NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
554223 |
2m1f   |
18861 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 H1 ACE 1 1.832 0.344 -0.252
2 H2 ACE 1 H2 ACE 1 3.144 -0.043 -1.365
3 H3 ACE 1 H3 ACE 1 1.653 -0.984 -1.398
4 H PHE 2 H PHE 2 0.498 -0.534 -3.155
5 HA PHE 2 HA PHE 2 0.844 1.770 -4.738
6 HB2 PHE 2 HB2 PHE 2 -0.090 -0.510 -5.436
7 HB3 PHE 2 HB3 PHE 2 -1.623 0.038 -4.766
8 HD1 PHE 2 HD1 PHE 2 -2.617 2.193 -5.694
9 HD2 PHE 2 HD2 PHE 2 0.524 0.050 -7.607
10 HE1 PHE 2 HE1 PHE 2 -3.142 3.324 -7.816
11 HE2 PHE 2 HE2 PHE 2 0.004 1.177 -9.731
12 HZ PHE 2 HZ PHE 2 -1.830 2.817 -9.837
13 H AIB 3 H AIB 3 -1.898 0.811 -2.669
14 HB11 AIB 3 HB11 AIB 3 -4.553 1.456 -1.732
15 HB12 AIB 3 HB12 AIB 3 -3.991 2.449 -0.387
16 HB13 AIB 3 HB13 AIB 3 -3.103 0.993 -0.840
17 HB21 AIB 3 HB21 AIB 3 -4.149 2.505 -3.855
18 HB22 AIB 3 HB22 AIB 3 -3.137 3.949 -3.848
19 HB23 AIB 3 HB23 AIB 3 -4.515 3.833 -2.754
20 H AIB 4 H AIB 4 -0.915 2.387 -0.535
21 HB11 AIB 4 HB11 AIB 4 0.924 4.132 1.912
22 HB12 AIB 4 HB12 AIB 4 1.546 3.335 0.467
23 HB13 AIB 4 HB13 AIB 4 0.227 2.602 1.381
24 HB21 AIB 4 HB21 AIB 4 -0.717 5.592 1.860
25 HB22 AIB 4 HB22 AIB 4 -1.989 4.403 1.575
26 HB23 AIB 4 HB23 AIB 4 -1.836 5.803 0.513
27 H AIB 5 H AIB 5 0.734 3.774 -2.031
28 HB11 AIB 5 HB11 AIB 5 1.475 5.147 -4.928
29 HB12 AIB 5 HB12 AIB 5 1.514 3.700 -3.920
30 HB13 AIB 5 HB13 AIB 5 2.987 4.636 -4.176
31 HB21 AIB 5 HB21 AIB 5 3.529 6.441 -2.973
32 HB22 AIB 5 HB22 AIB 5 3.386 5.232 -1.697
33 HB23 AIB 5 HB23 AIB 5 2.661 6.826 -1.487
34 H DIV 6 H DIV 6 -0.934 5.643 -2.991
35 HB11 DIV 6 HB11 DIV 6 -0.440 8.423 -5.264
36 HB12 DIV 6 HB12 DIV 6 -2.177 8.523 -5.426
37 HG11 DIV 6 HG11 DIV 6 -0.333 6.401 -6.237
38 HG12 DIV 6 HG12 DIV 6 -1.903 6.860 -6.896
39 HG13 DIV 6 HG13 DIV 6 -1.813 5.834 -5.464
40 HB21 DIV 6 HB21 DIV 6 -3.132 7.128 -2.284
41 HB22 DIV 6 HB22 DIV 6 -3.077 6.107 -3.720
42 HB23 DIV 6 HB23 DIV 6 -3.642 7.773 -3.844
43 H GLY 7 H GLY 7 -0.653 7.721 -1.243
44 HA2 GLY 7 HA2 GLY 7 -1.384 10.272 -0.458
45 HA3 GLY 7 HA3 GLY 7 -0.013 9.390 0.199
46 H LEU 8 H LEU 8 1.434 9.265 -2.305
47 HA LEU 8 HA LEU 8 2.741 11.807 -2.144
48 HB2 LEU 8 HB2 LEU 8 3.178 9.557 -4.101
49 HB3 LEU 8 HB3 LEU 8 4.271 10.905 -3.800
50 HG LEU 8 HG LEU 8 3.711 8.509 -2.092
51 HD11 LEU 8 HD11 LEU 8 5.545 8.241 -3.562
52 HD12 LEU 8 HD12 LEU 8 6.227 8.582 -1.972
53 HD13 LEU 8 HD13 LEU 8 6.167 9.851 -3.196
54 HD21 LEU 8 HD21 LEU 8 3.463 10.137 -0.454
55 HD22 LEU 8 HD22 LEU 8 4.630 11.221 -1.212
56 HD23 LEU 8 HD23 LEU 8 5.186 9.765 -0.387
57 H AIB 9 H AIB 9 0.347 10.380 -4.197
58 HB11 AIB 9 HB11 AIB 9 -0.184 9.913 -6.630
59 HB12 AIB 9 HB12 AIB 9 -1.206 11.154 -7.356
60 HB13 AIB 9 HB13 AIB 9 -1.661 10.428 -5.814
61 HB21 AIB 9 HB21 AIB 9 1.126 13.499 -6.344
62 HB22 AIB 9 HB22 AIB 9 0.565 12.447 -7.644
63 HB23 AIB 9 HB23 AIB 9 1.888 11.929 -6.599
64 H AIB 10 H AIB 10 -0.866 12.167 -3.312
65 HB11 AIB 10 HB11 AIB 10 -1.792 14.347 -1.211
66 HB12 AIB 10 HB12 AIB 10 -1.775 12.612 -1.527
67 HB13 AIB 10 HB13 AIB 10 -3.308 13.481 -1.455
68 HB21 AIB 10 HB21 AIB 10 -3.908 12.661 -3.785
69 HB22 AIB 10 HB22 AIB 10 -3.530 13.964 -4.912
70 HB23 AIB 10 HB23 AIB 10 -4.264 14.333 -3.351
71 HA HYP 11 HA HYP 11 -0.199 17.515 -2.586
72 HB2 HYP 11 HB2 HYP 11 2.304 16.335 -3.668
73 HB3 HYP 11 HB3 HYP 11 2.063 17.358 -2.247
74 HG HYP 11 HG HYP 11 2.310 14.558 -2.292
75 HD22 HYP 11 HD22 HYP 11 0.709 13.669 -3.137
76 HD23 HYP 11 HD23 HYP 11 0.053 14.092 -1.543
77 HD1 HYP 11 HD1 HYP 11 1.206 16.222 -0.241
78 H GLN 12 H GLN 12 -0.185 15.429 -5.339
79 HA GLN 12 HA GLN 12 0.570 17.539 -7.187
80 HB2 GLN 12 HB2 GLN 12 -0.075 14.621 -7.476
81 HB3 GLN 12 HB3 GLN 12 -0.018 15.668 -8.887
82 HG2 GLN 12 HG2 GLN 12 2.230 15.179 -6.947
83 HG3 GLN 12 HG3 GLN 12 2.088 14.513 -8.573
84 HE21 GLN 12 HE21 GLN 12 3.353 16.975 -6.726
85 HE22 GLN 12 HE22 GLN 12 3.762 18.079 -7.990
86 H DIV 13 H DIV 13 -2.259 16.302 -5.760
87 HB11 DIV 13 HB11 DIV 13 -4.127 17.251 -8.961
88 HB12 DIV 13 HB12 DIV 13 -5.366 16.330 -8.143
89 HG11 DIV 13 HG11 DIV 13 -3.455 14.659 -7.629
90 HG12 DIV 13 HG12 DIV 13 -2.617 15.489 -8.941
91 HG13 DIV 13 HG13 DIV 13 -4.165 14.699 -9.243
92 HB21 DIV 13 HB21 DIV 13 -5.006 17.381 -5.034
93 HB22 DIV 13 HB22 DIV 13 -4.222 15.809 -5.195
94 HB23 DIV 13 HB23 DIV 13 -5.661 16.178 -6.146
95 HA HYP 14 HA HYP 14 -4.524 21.181 -6.103
96 HB2 HYP 14 HB2 HYP 14 -2.814 21.972 -4.135
97 HB3 HYP 14 HB3 HYP 14 -4.366 21.190 -3.815
98 HG HYP 14 HG HYP 14 -1.625 20.068 -3.734
99 HD22 HYP 14 HD22 HYP 14 -1.872 18.325 -4.989
100 HD23 HYP 14 HD23 HYP 14 -3.447 17.983 -4.244
101 HD1 HYP 14 HD1 HYP 14 -3.833 18.861 -2.505
102 H AIB 15 H AIB 15 -1.654 19.702 -7.016
103 HB11 AIB 15 HB11 AIB 15 0.200 20.029 -9.595
104 HB12 AIB 15 HB12 AIB 15 -0.032 19.100 -8.114
105 HB13 AIB 15 HB13 AIB 15 1.380 20.142 -8.289
106 HB21 AIB 15 HB21 AIB 15 0.919 21.360 -6.277
107 HB22 AIB 15 HB22 AIB 15 -0.102 22.778 -6.519
108 HB23 AIB 15 HB23 AIB 15 1.246 22.465 -7.612
109 HA PRO 16 HA PRO 16 -1.728 22.752 -11.581
110 HB2 PRO 16 HB2 PRO 16 -4.019 21.481 -12.283
111 HB3 PRO 16 HB3 PRO 16 -2.415 20.811 -12.604
112 HG2 PRO 16 HG2 PRO 16 -4.352 20.137 -10.436
113 HG3 PRO 16 HG3 PRO 16 -3.286 19.066 -11.363
114 HD2 PRO 16 HD2 PRO 16 -2.790 19.919 -8.831
115 HD3 PRO 16 HD3 PRO 16 -1.524 19.427 -9.975
116 H PHL 17 H PHL 17 -3.488 22.471 -8.685
117 HA PHL 17 HA PHL 17 -5.339 24.608 -9.511
118 HC1 PHL 17 HC1 PHL 17 -5.000 25.779 -7.459
119 HC2 PHL 17 HC2 PHL 17 -4.030 24.459 -6.797
120 HO PHL 17 HO PHL 17 -2.591 24.944 -8.699
121 HB2 PHL 17 HB2 PHL 17 -5.576 22.432 -7.447
122 HB3 PHL 17 HB3 PHL 17 -6.582 23.874 -7.369
123 HD1 PHL 17 HD1 PHL 17 -7.940 24.450 -9.487
124 HD2 PHL 17 HD2 PHL 17 -6.243 20.622 -8.720
125 HE1 PHL 17 HE1 PHL 17 -9.519 23.434 -11.077
126 HE2 PHL 17 HE2 PHL 17 -7.819 19.601 -10.309
127 HZ PHL 17 HZ PHL 17 -9.460 21.007 -11.491
Start of MODEL 2
1 H1 ACE 1 H1 ACE 1 2.679 -0.742 -1.658
2 H2 ACE 1 H2 ACE 1 1.246 -0.518 -0.654
3 H3 ACE 1 H3 ACE 1 2.641 0.542 -0.450
4 H PHE 2 H PHE 2 0.495 -0.556 -3.086
5 HA PHE 2 HA PHE 2 0.856 1.741 -4.675
6 HB2 PHE 2 HB2 PHE 2 -0.072 -0.542 -5.372
7 HB3 PHE 2 HB3 PHE 2 -1.611 0.009 -4.718
8 HD1 PHE 2 HD1 PHE 2 1.067 1.262 -6.998
9 HD2 PHE 2 HD2 PHE 2 -3.100 0.908 -6.205
10 HE1 PHE 2 HE1 PHE 2 0.569 2.382 -9.132
11 HE2 PHE 2 HE2 PHE 2 -3.605 2.026 -8.338
12 HZ PHE 2 HZ PHE 2 -1.769 2.764 -9.805
13 H AIB 3 H AIB 3 -1.904 0.791 -2.627
14 HB11 AIB 3 HB11 AIB 3 -4.705 2.208 -1.186
15 HB12 AIB 3 HB12 AIB 3 -3.285 1.870 -0.196
16 HB13 AIB 3 HB13 AIB 3 -3.720 0.782 -1.514
17 HB21 AIB 3 HB21 AIB 3 -3.162 4.009 -3.756
18 HB22 AIB 3 HB22 AIB 3 -4.583 3.715 -2.753
19 HB23 AIB 3 HB23 AIB 3 -4.052 2.493 -3.909
20 H AIB 4 H AIB 4 -0.941 2.377 -0.491
21 HB11 AIB 4 HB11 AIB 4 0.187 2.596 1.428
22 HB12 AIB 4 HB12 AIB 4 0.871 4.129 1.969
23 HB13 AIB 4 HB13 AIB 4 1.515 3.335 0.532
24 HB21 AIB 4 HB21 AIB 4 -0.764 5.595 1.890
25 HB22 AIB 4 HB22 AIB 4 -2.030 4.402 1.604
26 HB23 AIB 4 HB23 AIB 4 -1.874 5.795 0.534
27 H AIB 5 H AIB 5 0.722 3.757 -1.978
28 HB11 AIB 5 HB11 AIB 5 1.518 3.674 -3.860
29 HB12 AIB 5 HB12 AIB 5 2.994 4.608 -4.106
30 HB13 AIB 5 HB13 AIB 5 1.490 5.117 -4.874
31 HB21 AIB 5 HB21 AIB 5 3.522 6.427 -2.906
32 HB22 AIB 5 HB22 AIB 5 3.376 5.214 -1.634
33 HB23 AIB 5 HB23 AIB 5 2.643 6.804 -1.423
34 H DIV 6 H DIV 6 -0.937 5.622 -2.960
35 HB11 DIV 6 HB11 DIV 6 -0.424 8.395 -5.242
36 HB12 DIV 6 HB12 DIV 6 -2.160 8.487 -5.421
37 HG11 DIV 6 HG11 DIV 6 -0.300 6.335 -6.156
38 HG12 DIV 6 HG12 DIV 6 -1.817 6.836 -6.903
39 HG13 DIV 6 HG13 DIV 6 -1.837 5.815 -5.465
40 HB21 DIV 6 HB21 DIV 6 -3.129 7.075 -2.277
41 HB22 DIV 6 HB22 DIV 6 -3.084 6.097 -3.744
42 HB23 DIV 6 HB23 DIV 6 -3.639 7.769 -3.817
43 H GLY 7 H GLY 7 -0.671 7.707 -1.220
44 HA2 GLY 7 HA2 GLY 7 -1.408 10.262 -0.453
45 HA3 GLY 7 HA3 GLY 7 -0.043 9.383 0.220
46 H LEU 8 H LEU 8 1.425 9.246 -2.271
47 HA LEU 8 HA LEU 8 2.732 11.788 -2.110
48 HB2 LEU 8 HB2 LEU 8 3.185 9.529 -4.053
49 HB3 LEU 8 HB3 LEU 8 4.277 10.879 -3.749
50 HG LEU 8 HG LEU 8 3.701 8.491 -2.034
51 HD11 LEU 8 HD11 LEU 8 5.548 8.201 -3.472
52 HD12 LEU 8 HD12 LEU 8 6.223 8.582 -1.889
53 HD13 LEU 8 HD13 LEU 8 6.159 9.822 -3.141
54 HD21 LEU 8 HD21 LEU 8 3.453 10.093 -0.386
55 HD22 LEU 8 HD22 LEU 8 4.573 11.215 -1.161
56 HD23 LEU 8 HD23 LEU 8 5.188 9.780 -0.340
57 H AIB 9 H AIB 9 0.354 10.354 -4.176
58 HB11 AIB 9 HB11 AIB 9 -1.195 11.123 -7.338
59 HB12 AIB 9 HB12 AIB 9 -1.622 10.375 -5.798
60 HB13 AIB 9 HB13 AIB 9 -0.149 9.888 -6.637
61 HB21 AIB 9 HB21 AIB 9 0.604 12.404 -7.631
62 HB22 AIB 9 HB22 AIB 9 1.918 11.890 -6.573
63 HB23 AIB 9 HB23 AIB 9 1.155 13.461 -6.332
64 H AIB 10 H AIB 10 -0.864 12.145 -3.311
65 HB11 AIB 10 HB11 AIB 10 -3.321 13.471 -1.480
66 HB12 AIB 10 HB12 AIB 10 -1.806 14.337 -1.227
67 HB13 AIB 10 HB13 AIB 10 -1.789 12.600 -1.535
68 HB21 AIB 10 HB21 AIB 10 -3.902 12.641 -3.812
69 HB22 AIB 10 HB22 AIB 10 -3.512 13.938 -4.941
70 HB23 AIB 10 HB23 AIB 10 -4.260 14.315 -3.389
71 HA HYP 11 HA HYP 11 -0.198 17.496 -2.603
72 HB2 HYP 11 HB2 HYP 11 2.313 16.309 -3.658
73 HB3 HYP 11 HB3 HYP 11 2.061 17.338 -2.243
74 HG HYP 11 HG HYP 11 2.277 14.523 -2.298
75 HD22 HYP 11 HD22 HYP 11 0.711 13.647 -3.129
76 HD23 HYP 11 HD23 HYP 11 0.042 14.077 -1.542
77 HD1 HYP 11 HD1 HYP 11 1.102 15.602 -0.046
78 H GLN 12 H GLN 12 -0.162 15.398 -5.346
79 HA GLN 12 HA GLN 12 0.611 17.498 -7.197
80 HB2 GLN 12 HB2 GLN 12 -0.035 14.579 -7.478
81 HB3 GLN 12 HB3 GLN 12 0.035 15.620 -8.894
82 HG2 GLN 12 HG2 GLN 12 2.271 15.175 -6.928
83 HG3 GLN 12 HG3 GLN 12 2.136 14.442 -8.525
84 HE21 GLN 12 HE21 GLN 12 2.986 17.240 -6.730
85 HE22 GLN 12 HE22 GLN 12 3.558 18.189 -8.055
86 H DIV 13 H DIV 13 -2.232 16.271 -5.789
87 HB11 DIV 13 HB11 DIV 13 -4.071 17.208 -9.010
88 HB12 DIV 13 HB12 DIV 13 -5.318 16.291 -8.199
89 HG11 DIV 13 HG11 DIV 13 -3.412 14.621 -7.661
90 HG12 DIV 13 HG12 DIV 13 -2.563 15.444 -8.969
91 HG13 DIV 13 HG13 DIV 13 -4.109 14.654 -9.281
92 HB21 DIV 13 HB21 DIV 13 -4.200 15.783 -5.239
93 HB22 DIV 13 HB22 DIV 13 -5.630 16.149 -6.204
94 HB23 DIV 13 HB23 DIV 13 -4.984 17.356 -5.092
95 HA HYP 14 HA HYP 14 -4.488 21.151 -6.173
96 HB2 HYP 14 HB2 HYP 14 -2.794 21.949 -4.194
97 HB3 HYP 14 HB3 HYP 14 -4.350 21.170 -3.885
98 HG HYP 14 HG HYP 14 -1.616 20.062 -3.729
99 HD22 HYP 14 HD22 HYP 14 -1.849 18.297 -5.023
100 HD23 HYP 14 HD23 HYP 14 -3.431 17.960 -4.290
101 HD1 HYP 14 HD1 HYP 14 -4.120 19.718 -2.466
102 H AIB 15 H AIB 15 -1.613 19.665 -7.056
103 HB11 AIB 15 HB11 AIB 15 0.264 19.978 -9.619
104 HB12 AIB 15 HB12 AIB 15 0.019 19.056 -8.136
105 HB13 AIB 15 HB13 AIB 15 1.433 20.095 -8.304
106 HB21 AIB 15 HB21 AIB 15 -0.069 22.716 -6.529
107 HB22 AIB 15 HB22 AIB 15 1.272 22.454 -7.644
108 HB23 AIB 15 HB23 AIB 15 0.987 21.317 -6.327
109 HA PRO 16 HA PRO 16 -1.643 22.693 -11.635
110 HB2 PRO 16 HB2 PRO 16 -3.929 21.421 -12.351
111 HB3 PRO 16 HB3 PRO 16 -2.324 20.748 -12.655
112 HG2 PRO 16 HG2 PRO 16 -4.280 20.086 -10.501
113 HG3 PRO 16 HG3 PRO 16 -3.207 19.009 -11.414
114 HD2 PRO 16 HD2 PRO 16 -2.732 19.875 -8.881
115 HD3 PRO 16 HD3 PRO 16 -1.457 19.376 -10.011
116 H PHL 17 H PHL 17 -3.427 22.430 -8.753
117 HA PHL 17 HA PHL 17 -5.256 24.576 -9.602
118 HC1 PHL 17 HC1 PHL 17 -4.042 24.406 -6.849
119 HC2 PHL 17 HC2 PHL 17 -3.316 25.347 -8.155
120 HO PHL 17 HO PHL 17 -4.705 26.638 -6.859
121 HB2 PHL 17 HB2 PHL 17 -5.570 22.280 -7.728
122 HB3 PHL 17 HB3 PHL 17 -6.421 23.774 -7.349
123 HD1 PHL 17 HD1 PHL 17 -7.442 24.814 -9.732
124 HD2 PHL 17 HD2 PHL 17 -6.939 20.720 -8.682
125 HE1 PHL 17 HE1 PHL 17 -9.230 24.194 -11.305
126 HE2 PHL 17 HE2 PHL 17 -8.725 20.093 -10.254
127 HZ PHL 17 HZ PHL 17 -9.872 21.831 -11.569
Start of MODEL 3
1 H1 ACE 1 H1 ACE 1 2.820 0.472 -0.629
2 H2 ACE 1 H2 ACE 1 2.513 -0.880 -1.718
3 H3 ACE 1 H3 ACE 1 1.281 -0.386 -0.557
4 H PHE 2 H PHE 2 0.495 -0.574 -3.120
5 HA PHE 2 HA PHE 2 0.844 1.727 -4.707
6 HB2 PHE 2 HB2 PHE 2 -0.090 -0.554 -5.402
7 HB3 PHE 2 HB3 PHE 2 -1.623 -0.005 -4.734
8 HD1 PHE 2 HD2 PHE 2 -2.701 2.047 -5.702
9 HD2 PHE 2 HD1 PHE 2 0.613 0.106 -7.538
10 HE1 PHE 2 HE2 PHE 2 -3.223 3.172 -7.827
11 HE2 PHE 2 HE1 PHE 2 0.096 1.230 -9.665
12 HZ PHE 2 HZ PHE 2 -1.824 2.764 -9.812
13 H AIB 3 H AIB 3 -1.900 0.773 -2.639
14 HB11 AIB 3 HB11 AIB 3 -3.506 0.740 -1.353
15 HB12 AIB 3 HB12 AIB 3 -4.728 2.012 -1.357
16 HB13 AIB 3 HB13 AIB 3 -3.424 2.045 -0.170
17 HB21 AIB 3 HB21 AIB 3 -3.163 3.989 -3.755
18 HB22 AIB 3 HB22 AIB 3 -4.575 3.705 -2.737
19 HB23 AIB 3 HB23 AIB 3 -4.063 2.479 -3.896
20 H AIB 4 H AIB 4 -0.919 2.353 -0.507
21 HB11 AIB 4 HB11 AIB 4 0.911 4.097 1.944
22 HB12 AIB 4 HB12 AIB 4 1.545 3.308 0.499
23 HB13 AIB 4 HB13 AIB 4 0.225 2.566 1.402
24 HB21 AIB 4 HB21 AIB 4 -1.992 4.373 1.600
25 HB22 AIB 4 HB22 AIB 4 -1.841 5.769 0.534
26 HB23 AIB 4 HB23 AIB 4 -0.722 5.563 1.881
27 H AIB 5 H AIB 5 0.734 3.736 -2.003
28 HB11 AIB 5 HB11 AIB 5 1.481 5.103 -4.902
29 HB12 AIB 5 HB12 AIB 5 1.514 3.658 -3.892
30 HB13 AIB 5 HB13 AIB 5 2.989 4.590 -4.146
31 HB21 AIB 5 HB21 AIB 5 3.363 5.204 -1.630
32 HB22 AIB 5 HB22 AIB 5 2.665 6.819 -1.497
33 HB23 AIB 5 HB23 AIB 5 3.549 6.357 -2.951
34 H DIV 6 H DIV 6 -0.933 5.604 -2.968
35 HB11 DIV 6 HB11 DIV 6 -0.434 8.378 -5.247
36 HB12 DIV 6 HB12 DIV 6 -2.171 8.479 -5.411
37 HG11 DIV 6 HG11 DIV 6 -2.186 5.981 -5.715
38 HG12 DIV 6 HG12 DIV 6 -0.427 6.069 -5.815
39 HG13 DIV 6 HG13 DIV 6 -1.422 6.909 -7.005
40 HB21 DIV 6 HB21 DIV 6 -3.631 7.646 -3.936
41 HB22 DIV 6 HB22 DIV 6 -3.176 7.221 -2.286
42 HB23 DIV 6 HB23 DIV 6 -3.036 6.025 -3.575
43 H GLY 7 H GLY 7 -0.653 7.685 -1.224
44 HA2 GLY 7 HA2 GLY 7 -1.383 10.238 -0.445
45 HA3 GLY 7 HA3 GLY 7 -0.013 9.356 0.215
46 H LEU 8 H LEU 8 1.436 9.225 -2.287
47 HA LEU 8 HA LEU 8 2.745 11.767 -2.130
48 HB2 LEU 8 HB2 LEU 8 3.183 9.513 -4.082
49 HB3 LEU 8 HB3 LEU 8 4.277 10.862 -3.782
50 HG LEU 8 HG LEU 8 3.713 8.469 -2.070
51 HD11 LEU 8 HD11 LEU 8 5.549 8.200 -3.539
52 HD12 LEU 8 HD12 LEU 8 6.228 8.539 -1.948
53 HD13 LEU 8 HD13 LEU 8 6.172 9.808 -3.171
54 HD21 LEU 8 HD21 LEU 8 5.194 9.733 -0.371
55 HD22 LEU 8 HD22 LEU 8 3.468 10.089 -0.429
56 HD23 LEU 8 HD23 LEU 8 4.621 11.184 -1.194
57 H AIB 9 H AIB 9 0.352 10.338 -4.182
58 HB11 AIB 9 HB11 AIB 9 -0.173 9.872 -6.627
59 HB12 AIB 9 HB12 AIB 9 -1.208 11.111 -7.338
60 HB13 AIB 9 HB13 AIB 9 -1.646 10.374 -5.796
61 HB21 AIB 9 HB21 AIB 9 0.576 12.398 -7.633
62 HB22 AIB 9 HB22 AIB 9 1.897 11.881 -6.586
63 HB23 AIB 9 HB23 AIB 9 1.136 13.452 -6.335
64 H AIB 10 H AIB 10 -0.860 12.127 -3.303
65 HB11 AIB 10 HB11 AIB 10 -3.304 13.446 -1.451
66 HB12 AIB 10 HB12 AIB 10 -1.788 14.312 -1.206
67 HB13 AIB 10 HB13 AIB 10 -1.771 12.576 -1.519
68 HB21 AIB 10 HB21 AIB 10 -3.902 12.622 -3.780
69 HB22 AIB 10 HB22 AIB 10 -3.522 13.923 -4.909
70 HB23 AIB 10 HB23 AIB 10 -4.257 14.295 -3.350
71 HA HYP 11 HA HYP 11 -0.191 17.476 -2.586
72 HB2 HYP 11 HB2 HYP 11 2.313 16.292 -3.663
73 HB3 HYP 11 HB3 HYP 11 2.070 17.318 -2.244
74 HG HYP 11 HG HYP 11 2.315 14.517 -2.284
75 HD22 HYP 11 HD22 HYP 11 0.715 13.629 -3.129
76 HD23 HYP 11 HD23 HYP 11 0.058 14.055 -1.536
77 HD1 HYP 11 HD1 HYP 11 2.604 15.035 -0.240
78 H GLN 12 H GLN 12 -0.175 15.385 -5.334
79 HA GLN 12 HA GLN 12 0.583 17.490 -7.186
80 HB2 GLN 12 HB2 GLN 12 -0.064 14.572 -7.470
81 HB3 GLN 12 HB3 GLN 12 -0.004 15.617 -8.883
82 HG2 GLN 12 HG2 GLN 12 2.244 15.154 -6.936
83 HG3 GLN 12 HG3 GLN 12 2.100 14.446 -8.545
84 HE21 GLN 12 HE21 GLN 12 3.180 17.082 -6.725
85 HE22 GLN 12 HE22 GLN 12 3.659 18.104 -8.033
86 H DIV 13 H DIV 13 -2.248 16.258 -5.760
87 HB11 DIV 13 HB11 DIV 13 -4.112 17.202 -8.964
88 HB12 DIV 13 HB12 DIV 13 -5.353 16.283 -8.146
89 HG11 DIV 13 HG11 DIV 13 -2.603 15.439 -8.940
90 HG12 DIV 13 HG12 DIV 13 -4.151 14.650 -9.242
91 HG13 DIV 13 HG13 DIV 13 -3.443 14.612 -7.628
92 HB21 DIV 13 HB21 DIV 13 -4.996 17.340 -5.039
93 HB22 DIV 13 HB22 DIV 13 -4.212 15.768 -5.196
94 HB23 DIV 13 HB23 DIV 13 -5.650 16.136 -6.150
95 HA HYP 14 HA HYP 14 -4.510 21.138 -6.114
96 HB2 HYP 14 HB2 HYP 14 -2.801 21.931 -4.145
97 HB3 HYP 14 HB3 HYP 14 -4.355 21.152 -3.827
98 HG HYP 14 HG HYP 14 -1.610 19.990 -3.829
99 HD22 HYP 14 HD22 HYP 14 -1.861 18.282 -4.992
100 HD23 HYP 14 HD23 HYP 14 -3.437 17.943 -4.248
101 HD1 HYP 14 HD1 HYP 14 -2.309 19.765 -1.822
102 H AIB 15 H AIB 15 -1.641 19.656 -7.022
103 HB11 AIB 15 HB11 AIB 15 -0.017 19.050 -8.116
104 HB12 AIB 15 HB12 AIB 15 1.396 20.091 -8.292
105 HB13 AIB 15 HB13 AIB 15 0.218 19.976 -9.599
106 HB21 AIB 15 HB21 AIB 15 -0.086 22.735 -6.532
107 HB22 AIB 15 HB22 AIB 15 1.265 22.412 -7.619
108 HB23 AIB 15 HB23 AIB 15 0.929 21.315 -6.279
109 HA PRO 16 HA PRO 16 -1.706 22.696 -11.592
110 HB2 PRO 16 HB2 PRO 16 -3.997 21.425 -12.295
111 HB3 PRO 16 HB3 PRO 16 -2.393 20.754 -12.613
112 HG2 PRO 16 HG2 PRO 16 -4.333 20.085 -10.446
113 HG3 PRO 16 HG3 PRO 16 -3.267 19.011 -11.370
114 HD2 PRO 16 HD2 PRO 16 -2.773 19.870 -8.838
115 HD3 PRO 16 HD3 PRO 16 -1.506 19.375 -9.980
116 H PHL 17 H PHL 17 -3.468 22.425 -8.698
117 HA PHL 17 HA PHL 17 -5.191 24.679 -9.494
118 HC1 PHL 17 HC1 PHL 17 -4.412 24.198 -6.643
119 HC2 PHL 17 HC2 PHL 17 -3.288 25.010 -7.736
120 HO PHL 17 HO PHL 17 -5.065 26.237 -6.431
121 HB2 PHL 17 HB2 PHL 17 -5.795 22.222 -7.914
122 HB3 PHL 17 HB3 PHL 17 -6.602 23.718 -7.457
123 HD1 PHL 17 HD1 PHL 17 -7.103 20.847 -9.181
124 HD2 PHL 17 HD2 PHL 17 -7.377 25.054 -9.764
125 HE1 PHL 17 HE1 PHL 17 -8.761 20.488 -10.964
126 HE2 PHL 17 HE2 PHL 17 -9.036 24.702 -11.547
127 HZ PHL 17 HZ PHL 17 -9.730 22.417 -12.148
Start of MODEL 4
1 H1 ACE 1 H1 ACE 1 2.607 0.553 -0.498
2 H2 ACE 1 H2 ACE 1 2.679 -0.715 -1.721
3 H3 ACE 1 H3 ACE 1 1.231 -0.525 -0.733
4 H PHE 2 H PHE 2 0.477 -0.537 -3.148
5 HA PHE 2 HA PHE 2 0.836 1.766 -4.730
6 HB2 PHE 2 HB2 PHE 2 -0.093 -0.516 -5.432
7 HB3 PHE 2 HB3 PHE 2 -1.631 0.035 -4.777
8 HD1 PHE 2 HD2 PHE 2 -2.847 1.870 -5.834
9 HD2 PHE 2 HD1 PHE 2 0.775 0.361 -7.482
10 HE1 PHE 2 HE2 PHE 2 -3.350 2.996 -7.963
11 HE2 PHE 2 HE1 PHE 2 0.278 1.485 -9.613
12 HZ PHE 2 HZ PHE 2 -1.787 2.804 -9.856
13 H AIB 3 H AIB 3 -1.922 0.808 -2.681
14 HB11 AIB 3 HB11 AIB 3 -3.164 0.956 -0.913
15 HB12 AIB 3 HB12 AIB 3 -4.616 1.509 -1.748
16 HB13 AIB 3 HB13 AIB 3 -3.979 2.429 -0.385
17 HB21 AIB 3 HB21 AIB 3 -4.097 2.510 -3.937
18 HB22 AIB 3 HB22 AIB 3 -3.172 4.007 -3.819
19 HB23 AIB 3 HB23 AIB 3 -4.584 3.760 -2.792
20 H AIB 4 H AIB 4 -0.956 2.386 -0.541
21 HB11 AIB 4 HB11 AIB 4 0.866 4.134 1.918
22 HB12 AIB 4 HB12 AIB 4 1.496 3.331 0.479
23 HB13 AIB 4 HB13 AIB 4 0.170 2.603 1.386
24 HB21 AIB 4 HB21 AIB 4 -1.884 5.804 0.498
25 HB22 AIB 4 HB22 AIB 4 -0.777 5.590 1.855
26 HB23 AIB 4 HB23 AIB 4 -2.047 4.403 1.558
27 H AIB 5 H AIB 5 0.706 3.772 -2.025
28 HB11 AIB 5 HB11 AIB 5 2.975 4.630 -4.151
29 HB12 AIB 5 HB12 AIB 5 1.471 5.143 -4.916
30 HB13 AIB 5 HB13 AIB 5 1.499 3.696 -3.908
31 HB21 AIB 5 HB21 AIB 5 3.507 6.440 -2.946
32 HB22 AIB 5 HB22 AIB 5 3.356 5.230 -1.672
33 HB23 AIB 5 HB23 AIB 5 2.627 6.822 -1.466
34 H DIV 6 H DIV 6 -0.955 5.640 -2.998
35 HB11 DIV 6 HB11 DIV 6 -0.443 8.418 -5.270
36 HB12 DIV 6 HB12 DIV 6 -2.178 8.518 -5.446
37 HG11 DIV 6 HG11 DIV 6 -1.643 5.790 -5.421
38 HG12 DIV 6 HG12 DIV 6 -0.353 6.502 -6.390
39 HG13 DIV 6 HG13 DIV 6 -2.040 6.786 -6.821
40 HB21 DIV 6 HB21 DIV 6 -3.643 7.641 -4.024
41 HB22 DIV 6 HB22 DIV 6 -3.224 7.308 -2.343
42 HB23 DIV 6 HB23 DIV 6 -3.041 6.048 -3.564
43 H GLY 7 H GLY 7 -0.688 7.719 -1.250
44 HA2 GLY 7 HA2 GLY 7 -1.425 10.270 -0.472
45 HA3 GLY 7 HA3 GLY 7 -0.059 9.389 0.195
46 H LEU 8 H LEU 8 1.407 9.263 -2.297
47 HA LEU 8 HA LEU 8 2.713 11.805 -2.128
48 HB2 LEU 8 HB2 LEU 8 3.165 9.554 -4.080
49 HB3 LEU 8 HB3 LEU 8 4.256 10.903 -3.771
50 HG LEU 8 HG LEU 8 3.683 8.507 -2.067
51 HD11 LEU 8 HD11 LEU 8 5.529 8.240 -3.522
52 HD12 LEU 8 HD12 LEU 8 6.197 8.580 -1.926
53 HD13 LEU 8 HD13 LEU 8 6.147 9.849 -3.149
54 HD21 LEU 8 HD21 LEU 8 5.188 9.807 -0.380
55 HD22 LEU 8 HD22 LEU 8 3.445 10.076 -0.398
56 HD23 LEU 8 HD23 LEU 8 4.524 11.231 -1.181
57 H AIB 9 H AIB 9 0.335 10.376 -4.198
58 HB11 AIB 9 HB11 AIB 9 -1.192 11.148 -7.370
59 HB12 AIB 9 HB12 AIB 9 -1.661 10.424 -5.832
60 HB13 AIB 9 HB13 AIB 9 -0.177 9.907 -6.634
61 HB21 AIB 9 HB21 AIB 9 1.895 11.924 -6.590
62 HB22 AIB 9 HB22 AIB 9 1.130 13.494 -6.341
63 HB23 AIB 9 HB23 AIB 9 0.580 12.441 -7.645
64 H AIB 10 H AIB 10 -0.885 12.163 -3.325
65 HB11 AIB 10 HB11 AIB 10 -3.343 13.477 -1.487
66 HB12 AIB 10 HB12 AIB 10 -1.828 14.345 -1.232
67 HB13 AIB 10 HB13 AIB 10 -1.808 12.610 -1.546
68 HB21 AIB 10 HB21 AIB 10 -4.284 14.328 -3.391
69 HB22 AIB 10 HB22 AIB 10 -3.924 12.656 -3.822
70 HB23 AIB 10 HB23 AIB 10 -3.537 13.959 -4.946
71 HA HYP 11 HA HYP 11 -0.226 17.512 -2.597
72 HB2 HYP 11 HB2 HYP 11 2.286 16.332 -3.658
73 HB3 HYP 11 HB3 HYP 11 2.033 17.356 -2.239
74 HG HYP 11 HG HYP 11 2.297 14.565 -2.267
75 HD22 HYP 11 HD22 HYP 11 0.688 13.666 -3.138
76 HD23 HYP 11 HD23 HYP 11 0.019 14.090 -1.549
77 HD1 HYP 11 HD1 HYP 11 2.710 15.400 -0.321
78 H GLN 12 H GLN 12 -0.189 15.425 -5.347
79 HA GLN 12 HA GLN 12 0.579 17.533 -7.191
80 HB2 GLN 12 HB2 GLN 12 -0.063 14.615 -7.483
81 HB3 GLN 12 HB3 GLN 12 0.005 15.661 -8.895
82 HG2 GLN 12 HG2 GLN 12 2.231 15.112 -6.947
83 HG3 GLN 12 HG3 GLN 12 2.112 14.546 -8.612
84 HE21 GLN 12 HE21 GLN 12 3.508 16.779 -6.661
85 HE22 GLN 12 HE22 GLN 12 3.877 17.999 -7.827
86 H DIV 13 H DIV 13 -2.260 16.296 -5.785
87 HB11 DIV 13 HB11 DIV 13 -4.103 17.243 -9.001
88 HB12 DIV 13 HB12 DIV 13 -5.349 16.322 -8.193
89 HG11 DIV 13 HG11 DIV 13 -3.441 14.652 -7.663
90 HG12 DIV 13 HG12 DIV 13 -2.593 15.481 -8.969
91 HG13 DIV 13 HG13 DIV 13 -4.139 14.691 -9.282
92 HB21 DIV 13 HB21 DIV 13 -5.659 16.172 -6.198
93 HB22 DIV 13 HB22 DIV 13 -5.013 17.375 -5.082
94 HB23 DIV 13 HB23 DIV 13 -4.228 15.803 -5.236
95 HA HYP 14 HA HYP 14 -4.524 21.175 -6.149
96 HB2 HYP 14 HB2 HYP 14 -2.830 21.967 -4.168
97 HB3 HYP 14 HB3 HYP 14 -4.385 21.185 -3.860
98 HG HYP 14 HG HYP 14 -1.639 20.020 -3.860
99 HD22 HYP 14 HD22 HYP 14 -1.880 18.320 -5.012
100 HD23 HYP 14 HD23 HYP 14 -3.461 17.978 -4.280
101 HD1 HYP 14 HD1 HYP 14 -3.504 18.761 -2.359
102 H AIB 15 H AIB 15 -1.647 19.696 -7.040
103 HB11 AIB 15 HB11 AIB 15 0.227 20.022 -9.603
104 HB12 AIB 15 HB12 AIB 15 -0.016 19.093 -8.123
105 HB13 AIB 15 HB13 AIB 15 1.397 20.136 -8.288
106 HB21 AIB 15 HB21 AIB 15 1.489 21.961 -7.398
107 HB22 AIB 15 HB22 AIB 15 0.446 21.597 -6.022
108 HB23 AIB 15 HB23 AIB 15 0.141 23.029 -7.005
109 HA PRO 16 HA PRO 16 -1.685 22.743 -11.606
110 HB2 PRO 16 HB2 PRO 16 -3.970 21.471 -12.326
111 HB3 PRO 16 HB3 PRO 16 -2.363 20.801 -12.634
112 HG2 PRO 16 HG2 PRO 16 -4.318 20.127 -10.481
113 HG3 PRO 16 HG3 PRO 16 -3.244 19.056 -11.399
114 HD2 PRO 16 HD2 PRO 16 -2.769 19.912 -8.863
115 HD3 PRO 16 HD3 PRO 16 -1.494 19.419 -9.996
116 H PHL 17 H PHL 17 -3.467 22.465 -8.724
117 HA PHL 17 HA PHL 17 -5.353 24.557 -9.573
118 HC1 PHL 17 HC1 PHL 17 -4.640 24.881 -6.804
119 HC2 PHL 17 HC2 PHL 17 -3.191 24.927 -7.814
120 HO PHL 17 HO PHL 17 -3.902 26.984 -7.885
121 HB2 PHL 17 HB2 PHL 17 -5.486 22.451 -7.431
122 HB3 PHL 17 HB3 PHL 17 -6.511 23.881 -7.356
123 HD1 PHL 17 HD1 PHL 17 -7.455 24.361 -9.962
124 HD2 PHL 17 HD2 PHL 17 -6.668 20.613 -8.104
125 HE1 PHL 17 HE1 PHL 17 -9.075 23.279 -11.466
126 HE2 PHL 17 HE2 PHL 17 -8.285 19.525 -9.605
127 HZ PHL 17 HZ PHL 17 -9.491 20.858 -11.289
Start of MODEL 5
1 H1 ACE 1 H1 ACE 1 1.411 -0.806 -1.026
2 H2 ACE 1 H2 ACE 1 2.306 0.528 -0.297
3 H3 ACE 1 H3 ACE 1 3.032 -0.413 -1.601
4 H PHE 2 H PHE 2 0.518 -0.546 -3.109
5 HA PHE 2 HA PHE 2 0.850 1.754 -4.703
6 HB2 PHE 2 HB2 PHE 2 -0.092 -0.533 -5.379
7 HB3 PHE 2 HB3 PHE 2 -1.620 0.027 -4.707
8 HD1 PHE 2 HD2 PHE 2 0.867 0.549 -7.359
9 HD2 PHE 2 HD1 PHE 2 -2.959 1.640 -5.844
10 HE1 PHE 2 HE2 PHE 2 0.344 1.664 -9.489
11 HE2 PHE 2 HE1 PHE 2 -3.487 2.756 -7.972
12 HZ PHE 2 HZ PHE 2 -1.834 2.770 -9.798
13 H AIB 3 H AIB 3 -1.873 0.800 -2.607
14 HB11 AIB 3 HB11 AIB 3 -4.048 0.959 -1.651
15 HB12 AIB 3 HB12 AIB 3 -4.454 2.430 -0.767
16 HB13 AIB 3 HB13 AIB 3 -3.030 1.494 -0.314
17 HB21 AIB 3 HB21 AIB 3 -3.143 3.996 -3.732
18 HB22 AIB 3 HB22 AIB 3 -4.538 3.752 -2.682
19 HB23 AIB 3 HB23 AIB 3 -4.070 2.499 -3.831
20 H AIB 4 H AIB 4 -0.873 2.384 -0.487
21 HB11 AIB 4 HB11 AIB 4 1.148 4.210 1.808
22 HB12 AIB 4 HB12 AIB 4 1.494 3.145 0.446
23 HB13 AIB 4 HB13 AIB 4 0.225 2.723 1.595
24 HB21 AIB 4 HB21 AIB 4 -1.927 4.406 1.629
25 HB22 AIB 4 HB22 AIB 4 -1.790 5.800 0.558
26 HB23 AIB 4 HB23 AIB 4 -0.656 5.600 1.893
27 H AIB 5 H AIB 5 0.763 3.767 -2.002
28 HB11 AIB 5 HB11 AIB 5 1.480 5.130 -4.909
29 HB12 AIB 5 HB12 AIB 5 1.526 3.686 -3.897
30 HB13 AIB 5 HB13 AIB 5 2.997 4.621 -4.167
31 HB21 AIB 5 HB21 AIB 5 2.693 6.822 -1.485
32 HB22 AIB 5 HB22 AIB 5 3.549 6.430 -2.976
33 HB23 AIB 5 HB23 AIB 5 3.416 5.227 -1.693
34 H DIV 6 H DIV 6 -0.914 5.632 -2.953
35 HB11 DIV 6 HB11 DIV 6 -0.440 8.403 -5.240
36 HB12 DIV 6 HB12 DIV 6 -2.178 8.503 -5.388
37 HG11 DIV 6 HG11 DIV 6 -1.763 6.883 -6.922
38 HG12 DIV 6 HG12 DIV 6 -1.966 5.867 -5.495
39 HG13 DIV 6 HG13 DIV 6 -0.347 6.276 -6.063
40 HB21 DIV 6 HB21 DIV 6 -3.066 6.095 -3.674
41 HB22 DIV 6 HB22 DIV 6 -3.631 7.763 -3.783
42 HB23 DIV 6 HB23 DIV 6 -3.104 7.110 -2.232
43 H GLY 7 H GLY 7 -0.619 7.715 -1.215
44 HA2 GLY 7 HA2 GLY 7 -1.344 10.269 -0.432
45 HA3 GLY 7 HA3 GLY 7 0.033 9.390 0.215
46 H LEU 8 H LEU 8 1.458 9.257 -2.301
47 HA LEU 8 HA LEU 8 2.765 11.800 -2.160
48 HB2 LEU 8 HB2 LEU 8 3.186 9.544 -4.113
49 HB3 LEU 8 HB3 LEU 8 4.282 10.894 -3.826
50 HG LEU 8 HG LEU 8 3.737 8.503 -2.106
51 HD11 LEU 8 HD11 LEU 8 6.252 8.572 -2.009
52 HD12 LEU 8 HD12 LEU 8 6.185 9.844 -3.228
53 HD13 LEU 8 HD13 LEU 8 5.558 8.237 -3.595
54 HD21 LEU 8 HD21 LEU 8 3.510 10.112 -0.458
55 HD22 LEU 8 HD22 LEU 8 4.634 11.223 -1.242
56 HD23 LEU 8 HD23 LEU 8 5.242 9.781 -0.428
57 H AIB 9 H AIB 9 0.354 10.365 -4.187
58 HB11 AIB 9 HB11 AIB 9 -0.200 9.887 -6.608
59 HB12 AIB 9 HB12 AIB 9 -1.222 11.126 -7.337
60 HB13 AIB 9 HB13 AIB 9 -1.671 10.411 -5.789
61 HB21 AIB 9 HB21 AIB 9 0.541 12.421 -7.643
62 HB22 AIB 9 HB22 AIB 9 1.874 11.906 -6.608
63 HB23 AIB 9 HB23 AIB 9 1.113 13.477 -6.352
64 H AIB 10 H AIB 10 -0.852 12.154 -3.298
65 HB11 AIB 10 HB11 AIB 10 -3.279 13.474 -1.424
66 HB12 AIB 10 HB12 AIB 10 -1.761 14.342 -1.196
67 HB13 AIB 10 HB13 AIB 10 -1.746 12.606 -1.506
68 HB21 AIB 10 HB21 AIB 10 -3.899 12.646 -3.746
69 HB22 AIB 10 HB22 AIB 10 -3.531 13.945 -4.880
70 HB23 AIB 10 HB23 AIB 10 -4.252 14.319 -3.315
71 HA HYP 11 HA HYP 11 -0.182 17.505 -2.596
72 HB2 HYP 11 HB2 HYP 11 2.313 16.323 -3.695
73 HB3 HYP 11 HB3 HYP 11 2.083 17.350 -2.276
74 HG HYP 11 HG HYP 11 2.321 14.545 -2.322
75 HD22 HYP 11 HD22 HYP 11 0.724 13.658 -3.141
76 HD23 HYP 11 HD23 HYP 11 0.081 14.086 -1.543
77 HD1 HYP 11 HD1 HYP 11 1.424 15.042 -0.007
78 H GLN 12 H GLN 12 -0.190 15.410 -5.341
79 HA GLN 12 HA GLN 12 0.547 17.514 -7.203
80 HB2 GLN 12 HB2 GLN 12 -0.099 14.594 -7.476
81 HB3 GLN 12 HB3 GLN 12 -0.055 15.637 -8.892
82 HG2 GLN 12 HG2 GLN 12 2.208 15.130 -6.973
83 HG3 GLN 12 HG3 GLN 12 2.055 14.499 -8.612
84 HE21 GLN 12 HE21 GLN 12 3.217 16.999 -6.689
85 HE22 GLN 12 HE22 GLN 12 3.665 18.099 -7.944
86 H DIV 13 H DIV 13 -2.269 16.280 -5.747
87 HB11 DIV 13 HB11 DIV 13 -4.164 17.217 -8.935
88 HB12 DIV 13 HB12 DIV 13 -5.396 16.298 -8.103
89 HG11 DIV 13 HG11 DIV 13 -4.204 14.665 -9.208
90 HG12 DIV 13 HG12 DIV 13 -3.480 14.630 -7.601
91 HG13 DIV 13 HG13 DIV 13 -2.654 15.456 -8.922
92 HB21 DIV 13 HB21 DIV 13 -4.227 15.789 -5.164
93 HB22 DIV 13 HB22 DIV 13 -5.674 16.154 -6.103
94 HB23 DIV 13 HB23 DIV 13 -5.010 17.361 -5.001
95 HA HYP 14 HA HYP 14 -4.539 21.157 -6.087
96 HB2 HYP 14 HB2 HYP 14 -2.812 21.956 -4.137
97 HB3 HYP 14 HB3 HYP 14 -4.361 21.175 -3.801
98 HG HYP 14 HG HYP 14 -1.615 20.022 -3.817
99 HD22 HYP 14 HD22 HYP 14 -1.876 18.306 -4.986
100 HD23 HYP 14 HD23 HYP 14 -3.444 17.966 -4.227
101 HD1 HYP 14 HD1 HYP 14 -2.297 19.731 -1.817
102 H AIB 15 H AIB 15 -1.676 19.677 -7.020
103 HB11 AIB 15 HB11 AIB 15 -0.063 19.071 -8.130
104 HB12 AIB 15 HB12 AIB 15 1.347 20.113 -8.321
105 HB13 AIB 15 HB13 AIB 15 0.155 19.995 -9.616
106 HB21 AIB 15 HB21 AIB 15 -0.128 22.728 -6.516
107 HB22 AIB 15 HB22 AIB 15 1.193 22.471 -7.656
108 HB23 AIB 15 HB23 AIB 15 0.933 21.331 -6.335
109 HA PRO 16 HA PRO 16 -1.791 22.711 -11.594
110 HB2 PRO 16 HB2 PRO 16 -4.087 21.437 -12.273
111 HB3 PRO 16 HB3 PRO 16 -2.486 20.766 -12.605
112 HG2 PRO 16 HG2 PRO 16 -4.404 20.098 -10.418
113 HG3 PRO 16 HG3 PRO 16 -3.345 19.025 -11.351
114 HD2 PRO 16 HD2 PRO 16 -2.828 19.887 -8.826
115 HD3 PRO 16 HD3 PRO 16 -1.572 19.392 -9.979
116 H PHL 17 H PHL 17 -3.526 22.439 -8.683
117 HA PHL 17 HA PHL 17 -5.265 24.686 -9.467
118 HC1 PHL 17 HC1 PHL 17 -4.964 25.700 -7.386
119 HC2 PHL 17 HC2 PHL 17 -4.392 24.207 -6.635
120 HO PHL 17 HO PHL 17 -2.491 25.083 -7.005
121 HB2 PHL 17 HB2 PHL 17 -5.827 22.273 -7.782
122 HB3 PHL 17 HB3 PHL 17 -6.691 23.773 -7.462
123 HD1 PHL 17 HD1 PHL 17 -5.736 21.721 -10.434
124 HD2 PHL 17 HD2 PHL 17 -8.753 23.958 -8.430
125 HE1 PHL 17 HE1 PHL 17 -7.326 21.183 -12.233
126 HE2 PHL 17 HE2 PHL 17 -10.347 23.423 -10.226
127 HZ PHL 17 HZ PHL 17 -9.635 22.033 -12.130
Start of MODEL 6
1 H1 ACE 1 H1 ACE 1 2.385 -0.936 -1.732
2 H2 ACE 1 H2 ACE 1 1.364 -0.243 -0.472
3 H3 ACE 1 H3 ACE 1 2.964 0.432 -0.782
4 H PHE 2 H PHE 2 0.481 -0.557 -3.110
5 HA PHE 2 HA PHE 2 0.804 1.741 -4.707
6 HB2 PHE 2 HB2 PHE 2 -0.152 -0.538 -5.379
7 HB3 PHE 2 HB3 PHE 2 -1.669 0.019 -4.680
8 HD1 PHE 2 HD2 PHE 2 0.845 0.731 -7.294
9 HD2 PHE 2 HD1 PHE 2 -3.098 1.456 -5.865
10 HE1 PHE 2 HE2 PHE 2 0.289 1.855 -9.411
11 HE2 PHE 2 HE1 PHE 2 -3.661 2.580 -7.980
12 HZ PHE 2 HZ PHE 2 -1.967 2.782 -9.756
13 H AIB 3 H AIB 3 -1.899 0.799 -2.580
14 HB11 AIB 3 HB11 AIB 3 -4.518 2.398 -0.802
15 HB12 AIB 3 HB12 AIB 3 -3.058 1.600 -0.217
16 HB13 AIB 3 HB13 AIB 3 -3.962 0.907 -1.564
17 HB21 AIB 3 HB21 AIB 3 -4.596 3.687 -2.632
18 HB22 AIB 3 HB22 AIB 3 -4.032 2.523 -3.831
19 HB23 AIB 3 HB23 AIB 3 -3.192 4.061 -3.632
20 H AIB 4 H AIB 4 -0.867 2.379 -0.472
21 HB11 AIB 4 HB11 AIB 4 0.315 2.593 1.418
22 HB12 AIB 4 HB12 AIB 4 1.025 4.122 1.934
23 HB13 AIB 4 HB13 AIB 4 1.619 3.321 0.479
24 HB21 AIB 4 HB21 AIB 4 -1.888 4.405 1.656
25 HB22 AIB 4 HB22 AIB 4 -1.756 5.799 0.583
26 HB23 AIB 4 HB23 AIB 4 -0.608 5.593 1.906
27 H AIB 5 H AIB 5 0.758 3.754 -2.005
28 HB11 AIB 5 HB11 AIB 5 1.498 3.670 -3.909
29 HB12 AIB 5 HB12 AIB 5 2.971 4.598 -4.195
30 HB13 AIB 5 HB13 AIB 5 1.448 5.115 -4.920
31 HB21 AIB 5 HB21 AIB 5 3.538 6.418 -3.009
32 HB22 AIB 5 HB22 AIB 5 3.428 5.199 -1.739
33 HB23 AIB 5 HB23 AIB 5 2.706 6.790 -1.499
34 H DIV 6 H DIV 6 -0.922 5.626 -2.937
35 HB11 DIV 6 HB11 DIV 6 -0.461 8.396 -5.229
36 HB12 DIV 6 HB12 DIV 6 -2.201 8.503 -5.357
37 HG11 DIV 6 HG11 DIV 6 -1.616 5.763 -5.327
38 HG12 DIV 6 HG12 DIV 6 -0.429 6.513 -6.395
39 HG13 DIV 6 HG13 DIV 6 -2.152 6.741 -6.693
40 HB21 DIV 6 HB21 DIV 6 -3.636 7.719 -3.802
41 HB22 DIV 6 HB22 DIV 6 -3.123 7.192 -2.199
42 HB23 DIV 6 HB23 DIV 6 -3.055 6.072 -3.560
43 H GLY 7 H GLY 7 -0.597 7.709 -1.202
44 HA2 GLY 7 HA2 GLY 7 -1.303 10.265 -0.411
45 HA3 GLY 7 HA3 GLY 7 0.078 9.380 0.220
46 H LEU 8 H LEU 8 1.473 9.241 -2.312
47 HA LEU 8 HA LEU 8 2.793 11.779 -2.185
48 HB2 LEU 8 HB2 LEU 8 3.182 9.522 -4.144
49 HB3 LEU 8 HB3 LEU 8 4.287 10.867 -3.868
50 HG LEU 8 HG LEU 8 3.751 8.477 -2.144
51 HD11 LEU 8 HD11 LEU 8 6.266 8.534 -2.075
52 HD12 LEU 8 HD12 LEU 8 6.193 9.809 -3.291
53 HD13 LEU 8 HD13 LEU 8 5.555 8.205 -3.655
54 HD21 LEU 8 HD21 LEU 8 3.537 10.117 -0.509
55 HD22 LEU 8 HD22 LEU 8 4.705 11.185 -1.287
56 HD23 LEU 8 HD23 LEU 8 5.256 9.725 -0.465
57 H AIB 9 H AIB 9 0.353 10.354 -4.185
58 HB11 AIB 9 HB11 AIB 9 -1.680 10.396 -5.757
59 HB12 AIB 9 HB12 AIB 9 -0.226 9.887 -6.615
60 HB13 AIB 9 HB13 AIB 9 -1.270 11.128 -7.309
61 HB21 AIB 9 HB21 AIB 9 1.851 11.891 -6.623
62 HB22 AIB 9 HB22 AIB 9 1.100 13.464 -6.357
63 HB23 AIB 9 HB23 AIB 9 0.509 12.410 -7.642
64 H AIB 10 H AIB 10 -0.835 12.148 -3.282
65 HB11 AIB 10 HB11 AIB 10 -1.707 12.603 -1.480
66 HB12 AIB 10 HB12 AIB 10 -3.235 13.477 -1.380
67 HB13 AIB 10 HB13 AIB 10 -1.711 14.339 -1.169
68 HB21 AIB 10 HB21 AIB 10 -4.227 14.326 -3.259
69 HB22 AIB 10 HB22 AIB 10 -3.885 12.652 -3.695
70 HB23 AIB 10 HB23 AIB 10 -3.525 13.950 -4.833
71 HA HYP 11 HA HYP 11 -0.136 17.496 -2.587
72 HB2 HYP 11 HB2 HYP 11 2.341 16.304 -3.715
73 HB3 HYP 11 HB3 HYP 11 2.132 17.333 -2.293
74 HG HYP 11 HG HYP 11 2.380 14.538 -2.324
75 HD22 HYP 11 HD22 HYP 11 0.748 13.646 -3.143
76 HD23 HYP 11 HD23 HYP 11 0.126 14.076 -1.537
77 HD1 HYP 11 HD1 HYP 11 1.590 16.466 -0.398
78 H GLN 12 H GLN 12 -0.184 15.402 -5.332
79 HA GLN 12 HA GLN 12 0.540 17.503 -7.203
80 HB2 GLN 12 HB2 GLN 12 -0.121 14.586 -7.468
81 HB3 GLN 12 HB3 GLN 12 -0.089 15.629 -8.884
82 HG2 GLN 12 HG2 GLN 12 2.192 15.096 -6.995
83 HG3 GLN 12 HG3 GLN 12 2.021 14.494 -8.643
84 HE21 GLN 12 HE21 GLN 12 3.000 17.090 -6.652
85 HE22 GLN 12 HE22 GLN 12 3.523 18.156 -7.906
86 H DIV 13 H DIV 13 -2.264 16.280 -5.714
87 HB11 DIV 13 HB11 DIV 13 -4.192 17.226 -8.880
88 HB12 DIV 13 HB12 DIV 13 -5.418 16.311 -8.034
89 HG11 DIV 13 HG11 DIV 13 -2.689 15.458 -8.885
90 HG12 DIV 13 HG12 DIV 13 -4.245 14.673 -9.153
91 HG13 DIV 13 HG13 DIV 13 -3.502 14.636 -7.554
92 HB21 DIV 13 HB21 DIV 13 -5.673 16.167 -6.031
93 HB22 DIV 13 HB22 DIV 13 -4.992 17.371 -4.937
94 HB23 DIV 13 HB23 DIV 13 -4.217 15.796 -5.108
95 HA HYP 14 HA HYP 14 -4.519 21.166 -6.027
96 HB2 HYP 14 HB2 HYP 14 -2.766 21.957 -4.096
97 HB3 HYP 14 HB3 HYP 14 -4.315 21.182 -3.744
98 HG HYP 14 HG HYP 14 -1.596 20.100 -3.569
99 HD22 HYP 14 HD22 HYP 14 -1.854 18.305 -4.957
100 HD23 HYP 14 HD23 HYP 14 -3.415 17.971 -4.180
101 HD1 HYP 14 HD1 HYP 14 -2.714 19.767 -1.740
102 H AIB 15 H AIB 15 -1.674 19.675 -6.994
103 HB11 AIB 15 HB11 AIB 15 1.337 20.100 -8.328
104 HB12 AIB 15 HB12 AIB 15 0.130 19.987 -9.610
105 HB13 AIB 15 HB13 AIB 15 -0.075 19.063 -8.122
106 HB21 AIB 15 HB21 AIB 15 -0.117 22.522 -6.312
107 HB22 AIB 15 HB22 AIB 15 1.015 22.667 -7.657
108 HB23 AIB 15 HB23 AIB 15 1.145 21.310 -6.537
109 HA PRO 16 HA PRO 16 -1.828 22.710 -11.565
110 HB2 PRO 16 HB2 PRO 16 -4.135 21.444 -12.220
111 HB3 PRO 16 HB3 PRO 16 -2.539 20.768 -12.569
112 HG2 PRO 16 HG2 PRO 16 -4.437 20.106 -10.363
113 HG3 PRO 16 HG3 PRO 16 -3.391 19.029 -11.307
114 HD2 PRO 16 HD2 PRO 16 -2.845 19.890 -8.786
115 HD3 PRO 16 HD3 PRO 16 -1.603 19.390 -9.952
116 H PHL 17 H PHL 17 -3.529 22.446 -8.634
117 HA PHL 17 HA PHL 17 -5.137 24.805 -9.337
118 HC1 PHL 17 HC1 PHL 17 -3.371 24.768 -7.396
119 HC2 PHL 17 HC2 PHL 17 -4.922 25.583 -7.171
120 HO PHL 17 HO PHL 17 -4.473 24.225 -5.396
121 HB2 PHL 17 HB2 PHL 17 -6.033 22.324 -7.878
122 HB3 PHL 17 HB3 PHL 17 -6.887 23.856 -7.725
123 HD1 PHL 17 HD1 PHL 17 -7.878 24.905 -9.773
124 HD2 PHL 17 HD2 PHL 17 -6.353 20.931 -9.739
125 HE1 PHL 17 HE1 PHL 17 -9.146 24.404 -11.822
126 HE2 PHL 17 HE2 PHL 17 -7.618 20.424 -11.787
127 HZ PHL 17 HZ PHL 17 -9.016 22.162 -12.832
Start of MODEL 7
1 H1 ACE 1 H1 ACE 1 1.298 -0.717 -0.929
2 H2 ACE 1 H2 ACE 1 2.392 0.547 -0.367
3 H3 ACE 1 H3 ACE 1 2.887 -0.534 -1.670
4 H PHE 2 H PHE 2 0.467 -0.537 -3.130
5 HA PHE 2 HA PHE 2 0.814 1.765 -4.716
6 HB2 PHE 2 HB2 PHE 2 -0.129 -0.510 -5.411
7 HB3 PHE 2 HB3 PHE 2 -1.657 0.039 -4.730
8 HD1 PHE 2 HD2 PHE 2 0.973 1.548 -6.912
9 HD2 PHE 2 HD1 PHE 2 -3.156 0.700 -6.323
10 HE1 PHE 2 HE2 PHE 2 0.442 2.680 -9.031
11 HE2 PHE 2 HE1 PHE 2 -3.694 1.830 -8.442
12 HZ PHE 2 HZ PHE 2 -1.894 2.823 -9.798
13 H AIB 3 H AIB 3 -1.921 0.817 -2.633
14 HB11 AIB 3 HB11 AIB 3 -4.276 2.506 -0.552
15 HB12 AIB 3 HB12 AIB 3 -3.051 1.238 -0.544
16 HB13 AIB 3 HB13 AIB 3 -4.356 1.196 -1.730
17 HB21 AIB 3 HB21 AIB 3 -4.045 2.540 -3.905
18 HB22 AIB 3 HB22 AIB 3 -3.196 4.073 -3.704
19 HB23 AIB 3 HB23 AIB 3 -4.613 3.713 -2.716
20 H AIB 4 H AIB 4 -0.922 2.391 -0.505
21 HB11 AIB 4 HB11 AIB 4 1.564 3.366 0.499
22 HB12 AIB 4 HB12 AIB 4 0.245 2.583 1.370
23 HB13 AIB 4 HB13 AIB 4 0.903 4.112 1.954
24 HB21 AIB 4 HB21 AIB 4 -1.976 4.411 1.613
25 HB22 AIB 4 HB22 AIB 4 -1.830 5.807 0.545
26 HB23 AIB 4 HB23 AIB 4 -0.701 5.600 1.885
27 H AIB 5 H AIB 5 0.726 3.771 -2.009
28 HB11 AIB 5 HB11 AIB 5 1.495 3.693 -3.903
29 HB12 AIB 5 HB12 AIB 5 2.971 4.622 -4.164
30 HB13 AIB 5 HB13 AIB 5 1.459 5.140 -4.910
31 HB21 AIB 5 HB21 AIB 5 3.387 5.218 -1.693
32 HB22 AIB 5 HB22 AIB 5 2.665 6.812 -1.472
33 HB23 AIB 5 HB23 AIB 5 3.523 6.432 -2.965
34 H DIV 6 H DIV 6 -0.941 5.645 -2.962
35 HB11 DIV 6 HB11 DIV 6 -0.447 8.422 -5.239
36 HB12 DIV 6 HB12 DIV 6 -2.185 8.528 -5.393
37 HG11 DIV 6 HG11 DIV 6 -0.584 5.991 -5.641
38 HG12 DIV 6 HG12 DIV 6 -1.201 6.952 -6.985
39 HG13 DIV 6 HG13 DIV 6 -2.323 6.158 -5.880
40 HB21 DIV 6 HB21 DIV 6 -3.646 7.830 -3.733
41 HB22 DIV 6 HB22 DIV 6 -3.104 7.059 -2.243
42 HB23 DIV 6 HB23 DIV 6 -3.110 6.150 -3.754
43 H GLY 7 H GLY 7 -0.644 7.723 -1.217
44 HA2 GLY 7 HA2 GLY 7 -1.362 10.277 -0.429
45 HA3 GLY 7 HA3 GLY 7 0.009 9.391 0.221
46 H LEU 8 H LEU 8 1.443 9.259 -2.290
47 HA LEU 8 HA LEU 8 2.761 11.796 -2.136
48 HB2 LEU 8 HB2 LEU 8 3.180 9.543 -4.094
49 HB3 LEU 8 HB3 LEU 8 4.280 10.888 -3.799
50 HG LEU 8 HG LEU 8 3.719 8.495 -2.086
51 HD11 LEU 8 HD11 LEU 8 6.173 9.824 -3.207
52 HD12 LEU 8 HD12 LEU 8 5.545 8.215 -3.562
53 HD13 LEU 8 HD13 LEU 8 6.237 8.561 -1.978
54 HD21 LEU 8 HD21 LEU 8 4.582 11.217 -1.214
55 HD22 LEU 8 HD22 LEU 8 5.254 9.792 -0.421
56 HD23 LEU 8 HD23 LEU 8 3.511 10.066 -0.415
57 H AIB 9 H AIB 9 0.352 10.377 -4.177
58 HB11 AIB 9 HB11 AIB 9 -1.651 10.417 -5.777
59 HB12 AIB 9 HB12 AIB 9 -0.187 9.919 -6.625
60 HB13 AIB 9 HB13 AIB 9 -1.229 11.161 -7.320
61 HB21 AIB 9 HB21 AIB 9 0.562 12.441 -7.627
62 HB22 AIB 9 HB22 AIB 9 1.888 11.919 -6.587
63 HB23 AIB 9 HB23 AIB 9 1.133 13.491 -6.330
64 H AIB 10 H AIB 10 -0.850 12.168 -3.288
65 HB11 AIB 10 HB11 AIB 10 -1.749 12.618 -1.498
66 HB12 AIB 10 HB12 AIB 10 -3.279 13.492 -1.420
67 HB13 AIB 10 HB13 AIB 10 -1.759 14.354 -1.183
68 HB21 AIB 10 HB21 AIB 10 -3.515 13.974 -4.876
69 HB22 AIB 10 HB22 AIB 10 -4.241 14.347 -3.312
70 HB23 AIB 10 HB23 AIB 10 -3.893 12.673 -3.747
71 HA HYP 11 HA HYP 11 -0.161 17.514 -2.568
72 HB2 HYP 11 HB2 HYP 11 2.333 16.325 -3.661
73 HB3 HYP 11 HB3 HYP 11 2.102 17.350 -2.239
74 HG HYP 11 HG HYP 11 2.316 14.537 -2.303
75 HD22 HYP 11 HD22 HYP 11 0.731 13.666 -3.121
76 HD23 HYP 11 HD23 HYP 11 0.084 14.091 -1.524
77 HD1 HYP 11 HD1 HYP 11 1.197 16.011 -0.143
78 H GLN 12 H GLN 12 -0.167 15.427 -5.319
79 HA GLN 12 HA GLN 12 0.586 17.533 -7.173
80 HB2 GLN 12 HB2 GLN 12 -0.070 14.617 -7.456
81 HB3 GLN 12 HB3 GLN 12 -0.016 15.663 -8.869
82 HG2 GLN 12 HG2 GLN 12 2.281 15.538 -6.956
83 HG3 GLN 12 HG3 GLN 12 2.084 14.334 -8.229
84 HE21 GLN 12 HE21 GLN 12 2.750 17.664 -7.505
85 HE22 GLN 12 HE22 GLN 12 3.325 18.102 -9.074
86 H DIV 13 H DIV 13 -2.240 16.307 -5.731
87 HB11 DIV 13 HB11 DIV 13 -4.119 17.261 -8.924
88 HB12 DIV 13 HB12 DIV 13 -5.358 16.344 -8.100
89 HG11 DIV 13 HG11 DIV 13 -2.616 15.493 -8.911
90 HG12 DIV 13 HG12 DIV 13 -4.168 14.708 -9.204
91 HG13 DIV 13 HG13 DIV 13 -3.450 14.667 -7.594
92 HB21 DIV 13 HB21 DIV 13 -5.644 16.195 -6.102
93 HB22 DIV 13 HB22 DIV 13 -4.980 17.396 -4.994
94 HB23 DIV 13 HB23 DIV 13 -4.202 15.821 -5.157
95 HA HYP 14 HA HYP 14 -4.489 21.194 -6.067
96 HB2 HYP 14 HB2 HYP 14 -2.767 21.980 -4.107
97 HB3 HYP 14 HB3 HYP 14 -4.321 21.204 -3.780
98 HG HYP 14 HG HYP 14 -1.581 20.022 -3.828
99 HD22 HYP 14 HD22 HYP 14 -1.842 18.329 -4.963
100 HD23 HYP 14 HD23 HYP 14 -3.415 17.993 -4.211
101 HD1 HYP 14 HD1 HYP 14 -2.359 19.013 -1.975
102 H AIB 15 H AIB 15 -1.630 19.704 -6.994
103 HB11 AIB 15 HB11 AIB 15 1.401 20.132 -8.280
104 HB12 AIB 15 HB12 AIB 15 0.214 20.023 -9.580
105 HB13 AIB 15 HB13 AIB 15 -0.014 19.095 -8.098
106 HB21 AIB 15 HB21 AIB 15 -0.085 22.557 -6.287
107 HB22 AIB 15 HB22 AIB 15 1.076 22.691 -7.608
108 HB23 AIB 15 HB23 AIB 15 1.175 21.338 -6.481
109 HA PRO 16 HA PRO 16 -1.713 22.751 -11.559
110 HB2 PRO 16 HB2 PRO 16 -4.011 21.486 -12.252
111 HB3 PRO 16 HB3 PRO 16 -2.410 20.811 -12.579
112 HG2 PRO 16 HG2 PRO 16 -4.341 20.144 -10.402
113 HG3 PRO 16 HG3 PRO 16 -3.282 19.069 -11.333
114 HD2 PRO 16 HD2 PRO 16 -2.773 19.924 -8.803
115 HD3 PRO 16 HD3 PRO 16 -1.514 19.426 -9.951
116 H PHL 17 H PHL 17 -3.458 22.481 -8.655
117 HA PHL 17 HA PHL 17 -5.239 24.687 -9.458
118 HC1 PHL 17 HC1 PHL 17 -4.484 24.477 -6.606
119 HC2 PHL 17 HC2 PHL 17 -3.208 24.988 -7.715
120 HO PHL 17 HO PHL 17 -5.784 26.188 -7.683
121 HB2 PHL 17 HB2 PHL 17 -5.671 22.449 -7.482
122 HB3 PHL 17 HB3 PHL 17 -6.675 23.895 -7.508
123 HD1 PHL 17 HD1 PHL 17 -6.342 20.621 -8.696
124 HD2 PHL 17 HD2 PHL 17 -7.682 24.488 -9.869
125 HE1 PHL 17 HE1 PHL 17 -7.754 19.601 -10.434
126 HE2 PHL 17 HE2 PHL 17 -9.097 23.474 -11.607
127 HZ PHL 17 HZ PHL 17 -9.135 21.028 -11.891
Start of MODEL 8
1 H1 ACE 1 H1 ACE 1 3.100 -0.114 -1.280
2 H2 ACE 1 H2 ACE 1 1.631 -1.085 -1.383
3 H3 ACE 1 H3 ACE 1 1.747 0.215 -0.197
4 H PHE 2 H PHE 2 0.487 -0.604 -3.139
5 HA PHE 2 HA PHE 2 0.845 1.711 -4.690
6 HB2 PHE 2 HB2 PHE 2 -0.123 -0.551 -5.402
7 HB3 PHE 2 HB3 PHE 2 -1.648 0.017 -4.730
8 HD1 PHE 2 HD2 PHE 2 -2.818 1.919 -5.747
9 HD2 PHE 2 HD1 PHE 2 0.716 0.287 -7.468
10 HE1 PHE 2 HE2 PHE 2 -3.322 3.070 -7.862
11 HE2 PHE 2 HE1 PHE 2 0.218 1.436 -9.587
12 HZ PHE 2 HZ PHE 2 -1.803 2.828 -9.786
13 H AIB 3 H AIB 3 -1.898 0.778 -2.612
14 HB11 AIB 3 HB11 AIB 3 -3.023 1.163 -0.556
15 HB12 AIB 3 HB12 AIB 3 -4.366 1.215 -1.698
16 HB13 AIB 3 HB13 AIB 3 -4.192 2.481 -0.482
17 HB21 AIB 3 HB21 AIB 3 -3.147 4.026 -3.692
18 HB22 AIB 3 HB22 AIB 3 -4.558 3.713 -2.681
19 HB23 AIB 3 HB23 AIB 3 -4.034 2.511 -3.860
20 H AIB 4 H AIB 4 -0.874 2.346 -0.493
21 HB11 AIB 4 HB11 AIB 4 1.596 3.252 0.473
22 HB12 AIB 4 HB12 AIB 4 0.286 2.557 1.428
23 HB13 AIB 4 HB13 AIB 4 1.026 4.080 1.922
24 HB21 AIB 4 HB21 AIB 4 -1.904 4.360 1.641
25 HB22 AIB 4 HB22 AIB 4 -1.764 5.760 0.577
26 HB23 AIB 4 HB23 AIB 4 -0.625 5.545 1.906
27 H AIB 5 H AIB 5 0.754 3.730 -2.012
28 HB11 AIB 5 HB11 AIB 5 2.237 3.659 -3.727
29 HB12 AIB 5 HB12 AIB 5 2.722 5.111 -4.603
30 HB13 AIB 5 HB13 AIB 5 1.045 4.568 -4.655
31 HB21 AIB 5 HB21 AIB 5 3.562 6.370 -2.977
32 HB22 AIB 5 HB22 AIB 5 3.410 5.188 -1.678
33 HB23 AIB 5 HB23 AIB 5 2.701 6.793 -1.497
34 H DIV 6 H DIV 6 -0.911 5.600 -2.947
35 HB11 DIV 6 HB11 DIV 6 -0.436 8.376 -5.228
36 HB12 DIV 6 HB12 DIV 6 -2.174 8.480 -5.372
37 HG11 DIV 6 HG11 DIV 6 -0.360 6.209 -5.999
38 HG12 DIV 6 HG12 DIV 6 -1.699 6.879 -6.933
39 HG13 DIV 6 HG13 DIV 6 -2.024 5.870 -5.523
40 HB21 DIV 6 HB21 DIV 6 -3.086 7.050 -2.217
41 HB22 DIV 6 HB22 DIV 6 -3.073 6.082 -3.691
42 HB23 DIV 6 HB23 DIV 6 -3.625 7.756 -3.740
43 H GLY 7 H GLY 7 -0.608 7.678 -1.205
44 HA2 GLY 7 HA2 GLY 7 -1.327 10.231 -0.414
45 HA3 GLY 7 HA3 GLY 7 0.050 9.348 0.229
46 H LEU 8 H LEU 8 1.469 9.219 -2.291
47 HA LEU 8 HA LEU 8 2.782 11.759 -2.146
48 HB2 LEU 8 HB2 LEU 8 3.195 9.507 -4.106
49 HB3 LEU 8 HB3 LEU 8 4.294 10.854 -3.817
50 HG LEU 8 HG LEU 8 3.748 8.459 -2.103
51 HD11 LEU 8 HD11 LEU 8 6.192 9.795 -3.234
52 HD12 LEU 8 HD12 LEU 8 5.566 8.186 -3.589
53 HD13 LEU 8 HD13 LEU 8 6.265 8.530 -2.007
54 HD21 LEU 8 HD21 LEU 8 3.545 10.026 -0.428
55 HD22 LEU 8 HD22 LEU 8 4.605 11.183 -1.233
56 HD23 LEU 8 HD23 LEU 8 5.288 9.760 -0.446
57 H AIB 9 H AIB 9 0.364 10.334 -4.171
58 HB11 AIB 9 HB11 AIB 9 -1.215 11.106 -7.318
59 HB12 AIB 9 HB12 AIB 9 -1.665 10.389 -5.770
60 HB13 AIB 9 HB13 AIB 9 -0.195 9.863 -6.592
61 HB21 AIB 9 HB21 AIB 9 0.549 12.398 -7.623
62 HB22 AIB 9 HB22 AIB 9 1.882 11.879 -6.591
63 HB23 AIB 9 HB23 AIB 9 1.125 13.450 -6.330
64 H AIB 10 H AIB 10 -0.836 12.123 -3.276
65 HB11 AIB 10 HB11 AIB 10 -3.257 13.442 -1.393
66 HB12 AIB 10 HB12 AIB 10 -1.737 14.307 -1.166
67 HB13 AIB 10 HB13 AIB 10 -1.726 12.571 -1.481
68 HB21 AIB 10 HB21 AIB 10 -3.883 12.621 -3.716
69 HB22 AIB 10 HB22 AIB 10 -3.515 13.923 -4.848
70 HB23 AIB 10 HB23 AIB 10 -4.232 14.294 -3.280
71 HA HYP 11 HA HYP 11 -0.155 17.471 -2.561
72 HB2 HYP 11 HB2 HYP 11 2.335 16.287 -3.669
73 HB3 HYP 11 HB3 HYP 11 2.110 17.311 -2.246
74 HG HYP 11 HG HYP 11 2.340 14.504 -2.302
75 HD22 HYP 11 HD22 HYP 11 0.743 13.624 -3.119
76 HD23 HYP 11 HD23 HYP 11 0.104 14.048 -1.517
77 HD1 HYP 11 HD1 HYP 11 1.192 15.949 -0.143
78 H GLN 12 H GLN 12 -0.173 15.383 -5.312
79 HA GLN 12 HA GLN 12 0.565 17.490 -7.170
80 HB2 GLN 12 HB2 GLN 12 -0.087 14.572 -7.449
81 HB3 GLN 12 HB3 GLN 12 -0.044 15.619 -8.862
82 HG2 GLN 12 HG2 GLN 12 2.259 15.438 -6.951
83 HG3 GLN 12 HG3 GLN 12 2.062 14.313 -8.294
84 HE21 GLN 12 HE21 GLN 12 3.040 17.434 -7.326
85 HE22 GLN 12 HE22 GLN 12 3.496 18.027 -8.883
86 H DIV 13 H DIV 13 -2.250 16.258 -5.711
87 HB11 DIV 13 HB11 DIV 13 -4.151 17.207 -8.893
88 HB12 DIV 13 HB12 DIV 13 -5.383 16.288 -8.061
89 HG11 DIV 13 HG11 DIV 13 -3.468 14.615 -7.566
90 HG12 DIV 13 HG12 DIV 13 -2.644 15.442 -8.888
91 HG13 DIV 13 HG13 DIV 13 -4.196 14.655 -9.172
92 HB21 DIV 13 HB21 DIV 13 -4.988 17.341 -4.957
93 HB22 DIV 13 HB22 DIV 13 -4.208 15.768 -5.125
94 HB23 DIV 13 HB23 DIV 13 -5.656 16.139 -6.061
95 HA HYP 14 HA HYP 14 -4.512 21.140 -6.034
96 HB2 HYP 14 HB2 HYP 14 -2.780 21.930 -4.085
97 HB3 HYP 14 HB3 HYP 14 -4.331 21.151 -3.749
98 HG HYP 14 HG HYP 14 -1.612 20.076 -3.546
99 HD22 HYP 14 HD22 HYP 14 -1.852 18.281 -4.946
100 HD23 HYP 14 HD23 HYP 14 -3.419 17.942 -4.184
101 HD1 HYP 14 HD1 HYP 14 -3.569 20.119 -1.979
102 H AIB 15 H AIB 15 -1.655 19.656 -6.978
103 HB11 AIB 15 HB11 AIB 15 -0.044 19.050 -8.091
104 HB12 AIB 15 HB12 AIB 15 1.367 20.091 -8.282
105 HB13 AIB 15 HB13 AIB 15 0.173 19.978 -9.575
106 HB21 AIB 15 HB21 AIB 15 1.126 22.560 -7.617
107 HB22 AIB 15 HB22 AIB 15 1.066 21.292 -6.392
108 HB23 AIB 15 HB23 AIB 15 -0.113 22.603 -6.362
109 HA PRO 16 HA PRO 16 -1.772 22.703 -11.542
110 HB2 PRO 16 HB2 PRO 16 -4.070 21.433 -12.222
111 HB3 PRO 16 HB3 PRO 16 -2.469 20.762 -12.558
112 HG2 PRO 16 HG2 PRO 16 -4.387 20.090 -10.372
113 HG3 PRO 16 HG3 PRO 16 -3.329 19.018 -11.309
114 HD2 PRO 16 HD2 PRO 16 -2.810 19.874 -8.780
115 HD3 PRO 16 HD3 PRO 16 -1.556 19.379 -9.935
116 H PHL 17 H PHL 17 -3.501 22.427 -8.629
117 HA PHL 17 HA PHL 17 -5.108 24.784 -9.340
118 HC1 PHL 17 HC1 PHL 17 -3.360 24.747 -7.383
119 HC2 PHL 17 HC2 PHL 17 -4.915 25.557 -7.170
120 HO PHL 17 HO PHL 17 -4.979 24.286 -5.457
121 HB2 PHL 17 HB2 PHL 17 -6.004 22.233 -8.054
122 HB3 PHL 17 HB3 PHL 17 -6.798 23.743 -7.619
123 HD1 PHL 17 HD1 PHL 17 -5.993 21.513 -10.457
124 HD2 PHL 17 HD2 PHL 17 -8.402 24.717 -9.026
125 HE1 PHL 17 HE1 PHL 17 -7.413 21.335 -12.459
126 HE2 PHL 17 HE2 PHL 17 -9.826 24.544 -11.025
127 HZ PHL 17 HZ PHL 17 -9.333 22.851 -12.744
Start of MODEL 9
1 H1 ACE 1 H1 ACE 1 2.900 -0.505 -1.571
2 H2 ACE 1 H2 ACE 1 1.266 -0.867 -1.014
3 H3 ACE 1 H3 ACE 1 2.183 0.441 -0.266
4 H PHE 2 H PHE 2 0.468 -0.584 -3.156
5 HA PHE 2 HA PHE 2 0.842 1.734 -4.698
6 HB2 PHE 2 HB2 PHE 2 -0.113 -0.526 -5.430
7 HB3 PHE 2 HB3 PHE 2 -1.646 0.033 -4.769
8 HD1 PHE 2 HD1 PHE 2 1.024 1.042 -7.158
9 HD2 PHE 2 HD2 PHE 2 -3.099 1.218 -6.114
10 HE1 PHE 2 HE1 PHE 2 0.541 2.199 -9.275
11 HE2 PHE 2 HE2 PHE 2 -3.588 2.374 -8.230
12 HZ PHE 2 HZ PHE 2 -1.768 2.865 -9.814
13 H AIB 3 H AIB 3 -1.924 0.794 -2.654
14 HB11 AIB 3 HB11 AIB 3 -4.359 1.178 -1.768
15 HB12 AIB 3 HB12 AIB 3 -4.292 2.490 -0.591
16 HB13 AIB 3 HB13 AIB 3 -3.068 1.221 -0.566
17 HB21 AIB 3 HB21 AIB 3 -4.529 3.817 -2.741
18 HB22 AIB 3 HB22 AIB 3 -4.134 2.512 -3.860
19 HB23 AIB 3 HB23 AIB 3 -3.136 3.965 -3.813
20 H AIB 4 H AIB 4 -0.927 2.359 -0.520
21 HB11 AIB 4 HB11 AIB 4 0.923 4.081 1.933
22 HB12 AIB 4 HB12 AIB 4 1.541 3.290 0.484
23 HB13 AIB 4 HB13 AIB 4 0.220 2.557 1.393
24 HB21 AIB 4 HB21 AIB 4 -1.983 4.368 1.606
25 HB22 AIB 4 HB22 AIB 4 -1.834 5.769 0.546
26 HB23 AIB 4 HB23 AIB 4 -0.709 5.555 1.887
27 H AIB 5 H AIB 5 0.718 3.748 -2.017
28 HB11 AIB 5 HB11 AIB 5 2.713 5.136 -4.584
29 HB12 AIB 5 HB12 AIB 5 1.037 4.591 -4.656
30 HB13 AIB 5 HB13 AIB 5 2.220 3.682 -3.716
31 HB21 AIB 5 HB21 AIB 5 2.650 6.759 -1.421
32 HB22 AIB 5 HB22 AIB 5 3.502 6.461 -2.936
33 HB23 AIB 5 HB23 AIB 5 3.405 5.192 -1.715
34 H DIV 6 H DIV 6 -0.939 5.618 -2.968
35 HB11 DIV 6 HB11 DIV 6 -0.440 8.399 -5.239
36 HB12 DIV 6 HB12 DIV 6 -2.177 8.501 -5.402
37 HG11 DIV 6 HG11 DIV 6 -2.069 5.917 -5.592
38 HG12 DIV 6 HG12 DIV 6 -0.367 6.198 -5.962
39 HG13 DIV 6 HG13 DIV 6 -1.620 6.915 -6.975
40 HB21 DIV 6 HB21 DIV 6 -3.645 7.759 -3.810
41 HB22 DIV 6 HB22 DIV 6 -3.132 7.089 -2.261
42 HB23 DIV 6 HB23 DIV 6 -3.085 6.089 -3.714
43 H GLY 7 H GLY 7 -0.659 7.693 -1.218
44 HA2 GLY 7 HA2 GLY 7 -1.389 10.244 -0.431
45 HA3 GLY 7 HA3 GLY 7 -0.019 9.360 0.226
46 H LEU 8 H LEU 8 1.430 9.237 -2.277
47 HA LEU 8 HA LEU 8 2.739 11.779 -2.112
48 HB2 LEU 8 HB2 LEU 8 3.176 9.531 -4.071
49 HB3 LEU 8 HB3 LEU 8 4.270 10.878 -3.767
50 HG LEU 8 HG LEU 8 3.707 8.480 -2.063
51 HD11 LEU 8 HD11 LEU 8 6.165 9.821 -3.161
52 HD12 LEU 8 HD12 LEU 8 5.542 8.213 -3.532
53 HD13 LEU 8 HD13 LEU 8 6.222 8.550 -1.940
54 HD21 LEU 8 HD21 LEU 8 4.659 11.182 -1.177
55 HD22 LEU 8 HD22 LEU 8 5.159 9.713 -0.340
56 HD23 LEU 8 HD23 LEU 8 3.449 10.133 -0.438
57 H AIB 9 H AIB 9 0.346 10.355 -4.168
58 HB11 AIB 9 HB11 AIB 9 -0.179 9.898 -6.615
59 HB12 AIB 9 HB12 AIB 9 -1.215 11.138 -7.321
60 HB13 AIB 9 HB13 AIB 9 -1.652 10.396 -5.782
61 HB21 AIB 9 HB21 AIB 9 1.129 13.477 -6.311
62 HB22 AIB 9 HB22 AIB 9 0.569 12.427 -7.613
63 HB23 AIB 9 HB23 AIB 9 1.891 11.907 -6.567
64 H AIB 10 H AIB 10 -0.867 12.141 -3.283
65 HB11 AIB 10 HB11 AIB 10 -1.794 14.320 -1.180
66 HB12 AIB 10 HB12 AIB 10 -1.778 12.585 -1.498
67 HB13 AIB 10 HB13 AIB 10 -3.311 13.454 -1.426
68 HB21 AIB 10 HB21 AIB 10 -4.264 14.309 -3.323
69 HB22 AIB 10 HB22 AIB 10 -3.909 12.638 -3.758
70 HB23 AIB 10 HB23 AIB 10 -3.529 13.942 -4.883
71 HA HYP 11 HA HYP 11 -0.199 17.488 -2.550
72 HB2 HYP 11 HB2 HYP 11 2.305 16.309 -3.631
73 HB3 HYP 11 HB3 HYP 11 2.063 17.330 -2.208
74 HG HYP 11 HG HYP 11 2.286 14.518 -2.276
75 HD22 HYP 11 HD22 HYP 11 0.709 13.643 -3.104
76 HD23 HYP 11 HD23 HYP 11 0.051 14.064 -1.510
77 HD1 HYP 11 HD1 HYP 11 2.524 16.321 -0.509
78 H GLN 12 H GLN 12 -0.182 15.406 -5.305
79 HA GLN 12 HA GLN 12 0.575 17.518 -7.150
80 HB2 GLN 12 HB2 GLN 12 -0.071 14.600 -7.443
81 HB3 GLN 12 HB3 GLN 12 -0.012 15.649 -8.853
82 HG2 GLN 12 HG2 GLN 12 2.262 15.409 -6.907
83 HG3 GLN 12 HG3 GLN 12 2.088 14.366 -8.317
84 HE21 GLN 12 HE21 GLN 12 2.851 17.532 -7.171
85 HE22 GLN 12 HE22 GLN 12 3.414 18.172 -8.673
86 H DIV 13 H DIV 13 -2.256 16.280 -5.727
87 HB11 DIV 13 HB11 DIV 13 -4.120 17.233 -8.929
88 HB12 DIV 13 HB12 DIV 13 -5.361 16.311 -8.113
89 HG11 DIV 13 HG11 DIV 13 -3.450 14.639 -7.599
90 HG12 DIV 13 HG12 DIV 13 -2.611 15.470 -8.909
91 HG13 DIV 13 HG13 DIV 13 -4.159 14.682 -9.214
92 HB21 DIV 13 HB21 DIV 13 -5.003 17.359 -5.003
93 HB22 DIV 13 HB22 DIV 13 -4.220 15.787 -5.165
94 HB23 DIV 13 HB23 DIV 13 -5.658 16.158 -6.117
95 HA HYP 14 HA HYP 14 -4.519 21.161 -6.067
96 HB2 HYP 14 HB2 HYP 14 -2.810 21.949 -4.096
97 HB3 HYP 14 HB3 HYP 14 -4.363 21.167 -3.779
98 HG HYP 14 HG HYP 14 -1.620 20.032 -3.726
99 HD22 HYP 14 HD22 HYP 14 -1.869 18.302 -4.953
100 HD23 HYP 14 HD23 HYP 14 -3.445 17.960 -4.210
101 HD1 HYP 14 HD1 HYP 14 -3.271 20.344 -1.898
102 H AIB 15 H AIB 15 -1.648 19.682 -6.978
103 HB11 AIB 15 HB11 AIB 15 1.387 20.121 -8.249
104 HB12 AIB 15 HB12 AIB 15 0.208 20.011 -9.555
105 HB13 AIB 15 HB13 AIB 15 -0.025 19.079 -8.076
106 HB21 AIB 15 HB21 AIB 15 1.058 21.319 -6.355
107 HB22 AIB 15 HB22 AIB 15 -0.117 22.634 -6.345
108 HB23 AIB 15 HB23 AIB 15 1.141 22.584 -7.581
109 HA PRO 16 HA PRO 16 -1.717 22.736 -11.540
110 HB2 PRO 16 HB2 PRO 16 -4.008 21.468 -12.245
111 HB3 PRO 16 HB3 PRO 16 -2.404 20.797 -12.566
112 HG2 PRO 16 HG2 PRO 16 -4.343 20.121 -10.400
113 HG3 PRO 16 HG3 PRO 16 -3.277 19.051 -11.328
114 HD2 PRO 16 HD2 PRO 16 -2.783 19.901 -8.794
115 HD3 PRO 16 HD3 PRO 16 -1.516 19.410 -9.937
116 H PHL 17 H PHL 17 -3.481 22.453 -8.647
117 HA PHL 17 HA PHL 17 -5.224 24.692 -9.442
118 HC1 PHL 17 HC1 PHL 17 -4.684 24.441 -6.574
119 HC2 PHL 17 HC2 PHL 17 -3.248 24.785 -7.543
120 HO PHL 17 HO PHL 17 -5.572 26.271 -8.053
121 HB2 PHL 17 HB2 PHL 17 -5.761 22.358 -7.615
122 HB3 PHL 17 HB3 PHL 17 -6.712 23.837 -7.527
123 HD1 PHL 17 HD1 PHL 17 -7.656 24.660 -9.855
124 HD2 PHL 17 HD2 PHL 17 -6.515 20.659 -8.958
125 HE1 PHL 17 HE1 PHL 17 -9.095 23.845 -11.676
126 HE2 PHL 17 HE2 PHL 17 -7.951 19.837 -10.778
127 HZ PHL 17 HZ PHL 17 -9.243 21.431 -12.141
Start of MODEL 10
1 H1 ACE 1 H1 ACE 1 3.348 -0.027 -1.140
2 H2 ACE 1 H2 ACE 1 1.887 -1.014 -1.204
3 H3 ACE 1 H3 ACE 1 1.993 0.332 -0.069
4 H PHE 2 H PHE 2 0.772 -0.618 -3.001
5 HA PHE 2 HA PHE 2 1.092 1.681 -4.597
6 HB2 PHE 2 HB2 PHE 2 0.252 -0.632 -5.301
7 HB3 PHE 2 HB3 PHE 2 -1.316 -0.131 -4.677
8 HD1 PHE 2 HD2 PHE 2 1.328 1.472 -6.773
9 HD2 PHE 2 HD1 PHE 2 -2.779 0.441 -6.337
10 HE1 PHE 2 HE2 PHE 2 0.829 2.566 -8.919
11 HE2 PHE 2 HE1 PHE 2 -3.284 1.533 -8.483
12 HZ PHE 2 HZ PHE 2 -1.479 2.598 -9.777
13 H AIB 3 H AIB 3 -1.678 0.656 -2.598
14 HB11 AIB 3 HB11 AIB 3 -4.403 2.196 -0.908
15 HB12 AIB 3 HB12 AIB 3 -2.955 1.372 -0.329
16 HB13 AIB 3 HB13 AIB 3 -3.846 0.726 -1.707
17 HB21 AIB 3 HB21 AIB 3 -3.917 2.271 -3.887
18 HB22 AIB 3 HB22 AIB 3 -2.988 3.768 -3.823
19 HB23 AIB 3 HB23 AIB 3 -4.403 3.564 -2.791
20 H AIB 4 H AIB 4 -0.807 2.283 -0.453
21 HB11 AIB 4 HB11 AIB 4 1.548 3.214 0.580
22 HB12 AIB 4 HB12 AIB 4 0.231 2.608 1.584
23 HB13 AIB 4 HB13 AIB 4 0.992 4.154 1.965
24 HB21 AIB 4 HB21 AIB 4 -1.868 5.675 0.531
25 HB22 AIB 4 HB22 AIB 4 -0.778 5.519 1.910
26 HB23 AIB 4 HB23 AIB 4 -2.000 4.284 1.608
27 H AIB 5 H AIB 5 0.842 3.706 -1.916
28 HB11 AIB 5 HB11 AIB 5 1.623 5.074 -4.804
29 HB12 AIB 5 HB12 AIB 5 1.677 3.638 -3.781
30 HB13 AIB 5 HB13 AIB 5 3.127 4.617 -4.004
31 HB21 AIB 5 HB21 AIB 5 3.590 6.426 -2.808
32 HB22 AIB 5 HB22 AIB 5 3.422 5.256 -1.499
33 HB23 AIB 5 HB23 AIB 5 2.658 6.840 -1.369
34 H DIV 6 H DIV 6 -0.856 5.513 -2.942
35 HB11 DIV 6 HB11 DIV 6 -0.382 8.284 -5.230
36 HB12 DIV 6 HB12 DIV 6 -2.116 8.329 -5.442
37 HG11 DIV 6 HG11 DIV 6 -1.563 6.723 -6.958
38 HG12 DIV 6 HG12 DIV 6 -1.844 5.711 -5.541
39 HG13 DIV 6 HG13 DIV 6 -0.197 6.138 -6.007
40 HB21 DIV 6 HB21 DIV 6 -3.128 6.962 -2.317
41 HB22 DIV 6 HB22 DIV 6 -2.982 5.893 -3.712
42 HB23 DIV 6 HB23 DIV 6 -3.600 7.532 -3.919
43 H GLY 7 H GLY 7 -0.690 7.615 -1.209
44 HA2 GLY 7 HA2 GLY 7 -1.522 10.150 -0.472
45 HA3 GLY 7 HA3 GLY 7 -0.144 9.317 0.233
46 H LEU 8 H LEU 8 1.378 9.213 -2.227
47 HA LEU 8 HA LEU 8 2.601 11.797 -2.055
48 HB2 LEU 8 HB2 LEU 8 3.164 9.542 -3.975
49 HB3 LEU 8 HB3 LEU 8 4.206 10.928 -3.657
50 HG LEU 8 HG LEU 8 3.671 8.532 -1.941
51 HD11 LEU 8 HD11 LEU 8 6.179 8.686 -1.750
52 HD12 LEU 8 HD12 LEU 8 6.114 9.937 -2.990
53 HD13 LEU 8 HD13 LEU 8 5.553 8.306 -3.354
54 HD21 LEU 8 HD21 LEU 8 3.322 10.175 -0.333
55 HD22 LEU 8 HD22 LEU 8 4.489 11.277 -1.062
56 HD23 LEU 8 HD23 LEU 8 5.049 9.842 -0.202
57 H AIB 9 H AIB 9 0.312 10.276 -4.160
58 HB11 AIB 9 HB11 AIB 9 -1.178 10.973 -7.367
59 HB12 AIB 9 HB12 AIB 9 -1.643 10.241 -5.832
60 HB13 AIB 9 HB13 AIB 9 -0.131 9.773 -6.610
61 HB21 AIB 9 HB21 AIB 9 0.567 12.316 -7.622
62 HB22 AIB 9 HB22 AIB 9 1.874 11.850 -6.534
63 HB23 AIB 9 HB23 AIB 9 1.057 13.397 -6.317
64 H AIB 10 H AIB 10 -0.981 12.031 -3.330
65 HB11 AIB 10 HB11 AIB 10 -3.516 13.287 -1.557
66 HB12 AIB 10 HB12 AIB 10 -2.034 14.203 -1.279
67 HB13 AIB 10 HB13 AIB 10 -1.954 12.466 -1.576
68 HB21 AIB 10 HB21 AIB 10 -4.023 12.426 -3.893
69 HB22 AIB 10 HB22 AIB 10 -3.652 13.727 -5.024
70 HB23 AIB 10 HB23 AIB 10 -4.442 14.091 -3.490
71 HA HYP 11 HA HYP 11 -0.502 17.405 -2.642
72 HB2 HYP 11 HB2 HYP 11 2.067 16.294 -3.639
73 HB3 HYP 11 HB3 HYP 11 1.752 17.323 -2.236
74 HG HYP 11 HG HYP 11 2.104 14.541 -2.230
75 HD22 HYP 11 HD22 HYP 11 0.541 13.585 -3.126
76 HD23 HYP 11 HD23 HYP 11 -0.173 14.002 -1.556
77 HD1 HYP 11 HD1 HYP 11 1.320 14.845 0.013
78 H GLN 12 H GLN 12 -0.345 15.295 -5.370
79 HA GLN 12 HA GLN 12 0.396 17.409 -7.219
80 HB2 GLN 12 HB2 GLN 12 -0.145 14.469 -7.496
81 HB3 GLN 12 HB3 GLN 12 -0.079 15.505 -8.916
82 HG2 GLN 12 HG2 GLN 12 2.130 15.178 -6.897
83 HG3 GLN 12 HG3 GLN 12 2.050 14.380 -8.467
84 HE21 GLN 12 HE21 GLN 12 3.283 16.957 -6.819
85 HE22 GLN 12 HE22 GLN 12 3.650 17.996 -8.150
86 H DIV 13 H DIV 13 -2.431 16.097 -5.860
87 HB11 DIV 13 HB11 DIV 13 -4.235 16.946 -9.124
88 HB12 DIV 13 HB12 DIV 13 -5.468 15.996 -8.329
89 HG11 DIV 13 HG11 DIV 13 -4.184 14.392 -9.374
90 HG12 DIV 13 HG12 DIV 13 -3.522 14.392 -7.739
91 HG13 DIV 13 HG13 DIV 13 -2.671 15.233 -9.035
92 HB21 DIV 13 HB21 DIV 13 -4.394 15.546 -5.346
93 HB22 DIV 13 HB22 DIV 13 -5.817 15.865 -6.338
94 HB23 DIV 13 HB23 DIV 13 -5.226 17.097 -5.223
95 HA HYP 14 HA HYP 14 -4.832 20.899 -6.341
96 HB2 HYP 14 HB2 HYP 14 -3.216 21.765 -4.324
97 HB3 HYP 14 HB3 HYP 14 -4.757 20.945 -4.051
98 HG HYP 14 HG HYP 14 -2.003 19.928 -3.782
99 HD22 HYP 14 HD22 HYP 14 -2.121 18.150 -5.110
100 HD23 HYP 14 HD23 HYP 14 -3.703 17.756 -4.406
101 HD1 HYP 14 HD1 HYP 14 -3.254 18.424 -2.398
102 H AIB 15 H AIB 15 -1.892 19.499 -7.141
103 HB11 AIB 15 HB11 AIB 15 0.042 19.859 -9.659
104 HB12 AIB 15 HB12 AIB 15 -0.221 18.933 -8.182
105 HB13 AIB 15 HB13 AIB 15 1.169 20.011 -8.311
106 HB21 AIB 15 HB21 AIB 15 0.921 22.372 -7.673
107 HB22 AIB 15 HB22 AIB 15 0.640 21.230 -6.358
108 HB23 AIB 15 HB23 AIB 15 -0.453 22.594 -6.589
109 HA PRO 16 HA PRO 16 -1.948 22.076 -11.971
110 HB2 PRO 16 HB2 PRO 16 -4.717 21.365 -11.126
111 HB3 PRO 16 HB3 PRO 16 -3.900 21.073 -12.666
112 HG2 PRO 16 HG2 PRO 16 -4.255 19.124 -10.837
113 HG3 PRO 16 HG3 PRO 16 -2.833 19.186 -11.895
114 HD2 PRO 16 HD2 PRO 16 -3.018 19.687 -8.996
115 HD3 PRO 16 HD3 PRO 16 -1.668 19.202 -10.043
116 H PHL 17 H PHL 17 -3.647 22.706 -8.949
117 HA PHL 17 HA PHL 17 -4.608 25.278 -9.923
118 HC1 PHL 17 HC1 PHL 17 -3.536 26.048 -7.519
119 HC2 PHL 17 HC2 PHL 17 -2.299 24.956 -8.148
120 HO PHL 17 HO PHL 17 -2.085 26.239 -9.949
121 HB2 PHL 17 HB2 PHL 17 -5.107 23.627 -7.474
122 HB3 PHL 17 HB3 PHL 17 -5.472 25.349 -7.445
123 HD1 PHL 17 HD1 PHL 17 -6.868 26.184 -9.540
124 HD2 PHL 17 HD2 PHL 17 -6.777 22.184 -8.090
125 HE1 PHL 17 HE1 PHL 17 -9.033 25.745 -10.625
126 HE2 PHL 17 HE2 PHL 17 -8.941 21.738 -9.172
127 HZ PHL 17 HZ PHL 17 -10.071 23.520 -10.442
Start of MODEL 11
1 H1 ACE 1 H1 ACE 1 1.533 -0.681 -0.735
2 H2 ACE 1 H2 ACE 1 2.711 0.558 -0.302
3 H3 ACE 1 H3 ACE 1 3.082 -0.607 -1.574
4 H PHE 2 H PHE 2 0.744 -0.612 -3.023
5 HA PHE 2 HA PHE 2 1.040 1.686 -4.626
6 HB2 PHE 2 HB2 PHE 2 0.165 -0.622 -5.307
7 HB3 PHE 2 HB3 PHE 2 -1.383 -0.107 -4.645
8 HD1 PHE 2 HD2 PHE 2 -2.504 1.918 -5.627
9 HD2 PHE 2 HD1 PHE 2 0.848 0.031 -7.449
10 HE1 PHE 2 HE2 PHE 2 -3.050 3.016 -7.760
11 HE2 PHE 2 HE1 PHE 2 0.308 1.126 -9.585
12 HZ PHE 2 HZ PHE 2 -1.643 2.620 -9.743
13 H AIB 3 H AIB 3 -1.685 0.679 -2.557
14 HB11 AIB 3 HB11 AIB 3 -4.270 1.145 -1.664
15 HB12 AIB 3 HB12 AIB 3 -3.951 2.314 -0.383
16 HB13 AIB 3 HB13 AIB 3 -2.863 0.946 -0.619
17 HB21 AIB 3 HB21 AIB 3 -3.910 2.317 -3.814
18 HB22 AIB 3 HB22 AIB 3 -3.015 3.833 -3.720
19 HB23 AIB 3 HB23 AIB 3 -4.415 3.570 -2.680
20 H AIB 4 H AIB 4 -0.748 2.299 -0.434
21 HB11 AIB 4 HB11 AIB 4 0.380 2.561 1.487
22 HB12 AIB 4 HB12 AIB 4 1.044 4.113 1.999
23 HB13 AIB 4 HB13 AIB 4 1.684 3.309 0.566
24 HB21 AIB 4 HB21 AIB 4 -0.636 5.528 1.933
25 HB22 AIB 4 HB22 AIB 4 -1.878 4.307 1.652
26 HB23 AIB 4 HB23 AIB 4 -1.754 5.702 0.580
27 H AIB 5 H AIB 5 0.873 3.711 -1.938
28 HB11 AIB 5 HB11 AIB 5 1.660 3.638 -3.824
29 HB12 AIB 5 HB12 AIB 5 3.112 4.607 -4.082
30 HB13 AIB 5 HB13 AIB 5 1.592 5.075 -4.845
31 HB21 AIB 5 HB21 AIB 5 2.724 6.826 -1.429
32 HB22 AIB 5 HB22 AIB 5 3.613 6.420 -2.897
33 HB23 AIB 5 HB23 AIB 5 3.478 5.240 -1.593
34 H DIV 6 H DIV 6 -0.837 5.530 -2.920
35 HB11 DIV 6 HB11 DIV 6 -0.402 8.299 -5.218
36 HB12 DIV 6 HB12 DIV 6 -2.140 8.356 -5.387
37 HG11 DIV 6 HG11 DIV 6 -1.557 6.765 -6.938
38 HG12 DIV 6 HG12 DIV 6 -1.956 5.767 -5.540
39 HG13 DIV 6 HG13 DIV 6 -0.269 6.102 -5.932
40 HB21 DIV 6 HB21 DIV 6 -2.947 5.893 -3.525
41 HB22 DIV 6 HB22 DIV 6 -3.582 7.491 -3.916
42 HB23 DIV 6 HB23 DIV 6 -3.125 7.105 -2.257
43 H GLY 7 H GLY 7 -0.613 7.630 -1.191
44 HA2 GLY 7 HA2 GLY 7 -1.408 10.170 -0.433
45 HA3 GLY 7 HA3 GLY 7 -0.018 9.328 0.236
46 H LEU 8 H LEU 8 1.440 9.215 -2.261
47 HA LEU 8 HA LEU 8 2.684 11.790 -2.120
48 HB2 LEU 8 HB2 LEU 8 3.182 9.533 -4.055
49 HB3 LEU 8 HB3 LEU 8 4.242 10.910 -3.763
50 HG LEU 8 HG LEU 8 3.734 8.517 -2.035
51 HD11 LEU 8 HD11 LEU 8 6.245 8.647 -1.909
52 HD12 LEU 8 HD12 LEU 8 6.162 9.909 -3.137
53 HD13 LEU 8 HD13 LEU 8 5.579 8.285 -3.501
54 HD21 LEU 8 HD21 LEU 8 3.442 10.147 -0.410
55 HD22 LEU 8 HD22 LEU 8 4.576 11.259 -1.176
56 HD23 LEU 8 HD23 LEU 8 5.175 9.827 -0.338
57 H AIB 9 H AIB 9 0.332 10.285 -4.167
58 HB11 AIB 9 HB11 AIB 9 -0.177 9.787 -6.605
59 HB12 AIB 9 HB12 AIB 9 -1.236 10.994 -7.334
60 HB13 AIB 9 HB13 AIB 9 -1.665 10.263 -5.788
61 HB21 AIB 9 HB21 AIB 9 1.042 13.402 -6.341
62 HB22 AIB 9 HB22 AIB 9 0.512 12.325 -7.633
63 HB23 AIB 9 HB23 AIB 9 1.843 11.849 -6.579
64 H AIB 10 H AIB 10 -0.927 12.049 -3.304
65 HB11 AIB 10 HB11 AIB 10 -1.913 14.227 -1.225
66 HB12 AIB 10 HB12 AIB 10 -1.853 12.490 -1.525
67 HB13 AIB 10 HB13 AIB 10 -3.407 13.321 -1.466
68 HB21 AIB 10 HB21 AIB 10 -3.980 12.465 -3.788
69 HB22 AIB 10 HB22 AIB 10 -3.629 13.764 -4.928
70 HB23 AIB 10 HB23 AIB 10 -4.377 14.133 -3.374
71 HA HYP 11 HA HYP 11 -0.395 17.419 -2.627
72 HB2 HYP 11 HB2 HYP 11 2.141 16.292 -3.689
73 HB3 HYP 11 HB3 HYP 11 1.869 17.322 -2.279
74 HG HYP 11 HG HYP 11 2.162 14.515 -2.316
75 HD22 HYP 11 HD22 HYP 11 0.610 13.593 -3.138
76 HD23 HYP 11 HD23 HYP 11 -0.061 14.014 -1.550
77 HD1 HYP 11 HD1 HYP 11 1.072 15.246 -0.016
78 H GLN 12 H GLN 12 -0.322 15.309 -5.359
79 HA GLN 12 HA GLN 12 0.387 17.419 -7.225
80 HB2 GLN 12 HB2 GLN 12 -0.182 14.483 -7.488
81 HB3 GLN 12 HB3 GLN 12 -0.145 15.518 -8.909
82 HG2 GLN 12 HG2 GLN 12 2.115 15.204 -6.947
83 HG3 GLN 12 HG3 GLN 12 1.986 14.364 -8.491
84 HE21 GLN 12 HE21 GLN 12 2.913 17.218 -6.893
85 HE22 GLN 12 HE22 GLN 12 3.390 18.124 -8.284
86 H DIV 13 H DIV 13 -2.414 16.125 -5.794
87 HB11 DIV 13 HB11 DIV 13 -4.295 16.988 -9.011
88 HB12 DIV 13 HB12 DIV 13 -5.514 16.046 -8.185
89 HG11 DIV 13 HG11 DIV 13 -4.268 14.434 -9.263
90 HG12 DIV 13 HG12 DIV 13 -3.565 14.429 -7.645
91 HG13 DIV 13 HG13 DIV 13 -2.741 15.264 -8.962
92 HB21 DIV 13 HB21 DIV 13 -5.185 17.144 -5.086
93 HB22 DIV 13 HB22 DIV 13 -4.367 15.588 -5.231
94 HB23 DIV 13 HB23 DIV 13 -5.813 15.917 -6.186
95 HA HYP 14 HA HYP 14 -4.794 20.944 -6.213
96 HB2 HYP 14 HB2 HYP 14 -3.120 21.799 -4.238
97 HB3 HYP 14 HB3 HYP 14 -4.660 20.988 -3.925
98 HG HYP 14 HG HYP 14 -1.927 19.983 -3.635
99 HD22 HYP 14 HD22 HYP 14 -2.071 18.176 -5.052
100 HD23 HYP 14 HD23 HYP 14 -3.637 17.792 -4.308
101 HD1 HYP 14 HD1 HYP 14 -3.068 19.533 -1.865
102 H AIB 15 H AIB 15 -1.885 19.524 -7.087
103 HB11 AIB 15 HB11 AIB 15 -0.014 19.873 -9.655
104 HB12 AIB 15 HB12 AIB 15 -0.245 18.947 -8.171
105 HB13 AIB 15 HB13 AIB 15 1.148 20.016 -8.336
106 HB21 AIB 15 HB21 AIB 15 1.202 21.849 -7.463
107 HB22 AIB 15 HB22 AIB 15 0.164 21.481 -6.086
108 HB23 AIB 15 HB23 AIB 15 -0.166 22.896 -7.085
109 HA PRO 16 HA PRO 16 -2.047 22.103 -11.914
110 HB2 PRO 16 HB2 PRO 16 -4.799 21.412 -10.998
111 HB3 PRO 16 HB3 PRO 16 -4.024 21.114 -12.558
112 HG2 PRO 16 HG2 PRO 16 -4.345 19.168 -10.719
113 HG3 PRO 16 HG3 PRO 16 -2.952 19.219 -11.815
114 HD2 PRO 16 HD2 PRO 16 -3.056 19.721 -8.914
115 HD3 PRO 16 HD3 PRO 16 -1.738 19.227 -9.995
116 H PHL 17 H PHL 17 -3.665 22.745 -8.850
117 HA PHL 17 HA PHL 17 -4.337 25.447 -9.801
118 HC1 PHL 17 HC1 PHL 17 -3.369 24.932 -7.000
119 HC2 PHL 17 HC2 PHL 17 -2.249 25.303 -8.314
120 HO PHL 17 HO PHL 17 -4.139 26.943 -7.061
121 HB2 PHL 17 HB2 PHL 17 -5.491 23.853 -7.504
122 HB3 PHL 17 HB3 PHL 17 -5.936 25.510 -7.897
123 HD1 PHL 17 HD1 PHL 17 -6.838 25.920 -10.287
124 HD2 PHL 17 HD2 PHL 17 -6.668 22.095 -8.428
125 HE1 PHL 17 HE1 PHL 17 -8.553 25.091 -11.844
126 HE2 PHL 17 HE2 PHL 17 -8.382 21.259 -9.983
127 HZ PHL 17 HZ PHL 17 -9.327 22.758 -11.694
Start of MODEL 12
1 H1 ACE 1 H1 ACE 1 2.134 0.335 -0.127
2 H2 ACE 1 H2 ACE 1 3.437 -0.070 -1.244
3 H3 ACE 1 H3 ACE 1 1.952 -1.020 -1.241
4 H PHE 2 H PHE 2 0.840 -0.628 -3.045
5 HA PHE 2 HA PHE 2 1.133 1.678 -4.636
6 HB2 PHE 2 HB2 PHE 2 0.288 -0.637 -5.334
7 HB3 PHE 2 HB3 PHE 2 -1.273 -0.136 -4.692
8 HD1 PHE 2 HD1 PHE 2 1.351 1.454 -6.822
9 HD2 PHE 2 HD2 PHE 2 -2.757 0.457 -6.325
10 HE1 PHE 2 HE1 PHE 2 0.829 2.553 -8.960
11 HE2 PHE 2 HE2 PHE 2 -3.285 1.554 -8.463
12 HZ PHE 2 HZ PHE 2 -1.491 2.603 -9.784
13 H AIB 3 H AIB 3 -1.606 0.638 -2.603
14 HB11 AIB 3 HB11 AIB 3 -3.510 2.097 -0.224
15 HB12 AIB 3 HB12 AIB 3 -2.984 0.633 -1.056
16 HB13 AIB 3 HB13 AIB 3 -4.437 1.477 -1.590
17 HB21 AIB 3 HB21 AIB 3 -3.725 2.288 -3.955
18 HB22 AIB 3 HB22 AIB 3 -2.999 3.872 -3.683
19 HB23 AIB 3 HB23 AIB 3 -4.424 3.386 -2.764
20 H AIB 4 H AIB 4 -0.710 2.259 -0.465
21 HB11 AIB 4 HB11 AIB 4 1.708 3.309 0.575
22 HB12 AIB 4 HB12 AIB 4 0.401 2.515 1.453
23 HB13 AIB 4 HB13 AIB 4 1.018 4.071 2.008
24 HB21 AIB 4 HB21 AIB 4 -1.884 4.249 1.616
25 HB22 AIB 4 HB22 AIB 4 -1.762 5.648 0.549
26 HB23 AIB 4 HB23 AIB 4 -0.658 5.481 1.914
27 H AIB 5 H AIB 5 0.915 3.692 -1.943
28 HB11 AIB 5 HB11 AIB 5 3.170 4.616 -4.057
29 HB12 AIB 5 HB12 AIB 5 1.656 5.073 -4.837
30 HB13 AIB 5 HB13 AIB 5 1.725 3.634 -3.820
31 HB21 AIB 5 HB21 AIB 5 2.729 6.818 -1.396
32 HB22 AIB 5 HB22 AIB 5 3.637 6.437 -2.860
33 HB23 AIB 5 HB23 AIB 5 3.505 5.243 -1.568
34 H DIV 6 H DIV 6 -0.801 5.498 -2.940
35 HB11 DIV 6 HB11 DIV 6 -0.364 8.279 -5.223
36 HB12 DIV 6 HB12 DIV 6 -2.101 8.320 -5.412
37 HG11 DIV 6 HG11 DIV 6 -0.232 6.024 -5.857
38 HG12 DIV 6 HG12 DIV 6 -1.376 6.759 -6.980
39 HG13 DIV 6 HG13 DIV 6 -1.965 5.777 -5.639
40 HB21 DIV 6 HB21 DIV 6 -3.024 6.818 -2.273
41 HB22 DIV 6 HB22 DIV 6 -2.976 5.924 -3.792
42 HB23 DIV 6 HB23 DIV 6 -3.570 7.585 -3.765
43 H GLY 7 H GLY 7 -0.617 7.594 -1.201
44 HA2 GLY 7 HA2 GLY 7 -1.445 10.123 -0.443
45 HA3 GLY 7 HA3 GLY 7 -0.056 9.292 0.239
46 H LEU 8 H LEU 8 1.433 9.202 -2.241
47 HA LEU 8 HA LEU 8 2.651 11.788 -2.076
48 HB2 LEU 8 HB2 LEU 8 3.194 9.542 -4.012
49 HB3 LEU 8 HB3 LEU 8 4.237 10.929 -3.702
50 HG LEU 8 HG LEU 8 3.731 8.525 -1.989
51 HD11 LEU 8 HD11 LEU 8 6.240 8.681 -1.831
52 HD12 LEU 8 HD12 LEU 8 6.158 9.943 -3.059
53 HD13 LEU 8 HD13 LEU 8 5.595 8.314 -3.432
54 HD21 LEU 8 HD21 LEU 8 4.507 11.277 -1.113
55 HD22 LEU 8 HD22 LEU 8 5.160 9.863 -0.284
56 HD23 LEU 8 HD23 LEU 8 3.416 10.122 -0.347
57 H AIB 9 H AIB 9 0.338 10.269 -4.156
58 HB11 AIB 9 HB11 AIB 9 -1.191 10.972 -7.343
59 HB12 AIB 9 HB12 AIB 9 -1.644 10.239 -5.804
60 HB13 AIB 9 HB13 AIB 9 -0.138 9.771 -6.595
61 HB21 AIB 9 HB21 AIB 9 0.541 12.322 -7.612
62 HB22 AIB 9 HB22 AIB 9 1.864 11.855 -6.544
63 HB23 AIB 9 HB23 AIB 9 1.045 13.400 -6.311
64 H AIB 10 H AIB 10 -0.948 12.017 -3.302
65 HB11 AIB 10 HB11 AIB 10 -1.979 14.178 -1.228
66 HB12 AIB 10 HB12 AIB 10 -1.899 12.443 -1.533
67 HB13 AIB 10 HB13 AIB 10 -3.462 13.259 -1.490
68 HB21 AIB 10 HB21 AIB 10 -3.999 12.406 -3.822
69 HB22 AIB 10 HB22 AIB 10 -3.646 13.712 -4.953
70 HB23 AIB 10 HB23 AIB 10 -4.417 14.068 -3.407
71 HA HYP 11 HA HYP 11 -0.475 17.390 -2.600
72 HB2 HYP 11 HB2 HYP 11 2.084 16.290 -3.636
73 HB3 HYP 11 HB3 HYP 11 1.785 17.312 -2.225
74 HG HYP 11 HG HYP 11 2.141 14.530 -2.237
75 HD22 HYP 11 HD22 HYP 11 0.573 13.575 -3.113
76 HD23 HYP 11 HD23 HYP 11 -0.122 13.984 -1.531
77 HD1 HYP 11 HD1 HYP 11 0.799 15.937 -0.162
78 H GLN 12 H GLN 12 -0.349 15.290 -5.338
79 HA GLN 12 HA GLN 12 0.362 17.414 -7.189
80 HB2 GLN 12 HB2 GLN 12 -0.176 14.473 -7.469
81 HB3 GLN 12 HB3 GLN 12 -0.132 15.514 -8.885
82 HG2 GLN 12 HG2 GLN 12 2.120 15.390 -6.906
83 HG3 GLN 12 HG3 GLN 12 2.004 14.300 -8.287
84 HE21 GLN 12 HE21 GLN 12 2.933 17.370 -7.191
85 HE22 GLN 12 HE22 GLN 12 3.379 18.047 -8.717
86 H DIV 13 H DIV 13 -2.443 16.088 -5.796
87 HB11 DIV 13 HB11 DIV 13 -4.294 16.944 -9.032
88 HB12 DIV 13 HB12 DIV 13 -5.513 15.988 -8.224
89 HG11 DIV 13 HG11 DIV 13 -4.239 14.391 -9.292
90 HG12 DIV 13 HG12 DIV 13 -3.556 14.388 -7.666
91 HG13 DIV 13 HG13 DIV 13 -2.724 15.235 -8.970
92 HB21 DIV 13 HB21 DIV 13 -4.398 15.530 -5.258
93 HB22 DIV 13 HB22 DIV 13 -5.835 15.849 -6.230
94 HB23 DIV 13 HB23 DIV 13 -5.232 17.078 -5.117
95 HA HYP 14 HA HYP 14 -4.864 20.885 -6.227
96 HB2 HYP 14 HB2 HYP 14 -3.223 21.749 -4.229
97 HB3 HYP 14 HB3 HYP 14 -4.758 20.923 -3.937
98 HG HYP 14 HG HYP 14 -1.991 19.901 -3.743
99 HD22 HYP 14 HD22 HYP 14 -2.129 18.139 -5.042
100 HD23 HYP 14 HD23 HYP 14 -3.700 17.738 -4.318
101 HD1 HYP 14 HD1 HYP 14 -3.548 20.040 -1.956
102 H AIB 15 H AIB 15 -1.931 19.496 -7.071
103 HB11 AIB 15 HB11 AIB 15 -0.273 18.939 -8.137
104 HB12 AIB 15 HB12 AIB 15 1.112 20.021 -8.282
105 HB13 AIB 15 HB13 AIB 15 -0.033 19.871 -9.615
106 HB21 AIB 15 HB21 AIB 15 0.827 21.233 -6.529
107 HB22 AIB 15 HB22 AIB 15 -0.501 22.374 -6.316
108 HB23 AIB 15 HB23 AIB 15 0.653 22.598 -7.631
109 HA PRO 16 HA PRO 16 -2.060 22.091 -11.890
110 HB2 PRO 16 HB2 PRO 16 -4.816 21.370 -11.010
111 HB3 PRO 16 HB3 PRO 16 -4.019 21.085 -12.562
112 HG2 PRO 16 HG2 PRO 16 -4.344 19.129 -10.735
113 HG3 PRO 16 HG3 PRO 16 -2.938 19.198 -11.813
114 HD2 PRO 16 HD2 PRO 16 -3.083 19.689 -8.911
115 HD3 PRO 16 HD3 PRO 16 -1.746 19.211 -9.978
116 H PHL 17 H PHL 17 -3.720 22.706 -8.843
117 HA PHL 17 HA PHL 17 -4.462 25.384 -9.801
118 HC1 PHL 17 HC1 PHL 17 -3.614 26.451 -7.862
119 HC2 PHL 17 HC2 PHL 17 -3.329 24.909 -7.050
120 HO PHL 17 HO PHL 17 -1.356 25.348 -7.801
121 HB2 PHL 17 HB2 PHL 17 -5.544 23.628 -7.611
122 HB3 PHL 17 HB3 PHL 17 -5.865 25.359 -7.630
123 HD1 PHL 17 HD1 PHL 17 -6.580 26.170 -10.144
124 HD2 PHL 17 HD2 PHL 17 -7.233 22.330 -8.430
125 HE1 PHL 17 HE1 PHL 17 -8.460 25.805 -11.688
126 HE2 PHL 17 HE2 PHL 17 -9.114 21.958 -9.971
127 HZ PHL 17 HZ PHL 17 -9.729 23.696 -11.604
Start of MODEL 13
1 H1 ACE 1 H1 ACE 1 2.373 0.514 -0.102
2 H2 ACE 1 H2 ACE 1 3.255 -0.359 -1.355
3 H3 ACE 1 H3 ACE 1 1.625 -0.864 -0.909
4 H PHE 2 H PHE 2 0.798 -0.622 -2.997
5 HA PHE 2 HA PHE 2 1.125 1.677 -4.592
6 HB2 PHE 2 HB2 PHE 2 0.295 -0.640 -5.299
7 HB3 PHE 2 HB3 PHE 2 -1.279 -0.138 -4.691
8 HD1 PHE 2 HD2 PHE 2 1.303 0.507 -7.229
9 HD2 PHE 2 HD1 PHE 2 -2.645 1.386 -5.901
10 HE1 PHE 2 HE2 PHE 2 0.825 1.597 -9.382
11 HE2 PHE 2 HE1 PHE 2 -3.130 2.475 -8.053
12 HZ PHE 2 HZ PHE 2 -1.394 2.583 -9.797
13 H AIB 3 H AIB 3 -1.658 0.646 -2.614
14 HB11 AIB 3 HB11 AIB 3 -4.415 1.290 -1.757
15 HB12 AIB 3 HB12 AIB 3 -3.809 2.209 -0.380
16 HB13 AIB 3 HB13 AIB 3 -2.965 0.753 -0.908
17 HB21 AIB 3 HB21 AIB 3 -4.452 3.434 -2.841
18 HB22 AIB 3 HB22 AIB 3 -3.784 2.278 -3.994
19 HB23 AIB 3 HB23 AIB 3 -3.009 3.846 -3.768
20 H AIB 4 H AIB 4 -0.808 2.276 -0.463
21 HB11 AIB 4 HB11 AIB 4 0.904 4.120 2.013
22 HB12 AIB 4 HB12 AIB 4 1.569 3.287 0.609
23 HB13 AIB 4 HB13 AIB 4 0.242 2.563 1.516
24 HB21 AIB 4 HB21 AIB 4 -2.023 4.275 1.587
25 HB22 AIB 4 HB22 AIB 4 -1.884 5.666 0.512
26 HB23 AIB 4 HB23 AIB 4 -0.806 5.512 1.899
27 H AIB 5 H AIB 5 0.849 3.703 -1.913
28 HB11 AIB 5 HB11 AIB 5 1.700 3.636 -3.771
29 HB12 AIB 5 HB12 AIB 5 3.149 4.619 -3.983
30 HB13 AIB 5 HB13 AIB 5 1.650 5.071 -4.796
31 HB21 AIB 5 HB21 AIB 5 3.462 5.244 -1.539
32 HB22 AIB 5 HB22 AIB 5 2.647 6.789 -1.298
33 HB23 AIB 5 HB23 AIB 5 3.563 6.497 -2.776
34 H DIV 6 H DIV 6 -0.845 5.505 -2.954
35 HB11 DIV 6 HB11 DIV 6 -0.359 8.277 -5.238
36 HB12 DIV 6 HB12 DIV 6 -2.091 8.318 -5.465
37 HG11 DIV 6 HG11 DIV 6 -0.164 6.326 -6.292
38 HG12 DIV 6 HG12 DIV 6 -1.815 6.601 -6.846
39 HG13 DIV 6 HG13 DIV 6 -1.518 5.617 -5.413
40 HB21 DIV 6 HB21 DIV 6 -2.954 5.866 -3.701
41 HB22 DIV 6 HB22 DIV 6 -3.582 7.489 -3.987
42 HB23 DIV 6 HB23 DIV 6 -3.141 6.989 -2.354
43 H GLY 7 H GLY 7 -0.698 7.608 -1.220
44 HA2 GLY 7 HA2 GLY 7 -1.542 10.140 -0.490
45 HA3 GLY 7 HA3 GLY 7 -0.168 9.312 0.225
46 H LEU 8 H LEU 8 1.374 9.211 -2.222
47 HA LEU 8 HA LEU 8 2.589 11.798 -2.041
48 HB2 LEU 8 HB2 LEU 8 3.172 9.545 -3.956
49 HB3 LEU 8 HB3 LEU 8 4.208 10.933 -3.630
50 HG LEU 8 HG LEU 8 3.666 8.535 -1.918
51 HD11 LEU 8 HD11 LEU 8 6.170 8.689 -1.707
52 HD12 LEU 8 HD12 LEU 8 6.116 9.951 -2.938
53 HD13 LEU 8 HD13 LEU 8 5.561 8.321 -3.322
54 HD21 LEU 8 HD21 LEU 8 5.055 9.878 -0.187
55 HD22 LEU 8 HD22 LEU 8 3.314 10.138 -0.289
56 HD23 LEU 8 HD23 LEU 8 4.424 11.290 -1.035
57 H AIB 9 H AIB 9 0.321 10.271 -4.164
58 HB11 AIB 9 HB11 AIB 9 -1.139 10.961 -7.386
59 HB12 AIB 9 HB12 AIB 9 -1.626 10.235 -5.855
60 HB13 AIB 9 HB13 AIB 9 -0.104 9.763 -6.610
61 HB21 AIB 9 HB21 AIB 9 0.598 12.311 -7.624
62 HB22 AIB 9 HB22 AIB 9 1.898 11.848 -6.525
63 HB23 AIB 9 HB23 AIB 9 1.074 13.393 -6.316
64 H AIB 10 H AIB 10 -0.984 12.023 -3.345
65 HB11 AIB 10 HB11 AIB 10 -3.536 13.272 -1.592
66 HB12 AIB 10 HB12 AIB 10 -2.059 14.192 -1.302
67 HB13 AIB 10 HB13 AIB 10 -1.972 12.455 -1.598
68 HB21 AIB 10 HB21 AIB 10 -4.022 12.409 -3.932
69 HB22 AIB 10 HB22 AIB 10 -3.646 13.712 -5.060
70 HB23 AIB 10 HB23 AIB 10 -4.449 14.074 -3.533
71 HA HYP 11 HA HYP 11 -0.525 17.398 -2.654
72 HB2 HYP 11 HB2 HYP 11 2.055 16.294 -3.630
73 HB3 HYP 11 HB3 HYP 11 1.727 17.322 -2.230
74 HG HYP 11 HG HYP 11 2.059 14.525 -2.246
75 HD22 HYP 11 HD22 HYP 11 0.533 13.581 -3.129
76 HD23 HYP 11 HD23 HYP 11 -0.195 13.996 -1.564
77 HD1 HYP 11 HD1 HYP 11 1.839 14.807 -0.060
78 H GLN 12 H GLN 12 -0.340 15.287 -5.380
79 HA GLN 12 HA GLN 12 0.410 17.404 -7.224
80 HB2 GLN 12 HB2 GLN 12 -0.122 14.462 -7.504
81 HB3 GLN 12 HB3 GLN 12 -0.047 15.497 -8.923
82 HG2 GLN 12 HG2 GLN 12 2.152 15.247 -6.886
83 HG3 GLN 12 HG3 GLN 12 2.079 14.342 -8.397
84 HE21 GLN 12 HE21 GLN 12 2.908 17.282 -6.891
85 HE22 GLN 12 HE22 GLN 12 3.427 18.130 -8.304
86 H DIV 13 H DIV 13 -2.424 16.084 -5.886
87 HB11 DIV 13 HB11 DIV 13 -4.205 16.927 -9.165
88 HB12 DIV 13 HB12 DIV 13 -5.441 15.974 -8.380
89 HG11 DIV 13 HG11 DIV 13 -2.637 15.219 -9.063
90 HG12 DIV 13 HG12 DIV 13 -4.144 14.374 -9.414
91 HG13 DIV 13 HG13 DIV 13 -3.496 14.376 -7.774
92 HB21 DIV 13 HB21 DIV 13 -5.227 17.076 -5.272
93 HB22 DIV 13 HB22 DIV 13 -4.390 15.528 -5.389
94 HB23 DIV 13 HB23 DIV 13 -5.806 15.843 -6.392
95 HA HYP 14 HA HYP 14 -4.834 20.879 -6.388
96 HB2 HYP 14 HB2 HYP 14 -3.236 21.751 -4.359
97 HB3 HYP 14 HB3 HYP 14 -4.777 20.926 -4.097
98 HG HYP 14 HG HYP 14 -2.003 19.867 -3.934
99 HD22 HYP 14 HD22 HYP 14 -2.126 18.138 -5.134
100 HD23 HYP 14 HD23 HYP 14 -3.712 17.740 -4.443
101 HD1 HYP 14 HD1 HYP 14 -4.048 18.571 -2.625
102 H AIB 15 H AIB 15 -1.884 19.487 -7.164
103 HB11 AIB 15 HB11 AIB 15 -0.203 18.925 -8.192
104 HB12 AIB 15 HB12 AIB 15 1.184 20.007 -8.310
105 HB13 AIB 15 HB13 AIB 15 0.069 19.852 -9.667
106 HB21 AIB 15 HB21 AIB 15 0.972 22.306 -7.661
107 HB22 AIB 15 HB22 AIB 15 0.575 21.237 -6.315
108 HB23 AIB 15 HB23 AIB 15 -0.443 22.636 -6.661
109 HA PRO 16 HA PRO 16 -1.908 22.062 -11.995
110 HB2 PRO 16 HB2 PRO 16 -4.683 21.346 -11.172
111 HB3 PRO 16 HB3 PRO 16 -3.853 21.054 -12.705
112 HG2 PRO 16 HG2 PRO 16 -4.217 19.105 -10.877
113 HG3 PRO 16 HG3 PRO 16 -2.788 19.171 -11.925
114 HD2 PRO 16 HD2 PRO 16 -2.995 19.672 -9.029
115 HD3 PRO 16 HD3 PRO 16 -1.637 19.190 -10.065
116 H PHL 17 H PHL 17 -3.634 22.690 -8.987
117 HA PHL 17 HA PHL 17 -4.663 25.223 -9.956
118 HC1 PHL 17 HC1 PHL 17 -3.527 26.230 -7.755
119 HC2 PHL 17 HC2 PHL 17 -2.320 25.002 -8.146
120 HO PHL 17 HO PHL 17 -2.034 27.158 -9.142
121 HB2 PHL 17 HB2 PHL 17 -5.001 23.595 -7.476
122 HB3 PHL 17 HB3 PHL 17 -5.337 25.321 -7.396
123 HD1 PHL 17 HD1 PHL 17 -6.630 22.129 -8.213
124 HD2 PHL 17 HD2 PHL 17 -6.964 26.265 -9.161
125 HE1 PHL 17 HE1 PHL 17 -8.870 21.730 -9.150
126 HE2 PHL 17 HE2 PHL 17 -9.204 25.873 -10.098
127 HZ PHL 17 HZ PHL 17 -10.161 23.604 -10.093
Start of MODEL 14
1 H1 ACE 1 H1 ACE 1 2.017 0.349 -0.092
2 H2 ACE 1 H2 ACE 1 3.347 -0.046 -1.181
3 H3 ACE 1 H3 ACE 1 1.866 -1.004 -1.213
4 H PHE 2 H PHE 2 0.777 -0.611 -3.029
5 HA PHE 2 HA PHE 2 1.101 1.690 -4.621
6 HB2 PHE 2 HB2 PHE 2 0.264 -0.620 -5.332
7 HB3 PHE 2 HB3 PHE 2 -1.306 -0.123 -4.708
8 HD1 PHE 2 HD1 PHE 2 1.360 0.993 -7.055
9 HD2 PHE 2 HD2 PHE 2 -2.789 0.949 -6.109
10 HE1 PHE 2 HE1 PHE 2 0.863 2.092 -9.200
11 HE2 PHE 2 HE2 PHE 2 -3.293 2.047 -8.252
12 HZ PHE 2 HZ PHE 2 -1.466 2.619 -9.801
13 H AIB 3 H AIB 3 -1.673 0.663 -2.630
14 HB11 AIB 3 HB11 AIB 3 -3.098 0.650 -1.138
15 HB12 AIB 3 HB12 AIB 3 -4.530 1.548 -1.643
16 HB13 AIB 3 HB13 AIB 3 -3.574 2.111 -0.271
17 HB21 AIB 3 HB21 AIB 3 -3.011 3.848 -3.789
18 HB22 AIB 3 HB22 AIB 3 -4.447 3.485 -2.832
19 HB23 AIB 3 HB23 AIB 3 -3.828 2.296 -3.979
20 H AIB 4 H AIB 4 -0.807 2.287 -0.480
21 HB11 AIB 4 HB11 AIB 4 0.265 2.554 1.473
22 HB12 AIB 4 HB12 AIB 4 0.903 4.110 2.004
23 HB13 AIB 4 HB13 AIB 4 1.589 3.313 0.588
24 HB21 AIB 4 HB21 AIB 4 -2.006 4.284 1.581
25 HB22 AIB 4 HB22 AIB 4 -1.870 5.677 0.507
26 HB23 AIB 4 HB23 AIB 4 -0.784 5.519 1.887
27 H AIB 5 H AIB 5 0.845 3.712 -1.937
28 HB11 AIB 5 HB11 AIB 5 3.136 4.626 -4.018
29 HB12 AIB 5 HB12 AIB 5 1.633 5.083 -4.821
30 HB13 AIB 5 HB13 AIB 5 1.686 3.646 -3.800
31 HB21 AIB 5 HB21 AIB 5 3.601 6.421 -2.819
32 HB22 AIB 5 HB22 AIB 5 3.418 5.263 -1.501
33 HB23 AIB 5 HB23 AIB 5 2.662 6.852 -1.389
34 H DIV 6 H DIV 6 -0.850 5.520 -2.965
35 HB11 DIV 6 HB11 DIV 6 -0.370 8.295 -5.247
36 HB12 DIV 6 HB12 DIV 6 -2.103 8.340 -5.464
37 HG11 DIV 6 HG11 DIV 6 -0.291 5.963 -5.771
38 HG12 DIV 6 HG12 DIV 6 -1.218 6.788 -7.024
39 HG13 DIV 6 HG13 DIV 6 -2.051 5.858 -5.778
40 HB21 DIV 6 HB21 DIV 6 -3.587 7.510 -3.983
41 HB22 DIV 6 HB22 DIV 6 -3.141 7.014 -2.350
42 HB23 DIV 6 HB23 DIV 6 -2.961 5.887 -3.694
43 H GLY 7 H GLY 7 -0.688 7.620 -1.228
44 HA2 GLY 7 HA2 GLY 7 -1.521 10.153 -0.489
45 HA3 GLY 7 HA3 GLY 7 -0.145 9.319 0.218
46 H LEU 8 H LEU 8 1.383 9.219 -2.238
47 HA LEU 8 HA LEU 8 2.606 11.802 -2.059
48 HB2 LEU 8 HB2 LEU 8 3.173 9.550 -3.982
49 HB3 LEU 8 HB3 LEU 8 4.215 10.935 -3.659
50 HG LEU 8 HG LEU 8 3.675 8.536 -1.947
51 HD11 LEU 8 HD11 LEU 8 5.562 8.301 -3.344
52 HD12 LEU 8 HD12 LEU 8 6.188 8.705 -1.746
53 HD13 LEU 8 HD13 LEU 8 6.115 9.940 -3.002
54 HD21 LEU 8 HD21 LEU 8 5.093 9.887 -0.233
55 HD22 LEU 8 HD22 LEU 8 3.346 10.122 -0.304
56 HD23 LEU 8 HD23 LEU 8 4.426 11.291 -1.067
57 H AIB 9 H AIB 9 0.322 10.285 -4.173
58 HB11 AIB 9 HB11 AIB 9 -1.634 10.258 -5.853
59 HB12 AIB 9 HB12 AIB 9 -0.117 9.782 -6.617
60 HB13 AIB 9 HB13 AIB 9 -1.153 10.985 -7.386
61 HB21 AIB 9 HB21 AIB 9 1.891 11.862 -6.540
62 HB22 AIB 9 HB22 AIB 9 1.073 13.409 -6.323
63 HB23 AIB 9 HB23 AIB 9 0.586 12.330 -7.630
64 H AIB 10 H AIB 10 -0.972 12.039 -3.343
65 HB11 AIB 10 HB11 AIB 10 -2.030 14.207 -1.291
66 HB12 AIB 10 HB12 AIB 10 -1.951 12.471 -1.591
67 HB13 AIB 10 HB13 AIB 10 -3.511 13.292 -1.575
68 HB21 AIB 10 HB21 AIB 10 -4.433 14.100 -3.508
69 HB22 AIB 10 HB22 AIB 10 -4.013 12.435 -3.913
70 HB23 AIB 10 HB23 AIB 10 -3.639 13.739 -5.041
71 HA HYP 11 HA HYP 11 -0.495 17.412 -2.646
72 HB2 HYP 11 HB2 HYP 11 2.077 16.302 -3.638
73 HB3 HYP 11 HB3 HYP 11 1.759 17.328 -2.234
74 HG HYP 11 HG HYP 11 2.092 14.536 -2.248
75 HD22 HYP 11 HD22 HYP 11 0.550 13.592 -3.133
76 HD23 HYP 11 HD23 HYP 11 -0.169 14.007 -1.564
77 HD1 HYP 11 HD1 HYP 11 0.814 16.067 -0.205
78 H GLN 12 H GLN 12 -0.331 15.305 -5.377
79 HA GLN 12 HA GLN 12 0.416 17.423 -7.220
80 HB2 GLN 12 HB2 GLN 12 -0.126 14.483 -7.503
81 HB3 GLN 12 HB3 GLN 12 -0.056 15.521 -8.921
82 HG2 GLN 12 HG2 GLN 12 2.157 15.317 -6.898
83 HG3 GLN 12 HG3 GLN 12 2.068 14.333 -8.358
84 HE21 GLN 12 HE21 GLN 12 2.695 17.463 -7.045
85 HE22 GLN 12 HE22 GLN 12 3.288 18.188 -8.496
86 H DIV 13 H DIV 13 -2.415 16.109 -5.870
87 HB11 DIV 13 HB11 DIV 13 -4.211 16.963 -9.137
88 HB12 DIV 13 HB12 DIV 13 -5.446 16.012 -8.347
89 HG11 DIV 13 HG11 DIV 13 -2.648 15.250 -9.047
90 HG12 DIV 13 HG12 DIV 13 -4.160 14.410 -9.391
91 HG13 DIV 13 HG13 DIV 13 -3.502 14.408 -7.755
92 HB21 DIV 13 HB21 DIV 13 -5.212 17.108 -5.239
93 HB22 DIV 13 HB22 DIV 13 -4.380 15.558 -5.362
94 HB23 DIV 13 HB23 DIV 13 -5.800 15.879 -6.358
95 HA HYP 14 HA HYP 14 -4.814 20.912 -6.350
96 HB2 HYP 14 HB2 HYP 14 -3.203 21.775 -4.328
97 HB3 HYP 14 HB3 HYP 14 -4.745 20.954 -4.059
98 HG HYP 14 HG HYP 14 -1.973 19.804 -4.083
99 HD22 HYP 14 HD22 HYP 14 -2.107 18.160 -5.116
100 HD23 HYP 14 HD23 HYP 14 -3.691 17.766 -4.417
101 HD1 HYP 14 HD1 HYP 14 -2.835 20.230 -2.029
102 H AIB 15 H AIB 15 -1.873 19.512 -7.144
103 HB11 AIB 15 HB11 AIB 15 1.191 20.026 -8.307
104 HB12 AIB 15 HB12 AIB 15 0.067 19.877 -9.658
105 HB13 AIB 15 HB13 AIB 15 -0.199 18.948 -8.182
106 HB21 AIB 15 HB21 AIB 15 0.775 22.565 -7.674
107 HB22 AIB 15 HB22 AIB 15 0.840 21.236 -6.517
108 HB23 AIB 15 HB23 AIB 15 -0.450 22.434 -6.412
109 HA PRO 16 HA PRO 16 -1.916 22.097 -11.970
110 HB2 PRO 16 HB2 PRO 16 -4.688 21.386 -11.133
111 HB3 PRO 16 HB3 PRO 16 -3.867 21.096 -12.671
112 HG2 PRO 16 HG2 PRO 16 -4.227 19.144 -10.845
113 HG3 PRO 16 HG3 PRO 16 -2.803 19.207 -11.901
114 HD2 PRO 16 HD2 PRO 16 -2.993 19.704 -9.003
115 HD3 PRO 16 HD3 PRO 16 -1.642 19.220 -10.047
116 H PHL 17 H PHL 17 -3.623 22.724 -8.952
117 HA PHL 17 HA PHL 17 -4.598 25.288 -9.922
118 HC1 PHL 17 HC1 PHL 17 -3.056 25.400 -7.376
119 HC2 PHL 17 HC2 PHL 17 -2.155 25.390 -8.894
120 HO PHL 17 HO PHL 17 -4.168 27.247 -8.110
121 HB2 PHL 17 HB2 PHL 17 -4.960 23.810 -7.314
122 HB3 PHL 17 HB3 PHL 17 -5.584 25.433 -7.592
123 HD1 PHL 17 HD1 PHL 17 -6.158 21.933 -7.999
124 HD2 PHL 17 HD2 PHL 17 -7.220 25.771 -9.501
125 HE1 PHL 17 HE1 PHL 17 -8.185 20.973 -9.009
126 HE2 PHL 17 HE2 PHL 17 -9.249 24.817 -10.513
127 HZ PHL 17 HZ PHL 17 -9.735 22.416 -10.267
Start of MODEL 15
1 H1 ACE 1 H1 ACE 1 2.335 -1.034 -1.449
2 H2 ACE 1 H2 ACE 1 1.668 -0.020 -0.170
3 H3 ACE 1 H3 ACE 1 3.285 0.300 -0.796
4 H PHE 2 H PHE 2 0.777 -0.631 -2.991
5 HA PHE 2 HA PHE 2 1.090 1.667 -4.589
6 HB2 PHE 2 HB2 PHE 2 0.243 -0.645 -5.288
7 HB3 PHE 2 HB3 PHE 2 -1.321 -0.141 -4.654
8 HD1 PHE 2 HD1 PHE 2 1.333 0.969 -7.019
9 HD2 PHE 2 HD2 PHE 2 -2.812 0.923 -6.052
10 HE1 PHE 2 HE1 PHE 2 0.825 2.064 -9.163
11 HE2 PHE 2 HE2 PHE 2 -3.327 2.017 -8.195
12 HZ PHE 2 HZ PHE 2 -1.508 2.588 -9.754
13 H AIB 3 H AIB 3 -1.669 0.645 -2.573
14 HB11 AIB 3 HB11 AIB 3 -2.884 1.190 -0.406
15 HB12 AIB 3 HB12 AIB 3 -4.001 0.831 -1.722
16 HB13 AIB 3 HB13 AIB 3 -4.261 2.249 -0.707
17 HB21 AIB 3 HB21 AIB 3 -3.759 2.302 -3.954
18 HB22 AIB 3 HB22 AIB 3 -3.047 3.889 -3.666
19 HB23 AIB 3 HB23 AIB 3 -4.481 3.390 -2.768
20 H AIB 4 H AIB 4 -0.783 2.271 -0.434
21 HB11 AIB 4 HB11 AIB 4 1.631 3.318 0.621
22 HB12 AIB 4 HB12 AIB 4 0.315 2.530 1.490
23 HB13 AIB 4 HB13 AIB 4 0.931 4.086 2.046
24 HB21 AIB 4 HB21 AIB 4 -1.832 5.666 0.558
25 HB22 AIB 4 HB22 AIB 4 -0.737 5.506 1.931
26 HB23 AIB 4 HB23 AIB 4 -1.963 4.274 1.633
27 H AIB 5 H AIB 5 0.859 3.693 -1.906
28 HB11 AIB 5 HB11 AIB 5 1.683 3.623 -3.776
29 HB12 AIB 5 HB12 AIB 5 3.133 4.601 -4.007
30 HB13 AIB 5 HB13 AIB 5 1.625 5.059 -4.799
31 HB21 AIB 5 HB21 AIB 5 3.556 6.506 -2.800
32 HB22 AIB 5 HB22 AIB 5 3.500 5.218 -1.596
33 HB23 AIB 5 HB23 AIB 5 2.676 6.747 -1.290
34 H DIV 6 H DIV 6 -0.842 5.502 -2.922
35 HB11 DIV 6 HB11 DIV 6 -0.378 8.273 -5.212
36 HB12 DIV 6 HB12 DIV 6 -2.113 8.320 -5.414
37 HG11 DIV 6 HG11 DIV 6 -0.228 6.054 -5.891
38 HG12 DIV 6 HG12 DIV 6 -1.451 6.739 -6.961
39 HG13 DIV 6 HG13 DIV 6 -1.938 5.747 -5.587
40 HB21 DIV 6 HB21 DIV 6 -3.055 6.804 -2.278
41 HB22 DIV 6 HB22 DIV 6 -3.019 5.947 -3.819
42 HB23 DIV 6 HB23 DIV 6 -3.598 7.612 -3.748
43 H GLY 7 H GLY 7 -0.664 7.603 -1.190
44 HA2 GLY 7 HA2 GLY 7 -1.488 10.139 -0.448
45 HA3 GLY 7 HA3 GLY 7 -0.107 9.304 0.249
46 H LEU 8 H LEU 8 1.401 9.199 -2.219
47 HA LEU 8 HA LEU 8 2.628 11.780 -2.054
48 HB2 LEU 8 HB2 LEU 8 3.177 9.525 -3.977
49 HB3 LEU 8 HB3 LEU 8 4.222 10.909 -3.666
50 HG LEU 8 HG LEU 8 3.694 8.514 -1.945
51 HD11 LEU 8 HD11 LEU 8 5.568 8.282 -3.367
52 HD12 LEU 8 HD12 LEU 8 6.205 8.666 -1.768
53 HD13 LEU 8 HD13 LEU 8 6.132 9.915 -3.012
54 HD21 LEU 8 HD21 LEU 8 5.127 9.864 -0.244
55 HD22 LEU 8 HD22 LEU 8 3.381 10.106 -0.304
56 HD23 LEU 8 HD23 LEU 8 4.459 11.268 -1.076
57 H AIB 9 H AIB 9 0.325 10.263 -4.146
58 HB11 AIB 9 HB11 AIB 9 -1.190 10.965 -7.340
59 HB12 AIB 9 HB12 AIB 9 -1.634 10.224 -5.803
60 HB13 AIB 9 HB13 AIB 9 -0.130 9.765 -6.601
61 HB21 AIB 9 HB21 AIB 9 0.563 12.303 -7.609
62 HB22 AIB 9 HB22 AIB 9 1.876 11.834 -6.528
63 HB23 AIB 9 HB23 AIB 9 1.062 13.383 -6.307
64 H AIB 10 H AIB 10 -0.960 12.020 -3.309
65 HB11 AIB 10 HB11 AIB 10 -1.998 14.193 -1.251
66 HB12 AIB 10 HB12 AIB 10 -1.923 12.456 -1.549
67 HB13 AIB 10 HB13 AIB 10 -3.483 13.280 -1.521
68 HB21 AIB 10 HB21 AIB 10 -3.638 13.721 -4.987
69 HB22 AIB 10 HB22 AIB 10 -4.419 14.086 -3.448
70 HB23 AIB 10 HB23 AIB 10 -4.005 12.420 -3.854
71 HA HYP 11 HA HYP 11 -0.469 17.393 -2.623
72 HB2 HYP 11 HB2 HYP 11 2.093 16.279 -3.635
73 HB3 HYP 11 HB3 HYP 11 1.787 17.307 -2.230
74 HG HYP 11 HG HYP 11 2.114 14.513 -2.245
75 HD22 HYP 11 HD22 HYP 11 0.566 13.572 -3.113
76 HD23 HYP 11 HD23 HYP 11 -0.140 13.989 -1.539
77 HD1 HYP 11 HD1 HYP 11 1.025 16.279 -0.274
78 H GLN 12 H GLN 12 -0.331 15.283 -5.352
79 HA GLN 12 HA GLN 12 0.403 17.396 -7.205
80 HB2 GLN 12 HB2 GLN 12 -0.145 14.457 -7.479
81 HB3 GLN 12 HB3 GLN 12 -0.085 15.492 -8.899
82 HG2 GLN 12 HG2 GLN 12 2.134 15.160 -6.893
83 HG3 GLN 12 HG3 GLN 12 2.045 14.365 -8.464
84 HE21 GLN 12 HE21 GLN 12 2.667 17.311 -6.774
85 HE22 GLN 12 HE22 GLN 12 3.270 18.207 -8.123
86 H DIV 13 H DIV 13 -2.418 16.088 -5.829
87 HB11 DIV 13 HB11 DIV 13 -4.240 16.940 -9.083
88 HB12 DIV 13 HB12 DIV 13 -5.470 15.992 -8.281
89 HG11 DIV 13 HG11 DIV 13 -2.678 15.225 -9.004
90 HG12 DIV 13 HG12 DIV 13 -4.194 14.386 -9.333
91 HG13 DIV 13 HG13 DIV 13 -3.523 14.386 -7.702
92 HB21 DIV 13 HB21 DIV 13 -5.808 15.862 -6.289
93 HB22 DIV 13 HB22 DIV 13 -5.208 17.092 -5.177
94 HB23 DIV 13 HB23 DIV 13 -4.380 15.541 -5.305
95 HA HYP 14 HA HYP 14 -4.815 20.894 -6.297
96 HB2 HYP 14 HB2 HYP 14 -3.185 21.758 -4.289
97 HB3 HYP 14 HB3 HYP 14 -4.727 20.940 -4.007
98 HG HYP 14 HG HYP 14 -1.952 19.851 -3.921
99 HD22 HYP 14 HD22 HYP 14 -2.101 18.140 -5.081
100 HD23 HYP 14 HD23 HYP 14 -3.679 17.749 -4.368
101 HD1 HYP 14 HD1 HYP 14 -3.136 18.533 -2.266
102 H AIB 15 H AIB 15 -1.882 19.489 -7.113
103 HB11 AIB 15 HB11 AIB 15 1.173 19.997 -8.301
104 HB12 AIB 15 HB12 AIB 15 0.038 19.847 -9.643
105 HB13 AIB 15 HB13 AIB 15 -0.217 18.921 -8.164
106 HB21 AIB 15 HB21 AIB 15 -0.450 22.449 -6.432
107 HB22 AIB 15 HB22 AIB 15 0.804 22.501 -7.671
108 HB23 AIB 15 HB23 AIB 15 0.801 21.207 -6.473
109 HA PRO 16 HA PRO 16 -1.961 22.066 -11.943
110 HB2 PRO 16 HB2 PRO 16 -4.727 21.361 -11.082
111 HB3 PRO 16 HB3 PRO 16 -3.919 21.067 -12.626
112 HG2 PRO 16 HG2 PRO 16 -4.266 19.118 -10.795
113 HG3 PRO 16 HG3 PRO 16 -2.851 19.178 -11.862
114 HD2 PRO 16 HD2 PRO 16 -3.018 19.680 -8.963
115 HD3 PRO 16 HD3 PRO 16 -1.675 19.192 -10.017
116 H PHL 17 H PHL 17 -3.642 22.700 -8.911
117 HA PHL 17 HA PHL 17 -4.478 25.331 -9.890
118 HC1 PHL 17 HC1 PHL 17 -3.324 25.284 -7.161
119 HC2 PHL 17 HC2 PHL 17 -2.183 25.179 -8.505
120 HO PHL 17 HO PHL 17 -3.034 27.122 -9.317
121 HB2 PHL 17 HB2 PHL 17 -5.310 23.608 -7.580
122 HB3 PHL 17 HB3 PHL 17 -5.630 25.339 -7.545
123 HD1 PHL 17 HD1 PHL 17 -7.001 22.269 -8.332
124 HD2 PHL 17 HD2 PHL 17 -6.679 26.228 -9.861
125 HE1 PHL 17 HE1 PHL 17 -9.034 21.913 -9.671
126 HE2 PHL 17 HE2 PHL 17 -8.712 25.879 -11.202
127 HZ PHL 17 HZ PHL 17 -9.893 23.720 -11.108
Start of MODEL 16
1 H1 ACE 1 H1 ACE 1 2.799 -0.808 -1.597
2 H2 ACE 1 H2 ACE 1 1.470 -0.433 -0.500
3 H3 ACE 1 H3 ACE 1 2.941 0.539 -0.468
4 H PHE 2 H PHE 2 0.730 -0.606 -3.027
5 HA PHE 2 HA PHE 2 1.037 1.693 -4.626
6 HB2 PHE 2 HB2 PHE 2 0.175 -0.616 -5.317
7 HB3 PHE 2 HB3 PHE 2 -1.381 -0.105 -4.671
8 HD1 PHE 2 HD2 PHE 2 -2.655 1.669 -5.751
9 HD2 PHE 2 HD1 PHE 2 1.036 0.291 -7.362
10 HE1 PHE 2 HE2 PHE 2 -3.183 2.766 -7.889
11 HE2 PHE 2 HE1 PHE 2 0.514 1.387 -9.503
12 HZ PHE 2 HZ PHE 2 -1.598 2.626 -9.769
13 H AIB 3 H AIB 3 -1.707 0.680 -2.586
14 HB11 AIB 3 HB11 AIB 3 -4.330 1.176 -1.713
15 HB12 AIB 3 HB12 AIB 3 -3.962 2.302 -0.407
16 HB13 AIB 3 HB13 AIB 3 -2.915 0.912 -0.694
17 HB21 AIB 3 HB21 AIB 3 -4.467 3.520 -2.740
18 HB22 AIB 3 HB22 AIB 3 -3.882 2.322 -3.894
19 HB23 AIB 3 HB23 AIB 3 -3.047 3.867 -3.728
20 H AIB 4 H AIB 4 -0.796 2.300 -0.453
21 HB11 AIB 4 HB11 AIB 4 0.310 2.565 1.484
22 HB12 AIB 4 HB12 AIB 4 0.968 4.118 1.999
23 HB13 AIB 4 HB13 AIB 4 1.622 3.313 0.573
24 HB21 AIB 4 HB21 AIB 4 -0.716 5.530 1.916
25 HB22 AIB 4 HB22 AIB 4 -1.951 4.305 1.625
26 HB23 AIB 4 HB23 AIB 4 -1.822 5.698 0.552
27 H AIB 5 H AIB 5 0.838 3.717 -1.938
28 HB11 AIB 5 HB11 AIB 5 1.645 3.647 -3.816
29 HB12 AIB 5 HB12 AIB 5 3.096 4.619 -4.059
30 HB13 AIB 5 HB13 AIB 5 1.583 5.083 -4.837
31 HB21 AIB 5 HB21 AIB 5 3.565 6.467 -2.863
32 HB22 AIB 5 HB22 AIB 5 3.456 5.243 -1.598
33 HB23 AIB 5 HB23 AIB 5 2.674 6.809 -1.380
34 H DIV 6 H DIV 6 -0.866 5.533 -2.937
35 HB11 DIV 6 HB11 DIV 6 -0.412 8.304 -5.229
36 HB12 DIV 6 HB12 DIV 6 -2.149 8.358 -5.415
37 HG11 DIV 6 HG11 DIV 6 -2.075 5.842 -5.680
38 HG12 DIV 6 HG12 DIV 6 -0.323 6.009 -5.805
39 HG13 DIV 6 HG13 DIV 6 -1.371 6.794 -6.987
40 HB21 DIV 6 HB21 DIV 6 -3.032 5.963 -3.769
41 HB22 DIV 6 HB22 DIV 6 -3.620 7.626 -3.783
42 HB23 DIV 6 HB23 DIV 6 -3.085 6.893 -2.271
43 H GLY 7 H GLY 7 -0.664 7.632 -1.205
44 HA2 GLY 7 HA2 GLY 7 -1.473 10.170 -0.453
45 HA3 GLY 7 HA3 GLY 7 -0.088 9.330 0.230
46 H LEU 8 H LEU 8 1.396 9.221 -2.252
47 HA LEU 8 HA LEU 8 2.634 11.798 -2.096
48 HB2 LEU 8 HB2 LEU 8 3.157 9.543 -4.026
49 HB3 LEU 8 HB3 LEU 8 4.211 10.923 -3.723
50 HG LEU 8 HG LEU 8 3.690 8.528 -2.001
51 HD11 LEU 8 HD11 LEU 8 6.126 9.925 -3.078
52 HD12 LEU 8 HD12 LEU 8 5.550 8.299 -3.446
53 HD13 LEU 8 HD13 LEU 8 6.199 8.663 -1.847
54 HD21 LEU 8 HD21 LEU 8 5.140 9.870 -0.309
55 HD22 LEU 8 HD22 LEU 8 3.395 10.119 -0.355
56 HD23 LEU 8 HD23 LEU 8 4.472 11.279 -1.134
57 H AIB 9 H AIB 9 0.307 10.291 -4.168
58 HB11 AIB 9 HB11 AIB 9 -0.177 9.790 -6.605
59 HB12 AIB 9 HB12 AIB 9 -1.222 10.997 -7.355
60 HB13 AIB 9 HB13 AIB 9 -1.678 10.272 -5.813
61 HB21 AIB 9 HB21 AIB 9 1.841 11.859 -6.563
62 HB22 AIB 9 HB22 AIB 9 1.035 13.411 -6.333
63 HB23 AIB 9 HB23 AIB 9 0.520 12.333 -7.631
64 H AIB 10 H AIB 10 -0.965 12.052 -3.317
65 HB11 AIB 10 HB11 AIB 10 -3.466 13.319 -1.505
66 HB12 AIB 10 HB12 AIB 10 -1.976 14.227 -1.248
67 HB13 AIB 10 HB13 AIB 10 -1.910 12.490 -1.548
68 HB21 AIB 10 HB21 AIB 10 -4.013 12.463 -3.834
69 HB22 AIB 10 HB22 AIB 10 -3.652 13.764 -4.969
70 HB23 AIB 10 HB23 AIB 10 -4.417 14.130 -3.423
71 HA HYP 11 HA HYP 11 -0.449 17.423 -2.631
72 HB2 HYP 11 HB2 HYP 11 2.100 16.300 -3.667
73 HB3 HYP 11 HB3 HYP 11 1.811 17.329 -2.259
74 HG HYP 11 HG HYP 11 2.147 14.545 -2.262
75 HD22 HYP 11 HD22 HYP 11 0.568 13.598 -3.135
76 HD23 HYP 11 HD23 HYP 11 -0.121 14.017 -1.553
77 HD1 HYP 11 HD1 HYP 11 1.324 16.502 -0.407
78 H GLN 12 H GLN 12 -0.343 15.314 -5.363
79 HA GLN 12 HA GLN 12 0.381 17.427 -7.221
80 HB2 GLN 12 HB2 GLN 12 -0.179 14.490 -7.492
81 HB3 GLN 12 HB3 GLN 12 -0.129 15.527 -8.912
82 HG2 GLN 12 HG2 GLN 12 2.102 15.115 -6.934
83 HG3 GLN 12 HG3 GLN 12 2.002 14.431 -8.556
84 HE21 GLN 12 HE21 GLN 12 2.660 17.244 -6.667
85 HE22 GLN 12 HE22 GLN 12 3.256 18.230 -7.953
86 H DIV 13 H DIV 13 -2.432 16.127 -5.821
87 HB11 DIV 13 HB11 DIV 13 -4.281 16.989 -9.056
88 HB12 DIV 13 HB12 DIV 13 -5.506 16.044 -8.244
89 HG11 DIV 13 HG11 DIV 13 -4.246 14.435 -9.310
90 HG12 DIV 13 HG12 DIV 13 -3.560 14.431 -7.685
91 HG13 DIV 13 HG13 DIV 13 -2.724 15.268 -8.992
92 HB21 DIV 13 HB21 DIV 13 -5.212 17.141 -5.141
93 HB22 DIV 13 HB22 DIV 13 -4.390 15.587 -5.278
94 HB23 DIV 13 HB23 DIV 13 -5.826 15.913 -6.249
95 HA HYP 14 HA HYP 14 -4.816 20.942 -6.261
96 HB2 HYP 14 HB2 HYP 14 -3.165 21.798 -4.268
97 HB3 HYP 14 HB3 HYP 14 -4.706 20.985 -3.972
98 HG HYP 14 HG HYP 14 -1.972 19.981 -3.666
99 HD22 HYP 14 HD22 HYP 14 -2.101 18.178 -5.073
100 HD23 HYP 14 HD23 HYP 14 -3.674 17.791 -4.346
101 HD1 HYP 14 HD1 HYP 14 -3.166 19.615 -1.894
102 H AIB 15 H AIB 15 -1.895 19.528 -7.106
103 HB11 AIB 15 HB11 AIB 15 0.002 19.882 -9.653
104 HB12 AIB 15 HB12 AIB 15 -0.243 18.955 -8.173
105 HB13 AIB 15 HB13 AIB 15 1.150 20.026 -8.322
106 HB21 AIB 15 HB21 AIB 15 -0.447 22.495 -6.447
107 HB22 AIB 15 HB22 AIB 15 0.807 22.519 -7.687
108 HB23 AIB 15 HB23 AIB 15 0.788 21.236 -6.477
109 HA PRO 16 HA PRO 16 -2.010 22.110 -11.932
110 HB2 PRO 16 HB2 PRO 16 -4.771 21.413 -11.047
111 HB3 PRO 16 HB3 PRO 16 -3.978 21.118 -12.599
112 HG2 PRO 16 HG2 PRO 16 -4.315 19.169 -10.765
113 HG3 PRO 16 HG3 PRO 16 -2.910 19.225 -11.846
114 HD2 PRO 16 HD2 PRO 16 -3.047 19.724 -8.945
115 HD3 PRO 16 HD3 PRO 16 -1.716 19.233 -10.012
116 H PHL 17 H PHL 17 -3.661 22.747 -8.885
117 HA PHL 17 HA PHL 17 -4.460 25.397 -9.853
118 HC1 PHL 17 HC1 PHL 17 -3.695 26.256 -7.536
119 HC2 PHL 17 HC2 PHL 17 -2.693 24.802 -7.500
120 HO PHL 17 HO PHL 17 -1.932 26.981 -8.529
121 HB2 PHL 17 HB2 PHL 17 -5.271 23.901 -7.352
122 HB3 PHL 17 HB3 PHL 17 -5.867 25.490 -7.820
123 HD1 PHL 17 HD1 PHL 17 -5.940 21.906 -8.580
124 HD2 PHL 17 HD2 PHL 17 -7.499 25.744 -9.557
125 HE1 PHL 17 HE1 PHL 17 -7.738 20.841 -9.878
126 HE2 PHL 17 HE2 PHL 17 -9.300 24.685 -10.856
127 HZ PHL 17 HZ PHL 17 -9.423 22.231 -11.017
Start of MODEL 17
1 H1 ACE 1 H1 ACE 1 3.224 -0.064 -1.328
2 H2 ACE 1 H2 ACE 1 1.735 -1.008 -1.344
3 H3 ACE 1 H3 ACE 1 1.918 0.330 -0.210
4 H PHE 2 H PHE 2 0.614 -0.582 -3.134
5 HA PHE 2 HA PHE 2 0.929 1.737 -4.702
6 HB2 PHE 2 HB2 PHE 2 0.056 -0.556 -5.427
7 HB3 PHE 2 HB3 PHE 2 -1.496 -0.054 -4.764
8 HD1 PHE 2 HD2 PHE 2 1.093 1.681 -6.817
9 HD2 PHE 2 HD1 PHE 2 -2.962 0.439 -6.455
10 HE1 PHE 2 HE2 PHE 2 0.561 2.813 -8.935
11 HE2 PHE 2 HE1 PHE 2 -3.500 1.568 -8.573
12 HZ PHE 2 HZ PHE 2 -1.738 2.759 -9.816
13 H AIB 3 H AIB 3 -1.816 0.709 -2.670
14 HB11 AIB 3 HB11 AIB 3 -3.507 0.633 -1.466
15 HB12 AIB 3 HB12 AIB 3 -4.678 1.946 -1.345
16 HB13 AIB 3 HB13 AIB 3 -3.328 1.862 -0.213
17 HB21 AIB 3 HB21 AIB 3 -3.964 2.385 -3.967
18 HB22 AIB 3 HB22 AIB 3 -3.153 3.936 -3.748
19 HB23 AIB 3 HB23 AIB 3 -4.576 3.541 -2.784
20 H AIB 4 H AIB 4 -0.893 2.296 -0.518
21 HB11 AIB 4 HB11 AIB 4 1.543 3.309 0.525
22 HB12 AIB 4 HB12 AIB 4 0.229 2.517 1.396
23 HB13 AIB 4 HB13 AIB 4 0.863 4.060 1.969
24 HB21 AIB 4 HB21 AIB 4 -0.793 5.495 1.892
25 HB22 AIB 4 HB22 AIB 4 -2.033 4.278 1.591
26 HB23 AIB 4 HB23 AIB 4 -1.902 5.685 0.535
27 H AIB 5 H AIB 5 0.744 3.725 -1.988
28 HB11 AIB 5 HB11 AIB 5 3.003 4.645 -4.100
29 HB12 AIB 5 HB12 AIB 5 1.491 5.127 -4.869
30 HB13 AIB 5 HB13 AIB 5 1.547 3.677 -3.868
31 HB21 AIB 5 HB21 AIB 5 2.594 6.788 -1.378
32 HB22 AIB 5 HB22 AIB 5 3.473 6.493 -2.879
33 HB23 AIB 5 HB23 AIB 5 3.379 5.232 -1.649
34 H DIV 6 H DIV 6 -0.953 5.562 -2.958
35 HB11 DIV 6 HB11 DIV 6 -0.490 8.363 -5.213
36 HB12 DIV 6 HB12 DIV 6 -2.227 8.426 -5.397
37 HG11 DIV 6 HG11 DIV 6 -1.978 5.806 -5.537
38 HG12 DIV 6 HG12 DIV 6 -0.338 6.229 -6.029
39 HG13 DIV 6 HG13 DIV 6 -1.718 6.837 -6.944
40 HB21 DIV 6 HB21 DIV 6 -3.082 5.964 -3.671
41 HB22 DIV 6 HB22 DIV 6 -3.693 7.605 -3.879
42 HB23 DIV 6 HB23 DIV 6 -3.210 7.040 -2.280
43 H GLY 7 H GLY 7 -0.733 7.636 -1.202
44 HA2 GLY 7 HA2 GLY 7 -1.532 10.173 -0.421
45 HA3 GLY 7 HA3 GLY 7 -0.163 9.310 0.263
46 H LEU 8 H LEU 8 1.319 9.217 -2.236
47 HA LEU 8 HA LEU 8 2.591 11.778 -2.031
48 HB2 LEU 8 HB2 LEU 8 3.103 9.225 -3.444
49 HB3 LEU 8 HB3 LEU 8 3.828 10.678 -4.129
50 HG LEU 8 HG LEU 8 4.712 11.030 -1.691
51 HD11 LEU 8 HD11 LEU 8 5.060 9.067 -0.423
52 HD12 LEU 8 HD12 LEU 8 4.475 8.032 -1.725
53 HD13 LEU 8 HD13 LEU 8 3.350 9.076 -0.855
54 HD21 LEU 8 HD21 LEU 8 5.722 9.297 -3.884
55 HD22 LEU 8 HD22 LEU 8 6.597 9.301 -2.353
56 HD23 LEU 8 HD23 LEU 8 6.370 10.807 -3.243
57 H AIB 9 H AIB 9 0.207 10.365 -4.077
58 HB11 AIB 9 HB11 AIB 9 -0.316 9.905 -6.584
59 HB12 AIB 9 HB12 AIB 9 -1.413 11.142 -7.201
60 HB13 AIB 9 HB13 AIB 9 -1.746 10.358 -5.656
61 HB21 AIB 9 HB21 AIB 9 1.775 11.839 -6.509
62 HB22 AIB 9 HB22 AIB 9 1.046 13.429 -6.280
63 HB23 AIB 9 HB23 AIB 9 0.461 12.367 -7.561
64 H AIB 10 H AIB 10 -0.973 12.187 -3.224
65 HB11 AIB 10 HB11 AIB 10 -3.387 13.583 -1.388
66 HB12 AIB 10 HB12 AIB 10 -1.851 14.420 -1.158
67 HB13 AIB 10 HB13 AIB 10 -1.873 12.680 -1.446
68 HB21 AIB 10 HB21 AIB 10 -3.598 14.014 -4.853
69 HB22 AIB 10 HB22 AIB 10 -4.324 14.424 -3.299
70 HB23 AIB 10 HB23 AIB 10 -4.004 12.738 -3.705
71 HA HYP 11 HA HYP 11 -0.193 17.531 -2.584
72 HB2 HYP 11 HB2 HYP 11 2.285 16.281 -3.648
73 HB3 HYP 11 HB3 HYP 11 2.066 17.332 -2.243
74 HG HYP 11 HG HYP 11 2.258 14.529 -2.240
75 HD22 HYP 11 HD22 HYP 11 0.636 13.660 -3.075
76 HD23 HYP 11 HD23 HYP 11 -0.012 14.119 -1.488
77 HD1 HYP 11 HD1 HYP 11 1.191 15.199 0.036
78 H GLN 12 H GLN 12 -0.224 15.402 -5.303
79 HA GLN 12 HA GLN 12 0.573 17.466 -7.185
80 HB2 GLN 12 HB2 GLN 12 -0.132 14.557 -7.427
81 HB3 GLN 12 HB3 GLN 12 -0.054 15.581 -8.855
82 HG2 GLN 12 HG2 GLN 12 2.210 15.264 -6.903
83 HG3 GLN 12 HG3 GLN 12 2.022 14.291 -8.360
84 HE21 GLN 12 HE21 GLN 12 3.280 17.109 -7.055
85 HE22 GLN 12 HE22 GLN 12 3.700 17.911 -8.527
86 H DIV 13 H DIV 13 -2.279 16.311 -5.737
87 HB11 DIV 13 HB11 DIV 13 -4.129 17.247 -8.952
88 HB12 DIV 13 HB12 DIV 13 -5.387 16.365 -8.119
89 HG11 DIV 13 HG11 DIV 13 -4.221 14.692 -9.193
90 HG12 DIV 13 HG12 DIV 13 -3.510 14.664 -7.579
91 HG13 DIV 13 HG13 DIV 13 -2.657 15.454 -8.905
92 HB21 DIV 13 HB21 DIV 13 -5.003 17.459 -5.028
93 HB22 DIV 13 HB22 DIV 13 -4.252 15.868 -5.164
94 HB23 DIV 13 HB23 DIV 13 -5.684 16.253 -6.120
95 HA HYP 14 HA HYP 14 -4.443 21.231 -6.158
96 HB2 HYP 14 HB2 HYP 14 -2.715 22.017 -4.203
97 HB3 HYP 14 HB3 HYP 14 -4.284 21.274 -3.871
98 HG HYP 14 HG HYP 14 -1.568 20.103 -3.752
99 HD22 HYP 14 HD22 HYP 14 -1.850 18.338 -4.999
100 HD23 HYP 14 HD23 HYP 14 -3.431 18.041 -4.248
101 HD1 HYP 14 HD1 HYP 14 -4.080 19.657 -2.473
102 H AIB 15 H AIB 15 -1.606 19.678 -7.050
103 HB11 AIB 15 HB11 AIB 15 0.254 19.924 -9.633
104 HB12 AIB 15 HB12 AIB 15 0.004 19.024 -8.137
105 HB13 AIB 15 HB13 AIB 15 1.437 20.033 -8.329
106 HB21 AIB 15 HB21 AIB 15 0.960 21.307 -6.305
107 HB22 AIB 15 HB22 AIB 15 0.022 22.761 -6.645
108 HB23 AIB 15 HB23 AIB 15 1.381 22.325 -7.681
109 HA PRO 16 HA PRO 16 -1.619 22.653 -11.663
110 HB2 PRO 16 HB2 PRO 16 -3.935 21.418 -12.344
111 HB3 PRO 16 HB3 PRO 16 -2.345 20.710 -12.654
112 HG2 PRO 16 HG2 PRO 16 -4.296 20.111 -10.475
113 HG3 PRO 16 HG3 PRO 16 -3.252 19.003 -11.385
114 HD2 PRO 16 HD2 PRO 16 -2.738 19.888 -8.867
115 HD3 PRO 16 HD3 PRO 16 -1.483 19.352 -10.002
116 H PHL 17 H PHL 17 -3.379 22.460 -8.762
117 HA PHL 17 HA PHL 17 -5.169 24.636 -9.619
118 HC1 PHL 17 HC1 PHL 17 -4.252 24.583 -6.795
119 HC2 PHL 17 HC2 PHL 17 -3.086 25.106 -8.013
120 HO PHL 17 HO PHL 17 -4.082 26.967 -7.741
121 HB2 PHL 17 HB2 PHL 17 -5.528 22.352 -7.741
122 HB3 PHL 17 HB3 PHL 17 -6.332 23.868 -7.346
123 HD1 PHL 17 HD1 PHL 17 -6.001 21.268 -9.956
124 HD2 PHL 17 HD2 PHL 17 -8.301 24.514 -8.443
125 HE1 PHL 17 HE1 PHL 17 -7.821 20.700 -11.512
126 HE2 PHL 17 HE2 PHL 17 -10.124 23.951 -9.996
127 HZ PHL 17 HZ PHL 17 -9.886 22.041 -11.532
Start of MODEL 18
1 H1 ACE 1 H1 ACE 1 1.712 0.098 -0.271
2 H2 ACE 1 H2 ACE 1 3.273 0.201 -1.084
3 H3 ACE 1 H3 ACE 1 2.111 -1.038 -1.560
4 H PHE 2 H PHE 2 0.695 -0.583 -3.150
5 HA PHE 2 HA PHE 2 1.000 1.743 -4.709
6 HB2 PHE 2 HB2 PHE 2 0.144 -0.553 -5.444
7 HB3 PHE 2 HB3 PHE 2 -1.414 -0.062 -4.786
8 HD1 PHE 2 HD1 PHE 2 -2.411 2.136 -5.681
9 HD2 PHE 2 HD2 PHE 2 0.708 -0.014 -7.622
10 HE1 PHE 2 HE1 PHE 2 -2.948 3.273 -7.797
11 HE2 PHE 2 HE2 PHE 2 0.176 1.119 -9.740
12 HZ PHE 2 HZ PHE 2 -1.653 2.766 -9.829
13 H AIB 3 H AIB 3 -1.744 0.691 -2.690
14 HB11 AIB 3 HB11 AIB 3 -3.585 0.622 -1.602
15 HB12 AIB 3 HB12 AIB 3 -4.588 2.025 -1.233
16 HB13 AIB 3 HB13 AIB 3 -3.157 1.683 -0.259
17 HB21 AIB 3 HB21 AIB 3 -3.054 3.809 -3.858
18 HB22 AIB 3 HB22 AIB 3 -4.448 3.633 -2.791
19 HB23 AIB 3 HB23 AIB 3 -4.018 2.333 -3.902
20 H AIB 4 H AIB 4 -0.838 2.276 -0.529
21 HB11 AIB 4 HB11 AIB 4 1.572 3.263 0.512
22 HB12 AIB 4 HB12 AIB 4 0.260 2.516 1.424
23 HB13 AIB 4 HB13 AIB 4 0.931 4.061 1.948
24 HB21 AIB 4 HB21 AIB 4 -1.996 4.243 1.585
25 HB22 AIB 4 HB22 AIB 4 -1.874 5.653 0.532
26 HB23 AIB 4 HB23 AIB 4 -0.766 5.469 1.892
27 H AIB 5 H AIB 5 0.793 3.721 -1.989
28 HB11 AIB 5 HB11 AIB 5 1.604 3.684 -3.866
29 HB12 AIB 5 HB12 AIB 5 3.054 4.662 -4.090
30 HB13 AIB 5 HB13 AIB 5 1.542 5.138 -4.863
31 HB21 AIB 5 HB21 AIB 5 2.628 6.851 -1.422
32 HB22 AIB 5 HB22 AIB 5 3.544 6.435 -2.870
33 HB23 AIB 5 HB23 AIB 5 3.376 5.260 -1.566
34 H DIV 6 H DIV 6 -0.912 5.550 -2.958
35 HB11 DIV 6 HB11 DIV 6 -0.460 8.361 -5.202
36 HB12 DIV 6 HB12 DIV 6 -2.197 8.414 -5.391
37 HG11 DIV 6 HG11 DIV 6 -1.252 6.888 -6.989
38 HG12 DIV 6 HG12 DIV 6 -2.202 5.982 -5.811
39 HG13 DIV 6 HG13 DIV 6 -0.441 5.991 -5.706
40 HB21 DIV 6 HB21 DIV 6 -3.064 5.969 -3.748
41 HB22 DIV 6 HB22 DIV 6 -3.668 7.625 -3.815
42 HB23 DIV 6 HB23 DIV 6 -3.153 6.936 -2.275
43 H GLY 7 H GLY 7 -0.711 7.619 -1.194
44 HA2 GLY 7 HA2 GLY 7 -1.529 10.148 -0.407
45 HA3 GLY 7 HA3 GLY 7 -0.156 9.292 0.278
46 H LEU 8 H LEU 8 1.334 9.217 -2.216
47 HA LEU 8 HA LEU 8 2.589 11.785 -1.999
48 HB2 LEU 8 HB2 LEU 8 3.121 9.241 -3.418
49 HB3 LEU 8 HB3 LEU 8 3.839 10.701 -4.096
50 HG LEU 8 HG LEU 8 4.713 11.050 -1.654
51 HD11 LEU 8 HD11 LEU 8 3.363 9.086 -0.829
52 HD12 LEU 8 HD12 LEU 8 5.071 9.085 -0.391
53 HD13 LEU 8 HD13 LEU 8 4.496 8.051 -1.698
54 HD21 LEU 8 HD21 LEU 8 6.369 10.843 -3.216
55 HD22 LEU 8 HD22 LEU 8 5.744 9.318 -3.843
56 HD23 LEU 8 HD23 LEU 8 6.617 9.350 -2.310
57 H AIB 9 H AIB 9 0.221 10.363 -4.057
58 HB11 AIB 9 HB11 AIB 9 -1.741 10.365 -5.651
59 HB12 AIB 9 HB12 AIB 9 -0.295 9.899 -6.548
60 HB13 AIB 9 HB13 AIB 9 -1.376 11.134 -7.195
61 HB21 AIB 9 HB21 AIB 9 1.787 11.856 -6.480
62 HB22 AIB 9 HB22 AIB 9 1.047 13.440 -6.247
63 HB23 AIB 9 HB23 AIB 9 0.473 12.379 -7.533
64 H AIB 10 H AIB 10 -0.974 12.174 -3.202
65 HB11 AIB 10 HB11 AIB 10 -1.874 14.395 -1.131
66 HB12 AIB 10 HB12 AIB 10 -1.883 12.656 -1.425
67 HB13 AIB 10 HB13 AIB 10 -3.403 13.548 -1.370
68 HB21 AIB 10 HB21 AIB 10 -3.606 13.990 -4.833
69 HB22 AIB 10 HB22 AIB 10 -4.340 14.390 -3.280
70 HB23 AIB 10 HB23 AIB 10 -4.007 12.707 -3.691
71 HA HYP 11 HA HYP 11 -0.231 17.521 -2.541
72 HB2 HYP 11 HB2 HYP 11 2.258 16.292 -3.601
73 HB3 HYP 11 HB3 HYP 11 2.027 17.336 -2.193
74 HG HYP 11 HG HYP 11 2.219 14.525 -2.215
75 HD22 HYP 11 HD22 HYP 11 0.624 13.657 -3.043
76 HD23 HYP 11 HD23 HYP 11 -0.032 14.107 -1.456
77 HD1 HYP 11 HD1 HYP 11 1.058 15.464 0.047
78 H GLN 12 H GLN 12 -0.239 15.402 -5.267
79 HA GLN 12 HA GLN 12 0.550 17.477 -7.140
80 HB2 GLN 12 HB2 GLN 12 -0.135 14.565 -7.394
81 HB3 GLN 12 HB3 GLN 12 -0.059 15.594 -8.818
82 HG2 GLN 12 HG2 GLN 12 2.223 15.480 -6.890
83 HG3 GLN 12 HG3 GLN 12 2.022 14.248 -8.135
84 HE21 GLN 12 HE21 GLN 12 2.522 17.663 -7.547
85 HE22 GLN 12 HE22 GLN 12 3.186 18.029 -9.099
86 H DIV 13 H DIV 13 -2.300 16.299 -5.705
87 HB11 DIV 13 HB11 DIV 13 -4.145 17.234 -8.923
88 HB12 DIV 13 HB12 DIV 13 -5.399 16.341 -8.098
89 HG11 DIV 13 HG11 DIV 13 -4.219 14.679 -9.173
90 HG12 DIV 13 HG12 DIV 13 -3.513 14.650 -7.557
91 HG13 DIV 13 HG13 DIV 13 -2.661 15.451 -8.877
92 HB21 DIV 13 HB21 DIV 13 -4.271 15.841 -5.140
93 HB22 DIV 13 HB22 DIV 13 -5.702 16.219 -6.100
94 HB23 DIV 13 HB23 DIV 13 -5.033 17.426 -5.001
95 HA HYP 14 HA HYP 14 -4.494 21.205 -6.116
96 HB2 HYP 14 HB2 HYP 14 -2.777 21.996 -4.153
97 HB3 HYP 14 HB3 HYP 14 -4.342 21.241 -3.829
98 HG HYP 14 HG HYP 14 -1.619 19.996 -3.911
99 HD22 HYP 14 HD22 HYP 14 -1.886 18.326 -4.959
100 HD23 HYP 14 HD23 HYP 14 -3.467 18.016 -4.214
101 HD1 HYP 14 HD1 HYP 14 -3.013 20.600 -1.929
102 H AIB 15 H AIB 15 -1.644 19.674 -7.004
103 HB11 AIB 15 HB11 AIB 15 1.401 20.054 -8.273
104 HB12 AIB 15 HB12 AIB 15 0.222 19.942 -9.580
105 HB13 AIB 15 HB13 AIB 15 -0.026 19.035 -8.088
106 HB21 AIB 15 HB21 AIB 15 -0.043 22.750 -6.561
107 HB22 AIB 15 HB22 AIB 15 1.313 22.365 -7.621
108 HB23 AIB 15 HB23 AIB 15 0.930 21.311 -6.261
109 HA PRO 16 HA PRO 16 -1.661 22.666 -11.606
110 HB2 PRO 16 HB2 PRO 16 -3.967 21.418 -12.300
111 HB3 PRO 16 HB3 PRO 16 -2.371 20.722 -12.607
112 HG2 PRO 16 HG2 PRO 16 -4.325 20.102 -10.437
113 HG3 PRO 16 HG3 PRO 16 -3.270 19.005 -11.347
114 HD2 PRO 16 HD2 PRO 16 -2.771 19.884 -8.824
115 HD3 PRO 16 HD3 PRO 16 -1.509 19.360 -9.957
116 H PHL 17 H PHL 17 -3.430 22.449 -8.712
117 HA PHL 17 HA PHL 17 -5.149 24.694 -9.545
118 HC1 PHL 17 HC1 PHL 17 -4.841 25.760 -7.486
119 HC2 PHL 17 HC2 PHL 17 -4.251 24.288 -6.708
120 HO PHL 17 HO PHL 17 -2.801 25.394 -8.857
121 HB2 PHL 17 HB2 PHL 17 -5.724 22.280 -7.901
122 HB3 PHL 17 HB3 PHL 17 -6.497 23.789 -7.424
123 HD1 PHL 17 HD1 PHL 17 -8.347 24.630 -8.599
124 HD2 PHL 17 HD2 PHL 17 -6.096 21.400 -10.216
125 HE1 PHL 17 HE1 PHL 17 -10.079 24.285 -10.311
126 HE2 PHL 17 HE2 PHL 17 -7.824 21.050 -11.932
127 HZ PHL 17 HZ PHL 17 -9.818 22.494 -11.982
Start of MODEL 19
1 H1 ACE 1 H1 ACE 1 2.818 0.555 -0.583
2 H2 ACE 1 H2 ACE 1 2.731 -0.758 -1.756
3 H3 ACE 1 H3 ACE 1 1.371 -0.449 -0.676
4 H PHE 2 H PHE 2 0.625 -0.550 -3.175
5 HA PHE 2 HA PHE 2 0.932 1.772 -4.740
6 HB2 PHE 2 HB2 PHE 2 0.063 -0.521 -5.467
7 HB3 PHE 2 HB3 PHE 2 -1.489 -0.023 -4.802
8 HD1 PHE 2 HD2 PHE 2 1.089 0.873 -7.306
9 HD2 PHE 2 HD1 PHE 2 -2.950 1.316 -6.038
10 HE1 PHE 2 HE2 PHE 2 0.552 2.007 -9.423
11 HE2 PHE 2 HE1 PHE 2 -3.494 2.450 -8.153
12 HZ PHE 2 HZ PHE 2 -1.741 2.798 -9.848
13 H AIB 3 H AIB 3 -1.807 0.734 -2.706
14 HB11 AIB 3 HB11 AIB 3 -4.556 2.209 -1.050
15 HB12 AIB 3 HB12 AIB 3 -3.086 1.538 -0.342
16 HB13 AIB 3 HB13 AIB 3 -3.841 0.744 -1.724
17 HB21 AIB 3 HB21 AIB 3 -3.985 2.401 -3.979
18 HB22 AIB 3 HB22 AIB 3 -3.143 3.940 -3.795
19 HB23 AIB 3 HB23 AIB 3 -4.559 3.586 -2.806
20 H AIB 4 H AIB 4 -0.884 2.319 -0.551
21 HB11 AIB 4 HB11 AIB 4 0.905 4.100 1.914
22 HB12 AIB 4 HB12 AIB 4 1.534 3.296 0.476
23 HB13 AIB 4 HB13 AIB 4 0.224 2.557 1.397
24 HB21 AIB 4 HB21 AIB 4 -0.787 5.515 1.865
25 HB22 AIB 4 HB22 AIB 4 -2.024 4.293 1.565
26 HB23 AIB 4 HB23 AIB 4 -1.901 5.701 0.510
27 H AIB 5 H AIB 5 0.747 3.755 -2.021
28 HB11 AIB 5 HB11 AIB 5 3.001 4.684 -4.134
29 HB12 AIB 5 HB12 AIB 5 1.487 5.164 -4.900
30 HB13 AIB 5 HB13 AIB 5 1.548 3.712 -3.902
31 HB21 AIB 5 HB21 AIB 5 2.649 7.046 -1.711
32 HB22 AIB 5 HB22 AIB 5 3.614 6.177 -2.904
33 HB23 AIB 5 HB23 AIB 5 3.176 5.395 -1.385
34 H DIV 6 H DIV 6 -0.956 5.589 -2.985
35 HB11 DIV 6 HB11 DIV 6 -0.503 8.396 -5.234
36 HB12 DIV 6 HB12 DIV 6 -2.240 8.456 -5.415
37 HG11 DIV 6 HG11 DIV 6 -0.502 6.018 -5.727
38 HG12 DIV 6 HG12 DIV 6 -1.296 6.924 -7.015
39 HG13 DIV 6 HG13 DIV 6 -2.262 6.029 -5.842
40 HB21 DIV 6 HB21 DIV 6 -3.705 7.647 -3.871
41 HB22 DIV 6 HB22 DIV 6 -3.204 7.031 -2.296
42 HB23 DIV 6 HB23 DIV 6 -3.095 5.999 -3.722
43 H GLY 7 H GLY 7 -0.737 7.660 -1.224
44 HA2 GLY 7 HA2 GLY 7 -1.542 10.193 -0.437
45 HA3 GLY 7 HA3 GLY 7 -0.169 9.332 0.243
46 H LEU 8 H LEU 8 1.309 9.248 -2.258
47 HA LEU 8 HA LEU 8 2.575 11.812 -2.051
48 HB2 LEU 8 HB2 LEU 8 3.090 9.263 -3.469
49 HB3 LEU 8 HB3 LEU 8 3.811 10.720 -4.152
50 HG LEU 8 HG LEU 8 4.698 11.068 -1.715
51 HD11 LEU 8 HD11 LEU 8 3.344 9.111 -0.880
52 HD12 LEU 8 HD12 LEU 8 5.054 9.104 -0.451
53 HD13 LEU 8 HD13 LEU 8 4.468 8.070 -1.755
54 HD21 LEU 8 HD21 LEU 8 6.593 9.361 -2.377
55 HD22 LEU 8 HD22 LEU 8 6.346 10.853 -3.285
56 HD23 LEU 8 HD23 LEU 8 5.712 9.328 -3.905
57 H AIB 9 H AIB 9 0.192 10.397 -4.096
58 HB11 AIB 9 HB11 AIB 9 -0.335 9.938 -6.597
59 HB12 AIB 9 HB12 AIB 9 -1.428 11.174 -7.219
60 HB13 AIB 9 HB13 AIB 9 -1.768 10.393 -5.675
61 HB21 AIB 9 HB21 AIB 9 1.019 13.468 -6.293
62 HB22 AIB 9 HB22 AIB 9 0.435 12.408 -7.575
63 HB23 AIB 9 HB23 AIB 9 1.752 11.881 -6.527
64 H AIB 10 H AIB 10 -0.992 12.213 -3.237
65 HB11 AIB 10 HB11 AIB 10 -1.892 12.699 -1.457
66 HB12 AIB 10 HB12 AIB 10 -3.408 13.598 -1.395
67 HB13 AIB 10 HB13 AIB 10 -1.875 14.438 -1.164
68 HB21 AIB 10 HB21 AIB 10 -3.625 14.036 -4.858
69 HB22 AIB 10 HB22 AIB 10 -4.350 14.441 -3.302
70 HB23 AIB 10 HB23 AIB 10 -4.026 12.756 -3.712
71 HA HYP 11 HA HYP 11 -0.227 17.557 -2.585
72 HB2 HYP 11 HB2 HYP 11 2.253 16.318 -3.655
73 HB3 HYP 11 HB3 HYP 11 2.032 17.364 -2.247
74 HG HYP 11 HG HYP 11 2.218 14.554 -2.265
75 HD22 HYP 11 HD22 HYP 11 0.612 13.690 -3.087
76 HD23 HYP 11 HD23 HYP 11 -0.035 14.143 -1.497
77 HD1 HYP 11 HD1 HYP 11 1.712 14.870 0.006
78 H GLN 12 H GLN 12 -0.255 15.436 -5.309
79 HA GLN 12 HA GLN 12 0.533 17.506 -7.187
80 HB2 GLN 12 HB2 GLN 12 -0.164 14.596 -7.436
81 HB3 GLN 12 HB3 GLN 12 -0.091 15.624 -8.861
82 HG2 GLN 12 HG2 GLN 12 2.158 15.167 -6.913
83 HG3 GLN 12 HG3 GLN 12 1.993 14.409 -8.496
84 HE21 GLN 12 HE21 GLN 12 3.509 16.798 -6.875
85 HE22 GLN 12 HE22 GLN 12 3.848 17.879 -8.179
86 H DIV 13 H DIV 13 -2.314 16.339 -5.738
87 HB11 DIV 13 HB11 DIV 13 -4.171 17.278 -8.949
88 HB12 DIV 13 HB12 DIV 13 -5.425 16.390 -8.116
89 HG11 DIV 13 HG11 DIV 13 -4.255 14.724 -9.196
90 HG12 DIV 13 HG12 DIV 13 -3.543 14.693 -7.583
91 HG13 DIV 13 HG13 DIV 13 -2.693 15.489 -8.907
92 HB21 DIV 13 HB21 DIV 13 -5.719 16.272 -6.117
93 HB22 DIV 13 HB22 DIV 13 -5.040 17.477 -5.022
94 HB23 DIV 13 HB23 DIV 13 -4.285 15.890 -5.164
95 HA HYP 14 HA HYP 14 -4.492 21.254 -6.144
96 HB2 HYP 14 HB2 HYP 14 -2.764 22.041 -4.190
97 HB3 HYP 14 HB3 HYP 14 -4.330 21.291 -3.857
98 HG HYP 14 HG HYP 14 -1.632 20.177 -3.611
99 HD22 HYP 14 HD22 HYP 14 -1.889 18.366 -4.996
100 HD23 HYP 14 HD23 HYP 14 -3.469 18.063 -4.243
101 HD1 HYP 14 HD1 HYP 14 -3.603 20.263 -2.069
102 H AIB 15 H AIB 15 -1.651 19.711 -7.043
103 HB11 AIB 15 HB11 AIB 15 -0.042 19.065 -8.134
104 HB12 AIB 15 HB12 AIB 15 1.388 20.079 -8.327
105 HB13 AIB 15 HB13 AIB 15 0.203 19.969 -9.629
106 HB21 AIB 15 HB21 AIB 15 0.897 21.350 -6.288
107 HB22 AIB 15 HB22 AIB 15 -0.028 22.808 -6.646
108 HB23 AIB 15 HB23 AIB 15 1.336 22.354 -7.669
109 HA PRO 16 HA PRO 16 -1.680 22.698 -11.649
110 HB2 PRO 16 HB2 PRO 16 -3.995 21.459 -12.329
111 HB3 PRO 16 HB3 PRO 16 -2.404 20.756 -12.644
112 HG2 PRO 16 HG2 PRO 16 -4.348 20.146 -10.463
113 HG3 PRO 16 HG3 PRO 16 -3.303 19.044 -11.378
114 HD2 PRO 16 HD2 PRO 16 -2.787 19.924 -8.858
115 HD3 PRO 16 HD3 PRO 16 -1.532 19.393 -9.997
116 H PHL 17 H PHL 17 -3.438 22.490 -8.746
117 HA PHL 17 HA PHL 17 -5.249 24.651 -9.598
118 HC1 PHL 17 HC1 PHL 17 -4.672 26.006 -7.862
119 HC2 PHL 17 HC2 PHL 17 -4.318 24.652 -6.784
120 HO PHL 17 HO PHL 17 -2.294 25.001 -7.252
121 HB2 PHL 17 HB2 PHL 17 -5.532 22.496 -7.518
122 HB3 PHL 17 HB3 PHL 17 -6.506 23.962 -7.445
123 HD1 PHL 17 HD1 PHL 17 -6.309 20.686 -8.705
124 HD2 PHL 17 HD2 PHL 17 -7.787 24.567 -9.639
125 HE1 PHL 17 HE1 PHL 17 -7.911 19.692 -10.286
126 HE2 PHL 17 HE2 PHL 17 -9.392 23.579 -11.220
127 HZ PHL 17 HZ PHL 17 -9.456 21.138 -11.545
Start of MODEL 20
1 H1 ACE 1 H1 ACE 1 3.152 -0.146 -1.309
2 H2 ACE 1 H2 ACE 1 1.637 -1.048 -1.312
3 H3 ACE 1 H3 ACE 1 1.868 0.283 -0.178
4 H PHE 2 H PHE 2 0.601 -0.606 -3.157
5 HA PHE 2 HA PHE 2 0.936 1.727 -4.685
6 HB2 PHE 2 HB2 PHE 2 0.041 -0.550 -5.436
7 HB3 PHE 2 HB3 PHE 2 -1.511 -0.030 -4.787
8 HD1 PHE 2 HD2 PHE 2 1.173 1.258 -7.039
9 HD2 PHE 2 HD1 PHE 2 -2.995 0.920 -6.249
10 HE1 PHE 2 HE2 PHE 2 0.682 2.413 -9.155
11 HE2 PHE 2 HE1 PHE 2 -3.494 2.074 -8.364
12 HZ PHE 2 HZ PHE 2 -1.654 2.823 -9.819
13 H AIB 3 H AIB 3 -1.827 0.715 -2.673
14 HB11 AIB 3 HB11 AIB 3 -4.299 2.343 -0.670
15 HB12 AIB 3 HB12 AIB 3 -3.003 1.152 -0.555
16 HB13 AIB 3 HB13 AIB 3 -4.235 0.997 -1.807
17 HB21 AIB 3 HB21 AIB 3 -4.093 2.384 -3.871
18 HB22 AIB 3 HB22 AIB 3 -3.092 3.836 -3.853
19 HB23 AIB 3 HB23 AIB 3 -4.480 3.708 -2.772
20 H AIB 4 H AIB 4 -0.888 2.293 -0.522
21 HB11 AIB 4 HB11 AIB 4 0.903 4.048 1.954
22 HB12 AIB 4 HB12 AIB 4 1.546 3.269 0.508
23 HB13 AIB 4 HB13 AIB 4 0.232 2.510 1.409
24 HB21 AIB 4 HB21 AIB 4 -2.010 4.267 1.603
25 HB22 AIB 4 HB22 AIB 4 -1.884 5.676 0.550
26 HB23 AIB 4 HB23 AIB 4 -0.767 5.482 1.901
27 H AIB 5 H AIB 5 0.739 3.726 -1.997
28 HB11 AIB 5 HB11 AIB 5 2.261 3.702 -3.679
29 HB12 AIB 5 HB12 AIB 5 2.728 5.172 -4.536
30 HB13 AIB 5 HB13 AIB 5 1.066 4.587 -4.628
31 HB21 AIB 5 HB21 AIB 5 2.620 6.938 -1.553
32 HB22 AIB 5 HB22 AIB 5 3.569 6.285 -2.889
33 HB23 AIB 5 HB23 AIB 5 3.261 5.297 -1.461
34 H DIV 6 H DIV 6 -0.951 5.560 -2.956
35 HB11 DIV 6 HB11 DIV 6 -0.493 8.364 -5.208
36 HB12 DIV 6 HB12 DIV 6 -2.230 8.426 -5.391
37 HG11 DIV 6 HG11 DIV 6 -1.727 6.837 -6.938
38 HG12 DIV 6 HG12 DIV 6 -1.972 5.804 -5.530
39 HG13 DIV 6 HG13 DIV 6 -0.338 6.236 -6.033
40 HB21 DIV 6 HB21 DIV 6 -3.679 7.501 -3.986
41 HB22 DIV 6 HB22 DIV 6 -3.263 7.174 -2.303
42 HB23 DIV 6 HB23 DIV 6 -3.042 5.922 -3.526
43 H GLY 7 H GLY 7 -0.730 7.632 -1.198
44 HA2 GLY 7 HA2 GLY 7 -1.533 10.167 -0.413
45 HA3 GLY 7 HA3 GLY 7 -0.161 9.306 0.268
46 H LEU 8 H LEU 8 1.317 9.219 -2.233
47 HA LEU 8 HA LEU 8 2.585 11.781 -2.027
48 HB2 LEU 8 HB2 LEU 8 3.099 9.232 -3.443
49 HB3 LEU 8 HB3 LEU 8 3.821 10.687 -4.128
50 HG LEU 8 HG LEU 8 4.707 11.037 -1.690
51 HD11 LEU 8 HD11 LEU 8 5.064 9.071 -0.427
52 HD12 LEU 8 HD12 LEU 8 4.472 8.039 -1.729
53 HD13 LEU 8 HD13 LEU 8 3.352 9.082 -0.853
54 HD21 LEU 8 HD21 LEU 8 6.355 10.819 -3.260
55 HD22 LEU 8 HD22 LEU 8 5.720 9.295 -3.880
56 HD23 LEU 8 HD23 LEU 8 6.601 9.327 -2.352
57 H AIB 9 H AIB 9 0.201 10.366 -4.072
58 HB11 AIB 9 HB11 AIB 9 -1.428 11.146 -7.189
59 HB12 AIB 9 HB12 AIB 9 -1.750 10.354 -5.646
60 HB13 AIB 9 HB13 AIB 9 -0.323 9.912 -6.584
61 HB21 AIB 9 HB21 AIB 9 1.032 13.435 -6.271
62 HB22 AIB 9 HB22 AIB 9 0.447 12.374 -7.553
63 HB23 AIB 9 HB23 AIB 9 1.763 11.847 -6.504
64 H AIB 10 H AIB 10 -0.981 12.184 -3.215
65 HB11 AIB 10 HB11 AIB 10 -3.396 13.573 -1.374
66 HB12 AIB 10 HB12 AIB 10 -1.862 14.413 -1.144
67 HB13 AIB 10 HB13 AIB 10 -1.880 12.673 -1.435
68 HB21 AIB 10 HB21 AIB 10 -4.338 14.415 -3.283
69 HB22 AIB 10 HB22 AIB 10 -4.014 12.730 -3.692
70 HB23 AIB 10 HB23 AIB 10 -3.612 14.009 -4.838
71 HA HYP 11 HA HYP 11 -0.212 17.529 -2.568
72 HB2 HYP 11 HB2 HYP 11 2.267 16.286 -3.637
73 HB3 HYP 11 HB3 HYP 11 2.047 17.334 -2.230
74 HG HYP 11 HG HYP 11 2.227 14.522 -2.247
75 HD22 HYP 11 HD22 HYP 11 0.624 13.661 -3.066
76 HD23 HYP 11 HD23 HYP 11 -0.023 14.116 -1.477
77 HD1 HYP 11 HD1 HYP 11 1.085 16.008 -0.113
78 H GLN 12 H GLN 12 -0.242 15.404 -5.290
79 HA GLN 12 HA GLN 12 0.549 17.473 -7.170
80 HB2 GLN 12 HB2 GLN 12 -0.150 14.563 -7.416
81 HB3 GLN 12 HB3 GLN 12 -0.077 15.589 -8.842
82 HG2 GLN 12 HG2 GLN 12 2.199 15.342 -6.899
83 HG3 GLN 12 HG3 GLN 12 2.002 14.275 -8.288
84 HE21 GLN 12 HE21 GLN 12 2.566 17.570 -7.266
85 HE22 GLN 12 HE22 GLN 12 3.236 18.123 -8.759
86 H DIV 13 H DIV 13 -2.300 16.310 -5.720
87 HB11 DIV 13 HB11 DIV 13 -4.155 17.246 -8.932
88 HB12 DIV 13 HB12 DIV 13 -5.410 16.360 -8.099
89 HG11 DIV 13 HG11 DIV 13 -4.242 14.692 -9.177
90 HG12 DIV 13 HG12 DIV 13 -3.529 14.662 -7.563
91 HG13 DIV 13 HG13 DIV 13 -2.679 15.456 -8.889
92 HB21 DIV 13 HB21 DIV 13 -5.704 16.245 -6.099
93 HB22 DIV 13 HB22 DIV 13 -5.024 17.450 -5.006
94 HB23 DIV 13 HB23 DIV 13 -4.271 15.862 -5.146
95 HA HYP 14 HA HYP 14 -4.474 21.225 -6.132
96 HB2 HYP 14 HB2 HYP 14 -2.745 22.013 -4.179
97 HB3 HYP 14 HB3 HYP 14 -4.311 21.265 -3.845
98 HG HYP 14 HG HYP 14 -1.598 20.116 -3.691
99 HD22 HYP 14 HD22 HYP 14 -1.873 18.337 -4.980
100 HD23 HYP 14 HD23 HYP 14 -3.453 18.035 -4.228
101 HD1 HYP 14 HD1 HYP 14 -2.493 19.629 -1.821
102 H AIB 15 H AIB 15 -1.634 19.679 -7.028
103 HB11 AIB 15 HB11 AIB 15 0.220 19.933 -9.614
104 HB12 AIB 15 HB12 AIB 15 -0.025 19.030 -8.119
105 HB13 AIB 15 HB13 AIB 15 1.406 20.043 -8.313
106 HB21 AIB 15 HB21 AIB 15 -0.047 22.513 -6.353
107 HB22 AIB 15 HB22 AIB 15 1.113 22.621 -7.677
108 HB23 AIB 15 HB23 AIB 15 1.198 21.277 -6.537
109 HA PRO 16 HA PRO 16 -1.660 22.662 -11.638
110 HB2 PRO 16 HB2 PRO 16 -3.976 21.424 -12.316
111 HB3 PRO 16 HB3 PRO 16 -2.385 20.719 -12.631
112 HG2 PRO 16 HG2 PRO 16 -4.330 20.114 -10.449
113 HG3 PRO 16 HG3 PRO 16 -3.287 19.009 -11.363
114 HD2 PRO 16 HD2 PRO 16 -2.769 19.891 -8.844
115 HD3 PRO 16 HD3 PRO 16 -1.515 19.358 -9.982
116 H PHL 17 H PHL 17 -3.419 22.457 -8.735
117 HA PHL 17 HA PHL 17 -5.150 24.691 -9.571
118 HC1 PHL 17 HC1 PHL 17 -4.703 25.870 -7.650
119 HC2 PHL 17 HC2 PHL 17 -4.329 24.417 -6.719
120 HO PHL 17 HO PHL 17 -2.438 25.640 -7.176
121 HB2 PHL 17 HB2 PHL 17 -5.663 22.344 -7.793
122 HB3 PHL 17 HB3 PHL 17 -6.491 23.860 -7.452
123 HD1 PHL 17 HD1 PHL 17 -8.483 24.326 -8.515
124 HD2 PHL 17 HD2 PHL 17 -5.828 21.481 -10.238
125 HE1 PHL 17 HE1 PHL 17 -10.174 23.786 -10.220
126 HE2 PHL 17 HE2 PHL 17 -7.513 20.937 -11.946
127 HZ PHL 17 HZ PHL 17 -9.689 22.090 -11.939
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