -2.359 1.730
56 HB3 ALA 8 HB3 ALA 7 20.981 -0.815 1.603
57 H ASP 9 HN ASP 8 24.527 -1.855 2.383
58 HA ASP 9 HA ASP 8 24.688 -4.213 3.992
59 HB2 ASP 9 HB2 ASP 8 26.989 -3.009 2.454
60 HB3 ASP 9 HB1 ASP 8 26.712 -4.698 2.858
61 H DAL 10 HN DAL 9 25.522 -0.950 4.567
62 HA DAL 10 HA DAL 9 27.345 -1.735 6.744
63 HB1 DAL 10 HB1 DAL 9 25.034 -1.208 7.532
64 HB2 DAL 10 HB2 DAL 9 25.270 0.439 6.944
65 HB3 DAL 10 HB3 DAL 9 26.296 -0.193 8.233
66 H GLY 11 HN GLY 10 27.508 -0.340 3.907
67 HA2 GLY 11 HA2 GLY 10 28.721 1.349 2.938
68 HA3 GLY 11 HA1 GLY 10 28.498 2.273 4.415
69 HA PRO 12 HA PRO 11 32.989 1.733 4.480
70 HB2 PRO 12 HB2 PRO 11 32.739 3.377 6.925
71 HB3 PRO 12 HB1 PRO 11 33.701 3.659 5.470
72 HG2 PRO 12 HG2 PRO 11 31.508 5.102 5.994
73 HG3 PRO 12 HG1 PRO 11 31.944 4.644 4.337
74 HD2 PRO 12 HD2 PRO 11 29.880 3.456 6.152
75 HD3 PRO 12 HD1 PRO 11 29.795 3.785 4.410
76 H ALA 13 HN ALA 12 30.706 1.137 7.089
77 HA ALA 13 HA ALA 12 32.524 -0.057 8.906
78 HB1 ALA 13 HB1 ALA 12 30.513 0.708 9.834
79 HB2 ALA 13 HB2 ALA 12 30.394 -1.050 9.891
80 HB3 ALA 13 HB3 ALA 12 29.535 -0.148 8.643
81 H SER 14 HN SER 13 30.524 -1.368 6.291
82 HA SER 14 HA SER 13 30.936 -4.099 6.905
83 HB2 SER 14 HB2 SER 13 30.061 -4.560 4.689
84 HB3 SER 14 HB1 SER 13 29.122 -3.261 5.422
85 HG SER 14 HG SER 13 29.679 -2.788 3.258
86 H DAL 15 HN DAL 14 32.896 -1.743 5.242
87 HA DAL 15 HA DAL 14 35.049 -3.688 5.029
88 HB1 DAL 15 HB1 DAL 14 35.033 -0.712 4.529
89 HB2 DAL 15 HB2 DAL 14 36.461 -1.746 4.507
90 HB3 DAL 15 HB3 DAL 14 35.558 -1.522 6.006
91 H NVA 16 HN NVA 15 32.980 -1.743 2.950
92 HA NVA 16 HA NVA 15 34.209 -3.002 0.587
93 HB2 NVA 16 HB1 NVA 15 31.273 -2.571 1.174
94 HB3 NVA 16 HB2 NVA 15 32.106 -4.113 1.043
95 HG2 NVA 16 HG1 NVA 15 32.515 -2.656 -1.373
96 HG3 NVA 16 HG2 NVA 15 30.792 -2.660 -0.986
97 HD1 NVA 16 HD1 NVA 15 32.574 -5.082 -1.178
98 HD2 NVA 16 HD2 NVA 15 31.375 -4.571 -2.367
99 HD3 NVA 16 HD3 NVA 15 30.860 -5.097 -0.764
100 HA PRO 17 HA PRO 16 34.600 1.210 -0.782
101 HB2 PRO 17 HB2 PRO 16 35.179 0.731 -3.393
102 HB3 PRO 17 HB1 PRO 16 36.347 0.498 -2.088
103 HG2 PRO 17 HG2 PRO 16 34.662 -1.525 -3.507
104 HG3 PRO 17 HG1 PRO 16 36.360 -1.632 -3.011
105 HD2 PRO 17 HD2 PRO 16 34.344 -2.793 -1.616
106 HD3 PRO 17 HD1 PRO 16 35.824 -2.190 -0.846
107 HA PRO 18 HA PRO 17 30.383 1.993 -2.135
108 HB2 PRO 18 HB2 PRO 17 30.864 4.665 -2.733
109 HB3 PRO 18 HB1 PRO 17 30.392 4.045 -1.149
110 HG2 PRO 18 HG2 PRO 17 33.106 4.742 -2.180
111 HG3 PRO 18 HG1 PRO 17 32.411 5.014 -0.572
112 HD2 PRO 18 HD2 PRO 17 34.147 3.031 -1.006
113 HD3 PRO 18 HD1 PRO 17 32.764 2.812 0.088
114 HA PRO 19 HA PRO 18 31.014 1.615 -6.537
115 HB2 PRO 19 HB2 PRO 18 28.426 1.539 -7.296
116 HB3 PRO 19 HB1 PRO 18 29.208 0.185 -6.474
117 HG2 PRO 19 HG2 PRO 18 27.397 2.286 -5.362
118 HG3 PRO 19 HG1 PRO 18 27.433 0.546 -5.026
119 HD2 PRO 19 HD2 PRO 18 28.537 2.434 -3.385
120 HD3 PRO 19 HD1 PRO 18 29.110 0.759 -3.480
121 H SER 20 HN SER 19 31.552 3.170 -7.924
122 HA SER 20 HA SER 19 29.765 5.391 -8.449
123 HB2 SER 20 HB2 SER 19 31.597 7.081 -8.083
124 HB3 SER 20 HB1 SER 19 30.986 6.338 -6.606
125 HG SER 20 HG SER 19 32.834 5.279 -6.347
126 HN1 NH2 21 H2 SER 19 30.107 6.349 -10.445
127 HN2 NH2 21 H1 SER 19 31.247 5.747 -11.595
Start of MODEL 15
1 H1 ACE 1 HA2 ALA 1 19.440 1.419 -6.390
2 H2 ACE 1 HA3 ALA 1 20.385 2.276 -7.616
3 H3 ACE 1 HA1 ALA 1 20.189 2.974 -6.001
4 H ALA 2 HN ALA 1 22.610 2.189 -7.570
5 HA ALA 2 HA ALA 1 23.753 -0.109 -6.334
6 HB1 ALA 2 HB2 ALA 1 24.395 1.278 -8.528
7 HB2 ALA 2 HB3 ALA 1 25.543 0.243 -7.679
8 HB3 ALA 2 HB1 ALA 1 25.553 1.984 -7.400
9 H TYR 3 HN TYR 2 24.246 3.393 -5.832
10 HA TYR 3 HA TYR 2 26.052 3.119 -3.677
11 HB2 TYR 3 HB2 TYR 2 25.690 5.192 -5.073
12 HB3 TYR 3 HB1 TYR 2 24.201 5.458 -4.173
13 HD1 TYR 3 HD1 TYR 2 27.841 5.618 -4.081
14 HD2 TYR 3 HD2 TYR 2 24.280 6.064 -1.792
15 HE1 TYR 3 HE1 TYR 2 29.112 6.808 -2.345
16 HE2 TYR 3 HE2 TYR 2 25.547 7.258 -0.051
17 HH TYR 3 HH TYR 2 28.790 7.191 0.241
18 H ALA 4 HN ALA 3 22.527 3.439 -3.814
19 HA ALA 4 HA ALA 3 22.059 3.754 -1.059
20 HB1 ALA 4 HB1 ALA 3 20.328 4.241 -2.646
21 HB2 ALA 4 HB2 ALA 3 19.764 2.953 -1.578
22 HB3 ALA 4 HB3 ALA 3 20.312 2.570 -3.212
23 H GLN 5 HN GLN 4 22.338 0.848 -3.077
24 HA GLN 5 HA GLN 4 21.661 -1.034 -1.082
25 HB2 GLN 5 HB2 GLN 4 22.282 -1.146 -3.775
26 HB3 GLN 5 HB1 GLN 4 23.642 -1.967 -3.025
27 HG2 GLN 5 HG2 GLN 4 22.215 -3.714 -3.374
28 HG3 GLN 5 HG1 GLN 4 21.783 -3.255 -1.728
29 HE21 GLN 5 HE21 GLN 4 19.678 -3.307 -1.405
30 HE22 GLN 5 HE22 GLN 4 18.458 -2.880 -2.552
31 H TRP 6 HN TRP 5 24.700 0.480 -2.023
32 HA TRP 6 HA TRP 5 26.501 -1.061 -0.554
33 HB2 TRP 6 HB2 TRP 5 27.316 0.520 -2.169
34 HB3 TRP 6 HB1 TRP 5 26.552 1.861 -1.326
35 HD1 TRP 6 HD1 TRP 5 29.379 -0.723 -0.663
36 HE1 TRP 6 HE1 TRP 5 31.181 0.437 0.759
37 HE3 TRP 6 HE3 TRP 5 27.093 3.798 0.024
38 HZ2 TRP 6 HZ2 TRP 5 31.584 2.931 2.007
39 HZ3 TRP 6 HZ3 TRP 5 28.258 5.518 1.346
40 HH2 TRP 6 HH2 TRP 5 30.457 5.090 2.316
41 H LEU 7 HN LEU 6 24.600 1.780 0.418
42 HA LEU 7 HA LEU 6 25.675 2.022 3.024
43 HB2 LEU 7 HB2 LEU 6 23.083 2.940 1.797
44 HB3 LEU 7 HB1 LEU 6 23.486 3.262 3.472
45 HG LEU 7 HG LEU 6 25.082 4.196 1.085
46 HD11 LEU 7 HD11 LEU 6 23.267 5.580 1.003
47 HD12 LEU 7 HD12 LEU 6 24.266 6.452 2.165
48 HD13 LEU 7 HD13 LEU 6 22.939 5.437 2.730
49 HD21 LEU 7 HD21 LEU 6 26.508 3.828 3.009
50 HD22 LEU 7 HD22 LEU 6 25.403 4.743 4.035
51 HD23 LEU 7 HD23 LEU 6 26.290 5.559 2.748
52 H ALA 8 HN ALA 7 22.977 0.172 1.702
53 HA ALA 8 HA ALA 7 21.753 -0.613 4.095
54 HB1 ALA 8 HB1 ALA 7 20.388 -1.214 2.412
55 HB2 ALA 8 HB2 ALA 7 21.268 -2.739 2.496
56 HB3 ALA 8 HB3 ALA 7 21.720 -1.525 1.299
57 H ASP 9 HN ASP 8 24.534 -1.958 2.379
58 HA ASP 9 HA ASP 8 24.721 -4.312 3.994
59 HB2 ASP 9 HB2 ASP 8 27.017 -3.125 2.444
60 HB3 ASP 9 HB1 ASP 8 26.704 -4.815 2.816
61 H DAL 10 HN DAL 9 25.551 -1.052 4.559
62 HA DAL 10 HA DAL 9 27.397 -1.831 6.719
63 HB1 DAL 10 HB1 DAL 9 25.937 0.572 7.344
64 HB2 DAL 10 HB2 DAL 9 26.071 -0.932 8.256
65 HB3 DAL 10 HB3 DAL 9 24.834 -0.763 7.010
66 H GLY 11 HN GLY 10 27.512 -0.435 3.854
67 HA2 GLY 11 HA2 GLY 10 28.771 1.199 2.854
68 HA3 GLY 11 HA1 GLY 10 28.563 2.152 4.314
69 HA PRO 12 HA PRO 11 33.045 1.579 4.422
70 HB2 PRO 12 HB2 PRO 11 32.782 3.171 6.900
71 HB3 PRO 12 HB1 PRO 11 33.758 3.480 5.462
72 HG2 PRO 12 HG2 PRO 11 31.568 4.923 5.995
73 HG3 PRO 12 HG1 PRO 11 32.017 4.496 4.333
74 HD2 PRO 12 HD2 PRO 11 29.930 3.284 6.104
75 HD3 PRO 12 HD1 PRO 11 29.865 3.647 4.366
76 H ALA 13 HN ALA 12 30.738 0.934 6.994
77 HA ALA 13 HA ALA 12 32.531 -0.305 8.805
78 HB1 ALA 13 HB1 ALA 12 29.544 -0.413 8.501
79 HB2 ALA 13 HB2 ALA 12 30.497 0.447 9.709
80 HB3 ALA 13 HB3 ALA 12 30.402 -1.313 9.752
81 H SER 14 HN SER 13 30.570 -1.553 6.132
82 HA SER 14 HA SER 13 31.000 -4.299 6.687
83 HB2 SER 14 HB2 SER 13 30.127 -4.715 4.457
84 HB3 SER 14 HB1 SER 13 29.168 -3.458 5.236
85 HG SER 14 HG SER 13 29.900 -2.017 3.848
86 H DAL 15 HN DAL 14 32.933 -1.880 5.092
87 HA DAL 15 HA DAL 14 35.109 -3.787 4.828
88 HB1 DAL 15 HB1 DAL 14 35.578 -1.620 5.830
89 HB2 DAL 15 HB2 DAL 14 35.045 -0.807 4.359
90 HB3 DAL 15 HB3 DAL 14 36.488 -1.820 4.333
91 H NVA 16 HN NVA 15 33.014 -1.835 2.778
92 HA NVA 16 HA NVA 15 34.251 -3.052 0.397
93 HB2 NVA 16 HB1 NVA 15 31.307 -2.620 0.947
94 HB3 NVA 16 HB2 NVA 15 32.134 -4.168 0.885
95 HG2 NVA 16 HG1 NVA 15 32.231 -2.408 -1.515
96 HG3 NVA 16 HG2 NVA 15 30.745 -3.294 -1.157
97 HD1 NVA 16 HD1 NVA 15 31.858 -5.382 -1.284
98 HD2 NVA 16 HD2 NVA 15 33.443 -4.609 -1.316
99 HD3 NVA 16 HD3 NVA 15 32.358 -4.453 -2.697
100 HA PRO 17 HA PRO 16 34.612 1.168 -0.948
101 HB2 PRO 17 HB2 PRO 16 35.103 0.723 -3.583
102 HB3 PRO 17 HB1 PRO 16 36.310 0.456 -2.320
103 HG2 PRO 17 HG2 PRO 16 34.545 -1.527 -3.703
104 HG3 PRO 17 HG1 PRO 16 36.265 -1.657 -3.288
105 HD2 PRO 17 HD2 PRO 16 34.317 -2.826 -1.816
106 HD3 PRO 17 HD1 PRO 16 35.823 -2.222 -1.098
107 HA PRO 18 HA PRO 17 30.358 1.979 -2.151
108 HB2 PRO 18 HB2 PRO 17 30.805 4.671 -2.659
109 HB3 PRO 18 HB1 PRO 17 30.390 3.988 -1.085
110 HG2 PRO 18 HG2 PRO 17 33.062 4.747 -2.179
111 HG3 PRO 18 HG1 PRO 17 32.420 4.951 -0.538
112 HD2 PRO 18 HD2 PRO 17 34.157 2.999 -1.118
113 HD3 PRO 18 HD1 PRO 17 32.823 2.733 0.026
114 HA PRO 19 HA PRO 18 30.838 1.803 -6.585
115 HB2 PRO 19 HB2 PRO 18 28.230 1.702 -7.254
116 HB3 PRO 19 HB1 PRO 18 29.060 0.337 -6.498
117 HG2 PRO 19 HG2 PRO 18 27.249 2.370 -5.267
118 HG3 PRO 19 HG1 PRO 18 27.332 0.623 -4.980
119 HD2 PRO 19 HD2 PRO 18 28.460 2.507 -3.336
120 HD3 PRO 19 HD1 PRO 18 29.036 0.835 -3.469
121 H SER 20 HN SER 19 31.680 3.757 -7.210
122 HA SER 20 HA SER 19 29.819 5.688 -8.280
123 HB2 SER 20 HB2 SER 19 31.082 7.598 -7.091
124 HB3 SER 20 HB1 SER 19 29.893 6.695 -6.153
125 HG SER 20 HG SER 19 31.453 5.819 -4.982
126 HN1 NH2 21 H2 SER 19 30.571 6.164 -10.225
127 HN2 NH2 21 H1 SER 19 32.233 6.242 -10.690
Start of MODEL 16
1 H1 ACE 1 HA2 ALA 1 19.721 0.097 -6.484
2 H2 ACE 1 HA3 ALA 1 20.461 1.111 -7.731
3 H3 ACE 1 HA1 ALA 1 20.270 1.732 -6.086
4 H ALA 2 HN ALA 1 22.727 1.855 -7.217
5 HA ALA 2 HA ALA 1 24.248 -0.465 -6.301
6 HB1 ALA 2 HB2 ALA 1 24.851 0.378 -8.471
7 HB2 ALA 2 HB3 ALA 1 26.180 0.682 -7.352
8 HB3 ALA 2 HB1 ALA 1 25.101 1.997 -7.818
9 H TYR 3 HN TYR 2 24.474 3.088 -5.913
10 HA TYR 3 HA TYR 2 26.211 2.939 -3.669
11 HB2 TYR 3 HB2 TYR 2 25.948 4.920 -5.216
12 HB3 TYR 3 HB1 TYR 2 24.421 5.261 -4.409
13 HD1 TYR 3 HD1 TYR 2 28.059 5.353 -4.129
14 HD2 TYR 3 HD2 TYR 2 24.389 6.057 -2.090
15 HE1 TYR 3 HE1 TYR 2 29.263 6.642 -2.416
16 HE2 TYR 3 HE2 TYR 2 25.589 7.348 -0.372
17 HH TYR 3 HH TYR 2 28.219 8.713 -0.589
18 H ALA 4 HN ALA 3 22.703 3.359 -4.005
19 HA ALA 4 HA ALA 3 22.106 3.831 -1.306
20 HB1 ALA 4 HB1 ALA 3 20.450 4.275 -2.960
21 HB2 ALA 4 HB2 ALA 3 19.818 3.010 -1.905
22 HB3 ALA 4 HB3 ALA 3 20.450 2.595 -3.499
23 H GLN 5 HN GLN 4 22.403 0.796 -3.128
24 HA GLN 5 HA GLN 4 21.595 -0.918 -1.021
25 HB2 GLN 5 HB2 GLN 4 21.689 -1.578 -3.426
26 HB3 GLN 5 HB1 GLN 4 23.444 -1.560 -3.329
27 HG2 GLN 5 HG2 GLN 4 22.610 -3.819 -3.162
28 HG3 GLN 5 HG1 GLN 4 23.370 -3.334 -1.647
29 HE21 GLN 5 HE21 GLN 4 22.191 -3.336 0.196
30 HE22 GLN 5 HE22 GLN 4 20.527 -3.788 0.286
31 H TRP 6 HN TRP 5 24.715 0.400 -2.017
32 HA TRP 6 HA TRP 5 26.429 -1.115 -0.438
33 HB2 TRP 6 HB2 TRP 5 27.371 0.349 -2.069
34 HB3 TRP 6 HB1 TRP 5 26.584 1.755 -1.366
35 HD1 TRP 6 HD1 TRP 5 29.310 -0.820 -0.348
36 HE1 TRP 6 HE1 TRP 5 31.049 0.403 1.094
37 HE3 TRP 6 HE3 TRP 5 27.102 3.787 -0.147
38 HZ2 TRP 6 HZ2 TRP 5 31.439 2.977 2.176
39 HZ3 TRP 6 HZ3 TRP 5 28.228 5.578 1.113
40 HH2 TRP 6 HH2 TRP 5 30.354 5.176 2.248
41 H LEU 7 HN LEU 6 24.583 1.802 0.385
42 HA LEU 7 HA LEU 6 25.624 2.134 2.993
43 HB2 LEU 7 HB2 LEU 6 23.024 3.019 1.747
44 HB3 LEU 7 HB1 LEU 6 23.515 3.474 3.367
45 HG LEU 7 HG LEU 6 25.086 4.136 0.875
46 HD11 LEU 7 HD11 LEU 6 24.181 6.504 1.759
47 HD12 LEU 7 HD12 LEU 6 22.817 5.476 2.198
48 HD13 LEU 7 HD13 LEU 6 23.363 5.547 0.522
49 HD21 LEU 7 HD21 LEU 6 26.240 5.716 2.371
50 HD22 LEU 7 HD22 LEU 6 26.461 4.039 2.871
51 HD23 LEU 7 HD23 LEU 6 25.324 5.074 3.734
52 H ALA 8 HN ALA 7 22.855 0.333 1.724
53 HA ALA 8 HA ALA 7 21.651 -0.359 4.161
54 HB1 ALA 8 HB1 ALA 7 20.257 -0.847 2.431
55 HB2 ALA 8 HB2 ALA 7 20.947 -2.451 2.681
56 HB3 ALA 8 HB3 ALA 7 21.562 -1.417 1.391
57 H ASP 9 HN ASP 8 24.357 -1.801 2.421
58 HA ASP 9 HA ASP 8 24.485 -4.164 4.025
59 HB2 ASP 9 HB2 ASP 8 26.774 -3.014 2.428
60 HB3 ASP 9 HB1 ASP 8 26.483 -4.694 2.854
61 H DAL 10 HN DAL 9 25.428 -0.928 4.591
62 HA DAL 10 HA DAL 9 27.295 -1.769 6.708
63 HB1 DAL 10 HB1 DAL 9 25.149 0.334 6.963
64 HB2 DAL 10 HB2 DAL 9 26.319 -0.114 8.204
65 HB3 DAL 10 HB3 DAL 9 25.104 -1.277 7.677
66 H GLY 11 HN GLY 10 27.449 -0.383 3.899
67 HA2 GLY 11 HA2 GLY 10 28.656 1.302 2.912
68 HA3 GLY 11 HA1 GLY 10 28.428 2.240 4.379
69 HA PRO 12 HA PRO 11 32.919 1.748 4.506
70 HB2 PRO 12 HB2 PRO 11 32.608 3.284 7.014
71 HB3 PRO 12 HB1 PRO 11 33.591 3.639 5.591
72 HG2 PRO 12 HG2 PRO 11 31.370 5.032 6.133
73 HG3 PRO 12 HG1 PRO 11 31.843 4.647 4.467
74 HD2 PRO 12 HD2 PRO 11 29.760 3.365 6.193
75 HD3 PRO 12 HD1 PRO 11 29.706 3.757 4.461
76 H ALA 13 HN ALA 12 30.606 1.008 7.044
77 HA ALA 13 HA ALA 12 32.400 -0.231 8.852
78 HB1 ALA 13 HB1 ALA 12 30.374 0.388 9.802
79 HB2 ALA 13 HB2 ALA 12 30.230 -1.364 9.665
80 HB3 ALA 13 HB3 ALA 12 29.428 -0.320 8.492
81 H SER 14 HN SER 13 30.499 -1.473 6.128
82 HA SER 14 HA SER 13 31.021 -4.216 6.623
83 HB2 SER 14 HB2 SER 13 30.160 -4.618 4.393
84 HB3 SER 14 HB1 SER 13 29.167 -3.391 5.180
85 HG SER 14 HG SER 13 29.563 -2.350 3.383
86 H DAL 15 HN DAL 14 32.870 -1.692 5.092
87 HA DAL 15 HA DAL 14 35.153 -3.451 4.881
88 HB1 DAL 15 HB1 DAL 14 34.822 -0.513 4.291
89 HB2 DAL 15 HB2 DAL 14 36.349 -1.386 4.171
90 HB3 DAL 15 HB3 DAL 14 35.537 -1.240 5.730
91 H NVA 16 HN NVA 15 32.997 -1.719 2.673
92 HA NVA 16 HA NVA 15 34.286 -3.088 0.407
93 HB2 NVA 16 HB1 NVA 15 31.353 -2.769 1.023
94 HB3 NVA 16 HB2 NVA 15 32.256 -4.261 0.813
95 HG2 NVA 16 HG1 NVA 15 32.645 -3.477 -1.592
96 HG3 NVA 16 HG2 NVA 15 31.357 -2.310 -1.275
97 HD1 NVA 16 HD1 NVA 15 29.810 -4.087 -0.778
98 HD2 NVA 16 HD2 NVA 15 31.090 -5.290 -0.929
99 HD3 NVA 16 HD3 NVA 15 30.554 -4.391 -2.347
100 HA PRO 17 HA PRO 16 34.918 1.151 -0.991
101 HB2 PRO 17 HB2 PRO 16 35.072 -0.311 -3.590
102 HB3 PRO 17 HB1 PRO 16 36.159 0.911 -2.921
103 HG2 PRO 17 HG2 PRO 16 36.820 -1.674 -2.903
104 HG3 PRO 17 HG1 PRO 16 37.238 -0.607 -1.550
105 HD2 PRO 17 HD2 PRO 16 35.146 -2.713 -1.723
106 HD3 PRO 17 HD1 PRO 16 36.079 -2.150 -0.323
107 HA PRO 18 HA PRO 17 30.555 1.833 -2.040
108 HB2 PRO 18 HB2 PRO 17 31.001 4.544 -2.537
109 HB3 PRO 18 HB1 PRO 17 30.540 3.846 -0.982
110 HG2 PRO 18 HG2 PRO 17 33.246 4.602 -1.996
111 HG3 PRO 18 HG1 PRO 17 32.562 4.799 -0.372
112 HD2 PRO 18 HD2 PRO 17 34.297 2.849 -0.873
113 HD3 PRO 18 HD1 PRO 17 32.883 2.546 0.166
114 HA PRO 19 HA PRO 18 31.035 1.671 -6.479
115 HB2 PRO 19 HB2 PRO 18 28.417 1.578 -7.141
116 HB3 PRO 19 HB1 PRO 18 29.266 0.198 -6.438
117 HG2 PRO 19 HG2 PRO 18 27.456 2.179 -5.122
118 HG3 PRO 19 HG1 PRO 18 27.547 0.424 -4.897
119 HD2 PRO 19 HD2 PRO 18 28.671 2.226 -3.185
120 HD3 PRO 19 HD1 PRO 18 29.292 0.582 -3.421
121 H SER 20 HN SER 19 31.714 3.463 -7.475
122 HA SER 20 HA SER 19 29.830 5.707 -7.753
123 HB2 SER 20 HB2 SER 19 32.763 5.817 -7.051
124 HB3 SER 20 HB1 SER 19 31.914 7.201 -7.741
125 HG SER 20 HG SER 19 31.909 7.261 -5.460
126 HN1 NH2 21 H2 SER 19 32.958 4.542 -9.022
127 HN2 NH2 21 H1 SER 19 32.573 4.813 -10.684
Start of MODEL 17
1 H1 ACE 1 HA2 ALA 1 19.945 2.265 -6.644
2 H2 ACE 1 HA3 ALA 1 19.355 0.762 -7.347
3 H3 ACE 1 HA1 ALA 1 19.905 2.095 -8.398
4 H ALA 2 HN ALA 1 21.978 2.353 -6.014
5 HA ALA 2 HA ALA 1 23.708 0.101 -6.403
6 HB1 ALA 2 HB2 ALA 1 25.573 1.521 -7.397
7 HB2 ALA 2 HB3 ALA 1 24.317 2.686 -7.816
8 HB3 ALA 2 HB1 ALA 1 24.265 1.054 -8.483
9 H TYR 3 HN TYR 2 24.106 3.602 -5.737
10 HA TYR 3 HA TYR 2 25.948 3.236 -3.636
11 HB2 TYR 3 HB2 TYR 2 25.581 5.361 -4.943
12 HB3 TYR 3 HB1 TYR 2 24.114 5.613 -4.003
13 HD1 TYR 3 HD1 TYR 2 27.766 5.682 -3.957
14 HD2 TYR 3 HD2 TYR 2 24.239 6.181 -1.628
15 HE1 TYR 3 HE1 TYR 2 29.086 6.792 -2.205
16 HE2 TYR 3 HE2 TYR 2 25.552 7.294 0.128
17 HH TYR 3 HH TYR 2 28.162 8.675 -0.119
18 H ALA 4 HN ALA 3 22.422 3.633 -3.642
19 HA ALA 4 HA ALA 3 22.051 3.841 -0.866
20 HB1 ALA 4 HB1 ALA 3 20.258 4.411 -2.340
21 HB2 ALA 4 HB2 ALA 3 19.727 3.059 -1.341
22 HB3 ALA 4 HB3 ALA 3 20.218 2.780 -3.011
23 H GLN 5 HN GLN 4 22.249 1.016 -2.999
24 HA GLN 5 HA GLN 4 21.603 -0.939 -1.062
25 HB2 GLN 5 HB2 GLN 4 21.849 -1.084 -3.685
26 HB3 GLN 5 HB1 GLN 4 23.502 -1.535 -3.298
27 HG2 GLN 5 HG2 GLN 4 21.716 -3.039 -1.659
28 HG3 GLN 5 HG1 GLN 4 21.211 -3.166 -3.343
29 HE21 GLN 5 HE21 GLN 4 23.241 -4.388 -0.998
30 HE22 GLN 5 HE22 GLN 4 24.335 -5.254 -2.016
31 H TRP 6 HN TRP 5 24.630 0.585 -2.030
32 HA TRP 6 HA TRP 5 26.457 -1.033 -0.683
33 HB2 TRP 6 HB2 TRP 5 27.263 0.599 -2.237
34 HB3 TRP 6 HB1 TRP 5 26.505 1.913 -1.350
35 HD1 TRP 6 HD1 TRP 5 29.331 -0.690 -0.768
36 HE1 TRP 6 HE1 TRP 5 31.150 0.434 0.661
37 HE3 TRP 6 HE3 TRP 5 27.072 3.827 0.025
38 HZ2 TRP 6 HZ2 TRP 5 31.574 2.900 1.955
39 HZ3 TRP 6 HZ3 TRP 5 28.255 5.514 1.372
40 HH2 TRP 6 HH2 TRP 5 30.459 5.057 2.316
41 H LEU 7 HN LEU 6 24.629 1.792 0.460
42 HA LEU 7 HA LEU 6 25.764 1.917 3.043
43 HB2 LEU 7 HB2 LEU 6 23.111 2.860 1.963
44 HB3 LEU 7 HB1 LEU 6 23.632 3.167 3.609
45 HG LEU 7 HG LEU 6 25.106 4.105 1.148
46 HD11 LEU 7 HD11 LEU 6 24.245 6.359 2.285
47 HD12 LEU 7 HD12 LEU 6 22.920 5.291 2.748
48 HD13 LEU 7 HD13 LEU 6 23.328 5.502 1.045
49 HD21 LEU 7 HD21 LEU 6 25.473 4.725 4.078
50 HD22 LEU 7 HD22 LEU 6 26.322 5.524 2.754
51 HD23 LEU 7 HD23 LEU 6 26.575 3.805 3.053
52 H ALA 8 HN ALA 7 23.019 0.131 1.724
53 HA ALA 8 HA ALA 7 21.878 -0.756 4.125
54 HB1 ALA 8 HB1 ALA 7 20.422 -1.331 2.529
55 HB2 ALA 8 HB2 ALA 7 21.376 -2.807 2.381
56 HB3 ALA 8 HB3 ALA 7 21.677 -1.451 1.296
57 H ASP 9 HN ASP 8 24.587 -2.023 2.245
58 HA ASP 9 HA ASP 8 24.817 -4.460 3.720
59 HB2 ASP 9 HB2 ASP 8 27.001 -3.127 2.108
60 HB3 ASP 9 HB1 ASP 8 26.853 -4.833 2.513
61 H DAL 10 HN DAL 9 25.658 -1.233 4.447
62 HA DAL 10 HA DAL 9 27.571 -2.124 6.501
63 HB1 DAL 10 HB1 DAL 9 26.569 -0.710 8.124
64 HB2 DAL 10 HB2 DAL 9 25.272 -1.651 7.386
65 HB3 DAL 10 HB3 DAL 9 25.516 0.033 6.920
66 H GLY 11 HN GLY 10 27.680 -0.621 3.749
67 HA2 GLY 11 HA2 GLY 10 28.867 1.112 2.822
68 HA3 GLY 11 HA1 GLY 10 28.615 1.996 4.319
69 HA PRO 12 HA PRO 11 33.118 1.573 4.399
70 HB2 PRO 12 HB2 PRO 11 32.809 3.149 6.881
71 HB3 PRO 12 HB1 PRO 11 33.771 3.493 5.439
72 HG2 PRO 12 HG2 PRO 11 31.536 4.864 5.984
73 HG3 PRO 12 HG1 PRO 11 31.993 4.457 4.319
74 HD2 PRO 12 HD2 PRO 11 29.954 3.170 6.094
75 HD3 PRO 12 HD1 PRO 11 29.869 3.539 4.359
76 H ALA 13 HN ALA 12 30.836 0.843 6.971
77 HA ALA 13 HA ALA 12 32.681 -0.329 8.776
78 HB1 ALA 13 HB1 ALA 12 30.507 -1.459 9.643
79 HB2 ALA 13 HB2 ALA 12 29.707 -0.373 8.506
80 HB3 ALA 13 HB3 ALA 12 30.709 0.286 9.797
81 H SER 14 HN SER 13 30.683 -1.680 6.171
82 HA SER 14 HA SER 13 31.263 -4.397 6.750
83 HB2 SER 14 HB2 SER 13 30.395 -4.843 4.466
84 HB3 SER 14 HB1 SER 13 29.325 -3.809 5.409
85 HG SER 14 HG SER 13 30.926 -3.181 3.203
86 H DAL 15 HN DAL 14 33.015 -1.920 5.046
87 HA DAL 15 HA DAL 14 35.255 -3.736 4.699
88 HB1 DAL 15 HB1 DAL 14 35.022 -0.768 4.207
89 HB2 DAL 15 HB2 DAL 14 36.509 -1.707 4.082
90 HB3 DAL 15 HB3 DAL 14 35.696 -1.546 5.639
91 H NVA 16 HN NVA 15 33.052 -1.821 2.703
92 HA NVA 16 HA NVA 15 34.167 -3.114 0.304
93 HB2 NVA 16 HB1 NVA 15 31.255 -2.609 0.956
94 HB3 NVA 16 HB2 NVA 15 32.050 -4.174 0.899
95 HG2 NVA 16 HG1 NVA 15 32.154 -2.519 -1.557
96 HG3 NVA 16 HG2 NVA 15 30.603 -3.240 -1.117
97 HD1 NVA 16 HD1 NVA 15 31.700 -4.769 -2.562
98 HD2 NVA 16 HD2 NVA 15 31.799 -5.441 -0.934
99 HD3 NVA 16 HD3 NVA 15 33.205 -4.651 -1.649
100 HA PRO 17 HA PRO 16 34.597 1.059 -1.142
101 HB2 PRO 17 HB2 PRO 16 34.935 0.543 -3.793
102 HB3 PRO 17 HB1 PRO 16 36.199 0.287 -2.586
103 HG2 PRO 17 HG2 PRO 16 34.340 -1.696 -3.834
104 HG3 PRO 17 HG1 PRO 16 36.071 -1.851 -3.481
105 HD2 PRO 17 HD2 PRO 16 34.154 -2.939 -1.906
106 HD3 PRO 17 HD1 PRO 16 35.701 -2.353 -1.263
107 HA PRO 18 HA PRO 17 30.309 1.972 -2.167
108 HB2 PRO 18 HB2 PRO 17 30.786 4.662 -2.617
109 HB3 PRO 18 HB1 PRO 17 30.439 3.949 -1.040
110 HG2 PRO 18 HG2 PRO 17 33.071 4.670 -2.258
111 HG3 PRO 18 HG1 PRO 17 32.513 4.878 -0.587
112 HD2 PRO 18 HD2 PRO 17 34.170 2.890 -1.251
113 HD3 PRO 18 HD1 PRO 17 32.876 2.643 -0.058
114 HA PRO 19 HA PRO 18 30.663 1.960 -6.613
115 HB2 PRO 19 HB2 PRO 18 28.048 1.892 -7.222
116 HB3 PRO 19 HB1 PRO 18 28.869 0.506 -6.493
117 HG2 PRO 19 HG2 PRO 18 27.109 2.554 -5.213
118 HG3 PRO 19 HG1 PRO 18 27.173 0.805 -4.941
119 HD2 PRO 19 HD2 PRO 18 28.369 2.681 -3.316
120 HD3 PRO 19 HD1 PRO 18 28.883 0.988 -3.438
121 H SER 20 HN SER 19 31.578 4.144 -6.613
122 HA SER 20 HA SER 19 29.690 6.078 -7.748
123 HB2 SER 20 HB2 SER 19 31.688 6.694 -5.556
124 HB3 SER 20 HB1 SER 19 30.792 7.913 -6.463
125 HG SER 20 HG SER 19 29.665 7.504 -4.593
126 HN1 NH2 21 H2 SER 19 31.006 4.801 -9.511
127 HN2 NH2 21 H1 SER 19 32.418 5.615 -10.083
Start of MODEL 18
1 H1 ACE 1 HA2 ALA 1 19.648 -0.291 -7.401
2 H2 ACE 1 HA3 ALA 1 20.158 1.226 -8.154
3 H3 ACE 1 HA1 ALA 1 19.992 1.126 -6.397
4 H ALA 2 HN ALA 1 22.211 1.925 -6.388
5 HA ALA 2 HA ALA 1 24.097 -0.311 -6.445
6 HB1 ALA 2 HB2 ALA 1 24.414 2.248 -7.976
7 HB2 ALA 2 HB3 ALA 1 24.625 0.588 -8.531
8 HB3 ALA 2 HB1 ALA 1 25.815 1.313 -7.451
9 H TYR 3 HN TYR 2 24.270 3.231 -5.935
10 HA TYR 3 HA TYR 2 26.042 3.023 -3.746
11 HB2 TYR 3 HB2 TYR 2 25.723 5.055 -5.202
12 HB3 TYR 3 HB1 TYR 2 24.210 5.351 -4.350
13 HD1 TYR 3 HD1 TYR 2 27.844 5.521 -4.175
14 HD2 TYR 3 HD2 TYR 2 24.232 6.000 -1.975
15 HE1 TYR 3 HE1 TYR 2 29.071 6.753 -2.436
16 HE2 TYR 3 HE2 TYR 2 25.454 7.231 -0.231
17 HH TYR 3 HH TYR 2 27.989 8.694 -0.442
18 H ALA 4 HN ALA 3 22.521 3.371 -3.943
19 HA ALA 4 HA ALA 3 22.004 3.775 -1.217
20 HB1 ALA 4 HB1 ALA 3 19.723 2.975 -1.730
21 HB2 ALA 4 HB2 ALA 3 20.287 2.465 -3.321
22 HB3 ALA 4 HB3 ALA 3 20.307 4.173 -2.884
23 H GLN 5 HN GLN 4 22.343 0.791 -3.106
24 HA GLN 5 HA GLN 4 21.646 -0.994 -1.022
25 HB2 GLN 5 HB2 GLN 4 22.202 -1.249 -3.705
26 HB3 GLN 5 HB1 GLN 4 23.598 -2.014 -2.960
27 HG2 GLN 5 HG2 GLN 4 20.882 -2.751 -1.998
28 HG3 GLN 5 HG1 GLN 4 21.442 -3.383 -3.546
29 HE21 GLN 5 HE21 GLN 4 22.907 -5.009 -3.580
30 HE22 GLN 5 HE22 GLN 4 23.569 -5.749 -2.165
31 H TRP 6 HN TRP 5 24.697 0.446 -2.052
32 HA TRP 6 HA TRP 5 26.501 -1.047 -0.554
33 HB2 TRP 6 HB2 TRP 5 27.321 0.509 -2.181
34 HB3 TRP 6 HB1 TRP 5 26.535 1.862 -1.378
35 HD1 TRP 6 HD1 TRP 5 29.389 -0.669 -0.642
36 HE1 TRP 6 HE1 TRP 5 31.163 0.536 0.775
37 HE3 TRP 6 HE3 TRP 5 27.041 3.834 -0.050
38 HZ2 TRP 6 HZ2 TRP 5 31.525 3.055 1.984
39 HZ3 TRP 6 HZ3 TRP 5 28.173 5.590 1.252
40 HH2 TRP 6 HH2 TRP 5 30.370 5.204 2.247
41 H LEU 7 HN LEU 6 24.586 1.791 0.394
42 HA LEU 7 HA LEU 6 25.668 2.064 2.994
43 HB2 LEU 7 HB2 LEU 6 23.040 2.928 1.800
44 HB3 LEU 7 HB1 LEU 6 23.499 3.305 3.448
45 HG LEU 7 HG LEU 6 25.039 4.168 1.000
46 HD11 LEU 7 HD11 LEU 6 23.219 5.519 0.821
47 HD12 LEU 7 HD12 LEU 6 24.145 6.454 1.994
48 HD13 LEU 7 HD13 LEU 6 22.830 5.413 2.538
49 HD21 LEU 7 HD21 LEU 6 26.455 3.936 2.961
50 HD22 LEU 7 HD22 LEU 6 25.327 4.899 3.913
51 HD23 LEU 7 HD23 LEU 6 26.213 5.640 2.582
52 H ALA 8 HN ALA 7 22.954 0.213 1.697
53 HA ALA 8 HA ALA 7 21.778 -0.597 4.108
54 HB1 ALA 8 HB1 ALA 7 20.519 -2.077 2.857
55 HB2 ALA 8 HB2 ALA 7 21.835 -2.409 1.729
56 HB3 ALA 8 HB3 ALA 7 20.973 -0.872 1.652
57 H ASP 9 HN ASP 8 24.519 -1.920 2.308
58 HA ASP 9 HA ASP 8 24.754 -4.296 3.870
59 HB2 ASP 9 HB2 ASP 8 26.873 -2.947 2.182
60 HB3 ASP 9 HB1 ASP 8 26.893 -4.612 2.751
61 H DAL 10 HN DAL 9 25.553 -1.038 4.509
62 HA DAL 10 HA DAL 9 27.428 -1.844 6.632
63 HB1 DAL 10 HB1 DAL 9 25.110 -1.351 7.449
64 HB2 DAL 10 HB2 DAL 9 25.357 0.316 6.928
65 HB3 DAL 10 HB3 DAL 9 26.387 -0.379 8.180
66 H GLY 11 HN GLY 10 27.576 -0.430 3.829
67 HA2 GLY 11 HA2 GLY 10 28.775 1.277 2.868
68 HA3 GLY 11 HA1 GLY 10 28.499 2.205 4.334
69 HA PRO 12 HA PRO 11 32.998 1.801 4.504
70 HB2 PRO 12 HB2 PRO 11 32.637 3.425 6.950
71 HB3 PRO 12 HB1 PRO 11 33.627 3.743 5.521
72 HG2 PRO 12 HG2 PRO 11 31.378 5.116 5.990
73 HG3 PRO 12 HG1 PRO 11 31.869 4.675 4.343
74 HD2 PRO 12 HD2 PRO 11 29.798 3.420 6.107
75 HD3 PRO 12 HD1 PRO 11 29.746 3.750 4.363
76 H ALA 13 HN ALA 12 30.681 1.121 7.063
77 HA ALA 13 HA ALA 12 32.508 -0.016 8.911
78 HB1 ALA 13 HB1 ALA 12 29.536 -0.064 8.610
79 HB2 ALA 13 HB2 ALA 12 30.526 0.617 9.901
80 HB3 ALA 13 HB3 ALA 12 30.323 -1.130 9.775
81 H SER 14 HN SER 13 30.530 -1.419 6.313
82 HA SER 14 HA SER 13 31.061 -4.122 6.941
83 HB2 SER 14 HB2 SER 13 30.250 -4.621 4.678
84 HB3 SER 14 HB1 SER 13 29.201 -3.457 5.482
85 HG SER 14 HG SER 13 29.805 -1.938 4.113
86 H DAL 15 HN DAL 14 32.923 -1.711 5.251
87 HA DAL 15 HA DAL 14 35.141 -3.583 5.039
88 HB1 DAL 15 HB1 DAL 14 35.530 -1.354 5.990
89 HB2 DAL 15 HB2 DAL 14 35.056 -0.623 4.457
90 HB3 DAL 15 HB3 DAL 14 36.502 -1.629 4.544
91 H NVA 16 HN NVA 15 33.032 -1.678 2.953
92 HA NVA 16 HA NVA 15 34.258 -2.947 0.594
93 HB2 NVA 16 HB1 NVA 15 31.311 -2.517 1.130
94 HB3 NVA 16 HB2 NVA 15 32.148 -4.063 1.136
95 HG2 NVA 16 HG1 NVA 15 32.302 -2.435 -1.340
96 HG3 NVA 16 HG2 NVA 15 30.766 -3.218 -0.956
97 HD1 NVA 16 HD1 NVA 15 32.269 -5.319 -0.579
98 HD2 NVA 16 HD2 NVA 15 33.408 -4.439 -1.597
99 HD3 NVA 16 HD3 NVA 15 31.803 -4.839 -2.211
100 HA PRO 17 HA PRO 16 34.571 1.250 -0.824
101 HB2 PRO 17 HB2 PRO 16 35.121 0.759 -3.438
102 HB3 PRO 17 HB1 PRO 16 36.308 0.544 -2.147
103 HG2 PRO 17 HG2 PRO 16 34.625 -1.502 -3.534
104 HG3 PRO 17 HG1 PRO 16 36.330 -1.591 -3.056
105 HD2 PRO 17 HD2 PRO 16 34.332 -2.758 -1.633
106 HD3 PRO 17 HD1 PRO 16 35.822 -2.146 -0.885
107 HA PRO 18 HA PRO 17 30.343 2.001 -2.144
108 HB2 PRO 18 HB2 PRO 17 30.800 4.666 -2.772
109 HB3 PRO 18 HB1 PRO 17 30.363 4.062 -1.172
110 HG2 PRO 18 HG2 PRO 17 33.052 4.762 -2.268
111 HG3 PRO 18 HG1 PRO 17 32.387 5.051 -0.648
112 HD2 PRO 18 HD2 PRO 17 34.125 3.070 -1.095
113 HD3 PRO 18 HD1 PRO 17 32.768 2.862 0.035
114 HA PRO 19 HA PRO 18 30.911 1.554 -6.548
115 HB2 PRO 19 HB2 PRO 18 28.309 1.613 -7.290
116 HB3 PRO 19 HB1 PRO 18 29.042 0.215 -6.496
117 HG2 PRO 19 HG2 PRO 18 27.348 2.384 -5.326
118 HG3 PRO 19 HG1 PRO 18 27.299 0.638 -5.022
119 HD2 PRO 19 HD2 PRO 18 28.506 2.406 -3.345
120 HD3 PRO 19 HD1 PRO 18 29.038 0.725 -3.524
121 H SER 20 HN SER 19 31.727 3.216 -7.658
122 HA SER 20 HA SER 19 30.013 5.552 -8.155
123 HB2 SER 20 HB2 SER 19 32.965 5.670 -7.492
124 HB3 SER 20 HB1 SER 19 31.956 7.044 -7.939
125 HG SER 20 HG SER 19 32.032 5.581 -5.563
126 HN1 NH2 21 H2 SER 19 29.989 6.251 -10.221
127 HN2 NH2 21 H1 SER 19 30.981 5.626 -11.489
Start of MODEL 19
1 H1 ACE 1 HA2 ALA 1 20.195 1.343 -6.640
2 H2 ACE 1 HA3 ALA 1 19.736 -0.276 -7.160
3 H3 ACE 1 HA1 ALA 1 20.162 0.973 -8.361
4 H ALA 2 HN ALA 1 22.241 1.749 -6.151
5 HA ALA 2 HA ALA 1 24.160 -0.405 -6.339
6 HB1 ALA 2 HB2 ALA 1 24.491 2.127 -7.917
7 HB2 ALA 2 HB3 ALA 1 24.650 0.457 -8.461
8 HB3 ALA 2 HB1 ALA 1 25.876 1.162 -7.408
9 H TYR 3 HN TYR 2 24.290 3.148 -5.905
10 HA TYR 3 HA TYR 2 26.094 3.007 -3.725
11 HB2 TYR 3 HB2 TYR 2 25.734 4.993 -5.252
12 HB3 TYR 3 HB1 TYR 2 24.248 5.313 -4.363
13 HD1 TYR 3 HD1 TYR 2 27.882 5.499 -4.306
14 HD2 TYR 3 HD2 TYR 2 24.341 6.020 -2.003
15 HE1 TYR 3 HE1 TYR 2 29.160 6.782 -2.642
16 HE2 TYR 3 HE2 TYR 2 25.612 7.303 -0.332
17 HH TYR 3 HH TYR 2 28.793 7.256 -0.003
18 H ALA 4 HN ALA 3 22.570 3.384 -3.917
19 HA ALA 4 HA ALA 3 22.078 3.818 -1.187
20 HB1 ALA 4 HB1 ALA 3 19.778 3.021 -1.690
21 HB2 ALA 4 HB2 ALA 3 20.334 2.554 -3.297
22 HB3 ALA 4 HB3 ALA 3 20.364 4.249 -2.811
23 H GLN 5 HN GLN 4 22.346 0.819 -3.067
24 HA GLN 5 HA GLN 4 21.632 -0.953 -0.983
25 HB2 GLN 5 HB2 GLN 4 21.699 -1.559 -3.404
26 HB3 GLN 5 HB1 GLN 4 23.455 -1.500 -3.336
27 HG2 GLN 5 HG2 GLN 4 22.948 -3.760 -3.149
28 HG3 GLN 5 HG1 GLN 4 23.271 -3.255 -1.493
29 HE21 GLN 5 HE21 GLN 4 21.883 -5.560 -2.019
30 HE22 GLN 5 HE22 GLN 4 20.234 -5.368 -1.544
31 H TRP 6 HN TRP 5 24.711 0.433 -2.021
32 HA TRP 6 HA TRP 5 26.480 -1.063 -0.487
33 HB2 TRP 6 HB2 TRP 5 27.340 0.451 -2.134
34 HB3 TRP 6 HB1 TRP 5 26.573 1.829 -1.359
35 HD1 TRP 6 HD1 TRP 5 29.347 -0.759 -0.517
36 HE1 TRP 6 HE1 TRP 5 31.134 0.436 0.893
37 HE3 TRP 6 HE3 TRP 5 27.126 3.828 -0.108
38 HZ2 TRP 6 HZ2 TRP 5 31.554 2.985 2.025
39 HZ3 TRP 6 HZ3 TRP 5 28.291 5.591 1.156
40 HH2 TRP 6 HH2 TRP 5 30.457 5.175 2.200
41 H LEU 7 HN LEU 6 24.626 1.839 0.393
42 HA LEU 7 HA LEU 6 25.692 2.135 2.996
43 HB2 LEU 7 HB2 LEU 6 23.094 3.038 1.766
44 HB3 LEU 7 HB1 LEU 6 23.556 3.442 3.408
45 HG LEU 7 HG LEU 6 25.128 4.207 0.945
46 HD11 LEU 7 HD11 LEU 6 24.287 6.539 1.877
47 HD12 LEU 7 HD12 LEU 6 22.945 5.545 2.444
48 HD13 LEU 7 HD13 LEU 6 23.339 5.597 0.727
49 HD21 LEU 7 HD21 LEU 6 26.549 4.003 2.886
50 HD22 LEU 7 HD22 LEU 6 25.427 4.963 3.851
51 HD23 LEU 7 HD23 LEU 6 26.306 5.711 2.518
52 H ALA 8 HN ALA 7 22.911 0.355 1.725
53 HA ALA 8 HA ALA 7 21.738 -0.388 4.163
54 HB1 ALA 8 HB1 ALA 7 20.380 -0.755 2.331
55 HB2 ALA 8 HB2 ALA 7 20.905 -2.390 2.730
56 HB3 ALA 8 HB3 ALA 7 21.664 -1.521 1.397
57 H ASP 9 HN ASP 8 24.420 -1.794 2.355
58 HA ASP 9 HA ASP 8 24.570 -4.188 3.908
59 HB2 ASP 9 HB2 ASP 8 26.830 -2.992 2.301
60 HB3 ASP 9 HB1 ASP 8 26.574 -4.681 2.718
61 H DAL 10 HN DAL 9 25.513 -0.961 4.524
62 HA DAL 10 HA DAL 9 27.394 -1.833 6.615
63 HB1 DAL 10 HB1 DAL 9 26.351 -0.594 8.254
64 HB2 DAL 10 HB2 DAL 9 24.976 -1.196 7.328
65 HB3 DAL 10 HB3 DAL 9 25.541 0.459 7.094
66 H GLY 11 HN GLY 10 27.536 -0.402 3.831
67 HA2 GLY 11 HA2 GLY 10 28.724 1.315 2.870
68 HA3 GLY 11 HA1 GLY 10 28.508 2.218 4.360
69 HA PRO 12 HA PRO 11 33.004 1.713 4.390
70 HB2 PRO 12 HB2 PRO 11 32.749 3.303 6.871
71 HB3 PRO 12 HB1 PRO 11 33.704 3.623 5.421
72 HG2 PRO 12 HG2 PRO 11 31.502 5.039 5.977
73 HG3 PRO 12 HG1 PRO 11 31.937 4.615 4.311
74 HD2 PRO 12 HD2 PRO 11 29.888 3.377 6.111
75 HD3 PRO 12 HD1 PRO 11 29.794 3.738 4.375
76 H ALA 13 HN ALA 12 30.736 1.036 6.989
77 HA ALA 13 HA ALA 12 32.582 -0.188 8.766
78 HB1 ALA 13 HB1 ALA 12 30.635 0.509 9.805
79 HB2 ALA 13 HB2 ALA 12 30.405 -1.236 9.693
80 HB3 ALA 13 HB3 ALA 12 29.599 -0.165 8.547
81 H SER 14 HN SER 13 30.506 -1.454 6.179
82 HA SER 14 HA SER 13 30.899 -4.191 6.722
83 HB2 SER 14 HB2 SER 13 30.075 -4.595 4.463
84 HB3 SER 14 HB1 SER 13 29.114 -3.337 5.235
85 HG SER 14 HG SER 13 30.898 -3.168 3.103
86 H DAL 15 HN DAL 14 32.893 -1.841 5.078
87 HA DAL 15 HA DAL 14 35.033 -3.806 4.887
88 HB1 DAL 15 HB1 DAL 14 35.070 -0.834 4.365
89 HB2 DAL 15 HB2 DAL 14 36.478 -1.895 4.415
90 HB3 DAL 15 HB3 DAL 14 35.525 -1.626 5.874
91 H NVA 16 HN NVA 15 33.037 -1.792 2.790
92 HA NVA 16 HA NVA 15 34.282 -3.041 0.434
93 HB2 NVA 16 HB1 NVA 15 31.328 -2.649 0.962
94 HB3 NVA 16 HB2 NVA 15 32.179 -4.185 0.889
95 HG2 NVA 16 HG1 NVA 15 32.767 -3.108 -1.551
96 HG3 NVA 16 HG2 NVA 15 31.127 -2.515 -1.266
97 HD1 NVA 16 HD1 NVA 15 32.096 -5.248 -1.759
98 HD2 NVA 16 HD2 NVA 15 30.549 -4.500 -2.157
99 HD3 NVA 16 HD3 NVA 15 30.850 -5.091 -0.521
100 HA PRO 17 HA PRO 16 34.615 1.197 -0.878
101 HB2 PRO 17 HB2 PRO 16 35.194 0.762 -3.500
102 HB3 PRO 17 HB1 PRO 16 36.371 0.543 -2.200
103 HG2 PRO 17 HG2 PRO 16 34.720 -1.505 -3.626
104 HG3 PRO 17 HG1 PRO 16 36.427 -1.575 -3.152
105 HD2 PRO 17 HD2 PRO 16 34.477 -2.805 -1.741
106 HD3 PRO 17 HD1 PRO 16 35.931 -2.138 -0.974
107 HA PRO 18 HA PRO 17 30.378 1.936 -2.175
108 HB2 PRO 18 HB2 PRO 17 30.842 4.615 -2.788
109 HB3 PRO 18 HB1 PRO 17 30.362 3.992 -1.208
110 HG2 PRO 18 HG2 PRO 17 33.074 4.720 -2.217
111 HG3 PRO 18 HG1 PRO 17 32.370 4.959 -0.607
112 HD2 PRO 18 HD2 PRO 17 34.133 3.004 -1.068
113 HD3 PRO 18 HD1 PRO 17 32.753 2.755 0.024
114 HA PRO 19 HA PRO 18 30.933 1.597 -6.590
115 HB2 PRO 19 HB2 PRO 18 28.340 1.448 -7.304
116 HB3 PRO 19 HB1 PRO 18 29.166 0.119 -6.483
117 HG2 PRO 19 HG2 PRO 18 27.315 2.181 -5.363
118 HG3 PRO 19 HG1 PRO 18 27.407 0.447 -5.009
119 HD2 PRO 19 HD2 PRO 18 28.486 2.401 -3.416
120 HD3 PRO 19 HD1 PRO 18 29.078 0.731 -3.474
121 H SER 20 HN SER 19 31.811 3.645 -7.039
122 HA SER 20 HA SER 19 29.926 5.503 -8.257
123 HB2 SER 20 HB2 SER 19 31.884 6.320 -6.097
124 HB3 SER 20 HB1 SER 19 31.036 7.458 -7.144
125 HG SER 20 HG SER 19 29.148 6.951 -6.190
126 HN1 NH2 21 H2 SER 19 30.710 5.257 -10.279
127 HN2 NH2 21 H1 SER 19 32.343 5.564 -10.750
Start of MODEL 20
1 H1 ACE 1 HA2 ALA 1 19.455 1.129 -7.037
2 H2 ACE 1 HA3 ALA 1 20.337 2.651 -7.238
3 H3 ACE 1 HA1 ALA 1 19.582 2.264 -5.685
4 H ALA 2 HN ALA 1 22.378 2.014 -7.609
5 HA ALA 2 HA ALA 1 23.604 -0.232 -6.381
6 HB1 ALA 2 HB2 ALA 1 25.708 1.280 -7.232
7 HB2 ALA 2 HB3 ALA 1 24.400 1.874 -8.255
8 HB3 ALA 2 HB1 ALA 1 24.796 0.156 -8.240
9 H TYR 3 HN TYR 2 24.051 3.276 -5.885
10 HA TYR 3 HA TYR 2 25.845 3.038 -3.725
11 HB2 TYR 3 HB2 TYR 2 25.470 5.104 -5.110
12 HB3 TYR 3 HB1 TYR 2 23.957 5.343 -4.243
13 HD1 TYR 3 HD1 TYR 2 27.603 5.510 -4.039
14 HD2 TYR 3 HD2 TYR 2 23.959 6.014 -1.898
15 HE1 TYR 3 HE1 TYR 2 28.814 6.723 -2.277
16 HE2 TYR 3 HE2 TYR 2 25.164 7.230 -0.130
17 HH TYR 3 HH TYR 2 27.716 8.671 -0.297
18 H ALA 4 HN ALA 3 22.315 3.300 -3.853
19 HA ALA 4 HA ALA 3 21.836 3.611 -1.104
20 HB1 ALA 4 HB1 ALA 3 20.134 3.977 -2.835
21 HB2 ALA 4 HB2 ALA 3 19.570 2.878 -1.577
22 HB3 ALA 4 HB3 ALA 3 20.081 2.241 -3.140
23 H GLN 5 HN GLN 4 22.250 0.708 -3.095
24 HA GLN 5 HA GLN 4 21.633 -1.177 -1.076
25 HB2 GLN 5 HB2 GLN 4 22.457 -1.238 -3.801
26 HB3 GLN 5 HB1 GLN 4 23.561 -2.260 -2.890
27 HG2 GLN 5 HG2 GLN 4 21.985 -3.806 -3.332
28 HG3 GLN 5 HG1 GLN 4 21.267 -3.138 -1.868
29 HE21 GLN 5 HE21 GLN 4 20.576 -4.109 -4.895
30 HE22 GLN 5 HE22 GLN 4 19.178 -3.144 -5.213
31 H TRP 6 HN TRP 5 24.627 0.404 -2.077
32 HA TRP 6 HA TRP 5 26.477 -1.070 -0.608
33 HB2 TRP 6 HB2 TRP 5 27.259 0.520 -2.218
34 HB3 TRP 6 HB1 TRP 5 26.434 1.844 -1.408
35 HD1 TRP 6 HD1 TRP 5 29.348 -0.618 -0.673
36 HE1 TRP 6 HE1 TRP 5 31.083 0.625 0.760
37 HE3 TRP 6 HE3 TRP 5 26.876 3.816 -0.071
38 HZ2 TRP 6 HZ2 TRP 5 31.368 3.150 1.987
39 HZ3 TRP 6 HZ3 TRP 5 27.952 5.595 1.248
40 HH2 TRP 6 HH2 TRP 5 30.151 5.264 2.254
41 H LEU 7 HN LEU 6 24.470 1.688 0.371
42 HA LEU 7 HA LEU 6 25.558 1.985 2.967
43 HB2 LEU 7 HB2 LEU 6 22.911 2.784 1.770
44 HB3 LEU 7 HB1 LEU 6 23.336 3.144 3.431
45 HG LEU 7 HG LEU 6 24.855 4.107 1.007
46 HD11 LEU 7 HD11 LEU 6 22.621 5.240 2.589
47 HD12 LEU 7 HD12 LEU 6 23.018 5.435 0.882
48 HD13 LEU 7 HD13 LEU 6 23.913 6.338 2.104
49 HD21 LEU 7 HD21 LEU 6 26.001 5.566 2.631
50 HD22 LEU 7 HD22 LEU 6 26.304 3.855 2.935
51 HD23 LEU 7 HD23 LEU 6 25.158 4.740 3.943
52 H ALA 8 HN ALA 7 22.899 0.050 1.674
53 HA ALA 8 HA ALA 7 21.753 -0.789 4.086
54 HB1 ALA 8 HB1 ALA 7 20.355 -1.471 2.477
55 HB2 ALA 8 HB2 ALA 7 21.351 -2.926 2.433
56 HB3 ALA 8 HB3 ALA 7 21.646 -1.621 1.285
57 H ASP 9 HN ASP 8 24.534 -2.044 2.297
58 HA ASP 9 HA ASP 8 24.835 -4.399 3.878
59 HB2 ASP 9 HB2 ASP 8 26.870 -2.976 2.142
60 HB3 ASP 9 HB1 ASP 8 27.039 -4.602 2.797
61 H DAL 10 HN DAL 9 25.530 -1.113 4.489
62 HA DAL 10 HA DAL 9 27.417 -1.835 6.631
63 HB1 DAL 10 HB1 DAL 9 24.961 -1.309 7.277
64 HB2 DAL 10 HB2 DAL 9 25.429 0.367 6.991
65 HB3 DAL 10 HB3 DAL 9 26.276 -0.591 8.207
66 H GLY 11 HN GLY 10 27.539 -0.458 3.811
67 HA2 GLY 11 HA2 GLY 10 28.687 1.273 2.832
68 HA3 GLY 11 HA1 GLY 10 28.360 2.216 4.274
69 HA PRO 12 HA PRO 11 32.870 1.991 4.509
70 HB2 PRO 12 HB2 PRO 11 32.413 3.630 6.927
71 HB3 PRO 12 HB1 PRO 11 33.404 3.972 5.506
72 HG2 PRO 12 HG2 PRO 11 31.095 5.257 5.937
73 HG3 PRO 12 HG1 PRO 11 31.624 4.820 4.301
74 HD2 PRO 12 HD2 PRO 11 29.584 3.500 6.050
75 HD3 PRO 12 HD1 PRO 11 29.543 3.807 4.302
76 H ALA 13 HN ALA 12 30.537 1.248 7.027
77 HA ALA 13 HA ALA 12 32.376 0.202 8.920
78 HB1 ALA 13 HB1 ALA 12 29.872 0.954 9.173
79 HB2 ALA 13 HB2 ALA 12 30.560 -0.285 10.222
80 HB3 ALA 13 HB3 ALA 12 29.556 -0.750 8.850
81 H SER 14 HN SER 13 30.529 -1.270 6.276
82 HA SER 14 HA SER 13 31.105 -3.960 6.965
83 HB2 SER 14 HB2 SER 13 30.359 -4.504 4.682
84 HB3 SER 14 HB1 SER 13 29.252 -3.380 5.467
85 HG SER 14 HG SER 13 31.007 -2.963 3.336
86 H DAL 15 HN DAL 14 32.923 -1.510 5.288
87 HA DAL 15 HA DAL 14 35.202 -3.310 5.135
88 HB1 DAL 15 HB1 DAL 14 35.025 -0.357 4.536
89 HB2 DAL 15 HB2 DAL 14 36.504 -1.310 4.648
90 HB3 DAL 15 HB3 DAL 14 35.502 -1.067 6.078
91 H NVA 16 HN NVA 15 33.082 -1.479 2.989
92 HA NVA 16 HA NVA 15 34.418 -2.702 0.668
93 HB2 NVA 16 HB1 NVA 15 31.437 -2.409 1.101
94 HB3 NVA 16 HB2 NVA 15 32.341 -3.914 1.178
95 HG2 NVA 16 HG1 NVA 15 32.881 -3.749 -1.179
96 HG3 NVA 16 HG2 NVA 15 32.059 -2.187 -1.276
97 HD1 NVA 16 HD1 NVA 15 30.744 -4.798 -0.546
98 HD2 NVA 16 HD2 NVA 15 30.681 -4.034 -2.134
99 HD3 NVA 16 HD3 NVA 15 29.944 -3.238 -0.742
100 HA PRO 17 HA PRO 16 34.539 1.493 -0.779
101 HB2 PRO 17 HB2 PRO 16 35.163 1.016 -3.375
102 HB3 PRO 17 HB1 PRO 16 36.333 0.845 -2.063
103 HG2 PRO 17 HG2 PRO 16 34.736 -1.264 -3.464
104 HG3 PRO 17 HG1 PRO 16 36.443 -1.285 -2.987
105 HD2 PRO 17 HD2 PRO 16 34.507 -2.531 -1.556
106 HD3 PRO 17 HD1 PRO 16 35.957 -1.837 -0.805
107 HA PRO 18 HA PRO 17 30.284 2.003 -2.130
108 HB2 PRO 18 HB2 PRO 17 30.618 4.685 -2.791
109 HB3 PRO 18 HB1 PRO 17 30.171 4.072 -1.196
110 HG2 PRO 18 HG2 PRO 17 32.847 4.902 -2.228
111 HG3 PRO 18 HG1 PRO 17 32.129 5.158 -0.626
112 HD2 PRO 18 HD2 PRO 17 33.979 3.272 -1.023
113 HD3 PRO 18 HD1 PRO 17 32.605 2.990 0.069
114 HA PRO 19 HA PRO 18 30.444 1.295 -6.506
115 HB2 PRO 19 HB2 PRO 18 27.984 2.991 -6.511
116 HB3 PRO 19 HB1 PRO 18 28.260 1.407 -7.245
117 HG2 PRO 19 HG2 PRO 18 26.869 1.623 -4.991
118 HG3 PRO 19 HG1 PRO 18 28.003 0.281 -5.232
119 HD2 PRO 19 HD2 PRO 18 28.285 2.722 -3.550
120 HD3 PRO 19 HD1 PRO 18 28.899 1.082 -3.273
121 H SER 20 HN SER 19 31.897 2.348 -7.705
122 HA SER 20 HA SER 19 31.484 5.214 -8.229
123 HB2 SER 20 HB2 SER 19 34.101 3.831 -7.607
124 HB3 SER 20 HB1 SER 19 33.991 5.457 -8.282
125 HG SER 20 HG SER 19 33.983 4.882 -5.782
126 HN1 NH2 21 H2 SER 19 33.457 2.448 -9.324
127 HN2 NH2 21 H1 SER 19 33.218 2.730 -11.011
Start of MODEL 21
1 H1 ACE 1 HA2 ALA 1 20.138 2.163 -6.783
2 H2 ACE 1 HA3 ALA 1 19.623 0.654 -7.531
3 H3 ACE 1 HA1 ALA 1 20.165 2.022 -8.538
4 H ALA 2 HN ALA 1 22.142 2.292 -6.065
5 HA ALA 2 HA ALA 1 23.955 0.107 -6.432
6 HB1 ALA 2 HB2 ALA 1 24.264 2.518 -8.082
7 HB2 ALA 2 HB3 ALA 1 24.888 0.887 -8.322
8 HB3 ALA 2 HB1 ALA 1 25.724 2.000 -7.240
9 H TYR 3 HN TYR 2 24.223 3.607 -5.724
10 HA TYR 3 HA TYR 2 26.010 3.266 -3.566
11 HB2 TYR 3 HB2 TYR 2 25.650 5.384 -4.889
12 HB3 TYR 3 HB1 TYR 2 24.151 5.611 -3.993
13 HD1 TYR 3 HD1 TYR 2 27.806 5.692 -3.818
14 HD2 TYR 3 HD2 TYR 2 24.189 6.219 -1.637
15 HE1 TYR 3 HE1 TYR 2 29.057 6.820 -2.027
16 HE2 TYR 3 HE2 TYR 2 25.433 7.350 0.159
17 HH TYR 3 HH TYR 2 28.736 7.221 0.477
18 H ALA 4 HN ALA 3 22.483 3.596 -3.707
19 HA ALA 4 HA ALA 3 22.002 3.794 -0.946
20 HB1 ALA 4 HB1 ALA 3 20.305 4.329 -2.605
21 HB2 ALA 4 HB2 ALA 3 19.711 3.112 -1.474
22 HB3 ALA 4 HB3 ALA 3 20.227 2.636 -3.092
23 H GLN 5 HN GLN 4 22.284 0.970 -3.080
24 HA GLN 5 HA GLN 4 21.610 -0.982 -1.143
25 HB2 GLN 5 HB2 GLN 4 22.100 -1.023 -3.836
26 HB3 GLN 5 HB1 GLN 4 23.548 -1.795 -3.208
27 HG2 GLN 5 HG2 GLN 4 20.851 -2.691 -2.294
28 HG3 GLN 5 HG1 GLN 4 21.494 -3.230 -3.844
29 HE21 GLN 5 HE21 GLN 4 20.908 -5.037 -1.885
30 HE22 GLN 5 HE22 GLN 4 22.365 -5.721 -1.260
31 H TRP 6 HN TRP 5 24.639 0.550 -2.087
32 HA TRP 6 HA TRP 5 26.461 -1.055 -0.717
33 HB2 TRP 6 HB2 TRP 5 27.281 0.571 -2.263
34 HB3 TRP 6 HB1 TRP 5 26.497 1.887 -1.401
35 HD1 TRP 6 HD1 TRP 5 29.363 -0.665 -0.790
36 HE1 TRP 6 HE1 TRP 5 31.141 0.487 0.666
37 HE3 TRP 6 HE3 TRP 5 26.997 3.797 0.012
38 HZ2 TRP 6 HZ2 TRP 5 31.500 2.954 1.979
39 HZ3 TRP 6 HZ3 TRP 5 28.129 5.501 1.381
40 HH2 TRP 6 HH2 TRP 5 30.335 5.085 2.343
41 H LEU 7 HN LEU 6 24.550 1.716 0.404
42 HA LEU 7 HA LEU 6 25.671 1.877 2.997
43 HB2 LEU 7 HB2 LEU 6 23.017 2.775 1.887
44 HB3 LEU 7 HB1 LEU 6 23.514 3.092 3.537
45 HG LEU 7 HG LEU 6 25.009 4.046 1.095
46 HD11 LEU 7 HD11 LEU 6 24.088 6.288 2.218
47 HD12 LEU 7 HD12 LEU 6 22.770 5.198 2.642
48 HD13 LEU 7 HD13 LEU 6 23.219 5.421 0.952
49 HD21 LEU 7 HD21 LEU 6 26.176 5.489 2.714
50 HD22 LEU 7 HD22 LEU 6 26.445 3.775 3.032
51 HD23 LEU 7 HD23 LEU 6 25.313 4.689 4.028
52 H ALA 8 HN ALA 7 22.991 0.027 1.641
53 HA ALA 8 HA ALA 7 21.811 -0.868 4.018
54 HB1 ALA 8 HB1 ALA 7 20.642 -2.420 2.717
55 HB2 ALA 8 HB2 ALA 7 21.938 -2.536 1.527
56 HB3 ALA 8 HB3 ALA 7 20.953 -1.077 1.619
57 H ASP 9 HN ASP 8 24.595 -2.091 2.219
58 HA ASP 9 HA ASP 8 24.841 -4.506 3.726
59 HB2 ASP 9 HB2 ASP 8 27.106 -3.200 2.227
60 HB3 ASP 9 HB1 ASP 8 26.832 -4.911 2.523
61 H DAL 10 HN DAL 9 25.602 -1.257 4.435
62 HA DAL 10 HA DAL 9 27.471 -2.085 6.555
63 HB1 DAL 10 HB1 DAL 9 26.388 -0.737 8.143
64 HB2 DAL 10 HB2 DAL 9 25.093 -1.589 7.302
65 HB3 DAL 10 HB3 DAL 9 25.439 0.096 6.912
66 H GLY 11 HN GLY 10 27.591 -0.591 3.775
67 HA2 GLY 11 HA2 GLY 10 28.780 1.137 2.853
68 HA3 GLY 11 HA1 GLY 10 28.503 2.031 4.340
69 HA PRO 12 HA PRO 11 33.011 1.637 4.456
70 HB2 PRO 12 HB2 PRO 11 32.686 3.281 6.889
71 HB3 PRO 12 HB1 PRO 11 33.644 3.592 5.438
72 HG2 PRO 12 HG2 PRO 11 31.398 4.958 5.953
73 HG3 PRO 12 HG1 PRO 11 31.862 4.521 4.299
74 HD2 PRO 12 HD2 PRO 11 29.829 3.256 6.096
75 HD3 PRO 12 HD1 PRO 11 29.745 3.584 4.353
76 H ALA 13 HN ALA 12 30.715 0.961 7.030
77 HA ALA 13 HA ALA 12 32.557 -0.144 8.880
78 HB1 ALA 13 HB1 ALA 12 30.462 0.604 9.706
79 HB2 ALA 13 HB2 ALA 12 30.510 -1.145 9.924
80 HB3 ALA 13 HB3 ALA 12 29.576 -0.446 8.601
81 H SER 14 HN SER 13 30.642 -1.567 6.257
82 HA SER 14 HA SER 13 31.223 -4.270 6.939
83 HB2 SER 14 HB2 SER 13 30.385 -4.790 4.658
84 HB3 SER 14 HB1 SER 13 29.289 -3.753 5.567
85 HG SER 14 HG SER 13 30.893 -3.152 3.356
86 H DAL 15 HN DAL 14 32.969 -1.822 5.199
87 HA DAL 15 HA DAL 14 35.214 -3.644 4.888
88 HB1 DAL 15 HB1 DAL 14 36.494 -1.631 4.320
89 HB2 DAL 15 HB2 DAL 14 35.632 -1.450 5.848
90 HB3 DAL 15 HB3 DAL 14 35.013 -0.676 4.389
91 H NVA 16 HN NVA 15 33.009 -1.752 2.883
92 HA NVA 16 HA NVA 15 34.168 -3.012 0.486
93 HB2 NVA 16 HB1 NVA 15 31.249 -2.535 1.122
94 HB3 NVA 16 HB2 NVA 15 32.057 -4.092 1.036
95 HG2 NVA 16 HG1 NVA 15 32.405 -3.829 -1.341
96 HG3 NVA 16 HG2 NVA 15 31.707 -2.207 -1.288
97 HD1 NVA 16 HD1 NVA 15 30.072 -3.778 -2.117
98 HD2 NVA 16 HD2 NVA 15 29.576 -3.190 -0.530
99 HD3 NVA 16 HD3 NVA 15 30.286 -4.796 -0.693
100 HA PRO 17 HA PRO 16 34.541 1.176 -0.935
101 HB2 PRO 17 HB2 PRO 16 35.028 0.696 -3.554
102 HB3 PRO 17 HB1 PRO 16 36.226 0.391 -2.290
103 HG2 PRO 17 HG2 PRO 16 34.388 -1.534 -3.663
104 HG3 PRO 17 HG1 PRO 16 36.106 -1.719 -3.263
105 HD2 PRO 17 HD2 PRO 16 34.125 -2.814 -1.770
106 HD3 PRO 17 HD1 PRO 16 35.666 -2.277 -1.074
107 HA PRO 18 HA PRO 17 30.295 2.013 -2.161
108 HB2 PRO 18 HB2 PRO 17 30.728 4.705 -2.622
109 HB3 PRO 18 HB1 PRO 17 30.358 4.001 -1.045
110 HG2 PRO 18 HG2 PRO 17 33.006 4.761 -2.207
111 HG3 PRO 18 HG1 PRO 17 32.399 4.988 -0.555
112 HD2 PRO 18 HD2 PRO 17 34.112 3.020 -1.141
113 HD3 PRO 18 HD1 PRO 17 32.794 2.772 0.026
114 HA PRO 19 HA PRO 18 30.810 1.846 -6.589
115 HB2 PRO 19 HB2 PRO 18 28.200 1.905 -7.286
116 HB3 PRO 19 HB1 PRO 18 28.959 0.479 -6.570
117 HG2 PRO 19 HG2 PRO 18 27.254 2.569 -5.277
118 HG3 PRO 19 HG1 PRO 18 27.232 0.811 -5.053
119 HD2 PRO 19 HD2 PRO 18 28.445 2.533 -3.320
120 HD3 PRO 19 HD1 PRO 18 28.974 0.857 -3.562
121 H SER 20 HN SER 19 31.720 3.700 -7.330
122 HA SER 20 HA SER 19 29.917 5.838 -8.146
123 HB2 SER 20 HB2 SER 19 32.254 6.228 -6.279
124 HB3 SER 20 HB1 SER 19 31.634 7.542 -7.281
125 HG SER 20 HG SER 19 30.596 7.624 -5.311
126 HN1 NH2 21 H2 SER 19 30.360 6.416 -10.167
127 HN2 NH2 21 H1 SER 19 31.866 6.190 -10.983
Start of MODEL 22
1 H1 ACE 1 HA2 ALA 1 20.172 3.699 -7.540
2 H2 ACE 1 HA3 ALA 1 20.014 3.109 -5.879
3 H3 ACE 1 HA1 ALA 1 19.960 1.970 -7.232
4 H ALA 2 HN ALA 1 21.683 0.761 -6.417
5 HA ALA 2 HA ALA 1 23.852 0.080 -6.417
6 HB1 ALA 2 HB2 ALA 1 23.851 2.120 -8.333
7 HB2 ALA 2 HB3 ALA 1 25.071 0.871 -8.093
8 HB3 ALA 2 HB1 ALA 1 25.244 2.436 -7.300
9 H TYR 3 HN TYR 2 24.129 3.587 -5.726
10 HA TYR 3 HA TYR 2 25.971 3.231 -3.616
11 HB2 TYR 3 HB2 TYR 2 25.619 5.346 -4.940
12 HB3 TYR 3 HB1 TYR 2 24.141 5.605 -4.019
13 HD1 TYR 3 HD1 TYR 2 27.799 5.629 -3.910
14 HD2 TYR 3 HD2 TYR 2 24.231 6.231 -1.668
15 HE1 TYR 3 HE1 TYR 2 29.101 6.748 -2.151
16 HE2 TYR 3 HE2 TYR 2 25.528 7.354 0.097
17 HH TYR 3 HH TYR 2 28.267 8.660 -0.177
18 H ALA 4 HN ALA 3 22.447 3.611 -3.666
19 HA ALA 4 HA ALA 3 22.043 3.848 -0.896
20 HB1 ALA 4 HB1 ALA 3 20.283 4.391 -2.447
21 HB2 ALA 4 HB2 ALA 3 19.728 3.106 -1.374
22 HB3 ALA 4 HB3 ALA 3 20.225 2.726 -3.024
23 H GLN 5 HN GLN 4 22.249 1.000 -3.001
24 HA GLN 5 HA GLN 4 21.601 -0.928 -1.036
25 HB2 GLN 5 HB2 GLN 4 21.617 -1.328 -3.509
26 HB3 GLN 5 HB1 GLN 4 23.373 -1.304 -3.458
27 HG2 GLN 5 HG2 GLN 4 23.440 -3.435 -2.876
28 HG3 GLN 5 HG1 GLN 4 22.378 -3.142 -1.501
29 HE21 GLN 5 HE21 GLN 4 20.558 -4.249 -1.514
30 HE22 GLN 5 HE22 GLN 4 19.739 -4.848 -2.913
31 H TRP 6 HN TRP 5 24.637 0.563 -2.043
32 HA TRP 6 HA TRP 5 26.458 -1.035 -0.672
33 HB2 TRP 6 HB2 TRP 5 27.270 0.580 -2.240
34 HB3 TRP 6 HB1 TRP 5 26.510 1.904 -1.369
35 HD1 TRP 6 HD1 TRP 5 29.345 -0.687 -0.774
36 HE1 TRP 6 HE1 TRP 5 31.155 0.449 0.658
37 HE3 TRP 6 HE3 TRP 5 27.060 3.819 0.015
38 HZ2 TRP 6 HZ2 TRP 5 31.565 2.917 1.950
39 HZ3 TRP 6 HZ3 TRP 5 28.232 5.514 1.362
40 HH2 TRP 6 HH2 TRP 5 30.438 5.068 2.308
41 H LEU 7 HN LEU 6 24.601 1.775 0.450
42 HA LEU 7 HA LEU 6 25.747 1.926 3.032
43 HB2 LEU 7 HB2 LEU 6 23.087 2.860 1.961
44 HB3 LEU 7 HB1 LEU 6 23.634 3.192 3.592
45 HG LEU 7 HG LEU 6 25.101 4.077 1.108
46 HD11 LEU 7 HD11 LEU 6 23.356 5.490 0.926
47 HD12 LEU 7 HD12 LEU 6 24.195 6.353 2.216
48 HD13 LEU 7 HD13 LEU 6 22.858 5.269 2.603
49 HD21 LEU 7 HD21 LEU 6 25.418 4.858 4.005
50 HD22 LEU 7 HD22 LEU 6 26.329 5.517 2.647
51 HD23 LEU 7 HD23 LEU 6 26.513 3.820 3.092
52 H ALA 8 HN ALA 7 22.983 0.160 1.722
53 HA ALA 8 HA ALA 7 21.847 -0.725 4.124
54 HB1 ALA 8 HB1 ALA 7 20.645 -0.921 2.052
55 HB2 ALA 8 HB2 ALA 7 20.843 -2.529 2.749
56 HB3 ALA 8 HB3 ALA 7 21.861 -2.020 1.402
57 H ASP 9 HN ASP 8 24.548 -1.997 2.240
58 HA ASP 9 HA ASP 8 24.763 -4.444 3.703
59 HB2 ASP 9 HB2 ASP 8 27.004 -3.162 2.141
60 HB3 ASP 9 HB1 ASP 8 26.733 -4.871 2.456
61 H DAL 10 HN DAL 9 25.642 -1.225 4.432
62 HA DAL 10 HA DAL 9 27.552 -2.136 6.480
63 HB1 DAL 10 HB1 DAL 9 25.521 -1.762 7.638
64 HB2 DAL 10 HB2 DAL 9 25.246 -0.234 6.801
65 HB3 DAL 10 HB3 DAL 9 26.557 -0.375 7.972
66 H GLY 11 HN GLY 10 27.654 -0.612 3.735
67 HA2 GLY 11 HA2 GLY 10 28.853 1.114 2.816
68 HA3 GLY 11 HA1 GLY 10 28.582 2.001 4.306
69 HA PRO 12 HA PRO 11 33.085 1.610 4.440
70 HB2 PRO 12 HB2 PRO 11 32.740 3.172 6.925
71 HB3 PRO 12 HB1 PRO 11 33.710 3.532 5.494
72 HG2 PRO 12 HG2 PRO 11 31.458 4.878 6.031
73 HG3 PRO 12 HG1 PRO 11 31.934 4.488 4.367
74 HD2 PRO 12 HD2 PRO 11 29.890 3.170 6.113
75 HD3 PRO 12 HD1 PRO 11 29.818 3.549 4.379
76 H ALA 13 HN ALA 12 30.779 0.844 6.977
77 HA ALA 13 HA ALA 12 32.615 -0.329 8.795
78 HB1 ALA 13 HB1 ALA 12 30.447 -1.468 9.645
79 HB2 ALA 13 HB2 ALA 12 29.642 -0.403 8.493
80 HB3 ALA 13 HB3 ALA 12 30.622 0.281 9.789
81 H SER 14 HN SER 13 30.654 -1.668 6.153
82 HA SER 14 HA SER 13 31.252 -4.388 6.718
83 HB2 SER 14 HB2 SER 13 30.377 -4.836 4.448
84 HB3 SER 14 HB1 SER 13 29.307 -3.791 5.378
85 HG SER 14 HG SER 13 29.643 -3.043 3.226
86 H DAL 15 HN DAL 14 32.998 -1.878 5.074
87 HA DAL 15 HA DAL 14 35.250 -3.665 4.703
88 HB1 DAL 15 HB1 DAL 14 34.985 -0.699 4.212
89 HB2 DAL 15 HB2 DAL 14 36.482 -1.623 4.101
90 HB3 DAL 15 HB3 DAL 14 35.655 -1.468 5.651
91 H NVA 16 HN NVA 15 32.963 -1.854 2.728
92 HA NVA 16 HA NVA 15 34.101 -3.122 0.325
93 HB2 NVA 16 HB1 NVA 15 31.203 -2.591 1.012
94 HB3 NVA 16 HB2 NVA 15 31.981 -4.159 0.885
95 HG2 NVA 16 HG1 NVA 15 32.149 -2.501 -1.535
96 HG3 NVA 16 HG2 NVA 15 30.522 -3.018 -1.080
97 HD1 NVA 16 HD1 NVA 15 32.857 -4.631 -1.950
98 HD2 NVA 16 HD2 NVA 15 31.151 -4.791 -2.368
99 HD3 NVA 16 HD3 NVA 15 31.731 -5.348 -0.798
100 HA PRO 17 HA PRO 16 34.593 1.038 -1.138
101 HB2 PRO 17 HB2 PRO 16 34.943 0.506 -3.781
102 HB3 PRO 17 HB1 PRO 16 36.194 0.228 -2.565
103 HG2 PRO 17 HG2 PRO 16 34.301 -1.722 -3.819
104 HG3 PRO 17 HG1 PRO 16 36.028 -1.908 -3.459
105 HD2 PRO 17 HD2 PRO 16 34.085 -2.956 -1.888
106 HD3 PRO 17 HD1 PRO 16 35.642 -2.400 -1.242
107 HA PRO 18 HA PRO 17 30.318 1.985 -2.184
108 HB2 PRO 18 HB2 PRO 17 30.824 4.668 -2.654
109 HB3 PRO 18 HB1 PRO 17 30.453 3.970 -1.075
110 HG2 PRO 18 HG2 PRO 17 33.102 4.670 -2.266
111 HG3 PRO 18 HG1 PRO 17 32.529 4.874 -0.599
112 HD2 PRO 18 HD2 PRO 17 34.182 2.879 -1.264
113 HD3 PRO 18 HD1 PRO 17 32.888 2.642 -0.070
114 HA PRO 19 HA PRO 18 30.694 1.894 -6.631
115 HB2 PRO 19 HB2 PRO 18 28.075 1.904 -7.251
116 HB3 PRO 19 HB1 PRO 18 28.860 0.495 -6.530
117 HG2 PRO 19 HG2 PRO 18 27.163 2.588 -5.233
118 HG3 PRO 19 HG1 PRO 18 27.164 0.834 -4.981
119 HD2 PRO 19 HD2 PRO 18 28.410 2.619 -3.317
120 HD3 PRO 19 HD1 PRO 18 28.910 0.927 -3.504
121 H SER 20 HN SER 19 31.667 4.063 -6.609
122 HA SER 20 HA SER 19 29.931 5.982 -7.945
123 HB2 SER 20 HB2 SER 19 31.442 6.597 -5.399
124 HB3 SER 20 HB1 SER 19 30.859 7.848 -6.497
125 HG SER 20 HG SER 19 29.449 7.200 -4.668
126 HN1 NH2 21 H2 SER 19 30.948 6.904 -9.611
127 HN2 NH2 21 H1 SER 19 32.656 6.919 -9.866
Start of MODEL 23
1 H1 ACE 1 HA2 ALA 1 19.517 1.227 -6.994
2 H2 ACE 1 HA3 ALA 1 20.410 2.729 -7.269
3 H3 ACE 1 HA1 ALA 1 19.691 2.405 -5.686
4 H ALA 2 HN ALA 1 22.454 2.135 -7.614
5 HA ALA 2 HA ALA 1 23.697 -0.120 -6.426
6 HB1 ALA 2 HB2 ALA 1 25.258 2.182 -7.535
7 HB2 ALA 2 HB3 ALA 1 24.306 1.148 -8.602
8 HB3 ALA 2 HB1 ALA 1 25.600 0.454 -7.622
9 H TYR 3 HN TYR 2 24.122 3.379 -5.850
10 HA TYR 3 HA TYR 2 25.905 3.097 -3.685
11 HB2 TYR 3 HB2 TYR 2 25.534 5.187 -5.035
12 HB3 TYR 3 HB1 TYR 2 24.022 5.411 -4.162
13 HD1 TYR 3 HD1 TYR 2 27.673 5.531 -3.938
14 HD2 TYR 3 HD2 TYR 2 24.021 6.075 -1.820
15 HE1 TYR 3 HE1 TYR 2 28.890 6.708 -2.156
16 HE2 TYR 3 HE2 TYR 2 25.232 7.256 -0.031
17 HH TYR 3 HH TYR 2 27.804 8.658 -0.163
18 H ALA 4 HN ALA 3 22.379 3.365 -3.827
19 HA ALA 4 HA ALA 3 21.892 3.623 -1.074
20 HB1 ALA 4 HB1 ALA 3 20.165 4.071 -2.696
21 HB2 ALA 4 HB2 ALA 3 19.623 2.802 -1.599
22 HB3 ALA 4 HB3 ALA 3 20.174 2.388 -3.223
23 H GLN 5 HN GLN 4 22.301 0.756 -3.122
24 HA GLN 5 HA GLN 4 21.657 -1.170 -1.152
25 HB2 GLN 5 HB2 GLN 4 22.679 -1.161 -3.857
26 HB3 GLN 5 HB1 GLN 4 23.560 -2.322 -2.875
27 HG2 GLN 5 HG2 GLN 4 21.842 -3.604 -3.689
28 HG3 GLN 5 HG1 GLN 4 21.196 -3.093 -2.130
29 HE21 GLN 5 HE21 GLN 4 19.608 -1.453 -2.078
30 HE22 GLN 5 HE22 GLN 4 18.633 -1.113 -3.463
31 H TRP 6 HN TRP 5 24.665 0.426 -2.085
32 HA TRP 6 HA TRP 5 26.498 -1.065 -0.611
33 HB2 TRP 6 HB2 TRP 5 27.285 0.544 -2.206
34 HB3 TRP 6 HB1 TRP 5 26.464 1.859 -1.376
35 HD1 TRP 6 HD1 TRP 5 29.366 -0.626 -0.675
36 HE1 TRP 6 HE1 TRP 5 31.104 0.590 0.779
37 HE3 TRP 6 HE3 TRP 5 26.920 3.818 -0.024
38 HZ2 TRP 6 HZ2 TRP 5 31.403 3.097 2.036
39 HZ3 TRP 6 HZ3 TRP 5 28.005 5.574 1.320
40 HH2 TRP 6 HH2 TRP 5 30.201 5.216 2.326
41 H LEU 7 HN LEU 6 24.505 1.708 0.372
42 HA LEU 7 HA LEU 6 25.562 1.967 2.983
43 HB2 LEU 7 HB2 LEU 6 22.942 2.804 1.755
44 HB3 LEU 7 HB1 LEU 6 23.330 3.129 3.433
45 HG LEU 7 HG LEU 6 24.887 4.140 1.052
46 HD11 LEU 7 HD11 LEU 6 23.988 6.348 2.226
47 HD12 LEU 7 HD12 LEU 6 22.677 5.259 2.677
48 HD13 LEU 7 HD13 LEU 6 23.074 5.504 0.976
49 HD21 LEU 7 HD21 LEU 6 26.339 3.802 2.959
50 HD22 LEU 7 HD22 LEU 6 25.207 4.657 4.007
51 HD23 LEU 7 HD23 LEU 6 26.054 5.527 2.727
52 H ALA 8 HN ALA 7 22.961 0.014 1.629
53 HA ALA 8 HA ALA 7 21.718 -0.811 3.994
54 HB1 ALA 8 HB1 ALA 7 20.593 -2.381 2.717
55 HB2 ALA 8 HB2 ALA 7 21.967 -2.642 1.642
56 HB3 ALA 8 HB3 ALA 7 21.026 -1.156 1.525
57 H ASP 9 HN ASP 8 24.600 -2.062 2.367
58 HA ASP 9 HA ASP 8 24.824 -4.386 4.025
59 HB2 ASP 9 HB2 ASP 8 27.128 -3.164 2.519
60 HB3 ASP 9 HB1 ASP 8 26.835 -4.856 2.893
61 H DAL 10 HN DAL 9 25.529 -1.092 4.536
62 HA DAL 10 HA DAL 9 27.348 -1.756 6.754
63 HB1 DAL 10 HB1 DAL 9 25.700 -1.138 8.119
64 HB2 DAL 10 HB2 DAL 9 24.754 -0.445 6.801
65 HB3 DAL 10 HB3 DAL 9 26.015 0.511 7.581
66 H GLY 11 HN GLY 10 27.470 -0.409 3.862
67 HA2 GLY 11 HA2 GLY 10 28.682 1.257 2.858
68 HA3 GLY 11 HA1 GLY 10 28.409 2.225 4.298
69 HA PRO 12 HA PRO 11 32.903 1.822 4.506
70 HB2 PRO 12 HB2 PRO 11 32.538 3.445 6.949
71 HB3 PRO 12 HB1 PRO 11 33.525 3.768 5.520
72 HG2 PRO 12 HG2 PRO 11 31.271 5.132 6.000
73 HG3 PRO 12 HG1 PRO 11 31.767 4.702 4.352
74 HD2 PRO 12 HD2 PRO 11 29.697 3.434 6.104
75 HD3 PRO 12 HD1 PRO 11 29.648 3.769 4.360
76 H ALA 13 HN ALA 12 30.573 1.141 7.048
77 HA ALA 13 HA ALA 12 32.370 0.002 8.920
78 HB1 ALA 13 HB1 ALA 12 30.333 0.640 9.834
79 HB2 ALA 13 HB2 ALA 12 30.196 -1.117 9.760
80 HB3 ALA 13 HB3 ALA 12 29.401 -0.118 8.543
81 H SER 14 HN SER 13 30.505 -1.375 6.240
82 HA SER 14 HA SER 13 31.031 -4.092 6.852
83 HB2 SER 14 HB2 SER 13 30.220 -4.578 4.610
84 HB3 SER 14 HB1 SER 13 29.198 -3.347 5.350
85 HG SER 14 HG SER 13 29.893 -1.905 3.950
86 H DAL 15 HN DAL 14 32.880 -1.630 5.221
87 HA DAL 15 HA DAL 14 35.142 -3.448 5.032
88 HB1 DAL 15 HB1 DAL 14 34.952 -0.484 4.500
89 HB2 DAL 15 HB2 DAL 14 36.439 -1.432 4.504
90 HB3 DAL 15 HB3 DAL 14 35.509 -1.244 5.991
91 H NVA 16 HN NVA 15 33.012 -1.600 2.912
92 HA NVA 16 HA NVA 15 34.303 -2.842 0.572
93 HB2 NVA 16 HB1 NVA 15 31.342 -2.457 1.069
94 HB3 NVA 16 HB2 NVA 15 32.199 -3.990 1.059
95 HG2 NVA 16 HG1 NVA 15 32.331 -2.307 -1.389
96 HG3 NVA 16 HG2 NVA 15 30.824 -3.156 -1.030
97 HD1 NVA 16 HD1 NVA 15 33.549 -4.417 -1.293
98 HD2 NVA 16 HD2 NVA 15 32.246 -4.492 -2.479
99 HD3 NVA 16 HD3 NVA 15 32.054 -5.269 -0.908
100 HA PRO 17 HA PRO 16 34.601 1.364 -0.826
101 HB2 PRO 17 HB2 PRO 16 35.171 0.896 -3.439
102 HB3 PRO 17 HB1 PRO 16 36.350 0.667 -2.143
103 HG2 PRO 17 HG2 PRO 16 34.654 -1.367 -3.540
104 HG3 PRO 17 HG1 PRO 16 36.367 -1.458 -3.091
105 HD2 PRO 17 HD2 PRO 16 34.417 -2.648 -1.640
106 HD3 PRO 17 HD1 PRO 16 35.894 -2.000 -0.901
107 HA PRO 18 HA PRO 17 30.343 2.030 -2.101
108 HB2 PRO 18 HB2 PRO 17 30.731 4.725 -2.662
109 HB3 PRO 18 HB1 PRO 17 30.292 4.061 -1.086
110 HG2 PRO 18 HG2 PRO 17 32.972 4.868 -2.126
111 HG3 PRO 18 HG1 PRO 17 32.285 5.084 -0.506
112 HD2 PRO 18 HD2 PRO 17 34.082 3.170 -0.998
113 HD3 PRO 18 HD1 PRO 17 32.720 2.883 0.106
114 HA PRO 19 HA PRO 18 30.579 1.469 -6.502
115 HB2 PRO 19 HB2 PRO 18 27.947 2.868 -6.459
116 HB3 PRO 19 HB1 PRO 18 28.390 1.321 -7.189
117 HG2 PRO 19 HG2 PRO 18 26.988 1.406 -4.927
118 HG3 PRO 19 HG1 PRO 18 28.244 0.179 -5.178
119 HD2 PRO 19 HD2 PRO 18 28.315 2.652 -3.511
120 HD3 PRO 19 HD1 PRO 18 29.049 1.066 -3.212
121 H SER 20 HN SER 19 31.837 2.719 -7.729
122 HA SER 20 HA SER 19 31.012 5.464 -8.287
123 HB2 SER 20 HB2 SER 19 33.624 4.662 -7.043
124 HB3 SER 20 HB1 SER 19 33.552 6.070 -8.102
125 HG SER 20 HG SER 19 32.550 7.142 -6.591
126 HN1 NH2 21 H2 SER 19 30.455 3.882 -10.153
127 HN2 NH2 21 H1 SER 19 31.635 3.774 -11.410
Start of MODEL 24
1 H1 ACE 1 HA2 ALA 1 19.790 1.045 -7.254
2 H2 ACE 1 HA3 ALA 1 20.529 2.645 -7.097
3 H3 ACE 1 HA1 ALA 1 19.718 1.904 -5.709
4 H ALA 2 HN ALA 1 22.629 2.179 -7.498
5 HA ALA 2 HA ALA 1 23.945 -0.118 -6.399
6 HB1 ALA 2 HB2 ALA 1 24.878 0.506 -8.412
7 HB2 ALA 2 HB3 ALA 1 26.019 1.206 -7.263
8 HB3 ALA 2 HB1 ALA 1 24.806 2.227 -8.035
9 H TYR 3 HN TYR 2 24.306 3.397 -5.848
10 HA TYR 3 HA TYR 2 26.070 3.134 -3.654
11 HB2 TYR 3 HB2 TYR 2 25.743 5.206 -5.052
12 HB3 TYR 3 HB1 TYR 2 24.221 5.463 -4.206
13 HD1 TYR 3 HD1 TYR 2 27.862 5.602 -3.958
14 HD2 TYR 3 HD2 TYR 2 24.201 6.109 -1.846
15 HE1 TYR 3 HE1 TYR 2 29.063 6.795 -2.174
16 HE2 TYR 3 HE2 TYR 2 25.396 7.304 -0.058
17 HH TYR 3 HH TYR 2 27.976 8.728 -0.196
18 H ALA 4 HN ALA 3 22.548 3.431 -3.872
19 HA ALA 4 HA ALA 3 22.011 3.749 -1.132
20 HB1 ALA 4 HB1 ALA 3 20.332 4.195 -2.820
21 HB2 ALA 4 HB2 ALA 3 19.737 2.987 -1.681
22 HB3 ALA 4 HB3 ALA 3 20.302 2.492 -3.277
23 H GLN 5 HN GLN 4 22.382 0.842 -3.129
24 HA GLN 5 HA GLN 4 21.682 -1.030 -1.116
25 HB2 GLN 5 HB2 GLN 4 22.854 -1.114 -3.810
26 HB3 GLN 5 HB1 GLN 4 23.413 -2.400 -2.752
27 HG2 GLN 5 HG2 GLN 4 21.105 -3.061 -2.324
28 HG3 GLN 5 HG1 GLN 4 20.537 -1.764 -3.374
29 HE21 GLN 5 HE21 GLN 4 21.355 -4.989 -3.212
30 HE22 GLN 5 HE22 GLN 4 21.513 -5.312 -4.901
31 H TRP 6 HN TRP 5 24.723 0.472 -2.086
32 HA TRP 6 HA TRP 5 26.532 -1.061 -0.632
33 HB2 TRP 6 HB2 TRP 5 27.363 0.529 -2.209
34 HB3 TRP 6 HB1 TRP 5 26.552 1.861 -1.399
35 HD1 TRP 6 HD1 TRP 5 29.432 -0.641 -0.677
36 HE1 TRP 6 HE1 TRP 5 31.173 0.564 0.782
37 HE3 TRP 6 HE3 TRP 5 27.007 3.812 -0.019
38 HZ2 TRP 6 HZ2 TRP 5 31.484 3.062 2.042
39 HZ3 TRP 6 HZ3 TRP 5 28.100 5.559 1.329
40 HH2 TRP 6 HH2 TRP 5 30.292 5.187 2.337
41 H LEU 7 HN LEU 6 24.573 1.715 0.384
42 HA LEU 7 HA LEU 6 25.651 1.951 2.991
43 HB2 LEU 7 HB2 LEU 6 23.004 2.801 1.824
44 HB3 LEU 7 HB1 LEU 6 23.487 3.172 3.467
45 HG LEU 7 HG LEU 6 25.009 4.053 1.016
46 HD11 LEU 7 HD11 LEU 6 24.031 6.326 2.043
47 HD12 LEU 7 HD12 LEU 6 22.714 5.227 2.457
48 HD13 LEU 7 HD13 LEU 6 23.216 5.407 0.776
49 HD21 LEU 7 HD21 LEU 6 25.224 4.943 3.890
50 HD22 LEU 7 HD22 LEU 6 26.210 5.494 2.535
51 HD23 LEU 7 HD23 LEU 6 26.333 3.826 3.096
52 H ALA 8 HN ALA 7 22.997 0.062 1.639
53 HA ALA 8 HA ALA 7 21.779 -0.780 4.012
54 HB1 ALA 8 HB1 ALA 7 20.544 -2.200 2.717
55 HB2 ALA 8 HB2 ALA 7 21.915 -2.651 1.703
56 HB3 ALA 8 HB3 ALA 7 21.127 -1.089 1.478
57 H ASP 9 HN ASP 8 24.603 -2.050 2.304
58 HA ASP 9 HA ASP 8 24.825 -4.418 3.890
59 HB2 ASP 9 HB2 ASP 8 27.107 -3.135 2.391
60 HB3 ASP 9 HB1 ASP 8 26.861 -4.837 2.758
61 H DAL 10 HN DAL 9 25.559 -1.144 4.509
62 HA DAL 10 HA DAL 9 27.375 -1.894 6.703
63 HB1 DAL 10 HB1 DAL 9 25.054 -1.413 7.463
64 HB2 DAL 10 HB2 DAL 9 25.248 0.232 6.858
65 HB3 DAL 10 HB3 DAL 9 26.277 -0.354 8.164
66 H GLY 11 HN GLY 10 27.500 -0.444 3.858
67 HA2 GLY 11 HA2 GLY 10 28.717 1.250 2.911
68 HA3 GLY 11 HA1 GLY 10 28.449 2.168 4.383
69 HA PRO 12 HA PRO 11 32.950 1.749 4.516
70 HB2 PRO 12 HB2 PRO 11 32.617 3.383 6.957
71 HB3 PRO 12 HB1 PRO 11 33.593 3.694 5.517
72 HG2 PRO 12 HG2 PRO 11 31.353 5.075 6.008
73 HG3 PRO 12 HG1 PRO 11 31.827 4.630 4.359
74 HD2 PRO 12 HD2 PRO 11 29.771 3.383 6.145
75 HD3 PRO 12 HD1 PRO 11 29.701 3.711 4.401
76 H ALA 13 HN ALA 12 30.643 1.072 7.075
77 HA ALA 13 HA ALA 12 32.479 -0.063 8.919
78 HB1 ALA 13 HB1 ALA 12 30.124 0.808 9.379
79 HB2 ALA 13 HB2 ALA 12 30.625 -0.666 10.207
80 HB3 ALA 13 HB3 ALA 12 29.564 -0.761 8.803
81 H SER 14 HN SER 13 30.552 -1.427 6.280
82 HA SER 14 HA SER 13 31.024 -4.148 6.943
83 HB2 SER 14 HB2 SER 13 30.177 -4.654 4.708
84 HB3 SER 14 HB1 SER 13 29.168 -3.433 5.478
85 HG SER 14 HG SER 13 29.832 -1.971 4.074
86 H DAL 15 HN DAL 14 32.901 -1.753 5.252
87 HA DAL 15 HA DAL 14 35.101 -3.646 5.020
88 HB1 DAL 15 HB1 DAL 14 35.507 -1.430 6.001
89 HB2 DAL 15 HB2 DAL 14 35.048 -0.679 4.474
90 HB3 DAL 15 HB3 DAL 14 36.482 -1.701 4.557
91 H NVA 16 HN NVA 15 32.975 -1.729 2.972
92 HA NVA 16 HA NVA 15 34.195 -2.965 0.593
93 HB2 NVA 16 HB1 NVA 15 31.254 -2.483 1.121
94 HB3 NVA 16 HB2 NVA 15 32.057 -4.045 1.145
95 HG2 NVA 16 HG1 NVA 15 32.205 -2.399 -1.333
96 HG3 NVA 16 HG2 NVA 15 30.708 -3.259 -0.955
97 HD1 NVA 16 HD1 NVA 15 31.616 -5.282 -1.360
98 HD2 NVA 16 HD2 NVA 15 33.190 -4.826 -0.708
99 HD3 NVA 16 HD3 NVA 15 32.738 -4.342 -2.342
100 HA PRO 17 HA PRO 16 34.557 1.243 -0.778
101 HB2 PRO 17 HB2 PRO 16 35.112 0.782 -3.392
102 HB3 PRO 17 HB1 PRO 16 36.288 0.517 -2.099
103 HG2 PRO 17 HG2 PRO 16 34.561 -1.464 -3.529
104 HG3 PRO 17 HG1 PRO 16 36.264 -1.599 -3.053
105 HD2 PRO 17 HD2 PRO 16 34.238 -2.746 -1.652
106 HD3 PRO 17 HD1 PRO 16 35.742 -2.190 -0.894
107 HA PRO 18 HA PRO 17 30.352 2.056 -2.126
108 HB2 PRO 18 HB2 PRO 17 30.804 4.734 -2.658
109 HB3 PRO 18 HB1 PRO 17 30.384 4.079 -1.073
110 HG2 PRO 18 HG2 PRO 17 33.064 4.809 -2.174
111 HG3 PRO 18 HG1 PRO 17 32.411 5.066 -0.545
112 HD2 PRO 18 HD2 PRO 17 34.142 3.090 -1.047
113 HD3 PRO 18 HD1 PRO 17 32.796 2.866 0.092
114 HA PRO 19 HA PRO 18 30.965 1.706 -6.533
115 HB2 PRO 19 HB2 PRO 18 28.368 1.884 -7.299
116 HB3 PRO 19 HB1 PRO 18 29.055 0.432 -6.566
117 HG2 PRO 19 HG2 PRO 18 27.425 2.600 -5.303
118 HG3 PRO 19 HG1 PRO 18 27.312 0.843 -5.086
119 HD2 PRO 19 HD2 PRO 18 28.557 2.461 -3.307
120 HD3 PRO 19 HD1 PRO 18 29.070 0.788 -3.599
121 H SER 20 HN SER 19 31.607 3.221 -7.921
122 HA SER 20 HA SER 19 30.106 5.737 -8.110
123 HB2 SER 20 HB2 SER 19 33.125 5.548 -7.924
124 HB3 SER 20 HB1 SER 19 32.198 7.025 -8.180
125 HG SER 20 HG SER 19 32.547 5.516 -5.870
126 HN1 NH2 21 H2 SER 19 29.547 3.966 -9.919
127 HN2 NH2 21 H1 SER 19 30.362 4.236 -11.419
Start of MODEL 25
1 H1 ACE 1 HA2 ALA 1 19.207 0.461 -6.297
2 H2 ACE 1 HA3 ALA 1 19.835 1.593 -7.501
3 H3 ACE 1 HA1 ALA 1 19.745 2.071 -5.800
4 H ALA 2 HN ALA 1 22.111 2.304 -7.180
5 HA ALA 2 HA ALA 1 23.745 -0.022 -6.549
6 HB1 ALA 2 HB2 ALA 1 25.463 1.964 -7.407
7 HB2 ALA 2 HB3 ALA 1 23.981 2.278 -8.309
8 HB3 ALA 2 HB1 ALA 1 24.752 0.696 -8.405
9 H TYR 3 HN TYR 2 23.933 3.479 -5.829
10 HA TYR 3 HA TYR 2 25.812 3.156 -3.729
11 HB2 TYR 3 HB2 TYR 2 25.436 5.271 -5.043
12 HB3 TYR 3 HB1 TYR 2 23.942 5.496 -4.139
13 HD1 TYR 3 HD1 TYR 2 27.587 5.648 -4.015
14 HD2 TYR 3 HD2 TYR 2 24.004 6.055 -1.754
15 HE1 TYR 3 HE1 TYR 2 28.847 6.781 -2.234
16 HE2 TYR 3 HE2 TYR 2 25.258 7.193 0.031
17 HH TYR 3 HH TYR 2 27.810 8.639 -0.141
18 H ALA 4 HN ALA 3 22.284 3.472 -3.791
19 HA ALA 4 HA ALA 3 21.850 3.713 -1.034
20 HB1 ALA 4 HB1 ALA 3 20.057 2.421 -3.088
21 HB2 ALA 4 HB2 ALA 3 20.120 4.143 -2.709
22 HB3 ALA 4 HB3 ALA 3 19.568 2.993 -1.492
23 H GLN 5 HN GLN 4 22.201 0.841 -3.086
24 HA GLN 5 HA GLN 4 21.589 -1.068 -1.084
25 HB2 GLN 5 HB2 GLN 4 21.645 -1.472 -3.580
26 HB3 GLN 5 HB1 GLN 4 23.399 -1.494 -3.466
27 HG2 GLN 5 HG2 GLN 4 22.619 -3.743 -3.473
28 HG3 GLN 5 HG1 GLN 4 23.215 -3.374 -1.856
29 HE21 GLN 5 HE21 GLN 4 20.377 -3.939 -3.811
30 HE22 GLN 5 HE22 GLN 4 19.293 -4.237 -2.498
31 H TRP 6 HN TRP 5 24.571 0.528 -2.078
32 HA TRP 6 HA TRP 5 26.439 -1.020 -0.704
33 HB2 TRP 6 HB2 TRP 5 27.203 0.618 -2.272
34 HB3 TRP 6 HB1 TRP 5 26.412 1.921 -1.396
35 HD1 TRP 6 HD1 TRP 5 29.314 -0.593 -0.837
36 HE1 TRP 6 HE1 TRP 5 31.094 0.569 0.609
37 HE3 TRP 6 HE3 TRP 5 26.901 3.830 0.031
38 HZ2 TRP 6 HZ2 TRP 5 31.436 3.024 1.942
39 HZ3 TRP 6 HZ3 TRP 5 28.028 5.536 1.403
40 HH2 TRP 6 HH2 TRP 5 30.250 5.136 2.337
41 H LEU 7 HN LEU 6 24.480 1.720 0.408
42 HA LEU 7 HA LEU 6 25.616 1.920 2.993
43 HB2 LEU 7 HB2 LEU 6 22.951 2.772 1.873
44 HB3 LEU 7 HB1 LEU 6 23.415 3.081 3.535
45 HG LEU 7 HG LEU 6 24.906 4.097 1.116
46 HD11 LEU 7 HD11 LEU 6 22.707 5.224 2.761
47 HD12 LEU 7 HD12 LEU 6 23.046 5.409 1.041
48 HD13 LEU 7 HD13 LEU 6 23.989 6.312 2.228
49 HD21 LEU 7 HD21 LEU 6 26.353 3.787 3.049
50 HD22 LEU 7 HD22 LEU 6 25.226 4.694 4.057
51 HD23 LEU 7 HD23 LEU 6 26.084 5.504 2.748
52 H ALA 8 HN ALA 7 22.967 0.002 1.674
53 HA ALA 8 HA ALA 7 21.813 -0.891 4.061
54 HB1 ALA 8 HB1 ALA 7 20.421 -1.680 2.518
55 HB2 ALA 8 HB2 ALA 7 21.555 -3.006 2.268
56 HB3 ALA 8 HB3 ALA 7 21.648 -1.564 1.258
57 H ASP 9 HN ASP 8 24.643 -2.058 2.301
58 HA ASP 9 HA ASP 8 24.940 -4.452 3.834
59 HB2 ASP 9 HB2 ASP 8 27.171 -3.092 2.328
60 HB3 ASP 9 HB1 ASP 8 26.964 -4.806 2.660
61 H DAL 10 HN DAL 9 25.615 -1.174 4.511
62 HA DAL 10 HA DAL 9 27.463 -1.941 6.674
63 HB1 DAL 10 HB1 DAL 9 25.417 0.241 6.933
64 HB2 DAL 10 HB2 DAL 9 26.350 -0.551 8.203
65 HB3 DAL 10 HB3 DAL 9 25.074 -1.435 7.367
66 H GLY 11 HN GLY 10 27.550 -0.441 3.853
67 HA2 GLY 11 HA2 GLY 10 28.741 1.285 2.926
68 HA3 GLY 11 HA1 GLY 10 28.507 2.163 4.429
69 HA PRO 12 HA PRO 11 33.013 1.713 4.406
70 HB2 PRO 12 HB2 PRO 11 32.785 3.404 6.816
71 HB3 PRO 12 HB1 PRO 11 33.704 3.675 5.332
72 HG2 PRO 12 HG2 PRO 11 31.492 5.084 5.885
73 HG3 PRO 12 HG1 PRO 11 31.902 4.608 4.227
74 HD2 PRO 12 HD2 PRO 11 29.905 3.405 6.108
75 HD3 PRO 12 HD1 PRO 11 29.773 3.705 4.363
76 H ALA 13 HN ALA 12 30.786 1.117 7.058
77 HA ALA 13 HA ALA 12 32.654 0.032 8.886
78 HB1 ALA 13 HB1 ALA 12 30.491 -1.074 9.820
79 HB2 ALA 13 HB2 ALA 12 29.680 -0.033 8.651
80 HB3 ALA 13 HB3 ALA 12 30.695 0.675 9.907
81 H SER 14 HN SER 13 30.642 -1.450 6.365
82 HA SER 14 HA SER 13 31.233 -4.135 7.065
83 HB2 SER 14 HB2 SER 13 30.353 -4.695 4.820
84 HB3 SER 14 HB1 SER 13 29.291 -3.599 5.699
85 HG SER 14 HG SER 13 29.753 -3.067 3.429
86 H DAL 15 HN DAL 14 32.979 -1.738 5.249
87 HA DAL 15 HA DAL 14 35.189 -3.610 4.926
88 HB1 DAL 15 HB1 DAL 14 36.530 -1.646 4.398
89 HB2 DAL 15 HB2 DAL 14 35.635 -1.405 5.899
90 HB3 DAL 15 HB3 DAL 14 35.081 -0.639 4.410
91 H NVA 16 HN NVA 15 32.977 -1.684 2.973
92 HA NVA 16 HA NVA 15 34.090 -2.928 0.546
93 HB2 NVA 16 HB1 NVA 15 31.183 -2.430 1.224
94 HB3 NVA 16 HB2 NVA 15 31.976 -3.994 1.136
95 HG2 NVA 16 HG1 NVA 15 32.071 -2.300 -1.293
96 HG3 NVA 16 HG2 NVA 15 30.517 -3.018 -0.856
97 HD1 NVA 16 HD1 NVA 15 31.954 -5.196 -0.604
98 HD2 NVA 16 HD2 NVA 15 33.054 -4.338 -1.683
99 HD3 NVA 16 HD3 NVA 15 31.396 -4.661 -2.189
100 HA PRO 17 HA PRO 16 34.458 1.292 -0.801
101 HB2 PRO 17 HB2 PRO 16 35.048 0.836 -3.402
102 HB3 PRO 17 HB1 PRO 16 36.206 0.546 -2.098
103 HG2 PRO 17 HG2 PRO 16 34.463 -1.405 -3.552
104 HG3 PRO 17 HG1 PRO 16 36.165 -1.561 -3.081
105 HD2 PRO 17 HD2 PRO 16 34.135 -2.697 -1.678
106 HD3 PRO 17 HD1 PRO 16 35.644 -2.153 -0.922
107 HA PRO 18 HA PRO 17 30.246 2.056 -2.166
108 HB2 PRO 18 HB2 PRO 17 30.657 4.743 -2.677
109 HB3 PRO 18 HB1 PRO 17 30.244 4.068 -1.099
110 HG2 PRO 18 HG2 PRO 17 32.918 4.842 -2.190
111 HG3 PRO 18 HG1 PRO 17 32.257 5.089 -0.562
112 HD2 PRO 18 HD2 PRO 17 34.014 3.136 -1.059
113 HD3 PRO 18 HD1 PRO 17 32.664 2.887 0.069
114 HA PRO 19 HA PRO 18 30.530 1.589 -6.573
115 HB2 PRO 19 HB2 PRO 18 27.968 3.112 -6.567
116 HB3 PRO 19 HB1 PRO 18 28.350 1.553 -7.306
117 HG2 PRO 19 HG2 PRO 18 26.903 1.683 -5.075
118 HG3 PRO 19 HG1 PRO 18 28.098 0.396 -5.315
119 HD2 PRO 19 HD2 PRO 18 28.259 2.841 -3.612
120 HD3 PRO 19 HD1 PRO 18 28.902 1.213 -3.318
121 H SER 20 HN SER 19 31.930 2.815 -7.670
122 HA SER 20 HA SER 19 31.727 5.729 -7.566
123 HB2 SER 20 HB2 SER 19 33.876 3.933 -8.720
124 HB3 SER 20 HB1 SER 19 33.946 5.696 -8.676
125 HG SER 20 HG SER 19 34.917 4.263 -6.877
126 HN1 NH2 21 H2 SER 19 31.157 6.975 -9.261
127 HN2 NH2 21 H1 SER 19 30.737 6.383 -10.829
Start of MODEL 26
1 H1 ACE 1 HA2 ALA 1 19.653 1.172 -6.914
2 H2 ACE 1 HA3 ALA 1 20.571 2.636 -7.293
3 H3 ACE 1 HA1 ALA 1 19.858 2.431 -5.688
4 H ALA 2 HN ALA 1 22.612 2.006 -7.594
5 HA ALA 2 HA ALA 1 23.815 -0.200 -6.279
6 HB1 ALA 2 HB2 ALA 1 24.962 2.051 -7.912
7 HB2 ALA 2 HB3 ALA 1 24.664 0.385 -8.409
8 HB3 ALA 2 HB1 ALA 1 25.946 0.745 -7.251
9 H TYR 3 HN TYR 2 24.270 3.322 -5.890
10 HA TYR 3 HA TYR 2 26.081 3.129 -3.729
11 HB2 TYR 3 HB2 TYR 2 25.696 5.152 -5.200
12 HB3 TYR 3 HB1 TYR 2 24.223 5.447 -4.283
13 HD1 TYR 3 HD1 TYR 2 27.867 5.600 -4.251
14 HD2 TYR 3 HD2 TYR 2 24.338 6.134 -1.929
15 HE1 TYR 3 HE1 TYR 2 29.165 6.844 -2.575
16 HE2 TYR 3 HE2 TYR 2 25.634 7.381 -0.247
17 HH TYR 3 HH TYR 2 28.721 7.267 0.156
18 H ALA 4 HN ALA 3 22.555 3.447 -3.866
19 HA ALA 4 HA ALA 3 22.105 3.831 -1.115
20 HB1 ALA 4 HB1 ALA 3 20.326 2.623 -3.228
21 HB2 ALA 4 HB2 ALA 3 20.375 4.309 -2.710
22 HB3 ALA 4 HB3 ALA 3 19.798 3.062 -1.603
23 H GLN 5 HN GLN 4 22.322 0.881 -3.080
24 HA GLN 5 HA GLN 4 21.637 -0.946 -1.036
25 HB2 GLN 5 HB2 GLN 4 21.683 -1.466 -3.486
26 HB3 GLN 5 HB1 GLN 4 23.439 -1.448 -3.413
27 HG2 GLN 5 HG2 GLN 4 23.347 -3.613 -2.962
28 HG3 GLN 5 HG1 GLN 4 22.685 -3.186 -1.385
29 HE21 GLN 5 HE21 GLN 4 22.176 -4.938 -4.160
30 HE22 GLN 5 HE22 GLN 4 20.480 -5.219 -3.997
31 H TRP 6 HN TRP 5 24.687 0.501 -2.045
32 HA TRP 6 HA TRP 5 26.496 -1.047 -0.611
33 HB2 TRP 6 HB2 TRP 5 27.320 0.545 -2.193
34 HB3 TRP 6 HB1 TRP 5 26.535 1.880 -1.360
35 HD1 TRP 6 HD1 TRP 5 29.383 -0.672 -0.669
36 HE1 TRP 6 HE1 TRP 5 31.158 0.507 0.770
37 HE3 TRP 6 HE3 TRP 5 27.045 3.826 -0.008
38 HZ2 TRP 6 HZ2 TRP 5 31.524 3.005 2.019
39 HZ3 TRP 6 HZ3 TRP 5 28.178 5.558 1.324
40 HH2 TRP 6 HH2 TRP 5 30.373 5.151 2.316
41 H LEU 7 HN LEU 6 24.601 1.769 0.439
42 HA LEU 7 HA LEU 6 25.705 1.966 3.036
43 HB2 LEU 7 HB2 LEU 6 23.066 2.863 1.892
44 HB3 LEU 7 HB1 LEU 6 23.544 3.196 3.545
45 HG LEU 7 HG LEU 6 25.045 4.126 1.097
46 HD11 LEU 7 HD11 LEU 6 22.675 5.091 1.769
47 HD12 LEU 7 HD12 LEU 6 23.982 6.135 1.215
48 HD13 LEU 7 HD13 LEU 6 23.646 5.986 2.939
49 HD21 LEU 7 HD21 LEU 6 25.407 4.747 4.028
50 HD22 LEU 7 HD22 LEU 6 26.259 5.543 2.705
51 HD23 LEU 7 HD23 LEU 6 26.509 3.824 3.006
52 H ALA 8 HN ALA 7 22.990 0.143 1.709
53 HA ALA 8 HA ALA 7 21.825 -0.724 4.105
54 HB1 ALA 8 HB1 ALA 7 20.516 -2.089 2.819
55 HB2 ALA 8 HB2 ALA 7 21.843 -2.541 1.749
56 HB3 ALA 8 HB3 ALA 7 21.080 -0.959 1.588
57 H ASP 9 HN ASP 8 24.561 -1.999 2.268
58 HA ASP 9 HA ASP 8 24.799 -4.413 3.776
59 HB2 ASP 9 HB2 ASP 8 27.031 -3.105 2.219
60 HB3 ASP 9 HB1 ASP 8 26.810 -4.814 2.575
61 H DAL 10 HN DAL 9 25.610 -1.170 4.467
62 HA DAL 10 HA DAL 9 27.489 -2.015 6.571
63 HB1 DAL 10 HB1 DAL 9 24.899 -0.839 6.860
64 HB2 DAL 10 HB2 DAL 9 26.121 0.261 7.496
65 HB3 DAL 10 HB3 DAL 9 26.018 -1.391 8.107
66 H GLY 11 HN GLY 10 27.575 -0.504 3.785
67 HA2 GLY 11 HA2 GLY 10 28.809 1.190 2.854
68 HA3 GLY 11 HA1 GLY 10 28.503 2.107 4.321
69 HA PRO 12 HA PRO 11 33.007 1.741 4.544
70 HB2 PRO 12 HB2 PRO 11 32.609 3.373 6.976
71 HB3 PRO 12 HB1 PRO 11 33.604 3.696 5.552
72 HG2 PRO 12 HG2 PRO 11 31.337 5.046 6.008
73 HG3 PRO 12 HG1 PRO 11 31.846 4.613 4.366
74 HD2 PRO 12 HD2 PRO 11 29.775 3.334 6.111
75 HD3 PRO 12 HD1 PRO 11 29.734 3.665 4.367
76 H ALA 13 HN ALA 12 30.649 1.031 7.048
77 HA ALA 13 HA ALA 12 32.454 -0.072 8.942
78 HB1 ALA 13 HB1 ALA 12 30.254 0.723 9.597
79 HB2 ALA 13 HB2 ALA 12 30.460 -0.973 10.034
80 HB3 ALA 13 HB3 ALA 12 29.492 -0.536 8.625
81 H SER 14 HN SER 13 30.617 -1.483 6.258
82 HA SER 14 HA SER 13 31.200 -4.187 6.953
83 HB2 SER 14 HB2 SER 13 30.397 -4.705 4.649
84 HB3 SER 14 HB1 SER 13 29.273 -3.714 5.574
85 HG SER 14 HG SER 13 30.890 -3.012 3.395
86 H DAL 15 HN DAL 14 32.958 -1.717 5.274
87 HA DAL 15 HA DAL 14 35.224 -3.503 4.988
88 HB1 DAL 15 HB1 DAL 14 36.457 -1.463 4.358
89 HB2 DAL 15 HB2 DAL 14 35.617 -1.296 5.899
90 HB3 DAL 15 HB3 DAL 14 34.952 -0.547 4.447
91 H NVA 16 HN NVA 15 33.030 -1.665 2.914
92 HA NVA 16 HA NVA 15 34.221 -2.978 0.561
93 HB2 NVA 16 HB1 NVA 15 31.294 -2.523 1.172
94 HB3 NVA 16 HB2 NVA 15 32.121 -4.070 1.086
95 HG2 NVA 16 HG1 NVA 15 32.622 -3.465 -1.349
96 HG3 NVA 16 HG2 NVA 15 31.391 -2.212 -1.151
97 HD1 NVA 16 HD1 NVA 15 30.553 -4.838 -0.192
98 HD2 NVA 16 HD2 NVA 15 30.922 -4.795 -1.916
99 HD3 NVA 16 HD3 NVA 15 29.721 -3.693 -1.244
100 HA PRO 17 HA PRO 16 34.624 1.183 -0.933
101 HB2 PRO 17 HB2 PRO 16 35.083 0.632 -3.556
102 HB3 PRO 17 HB1 PRO 16 36.300 0.413 -2.295
103 HG2 PRO 17 HG2 PRO 16 34.521 -1.617 -3.586
104 HG3 PRO 17 HG1 PRO 16 36.240 -1.739 -3.166
105 HD2 PRO 17 HD2 PRO 16 34.285 -2.836 -1.647
106 HD3 PRO 17 HD1 PRO 16 35.798 -2.217 -0.958
107 HA PRO 18 HA PRO 17 30.361 1.991 -2.127
108 HB2 PRO 18 HB2 PRO 17 30.832 4.666 -2.697
109 HB3 PRO 18 HB1 PRO 17 30.409 4.023 -1.108
110 HG2 PRO 18 HG2 PRO 17 33.089 4.734 -2.219
111 HG3 PRO 18 HG1 PRO 17 32.449 4.980 -0.583
112 HD2 PRO 18 HD2 PRO 17 34.167 3.000 -1.113
113 HD3 PRO 18 HD1 PRO 17 32.828 2.771 0.032
114 HA PRO 19 HA PRO 18 30.854 1.738 -6.555
115 HB2 PRO 19 HB2 PRO 18 28.256 1.575 -7.226
116 HB3 PRO 19 HB1 PRO 18 29.099 0.244 -6.424
117 HG2 PRO 19 HG2 PRO 18 27.252 2.287 -5.265
118 HG3 PRO 19 HG1 PRO 18 27.359 0.552 -4.924
119 HD2 PRO 19 HD2 PRO 18 28.459 2.512 -3.339
120 HD3 PRO 19 HD1 PRO 18 29.041 0.838 -3.402
121 H SER 20 HN SER 19 31.475 3.479 -7.672
122 HA SER 20 HA SER 19 29.535 5.568 -8.256
123 HB2 SER 20 HB2 SER 19 32.121 6.051 -6.792
124 HB3 SER 20 HB1 SER 19 31.387 7.313 -7.781
125 HG SER 20 HG SER 19 30.478 6.152 -5.399
126 HN1 NH2 21 H2 SER 19 33.015 4.868 -8.650
127 HN2 NH2 21 H1 SER 19 33.035 5.083 -10.364
Start of MODEL 27
1 H1 ACE 1 HA2 ALA 1 20.205 2.433 -7.946
2 H2 ACE 1 HA3 ALA 1 20.151 3.264 -6.386
3 H3 ACE 1 HA1 ALA 1 20.101 1.496 -6.449
4 H ALA 2 HN ALA 1 21.962 0.376 -6.456
5 HA ALA 2 HA ALA 1 24.179 -0.123 -6.463
6 HB1 ALA 2 HB2 ALA 1 24.005 1.936 -8.373
7 HB2 ALA 2 HB3 ALA 1 25.288 0.744 -8.174
8 HB3 ALA 2 HB1 ALA 1 25.402 2.304 -7.361
9 H TYR 3 HN TYR 2 24.198 3.399 -5.811
10 HA TYR 3 HA TYR 2 26.018 3.139 -3.644
11 HB2 TYR 3 HB2 TYR 2 25.710 5.197 -5.069
12 HB3 TYR 3 HB1 TYR 2 24.203 5.489 -4.207
13 HD1 TYR 3 HD1 TYR 2 27.838 5.628 -4.038
14 HD2 TYR 3 HD2 TYR 2 24.235 6.100 -1.823
15 HE1 TYR 3 HE1 TYR 2 29.081 6.816 -2.280
16 HE2 TYR 3 HE2 TYR 2 25.471 7.290 -0.061
17 HH TYR 3 HH TYR 2 28.048 8.731 -0.269
18 H ALA 4 HN ALA 3 22.498 3.508 -3.845
19 HA ALA 4 HA ALA 3 21.984 3.847 -1.104
20 HB1 ALA 4 HB1 ALA 3 19.695 3.139 -1.631
21 HB2 ALA 4 HB2 ALA 3 20.235 2.589 -3.218
22 HB3 ALA 4 HB3 ALA 3 20.307 4.303 -2.806
23 H GLN 5 HN GLN 4 22.313 0.931 -3.090
24 HA GLN 5 HA GLN 4 21.602 -0.918 -1.057
25 HB2 GLN 5 HB2 GLN 4 22.632 -1.026 -3.788
26 HB3 GLN 5 HB1 GLN 4 23.310 -2.285 -2.765
27 HG2 GLN 5 HG2 GLN 4 21.339 -3.088 -3.906
28 HG3 GLN 5 HG1 GLN 4 21.056 -3.015 -2.168
29 HE21 GLN 5 HE21 GLN 4 19.503 -1.663 -1.368
30 HE22 GLN 5 HE22 GLN 4 18.430 -0.746 -2.364
31 H TRP 6 HN TRP 5 24.640 0.564 -2.058
32 HA TRP 6 HA TRP 5 26.448 -1.020 -0.646
33 HB2 TRP 6 HB2 TRP 5 27.289 0.561 -2.227
34 HB3 TRP 6 HB1 TRP 5 26.515 1.905 -1.399
35 HD1 TRP 6 HD1 TRP 5 29.343 -0.666 -0.721
36 HE1 TRP 6 HE1 TRP 5 31.124 0.488 0.729
37 HE3 TRP 6 HE3 TRP 5 27.031 3.842 -0.016
38 HZ2 TRP 6 HZ2 TRP 5 31.507 2.970 2.001
39 HZ3 TRP 6 HZ3 TRP 5 28.179 5.553 1.332
40 HH2 TRP 6 HH2 TRP 5 30.371 5.122 2.318
41 H LEU 7 HN LEU 6 24.548 1.783 0.407
42 HA LEU 7 HA LEU 6 25.670 1.989 2.999
43 HB2 LEU 7 HB2 LEU 6 23.034 2.899 1.858
44 HB3 LEU 7 HB1 LEU 6 23.517 3.232 3.510
45 HG LEU 7 HG LEU 6 25.037 4.144 1.066
46 HD11 LEU 7 HD11 LEU 6 24.163 6.412 2.109
47 HD12 LEU 7 HD12 LEU 6 22.849 5.369 2.652
48 HD13 LEU 7 HD13 LEU 6 23.217 5.502 0.932
49 HD21 LEU 7 HD21 LEU 6 26.474 3.869 2.999
50 HD22 LEU 7 HD22 LEU 6 25.352 4.792 3.997
51 HD23 LEU 7 HD23 LEU 6 26.220 5.584 2.681
52 H ALA 8 HN ALA 7 22.948 0.164 1.684
53 HA ALA 8 HA ALA 7 21.783 -0.681 4.087
54 HB1 ALA 8 HB1 ALA 7 20.391 -1.191 2.381
55 HB2 ALA 8 HB2 ALA 7 21.208 -2.751 2.483
56 HB3 ALA 8 HB3 ALA 7 21.708 -1.571 1.271
57 H ASP 9 HN ASP 8 24.542 -1.948 2.289
58 HA ASP 9 HA ASP 8 24.764 -4.366 3.798
59 HB2 ASP 9 HB2 ASP 8 27.011 -3.052 2.268
60 HB3 ASP 9 HB1 ASP 8 26.794 -4.759 2.625
61 H DAL 10 HN DAL 9 25.553 -1.121 4.507
62 HA DAL 10 HA DAL 9 27.407 -1.965 6.632
63 HB1 DAL 10 HB1 DAL 9 26.359 -0.484 8.179
64 HB2 DAL 10 HB2 DAL 9 25.102 -1.486 7.455
65 HB3 DAL 10 HB3 DAL 9 25.317 0.182 6.921
66 H GLY 11 HN GLY 10 27.529 -0.462 3.843
67 HA2 GLY 11 HA2 GLY 10 28.724 1.264 2.921
68 HA3 GLY 11 HA1 GLY 10 28.508 2.136 4.430
69 HA PRO 12 HA PRO 11 33.009 1.626 4.405
70 HB2 PRO 12 HB2 PRO 11 32.797 3.259 6.859
71 HB3 PRO 12 HB1 PRO 11 33.723 3.555 5.383
72 HG2 PRO 12 HG2 PRO 11 31.529 4.977 5.969
73 HG3 PRO 12 HG1 PRO 11 31.937 4.541 4.300
74 HD2 PRO 12 HD2 PRO 11 29.917 3.318 6.140
75 HD3 PRO 12 HD1 PRO 11 29.798 3.660 4.402
76 H ALA 13 HN ALA 12 30.776 1.004 7.051
77 HA ALA 13 HA ALA 12 32.631 -0.162 8.843
78 HB1 ALA 13 HB1 ALA 12 30.692 0.482 9.896
79 HB2 ALA 13 HB2 ALA 12 30.444 -1.257 9.748
80 HB3 ALA 13 HB3 ALA 12 29.655 -0.156 8.619
81 H SER 14 HN SER 13 30.571 -1.551 6.303
82 HA SER 14 HA SER 13 31.104 -4.259 6.926
83 HB2 SER 14 HB2 SER 13 30.209 -4.755 4.687
84 HB3 SER 14 HB1 SER 13 29.190 -3.605 5.547
85 HG SER 14 HG SER 13 29.710 -2.079 4.158
86 H DAL 15 HN DAL 14 32.917 -1.862 5.170
87 HA DAL 15 HA DAL 14 35.107 -3.751 4.858
88 HB1 DAL 15 HB1 DAL 14 36.453 -1.790 4.296
89 HB2 DAL 15 HB2 DAL 14 35.576 -1.550 5.807
90 HB3 DAL 15 HB3 DAL 14 35.005 -0.783 4.326
91 H NVA 16 HN NVA 15 32.933 -1.814 2.870
92 HA NVA 16 HA NVA 15 34.038 -3.107 0.464
93 HB2 NVA 16 HB1 NVA 15 31.140 -2.549 1.128
94 HB3 NVA 16 HB2 NVA 15 31.904 -4.128 1.029
95 HG2 NVA 16 HG1 NVA 15 32.404 -3.527 -1.411
96 HG3 NVA 16 HG2 NVA 15 31.214 -2.239 -1.192
97 HD1 NVA 16 HD1 NVA 15 30.169 -4.205 -2.147
98 HD2 NVA 16 HD2 NVA 15 29.553 -3.918 -0.520
99 HD3 NVA 16 HD3 NVA 15 30.744 -5.189 -0.801
100 HA PRO 17 HA PRO 16 34.543 1.077 -0.934
101 HB2 PRO 17 HB2 PRO 16 35.005 0.575 -3.562
102 HB3 PRO 17 HB1 PRO 16 36.206 0.281 -2.300
103 HG2 PRO 17 HG2 PRO 16 34.370 -1.652 -3.658
104 HG3 PRO 17 HG1 PRO 16 36.080 -1.842 -3.231
105 HD2 PRO 17 HD2 PRO 16 34.068 -2.908 -1.756
106 HD3 PRO 17 HD1 PRO 16 35.605 -2.379 -1.044
107 HA PRO 18 HA PRO 17 30.322 2.016 -2.166
108 HB2 PRO 18 HB2 PRO 17 30.815 4.700 -2.609
109 HB3 PRO 18 HB1 PRO 17 30.424 3.996 -1.037
110 HG2 PRO 18 HG2 PRO 17 33.090 4.713 -2.186
111 HG3 PRO 18 HG1 PRO 17 32.485 4.933 -0.533
112 HD2 PRO 18 HD2 PRO 17 34.160 2.939 -1.146
113 HD3 PRO 18 HD1 PRO 17 32.847 2.709 0.029
114 HA PRO 19 HA PRO 18 30.868 1.817 -6.596
115 HB2 PRO 19 HB2 PRO 18 28.260 2.046 -7.312
116 HB3 PRO 19 HB1 PRO 18 28.943 0.562 -6.640
117 HG2 PRO 19 HG2 PRO 18 27.358 2.703 -5.277
118 HG3 PRO 19 HG1 PRO 18 27.225 0.942 -5.121
119 HD2 PRO 19 HD2 PRO 18 28.517 2.481 -3.304
120 HD3 PRO 19 HD1 PRO 18 29.003 0.812 -3.664
121 H SER 20 HN SER 19 31.864 3.600 -7.371
122 HA SER 20 HA SER 19 30.187 5.885 -8.076
123 HB2 SER 20 HB2 SER 19 32.743 6.085 -6.471
124 HB3 SER 20 HB1 SER 19 32.010 7.457 -7.304
125 HG SER 20 HG SER 19 30.405 7.485 -5.887
126 HN1 NH2 21 H2 SER 19 30.350 5.711 -10.233
127 HN2 NH2 21 H1 SER 19 31.831 5.644 -11.120
Start of MODEL 28
1 H1 ACE 1 HA2 ALA 1 19.836 1.985 -6.238
2 H2 ACE 1 HA3 ALA 1 19.289 0.361 -6.639
3 H3 ACE 1 HA1 ALA 1 19.673 1.534 -7.931
4 H ALA 2 HN ALA 1 21.964 2.467 -6.169
5 HA ALA 2 HA ALA 1 23.796 0.194 -6.449
6 HB1 ALA 2 HB2 ALA 1 24.392 1.148 -8.432
7 HB2 ALA 2 HB3 ALA 1 25.448 2.061 -7.354
8 HB3 ALA 2 HB1 ALA 1 23.936 2.773 -7.918
9 H TYR 3 HN TYR 2 24.091 3.683 -5.698
10 HA TYR 3 HA TYR 2 25.962 3.292 -3.624
11 HB2 TYR 3 HB2 TYR 2 25.577 5.433 -4.906
12 HB3 TYR 3 HB1 TYR 2 24.126 5.674 -3.938
13 HD1 TYR 3 HD1 TYR 2 27.774 5.758 -3.960
14 HD2 TYR 3 HD2 TYR 2 24.293 6.190 -1.550
15 HE1 TYR 3 HE1 TYR 2 29.125 6.842 -2.215
16 HE2 TYR 3 HE2 TYR 2 25.637 7.276 0.202
17 HH TYR 3 HH TYR 2 28.218 8.681 -0.060
18 H ALA 4 HN ALA 3 22.438 3.686 -3.600
19 HA ALA 4 HA ALA 3 22.090 3.842 -0.815
20 HB1 ALA 4 HB1 ALA 3 20.313 4.442 -2.344
21 HB2 ALA 4 HB2 ALA 3 19.763 3.162 -1.262
22 HB3 ALA 4 HB3 ALA 3 20.214 2.779 -2.924
23 H GLN 5 HN GLN 4 22.255 1.074 -3.019
24 HA GLN 5 HA GLN 4 21.614 -0.926 -1.129
25 HB2 GLN 5 HB2 GLN 4 21.714 -1.104 -3.693
26 HB3 GLN 5 HB1 GLN 4 23.444 -1.340 -3.487
27 HG2 GLN 5 HG2 GLN 4 21.884 -3.069 -1.759
28 HG3 GLN 5 HG1 GLN 4 21.502 -3.296 -3.465
29 HE21 GLN 5 HE21 GLN 4 23.309 -3.724 -4.919
30 HE22 GLN 5 HE22 GLN 4 24.680 -4.588 -4.319
31 H TRP 6 HN TRP 5 24.625 0.650 -2.038
32 HA TRP 6 HA TRP 5 26.459 -1.027 -0.752
33 HB2 TRP 6 HB2 TRP 5 27.280 0.632 -2.265
34 HB3 TRP 6 HB1 TRP 5 26.516 1.932 -1.361
35 HD1 TRP 6 HD1 TRP 5 29.327 -0.692 -0.773
36 HE1 TRP 6 HE1 TRP 5 31.140 0.418 0.675
37 HE3 TRP 6 HE3 TRP 5 27.096 3.846 0.002
38 HZ2 TRP 6 HZ2 TRP 5 31.573 2.881 1.972
39 HZ3 TRP 6 HZ3 TRP 5 28.283 5.523 1.358
40 HH2 TRP 6 HH2 TRP 5 30.473 5.048 2.321
41 H LEU 7 HN LEU 6 24.647 1.780 0.458
42 HA LEU 7 HA LEU 6 25.794 1.844 3.037
43 HB2 LEU 7 HB2 LEU 6 23.157 2.835 1.970
44 HB3 LEU 7 HB1 LEU 6 23.650 3.080 3.635
45 HG LEU 7 HG LEU 6 25.123 4.115 1.210
46 HD11 LEU 7 HD11 LEU 6 24.387 6.334 2.312
47 HD12 LEU 7 HD12 LEU 6 23.152 5.347 3.093
48 HD13 LEU 7 HD13 LEU 6 23.226 5.437 1.333
49 HD21 LEU 7 HD21 LEU 6 26.409 5.408 2.885
50 HD22 LEU 7 HD22 LEU 6 26.657 3.666 3.018
51 HD23 LEU 7 HD23 LEU 6 25.605 4.498 4.164
52 H ALA 8 HN ALA 7 23.092 0.044 1.674
53 HA ALA 8 HA ALA 7 21.892 -0.855 4.036
54 HB1 ALA 8 HB1 ALA 7 20.487 -1.583 2.478
55 HB2 ALA 8 HB2 ALA 7 21.593 -2.925 2.191
56 HB3 ALA 8 HB3 ALA 7 21.718 -1.457 1.223
57 H ASP 9 HN ASP 8 24.675 -2.109 2.250
58 HA ASP 9 HA ASP 8 24.891 -4.522 3.767
59 HB2 ASP 9 HB2 ASP 8 27.192 -3.260 2.290
60 HB3 ASP 9 HB1 ASP 8 26.862 -4.967 2.559
61 H DAL 10 HN DAL 9 25.693 -1.281 4.461
62 HA DAL 10 HA DAL 9 27.561 -2.116 6.580
63 HB1 DAL 10 HB1 DAL 9 25.460 -1.730 7.638
64 HB2 DAL 10 HB2 DAL 9 25.251 -0.196 6.794
65 HB3 DAL 10 HB3 DAL 9 26.508 -0.364 8.017
66 H GLY 11 HN GLY 10 27.644 -0.600 3.791
67 HA2 GLY 11 HA2 GLY 10 28.817 1.142 2.868
68 HA3 GLY 11 HA1 GLY 10 28.597 2.006 4.380
69 HA PRO 12 HA PRO 11 33.101 1.555 4.352
70 HB2 PRO 12 HB2 PRO 11 32.860 3.148 6.830
71 HB3 PRO 12 HB1 PRO 11 33.788 3.479 5.364
72 HG2 PRO 12 HG2 PRO 11 31.575 4.864 5.959
73 HG3 PRO 12 HG1 PRO 11 31.992 4.452 4.285
74 HD2 PRO 12 HD2 PRO 11 29.986 3.181 6.109
75 HD3 PRO 12 HD1 PRO 11 29.864 3.545 4.375
76 H ALA 13 HN ALA 12 30.863 0.846 6.966
77 HA ALA 13 HA ALA 12 32.742 -0.338 8.734
78 HB1 ALA 13 HB1 ALA 12 30.710 -1.321 9.822
79 HB2 ALA 13 HB2 ALA 12 29.747 -0.577 8.544
80 HB3 ALA 13 HB3 ALA 12 30.686 0.433 9.643
81 H SER 14 HN SER 13 30.715 -1.649 6.136
82 HA SER 14 HA SER 13 31.219 -4.380 6.721
83 HB2 SER 14 HB2 SER 13 30.340 -4.822 4.458
84 HB3 SER 14 HB1 SER 13 29.310 -3.707 5.350
85 HG SER 14 HG SER 13 30.952 -3.245 3.139
86 H DAL 15 HN DAL 14 33.036 -1.947 5.018
87 HA DAL 15 HA DAL 14 35.235 -3.821 4.689
88 HB1 DAL 15 HB1 DAL 14 36.553 -1.823 4.110
89 HB2 DAL 15 HB2 DAL 14 35.726 -1.654 5.659
90 HB3 DAL 15 HB3 DAL 14 35.091 -0.843 4.228
91 H NVA 16 HN NVA 15 33.078 -1.855 2.700
92 HA NVA 16 HA NVA 15 34.220 -3.102 0.291
93 HB2 NVA 16 HB1 NVA 15 31.291 -2.629 0.887
94 HB3 NVA 16 HB2 NVA 15 32.100 -4.189 0.879
95 HG2 NVA 16 HG1 NVA 15 32.608 -3.848 -1.532
96 HG3 NVA 16 HG2 NVA 15 31.626 -2.380 -1.481
97 HD1 NVA 16 HD1 NVA 15 29.725 -3.537 -1.594
98 HD2 NVA 16 HD2 NVA 15 30.256 -4.688 -0.368
99 HD3 NVA 16 HD3 NVA 15 30.724 -4.915 -2.053
100 HA PRO 17 HA PRO 16 34.591 1.097 -1.090
101 HB2 PRO 17 HB2 PRO 16 34.983 0.626 -3.738
102 HB3 PRO 17 HB1 PRO 16 36.229 0.360 -2.514
103 HG2 PRO 17 HG2 PRO 16 34.404 -1.619 -3.821
104 HG3 PRO 17 HG1 PRO 16 36.134 -1.762 -3.454
105 HD2 PRO 17 HD2 PRO 16 34.217 -2.898 -1.916
106 HD3 PRO 17 HD1 PRO 16 35.749 -2.301 -1.247
107 HA PRO 18 HA PRO 17 30.314 1.967 -2.172
108 HB2 PRO 18 HB2 PRO 17 30.764 4.663 -2.616
109 HB3 PRO 18 HB1 PRO 17 30.407 3.944 -1.044
110 HG2 PRO 18 HG2 PRO 17 33.043 4.703 -2.229
111 HG3 PRO 18 HG1 PRO 17 32.464 4.894 -0.563
112 HD2 PRO 18 HD2 PRO 17 34.154 2.931 -1.224
113 HD3 PRO 18 HD1 PRO 17 32.856 2.665 -0.040
114 HA PRO 19 HA PRO 18 30.686 2.008 -6.617
115 HB2 PRO 19 HB2 PRO 18 28.083 1.846 -7.232
116 HB3 PRO 19 HB1 PRO 18 28.940 0.492 -6.485
117 HG2 PRO 19 HG2 PRO 18 27.100 2.491 -5.240
118 HG3 PRO 19 HG1 PRO 18 27.232 0.749 -4.941
119 HD2 PRO 19 HD2 PRO 18 28.358 2.717 -3.354
120 HD3 PRO 19 HD1 PRO 18 28.897 1.030 -3.410
121 H SER 20 HN SER 19 31.509 4.275 -6.458
122 HA SER 20 HA SER 19 29.474 6.245 -7.274
123 HB2 SER 20 HB2 SER 19 32.061 6.553 -5.763
124 HB3 SER 20 HB1 SER 19 31.314 7.924 -6.583
125 HG SER 20 HG SER 19 30.224 8.075 -4.787
126 HN1 NH2 21 H2 SER 19 32.927 5.496 -7.772
127 HN2 NH2 21 H1 SER 19 32.960 5.959 -9.436
Start of MODEL 29
1 H1 ACE 1 HA2 ALA 1 19.986 0.355 -7.340
2 H2 ACE 1 HA3 ALA 1 20.536 2.002 -7.002
3 H3 ACE 1 HA1 ALA 1 19.805 1.032 -5.715
4 H ALA 2 HN ALA 1 22.679 1.830 -7.403
5 HA ALA 2 HA ALA 1 24.214 -0.408 -6.397
6 HB1 ALA 2 HB2 ALA 1 24.929 2.045 -7.979
7 HB2 ALA 2 HB3 ALA 1 24.921 0.362 -8.504
8 HB3 ALA 2 HB1 ALA 1 26.150 0.928 -7.372
9 H TYR 3 HN TYR 2 24.410 3.135 -5.954
10 HA TYR 3 HA TYR 2 26.167 2.984 -3.736
11 HB2 TYR 3 HB2 TYR 2 25.849 4.977 -5.250
12 HB3 TYR 3 HB1 TYR 2 24.327 5.281 -4.419
13 HD1 TYR 3 HD1 TYR 2 27.951 5.508 -4.225
14 HD2 TYR 3 HD2 TYR 2 24.322 5.967 -2.048
15 HE1 TYR 3 HE1 TYR 2 29.150 6.797 -2.508
16 HE2 TYR 3 HE2 TYR 2 25.515 7.257 -0.326
17 HH TYR 3 HH TYR 2 27.944 7.423 0.508
18 H ALA 4 HN ALA 3 22.646 3.277 -4.012
19 HA ALA 4 HA ALA 3 22.076 3.733 -1.301
20 HB1 ALA 4 HB1 ALA 3 20.406 2.386 -3.421
21 HB2 ALA 4 HB2 ALA 3 20.406 4.099 -2.998
22 HB3 ALA 4 HB3 ALA 3 19.809 2.907 -1.845
23 H GLN 5 HN GLN 4 22.444 0.714 -3.136
24 HA GLN 5 HA GLN 4 21.722 -1.041 -1.040
25 HB2 GLN 5 HB2 GLN 4 21.801 -1.745 -3.395
26 HB3 GLN 5 HB1 GLN 4 23.546 -1.527 -3.407
27 HG2 GLN 5 HG2 GLN 4 22.988 -3.866 -3.204
28 HG3 GLN 5 HG1 GLN 4 23.773 -3.297 -1.731
29 HE21 GLN 5 HE21 GLN 4 22.773 -3.602 0.160
30 HE22 GLN 5 HE22 GLN 4 21.153 -4.174 0.346
31 H TRP 6 HN TRP 5 24.804 0.360 -2.058
32 HA TRP 6 HA TRP 5 26.575 -1.066 -0.478
33 HB2 TRP 6 HB2 TRP 5 27.414 0.459 -2.125
34 HB3 TRP 6 HB1 TRP 5 26.613 1.824 -1.359
35 HD1 TRP 6 HD1 TRP 5 29.450 -0.693 -0.526
36 HE1 TRP 6 HE1 TRP 5 31.200 0.540 0.898
37 HE3 TRP 6 HE3 TRP 5 27.095 3.822 -0.066
38 HZ2 TRP 6 HZ2 TRP 5 31.542 3.081 2.065
39 HZ3 TRP 6 HZ3 TRP 5 28.204 5.603 1.223
40 HH2 TRP 6 HH2 TRP 5 30.381 5.236 2.266
41 H LEU 7 HN LEU 6 24.640 1.794 0.366
42 HA LEU 7 HA LEU 6 25.663 2.123 2.983
43 HB2 LEU 7 HB2 LEU 6 23.065 2.961 1.704
44 HB3 LEU 7 HB1 LEU 6 23.475 3.368 3.359
45 HG LEU 7 HG LEU 6 25.073 4.194 0.935
46 HD11 LEU 7 HD11 LEU 6 22.837 5.462 2.415
47 HD12 LEU 7 HD12 LEU 6 23.264 5.550 0.705
48 HD13 LEU 7 HD13 LEU 6 24.167 6.495 1.889
49 HD21 LEU 7 HD21 LEU 6 26.457 3.985 2.917
50 HD22 LEU 7 HD22 LEU 6 25.311 4.950 3.846
51 HD23 LEU 7 HD23 LEU 6 26.215 5.688 2.525
52 H ALA 8 HN ALA 7 22.949 0.269 1.679
53 HA ALA 8 HA ALA 7 21.758 -0.495 4.102
54 HB1 ALA 8 HB1 ALA 7 20.494 -2.007 2.865
55 HB2 ALA 8 HB2 ALA 7 21.785 -2.278 1.694
56 HB3 ALA 8 HB3 ALA 7 20.896 -0.756 1.690
57 H ASP 9 HN ASP 8 24.500 -1.841 2.334
58 HA ASP 9 HA ASP 8 24.681 -4.230 3.890
59 HB2 ASP 9 HB2 ASP 8 26.905 -2.948 2.290
60 HB3 ASP 9 HB1 ASP 8 26.761 -4.637 2.760
61 H DAL 10 HN DAL 9 25.521 -0.980 4.526
62 HA DAL 10 HA DAL 9 27.365 -1.803 6.670
63 HB1 DAL 10 HB1 DAL 9 24.893 -1.165 7.268
64 HB2 DAL 10 HB2 DAL 9 25.503 0.482 7.100
65 HB3 DAL 10 HB3 DAL 9 26.235 -0.615 8.271
66 H GLY 11 HN GLY 10 27.541 -0.377 3.874
67 HA2 GLY 11 HA2 GLY 10 28.728 1.349 2.931
68 HA3 GLY 11 HA1 GLY 10 28.471 2.255 4.415
69 HA PRO 12 HA PRO 11 32.972 1.799 4.516
70 HB2 PRO 12 HB2 PRO 11 32.675 3.442 6.955
71 HB3 PRO 12 HB1 PRO 11 33.638 3.742 5.507
72 HG2 PRO 12 HG2 PRO 11 31.414 5.142 6.017
73 HG3 PRO 12 HG1 PRO 11 31.870 4.693 4.364
74 HD2 PRO 12 HD2 PRO 11 29.819 3.463 6.165
75 HD3 PRO 12 HD1 PRO 11 29.738 3.792 4.422
76 H ALA 13 HN ALA 12 30.678 1.160 7.103
77 HA ALA 13 HA ALA 12 32.514 0.005 8.933
78 HB1 ALA 13 HB1 ALA 12 30.201 0.895 9.450
79 HB2 ALA 13 HB2 ALA 12 30.642 -0.635 10.209
80 HB3 ALA 13 HB3 ALA 12 29.577 -0.624 8.804
81 H SER 14 HN SER 13 30.573 -1.340 6.294
82 HA SER 14 HA SER 13 31.003 -4.067 6.953
83 HB2 SER 14 HB2 SER 13 30.174 -4.561 4.715
84 HB3 SER 14 HB1 SER 13 29.185 -3.304 5.453
85 HG SER 14 HG SER 13 29.938 -1.865 4.059
86 H DAL 15 HN DAL 14 32.942 -1.702 5.283
87 HA DAL 15 HA DAL 14 35.119 -3.624 5.094
88 HB1 DAL 15 HB1 DAL 14 35.591 -1.440 6.061
89 HB2 DAL 15 HB2 DAL 14 35.075 -0.652 4.568
90 HB3 DAL 15 HB3 DAL 14 36.513 -1.674 4.575
91 H NVA 16 HN NVA 15 33.045 -1.701 2.999
92 HA NVA 16 HA NVA 15 34.288 -2.960 0.644
93 HB2 NVA 16 HB1 NVA 15 31.342 -2.520 1.180
94 HB3 NVA 16 HB2 NVA 15 32.172 -4.068 1.134
95 HG2 NVA 16 HG1 NVA 15 32.396 -2.419 -1.302
96 HG3 NVA 16 HG2 NVA 15 30.793 -3.060 -0.933
97 HD1 NVA 16 HD1 NVA 15 31.976 -4.597 -2.365
98 HD2 NVA 16 HD2 NVA 15 31.775 -5.317 -0.767
99 HD3 NVA 16 HD3 NVA 15 33.335 -4.646 -1.241
100 HA PRO 17 HA PRO 16 34.644 1.245 -0.746
101 HB2 PRO 17 HB2 PRO 16 35.238 0.770 -3.347
102 HB3 PRO 17 HB1 PRO 16 36.398 0.519 -2.038
103 HG2 PRO 17 HG2 PRO 16 34.692 -1.483 -3.468
104 HG3 PRO 17 HG1 PRO 16 36.395 -1.604 -2.988
105 HD2 PRO 17 HD2 PRO 16 34.386 -2.758 -1.579
106 HD3 PRO 17 HD1 PRO 16 35.873 -2.162 -0.817
107 HA PRO 18 HA PRO 17 30.429 2.001 -2.106
108 HB2 PRO 18 HB2 PRO 17 30.893 4.676 -2.703
109 HB3 PRO 18 HB1 PRO 17 30.414 4.051 -1.123
110 HG2 PRO 18 HG2 PRO 17 33.124 4.786 -2.134
111 HG3 PRO 18 HG1 PRO 17 32.420 5.027 -0.524
112 HD2 PRO 18 HD2 PRO 17 34.189 3.072 -0.993
113 HD3 PRO 18 HD1 PRO 17 32.821 2.832 0.117
114 HA PRO 19 HA PRO 18 31.058 1.655 -6.513
115 HB2 PRO 19 HB2 PRO 18 28.479 1.463 -7.255
116 HB3 PRO 19 HB1 PRO 18 29.313 0.149 -6.416
117 HG2 PRO 19 HG2 PRO 18 27.428 2.199 -5.324
118 HG3 PRO 19 HG1 PRO 18 27.523 0.464 -4.972
119 HD2 PRO 19 HD2 PRO 18 28.571 2.412 -3.355
120 HD3 PRO 19 HD1 PRO 18 29.188 0.750 -3.425
121 H SER 20 HN SER 19 31.182 3.042 -8.207
122 HA SER 20 HA SER 19 29.520 5.452 -8.220
123 HB2 SER 20 HB2 SER 19 32.542 5.479 -8.413
124 HB3 SER 20 HB1 SER 19 31.496 6.873 -8.682
125 HG SER 20 HG SER 19 30.916 6.846 -6.551
126 HN1 NH2 21 H2 SER 19 29.156 6.328 -10.254
127 HN2 NH2 21 H1 SER 19 29.619 5.530 -11.714
Start of MODEL 30
1 H1 ACE 1 HA2 ALA 1 19.403 1.436 -7.057
2 H2 ACE 1 HA3 ALA 1 20.323 2.940 -7.201
3 H3 ACE 1 HA1 ALA 1 19.536 2.526 -5.670
4 H ALA 2 HN ALA 1 22.336 2.201 -7.611
5 HA ALA 2 HA ALA 1 23.484 -0.085 -6.378
6 HB1 ALA 2 HB2 ALA 1 24.232 0.740 -8.557
7 HB2 ALA 2 HB3 ALA 1 25.573 0.628 -7.416
8 HB3 ALA 2 HB1 ALA 1 24.862 2.199 -7.790
9 H TYR 3 HN TYR 2 23.981 3.411 -5.852
10 HA TYR 3 HA TYR 2 25.827 3.135 -3.737
11 HB2 TYR 3 HB2 TYR 2 25.400 5.226 -5.086
12 HB3 TYR 3 HB1 TYR 2 23.927 5.449 -4.150
13 HD1 TYR 3 HD1 TYR 2 27.576 5.627 -4.106
14 HD2 TYR 3 HD2 TYR 2 24.033 6.053 -1.784
15 HE1 TYR 3 HE1 TYR 2 28.862 6.798 -2.369
16 HE2 TYR 3 HE2 TYR 2 25.313 7.230 -0.042
17 HH TYR 3 HH TYR 2 28.614 7.189 0.163
18 H ALA 4 HN ALA 3 22.294 3.430 -3.777
19 HA ALA 4 HA ALA 3 21.889 3.671 -1.010
20 HB1 ALA 4 HB1 ALA 3 19.600 2.944 -1.452
21 HB2 ALA 4 HB2 ALA 3 20.074 2.407 -3.064
22 HB3 ALA 4 HB3 ALA 3 20.138 4.121 -2.650
23 H GLN 5 HN GLN 4 22.235 0.822 -3.087
24 HA GLN 5 HA GLN 4 21.623 -1.119 -1.120
25 HB2 GLN 5 HB2 GLN 4 22.401 -1.104 -3.852
26 HB3 GLN 5 HB1 GLN 4 23.534 -2.143 -2.998
27 HG2 GLN 5 HG2 GLN 4 20.961 -2.796 -2.056
28 HG3 GLN 5 HG1 GLN 4 20.854 -2.679 -3.811
29 HE21 GLN 5 HE21 GLN 4 21.197 -4.839 -1.485
30 HE22 GLN 5 HE22 GLN 4 22.227 -5.995 -2.250
31 H TRP 6 HN TRP 5 24.613 0.493 -2.077
32 HA TRP 6 HA TRP 5 26.472 -1.045 -0.680
33 HB2 TRP 6 HB2 TRP 5 27.241 0.601 -2.244
34 HB3 TRP 6 HB1 TRP 5 26.433 1.896 -1.373
35 HD1 TRP 6 HD1 TRP 5 29.330 -0.618 -0.737
36 HE1 TRP 6 HE1 TRP 5 31.094 0.573 0.705
37 HE3 TRP 6 HE3 TRP 5 26.925 3.836 -0.016
38 HZ2 TRP 6 HZ2 TRP 5 31.429 3.064 1.979
39 HZ3 TRP 6 HZ3 TRP 5 28.040 5.571 1.325
40 HH2 TRP 6 HH2 TRP 5 30.245 5.190 2.302
41 H LEU 7 HN LEU 6 24.513 1.713 0.404
42 HA LEU 7 HA LEU 6 25.615 1.909 3.000
43 HB2 LEU 7 HB2 LEU 6 22.956 2.759 1.863
44 HB3 LEU 7 HB1 LEU 6 23.423 3.084 3.522
45 HG LEU 7 HG LEU 6 24.917 4.071 1.090
46 HD11 LEU 7 HD11 LEU 6 24.016 6.307 2.046
47 HD12 LEU 7 HD12 LEU 6 22.788 5.289 2.799
48 HD13 LEU 7 HD13 LEU 6 22.965 5.307 1.043
49 HD21 LEU 7 HD21 LEU 6 25.240 4.650 4.032
50 HD22 LEU 7 HD22 LEU 6 26.060 5.520 2.737
51 HD23 LEU 7 HD23 LEU 6 26.383 3.804 2.989
52 H ALA 8 HN ALA 7 22.949 0.015 1.666
53 HA ALA 8 HA ALA 7 21.798 -0.875 4.060
54 HB1 ALA 8 HB1 ALA 7 20.428 -1.419 2.345
55 HB2 ALA 8 HB2 ALA 7 21.289 -2.955 2.448
56 HB3 ALA 8 HB3 ALA 7 21.761 -1.759 1.242
57 H ASP 9 HN ASP 8 24.587 -2.081 2.257
58 HA ASP 9 HA ASP 8 24.869 -4.481 3.783
59 HB2 ASP 9 HB2 ASP 8 27.099 -3.152 2.249
60 HB3 ASP 9 HB1 ASP 8 26.876 -4.862 2.586
61 H DAL 10 HN DAL 9 25.597 -1.215 4.455
62 HA DAL 10 HA DAL 9 27.492 -1.996 6.571
63 HB1 DAL 10 HB1 DAL 9 25.116 -1.556 7.344
64 HB2 DAL 10 HB2 DAL 9 25.403 0.133 6.928
65 HB3 DAL 10 HB3 DAL 9 26.392 -0.653 8.158
66 H GLY 11 HN GLY 10 27.603 -0.539 3.787
67 HA2 GLY 11 HA2 GLY 10 28.762 1.205 2.850
68 HA3 GLY 11 HA1 GLY 10 28.423 2.119 4.310
69 HA PRO 12 HA PRO 11 32.933 1.884 4.556
70 HB2 PRO 12 HB2 PRO 11 32.485 3.535 6.964
71 HB3 PRO 12 HB1 PRO 11 33.470 3.870 5.536
72 HG2 PRO 12 HG2 PRO 11 31.163 5.158 5.977
73 HG3 PRO 12 HG1 PRO 11 31.686 4.720 4.340
74 HD2 PRO 12 HD2 PRO 11 29.654 3.400 6.098
75 HD3 PRO 12 HD1 PRO 11 29.603 3.710 4.351
76 H ALA 13 HN ALA 12 30.594 1.143 7.072
77 HA ALA 13 HA ALA 12 32.419 0.122 8.985
78 HB1 ALA 13 HB1 ALA 12 30.248 -1.097 9.782
79 HB2 ALA 13 HB2 ALA 12 29.467 -0.037 8.608
80 HB3 ALA 13 HB3 ALA 12 30.400 0.654 9.936
81 H SER 14 HN SER 13 30.575 -1.419 6.369
82 HA SER 14 HA SER 13 31.286 -4.078 7.066
83 HB2 SER 14 HB2 SER 13 30.512 -4.639 4.758
84 HB3 SER 14 HB1 SER 13 29.348 -3.696 5.683
85 HG SER 14 HG SER 13 30.940 -2.924 3.506
86 H DAL 15 HN DAL 14 32.943 -1.568 5.327
87 HA DAL 15 HA DAL 14 35.273 -3.285 5.066
88 HB1 DAL 15 HB1 DAL 14 36.459 -1.228 4.464
89 HB2 DAL 15 HB2 DAL 14 35.565 -1.045 5.973
90 HB3 DAL 15 HB3 DAL 14 34.932 -0.345 4.482
91 H NVA 16 HN NVA 15 33.029 -1.511 2.987
92 HA NVA 16 HA NVA 15 34.253 -2.804 0.639
93 HB2 NVA 16 HB1 NVA 15 31.315 -2.424 1.252
94 HB3 NVA 16 HB2 NVA 15 32.182 -3.949 1.175
95 HG2 NVA 16 HG1 NVA 15 32.169 -2.225 -1.249
96 HG3 NVA 16 HG2 NVA 15 30.697 -3.107 -0.828
97 HD1 NVA 16 HD1 NVA 15 31.706 -5.173 -1.104
98 HD2 NVA 16 HD2 NVA 15 33.333 -4.517 -0.916
99 HD3 NVA 16 HD3 NVA 15 32.425 -4.215 -2.398
100 HA PRO 17 HA PRO 16 34.533 1.364 -0.872
101 HB2 PRO 17 HB2 PRO 16 35.054 0.817 -3.481
102 HB3 PRO 17 HB1 PRO 16 36.256 0.627 -2.199
103 HG2 PRO 17 HG2 PRO 16 34.543 -1.446 -3.511
104 HG3 PRO 17 HG1 PRO 16 36.260 -1.525 -3.076
105 HD2 PRO 17 HD2 PRO 16 34.315 -2.667 -1.574
106 HD3 PRO 17 HD1 PRO 16 35.808 -2.012 -0.871
107 HA PRO 18 HA PRO 17 30.268 2.014 -2.141
108 HB2 PRO 18 HB2 PRO 17 30.637 4.704 -2.703
109 HB3 PRO 18 HB1 PRO 17 30.229 4.044 -1.117
110 HG2 PRO 18 HG2 PRO 17 32.889 4.856 -2.208
111 HG3 PRO 18 HG1 PRO 17 32.225 5.087 -0.579
112 HD2 PRO 18 HD2 PRO 17 34.021 3.171 -1.085
113 HD3 PRO 18 HD1 PRO 17 32.684 2.897 0.051
114 HA PRO 19 HA PRO 18 30.473 1.485 -6.544
115 HB2 PRO 19 HB2 PRO 18 27.890 2.968 -6.513
116 HB3 PRO 19 HB1 PRO 18 28.282 1.403 -7.234
117 HG2 PRO 19 HG2 PRO 18 26.876 1.549 -4.977
118 HG3 PRO 19 HG1 PRO 18 28.088 0.277 -5.219
119 HD2 PRO 19 HD2 PRO 18 28.245 2.755 -3.563
120 HD3 PRO 19 HD1 PRO 18 28.916 1.143 -3.251
121 H SER 20 HN SER 19 31.724 2.687 -7.822
122 HA SER 20 HA SER 19 30.999 5.444 -8.398
123 HB2 SER 20 HB2 SER 19 33.355 6.222 -8.018
124 HB3 SER 20 HB1 SER 19 32.501 5.776 -6.541
125 HG SER 20 HG SER 19 34.804 4.912 -7.202
126 HN1 NH2 21 H2 SER 19 31.793 6.200 -10.370
127 HN2 NH2 21 H1 SER 19 32.545 5.159 -11.526
Start of MODEL 31
1 H1 ACE 1 HA2 ALA 1 19.818 1.379 -6.596
2 H2 ACE 1 HA3 ALA 1 20.821 2.311 -7.714
3 H3 ACE 1 HA1 ALA 1 20.463 2.950 -6.103
4 H ALA 2 HN ALA 1 22.976 2.034 -7.684
5 HA ALA 2 HA ALA 1 24.105 -0.151 -6.304
6 HB1 ALA 2 HB2 ALA 1 24.963 0.680 -8.450
7 HB2 ALA 2 HB3 ALA 1 26.231 0.575 -7.229
8 HB3 ALA 2 HB1 ALA 1 25.536 2.141 -7.646
9 H TYR 3 HN TYR 2 24.471 3.362 -5.798
10 HA TYR 3 HA TYR 2 26.181 3.143 -3.553
11 HB2 TYR 3 HB2 TYR 2 25.862 5.192 -4.993
12 HB3 TYR 3 HB1 TYR 2 24.324 5.445 -4.176
13 HD1 TYR 3 HD1 TYR 2 27.955 5.646 -3.884
14 HD2 TYR 3 HD2 TYR 2 24.263 6.099 -1.813
15 HE1 TYR 3 HE1 TYR 2 29.113 6.880 -2.100
16 HE2 TYR 3 HE2 TYR 2 25.417 7.335 -0.024
17 HH TYR 3 HH TYR 2 27.832 7.441 0.888
18 H ALA 4 HN ALA 3 22.662 3.420 -3.877
19 HA ALA 4 HA ALA 3 22.051 3.750 -1.155
20 HB1 ALA 4 HB1 ALA 3 20.422 2.528 -3.378
21 HB2 ALA 4 HB2 ALA 3 20.396 4.206 -2.832
22 HB3 ALA 4 HB3 ALA 3 19.793 2.926 -1.778
23 H GLN 5 HN GLN 4 22.442 0.828 -3.131
24 HA GLN 5 HA GLN 4 21.706 -1.025 -1.121
25 HB2 GLN 5 HB2 GLN 4 22.913 -1.129 -3.797
26 HB3 GLN 5 HB1 GLN 4 23.457 -2.412 -2.725
27 HG2 GLN 5 HG2 GLN 4 21.631 -3.354 -3.767
28 HG3 GLN 5 HG1 GLN 4 20.951 -2.773 -2.249
29 HE21 GLN 5 HE21 GLN 4 19.760 -0.768 -2.288
30 HE22 GLN 5 HE22 GLN 4 18.948 -0.282 -3.732
31 H TRP 6 HN TRP 5 24.772 0.453 -2.048
32 HA TRP 6 HA TRP 5 26.546 -1.079 -0.547
33 HB2 TRP 6 HB2 TRP 5 27.415 0.497 -2.122
34 HB3 TRP 6 HB1 TRP 5 26.594 1.838 -1.336
35 HD1 TRP 6 HD1 TRP 5 29.436 -0.682 -0.518
36 HE1 TRP 6 HE1 TRP 5 31.157 0.526 0.961
37 HE3 TRP 6 HE3 TRP 5 27.044 3.805 0.008
38 HZ2 TRP 6 HZ2 TRP 5 31.463 3.048 2.190
39 HZ3 TRP 6 HZ3 TRP 5 28.121 5.563 1.352
40 HH2 TRP 6 HH2 TRP 5 30.285 5.190 2.420
41 H LEU 7 HN LEU 6 24.604 1.734 0.404
42 HA LEU 7 HA LEU 6 25.628 1.991 3.027
43 HB2 LEU 7 HB2 LEU 6 23.015 2.834 1.784
44 HB3 LEU 7 HB1 LEU 6 23.432 3.199 3.447
45 HG LEU 7 HG LEU 6 25.004 4.112 1.037
46 HD11 LEU 7 HD11 LEU 6 23.185 5.460 0.856
47 HD12 LEU 7 HD12 LEU 6 24.074 6.371 2.076
48 HD13 LEU 7 HD13 LEU 6 22.758 5.303 2.559
49 HD21 LEU 7 HD21 LEU 6 26.405 3.863 3.000
50 HD22 LEU 7 HD22 LEU 6 25.254 4.785 3.967
51 HD23 LEU 7 HD23 LEU 6 26.139 5.574 2.662
52 H ALA 8 HN ALA 7 22.974 0.101 1.660
53 HA ALA 8 HA ALA 7 21.748 -0.724 4.040
54 HB1 ALA 8 HB1 ALA 7 20.564 -2.261 2.761
55 HB2 ALA 8 HB2 ALA 7 21.897 -2.497 1.631
56 HB3 ALA 8 HB3 ALA 7 20.968 -0.998 1.599
57 H ASP 9 HN ASP 8 24.552 -2.011 2.321
58 HA ASP 9 HA ASP 8 24.765 -4.385 3.899
59 HB2 ASP 9 HB2 ASP 8 27.020 -3.105 2.354
60 HB3 ASP 9 HB1 ASP 8 26.807 -4.805 2.756
61 H DAL 10 HN DAL 9 25.527 -1.123 4.527
62 HA DAL 10 HA DAL 9 27.389 -1.895 6.674
63 HB1 DAL 10 HB1 DAL 9 26.152 -0.909 8.269
64 HB2 DAL 10 HB2 DAL 9 24.830 -1.133 7.124
65 HB3 DAL 10 HB3 DAL 9 25.662 0.419 7.217
66 H GLY 11 HN GLY 10 27.481 -0.446 3.856
67 HA2 GLY 11 HA2 GLY 10 28.665 1.267 2.899
68 HA3 GLY 11 HA1 GLY 10 28.402 2.183 4.374
69 HA PRO 12 HA PRO 11 32.904 1.804 4.521
70 HB2 PRO 12 HB2 PRO 11 32.546 3.326 7.031
71 HB3 PRO 12 HB1 PRO 11 33.522 3.711 5.610
72 HG2 PRO 12 HG2 PRO 11 31.265 5.045 6.153
73 HG3 PRO 12 HG1 PRO 11 31.748 4.676 4.487
74 HD2 PRO 12 HD2 PRO 11 29.700 3.333 6.209
75 HD3 PRO 12 HD1 PRO 11 29.635 3.733 4.480
76 H ALA 13 HN ALA 12 30.596 0.998 7.045
77 HA ALA 13 HA ALA 12 32.429 -0.206 8.845
78 HB1 ALA 13 HB1 ALA 12 29.525 -0.943 8.658
79 HB2 ALA 13 HB2 ALA 12 30.054 0.603 9.322
80 HB3 ALA 13 HB3 ALA 12 30.569 -0.904 10.079
81 H SER 14 HN SER 13 30.559 -1.458 6.113
82 HA SER 14 HA SER 13 31.089 -4.200 6.652
83 HB2 SER 14 HB2 SER 13 30.296 -4.593 4.341
84 HB3 SER 14 HB1 SER 13 29.201 -3.558 5.255
85 HG SER 14 HG SER 13 30.171 -3.022 2.940
86 H DAL 15 HN DAL 14 32.902 -1.677 5.075
87 HA DAL 15 HA DAL 14 35.072 -3.600 4.597
88 HB1 DAL 15 HB1 DAL 14 35.245 -0.593 4.738
89 HB2 DAL 15 HB2 DAL 14 36.584 -1.740 4.725
90 HB3 DAL 15 HB3 DAL 14 35.492 -1.675 6.109
91 H NVA 16 HN NVA 15 32.820 -3.242 2.716
92 HA NVA 16 HA NVA 15 34.267 -3.186 0.301
93 HB2 NVA 16 HB1 NVA 15 31.298 -2.999 0.837
94 HB3 NVA 16 HB2 NVA 15 32.217 -4.455 0.488
95 HG2 NVA 16 HG1 NVA 15 32.759 -3.401 -1.758
96 HG3 NVA 16 HG2 NVA 15 31.506 -2.214 -1.377
97 HD1 NVA 16 HD1 NVA 15 29.851 -3.957 -1.208
98 HD2 NVA 16 HD2 NVA 15 31.086 -5.196 -1.443
99 HD3 NVA 16 HD3 NVA 15 30.684 -4.091 -2.757
100 HA PRO 17 HA PRO 16 34.435 1.206 -0.379
101 HB2 PRO 17 HB2 PRO 16 35.238 1.181 -2.966
102 HB3 PRO 17 HB1 PRO 16 36.321 0.783 -1.628
103 HG2 PRO 17 HG2 PRO 16 34.849 -1.046 -3.483
104 HG3 PRO 17 HG1 PRO 16 36.517 -1.157 -2.891
105 HD2 PRO 17 HD2 PRO 16 34.475 -2.618 -1.850
106 HD3 PRO 17 HD1 PRO 16 35.877 -2.101 -0.895
107 HA PRO 18 HA PRO 17 30.371 2.112 -1.977
108 HB2 PRO 18 HB2 PRO 17 30.857 4.792 -2.504
109 HB3 PRO 18 HB1 PRO 17 30.353 4.137 -0.944
110 HG2 PRO 18 HG2 PRO 17 33.086 4.870 -1.901
111 HG3 PRO 18 HG1 PRO 17 32.355 5.105 -0.303
112 HD2 PRO 18 HD2 PRO 17 34.112 3.137 -0.752
113 HD3 PRO 18 HD1 PRO 17 32.720 2.898 0.326
114 HA PRO 19 HA PRO 18 31.142 1.838 -6.368
115 HB2 PRO 19 HB2 PRO 18 28.584 1.662 -7.187
116 HB3 PRO 19 HB1 PRO 18 29.394 0.329 -6.354
117 HG2 PRO 19 HG2 PRO 18 27.482 2.358 -5.269
118 HG3 PRO 19 HG1 PRO 18 27.561 0.615 -4.957
119 HD2 PRO 19 HD2 PRO 18 28.568 2.511 -3.259
120 HD3 PRO 19 HD1 PRO 18 29.191 0.855 -3.364
121 H SER 20 HN SER 19 31.363 3.293 -7.987
122 HA SER 20 HA SER 19 29.692 5.704 -7.975
123 HB2 SER 20 HB2 SER 19 32.713 5.737 -8.194
124 HB3 SER 20 HB1 SER 19 31.652 7.140 -8.326
125 HG SER 20 HG SER 19 31.125 6.934 -6.186
126 HN1 NH2 21 H2 SER 19 29.015 6.285 -9.948
127 HN2 NH2 21 H1 SER 19 29.622 5.662 -11.441
Start of MODEL 32
1 H1 ACE 1 HA2 ALA 1 20.058 2.102 -7.130
2 H2 ACE 1 HA3 ALA 1 19.472 0.608 -7.855
3 H3 ACE 1 HA1 ALA 1 20.152 1.899 -8.877
4 H ALA 2 HN ALA 1 22.005 2.068 -6.275
5 HA ALA 2 HA ALA 1 23.675 -0.231 -6.469
6 HB1 ALA 2 HB2 ALA 1 25.639 1.375 -7.325
7 HB2 ALA 2 HB3 ALA 1 24.283 2.097 -8.191
8 HB3 ALA 2 HB1 ALA 1 24.661 0.389 -8.412
9 H TYR 3 HN TYR 2 24.147 3.283 -5.953
10 HA TYR 3 HA TYR 2 25.874 3.007 -3.761
11 HB2 TYR 3 HB2 TYR 2 25.568 5.077 -5.147
12 HB3 TYR 3 HB1 TYR 2 24.048 5.353 -4.302
13 HD1 TYR 3 HD1 TYR 2 27.683 5.502 -4.078
14 HD2 TYR 3 HD2 TYR 2 24.043 5.960 -1.921
15 HE1 TYR 3 HE1 TYR 2 28.894 6.687 -2.295
16 HE2 TYR 3 HE2 TYR 2 25.246 7.147 -0.135
17 HH TYR 3 HH TYR 2 27.780 8.598 -0.268
18 H ALA 4 HN ALA 3 22.352 3.368 -3.906
19 HA ALA 4 HA ALA 3 21.855 3.719 -1.176
20 HB1 ALA 4 HB1 ALA 3 19.595 3.146 -1.637
21 HB2 ALA 4 HB2 ALA 3 20.051 2.241 -3.081
22 HB3 ALA 4 HB3 ALA 3 20.212 3.997 -3.053
23 H GLN 5 HN GLN 4 22.261 0.757 -3.084
24 HA GLN 5 HA GLN 4 21.593 -1.055 -1.007
25 HB2 GLN 5 HB2 GLN 4 22.045 -1.317 -3.674
26 HB3 GLN 5 HB1 GLN 4 23.549 -1.961 -3.029
27 HG2 GLN 5 HG2 GLN 4 22.089 -3.791 -3.319
28 HG3 GLN 5 HG1 GLN 4 22.170 -3.477 -1.586
29 HE21 GLN 5 HE21 GLN 4 20.352 -2.810 -0.504
30 HE22 GLN 5 HE22 GLN 4 18.786 -2.751 -1.230
31 H TRP 6 HN TRP 5 24.619 0.446 -2.033
32 HA TRP 6 HA TRP 5 26.448 -1.049 -0.568
33 HB2 TRP 6 HB2 TRP 5 27.248 0.539 -2.167
34 HB3 TRP 6 HB1 TRP 5 26.442 1.870 -1.348
35 HD1 TRP 6 HD1 TRP 5 29.315 -0.643 -0.620
36 HE1 TRP 6 HE1 TRP 5 31.075 0.569 0.811
37 HE3 TRP 6 HE3 TRP 5 26.932 3.841 -0.021
38 HZ2 TRP 6 HZ2 TRP 5 31.412 3.085 2.032
39 HZ3 TRP 6 HZ3 TRP 5 28.046 5.599 1.292
40 HH2 TRP 6 HH2 TRP 5 30.240 5.227 2.295
41 H LEU 7 HN LEU 6 24.504 1.751 0.434
42 HA LEU 7 HA LEU 6 25.595 2.002 3.030
43 HB2 LEU 7 HB2 LEU 6 22.960 2.852 1.844
44 HB3 LEU 7 HB1 LEU 6 23.390 3.192 3.509
45 HG LEU 7 HG LEU 6 24.910 4.160 1.086
46 HD11 LEU 7 HD11 LEU 6 22.767 5.349 2.772
47 HD12 LEU 7 HD12 LEU 6 23.040 5.476 1.035
48 HD13 LEU 7 HD13 LEU 6 24.044 6.396 2.155
49 HD21 LEU 7 HD21 LEU 6 26.390 3.857 2.971
50 HD22 LEU 7 HD22 LEU 6 25.271 4.714 4.029
51 HD23 LEU 7 HD23 LEU 6 26.094 5.578 2.730
52 H ALA 8 HN ALA 7 22.897 0.124 1.734
53 HA ALA 8 HA ALA 7 21.759 -0.722 4.152
54 HB1 ALA 8 HB1 ALA 7 20.335 -1.307 2.517
55 HB2 ALA 8 HB2 ALA 7 21.246 -2.816 2.509
56 HB3 ALA 8 HB3 ALA 7 21.624 -1.554 1.338
57 H ASP 9 HN ASP 8 24.513 -1.969 2.333
58 HA ASP 9 HA ASP 8 24.771 -4.377 3.854
59 HB2 ASP 9 HB2 ASP 8 26.981 -3.058 2.274
60 HB3 ASP 9 HB1 ASP 8 26.792 -4.764 2.657
61 H DAL 10 HN DAL 9 25.549 -1.120 4.521
62 HA DAL 10 HA DAL 9 27.457 -1.927 6.616
63 HB1 DAL 10 HB1 DAL 9 24.871 -1.094 7.067
64 HB2 DAL 10 HB2 DAL 9 25.824 0.367 7.333
65 HB3 DAL 10 HB3 DAL 9 26.182 -1.099 8.245
66 H GLY 11 HN GLY 10 27.539 -0.461 3.834
67 HA2 GLY 11 HA2 GLY 10 28.693 1.281 2.885
68 HA3 GLY 11 HA1 GLY 10 28.407 2.186 4.362
69 HA PRO 12 HA PRO 11 32.921 1.879 4.475
70 HB2 PRO 12 HB2 PRO 11 32.560 3.525 6.903
71 HB3 PRO 12 HB1 PRO 11 33.517 3.850 5.454
72 HG2 PRO 12 HG2 PRO 11 31.244 5.176 5.953
73 HG3 PRO 12 HG1 PRO 11 31.720 4.735 4.303
74 HD2 PRO 12 HD2 PRO 11 29.707 3.445 6.104
75 HD3 PRO 12 HD1 PRO 11 29.620 3.762 4.359
76 H ALA 13 HN ALA 12 30.638 1.174 7.054
77 HA ALA 13 HA ALA 12 32.501 0.100 8.903
78 HB1 ALA 13 HB1 ALA 12 29.560 -0.529 8.701
79 HB2 ALA 13 HB2 ALA 12 30.230 0.891 9.504
80 HB3 ALA 13 HB3 ALA 12 30.599 -0.722 10.113
81 H SER 14 HN SER 13 30.637 -1.342 6.259
82 HA SER 14 HA SER 13 31.219 -4.042 6.946
83 HB2 SER 14 HB2 SER 13 30.412 -4.584 4.681
84 HB3 SER 14 HB1 SER 13 29.316 -3.483 5.511
85 HG SER 14 HG SER 13 30.992 -3.026 3.326
86 H DAL 15 HN DAL 14 32.986 -1.579 5.239
87 HA DAL 15 HA DAL 14 35.266 -3.364 5.014
88 HB1 DAL 15 HB1 DAL 14 35.005 -0.413 4.440
89 HB2 DAL 15 HB2 DAL 14 36.510 -1.333 4.396
90 HB3 DAL 15 HB3 DAL 14 35.635 -1.144 5.917
91 H NVA 16 HN NVA 15 33.083 -1.558 2.905
92 HA NVA 16 HA NVA 15 34.321 -2.859 0.570
93 HB2 NVA 16 HB1 NVA 15 31.377 -2.467 1.144
94 HB3 NVA 16 HB2 NVA 15 32.238 -3.997 1.098
95 HG2 NVA 16 HG1 NVA 15 32.754 -2.954 -1.385
96 HG3 NVA 16 HG2 NVA 15 31.098 -2.429 -1.073
97 HD1 NVA 16 HD1 NVA 15 31.548 -5.197 -0.322
98 HD2 NVA 16 HD2 NVA 15 31.876 -4.894 -2.027
99 HD3 NVA 16 HD3 NVA 15 30.299 -4.490 -1.348
100 HA PRO 17 HA PRO 16 34.635 1.320 -0.913
101 HB2 PRO 17 HB2 PRO 16 35.121 0.776 -3.539
102 HB3 PRO 17 HB1 PRO 16 36.342 0.623 -2.271
103 HG2 PRO 17 HG2 PRO 16 34.663 -1.495 -3.553
104 HG3 PRO 17 HG1 PRO 16 36.383 -1.536 -3.121
105 HD2 PRO 17 HD2 PRO 16 34.476 -2.712 -1.608
106 HD3 PRO 17 HD1 PRO 16 35.945 -2.004 -0.906
107 HA PRO 18 HA PRO 17 30.341 1.974 -2.087
108 HB2 PRO 18 HB2 PRO 17 30.731 4.667 -2.660
109 HB3 PRO 18 HB1 PRO 17 30.312 4.008 -1.078
110 HG2 PRO 18 HG2 PRO 17 32.984 4.794 -2.159
111 HG3 PRO 18 HG1 PRO 17 32.320 5.024 -0.531
112 HD2 PRO 18 HD2 PRO 17 34.096 3.095 -1.028
113 HD3 PRO 18 HD1 PRO 17 32.735 2.814 0.080
114 HA PRO 19 HA PRO 18 30.418 1.451 -6.490
115 HB2 PRO 19 HB2 PRO 18 27.876 3.006 -6.386
116 HB3 PRO 19 HB1 PRO 18 28.207 1.436 -7.128
117 HG2 PRO 19 HG2 PRO 18 26.866 1.602 -4.832
118 HG3 PRO 19 HG1 PRO 18 28.037 0.300 -5.114
119 HD2 PRO 19 HD2 PRO 18 28.300 2.757 -3.442
120 HD3 PRO 19 HD1 PRO 18 28.947 1.128 -3.168
121 H SER 20 HN SER 19 31.790 2.641 -7.659
122 HA SER 20 HA SER 19 31.213 5.507 -8.013
123 HB2 SER 20 HB2 SER 19 33.794 5.686 -8.327
124 HB3 SER 20 HB1 SER 19 33.138 5.604 -6.693
125 HG SER 20 HG SER 19 34.753 3.843 -8.019
126 HN1 NH2 21 H2 SER 19 33.164 2.862 -9.405
127 HN2 NH2 21 H1 SER 19 32.810 3.244 -11.052