Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
575278 | 2mns RC | 19902 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 HA2 ACE 0 0.364 -6.934 -1.554
2 H2 ACE 0 HA3 ACE 0 1.089 -8.525 -1.327
3 H3 ACE 0 HA1 ACE 0 1.963 -7.278 -2.215
4 H LEU 1 HN LEU 1 3.228 -8.511 -0.146
5 HA LEU 1 HA LEU 1 2.924 -7.327 2.395
6 HB2 LEU 1 HB2 LEU 1 5.301 -8.601 1.040
7 HB3 LEU 1 HB1 LEU 1 5.310 -8.091 2.726
8 HG LEU 1 HG LEU 1 3.273 -10.009 1.557
9 HD11 LEU 1 HD11 LEU 1 4.580 -11.801 2.599
10 HD12 LEU 1 HD12 LEU 1 5.768 -10.628 3.168
11 HD13 LEU 1 HD13 LEU 1 5.579 -10.925 1.440
12 HD21 LEU 1 HD21 LEU 1 3.244 -10.576 4.161
13 HD22 LEU 1 HD22 LEU 1 2.302 -9.231 3.532
14 HD23 LEU 1 HD23 LEU 1 3.854 -8.928 4.310
15 H GLY 2 HN GLY 2 4.906 -6.447 -0.403
16 HA2 GLY 2 HA2 GLY 2 6.318 -4.325 0.837
17 HA3 GLY 2 HA1 GLY 2 6.105 -4.551 -0.899
18 H LEU 3 HN LEU 3 3.304 -4.520 -0.989
19 HA LEU 3 HA LEU 3 2.828 -1.749 -1.127
20 HB2 LEU 3 HB2 LEU 3 0.891 -4.063 -1.211
21 HB3 LEU 3 HB1 LEU 3 0.474 -2.393 -1.595
22 HG LEU 3 HG LEU 3 2.623 -3.999 -3.010
23 HD11 LEU 3 HD11 LEU 3 0.963 -3.939 -4.914
24 HD12 LEU 3 HD12 LEU 3 -0.237 -3.349 -3.764
25 HD13 LEU 3 HD13 LEU 3 0.478 -4.948 -3.551
26 HD21 LEU 3 HD21 LEU 3 3.258 -1.788 -3.389
27 HD22 LEU 3 HD22 LEU 3 1.612 -1.172 -3.235
28 HD23 LEU 3 HD23 LEU 3 2.111 -2.000 -4.709
29 H LEU 4 HN LEU 4 1.989 -4.204 1.255
30 HA LEU 4 HA LEU 4 0.275 -2.611 2.844
31 HB2 LEU 4 HB2 LEU 4 1.953 -5.050 3.395
32 HB3 LEU 4 HB1 LEU 4 1.035 -4.277 4.683
33 HG LEU 4 HG LEU 4 -0.212 -5.140 2.056
34 HD11 LEU 4 HD11 LEU 4 -0.006 -6.645 4.682
35 HD12 LEU 4 HD12 LEU 4 0.708 -7.118 3.141
36 HD13 LEU 4 HD13 LEU 4 -1.045 -7.119 3.337
37 HD21 LEU 4 HD21 LEU 4 -2.251 -5.200 3.763
38 HD22 LEU 4 HD22 LEU 4 -1.744 -3.674 3.053
39 HD23 LEU 4 HD23 LEU 4 -1.246 -4.090 4.691
40 H SER 5 HN SER 5 3.774 -3.122 2.894
41 HA SER 5 HA SER 5 4.174 -1.457 5.219
42 HB2 SER 5 HB2 SER 5 6.546 -1.828 4.814
43 HB3 SER 5 HB1 SER 5 5.678 -3.353 4.661
44 HG SER 5 HG SER 5 5.570 -2.425 2.297
45 H TYR 6 HN TYR 6 3.364 -0.754 2.116
46 HA TYR 6 HA TYR 6 5.074 1.323 1.319
47 HB2 TYR 6 HB2 TYR 6 3.192 0.188 0.025
48 HB3 TYR 6 HB1 TYR 6 2.090 1.270 0.862
49 HD1 TYR 6 HD2 TYR 6 2.622 3.827 0.719
50 HD2 TYR 6 HD1 TYR 6 4.272 0.871 -1.929
51 HE1 TYR 6 HE2 TYR 6 3.130 5.593 -0.946
52 HE2 TYR 6 HE1 TYR 6 4.769 2.628 -3.589
53 HH TYR 6 HH TYR 6 3.430 5.520 -3.668
54 H GLY 7 HN GLY 7 2.110 1.379 3.277
55 HA2 GLY 7 HA2 GLY 7 2.411 2.992 5.266
56 HA3 GLY 7 HA1 GLY 7 2.628 4.204 4.006
57 H ALA 8 HN ALA 8 0.401 1.498 3.729
58 HA ALA 8 HA ALA 8 -1.791 3.251 3.147
59 HB1 ALA 8 HB1 ALA 8 -3.114 1.114 3.122
60 HB2 ALA 8 HB2 ALA 8 -1.645 0.264 3.603
61 HB3 ALA 8 HB3 ALA 8 -1.710 1.105 2.054
62 H GLY 9 HN GLY 9 -0.412 2.091 6.013
63 HA2 GLY 9 HA2 GLY 9 -1.751 3.467 7.868
64 HA3 GLY 9 HA1 GLY 9 -2.873 2.141 7.581
65 H VAL 10 HN VAL 10 0.660 1.987 7.499
66 HA VAL 10 HA VAL 10 0.799 -0.366 9.047
67 HB VAL 10 HB VAL 10 2.902 1.725 8.475
68 HG11 VAL 10 HG11 VAL 10 3.061 -1.043 9.683
69 HG12 VAL 10 HG12 VAL 10 3.667 0.469 10.360
70 HG13 VAL 10 HG13 VAL 10 4.454 -0.247 8.953
71 HG21 VAL 10 HG21 VAL 10 1.818 0.518 6.524
72 HG22 VAL 10 HG22 VAL 10 2.451 -0.984 7.198
73 HG23 VAL 10 HG23 VAL 10 3.560 0.279 6.664
74 H ALA 11 HN ALA 11 1.359 3.044 9.908
75 HA ALA 11 HA ALA 11 1.588 2.318 12.753
76 HB1 ALA 11 HB1 ALA 11 3.262 3.868 12.044
77 HB2 ALA 11 HB2 ALA 11 2.094 4.790 12.990
78 HB3 ALA 11 HB3 ALA 11 2.071 4.881 11.229
79 H SER 12 HN SER 12 -0.755 3.177 10.529
80 HA SER 12 HA SER 12 -2.399 4.768 12.333
81 HB2 SER 12 HB2 SER 12 -3.826 5.091 10.500
82 HB3 SER 12 HB1 SER 12 -2.229 5.007 9.762
83 HG SER 12 HG SER 12 -4.371 3.326 9.534
84 H LEU 13 HN LEU 13 -1.737 1.516 12.004
85 HA LEU 13 HA LEU 13 -4.465 0.698 12.812
86 HB2 LEU 13 HB2 LEU 13 -2.497 -0.466 11.043
87 HB3 LEU 13 HB1 LEU 13 -2.811 -1.601 12.353
88 HG LEU 13 HG LEU 13 -5.059 -0.277 10.808
89 HD11 LEU 13 HD11 LEU 13 -3.666 -2.912 10.242
90 HD12 LEU 13 HD12 LEU 13 -3.660 -1.489 9.200
91 HD13 LEU 13 HD13 LEU 13 -5.162 -2.371 9.479
92 HD21 LEU 13 HD21 LEU 13 -4.899 -2.867 12.387
93 HD22 LEU 13 HD22 LEU 13 -6.351 -2.157 11.684
94 HD23 LEU 13 HD23 LEU 13 -5.539 -1.352 13.025
95 HA PRO 14 HA PRO 14 -1.484 -1.398 16.088
96 HB2 PRO 14 HB2 PRO 14 0.710 0.641 16.027
97 HB3 PRO 14 HB1 PRO 14 0.810 -1.114 16.265
98 HG2 PRO 14 HG2 PRO 14 1.527 0.016 13.958
99 HG3 PRO 14 HG1 PRO 14 0.715 -1.561 14.004
100 HD2 PRO 14 HD2 PRO 14 -0.408 1.113 13.249
101 HD3 PRO 14 HD1 PRO 14 -0.789 -0.496 12.609
102 H LEU 15 HN LEU 15 -1.094 2.149 15.785
103 HA LEU 15 HA LEU 15 -1.513 2.721 18.523
104 HB2 LEU 15 HB2 LEU 15 -1.854 4.417 16.043
105 HB3 LEU 15 HB1 LEU 15 -1.988 5.052 17.680
106 HG LEU 15 HG LEU 15 0.451 3.573 16.647
107 HD11 LEU 15 HD11 LEU 15 -0.061 6.557 16.853
108 HD12 LEU 15 HD12 LEU 15 0.120 5.634 15.360
109 HD13 LEU 15 HD13 LEU 15 1.491 5.817 16.455
110 HD21 LEU 15 HD21 LEU 15 0.598 3.495 18.985
111 HD22 LEU 15 HD22 LEU 15 -0.246 5.027 19.198
112 HD23 LEU 15 HD23 LEU 15 1.426 5.011 18.647
113 H LEU 16 HN LEU 16 -3.687 2.637 15.739
114 HA LEU 16 HA LEU 16 -5.998 3.559 17.077
115 HB2 LEU 16 HB2 LEU 16 -5.511 1.981 14.564
116 HB3 LEU 16 HB1 LEU 16 -7.156 2.202 15.148
117 HG LEU 16 HG LEU 16 -6.358 3.933 13.468
118 HD11 LEU 16 HD11 LEU 16 -7.617 5.628 14.429
119 HD12 LEU 16 HD12 LEU 16 -6.960 5.368 16.041
120 HD13 LEU 16 HD13 LEU 16 -8.158 4.254 15.386
121 HD21 LEU 16 HD21 LEU 16 -4.769 5.067 15.775
122 HD22 LEU 16 HD22 LEU 16 -4.737 5.553 14.081
123 HD23 LEU 16 HD23 LEU 16 -4.031 4.014 14.569
124 H ASN 17 HN ASN 17 -4.665 0.313 16.609
125 HA ASN 17 HA ASN 17 -6.845 -1.139 17.642
126 HB2 ASN 17 HB2 ASN 17 -5.035 -2.222 16.414
127 HB3 ASN 17 HB1 ASN 17 -3.892 -1.801 17.689
128 HD21 ASN 17 HD21 ASN 17 -6.191 -4.162 16.672
129 HD22 ASN 17 HD22 ASN 17 -6.196 -5.087 18.096
130 H VAL 18 HN VAL 18 -4.013 0.285 19.246
131 HA VAL 18 HA VAL 18 -4.530 -0.774 21.821
132 HB VAL 18 HB VAL 18 -3.056 1.722 20.947
133 HG11 VAL 18 HG11 VAL 18 -3.388 0.435 23.665
134 HG12 VAL 18 HG12 VAL 18 -3.670 2.117 23.219
135 HG13 VAL 18 HG13 VAL 18 -2.024 1.487 23.283
136 HG21 VAL 18 HG21 VAL 18 -2.061 -0.391 20.191
137 HG22 VAL 18 HG22 VAL 18 -2.145 -1.037 21.829
138 HG23 VAL 18 HG23 VAL 18 -1.072 0.315 21.467
139 H ILE 19 HN ILE 19 -5.414 2.299 20.281
140 HA ILE 19 HA ILE 19 -6.794 3.390 22.501
141 HB ILE 19 HB ILE 19 -7.061 3.903 19.528
142 HG12 ILE 19 HG12 ILE 19 -5.776 5.572 21.706
143 HG13 ILE 19 HG11 ILE 19 -4.877 4.415 20.723
144 HG21 ILE 19 HG21 ILE 19 -8.115 6.081 20.380
145 HG22 ILE 19 HG22 ILE 19 -8.310 5.259 21.929
146 HG23 ILE 19 HG23 ILE 19 -9.120 4.636 20.492
147 HD11 ILE 19 HD11 ILE 19 -6.409 6.833 19.727
148 HD12 ILE 19 HD12 ILE 19 -5.688 5.616 18.674
149 HD13 ILE 19 HD13 ILE 19 -4.660 6.609 19.708
150 H ALA 20 HN ALA 20 -7.839 1.472 19.717
151 HA ALA 20 HA ALA 20 -10.612 1.486 20.380
152 HB1 ALA 20 HB1 ALA 20 -10.865 -0.141 18.655
153 HB2 ALA 20 HB2 ALA 20 -9.176 -0.635 18.779
154 HB3 ALA 20 HB3 ALA 20 -9.587 0.947 18.116
155 HN1 NH2 21 H2 NH2 21 -9.093 -2.011 21.919
156 HN2 NH2 21 H1 NH2 21 -8.347 -1.327 20.556
Start of MODEL 2
1 H1 ACE 0 HA2 ACE 0 8.568 -4.170 -1.474
2 H2 ACE 0 HA3 ACE 0 8.639 -5.202 -0.045
3 H3 ACE 0 HA1 ACE 0 7.429 -3.923 -0.150
4 H LEU 1 HN LEU 1 6.472 -6.334 0.432
5 HA LEU 1 HA LEU 1 5.858 -8.052 -1.719
6 HB2 LEU 1 HB2 LEU 1 4.456 -7.515 0.905
7 HB3 LEU 1 HB1 LEU 1 3.956 -8.783 -0.209
8 HG LEU 1 HG LEU 1 6.792 -8.570 0.839
9 HD11 LEU 1 HD11 LEU 1 5.302 -8.801 2.763
10 HD12 LEU 1 HD12 LEU 1 6.142 -10.325 2.479
11 HD13 LEU 1 HD13 LEU 1 4.460 -10.141 1.982
12 HD21 LEU 1 HD21 LEU 1 5.170 -10.680 -0.607
13 HD22 LEU 1 HD22 LEU 1 6.587 -11.126 0.339
14 HD23 LEU 1 HD23 LEU 1 6.755 -10.034 -1.029
15 H GLY 2 HN GLY 2 4.165 -5.252 -0.361
16 HA2 GLY 2 HA2 GLY 2 3.110 -4.029 -2.453
17 HA3 GLY 2 HA1 GLY 2 2.067 -5.448 -2.405
18 H LEU 3 HN LEU 3 2.267 -5.580 0.557
19 HA LEU 3 HA LEU 3 0.174 -3.597 1.137
20 HB2 LEU 3 HB2 LEU 3 1.122 -6.059 2.615
21 HB3 LEU 3 HB1 LEU 3 -0.136 -4.979 3.211
22 HG LEU 3 HG LEU 3 -0.245 -6.376 0.519
23 HD11 LEU 3 HD11 LEU 3 -0.242 -7.995 2.392
24 HD12 LEU 3 HD12 LEU 3 -1.811 -7.942 1.587
25 HD13 LEU 3 HD13 LEU 3 -1.585 -7.127 3.136
26 HD21 LEU 3 HD21 LEU 3 -2.793 -5.844 1.022
27 HD22 LEU 3 HD22 LEU 3 -1.754 -4.584 0.368
28 HD23 LEU 3 HD23 LEU 3 -2.126 -4.612 2.092
29 H LEU 4 HN LEU 4 3.510 -4.141 1.702
30 HA LEU 4 HA LEU 4 3.791 -2.977 4.257
31 HB2 LEU 4 HB2 LEU 4 5.693 -3.128 1.913
32 HB3 LEU 4 HB1 LEU 4 6.155 -2.514 3.498
33 HG LEU 4 HG LEU 4 4.941 -5.256 3.054
34 HD11 LEU 4 HD11 LEU 4 7.861 -4.488 3.352
35 HD12 LEU 4 HD12 LEU 4 7.098 -5.072 1.873
36 HD13 LEU 4 HD13 LEU 4 7.234 -6.132 3.277
37 HD21 LEU 4 HD21 LEU 4 6.101 -3.784 5.420
38 HD22 LEU 4 HD22 LEU 4 6.261 -5.538 5.340
39 HD23 LEU 4 HD23 LEU 4 4.664 -4.801 5.332
40 H SER 5 HN SER 5 3.899 -1.526 1.007
41 HA SER 5 HA SER 5 4.491 1.106 1.864
42 HB2 SER 5 HB2 SER 5 4.778 0.659 -0.447
43 HB3 SER 5 HB1 SER 5 3.155 -0.009 -0.601
44 HG SER 5 HG SER 5 3.894 2.448 -1.048
45 H TYR 6 HN TYR 6 1.431 -0.532 1.155
46 HA TYR 6 HA TYR 6 -0.265 1.655 1.751
47 HB2 TYR 6 HB2 TYR 6 -1.114 -0.164 0.442
48 HB3 TYR 6 HB1 TYR 6 -0.736 -1.332 1.703
49 HD1 TYR 6 HD1 TYR 6 -2.679 1.854 1.233
50 HD2 TYR 6 HD2 TYR 6 -2.458 -1.993 3.140
51 HE1 TYR 6 HE1 TYR 6 -4.924 2.213 2.227
52 HE2 TYR 6 HE2 TYR 6 -4.702 -1.631 4.129
53 HH TYR 6 HH TYR 6 -6.143 0.349 4.735
54 H GLY 7 HN GLY 7 0.858 -1.089 3.708
55 HA2 GLY 7 HA2 GLY 7 -0.455 -0.005 6.095
56 HA3 GLY 7 HA1 GLY 7 0.334 -1.572 5.955
57 H ALA 8 HN ALA 8 2.101 1.072 4.670
58 HA ALA 8 HA ALA 8 4.310 0.694 6.376
59 HB1 ALA 8 HB1 ALA 8 5.148 2.826 5.407
60 HB2 ALA 8 HB2 ALA 8 3.573 3.070 4.654
61 HB3 ALA 8 HB3 ALA 8 4.576 1.701 4.178
62 H GLY 9 HN GLY 9 2.949 0.741 8.418
63 HA2 GLY 9 HA2 GLY 9 2.785 1.769 10.485
64 HA3 GLY 9 HA1 GLY 9 3.437 3.235 9.766
65 H VAL 10 HN VAL 10 1.147 2.582 7.687
66 HA VAL 10 HA VAL 10 -0.636 4.594 8.567
67 HB VAL 10 HB VAL 10 -1.106 2.410 6.541
68 HG11 VAL 10 HG11 VAL 10 -2.476 5.029 7.145
69 HG12 VAL 10 HG12 VAL 10 -3.195 3.421 7.033
70 HG13 VAL 10 HG13 VAL 10 -2.626 4.235 5.576
71 HG21 VAL 10 HG21 VAL 10 -0.309 4.049 4.896
72 HG22 VAL 10 HG22 VAL 10 0.944 3.746 6.100
73 HG23 VAL 10 HG23 VAL 10 -0.022 5.220 6.184
74 H ALA 11 HN ALA 11 -0.897 1.047 8.524
75 HA ALA 11 HA ALA 11 -3.465 1.101 9.888
76 HB1 ALA 11 HB1 ALA 11 -3.364 -1.326 9.712
77 HB2 ALA 11 HB2 ALA 11 -1.679 -1.241 9.192
78 HB3 ALA 11 HB3 ALA 11 -2.956 -0.600 8.156
79 H SER 12 HN SER 12 -0.208 1.202 10.781
80 HA SER 12 HA SER 12 -0.411 -0.296 13.233
81 HB2 SER 12 HB2 SER 12 1.710 1.733 12.556
82 HB3 SER 12 HB1 SER 12 1.833 0.344 13.631
83 HG SER 12 HG SER 12 1.791 -1.000 11.892
84 H LEU 13 HN LEU 13 -1.676 2.641 12.345
85 HA LEU 13 HA LEU 13 -1.370 3.784 15.061
86 HB2 LEU 13 HB2 LEU 13 -1.317 4.951 12.392
87 HB3 LEU 13 HB1 LEU 13 -2.559 5.731 13.372
88 HG LEU 13 HG LEU 13 -0.771 6.004 15.182
89 HD11 LEU 13 HD11 LEU 13 0.734 4.242 14.141
90 HD12 LEU 13 HD12 LEU 13 1.537 5.760 14.545
91 HD13 LEU 13 HD13 LEU 13 1.098 5.414 12.873
92 HD21 LEU 13 HD21 LEU 13 -0.327 7.326 12.486
93 HD22 LEU 13 HD22 LEU 13 0.257 7.942 14.032
94 HD23 LEU 13 HD23 LEU 13 -1.476 7.856 13.715
95 HA PRO 14 HA PRO 14 -6.166 4.166 14.149
96 HB2 PRO 14 HB2 PRO 14 -6.446 1.913 12.192
97 HB3 PRO 14 HB1 PRO 14 -7.305 3.463 12.258
98 HG2 PRO 14 HG2 PRO 14 -5.402 3.022 10.454
99 HG3 PRO 14 HG1 PRO 14 -5.592 4.609 11.224
100 HD2 PRO 14 HD2 PRO 14 -3.524 2.499 11.749
101 HD3 PRO 14 HD1 PRO 14 -3.380 4.264 11.770
102 H LEU 15 HN LEU 15 -4.839 0.877 13.655
103 HA LEU 15 HA LEU 15 -6.734 -0.467 15.244
104 HB2 LEU 15 HB2 LEU 15 -3.896 -1.192 14.501
105 HB3 LEU 15 HB1 LEU 15 -5.006 -2.296 15.306
106 HG LEU 15 HG LEU 15 -5.653 -0.924 12.683
107 HD11 LEU 15 HD11 LEU 15 -5.010 -3.020 11.577
108 HD12 LEU 15 HD12 LEU 15 -4.518 -3.702 13.127
109 HD13 LEU 15 HD13 LEU 15 -3.633 -2.339 12.442
110 HD21 LEU 15 HD21 LEU 15 -6.914 -3.128 14.324
111 HD22 LEU 15 HD22 LEU 15 -7.158 -3.078 12.580
112 HD23 LEU 15 HD23 LEU 15 -7.683 -1.728 13.578
113 H LEU 16 HN LEU 16 -3.532 0.826 16.061
114 HA LEU 16 HA LEU 16 -3.492 -0.142 18.718
115 HB2 LEU 16 HB2 LEU 16 -2.025 2.034 17.250
116 HB3 LEU 16 HB1 LEU 16 -1.846 1.883 18.999
117 HG LEU 16 HG LEU 16 -1.161 -0.471 18.734
118 HD11 LEU 16 HD11 LEU 16 -2.318 -1.166 16.779
119 HD12 LEU 16 HD12 LEU 16 -0.613 -1.190 16.329
120 HD13 LEU 16 HD13 LEU 16 -1.643 0.146 15.816
121 HD21 LEU 16 HD21 LEU 16 0.974 0.053 17.301
122 HD22 LEU 16 HD22 LEU 16 0.708 0.953 18.793
123 HD23 LEU 16 HD23 LEU 16 0.325 1.693 17.240
124 H ASN 17 HN ASN 17 -4.703 2.861 17.298
125 HA ASN 17 HA ASN 17 -5.258 4.224 19.700
126 HB2 ASN 17 HB2 ASN 17 -5.265 5.347 17.527
127 HB3 ASN 17 HB1 ASN 17 -6.661 4.397 17.022
128 HD21 ASN 17 HD21 ASN 17 -5.647 6.715 19.588
129 HD22 ASN 17 HD22 ASN 17 -7.194 7.385 19.794
130 H VAL 18 HN VAL 18 -7.219 1.994 17.752
131 HA VAL 18 HA VAL 18 -9.591 2.217 19.302
132 HB VAL 18 HB VAL 18 -8.572 -0.028 17.544
133 HG11 VAL 18 HG11 VAL 18 -10.195 -1.029 18.961
134 HG12 VAL 18 HG12 VAL 18 -11.094 -0.584 17.511
135 HG13 VAL 18 HG13 VAL 18 -11.206 0.416 18.959
136 HG21 VAL 18 HG21 VAL 18 -10.013 0.931 15.859
137 HG22 VAL 18 HG22 VAL 18 -9.009 2.232 16.496
138 HG23 VAL 18 HG23 VAL 18 -10.686 2.081 17.014
139 H ILE 19 HN ILE 19 -6.876 -0.057 19.354
140 HA ILE 19 HA ILE 19 -7.822 -1.689 21.462
141 HB ILE 19 HB ILE 19 -5.032 -1.127 20.438
142 HG12 ILE 19 HG12 ILE 19 -6.793 -3.568 20.113
143 HG13 ILE 19 HG11 ILE 19 -6.769 -2.240 18.951
144 HG21 ILE 19 HG21 ILE 19 -4.584 -3.385 21.635
145 HG22 ILE 19 HG22 ILE 19 -6.041 -3.026 22.561
146 HG23 ILE 19 HG23 ILE 19 -4.660 -1.933 22.633
147 HD11 ILE 19 HD11 ILE 19 -4.377 -2.572 18.570
148 HD12 ILE 19 HD12 ILE 19 -5.230 -4.090 18.302
149 HD13 ILE 19 HD13 ILE 19 -4.333 -3.837 19.798
150 H ALA 20 HN ALA 20 -5.708 1.152 21.392
151 HA ALA 20 HA ALA 20 -5.412 1.161 24.289
152 HB1 ALA 20 HB1 ALA 20 -3.635 1.885 22.576
153 HB2 ALA 20 HB2 ALA 20 -3.878 2.924 23.980
154 HB3 ALA 20 HB3 ALA 20 -4.572 3.371 22.420
155 HN1 NH2 21 H2 NH2 21 -8.404 3.578 23.081
156 HN2 NH2 21 H1 NH2 21 -7.673 2.468 22.028
Start of MODEL 3
1 H1 ACE 0 HA2 ACE 0 7.273 -6.728 1.420
2 H2 ACE 0 HA3 ACE 0 8.077 -7.762 0.238
3 H3 ACE 0 HA1 ACE 0 7.590 -8.421 1.798
4 H LEU 1 HN LEU 1 5.218 -8.323 2.270
5 HA LEU 1 HA LEU 1 3.738 -9.612 0.241
6 HB2 LEU 1 HB2 LEU 1 2.885 -8.283 2.819
7 HB3 LEU 1 HB1 LEU 1 1.786 -9.202 1.793
8 HG LEU 1 HG LEU 1 4.372 -10.332 2.903
9 HD11 LEU 1 HD11 LEU 1 1.548 -10.642 3.966
10 HD12 LEU 1 HD12 LEU 1 2.824 -9.692 4.729
11 HD13 LEU 1 HD13 LEU 1 2.984 -11.444 4.600
12 HD21 LEU 1 HD21 LEU 1 2.914 -12.498 2.468
13 HD22 LEU 1 HD22 LEU 1 3.756 -11.734 1.126
14 HD23 LEU 1 HD23 LEU 1 2.030 -11.451 1.358
15 H GLY 2 HN GLY 2 3.804 -6.278 1.402
16 HA2 GLY 2 HA2 GLY 2 3.497 -4.539 -0.358
17 HA3 GLY 2 HA1 GLY 2 2.096 -5.466 -0.891
18 H LEU 3 HN LEU 3 1.816 -6.026 2.145
19 HA LEU 3 HA LEU 3 -0.280 -4.191 2.642
20 HB2 LEU 3 HB2 LEU 3 1.242 -5.838 4.672
21 HB3 LEU 3 HB1 LEU 3 -0.399 -5.207 4.828
22 HG LEU 3 HG LEU 3 0.505 -7.205 2.730
23 HD11 LEU 3 HD11 LEU 3 -0.766 -8.843 4.025
24 HD12 LEU 3 HD12 LEU 3 -1.226 -7.604 5.191
25 HD13 LEU 3 HD13 LEU 3 0.457 -8.106 5.060
26 HD21 LEU 3 HD21 LEU 3 -1.331 -6.071 1.784
27 HD22 LEU 3 HD22 LEU 3 -2.117 -5.832 3.346
28 HD23 LEU 3 HD23 LEU 3 -2.107 -7.429 2.597
29 H LEU 4 HN LEU 4 3.105 -4.282 3.618
30 HA LEU 4 HA LEU 4 3.035 -2.199 5.508
31 HB2 LEU 4 HB2 LEU 4 5.252 -3.214 3.727
32 HB3 LEU 4 HB1 LEU 4 5.500 -1.994 4.973
33 HG LEU 4 HG LEU 4 4.300 -4.731 5.499
34 HD11 LEU 4 HD11 LEU 4 6.656 -4.861 4.701
35 HD12 LEU 4 HD12 LEU 4 6.489 -5.362 6.383
36 HD13 LEU 4 HD13 LEU 4 7.132 -3.766 5.999
37 HD21 LEU 4 HD21 LEU 4 5.014 -2.352 7.203
38 HD22 LEU 4 HD22 LEU 4 5.233 -3.961 7.888
39 HD23 LEU 4 HD23 LEU 4 3.644 -3.452 7.333
40 H SER 5 HN SER 5 3.453 -2.147 1.988
41 HA SER 5 HA SER 5 4.205 0.537 1.711
42 HB2 SER 5 HB2 SER 5 2.507 -1.156 -0.137
43 HB3 SER 5 HB1 SER 5 3.274 0.367 -0.575
44 HG SER 5 HG SER 5 4.347 -1.917 -0.838
45 H TYR 6 HN TYR 6 0.966 -0.940 1.837
46 HA TYR 6 HA TYR 6 -0.436 1.535 1.560
47 HB2 TYR 6 HB2 TYR 6 -1.329 -1.137 2.671
48 HB3 TYR 6 HB1 TYR 6 -2.402 0.226 2.347
49 HD1 TYR 6 HD1 TYR 6 -2.369 1.218 -0.049
50 HD2 TYR 6 HD2 TYR 6 -0.802 -2.656 0.945
51 HE1 TYR 6 HE1 TYR 6 -2.524 0.542 -2.431
52 HE2 TYR 6 HE2 TYR 6 -0.954 -3.330 -1.437
53 HH TYR 6 HH TYR 6 -1.534 -1.075 -3.949
54 H GLY 7 HN GLY 7 0.618 -0.434 4.294
55 HA2 GLY 7 HA2 GLY 7 -0.355 1.605 6.203
56 HA3 GLY 7 HA1 GLY 7 0.076 -0.055 6.599
57 H ALA 8 HN ALA 8 1.976 2.057 4.543
58 HA ALA 8 HA ALA 8 4.408 1.524 5.823
59 HB1 ALA 8 HB1 ALA 8 5.232 3.547 4.577
60 HB2 ALA 8 HB2 ALA 8 3.570 3.834 4.062
61 HB3 ALA 8 HB3 ALA 8 4.405 2.359 3.570
62 H GLY 9 HN GLY 9 1.967 3.977 6.454
63 HA2 GLY 9 HA2 GLY 9 3.268 4.614 8.985
64 HA3 GLY 9 HA1 GLY 9 3.172 5.947 7.837
65 H VAL 10 HN VAL 10 0.637 5.043 6.708
66 HA VAL 10 HA VAL 10 -1.136 6.461 8.366
67 HB VAL 10 HB VAL 10 -2.881 5.609 6.847
68 HG11 VAL 10 HG11 VAL 10 -1.309 7.508 6.247
69 HG12 VAL 10 HG12 VAL 10 -2.054 6.693 4.872
70 HG13 VAL 10 HG13 VAL 10 -0.383 6.336 5.308
71 HG21 VAL 10 HG21 VAL 10 -2.132 3.336 6.499
72 HG22 VAL 10 HG22 VAL 10 -0.609 3.898 5.811
73 HG23 VAL 10 HG23 VAL 10 -2.117 4.151 4.937
74 H ALA 11 HN ALA 11 -0.556 2.990 7.948
75 HA ALA 11 HA ALA 11 -2.673 2.221 9.749
76 HB1 ALA 11 HB1 ALA 11 -1.800 0.792 7.863
77 HB2 ALA 11 HB2 ALA 11 -1.889 -0.022 9.425
78 HB3 ALA 11 HB3 ALA 11 -0.336 0.551 8.817
79 H SER 12 HN SER 12 -0.442 4.069 10.637
80 HA SER 12 HA SER 12 0.684 2.474 12.864
81 HB2 SER 12 HB2 SER 12 1.518 5.248 12.025
82 HB3 SER 12 HB1 SER 12 2.394 4.110 13.041
83 HG SER 12 HG SER 12 3.300 3.819 11.102
84 H LEU 13 HN LEU 13 -2.074 3.396 12.842
85 HA LEU 13 HA LEU 13 -2.102 4.597 15.432
86 HB2 LEU 13 HB2 LEU 13 -1.991 6.442 13.336
87 HB3 LEU 13 HB1 LEU 13 -3.707 6.376 13.716
88 HG LEU 13 HG LEU 13 -2.985 6.635 16.191
89 HD11 LEU 13 HD11 LEU 13 -0.623 6.275 16.067
90 HD12 LEU 13 HD12 LEU 13 -0.834 7.998 16.360
91 HD13 LEU 13 HD13 LEU 13 -0.443 7.423 14.742
92 HD21 LEU 13 HD21 LEU 13 -2.791 9.128 15.895
93 HD22 LEU 13 HD22 LEU 13 -4.133 8.411 15.000
94 HD23 LEU 13 HD23 LEU 13 -2.651 8.862 14.158
95 HA PRO 14 HA PRO 14 -6.644 3.730 13.881
96 HB2 PRO 14 HB2 PRO 14 -6.036 1.948 11.554
97 HB3 PRO 14 HB1 PRO 14 -7.304 3.179 11.729
98 HG2 PRO 14 HG2 PRO 14 -5.186 3.639 10.205
99 HG3 PRO 14 HG1 PRO 14 -5.859 4.924 11.230
100 HD2 PRO 14 HD2 PRO 14 -3.433 3.215 11.707
101 HD3 PRO 14 HD1 PRO 14 -3.638 4.957 11.970
102 H LEU 15 HN LEU 15 -4.312 1.167 13.028
103 HA LEU 15 HA LEU 15 -5.753 -0.956 14.229
104 HB2 LEU 15 HB2 LEU 15 -2.825 -0.642 13.540
105 HB3 LEU 15 HB1 LEU 15 -3.530 -2.147 14.120
106 HG LEU 15 HG LEU 15 -4.564 -0.668 11.685
107 HD11 LEU 15 HD11 LEU 15 -2.205 -1.338 11.356
108 HD12 LEU 15 HD12 LEU 15 -3.292 -2.281 10.337
109 HD13 LEU 15 HD13 LEU 15 -2.620 -2.993 11.804
110 HD21 LEU 15 HD21 LEU 15 -6.247 -2.173 12.356
111 HD22 LEU 15 HD22 LEU 15 -5.089 -3.363 12.946
112 HD23 LEU 15 HD23 LEU 15 -5.323 -3.143 11.214
113 H LEU 16 HN LEU 16 -3.162 1.151 15.375
114 HA LEU 16 HA LEU 16 -2.725 -0.112 17.861
115 HB2 LEU 16 HB2 LEU 16 -2.382 2.825 17.227
116 HB3 LEU 16 HB1 LEU 16 -1.554 1.903 18.482
117 HG LEU 16 HG LEU 16 -1.309 1.434 15.494
118 HD11 LEU 16 HD11 LEU 16 0.760 2.452 17.458
119 HD12 LEU 16 HD12 LEU 16 -0.209 3.509 16.430
120 HD13 LEU 16 HD13 LEU 16 0.909 2.354 15.703
121 HD21 LEU 16 HD21 LEU 16 -0.213 0.007 17.922
122 HD22 LEU 16 HD22 LEU 16 0.672 -0.016 16.396
123 HD23 LEU 16 HD23 LEU 16 -0.957 -0.680 16.476
124 H ASN 17 HN ASN 17 -4.924 2.478 16.867
125 HA ASN 17 HA ASN 17 -5.863 3.165 19.435
126 HB2 ASN 17 HB2 ASN 17 -6.246 4.552 17.434
127 HB3 ASN 17 HB1 ASN 17 -7.315 3.312 16.782
128 HD21 ASN 17 HD21 ASN 17 -8.086 6.080 17.490
129 HD22 ASN 17 HD22 ASN 17 -9.270 5.949 18.701
130 H VAL 18 HN VAL 18 -6.971 0.760 17.075
131 HA VAL 18 HA VAL 18 -9.294 -0.051 18.474
132 HB VAL 18 HB VAL 18 -7.524 -1.557 16.533
133 HG11 VAL 18 HG11 VAL 18 -10.183 -2.234 17.799
134 HG12 VAL 18 HG12 VAL 18 -8.733 -3.233 17.700
135 HG13 VAL 18 HG13 VAL 18 -9.691 -2.923 16.253
136 HG21 VAL 18 HG21 VAL 18 -9.066 -0.859 14.860
137 HG22 VAL 18 HG22 VAL 18 -8.763 0.588 15.824
138 HG23 VAL 18 HG23 VAL 18 -10.250 -0.333 16.059
139 H ILE 19 HN ILE 19 -5.968 -1.299 18.453
140 HA ILE 19 HA ILE 19 -6.394 -3.403 20.301
141 HB ILE 19 HB ILE 19 -3.902 -1.842 19.575
142 HG12 ILE 19 HG12 ILE 19 -4.741 -4.654 18.821
143 HG13 ILE 19 HG11 ILE 19 -5.095 -3.247 17.820
144 HG21 ILE 19 HG21 ILE 19 -3.417 -2.778 21.701
145 HG22 ILE 19 HG22 ILE 19 -2.780 -3.953 20.551
146 HG23 ILE 19 HG23 ILE 19 -4.324 -4.251 21.353
147 HD11 ILE 19 HD11 ILE 19 -2.289 -3.868 18.751
148 HD12 ILE 19 HD12 ILE 19 -2.794 -2.797 17.442
149 HD13 ILE 19 HD13 ILE 19 -2.948 -4.544 17.260
150 H ALA 20 HN ALA 20 -5.333 -0.045 20.665
151 HA ALA 20 HA ALA 20 -5.159 -0.267 23.562
152 HB1 ALA 20 HB1 ALA 20 -3.622 1.179 22.192
153 HB2 ALA 20 HB2 ALA 20 -4.433 2.026 23.509
154 HB3 ALA 20 HB3 ALA 20 -5.003 2.222 21.851
155 HN1 NH2 21 H2 NH2 21 -8.798 0.956 22.459
156 HN2 NH2 21 H1 NH2 21 -7.732 0.147 21.414
Start of MODEL 4
1 H1 ACE 0 HA2 ACE 0 5.020 -7.839 4.771
2 H2 ACE 0 HA3 ACE 0 3.637 -8.760 5.364
3 H3 ACE 0 HA1 ACE 0 3.450 -7.057 4.949
4 H LEU 1 HN LEU 1 1.682 -7.864 3.570
5 HA LEU 1 HA LEU 1 2.098 -9.571 1.361
6 HB2 LEU 1 HB2 LEU 1 0.080 -7.376 1.855
7 HB3 LEU 1 HB1 LEU 1 0.021 -8.446 0.458
8 HG LEU 1 HG LEU 1 0.074 -9.447 3.320
9 HD11 LEU 1 HD11 LEU 1 -2.261 -8.832 1.494
10 HD12 LEU 1 HD12 LEU 1 -1.947 -8.170 3.099
11 HD13 LEU 1 HD13 LEU 1 -2.397 -9.866 2.915
12 HD21 LEU 1 HD21 LEU 1 -1.071 -11.443 2.016
13 HD22 LEU 1 HD22 LEU 1 0.678 -11.269 1.970
14 HD23 LEU 1 HD23 LEU 1 -0.295 -10.722 0.607
15 H GLY 2 HN GLY 2 2.332 -6.058 1.729
16 HA2 GLY 2 HA2 GLY 2 4.377 -5.492 0.064
17 HA3 GLY 2 HA1 GLY 2 3.034 -5.663 -1.063
18 H LEU 3 HN LEU 3 1.034 -4.629 0.770
19 HA LEU 3 HA LEU 3 1.556 -1.775 0.394
20 HB2 LEU 3 HB2 LEU 3 -0.918 -3.275 1.279
21 HB3 LEU 3 HB1 LEU 3 -0.834 -1.531 1.040
22 HG LEU 3 HG LEU 3 -0.207 -3.575 -1.114
23 HD11 LEU 3 HD11 LEU 3 -2.396 -3.145 -2.015
24 HD12 LEU 3 HD12 LEU 3 -2.692 -1.864 -0.839
25 HD13 LEU 3 HD13 LEU 3 -2.612 -3.545 -0.312
26 HD21 LEU 3 HD21 LEU 3 -0.721 -1.372 -2.504
27 HD22 LEU 3 HD22 LEU 3 0.873 -1.615 -1.800
28 HD23 LEU 3 HD23 LEU 3 -0.291 -0.561 -0.998
29 H LEU 4 HN LEU 4 1.935 -4.058 2.846
30 HA LEU 4 HA LEU 4 1.124 -2.609 5.125
31 HB2 LEU 4 HB2 LEU 4 1.694 -5.005 5.185
32 HB3 LEU 4 HB1 LEU 4 3.374 -4.619 4.835
33 HG LEU 4 HG LEU 4 3.469 -3.285 6.953
34 HD11 LEU 4 HD11 LEU 4 0.609 -4.231 7.114
35 HD12 LEU 4 HD12 LEU 4 1.265 -2.626 7.434
36 HD13 LEU 4 HD13 LEU 4 1.524 -3.927 8.591
37 HD21 LEU 4 HD21 LEU 4 3.470 -5.247 8.455
38 HD22 LEU 4 HD22 LEU 4 4.209 -5.632 6.900
39 HD23 LEU 4 HD23 LEU 4 2.566 -6.166 7.250
40 H SER 5 HN SER 5 4.274 -2.788 3.464
41 HA SER 5 HA SER 5 5.623 -0.988 5.186
42 HB2 SER 5 HB2 SER 5 6.151 -1.615 2.272
43 HB3 SER 5 HB1 SER 5 7.271 -0.808 3.366
44 HG SER 5 HG SER 5 7.714 -2.664 4.272
45 H TYR 6 HN TYR 6 3.885 -0.557 2.139
46 HA TYR 6 HA TYR 6 4.363 2.201 1.806
47 HB2 TYR 6 HB2 TYR 6 3.550 0.826 -0.018
48 HB3 TYR 6 HB1 TYR 6 2.070 0.468 0.869
49 HD1 TYR 6 HD1 TYR 6 4.079 3.392 -0.354
50 HD2 TYR 6 HD2 TYR 6 0.180 1.807 0.509
51 HE1 TYR 6 HE1 TYR 6 3.038 5.445 -1.276
52 HE2 TYR 6 HE2 TYR 6 -0.858 3.855 -0.414
53 HH TYR 6 HH TYR 6 -0.470 5.724 -1.634
54 H GLY 7 HN GLY 7 1.666 0.454 3.325
55 HA2 GLY 7 HA2 GLY 7 0.426 2.942 4.215
56 HA3 GLY 7 HA1 GLY 7 -0.199 1.313 4.452
57 H ALA 8 HN ALA 8 3.115 1.883 5.229
58 HA ALA 8 HA ALA 8 2.741 1.113 7.951
59 HB1 ALA 8 HB1 ALA 8 4.813 0.652 6.654
60 HB2 ALA 8 HB2 ALA 8 5.134 1.482 8.178
61 HB3 ALA 8 HB3 ALA 8 5.168 2.380 6.660
62 H GLY 9 HN GLY 9 1.172 3.425 7.315
63 HA2 GLY 9 HA2 GLY 9 2.012 5.147 9.489
64 HA3 GLY 9 HA1 GLY 9 2.041 5.917 7.906
65 H VAL 10 HN VAL 10 -0.125 5.103 6.620
66 HA VAL 10 HA VAL 10 -2.239 6.537 7.816
67 HB VAL 10 HB VAL 10 -2.258 4.537 5.549
68 HG11 VAL 10 HG11 VAL 10 -4.403 5.790 4.953
69 HG12 VAL 10 HG12 VAL 10 -4.371 6.431 6.595
70 HG13 VAL 10 HG13 VAL 10 -4.510 4.692 6.329
71 HG21 VAL 10 HG21 VAL 10 -0.857 6.505 5.131
72 HG22 VAL 10 HG22 VAL 10 -2.172 7.570 5.633
73 HG23 VAL 10 HG23 VAL 10 -2.329 6.606 4.165
74 H ALA 11 HN ALA 11 -1.696 3.036 7.454
75 HA ALA 11 HA ALA 11 -4.085 2.386 8.971
76 HB1 ALA 11 HB1 ALA 11 -3.120 1.008 7.049
77 HB2 ALA 11 HB2 ALA 11 -3.561 0.117 8.507
78 HB3 ALA 11 HB3 ALA 11 -1.869 0.496 8.183
79 H SER 12 HN SER 12 -0.863 3.182 9.677
80 HA SER 12 HA SER 12 -0.450 1.580 11.994
81 HB2 SER 12 HB2 SER 12 1.396 2.690 10.777
82 HB3 SER 12 HB1 SER 12 0.769 4.259 11.274
83 HG SER 12 HG SER 12 1.199 3.744 13.386
84 H LEU 13 HN LEU 13 -2.543 4.140 11.382
85 HA LEU 13 HA LEU 13 -2.541 5.169 14.120
86 HB2 LEU 13 HB2 LEU 13 -3.586 6.046 11.488
87 HB3 LEU 13 HB1 LEU 13 -4.635 6.433 12.851
88 HG LEU 13 HG LEU 13 -2.664 7.487 13.993
89 HD11 LEU 13 HD11 LEU 13 -1.335 7.133 11.289
90 HD12 LEU 13 HD12 LEU 13 -0.943 6.173 12.715
91 HD13 LEU 13 HD13 LEU 13 -0.639 7.910 12.710
92 HD21 LEU 13 HD21 LEU 13 -3.421 8.513 11.241
93 HD22 LEU 13 HD22 LEU 13 -2.584 9.473 12.461
94 HD23 LEU 13 HD23 LEU 13 -4.222 8.895 12.765
95 HA PRO 14 HA PRO 14 -7.079 3.532 14.031
96 HB2 PRO 14 HB2 PRO 14 -7.722 1.803 11.951
97 HB3 PRO 14 HB1 PRO 14 -8.060 3.544 11.951
98 HG2 PRO 14 HG2 PRO 14 -5.777 2.066 10.711
99 HG3 PRO 14 HG1 PRO 14 -6.756 3.389 10.047
100 HD2 PRO 14 HD2 PRO 14 -4.313 3.861 11.052
101 HD3 PRO 14 HD1 PRO 14 -5.640 5.021 11.300
102 H LEU 15 HN LEU 15 -4.761 1.240 12.556
103 HA LEU 15 HA LEU 15 -5.700 -1.061 13.888
104 HB2 LEU 15 HB2 LEU 15 -2.969 -0.369 12.796
105 HB3 LEU 15 HB1 LEU 15 -3.393 -1.964 13.409
106 HG LEU 15 HG LEU 15 -4.895 -0.544 11.188
107 HD11 LEU 15 HD11 LEU 15 -2.516 -1.100 10.611
108 HD12 LEU 15 HD12 LEU 15 -3.699 -1.966 9.633
109 HD13 LEU 15 HD13 LEU 15 -2.875 -2.793 10.956
110 HD21 LEU 15 HD21 LEU 15 -6.400 -2.145 11.975
111 HD22 LEU 15 HD22 LEU 15 -5.128 -3.228 12.538
112 HD23 LEU 15 HD23 LEU 15 -5.501 -3.120 10.819
113 H LEU 16 HN LEU 16 -3.184 1.277 14.735
114 HA LEU 16 HA LEU 16 -2.345 -0.010 17.116
115 HB2 LEU 16 HB2 LEU 16 -2.080 2.771 16.005
116 HB3 LEU 16 HB1 LEU 16 -1.576 2.446 17.659
117 HG LEU 16 HG LEU 16 0.242 2.249 15.879
118 HD11 LEU 16 HD11 LEU 16 0.142 1.047 18.219
119 HD12 LEU 16 HD12 LEU 16 1.363 0.570 17.044
120 HD13 LEU 16 HD13 LEU 16 -0.083 -0.411 17.253
121 HD21 LEU 16 HD21 LEU 16 0.270 0.407 14.390
122 HD22 LEU 16 HD22 LEU 16 -1.375 1.024 14.282
123 HD23 LEU 16 HD23 LEU 16 -1.035 -0.414 15.242
124 H ASN 17 HN ASN 17 -4.803 2.425 16.424
125 HA ASN 17 HA ASN 17 -5.475 3.079 19.077
126 HB2 ASN 17 HB2 ASN 17 -7.010 3.167 16.481
127 HB3 ASN 17 HB1 ASN 17 -7.736 3.679 18.003
128 HD21 ASN 17 HD21 ASN 17 -7.301 5.545 15.882
129 HD22 ASN 17 HD22 ASN 17 -6.106 6.645 16.375
130 H VAL 18 HN VAL 18 -6.665 0.527 16.916
131 HA VAL 18 HA VAL 18 -8.732 -0.413 18.608
132 HB VAL 18 HB VAL 18 -7.113 -1.789 16.451
133 HG11 VAL 18 HG11 VAL 18 -9.445 -2.768 18.112
134 HG12 VAL 18 HG12 VAL 18 -7.897 -3.567 17.837
135 HG13 VAL 18 HG13 VAL 18 -9.071 -3.445 16.526
136 HG21 VAL 18 HG21 VAL 18 -9.980 -0.799 16.509
137 HG22 VAL 18 HG22 VAL 18 -9.115 -1.443 15.113
138 HG23 VAL 18 HG23 VAL 18 -8.636 0.103 15.813
139 H ILE 19 HN ILE 19 -5.335 -1.385 18.226
140 HA ILE 19 HA ILE 19 -5.377 -3.464 20.147
141 HB ILE 19 HB ILE 19 -3.116 -1.721 19.135
142 HG12 ILE 19 HG12 ILE 19 -3.801 -4.610 18.529
143 HG13 ILE 19 HG11 ILE 19 -4.353 -3.260 17.536
144 HG21 ILE 19 HG21 ILE 19 -3.143 -4.122 20.973
145 HG22 ILE 19 HG22 ILE 19 -2.361 -2.563 21.231
146 HG23 ILE 19 HG23 ILE 19 -1.717 -3.685 20.033
147 HD11 ILE 19 HD11 ILE 19 -2.071 -2.608 17.046
148 HD12 ILE 19 HD12 ILE 19 -2.234 -4.330 16.699
149 HD13 ILE 19 HD13 ILE 19 -1.442 -3.799 18.183
150 H ALA 20 HN ALA 20 -4.590 -0.018 20.341
151 HA ALA 20 HA ALA 20 -3.752 0.068 23.017
152 HB1 ALA 20 HB1 ALA 20 -5.230 2.209 21.470
153 HB2 ALA 20 HB2 ALA 20 -3.488 1.942 21.424
154 HB3 ALA 20 HB3 ALA 20 -4.263 2.455 22.923
155 HN1 NH2 21 H2 NH2 21 -7.846 0.387 23.207
156 HN2 NH2 21 H1 NH2 21 -7.068 0.707 21.734
Start of MODEL 5
1 H1 ACE 0 HA2 ACE 0 3.782 -8.348 0.370
2 H2 ACE 0 HA3 ACE 0 2.405 -9.380 0.760
3 H3 ACE 0 HA1 ACE 0 2.451 -7.715 1.340
4 H LEU 1 HN LEU 1 0.470 -7.204 0.323
5 HA LEU 1 HA LEU 1 -0.116 -7.655 -2.404
6 HB2 LEU 1 HB2 LEU 1 -1.113 -5.562 -0.462
7 HB3 LEU 1 HB1 LEU 1 -1.783 -5.790 -2.073
8 HG LEU 1 HG LEU 1 -1.601 -8.022 -0.029
9 HD11 LEU 1 HD11 LEU 1 -3.007 -6.141 0.801
10 HD12 LEU 1 HD12 LEU 1 -3.956 -7.591 0.474
11 HD13 LEU 1 HD13 LEU 1 -3.978 -6.248 -0.667
12 HD21 LEU 1 HD21 LEU 1 -1.940 -9.028 -2.131
13 HD22 LEU 1 HD22 LEU 1 -2.905 -7.682 -2.735
14 HD23 LEU 1 HD23 LEU 1 -3.592 -8.806 -1.566
15 H GLY 2 HN GLY 2 1.363 -4.927 -0.707
16 HA2 GLY 2 HA2 GLY 2 3.249 -4.013 -2.288
17 HA3 GLY 2 HA1 GLY 2 1.851 -3.514 -3.240
18 H LEU 3 HN LEU 3 0.294 -3.160 -0.705
19 HA LEU 3 HA LEU 3 1.172 -0.417 -0.128
20 HB2 LEU 3 HB2 LEU 3 -1.367 -1.893 0.616
21 HB3 LEU 3 HB1 LEU 3 -1.050 -0.183 0.910
22 HG LEU 3 HG LEU 3 -1.071 -1.489 -1.831
23 HD11 LEU 3 HD11 LEU 3 -3.316 -1.496 -0.943
24 HD12 LEU 3 HD12 LEU 3 -3.205 -0.165 -2.095
25 HD13 LEU 3 HD13 LEU 3 -3.147 0.161 -0.362
26 HD21 LEU 3 HD21 LEU 3 -1.329 1.082 -2.407
27 HD22 LEU 3 HD22 LEU 3 0.268 0.418 -2.084
28 HD23 LEU 3 HD23 LEU 3 -0.583 1.315 -0.826
29 H LEU 4 HN LEU 4 1.932 -3.328 1.031
30 HA LEU 4 HA LEU 4 1.456 -3.207 3.798
31 HB2 LEU 4 HB2 LEU 4 2.158 -5.263 2.675
32 HB3 LEU 4 HB1 LEU 4 3.711 -4.536 2.275
33 HG LEU 4 HG LEU 4 4.267 -4.350 4.664
34 HD11 LEU 4 HD11 LEU 4 1.438 -5.343 4.985
35 HD12 LEU 4 HD12 LEU 4 2.249 -4.014 5.815
36 HD13 LEU 4 HD13 LEU 4 2.640 -5.679 6.233
37 HD21 LEU 4 HD21 LEU 4 4.184 -6.873 5.189
38 HD22 LEU 4 HD22 LEU 4 4.989 -6.394 3.694
39 HD23 LEU 4 HD23 LEU 4 3.351 -7.045 3.643
40 H SER 5 HN SER 5 4.170 -2.012 1.838
41 HA SER 5 HA SER 5 5.853 -1.228 3.939
42 HB2 SER 5 HB2 SER 5 6.780 -1.234 1.762
43 HB3 SER 5 HB1 SER 5 5.494 -0.211 1.125
44 HG SER 5 HG SER 5 6.356 1.514 2.142
45 H TYR 6 HN TYR 6 3.334 0.608 2.218
46 HA TYR 6 HA TYR 6 3.681 3.023 3.655
47 HB2 TYR 6 HB2 TYR 6 1.333 1.883 2.134
48 HB3 TYR 6 HB1 TYR 6 1.314 3.490 2.863
49 HD1 TYR 6 HD1 TYR 6 2.964 5.218 2.122
50 HD2 TYR 6 HD2 TYR 6 2.587 1.429 0.137
51 HE1 TYR 6 HE1 TYR 6 4.196 6.119 0.166
52 HE2 TYR 6 HE2 TYR 6 3.819 2.327 -1.816
53 HH TYR 6 HH TYR 6 5.373 5.463 -1.726
54 H GLY 7 HN GLY 7 1.551 0.234 4.148
55 HA2 GLY 7 HA2 GLY 7 0.472 1.379 6.621
56 HA3 GLY 7 HA1 GLY 7 -0.050 -0.109 5.840
57 H ALA 8 HN ALA 8 3.347 0.438 6.282
58 HA ALA 8 HA ALA 8 3.594 -1.936 7.882
59 HB1 ALA 8 HB1 ALA 8 5.722 0.143 7.370
60 HB2 ALA 8 HB2 ALA 8 5.299 -1.113 6.207
61 HB3 ALA 8 HB3 ALA 8 5.950 -1.555 7.783
62 H GLY 9 HN GLY 9 1.934 -0.524 9.371
63 HA2 GLY 9 HA2 GLY 9 1.698 0.032 11.605
64 HA3 GLY 9 HA1 GLY 9 3.440 -0.077 11.780
65 H VAL 10 HN VAL 10 2.426 1.867 9.202
66 HA VAL 10 HA VAL 10 3.632 4.184 10.260
67 HB VAL 10 HB VAL 10 1.813 3.800 7.879
68 HG11 VAL 10 HG11 VAL 10 2.872 6.023 7.167
69 HG12 VAL 10 HG12 VAL 10 3.343 6.219 8.856
70 HG13 VAL 10 HG13 VAL 10 1.637 6.114 8.424
71 HG21 VAL 10 HG21 VAL 10 3.911 2.622 7.654
72 HG22 VAL 10 HG22 VAL 10 4.815 4.015 8.245
73 HG23 VAL 10 HG23 VAL 10 4.017 4.085 6.675
74 H ALA 11 HN ALA 11 0.181 3.353 9.862
75 HA ALA 11 HA ALA 11 -0.547 4.958 12.114
76 HB1 ALA 11 HB1 ALA 11 -1.494 6.050 9.468
77 HB2 ALA 11 HB2 ALA 11 -0.076 6.679 10.307
78 HB3 ALA 11 HB3 ALA 11 -1.663 6.771 11.070
79 H SER 12 HN SER 12 -1.429 3.017 9.363
80 HA SER 12 HA SER 12 -4.227 2.906 9.869
81 HB2 SER 12 HB2 SER 12 -2.584 0.769 8.515
82 HB3 SER 12 HB1 SER 12 -4.283 1.154 8.264
83 HG SER 12 HG SER 12 -2.742 3.336 7.904
84 H LEU 13 HN LEU 13 -1.533 1.554 11.484
85 HA LEU 13 HA LEU 13 -3.225 -0.521 12.752
86 HB2 LEU 13 HB2 LEU 13 -0.534 -0.560 11.710
87 HB3 LEU 13 HB1 LEU 13 -0.480 -0.942 13.426
88 HG LEU 13 HG LEU 13 -0.712 -2.979 12.080
89 HD11 LEU 13 HD11 LEU 13 -2.046 -2.488 14.349
90 HD12 LEU 13 HD12 LEU 13 -2.226 -4.004 13.473
91 HD13 LEU 13 HD13 LEU 13 -3.439 -2.740 13.295
92 HD21 LEU 13 HD21 LEU 13 -2.343 -3.335 10.473
93 HD22 LEU 13 HD22 LEU 13 -2.111 -1.601 10.281
94 HD23 LEU 13 HD23 LEU 13 -3.483 -2.211 11.206
95 HA PRO 14 HA PRO 14 -0.756 1.599 16.438
96 HB2 PRO 14 HB2 PRO 14 -0.560 4.316 15.176
97 HB3 PRO 14 HB1 PRO 14 0.553 3.515 16.306
98 HG2 PRO 14 HG2 PRO 14 1.135 3.697 13.722
99 HG3 PRO 14 HG1 PRO 14 1.522 2.231 14.644
100 HD2 PRO 14 HD2 PRO 14 -0.671 2.676 12.660
101 HD3 PRO 14 HD1 PRO 14 0.261 1.214 12.994
102 H LEU 15 HN LEU 15 -2.806 3.664 14.363
103 HA LEU 15 HA LEU 15 -4.267 4.865 16.465
104 HB2 LEU 15 HB2 LEU 15 -4.964 4.392 13.562
105 HB3 LEU 15 HB1 LEU 15 -5.956 5.351 14.657
106 HG LEU 15 HG LEU 15 -3.027 5.904 14.093
107 HD11 LEU 15 HD11 LEU 15 -4.206 6.273 12.043
108 HD12 LEU 15 HD12 LEU 15 -3.984 7.861 12.781
109 HD13 LEU 15 HD13 LEU 15 -5.549 7.054 12.878
110 HD21 LEU 15 HD21 LEU 15 -3.936 8.243 14.988
111 HD22 LEU 15 HD22 LEU 15 -3.452 6.984 16.117
112 HD23 LEU 15 HD23 LEU 15 -5.160 7.231 15.757
113 H LEU 16 HN LEU 16 -4.839 1.976 14.510
114 HA LEU 16 HA LEU 16 -7.395 1.353 15.541
115 HB2 LEU 16 HB2 LEU 16 -5.232 -0.230 14.173
116 HB3 LEU 16 HB1 LEU 16 -6.659 -1.048 14.799
117 HG LEU 16 HG LEU 16 -6.802 -0.345 12.367
118 HD11 LEU 16 HD11 LEU 16 -8.799 -0.586 14.103
119 HD12 LEU 16 HD12 LEU 16 -9.082 0.050 12.488
120 HD13 LEU 16 HD13 LEU 16 -8.943 1.153 13.852
121 HD21 LEU 16 HD21 LEU 16 -5.608 1.864 12.838
122 HD22 LEU 16 HD22 LEU 16 -7.141 2.445 13.485
123 HD23 LEU 16 HD23 LEU 16 -7.026 1.961 11.795
124 H ASN 17 HN ASN 17 -4.131 0.431 16.561
125 HA ASN 17 HA ASN 17 -4.887 -1.393 18.574
126 HB2 ASN 17 HB2 ASN 17 -2.606 -1.303 17.742
127 HB3 ASN 17 HB1 ASN 17 -2.422 0.345 18.342
128 HD21 ASN 17 HD21 ASN 17 -3.167 -2.977 19.535
129 HD22 ASN 17 HD22 ASN 17 -2.438 -2.746 21.050
130 H VAL 18 HN VAL 18 -4.322 2.111 18.658
131 HA VAL 18 HA VAL 18 -4.594 2.415 21.463
132 HB VAL 18 HB VAL 18 -5.035 4.354 19.180
133 HG11 VAL 18 HG11 VAL 18 -5.089 4.750 22.180
134 HG12 VAL 18 HG12 VAL 18 -6.307 5.235 21.000
135 HG13 VAL 18 HG13 VAL 18 -4.757 6.072 21.061
136 HG21 VAL 18 HG21 VAL 18 -2.836 5.164 19.773
137 HG22 VAL 18 HG22 VAL 18 -2.722 3.413 19.602
138 HG23 VAL 18 HG23 VAL 18 -2.791 4.139 21.207
139 H ILE 19 HN ILE 19 -6.905 2.683 18.785
140 HA ILE 19 HA ILE 19 -9.158 3.377 20.356
141 HB ILE 19 HB ILE 19 -8.943 1.999 17.667
142 HG12 ILE 19 HG12 ILE 19 -9.735 4.838 18.366
143 HG13 ILE 19 HG11 ILE 19 -8.086 4.374 17.948
144 HG21 ILE 19 HG21 ILE 19 -11.328 3.038 19.216
145 HG22 ILE 19 HG22 ILE 19 -11.103 1.429 18.532
146 HG23 ILE 19 HG23 ILE 19 -11.363 2.809 17.466
147 HD11 ILE 19 HD11 ILE 19 -9.203 5.181 15.941
148 HD12 ILE 19 HD12 ILE 19 -10.545 4.066 16.201
149 HD13 ILE 19 HD13 ILE 19 -8.947 3.443 15.790
150 H ALA 20 HN ALA 20 -7.869 0.282 19.223
151 HA ALA 20 HA ALA 20 -9.960 -1.286 20.419
152 HB1 ALA 20 HB1 ALA 20 -8.598 -3.203 19.795
153 HB2 ALA 20 HB2 ALA 20 -7.212 -2.155 19.493
154 HB3 ALA 20 HB3 ALA 20 -8.636 -2.053 18.458
155 HN1 NH2 21 H2 NH2 21 -6.997 -0.709 23.122
156 HN2 NH2 21 H1 NH2 21 -6.980 0.087 21.622
Start of MODEL 6
1 H1 ACE 0 HA2 ACE 0 0.514 -9.875 -0.627
2 H2 ACE 0 HA3 ACE 0 1.146 -8.583 0.393
3 H3 ACE 0 HA1 ACE 0 2.245 -9.540 -0.600
4 H LEU 1 HN LEU 1 -0.282 -7.093 -0.647
5 HA LEU 1 HA LEU 1 -0.341 -6.614 -3.428
6 HB2 LEU 1 HB2 LEU 1 -0.954 -4.822 -1.073
7 HB3 LEU 1 HB1 LEU 1 -1.249 -4.359 -2.746
8 HG LEU 1 HG LEU 1 -2.376 -6.878 -1.489
9 HD11 LEU 1 HD11 LEU 1 -3.212 -4.854 -0.327
10 HD12 LEU 1 HD12 LEU 1 -4.486 -5.646 -1.253
11 HD13 LEU 1 HD13 LEU 1 -3.721 -4.186 -1.878
12 HD21 LEU 1 HD21 LEU 1 -2.721 -5.460 -4.131
13 HD22 LEU 1 HD22 LEU 1 -4.062 -6.393 -3.474
14 HD23 LEU 1 HD23 LEU 1 -2.527 -7.181 -3.810
15 H GLY 2 HN GLY 2 1.657 -5.291 -0.829
16 HA2 GLY 2 HA2 GLY 2 3.999 -4.787 -1.405
17 HA3 GLY 2 HA1 GLY 2 3.406 -4.031 -2.877
18 H LEU 3 HN LEU 3 1.142 -3.228 -0.755
19 HA LEU 3 HA LEU 3 2.304 -0.584 -0.259
20 HB2 LEU 3 HB2 LEU 3 -0.487 -1.651 0.244
21 HB3 LEU 3 HB1 LEU 3 0.020 0.024 0.441
22 HG LEU 3 HG LEU 3 0.161 -1.530 -2.160
23 HD11 LEU 3 HD11 LEU 3 -1.751 -0.181 -2.857
24 HD12 LEU 3 HD12 LEU 3 -1.757 0.662 -1.309
25 HD13 LEU 3 HD13 LEU 3 -2.162 -1.053 -1.380
26 HD21 LEU 3 HD21 LEU 3 1.785 0.134 -2.395
27 HD22 LEU 3 HD22 LEU 3 0.950 1.256 -1.321
28 HD23 LEU 3 HD23 LEU 3 0.356 0.994 -2.961
29 H LEU 4 HN LEU 4 2.227 -3.501 1.302
30 HA LEU 4 HA LEU 4 1.581 -2.815 3.964
31 HB2 LEU 4 HB2 LEU 4 3.248 -4.980 2.700
32 HB3 LEU 4 HB1 LEU 4 3.191 -4.819 4.453
33 HG LEU 4 HG LEU 4 1.499 -6.428 3.515
34 HD11 LEU 4 HD11 LEU 4 -0.078 -5.899 5.115
35 HD12 LEU 4 HD12 LEU 4 -0.115 -4.190 4.692
36 HD13 LEU 4 HD13 LEU 4 1.214 -4.833 5.656
37 HD21 LEU 4 HD21 LEU 4 1.114 -4.987 1.449
38 HD22 LEU 4 HD22 LEU 4 0.117 -3.947 2.466
39 HD23 LEU 4 HD23 LEU 4 -0.343 -5.629 2.208
40 H SER 5 HN SER 5 4.641 -2.718 2.170
41 HA SER 5 HA SER 5 6.303 -2.020 4.337
42 HB2 SER 5 HB2 SER 5 7.397 -2.703 2.356
43 HB3 SER 5 HB1 SER 5 6.497 -1.563 1.362
44 HG SER 5 HG SER 5 8.811 -1.119 2.202
45 H TYR 6 HN TYR 6 4.530 -0.016 1.998
46 HA TYR 6 HA TYR 6 5.408 2.480 3.025
47 HB2 TYR 6 HB2 TYR 6 2.980 1.709 1.396
48 HB3 TYR 6 HB1 TYR 6 3.400 3.376 1.793
49 HD1 TYR 6 HD1 TYR 6 4.492 0.337 -0.026
50 HD2 TYR 6 HD2 TYR 6 5.257 4.493 0.746
51 HE1 TYR 6 HE1 TYR 6 6.101 0.393 -1.913
52 HE2 TYR 6 HE2 TYR 6 6.865 4.548 -1.140
53 HH TYR 6 HH TYR 6 7.981 1.685 -2.686
54 H GLY 7 HN GLY 7 2.543 0.488 3.664
55 HA2 GLY 7 HA2 GLY 7 1.587 2.383 5.692
56 HA3 GLY 7 HA1 GLY 7 0.730 0.969 5.096
57 H ALA 8 HN ALA 8 4.068 0.689 6.018
58 HA ALA 8 HA ALA 8 3.596 -1.426 7.806
59 HB1 ALA 8 HB1 ALA 8 5.930 -1.270 8.372
60 HB2 ALA 8 HB2 ALA 8 6.015 0.386 7.771
61 HB3 ALA 8 HB3 ALA 8 5.762 -0.950 6.646
62 H GLY 9 HN GLY 9 1.850 -0.431 9.111
63 HA2 GLY 9 HA2 GLY 9 1.204 0.171 11.239
64 HA3 GLY 9 HA1 GLY 9 2.891 0.410 11.648
65 H VAL 10 HN VAL 10 1.546 2.054 8.909
66 HA VAL 10 HA VAL 10 2.288 4.597 9.889
67 HB VAL 10 HB VAL 10 0.563 3.731 7.575
68 HG11 VAL 10 HG11 VAL 10 1.015 6.145 6.783
69 HG12 VAL 10 HG12 VAL 10 1.416 6.497 8.465
70 HG13 VAL 10 HG13 VAL 10 -0.204 5.944 8.044
71 HG21 VAL 10 HG21 VAL 10 3.386 4.820 7.809
72 HG22 VAL 10 HG22 VAL 10 2.565 4.458 6.291
73 HG23 VAL 10 HG23 VAL 10 2.943 3.158 7.423
74 H ALA 11 HN ALA 11 -0.948 3.123 9.518
75 HA ALA 11 HA ALA 11 -1.954 4.656 11.750
76 HB1 ALA 11 HB1 ALA 11 -2.121 6.428 10.165
77 HB2 ALA 11 HB2 ALA 11 -3.748 5.774 10.353
78 HB3 ALA 11 HB3 ALA 11 -2.787 5.354 8.935
79 H SER 12 HN SER 12 -2.465 2.383 9.140
80 HA SER 12 HA SER 12 -5.117 1.641 9.704
81 HB2 SER 12 HB2 SER 12 -2.802 0.099 8.523
82 HB3 SER 12 HB1 SER 12 -4.420 -0.579 8.682
83 HG SER 12 HG SER 12 -5.031 1.522 7.580
84 H LEU 13 HN LEU 13 -2.087 0.915 11.266
85 HA LEU 13 HA LEU 13 -3.393 -1.068 13.023
86 HB2 LEU 13 HB2 LEU 13 -0.759 -0.818 11.839
87 HB3 LEU 13 HB1 LEU 13 -0.605 -0.945 13.589
88 HG LEU 13 HG LEU 13 -2.149 -2.973 13.455
89 HD11 LEU 13 HD11 LEU 13 -2.186 -4.070 11.186
90 HD12 LEU 13 HD12 LEU 13 -1.563 -2.567 10.506
91 HD13 LEU 13 HD13 LEU 13 -3.149 -2.597 11.276
92 HD21 LEU 13 HD21 LEU 13 0.216 -3.305 13.770
93 HD22 LEU 13 HD22 LEU 13 0.547 -2.963 12.072
94 HD23 LEU 13 HD23 LEU 13 -0.304 -4.440 12.524
95 HA PRO 14 HA PRO 14 -1.165 2.033 16.149
96 HB2 PRO 14 HB2 PRO 14 -1.486 4.477 14.434
97 HB3 PRO 14 HB1 PRO 14 -0.220 4.087 15.617
98 HG2 PRO 14 HG2 PRO 14 0.234 3.895 13.002
99 HG3 PRO 14 HG1 PRO 14 0.922 2.727 14.146
100 HD2 PRO 14 HD2 PRO 14 -1.338 2.361 12.229
101 HD3 PRO 14 HD1 PRO 14 -0.165 1.185 12.829
102 H LEU 15 HN LEU 15 -3.687 3.242 13.912
103 HA LEU 15 HA LEU 15 -5.177 4.654 15.844
104 HB2 LEU 15 HB2 LEU 15 -6.010 3.353 13.249
105 HB3 LEU 15 HB1 LEU 15 -7.090 4.349 14.220
106 HG LEU 15 HG LEU 15 -4.398 5.286 13.182
107 HD11 LEU 15 HD11 LEU 15 -7.192 5.621 12.065
108 HD12 LEU 15 HD12 LEU 15 -5.798 4.889 11.270
109 HD13 LEU 15 HD13 LEU 15 -5.829 6.626 11.575
110 HD21 LEU 15 HD21 LEU 15 -6.627 6.548 14.768
111 HD22 LEU 15 HD22 LEU 15 -5.742 7.556 13.625
112 HD23 LEU 15 HD23 LEU 15 -4.883 6.750 14.930
113 H LEU 16 HN LEU 16 -5.377 1.298 14.735
114 HA LEU 16 HA LEU 16 -7.660 0.581 16.241
115 HB2 LEU 16 HB2 LEU 16 -5.390 -0.944 14.982
116 HB3 LEU 16 HB1 LEU 16 -6.553 -1.787 16.007
117 HG LEU 16 HG LEU 16 -8.397 -1.080 14.602
118 HD11 LEU 16 HD11 LEU 16 -7.788 0.211 12.453
119 HD12 LEU 16 HD12 LEU 16 -6.271 0.600 13.263
120 HD13 LEU 16 HD13 LEU 16 -7.800 1.129 13.960
121 HD21 LEU 16 HD21 LEU 16 -7.164 -3.070 13.851
122 HD22 LEU 16 HD22 LEU 16 -6.055 -2.049 12.934
123 HD23 LEU 16 HD23 LEU 16 -7.750 -2.156 12.460
124 H ASN 17 HN ASN 17 -4.207 0.568 16.978
125 HA ASN 17 HA ASN 17 -4.326 -0.786 19.441
126 HB2 ASN 17 HB2 ASN 17 -2.219 -0.359 18.257
127 HB3 ASN 17 HB1 ASN 17 -2.405 1.372 18.540
128 HD21 ASN 17 HD21 ASN 17 -0.759 -1.240 19.716
129 HD22 ASN 17 HD22 ASN 17 -0.596 -0.771 21.340
130 H VAL 18 HN VAL 18 -4.714 2.639 18.621
131 HA VAL 18 HA VAL 18 -4.761 3.655 21.249
132 HB VAL 18 HB VAL 18 -6.048 4.651 18.697
133 HG11 VAL 18 HG11 VAL 18 -5.859 5.911 21.445
134 HG12 VAL 18 HG12 VAL 18 -7.311 5.646 20.477
135 HG13 VAL 18 HG13 VAL 18 -6.127 6.854 19.980
136 HG21 VAL 18 HG21 VAL 18 -3.557 4.558 18.792
137 HG22 VAL 18 HG22 VAL 18 -3.599 5.565 20.237
138 HG23 VAL 18 HG23 VAL 18 -4.164 6.209 18.695
139 H ILE 19 HN ILE 19 -7.405 2.575 19.113
140 HA ILE 19 HA ILE 19 -9.486 3.064 20.981
141 HB ILE 19 HB ILE 19 -9.428 1.012 18.757
142 HG12 ILE 19 HG12 ILE 19 -8.868 3.198 17.838
143 HG13 ILE 19 HG11 ILE 19 -10.529 2.808 17.408
144 HG21 ILE 19 HG21 ILE 19 -11.686 2.387 20.236
145 HG22 ILE 19 HG22 ILE 19 -11.286 0.670 20.272
146 HG23 ILE 19 HG23 ILE 19 -11.901 1.402 18.789
147 HD11 ILE 19 HD11 ILE 19 -10.692 5.034 18.137
148 HD12 ILE 19 HD12 ILE 19 -9.524 4.797 19.434
149 HD13 ILE 19 HD13 ILE 19 -11.149 4.131 19.579
150 H ALA 20 HN ALA 20 -7.550 0.202 20.204
151 HA ALA 20 HA ALA 20 -8.868 -1.454 22.159
152 HB1 ALA 20 HB1 ALA 20 -7.346 -3.151 21.512
153 HB2 ALA 20 HB2 ALA 20 -6.169 -1.981 20.918
154 HB3 ALA 20 HB3 ALA 20 -7.674 -2.244 20.036
155 HN1 NH2 21 H2 NH2 21 -5.745 0.481 23.850
156 HN2 NH2 21 H1 NH2 21 -6.256 0.843 22.272
Start of MODEL 7
1 H1 ACE 0 HA2 ACE 0 3.889 -2.300 -5.606
2 H2 ACE 0 HA3 ACE 0 4.411 -1.424 -4.167
3 H3 ACE 0 HA1 ACE 0 2.769 -2.058 -4.264
4 H LEU 1 HN LEU 1 5.324 -2.530 -2.539
5 HA LEU 1 HA LEU 1 6.094 -5.228 -2.864
6 HB2 LEU 1 HB2 LEU 1 6.079 -3.424 -0.436
7 HB3 LEU 1 HB1 LEU 1 6.797 -5.032 -0.446
8 HG LEU 1 HG LEU 1 7.562 -2.850 -2.407
9 HD11 LEU 1 HD11 LEU 1 9.577 -2.545 -0.989
10 HD12 LEU 1 HD12 LEU 1 8.897 -3.662 0.194
11 HD13 LEU 1 HD13 LEU 1 8.096 -2.123 -0.127
12 HD21 LEU 1 HD21 LEU 1 8.311 -4.854 -3.357
13 HD22 LEU 1 HD22 LEU 1 8.566 -5.629 -1.796
14 HD23 LEU 1 HD23 LEU 1 9.704 -4.416 -2.375
15 H GLY 2 HN GLY 2 3.500 -3.671 -1.054
16 HA2 GLY 2 HA2 GLY 2 1.383 -4.738 -0.706
17 HA3 GLY 2 HA1 GLY 2 2.197 -6.300 -0.689
18 H LEU 3 HN LEU 3 4.227 -4.411 0.909
19 HA LEU 3 HA LEU 3 3.216 -5.246 3.544
20 HB2 LEU 3 HB2 LEU 3 5.906 -4.127 2.717
21 HB3 LEU 3 HB1 LEU 3 5.484 -4.676 4.337
22 HG LEU 3 HG LEU 3 5.412 -6.412 1.850
23 HD11 LEU 3 HD11 LEU 3 7.391 -6.389 4.148
24 HD12 LEU 3 HD12 LEU 3 7.706 -5.716 2.548
25 HD13 LEU 3 HD13 LEU 3 7.436 -7.449 2.738
26 HD21 LEU 3 HD21 LEU 3 3.899 -7.437 3.315
27 HD22 LEU 3 HD22 LEU 3 4.736 -6.858 4.757
28 HD23 LEU 3 HD23 LEU 3 5.408 -8.193 3.823
29 H LEU 4 HN LEU 4 3.065 -2.574 1.572
30 HA LEU 4 HA LEU 4 3.538 -0.438 3.367
31 HB2 LEU 4 HB2 LEU 4 1.734 -0.659 0.947
32 HB3 LEU 4 HB1 LEU 4 2.025 0.848 1.810
33 HG LEU 4 HG LEU 4 4.229 -0.867 0.623
34 HD11 LEU 4 HD11 LEU 4 2.683 0.013 -1.117
35 HD12 LEU 4 HD12 LEU 4 4.286 0.741 -1.222
36 HD13 LEU 4 HD13 LEU 4 2.952 1.643 -0.503
37 HD21 LEU 4 HD21 LEU 4 5.286 0.503 2.202
38 HD22 LEU 4 HD22 LEU 4 4.116 1.809 2.014
39 HD23 LEU 4 HD23 LEU 4 5.345 1.539 0.780
40 H SER 5 HN SER 5 0.671 -2.350 2.611
41 HA SER 5 HA SER 5 -1.043 -0.872 4.396
42 HB2 SER 5 HB2 SER 5 -1.381 -3.468 2.891
43 HB3 SER 5 HB1 SER 5 -2.637 -2.771 3.912
44 HG SER 5 HG SER 5 -1.343 -1.339 1.837
45 H TYR 6 HN TYR 6 1.410 -3.029 4.929
46 HA TYR 6 HA TYR 6 0.403 -4.817 6.846
47 HB2 TYR 6 HB2 TYR 6 2.685 -4.893 5.791
48 HB3 TYR 6 HB1 TYR 6 3.152 -3.553 6.835
49 HD1 TYR 6 HD2 TYR 6 3.280 -3.843 9.287
50 HD2 TYR 6 HD1 TYR 6 2.353 -7.119 6.668
51 HE1 TYR 6 HE2 TYR 6 3.751 -5.444 11.122
52 HE2 TYR 6 HE1 TYR 6 2.826 -8.719 8.499
53 HH TYR 6 HH TYR 6 4.367 -8.573 10.717
54 H GLY 7 HN GLY 7 1.779 -1.565 7.203
55 HA2 GLY 7 HA2 GLY 7 0.412 -0.235 8.936
56 HA3 GLY 7 HA1 GLY 7 0.941 -1.501 10.041
57 H ALA 8 HN ALA 8 2.905 -0.211 7.424
58 HA ALA 8 HA ALA 8 5.070 0.363 9.223
59 HB1 ALA 8 HB1 ALA 8 5.420 -0.447 6.903
60 HB2 ALA 8 HB2 ALA 8 6.268 1.066 7.222
61 HB3 ALA 8 HB3 ALA 8 4.767 1.075 6.295
62 H GLY 9 HN GLY 9 2.324 2.079 8.238
63 HA2 GLY 9 HA2 GLY 9 2.576 4.281 9.793
64 HA3 GLY 9 HA1 GLY 9 3.489 4.730 8.356
65 H VAL 10 HN VAL 10 0.680 2.627 8.299
66 HA VAL 10 HA VAL 10 -0.611 4.116 6.268
67 HB VAL 10 HB VAL 10 -1.724 2.015 8.142
68 HG11 VAL 10 HG11 VAL 10 -3.409 1.715 6.320
69 HG12 VAL 10 HG12 VAL 10 -2.742 3.134 5.513
70 HG13 VAL 10 HG13 VAL 10 -3.516 3.297 7.088
71 HG21 VAL 10 HG21 VAL 10 -0.648 1.780 5.314
72 HG22 VAL 10 HG22 VAL 10 -1.247 0.462 6.319
73 HG23 VAL 10 HG23 VAL 10 0.238 1.304 6.762
74 H ALA 11 HN ALA 11 -1.095 3.863 9.763
75 HA ALA 11 HA ALA 11 -1.925 5.447 11.235
76 HB1 ALA 11 HB1 ALA 11 -3.116 7.120 9.043
77 HB2 ALA 11 HB2 ALA 11 -1.365 7.109 9.239
78 HB3 ALA 11 HB3 ALA 11 -2.396 7.620 10.573
79 H SER 12 HN SER 12 -3.489 3.715 8.847
80 HA SER 12 HA SER 12 -6.188 4.175 9.973
81 HB2 SER 12 HB2 SER 12 -5.653 4.193 7.420
82 HB3 SER 12 HB1 SER 12 -5.618 2.439 7.582
83 HG SER 12 HG SER 12 -7.729 3.215 8.892
84 H LEU 13 HN LEU 13 -3.854 2.586 11.120
85 HA LEU 13 HA LEU 13 -5.438 0.409 12.084
86 HB2 LEU 13 HB2 LEU 13 -4.041 -0.141 9.734
87 HB3 LEU 13 HB1 LEU 13 -2.972 -0.775 10.979
88 HG LEU 13 HG LEU 13 -5.102 -1.901 11.954
89 HD11 LEU 13 HD11 LEU 13 -6.734 -2.488 10.092
90 HD12 LEU 13 HD12 LEU 13 -6.019 -1.176 9.158
91 HD13 LEU 13 HD13 LEU 13 -6.832 -0.833 10.686
92 HD21 LEU 13 HD21 LEU 13 -3.925 -2.791 9.301
93 HD22 LEU 13 HD22 LEU 13 -4.822 -3.830 10.411
94 HD23 LEU 13 HD23 LEU 13 -3.271 -3.147 10.901
95 HA PRO 14 HA PRO 14 -1.036 0.445 14.201
96 HB2 PRO 14 HB2 PRO 14 -0.176 3.210 13.440
97 HB3 PRO 14 HB1 PRO 14 0.795 1.731 13.597
98 HG2 PRO 14 HG2 PRO 14 0.204 2.692 11.204
99 HG3 PRO 14 HG1 PRO 14 0.163 0.944 11.505
100 HD2 PRO 14 HD2 PRO 14 -2.129 2.881 11.342
101 HD3 PRO 14 HD1 PRO 14 -1.999 1.248 10.654
102 H LEU 15 HN LEU 15 -2.479 3.693 13.824
103 HA LEU 15 HA LEU 15 -2.315 4.399 16.563
104 HB2 LEU 15 HB2 LEU 15 -4.082 5.403 14.324
105 HB3 LEU 15 HB1 LEU 15 -4.042 6.129 15.928
106 HG LEU 15 HG LEU 15 -1.585 5.771 14.186
107 HD11 LEU 15 HD11 LEU 15 -3.440 8.143 14.520
108 HD12 LEU 15 HD12 LEU 15 -3.065 7.281 13.027
109 HD13 LEU 15 HD13 LEU 15 -1.827 8.259 13.815
110 HD21 LEU 15 HD21 LEU 15 -0.901 7.758 15.820
111 HD22 LEU 15 HD22 LEU 15 -0.765 6.089 16.354
112 HD23 LEU 15 HD23 LEU 15 -2.148 7.062 16.853
113 H LEU 16 HN LEU 16 -4.868 2.947 14.605
114 HA LEU 16 HA LEU 16 -6.890 2.939 16.574
115 HB2 LEU 16 HB2 LEU 16 -6.522 0.941 14.332
116 HB3 LEU 16 HB1 LEU 16 -8.027 1.359 15.150
117 HG LEU 16 HG LEU 16 -6.343 3.271 13.504
118 HD11 LEU 16 HD11 LEU 16 -7.405 1.685 12.040
119 HD12 LEU 16 HD12 LEU 16 -8.360 3.167 11.975
120 HD13 LEU 16 HD13 LEU 16 -8.924 1.794 12.926
121 HD21 LEU 16 HD21 LEU 16 -8.887 3.566 15.107
122 HD22 LEU 16 HD22 LEU 16 -8.582 4.608 13.717
123 HD23 LEU 16 HD23 LEU 16 -7.468 4.614 15.081
124 H ASN 17 HN ASN 17 -4.367 0.595 15.754
125 HA ASN 17 HA ASN 17 -5.245 -1.501 17.413
126 HB2 ASN 17 HB2 ASN 17 -3.469 -1.645 15.632
127 HB3 ASN 17 HB1 ASN 17 -2.371 -0.842 16.753
128 HD21 ASN 17 HD21 ASN 17 -0.982 -2.641 17.182
129 HD22 ASN 17 HD22 ASN 17 -1.523 -4.062 17.935
130 H VAL 18 HN VAL 18 -3.100 1.254 18.060
131 HA VAL 18 HA VAL 18 -2.344 0.485 20.675
132 HB VAL 18 HB VAL 18 -2.534 3.210 19.368
133 HG11 VAL 18 HG11 VAL 18 -2.629 3.622 21.720
134 HG12 VAL 18 HG12 VAL 18 -0.938 3.839 21.264
135 HG13 VAL 18 HG13 VAL 18 -1.453 2.352 22.060
136 HG21 VAL 18 HG21 VAL 18 -0.895 1.722 18.342
137 HG22 VAL 18 HG22 VAL 18 -0.241 1.302 19.923
138 HG23 VAL 18 HG23 VAL 18 -0.048 2.938 19.295
139 H ILE 19 HN ILE 19 -4.955 2.575 19.470
140 HA ILE 19 HA ILE 19 -6.032 3.226 22.010
141 HB ILE 19 HB ILE 19 -7.296 3.150 19.257
142 HG12 ILE 19 HG12 ILE 19 -6.403 5.497 20.956
143 HG13 ILE 19 HG11 ILE 19 -5.379 4.747 19.731
144 HG21 ILE 19 HG21 ILE 19 -9.109 3.004 20.808
145 HG22 ILE 19 HG22 ILE 19 -8.980 4.712 20.393
146 HG23 ILE 19 HG23 ILE 19 -8.337 4.127 21.927
147 HD11 ILE 19 HD11 ILE 19 -6.493 6.638 18.711
148 HD12 ILE 19 HD12 ILE 19 -8.064 6.081 19.289
149 HD13 ILE 19 HD13 ILE 19 -7.206 5.167 18.049
150 H ALA 20 HN ALA 20 -6.756 0.685 19.657
151 HA ALA 20 HA ALA 20 -8.842 -0.481 21.283
152 HB1 ALA 20 HB1 ALA 20 -8.703 -2.324 19.558
153 HB2 ALA 20 HB2 ALA 20 -7.432 -1.391 18.769
154 HB3 ALA 20 HB3 ALA 20 -9.059 -0.722 18.909
155 HN1 NH2 21 H2 NH2 21 -5.270 -2.145 22.165
156 HN2 NH2 21 H1 NH2 21 -5.389 -0.752 21.205
Start of MODEL 8
1 H1 ACE 0 HA2 ACE 0 6.022 -3.715 -3.248
2 H2 ACE 0 HA3 ACE 0 6.599 -5.365 -3.481
3 H3 ACE 0 HA1 ACE 0 6.099 -4.823 -1.878
4 H LEU 1 HN LEU 1 4.323 -5.991 -1.395
5 HA LEU 1 HA LEU 1 2.447 -6.981 -3.262
6 HB2 LEU 1 HB2 LEU 1 2.257 -6.507 -0.282
7 HB3 LEU 1 HB1 LEU 1 1.004 -7.319 -1.214
8 HG LEU 1 HG LEU 1 3.901 -8.216 -1.186
9 HD11 LEU 1 HD11 LEU 1 3.201 -9.939 0.422
10 HD12 LEU 1 HD12 LEU 1 1.573 -9.262 0.454
11 HD13 LEU 1 HD13 LEU 1 2.929 -8.328 1.086
12 HD21 LEU 1 HD21 LEU 1 1.323 -9.320 -2.306
13 HD22 LEU 1 HD22 LEU 1 2.603 -10.430 -1.824
14 HD23 LEU 1 HD23 LEU 1 2.912 -9.221 -3.063
15 H GLY 2 HN GLY 2 2.463 -4.086 -1.221
16 HA2 GLY 2 HA2 GLY 2 1.388 -2.156 -2.588
17 HA3 GLY 2 HA1 GLY 2 -0.051 -3.162 -2.462
18 H LEU 3 HN LEU 3 1.318 -3.947 0.256
19 HA LEU 3 HA LEU 3 -0.208 -2.026 1.833
20 HB2 LEU 3 HB2 LEU 3 1.387 -4.459 2.676
21 HB3 LEU 3 HB1 LEU 3 0.322 -3.517 3.717
22 HG LEU 3 HG LEU 3 -0.560 -4.960 1.196
23 HD11 LEU 3 HD11 LEU 3 0.053 -6.583 2.886
24 HD12 LEU 3 HD12 LEU 3 -1.707 -6.483 2.842
25 HD13 LEU 3 HD13 LEU 3 -0.810 -5.681 4.131
26 HD21 LEU 3 HD21 LEU 3 -1.959 -3.247 3.250
27 HD22 LEU 3 HD22 LEU 3 -2.848 -4.542 2.450
28 HD23 LEU 3 HD23 LEU 3 -2.134 -3.247 1.496
29 H LEU 4 HN LEU 4 2.871 -2.166 0.604
30 HA LEU 4 HA LEU 4 4.482 -1.347 2.763
31 HB2 LEU 4 HB2 LEU 4 5.450 -2.132 0.669
32 HB3 LEU 4 HB1 LEU 4 4.738 -0.778 -0.202
33 HG LEU 4 HG LEU 4 6.116 0.804 1.061
34 HD11 LEU 4 HD11 LEU 4 6.878 -1.682 2.590
35 HD12 LEU 4 HD12 LEU 4 6.392 -0.105 3.211
36 HD13 LEU 4 HD13 LEU 4 7.991 -0.316 2.505
37 HD21 LEU 4 HD21 LEU 4 7.808 -1.505 0.059
38 HD22 LEU 4 HD22 LEU 4 8.281 0.192 0.140
39 HD23 LEU 4 HD23 LEU 4 7.026 -0.320 -0.988
40 H SER 5 HN SER 5 2.591 0.504 0.399
41 HA SER 5 HA SER 5 3.406 3.076 1.204
42 HB2 SER 5 HB2 SER 5 2.258 2.927 -0.858
43 HB3 SER 5 HB1 SER 5 0.916 2.039 -0.143
44 HG SER 5 HG SER 5 1.648 4.748 0.288
45 H TYR 6 HN TYR 6 0.725 1.021 2.290
46 HA TYR 6 HA TYR 6 -0.330 2.956 4.113
47 HB2 TYR 6 HB2 TYR 6 -0.717 -0.037 3.923
48 HB3 TYR 6 HB1 TYR 6 -1.623 1.017 5.010
49 HD1 TYR 6 HD1 TYR 6 -0.983 0.150 1.472
50 HD2 TYR 6 HD2 TYR 6 -3.311 2.542 4.177
51 HE1 TYR 6 HE1 TYR 6 -2.543 0.713 -0.369
52 HE2 TYR 6 HE2 TYR 6 -4.871 3.107 2.334
53 HH TYR 6 HH TYR 6 -5.500 2.559 0.225
54 H GLY 7 HN GLY 7 2.602 1.832 4.215
55 HA2 GLY 7 HA2 GLY 7 4.136 1.883 5.970
56 HA3 GLY 7 HA1 GLY 7 2.795 2.002 7.105
57 H ALA 8 HN ALA 8 2.817 -0.496 4.680
58 HA ALA 8 HA ALA 8 2.884 -2.785 4.848
59 HB1 ALA 8 HB1 ALA 8 4.685 -3.740 6.123
60 HB2 ALA 8 HB2 ALA 8 4.811 -2.298 7.128
61 HB3 ALA 8 HB3 ALA 8 5.267 -2.230 5.426
62 H GLY 9 HN GLY 9 3.432 -2.037 8.284
63 HA2 GLY 9 HA2 GLY 9 0.690 -2.629 8.978
64 HA3 GLY 9 HA1 GLY 9 1.826 -3.885 9.447
65 H VAL 10 HN VAL 10 3.198 -0.786 9.429
66 HA VAL 10 HA VAL 10 3.622 -0.815 12.254
67 HB VAL 10 HB VAL 10 4.864 1.202 11.906
68 HG11 VAL 10 HG11 VAL 10 6.453 0.444 10.275
69 HG12 VAL 10 HG12 VAL 10 5.217 -0.473 9.413
70 HG13 VAL 10 HG13 VAL 10 5.751 -1.000 11.009
71 HG21 VAL 10 HG21 VAL 10 4.831 2.216 9.537
72 HG22 VAL 10 HG22 VAL 10 3.437 2.546 10.563
73 HG23 VAL 10 HG23 VAL 10 3.334 1.315 9.304
74 H ALA 11 HN ALA 11 1.638 1.180 10.084
75 HA ALA 11 HA ALA 11 0.505 2.669 12.318
76 HB1 ALA 11 HB1 ALA 11 0.860 3.954 10.341
77 HB2 ALA 11 HB2 ALA 11 -0.883 3.706 10.455
78 HB3 ALA 11 HB3 ALA 11 0.075 2.741 9.330
79 H SER 12 HN SER 12 0.099 -0.336 11.305
80 HA SER 12 HA SER 12 -2.839 -0.405 11.309
81 HB2 SER 12 HB2 SER 12 -0.736 -2.509 10.788
82 HB3 SER 12 HB1 SER 12 -2.464 -2.840 10.816
83 HG SER 12 HG SER 12 -2.687 -1.261 9.159
84 H LEU 13 HN LEU 13 -1.275 0.267 13.736
85 HA LEU 13 HA LEU 13 -2.634 -1.555 15.512
86 HB2 LEU 13 HB2 LEU 13 0.135 -2.018 14.862
87 HB3 LEU 13 HB1 LEU 13 0.048 -1.535 16.552
88 HG LEU 13 HG LEU 13 -1.748 -3.687 15.394
89 HD11 LEU 13 HD11 LEU 13 -0.096 -5.261 16.522
90 HD12 LEU 13 HD12 LEU 13 1.020 -3.897 16.603
91 HD13 LEU 13 HD13 LEU 13 0.477 -4.501 15.037
92 HD21 LEU 13 HD21 LEU 13 -0.800 -3.144 18.226
93 HD22 LEU 13 HD22 LEU 13 -2.038 -4.294 17.728
94 HD23 LEU 13 HD23 LEU 13 -2.334 -2.563 17.583
95 HA PRO 14 HA PRO 14 -0.612 2.058 18.084
96 HB2 PRO 14 HB2 PRO 14 0.033 3.951 15.857
97 HB3 PRO 14 HB1 PRO 14 0.931 3.622 17.352
98 HG2 PRO 14 HG2 PRO 14 1.791 2.699 15.013
99 HG3 PRO 14 HG1 PRO 14 1.929 1.720 16.487
100 HD2 PRO 14 HD2 PRO 14 -0.052 1.477 14.243
101 HD3 PRO 14 HD1 PRO 14 0.766 0.200 15.165
102 H LEU 15 HN LEU 15 -1.983 3.229 14.991
103 HA LEU 15 HA LEU 15 -3.715 5.131 16.168
104 HB2 LEU 15 HB2 LEU 15 -3.631 3.776 13.479
105 HB3 LEU 15 HB1 LEU 15 -4.924 4.896 13.889
106 HG LEU 15 HG LEU 15 -2.003 5.639 14.195
107 HD11 LEU 15 HD11 LEU 15 -2.445 4.978 11.844
108 HD12 LEU 15 HD12 LEU 15 -2.143 6.709 11.989
109 HD13 LEU 15 HD13 LEU 15 -3.792 6.115 11.791
110 HD21 LEU 15 HD21 LEU 15 -4.626 7.154 14.125
111 HD22 LEU 15 HD22 LEU 15 -3.102 7.962 13.774
112 HD23 LEU 15 HD23 LEU 15 -3.357 7.218 15.345
113 H LEU 16 HN LEU 16 -4.182 1.782 15.137
114 HA LEU 16 HA LEU 16 -6.957 1.635 15.645
115 HB2 LEU 16 HB2 LEU 16 -4.844 -0.532 15.700
116 HB3 LEU 16 HB1 LEU 16 -6.582 -0.821 15.695
117 HG LEU 16 HG LEU 16 -5.068 0.675 13.531
118 HD11 LEU 16 HD11 LEU 16 -6.356 -2.047 13.300
119 HD12 LEU 16 HD12 LEU 16 -4.671 -1.860 13.786
120 HD13 LEU 16 HD13 LEU 16 -5.202 -1.288 12.204
121 HD21 LEU 16 HD21 LEU 16 -7.368 0.075 12.343
122 HD22 LEU 16 HD22 LEU 16 -7.245 1.501 13.365
123 HD23 LEU 16 HD23 LEU 16 -7.972 0.025 14.001
124 H ASN 17 HN ASN 17 -4.121 1.005 17.642
125 HA ASN 17 HA ASN 17 -5.442 -0.063 19.887
126 HB2 ASN 17 HB2 ASN 17 -2.829 1.403 19.536
127 HB3 ASN 17 HB1 ASN 17 -3.371 0.852 21.120
128 HD21 ASN 17 HD21 ASN 17 -1.018 -0.242 19.949
129 HD22 ASN 17 HD22 ASN 17 -1.318 -1.864 19.547
130 H VAL 18 HN VAL 18 -4.671 3.287 18.991
131 HA VAL 18 HA VAL 18 -5.539 4.493 21.399
132 HB VAL 18 HB VAL 18 -5.394 5.551 18.565
133 HG11 VAL 18 HG11 VAL 18 -5.446 7.805 19.780
134 HG12 VAL 18 HG12 VAL 18 -6.059 6.924 21.180
135 HG13 VAL 18 HG13 VAL 18 -6.984 6.946 19.677
136 HG21 VAL 18 HG21 VAL 18 -3.323 6.528 19.269
137 HG22 VAL 18 HG22 VAL 18 -3.281 4.851 19.812
138 HG23 VAL 18 HG23 VAL 18 -3.638 6.141 20.960
139 H ILE 19 HN ILE 19 -7.204 3.849 18.326
140 HA ILE 19 HA ILE 19 -9.709 4.937 19.082
141 HB ILE 19 HB ILE 19 -8.955 2.845 17.027
142 HG12 ILE 19 HG12 ILE 19 -9.783 5.738 16.682
143 HG13 ILE 19 HG11 ILE 19 -8.100 5.226 16.809
144 HG21 ILE 19 HG21 ILE 19 -11.594 4.218 17.604
145 HG22 ILE 19 HG22 ILE 19 -11.278 2.484 17.518
146 HG23 ILE 19 HG23 ILE 19 -11.228 3.463 16.053
147 HD11 ILE 19 HD11 ILE 19 -8.688 5.387 14.455
148 HD12 ILE 19 HD12 ILE 19 -10.096 4.354 14.700
149 HD13 ILE 19 HD13 ILE 19 -8.473 3.687 14.871
150 H ALA 20 HN ALA 20 -8.350 1.673 19.212
151 HA ALA 20 HA ALA 20 -10.737 0.555 20.428
152 HB1 ALA 20 HB1 ALA 20 -9.480 -0.890 18.975
153 HB2 ALA 20 HB2 ALA 20 -9.289 -1.500 20.619
154 HB3 ALA 20 HB3 ALA 20 -7.989 -0.576 19.865
155 HN1 NH2 21 H2 NH2 21 -8.304 1.911 23.272
156 HN2 NH2 21 H1 NH2 21 -8.291 2.473 21.671
Start of MODEL 9
1 H1 ACE 0 HA2 ACE 0 2.460 -3.284 -3.796
2 H2 ACE 0 HA3 ACE 0 1.726 -2.954 -2.227
3 H3 ACE 0 HA1 ACE 0 0.722 -3.485 -3.577
4 H LEU 1 HN LEU 1 3.866 -4.699 -2.473
5 HA LEU 1 HA LEU 1 3.189 -7.419 -2.778
6 HB2 LEU 1 HB2 LEU 1 5.346 -6.056 -1.159
7 HB3 LEU 1 HB1 LEU 1 5.250 -7.802 -1.365
8 HG LEU 1 HG LEU 1 5.354 -5.857 -3.689
9 HD11 LEU 1 HD11 LEU 1 7.385 -5.657 -2.293
10 HD12 LEU 1 HD12 LEU 1 7.747 -6.401 -3.850
11 HD13 LEU 1 HD13 LEU 1 7.627 -7.402 -2.401
12 HD21 LEU 1 HD21 LEU 1 5.502 -8.861 -3.393
13 HD22 LEU 1 HD22 LEU 1 6.314 -8.076 -4.745
14 HD23 LEU 1 HD23 LEU 1 4.576 -7.902 -4.546
15 H GLY 2 HN GLY 2 3.183 -5.273 0.039
16 HA2 GLY 2 HA2 GLY 2 1.052 -6.166 1.411
17 HA3 GLY 2 HA1 GLY 2 2.262 -7.381 1.818
18 H LEU 3 HN LEU 3 4.495 -5.559 1.725
19 HA LEU 3 HA LEU 3 4.529 -4.698 4.413
20 HB2 LEU 3 HB2 LEU 3 6.291 -3.890 2.085
21 HB3 LEU 3 HB1 LEU 3 6.648 -3.570 3.781
22 HG LEU 3 HG LEU 3 6.253 -6.325 2.575
23 HD11 LEU 3 HD11 LEU 3 8.729 -4.754 3.322
24 HD12 LEU 3 HD12 LEU 3 8.318 -5.436 1.748
25 HD13 LEU 3 HD13 LEU 3 8.741 -6.500 3.088
26 HD21 LEU 3 HD21 LEU 3 5.717 -6.643 4.819
27 HD22 LEU 3 HD22 LEU 3 6.730 -5.310 5.369
28 HD23 LEU 3 HD23 LEU 3 7.464 -6.841 4.897
29 H LEU 4 HN LEU 4 3.974 -2.988 1.374
30 HA LEU 4 HA LEU 4 3.902 -0.366 2.406
31 HB2 LEU 4 HB2 LEU 4 2.663 -1.663 -0.018
32 HB3 LEU 4 HB1 LEU 4 2.433 0.048 0.332
33 HG LEU 4 HG LEU 4 5.153 -1.276 0.138
34 HD11 LEU 4 HD11 LEU 4 3.530 0.196 -1.955
35 HD12 LEU 4 HD12 LEU 4 4.130 -1.461 -2.030
36 HD13 LEU 4 HD13 LEU 4 5.261 -0.110 -2.099
37 HD21 LEU 4 HD21 LEU 4 5.595 0.706 1.255
38 HD22 LEU 4 HD22 LEU 4 4.178 1.529 0.604
39 HD23 LEU 4 HD23 LEU 4 5.616 1.325 -0.392
40 H SER 5 HN SER 5 1.399 -2.840 2.043
41 HA SER 5 HA SER 5 -0.824 -1.262 2.731
42 HB2 SER 5 HB2 SER 5 -0.759 -3.660 1.799
43 HB3 SER 5 HB1 SER 5 -0.545 -4.171 3.470
44 HG SER 5 HG SER 5 -2.782 -3.456 2.209
45 H TYR 6 HN TYR 6 1.358 -3.211 4.765
46 HA TYR 6 HA TYR 6 0.012 -2.629 7.210
47 HB2 TYR 6 HB2 TYR 6 2.842 -3.552 6.664
48 HB3 TYR 6 HB1 TYR 6 2.135 -3.423 8.274
49 HD1 TYR 6 HD2 TYR 6 -0.286 -4.562 8.487
50 HD2 TYR 6 HD1 TYR 6 2.706 -5.631 5.597
51 HE1 TYR 6 HE2 TYR 6 -1.347 -6.788 8.208
52 HE2 TYR 6 HE1 TYR 6 1.643 -7.850 5.314
53 HH TYR 6 HH TYR 6 -0.427 -8.950 5.661
54 H GLY 7 HN GLY 7 2.707 -1.152 5.472
55 HA2 GLY 7 HA2 GLY 7 3.075 0.874 7.563
56 HA3 GLY 7 HA1 GLY 7 4.088 0.637 6.143
57 H ALA 8 HN ALA 8 0.782 0.562 5.399
58 HA ALA 8 HA ALA 8 0.841 2.757 3.677
59 HB1 ALA 8 HB1 ALA 8 -1.558 2.543 3.546
60 HB2 ALA 8 HB2 ALA 8 -1.614 1.689 5.089
61 HB3 ALA 8 HB3 ALA 8 -0.875 0.922 3.682
62 H GLY 9 HN GLY 9 1.910 4.391 4.956
63 HA2 GLY 9 HA2 GLY 9 1.634 6.553 5.824
64 HA3 GLY 9 HA1 GLY 9 0.006 6.121 6.344
65 H VAL 10 HN VAL 10 1.575 3.573 7.319
66 HA VAL 10 HA VAL 10 2.324 2.756 9.323
67 HB VAL 10 HB VAL 10 3.593 5.490 9.536
68 HG11 VAL 10 HG11 VAL 10 3.884 2.924 11.090
69 HG12 VAL 10 HG12 VAL 10 3.767 4.578 11.690
70 HG13 VAL 10 HG13 VAL 10 5.256 4.021 10.931
71 HG21 VAL 10 HG21 VAL 10 4.677 2.860 8.477
72 HG22 VAL 10 HG22 VAL 10 5.567 4.379 8.579
73 HG23 VAL 10 HG23 VAL 10 4.198 4.231 7.477
74 H ALA 11 HN ALA 11 0.188 5.301 9.124
75 HA ALA 11 HA ALA 11 -0.193 5.636 12.007
76 HB1 ALA 11 HB1 ALA 11 -0.441 7.665 10.800
77 HB2 ALA 11 HB2 ALA 11 -2.083 7.156 11.194
78 HB3 ALA 11 HB3 ALA 11 -1.447 6.901 9.568
79 H SER 12 HN SER 12 -1.007 3.395 9.756
80 HA SER 12 HA SER 12 -3.782 2.980 10.537
81 HB2 SER 12 HB2 SER 12 -3.785 1.207 8.926
82 HB3 SER 12 HB1 SER 12 -2.905 2.554 8.213
83 HG SER 12 HG SER 12 -1.975 0.103 9.204
84 H LEU 13 HN LEU 13 -0.797 2.191 11.873
85 HA LEU 13 HA LEU 13 -1.846 -0.273 13.132
86 HB2 LEU 13 HB2 LEU 13 0.743 0.448 12.082
87 HB3 LEU 13 HB1 LEU 13 0.915 0.100 13.796
88 HG LEU 13 HG LEU 13 1.262 -1.927 12.481
89 HD11 LEU 13 HD11 LEU 13 -1.450 -2.489 13.607
90 HD12 LEU 13 HD12 LEU 13 -0.252 -1.807 14.707
91 HD13 LEU 13 HD13 LEU 13 0.082 -3.317 13.867
92 HD21 LEU 13 HD21 LEU 13 -0.194 -2.738 10.855
93 HD22 LEU 13 HD22 LEU 13 -0.382 -1.002 10.624
94 HD23 LEU 13 HD23 LEU 13 -1.595 -1.909 11.530
95 HA PRO 14 HA PRO 14 -0.126 2.431 16.834
96 HB2 PRO 14 HB2 PRO 14 -0.570 5.138 15.631
97 HB3 PRO 14 HB1 PRO 14 0.729 4.581 16.704
98 HG2 PRO 14 HG2 PRO 14 1.163 4.981 14.107
99 HG3 PRO 14 HG1 PRO 14 1.935 3.640 14.974
100 HD2 PRO 14 HD2 PRO 14 -0.387 3.568 13.075
101 HD3 PRO 14 HD1 PRO 14 0.923 2.395 13.303
102 H LEU 15 HN LEU 15 -2.533 4.085 14.770
103 HA LEU 15 HA LEU 15 -4.282 4.797 16.872
104 HB2 LEU 15 HB2 LEU 15 -4.745 4.423 13.910
105 HB3 LEU 15 HB1 LEU 15 -5.972 5.048 15.008
106 HG LEU 15 HG LEU 15 -3.213 6.262 14.670
107 HD11 LEU 15 HD11 LEU 15 -4.302 6.610 12.589
108 HD12 LEU 15 HD12 LEU 15 -4.586 8.096 13.495
109 HD13 LEU 15 HD13 LEU 15 -5.865 6.888 13.362
110 HD21 LEU 15 HD21 LEU 15 -4.689 8.262 15.683
111 HD22 LEU 15 HD22 LEU 15 -3.920 7.076 16.729
112 HD23 LEU 15 HD23 LEU 15 -5.631 6.922 16.334
113 H LEU 16 HN LEU 16 -4.209 2.003 14.697
114 HA LEU 16 HA LEU 16 -6.624 0.834 15.572
115 HB2 LEU 16 HB2 LEU 16 -4.170 -0.214 14.183
116 HB3 LEU 16 HB1 LEU 16 -5.440 -1.323 14.686
117 HG LEU 16 HG LEU 16 -5.626 -0.453 12.303
118 HD11 LEU 16 HD11 LEU 16 -7.589 -1.243 13.890
119 HD12 LEU 16 HD12 LEU 16 -7.949 -0.492 12.339
120 HD13 LEU 16 HD13 LEU 16 -8.064 0.456 13.819
121 HD21 LEU 16 HD21 LEU 16 -6.535 2.112 13.629
122 HD22 LEU 16 HD22 LEU 16 -6.296 1.810 11.910
123 HD23 LEU 16 HD23 LEU 16 -4.906 1.894 12.992
124 H ASN 17 HN ASN 17 -3.283 0.490 16.695
125 HA ASN 17 HA ASN 17 -3.715 -1.630 18.498
126 HB2 ASN 17 HB2 ASN 17 -1.475 -0.854 17.801
127 HB3 ASN 17 HB1 ASN 17 -1.721 0.636 18.711
128 HD21 ASN 17 HD21 ASN 17 0.080 0.083 20.168
129 HD22 ASN 17 HD22 ASN 17 -0.101 -1.125 21.345
130 H VAL 18 HN VAL 18 -3.961 1.888 18.904
131 HA VAL 18 HA VAL 18 -4.467 1.871 21.690
132 HB VAL 18 HB VAL 18 -5.241 3.843 19.526
133 HG11 VAL 18 HG11 VAL 18 -5.528 3.952 22.534
134 HG12 VAL 18 HG12 VAL 18 -6.763 4.249 21.311
135 HG13 VAL 18 HG13 VAL 18 -5.458 5.411 21.544
136 HG21 VAL 18 HG21 VAL 18 -3.330 5.100 20.335
137 HG22 VAL 18 HG22 VAL 18 -2.797 3.455 19.989
138 HG23 VAL 18 HG23 VAL 18 -3.083 3.956 21.655
139 H ILE 19 HN ILE 19 -6.629 1.889 18.873
140 HA ILE 19 HA ILE 19 -9.062 1.870 20.326
141 HB ILE 19 HB ILE 19 -8.380 0.934 17.527
142 HG12 ILE 19 HG12 ILE 19 -9.852 3.409 18.463
143 HG13 ILE 19 HG11 ILE 19 -8.110 3.385 18.183
144 HG21 ILE 19 HG21 ILE 19 -10.883 1.191 17.182
145 HG22 ILE 19 HG22 ILE 19 -11.045 1.263 18.935
146 HG23 ILE 19 HG23 ILE 19 -10.416 -0.195 18.167
147 HD11 ILE 19 HD11 ILE 19 -8.459 2.731 15.855
148 HD12 ILE 19 HD12 ILE 19 -9.378 4.197 16.199
149 HD13 ILE 19 HD13 ILE 19 -10.201 2.640 16.116
150 H ALA 20 HN ALA 20 -7.045 -0.693 18.953
151 HA ALA 20 HA ALA 20 -8.746 -2.860 19.649
152 HB1 ALA 20 HB1 ALA 20 -5.741 -2.950 19.331
153 HB2 ALA 20 HB2 ALA 20 -6.862 -2.911 17.969
154 HB3 ALA 20 HB3 ALA 20 -6.888 -4.270 19.094
155 HN1 NH2 21 H2 NH2 21 -6.031 -2.611 22.729
156 HN2 NH2 21 H1 NH2 21 -5.553 -2.139 21.170
Start of MODEL 10
1 H1 ACE 0 HA2 ACE 0 7.985 -7.441 2.695
2 H2 ACE 0 HA3 ACE 0 6.770 -7.128 3.934
3 H3 ACE 0 HA1 ACE 0 6.931 -6.033 2.560
4 H LEU 1 HN LEU 1 4.827 -8.086 3.723
5 HA LEU 1 HA LEU 1 4.338 -10.000 1.705
6 HB2 LEU 1 HB2 LEU 1 2.498 -8.683 3.710
7 HB3 LEU 1 HB1 LEU 1 1.998 -10.002 2.656
8 HG LEU 1 HG LEU 1 4.376 -10.168 4.527
9 HD11 LEU 1 HD11 LEU 1 2.789 -11.626 5.892
10 HD12 LEU 1 HD12 LEU 1 1.480 -10.950 4.921
11 HD13 LEU 1 HD13 LEU 1 2.464 -9.893 5.934
12 HD21 LEU 1 HD21 LEU 1 4.693 -11.892 2.986
13 HD22 LEU 1 HD22 LEU 1 2.968 -12.088 2.679
14 HD23 LEU 1 HD23 LEU 1 3.678 -12.716 4.163
15 H GLY 2 HN GLY 2 3.166 -6.689 2.172
16 HA2 GLY 2 HA2 GLY 2 3.021 -5.715 -0.299
17 HA3 GLY 2 HA1 GLY 2 1.621 -6.782 -0.309
18 H LEU 3 HN LEU 3 1.493 -6.170 2.711
19 HA LEU 3 HA LEU 3 -0.333 -3.906 2.441
20 HB2 LEU 3 HB2 LEU 3 0.320 -5.669 4.814
21 HB3 LEU 3 HB1 LEU 3 -0.934 -4.432 4.781
22 HG LEU 3 HG LEU 3 -0.819 -6.829 2.924
23 HD11 LEU 3 HD11 LEU 3 -1.275 -7.477 5.257
24 HD12 LEU 3 HD12 LEU 3 -2.721 -7.663 4.265
25 HD13 LEU 3 HD13 LEU 3 -2.565 -6.277 5.345
26 HD21 LEU 3 HD21 LEU 3 -3.340 -6.015 2.700
27 HD22 LEU 3 HD22 LEU 3 -2.078 -5.249 1.743
28 HD23 LEU 3 HD23 LEU 3 -2.670 -4.463 3.208
29 H LEU 4 HN LEU 4 2.904 -4.222 2.915
30 HA LEU 4 HA LEU 4 3.445 -2.519 5.094
31 HB2 LEU 4 HB2 LEU 4 5.177 -3.928 4.109
32 HB3 LEU 4 HB1 LEU 4 5.054 -3.055 2.585
33 HG LEU 4 HG LEU 4 5.859 -1.003 3.646
34 HD11 LEU 4 HD11 LEU 4 5.043 -1.020 5.853
35 HD12 LEU 4 HD12 LEU 4 6.762 -1.323 6.081
36 HD13 LEU 4 HD13 LEU 4 5.614 -2.661 6.155
37 HD21 LEU 4 HD21 LEU 4 8.141 -1.737 4.179
38 HD22 LEU 4 HD22 LEU 4 7.512 -2.649 2.806
39 HD23 LEU 4 HD23 LEU 4 7.569 -3.391 4.405
40 H SER 5 HN SER 5 2.961 -1.883 1.647
41 HA SER 5 HA SER 5 3.362 0.972 1.942
42 HB2 SER 5 HB2 SER 5 4.018 -0.019 -0.148
43 HB3 SER 5 HB1 SER 5 2.431 -0.754 -0.360
44 HG SER 5 HG SER 5 3.277 1.845 -0.784
45 H TYR 6 HN TYR 6 0.976 -0.907 3.013
46 HA TYR 6 HA TYR 6 -1.414 0.143 1.977
47 HB2 TYR 6 HB2 TYR 6 -1.323 -1.856 3.411
48 HB3 TYR 6 HB1 TYR 6 -0.845 -0.851 4.780
49 HD1 TYR 6 HD1 TYR 6 -2.420 0.726 5.808
50 HD2 TYR 6 HD2 TYR 6 -3.592 -1.819 2.553
51 HE1 TYR 6 HE1 TYR 6 -4.806 1.201 6.296
52 HE2 TYR 6 HE2 TYR 6 -5.974 -1.347 3.038
53 HH TYR 6 HH TYR 6 -7.178 -0.413 5.615
54 H GLY 7 HN GLY 7 0.540 1.171 4.769
55 HA2 GLY 7 HA2 GLY 7 -0.827 3.810 4.682
56 HA3 GLY 7 HA1 GLY 7 -0.457 3.002 6.203
57 H ALA 8 HN ALA 8 2.073 2.071 4.531
58 HA ALA 8 HA ALA 8 4.303 2.655 4.672
59 HB1 ALA 8 HB1 ALA 8 3.024 5.137 3.518
60 HB2 ALA 8 HB2 ALA 8 3.799 3.815 2.643
61 HB3 ALA 8 HB3 ALA 8 4.770 4.913 3.623
62 H GLY 9 HN GLY 9 2.364 3.474 6.958
63 HA2 GLY 9 HA2 GLY 9 3.900 4.118 8.998
64 HA3 GLY 9 HA1 GLY 9 3.875 5.679 8.180
65 H VAL 10 HN VAL 10 1.117 5.218 7.201
66 HA VAL 10 HA VAL 10 -0.289 6.463 9.320
67 HB VAL 10 HB VAL 10 -1.303 5.110 6.807
68 HG11 VAL 10 HG11 VAL 10 -3.176 5.204 8.257
69 HG12 VAL 10 HG12 VAL 10 -3.304 6.676 7.295
70 HG13 VAL 10 HG13 VAL 10 -2.677 6.751 8.943
71 HG21 VAL 10 HG21 VAL 10 0.224 7.064 6.504
72 HG22 VAL 10 HG22 VAL 10 -0.865 8.036 7.494
73 HG23 VAL 10 HG23 VAL 10 -1.414 7.397 5.944
74 H ALA 11 HN ALA 11 -0.247 3.137 8.100
75 HA ALA 11 HA ALA 11 -2.284 2.034 9.645
76 HB1 ALA 11 HB1 ALA 11 0.321 0.679 8.941
77 HB2 ALA 11 HB2 ALA 11 -1.015 0.886 7.811
78 HB3 ALA 11 HB3 ALA 11 -1.229 -0.096 9.262
79 H SER 12 HN SER 12 0.462 3.565 10.741
80 HA SER 12 HA SER 12 0.982 1.895 13.052
81 HB2 SER 12 HB2 SER 12 2.729 3.409 13.557
82 HB3 SER 12 HB1 SER 12 2.718 3.278 11.801
83 HG SER 12 HG SER 12 2.756 5.429 12.239
84 H LEU 13 HN LEU 13 -1.686 3.393 12.563
85 HA LEU 13 HA LEU 13 -1.911 4.352 15.330
86 HB2 LEU 13 HB2 LEU 13 -1.915 6.086 13.028
87 HB3 LEU 13 HB1 LEU 13 -3.526 6.118 13.736
88 HG LEU 13 HG LEU 13 -1.029 6.481 15.414
89 HD11 LEU 13 HD11 LEU 13 -0.885 8.291 13.892
90 HD12 LEU 13 HD12 LEU 13 -1.734 8.963 15.284
91 HD13 LEU 13 HD13 LEU 13 -2.635 8.497 13.840
92 HD21 LEU 13 HD21 LEU 13 -2.636 7.516 16.970
93 HD22 LEU 13 HD22 LEU 13 -3.154 5.881 16.565
94 HD23 LEU 13 HD23 LEU 13 -3.938 7.268 15.807
95 HA PRO 14 HA PRO 14 -6.384 3.397 13.631
96 HB2 PRO 14 HB2 PRO 14 -5.640 1.633 11.327
97 HB3 PRO 14 HB1 PRO 14 -6.981 2.787 11.474
98 HG2 PRO 14 HG2 PRO 14 -4.854 3.365 10.001
99 HG3 PRO 14 HG1 PRO 14 -5.637 4.609 10.994
100 HD2 PRO 14 HD2 PRO 14 -3.094 3.106 11.519
101 HD3 PRO 14 HD1 PRO 14 -3.473 4.811 11.829
102 H LEU 15 HN LEU 15 -3.954 0.878 12.874
103 HA LEU 15 HA LEU 15 -5.410 -1.267 14.008
104 HB2 LEU 15 HB2 LEU 15 -2.460 -0.897 13.467
105 HB3 LEU 15 HB1 LEU 15 -3.152 -2.411 14.038
106 HG LEU 15 HG LEU 15 -4.114 -0.995 11.535
107 HD11 LEU 15 HD11 LEU 15 -1.748 -1.572 11.261
108 HD12 LEU 15 HD12 LEU 15 -2.747 -2.653 10.291
109 HD13 LEU 15 HD13 LEU 15 -2.067 -3.217 11.816
110 HD21 LEU 15 HD21 LEU 15 -4.605 -3.695 12.804
111 HD22 LEU 15 HD22 LEU 15 -4.781 -3.493 11.064
112 HD23 LEU 15 HD23 LEU 15 -5.778 -2.548 12.159
113 H LEU 16 HN LEU 16 -2.897 0.860 15.312
114 HA LEU 16 HA LEU 16 -2.687 -0.406 17.837
115 HB2 LEU 16 HB2 LEU 16 -2.207 2.519 17.246
116 HB3 LEU 16 HB1 LEU 16 -1.500 1.557 18.542
117 HG LEU 16 HG LEU 16 -1.039 1.167 15.569
118 HD11 LEU 16 HD11 LEU 16 1.099 2.080 15.890
119 HD12 LEU 16 HD12 LEU 16 1.057 1.828 17.635
120 HD13 LEU 16 HD13 LEU 16 0.093 3.112 16.906
121 HD21 LEU 16 HD21 LEU 16 -0.911 -1.009 16.473
122 HD22 LEU 16 HD22 LEU 16 -0.229 -0.438 17.997
123 HD23 LEU 16 HD23 LEU 16 0.761 -0.453 16.537
124 H ASN 17 HN ASN 17 -4.731 2.167 16.577
125 HA ASN 17 HA ASN 17 -5.890 3.007 18.998
126 HB2 ASN 17 HB2 ASN 17 -6.908 3.027 16.153
127 HB3 ASN 17 HB1 ASN 17 -7.791 3.758 17.494
128 HD21 ASN 17 HD21 ASN 17 -6.776 5.337 15.320
129 HD22 ASN 17 HD22 ASN 17 -5.551 6.343 15.927
130 H VAL 18 HN VAL 18 -6.806 0.439 16.725
131 HA VAL 18 HA VAL 18 -9.238 -0.280 17.981
132 HB VAL 18 HB VAL 18 -7.308 -1.895 16.296
133 HG11 VAL 18 HG11 VAL 18 -10.063 -2.544 17.368
134 HG12 VAL 18 HG12 VAL 18 -8.583 -3.489 17.541
135 HG13 VAL 18 HG13 VAL 18 -9.371 -3.364 15.968
136 HG21 VAL 18 HG21 VAL 18 -8.750 -1.368 14.476
137 HG22 VAL 18 HG22 VAL 18 -8.532 0.155 15.338
138 HG23 VAL 18 HG23 VAL 18 -10.017 -0.774 15.550
139 H ILE 19 HN ILE 19 -5.920 -1.492 18.327
140 HA ILE 19 HA ILE 19 -6.483 -3.464 20.280
141 HB ILE 19 HB ILE 19 -3.957 -1.909 19.670
142 HG12 ILE 19 HG12 ILE 19 -4.738 -3.323 17.821
143 HG13 ILE 19 HG11 ILE 19 -3.272 -3.991 18.528
144 HG21 ILE 19 HG21 ILE 19 -4.479 -4.201 21.560
145 HG22 ILE 19 HG22 ILE 19 -3.635 -2.685 21.877
146 HG23 ILE 19 HG23 ILE 19 -2.879 -3.919 20.870
147 HD11 ILE 19 HD11 ILE 19 -5.038 -5.371 19.996
148 HD12 ILE 19 HD12 ILE 19 -4.555 -5.912 18.393
149 HD13 ILE 19 HD13 ILE 19 -6.072 -5.044 18.607
150 H ALA 20 HN ALA 20 -5.482 -0.074 20.499
151 HA ALA 20 HA ALA 20 -5.509 -0.093 23.397
152 HB1 ALA 20 HB1 ALA 20 -3.920 1.371 22.407
153 HB2 ALA 20 HB2 ALA 20 -5.187 2.415 23.051
154 HB3 ALA 20 HB3 ALA 20 -5.124 2.068 21.323
155 HN1 NH2 21 H2 NH2 21 -9.097 1.028 21.945
156 HN2 NH2 21 H1 NH2 21 -7.905 0.348 20.946
Start of MODEL 11
1 H1 ACE 0 HA2 ACE 0 2.088 -2.942 -5.741
2 H2 ACE 0 HA3 ACE 0 3.192 -4.119 -6.456
3 H3 ACE 0 HA1 ACE 0 3.787 -2.530 -5.975
4 H LEU 1 HN LEU 1 4.912 -4.951 -5.112
5 HA LEU 1 HA LEU 1 4.001 -5.823 -2.589
6 HB2 LEU 1 HB2 LEU 1 6.766 -5.867 -3.826
7 HB3 LEU 1 HB1 LEU 1 6.329 -6.700 -2.335
8 HG LEU 1 HG LEU 1 4.331 -7.586 -4.048
9 HD11 LEU 1 HD11 LEU 1 6.866 -7.587 -5.700
10 HD12 LEU 1 HD12 LEU 1 5.574 -6.413 -5.935
11 HD13 LEU 1 HD13 LEU 1 5.260 -8.128 -6.182
12 HD21 LEU 1 HD21 LEU 1 7.051 -8.752 -3.401
13 HD22 LEU 1 HD22 LEU 1 5.829 -9.659 -4.293
14 HD23 LEU 1 HD23 LEU 1 5.500 -9.123 -2.646
15 H GLY 2 HN GLY 2 6.295 -3.306 -3.548
16 HA2 GLY 2 HA2 GLY 2 7.188 -2.637 -0.944
17 HA3 GLY 2 HA1 GLY 2 7.287 -1.601 -2.370
18 H LEU 3 HN LEU 3 4.475 -1.640 -2.927
19 HA LEU 3 HA LEU 3 3.682 0.558 -1.358
20 HB2 LEU 3 HB2 LEU 3 2.069 -1.206 -3.202
21 HB3 LEU 3 HB1 LEU 3 1.483 0.299 -2.496
22 HG LEU 3 HG LEU 3 3.960 0.060 -4.233
23 HD11 LEU 3 HD11 LEU 3 1.788 -0.387 -5.414
24 HD12 LEU 3 HD12 LEU 3 2.632 1.043 -6.006
25 HD13 LEU 3 HD13 LEU 3 1.247 1.219 -4.930
26 HD21 LEU 3 HD21 LEU 3 4.352 2.010 -3.027
27 HD22 LEU 3 HD22 LEU 3 2.637 2.321 -2.752
28 HD23 LEU 3 HD23 LEU 3 3.359 2.674 -4.321
29 H LEU 4 HN LEU 4 3.015 -2.887 -1.149
30 HA LEU 4 HA LEU 4 0.896 -2.741 0.723
31 HB2 LEU 4 HB2 LEU 4 2.946 -4.903 0.205
32 HB3 LEU 4 HB1 LEU 4 1.593 -5.094 1.315
33 HG LEU 4 HG LEU 4 1.305 -4.365 -1.617
34 HD11 LEU 4 HD11 LEU 4 0.878 -7.035 -0.241
35 HD12 LEU 4 HD12 LEU 4 2.245 -6.640 -1.281
36 HD13 LEU 4 HD13 LEU 4 0.614 -6.693 -1.950
37 HD21 LEU 4 HD21 LEU 4 -0.619 -4.821 0.655
38 HD22 LEU 4 HD22 LEU 4 -1.098 -5.342 -0.959
39 HD23 LEU 4 HD23 LEU 4 -0.699 -3.655 -0.665
40 H SER 5 HN SER 5 4.409 -2.860 1.118
41 HA SER 5 HA SER 5 4.289 -2.967 3.994
42 HB2 SER 5 HB2 SER 5 6.708 -2.689 3.892
43 HB3 SER 5 HB1 SER 5 6.197 -3.884 2.703
44 HG SER 5 HG SER 5 7.292 -2.624 1.406
45 H TYR 6 HN TYR 6 3.602 -0.575 1.828
46 HA TYR 6 HA TYR 6 4.856 1.733 2.826
47 HB2 TYR 6 HB2 TYR 6 3.460 1.470 0.723
48 HB3 TYR 6 HB1 TYR 6 2.038 1.583 1.748
49 HD1 TYR 6 HD2 TYR 6 1.846 3.670 3.284
50 HD2 TYR 6 HD1 TYR 6 4.535 3.396 -0.055
51 HE1 TYR 6 HE2 TYR 6 2.017 6.142 3.214
52 HE2 TYR 6 HE1 TYR 6 4.700 5.858 -0.133
53 HH TYR 6 HH TYR 6 3.387 7.816 0.580
54 H GLY 7 HN GLY 7 1.755 0.221 3.679
55 HA2 GLY 7 HA2 GLY 7 1.770 0.606 6.389
56 HA3 GLY 7 HA1 GLY 7 1.149 2.125 5.748
57 H ALA 8 HN ALA 8 0.692 -1.364 5.117
58 HA ALA 8 HA ALA 8 -1.958 -1.123 4.187
59 HB1 ALA 8 HB1 ALA 8 -0.854 -3.567 5.569
60 HB2 ALA 8 HB2 ALA 8 -0.364 -3.110 3.937
61 HB3 ALA 8 HB3 ALA 8 -2.053 -3.489 4.277
62 H GLY 9 HN GLY 9 -0.621 -1.635 7.419
63 HA2 GLY 9 HA2 GLY 9 -2.812 -0.491 8.751
64 HA3 GLY 9 HA1 GLY 9 -3.030 -2.238 8.756
65 H VAL 10 HN VAL 10 0.142 -0.803 8.754
66 HA VAL 10 HA VAL 10 0.988 -2.236 11.036
67 HB VAL 10 HB VAL 10 3.013 -0.854 10.883
68 HG11 VAL 10 HG11 VAL 10 3.625 -1.497 8.569
69 HG12 VAL 10 HG12 VAL 10 1.923 -1.793 8.217
70 HG13 VAL 10 HG13 VAL 10 2.765 -2.792 9.401
71 HG21 VAL 10 HG21 VAL 10 1.301 0.709 8.948
72 HG22 VAL 10 HG22 VAL 10 3.062 0.780 8.897
73 HG23 VAL 10 HG23 VAL 10 2.199 1.313 10.340
74 H ALA 11 HN ALA 11 0.068 1.161 10.569
75 HA ALA 11 HA ALA 11 0.320 1.700 13.440
76 HB1 ALA 11 HB1 ALA 11 -0.363 3.425 11.053
77 HB2 ALA 11 HB2 ALA 11 1.100 3.475 12.038
78 HB3 ALA 11 HB3 ALA 11 -0.438 4.010 12.715
79 H SER 12 HN SER 12 -1.885 0.296 11.469
80 HA SER 12 HA SER 12 -4.287 1.521 12.578
81 HB2 SER 12 HB2 SER 12 -5.495 0.048 11.105
82 HB3 SER 12 HB1 SER 12 -4.157 0.755 10.206
83 HG SER 12 HG SER 12 -4.489 -1.852 11.201
84 H LEU 13 HN LEU 13 -2.104 -0.741 13.661
85 HA LEU 13 HA LEU 13 -4.155 -2.304 15.116
86 HB2 LEU 13 HB2 LEU 13 -1.716 -3.027 13.765
87 HB3 LEU 13 HB1 LEU 13 -1.533 -3.436 15.466
88 HG LEU 13 HG LEU 13 -3.980 -4.242 13.864
89 HD11 LEU 13 HD11 LEU 13 -2.797 -6.519 13.834
90 HD12 LEU 13 HD12 LEU 13 -1.321 -5.635 14.221
91 HD13 LEU 13 HD13 LEU 13 -2.178 -5.301 12.718
92 HD21 LEU 13 HD21 LEU 13 -2.717 -5.243 16.441
93 HD22 LEU 13 HD22 LEU 13 -4.151 -5.934 15.681
94 HD23 LEU 13 HD23 LEU 13 -4.196 -4.293 16.321
95 HA PRO 14 HA PRO 14 -1.299 -0.993 18.633
96 HB2 PRO 14 HB2 PRO 14 0.885 0.554 18.235
97 HB3 PRO 14 HB1 PRO 14 0.896 -1.195 17.929
98 HG2 PRO 14 HG2 PRO 14 0.729 1.061 15.990
99 HG3 PRO 14 HG1 PRO 14 1.551 -0.500 15.837
100 HD2 PRO 14 HD2 PRO 14 -0.968 0.123 14.748
101 HD3 PRO 14 HD1 PRO 14 -0.324 -1.517 14.968
102 H LEU 15 HN LEU 15 -0.751 1.895 16.586
103 HA LEU 15 HA LEU 15 -1.438 3.751 18.587
104 HB2 LEU 15 HB2 LEU 15 -1.393 3.995 15.576
105 HB3 LEU 15 HB1 LEU 15 -1.643 5.362 16.659
106 HG LEU 15 HG LEU 15 0.767 3.523 16.786
107 HD11 LEU 15 HD11 LEU 15 1.965 5.490 15.752
108 HD12 LEU 15 HD12 LEU 15 0.386 6.205 15.429
109 HD13 LEU 15 HD13 LEU 15 0.835 4.678 14.670
110 HD21 LEU 15 HD21 LEU 15 1.614 5.758 17.976
111 HD22 LEU 15 HD22 LEU 15 0.703 4.555 18.879
112 HD23 LEU 15 HD23 LEU 15 -0.108 5.997 18.270
113 H LEU 16 HN LEU 16 -3.362 2.341 15.969
114 HA LEU 16 HA LEU 16 -5.672 3.896 16.373
115 HB2 LEU 16 HB2 LEU 16 -5.314 2.588 14.347
116 HB3 LEU 16 HB1 LEU 16 -5.394 1.092 15.271
117 HG LEU 16 HG LEU 16 -7.731 1.568 15.873
118 HD11 LEU 16 HD11 LEU 16 -8.784 3.534 14.471
119 HD12 LEU 16 HD12 LEU 16 -7.136 4.160 14.450
120 HD13 LEU 16 HD13 LEU 16 -7.962 3.900 15.987
121 HD21 LEU 16 HD21 LEU 16 -7.053 1.780 12.926
122 HD22 LEU 16 HD22 LEU 16 -8.682 1.469 13.529
123 HD23 LEU 16 HD23 LEU 16 -7.390 0.310 13.840
124 H ASN 17 HN ASN 17 -4.650 0.795 17.765
125 HA ASN 17 HA ASN 17 -7.049 0.239 19.145
126 HB2 ASN 17 HB2 ASN 17 -4.185 -0.611 19.528
127 HB3 ASN 17 HB1 ASN 17 -5.438 -1.116 20.664
128 HD21 ASN 17 HD21 ASN 17 -4.170 -3.111 19.180
129 HD22 ASN 17 HD22 ASN 17 -5.230 -3.716 17.999
130 H VAL 18 HN VAL 18 -4.152 2.058 20.091
131 HA VAL 18 HA VAL 18 -4.894 2.498 22.786
132 HB VAL 18 HB VAL 18 -3.164 4.145 20.924
133 HG11 VAL 18 HG11 VAL 18 -3.825 5.617 22.678
134 HG12 VAL 18 HG12 VAL 18 -2.247 4.996 23.165
135 HG13 VAL 18 HG13 VAL 18 -3.714 4.341 23.891
136 HG21 VAL 18 HG21 VAL 18 -2.376 2.269 23.169
137 HG22 VAL 18 HG22 VAL 18 -1.325 2.990 21.951
138 HG23 VAL 18 HG23 VAL 18 -2.493 1.753 21.487
139 H ILE 19 HN ILE 19 -5.388 4.404 19.837
140 HA ILE 19 HA ILE 19 -6.765 6.563 21.044
141 HB ILE 19 HB ILE 19 -6.811 5.466 18.222
142 HG12 ILE 19 HG12 ILE 19 -5.491 7.954 19.335
143 HG13 ILE 19 HG11 ILE 19 -4.662 6.401 19.213
144 HG21 ILE 19 HG21 ILE 19 -8.836 6.714 18.451
145 HG22 ILE 19 HG22 ILE 19 -7.680 7.820 17.707
146 HG23 ILE 19 HG23 ILE 19 -8.045 7.952 19.428
147 HD11 ILE 19 HD11 ILE 19 -4.266 7.920 17.245
148 HD12 ILE 19 HD12 ILE 19 -5.984 7.793 16.868
149 HD13 ILE 19 HD13 ILE 19 -4.960 6.357 16.812
150 H ALA 20 HN ALA 20 -7.852 3.550 19.536
151 HA ALA 20 HA ALA 20 -10.652 4.126 20.040
152 HB1 ALA 20 HB1 ALA 20 -9.331 1.564 19.113
153 HB2 ALA 20 HB2 ALA 20 -9.935 2.836 18.050
154 HB3 ALA 20 HB3 ALA 20 -11.057 1.926 19.062
155 HN1 NH2 21 H2 NH2 21 -9.156 2.340 23.231
156 HN2 NH2 21 H1 NH2 21 -8.273 3.314 22.157
Start of MODEL 12
1 H1 ACE 0 HA2 ACE 0 4.734 0.030 -3.865
2 H2 ACE 0 HA3 ACE 0 6.244 0.740 -3.296
3 H3 ACE 0 HA1 ACE 0 5.020 0.232 -2.135
4 H LEU 1 HN LEU 1 7.384 -0.765 -1.615
5 HA LEU 1 HA LEU 1 8.176 -3.116 -2.961
6 HB2 LEU 1 HB2 LEU 1 8.559 -2.214 -0.101
7 HB3 LEU 1 HB1 LEU 1 9.343 -3.635 -0.780
8 HG LEU 1 HG LEU 1 9.593 -0.863 -1.983
9 HD11 LEU 1 HD11 LEU 1 11.801 -0.770 -0.858
10 HD12 LEU 1 HD12 LEU 1 11.453 -2.310 -0.071
11 HD13 LEU 1 HD13 LEU 1 10.488 -0.887 0.315
12 HD21 LEU 1 HD21 LEU 1 10.258 -2.398 -3.647
13 HD22 LEU 1 HD22 LEU 1 10.902 -3.545 -2.475
14 HD23 LEU 1 HD23 LEU 1 11.783 -2.063 -2.832
15 H GLY 2 HN GLY 2 5.977 -2.522 -0.264
16 HA2 GLY 2 HA2 GLY 2 4.114 -4.433 -0.711
17 HA3 GLY 2 HA1 GLY 2 5.383 -5.323 0.129
18 H LEU 3 HN LEU 3 6.290 -3.290 1.819
19 HA LEU 3 HA LEU 3 4.477 -3.527 3.976
20 HB2 LEU 3 HB2 LEU 3 6.877 -1.728 3.580
21 HB3 LEU 3 HB1 LEU 3 6.020 -1.914 5.111
22 HG LEU 3 HG LEU 3 7.257 -4.198 3.549
23 HD11 LEU 3 HD11 LEU 3 8.957 -4.190 5.397
24 HD12 LEU 3 HD12 LEU 3 8.283 -2.657 5.948
25 HD13 LEU 3 HD13 LEU 3 9.026 -2.768 4.353
26 HD21 LEU 3 HD21 LEU 3 5.708 -5.292 4.870
27 HD22 LEU 3 HD22 LEU 3 5.654 -4.013 6.081
28 HD23 LEU 3 HD23 LEU 3 6.995 -5.157 6.064
29 H LEU 4 HN LEU 4 5.127 -0.884 1.696
30 HA LEU 4 HA LEU 4 3.552 1.067 3.001
31 HB2 LEU 4 HB2 LEU 4 4.224 0.693 0.073
32 HB3 LEU 4 HB1 LEU 4 3.416 2.118 0.719
33 HG LEU 4 HG LEU 4 6.099 1.132 1.729
34 HD11 LEU 4 HD11 LEU 4 6.321 1.699 -0.632
35 HD12 LEU 4 HD12 LEU 4 7.060 2.968 0.341
36 HD13 LEU 4 HD13 LEU 4 5.470 3.223 -0.377
37 HD21 LEU 4 HD21 LEU 4 4.391 3.579 2.203
38 HD22 LEU 4 HD22 LEU 4 6.144 3.705 2.329
39 HD23 LEU 4 HD23 LEU 4 5.270 2.587 3.369
40 H SER 5 HN SER 5 2.745 -1.327 0.498
41 HA SER 5 HA SER 5 0.009 -0.519 0.268
42 HB2 SER 5 HB2 SER 5 1.375 -3.106 -0.494
43 HB3 SER 5 HB1 SER 5 -0.264 -2.654 -0.955
44 HG SER 5 HG SER 5 2.204 -1.552 -1.736
45 H TYR 6 HN TYR 6 1.667 -3.179 1.932
46 HA TYR 6 HA TYR 6 -0.636 -4.343 3.098
47 HB2 TYR 6 HB2 TYR 6 1.378 -5.625 2.970
48 HB3 TYR 6 HB1 TYR 6 2.296 -4.395 3.836
49 HD1 TYR 6 HD1 TYR 6 -0.635 -6.702 4.232
50 HD2 TYR 6 HD2 TYR 6 2.536 -4.534 6.167
51 HE1 TYR 6 HE1 TYR 6 -1.194 -7.796 6.390
52 HE2 TYR 6 HE2 TYR 6 1.977 -5.624 8.316
53 HH TYR 6 HH TYR 6 0.557 -8.173 8.783
54 H GLY 7 HN GLY 7 1.754 -2.055 4.380
55 HA2 GLY 7 HA2 GLY 7 0.435 -1.673 6.884
56 HA3 GLY 7 HA1 GLY 7 1.708 -0.654 6.213
57 H ALA 8 HN ALA 8 0.425 0.050 3.790
58 HA ALA 8 HA ALA 8 -0.854 1.793 3.011
59 HB1 ALA 8 HB1 ALA 8 -2.851 0.338 4.754
60 HB2 ALA 8 HB2 ALA 8 -2.571 0.098 3.029
61 HB3 ALA 8 HB3 ALA 8 -3.281 1.607 3.608
62 H GLY 9 HN GLY 9 0.417 1.879 5.897
63 HA2 GLY 9 HA2 GLY 9 0.860 3.915 7.051
64 HA3 GLY 9 HA1 GLY 9 -0.702 4.532 6.524
65 H VAL 10 HN VAL 10 -1.809 1.775 7.270
66 HA VAL 10 HA VAL 10 -2.835 2.495 9.802
67 HB VAL 10 HB VAL 10 -2.745 -0.311 8.693
68 HG11 VAL 10 HG11 VAL 10 -3.627 0.256 11.050
69 HG12 VAL 10 HG12 VAL 10 -4.703 -0.657 9.993
70 HG13 VAL 10 HG13 VAL 10 -4.953 1.072 10.227
71 HG21 VAL 10 HG21 VAL 10 -4.896 0.314 7.552
72 HG22 VAL 10 HG22 VAL 10 -3.484 1.144 6.891
73 HG23 VAL 10 HG23 VAL 10 -4.581 1.996 7.978
74 H ALA 11 HN ALA 11 -0.293 0.200 8.848
75 HA ALA 11 HA ALA 11 1.476 -0.663 10.032
76 HB1 ALA 11 HB1 ALA 11 2.373 0.552 11.812
77 HB2 ALA 11 HB2 ALA 11 0.793 1.066 12.403
78 HB3 ALA 11 HB3 ALA 11 1.468 1.788 10.942
79 H SER 12 HN SER 12 -1.057 -1.914 10.084
80 HA SER 12 HA SER 12 -2.067 -3.698 11.100
81 HB2 SER 12 HB2 SER 12 0.006 -3.633 13.281
82 HB3 SER 12 HB1 SER 12 -0.859 -5.015 12.615
83 HG SER 12 HG SER 12 0.769 -5.205 11.315
84 H LEU 13 HN LEU 13 -2.418 -0.803 11.900
85 HA LEU 13 HA LEU 13 -3.509 0.455 13.497
86 HB2 LEU 13 HB2 LEU 13 -5.248 -1.135 12.492
87 HB3 LEU 13 HB1 LEU 13 -5.068 -2.086 13.963
88 HG LEU 13 HG LEU 13 -5.469 0.277 15.150
89 HD11 LEU 13 HD11 LEU 13 -6.972 1.718 13.895
90 HD12 LEU 13 HD12 LEU 13 -6.984 0.590 12.542
91 HD13 LEU 13 HD13 LEU 13 -5.516 1.484 12.931
92 HD21 LEU 13 HD21 LEU 13 -7.740 -1.257 13.839
93 HD22 LEU 13 HD22 LEU 13 -7.854 -0.252 15.283
94 HD23 LEU 13 HD23 LEU 13 -6.927 -1.750 15.327
95 HA PRO 14 HA PRO 14 -1.573 -1.427 17.222
96 HB2 PRO 14 HB2 PRO 14 0.760 -0.057 17.300
97 HB3 PRO 14 HB1 PRO 14 0.535 -1.468 16.247
98 HG2 PRO 14 HG2 PRO 14 0.708 1.392 15.526
99 HG3 PRO 14 HG1 PRO 14 1.017 -0.040 14.535
100 HD2 PRO 14 HD2 PRO 14 -1.412 1.564 14.642
101 HD3 PRO 14 HD1 PRO 14 -1.059 0.176 13.590
102 H LEU 15 HN LEU 15 -0.513 1.929 16.728
103 HA LEU 15 HA LEU 15 -1.136 2.765 19.350
104 HB2 LEU 15 HB2 LEU 15 -0.632 4.321 16.807
105 HB3 LEU 15 HB1 LEU 15 -0.789 5.072 18.394
106 HG LEU 15 HG LEU 15 1.203 2.873 17.790
107 HD11 LEU 15 HD11 LEU 15 1.606 5.881 17.744
108 HD12 LEU 15 HD12 LEU 15 1.670 4.799 16.351
109 HD13 LEU 15 HD13 LEU 15 2.892 4.679 17.616
110 HD21 LEU 15 HD21 LEU 15 0.701 4.737 20.116
111 HD22 LEU 15 HD22 LEU 15 2.325 4.119 19.820
112 HD23 LEU 15 HD23 LEU 15 1.004 3.000 20.129
113 H LEU 16 HN LEU 16 -2.882 3.055 16.286
114 HA LEU 16 HA LEU 16 -4.969 4.714 17.204
115 HB2 LEU 16 HB2 LEU 16 -4.660 2.760 14.937
116 HB3 LEU 16 HB1 LEU 16 -6.241 3.475 15.257
117 HG LEU 16 HG LEU 16 -5.199 5.740 15.120
118 HD11 LEU 16 HD11 LEU 16 -2.908 5.806 14.018
119 HD12 LEU 16 HD12 LEU 16 -2.768 4.089 14.389
120 HD13 LEU 16 HD13 LEU 16 -2.909 5.265 15.696
121 HD21 LEU 16 HD21 LEU 16 -6.223 4.490 13.139
122 HD22 LEU 16 HD22 LEU 16 -4.572 4.113 12.648
123 HD23 LEU 16 HD23 LEU 16 -5.107 5.791 12.729
124 H ASN 17 HN ASN 17 -4.566 1.200 17.199
125 HA ASN 17 HA ASN 17 -7.161 0.524 18.060
126 HB2 ASN 17 HB2 ASN 17 -5.606 -1.131 17.153
127 HB3 ASN 17 HB1 ASN 17 -4.544 -0.918 18.543
128 HD21 ASN 17 HD21 ASN 17 -5.663 -3.489 17.987
129 HD22 ASN 17 HD22 ASN 17 -6.787 -3.857 19.203
130 H VAL 18 HN VAL 18 -4.220 1.340 19.878
131 HA VAL 18 HA VAL 18 -5.233 0.722 22.443
132 HB VAL 18 HB VAL 18 -3.119 2.719 21.592
133 HG11 VAL 18 HG11 VAL 18 -2.413 2.359 24.060
134 HG12 VAL 18 HG12 VAL 18 -4.060 1.775 24.303
135 HG13 VAL 18 HG13 VAL 18 -3.780 3.429 23.757
136 HG21 VAL 18 HG21 VAL 18 -2.760 0.267 21.094
137 HG22 VAL 18 HG22 VAL 18 -2.871 -0.041 22.826
138 HG23 VAL 18 HG23 VAL 18 -1.565 0.961 22.193
139 H ILE 19 HN ILE 19 -5.166 3.787 20.626
140 HA ILE 19 HA ILE 19 -6.537 5.296 22.618
141 HB ILE 19 HB ILE 19 -6.370 5.807 19.640
142 HG12 ILE 19 HG12 ILE 19 -4.142 5.536 20.613
143 HG13 ILE 19 HG11 ILE 19 -4.422 7.229 20.230
144 HG21 ILE 19 HG21 ILE 19 -6.917 7.651 21.987
145 HG22 ILE 19 HG22 ILE 19 -8.087 7.140 20.772
146 HG23 ILE 19 HG23 ILE 19 -6.731 8.168 20.312
147 HD11 ILE 19 HD11 ILE 19 -3.508 7.362 22.374
148 HD12 ILE 19 HD12 ILE 19 -4.296 5.882 22.912
149 HD13 ILE 19 HD13 ILE 19 -5.234 7.362 22.742
150 H ALA 20 HN ALA 20 -7.563 3.576 19.700
151 HA ALA 20 HA ALA 20 -10.334 4.279 19.984
152 HB1 ALA 20 HB1 ALA 20 -9.014 2.062 18.397
153 HB2 ALA 20 HB2 ALA 20 -9.370 3.685 17.803
154 HB3 ALA 20 HB3 ALA 20 -10.688 2.590 18.223
155 HN1 NH2 21 H2 NH2 21 -9.818 0.477 21.464
156 HN2 NH2 21 H1 NH2 21 -8.810 1.019 20.211
Start of MODEL 13
1 H1 ACE 0 HA2 ACE 0 3.707 -8.482 -2.382
2 H2 ACE 0 HA3 ACE 0 4.321 -8.319 -4.028
3 H3 ACE 0 HA1 ACE 0 3.555 -6.945 -3.233
4 H LEU 1 HN LEU 1 5.042 -5.448 -2.776
5 HA LEU 1 HA LEU 1 7.817 -5.927 -2.549
6 HB2 LEU 1 HB2 LEU 1 6.102 -3.599 -1.673
7 HB3 LEU 1 HB1 LEU 1 7.860 -3.589 -1.590
8 HG LEU 1 HG LEU 1 6.305 -4.143 -4.131
9 HD11 LEU 1 HD11 LEU 1 7.022 -1.778 -4.728
10 HD12 LEU 1 HD12 LEU 1 7.435 -1.560 -3.027
11 HD13 LEU 1 HD13 LEU 1 5.768 -1.894 -3.493
12 HD21 LEU 1 HD21 LEU 1 9.220 -3.836 -3.433
13 HD22 LEU 1 HD22 LEU 1 8.671 -3.270 -5.009
14 HD23 LEU 1 HD23 LEU 1 8.446 -4.955 -4.555
15 H GLY 2 HN GLY 2 5.264 -5.514 -0.136
16 HA2 GLY 2 HA2 GLY 2 6.019 -7.199 1.809
17 HA3 GLY 2 HA1 GLY 2 7.116 -5.847 2.088
18 H LEU 3 HN LEU 3 3.664 -6.167 1.232
19 HA LEU 3 HA LEU 3 1.833 -4.945 1.957
20 HB2 LEU 3 HB2 LEU 3 3.123 -5.559 4.628
21 HB3 LEU 3 HB1 LEU 3 1.421 -5.193 4.348
22 HG LEU 3 HG LEU 3 2.900 -7.567 3.169
23 HD11 LEU 3 HD11 LEU 3 1.566 -8.891 4.776
24 HD12 LEU 3 HD12 LEU 3 0.897 -7.402 5.444
25 HD13 LEU 3 HD13 LEU 3 2.616 -7.749 5.613
26 HD21 LEU 3 HD21 LEU 3 0.070 -6.528 2.971
27 HD22 LEU 3 HD22 LEU 3 0.387 -8.258 2.825
28 HD23 LEU 3 HD23 LEU 3 1.123 -7.131 1.691
29 H LEU 4 HN LEU 4 4.513 -3.491 1.628
30 HA LEU 4 HA LEU 4 4.680 -1.429 3.540
31 HB2 LEU 4 HB2 LEU 4 6.504 -1.920 1.989
32 HB3 LEU 4 HB1 LEU 4 5.497 -1.447 0.623
33 HG LEU 4 HG LEU 4 5.380 0.857 1.483
34 HD11 LEU 4 HD11 LEU 4 5.487 0.722 3.826
35 HD12 LEU 4 HD12 LEU 4 7.082 1.343 3.418
36 HD13 LEU 4 HD13 LEU 4 6.875 -0.367 3.799
37 HD21 LEU 4 HD21 LEU 4 8.222 -0.204 1.423
38 HD22 LEU 4 HD22 LEU 4 7.729 1.462 1.123
39 HD23 LEU 4 HD23 LEU 4 7.253 0.187 0.003
40 H SER 5 HN SER 5 2.953 -1.640 0.446
41 HA SER 5 HA SER 5 2.006 1.008 0.359
42 HB2 SER 5 HB2 SER 5 0.730 -1.512 -0.725
43 HB3 SER 5 HB1 SER 5 0.290 0.132 -1.183
44 HG SER 5 HG SER 5 1.808 -0.821 -2.628
45 H TYR 6 HN TYR 6 0.555 -1.935 1.734
46 HA TYR 6 HA TYR 6 -1.842 -0.671 2.602
47 HB2 TYR 6 HB2 TYR 6 -0.467 -3.232 3.422
48 HB3 TYR 6 HB1 TYR 6 -2.016 -2.720 4.091
49 HD1 TYR 6 HD1 TYR 6 -0.247 -3.619 0.947
50 HD2 TYR 6 HD2 TYR 6 -4.039 -2.906 2.833
51 HE1 TYR 6 HE1 TYR 6 -1.411 -4.526 -1.047
52 HE2 TYR 6 HE2 TYR 6 -5.202 -3.812 0.840
53 HH TYR 6 HH TYR 6 -4.241 -5.654 -1.167
54 H GLY 7 HN GLY 7 1.253 -1.371 4.179
55 HA2 GLY 7 HA2 GLY 7 0.363 -0.060 6.653
56 HA3 GLY 7 HA1 GLY 7 1.857 -0.966 6.429
57 H ALA 8 HN ALA 8 0.886 1.411 4.083
58 HA ALA 8 HA ALA 8 3.310 2.835 4.216
59 HB1 ALA 8 HB1 ALA 8 2.067 4.577 2.892
60 HB2 ALA 8 HB2 ALA 8 0.605 3.617 3.111
61 HB3 ALA 8 HB3 ALA 8 1.973 2.951 2.217
62 H GLY 9 HN GLY 9 0.217 3.296 5.807
63 HA2 GLY 9 HA2 GLY 9 1.316 4.774 7.953
64 HA3 GLY 9 HA1 GLY 9 0.561 5.880 6.816
65 H VAL 10 HN VAL 10 -1.360 3.490 6.238
66 HA VAL 10 HA VAL 10 -3.527 4.419 7.742
67 HB VAL 10 HB VAL 10 -3.306 1.634 6.601
68 HG11 VAL 10 HG11 VAL 10 -5.320 2.355 7.959
69 HG12 VAL 10 HG12 VAL 10 -5.679 1.833 6.313
70 HG13 VAL 10 HG13 VAL 10 -5.644 3.553 6.706
71 HG21 VAL 10 HG21 VAL 10 -3.689 4.290 5.202
72 HG22 VAL 10 HG22 VAL 10 -4.207 2.763 4.488
73 HG23 VAL 10 HG23 VAL 10 -2.500 3.037 4.844
74 H ALA 11 HN ALA 11 -1.457 1.567 8.210
75 HA ALA 11 HA ALA 11 -2.765 0.409 10.381
76 HB1 ALA 11 HB1 ALA 11 0.209 0.502 9.840
77 HB2 ALA 11 HB2 ALA 11 -0.924 -0.670 9.166
78 HB3 ALA 11 HB3 ALA 11 -0.611 -0.643 10.902
79 H SER 12 HN SER 12 -1.253 3.420 10.232
80 HA SER 12 HA SER 12 -0.167 3.615 12.840
81 HB2 SER 12 HB2 SER 12 0.254 5.149 10.845
82 HB3 SER 12 HB1 SER 12 -1.277 5.920 11.252
83 HG SER 12 HG SER 12 -0.451 6.569 13.163
84 H LEU 13 HN LEU 13 -3.465 3.633 11.777
85 HA LEU 13 HA LEU 13 -4.320 4.970 14.277
86 HB2 LEU 13 HB2 LEU 13 -5.260 5.085 11.562
87 HB3 LEU 13 HB1 LEU 13 -6.569 4.464 12.560
88 HG LEU 13 HG LEU 13 -5.002 6.950 13.306
89 HD11 LEU 13 HD11 LEU 13 -6.910 8.222 12.350
90 HD12 LEU 13 HD12 LEU 13 -7.575 6.715 11.717
91 HD13 LEU 13 HD13 LEU 13 -6.032 7.323 11.111
92 HD21 LEU 13 HD21 LEU 13 -7.826 6.149 14.041
93 HD22 LEU 13 HD22 LEU 13 -6.792 7.340 14.832
94 HD23 LEU 13 HD23 LEU 13 -6.439 5.619 14.990
95 HA PRO 14 HA PRO 14 -7.062 0.913 14.136
96 HB2 PRO 14 HB2 PRO 14 -5.104 -0.853 12.710
97 HB3 PRO 14 HB1 PRO 14 -6.881 -0.845 12.637
98 HG2 PRO 14 HG2 PRO 14 -5.440 0.146 10.640
99 HG3 PRO 14 HG1 PRO 14 -6.945 0.933 11.156
100 HD2 PRO 14 HD2 PRO 14 -4.116 1.755 11.703
101 HD3 PRO 14 HD1 PRO 14 -5.528 2.764 11.356
102 H LEU 15 HN LEU 15 -3.510 0.508 14.141
103 HA LEU 15 HA LEU 15 -3.415 -1.361 16.256
104 HB2 LEU 15 HB2 LEU 15 -1.377 0.638 15.255
105 HB3 LEU 15 HB1 LEU 15 -1.025 -0.562 16.493
106 HG LEU 15 HG LEU 15 -2.137 -1.300 13.772
107 HD11 LEU 15 HD11 LEU 15 0.265 -1.962 13.275
108 HD12 LEU 15 HD12 LEU 15 0.736 -1.031 14.696
109 HD13 LEU 15 HD13 LEU 15 -0.035 -0.226 13.330
110 HD21 LEU 15 HD21 LEU 15 -2.431 -3.148 15.214
111 HD22 LEU 15 HD22 LEU 15 -0.944 -2.820 16.100
112 HD23 LEU 15 HD23 LEU 15 -0.873 -3.489 14.473
113 H LEU 16 HN LEU 16 -3.239 2.171 16.198
114 HA LEU 16 HA LEU 16 -2.785 2.531 18.967
115 HB2 LEU 16 HB2 LEU 16 -3.863 4.277 16.768
116 HB3 LEU 16 HB1 LEU 16 -3.867 4.847 18.432
117 HG LEU 16 HG LEU 16 -1.834 5.495 17.048
118 HD11 LEU 16 HD11 LEU 16 -0.941 3.813 19.382
119 HD12 LEU 16 HD12 LEU 16 -1.961 5.224 19.654
120 HD13 LEU 16 HD13 LEU 16 -0.391 5.410 18.881
121 HD21 LEU 16 HD21 LEU 16 -0.166 3.841 16.550
122 HD22 LEU 16 HD22 LEU 16 -1.695 3.216 15.933
123 HD23 LEU 16 HD23 LEU 16 -1.036 2.600 17.448
124 H ASN 17 HN ASN 17 -5.708 2.257 17.023
125 HA ASN 17 HA ASN 17 -7.583 2.936 19.007
126 HB2 ASN 17 HB2 ASN 17 -8.169 2.806 16.638
127 HB3 ASN 17 HB1 ASN 17 -7.865 1.071 16.641
128 HD21 ASN 17 HD21 ASN 17 -10.427 2.029 15.920
129 HD22 ASN 17 HD22 ASN 17 -11.533 1.607 17.136
130 H VAL 18 HN VAL 18 -6.091 -0.177 18.163
131 HA VAL 18 HA VAL 18 -7.691 -1.800 19.825
132 HB VAL 18 HB VAL 18 -4.821 -2.139 18.919
133 HG11 VAL 18 HG11 VAL 18 -5.335 -4.592 19.451
134 HG12 VAL 18 HG12 VAL 18 -6.703 -3.993 20.389
135 HG13 VAL 18 HG13 VAL 18 -5.059 -3.536 20.837
136 HG21 VAL 18 HG21 VAL 18 -5.723 -3.483 17.174
137 HG22 VAL 18 HG22 VAL 18 -6.754 -2.054 17.225
138 HG23 VAL 18 HG23 VAL 18 -7.306 -3.564 17.948
139 H ILE 19 HN ILE 19 -4.584 -0.173 20.425
140 HA ILE 19 HA ILE 19 -4.335 -1.028 23.127
141 HB ILE 19 HB ILE 19 -3.190 1.453 21.824
142 HG12 ILE 19 HG12 ILE 19 -2.566 -0.514 20.528
143 HG13 ILE 19 HG11 ILE 19 -1.171 0.015 21.465
144 HG21 ILE 19 HG21 ILE 19 -2.497 -0.101 24.325
145 HG22 ILE 19 HG22 ILE 19 -2.955 1.597 24.201
146 HG23 ILE 19 HG23 ILE 19 -1.394 1.056 23.581
147 HD11 ILE 19 HD11 ILE 19 -1.146 -2.279 21.868
148 HD12 ILE 19 HD12 ILE 19 -2.903 -2.408 21.845
149 HD13 ILE 19 HD13 ILE 19 -2.089 -1.716 23.246
150 H ALA 20 HN ALA 20 -5.670 1.881 21.606
151 HA ALA 20 HA ALA 20 -6.254 3.306 23.966
152 HB1 ALA 20 HB1 ALA 20 -7.801 3.366 21.366
153 HB2 ALA 20 HB2 ALA 20 -6.307 4.254 21.653
154 HB3 ALA 20 HB3 ALA 20 -7.750 4.630 22.593
155 HN1 NH2 21 H2 NH2 21 -9.520 0.893 23.319
156 HN2 NH2 21 H1 NH2 21 -8.448 1.183 22.037
Start of MODEL 14
1 H1 ACE 0 HA2 ACE 0 1.944 -7.673 -0.763
2 H2 ACE 0 HA3 ACE 0 2.150 -6.306 0.333
3 H3 ACE 0 HA1 ACE 0 0.532 -6.798 -0.173
4 H LEU 1 HN LEU 1 3.101 -7.319 2.066
5 HA LEU 1 HA LEU 1 2.429 -9.872 3.052
6 HB2 LEU 1 HB2 LEU 1 3.691 -7.484 4.415
7 HB3 LEU 1 HB1 LEU 1 3.580 -9.081 5.148
8 HG LEU 1 HG LEU 1 4.879 -8.614 2.449
9 HD11 LEU 1 HD11 LEU 1 7.028 -8.543 3.565
10 HD12 LEU 1 HD12 LEU 1 6.275 -8.826 5.133
11 HD13 LEU 1 HD13 LEU 1 6.003 -7.303 4.286
12 HD21 LEU 1 HD21 LEU 1 4.422 -10.931 2.703
13 HD22 LEU 1 HD22 LEU 1 4.788 -10.906 4.428
14 HD23 LEU 1 HD23 LEU 1 6.088 -10.777 3.247
15 H GLY 2 HN GLY 2 1.312 -6.632 3.921
16 HA2 GLY 2 HA2 GLY 2 -1.278 -7.352 4.622
17 HA3 GLY 2 HA1 GLY 2 -0.331 -7.417 6.105
18 H LEU 3 HN LEU 3 -0.282 -5.247 3.286
19 HA LEU 3 HA LEU 3 -0.186 -2.944 3.160
20 HB2 LEU 3 HB2 LEU 3 -2.279 -3.192 5.333
21 HB3 LEU 3 HB1 LEU 3 -2.036 -1.812 4.264
22 HG LEU 3 HG LEU 3 -2.774 -4.610 3.354
23 HD11 LEU 3 HD11 LEU 3 -4.399 -2.074 3.696
24 HD12 LEU 3 HD12 LEU 3 -4.656 -3.629 4.490
25 HD13 LEU 3 HD13 LEU 3 -4.952 -3.465 2.759
26 HD21 LEU 3 HD21 LEU 3 -3.320 -3.159 1.217
27 HD22 LEU 3 HD22 LEU 3 -1.662 -3.663 1.519
28 HD23 LEU 3 HD23 LEU 3 -2.169 -2.024 1.923
29 H LEU 4 HN LEU 4 1.325 -4.448 5.482
30 HA LEU 4 HA LEU 4 1.547 -2.613 7.626
31 HB2 LEU 4 HB2 LEU 4 3.479 -4.674 6.545
32 HB3 LEU 4 HB1 LEU 4 3.767 -3.760 8.021
33 HG LEU 4 HG LEU 4 1.271 -5.417 7.562
34 HD11 LEU 4 HD11 LEU 4 2.462 -7.018 9.187
35 HD12 LEU 4 HD12 LEU 4 3.942 -6.160 8.761
36 HD13 LEU 4 HD13 LEU 4 3.028 -7.011 7.517
37 HD21 LEU 4 HD21 LEU 4 2.458 -3.922 9.900
38 HD22 LEU 4 HD22 LEU 4 1.457 -5.340 10.197
39 HD23 LEU 4 HD23 LEU 4 0.788 -3.959 9.336
40 H SER 5 HN SER 5 3.464 -3.016 4.653
41 HA SER 5 HA SER 5 5.274 -0.892 5.185
42 HB2 SER 5 HB2 SER 5 5.936 -2.432 3.505
43 HB3 SER 5 HB1 SER 5 4.406 -2.276 2.647
44 HG SER 5 HG SER 5 5.349 0.139 2.804
45 H TYR 6 HN TYR 6 2.247 -1.097 3.370
46 HA TYR 6 HA TYR 6 2.169 1.567 2.457
47 HB2 TYR 6 HB2 TYR 6 0.730 -0.054 1.442
48 HB3 TYR 6 HB1 TYR 6 -0.003 -0.471 2.989
49 HD1 TYR 6 HD2 TYR 6 0.409 2.321 0.539
50 HD2 TYR 6 HD1 TYR 6 -1.878 0.709 3.798
51 HE1 TYR 6 HE2 TYR 6 -1.309 4.081 0.208
52 HE2 TYR 6 HE1 TYR 6 -3.591 2.462 3.469
53 HH TYR 6 HH TYR 6 -4.343 4.045 2.007
54 H GLY 7 HN GLY 7 0.762 0.038 5.344
55 HA2 GLY 7 HA2 GLY 7 -0.454 2.375 6.386
56 HA3 GLY 7 HA1 GLY 7 -0.069 0.917 7.297
57 H ALA 8 HN ALA 8 2.773 1.019 6.610
58 HA ALA 8 HA ALA 8 3.752 2.385 8.819
59 HB1 ALA 8 HB1 ALA 8 4.956 0.598 7.530
60 HB2 ALA 8 HB2 ALA 8 5.955 1.996 7.928
61 HB3 ALA 8 HB3 ALA 8 5.314 1.806 6.295
62 H GLY 9 HN GLY 9 2.664 4.435 8.705
63 HA2 GLY 9 HA2 GLY 9 3.903 6.697 8.434
64 HA3 GLY 9 HA1 GLY 9 3.699 6.358 6.716
65 H VAL 10 HN VAL 10 1.103 4.982 7.332
66 HA VAL 10 HA VAL 10 -0.627 7.163 6.840
67 HB VAL 10 HB VAL 10 -1.159 4.312 7.706
68 HG11 VAL 10 HG11 VAL 10 -3.528 4.937 6.774
69 HG12 VAL 10 HG12 VAL 10 -3.049 6.594 7.142
70 HG13 VAL 10 HG13 VAL 10 -3.114 5.387 8.426
71 HG21 VAL 10 HG21 VAL 10 -0.169 4.688 5.450
72 HG22 VAL 10 HG22 VAL 10 -1.522 5.749 5.054
73 HG23 VAL 10 HG23 VAL 10 -1.805 4.035 5.361
74 H ALA 11 HN ALA 11 0.001 5.259 9.778
75 HA ALA 11 HA ALA 11 -0.289 5.759 12.000
76 HB1 ALA 11 HB1 ALA 11 -0.158 7.990 12.704
77 HB2 ALA 11 HB2 ALA 11 -0.964 8.597 11.259
78 HB3 ALA 11 HB3 ALA 11 0.693 7.999 11.160
79 H SER 12 HN SER 12 -2.726 6.579 9.685
80 HA SER 12 HA SER 12 -4.825 6.925 11.668
81 HB2 SER 12 HB2 SER 12 -5.006 6.728 8.652
82 HB3 SER 12 HB1 SER 12 -6.302 7.212 9.743
83 HG SER 12 HG SER 12 -4.639 8.842 10.468
84 H LEU 13 HN LEU 13 -3.210 4.309 10.933
85 HA LEU 13 HA LEU 13 -5.470 2.555 11.394
86 HB2 LEU 13 HB2 LEU 13 -4.828 2.965 8.767
87 HB3 LEU 13 HB1 LEU 13 -3.800 1.586 9.131
88 HG LEU 13 HG LEU 13 -5.975 0.577 10.215
89 HD11 LEU 13 HD11 LEU 13 -7.326 2.646 10.022
90 HD12 LEU 13 HD12 LEU 13 -8.038 1.330 9.091
91 HD13 LEU 13 HD13 LEU 13 -7.132 2.599 8.269
92 HD21 LEU 13 HD21 LEU 13 -6.645 -0.323 7.979
93 HD22 LEU 13 HD22 LEU 13 -4.903 -0.378 8.236
94 HD23 LEU 13 HD23 LEU 13 -5.605 0.880 7.217
95 HA PRO 14 HA PRO 14 -1.271 0.097 11.815
96 HB2 PRO 14 HB2 PRO 14 0.552 2.404 12.376
97 HB3 PRO 14 HB1 PRO 14 0.874 0.903 11.481
98 HG2 PRO 14 HG2 PRO 14 0.545 3.183 10.182
99 HG3 PRO 14 HG1 PRO 14 -0.159 1.679 9.553
100 HD2 PRO 14 HD2 PRO 14 -1.509 3.919 11.030
101 HD3 PRO 14 HD1 PRO 14 -2.081 3.009 9.612
102 H LEU 15 HN LEU 15 -1.159 3.185 13.638
103 HA LEU 15 HA LEU 15 -0.619 1.976 16.139
104 HB2 LEU 15 HB2 LEU 15 -1.819 4.661 15.438
105 HB3 LEU 15 HB1 LEU 15 -1.348 4.191 17.067
106 HG LEU 15 HG LEU 15 0.539 4.183 14.692
107 HD11 LEU 15 HD11 LEU 15 1.459 6.262 15.667
108 HD12 LEU 15 HD12 LEU 15 0.195 6.239 16.897
109 HD13 LEU 15 HD13 LEU 15 -0.230 6.467 15.201
110 HD21 LEU 15 HD21 LEU 15 1.548 2.770 16.253
111 HD22 LEU 15 HD22 LEU 15 0.815 3.587 17.633
112 HD23 LEU 15 HD23 LEU 15 2.177 4.324 16.792
113 H LEU 16 HN LEU 16 -3.618 3.058 14.604
114 HA LEU 16 HA LEU 16 -5.333 2.514 16.783
115 HB2 LEU 16 HB2 LEU 16 -5.865 2.645 13.809
116 HB3 LEU 16 HB1 LEU 16 -7.129 2.537 15.031
117 HG LEU 16 HG LEU 16 -5.031 4.725 14.954
118 HD11 LEU 16 HD11 LEU 16 -6.668 6.155 13.953
119 HD12 LEU 16 HD12 LEU 16 -7.939 4.950 14.151
120 HD13 LEU 16 HD13 LEU 16 -6.644 4.682 12.986
121 HD21 LEU 16 HD21 LEU 16 -6.977 5.802 16.411
122 HD22 LEU 16 HD22 LEU 16 -5.810 4.717 17.157
123 HD23 LEU 16 HD23 LEU 16 -7.406 4.117 16.707
124 H ASN 17 HN ASN 17 -4.293 0.581 14.025
125 HA ASN 17 HA ASN 17 -5.986 -1.629 14.432
126 HB2 ASN 17 HB2 ASN 17 -4.747 -1.339 12.362
127 HB3 ASN 17 HB1 ASN 17 -3.216 -1.482 13.225
128 HD21 ASN 17 HD21 ASN 17 -5.967 -3.310 11.969
129 HD22 ASN 17 HD22 ASN 17 -5.308 -4.844 12.278
130 H VAL 18 HN VAL 18 -2.754 -0.886 15.694
131 HA VAL 18 HA VAL 18 -2.362 -3.351 17.044
132 HB VAL 18 HB VAL 18 -1.200 -0.593 17.522
133 HG11 VAL 18 HG11 VAL 18 -0.974 -1.795 19.590
134 HG12 VAL 18 HG12 VAL 18 0.580 -1.925 18.765
135 HG13 VAL 18 HG13 VAL 18 -0.546 -3.284 18.747
136 HG21 VAL 18 HG21 VAL 18 -0.754 -1.851 15.337
137 HG22 VAL 18 HG22 VAL 18 0.086 -3.052 16.317
138 HG23 VAL 18 HG23 VAL 18 0.673 -1.391 16.266
139 H ILE 19 HN ILE 19 -3.625 -0.200 18.077
140 HA ILE 19 HA ILE 19 -4.079 -0.892 20.781
141 HB ILE 19 HB ILE 19 -5.400 1.165 18.993
142 HG12 ILE 19 HG12 ILE 19 -3.376 1.513 21.219
143 HG13 ILE 19 HG11 ILE 19 -2.919 1.331 19.525
144 HG21 ILE 19 HG21 ILE 19 -5.646 0.630 21.964
145 HG22 ILE 19 HG22 ILE 19 -6.946 0.763 20.777
146 HG23 ILE 19 HG23 ILE 19 -6.031 2.196 21.248
147 HD11 ILE 19 HD11 ILE 19 -4.137 3.323 18.908
148 HD12 ILE 19 HD12 ILE 19 -3.115 3.730 20.287
149 HD13 ILE 19 HD13 ILE 19 -4.840 3.451 20.521
150 H ALA 20 HN ALA 20 -6.140 -1.016 17.895
151 HA ALA 20 HA ALA 20 -8.366 -2.152 19.383
152 HB1 ALA 20 HB1 ALA 20 -7.981 -1.774 16.402
153 HB2 ALA 20 HB2 ALA 20 -8.777 -0.634 17.489
154 HB3 ALA 20 HB3 ALA 20 -9.489 -2.222 17.201
155 HN1 NH2 21 H2 NH2 21 -6.034 -5.058 17.950
156 HN2 NH2 21 H1 NH2 21 -5.509 -3.454 18.133
Start of MODEL 15
1 H1 ACE 0 HA2 ACE 0 -0.800 -7.075 2.886
2 H2 ACE 0 HA3 ACE 0 -0.402 -8.788 3.028
3 H3 ACE 0 HA1 ACE 0 -2.031 -8.296 2.565
4 H LEU 1 HN LEU 1 -0.946 -6.128 0.865
5 HA LEU 1 HA LEU 1 -0.507 -7.730 -1.537
6 HB2 LEU 1 HB2 LEU 1 -0.933 -4.757 -1.138
7 HB3 LEU 1 HB1 LEU 1 -0.788 -5.558 -2.701
8 HG LEU 1 HG LEU 1 -2.753 -7.099 -1.662
9 HD11 LEU 1 HD11 LEU 1 -2.716 -5.780 0.495
10 HD12 LEU 1 HD12 LEU 1 -4.287 -5.822 -0.298
11 HD13 LEU 1 HD13 LEU 1 -3.278 -4.382 -0.419
12 HD21 LEU 1 HD21 LEU 1 -3.231 -4.334 -2.825
13 HD22 LEU 1 HD22 LEU 1 -4.369 -5.681 -2.850
14 HD23 LEU 1 HD23 LEU 1 -2.865 -5.779 -3.767
15 H GLY 2 HN GLY 2 1.388 -6.324 0.809
16 HA2 GLY 2 HA2 GLY 2 3.748 -6.402 0.834
17 HA3 GLY 2 HA1 GLY 2 3.756 -6.390 -0.927
18 H LEU 3 HN LEU 3 1.565 -4.167 -0.288
19 HA LEU 3 HA LEU 3 3.426 -1.955 -0.649
20 HB2 LEU 3 HB2 LEU 3 0.400 -2.024 -0.570
21 HB3 LEU 3 HB1 LEU 3 1.374 -0.618 -0.994
22 HG LEU 3 HG LEU 3 1.449 -3.271 -2.469
23 HD11 LEU 3 HD11 LEU 3 -0.722 -2.128 -2.728
24 HD12 LEU 3 HD12 LEU 3 0.197 -2.077 -4.232
25 HD13 LEU 3 HD13 LEU 3 0.110 -0.648 -3.203
26 HD21 LEU 3 HD21 LEU 3 2.510 -1.603 -4.224
27 HD22 LEU 3 HD22 LEU 3 3.511 -2.252 -2.932
28 HD23 LEU 3 HD23 LEU 3 2.856 -0.621 -2.801
29 H LEU 4 HN LEU 4 1.896 -3.517 1.918
30 HA LEU 4 HA LEU 4 1.283 -1.380 3.645
31 HB2 LEU 4 HB2 LEU 4 0.470 -3.637 4.056
32 HB3 LEU 4 HB1 LEU 4 2.117 -4.222 4.269
33 HG LEU 4 HG LEU 4 2.396 -2.823 6.260
34 HD11 LEU 4 HD11 LEU 4 0.170 -1.728 7.118
35 HD12 LEU 4 HD12 LEU 4 -0.306 -1.775 5.420
36 HD13 LEU 4 HD13 LEU 4 1.129 -0.875 5.911
37 HD21 LEU 4 HD21 LEU 4 1.244 -5.107 6.340
38 HD22 LEU 4 HD22 LEU 4 -0.276 -4.226 6.480
39 HD23 LEU 4 HD23 LEU 4 0.962 -4.050 7.722
40 H SER 5 HN SER 5 4.277 -3.217 3.168
41 HA SER 5 HA SER 5 5.719 -2.107 5.316
42 HB2 SER 5 HB2 SER 5 6.417 -4.129 4.058
43 HB3 SER 5 HB1 SER 5 6.806 -3.108 2.676
44 HG SER 5 HG SER 5 8.245 -1.968 4.116
45 H TYR 6 HN TYR 6 4.742 -0.706 2.353
46 HA TYR 6 HA TYR 6 6.880 1.269 2.271
47 HB2 TYR 6 HB2 TYR 6 4.354 0.901 0.654
48 HB3 TYR 6 HB1 TYR 6 5.486 2.230 0.406
49 HD1 TYR 6 HD2 TYR 6 5.333 -1.504 0.615
50 HD2 TYR 6 HD1 TYR 6 7.384 1.925 -0.962
51 HE1 TYR 6 HE2 TYR 6 6.770 -2.993 -0.748
52 HE2 TYR 6 HE1 TYR 6 8.826 0.435 -2.322
53 HH TYR 6 HH TYR 6 9.377 -1.667 -2.787
54 H GLY 7 HN GLY 7 4.578 0.888 4.419
55 HA2 GLY 7 HA2 GLY 7 3.761 2.373 6.005
56 HA3 GLY 7 HA1 GLY 7 4.426 3.700 5.057
57 H ALA 8 HN ALA 8 2.249 1.234 3.793
58 HA ALA 8 HA ALA 8 0.519 3.082 2.571
59 HB1 ALA 8 HB1 ALA 8 0.731 0.590 2.078
60 HB2 ALA 8 HB2 ALA 8 -0.907 1.240 2.091
61 HB3 ALA 8 HB3 ALA 8 -0.312 0.323 3.475
62 H GLY 9 HN GLY 9 0.964 2.534 5.806
63 HA2 GLY 9 HA2 GLY 9 -1.054 4.233 6.694
64 HA3 GLY 9 HA1 GLY 9 -1.681 2.592 6.833
65 H VAL 10 HN VAL 10 1.098 4.617 7.712
66 HA VAL 10 HA VAL 10 2.205 2.845 9.614
67 HB VAL 10 HB VAL 10 2.376 5.849 9.327
68 HG11 VAL 10 HG11 VAL 10 3.748 3.940 11.228
69 HG12 VAL 10 HG12 VAL 10 2.914 5.446 11.609
70 HG13 VAL 10 HG13 VAL 10 4.471 5.487 10.785
71 HG21 VAL 10 HG21 VAL 10 4.278 3.585 8.642
72 HG22 VAL 10 HG22 VAL 10 4.611 5.302 8.414
73 HG23 VAL 10 HG23 VAL 10 3.333 4.520 7.482
74 H ALA 11 HN ALA 11 -0.108 5.517 9.921
75 HA ALA 11 HA ALA 11 -0.380 5.319 12.754
76 HB1 ALA 11 HB1 ALA 11 -2.424 6.430 10.829
77 HB2 ALA 11 HB2 ALA 11 -0.977 7.317 11.306
78 HB3 ALA 11 HB3 ALA 11 -2.176 6.871 12.518
79 H SER 12 HN SER 12 -1.453 3.366 10.211
80 HA SER 12 HA SER 12 -3.974 2.505 11.174
81 HB2 SER 12 HB2 SER 12 -2.938 2.090 8.864
82 HB3 SER 12 HB1 SER 12 -2.051 0.773 9.625
83 HG SER 12 HG SER 12 -4.700 0.800 10.279
84 H LEU 13 HN LEU 13 -0.881 2.098 12.441
85 HA LEU 13 HA LEU 13 -1.453 -0.482 13.711
86 HB2 LEU 13 HB2 LEU 13 0.958 1.165 13.190
87 HB3 LEU 13 HB1 LEU 13 0.971 0.315 14.735
88 HG LEU 13 HG LEU 13 0.462 -1.807 13.523
89 HD11 LEU 13 HD11 LEU 13 0.651 0.050 11.144
90 HD12 LEU 13 HD12 LEU 13 -0.661 -1.050 11.562
91 HD13 LEU 13 HD13 LEU 13 0.879 -1.692 10.994
92 HD21 LEU 13 HD21 LEU 13 2.697 -2.078 12.557
93 HD22 LEU 13 HD22 LEU 13 2.805 -1.110 14.027
94 HD23 LEU 13 HD23 LEU 13 2.886 -0.327 12.449
95 HA PRO 14 HA PRO 14 -0.883 2.152 17.715
96 HB2 PRO 14 HB2 PRO 14 -0.954 4.913 17.377
97 HB3 PRO 14 HB1 PRO 14 0.530 3.948 17.499
98 HG2 PRO 14 HG2 PRO 14 -0.874 4.951 15.058
99 HG3 PRO 14 HG1 PRO 14 0.861 4.924 15.428
100 HD2 PRO 14 HD2 PRO 14 -0.215 3.087 13.800
101 HD3 PRO 14 HD1 PRO 14 1.063 2.642 14.955
102 H LEU 15 HN LEU 15 -2.919 3.607 15.178
103 HA LEU 15 HA LEU 15 -4.945 4.584 16.882
104 HB2 LEU 15 HB2 LEU 15 -5.025 3.652 14.008
105 HB3 LEU 15 HB1 LEU 15 -6.397 4.405 14.815
106 HG LEU 15 HG LEU 15 -3.657 5.692 14.628
107 HD11 LEU 15 HD11 LEU 15 -4.851 7.151 12.884
108 HD12 LEU 15 HD12 LEU 15 -6.063 5.872 12.808
109 HD13 LEU 15 HD13 LEU 15 -4.389 5.528 12.374
110 HD21 LEU 15 HD21 LEU 15 -6.366 6.552 15.640
111 HD22 LEU 15 HD22 LEU 15 -5.285 7.764 14.959
112 HD23 LEU 15 HD23 LEU 15 -4.775 6.818 16.350
113 H LEU 16 HN LEU 16 -4.545 1.473 15.252
114 HA LEU 16 HA LEU 16 -6.998 0.353 16.156
115 HB2 LEU 16 HB2 LEU 16 -4.461 -0.760 14.988
116 HB3 LEU 16 HB1 LEU 16 -5.667 -1.861 15.655
117 HG LEU 16 HG LEU 16 -7.373 -1.005 14.162
118 HD11 LEU 16 HD11 LEU 16 -6.587 0.722 12.393
119 HD12 LEU 16 HD12 LEU 16 -5.275 1.064 13.516
120 HD13 LEU 16 HD13 LEU 16 -6.944 1.310 14.015
121 HD21 LEU 16 HD21 LEU 16 -6.201 -1.435 11.910
122 HD22 LEU 16 HD22 LEU 16 -6.096 -2.718 13.114
123 HD23 LEU 16 HD23 LEU 16 -4.723 -1.645 12.848
124 H ASN 17 HN ASN 17 -3.714 0.384 17.449
125 HA ASN 17 HA ASN 17 -4.094 -1.467 19.537
126 HB2 ASN 17 HB2 ASN 17 -2.217 0.866 19.166
127 HB3 ASN 17 HB1 ASN 17 -2.182 -0.127 20.623
128 HD21 ASN 17 HD21 ASN 17 0.045 -0.062 18.822
129 HD22 ASN 17 HD22 ASN 17 0.180 -1.588 18.088
130 H VAL 18 HN VAL 18 -4.609 2.044 19.385
131 HA VAL 18 HA VAL 18 -5.260 2.402 22.117
132 HB VAL 18 HB VAL 18 -6.039 3.973 19.650
133 HG11 VAL 18 HG11 VAL 18 -6.469 5.797 21.412
134 HG12 VAL 18 HG12 VAL 18 -6.516 4.487 22.592
135 HG13 VAL 18 HG13 VAL 18 -7.687 4.530 21.276
136 HG21 VAL 18 HG21 VAL 18 -3.591 3.781 20.393
137 HG22 VAL 18 HG22 VAL 18 -4.069 4.672 21.837
138 HG23 VAL 18 HG23 VAL 18 -4.235 5.416 20.246
139 H ILE 19 HN ILE 19 -7.267 1.840 19.239
140 HA ILE 19 HA ILE 19 -9.762 1.850 20.587
141 HB ILE 19 HB ILE 19 -8.881 0.537 18.004
142 HG12 ILE 19 HG12 ILE 19 -8.733 2.986 17.975
143 HG13 ILE 19 HG11 ILE 19 -10.059 2.448 16.953
144 HG21 ILE 19 HG21 ILE 19 -11.609 0.804 19.268
145 HG22 ILE 19 HG22 ILE 19 -10.823 -0.653 18.664
146 HG23 ILE 19 HG23 ILE 19 -11.399 0.570 17.532
147 HD11 ILE 19 HD11 ILE 19 -11.459 2.802 19.215
148 HD12 ILE 19 HD12 ILE 19 -11.130 4.135 18.114
149 HD13 ILE 19 HD13 ILE 19 -10.140 3.919 19.554
150 H ALA 20 HN ALA 20 -7.505 -0.728 19.701
151 HA ALA 20 HA ALA 20 -9.135 -2.803 20.875
152 HB1 ALA 20 HB1 ALA 20 -6.298 -2.779 19.828
153 HB2 ALA 20 HB2 ALA 20 -7.734 -3.387 19.002
154 HB3 ALA 20 HB3 ALA 20 -7.115 -4.224 20.426
155 HN1 NH2 21 H2 NH2 21 -6.532 -1.331 23.596
156 HN2 NH2 21 H1 NH2 21 -6.743 -0.587 22.084
Start of MODEL 16
1 H1 ACE 0 HA2 ACE 0 2.618 -7.763 -2.256
2 H2 ACE 0 HA3 ACE 0 2.803 -8.778 -3.688
3 H3 ACE 0 HA1 ACE 0 1.666 -7.430 -3.702
4 H LEU 1 HN LEU 1 2.464 -5.294 -3.775
5 HA LEU 1 HA LEU 1 4.714 -4.896 -5.427
6 HB2 LEU 1 HB2 LEU 1 3.139 -2.985 -3.690
7 HB3 LEU 1 HB1 LEU 1 4.391 -2.468 -4.816
8 HG LEU 1 HG LEU 1 1.995 -4.132 -5.639
9 HD11 LEU 1 HD11 LEU 1 1.056 -2.009 -6.517
10 HD12 LEU 1 HD12 LEU 1 2.396 -1.129 -5.782
11 HD13 LEU 1 HD13 LEU 1 1.231 -1.972 -4.762
12 HD21 LEU 1 HD21 LEU 1 4.252 -2.756 -7.097
13 HD22 LEU 1 HD22 LEU 1 2.694 -2.947 -7.898
14 HD23 LEU 1 HD23 LEU 1 3.581 -4.364 -7.354
15 H GLY 2 HN GLY 2 4.238 -4.640 -1.938
16 HA2 GLY 2 HA2 GLY 2 6.080 -5.244 -0.459
17 HA3 GLY 2 HA1 GLY 2 7.178 -4.446 -1.582
18 H LEU 3 HN LEU 3 4.673 -2.513 -1.731
19 HA LEU 3 HA LEU 3 5.679 -0.701 0.377
20 HB2 LEU 3 HB2 LEU 3 3.940 -0.143 -2.039
21 HB3 LEU 3 HB1 LEU 3 4.509 1.063 -0.887
22 HG LEU 3 HG LEU 3 6.314 -0.708 -2.563
23 HD11 LEU 3 HD11 LEU 3 6.728 1.281 -3.906
24 HD12 LEU 3 HD12 LEU 3 5.674 2.241 -2.869
25 HD13 LEU 3 HD13 LEU 3 4.993 0.965 -3.876
26 HD21 LEU 3 HD21 LEU 3 7.621 -0.102 -0.712
27 HD22 LEU 3 HD22 LEU 3 6.786 1.436 -0.490
28 HD23 LEU 3 HD23 LEU 3 7.943 1.239 -1.806
29 H LEU 4 HN LEU 4 3.264 -2.922 -0.060
30 HA LEU 4 HA LEU 4 0.971 -1.586 0.908
31 HB2 LEU 4 HB2 LEU 4 1.808 -4.488 1.073
32 HB3 LEU 4 HB1 LEU 4 0.218 -3.902 1.557
33 HG LEU 4 HG LEU 4 1.407 -3.462 -1.200
34 HD11 LEU 4 HD11 LEU 4 -0.473 -5.607 -0.180
35 HD12 LEU 4 HD12 LEU 4 1.114 -5.840 -0.909
36 HD13 LEU 4 HD13 LEU 4 -0.230 -5.255 -1.891
37 HD21 LEU 4 HD21 LEU 4 -1.205 -3.224 -1.620
38 HD22 LEU 4 HD22 LEU 4 -0.289 -1.863 -0.989
39 HD23 LEU 4 HD23 LEU 4 -1.246 -2.860 0.104
40 H SER 5 HN SER 5 3.599 -3.291 2.540
41 HA SER 5 HA SER 5 2.478 -2.869 5.171
42 HB2 SER 5 HB2 SER 5 5.155 -3.909 4.230
43 HB3 SER 5 HB1 SER 5 4.688 -3.795 5.926
44 HG SER 5 HG SER 5 3.488 -5.317 3.854
45 H TYR 6 HN TYR 6 3.906 -0.825 3.025
46 HA TYR 6 HA TYR 6 5.851 0.575 4.483
47 HB2 TYR 6 HB2 TYR 6 5.365 0.894 2.058
48 HB3 TYR 6 HB1 TYR 6 3.868 1.714 2.501
49 HD1 TYR 6 HD2 TYR 6 3.893 3.920 3.561
50 HD2 TYR 6 HD1 TYR 6 7.533 1.933 2.448
51 HE1 TYR 6 HE2 TYR 6 5.133 6.051 3.820
52 HE2 TYR 6 HE1 TYR 6 8.775 4.063 2.705
53 HH TYR 6 HH TYR 6 7.228 6.946 4.020
54 H GLY 7 HN GLY 7 2.338 1.088 4.258
55 HA2 GLY 7 HA2 GLY 7 1.800 1.750 6.853
56 HA3 GLY 7 HA1 GLY 7 2.345 3.266 6.143
57 H ALA 8 HN ALA 8 0.595 0.788 4.363
58 HA ALA 8 HA ALA 8 -1.501 2.723 3.725
59 HB1 ALA 8 HB1 ALA 8 -2.132 1.226 1.990
60 HB2 ALA 8 HB2 ALA 8 -1.275 -0.122 2.738
61 HB3 ALA 8 HB3 ALA 8 -0.368 1.206 2.013
62 H GLY 9 HN GLY 9 -1.184 1.290 6.415
63 HA2 GLY 9 HA2 GLY 9 -3.689 1.204 7.368
64 HA3 GLY 9 HA1 GLY 9 -3.582 -0.357 6.562
65 H VAL 10 HN VAL 10 -0.562 -0.122 7.297
66 HA VAL 10 HA VAL 10 -0.617 -1.875 9.502
67 HB VAL 10 HB VAL 10 1.613 -0.122 8.458
68 HG11 VAL 10 HG11 VAL 10 3.046 -1.876 9.641
69 HG12 VAL 10 HG12 VAL 10 1.578 -2.363 10.486
70 HG13 VAL 10 HG13 VAL 10 2.210 -0.729 10.687
71 HG21 VAL 10 HG21 VAL 10 0.832 -1.716 6.796
72 HG22 VAL 10 HG22 VAL 10 0.850 -3.018 7.984
73 HG23 VAL 10 HG23 VAL 10 2.366 -2.294 7.445
74 H ALA 11 HN ALA 11 0.034 1.612 9.286
75 HA ALA 11 HA ALA 11 0.350 1.902 12.142
76 HB1 ALA 11 HB1 ALA 11 0.465 4.316 11.629
77 HB2 ALA 11 HB2 ALA 11 0.020 3.973 9.958
78 HB3 ALA 11 HB3 ALA 11 1.553 3.382 10.601
79 H SER 12 HN SER 12 -2.242 1.056 10.554
80 HA SER 12 HA SER 12 -4.113 2.843 12.006
81 HB2 SER 12 HB2 SER 12 -4.281 2.885 9.504
82 HB3 SER 12 HB1 SER 12 -4.668 1.168 9.543
83 HG SER 12 HG SER 12 -6.153 3.378 10.406
84 H LEU 13 HN LEU 13 -2.858 0.771 13.347
85 HA LEU 13 HA LEU 13 -5.164 -0.857 14.059
86 HB2 LEU 13 HB2 LEU 13 -4.367 -2.379 12.494
87 HB3 LEU 13 HB1 LEU 13 -2.685 -1.988 12.788
88 HG LEU 13 HG LEU 13 -2.827 -3.126 15.006
89 HD11 LEU 13 HD11 LEU 13 -5.664 -3.705 14.103
90 HD12 LEU 13 HD12 LEU 13 -5.191 -2.716 15.484
91 HD13 LEU 13 HD13 LEU 13 -4.881 -4.452 15.495
92 HD21 LEU 13 HD21 LEU 13 -3.847 -4.772 12.671
93 HD22 LEU 13 HD22 LEU 13 -3.112 -5.427 14.135
94 HD23 LEU 13 HD23 LEU 13 -2.155 -4.431 13.038
95 HA PRO 14 HA PRO 14 -1.898 -1.438 17.569
96 HB2 PRO 14 HB2 PRO 14 0.483 -0.050 17.321
97 HB3 PRO 14 HB1 PRO 14 0.263 -1.732 16.797
98 HG2 PRO 14 HG2 PRO 14 0.112 0.778 15.172
99 HG3 PRO 14 HG1 PRO 14 0.955 -0.741 14.811
100 HD2 PRO 14 HD2 PRO 14 -1.417 -0.231 13.689
101 HD3 PRO 14 HD1 PRO 14 -1.023 -1.866 14.272
102 H LEU 15 HN LEU 15 -1.335 1.744 16.025
103 HA LEU 15 HA LEU 15 -1.404 3.253 18.402
104 HB2 LEU 15 HB2 LEU 15 -1.987 4.025 15.537
105 HB3 LEU 15 HB1 LEU 15 -1.863 5.187 16.854
106 HG LEU 15 HG LEU 15 0.328 3.208 16.172
107 HD11 LEU 15 HD11 LEU 15 1.447 5.279 15.177
108 HD12 LEU 15 HD12 LEU 15 -0.148 6.035 15.207
109 HD13 LEU 15 HD13 LEU 15 0.123 4.586 14.238
110 HD21 LEU 15 HD21 LEU 15 0.048 5.530 18.077
111 HD22 LEU 15 HD22 LEU 15 1.632 5.181 17.389
112 HD23 LEU 15 HD23 LEU 15 0.797 3.956 18.337
113 H LEU 16 HN LEU 16 -3.950 2.446 16.067
114 HA LEU 16 HA LEU 16 -6.004 3.977 17.267
115 HB2 LEU 16 HB2 LEU 16 -6.161 1.449 15.609
116 HB3 LEU 16 HB1 LEU 16 -7.541 2.466 16.022
117 HG LEU 16 HG LEU 16 -5.095 3.402 14.492
118 HD11 LEU 16 HD11 LEU 16 -6.443 3.293 12.516
119 HD12 LEU 16 HD12 LEU 16 -7.898 2.939 13.448
120 HD13 LEU 16 HD13 LEU 16 -6.615 1.735 13.325
121 HD21 LEU 16 HD21 LEU 16 -7.590 4.753 15.501
122 HD22 LEU 16 HD22 LEU 16 -6.916 5.279 13.960
123 HD23 LEU 16 HD23 LEU 16 -5.939 5.366 15.421
124 H ASN 17 HN ASN 17 -4.860 0.691 17.758
125 HA ASN 17 HA ASN 17 -6.892 -0.215 19.471
126 HB2 ASN 17 HB2 ASN 17 -3.992 -0.967 19.126
127 HB3 ASN 17 HB1 ASN 17 -5.002 -1.754 20.338
128 HD21 ASN 17 HD21 ASN 17 -3.954 -3.258 18.171
129 HD22 ASN 17 HD22 ASN 17 -5.233 -3.709 17.150
130 H VAL 18 HN VAL 18 -3.901 1.578 20.146
131 HA VAL 18 HA VAL 18 -4.040 1.443 22.964
132 HB VAL 18 HB VAL 18 -2.823 3.512 21.121
133 HG11 VAL 18 HG11 VAL 18 -3.173 4.644 23.198
134 HG12 VAL 18 HG12 VAL 18 -1.495 4.100 23.227
135 HG13 VAL 18 HG13 VAL 18 -2.725 3.217 24.132
136 HG21 VAL 18 HG21 VAL 18 -1.561 1.331 22.810
137 HG22 VAL 18 HG22 VAL 18 -0.742 2.370 21.643
138 HG23 VAL 18 HG23 VAL 18 -1.909 1.168 21.088
139 H ILE 19 HN ILE 19 -5.247 3.871 20.661
140 HA ILE 19 HA ILE 19 -6.438 5.557 22.622
141 HB ILE 19 HB ILE 19 -7.190 5.260 19.707
142 HG12 ILE 19 HG12 ILE 19 -4.797 5.680 19.883
143 HG13 ILE 19 HG11 ILE 19 -5.598 7.159 19.364
144 HG21 ILE 19 HG21 ILE 19 -7.566 7.482 21.732
145 HG22 ILE 19 HG22 ILE 19 -8.830 6.537 20.946
146 HG23 ILE 19 HG23 ILE 19 -7.856 7.664 20.002
147 HD11 ILE 19 HD11 ILE 19 -5.656 7.684 21.958
148 HD12 ILE 19 HD12 ILE 19 -4.183 7.962 21.033
149 HD13 ILE 19 HD13 ILE 19 -4.345 6.506 22.013
150 H ALA 20 HN ALA 20 -7.658 2.942 20.577
151 HA ALA 20 HA ALA 20 -10.349 3.150 21.618
152 HB1 ALA 20 HB1 ALA 20 -10.843 1.283 20.175
153 HB2 ALA 20 HB2 ALA 20 -9.128 0.925 19.975
154 HB3 ALA 20 HB3 ALA 20 -9.807 2.400 19.286
155 HN1 NH2 21 H2 NH2 21 -8.232 0.681 23.931
156 HN2 NH2 21 H1 NH2 21 -7.528 1.854 22.926
Start of MODEL 17
1 H1 ACE 0 HA2 ACE 0 -1.253 -5.506 8.764
2 H2 ACE 0 HA3 ACE 0 -0.066 -5.824 10.028
3 H3 ACE 0 HA1 ACE 0 -1.332 -7.003 9.690
4 H LEU 1 HN LEU 1 -1.229 -8.217 7.734
5 HA LEU 1 HA LEU 1 1.501 -8.710 6.820
6 HB2 LEU 1 HB2 LEU 1 -1.131 -10.106 6.305
7 HB3 LEU 1 HB1 LEU 1 0.408 -10.641 5.635
8 HG LEU 1 HG LEU 1 -0.072 -10.273 8.607
9 HD11 LEU 1 HD11 LEU 1 -1.609 -11.978 7.815
10 HD12 LEU 1 HD12 LEU 1 -0.271 -12.777 8.642
11 HD13 LEU 1 HD13 LEU 1 -0.329 -12.752 6.880
12 HD21 LEU 1 HD21 LEU 1 2.141 -11.451 6.917
13 HD22 LEU 1 HD22 LEU 1 1.891 -12.017 8.566
14 HD23 LEU 1 HD23 LEU 1 2.262 -10.323 8.267
15 H GLY 2 HN GLY 2 -1.093 -6.796 5.895
16 HA2 GLY 2 HA2 GLY 2 0.027 -6.466 3.180
17 HA3 GLY 2 HA1 GLY 2 -1.699 -6.746 3.367
18 H LEU 3 HN LEU 3 -1.710 -5.160 5.919
19 HA LEU 3 HA LEU 3 -2.150 -2.585 4.664
20 HB2 LEU 3 HB2 LEU 3 -2.546 -3.549 7.500
21 HB3 LEU 3 HB1 LEU 3 -2.972 -1.935 6.936
22 HG LEU 3 HG LEU 3 -4.051 -4.506 5.742
23 HD11 LEU 3 HD11 LEU 3 -5.363 -2.553 7.657
24 HD12 LEU 3 HD12 LEU 3 -4.796 -4.170 8.077
25 HD13 LEU 3 HD13 LEU 3 -6.129 -3.972 6.940
26 HD21 LEU 3 HD21 LEU 3 -4.347 -2.928 4.051
27 HD22 LEU 3 HD22 LEU 3 -4.451 -1.573 5.175
28 HD23 LEU 3 HD23 LEU 3 -5.823 -2.662 4.973
29 H LEU 4 HN LEU 4 0.444 -4.099 6.274
30 HA LEU 4 HA LEU 4 1.556 -1.915 7.666
31 HB2 LEU 4 HB2 LEU 4 2.341 -4.217 7.985
32 HB3 LEU 4 HB1 LEU 4 2.943 -4.257 6.331
33 HG LEU 4 HG LEU 4 4.538 -2.459 6.841
34 HD11 LEU 4 HD11 LEU 4 3.585 -1.079 8.465
35 HD12 LEU 4 HD12 LEU 4 4.750 -1.976 9.433
36 HD13 LEU 4 HD13 LEU 4 3.049 -2.434 9.458
37 HD21 LEU 4 HD21 LEU 4 5.257 -4.766 7.234
38 HD22 LEU 4 HD22 LEU 4 4.562 -4.730 8.855
39 HD23 LEU 4 HD23 LEU 4 5.950 -3.713 8.468
40 H SER 5 HN SER 5 2.051 -3.067 4.334
41 HA SER 5 HA SER 5 3.914 -1.067 3.579
42 HB2 SER 5 HB2 SER 5 3.558 -3.131 2.276
43 HB3 SER 5 HB1 SER 5 1.932 -2.594 1.868
44 HG SER 5 HG SER 5 3.102 -0.637 1.053
45 H TYR 6 HN TYR 6 0.393 -1.295 3.346
46 HA TYR 6 HA TYR 6 -0.059 1.126 1.979
47 HB2 TYR 6 HB2 TYR 6 -1.780 -0.577 2.145
48 HB3 TYR 6 HB1 TYR 6 -1.820 -0.410 3.898
49 HD1 TYR 6 HD2 TYR 6 -2.193 1.639 0.778
50 HD2 TYR 6 HD1 TYR 6 -3.367 1.052 4.871
51 HE1 TYR 6 HE2 TYR 6 -3.864 3.463 0.566
52 HE2 TYR 6 HE1 TYR 6 -5.032 2.868 4.658
53 HH TYR 6 HH TYR 6 -5.783 4.532 3.362
54 H GLY 7 HN GLY 7 0.148 0.360 5.430
55 HA2 GLY 7 HA2 GLY 7 -0.628 2.859 6.456
56 HA3 GLY 7 HA1 GLY 7 0.410 1.701 7.282
57 H ALA 8 HN ALA 8 2.456 1.684 5.236
58 HA ALA 8 HA ALA 8 4.450 2.724 4.805
59 HB1 ALA 8 HB1 ALA 8 2.726 5.197 4.655
60 HB2 ALA 8 HB2 ALA 8 2.946 4.044 3.340
61 HB3 ALA 8 HB3 ALA 8 4.318 4.980 3.935
62 H GLY 9 HN GLY 9 2.904 3.129 7.639
63 HA2 GLY 9 HA2 GLY 9 3.884 3.603 9.704
64 HA3 GLY 9 HA1 GLY 9 5.243 4.347 8.870
65 H VAL 10 HN VAL 10 2.038 5.274 7.968
66 HA VAL 10 HA VAL 10 2.479 8.017 8.508
67 HB VAL 10 HB VAL 10 -0.083 6.487 8.006
68 HG11 VAL 10 HG11 VAL 10 -0.712 8.522 9.107
69 HG12 VAL 10 HG12 VAL 10 -0.937 8.807 7.381
70 HG13 VAL 10 HG13 VAL 10 0.481 9.456 8.203
71 HG21 VAL 10 HG21 VAL 10 1.795 6.639 6.226
72 HG22 VAL 10 HG22 VAL 10 1.384 8.348 6.129
73 HG23 VAL 10 HG23 VAL 10 0.175 7.127 5.739
74 H ALA 11 HN ALA 11 1.394 5.393 10.434
75 HA ALA 11 HA ALA 11 1.121 5.285 12.726
76 HB1 ALA 11 HB1 ALA 11 0.838 8.267 12.978
77 HB2 ALA 11 HB2 ALA 11 2.430 7.571 12.677
78 HB3 ALA 11 HB3 ALA 11 1.523 7.106 14.115
79 H SER 12 HN SER 12 -0.845 6.902 10.484
80 HA SER 12 HA SER 12 -3.170 7.120 12.231
81 HB2 SER 12 HB2 SER 12 -2.845 7.565 9.255
82 HB3 SER 12 HB1 SER 12 -4.325 7.859 10.160
83 HG SER 12 HG SER 12 -3.237 9.777 10.097
84 H LEU 13 HN LEU 13 -1.647 4.724 10.432
85 HA LEU 13 HA LEU 13 -4.125 3.111 10.263
86 HB2 LEU 13 HB2 LEU 13 -2.162 3.738 8.258
87 HB3 LEU 13 HB1 LEU 13 -2.063 2.014 8.577
88 HG LEU 13 HG LEU 13 -3.643 2.445 6.775
89 HD11 LEU 13 HD11 LEU 13 -5.240 0.957 7.477
90 HD12 LEU 13 HD12 LEU 13 -5.541 1.801 8.994
91 HD13 LEU 13 HD13 LEU 13 -4.123 0.766 8.825
92 HD21 LEU 13 HD21 LEU 13 -5.536 3.905 8.594
93 HD22 LEU 13 HD22 LEU 13 -5.374 3.982 6.842
94 HD23 LEU 13 HD23 LEU 13 -4.207 4.812 7.867
95 HA PRO 14 HA PRO 14 -0.486 0.131 11.635
96 HB2 PRO 14 HB2 PRO 14 1.246 2.167 12.992
97 HB3 PRO 14 HB1 PRO 14 1.711 0.721 12.072
98 HG2 PRO 14 HG2 PRO 14 1.971 3.141 11.016
99 HG3 PRO 14 HG1 PRO 14 1.428 1.771 10.028
100 HD2 PRO 14 HD2 PRO 14 -0.189 4.019 11.193
101 HD3 PRO 14 HD1 PRO 14 -0.346 3.220 9.613
102 H LEU 15 HN LEU 15 -0.992 3.044 13.653
103 HA LEU 15 HA LEU 15 -1.121 1.669 16.116
104 HB2 LEU 15 HB2 LEU 15 -2.247 4.333 15.244
105 HB3 LEU 15 HB1 LEU 15 -2.345 3.745 16.901
106 HG LEU 15 HG LEU 15 0.244 4.063 15.350
107 HD11 LEU 15 HD11 LEU 15 -1.049 5.854 17.428
108 HD12 LEU 15 HD12 LEU 15 -0.783 6.246 15.729
109 HD13 LEU 15 HD13 LEU 15 0.593 6.049 16.815
110 HD21 LEU 15 HD21 LEU 15 0.804 2.557 17.029
111 HD22 LEU 15 HD22 LEU 15 -0.465 3.116 18.114
112 HD23 LEU 15 HD23 LEU 15 1.011 4.058 17.924
113 H LEU 16 HN LEU 16 -3.638 2.615 13.808
114 HA LEU 16 HA LEU 16 -5.846 1.788 15.361
115 HB2 LEU 16 HB2 LEU 16 -5.391 2.199 12.412
116 HB3 LEU 16 HB1 LEU 16 -6.910 1.509 12.982
117 HG LEU 16 HG LEU 16 -7.240 3.464 14.461
118 HD11 LEU 16 HD11 LEU 16 -5.699 5.459 13.980
119 HD12 LEU 16 HD12 LEU 16 -4.603 4.297 13.232
120 HD13 LEU 16 HD13 LEU 16 -5.007 4.152 14.942
121 HD21 LEU 16 HD21 LEU 16 -8.176 3.501 12.187
122 HD22 LEU 16 HD22 LEU 16 -6.661 4.151 11.560
123 HD23 LEU 16 HD23 LEU 16 -7.651 5.122 12.652
124 H ASN 17 HN ASN 17 -3.805 0.062 13.036
125 HA ASN 17 HA ASN 17 -5.264 -2.347 12.974
126 HB2 ASN 17 HB2 ASN 17 -3.529 -1.845 11.339
127 HB3 ASN 17 HB1 ASN 17 -2.303 -1.846 12.607
128 HD21 ASN 17 HD21 ASN 17 -4.684 -3.983 10.982
129 HD22 ASN 17 HD22 ASN 17 -3.841 -5.420 11.302
130 H VAL 18 HN VAL 18 -2.629 -1.244 15.083
131 HA VAL 18 HA VAL 18 -2.334 -3.673 16.525
132 HB VAL 18 HB VAL 18 -1.664 -0.809 17.234
133 HG11 VAL 18 HG11 VAL 18 -1.198 -3.400 18.722
134 HG12 VAL 18 HG12 VAL 18 -1.858 -1.888 19.345
135 HG13 VAL 18 HG13 VAL 18 -0.144 -2.006 18.950
136 HG21 VAL 18 HG21 VAL 18 0.002 -3.186 16.343
137 HG22 VAL 18 HG22 VAL 18 0.642 -1.600 16.766
138 HG23 VAL 18 HG23 VAL 18 -0.398 -1.782 15.356
139 H ILE 19 HN ILE 19 -4.171 -0.702 17.186
140 HA ILE 19 HA ILE 19 -5.277 -1.564 19.650
141 HB ILE 19 HB ILE 19 -6.223 0.472 17.621
142 HG12 ILE 19 HG12 ILE 19 -4.064 0.987 18.680
143 HG13 ILE 19 HG11 ILE 19 -5.307 2.104 19.222
144 HG21 ILE 19 HG21 ILE 19 -7.525 1.353 19.671
145 HG22 ILE 19 HG22 ILE 19 -7.302 -0.265 20.336
146 HG23 ILE 19 HG23 ILE 19 -8.183 -0.048 18.823
147 HD11 ILE 19 HD11 ILE 19 -5.503 0.186 21.165
148 HD12 ILE 19 HD12 ILE 19 -4.463 1.600 21.286
149 HD13 ILE 19 HD13 ILE 19 -3.795 0.061 20.751
150 H ALA 20 HN ALA 20 -6.436 -1.701 16.303
151 HA ALA 20 HA ALA 20 -8.932 -2.942 17.000
152 HB1 ALA 20 HB1 ALA 20 -7.622 -3.012 14.283
153 HB2 ALA 20 HB2 ALA 20 -8.435 -1.573 14.899
154 HB3 ALA 20 HB3 ALA 20 -9.342 -3.067 14.669
155 HN1 NH2 21 H2 NH2 21 -6.132 -5.810 16.245
156 HN2 NH2 21 H1 NH2 21 -5.738 -4.173 16.038
Start of MODEL 18
1 H1 ACE 0 HA2 ACE 0 3.863 -4.320 -3.669
2 H2 ACE 0 HA3 ACE 0 5.052 -3.018 -3.747
3 H3 ACE 0 HA1 ACE 0 4.048 -3.211 -2.309
4 H LEU 1 HN LEU 1 6.862 -3.110 -2.232
5 HA LEU 1 HA LEU 1 8.116 -5.636 -2.188
6 HB2 LEU 1 HB2 LEU 1 8.718 -3.070 -0.713
7 HB3 LEU 1 HB1 LEU 1 9.776 -4.477 -0.680
8 HG LEU 1 HG LEU 1 8.876 -3.113 -3.234
9 HD11 LEU 1 HD11 LEU 1 11.520 -2.817 -1.778
10 HD12 LEU 1 HD12 LEU 1 10.233 -1.612 -1.762
11 HD13 LEU 1 HD13 LEU 1 11.045 -2.012 -3.275
12 HD21 LEU 1 HD21 LEU 1 10.764 -5.368 -2.566
13 HD22 LEU 1 HD22 LEU 1 11.123 -4.338 -3.952
14 HD23 LEU 1 HD23 LEU 1 9.609 -5.232 -3.892
15 H GLY 2 HN GLY 2 6.433 -3.781 0.313
16 HA2 GLY 2 HA2 GLY 2 6.054 -6.246 1.870
17 HA3 GLY 2 HA1 GLY 2 6.845 -4.886 2.666
18 H LEU 3 HN LEU 3 4.161 -4.961 0.342
19 HA LEU 3 HA LEU 3 2.132 -3.861 0.388
20 HB2 LEU 3 HB2 LEU 3 2.091 -5.065 3.164
21 HB3 LEU 3 HB1 LEU 3 0.689 -4.577 2.214
22 HG LEU 3 HG LEU 3 2.678 -6.722 1.407
23 HD11 LEU 3 HD11 LEU 3 1.142 -7.212 3.385
24 HD12 LEU 3 HD12 LEU 3 1.010 -8.322 2.021
25 HD13 LEU 3 HD13 LEU 3 -0.205 -7.067 2.257
26 HD21 LEU 3 HD21 LEU 3 1.791 -5.922 -0.617
27 HD22 LEU 3 HD22 LEU 3 0.234 -5.518 0.106
28 HD23 LEU 3 HD23 LEU 3 0.651 -7.201 -0.210
29 H LEU 4 HN LEU 4 4.580 -2.484 1.643
30 HA LEU 4 HA LEU 4 3.700 -0.852 3.776
31 HB2 LEU 4 HB2 LEU 4 5.812 -0.435 1.656
32 HB3 LEU 4 HB1 LEU 4 5.564 0.679 2.998
33 HG LEU 4 HG LEU 4 6.081 -2.288 3.366
34 HD11 LEU 4 HD11 LEU 4 8.042 -1.425 2.308
35 HD12 LEU 4 HD12 LEU 4 8.408 -1.478 4.032
36 HD13 LEU 4 HD13 LEU 4 7.993 0.055 3.266
37 HD21 LEU 4 HD21 LEU 4 5.827 0.093 5.205
38 HD22 LEU 4 HD22 LEU 4 6.901 -1.226 5.662
39 HD23 LEU 4 HD23 LEU 4 5.192 -1.541 5.397
40 H SER 5 HN SER 5 3.663 -0.341 0.256
41 HA SER 5 HA SER 5 2.649 2.292 0.315
42 HB2 SER 5 HB2 SER 5 2.450 0.130 -1.784
43 HB3 SER 5 HB1 SER 5 1.906 1.785 -2.037
44 HG SER 5 HG SER 5 3.927 2.449 -2.081
45 H TYR 6 HN TYR 6 0.991 -0.843 0.043
46 HA TYR 6 HA TYR 6 -1.626 0.279 -0.109
47 HB2 TYR 6 HB2 TYR 6 -0.672 -2.496 0.625
48 HB3 TYR 6 HB1 TYR 6 -2.366 -2.058 0.393
49 HD1 TYR 6 HD1 TYR 6 -3.106 -1.128 -1.845
50 HD2 TYR 6 HD2 TYR 6 0.762 -2.890 -1.237
51 HE1 TYR 6 HE1 TYR 6 -2.839 -1.391 -4.297
52 HE2 TYR 6 HE2 TYR 6 1.030 -3.154 -3.686
53 HH TYR 6 HH TYR 6 -0.367 -1.622 -5.862
54 H GLY 7 HN GLY 7 0.344 -1.011 2.534
55 HA2 GLY 7 HA2 GLY 7 -1.638 -0.870 4.550
56 HA3 GLY 7 HA1 GLY 7 0.101 -0.917 4.820
57 H ALA 8 HN ALA 8 0.734 1.468 3.359
58 HA ALA 8 HA ALA 8 1.090 3.689 3.875
59 HB1 ALA 8 HB1 ALA 8 -1.888 3.711 4.396
60 HB2 ALA 8 HB2 ALA 8 -1.188 3.701 2.777
61 HB3 ALA 8 HB3 ALA 8 -0.879 5.056 3.862
62 H GLY 9 HN GLY 9 0.909 1.594 6.112
63 HA2 GLY 9 HA2 GLY 9 1.877 2.585 8.287
64 HA3 GLY 9 HA1 GLY 9 0.301 3.365 8.405
65 H VAL 10 HN VAL 10 1.868 0.187 8.149
66 HA VAL 10 HA VAL 10 -0.407 -1.369 8.741
67 HB VAL 10 HB VAL 10 2.540 -1.908 9.160
68 HG11 VAL 10 HG11 VAL 10 1.700 -4.341 9.179
69 HG12 VAL 10 HG12 VAL 10 0.106 -3.667 9.518
70 HG13 VAL 10 HG13 VAL 10 1.435 -3.399 10.647
71 HG21 VAL 10 HG21 VAL 10 2.156 -3.353 7.134
72 HG22 VAL 10 HG22 VAL 10 1.932 -1.632 6.826
73 HG23 VAL 10 HG23 VAL 10 0.529 -2.682 7.024
74 H ALA 11 HN ALA 11 2.137 -0.047 10.844
75 HA ALA 11 HA ALA 11 1.061 -1.151 13.250
76 HB1 ALA 11 HB1 ALA 11 2.879 1.248 13.009
77 HB2 ALA 11 HB2 ALA 11 3.450 -0.417 12.887
78 HB3 ALA 11 HB3 ALA 11 2.713 0.156 14.383
79 H SER 12 HN SER 12 0.277 1.595 11.344
80 HA SER 12 HA SER 12 -0.772 3.299 13.352
81 HB2 SER 12 HB2 SER 12 -0.217 4.004 11.019
82 HB3 SER 12 HB1 SER 12 -1.628 3.112 10.458
83 HG SER 12 HG SER 12 -2.546 4.986 10.852
84 H LEU 13 HN LEU 13 -1.839 0.290 12.323
85 HA LEU 13 HA LEU 13 -4.683 0.852 12.707
86 HB2 LEU 13 HB2 LEU 13 -3.064 -1.362 11.571
87 HB3 LEU 13 HB1 LEU 13 -4.561 -1.852 12.355
88 HG LEU 13 HG LEU 13 -4.795 -1.405 9.899
89 HD11 LEU 13 HD11 LEU 13 -6.614 -0.915 11.800
90 HD12 LEU 13 HD12 LEU 13 -6.919 -0.537 10.109
91 HD13 LEU 13 HD13 LEU 13 -6.426 0.739 11.215
92 HD21 LEU 13 HD21 LEU 13 -3.098 0.587 10.104
93 HD22 LEU 13 HD22 LEU 13 -4.530 1.538 10.500
94 HD23 LEU 13 HD23 LEU 13 -4.426 0.706 8.951
95 HA PRO 14 HA PRO 14 -4.162 -2.323 16.300
96 HB2 PRO 14 HB2 PRO 14 -1.547 -2.849 17.091
97 HB3 PRO 14 HB1 PRO 14 -2.486 -3.869 15.985
98 HG2 PRO 14 HG2 PRO 14 -0.473 -1.752 15.349
99 HG3 PRO 14 HG1 PRO 14 -0.675 -3.364 14.631
100 HD2 PRO 14 HD2 PRO 14 -1.576 -1.192 13.356
101 HD3 PRO 14 HD1 PRO 14 -2.513 -2.705 13.339
102 H LEU 15 HN LEU 15 -1.587 0.141 16.117
103 HA LEU 15 HA LEU 15 -1.521 0.755 18.871
104 HB2 LEU 15 HB2 LEU 15 -0.857 2.436 16.446
105 HB3 LEU 15 HB1 LEU 15 -0.518 2.929 18.103
106 HG LEU 15 HG LEU 15 0.500 0.357 16.860
107 HD11 LEU 15 HD11 LEU 15 2.682 1.535 16.726
108 HD12 LEU 15 HD12 LEU 15 1.890 3.024 17.245
109 HD13 LEU 15 HD13 LEU 15 1.460 2.290 15.701
110 HD21 LEU 15 HD21 LEU 15 2.188 0.768 18.869
111 HD22 LEU 15 HD22 LEU 15 0.630 0.010 19.170
112 HD23 LEU 15 HD23 LEU 15 0.859 1.721 19.526
113 H LEU 16 HN LEU 16 -3.379 2.116 16.196
114 HA LEU 16 HA LEU 16 -4.671 4.148 17.685
115 HB2 LEU 16 HB2 LEU 16 -5.203 2.781 15.063
116 HB3 LEU 16 HB1 LEU 16 -6.414 3.866 15.734
117 HG LEU 16 HG LEU 16 -4.721 4.897 14.107
118 HD11 LEU 16 HD11 LEU 16 -4.626 6.260 16.797
119 HD12 LEU 16 HD12 LEU 16 -6.135 6.134 15.898
120 HD13 LEU 16 HD13 LEU 16 -4.760 6.979 15.196
121 HD21 LEU 16 HD21 LEU 16 -2.773 3.649 15.263
122 HD22 LEU 16 HD22 LEU 16 -2.855 4.918 16.482
123 HD23 LEU 16 HD23 LEU 16 -2.507 5.327 14.805
124 H ASN 17 HN ASN 17 -5.475 0.780 17.017
125 HA ASN 17 HA ASN 17 -8.102 0.783 18.016
126 HB2 ASN 17 HB2 ASN 17 -7.223 -1.089 16.729
127 HB3 ASN 17 HB1 ASN 17 -6.047 -1.439 17.995
128 HD21 ASN 17 HD21 ASN 17 -9.274 -2.053 16.941
129 HD22 ASN 17 HD22 ASN 17 -9.802 -2.866 18.334
130 H VAL 18 HN VAL 18 -4.985 0.309 19.646
131 HA VAL 18 HA VAL 18 -6.016 -0.407 22.180
132 HB VAL 18 HB VAL 18 -3.435 0.986 21.423
133 HG11 VAL 18 HG11 VAL 18 -4.419 -0.177 24.036
134 HG12 VAL 18 HG12 VAL 18 -3.804 1.450 23.740
135 HG13 VAL 18 HG13 VAL 18 -2.708 0.069 23.694
136 HG21 VAL 18 HG21 VAL 18 -2.459 -1.207 21.535
137 HG22 VAL 18 HG22 VAL 18 -3.904 -1.351 20.536
138 HG23 VAL 18 HG23 VAL 18 -3.935 -1.896 22.212
139 H ILE 19 HN ILE 19 -5.100 2.727 20.788
140 HA ILE 19 HA ILE 19 -5.716 4.300 23.064
141 HB ILE 19 HB ILE 19 -5.667 4.970 20.111
142 HG12 ILE 19 HG12 ILE 19 -3.497 4.265 21.018
143 HG13 ILE 19 HG11 ILE 19 -3.476 5.986 20.657
144 HG21 ILE 19 HG21 ILE 19 -5.421 7.353 20.977
145 HG22 ILE 19 HG22 ILE 19 -5.971 6.745 22.538
146 HG23 ILE 19 HG23 ILE 19 -7.027 6.643 21.130
147 HD11 ILE 19 HD11 ILE 19 -3.406 4.599 23.305
148 HD12 ILE 19 HD12 ILE 19 -4.218 6.160 23.230
149 HD13 ILE 19 HD13 ILE 19 -2.526 6.024 22.764
150 H ALA 20 HN ALA 20 -7.588 3.334 20.219
151 HA ALA 20 HA ALA 20 -9.953 4.761 20.999
152 HB1 ALA 20 HB1 ALA 20 -9.423 2.592 18.965
153 HB2 ALA 20 HB2 ALA 20 -9.688 4.310 18.673
154 HB3 ALA 20 HB3 ALA 20 -11.021 3.291 19.221
155 HN1 NH2 21 H2 NH2 21 -10.000 1.067 22.676
156 HN2 NH2 21 H1 NH2 21 -8.646 1.615 21.813
Start of MODEL 19
1 H1 ACE 0 HA2 ACE 0 7.198 -0.595 -0.348
2 H2 ACE 0 HA3 ACE 0 6.160 -0.317 -1.746
3 H3 ACE 0 HA1 ACE 0 7.905 -0.099 -1.887
4 H LEU 1 HN LEU 1 7.762 -2.643 0.054
5 HA LEU 1 HA LEU 1 8.515 -4.535 -1.904
6 HB2 LEU 1 HB2 LEU 1 7.616 -4.878 0.964
7 HB3 LEU 1 HB1 LEU 1 8.247 -6.192 -0.023
8 HG LEU 1 HG LEU 1 9.756 -3.610 0.467
9 HD11 LEU 1 HD11 LEU 1 9.429 -4.692 2.614
10 HD12 LEU 1 HD12 LEU 1 11.092 -4.970 2.097
11 HD13 LEU 1 HD13 LEU 1 9.895 -6.255 1.941
12 HD21 LEU 1 HD21 LEU 1 10.755 -4.619 -1.401
13 HD22 LEU 1 HD22 LEU 1 10.396 -6.252 -0.845
14 HD23 LEU 1 HD23 LEU 1 11.688 -5.326 -0.088
15 H GLY 2 HN GLY 2 5.480 -3.934 -0.200
16 HA2 GLY 2 HA2 GLY 2 3.694 -4.557 -2.140
17 HA3 GLY 2 HA1 GLY 2 4.110 -6.137 -1.482
18 H LEU 3 HN LEU 3 4.512 -5.287 1.220
19 HA LEU 3 HA LEU 3 1.697 -4.937 2.037
20 HB2 LEU 3 HB2 LEU 3 4.112 -5.884 3.600
21 HB3 LEU 3 HB1 LEU 3 2.462 -5.798 4.216
22 HG LEU 3 HG LEU 3 3.328 -7.454 1.826
23 HD11 LEU 3 HD11 LEU 3 3.192 -9.374 3.267
24 HD12 LEU 3 HD12 LEU 3 2.537 -8.409 4.590
25 HD13 LEU 3 HD13 LEU 3 4.214 -8.193 4.087
26 HD21 LEU 3 HD21 LEU 3 1.045 -7.077 1.478
27 HD22 LEU 3 HD22 LEU 3 0.693 -6.947 3.201
28 HD23 LEU 3 HD23 LEU 3 0.989 -8.526 2.476
29 H LEU 4 HN LEU 4 4.701 -3.290 1.935
30 HA LEU 4 HA LEU 4 4.441 -1.617 4.187
31 HB2 LEU 4 HB2 LEU 4 6.556 -1.846 2.980
32 HB3 LEU 4 HB1 LEU 4 5.839 -1.110 1.550
33 HG LEU 4 HG LEU 4 5.509 0.998 2.757
34 HD11 LEU 4 HD11 LEU 4 6.454 -0.649 5.098
35 HD12 LEU 4 HD12 LEU 4 5.084 0.458 5.001
36 HD13 LEU 4 HD13 LEU 4 6.725 1.093 5.085
37 HD21 LEU 4 HD21 LEU 4 7.848 1.629 3.007
38 HD22 LEU 4 HD22 LEU 4 7.703 0.508 1.655
39 HD23 LEU 4 HD23 LEU 4 8.317 -0.059 3.206
40 H SER 5 HN SER 5 3.330 -1.250 0.838
41 HA SER 5 HA SER 5 2.420 1.399 1.021
42 HB2 SER 5 HB2 SER 5 2.639 0.201 -1.112
43 HB3 SER 5 HB1 SER 5 1.313 -0.864 -0.657
44 HG SER 5 HG SER 5 0.515 0.818 -1.910
45 H TYR 6 HN TYR 6 0.682 -1.659 1.624
46 HA TYR 6 HA TYR 6 -1.798 -0.417 2.251
47 HB2 TYR 6 HB2 TYR 6 -0.687 -3.132 2.989
48 HB3 TYR 6 HB1 TYR 6 -2.348 -2.625 3.296
49 HD1 TYR 6 HD2 TYR 6 -3.787 -1.886 1.322
50 HD2 TYR 6 HD1 TYR 6 -0.027 -3.904 0.843
51 HE1 TYR 6 HE2 TYR 6 -4.401 -2.479 -1.006
52 HE2 TYR 6 HE1 TYR 6 -0.640 -4.496 -1.484
53 HH TYR 6 HH TYR 6 -3.774 -4.257 -2.676
54 H GLY 7 HN GLY 7 0.953 -1.481 4.202
55 HA2 GLY 7 HA2 GLY 7 -0.305 -0.444 6.656
56 HA3 GLY 7 HA1 GLY 7 1.145 -1.441 6.568
57 H ALA 8 HN ALA 8 0.660 1.324 4.487
58 HA ALA 8 HA ALA 8 3.142 2.491 5.065
59 HB1 ALA 8 HB1 ALA 8 2.326 4.439 3.856
60 HB2 ALA 8 HB2 ALA 8 0.662 3.883 4.031
61 HB3 ALA 8 HB3 ALA 8 1.794 2.972 3.033
62 H GLY 9 HN GLY 9 -0.104 3.265 6.302
63 HA2 GLY 9 HA2 GLY 9 1.157 4.630 8.612
64 HA3 GLY 9 HA1 GLY 9 -0.154 5.405 7.726
65 H VAL 10 HN VAL 10 -1.619 2.955 7.223
66 HA VAL 10 HA VAL 10 -3.236 2.891 9.538
67 HB VAL 10 HB VAL 10 -3.049 0.964 7.210
68 HG11 VAL 10 HG11 VAL 10 -4.122 -0.240 8.959
69 HG12 VAL 10 HG12 VAL 10 -5.437 0.420 7.989
70 HG13 VAL 10 HG13 VAL 10 -4.995 1.188 9.512
71 HG21 VAL 10 HG21 VAL 10 -4.955 2.194 6.345
72 HG22 VAL 10 HG22 VAL 10 -3.678 3.351 6.717
73 HG23 VAL 10 HG23 VAL 10 -5.046 3.166 7.813
74 H ALA 11 HN ALA 11 -0.826 0.598 8.287
75 HA ALA 11 HA ALA 11 0.215 -1.206 9.269
76 HB1 ALA 11 HB1 ALA 11 -0.053 0.541 11.726
77 HB2 ALA 11 HB2 ALA 11 1.235 0.659 10.527
78 HB3 ALA 11 HB3 ALA 11 1.081 -0.793 11.515
79 H SER 12 HN SER 12 -2.622 -1.434 9.078
80 HA SER 12 HA SER 12 -4.273 -2.876 9.763
81 HB2 SER 12 HB2 SER 12 -2.168 -4.339 10.194
82 HB3 SER 12 HB1 SER 12 -2.442 -3.961 11.890
83 HG SER 12 HG SER 12 -4.005 -5.349 11.864
84 H LEU 13 HN LEU 13 -3.423 -0.276 11.244
85 HA LEU 13 HA LEU 13 -4.158 0.977 13.012
86 HB2 LEU 13 HB2 LEU 13 -6.311 0.024 11.770
87 HB3 LEU 13 HB1 LEU 13 -6.546 -0.837 13.285
88 HG LEU 13 HG LEU 13 -6.046 2.154 13.280
89 HD11 LEU 13 HD11 LEU 13 -7.923 1.868 11.785
90 HD12 LEU 13 HD12 LEU 13 -8.539 2.408 13.347
91 HD13 LEU 13 HD13 LEU 13 -8.678 0.712 12.883
92 HD21 LEU 13 HD21 LEU 13 -5.944 0.863 15.418
93 HD22 LEU 13 HD22 LEU 13 -7.593 0.316 15.134
94 HD23 LEU 13 HD23 LEU 13 -7.266 2.028 15.399
95 HA PRO 14 HA PRO 14 -3.026 -2.107 16.248
96 HB2 PRO 14 HB2 PRO 14 -0.362 -1.708 16.414
97 HB3 PRO 14 HB1 PRO 14 -1.075 -2.698 15.125
98 HG2 PRO 14 HG2 PRO 14 0.103 0.012 14.967
99 HG3 PRO 14 HG1 PRO 14 -0.076 -1.214 13.704
100 HD2 PRO 14 HD2 PRO 14 -1.804 1.065 14.219
101 HD3 PRO 14 HD1 PRO 14 -1.949 -0.147 12.933
102 H LEU 15 HN LEU 15 -0.965 0.806 16.175
103 HA LEU 15 HA LEU 15 -1.064 1.288 18.949
104 HB2 LEU 15 HB2 LEU 15 -0.401 3.101 16.622
105 HB3 LEU 15 HB1 LEU 15 -0.184 3.564 18.308
106 HG LEU 15 HG LEU 15 1.064 1.087 17.078
107 HD11 LEU 15 HD11 LEU 15 3.170 2.439 17.055
108 HD12 LEU 15 HD12 LEU 15 2.219 3.864 17.474
109 HD13 LEU 15 HD13 LEU 15 1.950 3.045 15.935
110 HD21 LEU 15 HD21 LEU 15 1.263 2.486 19.746
111 HD22 LEU 15 HD22 LEU 15 2.652 1.595 19.134
112 HD23 LEU 15 HD23 LEU 15 1.127 0.763 19.402
113 H LEU 16 HN LEU 16 -2.933 2.618 16.258
114 HA LEU 16 HA LEU 16 -4.342 4.579 17.704
115 HB2 LEU 16 HB2 LEU 16 -5.080 3.005 15.234
116 HB3 LEU 16 HB1 LEU 16 -6.028 4.358 15.840
117 HG LEU 16 HG LEU 16 -3.078 4.554 15.169
118 HD11 LEU 16 HD11 LEU 16 -3.894 5.707 13.086
119 HD12 LEU 16 HD12 LEU 16 -5.521 5.150 13.478
120 HD13 LEU 16 HD13 LEU 16 -4.247 3.979 13.134
121 HD21 LEU 16 HD21 LEU 16 -5.238 6.513 15.953
122 HD22 LEU 16 HD22 LEU 16 -3.909 7.053 14.929
123 HD23 LEU 16 HD23 LEU 16 -3.576 6.400 16.529
124 H ASN 17 HN ASN 17 -4.987 1.163 17.118
125 HA ASN 17 HA ASN 17 -7.587 1.036 18.174
126 HB2 ASN 17 HB2 ASN 17 -6.585 -0.814 16.918
127 HB3 ASN 17 HB1 ASN 17 -5.416 -1.073 18.210
128 HD21 ASN 17 HD21 ASN 17 -6.849 -3.289 17.766
129 HD22 ASN 17 HD22 ASN 17 -8.099 -3.494 18.895
130 H VAL 18 HN VAL 18 -4.424 0.769 19.763
131 HA VAL 18 HA VAL 18 -5.378 0.056 22.325
132 HB VAL 18 HB VAL 18 -2.869 1.506 21.455
133 HG11 VAL 18 HG11 VAL 18 -2.064 0.740 23.771
134 HG12 VAL 18 HG12 VAL 18 -3.769 0.526 24.170
135 HG13 VAL 18 HG13 VAL 18 -3.158 2.123 23.736
136 HG21 VAL 18 HG21 VAL 18 -3.469 -1.354 22.273
137 HG22 VAL 18 HG22 VAL 18 -1.853 -0.723 21.954
138 HG23 VAL 18 HG23 VAL 18 -3.044 -0.796 20.655
139 H ILE 19 HN ILE 19 -4.596 3.227 20.907
140 HA ILE 19 HA ILE 19 -5.324 4.740 23.205
141 HB ILE 19 HB ILE 19 -5.308 5.618 20.308
142 HG12 ILE 19 HG12 ILE 19 -3.149 4.637 20.880
143 HG13 ILE 19 HG11 ILE 19 -2.986 6.388 20.808
144 HG21 ILE 19 HG21 ILE 19 -4.884 7.854 21.293
145 HG22 ILE 19 HG22 ILE 19 -5.059 7.160 22.906
146 HG23 ILE 19 HG23 ILE 19 -6.437 7.191 21.805
147 HD11 ILE 19 HD11 ILE 19 -3.001 4.588 23.221
148 HD12 ILE 19 HD12 ILE 19 -3.458 6.282 23.389
149 HD13 ILE 19 HD13 ILE 19 -1.856 5.856 22.792
150 H ALA 20 HN ALA 20 -7.043 3.799 20.253
151 HA ALA 20 HA ALA 20 -9.498 5.104 21.111
152 HB1 ALA 20 HB1 ALA 20 -9.171 3.189 18.801
153 HB2 ALA 20 HB2 ALA 20 -8.709 4.887 18.693
154 HB3 ALA 20 HB3 ALA 20 -10.387 4.449 19.010
155 HN1 NH2 21 H2 NH2 21 -9.448 1.403 22.497
156 HN2 NH2 21 H1 NH2 21 -8.066 2.335 22.177
Start of MODEL 20
1 H1 ACE 0 HA2 ACE 0 4.699 -2.468 -5.944
2 H2 ACE 0 HA3 ACE 0 5.058 -2.105 -4.257
3 H3 ACE 0 HA1 ACE 0 3.394 -2.051 -4.836
4 H LEU 1 HN LEU 1 5.990 -4.435 -5.307
5 HA LEU 1 HA LEU 1 4.309 -6.691 -5.098
6 HB2 LEU 1 HB2 LEU 1 7.293 -6.352 -4.787
7 HB3 LEU 1 HB1 LEU 1 6.501 -7.924 -4.793
8 HG LEU 1 HG LEU 1 6.171 -5.892 -7.017
9 HD11 LEU 1 HD11 LEU 1 8.053 -8.270 -6.942
10 HD12 LEU 1 HD12 LEU 1 8.554 -6.591 -6.746
11 HD13 LEU 1 HD13 LEU 1 7.851 -7.127 -8.271
12 HD21 LEU 1 HD21 LEU 1 4.428 -7.413 -7.303
13 HD22 LEU 1 HD22 LEU 1 5.318 -8.748 -6.574
14 HD23 LEU 1 HD23 LEU 1 5.694 -8.227 -8.214
15 H GLY 2 HN GLY 2 6.411 -5.092 -2.723
16 HA2 GLY 2 HA2 GLY 2 4.979 -6.512 -0.555
17 HA3 GLY 2 HA1 GLY 2 6.737 -6.441 -0.577
18 H LEU 3 HN LEU 3 6.178 -3.624 -1.842
19 HA LEU 3 HA LEU 3 6.661 -2.197 0.557
20 HB2 LEU 3 HB2 LEU 3 5.961 -1.200 -2.207
21 HB3 LEU 3 HB1 LEU 3 6.558 -0.193 -0.888
22 HG LEU 3 HG LEU 3 8.033 -2.588 -2.031
23 HD11 LEU 3 HD11 LEU 3 9.456 -0.998 -3.167
24 HD12 LEU 3 HD12 LEU 3 8.637 0.363 -2.399
25 HD13 LEU 3 HD13 LEU 3 7.786 -0.620 -3.591
26 HD21 LEU 3 HD21 LEU 3 8.586 -0.631 0.195
27 HD22 LEU 3 HD22 LEU 3 9.947 -1.228 -0.755
28 HD23 LEU 3 HD23 LEU 3 8.918 -2.362 0.113
29 H LEU 4 HN LEU 4 3.785 -3.059 -1.143
30 HA LEU 4 HA LEU 4 2.049 -1.009 -0.267
31 HB2 LEU 4 HB2 LEU 4 1.524 -3.908 -0.948
32 HB3 LEU 4 HB1 LEU 4 0.252 -2.729 -0.647
33 HG LEU 4 HG LEU 4 2.401 -2.407 -2.758
34 HD11 LEU 4 HD11 LEU 4 -0.482 -3.300 -3.066
35 HD12 LEU 4 HD12 LEU 4 0.929 -4.348 -3.214
36 HD13 LEU 4 HD13 LEU 4 0.671 -3.046 -4.377
37 HD21 LEU 4 HD21 LEU 4 0.007 -0.792 -1.896
38 HD22 LEU 4 HD22 LEU 4 0.449 -0.798 -3.603
39 HD23 LEU 4 HD23 LEU 4 1.605 -0.243 -2.398
40 H SER 5 HN SER 5 3.000 -4.095 1.159
41 HA SER 5 HA SER 5 1.274 -3.798 3.449
42 HB2 SER 5 HB2 SER 5 3.498 -5.731 2.784
43 HB3 SER 5 HB1 SER 5 2.570 -5.798 4.281
44 HG SER 5 HG SER 5 1.928 -6.792 1.931
45 H TYR 6 HN TYR 6 4.053 -2.263 2.569
46 HA TYR 6 HA TYR 6 5.683 -2.306 4.854
47 HB2 TYR 6 HB2 TYR 6 6.192 -1.276 2.592
48 HB3 TYR 6 HB1 TYR 6 5.224 0.104 3.092
49 HD1 TYR 6 HD1 TYR 6 5.885 1.377 5.191
50 HD2 TYR 6 HD2 TYR 6 8.414 -1.571 3.359
51 HE1 TYR 6 HE1 TYR 6 7.842 2.290 6.414
52 HE2 TYR 6 HE2 TYR 6 10.366 -0.661 4.576
53 HH TYR 6 HH TYR 6 10.664 0.688 6.824
54 H GLY 7 HN GLY 7 2.994 -0.155 3.967
55 HA2 GLY 7 HA2 GLY 7 1.737 0.167 6.336
56 HA3 GLY 7 HA1 GLY 7 3.109 1.262 6.495
57 H ALA 8 HN ALA 8 0.896 0.413 3.829
58 HA ALA 8 HA ALA 8 0.857 2.997 2.699
59 HB1 ALA 8 HB1 ALA 8 0.171 0.770 1.628
60 HB2 ALA 8 HB2 ALA 8 -0.823 2.177 1.254
61 HB3 ALA 8 HB3 ALA 8 -1.379 0.994 2.436
62 H GLY 9 HN GLY 9 -0.896 1.612 5.357
63 HA2 GLY 9 HA2 GLY 9 -2.550 4.073 5.561
64 HA3 GLY 9 HA1 GLY 9 -3.170 2.475 5.963
65 H VAL 10 HN VAL 10 -0.585 1.650 7.156
66 HA VAL 10 HA VAL 10 0.228 1.501 9.306
67 HB VAL 10 HB VAL 10 0.057 4.504 9.430
68 HG11 VAL 10 HG11 VAL 10 2.384 2.669 10.036
69 HG12 VAL 10 HG12 VAL 10 1.126 2.994 11.227
70 HG13 VAL 10 HG13 VAL 10 2.115 4.316 10.609
71 HG21 VAL 10 HG21 VAL 10 0.703 4.155 7.153
72 HG22 VAL 10 HG22 VAL 10 1.775 2.827 7.595
73 HG23 VAL 10 HG23 VAL 10 2.191 4.480 8.044
74 H ALA 11 HN ALA 11 -2.752 1.784 8.819
75 HA ALA 11 HA ALA 11 -3.816 3.133 11.125
76 HB1 ALA 11 HB1 ALA 11 -5.226 3.002 9.209
77 HB2 ALA 11 HB2 ALA 11 -5.937 1.931 10.417
78 HB3 ALA 11 HB3 ALA 11 -5.003 1.257 9.082
79 H SER 12 HN SER 12 -2.032 0.409 10.893
80 HA SER 12 HA SER 12 -3.542 -1.398 12.537
81 HB2 SER 12 HB2 SER 12 -0.641 -1.378 11.705
82 HB3 SER 12 HB1 SER 12 -1.407 -2.685 12.603
83 HG SER 12 HG SER 12 -1.642 -3.260 10.516
84 H LEU 13 HN LEU 13 -1.820 1.410 13.281
85 HA LEU 13 HA LEU 13 -1.259 0.461 16.036
86 HB2 LEU 13 HB2 LEU 13 0.300 2.045 14.175
87 HB3 LEU 13 HB1 LEU 13 -0.009 2.997 15.621
88 HG LEU 13 HG LEU 13 0.789 0.942 16.953
89 HD11 LEU 13 HD11 LEU 13 0.635 -0.727 15.183
90 HD12 LEU 13 HD12 LEU 13 2.327 -0.547 15.649
91 HD13 LEU 13 HD13 LEU 13 1.736 0.202 14.167
92 HD21 LEU 13 HD21 LEU 13 2.632 2.495 15.115
93 HD22 LEU 13 HD22 LEU 13 3.210 1.496 16.450
94 HD23 LEU 13 HD23 LEU 13 2.188 2.896 16.774
95 HA PRO 14 HA PRO 14 -3.352 4.907 16.499
96 HB2 PRO 14 HB2 PRO 14 -5.052 4.696 14.032
97 HB3 PRO 14 HB1 PRO 14 -4.347 6.136 14.795
98 HG2 PRO 14 HG2 PRO 14 -3.287 5.109 12.588
99 HG3 PRO 14 HG1 PRO 14 -2.258 5.761 13.877
100 HD2 PRO 14 HD2 PRO 14 -2.790 2.905 13.166
101 HD3 PRO 14 HD1 PRO 14 -1.317 3.652 13.803
102 H LEU 15 HN LEU 15 -5.178 2.331 14.794
103 HA LEU 15 HA LEU 15 -7.554 2.615 16.300
104 HB2 LEU 15 HB2 LEU 15 -6.395 0.256 14.803
105 HB3 LEU 15 HB1 LEU 15 -7.992 0.236 15.544
106 HG LEU 15 HG LEU 15 -7.129 2.337 13.535
107 HD11 LEU 15 HD11 LEU 15 -8.472 -0.344 13.128
108 HD12 LEU 15 HD12 LEU 15 -6.998 0.254 12.366
109 HD13 LEU 15 HD13 LEU 15 -8.559 0.955 11.937
110 HD21 LEU 15 HD21 LEU 15 -9.045 3.156 14.643
111 HD22 LEU 15 HD22 LEU 15 -9.739 1.549 14.843
112 HD23 LEU 15 HD23 LEU 15 -9.747 2.321 13.262
113 H LEU 16 HN LEU 16 -4.702 0.569 16.715
114 HA LEU 16 HA LEU 16 -5.630 -0.855 18.978
115 HB2 LEU 16 HB2 LEU 16 -2.908 -0.271 17.826
116 HB3 LEU 16 HB1 LEU 16 -3.063 -1.106 19.371
117 HG LEU 16 HG LEU 16 -4.466 -2.830 18.319
118 HD11 LEU 16 HD11 LEU 16 -5.618 -1.739 16.578
119 HD12 LEU 16 HD12 LEU 16 -4.461 -2.745 15.709
120 HD13 LEU 16 HD13 LEU 16 -4.149 -1.023 15.923
121 HD21 LEU 16 HD21 LEU 16 -2.694 -3.746 16.743
122 HD22 LEU 16 HD22 LEU 16 -2.098 -3.278 18.336
123 HD23 LEU 16 HD23 LEU 16 -1.830 -2.221 16.950
124 H ASN 17 HN ASN 17 -3.861 2.177 18.583
125 HA ASN 17 HA ASN 17 -3.250 2.639 21.291
126 HB2 ASN 17 HB2 ASN 17 -3.723 4.548 18.992
127 HB3 ASN 17 HB1 ASN 17 -3.147 5.055 20.579
128 HD21 ASN 17 HD21 ASN 17 -1.496 2.562 20.948
129 HD22 ASN 17 HD22 ASN 17 -0.165 2.756 19.916
130 H VAL 18 HN VAL 18 -6.099 3.482 19.347
131 HA VAL 18 HA VAL 18 -7.405 5.003 21.357
132 HB VAL 18 HB VAL 18 -8.505 3.474 18.988
133 HG11 VAL 18 HG11 VAL 18 -10.350 3.754 20.465
134 HG12 VAL 18 HG12 VAL 18 -10.458 5.115 19.347
135 HG13 VAL 18 HG13 VAL 18 -9.804 5.353 20.968
136 HG21 VAL 18 HG21 VAL 18 -8.139 6.457 19.351
137 HG22 VAL 18 HG22 VAL 18 -8.446 5.577 17.854
138 HG23 VAL 18 HG23 VAL 18 -6.883 5.435 18.656
139 H ILE 19 HN ILE 19 -7.653 1.593 20.390
140 HA ILE 19 HA ILE 19 -9.612 0.856 22.308
141 HB ILE 19 HB ILE 19 -7.503 -0.775 20.870
142 HG12 ILE 19 HG12 ILE 19 -10.490 -0.619 20.404
143 HG13 ILE 19 HG11 ILE 19 -9.343 0.422 19.562
144 HG21 ILE 19 HG21 ILE 19 -8.119 -2.037 22.809
145 HG22 ILE 19 HG22 ILE 19 -9.092 -2.684 21.486
146 HG23 ILE 19 HG23 ILE 19 -9.814 -1.575 22.653
147 HD11 ILE 19 HD11 ILE 19 -9.974 -1.699 18.318
148 HD12 ILE 19 HD12 ILE 19 -9.123 -2.597 19.575
149 HD13 ILE 19 HD13 ILE 19 -8.244 -1.459 18.555
150 H ALA 20 HN ALA 20 -6.077 0.764 22.295
151 HA ALA 20 HA ALA 20 -5.870 -0.349 24.940
152 HB1 ALA 20 HB1 ALA 20 -3.467 0.124 24.691
153 HB2 ALA 20 HB2 ALA 20 -3.799 1.047 23.225
154 HB3 ALA 20 HB3 ALA 20 -4.104 -0.690 23.262
155 HN1 NH2 21 H2 NH2 21 -5.880 3.721 25.106
156 HN2 NH2 21 H1 NH2 21 -6.039 2.919 23.618
Start of MODEL 21
1 H1 ACE 0 HA2 ACE 0 1.935 -7.144 0.715
2 H2 ACE 0 HA3 ACE 0 3.506 -7.834 0.309
3 H3 ACE 0 HA1 ACE 0 3.412 -6.364 1.280
4 H LEU 1 HN LEU 1 4.150 -6.890 3.259
5 HA LEU 1 HA LEU 1 3.984 -9.448 4.443
6 HB2 LEU 1 HB2 LEU 1 4.436 -6.710 5.635
7 HB3 LEU 1 HB1 LEU 1 4.561 -8.201 6.565
8 HG LEU 1 HG LEU 1 6.136 -7.671 4.027
9 HD11 LEU 1 HD11 LEU 1 7.174 -7.482 6.865
10 HD12 LEU 1 HD12 LEU 1 6.651 -6.073 5.940
11 HD13 LEU 1 HD13 LEU 1 8.011 -7.045 5.377
12 HD21 LEU 1 HD21 LEU 1 6.057 -9.884 6.070
13 HD22 LEU 1 HD22 LEU 1 7.596 -9.504 5.303
14 HD23 LEU 1 HD23 LEU 1 6.220 -9.983 4.317
15 H GLY 2 HN GLY 2 1.981 -6.544 4.777
16 HA2 GLY 2 HA2 GLY 2 -0.425 -7.856 5.211
17 HA3 GLY 2 HA1 GLY 2 0.279 -7.594 6.804
18 H LEU 3 HN LEU 3 -0.457 -5.847 3.784
19 HA LEU 3 HA LEU 3 -1.128 -3.675 3.407
20 HB2 LEU 3 HB2 LEU 3 -2.365 -3.994 6.155
21 HB3 LEU 3 HB1 LEU 3 -2.835 -2.820 4.927
22 HG LEU 3 HG LEU 3 -2.977 -5.831 4.601
23 HD11 LEU 3 HD11 LEU 3 -5.181 -3.787 5.014
24 HD12 LEU 3 HD12 LEU 3 -4.627 -4.947 6.222
25 HD13 LEU 3 HD13 LEU 3 -5.411 -5.515 4.748
26 HD21 LEU 3 HD21 LEU 3 -2.746 -5.007 2.419
27 HD22 LEU 3 HD22 LEU 3 -3.571 -3.492 2.789
28 HD23 LEU 3 HD23 LEU 3 -4.496 -4.983 2.618
29 H LEU 4 HN LEU 4 1.236 -4.421 5.396
30 HA LEU 4 HA LEU 4 1.614 -2.199 7.083
31 HB2 LEU 4 HB2 LEU 4 2.863 -4.317 7.312
32 HB3 LEU 4 HB1 LEU 4 3.700 -3.983 5.798
33 HG LEU 4 HG LEU 4 4.621 -1.891 6.801
34 HD11 LEU 4 HD11 LEU 4 4.453 -1.930 9.434
35 HD12 LEU 4 HD12 LEU 4 2.973 -2.839 9.138
36 HD13 LEU 4 HD13 LEU 4 3.153 -1.209 8.490
37 HD21 LEU 4 HD21 LEU 4 5.157 -4.363 8.477
38 HD22 LEU 4 HD22 LEU 4 6.255 -3.006 8.218
39 HD23 LEU 4 HD23 LEU 4 5.842 -4.076 6.876
40 H SER 5 HN SER 5 2.532 -2.798 3.716
41 HA SER 5 HA SER 5 4.242 -0.641 3.302
42 HB2 SER 5 HB2 SER 5 2.228 -1.838 1.387
43 HB3 SER 5 HB1 SER 5 3.555 -0.778 0.926
44 HG SER 5 HG SER 5 4.793 -2.462 0.979
45 H TYR 6 HN TYR 6 0.686 -0.748 3.064
46 HA TYR 6 HA TYR 6 0.370 1.965 2.286
47 HB2 TYR 6 HB2 TYR 6 -1.493 -0.003 3.627
48 HB3 TYR 6 HB1 TYR 6 -1.985 1.632 3.183
49 HD1 TYR 6 HD1 TYR 6 -1.979 2.349 0.809
50 HD2 TYR 6 HD2 TYR 6 -1.157 -1.709 1.950
51 HE1 TYR 6 HE1 TYR 6 -2.356 1.616 -1.531
52 HE2 TYR 6 HE2 TYR 6 -1.538 -2.444 -0.388
53 HH TYR 6 HH TYR 6 -1.479 -0.504 -2.956
54 H GLY 7 HN GLY 7 0.396 0.326 5.419
55 HA2 GLY 7 HA2 GLY 7 -0.145 2.684 6.961
56 HA3 GLY 7 HA1 GLY 7 0.421 1.134 7.577
57 H ALA 8 HN ALA 8 2.426 1.972 5.107
58 HA ALA 8 HA ALA 8 4.635 2.487 6.834
59 HB1 ALA 8 HB1 ALA 8 4.712 1.338 4.574
60 HB2 ALA 8 HB2 ALA 8 5.956 2.557 4.852
61 HB3 ALA 8 HB3 ALA 8 4.556 2.939 3.850
62 H GLY 9 HN GLY 9 2.186 4.510 5.738
63 HA2 GLY 9 HA2 GLY 9 3.793 6.893 6.415
64 HA3 GLY 9 HA1 GLY 9 2.929 6.868 4.882
65 H VAL 10 HN VAL 10 0.624 5.421 5.858
66 HA VAL 10 HA VAL 10 -0.957 7.585 6.742
67 HB VAL 10 HB VAL 10 -1.486 4.609 6.898
68 HG11 VAL 10 HG11 VAL 10 -3.064 5.585 8.354
69 HG12 VAL 10 HG12 VAL 10 -3.921 5.519 6.815
70 HG13 VAL 10 HG13 VAL 10 -3.216 7.037 7.367
71 HG21 VAL 10 HG21 VAL 10 -2.477 6.628 4.869
72 HG22 VAL 10 HG22 VAL 10 -2.572 4.870 4.780
73 HG23 VAL 10 HG23 VAL 10 -1.012 5.675 4.625
74 H ALA 11 HN ALA 11 0.327 4.761 8.479
75 HA ALA 11 HA ALA 11 0.289 4.274 10.765
76 HB1 ALA 11 HB1 ALA 11 1.651 6.974 10.714
77 HB2 ALA 11 HB2 ALA 11 2.420 5.443 10.296
78 HB3 ALA 11 HB3 ALA 11 1.849 5.723 11.941
79 H SER 12 HN SER 12 -2.098 5.793 9.850
80 HA SER 12 HA SER 12 -2.831 7.066 12.437
81 HB2 SER 12 HB2 SER 12 -2.602 8.631 10.438
82 HB3 SER 12 HB1 SER 12 -3.988 7.796 9.744
83 HG SER 12 HG SER 12 -4.209 8.606 12.390
84 H LEU 13 HN LEU 13 -3.110 4.296 11.818
85 HA LEU 13 HA LEU 13 -5.760 3.877 12.584
86 HB2 LEU 13 HB2 LEU 13 -5.444 4.288 9.753
87 HB3 LEU 13 HB1 LEU 13 -5.867 2.597 9.997
88 HG LEU 13 HG LEU 13 -7.416 4.855 11.299
89 HD11 LEU 13 HD11 LEU 13 -9.071 4.479 9.453
90 HD12 LEU 13 HD12 LEU 13 -7.874 3.467 8.643
91 HD13 LEU 13 HD13 LEU 13 -7.553 5.183 8.893
92 HD21 LEU 13 HD21 LEU 13 -8.207 2.007 10.616
93 HD22 LEU 13 HD22 LEU 13 -9.104 3.152 11.614
94 HD23 LEU 13 HD23 LEU 13 -7.576 2.484 12.189
95 HA PRO 14 HA PRO 14 -3.587 -0.349 11.359
96 HB2 PRO 14 HB2 PRO 14 -0.786 0.691 11.150
97 HB3 PRO 14 HB1 PRO 14 -1.590 -0.582 10.210
98 HG2 PRO 14 HG2 PRO 14 -1.129 1.819 9.161
99 HG3 PRO 14 HG1 PRO 14 -2.621 0.931 8.798
100 HD2 PRO 14 HD2 PRO 14 -2.217 3.268 10.637
101 HD3 PRO 14 HD1 PRO 14 -3.592 2.886 9.585
102 H LEU 15 HN LEU 15 -1.479 2.031 13.002
103 HA LEU 15 HA LEU 15 -0.636 0.282 15.060
104 HB2 LEU 15 HB2 LEU 15 -0.747 3.297 14.898
105 HB3 LEU 15 HB1 LEU 15 -0.026 2.430 16.249
106 HG LEU 15 HG LEU 15 0.807 1.988 13.368
107 HD11 LEU 15 HD11 LEU 15 2.790 3.407 13.965
108 HD12 LEU 15 HD12 LEU 15 1.968 3.850 15.461
109 HD13 LEU 15 HD13 LEU 15 1.274 4.305 13.904
110 HD21 LEU 15 HD21 LEU 15 1.819 1.079 16.065
111 HD22 LEU 15 HD22 LEU 15 2.957 1.263 14.734
112 HD23 LEU 15 HD23 LEU 15 1.606 0.148 14.584
113 H LEU 16 HN LEU 16 -3.253 2.655 14.871
114 HA LEU 16 HA LEU 16 -4.134 2.374 17.544
115 HB2 LEU 16 HB2 LEU 16 -5.413 3.386 15.013
116 HB3 LEU 16 HB1 LEU 16 -6.367 3.230 16.485
117 HG LEU 16 HG LEU 16 -5.323 5.514 16.102
118 HD11 LEU 16 HD11 LEU 16 -4.177 4.380 18.644
119 HD12 LEU 16 HD12 LEU 16 -5.925 4.393 18.418
120 HD13 LEU 16 HD13 LEU 16 -5.019 5.902 18.374
121 HD21 LEU 16 HD21 LEU 16 -3.152 4.455 15.242
122 HD22 LEU 16 HD22 LEU 16 -2.747 4.170 16.934
123 HD23 LEU 16 HD23 LEU 16 -2.976 5.817 16.348
124 H ASN 17 HN ASN 17 -4.966 0.706 14.550
125 HA ASN 17 HA ASN 17 -7.140 -0.795 15.526
126 HB2 ASN 17 HB2 ASN 17 -5.163 -1.297 13.296
127 HB3 ASN 17 HB1 ASN 17 -6.539 -2.353 13.617
128 HD21 ASN 17 HD21 ASN 17 -6.200 -0.756 11.182
129 HD22 ASN 17 HD22 ASN 17 -7.485 0.351 11.138
130 H VAL 18 HN VAL 18 -3.656 -1.461 15.462
131 HA VAL 18 HA VAL 18 -3.805 -4.116 16.447
132 HB VAL 18 HB VAL 18 -1.604 -2.041 16.555
133 HG11 VAL 18 HG11 VAL 18 -1.643 -4.946 17.404
134 HG12 VAL 18 HG12 VAL 18 -1.124 -3.550 18.349
135 HG13 VAL 18 HG13 VAL 18 -0.151 -4.104 16.987
136 HG21 VAL 18 HG21 VAL 18 -2.398 -2.979 14.327
137 HG22 VAL 18 HG22 VAL 18 -1.847 -4.557 14.886
138 HG23 VAL 18 HG23 VAL 18 -0.691 -3.240 14.685
139 H ILE 19 HN ILE 19 -3.327 -0.983 18.045
140 HA ILE 19 HA ILE 19 -3.103 -1.996 20.681
141 HB ILE 19 HB ILE 19 -3.939 0.716 19.625
142 HG12 ILE 19 HG12 ILE 19 -1.371 -0.204 20.946
143 HG13 ILE 19 HG11 ILE 19 -1.601 -0.154 19.199
144 HG21 ILE 19 HG21 ILE 19 -3.314 1.417 22.024
145 HG22 ILE 19 HG22 ILE 19 -3.488 -0.287 22.443
146 HG23 ILE 19 HG23 ILE 19 -4.868 0.611 21.812
147 HD11 ILE 19 HD11 ILE 19 -2.192 2.286 19.422
148 HD12 ILE 19 HD12 ILE 19 -0.523 1.908 19.854
149 HD13 ILE 19 HD13 ILE 19 -1.723 2.187 21.119
150 H ALA 20 HN ALA 20 -5.844 -0.797 18.784
151 HA ALA 20 HA ALA 20 -7.738 -1.201 20.923
152 HB1 ALA 20 HB1 ALA 20 -8.092 -0.632 17.972
153 HB2 ALA 20 HB2 ALA 20 -8.210 0.520 19.302
154 HB3 ALA 20 HB3 ALA 20 -9.426 -0.744 19.121
155 HN1 NH2 21 H2 NH2 21 -7.312 -4.647 18.967
156 HN2 NH2 21 H1 NH2 21 -6.155 -3.404 18.936
Start of MODEL 22
1 H1 ACE 0 HA2 ACE 0 6.556 -1.531 -4.136
2 H2 ACE 0 HA3 ACE 0 8.247 -1.950 -4.408
3 H3 ACE 0 HA1 ACE 0 7.615 -1.861 -2.765
4 H LEU 1 HN LEU 1 7.424 -3.826 -1.906
5 HA LEU 1 HA LEU 1 7.373 -6.241 -3.370
6 HB2 LEU 1 HB2 LEU 1 6.631 -5.602 -0.510
7 HB3 LEU 1 HB1 LEU 1 6.692 -7.242 -1.146
8 HG LEU 1 HG LEU 1 9.041 -5.334 -1.327
9 HD11 LEU 1 HD11 LEU 1 8.251 -7.262 0.866
10 HD12 LEU 1 HD12 LEU 1 8.657 -5.551 1.016
11 HD13 LEU 1 HD13 LEU 1 9.917 -6.728 0.640
12 HD21 LEU 1 HD21 LEU 1 8.627 -8.299 -1.760
13 HD22 LEU 1 HD22 LEU 1 10.221 -7.670 -1.353
14 HD23 LEU 1 HD23 LEU 1 9.413 -7.130 -2.820
15 H GLY 2 HN GLY 2 4.813 -4.326 -1.848
16 HA2 GLY 2 HA2 GLY 2 2.810 -4.922 -3.669
17 HA3 GLY 2 HA1 GLY 2 2.698 -6.152 -2.412
18 H LEU 3 HN LEU 3 3.068 -2.613 -2.706
19 HA LEU 3 HA LEU 3 2.297 -0.904 -1.347
20 HB2 LEU 3 HB2 LEU 3 -0.190 -2.629 -1.435
21 HB3 LEU 3 HB1 LEU 3 -0.128 -0.901 -1.091
22 HG LEU 3 HG LEU 3 0.776 -2.190 -3.685
23 HD11 LEU 3 HD11 LEU 3 -1.615 -2.335 -3.570
24 HD12 LEU 3 HD12 LEU 3 -1.258 -0.929 -4.573
25 HD13 LEU 3 HD13 LEU 3 -1.746 -0.711 -2.893
26 HD21 LEU 3 HD21 LEU 3 2.022 -0.208 -3.536
27 HD22 LEU 3 HD22 LEU 3 0.770 0.636 -2.624
28 HD23 LEU 3 HD23 LEU 3 0.569 0.360 -4.354
29 H LEU 4 HN LEU 4 3.350 -3.476 -0.033
30 HA LEU 4 HA LEU 4 1.973 -3.880 2.404
31 HB2 LEU 4 HB2 LEU 4 3.943 -5.201 1.237
32 HB3 LEU 4 HB1 LEU 4 4.965 -4.136 2.188
33 HG LEU 4 HG LEU 4 4.634 -6.162 3.446
34 HD11 LEU 4 HD11 LEU 4 4.421 -3.856 4.601
35 HD12 LEU 4 HD12 LEU 4 3.914 -5.286 5.495
36 HD13 LEU 4 HD13 LEU 4 2.706 -4.248 4.743
37 HD21 LEU 4 HD21 LEU 4 2.628 -7.273 3.753
38 HD22 LEU 4 HD22 LEU 4 2.327 -6.568 2.169
39 HD23 LEU 4 HD23 LEU 4 1.653 -5.814 3.613
40 H SER 5 HN SER 5 4.643 -1.740 1.487
41 HA SER 5 HA SER 5 4.836 -0.546 4.111
42 HB2 SER 5 HB2 SER 5 6.755 -0.813 2.472
43 HB3 SER 5 HB1 SER 5 6.025 0.486 1.534
44 HG SER 5 HG SER 5 6.197 1.055 4.196
45 H TYR 6 HN TYR 6 2.612 -0.246 1.687
46 HA TYR 6 HA TYR 6 2.255 2.520 1.377
47 HB2 TYR 6 HB2 TYR 6 1.108 0.743 0.034
48 HB3 TYR 6 HB1 TYR 6 0.082 0.416 1.430
49 HD1 TYR 6 HD1 TYR 6 -1.582 2.040 2.196
50 HD2 TYR 6 HD2 TYR 6 0.892 2.811 -1.231
51 HE1 TYR 6 HE1 TYR 6 -3.075 3.909 1.538
52 HE2 TYR 6 HE2 TYR 6 -0.596 4.680 -1.888
53 HH TYR 6 HH TYR 6 -2.258 6.055 -1.141
54 H GLY 7 HN GLY 7 0.828 0.263 3.732
55 HA2 GLY 7 HA2 GLY 7 0.870 1.613 6.024
56 HA3 GLY 7 HA1 GLY 7 -0.430 2.464 5.194
57 H ALA 8 HN ALA 8 0.386 -0.991 5.091
58 HA ALA 8 HA ALA 8 -2.296 -1.840 5.333
59 HB1 ALA 8 HB1 ALA 8 -1.364 -4.076 5.614
60 HB2 ALA 8 HB2 ALA 8 0.227 -3.394 5.953
61 HB3 ALA 8 HB3 ALA 8 -0.486 -3.215 4.350
62 H GLY 9 HN GLY 9 0.290 -1.421 7.708
63 HA2 GLY 9 HA2 GLY 9 -1.342 -0.840 9.869
64 HA3 GLY 9 HA1 GLY 9 -1.106 -2.585 9.903
65 H VAL 10 HN VAL 10 1.066 0.094 9.024
66 HA VAL 10 HA VAL 10 3.349 -1.057 10.213
67 HB VAL 10 HB VAL 10 2.721 1.803 9.452
68 HG11 VAL 10 HG11 VAL 10 5.288 0.505 10.395
69 HG12 VAL 10 HG12 VAL 10 4.491 1.931 11.060
70 HG13 VAL 10 HG13 VAL 10 5.264 2.009 9.476
71 HG21 VAL 10 HG21 VAL 10 4.175 1.251 7.515
72 HG22 VAL 10 HG22 VAL 10 2.752 0.213 7.580
73 HG23 VAL 10 HG23 VAL 10 4.317 -0.403 8.112
74 H ALA 11 HN ALA 11 1.107 1.449 11.372
75 HA ALA 11 HA ALA 11 1.469 0.718 14.106
76 HB1 ALA 11 HB1 ALA 11 3.630 1.914 13.627
77 HB2 ALA 11 HB2 ALA 11 2.673 2.626 14.924
78 HB3 ALA 11 HB3 ALA 11 2.686 3.372 13.327
79 H SER 12 HN SER 12 0.285 2.930 11.679
80 HA SER 12 HA SER 12 -1.321 4.576 13.314
81 HB2 SER 12 HB2 SER 12 -2.521 5.106 11.227
82 HB3 SER 12 HB1 SER 12 -0.774 5.157 11.001
83 HG SER 12 HG SER 12 -1.014 3.657 9.564
84 H LEU 13 HN LEU 13 -1.627 1.285 12.501
85 HA LEU 13 HA LEU 13 -4.531 1.232 12.767
86 HB2 LEU 13 HB2 LEU 13 -2.406 -0.672 11.938
87 HB3 LEU 13 HB1 LEU 13 -3.820 -1.394 12.700
88 HG LEU 13 HG LEU 13 -3.981 -1.244 10.208
89 HD11 LEU 13 HD11 LEU 13 -6.245 -0.836 10.236
90 HD12 LEU 13 HD12 LEU 13 -6.095 0.640 11.185
91 HD13 LEU 13 HD13 LEU 13 -5.982 -0.933 11.975
92 HD21 LEU 13 HD21 LEU 13 -3.987 0.799 9.055
93 HD22 LEU 13 HD22 LEU 13 -2.729 1.059 10.261
94 HD23 LEU 13 HD23 LEU 13 -4.340 1.735 10.505
95 HA PRO 14 HA PRO 14 -3.478 -1.377 16.699
96 HB2 PRO 14 HB2 PRO 14 -0.860 -1.151 17.613
97 HB3 PRO 14 HB1 PRO 14 -1.469 -2.487 16.616
98 HG2 PRO 14 HG2 PRO 14 0.009 -0.028 15.778
99 HG3 PRO 14 HG1 PRO 14 0.233 -1.710 15.254
100 HD2 PRO 14 HD2 PRO 14 -1.085 0.020 13.702
101 HD3 PRO 14 HD1 PRO 14 -1.648 -1.663 13.857
102 H LEU 15 HN LEU 15 -1.552 1.614 16.340
103 HA LEU 15 HA LEU 15 -1.774 2.460 19.018
104 HB2 LEU 15 HB2 LEU 15 -1.428 4.044 16.464
105 HB3 LEU 15 HB1 LEU 15 -1.303 4.746 18.077
106 HG LEU 15 HG LEU 15 0.368 2.413 17.094
107 HD11 LEU 15 HD11 LEU 15 2.214 4.164 17.093
108 HD12 LEU 15 HD12 LEU 15 0.944 5.382 17.212
109 HD13 LEU 15 HD13 LEU 15 1.020 4.320 15.805
110 HD21 LEU 15 HD21 LEU 15 0.493 2.231 19.404
111 HD22 LEU 15 HD22 LEU 15 0.185 3.946 19.676
112 HD23 LEU 15 HD23 LEU 15 1.778 3.407 19.150
113 H LEU 16 HN LEU 16 -3.802 3.126 16.193
114 HA LEU 16 HA LEU 16 -5.613 4.840 17.567
115 HB2 LEU 16 HB2 LEU 16 -5.604 3.405 14.938
116 HB3 LEU 16 HB1 LEU 16 -7.139 4.035 15.534
117 HG LEU 16 HG LEU 16 -6.222 6.276 15.695
118 HD11 LEU 16 HD11 LEU 16 -3.624 4.888 15.033
119 HD12 LEU 16 HD12 LEU 16 -3.973 5.979 16.370
120 HD13 LEU 16 HD13 LEU 16 -3.842 6.611 14.730
121 HD21 LEU 16 HD21 LEU 16 -5.628 4.858 13.086
122 HD22 LEU 16 HD22 LEU 16 -5.581 6.612 13.258
123 HD23 LEU 16 HD23 LEU 16 -7.090 5.739 13.523
124 H ASN 17 HN ASN 17 -5.533 1.366 16.954
125 HA ASN 17 HA ASN 17 -8.120 0.751 17.879
126 HB2 ASN 17 HB2 ASN 17 -5.571 -0.878 17.834
127 HB3 ASN 17 HB1 ASN 17 -7.146 -1.540 18.273
128 HD21 ASN 17 HD21 ASN 17 -5.373 -2.066 15.834
129 HD22 ASN 17 HD22 ASN 17 -6.390 -1.777 14.508
130 H VAL 18 HN VAL 18 -5.012 1.025 19.572
131 HA VAL 18 HA VAL 18 -5.935 0.137 22.101
132 HB VAL 18 HB VAL 18 -3.639 1.944 21.312
133 HG11 VAL 18 HG11 VAL 18 -4.104 2.530 23.574
134 HG12 VAL 18 HG12 VAL 18 -2.821 1.323 23.671
135 HG13 VAL 18 HG13 VAL 18 -4.491 0.865 24.006
136 HG21 VAL 18 HG21 VAL 18 -3.694 -0.525 20.638
137 HG22 VAL 18 HG22 VAL 18 -3.617 -0.896 22.360
138 HG23 VAL 18 HG23 VAL 18 -2.295 -0.020 21.586
139 H ILE 19 HN ILE 19 -5.625 3.378 20.671
140 HA ILE 19 HA ILE 19 -6.589 4.814 22.915
141 HB ILE 19 HB ILE 19 -6.600 5.480 19.959
142 HG12 ILE 19 HG12 ILE 19 -4.843 6.527 22.195
143 HG13 ILE 19 HG11 ILE 19 -4.395 5.155 21.181
144 HG21 ILE 19 HG21 ILE 19 -7.309 7.132 22.396
145 HG22 ILE 19 HG22 ILE 19 -8.292 6.850 20.958
146 HG23 ILE 19 HG23 ILE 19 -6.847 7.856 20.857
147 HD11 ILE 19 HD11 ILE 19 -3.494 7.392 20.396
148 HD12 ILE 19 HD12 ILE 19 -5.158 7.860 20.057
149 HD13 ILE 19 HD13 ILE 19 -4.430 6.506 19.193
150 H ALA 20 HN ALA 20 -8.160 3.487 20.036
151 HA ALA 20 HA ALA 20 -10.801 4.347 20.885
152 HB1 ALA 20 HB1 ALA 20 -11.578 3.310 18.853
153 HB2 ALA 20 HB2 ALA 20 -10.052 2.451 18.649
154 HB3 ALA 20 HB3 ALA 20 -10.105 4.206 18.479
155 HN1 NH2 21 H2 NH2 21 -10.000 0.668 22.252
156 HN2 NH2 21 H1 NH2 21 -8.792 1.732 21.712
Start of MODEL 23
1 H1 ACE 0 HA2 ACE 0 3.740 -3.825 -5.614
2 H2 ACE 0 HA3 ACE 0 4.847 -2.776 -6.500
3 H3 ACE 0 HA1 ACE 0 4.405 -2.389 -4.836
4 H LEU 1 HN LEU 1 6.442 -2.471 -3.930
5 HA LEU 1 HA LEU 1 8.391 -4.445 -4.451
6 HB2 LEU 1 HB2 LEU 1 7.952 -2.627 -2.077
7 HB3 LEU 1 HB1 LEU 1 9.361 -3.671 -2.242
8 HG LEU 1 HG LEU 1 8.540 -1.643 -4.343
9 HD11 LEU 1 HD11 LEU 1 10.326 -0.206 -3.400
10 HD12 LEU 1 HD12 LEU 1 10.549 -1.362 -2.088
11 HD13 LEU 1 HD13 LEU 1 9.028 -0.484 -2.238
12 HD21 LEU 1 HD21 LEU 1 11.135 -1.922 -4.770
13 HD22 LEU 1 HD22 LEU 1 10.021 -3.130 -5.394
14 HD23 LEU 1 HD23 LEU 1 10.922 -3.449 -3.914
15 H GLY 2 HN GLY 2 5.864 -4.208 -1.980
16 HA2 GLY 2 HA2 GLY 2 5.407 -6.944 -1.756
17 HA3 GLY 2 HA1 GLY 2 6.601 -6.531 -0.530
18 H LEU 3 HN LEU 3 3.368 -5.742 -1.727
19 HA LEU 3 HA LEU 3 1.570 -4.710 -0.703
20 HB2 LEU 3 HB2 LEU 3 2.578 -6.389 1.606
21 HB3 LEU 3 HB1 LEU 3 0.940 -5.764 1.411
22 HG LEU 3 HG LEU 3 2.313 -7.680 -0.499
23 HD11 LEU 3 HD11 LEU 3 0.008 -8.246 1.378
24 HD12 LEU 3 HD12 LEU 3 1.688 -8.562 1.809
25 HD13 LEU 3 HD13 LEU 3 0.955 -9.405 0.446
26 HD21 LEU 3 HD21 LEU 3 -0.375 -6.310 -0.464
27 HD22 LEU 3 HD22 LEU 3 -0.220 -7.905 -1.205
28 HD23 LEU 3 HD23 LEU 3 0.731 -6.555 -1.817
29 H LEU 4 HN LEU 4 4.155 -3.318 -0.513
30 HA LEU 4 HA LEU 4 4.510 -2.174 2.041
31 HB2 LEU 4 HB2 LEU 4 6.241 -2.036 0.328
32 HB3 LEU 4 HB1 LEU 4 5.180 -1.080 -0.704
33 HG LEU 4 HG LEU 4 5.168 0.742 0.933
34 HD11 LEU 4 HD11 LEU 4 6.686 -1.264 2.600
35 HD12 LEU 4 HD12 LEU 4 5.312 -0.256 3.058
36 HD13 LEU 4 HD13 LEU 4 6.907 0.465 2.871
37 HD21 LEU 4 HD21 LEU 4 7.386 1.505 0.580
38 HD22 LEU 4 HD22 LEU 4 7.087 0.397 -0.758
39 HD23 LEU 4 HD23 LEU 4 8.045 -0.130 0.626
40 H SER 5 HN SER 5 2.521 -1.233 -0.730
41 HA SER 5 HA SER 5 1.711 1.294 0.169
42 HB2 SER 5 HB2 SER 5 1.282 0.486 -2.106
43 HB3 SER 5 HB1 SER 5 0.153 -0.712 -1.476
44 HG SER 5 HG SER 5 -0.046 2.109 -1.472
45 H TYR 6 HN TYR 6 0.261 -1.908 0.736
46 HA TYR 6 HA TYR 6 -1.975 -0.994 2.205
47 HB2 TYR 6 HB2 TYR 6 -0.507 -3.634 2.193
48 HB3 TYR 6 HB1 TYR 6 -1.983 -3.357 3.118
49 HD1 TYR 6 HD1 TYR 6 -4.105 -2.759 1.945
50 HD2 TYR 6 HD2 TYR 6 -0.558 -3.889 -0.194
51 HE1 TYR 6 HE1 TYR 6 -5.462 -3.154 -0.092
52 HE2 TYR 6 HE2 TYR 6 -1.913 -4.282 -2.234
53 HH TYR 6 HH TYR 6 -5.434 -4.128 -2.156
54 H GLY 7 HN GLY 7 1.270 -2.006 3.223
55 HA2 GLY 7 HA2 GLY 7 0.664 -1.415 6.030
56 HA3 GLY 7 HA1 GLY 7 2.153 -2.117 5.403
57 H ALA 8 HN ALA 8 0.915 0.659 3.778
58 HA ALA 8 HA ALA 8 3.268 2.181 4.302
59 HB1 ALA 8 HB1 ALA 8 0.644 3.217 3.219
60 HB2 ALA 8 HB2 ALA 8 1.826 2.353 2.238
61 HB3 ALA 8 HB3 ALA 8 2.252 3.896 2.972
62 H GLY 9 HN GLY 9 0.534 1.594 6.149
63 HA2 GLY 9 HA2 GLY 9 1.233 3.733 8.014
64 HA3 GLY 9 HA1 GLY 9 -0.410 3.758 7.375
65 H VAL 10 HN VAL 10 1.848 1.291 8.615
66 HA VAL 10 HA VAL 10 -0.162 -0.403 9.649
67 HB VAL 10 HB VAL 10 2.767 -0.118 10.336
68 HG11 VAL 10 HG11 VAL 10 1.745 -1.181 12.230
69 HG12 VAL 10 HG12 VAL 10 2.439 -2.474 11.253
70 HG13 VAL 10 HG13 VAL 10 0.705 -2.161 11.195
71 HG21 VAL 10 HG21 VAL 10 3.068 -1.991 8.859
72 HG22 VAL 10 HG22 VAL 10 2.064 -0.823 7.997
73 HG23 VAL 10 HG23 VAL 10 1.328 -2.247 8.735
74 H ALA 11 HN ALA 11 1.364 2.462 10.866
75 HA ALA 11 HA ALA 11 0.834 2.125 13.631
76 HB1 ALA 11 HB1 ALA 11 2.388 3.832 12.693
77 HB2 ALA 11 HB2 ALA 11 1.202 4.522 13.801
78 HB3 ALA 11 HB3 ALA 11 0.993 4.706 12.059
79 H SER 12 HN SER 12 -1.294 2.089 11.192
80 HA SER 12 HA SER 12 -3.363 3.783 12.359
81 HB2 SER 12 HB2 SER 12 -3.350 2.021 9.900
82 HB3 SER 12 HB1 SER 12 -4.686 3.061 10.390
83 HG SER 12 HG SER 12 -3.382 4.836 10.100
84 H LEU 13 HN LEU 13 -2.344 1.321 13.748
85 HA LEU 13 HA LEU 13 -4.982 0.168 14.283
86 HB2 LEU 13 HB2 LEU 13 -3.181 -1.200 12.633
87 HB3 LEU 13 HB1 LEU 13 -2.958 -1.967 14.199
88 HG LEU 13 HG LEU 13 -5.558 -2.085 14.282
89 HD11 LEU 13 HD11 LEU 13 -5.063 -1.625 11.323
90 HD12 LEU 13 HD12 LEU 13 -6.066 -0.646 12.392
91 HD13 LEU 13 HD13 LEU 13 -6.557 -2.285 11.983
92 HD21 LEU 13 HD21 LEU 13 -4.007 -3.754 12.275
93 HD22 LEU 13 HD22 LEU 13 -5.527 -4.215 13.040
94 HD23 LEU 13 HD23 LEU 13 -4.067 -4.041 14.015
95 HA PRO 14 HA PRO 14 -1.927 -1.008 17.883
96 HB2 PRO 14 HB2 PRO 14 0.213 1.035 17.447
97 HB3 PRO 14 HB1 PRO 14 0.358 -0.659 17.957
98 HG2 PRO 14 HG2 PRO 14 1.042 0.069 15.503
99 HG3 PRO 14 HG1 PRO 14 0.184 -1.460 15.785
100 HD2 PRO 14 HD2 PRO 14 -0.917 1.158 14.794
101 HD3 PRO 14 HD1 PRO 14 -1.245 -0.486 14.203
102 H LEU 15 HN LEU 15 -1.608 2.439 16.960
103 HA LEU 15 HA LEU 15 -2.071 3.458 19.559
104 HB2 LEU 15 HB2 LEU 15 -2.400 4.717 16.831
105 HB3 LEU 15 HB1 LEU 15 -2.544 5.608 18.343
106 HG LEU 15 HG LEU 15 -0.098 3.997 17.562
107 HD11 LEU 15 HD11 LEU 15 0.936 6.197 17.057
108 HD12 LEU 15 HD12 LEU 15 -0.620 6.978 17.337
109 HD13 LEU 15 HD13 LEU 15 -0.428 5.854 15.992
110 HD21 LEU 15 HD21 LEU 15 0.067 4.249 19.876
111 HD22 LEU 15 HD22 LEU 15 -0.831 5.766 19.890
112 HD23 LEU 15 HD23 LEU 15 0.845 5.738 19.347
113 H LEU 16 HN LEU 16 -4.220 2.878 16.810
114 HA LEU 16 HA LEU 16 -6.549 4.008 17.943
115 HB2 LEU 16 HB2 LEU 16 -6.434 1.722 15.968
116 HB3 LEU 16 HB1 LEU 16 -7.749 2.872 16.197
117 HG LEU 16 HG LEU 16 -4.960 3.509 15.186
118 HD11 LEU 16 HD11 LEU 16 -7.582 3.908 13.741
119 HD12 LEU 16 HD12 LEU 16 -6.718 2.373 13.659
120 HD13 LEU 16 HD13 LEU 16 -5.953 3.848 13.068
121 HD21 LEU 16 HD21 LEU 16 -7.291 5.252 15.993
122 HD22 LEU 16 HD22 LEU 16 -6.151 5.799 14.763
123 HD23 LEU 16 HD23 LEU 16 -5.581 5.438 16.390
124 H ASN 17 HN ASN 17 -5.178 0.752 18.067
125 HA ASN 17 HA ASN 17 -7.361 -0.537 19.289
126 HB2 ASN 17 HB2 ASN 17 -5.484 -1.769 18.309
127 HB3 ASN 17 HB1 ASN 17 -4.401 -1.119 19.539
128 HD21 ASN 17 HD21 ASN 17 -4.474 -3.828 19.523
129 HD22 ASN 17 HD22 ASN 17 -5.426 -4.438 20.790
130 H VAL 18 HN VAL 18 -4.570 1.169 20.686
131 HA VAL 18 HA VAL 18 -5.165 0.594 23.395
132 HB VAL 18 HB VAL 18 -3.671 2.910 22.139
133 HG11 VAL 18 HG11 VAL 18 -4.006 2.043 25.018
134 HG12 VAL 18 HG12 VAL 18 -4.328 3.631 24.323
135 HG13 VAL 18 HG13 VAL 18 -2.667 3.060 24.482
136 HG21 VAL 18 HG21 VAL 18 -1.688 1.613 22.844
137 HG22 VAL 18 HG22 VAL 18 -2.692 0.682 21.734
138 HG23 VAL 18 HG23 VAL 18 -2.742 0.341 23.463
139 H ILE 19 HN ILE 19 -5.936 3.381 21.328
140 HA ILE 19 HA ILE 19 -7.399 4.833 23.276
141 HB ILE 19 HB ILE 19 -7.517 4.854 20.250
142 HG12 ILE 19 HG12 ILE 19 -5.343 5.527 21.167
143 HG13 ILE 19 HG11 ILE 19 -6.172 6.918 20.483
144 HG21 ILE 19 HG21 ILE 19 -9.590 5.775 20.991
145 HG22 ILE 19 HG22 ILE 19 -8.549 7.149 20.622
146 HG23 ILE 19 HG23 ILE 19 -8.808 6.664 22.297
147 HD11 ILE 19 HD11 ILE 19 -5.575 6.279 23.346
148 HD12 ILE 19 HD12 ILE 19 -7.039 7.196 22.999
149 HD13 ILE 19 HD13 ILE 19 -5.471 7.818 22.498
150 H ALA 20 HN ALA 20 -8.359 2.522 20.773
151 HA ALA 20 HA ALA 20 -11.160 2.696 21.298
152 HB1 ALA 20 HB1 ALA 20 -11.389 0.878 19.790
153 HB2 ALA 20 HB2 ALA 20 -9.738 0.330 20.081
154 HB3 ALA 20 HB3 ALA 20 -10.026 1.819 19.182
155 HN1 NH2 21 H2 NH2 21 -9.720 -0.516 23.430
156 HN2 NH2 21 H1 NH2 21 -8.852 0.025 22.077
Start of MODEL 24
1 H1 ACE 0 HA2 ACE 0 -0.001 -3.461 -2.706
2 H2 ACE 0 HA3 ACE 0 -0.714 -4.536 -3.908
3 H3 ACE 0 HA1 ACE 0 0.041 -3.024 -4.413
4 H LEU 1 HN LEU 1 1.976 -3.291 -5.307
5 HA LEU 1 HA LEU 1 3.529 -5.717 -4.802
6 HB2 LEU 1 HB2 LEU 1 3.914 -3.423 -6.737
7 HB3 LEU 1 HB1 LEU 1 4.968 -4.832 -6.641
8 HG LEU 1 HG LEU 1 1.979 -5.006 -7.121
9 HD11 LEU 1 HD11 LEU 1 4.301 -4.873 -9.059
10 HD12 LEU 1 HD12 LEU 1 2.869 -3.845 -9.013
11 HD13 LEU 1 HD13 LEU 1 2.727 -5.533 -9.506
12 HD21 LEU 1 HD21 LEU 1 2.861 -7.279 -8.129
13 HD22 LEU 1 HD22 LEU 1 2.661 -7.132 -6.388
14 HD23 LEU 1 HD23 LEU 1 4.264 -6.982 -7.106
15 H GLY 2 HN GLY 2 3.219 -2.815 -3.335
16 HA2 GLY 2 HA2 GLY 2 5.686 -3.052 -1.895
17 HA3 GLY 2 HA1 GLY 2 5.699 -1.677 -2.996
18 H LEU 3 HN LEU 3 2.826 -1.222 -2.726
19 HA LEU 3 HA LEU 3 2.834 0.662 -0.648
20 HB2 LEU 3 HB2 LEU 3 0.512 -0.651 -2.075
21 HB3 LEU 3 HB1 LEU 3 0.398 0.800 -1.079
22 HG LEU 3 HG LEU 3 2.146 0.529 -3.548
23 HD11 LEU 3 HD11 LEU 3 -0.540 1.868 -3.108
24 HD12 LEU 3 HD12 LEU 3 -0.193 0.523 -4.194
25 HD13 LEU 3 HD13 LEU 3 0.466 2.124 -4.533
26 HD21 LEU 3 HD21 LEU 3 3.182 2.213 -2.306
27 HD22 LEU 3 HD22 LEU 3 1.682 2.710 -1.522
28 HD23 LEU 3 HD23 LEU 3 1.996 3.164 -3.195
29 H LEU 4 HN LEU 4 1.683 -2.671 -0.764
30 HA LEU 4 HA LEU 4 0.273 -2.691 1.667
31 HB2 LEU 4 HB2 LEU 4 0.090 -4.469 0.003
32 HB3 LEU 4 HB1 LEU 4 1.757 -4.949 0.312
33 HG LEU 4 HG LEU 4 0.067 -4.782 2.763
34 HD11 LEU 4 HD11 LEU 4 -1.049 -6.961 2.317
35 HD12 LEU 4 HD12 LEU 4 -0.505 -6.867 0.640
36 HD13 LEU 4 HD13 LEU 4 -1.627 -5.661 1.274
37 HD21 LEU 4 HD21 LEU 4 1.636 -7.169 1.787
38 HD22 LEU 4 HD22 LEU 4 1.348 -6.631 3.441
39 HD23 LEU 4 HD23 LEU 4 2.469 -5.744 2.411
40 H SER 5 HN SER 5 3.720 -3.288 0.989
41 HA SER 5 HA SER 5 4.457 -4.193 3.541
42 HB2 SER 5 HB2 SER 5 6.736 -3.448 2.942
43 HB3 SER 5 HB1 SER 5 5.970 -4.341 1.631
44 HG SER 5 HG SER 5 5.910 -2.573 0.466
45 H TYR 6 HN TYR 6 4.357 -0.872 2.242
46 HA TYR 6 HA TYR 6 5.316 0.370 4.617
47 HB2 TYR 6 HB2 TYR 6 3.639 1.485 2.357
48 HB3 TYR 6 HB1 TYR 6 4.386 2.453 3.626
49 HD1 TYR 6 HD1 TYR 6 6.951 2.215 3.955
50 HD2 TYR 6 HD2 TYR 6 4.875 0.918 0.434
51 HE1 TYR 6 HE1 TYR 6 9.080 2.257 2.682
52 HE2 TYR 6 HE2 TYR 6 6.998 0.956 -0.840
53 HH TYR 6 HH TYR 6 9.946 0.971 0.504
54 H GLY 7 HN GLY 7 2.086 -0.377 3.393
55 HA2 GLY 7 HA2 GLY 7 0.786 0.823 5.713
56 HA3 GLY 7 HA1 GLY 7 -0.010 0.057 4.342
57 H ALA 8 HN ALA 8 2.611 -1.609 5.867
58 HA ALA 8 HA ALA 8 1.175 -3.950 6.371
59 HB1 ALA 8 HB1 ALA 8 3.602 -3.958 6.271
60 HB2 ALA 8 HB2 ALA 8 3.092 -4.558 7.849
61 HB3 ALA 8 HB3 ALA 8 3.693 -2.907 7.686
62 H GLY 9 HN GLY 9 1.854 -1.180 8.466
63 HA2 GLY 9 HA2 GLY 9 -0.360 -1.076 9.979
64 HA3 GLY 9 HA1 GLY 9 0.517 -2.394 10.750
65 H VAL 10 HN VAL 10 1.497 0.746 9.357
66 HA VAL 10 HA VAL 10 3.337 1.207 11.552
67 HB VAL 10 HB VAL 10 2.559 2.872 9.154
68 HG11 VAL 10 HG11 VAL 10 4.608 3.312 11.338
69 HG12 VAL 10 HG12 VAL 10 3.312 4.402 10.840
70 HG13 VAL 10 HG13 VAL 10 4.689 4.124 9.775
71 HG21 VAL 10 HG21 VAL 10 5.107 1.350 9.770
72 HG22 VAL 10 HG22 VAL 10 4.703 2.168 8.261
73 HG23 VAL 10 HG23 VAL 10 3.811 0.727 8.745
74 H ALA 11 HN ALA 11 0.964 3.426 10.117
75 HA ALA 11 HA ALA 11 0.361 4.489 12.803
76 HB1 ALA 11 HB1 ALA 11 -0.192 5.559 10.028
77 HB2 ALA 11 HB2 ALA 11 0.999 6.158 11.183
78 HB3 ALA 11 HB3 ALA 11 -0.722 6.339 11.520
79 H SER 12 HN SER 12 -0.874 2.376 10.488
80 HA SER 12 HA SER 12 -3.679 2.884 10.934
81 HB2 SER 12 HB2 SER 12 -2.889 1.965 8.805
82 HB3 SER 12 HB1 SER 12 -2.277 0.538 9.635
83 HG SER 12 HG SER 12 -4.928 1.379 9.198
84 H LEU 13 HN LEU 13 -1.321 1.472 12.838
85 HA LEU 13 HA LEU 13 -3.283 -0.342 14.132
86 HB2 LEU 13 HB2 LEU 13 -0.559 -0.776 13.301
87 HB3 LEU 13 HB1 LEU 13 -0.617 -0.902 15.056
88 HG LEU 13 HG LEU 13 -2.635 -2.465 14.726
89 HD11 LEU 13 HD11 LEU 13 -3.127 -1.903 12.392
90 HD12 LEU 13 HD12 LEU 13 -2.685 -3.607 12.514
91 HD13 LEU 13 HD13 LEU 13 -1.516 -2.436 11.904
92 HD21 LEU 13 HD21 LEU 13 -1.083 -4.384 14.050
93 HD22 LEU 13 HD22 LEU 13 -0.553 -3.406 15.419
94 HD23 LEU 13 HD23 LEU 13 0.170 -3.161 13.831
95 HA PRO 14 HA PRO 14 -0.924 1.880 17.786
96 HB2 PRO 14 HB2 PRO 14 -0.248 4.440 16.386
97 HB3 PRO 14 HB1 PRO 14 0.670 3.553 17.621
98 HG2 PRO 14 HG2 PRO 14 1.407 3.522 15.062
99 HG3 PRO 14 HG1 PRO 14 1.568 2.081 16.084
100 HD2 PRO 14 HD2 PRO 14 -0.468 2.662 13.960
101 HD3 PRO 14 HD1 PRO 14 0.284 1.122 14.405
102 H LEU 15 HN LEU 15 -2.482 4.024 15.377
103 HA LEU 15 HA LEU 15 -3.932 5.553 17.262
104 HB2 LEU 15 HB2 LEU 15 -4.397 5.006 14.329
105 HB3 LEU 15 HB1 LEU 15 -5.383 6.129 15.263
106 HG LEU 15 HG LEU 15 -2.363 6.314 15.012
107 HD11 LEU 15 HD11 LEU 15 -3.193 6.728 12.829
108 HD12 LEU 15 HD12 LEU 15 -2.995 8.330 13.541
109 HD13 LEU 15 HD13 LEU 15 -4.598 7.600 13.438
110 HD21 LEU 15 HD21 LEU 15 -2.870 7.551 16.926
111 HD22 LEU 15 HD22 LEU 15 -4.489 7.970 16.363
112 HD23 LEU 15 HD23 LEU 15 -3.079 8.789 15.693
113 H LEU 16 HN LEU 16 -4.823 2.685 15.363
114 HA LEU 16 HA LEU 16 -7.487 2.524 16.324
115 HB2 LEU 16 HB2 LEU 16 -5.603 0.586 15.004
116 HB3 LEU 16 HB1 LEU 16 -7.121 -0.006 15.678
117 HG LEU 16 HG LEU 16 -8.352 1.676 14.322
118 HD11 LEU 16 HD11 LEU 16 -5.543 2.325 13.410
119 HD12 LEU 16 HD12 LEU 16 -6.783 3.426 14.012
120 HD13 LEU 16 HD13 LEU 16 -6.948 2.704 12.412
121 HD21 LEU 16 HD21 LEU 16 -6.472 -0.031 12.663
122 HD22 LEU 16 HD22 LEU 16 -8.072 0.532 12.188
123 HD23 LEU 16 HD23 LEU 16 -7.902 -0.644 13.491
124 H ASN 17 HN ASN 17 -4.420 1.266 17.482
125 HA ASN 17 HA ASN 17 -5.367 -0.470 19.476
126 HB2 ASN 17 HB2 ASN 17 -2.834 1.159 19.246
127 HB3 ASN 17 HB1 ASN 17 -3.111 -0.002 20.543
128 HD21 ASN 17 HD21 ASN 17 -4.440 -2.057 19.075
129 HD22 ASN 17 HD22 ASN 17 -3.346 -2.706 17.950
130 H VAL 18 HN VAL 18 -4.684 3.013 19.539
131 HA VAL 18 HA VAL 18 -5.049 3.394 22.314
132 HB VAL 18 HB VAL 18 -5.359 5.275 19.963
133 HG11 VAL 18 HG11 VAL 18 -5.540 5.769 22.942
134 HG12 VAL 18 HG12 VAL 18 -6.676 6.263 21.686
135 HG13 VAL 18 HG13 VAL 18 -5.100 7.045 21.808
136 HG21 VAL 18 HG21 VAL 18 -3.155 5.988 20.508
137 HG22 VAL 18 HG22 VAL 18 -3.091 4.229 20.609
138 HG23 VAL 18 HG23 VAL 18 -3.201 5.193 22.082
139 H ILE 19 HN ILE 19 -7.298 3.745 19.574
140 HA ILE 19 HA ILE 19 -9.550 4.489 21.131
141 HB ILE 19 HB ILE 19 -9.511 3.069 18.460
142 HG12 ILE 19 HG12 ILE 19 -8.147 5.090 18.346
143 HG13 ILE 19 HG11 ILE 19 -9.669 5.368 17.510
144 HG21 ILE 19 HG21 ILE 19 -11.701 4.199 18.165
145 HG22 ILE 19 HG22 ILE 19 -11.592 4.805 19.816
146 HG23 ILE 19 HG23 ILE 19 -11.715 3.071 19.521
147 HD11 ILE 19 HD11 ILE 19 -8.720 6.476 20.136
148 HD12 ILE 19 HD12 ILE 19 -10.451 6.300 19.860
149 HD13 ILE 19 HD13 ILE 19 -9.487 7.308 18.785
150 H ALA 20 HN ALA 20 -8.384 1.373 19.902
151 HA ALA 20 HA ALA 20 -10.577 -0.101 21.058
152 HB1 ALA 20 HB1 ALA 20 -9.607 -1.087 19.131
153 HB2 ALA 20 HB2 ALA 20 -9.069 -2.089 20.480
154 HB3 ALA 20 HB3 ALA 20 -7.971 -0.906 19.766
155 HN1 NH2 21 H2 NH2 21 -7.458 0.084 23.658
156 HN2 NH2 21 H1 NH2 21 -7.394 0.894 22.169
Start of MODEL 25
1 H1 ACE 0 HA2 ACE 0 2.694 -6.377 -2.114
2 H2 ACE 0 HA3 ACE 0 4.283 -6.796 -1.472
3 H3 ACE 0 HA1 ACE 0 3.417 -7.938 -2.501
4 H LEU 1 HN LEU 1 2.953 -4.780 -3.528
5 HA LEU 1 HA LEU 1 4.700 -5.181 -5.840
6 HB2 LEU 1 HB2 LEU 1 2.612 -3.072 -5.233
7 HB3 LEU 1 HB1 LEU 1 3.502 -3.212 -6.748
8 HG LEU 1 HG LEU 1 2.569 -5.742 -6.626
9 HD11 LEU 1 HD11 LEU 1 0.514 -4.097 -5.113
10 HD12 LEU 1 HD12 LEU 1 1.418 -5.470 -4.481
11 HD13 LEU 1 HD13 LEU 1 0.234 -5.712 -5.762
12 HD21 LEU 1 HD21 LEU 1 2.135 -4.275 -8.504
13 HD22 LEU 1 HD22 LEU 1 1.032 -3.293 -7.542
14 HD23 LEU 1 HD23 LEU 1 0.589 -4.944 -7.978
15 H GLY 2 HN GLY 2 5.003 -3.822 -2.833
16 HA2 GLY 2 HA2 GLY 2 7.489 -2.738 -3.123
17 HA3 GLY 2 HA1 GLY 2 6.413 -1.404 -3.529
18 H LEU 3 HN LEU 3 5.694 -3.927 -1.180
19 HA LEU 3 HA LEU 3 5.200 -3.830 1.058
20 HB2 LEU 3 HB2 LEU 3 7.416 -1.770 0.977
21 HB3 LEU 3 HB1 LEU 3 6.760 -2.482 2.448
22 HG LEU 3 HG LEU 3 7.946 -4.109 0.181
23 HD11 LEU 3 HD11 LEU 3 9.658 -2.645 1.200
24 HD12 LEU 3 HD12 LEU 3 9.940 -4.337 1.614
25 HD13 LEU 3 HD13 LEU 3 9.221 -3.248 2.799
26 HD21 LEU 3 HD21 LEU 3 6.861 -4.739 2.925
27 HD22 LEU 3 HD22 LEU 3 8.155 -5.739 2.264
28 HD23 LEU 3 HD23 LEU 3 6.626 -5.603 1.406
29 H LEU 4 HN LEU 4 4.414 -1.413 -0.998
30 HA LEU 4 HA LEU 4 3.604 0.694 0.721
31 HB2 LEU 4 HB2 LEU 4 2.594 -0.219 -1.977
32 HB3 LEU 4 HB1 LEU 4 2.002 1.231 -1.171
33 HG LEU 4 HG LEU 4 4.930 0.715 -1.776
34 HD11 LEU 4 HD11 LEU 4 4.616 2.317 -3.653
35 HD12 LEU 4 HD12 LEU 4 2.879 2.310 -3.343
36 HD13 LEU 4 HD13 LEU 4 3.685 0.834 -3.876
37 HD21 LEU 4 HD21 LEU 4 4.809 3.359 -1.590
38 HD22 LEU 4 HD22 LEU 4 4.915 2.381 -0.133
39 HD23 LEU 4 HD23 LEU 4 3.356 3.028 -0.647
40 H SER 5 HN SER 5 1.931 -2.198 -0.483
41 HA SER 5 HA SER 5 -0.494 -1.589 0.960
42 HB2 SER 5 HB2 SER 5 -1.204 -3.839 0.222
43 HB3 SER 5 HB1 SER 5 -0.598 -2.872 -1.120
44 HG SER 5 HG SER 5 1.294 -4.008 -1.070
45 H TYR 6 HN TYR 6 2.470 -3.258 1.584
46 HA TYR 6 HA TYR 6 1.652 -5.008 3.633
47 HB2 TYR 6 HB2 TYR 6 3.853 -5.190 2.605
48 HB3 TYR 6 HB1 TYR 6 4.294 -3.593 3.208
49 HD1 TYR 6 HD2 TYR 6 3.149 -6.964 4.367
50 HD2 TYR 6 HD1 TYR 6 5.287 -3.363 5.326
51 HE1 TYR 6 HE2 TYR 6 3.898 -7.978 6.501
52 HE2 TYR 6 HE1 TYR 6 6.034 -4.376 7.466
53 HH TYR 6 HH TYR 6 5.142 -6.239 9.028
54 H GLY 7 HN GLY 7 2.859 -1.658 3.772
55 HA2 GLY 7 HA2 GLY 7 2.327 -1.520 6.649
56 HA3 GLY 7 HA1 GLY 7 3.092 -0.277 5.663
57 H ALA 8 HN ALA 8 1.542 0.589 3.877
58 HA ALA 8 HA ALA 8 -0.223 2.041 3.562
59 HB1 ALA 8 HB1 ALA 8 -2.460 0.883 3.816
60 HB2 ALA 8 HB2 ALA 8 -1.582 -0.509 4.451
61 HB3 ALA 8 HB3 ALA 8 -1.290 0.041 2.800
62 H GLY 9 HN GLY 9 1.022 1.979 6.296
63 HA2 GLY 9 HA2 GLY 9 0.358 3.787 7.854
64 HA3 GLY 9 HA1 GLY 9 -1.265 3.102 7.828
65 H VAL 10 HN VAL 10 2.064 2.528 8.818
66 HA VAL 10 HA VAL 10 1.646 0.086 10.184
67 HB VAL 10 HB VAL 10 3.705 2.262 10.570
68 HG11 VAL 10 HG11 VAL 10 3.730 1.042 12.607
69 HG12 VAL 10 HG12 VAL 10 4.988 0.281 11.635
70 HG13 VAL 10 HG13 VAL 10 3.407 -0.487 11.790
71 HG21 VAL 10 HG21 VAL 10 5.102 0.931 9.167
72 HG22 VAL 10 HG22 VAL 10 3.538 0.973 8.353
73 HG23 VAL 10 HG23 VAL 10 4.013 -0.453 9.274
74 H ALA 11 HN ALA 11 1.563 3.466 11.266
75 HA ALA 11 HA ALA 11 1.108 2.894 14.005
76 HB1 ALA 11 HB1 ALA 11 0.111 5.391 12.651
77 HB2 ALA 11 HB2 ALA 11 1.838 5.114 12.872
78 HB3 ALA 11 HB3 ALA 11 0.773 5.198 14.275
79 H SER 12 HN SER 12 -0.835 2.401 11.332
80 HA SER 12 HA SER 12 -3.402 3.094 12.320
81 HB2 SER 12 HB2 SER 12 -2.811 0.847 10.396
82 HB3 SER 12 HB1 SER 12 -4.270 1.828 10.505
83 HG SER 12 HG SER 12 -3.311 3.080 9.124
84 H LEU 13 HN LEU 13 -1.228 0.764 13.373
85 HA LEU 13 HA LEU 13 -3.287 -1.132 14.263
86 HB2 LEU 13 HB2 LEU 13 -0.355 -1.194 13.852
87 HB3 LEU 13 HB1 LEU 13 -0.899 -2.066 15.286
88 HG LEU 13 HG LEU 13 -2.525 -3.313 13.866
89 HD11 LEU 13 HD11 LEU 13 -1.172 -1.712 11.679
90 HD12 LEU 13 HD12 LEU 13 -2.897 -1.787 12.047
91 HD13 LEU 13 HD13 LEU 13 -2.077 -3.191 11.363
92 HD21 LEU 13 HD21 LEU 13 0.304 -3.469 12.787
93 HD22 LEU 13 HD22 LEU 13 -0.881 -4.774 12.866
94 HD23 LEU 13 HD23 LEU 13 -0.183 -4.127 14.350
95 HA PRO 14 HA PRO 14 -1.476 0.038 18.570
96 HB2 PRO 14 HB2 PRO 14 0.194 2.253 18.670
97 HB3 PRO 14 HB1 PRO 14 0.764 0.578 18.541
98 HG2 PRO 14 HG2 PRO 14 0.367 2.607 16.380
99 HG3 PRO 14 HG1 PRO 14 1.723 1.493 16.639
100 HD2 PRO 14 HD2 PRO 14 -0.154 0.943 14.807
101 HD3 PRO 14 HD1 PRO 14 0.536 -0.350 15.817
102 H LEU 15 HN LEU 15 -2.070 2.734 16.333
103 HA LEU 15 HA LEU 15 -3.090 4.550 18.234
104 HB2 LEU 15 HB2 LEU 15 -3.665 4.252 15.280
105 HB3 LEU 15 HB1 LEU 15 -4.252 5.592 16.260
106 HG LEU 15 HG LEU 15 -1.322 4.852 15.985
107 HD11 LEU 15 HD11 LEU 15 -1.150 6.706 14.407
108 HD12 LEU 15 HD12 LEU 15 -2.867 7.063 14.598
109 HD13 LEU 15 HD13 LEU 15 -2.359 5.559 13.831
110 HD21 LEU 15 HD21 LEU 15 -1.227 7.392 16.735
111 HD22 LEU 15 HD22 LEU 15 -1.460 6.135 17.941
112 HD23 LEU 15 HD23 LEU 15 -2.842 7.066 17.364
113 H LEU 16 HN LEU 16 -4.656 2.064 16.285
114 HA LEU 16 HA LEU 16 -7.307 2.665 17.099
115 HB2 LEU 16 HB2 LEU 16 -5.961 0.316 15.796
116 HB3 LEU 16 HB1 LEU 16 -7.619 0.147 16.372
117 HG LEU 16 HG LEU 16 -8.345 2.015 15.002
118 HD11 LEU 16 HD11 LEU 16 -5.384 2.344 14.526
119 HD12 LEU 16 HD12 LEU 16 -6.556 3.545 15.060
120 HD13 LEU 16 HD13 LEU 16 -6.563 2.994 13.386
121 HD21 LEU 16 HD21 LEU 16 -6.567 0.068 13.500
122 HD22 LEU 16 HD22 LEU 16 -7.763 1.111 12.730
123 HD23 LEU 16 HD23 LEU 16 -8.279 -0.135 13.868
124 H ASN 17 HN ASN 17 -4.827 0.490 18.372
125 HA ASN 17 HA ASN 17 -6.435 -0.810 20.289
126 HB2 ASN 17 HB2 ASN 17 -4.226 -1.647 19.646
127 HB3 ASN 17 HB1 ASN 17 -3.464 -0.215 20.334
128 HD21 ASN 17 HD21 ASN 17 -2.865 -2.885 21.254
129 HD22 ASN 17 HD22 ASN 17 -3.423 -3.024 22.852
130 H VAL 18 HN VAL 18 -4.526 2.180 20.421
131 HA VAL 18 HA VAL 18 -4.914 2.698 23.178
132 HB VAL 18 HB VAL 18 -4.319 4.517 20.835
133 HG11 VAL 18 HG11 VAL 18 -3.615 6.119 22.743
134 HG12 VAL 18 HG12 VAL 18 -4.645 5.129 23.778
135 HG13 VAL 18 HG13 VAL 18 -5.340 5.981 22.398
136 HG21 VAL 18 HG21 VAL 18 -2.570 2.892 21.486
137 HG22 VAL 18 HG22 VAL 18 -2.646 3.476 23.147
138 HG23 VAL 18 HG23 VAL 18 -2.071 4.540 21.861
139 H ILE 19 HN ILE 19 -6.694 3.694 20.272
140 HA ILE 19 HA ILE 19 -8.629 5.283 21.598
141 HB ILE 19 HB ILE 19 -8.720 3.783 18.968
142 HG12 ILE 19 HG12 ILE 19 -8.447 6.747 19.532
143 HG13 ILE 19 HG11 ILE 19 -7.062 5.679 19.300
144 HG21 ILE 19 HG21 ILE 19 -10.673 5.726 20.225
145 HG22 ILE 19 HG22 ILE 19 -11.003 4.102 19.618
146 HG23 ILE 19 HG23 ILE 19 -10.627 5.404 18.491
147 HD11 ILE 19 HD11 ILE 19 -7.786 5.113 17.064
148 HD12 ILE 19 HD12 ILE 19 -7.796 6.870 17.203
149 HD13 ILE 19 HD13 ILE 19 -9.310 5.971 17.291
150 H ALA 20 HN ALA 20 -8.535 1.881 20.635
151 HA ALA 20 HA ALA 20 -11.145 1.292 21.706
152 HB1 ALA 20 HB1 ALA 20 -8.884 -0.490 20.773
153 HB2 ALA 20 HB2 ALA 20 -10.328 -0.045 19.865
154 HB3 ALA 20 HB3 ALA 20 -10.464 -1.083 21.284
155 HN1 NH2 21 H2 NH2 21 -8.298 0.723 24.537
156 HN2 NH2 21 H1 NH2 21 -7.898 1.370 23.018
Start of MODEL 26
1 H1 ACE 0 HA2 ACE 0 2.833 -4.801 -4.990
2 H2 ACE 0 HA3 ACE 0 4.348 -5.134 -5.833
3 H3 ACE 0 HA1 ACE 0 3.878 -3.470 -5.488
4 H LEU 1 HN LEU 1 6.344 -4.770 -4.719
5 HA LEU 1 HA LEU 1 6.348 -5.592 -2.017
6 HB2 LEU 1 HB2 LEU 1 8.486 -4.320 -3.733
7 HB3 LEU 1 HB1 LEU 1 8.787 -4.954 -2.118
8 HG LEU 1 HG LEU 1 7.591 -6.596 -4.367
9 HD11 LEU 1 HD11 LEU 1 10.466 -6.369 -3.427
10 HD12 LEU 1 HD12 LEU 1 9.837 -5.911 -5.009
11 HD13 LEU 1 HD13 LEU 1 9.873 -7.609 -4.534
12 HD21 LEU 1 HD21 LEU 1 8.648 -8.431 -2.757
13 HD22 LEU 1 HD22 LEU 1 7.062 -7.755 -2.409
14 HD23 LEU 1 HD23 LEU 1 8.480 -7.164 -1.543
15 H GLY 2 HN GLY 2 6.781 -2.433 -3.547
16 HA2 GLY 2 HA2 GLY 2 7.253 -1.004 -1.116
17 HA3 GLY 2 HA1 GLY 2 6.872 -0.298 -2.685
18 H LEU 3 HN LEU 3 4.450 -1.795 -3.063
19 HA LEU 3 HA LEU 3 2.630 -0.024 -1.868
20 HB2 LEU 3 HB2 LEU 3 2.154 -2.688 -3.204
21 HB3 LEU 3 HB1 LEU 3 0.886 -1.538 -2.780
22 HG LEU 3 HG LEU 3 3.230 -0.930 -4.609
23 HD11 LEU 3 HD11 LEU 3 0.325 -1.551 -5.223
24 HD12 LEU 3 HD12 LEU 3 1.720 -2.539 -5.650
25 HD13 LEU 3 HD13 LEU 3 1.495 -0.960 -6.403
26 HD21 LEU 3 HD21 LEU 3 2.598 1.175 -3.843
27 HD22 LEU 3 HD22 LEU 3 0.934 0.686 -3.524
28 HD23 LEU 3 HD23 LEU 3 1.461 1.002 -5.176
29 H LEU 4 HN LEU 4 3.714 -3.249 -0.990
30 HA LEU 4 HA LEU 4 1.762 -3.805 0.973
31 HB2 LEU 4 HB2 LEU 4 3.665 -5.288 -0.111
32 HB3 LEU 4 HB1 LEU 4 4.608 -4.736 1.263
33 HG LEU 4 HG LEU 4 3.636 -6.807 1.929
34 HD11 LEU 4 HD11 LEU 4 2.393 -6.228 3.856
35 HD12 LEU 4 HD12 LEU 4 1.713 -4.798 3.092
36 HD13 LEU 4 HD13 LEU 4 3.421 -4.834 3.541
37 HD21 LEU 4 HD21 LEU 4 1.810 -6.623 0.065
38 HD22 LEU 4 HD22 LEU 4 0.834 -5.867 1.321
39 HD23 LEU 4 HD23 LEU 4 1.434 -7.507 1.539
40 H SER 5 HN SER 5 4.900 -2.164 1.134
41 HA SER 5 HA SER 5 4.717 -1.681 3.976
42 HB2 SER 5 HB2 SER 5 6.803 -0.506 3.719
43 HB3 SER 5 HB1 SER 5 6.880 -1.969 2.743
44 HG SER 5 HG SER 5 5.870 0.340 1.549
45 H TYR 6 HN TYR 6 3.032 -0.420 1.496
46 HA TYR 6 HA TYR 6 3.189 2.372 1.754
47 HB2 TYR 6 HB2 TYR 6 1.955 1.058 -0.001
48 HB3 TYR 6 HB1 TYR 6 0.694 0.762 1.185
49 HD1 TYR 6 HD1 TYR 6 -0.430 2.808 2.279
50 HD2 TYR 6 HD2 TYR 6 2.020 3.048 -1.241
51 HE1 TYR 6 HE1 TYR 6 -1.447 4.999 1.715
52 HE2 TYR 6 HE2 TYR 6 1.008 5.230 -1.804
53 HH TYR 6 HH TYR 6 -0.207 7.164 -0.193
54 H GLY 7 HN GLY 7 1.103 0.013 3.412
55 HA2 GLY 7 HA2 GLY 7 1.053 0.891 5.937
56 HA3 GLY 7 HA1 GLY 7 -0.007 2.064 5.161
57 H ALA 8 HN ALA 8 0.478 -1.480 5.043
58 HA ALA 8 HA ALA 8 -2.202 -2.089 4.410
59 HB1 ALA 8 HB1 ALA 8 -1.634 -4.376 4.958
60 HB2 ALA 8 HB2 ALA 8 -0.232 -3.848 5.887
61 HB3 ALA 8 HB3 ALA 8 -0.258 -3.643 4.137
62 H GLY 9 HN GLY 9 -0.503 -1.779 7.495
63 HA2 GLY 9 HA2 GLY 9 -2.376 -0.819 9.125
64 HA3 GLY 9 HA1 GLY 9 -2.896 -2.498 9.018
65 H VAL 10 HN VAL 10 -0.003 -0.529 9.690
66 HA VAL 10 HA VAL 10 1.122 -2.674 11.352
67 HB VAL 10 HB VAL 10 2.207 0.004 10.458
68 HG11 VAL 10 HG11 VAL 10 3.207 -0.432 12.585
69 HG12 VAL 10 HG12 VAL 10 4.378 -0.986 11.388
70 HG13 VAL 10 HG13 VAL 10 3.365 -2.154 12.235
71 HG21 VAL 10 HG21 VAL 10 2.092 -1.665 8.675
72 HG22 VAL 10 HG22 VAL 10 2.856 -2.865 9.717
73 HG23 VAL 10 HG23 VAL 10 3.773 -1.459 9.173
74 H ALA 11 HN ALA 11 1.184 0.835 11.846
75 HA ALA 11 HA ALA 11 0.544 0.434 14.691
76 HB1 ALA 11 HB1 ALA 11 2.533 1.777 14.131
77 HB2 ALA 11 HB2 ALA 11 1.316 2.747 14.962
78 HB3 ALA 11 HB3 ALA 11 1.519 2.894 13.217
79 H SER 12 HN SER 12 -1.063 1.088 11.853
80 HA SER 12 HA SER 12 -2.935 3.046 12.928
81 HB2 SER 12 HB2 SER 12 -3.928 3.021 10.739
82 HB3 SER 12 HB1 SER 12 -2.178 3.069 10.544
83 HG SER 12 HG SER 12 -2.430 1.320 9.421
84 H LEU 13 HN LEU 13 -2.604 -0.295 13.145
85 HA LEU 13 HA LEU 13 -5.533 -0.707 13.351
86 HB2 LEU 13 HB2 LEU 13 -3.603 -2.166 11.948
87 HB3 LEU 13 HB1 LEU 13 -3.902 -3.157 13.370
88 HG LEU 13 HG LEU 13 -6.084 -2.077 11.556
89 HD11 LEU 13 HD11 LEU 13 -4.778 -3.683 10.315
90 HD12 LEU 13 HD12 LEU 13 -6.254 -4.492 10.846
91 HD13 LEU 13 HD13 LEU 13 -4.733 -4.786 11.690
92 HD21 LEU 13 HD21 LEU 13 -7.005 -2.490 13.716
93 HD22 LEU 13 HD22 LEU 13 -6.022 -3.933 13.947
94 HD23 LEU 13 HD23 LEU 13 -7.358 -3.952 12.797
95 HA PRO 14 HA PRO 14 -3.986 -2.485 17.419
96 HB2 PRO 14 HB2 PRO 14 -1.367 -2.676 18.020
97 HB3 PRO 14 HB1 PRO 14 -2.143 -3.800 16.883
98 HG2 PRO 14 HG2 PRO 14 -0.313 -1.527 16.333
99 HG3 PRO 14 HG1 PRO 14 -0.536 -3.038 15.437
100 HD2 PRO 14 HD2 PRO 14 -1.699 -0.483 14.826
101 HD3 PRO 14 HD1 PRO 14 -2.033 -2.026 14.017
102 H LEU 15 HN LEU 15 -1.359 -0.111 16.891
103 HA LEU 15 HA LEU 15 -1.539 1.067 19.442
104 HB2 LEU 15 HB2 LEU 15 -0.399 2.042 16.824
105 HB3 LEU 15 HB1 LEU 15 -0.283 2.980 18.309
106 HG LEU 15 HG LEU 15 0.625 0.094 18.217
107 HD11 LEU 15 HD11 LEU 15 2.129 2.582 17.377
108 HD12 LEU 15 HD12 LEU 15 1.924 1.080 16.477
109 HD13 LEU 15 HD13 LEU 15 2.959 1.117 17.903
110 HD21 LEU 15 HD21 LEU 15 2.190 1.028 20.019
111 HD22 LEU 15 HD22 LEU 15 0.489 0.971 20.458
112 HD23 LEU 15 HD23 LEU 15 1.223 2.498 19.975
113 H LEU 16 HN LEU 16 -3.005 1.977 16.345
114 HA LEU 16 HA LEU 16 -4.151 4.400 17.210
115 HB2 LEU 16 HB2 LEU 16 -3.968 3.823 14.851
116 HB3 LEU 16 HB1 LEU 16 -5.075 2.472 15.065
117 HG LEU 16 HG LEU 16 -6.883 4.026 15.674
118 HD11 LEU 16 HD11 LEU 16 -5.882 5.867 16.735
119 HD12 LEU 16 HD12 LEU 16 -6.317 6.542 15.169
120 HD13 LEU 16 HD13 LEU 16 -4.654 6.047 15.483
121 HD21 LEU 16 HD21 LEU 16 -6.698 3.509 13.331
122 HD22 LEU 16 HD22 LEU 16 -5.380 4.663 13.122
123 HD23 LEU 16 HD23 LEU 16 -7.014 5.240 13.451
124 H ASN 17 HN ASN 17 -5.318 1.068 17.296
125 HA ASN 17 HA ASN 17 -7.952 1.592 18.135
126 HB2 ASN 17 HB2 ASN 17 -6.104 -0.771 18.409
127 HB3 ASN 17 HB1 ASN 17 -7.705 -0.793 19.147
128 HD21 ASN 17 HD21 ASN 17 -6.920 0.815 16.053
129 HD22 ASN 17 HD22 ASN 17 -7.886 -0.205 15.101
130 H VAL 18 HN VAL 18 -4.950 1.149 19.976
131 HA VAL 18 HA VAL 18 -6.112 1.115 22.553
132 HB VAL 18 HB VAL 18 -3.364 1.999 21.636
133 HG11 VAL 18 HG11 VAL 18 -2.782 1.548 24.071
134 HG12 VAL 18 HG12 VAL 18 -4.514 1.535 24.400
135 HG13 VAL 18 HG13 VAL 18 -3.742 2.999 23.791
136 HG21 VAL 18 HG21 VAL 18 -4.019 -0.382 21.216
137 HG22 VAL 18 HG22 VAL 18 -4.321 -0.567 22.944
138 HG23 VAL 18 HG23 VAL 18 -2.689 -0.228 22.363
139 H ILE 19 HN ILE 19 -4.747 3.788 20.632
140 HA ILE 19 HA ILE 19 -5.317 5.816 22.549
141 HB ILE 19 HB ILE 19 -5.006 6.098 19.554
142 HG12 ILE 19 HG12 ILE 19 -3.073 4.935 20.492
143 HG13 ILE 19 HG11 ILE 19 -2.621 6.585 20.084
144 HG21 ILE 19 HG21 ILE 19 -5.938 8.089 20.608
145 HG22 ILE 19 HG22 ILE 19 -4.260 8.394 20.154
146 HG23 ILE 19 HG23 ILE 19 -4.673 8.063 21.837
147 HD11 ILE 19 HD11 ILE 19 -1.689 6.300 22.218
148 HD12 ILE 19 HD12 ILE 19 -3.060 5.363 22.803
149 HD13 ILE 19 HD13 ILE 19 -3.213 7.105 22.582
150 H ALA 20 HN ALA 20 -7.035 4.600 19.698
151 HA ALA 20 HA ALA 20 -9.206 6.461 19.931
152 HB1 ALA 20 HB1 ALA 20 -8.760 5.494 17.776
153 HB2 ALA 20 HB2 ALA 20 -10.329 4.896 18.311
154 HB3 ALA 20 HB3 ALA 20 -8.907 3.859 18.420
155 HN1 NH2 21 H2 NH2 21 -10.440 2.923 21.627
156 HN2 NH2 21 H1 NH2 21 -9.267 2.875 20.401
Start of MODEL 27
1 H1 ACE 0 HA2 ACE 0 5.860 -7.074 1.262
2 H2 ACE 0 HA3 ACE 0 7.601 -6.817 1.348
3 H3 ACE 0 HA1 ACE 0 6.872 -7.425 -0.138
4 H LEU 1 HN LEU 1 7.503 -5.761 -1.491
5 HA LEU 1 HA LEU 1 7.365 -3.011 -0.879
6 HB2 LEU 1 HB2 LEU 1 7.339 -4.491 -3.513
7 HB3 LEU 1 HB1 LEU 1 7.435 -2.738 -3.395
8 HG LEU 1 HG LEU 1 9.383 -4.597 -2.000
9 HD11 LEU 1 HD11 LEU 1 10.938 -3.985 -3.887
10 HD12 LEU 1 HD12 LEU 1 9.552 -3.293 -4.731
11 HD13 LEU 1 HD13 LEU 1 9.593 -5.019 -4.368
12 HD21 LEU 1 HD21 LEU 1 9.597 -2.483 -0.988
13 HD22 LEU 1 HD22 LEU 1 9.212 -1.618 -2.473
14 HD23 LEU 1 HD23 LEU 1 10.788 -2.379 -2.279
15 H GLY 2 HN GLY 2 5.068 -5.183 -2.497
16 HA2 GLY 2 HA2 GLY 2 3.136 -3.148 -3.054
17 HA3 GLY 2 HA1 GLY 2 2.870 -4.889 -3.122
18 H LEU 3 HN LEU 3 3.583 -5.549 -0.510
19 HA LEU 3 HA LEU 3 1.159 -5.120 0.852
20 HB2 LEU 3 HB2 LEU 3 3.828 -6.095 1.882
21 HB3 LEU 3 HB1 LEU 3 2.312 -6.197 2.776
22 HG LEU 3 HG LEU 3 2.797 -7.447 0.054
23 HD11 LEU 3 HD11 LEU 3 2.716 -9.598 1.392
24 HD12 LEU 3 HD12 LEU 3 2.849 -8.613 2.849
25 HD13 LEU 3 HD13 LEU 3 4.151 -8.612 1.658
26 HD21 LEU 3 HD21 LEU 3 0.441 -7.331 1.930
27 HD22 LEU 3 HD22 LEU 3 0.671 -8.765 0.931
28 HD23 LEU 3 HD23 LEU 3 0.477 -7.191 0.172
29 H LEU 4 HN LEU 4 4.296 -3.557 1.066
30 HA LEU 4 HA LEU 4 3.889 -2.083 3.414
31 HB2 LEU 4 HB2 LEU 4 6.085 -2.295 2.357
32 HB3 LEU 4 HB1 LEU 4 5.521 -1.383 0.959
33 HG LEU 4 HG LEU 4 5.158 0.599 2.378
34 HD11 LEU 4 HD11 LEU 4 6.244 0.400 4.756
35 HD12 LEU 4 HD12 LEU 4 5.951 -1.328 4.559
36 HD13 LEU 4 HD13 LEU 4 4.600 -0.192 4.523
37 HD21 LEU 4 HD21 LEU 4 7.879 -0.713 2.616
38 HD22 LEU 4 HD22 LEU 4 7.576 0.979 3.003
39 HD23 LEU 4 HD23 LEU 4 7.339 0.394 1.356
40 H SER 5 HN SER 5 3.002 -1.406 0.052
41 HA SER 5 HA SER 5 2.247 1.276 0.337
42 HB2 SER 5 HB2 SER 5 2.454 0.145 -1.842
43 HB3 SER 5 HB1 SER 5 1.034 -0.828 -1.470
44 HG SER 5 HG SER 5 1.232 1.959 -1.896
45 H TYR 6 HN TYR 6 0.315 -1.695 0.782
46 HA TYR 6 HA TYR 6 -2.125 -0.370 1.365
47 HB2 TYR 6 HB2 TYR 6 -1.101 -3.117 2.108
48 HB3 TYR 6 HB1 TYR 6 -2.732 -2.559 2.477
49 HD1 TYR 6 HD2 TYR 6 -4.289 -1.926 0.621
50 HD2 TYR 6 HD1 TYR 6 -0.474 -3.742 -0.112
51 HE1 TYR 6 HE2 TYR 6 -5.006 -2.499 -1.686
52 HE2 TYR 6 HE1 TYR 6 -1.182 -4.313 -2.418
53 HH TYR 6 HH TYR 6 -3.538 -4.712 -3.572
54 H GLY 7 HN GLY 7 0.529 -1.532 3.386
55 HA2 GLY 7 HA2 GLY 7 -0.672 -0.234 5.763
56 HA3 GLY 7 HA1 GLY 7 0.533 -1.520 5.800
57 H ALA 8 HN ALA 8 0.530 1.321 3.724
58 HA ALA 8 HA ALA 8 3.233 1.934 4.094
59 HB1 ALA 8 HB1 ALA 8 0.944 3.733 3.271
60 HB2 ALA 8 HB2 ALA 8 1.977 2.791 2.196
61 HB3 ALA 8 HB3 ALA 8 2.651 4.142 3.109
62 H GLY 9 HN GLY 9 0.364 3.051 5.839
63 HA2 GLY 9 HA2 GLY 9 2.138 4.232 7.891
64 HA3 GLY 9 HA1 GLY 9 0.746 5.126 7.286
65 H VAL 10 HN VAL 10 -0.265 5.183 9.277
66 HA VAL 10 HA VAL 10 -1.676 4.492 10.940
67 HB VAL 10 HB VAL 10 -2.145 1.935 9.415
68 HG11 VAL 10 HG11 VAL 10 -3.924 3.828 10.988
69 HG12 VAL 10 HG12 VAL 10 -3.333 2.264 11.545
70 HG13 VAL 10 HG13 VAL 10 -4.466 2.349 10.197
71 HG21 VAL 10 HG21 VAL 10 -2.208 3.530 7.647
72 HG22 VAL 10 HG22 VAL 10 -2.960 4.753 8.671
73 HG23 VAL 10 HG23 VAL 10 -3.887 3.348 8.144
74 H ALA 11 HN ALA 11 1.129 2.891 10.192
75 HA ALA 11 HA ALA 11 2.462 1.356 11.268
76 HB1 ALA 11 HB1 ALA 11 2.530 1.610 13.710
77 HB2 ALA 11 HB2 ALA 11 1.013 2.508 13.664
78 HB3 ALA 11 HB3 ALA 11 2.460 3.180 12.912
79 H SER 12 HN SER 12 -0.106 0.338 10.323
80 HA SER 12 HA SER 12 -1.210 -1.682 10.392
81 HB2 SER 12 HB2 SER 12 -0.170 -3.486 11.405
82 HB3 SER 12 HB1 SER 12 1.178 -2.354 11.346
83 HG SER 12 HG SER 12 -0.624 -2.641 13.525
84 H LEU 13 HN LEU 13 -1.689 0.742 12.249
85 HA LEU 13 HA LEU 13 -3.216 1.386 13.832
86 HB2 LEU 13 HB2 LEU 13 -4.641 0.113 12.101
87 HB3 LEU 13 HB1 LEU 13 -4.635 -1.212 13.262
88 HG LEU 13 HG LEU 13 -5.396 0.685 14.965
89 HD11 LEU 13 HD11 LEU 13 -6.658 2.465 13.999
90 HD12 LEU 13 HD12 LEU 13 -6.573 1.752 12.389
91 HD13 LEU 13 HD13 LEU 13 -5.132 2.451 13.120
92 HD21 LEU 13 HD21 LEU 13 -7.770 0.166 14.387
93 HD22 LEU 13 HD22 LEU 13 -6.755 -1.275 14.404
94 HD23 LEU 13 HD23 LEU 13 -7.219 -0.542 12.870
95 HA PRO 14 HA PRO 14 -1.785 -1.585 17.069
96 HB2 PRO 14 HB2 PRO 14 0.475 -0.370 17.946
97 HB3 PRO 14 HB1 PRO 14 0.463 -1.406 16.505
98 HG2 PRO 14 HG2 PRO 14 0.708 1.531 16.686
99 HG3 PRO 14 HG1 PRO 14 1.198 0.437 15.387
100 HD2 PRO 14 HD2 PRO 14 -1.229 2.034 15.547
101 HD3 PRO 14 HD1 PRO 14 -0.690 0.991 14.219
102 H LEU 15 HN LEU 15 -0.665 1.692 17.828
103 HA LEU 15 HA LEU 15 -1.808 1.764 20.410
104 HB2 LEU 15 HB2 LEU 15 -0.796 3.963 18.597
105 HB3 LEU 15 HB1 LEU 15 -1.289 4.228 20.265
106 HG LEU 15 HG LEU 15 0.817 2.198 19.469
107 HD11 LEU 15 HD11 LEU 15 1.582 4.415 18.784
108 HD12 LEU 15 HD12 LEU 15 2.470 3.900 20.218
109 HD13 LEU 15 HD13 LEU 15 1.163 5.075 20.365
110 HD21 LEU 15 HD21 LEU 15 -0.188 3.343 22.079
111 HD22 LEU 15 HD22 LEU 15 1.464 2.743 21.961
112 HD23 LEU 15 HD23 LEU 15 0.115 1.660 21.649
113 H LEU 16 HN LEU 16 -2.884 2.965 17.278
114 HA LEU 16 HA LEU 16 -5.082 4.488 18.140
115 HB2 LEU 16 HB2 LEU 16 -4.635 2.940 15.579
116 HB3 LEU 16 HB1 LEU 16 -5.958 4.076 15.824
117 HG LEU 16 HG LEU 16 -3.033 4.802 16.140
118 HD11 LEU 16 HD11 LEU 16 -3.587 4.117 13.818
119 HD12 LEU 16 HD12 LEU 16 -3.206 5.836 13.928
120 HD13 LEU 16 HD13 LEU 16 -4.884 5.312 13.793
121 HD21 LEU 16 HD21 LEU 16 -5.637 6.319 16.274
122 HD22 LEU 16 HD22 LEU 16 -4.197 7.145 15.684
123 HD23 LEU 16 HD23 LEU 16 -4.211 6.455 17.302
124 H ASN 17 HN ASN 17 -4.778 1.053 17.337
125 HA ASN 17 HA ASN 17 -7.508 0.379 17.520
126 HB2 ASN 17 HB2 ASN 17 -5.848 -1.133 16.549
127 HB3 ASN 17 HB1 ASN 17 -5.069 -1.310 18.121
128 HD21 ASN 17 HD21 ASN 17 -5.839 -3.698 17.217
129 HD22 ASN 17 HD22 ASN 17 -7.303 -4.218 17.900
130 H VAL 18 HN VAL 18 -4.936 0.456 19.961
131 HA VAL 18 HA VAL 18 -6.487 -0.576 22.104
132 HB VAL 18 HB VAL 18 -4.055 1.228 22.116
133 HG11 VAL 18 HG11 VAL 18 -5.126 1.457 24.248
134 HG12 VAL 18 HG12 VAL 18 -3.830 0.283 24.475
135 HG13 VAL 18 HG13 VAL 18 -5.499 -0.264 24.316
136 HG21 VAL 18 HG21 VAL 18 -3.884 -1.088 21.069
137 HG22 VAL 18 HG22 VAL 18 -4.265 -1.744 22.661
138 HG23 VAL 18 HG23 VAL 18 -2.798 -0.795 22.425
139 H ILE 19 HN ILE 19 -5.746 2.718 21.026
140 HA ILE 19 HA ILE 19 -7.151 4.071 23.076
141 HB ILE 19 HB ILE 19 -6.443 4.896 20.249
142 HG12 ILE 19 HG12 ILE 19 -5.233 5.726 22.898
143 HG13 ILE 19 HG11 ILE 19 -4.610 4.389 21.932
144 HG21 ILE 19 HG21 ILE 19 -7.662 6.442 22.549
145 HG22 ILE 19 HG22 ILE 19 -8.264 6.304 20.896
146 HG23 ILE 19 HG23 ILE 19 -6.802 7.233 21.227
147 HD11 ILE 19 HD11 ILE 19 -4.844 7.282 21.058
148 HD12 ILE 19 HD12 ILE 19 -4.343 5.960 20.006
149 HD13 ILE 19 HD13 ILE 19 -3.351 6.406 21.395
150 H ALA 20 HN ALA 20 -8.080 2.977 19.839
151 HA ALA 20 HA ALA 20 -10.733 4.038 19.951
152 HB1 ALA 20 HB1 ALA 20 -9.770 3.593 17.796
153 HB2 ALA 20 HB2 ALA 20 -11.121 2.480 18.007
154 HB3 ALA 20 HB3 ALA 20 -9.466 1.908 18.217
155 HN1 NH2 21 H2 NH2 21 -10.771 0.250 21.495
156 HN2 NH2 21 H1 NH2 21 -9.342 0.865 20.815
Start of MODEL 28
1 H1 ACE 0 HA2 ACE 0 0.383 -7.618 0.658
2 H2 ACE 0 HA3 ACE 0 -0.692 -6.289 0.222
3 H3 ACE 0 HA1 ACE 0 0.718 -5.986 1.238
4 H LEU 1 HN LEU 1 2.727 -7.271 -0.024
5 HA LEU 1 HA LEU 1 4.340 -6.700 -1.589
6 HB2 LEU 1 HB2 LEU 1 2.063 -7.544 -3.388
7 HB3 LEU 1 HB1 LEU 1 3.778 -7.557 -3.806
8 HG LEU 1 HG LEU 1 2.587 -9.104 -1.492
9 HD11 LEU 1 HD11 LEU 1 2.825 -11.092 -2.933
10 HD12 LEU 1 HD12 LEU 1 3.385 -10.069 -4.257
11 HD13 LEU 1 HD13 LEU 1 1.730 -9.919 -3.667
12 HD21 LEU 1 HD21 LEU 1 5.336 -8.892 -2.721
13 HD22 LEU 1 HD22 LEU 1 4.848 -10.381 -1.914
14 HD23 LEU 1 HD23 LEU 1 4.875 -8.866 -1.018
15 H GLY 2 HN GLY 2 2.566 -4.451 -0.811
16 HA2 GLY 2 HA2 GLY 2 3.514 -2.458 -2.487
17 HA3 GLY 2 HA1 GLY 2 1.935 -2.907 -3.121
18 H LEU 3 HN LEU 3 0.434 -3.373 -0.936
19 HA LEU 3 HA LEU 3 -0.201 -0.777 -0.004
20 HB2 LEU 3 HB2 LEU 3 -1.058 -3.493 1.032
21 HB3 LEU 3 HB1 LEU 3 -1.783 -1.959 1.509
22 HG LEU 3 HG LEU 3 -1.651 -2.993 -1.339
23 HD11 LEU 3 HD11 LEU 3 -3.998 -3.518 -1.113
24 HD12 LEU 3 HD12 LEU 3 -4.048 -2.829 0.509
25 HD13 LEU 3 HD13 LEU 3 -3.138 -4.309 0.207
26 HD21 LEU 3 HD21 LEU 3 -1.863 -0.691 -1.611
27 HD22 LEU 3 HD22 LEU 3 -2.671 -0.466 -0.062
28 HD23 LEU 3 HD23 LEU 3 -3.562 -1.121 -1.435
29 H LEU 4 HN LEU 4 1.687 -3.405 1.359
30 HA LEU 4 HA LEU 4 1.894 -2.513 4.003
31 HB2 LEU 4 HB2 LEU 4 2.663 -4.735 3.206
32 HB3 LEU 4 HB1 LEU 4 3.982 -3.950 2.346
33 HG LEU 4 HG LEU 4 4.786 -3.023 4.552
34 HD11 LEU 4 HD11 LEU 4 2.921 -3.055 5.994
35 HD12 LEU 4 HD12 LEU 4 3.872 -4.424 6.558
36 HD13 LEU 4 HD13 LEU 4 2.469 -4.694 5.528
37 HD21 LEU 4 HD21 LEU 4 5.590 -5.285 5.388
38 HD22 LEU 4 HD22 LEU 4 5.893 -4.965 3.680
39 HD23 LEU 4 HD23 LEU 4 4.560 -6.016 4.159
40 H SER 5 HN SER 5 3.786 -1.665 1.128
41 HA SER 5 HA SER 5 5.803 -0.188 2.377
42 HB2 SER 5 HB2 SER 5 6.141 0.878 0.200
43 HB3 SER 5 HB1 SER 5 5.861 -0.849 0.005
44 HG SER 5 HG SER 5 4.074 -0.420 -1.018
45 H TYR 6 HN TYR 6 2.462 0.624 1.881
46 HA TYR 6 HA TYR 6 2.879 3.481 2.160
47 HB2 TYR 6 HB2 TYR 6 0.432 1.723 2.021
48 HB3 TYR 6 HB1 TYR 6 0.308 3.431 2.439
49 HD1 TYR 6 HD1 TYR 6 1.275 1.035 -0.203
50 HD2 TYR 6 HD2 TYR 6 0.720 5.166 0.811
51 HE1 TYR 6 HE1 TYR 6 1.422 1.639 -2.603
52 HE2 TYR 6 HE2 TYR 6 0.868 5.775 -1.588
53 HH TYR 6 HH TYR 6 1.772 4.883 -3.656
54 H GLY 7 HN GLY 7 3.519 1.249 4.282
55 HA2 GLY 7 HA2 GLY 7 3.830 1.415 6.576
56 HA3 GLY 7 HA1 GLY 7 2.962 2.947 6.549
57 H ALA 8 HN ALA 8 1.587 0.071 5.133
58 HA ALA 8 HA ALA 8 -0.766 0.277 6.728
59 HB1 ALA 8 HB1 ALA 8 -0.046 -2.242 5.254
60 HB2 ALA 8 HB2 ALA 8 -0.419 -0.778 4.350
61 HB3 ALA 8 HB3 ALA 8 -1.620 -1.469 5.440
62 H GLY 9 HN GLY 9 2.273 -0.955 7.402
63 HA2 GLY 9 HA2 GLY 9 1.297 -2.968 9.333
64 HA3 GLY 9 HA1 GLY 9 2.960 -2.775 8.787
65 H VAL 10 HN VAL 10 3.690 -0.311 9.230
66 HA VAL 10 HA VAL 10 3.970 -0.115 12.040
67 HB VAL 10 HB VAL 10 4.520 1.902 9.856
68 HG11 VAL 10 HG11 VAL 10 4.355 3.149 11.878
69 HG12 VAL 10 HG12 VAL 10 6.079 2.848 11.658
70 HG13 VAL 10 HG13 VAL 10 5.154 1.884 12.811
71 HG21 VAL 10 HG21 VAL 10 6.803 1.130 10.014
72 HG22 VAL 10 HG22 VAL 10 5.777 -0.291 9.812
73 HG23 VAL 10 HG23 VAL 10 6.416 0.116 11.404
74 H ALA 11 HN ALA 11 2.006 1.727 9.715
75 HA ALA 11 HA ALA 11 0.870 3.421 11.748
76 HB1 ALA 11 HB1 ALA 11 -0.304 4.468 10.005
77 HB2 ALA 11 HB2 ALA 11 -0.273 3.024 8.992
78 HB3 ALA 11 HB3 ALA 11 1.203 3.953 9.247
79 H SER 12 HN SER 12 0.464 0.263 11.372
80 HA SER 12 HA SER 12 -2.457 0.305 11.896
81 HB2 SER 12 HB2 SER 12 -2.422 -2.076 11.206
82 HB3 SER 12 HB1 SER 12 -1.937 -0.983 9.913
83 HG SER 12 HG SER 12 -0.606 -3.024 10.793
84 H LEU 13 HN LEU 13 -0.696 0.981 13.902
85 HA LEU 13 HA LEU 13 -1.206 -1.185 15.799
86 HB2 LEU 13 HB2 LEU 13 1.369 -0.838 14.743
87 HB3 LEU 13 HB1 LEU 13 1.450 -0.005 16.290
88 HG LEU 13 HG LEU 13 0.315 -2.155 17.255
89 HD11 LEU 13 HD11 LEU 13 1.458 -3.187 14.639
90 HD12 LEU 13 HD12 LEU 13 -0.243 -3.197 15.107
91 HD13 LEU 13 HD13 LEU 13 0.916 -4.203 15.974
92 HD21 LEU 13 HD21 LEU 13 2.500 -3.182 17.607
93 HD22 LEU 13 HD22 LEU 13 2.675 -1.429 17.668
94 HD23 LEU 13 HD23 LEU 13 3.167 -2.315 16.224
95 HA PRO 14 HA PRO 14 -0.501 2.962 18.158
96 HB2 PRO 14 HB2 PRO 14 -0.485 5.048 16.050
97 HB3 PRO 14 HB1 PRO 14 0.660 4.792 17.380
98 HG2 PRO 14 HG2 PRO 14 1.328 4.305 14.831
99 HG3 PRO 14 HG1 PRO 14 1.941 3.303 16.162
100 HD2 PRO 14 HD2 PRO 14 -0.336 2.730 14.274
101 HD3 PRO 14 HD1 PRO 14 0.977 1.655 14.800
102 H LEU 15 HN LEU 15 -2.126 3.963 15.145
103 HA LEU 15 HA LEU 15 -4.293 5.258 16.388
104 HB2 LEU 15 HB2 LEU 15 -3.956 4.119 13.612
105 HB3 LEU 15 HB1 LEU 15 -5.351 5.074 14.100
106 HG LEU 15 HG LEU 15 -2.496 6.049 14.393
107 HD11 LEU 15 HD11 LEU 15 -2.790 5.743 12.049
108 HD12 LEU 15 HD12 LEU 15 -3.103 7.454 12.344
109 HD13 LEU 15 HD13 LEU 15 -4.448 6.339 12.105
110 HD21 LEU 15 HD21 LEU 15 -3.873 8.299 14.249
111 HD22 LEU 15 HD22 LEU 15 -3.826 7.413 15.768
112 HD23 LEU 15 HD23 LEU 15 -5.234 7.281 14.716
113 H LEU 16 HN LEU 16 -4.005 1.961 15.081
114 HA LEU 16 HA LEU 16 -6.711 1.250 15.452
115 HB2 LEU 16 HB2 LEU 16 -4.211 -0.448 15.406
116 HB3 LEU 16 HB1 LEU 16 -5.845 -1.107 15.419
117 HG LEU 16 HG LEU 16 -4.787 0.812 13.319
118 HD11 LEU 16 HD11 LEU 16 -4.435 -1.029 11.885
119 HD12 LEU 16 HD12 LEU 16 -5.369 -2.121 12.906
120 HD13 LEU 16 HD13 LEU 16 -3.779 -1.570 13.426
121 HD21 LEU 16 HD21 LEU 16 -7.092 1.083 13.190
122 HD22 LEU 16 HD22 LEU 16 -7.434 -0.531 13.810
123 HD23 LEU 16 HD23 LEU 16 -6.910 -0.317 12.139
124 H ASN 17 HN ASN 17 -3.895 1.009 17.578
125 HA ASN 17 HA ASN 17 -5.157 -0.429 19.654
126 HB2 ASN 17 HB2 ASN 17 -2.727 -0.144 19.573
127 HB3 ASN 17 HB1 ASN 17 -2.908 1.595 19.816
128 HD21 ASN 17 HD21 ASN 17 -1.406 0.600 21.761
129 HD22 ASN 17 HD22 ASN 17 -2.273 0.305 23.191
130 H VAL 18 HN VAL 18 -4.884 3.047 19.009
131 HA VAL 18 HA VAL 18 -6.161 3.935 21.379
132 HB VAL 18 HB VAL 18 -5.889 5.207 18.645
133 HG11 VAL 18 HG11 VAL 18 -6.400 7.333 19.983
134 HG12 VAL 18 HG12 VAL 18 -7.026 6.266 21.240
135 HG13 VAL 18 HG13 VAL 18 -7.771 6.277 19.641
136 HG21 VAL 18 HG21 VAL 18 -4.047 6.379 19.581
137 HG22 VAL 18 HG22 VAL 18 -3.839 4.716 20.129
138 HG23 VAL 18 HG23 VAL 18 -4.493 5.932 21.228
139 H ILE 19 HN ILE 19 -7.376 3.259 18.112
140 HA ILE 19 HA ILE 19 -10.080 3.930 18.617
141 HB ILE 19 HB ILE 19 -8.823 2.061 16.592
142 HG12 ILE 19 HG12 ILE 19 -9.991 4.837 16.254
143 HG13 ILE 19 HG11 ILE 19 -8.277 4.540 16.543
144 HG21 ILE 19 HG21 ILE 19 -11.102 1.367 16.783
145 HG22 ILE 19 HG22 ILE 19 -11.056 2.454 15.397
146 HG23 ILE 19 HG23 ILE 19 -11.670 3.028 16.946
147 HD11 ILE 19 HD11 ILE 19 -9.811 3.255 14.272
148 HD12 ILE 19 HD12 ILE 19 -8.063 3.292 14.503
149 HD13 ILE 19 HD13 ILE 19 -8.931 4.773 14.100
150 H ALA 20 HN ALA 20 -8.274 0.892 18.795
151 HA ALA 20 HA ALA 20 -10.454 -0.789 19.443
152 HB1 ALA 20 HB1 ALA 20 -8.404 -1.792 18.714
153 HB2 ALA 20 HB2 ALA 20 -8.644 -2.287 20.390
154 HB3 ALA 20 HB3 ALA 20 -7.492 -1.010 20.005
155 HN1 NH2 21 H2 NH2 21 -9.043 0.686 23.011
156 HN2 NH2 21 H1 NH2 21 -8.068 0.806 21.627
Start of MODEL 29
1 H1 ACE 0 HA2 ACE 0 0.545 -9.360 2.260
2 H2 ACE 0 HA3 ACE 0 0.450 -9.177 0.509
3 H3 ACE 0 HA1 ACE 0 -0.487 -8.114 1.560
4 H LEU 1 HN LEU 1 2.365 -8.443 -0.189
5 HA LEU 1 HA LEU 1 4.215 -6.970 1.352
6 HB2 LEU 1 HB2 LEU 1 3.940 -7.325 -1.636
7 HB3 LEU 1 HB1 LEU 1 5.309 -6.520 -0.874
8 HG LEU 1 HG LEU 1 4.428 -9.341 -0.203
9 HD11 LEU 1 HD11 LEU 1 6.475 -8.308 -2.175
10 HD12 LEU 1 HD12 LEU 1 5.135 -9.414 -2.479
11 HD13 LEU 1 HD13 LEU 1 6.523 -9.950 -1.534
12 HD21 LEU 1 HD21 LEU 1 5.737 -8.681 1.610
13 HD22 LEU 1 HD22 LEU 1 6.702 -7.559 0.652
14 HD23 LEU 1 HD23 LEU 1 6.989 -9.293 0.536
15 H GLY 2 HN GLY 2 1.781 -5.961 -1.019
16 HA2 GLY 2 HA2 GLY 2 2.492 -3.215 -1.068
17 HA3 GLY 2 HA1 GLY 2 0.939 -3.891 -1.558
18 H LEU 3 HN LEU 3 0.179 -5.110 0.806
19 HA LEU 3 HA LEU 3 -0.964 -2.942 2.185
20 HB2 LEU 3 HB2 LEU 3 -0.758 -5.863 2.912
21 HB3 LEU 3 HB1 LEU 3 -1.716 -4.691 3.817
22 HG LEU 3 HG LEU 3 -2.058 -5.278 0.859
23 HD11 LEU 3 HD11 LEU 3 -4.029 -6.537 1.475
24 HD12 LEU 3 HD12 LEU 3 -3.824 -6.113 3.175
25 HD13 LEU 3 HD13 LEU 3 -2.661 -7.179 2.384
26 HD21 LEU 3 HD21 LEU 3 -3.349 -3.364 2.788
27 HD22 LEU 3 HD22 LEU 3 -4.370 -4.108 1.557
28 HD23 LEU 3 HD23 LEU 3 -2.972 -3.153 1.078
29 H LEU 4 HN LEU 4 1.793 -5.028 2.897
30 HA LEU 4 HA LEU 4 2.282 -4.107 5.519
31 HB2 LEU 4 HB2 LEU 4 3.312 -6.095 4.115
32 HB3 LEU 4 HB1 LEU 4 4.522 -4.901 3.674
33 HG LEU 4 HG LEU 4 5.371 -6.060 5.589
34 HD11 LEU 4 HD11 LEU 4 4.203 -3.535 6.755
35 HD12 LEU 4 HD12 LEU 4 5.502 -3.510 5.559
36 HD13 LEU 4 HD13 LEU 4 5.752 -4.290 7.118
37 HD21 LEU 4 HD21 LEU 4 2.912 -6.767 6.275
38 HD22 LEU 4 HD22 LEU 4 3.005 -5.345 7.312
39 HD23 LEU 4 HD23 LEU 4 4.173 -6.649 7.496
40 H SER 5 HN SER 5 3.668 -3.065 2.395
41 HA SER 5 HA SER 5 5.239 -0.958 3.464
42 HB2 SER 5 HB2 SER 5 5.624 -1.905 1.223
43 HB3 SER 5 HB1 SER 5 4.075 -1.263 0.685
44 HG SER 5 HG SER 5 5.095 0.809 1.607
45 H TYR 6 HN TYR 6 2.012 -1.050 2.024
46 HA TYR 6 HA TYR 6 1.450 1.709 2.149
47 HB2 TYR 6 HB2 TYR 6 0.119 0.277 0.765
48 HB3 TYR 6 HB1 TYR 6 -0.321 -0.732 2.135
49 HD1 TYR 6 HD1 TYR 6 -0.487 2.853 1.036
50 HD2 TYR 6 HD2 TYR 6 -2.376 -0.352 3.179
51 HE1 TYR 6 HE1 TYR 6 -2.471 4.287 1.437
52 HE2 TYR 6 HE2 TYR 6 -4.355 1.076 3.581
53 HH TYR 6 HH TYR 6 -4.563 3.949 3.644
54 H GLY 7 HN GLY 7 0.768 -0.931 4.430
55 HA2 GLY 7 HA2 GLY 7 -0.157 1.022 6.446
56 HA3 GLY 7 HA1 GLY 7 -0.417 -0.719 6.495
57 H ALA 8 HN ALA 8 2.682 0.702 5.687
58 HA ALA 8 HA ALA 8 4.095 -0.828 7.592
59 HB1 ALA 8 HB1 ALA 8 4.959 0.329 5.444
60 HB2 ALA 8 HB2 ALA 8 6.025 0.289 6.846
61 HB3 ALA 8 HB3 ALA 8 5.137 1.762 6.457
62 H GLY 9 HN GLY 9 2.820 2.454 7.652
63 HA2 GLY 9 HA2 GLY 9 3.001 2.500 10.562
64 HA3 GLY 9 HA1 GLY 9 3.947 3.727 9.721
65 H VAL 10 HN VAL 10 2.907 5.402 8.649
66 HA VAL 10 HA VAL 10 1.269 6.945 8.245
67 HB VAL 10 HB VAL 10 -0.813 4.780 8.444
68 HG11 VAL 10 HG11 VAL 10 -0.432 6.997 6.411
69 HG12 VAL 10 HG12 VAL 10 -1.347 7.214 7.903
70 HG13 VAL 10 HG13 VAL 10 -1.885 6.041 6.703
71 HG21 VAL 10 HG21 VAL 10 0.795 3.605 7.175
72 HG22 VAL 10 HG22 VAL 10 1.390 5.070 6.396
73 HG23 VAL 10 HG23 VAL 10 -0.175 4.399 5.938
74 H ALA 11 HN ALA 11 1.444 5.188 11.068
75 HA ALA 11 HA ALA 11 0.484 5.380 13.166
76 HB1 ALA 11 HB1 ALA 11 0.460 7.713 13.977
77 HB2 ALA 11 HB2 ALA 11 0.633 8.282 12.317
78 HB3 ALA 11 HB3 ALA 11 1.929 7.351 13.070
79 H SER 12 HN SER 12 -1.385 5.352 10.721
80 HA SER 12 HA SER 12 -3.810 6.357 12.112
81 HB2 SER 12 HB2 SER 12 -3.283 6.224 9.131
82 HB3 SER 12 HB1 SER 12 -4.784 6.747 9.890
83 HG SER 12 HG SER 12 -3.822 8.546 10.587
84 H LEU 13 HN LEU 13 -2.296 3.660 11.850
85 HA LEU 13 HA LEU 13 -4.717 2.066 11.539
86 HB2 LEU 13 HB2 LEU 13 -2.910 2.297 9.387
87 HB3 LEU 13 HB1 LEU 13 -2.520 0.744 10.115
88 HG LEU 13 HG LEU 13 -5.059 0.272 10.073
89 HD11 LEU 13 HD11 LEU 13 -4.888 2.710 8.288
90 HD12 LEU 13 HD12 LEU 13 -6.000 2.411 9.623
91 HD13 LEU 13 HD13 LEU 13 -6.170 1.514 8.118
92 HD21 LEU 13 HD21 LEU 13 -3.369 -0.761 8.550
93 HD22 LEU 13 HD22 LEU 13 -3.612 0.573 7.423
94 HD23 LEU 13 HD23 LEU 13 -4.934 -0.539 7.771
95 HA PRO 14 HA PRO 14 -1.237 -0.562 13.634
96 HB2 PRO 14 HB2 PRO 14 0.789 1.498 14.364
97 HB3 PRO 14 HB1 PRO 14 1.027 -0.115 13.659
98 HG2 PRO 14 HG2 PRO 14 1.385 2.083 12.203
99 HG3 PRO 14 HG1 PRO 14 0.645 0.630 11.498
100 HD2 PRO 14 HD2 PRO 14 -0.703 3.132 12.493
101 HD3 PRO 14 HD1 PRO 14 -1.002 2.220 10.995
102 H LEU 15 HN LEU 15 -0.954 2.763 14.926
103 HA LEU 15 HA LEU 15 -1.281 2.025 17.631
104 HB2 LEU 15 HB2 LEU 15 -1.668 4.657 16.203
105 HB3 LEU 15 HB1 LEU 15 -1.784 4.485 17.953
106 HG LEU 15 HG LEU 15 0.640 3.646 16.332
107 HD11 LEU 15 HD11 LEU 15 1.690 5.721 17.101
108 HD12 LEU 15 HD12 LEU 15 0.208 6.177 17.944
109 HD13 LEU 15 HD13 LEU 15 0.229 6.090 16.182
110 HD21 LEU 15 HD21 LEU 15 1.627 4.018 18.780
111 HD22 LEU 15 HD22 LEU 15 0.843 2.500 18.360
112 HD23 LEU 15 HD23 LEU 15 -0.044 3.725 19.267
113 H LEU 16 HN LEU 16 -3.584 3.147 15.192
114 HA LEU 16 HA LEU 16 -5.813 3.400 16.900
115 HB2 LEU 16 HB2 LEU 16 -5.479 2.989 13.936
116 HB3 LEU 16 HB1 LEU 16 -7.088 2.941 14.654
117 HG LEU 16 HG LEU 16 -6.658 5.187 15.664
118 HD11 LEU 16 HD11 LEU 16 -4.715 6.464 14.622
119 HD12 LEU 16 HD12 LEU 16 -4.098 4.906 14.074
120 HD13 LEU 16 HD13 LEU 16 -4.264 5.233 15.799
121 HD21 LEU 16 HD21 LEU 16 -7.742 4.799 13.382
122 HD22 LEU 16 HD22 LEU 16 -6.184 5.219 12.675
123 HD23 LEU 16 HD23 LEU 16 -7.061 6.405 13.641
124 H ASN 17 HN ASN 17 -4.561 0.645 15.052
125 HA ASN 17 HA ASN 17 -6.705 -1.116 15.549
126 HB2 ASN 17 HB2 ASN 17 -4.963 -1.519 13.846
127 HB3 ASN 17 HB1 ASN 17 -3.785 -1.782 15.131
128 HD21 ASN 17 HD21 ASN 17 -3.446 -4.045 14.667
129 HD22 ASN 17 HD22 ASN 17 -4.662 -5.206 14.903
130 H VAL 18 HN VAL 18 -3.689 -0.525 17.350
131 HA VAL 18 HA VAL 18 -4.103 -2.549 19.293
132 HB VAL 18 HB VAL 18 -2.526 0.034 19.419
133 HG11 VAL 18 HG11 VAL 18 -2.937 -0.588 21.684
134 HG12 VAL 18 HG12 VAL 18 -1.334 -1.221 21.306
135 HG13 VAL 18 HG13 VAL 18 -2.727 -2.303 21.328
136 HG21 VAL 18 HG21 VAL 18 -0.618 -1.669 19.204
137 HG22 VAL 18 HG22 VAL 18 -1.595 -1.408 17.761
138 HG23 VAL 18 HG23 VAL 18 -1.854 -2.843 18.753
139 H ILE 19 HN ILE 19 -4.823 0.934 19.294
140 HA ILE 19 HA ILE 19 -5.998 0.995 21.876
141 HB ILE 19 HB ILE 19 -6.359 2.799 19.472
142 HG12 ILE 19 HG12 ILE 19 -4.073 2.773 20.361
143 HG13 ILE 19 HG11 ILE 19 -4.847 4.309 20.724
144 HG21 ILE 19 HG21 ILE 19 -7.382 3.014 22.304
145 HG22 ILE 19 HG22 ILE 19 -8.281 3.184 20.797
146 HG23 ILE 19 HG23 ILE 19 -7.147 4.439 21.293
147 HD11 ILE 19 HD11 ILE 19 -5.482 3.047 22.999
148 HD12 ILE 19 HD12 ILE 19 -3.922 3.835 22.790
149 HD13 ILE 19 HD13 ILE 19 -4.061 2.092 22.575
150 H ALA 20 HN ALA 20 -7.331 0.604 18.623
151 HA ALA 20 HA ALA 20 -10.051 0.395 19.558
152 HB1 ALA 20 HB1 ALA 20 -10.638 0.103 17.288
153 HB2 ALA 20 HB2 ALA 20 -9.037 -0.503 16.864
154 HB3 ALA 20 HB3 ALA 20 -9.259 1.203 17.250
155 HN1 NH2 21 H2 NH2 21 -8.329 -3.251 19.531
156 HN2 NH2 21 H1 NH2 21 -7.417 -1.830 19.342
Start of MODEL 30
1 H1 ACE 0 HA2 ACE 0 8.243 -5.395 1.026
2 H2 ACE 0 HA3 ACE 0 6.930 -6.176 1.907
3 H3 ACE 0 HA1 ACE 0 6.960 -4.419 1.742
4 H LEU 1 HN LEU 1 7.194 -3.763 -0.720
5 HA LEU 1 HA LEU 1 5.961 -3.518 -2.655
6 HB2 LEU 1 HB2 LEU 1 6.479 -6.494 -2.615
7 HB3 LEU 1 HB1 LEU 1 5.846 -5.634 -4.014
8 HG LEU 1 HG LEU 1 8.441 -4.880 -2.641
9 HD11 LEU 1 HD11 LEU 1 8.569 -7.190 -3.513
10 HD12 LEU 1 HD12 LEU 1 9.583 -6.095 -4.452
11 HD13 LEU 1 HD13 LEU 1 8.026 -6.621 -5.092
12 HD21 LEU 1 HD21 LEU 1 8.788 -3.951 -5.084
13 HD22 LEU 1 HD22 LEU 1 7.794 -3.039 -3.953
14 HD23 LEU 1 HD23 LEU 1 7.030 -4.048 -5.179
15 H GLY 2 HN GLY 2 4.233 -3.303 -0.643
16 HA2 GLY 2 HA2 GLY 2 1.739 -3.587 -1.503
17 HA3 GLY 2 HA1 GLY 2 2.054 -5.236 -0.969
18 H LEU 3 HN LEU 3 2.928 -5.432 1.284
19 HA LEU 3 HA LEU 3 1.107 -4.287 3.103
20 HB2 LEU 3 HB2 LEU 3 3.706 -5.763 3.533
21 HB3 LEU 3 HB1 LEU 3 2.627 -5.294 4.845
22 HG LEU 3 HG LEU 3 1.797 -6.994 2.474
23 HD11 LEU 3 HD11 LEU 3 3.369 -8.278 3.734
24 HD12 LEU 3 HD12 LEU 3 1.771 -8.832 4.236
25 HD13 LEU 3 HD13 LEU 3 2.689 -7.733 5.267
26 HD21 LEU 3 HD21 LEU 3 0.380 -5.897 4.886
27 HD22 LEU 3 HD22 LEU 3 -0.042 -7.529 4.372
28 HD23 LEU 3 HD23 LEU 3 -0.227 -6.181 3.255
29 H LEU 4 HN LEU 4 4.472 -3.470 2.320
30 HA LEU 4 HA LEU 4 4.869 -1.647 4.424
31 HB2 LEU 4 HB2 LEU 4 6.728 -2.477 3.076
32 HB3 LEU 4 HB1 LEU 4 6.076 -1.683 1.645
33 HG LEU 4 HG LEU 4 6.408 0.517 2.667
34 HD11 LEU 4 HD11 LEU 4 7.134 -1.144 5.077
35 HD12 LEU 4 HD12 LEU 4 6.070 0.260 4.977
36 HD13 LEU 4 HD13 LEU 4 7.816 0.472 4.881
37 HD21 LEU 4 HD21 LEU 4 8.795 0.576 2.566
38 HD22 LEU 4 HD22 LEU 4 8.299 -0.730 1.489
39 HD23 LEU 4 HD23 LEU 4 8.929 -1.101 3.095
40 H SER 5 HN SER 5 3.736 -1.088 1.082
41 HA SER 5 HA SER 5 3.370 1.714 1.399
42 HB2 SER 5 HB2 SER 5 3.533 0.633 -0.812
43 HB3 SER 5 HB1 SER 5 2.007 -0.196 -0.518
44 HG SER 5 HG SER 5 2.435 2.281 -1.428
45 H TYR 6 HN TYR 6 1.188 -1.054 1.645
46 HA TYR 6 HA TYR 6 -1.181 0.376 2.200
47 HB2 TYR 6 HB2 TYR 6 -1.315 -1.906 1.487
48 HB3 TYR 6 HB1 TYR 6 -0.309 -2.449 2.825
49 HD1 TYR 6 HD2 TYR 6 -3.525 -0.641 2.146
50 HD2 TYR 6 HD1 TYR 6 -1.333 -3.223 4.786
51 HE1 TYR 6 HE2 TYR 6 -5.553 -0.934 3.546
52 HE2 TYR 6 HE1 TYR 6 -3.353 -3.518 6.183
53 HH TYR 6 HH TYR 6 -6.316 -1.689 5.538
54 H GLY 7 HN GLY 7 1.245 -1.085 4.333
55 HA2 GLY 7 HA2 GLY 7 -0.100 -0.236 6.740
56 HA3 GLY 7 HA1 GLY 7 1.479 -1.007 6.640
57 H ALA 8 HN ALA 8 1.436 1.531 4.488
58 HA ALA 8 HA ALA 8 3.346 3.051 5.887
59 HB1 ALA 8 HB1 ALA 8 1.518 3.985 3.664
60 HB2 ALA 8 HB2 ALA 8 3.028 3.108 3.420
61 HB3 ALA 8 HB3 ALA 8 3.050 4.718 4.140
62 H GLY 9 HN GLY 9 -0.159 3.403 5.560
63 HA2 GLY 9 HA2 GLY 9 -0.130 5.661 7.480
64 HA3 GLY 9 HA1 GLY 9 -1.439 5.283 6.364
65 H VAL 10 HN VAL 10 -1.939 2.679 6.722
66 HA VAL 10 HA VAL 10 -3.432 2.594 9.114
67 HB VAL 10 HB VAL 10 -2.560 0.341 7.289
68 HG11 VAL 10 HG11 VAL 10 -4.545 0.501 9.554
69 HG12 VAL 10 HG12 VAL 10 -3.238 -0.661 9.333
70 HG13 VAL 10 HG13 VAL 10 -4.664 -0.728 8.297
71 HG21 VAL 10 HG21 VAL 10 -5.174 1.877 7.434
72 HG22 VAL 10 HG22 VAL 10 -4.742 0.640 6.253
73 HG23 VAL 10 HG23 VAL 10 -3.906 2.192 6.248
74 H ALA 11 HN ALA 11 -0.353 1.079 8.204
75 HA ALA 11 HA ALA 11 1.332 0.165 9.458
76 HB1 ALA 11 HB1 ALA 11 0.172 1.713 11.779
77 HB2 ALA 11 HB2 ALA 11 1.169 2.451 10.528
78 HB3 ALA 11 HB3 ALA 11 1.840 1.187 11.558
79 H SER 12 HN SER 12 -1.320 -1.143 9.300
80 HA SER 12 HA SER 12 -2.214 -3.119 10.052
81 HB2 SER 12 HB2 SER 12 0.448 -3.306 10.704
82 HB3 SER 12 HB1 SER 12 -0.317 -3.580 12.263
83 HG SER 12 HG SER 12 -0.021 -5.322 10.400
84 H LEU 13 HN LEU 13 -2.749 -0.419 11.317
85 HA LEU 13 HA LEU 13 -3.939 0.453 13.095
86 HB2 LEU 13 HB2 LEU 13 -5.027 -2.256 12.514
87 HB3 LEU 13 HB1 LEU 13 -5.544 -1.550 14.041
88 HG LEU 13 HG LEU 13 -5.677 0.111 11.530
89 HD11 LEU 13 HD11 LEU 13 -6.798 -2.024 10.975
90 HD12 LEU 13 HD12 LEU 13 -7.962 -0.707 11.122
91 HD13 LEU 13 HD13 LEU 13 -7.784 -1.878 12.429
92 HD21 LEU 13 HD21 LEU 13 -7.579 -0.003 13.877
93 HD22 LEU 13 HD22 LEU 13 -7.342 1.314 12.727
94 HD23 LEU 13 HD23 LEU 13 -6.100 0.956 13.926
95 HA PRO 14 HA PRO 14 -1.381 -1.533 16.389
96 HB2 PRO 14 HB2 PRO 14 0.761 0.127 16.443
97 HB3 PRO 14 HB1 PRO 14 0.619 -1.192 15.264
98 HG2 PRO 14 HG2 PRO 14 0.375 1.718 14.843
99 HG3 PRO 14 HG1 PRO 14 0.752 0.441 13.679
100 HD2 PRO 14 HD2 PRO 14 -1.827 1.708 14.161
101 HD3 PRO 14 HD1 PRO 14 -1.419 0.484 12.944
102 H LEU 15 HN LEU 15 -0.534 1.886 16.382
103 HA LEU 15 HA LEU 15 -1.216 2.315 19.084
104 HB2 LEU 15 HB2 LEU 15 -0.748 4.252 16.810
105 HB3 LEU 15 HB1 LEU 15 -0.939 4.743 18.491
106 HG LEU 15 HG LEU 15 1.162 2.786 17.513
107 HD11 LEU 15 HD11 LEU 15 1.383 5.737 18.178
108 HD12 LEU 15 HD12 LEU 15 1.561 5.015 16.580
109 HD13 LEU 15 HD13 LEU 15 2.746 4.671 17.841
110 HD21 LEU 15 HD21 LEU 15 0.983 2.322 19.786
111 HD22 LEU 15 HD22 LEU 15 0.432 3.947 20.194
112 HD23 LEU 15 HD23 LEU 15 2.135 3.651 19.848
113 H LEU 16 HN LEU 16 -2.936 2.968 16.071
114 HA LEU 16 HA LEU 16 -5.066 4.463 17.134
115 HB2 LEU 16 HB2 LEU 16 -4.766 2.704 14.710
116 HB3 LEU 16 HB1 LEU 16 -6.294 3.502 15.065
117 HG LEU 16 HG LEU 16 -3.686 5.035 14.944
118 HD11 LEU 16 HD11 LEU 16 -4.366 5.629 12.600
119 HD12 LEU 16 HD12 LEU 16 -5.613 4.386 12.696
120 HD13 LEU 16 HD13 LEU 16 -3.911 3.937 12.794
121 HD21 LEU 16 HD21 LEU 16 -5.397 6.858 14.246
122 HD22 LEU 16 HD22 LEU 16 -5.393 6.370 15.934
123 HD23 LEU 16 HD23 LEU 16 -6.631 5.752 14.842
124 H ASN 17 HN ASN 17 -4.630 0.983 16.688
125 HA ASN 17 HA ASN 17 -7.212 0.172 17.476
126 HB2 ASN 17 HB2 ASN 17 -5.598 -1.328 16.370
127 HB3 ASN 17 HB1 ASN 17 -4.594 -1.304 17.819
128 HD21 ASN 17 HD21 ASN 17 -4.875 -3.486 18.495
129 HD22 ASN 17 HD22 ASN 17 -6.384 -4.139 18.916
130 H VAL 18 HN VAL 18 -4.253 0.757 19.336
131 HA VAL 18 HA VAL 18 -5.229 -0.136 21.839
132 HB VAL 18 HB VAL 18 -3.099 1.907 21.158
133 HG11 VAL 18 HG11 VAL 18 -2.325 1.320 23.529
134 HG12 VAL 18 HG12 VAL 18 -3.932 0.637 23.774
135 HG13 VAL 18 HG13 VAL 18 -3.749 2.353 23.411
136 HG21 VAL 18 HG21 VAL 18 -2.861 -0.977 22.069
137 HG22 VAL 18 HG22 VAL 18 -1.556 0.076 21.521
138 HG23 VAL 18 HG23 VAL 18 -2.782 -0.476 20.380
139 H ILE 19 HN ILE 19 -5.138 3.068 20.316
140 HA ILE 19 HA ILE 19 -6.340 4.489 22.448
141 HB ILE 19 HB ILE 19 -6.239 5.041 19.472
142 HG12 ILE 19 HG12 ILE 19 -4.721 6.324 21.757
143 HG13 ILE 19 HG11 ILE 19 -4.095 4.957 20.836
144 HG21 ILE 19 HG21 ILE 19 -7.235 6.715 21.789
145 HG22 ILE 19 HG22 ILE 19 -8.099 6.297 20.310
146 HG23 ILE 19 HG23 ILE 19 -6.740 7.420 20.252
147 HD11 ILE 19 HD11 ILE 19 -4.074 6.214 18.802
148 HD12 ILE 19 HD12 ILE 19 -3.360 7.264 20.026
149 HD13 ILE 19 HD13 ILE 19 -5.030 7.513 19.515
150 H ALA 20 HN ALA 20 -7.649 2.918 19.557
151 HA ALA 20 HA ALA 20 -10.356 3.675 20.000
152 HB1 ALA 20 HB1 ALA 20 -9.202 1.351 18.439
153 HB2 ALA 20 HB2 ALA 20 -9.583 2.951 17.800
154 HB3 ALA 20 HB3 ALA 20 -10.878 1.894 18.361
155 HN1 NH2 21 H2 NH2 21 -9.880 -0.034 21.720
156 HN2 NH2 21 H1 NH2 21 -8.818 0.441 20.484
Start of MODEL 31
1 H1 ACE 0 HA2 ACE 0 -1.584 -6.847 -0.439
2 H2 ACE 0 HA3 ACE 0 -2.176 -6.895 -2.099
3 H3 ACE 0 HA1 ACE 0 -1.832 -5.345 -1.330
4 H LEU 1 HN LEU 1 0.423 -7.654 -0.412
5 HA LEU 1 HA LEU 1 2.723 -7.648 -0.731
6 HB2 LEU 1 HB2 LEU 1 1.638 -8.139 -3.509
7 HB3 LEU 1 HB1 LEU 1 3.312 -8.419 -3.037
8 HG LEU 1 HG LEU 1 0.942 -9.695 -1.646
9 HD11 LEU 1 HD11 LEU 1 2.639 -10.635 -3.964
10 HD12 LEU 1 HD12 LEU 1 0.880 -10.601 -3.835
11 HD13 LEU 1 HD13 LEU 1 1.810 -11.778 -2.907
12 HD21 LEU 1 HD21 LEU 1 3.940 -9.942 -1.416
13 HD22 LEU 1 HD22 LEU 1 2.933 -11.347 -1.069
14 HD23 LEU 1 HD23 LEU 1 2.724 -9.868 -0.142
15 H GLY 2 HN GLY 2 1.449 -4.985 -0.938
16 HA2 GLY 2 HA2 GLY 2 3.713 -3.576 -2.027
17 HA3 GLY 2 HA1 GLY 2 2.249 -3.356 -2.980
18 H LEU 3 HN LEU 3 0.449 -3.521 -0.703
19 HA LEU 3 HA LEU 3 0.653 -0.766 0.185
20 HB2 LEU 3 HB2 LEU 3 -1.397 -2.899 0.828
21 HB3 LEU 3 HB1 LEU 3 -1.544 -1.183 1.202
22 HG LEU 3 HG LEU 3 -1.255 -2.328 -1.592
23 HD11 LEU 3 HD11 LEU 3 -3.680 -1.179 -0.176
24 HD12 LEU 3 HD12 LEU 3 -3.422 -2.888 -0.524
25 HD13 LEU 3 HD13 LEU 3 -3.630 -1.741 -1.847
26 HD21 LEU 3 HD21 LEU 3 -2.144 0.111 -2.069
27 HD22 LEU 3 HD22 LEU 3 -0.432 -0.135 -1.748
28 HD23 LEU 3 HD23 LEU 3 -1.490 0.464 -0.470
29 H LEU 4 HN LEU 4 1.780 -3.737 1.278
30 HA LEU 4 HA LEU 4 1.443 -3.511 4.072
31 HB2 LEU 4 HB2 LEU 4 3.386 -4.974 2.300
32 HB3 LEU 4 HB1 LEU 4 3.605 -4.988 4.047
33 HG LEU 4 HG LEU 4 2.269 -6.933 3.122
34 HD11 LEU 4 HD11 LEU 4 0.946 -7.072 5.014
35 HD12 LEU 4 HD12 LEU 4 0.415 -5.396 4.919
36 HD13 LEU 4 HD13 LEU 4 2.028 -5.779 5.519
37 HD21 LEU 4 HD21 LEU 4 0.048 -6.576 2.298
38 HD22 LEU 4 HD22 LEU 4 1.083 -5.451 1.420
39 HD23 LEU 4 HD23 LEU 4 0.081 -4.872 2.749
40 H SER 5 HN SER 5 4.008 -2.357 1.900
41 HA SER 5 HA SER 5 5.767 -1.419 3.884
42 HB2 SER 5 HB2 SER 5 5.302 -0.505 1.043
43 HB3 SER 5 HB1 SER 5 6.607 0.107 2.055
44 HG SER 5 HG SER 5 7.024 -2.283 2.369
45 H TYR 6 HN TYR 6 3.135 0.239 2.151
46 HA TYR 6 HA TYR 6 3.497 2.751 3.422
47 HB2 TYR 6 HB2 TYR 6 1.093 1.495 2.083
48 HB3 TYR 6 HB1 TYR 6 1.120 3.157 2.676
49 HD1 TYR 6 HD1 TYR 6 2.655 4.829 1.679
50 HD2 TYR 6 HD2 TYR 6 2.341 0.846 0.113
51 HE1 TYR 6 HE1 TYR 6 3.799 5.554 -0.402
52 HE2 TYR 6 HE2 TYR 6 3.483 1.566 -1.964
53 HH TYR 6 HH TYR 6 4.549 4.944 -2.395
54 H GLY 7 HN GLY 7 1.455 -0.051 4.144
55 HA2 GLY 7 HA2 GLY 7 0.557 1.189 6.666
56 HA3 GLY 7 HA1 GLY 7 -0.124 -0.252 5.915
57 H ALA 8 HN ALA 8 3.316 0.264 6.245
58 HA ALA 8 HA ALA 8 3.809 -2.242 7.420
59 HB1 ALA 8 HB1 ALA 8 5.626 -1.223 6.305
60 HB2 ALA 8 HB2 ALA 8 6.066 -1.152 8.011
61 HB3 ALA 8 HB3 ALA 8 5.439 0.284 7.201
62 H GLY 9 HN GLY 9 3.302 0.954 8.847
63 HA2 GLY 9 HA2 GLY 9 2.246 0.111 11.247
64 HA3 GLY 9 HA1 GLY 9 3.984 0.155 11.513
65 H VAL 10 HN VAL 10 2.316 2.357 9.337
66 HA VAL 10 HA VAL 10 3.270 4.628 10.920
67 HB VAL 10 HB VAL 10 1.876 4.495 8.234
68 HG11 VAL 10 HG11 VAL 10 3.040 6.775 9.847
69 HG12 VAL 10 HG12 VAL 10 1.415 6.640 9.173
70 HG13 VAL 10 HG13 VAL 10 2.794 6.882 8.103
71 HG21 VAL 10 HG21 VAL 10 4.773 4.872 9.053
72 HG22 VAL 10 HG22 VAL 10 4.171 5.137 7.417
73 HG23 VAL 10 HG23 VAL 10 4.100 3.527 8.130
74 H ALA 11 HN ALA 11 0.260 4.297 9.094
75 HA ALA 11 HA ALA 11 -1.238 5.433 11.377
76 HB1 ALA 11 HB1 ALA 11 -2.023 5.133 8.467
77 HB2 ALA 11 HB2 ALA 11 -1.435 6.615 9.224
78 HB3 ALA 11 HB3 ALA 11 -2.980 5.924 9.721
79 H SER 12 HN SER 12 -0.544 2.518 9.900
80 HA SER 12 HA SER 12 -3.134 1.260 10.297
81 HB2 SER 12 HB2 SER 12 -0.449 0.210 9.399
82 HB3 SER 12 HB1 SER 12 -1.875 -0.806 9.595
83 HG SER 12 HG SER 12 -2.268 -0.170 7.623
84 H LEU 13 HN LEU 13 -1.043 2.292 12.493
85 HA LEU 13 HA LEU 13 -1.488 -0.043 14.250
86 HB2 LEU 13 HB2 LEU 13 1.049 1.030 13.390
87 HB3 LEU 13 HB1 LEU 13 0.900 1.274 15.127
88 HG LEU 13 HG LEU 13 1.966 -0.874 14.653
89 HD11 LEU 13 HD11 LEU 13 0.847 -2.045 16.273
90 HD12 LEU 13 HD12 LEU 13 -0.736 -1.792 15.545
91 HD13 LEU 13 HD13 LEU 13 0.022 -0.504 16.480
92 HD21 LEU 13 HD21 LEU 13 0.550 -1.043 12.396
93 HD22 LEU 13 HD22 LEU 13 -0.535 -1.987 13.416
94 HD23 LEU 13 HD23 LEU 13 1.140 -2.488 13.212
95 HA PRO 14 HA PRO 14 -1.305 3.923 17.072
96 HB2 PRO 14 HB2 PRO 14 -1.941 6.010 15.019
97 HB3 PRO 14 HB1 PRO 14 -0.869 6.107 16.431
98 HG2 PRO 14 HG2 PRO 14 0.131 5.905 13.985
99 HG3 PRO 14 HG1 PRO 14 0.871 5.036 15.345
100 HD2 PRO 14 HD2 PRO 14 -0.907 3.966 13.170
101 HD3 PRO 14 HD1 PRO 14 0.524 3.229 13.919
102 H LEU 15 HN LEU 15 -3.404 4.286 14.201
103 HA LEU 15 HA LEU 15 -5.718 5.078 15.621
104 HB2 LEU 15 HB2 LEU 15 -5.375 3.769 12.917
105 HB3 LEU 15 HB1 LEU 15 -6.918 4.363 13.521
106 HG LEU 15 HG LEU 15 -4.436 6.089 13.300
107 HD11 LEU 15 HD11 LEU 15 -6.713 5.646 11.356
108 HD12 LEU 15 HD12 LEU 15 -4.985 5.435 11.062
109 HD13 LEU 15 HD13 LEU 15 -5.650 7.053 11.287
110 HD21 LEU 15 HD21 LEU 15 -7.326 6.577 14.020
111 HD22 LEU 15 HD22 LEU 15 -6.410 7.860 13.234
112 HD23 LEU 15 HD23 LEU 15 -5.866 7.211 14.777
113 H LEU 16 HN LEU 16 -4.588 1.916 14.493
114 HA LEU 16 HA LEU 16 -6.863 0.462 15.376
115 HB2 LEU 16 HB2 LEU 16 -4.056 -0.618 15.075
116 HB3 LEU 16 HB1 LEU 16 -5.570 -1.511 14.953
117 HG LEU 16 HG LEU 16 -4.490 0.567 13.035
118 HD11 LEU 16 HD11 LEU 16 -5.468 -2.221 12.418
119 HD12 LEU 16 HD12 LEU 16 -3.818 -1.937 12.965
120 HD13 LEU 16 HD13 LEU 16 -4.389 -1.197 11.470
121 HD21 LEU 16 HD21 LEU 16 -6.799 1.103 13.132
122 HD22 LEU 16 HD22 LEU 16 -7.270 -0.589 13.306
123 HD23 LEU 16 HD23 LEU 16 -6.668 0.006 11.759
124 H ASN 17 HN ASN 17 -3.811 1.364 16.887
125 HA ASN 17 HA ASN 17 -3.990 -0.259 19.175
126 HB2 ASN 17 HB2 ASN 17 -2.672 2.415 18.696
127 HB3 ASN 17 HB1 ASN 17 -2.513 1.529 20.212
128 HD21 ASN 17 HD21 ASN 17 -0.241 2.044 18.540
129 HD22 ASN 17 HD22 ASN 17 0.302 0.566 17.912
130 H VAL 18 HN VAL 18 -5.236 2.996 18.511
131 HA VAL 18 HA VAL 18 -6.224 3.508 21.119
132 HB VAL 18 HB VAL 18 -7.103 4.580 18.426
133 HG11 VAL 18 HG11 VAL 18 -8.925 4.916 19.963
134 HG12 VAL 18 HG12 VAL 18 -8.057 6.447 19.861
135 HG13 VAL 18 HG13 VAL 18 -7.822 5.392 21.254
136 HG21 VAL 18 HG21 VAL 18 -5.448 5.897 20.594
137 HG22 VAL 18 HG22 VAL 18 -5.686 6.450 18.937
138 HG23 VAL 18 HG23 VAL 18 -4.726 5.005 19.256
139 H ILE 19 HN ILE 19 -7.709 2.139 18.207
140 HA ILE 19 HA ILE 19 -10.307 1.780 19.270
141 HB ILE 19 HB ILE 19 -8.824 0.327 17.063
142 HG12 ILE 19 HG12 ILE 19 -11.024 2.403 16.909
143 HG13 ILE 19 HG11 ILE 19 -9.309 2.813 16.853
144 HG21 ILE 19 HG21 ILE 19 -11.724 0.218 17.935
145 HG22 ILE 19 HG22 ILE 19 -10.598 -1.132 17.797
146 HG23 ILE 19 HG23 ILE 19 -11.174 -0.312 16.347
147 HD11 ILE 19 HD11 ILE 19 -10.346 2.553 14.579
148 HD12 ILE 19 HD12 ILE 19 -10.646 0.859 14.963
149 HD13 ILE 19 HD13 ILE 19 -8.992 1.460 14.864
150 H ALA 20 HN ALA 20 -7.459 -0.314 19.104
151 HA ALA 20 HA ALA 20 -8.790 -2.457 20.567
152 HB1 ALA 20 HB1 ALA 20 -7.231 -3.081 18.813
153 HB2 ALA 20 HB2 ALA 20 -6.574 -3.583 20.371
154 HB3 ALA 20 HB3 ALA 20 -5.947 -2.140 19.573
155 HN1 NH2 21 H2 NH2 21 -6.839 -0.027 23.055
156 HN2 NH2 21 H1 NH2 21 -7.344 0.432 21.501
Start of MODEL 32
1 H1 ACE 0 HA2 ACE 0 3.809 -7.989 -0.038
2 H2 ACE 0 HA3 ACE 0 4.785 -6.592 -0.489
3 H3 ACE 0 HA1 ACE 0 5.038 -8.141 -1.293
4 H LEU 1 HN LEU 1 2.063 -6.365 -0.493
5 HA LEU 1 HA LEU 1 1.043 -6.797 -3.187
6 HB2 LEU 1 HB2 LEU 1 -0.150 -5.524 -0.721
7 HB3 LEU 1 HB1 LEU 1 -1.011 -5.706 -2.246
8 HG LEU 1 HG LEU 1 0.231 -8.032 -0.748
9 HD11 LEU 1 HD11 LEU 1 -2.687 -7.211 -0.767
10 HD12 LEU 1 HD12 LEU 1 -1.582 -6.846 0.558
11 HD13 LEU 1 HD13 LEU 1 -1.954 -8.522 0.157
12 HD21 LEU 1 HD21 LEU 1 -1.579 -7.754 -3.152
13 HD22 LEU 1 HD22 LEU 1 -1.622 -9.221 -2.179
14 HD23 LEU 1 HD23 LEU 1 -0.128 -8.737 -2.970
15 H GLY 2 HN GLY 2 2.988 -4.538 -1.747
16 HA2 GLY 2 HA2 GLY 2 3.865 -2.690 -3.009
17 HA3 GLY 2 HA1 GLY 2 2.288 -2.494 -3.768
18 H LEU 3 HN LEU 3 1.013 -2.938 -1.072
19 HA LEU 3 HA LEU 3 1.129 -0.143 -0.196
20 HB2 LEU 3 HB2 LEU 3 -0.710 -2.432 0.543
21 HB3 LEU 3 HB1 LEU 3 -0.844 -0.798 1.190
22 HG LEU 3 HG LEU 3 -0.928 -1.464 -1.768
23 HD11 LEU 3 HD11 LEU 3 -2.844 -2.448 -0.536
24 HD12 LEU 3 HD12 LEU 3 -3.354 -1.140 -1.605
25 HD13 LEU 3 HD13 LEU 3 -3.216 -0.858 0.130
26 HD21 LEU 3 HD21 LEU 3 -2.125 0.909 -1.635
27 HD22 LEU 3 HD22 LEU 3 -0.369 0.802 -1.679
28 HD23 LEU 3 HD23 LEU 3 -1.197 1.062 -0.144
29 H LEU 4 HN LEU 4 2.722 -2.960 0.541
30 HA LEU 4 HA LEU 4 2.712 -2.982 3.360
31 HB2 LEU 4 HB2 LEU 4 3.586 -4.864 2.076
32 HB3 LEU 4 HB1 LEU 4 4.861 -3.849 1.406
33 HG LEU 4 HG LEU 4 5.839 -3.553 3.633
34 HD11 LEU 4 HD11 LEU 4 4.811 -5.115 5.472
35 HD12 LEU 4 HD12 LEU 4 3.348 -5.017 4.493
36 HD13 LEU 4 HD13 LEU 4 4.061 -3.553 5.166
37 HD21 LEU 4 HD21 LEU 4 5.190 -6.423 2.903
38 HD22 LEU 4 HD22 LEU 4 6.414 -5.966 4.088
39 HD23 LEU 4 HD23 LEU 4 6.600 -5.492 2.400
40 H SER 5 HN SER 5 4.822 -1.353 1.017
41 HA SER 5 HA SER 5 6.446 -0.098 3.022
42 HB2 SER 5 HB2 SER 5 7.290 -0.512 0.741
43 HB3 SER 5 HB1 SER 5 6.086 0.602 0.097
44 HG SER 5 HG SER 5 7.975 1.739 0.398
45 H TYR 6 HN TYR 6 3.547 0.715 1.252
46 HA TYR 6 HA TYR 6 3.423 3.470 1.703
47 HB2 TYR 6 HB2 TYR 6 1.906 2.272 0.187
48 HB3 TYR 6 HB1 TYR 6 1.156 1.467 1.565
49 HD1 TYR 6 HD1 TYR 6 1.990 4.908 0.325
50 HD2 TYR 6 HD2 TYR 6 -0.731 2.443 2.556
51 HE1 TYR 6 HE1 TYR 6 0.475 6.846 0.620
52 HE2 TYR 6 HE2 TYR 6 -2.244 4.385 2.852
53 HH TYR 6 HH TYR 6 -2.107 7.114 1.055
54 H GLY 7 HN GLY 7 3.704 1.163 4.021
55 HA2 GLY 7 HA2 GLY 7 3.632 1.395 6.329
56 HA3 GLY 7 HA1 GLY 7 2.864 2.966 6.116
57 H ALA 8 HN ALA 8 1.663 0.061 4.582
58 HA ALA 8 HA ALA 8 -0.879 0.372 5.999
59 HB1 ALA 8 HB1 ALA 8 -1.816 -1.032 4.337
60 HB2 ALA 8 HB2 ALA 8 -0.238 -1.660 3.864
61 HB3 ALA 8 HB3 ALA 8 -0.675 0.005 3.478
62 H GLY 9 HN GLY 9 0.913 -0.396 7.830
63 HA2 GLY 9 HA2 GLY 9 -0.118 -2.584 9.093
64 HA3 GLY 9 HA1 GLY 9 1.136 -3.261 8.059
65 H VAL 10 HN VAL 10 1.135 -0.124 9.701
66 HA VAL 10 HA VAL 10 3.135 -1.057 11.635
67 HB VAL 10 HB VAL 10 4.519 1.043 11.021
68 HG11 VAL 10 HG11 VAL 10 5.763 -0.228 9.295
69 HG12 VAL 10 HG12 VAL 10 4.402 -1.339 9.149
70 HG13 VAL 10 HG13 VAL 10 5.310 -1.251 10.657
71 HG21 VAL 10 HG21 VAL 10 2.953 0.637 8.451
72 HG22 VAL 10 HG22 VAL 10 4.386 1.649 8.614
73 HG23 VAL 10 HG23 VAL 10 2.913 2.070 9.478
74 H ALA 11 HN ALA 11 1.399 1.804 10.391
75 HA ALA 11 HA ALA 11 1.204 2.878 13.126
76 HB1 ALA 11 HB1 ALA 11 0.558 4.079 10.423
77 HB2 ALA 11 HB2 ALA 11 1.956 4.448 11.434
78 HB3 ALA 11 HB3 ALA 11 0.338 4.908 11.966
79 H SER 12 HN SER 12 -0.522 0.983 10.964
80 HA SER 12 HA SER 12 -3.177 1.926 11.646
81 HB2 SER 12 HB2 SER 12 -2.069 -0.308 9.977
82 HB3 SER 12 HB1 SER 12 -3.773 -0.311 10.426
83 HG SER 12 HG SER 12 -3.274 0.790 8.426
84 H LEU 13 HN LEU 13 -0.883 0.062 13.222
85 HA LEU 13 HA LEU 13 -2.840 -1.684 14.543
86 HB2 LEU 13 HB2 LEU 13 0.101 -1.690 14.161
87 HB3 LEU 13 HB1 LEU 13 -0.436 -2.270 15.737
88 HG LEU 13 HG LEU 13 -1.989 -3.849 14.569
89 HD11 LEU 13 HD11 LEU 13 -0.586 -2.736 12.123
90 HD12 LEU 13 HD12 LEU 13 -2.313 -2.670 12.475
91 HD13 LEU 13 HD13 LEU 13 -1.544 -4.217 12.117
92 HD21 LEU 13 HD21 LEU 13 0.915 -4.053 13.709
93 HD22 LEU 13 HD22 LEU 13 -0.230 -5.391 13.814
94 HD23 LEU 13 HD23 LEU 13 0.285 -4.553 15.278
95 HA PRO 14 HA PRO 14 -1.091 0.507 18.461
96 HB2 PRO 14 HB2 PRO 14 0.390 2.823 18.014
97 HB3 PRO 14 HB1 PRO 14 1.088 1.217 18.295
98 HG2 PRO 14 HG2 PRO 14 0.586 2.627 15.709
99 HG3 PRO 14 HG1 PRO 14 1.999 1.684 16.221
100 HD2 PRO 14 HD2 PRO 14 0.165 0.610 14.584
101 HD3 PRO 14 HD1 PRO 14 0.928 -0.370 15.858
102 H LEU 15 HN LEU 15 -1.724 2.775 15.759
103 HA LEU 15 HA LEU 15 -3.104 4.696 17.306
104 HB2 LEU 15 HB2 LEU 15 -3.299 4.019 14.365
105 HB3 LEU 15 HB1 LEU 15 -4.093 5.406 15.104
106 HG LEU 15 HG LEU 15 -1.104 4.889 15.210
107 HD11 LEU 15 HD11 LEU 15 -2.571 6.954 13.550
108 HD12 LEU 15 HD12 LEU 15 -2.079 5.388 12.908
109 HD13 LEU 15 HD13 LEU 15 -0.861 6.530 13.475
110 HD21 LEU 15 HD21 LEU 15 -1.512 6.308 17.025
111 HD22 LEU 15 HD22 LEU 15 -2.916 7.054 16.264
112 HD23 LEU 15 HD23 LEU 15 -1.291 7.492 15.741
113 H LEU 16 HN LEU 16 -4.225 1.862 15.514
114 HA LEU 16 HA LEU 16 -6.991 2.259 15.962
115 HB2 LEU 16 HB2 LEU 16 -5.276 -0.095 15.224
116 HB3 LEU 16 HB1 LEU 16 -6.974 -0.350 15.611
117 HG LEU 16 HG LEU 16 -6.443 0.004 13.142
118 HD11 LEU 16 HD11 LEU 16 -8.703 0.531 14.397
119 HD12 LEU 16 HD12 LEU 16 -8.476 1.059 12.733
120 HD13 LEU 16 HD13 LEU 16 -8.279 2.209 14.053
121 HD21 LEU 16 HD21 LEU 16 -4.767 1.882 13.716
122 HD22 LEU 16 HD22 LEU 16 -6.181 2.921 13.882
123 HD23 LEU 16 HD23 LEU 16 -5.831 2.147 12.338
124 H ASN 17 HN ASN 17 -4.463 0.592 17.769
125 HA ASN 17 HA ASN 17 -6.096 -0.640 19.702
126 HB2 ASN 17 HB2 ASN 17 -3.218 0.260 19.692
127 HB3 ASN 17 HB1 ASN 17 -3.939 -0.481 21.120
128 HD21 ASN 17 HD21 ASN 17 -5.648 -2.386 19.760
129 HD22 ASN 17 HD22 ASN 17 -4.644 -3.528 19.009
130 H VAL 18 HN VAL 18 -4.616 2.585 19.595
131 HA VAL 18 HA VAL 18 -5.307 3.380 22.216
132 HB VAL 18 HB VAL 18 -4.913 5.016 19.698
133 HG11 VAL 18 HG11 VAL 18 -5.362 5.810 22.578
134 HG12 VAL 18 HG12 VAL 18 -6.163 6.427 21.134
135 HG13 VAL 18 HG13 VAL 18 -4.486 6.860 21.464
136 HG21 VAL 18 HG21 VAL 18 -2.993 3.620 20.680
137 HG22 VAL 18 HG22 VAL 18 -3.071 4.694 22.077
138 HG23 VAL 18 HG23 VAL 18 -2.686 5.345 20.484
139 H ILE 19 HN ILE 19 -6.996 3.742 19.109
140 HA ILE 19 HA ILE 19 -9.241 5.132 20.131
141 HB ILE 19 HB ILE 19 -8.929 3.358 17.693
142 HG12 ILE 19 HG12 ILE 19 -9.093 6.375 17.950
143 HG13 ILE 19 HG11 ILE 19 -7.575 5.484 17.857
144 HG21 ILE 19 HG21 ILE 19 -11.283 3.414 18.220
145 HG22 ILE 19 HG22 ILE 19 -11.021 4.585 16.930
146 HG23 ILE 19 HG23 ILE 19 -11.214 5.137 18.592
147 HD11 ILE 19 HD11 ILE 19 -8.374 6.374 15.639
148 HD12 ILE 19 HD12 ILE 19 -9.761 5.296 15.768
149 HD13 ILE 19 HD13 ILE 19 -8.133 4.628 15.665
150 H ALA 20 HN ALA 20 -8.559 1.700 19.604
151 HA ALA 20 HA ALA 20 -11.042 0.618 20.262
152 HB1 ALA 20 HB1 ALA 20 -8.400 -0.615 21.051
153 HB2 ALA 20 HB2 ALA 20 -8.980 -0.592 19.385
154 HB3 ALA 20 HB3 ALA 20 -9.900 -1.439 20.628
155 HN1 NH2 21 H2 NH2 21 -9.501 1.765 23.836
156 HN2 NH2 21 H1 NH2 21 -8.691 2.117 22.387
Start of MODEL 33
1 H1 ACE 0 HA2 ACE 0 5.606 -2.449 -0.997
2 H2 ACE 0 HA3 ACE 0 4.427 -3.186 -2.082
3 H3 ACE 0 HA1 ACE 0 6.070 -2.879 -2.644
4 H LEU 1 HN LEU 1 6.962 -3.746 0.173
5 HA LEU 1 HA LEU 1 7.668 -6.402 -0.477
6 HB2 LEU 1 HB2 LEU 1 7.655 -4.922 2.160
7 HB3 LEU 1 HB1 LEU 1 8.343 -6.529 1.952
8 HG LEU 1 HG LEU 1 9.180 -4.148 0.275
9 HD11 LEU 1 HD11 LEU 1 9.698 -3.603 2.574
10 HD12 LEU 1 HD12 LEU 1 11.195 -4.100 1.785
11 HD13 LEU 1 HD13 LEU 1 10.351 -5.216 2.858
12 HD21 LEU 1 HD21 LEU 1 9.909 -6.093 -0.839
13 HD22 LEU 1 HD22 LEU 1 10.193 -6.970 0.663
14 HD23 LEU 1 HD23 LEU 1 11.302 -5.697 0.162
15 H GLY 2 HN GLY 2 5.132 -5.065 1.605
16 HA2 GLY 2 HA2 GLY 2 3.461 -7.366 1.215
17 HA3 GLY 2 HA1 GLY 2 4.142 -7.306 2.838
18 H LEU 3 HN LEU 3 2.600 -5.075 0.509
19 HA LEU 3 HA LEU 3 1.099 -3.352 0.832
20 HB2 LEU 3 HB2 LEU 3 0.094 -5.363 2.857
21 HB3 LEU 3 HB1 LEU 3 -0.800 -3.929 2.362
22 HG LEU 3 HG LEU 3 0.173 -6.062 0.436
23 HD11 LEU 3 HD11 LEU 3 -2.332 -6.632 0.383
24 HD12 LEU 3 HD12 LEU 3 -2.456 -5.718 1.886
25 HD13 LEU 3 HD13 LEU 3 -1.432 -7.152 1.808
26 HD21 LEU 3 HD21 LEU 3 -0.215 -4.163 -0.878
27 HD22 LEU 3 HD22 LEU 3 -1.484 -3.552 0.183
28 HD23 LEU 3 HD23 LEU 3 -1.810 -4.906 -0.895
29 H LEU 4 HN LEU 4 3.510 -3.852 2.874
30 HA LEU 4 HA LEU 4 2.765 -2.539 5.262
31 HB2 LEU 4 HB2 LEU 4 4.829 -3.853 5.082
32 HB3 LEU 4 HB1 LEU 4 5.470 -2.709 3.905
33 HG LEU 4 HG LEU 4 5.446 -0.922 5.587
34 HD11 LEU 4 HD11 LEU 4 4.074 -3.040 7.234
35 HD12 LEU 4 HD12 LEU 4 3.658 -1.338 7.040
36 HD13 LEU 4 HD13 LEU 4 5.034 -1.798 8.038
37 HD21 LEU 4 HD21 LEU 4 7.202 -1.825 7.059
38 HD22 LEU 4 HD22 LEU 4 7.427 -2.398 5.405
39 HD23 LEU 4 HD23 LEU 4 6.733 -3.469 6.622
40 H SER 5 HN SER 5 4.157 -1.371 2.224
41 HA SER 5 HA SER 5 4.312 1.368 3.035
42 HB2 SER 5 HB2 SER 5 4.693 1.790 0.620
43 HB3 SER 5 HB1 SER 5 5.737 0.520 1.252
44 HG SER 5 HG SER 5 4.881 -0.322 -0.571
45 H TYR 6 HN TYR 6 1.782 -0.669 1.932
46 HA TYR 6 HA TYR 6 0.112 1.166 0.610
47 HB2 TYR 6 HB2 TYR 6 -0.172 -1.364 0.778
48 HB3 TYR 6 HB1 TYR 6 -0.856 -1.082 2.378
49 HD1 TYR 6 HD1 TYR 6 -2.968 0.173 2.650
50 HD2 TYR 6 HD2 TYR 6 -1.361 -0.746 -1.225
51 HE1 TYR 6 HE1 TYR 6 -5.158 0.709 1.615
52 HE2 TYR 6 HE2 TYR 6 -3.546 -0.206 -2.261
53 HH TYR 6 HH TYR 6 -5.676 1.490 -1.282
54 H GLY 7 HN GLY 7 0.331 0.269 4.042
55 HA2 GLY 7 HA2 GLY 7 -1.767 1.915 4.971
56 HA3 GLY 7 HA1 GLY 7 -0.433 1.305 5.948
57 H ALA 8 HN ALA 8 1.673 2.512 4.429
58 HA ALA 8 HA ALA 8 2.937 4.433 4.514
59 HB1 ALA 8 HB1 ALA 8 0.354 5.868 3.898
60 HB2 ALA 8 HB2 ALA 8 1.224 4.922 2.690
61 HB3 ALA 8 HB3 ALA 8 1.992 6.326 3.432
62 H GLY 9 HN GLY 9 1.066 3.614 6.895
63 HA2 GLY 9 HA2 GLY 9 2.032 5.053 8.932
64 HA3 GLY 9 HA1 GLY 9 0.802 6.150 8.311
65 H VAL 10 HN VAL 10 -0.939 3.925 7.462
66 HA VAL 10 HA VAL 10 -2.503 3.686 9.805
67 HB VAL 10 HB VAL 10 -2.587 2.152 7.199
68 HG11 VAL 10 HG11 VAL 10 -4.982 1.690 7.985
69 HG12 VAL 10 HG12 VAL 10 -4.435 2.169 9.593
70 HG13 VAL 10 HG13 VAL 10 -3.708 0.776 8.791
71 HG21 VAL 10 HG21 VAL 10 -4.517 3.663 6.766
72 HG22 VAL 10 HG22 VAL 10 -3.015 4.560 6.989
73 HG23 VAL 10 HG23 VAL 10 -4.196 4.480 8.296
74 H ALA 11 HN ALA 11 -0.344 1.395 8.154
75 HA ALA 11 HA ALA 11 0.565 -0.605 8.832
76 HB1 ALA 11 HB1 ALA 11 1.355 -0.674 11.154
77 HB2 ALA 11 HB2 ALA 11 0.328 0.703 11.553
78 HB3 ALA 11 HB3 ALA 11 1.675 0.903 10.434
79 H SER 12 HN SER 12 -2.246 -0.607 8.500
80 HA SER 12 HA SER 12 -4.025 -2.003 8.856
81 HB2 SER 12 HB2 SER 12 -2.078 -3.687 9.046
82 HB3 SER 12 HB1 SER 12 -2.348 -3.599 10.783
83 HG SER 12 HG SER 12 -3.895 -4.709 8.774
84 H LEU 13 HN LEU 13 -2.970 0.146 10.917
85 HA LEU 13 HA LEU 13 -3.797 1.131 12.817
86 HB2 LEU 13 HB2 LEU 13 -5.944 0.691 11.463
87 HB3 LEU 13 HB1 LEU 13 -6.190 -0.682 12.538
88 HG LEU 13 HG LEU 13 -5.774 1.132 14.443
89 HD11 LEU 13 HD11 LEU 13 -6.409 3.358 13.887
90 HD12 LEU 13 HD12 LEU 13 -7.002 2.877 12.297
91 HD13 LEU 13 HD13 LEU 13 -5.273 2.890 12.623
92 HD21 LEU 13 HD21 LEU 13 -8.373 1.073 12.872
93 HD22 LEU 13 HD22 LEU 13 -8.186 1.500 14.573
94 HD23 LEU 13 HD23 LEU 13 -7.887 -0.154 14.040
95 HA PRO 14 HA PRO 14 -2.875 -2.504 15.495
96 HB2 PRO 14 HB2 PRO 14 -0.210 -2.166 15.873
97 HB3 PRO 14 HB1 PRO 14 -0.862 -2.954 14.423
98 HG2 PRO 14 HG2 PRO 14 0.364 -0.284 14.704
99 HG3 PRO 14 HG1 PRO 14 0.191 -1.298 13.265
100 HD2 PRO 14 HD2 PRO 14 -1.493 0.931 14.084
101 HD3 PRO 14 HD1 PRO 14 -1.616 -0.050 12.610
102 H LEU 15 HN LEU 15 -0.632 0.178 16.125
103 HA LEU 15 HA LEU 15 -1.092 0.248 18.906
104 HB2 LEU 15 HB2 LEU 15 0.124 2.251 16.999
105 HB3 LEU 15 HB1 LEU 15 0.099 2.484 18.744
106 HG LEU 15 HG LEU 15 1.250 -0.003 17.446
107 HD11 LEU 15 HD11 LEU 15 3.484 1.152 17.941
108 HD12 LEU 15 HD12 LEU 15 2.560 2.647 18.091
109 HD13 LEU 15 HD13 LEU 15 2.577 1.768 16.561
110 HD21 LEU 15 HD21 LEU 15 2.587 0.118 19.695
111 HD22 LEU 15 HD22 LEU 15 0.920 -0.438 19.749
112 HD23 LEU 15 HD23 LEU 15 1.311 1.216 20.217
113 H LEU 16 HN LEU 16 -2.406 2.144 16.233
114 HA LEU 16 HA LEU 16 -3.805 4.052 17.761
115 HB2 LEU 16 HB2 LEU 16 -4.351 2.910 15.015
116 HB3 LEU 16 HB1 LEU 16 -5.225 4.280 15.693
117 HG LEU 16 HG LEU 16 -2.208 4.193 15.407
118 HD11 LEU 16 HD11 LEU 16 -3.325 4.050 13.206
119 HD12 LEU 16 HD12 LEU 16 -2.514 5.601 13.419
120 HD13 LEU 16 HD13 LEU 16 -4.265 5.490 13.596
121 HD21 LEU 16 HD21 LEU 16 -2.643 5.879 16.970
122 HD22 LEU 16 HD22 LEU 16 -4.218 6.267 16.279
123 HD23 LEU 16 HD23 LEU 16 -2.745 6.794 15.468
124 H ASN 17 HN ASN 17 -4.713 0.853 16.566
125 HA ASN 17 HA ASN 17 -7.424 0.910 17.333
126 HB2 ASN 17 HB2 ASN 17 -6.559 -0.815 15.846
127 HB3 ASN 17 HB1 ASN 17 -5.514 -1.428 17.124
128 HD21 ASN 17 HD21 ASN 17 -9.003 -0.848 16.426
129 HD22 ASN 17 HD22 ASN 17 -9.552 -2.160 17.353
130 H VAL 18 HN VAL 18 -4.498 -0.058 19.085
131 HA VAL 18 HA VAL 18 -5.788 -1.036 21.406
132 HB VAL 18 HB VAL 18 -3.035 0.160 21.010
133 HG11 VAL 18 HG11 VAL 18 -3.518 0.380 23.343
134 HG12 VAL 18 HG12 VAL 18 -2.565 -1.095 23.185
135 HG13 VAL 18 HG13 VAL 18 -4.313 -1.193 23.396
136 HG21 VAL 18 HG21 VAL 18 -3.842 -2.726 21.427
137 HG22 VAL 18 HG22 VAL 18 -2.291 -2.105 20.861
138 HG23 VAL 18 HG23 VAL 18 -3.713 -2.006 19.822
139 H ILE 19 HN ILE 19 -4.476 2.158 20.573
140 HA ILE 19 HA ILE 19 -5.120 3.431 23.020
141 HB ILE 19 HB ILE 19 -4.743 4.529 20.222
142 HG12 ILE 19 HG12 ILE 19 -2.921 4.645 22.639
143 HG13 ILE 19 HG11 ILE 19 -2.813 3.381 21.413
144 HG21 ILE 19 HG21 ILE 19 -5.111 5.916 22.888
145 HG22 ILE 19 HG22 ILE 19 -6.030 6.168 21.404
146 HG23 ILE 19 HG23 ILE 19 -4.353 6.703 21.504
147 HD11 ILE 19 HD11 ILE 19 -2.497 6.362 20.961
148 HD12 ILE 19 HD12 ILE 19 -2.529 5.157 19.674
149 HD13 ILE 19 HD13 ILE 19 -1.226 5.143 20.862
150 H ALA 20 HN ALA 20 -6.835 3.108 19.940
151 HA ALA 20 HA ALA 20 -9.083 4.691 20.663
152 HB1 ALA 20 HB1 ALA 20 -9.080 2.415 18.677
153 HB2 ALA 20 HB2 ALA 20 -8.389 3.997 18.316
154 HB3 ALA 20 HB3 ALA 20 -10.108 3.848 18.681
155 HN1 NH2 21 H2 NH2 21 -9.829 0.846 21.873
156 HN2 NH2 21 H1 NH2 21 -8.471 1.164 20.904
Start of MODEL 34
1 H1 ACE 0 HA2 ACE 0 0.789 -3.509 -3.021
2 H2 ACE 0 HA3 ACE 0 0.876 -3.059 -1.317
3 H3 ACE 0 HA1 ACE 0 -0.554 -3.883 -1.939
4 H LEU 1 HN LEU 1 2.423 -4.951 -3.230
5 HA LEU 1 HA LEU 1 2.157 -7.517 -1.853
6 HB2 LEU 1 HB2 LEU 1 3.922 -6.599 -4.126
7 HB3 LEU 1 HB1 LEU 1 3.921 -8.234 -3.473
8 HG LEU 1 HG LEU 1 1.458 -6.846 -4.566
9 HD11 LEU 1 HD11 LEU 1 3.266 -7.245 -6.281
10 HD12 LEU 1 HD12 LEU 1 1.767 -8.116 -6.598
11 HD13 LEU 1 HD13 LEU 1 3.151 -8.968 -5.916
12 HD21 LEU 1 HD21 LEU 1 0.622 -8.559 -3.225
13 HD22 LEU 1 HD22 LEU 1 2.040 -9.582 -3.449
14 HD23 LEU 1 HD23 LEU 1 0.843 -9.436 -4.736
15 H GLY 2 HN GLY 2 3.652 -4.673 -1.163
16 HA2 GLY 2 HA2 GLY 2 5.453 -5.929 0.717
17 HA3 GLY 2 HA1 GLY 2 6.276 -5.067 -0.577
18 H LEU 3 HN LEU 3 4.220 -3.004 -0.823
19 HA LEU 3 HA LEU 3 5.098 -1.315 1.386
20 HB2 LEU 3 HB2 LEU 3 3.490 -0.713 -1.102
21 HB3 LEU 3 HB1 LEU 3 3.959 0.493 0.094
22 HG LEU 3 HG LEU 3 5.915 -1.270 -1.414
23 HD11 LEU 3 HD11 LEU 3 5.014 1.585 -1.887
24 HD12 LEU 3 HD12 LEU 3 4.853 0.220 -2.991
25 HD13 LEU 3 HD13 LEU 3 6.449 0.877 -2.628
26 HD21 LEU 3 HD21 LEU 3 6.177 0.896 0.667
27 HD22 LEU 3 HD22 LEU 3 7.422 0.771 -0.575
28 HD23 LEU 3 HD23 LEU 3 7.097 -0.598 0.482
29 H LEU 4 HN LEU 4 2.535 -3.378 0.831
30 HA LEU 4 HA LEU 4 0.340 -1.911 1.818
31 HB2 LEU 4 HB2 LEU 4 0.097 -4.065 0.654
32 HB3 LEU 4 HB1 LEU 4 0.885 -4.885 1.998
33 HG LEU 4 HG LEU 4 -0.935 -4.162 3.510
34 HD11 LEU 4 HD11 LEU 4 -3.045 -3.282 2.178
35 HD12 LEU 4 HD12 LEU 4 -1.835 -2.715 1.026
36 HD13 LEU 4 HD13 LEU 4 -1.799 -2.150 2.696
37 HD21 LEU 4 HD21 LEU 4 -2.679 -5.615 2.580
38 HD22 LEU 4 HD22 LEU 4 -1.088 -6.311 2.267
39 HD23 LEU 4 HD23 LEU 4 -1.958 -5.484 0.975
40 H SER 5 HN SER 5 2.759 -3.928 3.447
41 HA SER 5 HA SER 5 1.612 -3.404 6.071
42 HB2 SER 5 HB2 SER 5 3.953 -4.999 5.056
43 HB3 SER 5 HB1 SER 5 3.757 -4.678 6.778
44 HG SER 5 HG SER 5 1.589 -5.629 5.264
45 H TYR 6 HN TYR 6 3.849 -1.925 3.966
46 HA TYR 6 HA TYR 6 5.688 -0.805 5.779
47 HB2 TYR 6 HB2 TYR 6 6.111 -0.776 3.402
48 HB3 TYR 6 HB1 TYR 6 4.682 0.220 3.117
49 HD1 TYR 6 HD2 TYR 6 7.945 0.172 4.942
50 HD2 TYR 6 HD1 TYR 6 4.842 2.574 3.197
51 HE1 TYR 6 HE2 TYR 6 9.307 2.207 5.323
52 HE2 TYR 6 HE1 TYR 6 6.205 4.609 3.575
53 HH TYR 6 HH TYR 6 9.466 4.399 4.999
54 H GLY 7 HN GLY 7 2.596 0.467 4.533
55 HA2 GLY 7 HA2 GLY 7 1.626 1.656 6.769
56 HA3 GLY 7 HA1 GLY 7 2.778 2.847 6.174
57 H ALA 8 HN ALA 8 0.611 0.672 4.377
58 HA ALA 8 HA ALA 8 -0.415 2.983 2.870
59 HB1 ALA 8 HB1 ALA 8 -0.833 0.022 2.404
60 HB2 ALA 8 HB2 ALA 8 0.421 0.995 1.635
61 HB3 ALA 8 HB3 ALA 8 -1.280 1.330 1.308
62 H GLY 9 HN GLY 9 -1.198 2.279 5.694
63 HA2 GLY 9 HA2 GLY 9 -3.832 3.039 5.727
64 HA3 GLY 9 HA1 GLY 9 -3.892 1.282 5.588
65 H VAL 10 HN VAL 10 -1.557 0.688 7.041
66 HA VAL 10 HA VAL 10 -2.553 0.672 9.696
67 HB VAL 10 HB VAL 10 0.223 0.110 8.617
68 HG11 VAL 10 HG11 VAL 10 0.465 0.603 10.946
69 HG12 VAL 10 HG12 VAL 10 0.416 -1.156 10.827
70 HG13 VAL 10 HG13 VAL 10 -1.014 -0.267 11.352
71 HG21 VAL 10 HG21 VAL 10 -0.472 -2.245 8.871
72 HG22 VAL 10 HG22 VAL 10 -1.563 -1.390 7.780
73 HG23 VAL 10 HG23 VAL 10 -2.057 -1.721 9.441
74 H ALA 11 HN ALA 11 -0.080 2.564 8.018
75 HA ALA 11 HA ALA 11 0.722 4.682 8.439
76 HB1 ALA 11 HB1 ALA 11 -0.893 4.910 10.963
77 HB2 ALA 11 HB2 ALA 11 -1.719 4.941 9.408
78 HB3 ALA 11 HB3 ALA 11 -0.489 6.150 9.776
79 H SER 12 HN SER 12 0.073 3.216 11.592
80 HA SER 12 HA SER 12 2.691 2.408 12.194
81 HB2 SER 12 HB2 SER 12 3.350 4.734 12.206
82 HB3 SER 12 HB1 SER 12 1.965 5.173 13.198
83 HG SER 12 HG SER 12 3.100 4.643 14.873
84 H LEU 13 HN LEU 13 0.051 1.501 12.476
85 HA LEU 13 HA LEU 13 -1.464 0.654 13.978
86 HB2 LEU 13 HB2 LEU 13 0.703 -0.632 14.390
87 HB3 LEU 13 HB1 LEU 13 0.938 0.415 15.787
88 HG LEU 13 HG LEU 13 -1.551 -0.329 16.375
89 HD11 LEU 13 HD11 LEU 13 -0.555 -2.748 14.843
90 HD12 LEU 13 HD12 LEU 13 -1.737 -1.618 14.187
91 HD13 LEU 13 HD13 LEU 13 -2.117 -2.549 15.632
92 HD21 LEU 13 HD21 LEU 13 0.803 -2.214 16.726
93 HD22 LEU 13 HD22 LEU 13 -0.643 -2.156 17.732
94 HD23 LEU 13 HD23 LEU 13 0.484 -0.801 17.730
95 HA PRO 14 HA PRO 14 -1.514 4.294 16.882
96 HB2 PRO 14 HB2 PRO 14 -2.656 6.287 15.502
97 HB3 PRO 14 HB1 PRO 14 -0.944 5.884 15.260
98 HG2 PRO 14 HG2 PRO 14 -3.275 5.325 13.504
99 HG3 PRO 14 HG1 PRO 14 -1.582 5.621 13.074
100 HD2 PRO 14 HD2 PRO 14 -2.875 3.060 13.346
101 HD3 PRO 14 HD1 PRO 14 -1.162 3.378 13.026
102 H LEU 15 HN LEU 15 -4.105 4.041 14.447
103 HA LEU 15 HA LEU 15 -6.251 4.526 16.214
104 HB2 LEU 15 HB2 LEU 15 -6.038 3.293 13.471
105 HB3 LEU 15 HB1 LEU 15 -7.586 3.393 14.308
106 HG LEU 15 HG LEU 15 -5.772 5.771 13.800
107 HD11 LEU 15 HD11 LEU 15 -6.577 4.838 11.679
108 HD12 LEU 15 HD12 LEU 15 -7.391 6.365 12.019
109 HD13 LEU 15 HD13 LEU 15 -8.232 4.837 12.288
110 HD21 LEU 15 HD21 LEU 15 -8.445 5.389 15.122
111 HD22 LEU 15 HD22 LEU 15 -8.224 6.843 14.150
112 HD23 LEU 15 HD23 LEU 15 -7.151 6.522 15.506
113 H LEU 16 HN LEU 16 -4.721 1.559 15.058
114 HA LEU 16 HA LEU 16 -6.551 -0.270 16.179
115 HB2 LEU 16 HB2 LEU 16 -3.658 -0.434 15.361
116 HB3 LEU 16 HB1 LEU 16 -4.434 -1.805 16.147
117 HG LEU 16 HG LEU 16 -4.504 -1.880 13.628
118 HD11 LEU 16 HD11 LEU 16 -6.569 -2.906 13.590
119 HD12 LEU 16 HD12 LEU 16 -7.364 -1.623 14.497
120 HD13 LEU 16 HD13 LEU 16 -6.354 -2.802 15.335
121 HD21 LEU 16 HD21 LEU 16 -6.507 0.376 13.889
122 HD22 LEU 16 HD22 LEU 16 -5.868 -0.333 12.407
123 HD23 LEU 16 HD23 LEU 16 -4.821 0.639 13.441
124 H ASN 17 HN ASN 17 -3.648 1.284 17.469
125 HA ASN 17 HA ASN 17 -3.515 -0.134 19.903
126 HB2 ASN 17 HB2 ASN 17 -2.527 2.567 19.004
127 HB3 ASN 17 HB1 ASN 17 -2.319 2.042 20.674
128 HD21 ASN 17 HD21 ASN 17 -0.061 2.471 18.972
129 HD22 ASN 17 HD22 ASN 17 0.676 0.970 18.672
130 H VAL 18 HN VAL 18 -5.253 2.811 18.971
131 HA VAL 18 HA VAL 18 -6.192 3.503 21.544
132 HB VAL 18 HB VAL 18 -7.350 4.016 18.793
133 HG11 VAL 18 HG11 VAL 18 -9.182 4.232 20.315
134 HG12 VAL 18 HG12 VAL 18 -8.586 5.870 20.046
135 HG13 VAL 18 HG13 VAL 18 -8.170 5.013 21.530
136 HG21 VAL 18 HG21 VAL 18 -5.101 4.996 19.370
137 HG22 VAL 18 HG22 VAL 18 -5.872 5.838 20.714
138 HG23 VAL 18 HG23 VAL 18 -6.345 6.207 19.055
139 H ILE 19 HN ILE 19 -7.607 1.525 18.955
140 HA ILE 19 HA ILE 19 -10.010 0.880 20.309
141 HB ILE 19 HB ILE 19 -8.486 -0.565 18.126
142 HG12 ILE 19 HG12 ILE 19 -11.035 1.067 17.995
143 HG13 ILE 19 HG11 ILE 19 -9.437 1.753 17.700
144 HG21 ILE 19 HG21 ILE 19 -11.190 -1.089 19.376
145 HG22 ILE 19 HG22 ILE 19 -9.863 -2.226 19.144
146 HG23 ILE 19 HG23 ILE 19 -10.781 -1.649 17.755
147 HD11 ILE 19 HD11 ILE 19 -10.535 1.078 15.583
148 HD12 ILE 19 HD12 ILE 19 -10.643 -0.579 16.180
149 HD13 ILE 19 HD13 ILE 19 -9.066 0.147 15.875
150 H ALA 20 HN ALA 20 -6.860 -0.713 20.084
151 HA ALA 20 HA ALA 20 -7.468 -3.048 21.521
152 HB1 ALA 20 HB1 ALA 20 -4.828 -1.565 21.472
153 HB2 ALA 20 HB2 ALA 20 -5.378 -2.678 20.219
154 HB3 ALA 20 HB3 ALA 20 -5.071 -3.270 21.851
155 HN1 NH2 21 H2 NH2 21 -6.837 -0.163 24.346
156 HN2 NH2 21 H1 NH2 21 -6.620 0.203 22.703
Start of MODEL 35
1 H1 ACE 0 HA2 ACE 0 4.675 -8.768 3.612
2 H2 ACE 0 HA3 ACE 0 6.085 -9.560 2.906
3 H3 ACE 0 HA1 ACE 0 4.576 -10.453 3.096
4 H LEU 1 HN LEU 1 2.817 -8.407 2.228
5 HA LEU 1 HA LEU 1 2.843 -8.817 -0.566
6 HB2 LEU 1 HB2 LEU 1 1.348 -6.824 1.148
7 HB3 LEU 1 HB1 LEU 1 1.052 -7.046 -0.574
8 HG LEU 1 HG LEU 1 0.892 -9.283 1.466
9 HD11 LEU 1 HD11 LEU 1 -0.805 -7.447 1.815
10 HD12 LEU 1 HD12 LEU 1 -1.508 -9.018 1.434
11 HD13 LEU 1 HD13 LEU 1 -1.405 -7.773 0.190
12 HD21 LEU 1 HD21 LEU 1 -0.607 -10.170 -0.553
13 HD22 LEU 1 HD22 LEU 1 1.139 -10.367 -0.585
14 HD23 LEU 1 HD23 LEU 1 0.384 -9.059 -1.496
15 H GLY 2 HN GLY 2 3.896 -6.146 1.478
16 HA2 GLY 2 HA2 GLY 2 5.733 -4.733 0.917
17 HA3 GLY 2 HA1 GLY 2 5.420 -5.030 -0.789
18 H LEU 3 HN LEU 3 2.513 -4.636 0.657
19 HA LEU 3 HA LEU 3 2.228 -1.905 -0.359
20 HB2 LEU 3 HB2 LEU 3 0.181 -3.814 0.801
21 HB3 LEU 3 HB1 LEU 3 -0.174 -2.270 0.028
22 HG LEU 3 HG LEU 3 1.238 -4.592 -1.321
23 HD11 LEU 3 HD11 LEU 3 -1.605 -3.583 -1.648
24 HD12 LEU 3 HD12 LEU 3 -1.148 -5.056 -0.792
25 HD13 LEU 3 HD13 LEU 3 -0.868 -4.922 -2.529
26 HD21 LEU 3 HD21 LEU 3 0.461 -3.115 -3.375
27 HD22 LEU 3 HD22 LEU 3 1.933 -2.692 -2.508
28 HD23 LEU 3 HD23 LEU 3 0.438 -1.813 -2.184
29 H LEU 4 HN LEU 4 2.915 -3.436 2.568
30 HA LEU 4 HA LEU 4 1.547 -1.798 4.421
31 HB2 LEU 4 HB2 LEU 4 4.067 -3.445 4.566
32 HB3 LEU 4 HB1 LEU 4 3.519 -2.498 5.946
33 HG LEU 4 HG LEU 4 1.766 -4.509 4.503
34 HD11 LEU 4 HD11 LEU 4 2.254 -5.922 6.581
35 HD12 LEU 4 HD12 LEU 4 3.609 -4.833 6.877
36 HD13 LEU 4 HD13 LEU 4 3.558 -5.794 5.399
37 HD21 LEU 4 HD21 LEU 4 0.282 -3.197 5.733
38 HD22 LEU 4 HD22 LEU 4 1.478 -2.792 6.961
39 HD23 LEU 4 HD23 LEU 4 0.715 -4.381 6.959
40 H SER 5 HN SER 5 4.687 -1.493 2.831
41 HA SER 5 HA SER 5 5.622 0.747 4.244
42 HB2 SER 5 HB2 SER 5 7.064 -0.631 2.805
43 HB3 SER 5 HB1 SER 5 6.193 -0.063 1.384
44 HG SER 5 HG SER 5 7.162 1.875 3.121
45 H TYR 6 HN TYR 6 3.648 0.494 1.320
46 HA TYR 6 HA TYR 6 3.608 3.214 0.627
47 HB2 TYR 6 HB2 TYR 6 1.696 0.927 0.177
48 HB3 TYR 6 HB1 TYR 6 1.298 2.554 -0.375
49 HD1 TYR 6 HD2 TYR 6 3.937 -0.086 -0.564
50 HD2 TYR 6 HD1 TYR 6 2.215 3.403 -2.382
51 HE1 TYR 6 HE2 TYR 6 5.381 -0.410 -2.555
52 HE2 TYR 6 HE1 TYR 6 3.659 3.082 -4.373
53 HH TYR 6 HH TYR 6 5.566 0.195 -4.810
54 H GLY 7 HN GLY 7 2.683 1.925 3.498
55 HA2 GLY 7 HA2 GLY 7 1.693 3.006 5.304
56 HA3 GLY 7 HA1 GLY 7 1.169 4.290 4.218
57 H ALA 8 HN ALA 8 0.574 0.846 3.739
58 HA ALA 8 HA ALA 8 -2.173 1.202 3.189
59 HB1 ALA 8 HB1 ALA 8 -2.332 -1.256 3.390
60 HB2 ALA 8 HB2 ALA 8 -0.716 -1.297 4.093
61 HB3 ALA 8 HB3 ALA 8 -0.939 -0.775 2.422
62 H GLY 9 HN GLY 9 -0.427 0.405 6.134
63 HA2 GLY 9 HA2 GLY 9 -2.915 0.780 7.705
64 HA3 GLY 9 HA1 GLY 9 -1.719 -0.451 8.109
65 H VAL 10 HN VAL 10 0.445 1.422 7.196
66 HA VAL 10 HA VAL 10 1.888 2.940 8.098
67 HB VAL 10 HB VAL 10 -0.447 4.126 9.583
68 HG11 VAL 10 HG11 VAL 10 2.040 5.285 8.281
69 HG12 VAL 10 HG12 VAL 10 1.773 5.098 10.012
70 HG13 VAL 10 HG13 VAL 10 0.789 6.229 9.087
71 HG21 VAL 10 HG21 VAL 10 -0.703 5.517 7.423
72 HG22 VAL 10 HG22 VAL 10 -1.341 3.876 7.393
73 HG23 VAL 10 HG23 VAL 10 0.210 4.230 6.635
74 H ALA 11 HN ALA 11 0.133 0.756 9.917
75 HA ALA 11 HA ALA 11 0.308 -0.071 12.069
76 HB1 ALA 11 HB1 ALA 11 2.658 -0.386 12.812
77 HB2 ALA 11 HB2 ALA 11 3.190 0.664 11.498
78 HB3 ALA 11 HB3 ALA 11 2.411 -0.877 11.135
79 H SER 12 HN SER 12 0.134 2.984 11.582
80 HA SER 12 HA SER 12 0.784 3.789 14.366
81 HB2 SER 12 HB2 SER 12 2.239 4.769 12.452
82 HB3 SER 12 HB1 SER 12 0.810 5.714 12.048
83 HG SER 12 HG SER 12 0.814 6.419 14.259
84 H LEU 13 HN LEU 13 -1.678 2.680 13.521
85 HA LEU 13 HA LEU 13 -3.464 4.632 14.501
86 HB2 LEU 13 HB2 LEU 13 -2.934 4.981 11.783
87 HB3 LEU 13 HB1 LEU 13 -4.437 4.068 11.770
88 HG LEU 13 HG LEU 13 -5.265 5.785 13.539
89 HD11 LEU 13 HD11 LEU 13 -4.178 8.055 13.160
90 HD12 LEU 13 HD12 LEU 13 -2.836 7.200 12.404
91 HD13 LEU 13 HD13 LEU 13 -3.223 6.911 14.100
92 HD21 LEU 13 HD21 LEU 13 -4.767 6.485 10.632
93 HD22 LEU 13 HD22 LEU 13 -5.821 7.428 11.686
94 HD23 LEU 13 HD23 LEU 13 -6.211 5.748 11.324
95 HA PRO 14 HA PRO 14 -5.827 0.612 13.154
96 HB2 PRO 14 HB2 PRO 14 -3.573 -1.253 12.583
97 HB3 PRO 14 HB1 PRO 14 -5.078 -0.997 11.678
98 HG2 PRO 14 HG2 PRO 14 -2.742 -0.129 10.735
99 HG3 PRO 14 HG1 PRO 14 -4.225 0.822 10.523
100 HD2 PRO 14 HD2 PRO 14 -2.017 1.210 12.531
101 HD3 PRO 14 HD1 PRO 14 -2.861 2.428 11.548
102 H LEU 15 HN LEU 15 -2.610 -0.351 14.388
103 HA LEU 15 HA LEU 15 -3.594 -2.060 16.414
104 HB2 LEU 15 HB2 LEU 15 -0.948 -0.643 16.071
105 HB3 LEU 15 HB1 LEU 15 -1.257 -1.805 17.357
106 HG LEU 15 HG LEU 15 -1.666 -2.445 14.421
107 HD11 LEU 15 HD11 LEU 15 0.775 -2.747 16.180
108 HD12 LEU 15 HD12 LEU 15 0.657 -1.951 14.610
109 HD13 LEU 15 HD13 LEU 15 0.539 -3.706 14.720
110 HD21 LEU 15 HD21 LEU 15 -1.232 -4.819 15.476
111 HD22 LEU 15 HD22 LEU 15 -2.817 -4.082 15.661
112 HD23 LEU 15 HD23 LEU 15 -1.664 -4.034 16.994
113 H LEU 16 HN LEU 16 -2.572 1.327 16.452
114 HA LEU 16 HA LEU 16 -2.799 1.751 19.230
115 HB2 LEU 16 HB2 LEU 16 -3.038 3.634 16.880
116 HB3 LEU 16 HB1 LEU 16 -3.012 4.175 18.555
117 HG LEU 16 HG LEU 16 -0.843 2.438 17.348
118 HD11 LEU 16 HD11 LEU 16 0.468 4.589 17.238
119 HD12 LEU 16 HD12 LEU 16 -1.037 5.453 17.553
120 HD13 LEU 16 HD13 LEU 16 -0.863 4.488 16.088
121 HD21 LEU 16 HD21 LEU 16 -1.208 3.931 19.948
122 HD22 LEU 16 HD22 LEU 16 0.417 3.669 19.316
123 HD23 LEU 16 HD23 LEU 16 -0.614 2.292 19.681
124 H ASN 17 HN ASN 17 -5.120 2.087 16.593
125 HA ASN 17 HA ASN 17 -7.207 3.272 18.057
126 HB2 ASN 17 HB2 ASN 17 -7.233 3.174 15.619
127 HB3 ASN 17 HB1 ASN 17 -7.349 1.416 15.672
128 HD21 ASN 17 HD21 ASN 17 -9.155 4.406 16.051
129 HD22 ASN 17 HD22 ASN 17 -10.675 3.677 16.265
130 H VAL 18 HN VAL 18 -6.328 -0.125 17.574
131 HA VAL 18 HA VAL 18 -8.612 -1.277 18.758
132 HB VAL 18 HB VAL 18 -5.761 -2.278 18.560
133 HG11 VAL 18 HG11 VAL 18 -6.738 -3.521 20.345
134 HG12 VAL 18 HG12 VAL 18 -6.928 -4.537 18.916
135 HG13 VAL 18 HG13 VAL 18 -8.298 -3.610 19.527
136 HG21 VAL 18 HG21 VAL 18 -7.161 -1.834 16.459
137 HG22 VAL 18 HG22 VAL 18 -8.221 -3.130 17.016
138 HG23 VAL 18 HG23 VAL 18 -6.532 -3.472 16.638
139 H ILE 19 HN ILE 19 -5.457 -0.369 20.150
140 HA ILE 19 HA ILE 19 -6.086 -1.169 22.805
141 HB ILE 19 HB ILE 19 -4.142 0.970 21.907
142 HG12 ILE 19 HG12 ILE 19 -3.659 -1.119 20.746
143 HG13 ILE 19 HG11 ILE 19 -2.456 -0.870 22.006
144 HG21 ILE 19 HG21 ILE 19 -2.973 0.243 24.040
145 HG22 ILE 19 HG22 ILE 19 -4.445 -0.640 24.449
146 HG23 ILE 19 HG23 ILE 19 -4.489 1.114 24.270
147 HD11 ILE 19 HD11 ILE 19 -4.095 -2.323 23.472
148 HD12 ILE 19 HD12 ILE 19 -3.026 -3.116 22.319
149 HD13 ILE 19 HD13 ILE 19 -4.718 -2.849 21.910
150 H ALA 20 HN ALA 20 -6.320 1.908 21.069
151 HA ALA 20 HA ALA 20 -7.339 3.358 23.331
152 HB1 ALA 20 HB1 ALA 20 -6.128 4.323 21.285
153 HB2 ALA 20 HB2 ALA 20 -7.551 5.196 21.856
154 HB3 ALA 20 HB3 ALA 20 -7.667 4.150 20.439
155 HN1 NH2 21 H2 NH2 21 -10.401 1.537 21.457
156 HN2 NH2 21 H1 NH2 21 -8.783 1.137 21.140
Start of MODEL 36
1 H1 ACE 0 HA2 ACE 0 8.731 -7.339 -2.187
2 H2 ACE 0 HA3 ACE 0 8.257 -7.082 -0.507
3 H3 ACE 0 HA1 ACE 0 8.112 -5.769 -1.673
4 H LEU 1 HN LEU 1 6.281 -7.719 0.061
5 HA LEU 1 HA LEU 1 4.490 -8.948 -1.745
6 HB2 LEU 1 HB2 LEU 1 4.092 -7.920 1.071
7 HB3 LEU 1 HB1 LEU 1 2.887 -8.857 0.194
8 HG LEU 1 HG LEU 1 5.723 -9.816 0.663
9 HD11 LEU 1 HD11 LEU 1 3.206 -10.187 2.294
10 HD12 LEU 1 HD12 LEU 1 4.789 -9.634 2.840
11 HD13 LEU 1 HD13 LEU 1 4.553 -11.322 2.386
12 HD21 LEU 1 HD21 LEU 1 4.871 -11.123 -1.086
13 HD22 LEU 1 HD22 LEU 1 3.213 -11.029 -0.495
14 HD23 LEU 1 HD23 LEU 1 4.381 -12.071 0.315
15 H GLY 2 HN GLY 2 4.626 -5.735 -0.306
16 HA2 GLY 2 HA2 GLY 2 3.847 -3.784 -1.458
17 HA3 GLY 2 HA1 GLY 2 2.647 -4.775 -2.283
18 H LEU 3 HN LEU 3 2.738 -5.869 0.771
19 HA LEU 3 HA LEU 3 0.332 -4.362 1.541
20 HB2 LEU 3 HB2 LEU 3 1.596 -6.859 2.696
21 HB3 LEU 3 HB1 LEU 3 0.104 -6.126 3.277
22 HG LEU 3 HG LEU 3 0.543 -7.086 0.432
23 HD11 LEU 3 HD11 LEU 3 -1.103 -8.899 1.191
24 HD12 LEU 3 HD12 LEU 3 -0.730 -8.400 2.841
25 HD13 LEU 3 HD13 LEU 3 0.547 -9.036 1.802
26 HD21 LEU 3 HD21 LEU 3 -1.757 -5.820 1.916
27 HD22 LEU 3 HD22 LEU 3 -2.109 -6.996 0.650
28 HD23 LEU 3 HD23 LEU 3 -1.199 -5.538 0.266
29 H LEU 4 HN LEU 4 3.606 -4.121 1.996
30 HA LEU 4 HA LEU 4 3.821 -3.605 4.770
31 HB2 LEU 4 HB2 LEU 4 5.440 -2.816 2.357
32 HB3 LEU 4 HB1 LEU 4 5.842 -2.164 3.942
33 HG LEU 4 HG LEU 4 7.098 -4.271 3.304
34 HD11 LEU 4 HD11 LEU 4 7.178 -5.037 5.489
35 HD12 LEU 4 HD12 LEU 4 5.435 -4.939 5.717
36 HD13 LEU 4 HD13 LEU 4 6.413 -3.471 5.747
37 HD21 LEU 4 HD21 LEU 4 5.016 -5.274 2.203
38 HD22 LEU 4 HD22 LEU 4 4.469 -5.669 3.832
39 HD23 LEU 4 HD23 LEU 4 5.965 -6.366 3.211
40 H SER 5 HN SER 5 3.110 -1.540 1.995
41 HA SER 5 HA SER 5 2.969 0.896 3.487
42 HB2 SER 5 HB2 SER 5 3.406 0.856 1.063
43 HB3 SER 5 HB1 SER 5 1.800 0.192 0.784
44 HG SER 5 HG SER 5 2.223 2.601 2.205
45 H TYR 6 HN TYR 6 1.010 -1.779 3.481
46 HA TYR 6 HA TYR 6 -1.602 -0.768 3.378
47 HB2 TYR 6 HB2 TYR 6 -0.945 -3.192 3.438
48 HB3 TYR 6 HB1 TYR 6 -0.616 -3.005 5.162
49 HD1 TYR 6 HD1 TYR 6 -2.465 -2.380 6.728
50 HD2 TYR 6 HD2 TYR 6 -3.175 -3.341 2.606
51 HE1 TYR 6 HE1 TYR 6 -4.871 -2.724 7.226
52 HE2 TYR 6 HE2 TYR 6 -5.581 -3.684 3.098
53 HH TYR 6 HH TYR 6 -6.927 -2.954 6.286
54 H GLY 7 HN GLY 7 0.577 -1.168 6.179
55 HA2 GLY 7 HA2 GLY 7 -0.883 0.976 7.574
56 HA3 GLY 7 HA1 GLY 7 -0.762 -0.590 8.364
57 H ALA 8 HN ALA 8 2.044 -0.384 6.681
58 HA ALA 8 HA ALA 8 3.553 0.286 9.053
59 HB1 ALA 8 HB1 ALA 8 4.802 -0.128 6.348
60 HB2 ALA 8 HB2 ALA 8 4.094 -1.492 7.210
61 HB3 ALA 8 HB3 ALA 8 5.412 -0.578 7.940
62 H GLY 9 HN GLY 9 2.617 2.520 9.107
63 HA2 GLY 9 HA2 GLY 9 4.236 4.568 8.917
64 HA3 GLY 9 HA1 GLY 9 3.850 4.403 7.206
65 H VAL 10 HN VAL 10 1.110 3.424 7.967
66 HA VAL 10 HA VAL 10 -0.270 5.873 7.737
67 HB VAL 10 HB VAL 10 -1.226 3.131 8.587
68 HG11 VAL 10 HG11 VAL 10 -3.486 4.097 7.884
69 HG12 VAL 10 HG12 VAL 10 -2.726 5.686 7.968
70 HG13 VAL 10 HG13 VAL 10 -2.843 4.687 9.415
71 HG21 VAL 10 HG21 VAL 10 -1.571 4.604 5.960
72 HG22 VAL 10 HG22 VAL 10 -1.934 2.911 6.298
73 HG23 VAL 10 HG23 VAL 10 -0.259 3.463 6.263
74 H ALA 11 HN ALA 11 0.299 3.740 10.524
75 HA ALA 11 HA ALA 11 -0.105 4.050 12.778
76 HB1 ALA 11 HB1 ALA 11 1.915 5.407 12.421
77 HB2 ALA 11 HB2 ALA 11 0.880 6.116 13.663
78 HB3 ALA 11 HB3 ALA 11 0.908 6.804 12.037
79 H SER 12 HN SER 12 -2.405 4.436 11.152
80 HA SER 12 HA SER 12 -3.972 6.149 12.946
81 HB2 SER 12 HB2 SER 12 -3.237 7.416 10.805
82 HB3 SER 12 HB1 SER 12 -4.378 6.373 9.966
83 HG SER 12 HG SER 12 -4.828 8.296 11.979
84 H LEU 13 HN LEU 13 -3.631 3.257 12.483
85 HA LEU 13 HA LEU 13 -6.371 2.541 12.543
86 HB2 LEU 13 HB2 LEU 13 -5.454 2.846 9.957
87 HB3 LEU 13 HB1 LEU 13 -5.204 1.123 10.213
88 HG LEU 13 HG LEU 13 -7.648 1.152 11.158
89 HD11 LEU 13 HD11 LEU 13 -9.058 2.875 10.005
90 HD12 LEU 13 HD12 LEU 13 -7.582 3.692 9.498
91 HD13 LEU 13 HD13 LEU 13 -7.976 3.569 11.212
92 HD21 LEU 13 HD21 LEU 13 -6.988 1.481 8.217
93 HD22 LEU 13 HD22 LEU 13 -8.538 0.894 8.819
94 HD23 LEU 13 HD23 LEU 13 -7.067 -0.029 9.124
95 HA PRO 14 HA PRO 14 -3.585 -1.351 12.949
96 HB2 PRO 14 HB2 PRO 14 -0.806 -0.334 13.025
97 HB3 PRO 14 HB1 PRO 14 -1.500 -1.613 12.009
98 HG2 PRO 14 HG2 PRO 14 -0.747 0.761 10.993
99 HG3 PRO 14 HG1 PRO 14 -2.135 -0.139 10.353
100 HD2 PRO 14 HD2 PRO 14 -2.130 2.198 12.258
101 HD3 PRO 14 HD1 PRO 14 -3.163 1.914 10.838
102 H LEU 15 HN LEU 15 -1.355 1.069 14.272
103 HA LEU 15 HA LEU 15 -1.293 -0.040 16.877
104 HB2 LEU 15 HB2 LEU 15 -0.453 2.661 15.809
105 HB3 LEU 15 HB1 LEU 15 -0.144 2.128 17.460
106 HG LEU 15 HG LEU 15 0.754 0.591 15.004
107 HD11 LEU 15 HD11 LEU 15 1.901 2.708 14.972
108 HD12 LEU 15 HD12 LEU 15 3.031 1.510 15.603
109 HD13 LEU 15 HD13 LEU 15 2.220 2.624 16.704
110 HD21 LEU 15 HD21 LEU 15 1.148 0.286 17.980
111 HD22 LEU 15 HD22 LEU 15 2.423 -0.250 16.889
112 HD23 LEU 15 HD23 LEU 15 0.813 -0.948 16.767
113 H LEU 16 HN LEU 16 -3.093 2.616 15.422
114 HA LEU 16 HA LEU 16 -4.175 3.721 17.759
115 HB2 LEU 16 HB2 LEU 16 -4.261 4.781 15.518
116 HB3 LEU 16 HB1 LEU 16 -5.431 3.567 15.007
117 HG LEU 16 HG LEU 16 -6.971 4.327 16.814
118 HD11 LEU 16 HD11 LEU 16 -4.652 6.165 17.375
119 HD12 LEU 16 HD12 LEU 16 -5.693 5.300 18.508
120 HD13 LEU 16 HD13 LEU 16 -6.290 6.736 17.686
121 HD21 LEU 16 HD21 LEU 16 -7.377 5.263 14.664
122 HD22 LEU 16 HD22 LEU 16 -5.963 6.314 14.765
123 HD23 LEU 16 HD23 LEU 16 -7.380 6.641 15.763
124 H ASN 17 HN ASN 17 -5.337 1.098 15.671
125 HA ASN 17 HA ASN 17 -7.806 0.680 16.968
126 HB2 ASN 17 HB2 ASN 17 -7.372 -0.285 14.794
127 HB3 ASN 17 HB1 ASN 17 -6.045 -1.247 15.443
128 HD21 ASN 17 HD21 ASN 17 -6.790 -3.384 15.481
129 HD22 ASN 17 HD22 ASN 17 -8.295 -3.868 16.100
130 H VAL 18 HN VAL 18 -4.568 -0.627 17.566
131 HA VAL 18 HA VAL 18 -5.295 -2.531 19.518
132 HB VAL 18 HB VAL 18 -2.727 -0.972 19.141
133 HG11 VAL 18 HG11 VAL 18 -3.430 -3.296 20.947
134 HG12 VAL 18 HG12 VAL 18 -2.726 -1.746 21.408
135 HG13 VAL 18 HG13 VAL 18 -1.769 -2.911 20.493
136 HG21 VAL 18 HG21 VAL 18 -1.965 -2.898 17.945
137 HG22 VAL 18 HG22 VAL 18 -3.577 -2.552 17.315
138 HG23 VAL 18 HG23 VAL 18 -3.346 -3.859 18.476
139 H ILE 19 HN ILE 19 -4.286 0.865 19.791
140 HA ILE 19 HA ILE 19 -4.444 1.021 22.615
141 HB ILE 19 HB ILE 19 -4.707 3.144 20.471
142 HG12 ILE 19 HG12 ILE 19 -2.518 2.036 20.522
143 HG13 ILE 19 HG11 ILE 19 -2.377 3.687 21.112
144 HG21 ILE 19 HG21 ILE 19 -4.108 4.697 22.410
145 HG22 ILE 19 HG22 ILE 19 -4.553 3.367 23.480
146 HG23 ILE 19 HG23 ILE 19 -5.754 4.066 22.395
147 HD11 ILE 19 HD11 ILE 19 -2.099 1.108 22.596
148 HD12 ILE 19 HD12 ILE 19 -2.771 2.475 23.479
149 HD13 ILE 19 HD13 ILE 19 -1.172 2.597 22.752
150 H ALA 20 HN ALA 20 -6.749 1.705 20.023
151 HA ALA 20 HA ALA 20 -8.847 2.672 21.658
152 HB1 ALA 20 HB1 ALA 20 -8.642 2.876 19.132
153 HB2 ALA 20 HB2 ALA 20 -10.240 2.436 19.737
154 HB3 ALA 20 HB3 ALA 20 -9.189 1.201 19.041
155 HN1 NH2 21 H2 NH2 21 -9.053 -1.398 21.755
156 HN2 NH2 21 H1 NH2 21 -7.851 -0.629 20.835
Start of MODEL 37
1 H1 ACE 0 HA2 ACE 0 3.260 -6.212 5.729
2 H2 ACE 0 HA3 ACE 0 4.323 -7.066 4.610
3 H3 ACE 0 HA1 ACE 0 3.805 -7.848 6.103
4 H LEU 1 HN LEU 1 1.064 -6.657 5.731
5 HA LEU 1 HA LEU 1 -0.152 -8.856 4.443
6 HB2 LEU 1 HB2 LEU 1 -1.238 -6.144 5.211
7 HB3 LEU 1 HB1 LEU 1 -2.239 -7.447 4.576
8 HG LEU 1 HG LEU 1 -0.479 -7.721 7.031
9 HD11 LEU 1 HD11 LEU 1 -2.228 -6.029 7.406
10 HD12 LEU 1 HD12 LEU 1 -2.570 -7.494 8.329
11 HD13 LEU 1 HD13 LEU 1 -3.455 -7.161 6.839
12 HD21 LEU 1 HD21 LEU 1 -2.277 -9.625 7.388
13 HD22 LEU 1 HD22 LEU 1 -0.924 -9.913 6.303
14 HD23 LEU 1 HD23 LEU 1 -2.504 -9.484 5.646
15 H GLY 2 HN GLY 2 0.554 -5.568 3.366
16 HA2 GLY 2 HA2 GLY 2 0.724 -6.331 0.624
17 HA3 GLY 2 HA1 GLY 2 -0.793 -5.494 0.949
18 H LEU 3 HN LEU 3 2.466 -5.041 2.278
19 HA LEU 3 HA LEU 3 3.860 -3.225 2.384
20 HB2 LEU 3 HB2 LEU 3 2.365 -2.220 -0.051
21 HB3 LEU 3 HB1 LEU 3 3.962 -1.723 0.494
22 HG LEU 3 HG LEU 3 3.223 -4.530 -0.378
23 HD11 LEU 3 HD11 LEU 3 3.270 -2.740 -2.172
24 HD12 LEU 3 HD12 LEU 3 4.428 -4.051 -2.407
25 HD13 LEU 3 HD13 LEU 3 4.970 -2.493 -1.784
26 HD21 LEU 3 HD21 LEU 3 5.022 -4.802 1.107
27 HD22 LEU 3 HD22 LEU 3 5.743 -3.248 0.686
28 HD23 LEU 3 HD23 LEU 3 5.852 -4.605 -0.434
29 H LEU 4 HN LEU 4 0.570 -3.058 2.787
30 HA LEU 4 HA LEU 4 0.075 -0.306 3.106
31 HB2 LEU 4 HB2 LEU 4 -1.734 -1.924 2.938
32 HB3 LEU 4 HB1 LEU 4 -1.209 -2.705 4.427
33 HG LEU 4 HG LEU 4 -1.738 -0.687 5.714
34 HD11 LEU 4 HD11 LEU 4 -2.217 0.462 2.963
35 HD12 LEU 4 HD12 LEU 4 -1.299 1.149 4.305
36 HD13 LEU 4 HD13 LEU 4 -3.058 1.130 4.362
37 HD21 LEU 4 HD21 LEU 4 -3.585 -2.191 5.482
38 HD22 LEU 4 HD22 LEU 4 -3.890 -1.668 3.826
39 HD23 LEU 4 HD23 LEU 4 -4.232 -0.580 5.171
40 H SER 5 HN SER 5 1.128 -2.785 5.414
41 HA SER 5 HA SER 5 1.041 -1.192 7.716
42 HB2 SER 5 HB2 SER 5 2.902 -3.510 7.185
43 HB3 SER 5 HB1 SER 5 2.398 -2.903 8.761
44 HG SER 5 HG SER 5 1.236 -4.776 7.559
45 H TYR 6 HN TYR 6 3.501 -1.428 5.231
46 HA TYR 6 HA TYR 6 5.713 -0.430 6.596
47 HB2 TYR 6 HB2 TYR 6 4.822 -0.203 3.726
48 HB3 TYR 6 HB1 TYR 6 6.313 0.557 4.276
49 HD1 TYR 6 HD2 TYR 6 4.519 -2.735 4.565
50 HD2 TYR 6 HD1 TYR 6 8.285 -0.702 4.172
51 HE1 TYR 6 HE2 TYR 6 5.684 -4.917 4.456
52 HE2 TYR 6 HE1 TYR 6 9.450 -2.888 4.062
53 HH TYR 6 HH TYR 6 8.788 -5.372 5.001
54 H GLY 7 HN GLY 7 3.036 1.360 5.075
55 HA2 GLY 7 HA2 GLY 7 2.543 3.406 6.608
56 HA3 GLY 7 HA1 GLY 7 4.159 3.895 6.106
57 H ALA 8 HN ALA 8 1.822 2.221 4.065
58 HA ALA 8 HA ALA 8 2.120 4.031 1.913
59 HB1 ALA 8 HB1 ALA 8 0.022 1.960 2.552
60 HB2 ALA 8 HB2 ALA 8 1.354 1.835 1.406
61 HB3 ALA 8 HB3 ALA 8 -0.007 2.902 1.066
62 H GLY 9 HN GLY 9 0.184 4.071 4.751
63 HA2 GLY 9 HA2 GLY 9 -0.911 6.692 4.032
64 HA3 GLY 9 HA1 GLY 9 -2.065 5.423 4.442
65 H VAL 10 HN VAL 10 0.965 5.193 5.962
66 HA VAL 10 HA VAL 10 1.594 5.313 8.171
67 HB VAL 10 HB VAL 10 -0.063 7.843 8.060
68 HG11 VAL 10 HG11 VAL 10 1.925 6.733 10.027
69 HG12 VAL 10 HG12 VAL 10 0.443 7.640 10.325
70 HG13 VAL 10 HG13 VAL 10 1.883 8.476 9.760
71 HG21 VAL 10 HG21 VAL 10 2.829 7.271 7.350
72 HG22 VAL 10 HG22 VAL 10 2.165 8.894 7.534
73 HG23 VAL 10 HG23 VAL 10 1.560 7.832 6.262
74 H ALA 11 HN ALA 11 -1.275 4.376 7.284
75 HA ALA 11 HA ALA 11 -2.808 4.619 9.726
76 HB1 ALA 11 HB1 ALA 11 -3.248 2.831 7.322
77 HB2 ALA 11 HB2 ALA 11 -3.879 4.471 7.488
78 HB3 ALA 11 HB3 ALA 11 -4.428 3.200 8.580
79 H SER 12 HN SER 12 -0.068 3.099 9.276
80 HA SER 12 HA SER 12 -0.710 0.399 10.067
81 HB2 SER 12 HB2 SER 12 1.689 0.052 10.065
82 HB3 SER 12 HB1 SER 12 1.231 0.963 8.627
83 HG SER 12 HG SER 12 1.645 2.817 10.286
84 H LEU 13 HN LEU 13 -0.447 3.303 11.787
85 HA LEU 13 HA LEU 13 0.320 1.877 14.274
86 HB2 LEU 13 HB2 LEU 13 1.169 4.395 13.155
87 HB3 LEU 13 HB1 LEU 13 0.358 4.723 14.679
88 HG LEU 13 HG LEU 13 1.836 2.879 15.688
89 HD11 LEU 13 HD11 LEU 13 3.261 3.328 13.046
90 HD12 LEU 13 HD12 LEU 13 2.554 1.817 13.613
91 HD13 LEU 13 HD13 LEU 13 3.965 2.489 14.428
92 HD21 LEU 13 HD21 LEU 13 2.943 5.483 14.613
93 HD22 LEU 13 HD22 LEU 13 3.853 4.453 15.719
94 HD23 LEU 13 HD23 LEU 13 2.316 5.152 16.228
95 HA PRO 14 HA PRO 14 -3.500 4.718 15.456
96 HB2 PRO 14 HB2 PRO 14 -4.878 4.700 12.799
97 HB3 PRO 14 HB1 PRO 14 -4.770 5.997 14.005
98 HG2 PRO 14 HG2 PRO 14 -3.349 6.073 11.747
99 HG3 PRO 14 HG1 PRO 14 -2.696 6.686 13.277
100 HD2 PRO 14 HD2 PRO 14 -2.052 4.137 11.843
101 HD3 PRO 14 HD1 PRO 14 -1.000 5.182 12.817
102 H LEU 15 HN LEU 15 -3.958 2.336 12.833
103 HA LEU 15 HA LEU 15 -6.321 1.177 13.859
104 HB2 LEU 15 HB2 LEU 15 -4.167 0.076 12.048
105 HB3 LEU 15 HB1 LEU 15 -5.663 -0.784 12.407
106 HG LEU 15 HG LEU 15 -5.554 2.014 11.233
107 HD11 LEU 15 HD11 LEU 15 -6.320 0.813 9.132
108 HD12 LEU 15 HD12 LEU 15 -5.859 -0.696 9.919
109 HD13 LEU 15 HD13 LEU 15 -4.638 0.533 9.582
110 HD21 LEU 15 HD21 LEU 15 -7.991 1.151 10.575
111 HD22 LEU 15 HD22 LEU 15 -7.691 1.853 12.158
112 HD23 LEU 15 HD23 LEU 15 -7.762 0.101 11.972
113 H LEU 16 HN LEU 16 -2.907 0.389 14.307
114 HA LEU 16 HA LEU 16 -3.268 -1.960 15.837
115 HB2 LEU 16 HB2 LEU 16 -1.030 0.026 15.503
116 HB3 LEU 16 HB1 LEU 16 -0.901 -1.256 16.709
117 HG LEU 16 HG LEU 16 -1.290 -2.953 14.988
118 HD11 LEU 16 HD11 LEU 16 -2.702 -1.923 13.412
119 HD12 LEU 16 HD12 LEU 16 -1.174 -2.093 12.552
120 HD13 LEU 16 HD13 LEU 16 -1.639 -0.531 13.225
121 HD21 LEU 16 HD21 LEU 16 0.884 -0.930 14.380
122 HD22 LEU 16 HD22 LEU 16 0.798 -2.518 13.617
123 HD23 LEU 16 HD23 LEU 16 1.015 -2.390 15.362
124 H ASN 17 HN ASN 17 -3.031 1.455 16.700
125 HA ASN 17 HA ASN 17 -2.932 1.163 19.499
126 HB2 ASN 17 HB2 ASN 17 -2.441 3.278 18.335
127 HB3 ASN 17 HB1 ASN 17 -4.134 3.402 17.858
128 HD21 ASN 17 HD21 ASN 17 -4.664 5.271 19.123
129 HD22 ASN 17 HD22 ASN 17 -4.616 5.274 20.819
130 H VAL 18 HN VAL 18 -5.652 1.427 17.239
131 HA VAL 18 HA VAL 18 -7.699 1.524 19.197
132 HB VAL 18 HB VAL 18 -7.730 0.594 16.315
133 HG11 VAL 18 HG11 VAL 18 -10.230 1.025 16.566
134 HG12 VAL 18 HG12 VAL 18 -9.965 1.032 18.311
135 HG13 VAL 18 HG13 VAL 18 -9.625 -0.421 17.371
136 HG21 VAL 18 HG21 VAL 18 -8.772 3.154 17.559
137 HG22 VAL 18 HG22 VAL 18 -8.575 2.796 15.843
138 HG23 VAL 18 HG23 VAL 18 -7.156 3.010 16.867
139 H ILE 19 HN ILE 19 -6.240 -1.132 17.361
140 HA ILE 19 HA ILE 19 -7.840 -3.213 18.420
141 HB ILE 19 HB ILE 19 -5.060 -3.227 17.221
142 HG12 ILE 19 HG12 ILE 19 -7.694 -4.164 16.054
143 HG13 ILE 19 HG11 ILE 19 -7.063 -2.532 15.814
144 HG21 ILE 19 HG21 ILE 19 -5.640 -5.719 16.888
145 HG22 ILE 19 HG22 ILE 19 -6.862 -5.475 18.136
146 HG23 ILE 19 HG23 ILE 19 -5.159 -5.216 18.508
147 HD11 ILE 19 HD11 ILE 19 -4.997 -3.476 14.842
148 HD12 ILE 19 HD12 ILE 19 -6.421 -3.987 13.935
149 HD13 ILE 19 HD13 ILE 19 -5.643 -5.102 15.059
150 H ALA 20 HN ALA 20 -4.701 -1.871 19.353
151 HA ALA 20 HA ALA 20 -4.318 -3.709 21.530
152 HB1 ALA 20 HB1 ALA 20 -2.964 -1.089 20.843
153 HB2 ALA 20 HB2 ALA 20 -2.379 -2.714 20.481
154 HB3 ALA 20 HB3 ALA 20 -2.460 -2.156 22.153
155 HN1 NH2 21 H2 NH2 21 -5.779 -0.167 23.027
156 HN2 NH2 21 H1 NH2 21 -5.018 -0.169 21.509
Start of MODEL 38
1 H1 ACE 0 HA2 ACE 0 6.785 -4.842 0.742
2 H2 ACE 0 HA3 ACE 0 8.247 -5.154 -0.193
3 H3 ACE 0 HA1 ACE 0 6.727 -5.925 -0.649
4 H LEU 1 HN LEU 1 6.638 -5.066 -2.728
5 HA LEU 1 HA LEU 1 7.071 -2.354 -3.393
6 HB2 LEU 1 HB2 LEU 1 5.456 -4.520 -4.746
7 HB3 LEU 1 HB1 LEU 1 5.736 -2.935 -5.460
8 HG LEU 1 HG LEU 1 7.965 -4.777 -4.545
9 HD11 LEU 1 HD11 LEU 1 8.243 -5.384 -6.903
10 HD12 LEU 1 HD12 LEU 1 6.873 -4.365 -7.345
11 HD13 LEU 1 HD13 LEU 1 6.619 -5.806 -6.360
12 HD21 LEU 1 HD21 LEU 1 7.830 -2.126 -5.978
13 HD22 LEU 1 HD22 LEU 1 9.145 -3.235 -6.361
14 HD23 LEU 1 HD23 LEU 1 8.937 -2.656 -4.713
15 H GLY 2 HN GLY 2 4.144 -4.152 -2.539
16 HA2 GLY 2 HA2 GLY 2 2.626 -1.598 -2.412
17 HA3 GLY 2 HA1 GLY 2 1.912 -3.181 -2.709
18 H LEU 3 HN LEU 3 3.540 -4.515 -0.712
19 HA LEU 3 HA LEU 3 1.816 -4.263 1.499
20 HB2 LEU 3 HB2 LEU 3 4.529 -5.567 1.246
21 HB3 LEU 3 HB1 LEU 3 3.463 -5.751 2.639
22 HG LEU 3 HG LEU 3 2.691 -6.436 -0.214
23 HD11 LEU 3 HD11 LEU 3 3.030 -8.749 0.371
24 HD12 LEU 3 HD12 LEU 3 3.372 -8.330 2.050
25 HD13 LEU 3 HD13 LEU 3 4.506 -7.875 0.779
26 HD21 LEU 3 HD21 LEU 3 0.933 -7.805 1.289
27 HD22 LEU 3 HD22 LEU 3 0.639 -6.133 0.821
28 HD23 LEU 3 HD23 LEU 3 1.261 -6.499 2.429
29 H LEU 4 HN LEU 4 5.068 -2.965 0.904
30 HA LEU 4 HA LEU 4 5.518 -1.982 3.505
31 HB2 LEU 4 HB2 LEU 4 7.317 -2.140 1.861
32 HB3 LEU 4 HB1 LEU 4 6.514 -0.954 0.837
33 HG LEU 4 HG LEU 4 6.803 0.775 2.539
34 HD11 LEU 4 HD11 LEU 4 7.815 -1.545 4.181
35 HD12 LEU 4 HD12 LEU 4 6.648 -0.299 4.627
36 HD13 LEU 4 HD13 LEU 4 8.361 0.097 4.527
37 HD21 LEU 4 HD21 LEU 4 9.371 -0.775 2.092
38 HD22 LEU 4 HD22 LEU 4 9.250 0.943 2.474
39 HD23 LEU 4 HD23 LEU 4 8.645 0.337 0.932
40 H SER 5 HN SER 5 4.225 -0.316 0.618
41 HA SER 5 HA SER 5 3.676 2.132 1.954
42 HB2 SER 5 HB2 SER 5 3.801 2.244 -0.403
43 HB3 SER 5 HB1 SER 5 2.686 0.898 -0.612
44 HG SER 5 HG SER 5 1.970 3.330 0.655
45 H TYR 6 HN TYR 6 1.689 -0.671 1.147
46 HA TYR 6 HA TYR 6 -0.766 0.276 2.136
47 HB2 TYR 6 HB2 TYR 6 -0.706 -1.609 0.661
48 HB3 TYR 6 HB1 TYR 6 0.329 -2.509 1.763
49 HD1 TYR 6 HD2 TYR 6 -3.010 -0.796 1.675
50 HD2 TYR 6 HD1 TYR 6 -0.653 -4.024 3.253
51 HE1 TYR 6 HE2 TYR 6 -5.020 -1.718 2.799
52 HE2 TYR 6 HE1 TYR 6 -2.658 -4.945 4.371
53 HH TYR 6 HH TYR 6 -4.994 -4.862 4.316
54 H GLY 7 HN GLY 7 1.785 -1.648 3.710
55 HA2 GLY 7 HA2 GLY 7 0.334 -1.787 6.207
56 HA3 GLY 7 HA1 GLY 7 1.966 -2.372 5.911
57 H ALA 8 HN ALA 8 1.769 0.758 4.778
58 HA ALA 8 HA ALA 8 3.150 1.773 7.173
59 HB1 ALA 8 HB1 ALA 8 4.345 2.053 5.089
60 HB2 ALA 8 HB2 ALA 8 3.835 3.635 5.676
61 HB3 ALA 8 HB3 ALA 8 2.956 2.857 4.357
62 H GLY 9 HN GLY 9 0.285 1.505 7.364
63 HA2 GLY 9 HA2 GLY 9 -0.337 4.180 8.210
64 HA3 GLY 9 HA1 GLY 9 -1.252 3.713 6.777
65 H VAL 10 HN VAL 10 -1.462 0.984 7.321
66 HA VAL 10 HA VAL 10 -3.497 1.008 9.450
67 HB VAL 10 HB VAL 10 -3.899 -1.354 8.325
68 HG11 VAL 10 HG11 VAL 10 -4.575 1.263 6.951
69 HG12 VAL 10 HG12 VAL 10 -5.500 0.513 8.251
70 HG13 VAL 10 HG13 VAL 10 -5.401 -0.271 6.674
71 HG21 VAL 10 HG21 VAL 10 -2.658 0.148 6.021
72 HG22 VAL 10 HG22 VAL 10 -3.200 -1.530 6.056
73 HG23 VAL 10 HG23 VAL 10 -1.762 -1.049 6.955
74 H ALA 11 HN ALA 11 -0.632 -0.773 8.344
75 HA ALA 11 HA ALA 11 0.796 -2.211 9.429
76 HB1 ALA 11 HB1 ALA 11 1.142 -0.247 10.874
77 HB2 ALA 11 HB2 ALA 11 1.225 -1.743 11.803
78 HB3 ALA 11 HB3 ALA 11 -0.224 -0.740 11.875
79 H SER 12 HN SER 12 -1.620 -1.928 11.973
80 HA SER 12 HA SER 12 -3.021 -4.330 11.439
81 HB2 SER 12 HB2 SER 12 -0.791 -5.297 12.095
82 HB3 SER 12 HB1 SER 12 -0.987 -4.541 13.674
83 HG SER 12 HG SER 12 -3.224 -5.864 12.990
84 H LEU 13 HN LEU 13 -3.403 -1.581 12.212
85 HA LEU 13 HA LEU 13 -4.630 -0.282 13.637
86 HB2 LEU 13 HB2 LEU 13 -5.799 -3.014 14.142
87 HB3 LEU 13 HB1 LEU 13 -6.438 -1.570 14.919
88 HG LEU 13 HG LEU 13 -7.650 -2.193 12.814
89 HD11 LEU 13 HD11 LEU 13 -8.000 -0.002 12.171
90 HD12 LEU 13 HD12 LEU 13 -6.291 0.416 12.213
91 HD13 LEU 13 HD13 LEU 13 -7.202 0.268 13.717
92 HD21 LEU 13 HD21 LEU 13 -5.188 -1.277 11.326
93 HD22 LEU 13 HD22 LEU 13 -6.605 -2.116 10.698
94 HD23 LEU 13 HD23 LEU 13 -5.449 -2.980 11.707
95 HA PRO 14 HA PRO 14 -2.305 -1.659 17.466
96 HB2 PRO 14 HB2 PRO 14 0.163 -0.622 17.199
97 HB3 PRO 14 HB1 PRO 14 -0.276 -2.156 16.421
98 HG2 PRO 14 HG2 PRO 14 0.023 0.552 15.216
99 HG3 PRO 14 HG1 PRO 14 0.405 -1.035 14.531
100 HD2 PRO 14 HD2 PRO 14 -1.958 0.453 14.029
101 HD3 PRO 14 HD1 PRO 14 -1.684 -1.256 13.642
102 H LEU 15 HN LEU 15 -1.397 1.406 15.892
103 HA LEU 15 HA LEU 15 -1.394 2.981 18.235
104 HB2 LEU 15 HB2 LEU 15 -1.629 3.673 15.304
105 HB3 LEU 15 HB1 LEU 15 -1.508 4.893 16.568
106 HG LEU 15 HG LEU 15 0.516 2.658 16.242
107 HD11 LEU 15 HD11 LEU 15 0.659 3.854 14.192
108 HD12 LEU 15 HD12 LEU 15 1.929 4.536 15.204
109 HD13 LEU 15 HD13 LEU 15 0.412 5.408 14.988
110 HD21 LEU 15 HD21 LEU 15 0.799 3.595 18.392
111 HD22 LEU 15 HD22 LEU 15 0.370 5.216 17.850
112 HD23 LEU 15 HD23 LEU 15 1.933 4.525 17.420
113 H LEU 16 HN LEU 16 -3.845 2.350 15.774
114 HA LEU 16 HA LEU 16 -5.771 4.203 16.667
115 HB2 LEU 16 HB2 LEU 16 -5.890 1.658 15.069
116 HB3 LEU 16 HB1 LEU 16 -7.377 2.480 15.525
117 HG LEU 16 HG LEU 16 -6.464 3.118 13.254
118 HD11 LEU 16 HD11 LEU 16 -7.215 5.303 13.423
119 HD12 LEU 16 HD12 LEU 16 -6.383 5.601 14.945
120 HD13 LEU 16 HD13 LEU 16 -7.865 4.647 14.921
121 HD21 LEU 16 HD21 LEU 16 -4.477 4.445 13.087
122 HD22 LEU 16 HD22 LEU 16 -4.055 3.043 14.070
123 HD23 LEU 16 HD23 LEU 16 -4.354 4.601 14.842
124 H ASN 17 HN ASN 17 -5.110 0.853 17.579
125 HA ASN 17 HA ASN 17 -7.382 0.415 19.176
126 HB2 ASN 17 HB2 ASN 17 -5.908 -1.402 18.483
127 HB3 ASN 17 HB1 ASN 17 -4.594 -0.727 19.442
128 HD21 ASN 17 HD21 ASN 17 -4.363 -2.098 21.221
129 HD22 ASN 17 HD22 ASN 17 -5.644 -2.635 22.199
130 H VAL 18 HN VAL 18 -4.216 1.816 19.962
131 HA VAL 18 HA VAL 18 -4.598 2.004 22.755
132 HB VAL 18 HB VAL 18 -2.925 3.668 20.858
133 HG11 VAL 18 HG11 VAL 18 -3.083 3.628 23.881
134 HG12 VAL 18 HG12 VAL 18 -3.249 5.019 22.810
135 HG13 VAL 18 HG13 VAL 18 -1.678 4.243 23.010
136 HG21 VAL 18 HG21 VAL 18 -1.128 2.239 21.504
137 HG22 VAL 18 HG22 VAL 18 -2.484 1.158 21.186
138 HG23 VAL 18 HG23 VAL 18 -2.049 1.563 22.847
139 H ILE 19 HN ILE 19 -5.201 4.348 20.142
140 HA ILE 19 HA ILE 19 -6.254 6.380 21.830
141 HB ILE 19 HB ILE 19 -6.822 5.893 18.897
142 HG12 ILE 19 HG12 ILE 19 -4.415 5.997 19.266
143 HG13 ILE 19 HG11 ILE 19 -4.945 7.501 18.524
144 HG21 ILE 19 HG21 ILE 19 -6.946 8.417 20.573
145 HG22 ILE 19 HG22 ILE 19 -8.340 7.513 19.980
146 HG23 ILE 19 HG23 ILE 19 -7.258 8.314 18.840
147 HD11 ILE 19 HD11 ILE 19 -3.557 8.270 20.241
148 HD12 ILE 19 HD12 ILE 19 -4.052 6.995 21.350
149 HD13 ILE 19 HD13 ILE 19 -5.138 8.339 21.014
150 H ALA 20 HN ALA 20 -7.737 3.783 19.929
151 HA ALA 20 HA ALA 20 -10.427 4.483 20.545
152 HB1 ALA 20 HB1 ALA 20 -11.033 2.458 19.494
153 HB2 ALA 20 HB2 ALA 20 -9.486 1.700 19.872
154 HB3 ALA 20 HB3 ALA 20 -9.572 2.971 18.653
155 HN1 NH2 21 H2 NH2 21 -9.004 2.318 23.652
156 HN2 NH2 21 H1 NH2 21 -7.980 2.859 22.411
Start of MODEL 39
1 H1 ACE 0 HA2 ACE 0 -0.112 -1.827 0.599
2 H2 ACE 0 HA3 ACE 0 0.037 -1.779 -1.159
3 H3 ACE 0 HA1 ACE 0 1.432 -1.406 -0.146
4 H LEU 1 HN LEU 1 2.461 -3.099 -1.488
5 HA LEU 1 HA LEU 1 1.682 -5.815 -1.389
6 HB2 LEU 1 HB2 LEU 1 4.381 -4.513 -1.811
7 HB3 LEU 1 HB1 LEU 1 4.096 -6.241 -1.995
8 HG LEU 1 HG LEU 1 2.507 -4.143 -3.499
9 HD11 LEU 1 HD11 LEU 1 3.996 -4.755 -5.438
10 HD12 LEU 1 HD12 LEU 1 5.038 -5.607 -4.298
11 HD13 LEU 1 HD13 LEU 1 4.815 -3.864 -4.155
12 HD21 LEU 1 HD21 LEU 1 2.307 -6.239 -5.071
13 HD22 LEU 1 HD22 LEU 1 1.313 -6.172 -3.622
14 HD23 LEU 1 HD23 LEU 1 2.779 -7.151 -3.640
15 H GLY 2 HN GLY 2 3.801 -3.849 0.637
16 HA2 GLY 2 HA2 GLY 2 3.323 -5.032 3.054
17 HA3 GLY 2 HA1 GLY 2 4.593 -6.024 2.343
18 H LEU 3 HN LEU 3 6.027 -4.100 0.961
19 HA LEU 3 HA LEU 3 7.121 -2.403 3.142
20 HB2 LEU 3 HB2 LEU 3 8.535 -3.642 0.766
21 HB3 LEU 3 HB1 LEU 3 9.285 -2.596 1.969
22 HG LEU 3 HG LEU 3 7.932 -5.241 2.591
23 HD11 LEU 3 HD11 LEU 3 10.857 -4.507 2.275
24 HD12 LEU 3 HD12 LEU 3 9.940 -5.656 1.300
25 HD13 LEU 3 HD13 LEU 3 10.291 -6.016 2.990
26 HD21 LEU 3 HD21 LEU 3 9.337 -3.139 4.240
27 HD22 LEU 3 HD22 LEU 3 9.423 -4.828 4.741
28 HD23 LEU 3 HD23 LEU 3 7.859 -4.032 4.600
29 H LEU 4 HN LEU 4 5.481 -2.395 0.223
30 HA LEU 4 HA LEU 4 6.604 -0.197 -1.145
31 HB2 LEU 4 HB2 LEU 4 4.953 -1.774 -2.103
32 HB3 LEU 4 HB1 LEU 4 3.715 -1.100 -1.051
33 HG LEU 4 HG LEU 4 5.319 0.660 -2.920
34 HD11 LEU 4 HD11 LEU 4 3.516 0.414 -4.584
35 HD12 LEU 4 HD12 LEU 4 2.739 -0.796 -3.566
36 HD13 LEU 4 HD13 LEU 4 4.320 -1.126 -4.278
37 HD21 LEU 4 HD21 LEU 4 2.812 1.749 -2.773
38 HD22 LEU 4 HD22 LEU 4 4.114 2.162 -1.671
39 HD23 LEU 4 HD23 LEU 4 2.904 0.983 -1.189
40 H SER 5 HN SER 5 3.990 -0.392 1.249
41 HA SER 5 HA SER 5 4.230 2.537 1.696
42 HB2 SER 5 HB2 SER 5 2.071 2.011 0.730
43 HB3 SER 5 HB1 SER 5 1.820 0.723 1.907
44 HG SER 5 HG SER 5 0.781 2.463 2.732
45 H TYR 6 HN TYR 6 3.852 -0.656 3.126
46 HA TYR 6 HA TYR 6 4.096 -1.420 5.274
47 HB2 TYR 6 HB2 TYR 6 6.360 -0.417 4.804
48 HB3 TYR 6 HB1 TYR 6 5.814 1.035 5.642
49 HD1 TYR 6 HD1 TYR 6 6.540 -2.576 6.026
50 HD2 TYR 6 HD2 TYR 6 5.567 1.089 8.039
51 HE1 TYR 6 HE1 TYR 6 7.076 -3.633 8.203
52 HE2 TYR 6 HE2 TYR 6 6.101 0.035 10.220
53 HH TYR 6 HH TYR 6 7.817 -2.209 10.803
54 H GLY 7 HN GLY 7 2.319 1.123 4.511
55 HA2 GLY 7 HA2 GLY 7 1.043 1.266 7.099
56 HA3 GLY 7 HA1 GLY 7 1.801 2.774 6.593
57 H ALA 8 HN ALA 8 0.638 0.749 4.065
58 HA ALA 8 HA ALA 8 -1.145 2.717 3.081
59 HB1 ALA 8 HB1 ALA 8 -0.514 -0.132 2.393
60 HB2 ALA 8 HB2 ALA 8 -0.372 1.316 1.396
61 HB3 ALA 8 HB3 ALA 8 -1.956 0.603 1.688
62 H GLY 9 HN GLY 9 -1.497 0.491 5.602
63 HA2 GLY 9 HA2 GLY 9 -4.064 1.278 6.325
64 HA3 GLY 9 HA1 GLY 9 -4.249 -0.169 5.343
65 H VAL 10 HN VAL 10 -1.583 -1.157 6.306
66 HA VAL 10 HA VAL 10 -2.508 -2.784 8.415
67 HB VAL 10 HB VAL 10 0.314 -2.159 7.524
68 HG11 VAL 10 HG11 VAL 10 0.741 -4.425 8.658
69 HG12 VAL 10 HG12 VAL 10 -0.812 -4.187 9.460
70 HG13 VAL 10 HG13 VAL 10 0.502 -3.040 9.724
71 HG21 VAL 10 HG21 VAL 10 -1.166 -3.202 5.814
72 HG22 VAL 10 HG22 VAL 10 -1.515 -4.510 6.941
73 HG23 VAL 10 HG23 VAL 10 0.123 -4.291 6.324
74 H ALA 11 HN ALA 11 -0.404 0.081 8.417
75 HA ALA 11 HA ALA 11 0.056 0.083 11.222
76 HB1 ALA 11 HB1 ALA 11 1.587 1.293 9.854
77 HB2 ALA 11 HB2 ALA 11 0.714 2.496 10.803
78 HB3 ALA 11 HB3 ALA 11 0.287 2.228 9.113
79 H SER 12 HN SER 12 -2.748 0.633 9.516
80 HA SER 12 HA SER 12 -3.806 2.792 11.123
81 HB2 SER 12 HB2 SER 12 -5.408 0.940 9.369
82 HB3 SER 12 HB1 SER 12 -5.756 2.610 9.809
83 HG SER 12 HG SER 12 -4.889 2.626 7.767
84 H LEU 13 HN LEU 13 -3.316 -0.479 11.738
85 HA LEU 13 HA LEU 13 -5.689 -0.658 13.498
86 HB2 LEU 13 HB2 LEU 13 -4.349 -2.560 11.785
87 HB3 LEU 13 HB1 LEU 13 -4.290 -3.160 13.439
88 HG LEU 13 HG LEU 13 -6.863 -2.152 12.193
89 HD11 LEU 13 HD11 LEU 13 -6.217 -3.937 10.751
90 HD12 LEU 13 HD12 LEU 13 -7.342 -4.649 11.907
91 HD13 LEU 13 HD13 LEU 13 -5.606 -4.901 12.095
92 HD21 LEU 13 HD21 LEU 13 -6.210 -3.993 14.519
93 HD22 LEU 13 HD22 LEU 13 -7.839 -3.610 13.967
94 HD23 LEU 13 HD23 LEU 13 -6.817 -2.343 14.644
95 HA PRO 14 HA PRO 14 -1.922 -1.956 16.365
96 HB2 PRO 14 HB2 PRO 14 0.161 -0.249 15.050
97 HB3 PRO 14 HB1 PRO 14 0.332 -1.835 15.831
98 HG2 PRO 14 HG2 PRO 14 0.363 -1.583 13.174
99 HG3 PRO 14 HG1 PRO 14 -0.397 -2.977 13.964
100 HD2 PRO 14 HD2 PRO 14 -1.697 -0.611 12.670
101 HD3 PRO 14 HD1 PRO 14 -2.247 -2.294 12.759
102 H LEU 15 HN LEU 15 -1.638 1.271 14.844
103 HA LEU 15 HA LEU 15 -1.251 2.691 17.264
104 HB2 LEU 15 HB2 LEU 15 -2.243 3.560 14.546
105 HB3 LEU 15 HB1 LEU 15 -1.927 4.686 15.863
106 HG LEU 15 HG LEU 15 0.136 2.729 14.803
107 HD11 LEU 15 HD11 LEU 15 -0.471 4.255 13.005
108 HD12 LEU 15 HD12 LEU 15 1.103 4.730 13.648
109 HD13 LEU 15 HD13 LEU 15 -0.342 5.638 14.092
110 HD21 LEU 15 HD21 LEU 15 0.155 4.993 16.800
111 HD22 LEU 15 HD22 LEU 15 1.620 4.640 15.888
112 HD23 LEU 15 HD23 LEU 15 0.905 3.404 16.914
113 H LEU 16 HN LEU 16 -4.127 2.001 15.329
114 HA LEU 16 HA LEU 16 -5.945 3.527 16.858
115 HB2 LEU 16 HB2 LEU 16 -6.222 1.231 14.936
116 HB3 LEU 16 HB1 LEU 16 -7.632 1.813 15.817
117 HG LEU 16 HG LEU 16 -7.273 2.859 13.529
118 HD11 LEU 16 HD11 LEU 16 -8.451 3.950 15.641
119 HD12 LEU 16 HD12 LEU 16 -8.159 4.898 14.190
120 HD13 LEU 16 HD13 LEU 16 -7.080 5.058 15.570
121 HD21 LEU 16 HD21 LEU 16 -5.492 4.397 13.177
122 HD22 LEU 16 HD22 LEU 16 -4.735 2.981 13.903
123 HD23 LEU 16 HD23 LEU 16 -5.058 4.408 14.884
124 H ASN 17 HN ASN 17 -4.896 0.153 17.108
125 HA ASN 17 HA ASN 17 -6.750 -0.663 19.062
126 HB2 ASN 17 HB2 ASN 17 -5.298 -2.205 17.757
127 HB3 ASN 17 HB1 ASN 17 -3.911 -1.638 18.683
128 HD21 ASN 17 HD21 ASN 17 -7.055 -3.312 19.038
129 HD22 ASN 17 HD22 ASN 17 -6.645 -4.104 20.482
130 H VAL 18 HN VAL 18 -3.529 0.793 19.352
131 HA VAL 18 HA VAL 18 -3.341 0.646 22.175
132 HB VAL 18 HB VAL 18 -2.065 2.520 20.171
133 HG11 VAL 18 HG11 VAL 18 -1.614 2.170 23.144
134 HG12 VAL 18 HG12 VAL 18 -1.979 3.660 22.274
135 HG13 VAL 18 HG13 VAL 18 -0.407 2.885 22.076
136 HG21 VAL 18 HG21 VAL 18 -0.122 1.070 20.462
137 HG22 VAL 18 HG22 VAL 18 -1.514 0.090 20.005
138 HG23 VAL 18 HG23 VAL 18 -0.974 0.126 21.683
139 H ILE 19 HN ILE 19 -4.448 3.198 19.976
140 HA ILE 19 HA ILE 19 -5.094 5.105 21.967
141 HB ILE 19 HB ILE 19 -6.131 4.710 19.151
142 HG12 ILE 19 HG12 ILE 19 -4.197 6.756 20.270
143 HG13 ILE 19 HG11 ILE 19 -3.678 5.232 19.550
144 HG21 ILE 19 HG21 ILE 19 -7.807 6.009 20.223
145 HG22 ILE 19 HG22 ILE 19 -6.751 7.201 19.465
146 HG23 ILE 19 HG23 ILE 19 -6.622 6.883 21.196
147 HD11 ILE 19 HD11 ILE 19 -5.291 7.404 18.181
148 HD12 ILE 19 HD12 ILE 19 -4.893 5.844 17.461
149 HD13 ILE 19 HD13 ILE 19 -3.609 6.987 17.856
150 H ALA 20 HN ALA 20 -6.989 2.605 20.321
151 HA ALA 20 HA ALA 20 -9.473 3.237 21.547
152 HB1 ALA 20 HB1 ALA 20 -8.433 0.692 20.291
153 HB2 ALA 20 HB2 ALA 20 -9.478 1.904 19.550
154 HB3 ALA 20 HB3 ALA 20 -10.090 0.892 20.859
155 HN1 NH2 21 H2 NH2 21 -7.767 0.331 23.907
156 HN2 NH2 21 H1 NH2 21 -7.330 0.416 22.270
Start of MODEL 40
1 H1 ACE 0 HA2 ACE 0 6.816 -5.106 -2.723
2 H2 ACE 0 HA3 ACE 0 6.855 -6.011 -4.237
3 H3 ACE 0 HA1 ACE 0 5.693 -6.440 -2.981
4 H LEU 1 HN LEU 1 3.696 -5.784 -3.392
5 HA LEU 1 HA LEU 1 3.003 -3.995 -5.465
6 HB2 LEU 1 HB2 LEU 1 1.432 -5.045 -3.105
7 HB3 LEU 1 HB1 LEU 1 0.719 -4.070 -4.385
8 HG LEU 1 HG LEU 1 2.226 -6.649 -4.902
9 HD11 LEU 1 HD11 LEU 1 0.243 -7.072 -3.491
10 HD12 LEU 1 HD12 LEU 1 0.019 -7.719 -5.116
11 HD13 LEU 1 HD13 LEU 1 -0.764 -6.209 -4.653
12 HD21 LEU 1 HD21 LEU 1 2.139 -5.522 -6.955
13 HD22 LEU 1 HD22 LEU 1 0.605 -4.739 -6.583
14 HD23 LEU 1 HD23 LEU 1 0.641 -6.446 -7.014
15 H GLY 2 HN GLY 2 3.360 -3.613 -1.980
16 HA2 GLY 2 HA2 GLY 2 4.086 -1.580 -0.963
17 HA3 GLY 2 HA1 GLY 2 3.408 -0.680 -2.317
18 H LEU 3 HN LEU 3 1.285 -3.046 -1.622
19 HA LEU 3 HA LEU 3 -0.485 -1.233 -0.127
20 HB2 LEU 3 HB2 LEU 3 -1.029 -3.864 -1.522
21 HB3 LEU 3 HB1 LEU 3 -2.247 -2.871 -0.726
22 HG LEU 3 HG LEU 3 -0.486 -1.921 -3.004
23 HD11 LEU 3 HD11 LEU 3 -3.415 -2.698 -3.074
24 HD12 LEU 3 HD12 LEU 3 -2.107 -3.747 -3.621
25 HD13 LEU 3 HD13 LEU 3 -2.412 -2.217 -4.443
26 HD21 LEU 3 HD21 LEU 3 -1.171 0.037 -1.929
27 HD22 LEU 3 HD22 LEU 3 -2.680 -0.672 -1.358
28 HD23 LEU 3 HD23 LEU 3 -2.509 -0.199 -3.048
29 H LEU 4 HN LEU 4 1.774 -3.472 0.621
30 HA LEU 4 HA LEU 4 0.266 -4.645 2.880
31 HB2 LEU 4 HB2 LEU 4 1.769 -5.950 1.093
32 HB3 LEU 4 HB1 LEU 4 3.063 -5.482 2.183
33 HG LEU 4 HG LEU 4 2.301 -7.655 2.872
34 HD11 LEU 4 HD11 LEU 4 0.914 -5.808 4.808
35 HD12 LEU 4 HD12 LEU 4 2.670 -5.797 4.627
36 HD13 LEU 4 HD13 LEU 4 1.848 -7.266 5.146
37 HD21 LEU 4 HD21 LEU 4 -0.512 -6.741 3.417
38 HD22 LEU 4 HD22 LEU 4 0.096 -8.349 3.037
39 HD23 LEU 4 HD23 LEU 4 -0.080 -7.154 1.757
40 H SER 5 HN SER 5 3.134 -2.762 2.040
41 HA SER 5 HA SER 5 4.001 -2.500 4.789
42 HB2 SER 5 HB2 SER 5 4.938 -1.144 2.256
43 HB3 SER 5 HB1 SER 5 5.711 -0.983 3.832
44 HG SER 5 HG SER 5 6.492 -2.677 2.285
45 H TYR 6 HN TYR 6 1.602 -1.039 2.975
46 HA TYR 6 HA TYR 6 1.832 1.676 3.647
47 HB2 TYR 6 HB2 TYR 6 -0.413 1.902 2.949
48 HB3 TYR 6 HB1 TYR 6 0.218 0.563 1.995
49 HD1 TYR 6 HD1 TYR 6 0.008 -1.822 3.234
50 HD2 TYR 6 HD2 TYR 6 -2.501 1.586 3.963
51 HE1 TYR 6 HE1 TYR 6 -1.757 -3.314 4.129
52 HE2 TYR 6 HE2 TYR 6 -4.266 0.095 4.861
53 HH TYR 6 HH TYR 6 -4.960 -2.187 4.780
54 H GLY 7 HN GLY 7 0.110 -0.951 5.343
55 HA2 GLY 7 HA2 GLY 7 -0.104 0.808 7.734
56 HA3 GLY 7 HA1 GLY 7 -1.267 -0.442 7.315
57 H ALA 8 HN ALA 8 2.056 -1.223 6.797
58 HA ALA 8 HA ALA 8 1.928 -3.389 8.657
59 HB1 ALA 8 HB1 ALA 8 3.292 -3.649 6.696
60 HB2 ALA 8 HB2 ALA 8 4.367 -3.649 8.094
61 HB3 ALA 8 HB3 ALA 8 4.227 -2.205 7.092
62 H GLY 9 HN GLY 9 1.313 -1.901 10.498
63 HA2 GLY 9 HA2 GLY 9 1.966 -1.305 12.647
64 HA3 GLY 9 HA1 GLY 9 3.642 -1.504 12.165
65 H VAL 10 HN VAL 10 2.389 0.304 9.818
66 HA VAL 10 HA VAL 10 3.732 2.672 10.576
67 HB VAL 10 HB VAL 10 1.688 2.159 8.413
68 HG11 VAL 10 HG11 VAL 10 3.450 4.540 9.021
69 HG12 VAL 10 HG12 VAL 10 1.710 4.517 8.732
70 HG13 VAL 10 HG13 VAL 10 2.829 4.228 7.400
71 HG21 VAL 10 HG21 VAL 10 3.825 0.846 8.335
72 HG22 VAL 10 HG22 VAL 10 4.712 2.370 8.298
73 HG23 VAL 10 HG23 VAL 10 3.633 1.944 6.969
74 H ALA 11 HN ALA 11 0.251 1.914 10.436
75 HA ALA 11 HA ALA 11 -0.310 3.814 12.549
76 HB1 ALA 11 HB1 ALA 11 -1.959 5.091 11.117
77 HB2 ALA 11 HB2 ALA 11 -1.188 4.355 9.713
78 HB3 ALA 11 HB3 ALA 11 -0.257 5.410 10.775
79 H SER 12 HN SER 12 -1.415 1.544 10.121
80 HA SER 12 HA SER 12 -4.099 1.308 10.924
81 HB2 SER 12 HB2 SER 12 -3.136 0.449 8.783
82 HB3 SER 12 HB1 SER 12 -2.361 -0.841 9.698
83 HG SER 12 HG SER 12 -4.397 -1.472 8.855
84 H LEU 13 HN LEU 13 -1.258 0.359 12.565
85 HA LEU 13 HA LEU 13 -2.810 -1.552 14.223
86 HB2 LEU 13 HB2 LEU 13 -0.284 -1.865 12.893
87 HB3 LEU 13 HB1 LEU 13 0.015 -1.928 14.626
88 HG LEU 13 HG LEU 13 -2.161 -3.565 13.287
89 HD11 LEU 13 HD11 LEU 13 -0.564 -5.453 13.379
90 HD12 LEU 13 HD12 LEU 13 0.700 -4.348 13.920
91 HD13 LEU 13 HD13 LEU 13 0.008 -4.175 12.306
92 HD21 LEU 13 HD21 LEU 13 -2.426 -3.312 15.693
93 HD22 LEU 13 HD22 LEU 13 -0.730 -3.703 15.961
94 HD23 LEU 13 HD23 LEU 13 -1.836 -4.941 15.370
95 HA PRO 14 HA PRO 14 -0.203 0.945 17.402
96 HB2 PRO 14 HB2 PRO 14 0.688 3.370 15.940
97 HB3 PRO 14 HB1 PRO 14 1.624 2.283 16.983
98 HG2 PRO 14 HG2 PRO 14 1.962 2.341 14.322
99 HG3 PRO 14 HG1 PRO 14 2.128 0.844 15.258
100 HD2 PRO 14 HD2 PRO 14 -0.188 1.761 13.577
101 HD3 PRO 14 HD1 PRO 14 0.522 0.152 13.718
102 H LEU 15 HN LEU 15 -1.240 3.477 15.102
103 HA LEU 15 HA LEU 15 -2.661 4.992 17.018
104 HB2 LEU 15 HB2 LEU 15 -2.825 4.910 14.000
105 HB3 LEU 15 HB1 LEU 15 -3.686 6.086 14.988
106 HG LEU 15 HG LEU 15 -0.682 5.679 15.092
107 HD11 LEU 15 HD11 LEU 15 -1.238 6.464 12.877
108 HD12 LEU 15 HD12 LEU 15 -0.616 7.836 13.791
109 HD13 LEU 15 HD13 LEU 15 -2.351 7.667 13.528
110 HD21 LEU 15 HD21 LEU 15 -1.218 6.782 17.081
111 HD22 LEU 15 HD22 LEU 15 -2.625 7.586 16.389
112 HD23 LEU 15 HD23 LEU 15 -1.003 8.158 16.006
113 H LEU 16 HN LEU 16 -3.673 2.525 14.706
114 HA LEU 16 HA LEU 16 -6.447 2.758 15.084
115 HB2 LEU 16 HB2 LEU 16 -5.376 1.497 13.235
116 HB3 LEU 16 HB1 LEU 16 -4.842 0.287 14.398
117 HG LEU 16 HG LEU 16 -7.209 -0.172 14.990
118 HD11 LEU 16 HD11 LEU 16 -8.866 0.778 13.149
119 HD12 LEU 16 HD12 LEU 16 -7.660 2.059 13.016
120 HD13 LEU 16 HD13 LEU 16 -8.460 1.753 14.559
121 HD21 LEU 16 HD21 LEU 16 -7.824 -1.182 12.742
122 HD22 LEU 16 HD22 LEU 16 -6.208 -1.585 13.319
123 HD23 LEU 16 HD23 LEU 16 -6.418 -0.356 12.071
124 H ASN 17 HN ASN 17 -4.003 0.789 16.737
125 HA ASN 17 HA ASN 17 -5.772 -0.653 18.401
126 HB2 ASN 17 HB2 ASN 17 -2.850 0.066 18.593
127 HB3 ASN 17 HB1 ASN 17 -3.654 -0.810 19.895
128 HD21 ASN 17 HD21 ASN 17 -1.578 -2.065 18.437
129 HD22 ASN 17 HD22 ASN 17 -2.242 -3.306 17.488
130 H VAL 18 HN VAL 18 -4.119 2.454 18.820
131 HA VAL 18 HA VAL 18 -4.896 2.899 21.506
132 HB VAL 18 HB VAL 18 -4.193 4.831 19.283
133 HG11 VAL 18 HG11 VAL 18 -4.747 5.266 22.224
134 HG12 VAL 18 HG12 VAL 18 -5.459 6.107 20.847
135 HG13 VAL 18 HG13 VAL 18 -3.772 6.390 21.276
136 HG21 VAL 18 HG21 VAL 18 -2.018 4.866 20.296
137 HG22 VAL 18 HG22 VAL 18 -2.463 3.167 20.143
138 HG23 VAL 18 HG23 VAL 18 -2.590 3.975 21.705
139 H ILE 19 HN ILE 19 -6.341 3.846 18.405
140 HA ILE 19 HA ILE 19 -8.536 5.276 19.479
141 HB ILE 19 HB ILE 19 -8.175 3.837 16.838
142 HG12 ILE 19 HG12 ILE 19 -8.159 6.797 17.480
143 HG13 ILE 19 HG11 ILE 19 -6.694 5.817 17.436
144 HG21 ILE 19 HG21 ILE 19 -10.091 5.391 16.147
145 HG22 ILE 19 HG22 ILE 19 -10.394 5.619 17.870
146 HG23 ILE 19 HG23 ILE 19 -10.537 4.013 17.155
147 HD11 ILE 19 HD11 ILE 19 -7.314 7.062 15.272
148 HD12 ILE 19 HD12 ILE 19 -8.624 5.891 15.113
149 HD13 ILE 19 HD13 ILE 19 -6.947 5.343 15.123
150 H ALA 20 HN ALA 20 -8.102 1.902 18.500
151 HA ALA 20 HA ALA 20 -10.776 1.080 19.003
152 HB1 ALA 20 HB1 ALA 20 -8.283 -0.631 19.101
153 HB2 ALA 20 HB2 ALA 20 -9.105 -0.174 17.610
154 HB3 ALA 20 HB3 ALA 20 -9.936 -1.172 18.804
155 HN1 NH2 21 H2 NH2 21 -8.687 0.682 22.508
156 HN2 NH2 21 H1 NH2 21 -7.846 1.034 21.076
Start of MODEL 41
1 H1 ACE 0 HA2 ACE 0 3.718 -4.294 2.465
2 H2 ACE 0 HA3 ACE 0 2.617 -5.599 2.020
3 H3 ACE 0 HA1 ACE 0 2.703 -4.142 1.030
4 H LEU 1 HN LEU 1 3.290 -5.195 -0.870
5 HA LEU 1 HA LEU 1 5.319 -7.141 -1.108
6 HB2 LEU 1 HB2 LEU 1 4.169 -5.178 -3.097
7 HB3 LEU 1 HB1 LEU 1 5.316 -6.437 -3.538
8 HG LEU 1 HG LEU 1 2.708 -7.020 -2.108
9 HD11 LEU 1 HD11 LEU 1 1.846 -7.681 -4.353
10 HD12 LEU 1 HD12 LEU 1 3.310 -7.020 -5.081
11 HD13 LEU 1 HD13 LEU 1 2.184 -5.954 -4.241
12 HD21 LEU 1 HD21 LEU 1 3.194 -9.284 -3.360
13 HD22 LEU 1 HD22 LEU 1 4.084 -8.921 -1.886
14 HD23 LEU 1 HD23 LEU 1 4.847 -8.679 -3.456
15 H GLY 2 HN GLY 2 5.376 -3.610 -1.430
16 HA2 GLY 2 HA2 GLY 2 8.328 -3.682 -1.165
17 HA3 GLY 2 HA1 GLY 2 7.566 -2.700 -2.410
18 H LEU 3 HN LEU 3 6.130 -3.136 0.751
19 HA LEU 3 HA LEU 3 5.444 -1.539 2.269
20 HB2 LEU 3 HB2 LEU 3 8.358 -0.775 1.978
21 HB3 LEU 3 HB1 LEU 3 7.318 -0.390 3.350
22 HG LEU 3 HG LEU 3 7.994 -3.200 2.418
23 HD11 LEU 3 HD11 LEU 3 9.329 -3.280 4.522
24 HD12 LEU 3 HD12 LEU 3 9.009 -1.562 4.762
25 HD13 LEU 3 HD13 LEU 3 9.953 -2.098 3.371
26 HD21 LEU 3 HD21 LEU 3 5.920 -3.390 3.517
27 HD22 LEU 3 HD22 LEU 3 6.275 -2.068 4.630
28 HD23 LEU 3 HD23 LEU 3 7.058 -3.634 4.840
29 H LEU 4 HN LEU 4 5.230 -0.821 -0.586
30 HA LEU 4 HA LEU 4 5.882 1.911 -0.980
31 HB2 LEU 4 HB2 LEU 4 3.702 0.168 -2.156
32 HB3 LEU 4 HB1 LEU 4 4.031 1.808 -2.704
33 HG LEU 4 HG LEU 4 6.119 -0.391 -2.643
34 HD11 LEU 4 HD11 LEU 4 4.377 0.568 -4.932
35 HD12 LEU 4 HD12 LEU 4 4.323 -1.025 -4.177
36 HD13 LEU 4 HD13 LEU 4 5.745 -0.533 -5.099
37 HD21 LEU 4 HD21 LEU 4 6.033 2.453 -3.649
38 HD22 LEU 4 HD22 LEU 4 7.059 1.281 -4.474
39 HD23 LEU 4 HD23 LEU 4 7.312 1.621 -2.767
40 H SER 5 HN SER 5 3.111 0.216 0.341
41 HA SER 5 HA SER 5 1.939 2.768 1.278
42 HB2 SER 5 HB2 SER 5 0.703 0.871 -0.201
43 HB3 SER 5 HB1 SER 5 0.356 0.248 1.408
44 HG SER 5 HG SER 5 -0.693 2.367 0.117
45 H TYR 6 HN TYR 6 3.947 0.417 2.241
46 HA TYR 6 HA TYR 6 4.545 -0.553 4.229
47 HB2 TYR 6 HB2 TYR 6 5.017 1.828 4.663
48 HB3 TYR 6 HB1 TYR 6 3.387 2.027 5.303
49 HD1 TYR 6 HD2 TYR 6 6.522 0.039 5.749
50 HD2 TYR 6 HD1 TYR 6 2.927 1.525 7.574
51 HE1 TYR 6 HE2 TYR 6 7.302 -0.782 7.955
52 HE2 TYR 6 HE1 TYR 6 3.709 0.705 9.780
53 HH TYR 6 HH TYR 6 5.291 -1.084 10.618
54 H GLY 7 HN GLY 7 2.342 -1.717 3.388
55 HA2 GLY 7 HA2 GLY 7 0.735 -3.161 4.223
56 HA3 GLY 7 HA1 GLY 7 1.024 -2.498 5.829
57 H ALA 8 HN ALA 8 0.445 -0.244 3.322
58 HA ALA 8 HA ALA 8 -1.242 1.285 3.001
59 HB1 ALA 8 HB1 ALA 8 -2.267 -0.781 2.046
60 HB2 ALA 8 HB2 ALA 8 -3.448 0.368 2.675
61 HB3 ALA 8 HB3 ALA 8 -3.031 -1.069 3.607
62 H GLY 9 HN GLY 9 -0.485 0.217 5.935
63 HA2 GLY 9 HA2 GLY 9 -0.834 1.231 7.991
64 HA3 GLY 9 HA1 GLY 9 -2.079 2.231 7.251
65 H VAL 10 HN VAL 10 -2.143 -1.242 6.930
66 HA VAL 10 HA VAL 10 -4.777 -1.465 7.926
67 HB VAL 10 HB VAL 10 -2.620 -3.529 7.439
68 HG11 VAL 10 HG11 VAL 10 -4.630 -5.131 7.501
69 HG12 VAL 10 HG12 VAL 10 -5.486 -3.846 8.354
70 HG13 VAL 10 HG13 VAL 10 -4.034 -4.554 9.058
71 HG21 VAL 10 HG21 VAL 10 -3.780 -3.942 5.401
72 HG22 VAL 10 HG22 VAL 10 -3.715 -2.186 5.535
73 HG23 VAL 10 HG23 VAL 10 -5.200 -3.044 5.936
74 H ALA 11 HN ALA 11 -1.627 -2.218 9.400
75 HA ALA 11 HA ALA 11 -2.821 -2.998 11.913
76 HB1 ALA 11 HB1 ALA 11 0.018 -2.558 10.992
77 HB2 ALA 11 HB2 ALA 11 -0.779 -4.085 11.372
78 HB3 ALA 11 HB3 ALA 11 -0.380 -2.952 12.664
79 H SER 12 HN SER 12 -1.970 -0.059 10.432
80 HA SER 12 HA SER 12 -1.288 1.427 12.787
81 HB2 SER 12 HB2 SER 12 -0.562 2.126 10.534
82 HB3 SER 12 HB1 SER 12 -2.242 2.400 10.085
83 HG SER 12 HG SER 12 -0.565 4.023 11.374
84 H LEU 13 HN LEU 13 -4.141 0.049 11.886
85 HA LEU 13 HA LEU 13 -5.845 2.256 12.821
86 HB2 LEU 13 HB2 LEU 13 -6.225 -0.156 11.146
87 HB3 LEU 13 HB1 LEU 13 -7.571 0.193 12.226
88 HG LEU 13 HG LEU 13 -7.605 2.539 11.334
89 HD11 LEU 13 HD11 LEU 13 -5.856 1.563 9.076
90 HD12 LEU 13 HD12 LEU 13 -5.131 2.291 10.506
91 HD13 LEU 13 HD13 LEU 13 -6.265 3.215 9.528
92 HD21 LEU 13 HD21 LEU 13 -8.775 1.961 9.321
93 HD22 LEU 13 HD22 LEU 13 -9.012 0.615 10.435
94 HD23 LEU 13 HD23 LEU 13 -7.838 0.480 9.127
95 HA PRO 14 HA PRO 14 -7.268 -1.116 15.944
96 HB2 PRO 14 HB2 PRO 14 -5.713 -3.407 16.107
97 HB3 PRO 14 HB1 PRO 14 -7.179 -3.262 15.117
98 HG2 PRO 14 HG2 PRO 14 -4.319 -2.957 14.297
99 HG3 PRO 14 HG1 PRO 14 -5.632 -3.832 13.486
100 HD2 PRO 14 HD2 PRO 14 -4.891 -1.403 12.631
101 HD3 PRO 14 HD1 PRO 14 -6.608 -1.868 12.660
102 H LEU 15 HN LEU 15 -3.739 -1.054 15.426
103 HA LEU 15 HA LEU 15 -2.991 -1.271 18.133
104 HB2 LEU 15 HB2 LEU 15 -1.601 0.021 15.780
105 HB3 LEU 15 HB1 LEU 15 -0.847 -0.190 17.358
106 HG LEU 15 HG LEU 15 -2.030 -2.461 15.734
107 HD11 LEU 15 HD11 LEU 15 0.281 -3.032 15.137
108 HD12 LEU 15 HD12 LEU 15 0.874 -1.625 16.021
109 HD13 LEU 15 HD13 LEU 15 -0.109 -1.407 14.573
110 HD21 LEU 15 HD21 LEU 15 -0.281 -3.668 17.367
111 HD22 LEU 15 HD22 LEU 15 -1.919 -3.310 17.897
112 HD23 LEU 15 HD23 LEU 15 -0.591 -2.252 18.370
113 H LEU 16 HN LEU 16 -3.633 1.568 16.111
114 HA LEU 16 HA LEU 16 -2.981 3.481 18.108
115 HB2 LEU 16 HB2 LEU 16 -4.469 3.559 15.501
116 HB3 LEU 16 HB1 LEU 16 -4.559 4.951 16.579
117 HG LEU 16 HG LEU 16 -2.110 5.104 16.620
118 HD11 LEU 16 HD11 LEU 16 -0.896 3.631 14.863
119 HD12 LEU 16 HD12 LEU 16 -2.320 2.597 14.956
120 HD13 LEU 16 HD13 LEU 16 -1.348 2.885 16.396
121 HD21 LEU 16 HD21 LEU 16 -1.798 5.487 14.056
122 HD22 LEU 16 HD22 LEU 16 -3.014 6.441 14.904
123 HD23 LEU 16 HD23 LEU 16 -3.502 5.047 13.940
124 H ASN 17 HN ASN 17 -5.990 1.858 17.209
125 HA ASN 17 HA ASN 17 -7.737 3.373 18.816
126 HB2 ASN 17 HB2 ASN 17 -8.566 1.837 17.112
127 HB3 ASN 17 HB1 ASN 17 -7.894 0.465 17.991
128 HD21 ASN 17 HD21 ASN 17 -10.258 3.151 18.385
129 HD22 ASN 17 HD22 ASN 17 -11.267 2.300 19.454
130 H VAL 18 HN VAL 18 -5.796 0.491 19.520
131 HA VAL 18 HA VAL 18 -6.789 0.059 22.141
132 HB VAL 18 HB VAL 18 -4.148 -0.673 20.852
133 HG11 VAL 18 HG11 VAL 18 -3.720 -0.703 23.194
134 HG12 VAL 18 HG12 VAL 18 -4.113 -2.372 22.781
135 HG13 VAL 18 HG13 VAL 18 -5.321 -1.346 23.556
136 HG21 VAL 18 HG21 VAL 18 -6.361 -1.638 19.987
137 HG22 VAL 18 HG22 VAL 18 -6.506 -2.435 21.554
138 HG23 VAL 18 HG23 VAL 18 -5.147 -2.813 20.497
139 H ILE 19 HN ILE 19 -3.979 1.830 20.895
140 HA ILE 19 HA ILE 19 -2.979 2.671 23.405
141 HB ILE 19 HB ILE 19 -2.668 3.832 20.629
142 HG12 ILE 19 HG12 ILE 19 -0.724 2.264 22.340
143 HG13 ILE 19 HG11 ILE 19 -1.787 1.509 21.153
144 HG21 ILE 19 HG21 ILE 19 -1.396 4.571 23.271
145 HG22 ILE 19 HG22 ILE 19 -2.183 5.637 22.107
146 HG23 ILE 19 HG23 ILE 19 -0.615 4.925 21.729
147 HD11 ILE 19 HD11 ILE 19 -0.815 3.055 19.415
148 HD12 ILE 19 HD12 ILE 19 0.345 1.908 20.084
149 HD13 ILE 19 HD13 ILE 19 0.355 3.587 20.623
150 H ALA 20 HN ALA 20 -5.177 4.175 21.073
151 HA ALA 20 HA ALA 20 -5.538 6.541 22.715
152 HB1 ALA 20 HB1 ALA 20 -7.179 7.188 20.993
153 HB2 ALA 20 HB2 ALA 20 -7.013 5.601 20.242
154 HB3 ALA 20 HB3 ALA 20 -5.642 6.712 20.272
155 HN1 NH2 21 H2 NH2 21 -8.839 4.107 22.976
156 HN2 NH2 21 H1 NH2 21 -7.843 3.990 21.609
Start of MODEL 42
1 H1 ACE 0 HA2 ACE 0 2.609 -8.907 4.948
2 H2 ACE 0 HA3 ACE 0 2.021 -7.267 4.678
3 H3 ACE 0 HA1 ACE 0 3.710 -7.539 5.107
4 H LEU 1 HN LEU 1 5.121 -7.554 3.479
5 HA LEU 1 HA LEU 1 5.865 -7.285 1.297
6 HB2 LEU 1 HB2 LEU 1 4.412 -9.934 1.216
7 HB3 LEU 1 HB1 LEU 1 5.544 -9.387 -0.018
8 HG LEU 1 HG LEU 1 6.245 -9.630 2.921
9 HD11 LEU 1 HD11 LEU 1 5.745 -11.847 2.114
10 HD12 LEU 1 HD12 LEU 1 7.501 -11.688 2.158
11 HD13 LEU 1 HD13 LEU 1 6.643 -11.565 0.623
12 HD21 LEU 1 HD21 LEU 1 7.772 -8.938 0.413
13 HD22 LEU 1 HD22 LEU 1 8.610 -9.759 1.729
14 HD23 LEU 1 HD23 LEU 1 7.853 -8.196 2.011
15 H GLY 2 HN GLY 2 3.279 -5.997 1.768
16 HA2 GLY 2 HA2 GLY 2 2.606 -5.149 -0.764
17 HA3 GLY 2 HA1 GLY 2 1.565 -6.538 -0.468
18 H LEU 3 HN LEU 3 1.451 -5.976 2.441
19 HA LEU 3 HA LEU 3 -0.736 -4.051 2.343
20 HB2 LEU 3 HB2 LEU 3 0.348 -5.637 4.682
21 HB3 LEU 3 HB1 LEU 3 -1.175 -4.753 4.635
22 HG LEU 3 HG LEU 3 -0.466 -7.082 2.823
23 HD11 LEU 3 HD11 LEU 3 -1.921 -8.414 4.183
24 HD12 LEU 3 HD12 LEU 3 -2.475 -7.005 5.086
25 HD13 LEU 3 HD13 LEU 3 -0.825 -7.592 5.292
26 HD21 LEU 3 HD21 LEU 3 -2.874 -5.278 3.094
27 HD22 LEU 3 HD22 LEU 3 -3.068 -6.933 2.514
28 HD23 LEU 3 HD23 LEU 3 -2.048 -5.805 1.627
29 H LEU 4 HN LEU 4 2.554 -3.886 2.768
30 HA LEU 4 HA LEU 4 2.842 -2.084 4.924
31 HB2 LEU 4 HB2 LEU 4 4.534 -2.561 2.467
32 HB3 LEU 4 HB1 LEU 4 5.025 -1.520 3.799
33 HG LEU 4 HG LEU 4 4.247 -4.432 4.145
34 HD11 LEU 4 HD11 LEU 4 6.725 -4.803 4.365
35 HD12 LEU 4 HD12 LEU 4 6.974 -3.155 3.790
36 HD13 LEU 4 HD13 LEU 4 6.216 -4.350 2.738
37 HD21 LEU 4 HD21 LEU 4 5.338 -2.278 5.956
38 HD22 LEU 4 HD22 LEU 4 5.773 -3.958 6.262
39 HD23 LEU 4 HD23 LEU 4 4.083 -3.473 6.276
40 H SER 5 HN SER 5 2.322 -1.556 1.460
41 HA SER 5 HA SER 5 2.707 1.226 1.430
42 HB2 SER 5 HB2 SER 5 2.613 -0.163 -0.599
43 HB3 SER 5 HB1 SER 5 0.894 -0.436 -0.330
44 HG SER 5 HG SER 5 0.520 1.728 -0.645
45 H TYR 6 HN TYR 6 0.027 -0.636 2.620
46 HA TYR 6 HA TYR 6 -2.030 1.276 2.323
47 HB2 TYR 6 HB2 TYR 6 -1.593 -0.970 4.288
48 HB3 TYR 6 HB1 TYR 6 -3.013 0.068 4.374
49 HD1 TYR 6 HD1 TYR 6 -1.042 -1.816 1.784
50 HD2 TYR 6 HD2 TYR 6 -4.919 -0.637 3.211
51 HE1 TYR 6 HE1 TYR 6 -2.108 -3.149 -0.012
52 HE2 TYR 6 HE2 TYR 6 -5.985 -1.969 1.411
53 HH TYR 6 HH TYR 6 -5.510 -2.934 -0.687
54 H GLY 7 HN GLY 7 0.347 0.759 4.910
55 HA2 GLY 7 HA2 GLY 7 1.057 3.140 5.725
56 HA3 GLY 7 HA1 GLY 7 -0.604 3.177 6.306
57 H ALA 8 HN ALA 8 2.060 0.792 6.313
58 HA ALA 8 HA ALA 8 1.321 -0.075 8.998
59 HB1 ALA 8 HB1 ALA 8 1.982 -1.752 7.329
60 HB2 ALA 8 HB2 ALA 8 3.107 -1.742 8.689
61 HB3 ALA 8 HB3 ALA 8 3.558 -0.976 7.164
62 H GLY 9 HN GLY 9 2.988 2.486 7.855
63 HA2 GLY 9 HA2 GLY 9 4.886 2.515 10.147
64 HA3 GLY 9 HA1 GLY 9 5.270 3.209 8.574
65 H VAL 10 HN VAL 10 2.212 3.890 8.656
66 HA VAL 10 HA VAL 10 2.514 6.629 9.273
67 HB VAL 10 HB VAL 10 0.018 4.943 8.988
68 HG11 VAL 10 HG11 VAL 10 -1.022 7.216 8.507
69 HG12 VAL 10 HG12 VAL 10 0.444 7.934 9.175
70 HG13 VAL 10 HG13 VAL 10 -0.587 6.928 10.191
71 HG21 VAL 10 HG21 VAL 10 1.508 5.060 6.993
72 HG22 VAL 10 HG22 VAL 10 1.419 6.819 7.058
73 HG23 VAL 10 HG23 VAL 10 -0.032 5.874 6.723
74 H ALA 11 HN ALA 11 1.122 3.912 11.055
75 HA ALA 11 HA ALA 11 1.118 3.598 13.374
76 HB1 ALA 11 HB1 ALA 11 1.229 6.558 13.900
77 HB2 ALA 11 HB2 ALA 11 2.703 5.692 13.459
78 HB3 ALA 11 HB3 ALA 11 1.801 5.223 14.900
79 H SER 12 HN SER 12 -0.757 5.627 11.427
80 HA SER 12 HA SER 12 -2.928 5.955 13.354
81 HB2 SER 12 HB2 SER 12 -2.947 6.616 10.408
82 HB3 SER 12 HB1 SER 12 -4.015 7.242 11.660
83 HG SER 12 HG SER 12 -2.518 8.611 12.238
84 H LEU 13 HN LEU 13 -1.856 3.556 11.254
85 HA LEU 13 HA LEU 13 -4.581 2.441 10.922
86 HB2 LEU 13 HB2 LEU 13 -2.230 2.586 9.157
87 HB3 LEU 13 HB1 LEU 13 -2.915 0.965 9.240
88 HG LEU 13 HG LEU 13 -5.163 1.952 8.718
89 HD11 LEU 13 HD11 LEU 13 -3.481 4.458 8.507
90 HD12 LEU 13 HD12 LEU 13 -4.949 4.212 9.452
91 HD13 LEU 13 HD13 LEU 13 -5.037 4.302 7.694
92 HD21 LEU 13 HD21 LEU 13 -4.548 2.558 6.318
93 HD22 LEU 13 HD22 LEU 13 -3.943 1.001 6.886
94 HD23 LEU 13 HD23 LEU 13 -2.860 2.390 6.801
95 HA PRO 14 HA PRO 14 -2.186 -1.279 12.561
96 HB2 PRO 14 HB2 PRO 14 0.410 -1.129 13.315
97 HB3 PRO 14 HB1 PRO 14 -0.072 -1.324 11.617
98 HG2 PRO 14 HG2 PRO 14 0.867 1.115 13.046
99 HG3 PRO 14 HG1 PRO 14 1.174 0.594 11.381
100 HD2 PRO 14 HD2 PRO 14 -0.746 2.496 12.148
101 HD3 PRO 14 HD1 PRO 14 -0.713 1.645 10.592
102 H LEU 15 HN LEU 15 -0.369 1.243 14.345
103 HA LEU 15 HA LEU 15 -0.843 0.125 16.887
104 HB2 LEU 15 HB2 LEU 15 -0.073 2.920 16.040
105 HB3 LEU 15 HB1 LEU 15 -0.132 2.401 17.724
106 HG LEU 15 HG LEU 15 1.514 1.008 15.590
107 HD11 LEU 15 HD11 LEU 15 2.217 3.217 17.527
108 HD12 LEU 15 HD12 LEU 15 2.475 3.168 15.782
109 HD13 LEU 15 HD13 LEU 15 3.443 2.149 16.846
110 HD21 LEU 15 HD21 LEU 15 1.148 0.672 18.562
111 HD22 LEU 15 HD22 LEU 15 2.730 0.327 17.864
112 HD23 LEU 15 HD23 LEU 15 1.314 -0.557 17.309
113 H LEU 16 HN LEU 16 -2.531 2.656 15.081
114 HA LEU 16 HA LEU 16 -4.276 3.457 17.134
115 HB2 LEU 16 HB2 LEU 16 -3.964 4.748 15.065
116 HB3 LEU 16 HB1 LEU 16 -4.727 3.458 14.139
117 HG LEU 16 HG LEU 16 -6.828 3.787 15.383
118 HD11 LEU 16 HD11 LEU 16 -6.857 6.030 16.770
119 HD12 LEU 16 HD12 LEU 16 -5.124 5.738 16.923
120 HD13 LEU 16 HD13 LEU 16 -6.278 4.548 17.527
121 HD21 LEU 16 HD21 LEU 16 -7.305 6.130 14.553
122 HD22 LEU 16 HD22 LEU 16 -6.584 5.061 13.352
123 HD23 LEU 16 HD23 LEU 16 -5.591 6.270 14.164
124 H ASN 17 HN ASN 17 -4.514 0.891 14.710
125 HA ASN 17 HA ASN 17 -7.184 0.139 15.194
126 HB2 ASN 17 HB2 ASN 17 -5.941 -0.649 13.245
127 HB3 ASN 17 HB1 ASN 17 -4.844 -1.552 14.286
128 HD21 ASN 17 HD21 ASN 17 -6.212 -3.026 12.386
129 HD22 ASN 17 HD22 ASN 17 -7.435 -3.946 13.120
130 H VAL 18 HN VAL 18 -4.151 -0.842 16.744
131 HA VAL 18 HA VAL 18 -5.191 -2.925 18.331
132 HB VAL 18 HB VAL 18 -2.862 -1.049 18.800
133 HG11 VAL 18 HG11 VAL 18 -3.436 -1.904 20.953
134 HG12 VAL 18 HG12 VAL 18 -2.131 -2.936 20.371
135 HG13 VAL 18 HG13 VAL 18 -3.798 -3.503 20.303
136 HG21 VAL 18 HG21 VAL 18 -1.572 -3.093 18.114
137 HG22 VAL 18 HG22 VAL 18 -2.595 -2.451 16.830
138 HG23 VAL 18 HG23 VAL 18 -3.103 -3.879 17.732
139 H ILE 19 HN ILE 19 -4.771 0.544 19.000
140 HA ILE 19 HA ILE 19 -5.866 0.467 21.622
141 HB ILE 19 HB ILE 19 -5.811 2.787 19.678
142 HG12 ILE 19 HG12 ILE 19 -3.563 1.884 19.939
143 HG13 ILE 19 HG11 ILE 19 -3.685 3.389 20.843
144 HG21 ILE 19 HG21 ILE 19 -7.259 3.269 21.532
145 HG22 ILE 19 HG22 ILE 19 -5.735 4.103 21.835
146 HG23 ILE 19 HG23 ILE 19 -6.103 2.601 22.684
147 HD11 ILE 19 HD11 ILE 19 -4.317 1.806 22.856
148 HD12 ILE 19 HD12 ILE 19 -2.630 1.990 22.389
149 HD13 ILE 19 HD13 ILE 19 -3.536 0.570 21.873
150 H ALA 20 HN ALA 20 -7.239 1.143 18.429
151 HA ALA 20 HA ALA 20 -9.897 1.592 19.466
152 HB1 ALA 20 HB1 ALA 20 -8.833 1.218 16.659
153 HB2 ALA 20 HB2 ALA 20 -9.265 2.739 17.443
154 HB3 ALA 20 HB3 ALA 20 -10.521 1.570 17.034
155 HN1 NH2 21 H2 NH2 21 -9.382 -2.320 18.727
156 HN2 NH2 21 H1 NH2 21 -8.082 -1.236 18.839
Start of MODEL 43
1 H1 ACE 0 HA2 ACE 0 6.177 -6.354 -0.920
2 H2 ACE 0 HA3 ACE 0 6.356 -4.669 -0.430
3 H3 ACE 0 HA1 ACE 0 7.630 -5.456 -1.361
4 H LEU 1 HN LEU 1 4.187 -5.834 -1.965
5 HA LEU 1 HA LEU 1 4.408 -5.290 -4.729
6 HB2 LEU 1 HB2 LEU 1 2.028 -5.354 -2.868
7 HB3 LEU 1 HB1 LEU 1 1.880 -5.152 -4.611
8 HG LEU 1 HG LEU 1 3.349 -7.477 -3.329
9 HD11 LEU 1 HD11 LEU 1 1.001 -7.520 -2.622
10 HD12 LEU 1 HD12 LEU 1 1.303 -8.798 -3.799
11 HD13 LEU 1 HD13 LEU 1 0.478 -7.322 -4.296
12 HD21 LEU 1 HD21 LEU 1 4.042 -7.391 -5.574
13 HD22 LEU 1 HD22 LEU 1 2.499 -6.756 -6.136
14 HD23 LEU 1 HD23 LEU 1 2.642 -8.451 -5.681
15 H GLY 2 HN GLY 2 3.378 -3.292 -1.990
16 HA2 GLY 2 HA2 GLY 2 4.307 -0.872 -2.691
17 HA3 GLY 2 HA1 GLY 2 2.867 -0.991 -3.698
18 H LEU 3 HN LEU 3 1.475 -2.634 -1.652
19 HA LEU 3 HA LEU 3 0.467 -0.417 -0.040
20 HB2 LEU 3 HB2 LEU 3 -0.465 -3.282 -0.343
21 HB3 LEU 3 HB1 LEU 3 -1.281 -2.060 0.628
22 HG LEU 3 HG LEU 3 -0.737 -1.796 -2.346
23 HD11 LEU 3 HD11 LEU 3 -3.212 -2.657 -0.828
24 HD12 LEU 3 HD12 LEU 3 -2.310 -3.597 -2.016
25 HD13 LEU 3 HD13 LEU 3 -3.226 -2.178 -2.524
26 HD21 LEU 3 HD21 LEU 3 -2.694 -0.050 -1.937
27 HD22 LEU 3 HD22 LEU 3 -1.030 0.401 -1.590
28 HD23 LEU 3 HD23 LEU 3 -2.102 -0.077 -0.275
29 H LEU 4 HN LEU 4 2.869 -2.688 0.273
30 HA LEU 4 HA LEU 4 2.551 -3.623 2.917
31 HB2 LEU 4 HB2 LEU 4 4.238 -4.325 1.064
32 HB3 LEU 4 HB1 LEU 4 5.235 -3.011 1.677
33 HG LEU 4 HG LEU 4 4.133 -5.247 3.411
34 HD11 LEU 4 HD11 LEU 4 6.840 -4.945 2.084
35 HD12 LEU 4 HD12 LEU 4 5.644 -6.203 1.772
36 HD13 LEU 4 HD13 LEU 4 6.467 -6.137 3.330
37 HD21 LEU 4 HD21 LEU 4 5.877 -2.849 3.891
38 HD22 LEU 4 HD22 LEU 4 6.295 -4.334 4.744
39 HD23 LEU 4 HD23 LEU 4 4.703 -3.622 4.955
40 H SER 5 HN SER 5 4.126 -0.743 1.584
41 HA SER 5 HA SER 5 4.940 0.251 4.168
42 HB2 SER 5 HB2 SER 5 6.238 0.758 2.139
43 HB3 SER 5 HB1 SER 5 4.857 1.624 1.473
44 HG SER 5 HG SER 5 6.717 2.616 2.977
45 H TYR 6 HN TYR 6 1.976 0.054 2.722
46 HA TYR 6 HA TYR 6 0.842 2.601 3.025
47 HB2 TYR 6 HB2 TYR 6 -0.261 0.679 1.894
48 HB3 TYR 6 HB1 TYR 6 -0.511 -0.069 3.471
49 HD1 TYR 6 HD1 TYR 6 -2.058 0.927 5.115
50 HD2 TYR 6 HD2 TYR 6 -1.545 2.606 1.196
51 HE1 TYR 6 HE1 TYR 6 -4.135 2.250 5.409
52 HE2 TYR 6 HE2 TYR 6 -3.619 3.930 1.489
53 HH TYR 6 HH TYR 6 -4.962 4.669 4.185
54 H GLY 7 HN GLY 7 1.000 -0.114 5.328
55 HA2 GLY 7 HA2 GLY 7 0.161 1.708 7.508
56 HA3 GLY 7 HA1 GLY 7 0.054 -0.053 7.552
57 H ALA 8 HN ALA 8 2.930 0.831 6.108
58 HA ALA 8 HA ALA 8 5.123 0.770 6.776
59 HB1 ALA 8 HB1 ALA 8 4.192 2.694 8.237
60 HB2 ALA 8 HB2 ALA 8 5.727 1.962 8.703
61 HB3 ALA 8 HB3 ALA 8 4.245 1.523 9.554
62 H GLY 9 HN GLY 9 2.697 -1.105 8.047
63 HA2 GLY 9 HA2 GLY 9 4.097 -3.448 8.339
64 HA3 GLY 9 HA1 GLY 9 4.046 -2.710 9.946
65 H VAL 10 HN VAL 10 1.694 -1.436 9.979
66 HA VAL 10 HA VAL 10 -0.461 -3.229 9.179
67 HB VAL 10 HB VAL 10 0.017 -2.511 12.073
68 HG11 VAL 10 HG11 VAL 10 -2.136 -4.027 10.593
69 HG12 VAL 10 HG12 VAL 10 -2.319 -2.652 11.680
70 HG13 VAL 10 HG13 VAL 10 -1.868 -4.230 12.326
71 HG21 VAL 10 HG21 VAL 10 0.411 -5.065 10.510
72 HG22 VAL 10 HG22 VAL 10 0.283 -5.030 12.268
73 HG23 VAL 10 HG23 VAL 10 1.606 -4.185 11.461
74 H ALA 11 HN ALA 11 -0.252 -0.769 11.728
75 HA ALA 11 HA ALA 11 -1.282 1.258 12.006
76 HB1 ALA 11 HB1 ALA 11 -0.050 1.685 9.819
77 HB2 ALA 11 HB2 ALA 11 -1.444 2.714 10.144
78 HB3 ALA 11 HB3 ALA 11 -1.587 1.372 9.011
79 H SER 12 HN SER 12 -2.795 -1.361 10.534
80 HA SER 12 HA SER 12 -5.437 -0.122 10.356
81 HB2 SER 12 HB2 SER 12 -6.161 -2.258 9.476
82 HB3 SER 12 HB1 SER 12 -4.675 -1.785 8.660
83 HG SER 12 HG SER 12 -5.089 -3.723 10.669
84 H LEU 13 HN LEU 13 -3.598 -1.141 12.836
85 HA LEU 13 HA LEU 13 -5.923 -1.687 14.500
86 HB2 LEU 13 HB2 LEU 13 -4.215 -3.799 13.558
87 HB3 LEU 13 HB1 LEU 13 -3.957 -3.640 15.289
88 HG LEU 13 HG LEU 13 -6.730 -3.806 14.074
89 HD11 LEU 13 HD11 LEU 13 -5.009 -6.051 15.170
90 HD12 LEU 13 HD12 LEU 13 -5.452 -5.833 13.477
91 HD13 LEU 13 HD13 LEU 13 -6.696 -6.194 14.675
92 HD21 LEU 13 HD21 LEU 13 -5.781 -4.553 16.850
93 HD22 LEU 13 HD22 LEU 13 -7.431 -4.237 16.311
94 HD23 LEU 13 HD23 LEU 13 -6.279 -2.910 16.451
95 HA PRO 14 HA PRO 14 -2.009 -0.904 17.328
96 HB2 PRO 14 HB2 PRO 14 -0.312 0.489 15.283
97 HB3 PRO 14 HB1 PRO 14 0.180 -0.551 16.637
98 HG2 PRO 14 HG2 PRO 14 0.228 -1.483 14.167
99 HG3 PRO 14 HG1 PRO 14 -0.357 -2.504 15.496
100 HD2 PRO 14 HD2 PRO 14 -1.941 -1.032 13.414
101 HD3 PRO 14 HD1 PRO 14 -2.212 -2.657 14.086
102 H LEU 15 HN LEU 15 -2.563 1.407 14.649
103 HA LEU 15 HA LEU 15 -2.442 3.738 16.257
104 HB2 LEU 15 HB2 LEU 15 -3.812 3.212 13.612
105 HB3 LEU 15 HB1 LEU 15 -3.689 4.806 14.350
106 HG LEU 15 HG LEU 15 -1.309 3.049 13.673
107 HD11 LEU 15 HD11 LEU 15 -2.687 3.927 11.707
108 HD12 LEU 15 HD12 LEU 15 -0.985 4.389 11.723
109 HD13 LEU 15 HD13 LEU 15 -2.218 5.545 12.226
110 HD21 LEU 15 HD21 LEU 15 -1.646 5.782 14.899
111 HD22 LEU 15 HD22 LEU 15 -0.246 5.486 13.869
112 HD23 LEU 15 HD23 LEU 15 -0.498 4.506 15.309
113 H LEU 16 HN LEU 16 -5.110 1.665 15.225
114 HA LEU 16 HA LEU 16 -7.208 3.205 16.327
115 HB2 LEU 16 HB2 LEU 16 -7.146 0.203 15.963
116 HB3 LEU 16 HB1 LEU 16 -8.573 1.239 16.029
117 HG LEU 16 HG LEU 16 -6.409 1.336 13.904
118 HD11 LEU 16 HD11 LEU 16 -7.838 -0.629 13.675
119 HD12 LEU 16 HD12 LEU 16 -8.245 0.540 12.420
120 HD13 LEU 16 HD13 LEU 16 -9.283 0.369 13.835
121 HD21 LEU 16 HD21 LEU 16 -7.208 3.543 14.031
122 HD22 LEU 16 HD22 LEU 16 -8.840 3.035 14.469
123 HD23 LEU 16 HD23 LEU 16 -8.266 2.835 12.813
124 H ASN 17 HN ASN 17 -5.169 0.645 17.645
125 HA ASN 17 HA ASN 17 -6.551 0.228 20.060
126 HB2 ASN 17 HB2 ASN 17 -4.698 -1.203 19.135
127 HB3 ASN 17 HB1 ASN 17 -3.561 0.039 19.657
128 HD21 ASN 17 HD21 ASN 17 -2.551 -1.152 21.363
129 HD22 ASN 17 HD22 ASN 17 -3.394 -1.674 22.742
130 H VAL 18 HN VAL 18 -4.012 2.540 19.176
131 HA VAL 18 HA VAL 18 -3.591 3.613 21.756
132 HB VAL 18 HB VAL 18 -3.256 4.844 19.010
133 HG11 VAL 18 HG11 VAL 18 -3.433 6.677 20.538
134 HG12 VAL 18 HG12 VAL 18 -1.706 6.417 20.291
135 HG13 VAL 18 HG13 VAL 18 -2.483 5.835 21.763
136 HG21 VAL 18 HG21 VAL 18 -1.220 3.735 20.966
137 HG22 VAL 18 HG22 VAL 18 -0.911 4.292 19.321
138 HG23 VAL 18 HG23 VAL 18 -1.864 2.832 19.594
139 H ILE 19 HN ILE 19 -5.740 4.584 19.100
140 HA ILE 19 HA ILE 19 -6.897 6.814 20.412
141 HB ILE 19 HB ILE 19 -7.949 5.003 18.224
142 HG12 ILE 19 HG12 ILE 19 -5.929 6.255 17.611
143 HG13 ILE 19 HG11 ILE 19 -7.323 6.885 16.744
144 HG21 ILE 19 HG21 ILE 19 -9.887 6.000 19.137
145 HG22 ILE 19 HG22 ILE 19 -9.462 7.036 17.775
146 HG23 ILE 19 HG23 ILE 19 -9.069 7.536 19.419
147 HD11 ILE 19 HD11 ILE 19 -7.410 8.543 18.859
148 HD12 ILE 19 HD12 ILE 19 -6.398 8.875 17.459
149 HD13 ILE 19 HD13 ILE 19 -5.692 8.153 18.902
150 H ALA 20 HN ALA 20 -7.812 3.403 20.177
151 HA ALA 20 HA ALA 20 -10.176 3.710 21.792
152 HB1 ALA 20 HB1 ALA 20 -10.115 1.182 21.790
153 HB2 ALA 20 HB2 ALA 20 -8.643 1.292 20.823
154 HB3 ALA 20 HB3 ALA 20 -10.161 1.926 20.191
155 HN1 NH2 21 H2 NH2 21 -6.979 2.892 24.143
156 HN2 NH2 21 H1 NH2 21 -6.791 3.188 22.482
Start of MODEL 44
1 H1 ACE 0 HA2 ACE 0 6.818 -1.110 -2.568
2 H2 ACE 0 HA3 ACE 0 5.065 -1.161 -2.383
3 H3 ACE 0 HA1 ACE 0 5.779 -1.137 -3.995
4 H LEU 1 HN LEU 1 4.122 -3.111 -3.805
5 HA LEU 1 HA LEU 1 3.792 -5.400 -3.695
6 HB2 LEU 1 HB2 LEU 1 6.674 -5.209 -4.580
7 HB3 LEU 1 HB1 LEU 1 5.720 -6.686 -4.660
8 HG LEU 1 HG LEU 1 4.899 -4.090 -5.995
9 HD11 LEU 1 HD11 LEU 1 5.643 -5.298 -8.103
10 HD12 LEU 1 HD12 LEU 1 6.425 -6.481 -7.055
11 HD13 LEU 1 HD13 LEU 1 6.957 -4.800 -7.035
12 HD21 LEU 1 HD21 LEU 1 3.584 -5.894 -7.395
13 HD22 LEU 1 HD22 LEU 1 2.953 -5.411 -5.827
14 HD23 LEU 1 HD23 LEU 1 3.846 -6.922 -5.986
15 H GLY 2 HN GLY 2 4.765 -4.052 -1.226
16 HA2 GLY 2 HA2 GLY 2 5.625 -6.480 0.207
17 HA3 GLY 2 HA1 GLY 2 6.574 -5.006 0.405
18 H LEU 3 HN LEU 3 3.083 -5.187 -0.001
19 HA LEU 3 HA LEU 3 1.385 -4.284 1.275
20 HB2 LEU 3 HB2 LEU 3 2.978 -5.645 3.463
21 HB3 LEU 3 HB1 LEU 3 1.293 -5.146 3.582
22 HG LEU 3 HG LEU 3 2.373 -7.142 1.566
23 HD11 LEU 3 HD11 LEU 3 0.661 -7.609 4.025
24 HD12 LEU 3 HD12 LEU 3 2.397 -7.910 3.963
25 HD13 LEU 3 HD13 LEU 3 1.304 -8.840 2.938
26 HD21 LEU 3 HD21 LEU 3 -0.240 -7.597 1.506
27 HD22 LEU 3 HD22 LEU 3 0.437 -6.277 0.561
28 HD23 LEU 3 HD23 LEU 3 -0.346 -5.944 2.106
29 H LEU 4 HN LEU 4 4.110 -2.844 1.067
30 HA LEU 4 HA LEU 4 4.508 -1.336 3.421
31 HB2 LEU 4 HB2 LEU 4 5.135 -0.785 0.519
32 HB3 LEU 4 HB1 LEU 4 5.643 0.285 1.821
33 HG LEU 4 HG LEU 4 6.287 -2.676 1.748
34 HD11 LEU 4 HD11 LEU 4 7.352 -1.754 -0.179
35 HD12 LEU 4 HD12 LEU 4 8.599 -1.862 1.063
36 HD13 LEU 4 HD13 LEU 4 7.850 -0.308 0.698
37 HD21 LEU 4 HD21 LEU 4 6.649 -2.012 3.955
38 HD22 LEU 4 HD22 LEU 4 7.073 -0.359 3.510
39 HD23 LEU 4 HD23 LEU 4 8.226 -1.668 3.257
40 H SER 5 HN SER 5 2.530 -0.764 0.545
41 HA SER 5 HA SER 5 1.673 1.847 1.203
42 HB2 SER 5 HB2 SER 5 -0.132 1.415 -0.429
43 HB3 SER 5 HB1 SER 5 1.444 0.926 -1.042
44 HG SER 5 HG SER 5 0.512 -0.928 -1.334
45 H TYR 6 HN TYR 6 0.243 -1.344 1.839
46 HA TYR 6 HA TYR 6 -2.080 -0.348 3.152
47 HB2 TYR 6 HB2 TYR 6 -0.690 -3.032 3.206
48 HB3 TYR 6 HB1 TYR 6 -2.195 -2.715 4.068
49 HD1 TYR 6 HD2 TYR 6 -4.261 -2.134 2.829
50 HD2 TYR 6 HD1 TYR 6 -0.631 -3.206 0.794
51 HE1 TYR 6 HE2 TYR 6 -5.539 -2.490 0.739
52 HE2 TYR 6 HE1 TYR 6 -1.912 -3.560 -1.302
53 HH TYR 6 HH TYR 6 -4.654 -2.381 -1.992
54 H GLY 7 HN GLY 7 1.106 -1.397 4.277
55 HA2 GLY 7 HA2 GLY 7 0.566 -1.213 7.056
56 HA3 GLY 7 HA1 GLY 7 2.165 -1.178 6.312
57 H ALA 8 HN ALA 8 1.593 1.088 4.613
58 HA ALA 8 HA ALA 8 2.450 3.175 6.253
59 HB1 ALA 8 HB1 ALA 8 0.930 3.557 3.674
60 HB2 ALA 8 HB2 ALA 8 2.607 3.015 3.716
61 HB3 ALA 8 HB3 ALA 8 2.172 4.600 4.361
62 H GLY 9 HN GLY 9 -0.716 1.957 5.600
63 HA2 GLY 9 HA2 GLY 9 -2.039 4.323 6.769
64 HA3 GLY 9 HA1 GLY 9 -2.831 2.999 5.920
65 H VAL 10 HN VAL 10 -2.246 0.776 7.062
66 HA VAL 10 HA VAL 10 -3.582 0.793 9.555
67 HB VAL 10 HB VAL 10 -1.922 -1.348 8.206
68 HG11 VAL 10 HG11 VAL 10 -2.011 -1.885 10.555
69 HG12 VAL 10 HG12 VAL 10 -3.236 -2.870 9.757
70 HG13 VAL 10 HG13 VAL 10 -3.711 -1.426 10.652
71 HG21 VAL 10 HG21 VAL 10 -4.158 -2.265 7.644
72 HG22 VAL 10 HG22 VAL 10 -3.913 -0.662 6.951
73 HG23 VAL 10 HG23 VAL 10 -4.911 -0.858 8.393
74 H ALA 11 HN ALA 11 -0.145 0.444 8.706
75 HA ALA 11 HA ALA 11 1.754 0.561 9.980
76 HB1 ALA 11 HB1 ALA 11 1.129 2.845 10.396
77 HB2 ALA 11 HB2 ALA 11 1.649 2.154 11.931
78 HB3 ALA 11 HB3 ALA 11 -0.068 2.356 11.594
79 H SER 12 HN SER 12 0.017 -1.651 10.371
80 HA SER 12 HA SER 12 -0.152 -3.488 11.736
81 HB2 SER 12 HB2 SER 12 1.712 -2.174 13.698
82 HB3 SER 12 HB1 SER 12 1.521 -3.885 13.330
83 HG SER 12 HG SER 12 3.395 -2.940 12.362
84 H LEU 13 HN LEU 13 -1.627 -0.810 12.195
85 HA LEU 13 HA LEU 13 -3.203 0.032 13.640
86 HB2 LEU 13 HB2 LEU 13 -3.943 -2.429 13.179
87 HB3 LEU 13 HB1 LEU 13 -3.404 -2.730 14.827
88 HG LEU 13 HG LEU 13 -4.901 -0.582 15.365
89 HD11 LEU 13 HD11 LEU 13 -6.866 -0.441 13.914
90 HD12 LEU 13 HD12 LEU 13 -6.225 -1.716 12.879
91 HD13 LEU 13 HD13 LEU 13 -5.412 -0.153 12.959
92 HD21 LEU 13 HD21 LEU 13 -6.136 -3.284 14.740
93 HD22 LEU 13 HD22 LEU 13 -6.785 -2.072 15.846
94 HD23 LEU 13 HD23 LEU 13 -5.272 -2.894 16.227
95 HA PRO 14 HA PRO 14 -0.489 0.059 17.366
96 HB2 PRO 14 HB2 PRO 14 0.939 2.323 16.913
97 HB3 PRO 14 HB1 PRO 14 1.379 0.771 16.171
98 HG2 PRO 14 HG2 PRO 14 0.197 3.164 14.919
99 HG3 PRO 14 HG1 PRO 14 1.093 1.838 14.176
100 HD2 PRO 14 HD2 PRO 14 -1.802 2.193 14.304
101 HD3 PRO 14 HD1 PRO 14 -0.888 0.918 13.470
102 H LEU 15 HN LEU 15 -1.034 3.368 16.214
103 HA LEU 15 HA LEU 15 -1.949 4.341 18.697
104 HB2 LEU 15 HB2 LEU 15 -2.183 5.464 15.896
105 HB3 LEU 15 HB1 LEU 15 -2.639 6.351 17.349
106 HG LEU 15 HG LEU 15 0.109 5.148 16.902
107 HD11 LEU 15 HD11 LEU 15 -0.363 6.891 15.230
108 HD12 LEU 15 HD12 LEU 15 0.840 7.450 16.393
109 HD13 LEU 15 HD13 LEU 15 -0.830 8.008 16.511
110 HD21 LEU 15 HD21 LEU 15 0.002 5.479 19.201
111 HD22 LEU 15 HD22 LEU 15 -1.169 6.790 19.077
112 HD23 LEU 15 HD23 LEU 15 0.527 7.086 18.706
113 H LEU 16 HN LEU 16 -3.640 3.247 15.790
114 HA LEU 16 HA LEU 16 -6.241 4.012 16.555
115 HB2 LEU 16 HB2 LEU 16 -5.123 1.943 14.678
116 HB3 LEU 16 HB1 LEU 16 -6.858 1.997 14.988
117 HG LEU 16 HG LEU 16 -6.876 4.396 14.325
118 HD11 LEU 16 HD11 LEU 16 -4.660 5.122 14.814
119 HD12 LEU 16 HD12 LEU 16 -4.769 5.146 13.054
120 HD13 LEU 16 HD13 LEU 16 -3.943 3.817 13.868
121 HD21 LEU 16 HD21 LEU 16 -6.532 4.004 11.916
122 HD22 LEU 16 HD22 LEU 16 -7.346 2.626 12.659
123 HD23 LEU 16 HD23 LEU 16 -5.626 2.535 12.278
124 H ASN 17 HN ASN 17 -4.343 1.092 17.216
125 HA ASN 17 HA ASN 17 -6.417 -0.412 18.405
126 HB2 ASN 17 HB2 ASN 17 -4.283 -1.432 17.757
127 HB3 ASN 17 HB1 ASN 17 -3.440 -0.463 18.964
128 HD21 ASN 17 HD21 ASN 17 -3.198 -3.216 19.222
129 HD22 ASN 17 HD22 ASN 17 -4.129 -3.768 20.530
130 H VAL 18 HN VAL 18 -4.078 1.893 19.741
131 HA VAL 18 HA VAL 18 -4.841 1.617 22.459
132 HB VAL 18 HB VAL 18 -3.608 3.963 20.993
133 HG11 VAL 18 HG11 VAL 18 -4.031 3.389 23.934
134 HG12 VAL 18 HG12 VAL 18 -4.556 4.807 23.025
135 HG13 VAL 18 HG13 VAL 18 -2.842 4.554 23.356
136 HG21 VAL 18 HG21 VAL 18 -2.288 1.857 20.959
137 HG22 VAL 18 HG22 VAL 18 -2.367 1.791 22.720
138 HG23 VAL 18 HG23 VAL 18 -1.505 3.110 21.923
139 H ILE 19 HN ILE 19 -5.824 3.877 19.904
140 HA ILE 19 HA ILE 19 -7.633 5.385 21.473
141 HB ILE 19 HB ILE 19 -7.519 4.877 18.488
142 HG12 ILE 19 HG12 ILE 19 -6.728 7.328 20.085
143 HG13 ILE 19 HG11 ILE 19 -5.589 6.046 19.670
144 HG21 ILE 19 HG21 ILE 19 -8.911 7.002 18.407
145 HG22 ILE 19 HG22 ILE 19 -9.196 6.789 20.135
146 HG23 ILE 19 HG23 ILE 19 -9.764 5.574 18.987
147 HD11 ILE 19 HD11 ILE 19 -7.151 7.789 17.744
148 HD12 ILE 19 HD12 ILE 19 -6.211 6.380 17.251
149 HD13 ILE 19 HD13 ILE 19 -5.404 7.766 17.985
150 H ALA 20 HN ALA 20 -8.032 2.543 19.397
151 HA ALA 20 HA ALA 20 -10.871 2.345 19.942
152 HB1 ALA 20 HB1 ALA 20 -9.898 1.617 17.783
153 HB2 ALA 20 HB2 ALA 20 -10.778 0.323 18.594
154 HB3 ALA 20 HB3 ALA 20 -9.015 0.346 18.629
155 HN1 NH2 21 H2 NH2 21 -8.769 0.229 22.640
156 HN2 NH2 21 H1 NH2 21 -8.047 1.400 21.646
Start of MODEL 45
1 H1 ACE 0 HA2 ACE 0 2.843 -6.253 3.205
2 H2 ACE 0 HA3 ACE 0 3.891 -7.116 4.332
3 H3 ACE 0 HA1 ACE 0 2.669 -7.996 3.415
4 H LEU 1 HN LEU 1 2.905 -7.858 0.993
5 HA LEU 1 HA LEU 1 5.672 -8.438 0.294
6 HB2 LEU 1 HB2 LEU 1 3.064 -8.734 -1.200
7 HB3 LEU 1 HB1 LEU 1 4.633 -9.189 -1.868
8 HG LEU 1 HG LEU 1 3.541 -10.258 0.753
9 HD11 LEU 1 HD11 LEU 1 3.641 -11.747 -1.879
10 HD12 LEU 1 HD12 LEU 1 2.201 -10.888 -1.335
11 HD13 LEU 1 HD13 LEU 1 2.838 -12.231 -0.386
12 HD21 LEU 1 HD21 LEU 1 6.029 -10.736 -0.868
13 HD22 LEU 1 HD22 LEU 1 5.335 -12.098 0.009
14 HD23 LEU 1 HD23 LEU 1 5.824 -10.651 0.879
15 H GLY 2 HN GLY 2 3.849 -5.712 0.415
16 HA2 GLY 2 HA2 GLY 2 5.592 -3.989 -0.769
17 HA3 GLY 2 HA1 GLY 2 4.552 -4.494 -2.100
18 H LEU 3 HN LEU 3 2.325 -4.863 -0.103
19 HA LEU 3 HA LEU 3 1.152 -2.269 -0.403
20 HB2 LEU 3 HB2 LEU 3 0.234 -4.649 1.227
21 HB3 LEU 3 HB1 LEU 3 -0.746 -3.243 0.822
22 HG LEU 3 HG LEU 3 0.493 -5.150 -1.194
23 HD11 LEU 3 HD11 LEU 3 -1.882 -5.818 -1.581
24 HD12 LEU 3 HD12 LEU 3 -2.360 -4.805 -0.218
25 HD13 LEU 3 HD13 LEU 3 -1.323 -6.205 0.048
26 HD21 LEU 3 HD21 LEU 3 -1.104 -2.597 -1.421
27 HD22 LEU 3 HD22 LEU 3 -1.281 -3.840 -2.661
28 HD23 LEU 3 HD23 LEU 3 0.296 -3.119 -2.359
29 H LEU 4 HN LEU 4 3.093 -3.765 2.007
30 HA LEU 4 HA LEU 4 2.216 -2.406 4.306
31 HB2 LEU 4 HB2 LEU 4 3.886 -4.356 4.115
32 HB3 LEU 4 HB1 LEU 4 5.094 -3.123 3.770
33 HG LEU 4 HG LEU 4 4.254 -1.958 5.925
34 HD11 LEU 4 HD11 LEU 4 2.260 -3.103 6.488
35 HD12 LEU 4 HD12 LEU 4 3.445 -3.770 7.604
36 HD13 LEU 4 HD13 LEU 4 2.971 -4.686 6.177
37 HD21 LEU 4 HD21 LEU 4 5.646 -3.562 7.348
38 HD22 LEU 4 HD22 LEU 4 6.439 -2.924 5.908
39 HD23 LEU 4 HD23 LEU 4 5.793 -4.566 5.903
40 H SER 5 HN SER 5 4.532 -1.518 1.788
41 HA SER 5 HA SER 5 5.609 0.780 2.937
42 HB2 SER 5 HB2 SER 5 6.113 1.480 0.641
43 HB3 SER 5 HB1 SER 5 6.439 -0.238 0.855
44 HG SER 5 HG SER 5 4.524 1.045 -0.670
45 H TYR 6 HN TYR 6 2.529 0.265 1.309
46 HA TYR 6 HA TYR 6 1.871 3.105 1.319
47 HB2 TYR 6 HB2 TYR 6 0.239 0.668 0.559
48 HB3 TYR 6 HB1 TYR 6 -0.283 2.341 0.364
49 HD1 TYR 6 HD1 TYR 6 2.208 -0.190 -0.737
50 HD2 TYR 6 HD2 TYR 6 0.564 3.726 -1.394
51 HE1 TYR 6 HE1 TYR 6 3.407 -0.045 -2.904
52 HE2 TYR 6 HE2 TYR 6 1.760 3.865 -3.557
53 HH TYR 6 HH TYR 6 3.915 2.776 -4.527
54 H GLY 7 HN GLY 7 1.998 0.812 3.641
55 HA2 GLY 7 HA2 GLY 7 -0.135 2.101 5.247
56 HA3 GLY 7 HA1 GLY 7 0.011 0.345 5.198
57 H ALA 8 HN ALA 8 2.980 1.962 4.924
58 HA ALA 8 HA ALA 8 4.070 0.829 7.254
59 HB1 ALA 8 HB1 ALA 8 6.050 2.022 6.721
60 HB2 ALA 8 HB2 ALA 8 5.150 3.302 5.905
61 HB3 ALA 8 HB3 ALA 8 5.277 1.706 5.167
62 H GLY 9 HN GLY 9 2.315 3.767 6.724
63 HA2 GLY 9 HA2 GLY 9 3.003 4.805 9.409
64 HA3 GLY 9 HA1 GLY 9 2.217 5.715 8.120
65 H VAL 10 HN VAL 10 0.061 4.679 7.389
66 HA VAL 10 HA VAL 10 -1.725 4.778 9.566
67 HB VAL 10 HB VAL 10 -2.189 3.635 6.801
68 HG11 VAL 10 HG11 VAL 10 -4.125 4.736 8.853
69 HG12 VAL 10 HG12 VAL 10 -3.956 3.038 8.423
70 HG13 VAL 10 HG13 VAL 10 -4.547 4.193 7.232
71 HG21 VAL 10 HG21 VAL 10 -2.925 5.859 6.186
72 HG22 VAL 10 HG22 VAL 10 -1.303 5.989 6.868
73 HG23 VAL 10 HG23 VAL 10 -2.708 6.434 7.840
74 H ALA 11 HN ALA 11 -0.471 2.033 7.670
75 HA ALA 11 HA ALA 11 -0.550 -0.241 8.069
76 HB1 ALA 11 HB1 ALA 11 -0.430 0.718 10.940
77 HB2 ALA 11 HB2 ALA 11 0.964 0.516 9.881
78 HB3 ALA 11 HB3 ALA 11 0.014 -0.888 10.361
79 H SER 12 HN SER 12 -3.064 1.527 8.267
80 HA SER 12 HA SER 12 -5.320 1.028 8.327
81 HB2 SER 12 HB2 SER 12 -4.252 -1.455 8.066
82 HB3 SER 12 HB1 SER 12 -5.024 -1.619 9.639
83 HG SER 12 HG SER 12 -6.146 -0.981 7.131
84 H LEU 13 HN LEU 13 -3.755 2.243 10.494
85 HA LEU 13 HA LEU 13 -3.898 2.772 12.737
86 HB2 LEU 13 HB2 LEU 13 -6.481 3.012 11.400
87 HB3 LEU 13 HB1 LEU 13 -6.708 2.748 13.125
88 HG LEU 13 HG LEU 13 -5.034 4.633 13.511
89 HD11 LEU 13 HD11 LEU 13 -4.081 4.520 11.191
90 HD12 LEU 13 HD12 LEU 13 -4.593 6.140 11.666
91 HD13 LEU 13 HD13 LEU 13 -5.600 5.177 10.585
92 HD21 LEU 13 HD21 LEU 13 -7.559 5.322 11.976
93 HD22 LEU 13 HD22 LEU 13 -6.717 6.366 13.120
94 HD23 LEU 13 HD23 LEU 13 -7.506 4.896 13.686
95 HA PRO 14 HA PRO 14 -4.805 -1.481 14.284
96 HB2 PRO 14 HB2 PRO 14 -2.328 -2.528 14.393
97 HB3 PRO 14 HB1 PRO 14 -3.231 -2.454 12.864
98 HG2 PRO 14 HG2 PRO 14 -0.964 -0.772 13.806
99 HG3 PRO 14 HG1 PRO 14 -1.388 -1.274 12.162
100 HD2 PRO 14 HD2 PRO 14 -1.993 1.243 13.369
101 HD3 PRO 14 HD1 PRO 14 -2.598 0.637 11.816
102 H LEU 15 HN LEU 15 -1.817 0.275 15.142
103 HA LEU 15 HA LEU 15 -1.776 -0.482 17.865
104 HB2 LEU 15 HB2 LEU 15 -0.541 1.861 16.413
105 HB3 LEU 15 HB1 LEU 15 -0.217 1.487 18.102
106 HG LEU 15 HG LEU 15 0.215 -0.484 15.841
107 HD11 LEU 15 HD11 LEU 15 2.585 0.083 15.960
108 HD12 LEU 15 HD12 LEU 15 2.265 1.280 17.216
109 HD13 LEU 15 HD13 LEU 15 1.646 1.527 15.582
110 HD21 LEU 15 HD21 LEU 15 0.788 -0.469 18.802
111 HD22 LEU 15 HD22 LEU 15 1.847 -1.378 17.725
112 HD23 LEU 15 HD23 LEU 15 0.132 -1.758 17.797
113 H LEU 16 HN LEU 16 -3.157 2.287 16.165
114 HA LEU 16 HA LEU 16 -3.868 3.819 18.416
115 HB2 LEU 16 HB2 LEU 16 -4.911 3.630 15.601
116 HB3 LEU 16 HB1 LEU 16 -5.702 4.684 16.770
117 HG LEU 16 HG LEU 16 -3.991 5.866 15.394
118 HD11 LEU 16 HD11 LEU 16 -3.275 7.203 17.129
119 HD12 LEU 16 HD12 LEU 16 -2.814 5.845 18.152
120 HD13 LEU 16 HD13 LEU 16 -4.512 6.292 17.988
121 HD21 LEU 16 HD21 LEU 16 -2.507 3.814 15.234
122 HD22 LEU 16 HD22 LEU 16 -1.961 4.175 16.873
123 HD23 LEU 16 HD23 LEU 16 -1.658 5.324 15.572
124 H ASN 17 HN ASN 17 -5.536 1.242 16.681
125 HA ASN 17 HA ASN 17 -8.024 1.402 17.955
126 HB2 ASN 17 HB2 ASN 17 -7.638 0.069 15.944
127 HB3 ASN 17 HB1 ASN 17 -6.590 -1.022 16.850
128 HD21 ASN 17 HD21 ASN 17 -8.793 -2.177 15.634
129 HD22 ASN 17 HD22 ASN 17 -9.973 -2.567 16.790
130 H VAL 18 HN VAL 18 -5.063 -0.321 18.858
131 HA VAL 18 HA VAL 18 -6.114 -1.772 21.041
132 HB VAL 18 HB VAL 18 -3.312 -0.736 20.535
133 HG11 VAL 18 HG11 VAL 18 -3.399 -1.173 22.865
134 HG12 VAL 18 HG12 VAL 18 -2.758 -2.660 22.168
135 HG13 VAL 18 HG13 VAL 18 -4.454 -2.570 22.650
136 HG21 VAL 18 HG21 VAL 18 -2.933 -3.137 19.906
137 HG22 VAL 18 HG22 VAL 18 -4.065 -2.313 18.833
138 HG23 VAL 18 HG23 VAL 18 -4.664 -3.415 20.071
139 H ILE 19 HN ILE 19 -4.522 1.406 20.878
140 HA ILE 19 HA ILE 19 -4.672 1.957 23.655
141 HB ILE 19 HB ILE 19 -4.627 3.932 21.365
142 HG12 ILE 19 HG12 ILE 19 -2.768 2.361 21.149
143 HG13 ILE 19 HG11 ILE 19 -2.161 3.915 21.709
144 HG21 ILE 19 HG21 ILE 19 -3.967 4.135 24.308
145 HG22 ILE 19 HG22 ILE 19 -5.166 5.056 23.401
146 HG23 ILE 19 HG23 ILE 19 -3.446 5.335 23.127
147 HD11 ILE 19 HD11 ILE 19 -1.064 2.404 23.121
148 HD12 ILE 19 HD12 ILE 19 -2.463 1.344 23.246
149 HD13 ILE 19 HD13 ILE 19 -2.444 2.883 24.103
150 H ALA 20 HN ALA 20 -6.805 2.721 20.926
151 HA ALA 20 HA ALA 20 -8.680 4.223 22.459
152 HB1 ALA 20 HB1 ALA 20 -8.625 4.477 20.055
153 HB2 ALA 20 HB2 ALA 20 -10.201 3.830 20.511
154 HB3 ALA 20 HB3 ALA 20 -8.976 2.763 19.824
155 HN1 NH2 21 H2 NH2 21 -10.119 0.372 22.348
156 HN2 NH2 21 H1 NH2 21 -9.142 0.915 21.071
Start of MODEL 46
1 H1 ACE 0 HA2 ACE 0 3.806 -2.182 -5.965
2 H2 ACE 0 HA3 ACE 0 3.486 -1.885 -4.255
3 H3 ACE 0 HA1 ACE 0 2.230 -2.580 -5.278
4 H LEU 1 HN LEU 1 1.912 -4.603 -4.552
5 HA LEU 1 HA LEU 1 2.372 -6.694 -3.652
6 HB2 LEU 1 HB2 LEU 1 4.239 -6.523 -6.021
7 HB3 LEU 1 HB1 LEU 1 3.844 -8.021 -5.184
8 HG LEU 1 HG LEU 1 1.756 -6.188 -6.395
9 HD11 LEU 1 HD11 LEU 1 1.687 -7.726 -8.293
10 HD12 LEU 1 HD12 LEU 1 2.951 -8.719 -7.566
11 HD13 LEU 1 HD13 LEU 1 3.323 -7.086 -8.116
12 HD21 LEU 1 HD21 LEU 1 1.728 -8.929 -5.124
13 HD22 LEU 1 HD22 LEU 1 0.522 -8.520 -6.340
14 HD23 LEU 1 HD23 LEU 1 0.632 -7.572 -4.862
15 H GLY 2 HN GLY 2 3.941 -4.540 -2.427
16 HA2 GLY 2 HA2 GLY 2 5.767 -6.123 -0.941
17 HA3 GLY 2 HA1 GLY 2 6.645 -5.136 -2.106
18 H LEU 3 HN LEU 3 4.812 -2.898 -2.028
19 HA LEU 3 HA LEU 3 5.770 -1.664 0.441
20 HB2 LEU 3 HB2 LEU 3 4.343 -0.531 -1.973
21 HB3 LEU 3 HB1 LEU 3 4.865 0.428 -0.591
22 HG LEU 3 HG LEU 3 6.729 -1.283 -2.265
23 HD11 LEU 3 HD11 LEU 3 5.979 1.640 -2.440
24 HD12 LEU 3 HD12 LEU 3 5.972 0.431 -3.725
25 HD13 LEU 3 HD13 LEU 3 7.502 1.027 -3.082
26 HD21 LEU 3 HD21 LEU 3 7.082 0.600 0.068
27 HD22 LEU 3 HD22 LEU 3 8.370 0.472 -1.129
28 HD23 LEU 3 HD23 LEU 3 7.854 -0.956 -0.239
29 H LEU 4 HN LEU 4 3.017 -3.290 -0.577
30 HA LEU 4 HA LEU 4 0.950 -1.790 0.634
31 HB2 LEU 4 HB2 LEU 4 1.223 -4.749 0.079
32 HB3 LEU 4 HB1 LEU 4 -0.256 -4.010 0.687
33 HG LEU 4 HG LEU 4 1.137 -3.115 -1.852
34 HD11 LEU 4 HD11 LEU 4 -0.704 -4.369 -3.016
35 HD12 LEU 4 HD12 LEU 4 -1.141 -5.076 -1.461
36 HD13 LEU 4 HD13 LEU 4 0.437 -5.412 -2.170
37 HD21 LEU 4 HD21 LEU 4 -0.280 -1.353 -1.267
38 HD22 LEU 4 HD22 LEU 4 -1.440 -2.404 -0.458
39 HD23 LEU 4 HD23 LEU 4 -1.384 -2.340 -2.218
40 H SER 5 HN SER 5 3.088 -4.321 1.867
41 HA SER 5 HA SER 5 1.860 -4.340 4.482
42 HB2 SER 5 HB2 SER 5 4.428 -5.574 3.468
43 HB3 SER 5 HB1 SER 5 3.737 -5.856 5.063
44 HG SER 5 HG SER 5 3.120 -7.460 3.544
45 H TYR 6 HN TYR 6 3.817 -2.165 2.957
46 HA TYR 6 HA TYR 6 5.838 -1.559 4.802
47 HB2 TYR 6 HB2 TYR 6 5.621 -0.604 2.500
48 HB3 TYR 6 HB1 TYR 6 4.302 0.406 3.087
49 HD1 TYR 6 HD2 TYR 6 4.717 2.219 4.702
50 HD2 TYR 6 HD1 TYR 6 7.916 -0.195 3.154
51 HE1 TYR 6 HE2 TYR 6 6.369 3.873 5.531
52 HE2 TYR 6 HE1 TYR 6 9.565 1.458 3.980
53 HH TYR 6 HH TYR 6 9.749 3.682 4.681
54 H GLY 7 HN GLY 7 2.518 -0.297 4.544
55 HA2 GLY 7 HA2 GLY 7 1.678 -0.180 7.067
56 HA3 GLY 7 HA1 GLY 7 2.799 1.179 7.054
57 H ALA 8 HN ALA 8 0.660 0.058 4.452
58 HA ALA 8 HA ALA 8 -0.513 2.762 4.310
59 HB1 ALA 8 HB1 ALA 8 -1.287 2.073 2.085
60 HB2 ALA 8 HB2 ALA 8 -0.631 0.457 2.348
61 HB3 ALA 8 HB3 ALA 8 0.454 1.844 2.242
62 H GLY 9 HN GLY 9 -1.571 1.779 6.445
63 HA2 GLY 9 HA2 GLY 9 -4.297 1.719 6.134
64 HA3 GLY 9 HA1 GLY 9 -3.809 0.026 6.055
65 H VAL 10 HN VAL 10 -1.794 -0.153 7.832
66 HA VAL 10 HA VAL 10 -3.120 -0.238 10.334
67 HB VAL 10 HB VAL 10 -0.186 -0.470 9.635
68 HG11 VAL 10 HG11 VAL 10 -1.705 -0.823 12.217
69 HG12 VAL 10 HG12 VAL 10 -0.162 -0.017 11.937
70 HG13 VAL 10 HG13 VAL 10 -0.254 -1.776 11.903
71 HG21 VAL 10 HG21 VAL 10 -2.380 -2.512 10.103
72 HG22 VAL 10 HG22 VAL 10 -0.674 -2.910 9.910
73 HG23 VAL 10 HG23 VAL 10 -1.565 -2.176 8.577
74 H ALA 11 HN ALA 11 -0.664 1.933 8.987
75 HA ALA 11 HA ALA 11 0.008 4.040 9.584
76 HB1 ALA 11 HB1 ALA 11 -1.579 5.517 10.540
77 HB2 ALA 11 HB2 ALA 11 -2.440 4.204 11.336
78 HB3 ALA 11 HB3 ALA 11 -2.524 4.375 9.586
79 H SER 12 HN SER 12 0.994 1.821 11.016
80 HA SER 12 HA SER 12 2.315 1.372 12.829
81 HB2 SER 12 HB2 SER 12 1.922 4.202 13.770
82 HB3 SER 12 HB1 SER 12 3.335 3.164 13.952
83 HG SER 12 HG SER 12 2.703 4.857 11.964
84 H LEU 13 HN LEU 13 -0.778 1.513 12.946
85 HA LEU 13 HA LEU 13 -2.423 1.078 14.495
86 HB2 LEU 13 HB2 LEU 13 -0.684 -0.750 14.968
87 HB3 LEU 13 HB1 LEU 13 -0.189 0.239 16.337
88 HG LEU 13 HG LEU 13 -2.802 0.231 16.882
89 HD11 LEU 13 HD11 LEU 13 -2.530 -2.476 15.562
90 HD12 LEU 13 HD12 LEU 13 -3.184 -1.095 14.688
91 HD13 LEU 13 HD13 LEU 13 -3.993 -1.679 16.139
92 HD21 LEU 13 HD21 LEU 13 -0.959 -0.737 18.293
93 HD22 LEU 13 HD22 LEU 13 -1.098 -2.235 17.374
94 HD23 LEU 13 HD23 LEU 13 -2.449 -1.676 18.359
95 HA PRO 14 HA PRO 14 -1.537 4.779 17.096
96 HB2 PRO 14 HB2 PRO 14 -2.764 6.711 15.639
97 HB3 PRO 14 HB1 PRO 14 -1.123 6.145 15.265
98 HG2 PRO 14 HG2 PRO 14 -3.639 5.667 13.801
99 HG3 PRO 14 HG1 PRO 14 -1.969 5.573 13.228
100 HD2 PRO 14 HD2 PRO 14 -3.689 3.382 14.086
101 HD3 PRO 14 HD1 PRO 14 -2.045 3.289 13.425
102 H LEU 15 HN LEU 15 -4.554 5.230 15.289
103 HA LEU 15 HA LEU 15 -6.118 5.822 17.562
104 HB2 LEU 15 HB2 LEU 15 -6.876 4.983 14.758
105 HB3 LEU 15 HB1 LEU 15 -8.052 5.488 15.969
106 HG LEU 15 HG LEU 15 -5.690 7.180 15.097
107 HD11 LEU 15 HD11 LEU 15 -8.594 7.346 14.237
108 HD12 LEU 15 HD12 LEU 15 -7.261 6.783 13.228
109 HD13 LEU 15 HD13 LEU 15 -7.312 8.461 13.766
110 HD21 LEU 15 HD21 LEU 15 -7.414 8.961 16.088
111 HD22 LEU 15 HD22 LEU 15 -6.327 8.080 17.151
112 HD23 LEU 15 HD23 LEU 15 -8.005 7.564 16.987
113 H LEU 16 HN LEU 16 -5.625 2.847 15.729
114 HA LEU 16 HA LEU 16 -7.606 1.277 16.975
115 HB2 LEU 16 HB2 LEU 16 -4.960 0.528 15.720
116 HB3 LEU 16 HB1 LEU 16 -6.160 -0.651 16.239
117 HG LEU 16 HG LEU 16 -6.755 1.586 14.281
118 HD11 LEU 16 HD11 LEU 16 -5.007 0.038 13.423
119 HD12 LEU 16 HD12 LEU 16 -6.510 -0.078 12.509
120 HD13 LEU 16 HD13 LEU 16 -6.102 -1.316 13.696
121 HD21 LEU 16 HD21 LEU 16 -8.599 -0.217 13.700
122 HD22 LEU 16 HD22 LEU 16 -8.830 0.842 15.083
123 HD23 LEU 16 HD23 LEU 16 -8.266 -0.811 15.326
124 H ASN 17 HN ASN 17 -4.231 1.914 17.809
125 HA ASN 17 HA ASN 17 -3.991 0.062 19.914
126 HB2 ASN 17 HB2 ASN 17 -2.061 1.220 18.945
127 HB3 ASN 17 HB1 ASN 17 -2.647 2.754 19.582
128 HD21 ASN 17 HD21 ASN 17 -0.131 1.985 20.426
129 HD22 ASN 17 HD22 ASN 17 -0.182 1.461 22.040
130 H VAL 18 HN VAL 18 -5.128 3.427 19.882
131 HA VAL 18 HA VAL 18 -5.424 3.705 22.683
132 HB VAL 18 HB VAL 18 -6.931 5.059 20.432
133 HG11 VAL 18 HG11 VAL 18 -6.741 5.597 23.401
134 HG12 VAL 18 HG12 VAL 18 -8.197 5.371 22.433
135 HG13 VAL 18 HG13 VAL 18 -7.234 6.836 22.247
136 HG21 VAL 18 HG21 VAL 18 -4.514 5.931 22.052
137 HG22 VAL 18 HG22 VAL 18 -5.307 6.874 20.791
138 HG23 VAL 18 HG23 VAL 18 -4.471 5.379 20.377
139 H ILE 19 HN ILE 19 -7.691 2.722 20.134
140 HA ILE 19 HA ILE 19 -9.930 2.316 21.826
141 HB ILE 19 HB ILE 19 -9.184 1.105 19.153
142 HG12 ILE 19 HG12 ILE 19 -9.515 3.535 19.096
143 HG13 ILE 19 HG11 ILE 19 -10.840 2.721 18.272
144 HG21 ILE 19 HG21 ILE 19 -11.741 0.687 19.078
145 HG22 ILE 19 HG22 ILE 19 -11.672 0.842 20.833
146 HG23 ILE 19 HG23 ILE 19 -10.748 -0.422 20.024
147 HD11 ILE 19 HD11 ILE 19 -11.953 2.875 20.714
148 HD12 ILE 19 HD12 ILE 19 -12.053 4.202 19.562
149 HD13 ILE 19 HD13 ILE 19 -10.846 4.239 20.845
150 H ALA 20 HN ALA 20 -7.369 0.174 20.649
151 HA ALA 20 HA ALA 20 -8.364 -2.191 21.878
152 HB1 ALA 20 HB1 ALA 20 -6.675 -2.086 20.002
153 HB2 ALA 20 HB2 ALA 20 -6.242 -3.165 21.328
154 HB3 ALA 20 HB3 ALA 20 -5.483 -1.579 21.199
155 HN1 NH2 21 H2 NH2 21 -6.024 -0.243 24.611
156 HN2 NH2 21 H1 NH2 21 -6.121 0.343 23.020
Start of MODEL 47
1 H1 ACE 0 HA2 ACE 0 6.723 -1.641 0.061
2 H2 ACE 0 HA3 ACE 0 7.019 -0.512 -1.259
3 H3 ACE 0 HA1 ACE 0 8.371 -1.156 -0.331
4 H LEU 1 HN LEU 1 7.172 -3.856 -0.235
5 HA LEU 1 HA LEU 1 8.397 -4.964 -2.523
6 HB2 LEU 1 HB2 LEU 1 6.439 -6.121 -0.533
7 HB3 LEU 1 HB1 LEU 1 7.209 -7.078 -1.796
8 HG LEU 1 HG LEU 1 8.746 -5.434 0.238
9 HD11 LEU 1 HD11 LEU 1 8.163 -8.412 0.255
10 HD12 LEU 1 HD12 LEU 1 7.415 -7.227 1.327
11 HD13 LEU 1 HD13 LEU 1 9.149 -7.538 1.428
12 HD21 LEU 1 HD21 LEU 1 9.492 -7.337 -1.977
13 HD22 LEU 1 HD22 LEU 1 10.501 -7.291 -0.533
14 HD23 LEU 1 HD23 LEU 1 10.267 -5.832 -1.486
15 H GLY 2 HN GLY 2 4.996 -4.304 -1.752
16 HA2 GLY 2 HA2 GLY 2 4.317 -4.016 -4.515
17 HA3 GLY 2 HA1 GLY 2 3.723 -5.541 -3.864
18 H LEU 3 HN LEU 3 3.089 -4.741 -1.256
19 HA LEU 3 HA LEU 3 1.240 -2.496 -1.474
20 HB2 LEU 3 HB2 LEU 3 -0.427 -4.341 -0.264
21 HB3 LEU 3 HB1 LEU 3 -0.521 -3.859 -1.954
22 HG LEU 3 HG LEU 3 1.040 -5.730 -2.525
23 HD11 LEU 3 HD11 LEU 3 0.539 -6.632 0.323
24 HD12 LEU 3 HD12 LEU 3 2.014 -5.803 -0.163
25 HD13 LEU 3 HD13 LEU 3 1.613 -7.369 -0.864
26 HD21 LEU 3 HD21 LEU 3 -1.400 -6.604 -0.961
27 HD22 LEU 3 HD22 LEU 3 -0.650 -7.449 -2.316
28 HD23 LEU 3 HD23 LEU 3 -1.465 -5.906 -2.578
29 H LEU 4 HN LEU 4 3.692 -3.502 0.053
30 HA LEU 4 HA LEU 4 2.981 -3.890 2.759
31 HB2 LEU 4 HB2 LEU 4 5.265 -4.206 1.576
32 HB3 LEU 4 HB1 LEU 4 5.502 -2.488 1.870
33 HG LEU 4 HG LEU 4 4.800 -4.477 4.055
34 HD11 LEU 4 HD11 LEU 4 7.262 -4.225 4.648
35 HD12 LEU 4 HD12 LEU 4 7.484 -3.511 3.051
36 HD13 LEU 4 HD13 LEU 4 6.918 -5.175 3.204
37 HD21 LEU 4 HD21 LEU 4 4.374 -2.472 5.090
38 HD22 LEU 4 HD22 LEU 4 5.349 -1.537 3.958
39 HD23 LEU 4 HD23 LEU 4 6.122 -2.416 5.276
40 H SER 5 HN SER 5 3.629 -0.991 0.850
41 HA SER 5 HA SER 5 3.744 0.962 2.782
42 HB2 SER 5 HB2 SER 5 2.963 2.509 1.084
43 HB3 SER 5 HB1 SER 5 4.021 1.315 0.336
44 HG SER 5 HG SER 5 1.706 1.887 -0.504
45 H TYR 6 HN TYR 6 0.836 -0.632 1.502
46 HA TYR 6 HA TYR 6 -1.061 1.080 2.705
47 HB2 TYR 6 HB2 TYR 6 -1.268 -1.870 2.046
48 HB3 TYR 6 HB1 TYR 6 -2.629 -0.838 2.490
49 HD1 TYR 6 HD2 TYR 6 -2.935 1.355 1.082
50 HD2 TYR 6 HD1 TYR 6 -0.655 -2.039 -0.201
51 HE1 TYR 6 HE2 TYR 6 -3.143 2.104 -1.276
52 HE2 TYR 6 HE1 TYR 6 -0.859 -1.309 -2.554
53 HH TYR 6 HH TYR 6 -1.337 0.587 -3.850
54 H GLY 7 HN GLY 7 0.482 -1.901 3.869
55 HA2 GLY 7 HA2 GLY 7 -0.910 -2.010 6.344
56 HA3 GLY 7 HA1 GLY 7 0.591 -2.852 5.961
57 H ALA 8 HN ALA 8 2.030 -0.444 5.247
58 HA ALA 8 HA ALA 8 3.129 0.202 7.750
59 HB1 ALA 8 HB1 ALA 8 3.345 1.802 5.194
60 HB2 ALA 8 HB2 ALA 8 4.325 0.384 5.567
61 HB3 ALA 8 HB3 ALA 8 4.462 1.837 6.558
62 H GLY 9 HN GLY 9 0.720 1.839 5.750
63 HA2 GLY 9 HA2 GLY 9 0.615 4.259 7.225
64 HA3 GLY 9 HA1 GLY 9 -0.660 3.637 6.177
65 H VAL 10 HN VAL 10 -1.255 1.252 7.404
66 HA VAL 10 HA VAL 10 -2.903 2.107 9.582
67 HB VAL 10 HB VAL 10 -2.276 -0.673 8.559
68 HG11 VAL 10 HG11 VAL 10 -4.377 0.401 10.455
69 HG12 VAL 10 HG12 VAL 10 -3.166 -0.838 10.782
70 HG13 VAL 10 HG13 VAL 10 -4.497 -1.178 9.678
71 HG21 VAL 10 HG21 VAL 10 -4.639 1.149 8.013
72 HG22 VAL 10 HG22 VAL 10 -4.371 -0.453 7.327
73 HG23 VAL 10 HG23 VAL 10 -3.304 0.882 6.891
74 H ALA 11 HN ALA 11 0.257 0.730 9.281
75 HA ALA 11 HA ALA 11 1.813 0.041 10.831
76 HB1 ALA 11 HB1 ALA 11 0.267 2.000 12.550
77 HB2 ALA 11 HB2 ALA 11 1.622 2.396 11.491
78 HB3 ALA 11 HB3 ALA 11 1.878 1.375 12.905
79 H SER 12 HN SER 12 -0.582 -1.541 10.574
80 HA SER 12 HA SER 12 -1.560 -3.361 11.571
81 HB2 SER 12 HB2 SER 12 0.869 -3.679 12.339
82 HB3 SER 12 HB1 SER 12 0.346 -3.009 13.881
83 HG SER 12 HG SER 12 -1.444 -4.695 13.529
84 H LEU 13 HN LEU 13 -2.198 -0.456 12.312
85 HA LEU 13 HA LEU 13 -3.596 0.682 13.738
86 HB2 LEU 13 HB2 LEU 13 -5.013 -1.271 12.758
87 HB3 LEU 13 HB1 LEU 13 -4.860 -1.980 14.363
88 HG LEU 13 HG LEU 13 -5.666 0.403 15.186
89 HD11 LEU 13 HD11 LEU 13 -6.774 0.288 12.359
90 HD12 LEU 13 HD12 LEU 13 -5.597 1.462 12.943
91 HD13 LEU 13 HD13 LEU 13 -7.232 1.459 13.594
92 HD21 LEU 13 HD21 LEU 13 -6.928 -1.707 15.475
93 HD22 LEU 13 HD22 LEU 13 -7.546 -1.559 13.831
94 HD23 LEU 13 HD23 LEU 13 -8.009 -0.378 15.053
95 HA PRO 14 HA PRO 14 -1.564 -0.745 17.614
96 HB2 PRO 14 HB2 PRO 14 0.514 0.995 17.725
97 HB3 PRO 14 HB1 PRO 14 0.566 -0.475 16.731
98 HG2 PRO 14 HG2 PRO 14 0.310 2.342 15.883
99 HG3 PRO 14 HG1 PRO 14 0.884 0.940 14.973
100 HD2 PRO 14 HD2 PRO 14 -1.763 2.140 14.906
101 HD3 PRO 14 HD1 PRO 14 -1.156 0.775 13.947
102 H LEU 15 HN LEU 15 -0.959 2.710 17.100
103 HA LEU 15 HA LEU 15 -1.852 3.500 19.651
104 HB2 LEU 15 HB2 LEU 15 -1.436 5.072 17.100
105 HB3 LEU 15 HB1 LEU 15 -1.789 5.815 18.659
106 HG LEU 15 HG LEU 15 0.557 3.959 18.151
107 HD11 LEU 15 HD11 LEU 15 1.932 6.015 18.179
108 HD12 LEU 15 HD12 LEU 15 0.465 6.988 18.283
109 HD13 LEU 15 HD13 LEU 15 0.784 6.024 16.840
110 HD21 LEU 15 HD21 LEU 15 -0.448 5.513 20.530
111 HD22 LEU 15 HD22 LEU 15 1.292 5.320 20.326
112 HD23 LEU 15 HD23 LEU 15 0.262 3.901 20.464
113 H LEU 16 HN LEU 16 -3.445 3.467 16.494
114 HA LEU 16 HA LEU 16 -5.785 4.848 17.239
115 HB2 LEU 16 HB2 LEU 16 -5.127 2.849 15.082
116 HB3 LEU 16 HB1 LEU 16 -6.781 3.424 15.290
117 HG LEU 16 HG LEU 16 -6.029 5.746 15.026
118 HD11 LEU 16 HD11 LEU 16 -3.313 4.427 14.865
119 HD12 LEU 16 HD12 LEU 16 -3.831 5.726 15.939
120 HD13 LEU 16 HD13 LEU 16 -3.605 6.041 14.220
121 HD21 LEU 16 HD21 LEU 16 -5.342 5.612 12.648
122 HD22 LEU 16 HD22 LEU 16 -6.634 4.467 13.003
123 HD23 LEU 16 HD23 LEU 16 -4.970 3.902 12.858
124 H ASN 17 HN ASN 17 -4.934 1.406 17.346
125 HA ASN 17 HA ASN 17 -7.457 0.435 18.166
126 HB2 ASN 17 HB2 ASN 17 -5.670 -1.023 17.313
127 HB3 ASN 17 HB1 ASN 17 -4.699 -0.670 18.740
128 HD21 ASN 17 HD21 ASN 17 -5.360 -3.341 18.273
129 HD22 ASN 17 HD22 ASN 17 -6.520 -3.852 19.404
130 H VAL 18 HN VAL 18 -4.622 1.526 20.000
131 HA VAL 18 HA VAL 18 -5.628 0.891 22.569
132 HB VAL 18 HB VAL 18 -3.589 2.940 21.672
133 HG11 VAL 18 HG11 VAL 18 -4.366 3.669 23.819
134 HG12 VAL 18 HG12 VAL 18 -2.869 2.785 24.114
135 HG13 VAL 18 HG13 VAL 18 -4.425 2.016 24.430
136 HG21 VAL 18 HG21 VAL 18 -1.972 1.272 22.361
137 HG22 VAL 18 HG22 VAL 18 -3.117 0.497 21.267
138 HG23 VAL 18 HG23 VAL 18 -3.246 0.239 23.007
139 H ILE 19 HN ILE 19 -5.659 3.893 20.669
140 HA ILE 19 HA ILE 19 -7.036 5.459 22.588
141 HB ILE 19 HB ILE 19 -6.806 5.716 19.578
142 HG12 ILE 19 HG12 ILE 19 -5.477 7.298 21.796
143 HG13 ILE 19 HG11 ILE 19 -4.735 5.887 21.042
144 HG21 ILE 19 HG21 ILE 19 -7.445 8.159 20.160
145 HG22 ILE 19 HG22 ILE 19 -8.084 7.494 21.662
146 HG23 ILE 19 HG23 ILE 19 -8.744 6.968 20.115
147 HD11 ILE 19 HD11 ILE 19 -4.677 6.944 18.897
148 HD12 ILE 19 HD12 ILE 19 -4.073 8.140 20.045
149 HD13 ILE 19 HD13 ILE 19 -5.726 8.254 19.440
150 H ALA 20 HN ALA 20 -8.111 3.529 19.822
151 HA ALA 20 HA ALA 20 -10.922 4.094 20.365
152 HB1 ALA 20 HB1 ALA 20 -11.300 2.549 18.437
153 HB2 ALA 20 HB2 ALA 20 -9.556 2.309 18.336
154 HB3 ALA 20 HB3 ALA 20 -10.244 3.906 18.046
155 HN1 NH2 21 H2 NH2 21 -9.750 0.766 22.222
156 HN2 NH2 21 H1 NH2 21 -8.685 1.993 21.728
Start of MODEL 48
1 H1 ACE 0 HA2 ACE 0 4.547 -7.376 2.442
2 H2 ACE 0 HA3 ACE 0 6.259 -7.079 2.746
3 H3 ACE 0 HA1 ACE 0 5.734 -8.633 2.097
4 H LEU 1 HN LEU 1 7.398 -6.089 1.185
5 HA LEU 1 HA LEU 1 7.648 -4.796 -0.737
6 HB2 LEU 1 HB2 LEU 1 7.255 -7.603 -1.792
7 HB3 LEU 1 HB1 LEU 1 7.938 -6.274 -2.727
8 HG LEU 1 HG LEU 1 9.060 -7.192 -0.067
9 HD11 LEU 1 HD11 LEU 1 9.973 -7.918 -2.870
10 HD12 LEU 1 HD12 LEU 1 9.191 -9.013 -1.728
11 HD13 LEU 1 HD13 LEU 1 10.791 -8.363 -1.372
12 HD21 LEU 1 HD21 LEU 1 9.914 -5.218 -2.184
13 HD22 LEU 1 HD22 LEU 1 11.139 -6.028 -1.209
14 HD23 LEU 1 HD23 LEU 1 9.912 -5.040 -0.431
15 H GLY 2 HN GLY 2 4.863 -4.934 0.192
16 HA2 GLY 2 HA2 GLY 2 3.600 -3.997 -2.259
17 HA3 GLY 2 HA1 GLY 2 2.856 -5.415 -1.525
18 H LEU 3 HN LEU 3 2.901 -4.991 1.103
19 HA LEU 3 HA LEU 3 1.037 -2.783 1.449
20 HB2 LEU 3 HB2 LEU 3 2.043 -4.912 3.348
21 HB3 LEU 3 HB1 LEU 3 0.839 -3.701 3.772
22 HG LEU 3 HG LEU 3 0.549 -5.665 1.475
23 HD11 LEU 3 HD11 LEU 3 0.596 -6.760 3.720
24 HD12 LEU 3 HD12 LEU 3 -0.974 -6.897 2.930
25 HD13 LEU 3 HD13 LEU 3 -0.737 -5.720 4.221
26 HD21 LEU 3 HD21 LEU 3 -1.950 -4.924 1.931
27 HD22 LEU 3 HD22 LEU 3 -0.903 -3.890 0.969
28 HD23 LEU 3 HD23 LEU 3 -1.198 -3.508 2.665
29 H LEU 4 HN LEU 4 4.374 -3.237 1.713
30 HA LEU 4 HA LEU 4 4.992 -1.654 3.977
31 HB2 LEU 4 HB2 LEU 4 6.550 -2.154 1.430
32 HB3 LEU 4 HB1 LEU 4 7.213 -1.359 2.854
33 HG LEU 4 HG LEU 4 6.062 -4.166 2.806
34 HD11 LEU 4 HD11 LEU 4 8.227 -3.808 1.545
35 HD12 LEU 4 HD12 LEU 4 8.339 -4.947 2.887
36 HD13 LEU 4 HD13 LEU 4 8.952 -3.303 3.070
37 HD21 LEU 4 HD21 LEU 4 7.494 -4.106 5.069
38 HD22 LEU 4 HD22 LEU 4 5.826 -3.544 5.037
39 HD23 LEU 4 HD23 LEU 4 7.147 -2.379 4.970
40 H SER 5 HN SER 5 4.572 -0.841 0.547
41 HA SER 5 HA SER 5 4.982 2.001 1.069
42 HB2 SER 5 HB2 SER 5 4.252 0.489 -1.451
43 HB3 SER 5 HB1 SER 5 4.547 2.224 -1.374
44 HG SER 5 HG SER 5 6.525 0.908 -0.133
45 H TYR 6 HN TYR 6 2.350 -0.034 -0.228
46 HA TYR 6 HA TYR 6 0.381 1.999 -0.207
47 HB2 TYR 6 HB2 TYR 6 0.092 -0.023 -1.532
48 HB3 TYR 6 HB1 TYR 6 0.102 -1.013 -0.073
49 HD1 TYR 6 HD1 TYR 6 -1.803 1.515 -2.000
50 HD2 TYR 6 HD2 TYR 6 -1.823 -1.141 1.375
51 HE1 TYR 6 HE1 TYR 6 -4.246 1.857 -1.742
52 HE2 TYR 6 HE2 TYR 6 -4.265 -0.799 1.631
53 HH TYR 6 HH TYR 6 -6.173 0.665 -0.770
54 H GLY 7 HN GLY 7 1.172 -0.567 2.122
55 HA2 GLY 7 HA2 GLY 7 -0.785 0.444 4.041
56 HA3 GLY 7 HA1 GLY 7 0.222 -0.988 4.223
57 H ALA 8 HN ALA 8 1.772 1.941 3.221
58 HA ALA 8 HA ALA 8 3.608 1.960 5.343
59 HB1 ALA 8 HB1 ALA 8 4.298 4.124 4.523
60 HB2 ALA 8 HB2 ALA 8 2.759 4.350 3.694
61 HB3 ALA 8 HB3 ALA 8 3.891 3.121 3.133
62 H GLY 9 HN GLY 9 2.138 1.638 7.160
63 HA2 GLY 9 HA2 GLY 9 1.873 3.333 9.094
64 HA3 GLY 9 HA1 GLY 9 0.648 4.038 8.035
65 H VAL 10 HN VAL 10 1.515 0.667 8.544
66 HA VAL 10 HA VAL 10 -1.096 -0.312 8.536
67 HB VAL 10 HB VAL 10 -0.137 -2.377 9.352
68 HG11 VAL 10 HG11 VAL 10 1.521 -2.717 7.642
69 HG12 VAL 10 HG12 VAL 10 1.913 -1.000 7.610
70 HG13 VAL 10 HG13 VAL 10 0.352 -1.556 7.008
71 HG21 VAL 10 HG21 VAL 10 2.347 -2.340 9.970
72 HG22 VAL 10 HG22 VAL 10 1.238 -1.679 11.171
73 HG23 VAL 10 HG23 VAL 10 2.170 -0.594 10.140
74 H ALA 11 HN ALA 11 0.781 1.086 11.106
75 HA ALA 11 HA ALA 11 -0.755 0.034 13.273
76 HB1 ALA 11 HB1 ALA 11 1.522 0.885 13.586
77 HB2 ALA 11 HB2 ALA 11 0.379 1.761 14.604
78 HB3 ALA 11 HB3 ALA 11 0.988 2.501 13.124
79 H SER 12 HN SER 12 -2.159 1.430 10.958
80 HA SER 12 HA SER 12 -3.341 3.783 12.180
81 HB2 SER 12 HB2 SER 12 -4.549 4.002 10.082
82 HB3 SER 12 HB1 SER 12 -2.848 3.692 9.756
83 HG SER 12 HG SER 12 -4.255 2.378 8.497
84 H LEU 13 HN LEU 13 -3.934 0.483 12.448
85 HA LEU 13 HA LEU 13 -6.672 1.035 13.395
86 HB2 LEU 13 HB2 LEU 13 -6.126 -0.350 11.001
87 HB3 LEU 13 HB1 LEU 13 -6.517 -1.617 12.156
88 HG LEU 13 HG LEU 13 -8.570 -0.135 12.775
89 HD11 LEU 13 HD11 LEU 13 -7.760 1.036 10.094
90 HD12 LEU 13 HD12 LEU 13 -7.925 1.903 11.621
91 HD13 LEU 13 HD13 LEU 13 -9.352 1.242 10.825
92 HD21 LEU 13 HD21 LEU 13 -8.732 -2.281 11.580
93 HD22 LEU 13 HD22 LEU 13 -8.367 -1.471 10.056
94 HD23 LEU 13 HD23 LEU 13 -9.872 -1.117 10.905
95 HA PRO 14 HA PRO 14 -5.067 -2.991 15.542
96 HB2 PRO 14 HB2 PRO 14 -2.122 -2.825 15.152
97 HB3 PRO 14 HB1 PRO 14 -3.202 -4.222 14.981
98 HG2 PRO 14 HG2 PRO 14 -2.116 -3.030 12.847
99 HG3 PRO 14 HG1 PRO 14 -3.759 -3.695 12.802
100 HD2 PRO 14 HD2 PRO 14 -2.897 -0.834 13.111
101 HD3 PRO 14 HD1 PRO 14 -4.214 -1.505 12.124
102 H LEU 15 HN LEU 15 -2.154 -0.933 15.694
103 HA LEU 15 HA LEU 15 -2.159 -0.791 18.518
104 HB2 LEU 15 HB2 LEU 15 -0.773 0.893 16.429
105 HB3 LEU 15 HB1 LEU 15 -0.494 1.075 18.157
106 HG LEU 15 HG LEU 15 -0.159 -1.543 16.664
107 HD11 LEU 15 HD11 LEU 15 2.306 -1.053 16.916
108 HD12 LEU 15 HD12 LEU 15 1.868 0.589 17.386
109 HD13 LEU 15 HD13 LEU 15 1.466 -0.004 15.775
110 HD21 LEU 15 HD21 LEU 15 0.275 -0.634 19.502
111 HD22 LEU 15 HD22 LEU 15 1.381 -1.834 18.835
112 HD23 LEU 15 HD23 LEU 15 -0.344 -2.169 18.895
113 H LEU 16 HN LEU 16 -3.428 1.346 16.015
114 HA LEU 16 HA LEU 16 -4.036 3.565 17.610
115 HB2 LEU 16 HB2 LEU 16 -4.180 3.622 15.162
116 HB3 LEU 16 HB1 LEU 16 -5.514 2.474 15.198
117 HG LEU 16 HG LEU 16 -6.910 4.088 16.410
118 HD11 LEU 16 HD11 LEU 16 -5.476 5.369 17.752
119 HD12 LEU 16 HD12 LEU 16 -5.911 6.512 16.485
120 HD13 LEU 16 HD13 LEU 16 -4.354 5.686 16.429
121 HD21 LEU 16 HD21 LEU 16 -6.955 5.887 14.597
122 HD22 LEU 16 HD22 LEU 16 -7.080 4.222 14.032
123 HD23 LEU 16 HD23 LEU 16 -5.547 5.084 13.899
124 H ASN 17 HN ASN 17 -5.864 0.618 16.937
125 HA ASN 17 HA ASN 17 -8.238 1.305 18.294
126 HB2 ASN 17 HB2 ASN 17 -8.181 -0.570 16.768
127 HB3 ASN 17 HB1 ASN 17 -6.982 -1.395 17.762
128 HD21 ASN 17 HD21 ASN 17 -10.360 -0.183 17.843
129 HD22 ASN 17 HD22 ASN 17 -10.893 -1.299 19.006
130 H VAL 18 HN VAL 18 -5.224 -0.182 19.400
131 HA VAL 18 HA VAL 18 -6.084 -0.914 21.987
132 HB VAL 18 HB VAL 18 -3.349 -0.180 20.923
133 HG11 VAL 18 HG11 VAL 18 -2.618 -1.536 22.994
134 HG12 VAL 18 HG12 VAL 18 -4.238 -1.224 23.614
135 HG13 VAL 18 HG13 VAL 18 -3.154 0.122 23.264
136 HG21 VAL 18 HG21 VAL 18 -3.063 -2.669 21.008
137 HG22 VAL 18 HG22 VAL 18 -4.318 -2.155 19.882
138 HG23 VAL 18 HG23 VAL 18 -4.763 -2.809 21.458
139 H ILE 19 HN ILE 19 -4.485 2.039 20.792
140 HA ILE 19 HA ILE 19 -4.438 3.362 23.311
141 HB ILE 19 HB ILE 19 -4.505 4.614 20.555
142 HG12 ILE 19 HG12 ILE 19 -2.707 2.983 20.640
143 HG13 ILE 19 HG11 ILE 19 -2.013 4.594 20.760
144 HG21 ILE 19 HG21 ILE 19 -4.859 6.276 22.248
145 HG22 ILE 19 HG22 ILE 19 -3.170 6.394 21.759
146 HG23 ILE 19 HG23 ILE 19 -3.594 5.592 23.270
147 HD11 ILE 19 HD11 ILE 19 -2.229 4.165 23.364
148 HD12 ILE 19 HD12 ILE 19 -0.879 3.483 22.462
149 HD13 ILE 19 HD13 ILE 19 -2.264 2.474 22.870
150 H ALA 20 HN ALA 20 -6.717 3.384 20.586
151 HA ALA 20 HA ALA 20 -8.474 5.287 21.834
152 HB1 ALA 20 HB1 ALA 20 -9.107 3.356 19.591
153 HB2 ALA 20 HB2 ALA 20 -8.335 4.924 19.357
154 HB3 ALA 20 HB3 ALA 20 -9.975 4.837 19.997
155 HN1 NH2 21 H2 NH2 21 -9.481 1.539 23.002
156 HN2 NH2 21 H1 NH2 21 -8.091 1.823 22.072
Start of MODEL 49
1 H1 ACE 0 HA2 ACE 0 -0.067 -4.662 -4.505
2 H2 ACE 0 HA3 ACE 0 0.515 -5.858 -5.663
3 H3 ACE 0 HA1 ACE 0 1.333 -4.304 -5.515
4 H LEU 1 HN LEU 1 0.196 -5.824 -2.633
5 HA LEU 1 HA LEU 1 1.318 -6.555 -0.763
6 HB2 LEU 1 HB2 LEU 1 2.844 -7.988 -2.943
7 HB3 LEU 1 HB1 LEU 1 3.013 -8.351 -1.227
8 HG LEU 1 HG LEU 1 0.361 -8.408 -2.696
9 HD11 LEU 1 HD11 LEU 1 0.622 -10.870 -2.700
10 HD12 LEU 1 HD12 LEU 1 2.248 -10.691 -2.040
11 HD13 LEU 1 HD13 LEU 1 1.880 -10.085 -3.655
12 HD21 LEU 1 HD21 LEU 1 -0.063 -10.014 -0.632
13 HD22 LEU 1 HD22 LEU 1 -0.167 -8.271 -0.417
14 HD23 LEU 1 HD23 LEU 1 1.286 -9.134 0.084
15 H GLY 2 HN GLY 2 2.547 -4.283 -2.637
16 HA2 GLY 2 HA2 GLY 2 5.197 -4.150 -1.307
17 HA3 GLY 2 HA1 GLY 2 4.769 -3.327 -2.806
18 H LEU 3 HN LEU 3 2.446 -2.117 -2.303
19 HA LEU 3 HA LEU 3 3.164 0.144 -0.748
20 HB2 LEU 3 HB2 LEU 3 0.386 -0.654 -1.653
21 HB3 LEU 3 HB1 LEU 3 0.950 0.967 -1.247
22 HG LEU 3 HG LEU 3 2.017 -0.722 -3.531
23 HD11 LEU 3 HD11 LEU 3 -0.269 0.024 -3.970
24 HD12 LEU 3 HD12 LEU 3 0.853 0.965 -4.953
25 HD13 LEU 3 HD13 LEU 3 0.150 1.670 -3.498
26 HD21 LEU 3 HD21 LEU 3 3.773 0.727 -2.906
27 HD22 LEU 3 HD22 LEU 3 2.670 2.026 -2.459
28 HD23 LEU 3 HD23 LEU 3 2.939 1.641 -4.159
29 H LEU 4 HN LEU 4 1.322 -2.756 -0.095
30 HA LEU 4 HA LEU 4 0.014 -1.955 2.261
31 HB2 LEU 4 HB2 LEU 4 0.881 -4.614 1.151
32 HB3 LEU 4 HB1 LEU 4 0.172 -4.521 2.758
33 HG LEU 4 HG LEU 4 -1.468 -4.995 0.887
34 HD11 LEU 4 HD11 LEU 4 -3.186 -3.838 1.925
35 HD12 LEU 4 HD12 LEU 4 -2.247 -2.361 2.111
36 HD13 LEU 4 HD13 LEU 4 -1.947 -3.737 3.172
37 HD21 LEU 4 HD21 LEU 4 -2.061 -3.270 -0.656
38 HD22 LEU 4 HD22 LEU 4 -0.303 -3.381 -0.700
39 HD23 LEU 4 HD23 LEU 4 -1.080 -2.075 0.193
40 H SER 5 HN SER 5 3.249 -3.312 1.728
41 HA SER 5 HA SER 5 3.954 -3.792 4.389
42 HB2 SER 5 HB2 SER 5 5.682 -2.879 2.080
43 HB3 SER 5 HB1 SER 5 6.302 -3.485 3.612
44 HG SER 5 HG SER 5 4.378 -5.019 2.307
45 H TYR 6 HN TYR 6 4.259 -0.819 2.454
46 HA TYR 6 HA TYR 6 5.475 0.720 4.520
47 HB2 TYR 6 HB2 TYR 6 3.955 1.512 2.030
48 HB3 TYR 6 HB1 TYR 6 4.728 2.674 3.108
49 HD1 TYR 6 HD1 TYR 6 7.226 2.380 3.611
50 HD2 TYR 6 HD2 TYR 6 5.225 0.376 0.380
51 HE1 TYR 6 HE1 TYR 6 9.411 1.968 2.514
52 HE2 TYR 6 HE2 TYR 6 7.410 -0.035 -0.717
53 HH TYR 6 HH TYR 6 9.722 -0.143 -0.222
54 H GLY 7 HN GLY 7 2.133 0.238 3.470
55 HA2 GLY 7 HA2 GLY 7 1.115 2.004 5.580
56 HA3 GLY 7 HA1 GLY 7 0.169 1.240 4.305
57 H ALA 8 HN ALA 8 2.383 -0.843 5.848
58 HA ALA 8 HA ALA 8 0.423 -2.635 6.750
59 HB1 ALA 8 HB1 ALA 8 3.286 -2.333 7.687
60 HB2 ALA 8 HB2 ALA 8 2.740 -3.312 6.326
61 HB3 ALA 8 HB3 ALA 8 2.260 -3.741 7.967
62 H GLY 9 HN GLY 9 1.871 0.147 8.284
63 HA2 GLY 9 HA2 GLY 9 -0.070 0.003 10.438
64 HA3 GLY 9 HA1 GLY 9 1.606 -0.190 10.952
65 H VAL 10 HN VAL 10 2.271 1.656 11.830
66 HA VAL 10 HA VAL 10 2.816 3.864 12.098
67 HB VAL 10 HB VAL 10 2.049 4.227 9.200
68 HG11 VAL 10 HG11 VAL 10 2.483 6.318 10.321
69 HG12 VAL 10 HG12 VAL 10 3.907 5.934 9.358
70 HG13 VAL 10 HG13 VAL 10 3.924 5.662 11.098
71 HG21 VAL 10 HG21 VAL 10 3.560 2.321 9.343
72 HG22 VAL 10 HG22 VAL 10 4.629 3.212 10.426
73 HG23 VAL 10 HG23 VAL 10 4.459 3.715 8.743
74 H ALA 11 HN ALA 11 -0.240 2.809 11.207
75 HA ALA 11 HA ALA 11 -1.528 4.967 12.588
76 HB1 ALA 11 HB1 ALA 11 -1.774 4.758 9.588
77 HB2 ALA 11 HB2 ALA 11 -1.388 6.181 10.556
78 HB3 ALA 11 HB3 ALA 11 -3.020 5.517 10.578
79 H SER 12 HN SER 12 -1.832 2.214 10.399
80 HA SER 12 HA SER 12 -4.488 1.538 11.346
81 HB2 SER 12 HB2 SER 12 -3.979 1.058 9.038
82 HB3 SER 12 HB1 SER 12 -2.550 0.135 9.496
83 HG SER 12 HG SER 12 -3.959 -1.318 10.582
84 H LEU 13 HN LEU 13 -1.639 1.380 12.848
85 HA LEU 13 HA LEU 13 -2.394 -1.061 14.321
86 HB2 LEU 13 HB2 LEU 13 -0.092 -0.804 12.627
87 HB3 LEU 13 HB1 LEU 13 0.492 -0.871 14.284
88 HG LEU 13 HG LEU 13 -1.505 -2.860 13.159
89 HD11 LEU 13 HD11 LEU 13 0.485 -4.392 13.016
90 HD12 LEU 13 HD12 LEU 13 1.519 -2.989 13.291
91 HD13 LEU 13 HD13 LEU 13 0.513 -3.072 11.845
92 HD21 LEU 13 HD21 LEU 13 0.251 -2.756 15.632
93 HD22 LEU 13 HD22 LEU 13 -0.564 -4.222 15.091
94 HD23 LEU 13 HD23 LEU 13 -1.510 -2.814 15.571
95 HA PRO 14 HA PRO 14 0.145 1.738 17.286
96 HB2 PRO 14 HB2 PRO 14 0.328 4.363 15.909
97 HB3 PRO 14 HB1 PRO 14 1.607 3.421 16.700
98 HG2 PRO 14 HG2 PRO 14 1.494 3.687 14.034
99 HG3 PRO 14 HG1 PRO 14 2.052 2.186 14.800
100 HD2 PRO 14 HD2 PRO 14 -0.647 2.795 13.609
101 HD3 PRO 14 HD1 PRO 14 0.351 1.335 13.439
102 H LEU 15 HN LEU 15 -1.629 4.189 15.405
103 HA LEU 15 HA LEU 15 -3.056 5.213 17.625
104 HB2 LEU 15 HB2 LEU 15 -3.524 5.456 14.648
105 HB3 LEU 15 HB1 LEU 15 -4.447 6.347 15.855
106 HG LEU 15 HG LEU 15 -1.422 6.445 15.644
107 HD11 LEU 15 HD11 LEU 15 -3.480 8.408 14.586
108 HD12 LEU 15 HD12 LEU 15 -2.483 7.339 13.598
109 HD13 LEU 15 HD13 LEU 15 -1.730 8.622 14.543
110 HD21 LEU 15 HD21 LEU 15 -3.496 7.857 17.323
111 HD22 LEU 15 HD22 LEU 15 -2.015 8.710 16.894
112 HD23 LEU 15 HD23 LEU 15 -1.929 7.206 17.801
113 H LEU 16 HN LEU 16 -3.851 2.864 15.121
114 HA LEU 16 HA LEU 16 -6.581 2.570 15.693
115 HB2 LEU 16 HB2 LEU 16 -5.499 1.691 13.654
116 HB3 LEU 16 HB1 LEU 16 -4.640 0.502 14.629
117 HG LEU 16 HG LEU 16 -6.798 -0.476 15.341
118 HD11 LEU 16 HD11 LEU 16 -7.875 1.839 13.745
119 HD12 LEU 16 HD12 LEU 16 -8.414 1.208 15.301
120 HD13 LEU 16 HD13 LEU 16 -8.807 0.343 13.821
121 HD21 LEU 16 HD21 LEU 16 -5.757 -1.451 13.398
122 HD22 LEU 16 HD22 LEU 16 -6.354 -0.156 12.359
123 HD23 LEU 16 HD23 LEU 16 -7.482 -1.323 13.053
124 H ASN 17 HN ASN 17 -3.731 0.926 17.022
125 HA ASN 17 HA ASN 17 -5.106 -0.980 18.579
126 HB2 ASN 17 HB2 ASN 17 -2.727 -1.192 18.170
127 HB3 ASN 17 HB1 ASN 17 -2.410 0.324 19.012
128 HD21 ASN 17 HD21 ASN 17 -3.525 -3.034 19.501
129 HD22 ASN 17 HD22 ASN 17 -3.202 -3.069 21.168
130 H VAL 18 HN VAL 18 -4.069 2.335 19.278
131 HA VAL 18 HA VAL 18 -4.777 2.361 22.015
132 HB VAL 18 HB VAL 18 -4.595 4.590 19.973
133 HG11 VAL 18 HG11 VAL 18 -4.399 6.017 22.103
134 HG12 VAL 18 HG12 VAL 18 -5.091 4.638 22.958
135 HG13 VAL 18 HG13 VAL 18 -6.014 5.442 21.688
136 HG21 VAL 18 HG21 VAL 18 -2.747 3.535 22.134
137 HG22 VAL 18 HG22 VAL 18 -2.477 5.049 21.274
138 HG23 VAL 18 HG23 VAL 18 -2.464 3.521 20.393
139 H ILE 19 HN ILE 19 -6.561 3.300 19.090
140 HA ILE 19 HA ILE 19 -8.931 4.117 20.405
141 HB ILE 19 HB ILE 19 -8.452 3.084 17.598
142 HG12 ILE 19 HG12 ILE 19 -8.980 5.895 18.599
143 HG13 ILE 19 HG11 ILE 19 -7.358 5.244 18.364
144 HG21 ILE 19 HG21 ILE 19 -10.684 4.282 17.182
145 HG22 ILE 19 HG22 ILE 19 -10.914 4.232 18.930
146 HG23 ILE 19 HG23 ILE 19 -10.774 2.731 18.016
147 HD11 ILE 19 HD11 ILE 19 -8.261 6.557 16.396
148 HD12 ILE 19 HD12 ILE 19 -9.463 5.283 16.185
149 HD13 ILE 19 HD13 ILE 19 -7.748 4.915 16.010
150 H ALA 20 HN ALA 20 -7.877 1.036 19.022
151 HA ALA 20 HA ALA 20 -10.309 -0.361 19.596
152 HB1 ALA 20 HB1 ALA 20 -7.513 -1.358 19.008
153 HB2 ALA 20 HB2 ALA 20 -8.837 -1.184 17.857
154 HB3 ALA 20 HB3 ALA 20 -8.933 -2.395 19.136
155 HN1 NH2 21 H2 NH2 21 -7.828 -0.654 22.825
156 HN2 NH2 21 H1 NH2 21 -7.304 0.159 21.431
Start of MODEL 50
1 H1 ACE 0 HA2 ACE 0 0.634 -5.174 -0.263
2 H2 ACE 0 HA3 ACE 0 0.009 -6.786 0.090
3 H3 ACE 0 HA1 ACE 0 -0.573 -5.903 -1.321
4 H LEU 1 HN LEU 1 1.482 -5.067 -2.674
5 HA LEU 1 HA LEU 1 2.619 -7.365 -3.861
6 HB2 LEU 1 HB2 LEU 1 3.338 -4.436 -4.047
7 HB3 LEU 1 HB1 LEU 1 4.075 -5.678 -5.057
8 HG LEU 1 HG LEU 1 1.081 -5.220 -4.886
9 HD11 LEU 1 HD11 LEU 1 3.002 -4.252 -7.025
10 HD12 LEU 1 HD12 LEU 1 2.311 -3.224 -5.769
11 HD13 LEU 1 HD13 LEU 1 1.260 -3.977 -6.969
12 HD21 LEU 1 HD21 LEU 1 1.374 -7.371 -5.782
13 HD22 LEU 1 HD22 LEU 1 2.892 -6.950 -6.574
14 HD23 LEU 1 HD23 LEU 1 1.362 -6.386 -7.241
15 H GLY 2 HN GLY 2 3.912 -4.964 -1.603
16 HA2 GLY 2 HA2 GLY 2 5.931 -6.878 -0.696
17 HA3 GLY 2 HA1 GLY 2 6.534 -5.382 -1.399
18 H LEU 3 HN LEU 3 3.631 -5.776 0.567
19 HA LEU 3 HA LEU 3 2.947 -4.786 2.494
20 HB2 LEU 3 HB2 LEU 3 4.167 -5.603 4.227
21 HB3 LEU 3 HB1 LEU 3 5.213 -6.267 2.984
22 HG LEU 3 HG LEU 3 6.438 -3.964 3.101
23 HD11 LEU 3 HD11 LEU 3 4.426 -3.530 5.103
24 HD12 LEU 3 HD12 LEU 3 5.755 -2.471 4.645
25 HD13 LEU 3 HD13 LEU 3 5.978 -3.647 5.933
26 HD21 LEU 3 HD21 LEU 3 7.487 -6.025 3.761
27 HD22 LEU 3 HD22 LEU 3 6.573 -6.071 5.269
28 HD23 LEU 3 HD23 LEU 3 7.809 -4.837 5.025
29 H LEU 4 HN LEU 4 4.926 -3.251 0.353
30 HA LEU 4 HA LEU 4 5.665 -0.879 1.681
31 HB2 LEU 4 HB2 LEU 4 6.562 -1.493 -0.516
32 HB3 LEU 4 HB1 LEU 4 4.958 -1.343 -1.227
33 HG LEU 4 HG LEU 4 4.910 1.051 -0.705
34 HD11 LEU 4 HD11 LEU 4 7.470 0.380 0.736
35 HD12 LEU 4 HD12 LEU 4 6.117 1.377 1.273
36 HD13 LEU 4 HD13 LEU 4 7.247 1.998 0.073
37 HD21 LEU 4 HD21 LEU 4 6.661 1.776 -2.250
38 HD22 LEU 4 HD22 LEU 4 5.964 0.260 -2.821
39 HD23 LEU 4 HD23 LEU 4 7.532 0.260 -2.014
40 H SER 5 HN SER 5 2.749 -1.740 -0.165
41 HA SER 5 HA SER 5 1.459 0.783 0.172
42 HB2 SER 5 HB2 SER 5 -0.571 -0.427 -0.558
43 HB3 SER 5 HB1 SER 5 0.802 -0.774 -1.604
44 HG SER 5 HG SER 5 0.937 -2.528 0.310
45 H TYR 6 HN TYR 6 1.552 -2.222 1.976
46 HA TYR 6 HA TYR 6 -0.547 -1.699 3.792
47 HB2 TYR 6 HB2 TYR 6 0.384 -3.930 3.528
48 HB3 TYR 6 HB1 TYR 6 1.958 -3.369 4.087
49 HD1 TYR 6 HD2 TYR 6 -1.605 -3.774 5.115
50 HD2 TYR 6 HD1 TYR 6 2.462 -3.263 6.398
51 HE1 TYR 6 HE2 TYR 6 -2.291 -4.205 7.457
52 HE2 TYR 6 HE1 TYR 6 1.776 -3.696 8.744
53 HH TYR 6 HH TYR 6 -0.406 -5.115 9.783
54 H GLY 7 HN GLY 7 2.931 -1.021 3.906
55 HA2 GLY 7 HA2 GLY 7 2.831 0.156 6.532
56 HA3 GLY 7 HA1 GLY 7 4.206 0.160 5.435
57 H ALA 8 HN ALA 8 1.610 1.281 3.701
58 HA ALA 8 HA ALA 8 2.602 3.955 3.626
59 HB1 ALA 8 HB1 ALA 8 1.483 2.983 1.683
60 HB2 ALA 8 HB2 ALA 8 0.608 4.414 2.226
61 HB3 ALA 8 HB3 ALA 8 -0.008 2.809 2.607
62 H GLY 9 HN GLY 9 0.721 2.347 5.864
63 HA2 GLY 9 HA2 GLY 9 -0.022 4.837 7.188
64 HA3 GLY 9 HA1 GLY 9 -1.361 3.790 6.720
65 H VAL 10 HN VAL 10 1.859 3.387 8.198
66 HA VAL 10 HA VAL 10 1.201 1.099 9.703
67 HB VAL 10 HB VAL 10 3.333 3.203 10.099
68 HG11 VAL 10 HG11 VAL 10 2.854 0.555 11.490
69 HG12 VAL 10 HG12 VAL 10 3.046 2.141 12.235
70 HG13 VAL 10 HG13 VAL 10 4.427 1.352 11.473
71 HG21 VAL 10 HG21 VAL 10 3.429 0.392 8.962
72 HG22 VAL 10 HG22 VAL 10 4.788 1.508 9.084
73 HG23 VAL 10 HG23 VAL 10 3.442 1.874 8.006
74 H ALA 11 HN ALA 11 1.228 4.545 10.548
75 HA ALA 11 HA ALA 11 0.599 4.348 13.262
76 HB1 ALA 11 HB1 ALA 11 -0.398 6.646 12.939
77 HB2 ALA 11 HB2 ALA 11 -0.101 6.452 11.211
78 HB3 ALA 11 HB3 ALA 11 1.252 6.463 12.342
79 H SER 12 HN SER 12 -1.212 3.323 10.646
80 HA SER 12 HA SER 12 -3.847 3.965 11.572
81 HB2 SER 12 HB2 SER 12 -3.153 3.433 9.181
82 HB3 SER 12 HB1 SER 12 -3.110 1.743 9.675
83 HG SER 12 HG SER 12 -5.233 3.355 9.142
84 H LEU 13 HN LEU 13 -1.575 1.721 12.699
85 HA LEU 13 HA LEU 13 -3.705 -0.078 13.727
86 HB2 LEU 13 HB2 LEU 13 -1.116 -0.585 12.509
87 HB3 LEU 13 HB1 LEU 13 -1.175 -1.317 14.108
88 HG LEU 13 HG LEU 13 -3.398 -2.359 13.413
89 HD11 LEU 13 HD11 LEU 13 -3.974 -2.395 11.074
90 HD12 LEU 13 HD12 LEU 13 -2.469 -1.591 10.633
91 HD13 LEU 13 HD13 LEU 13 -3.719 -0.703 11.500
92 HD21 LEU 13 HD21 LEU 13 -2.251 -4.045 11.899
93 HD22 LEU 13 HD22 LEU 13 -1.413 -3.728 13.420
94 HD23 LEU 13 HD23 LEU 13 -0.837 -2.992 11.925
95 HA PRO 14 HA PRO 14 -0.704 0.652 17.520
96 HB2 PRO 14 HB2 PRO 14 0.243 3.401 16.785
97 HB3 PRO 14 HB1 PRO 14 1.113 2.090 17.609
98 HG2 PRO 14 HG2 PRO 14 1.614 2.684 15.063
99 HG3 PRO 14 HG1 PRO 14 1.615 1.004 15.634
100 HD2 PRO 14 HD2 PRO 14 -0.472 2.444 14.034
101 HD3 PRO 14 HD1 PRO 14 0.057 0.755 13.937
102 H LEU 15 HN LEU 15 -2.091 3.579 16.008
103 HA LEU 15 HA LEU 15 -3.155 4.670 18.395
104 HB2 LEU 15 HB2 LEU 15 -3.907 5.054 15.492
105 HB3 LEU 15 HB1 LEU 15 -4.624 5.980 16.807
106 HG LEU 15 HG LEU 15 -1.632 5.816 16.342
107 HD11 LEU 15 HD11 LEU 15 -1.874 8.074 15.301
108 HD12 LEU 15 HD12 LEU 15 -3.626 7.881 15.362
109 HD13 LEU 15 HD13 LEU 15 -2.657 6.803 14.360
110 HD21 LEU 15 HD21 LEU 15 -1.900 8.114 17.613
111 HD22 LEU 15 HD22 LEU 15 -1.948 6.615 18.532
112 HD23 LEU 15 HD23 LEU 15 -3.449 7.446 18.125
113 H LEU 16 HN LEU 16 -4.517 2.571 15.900
114 HA LEU 16 HA LEU 16 -7.149 2.472 16.914
115 HB2 LEU 16 HB2 LEU 16 -5.527 0.709 15.096
116 HB3 LEU 16 HB1 LEU 16 -7.122 0.186 15.624
117 HG LEU 16 HG LEU 16 -7.124 1.407 13.430
118 HD11 LEU 16 HD11 LEU 16 -8.638 3.171 15.331
119 HD12 LEU 16 HD12 LEU 16 -9.038 1.454 15.287
120 HD13 LEU 16 HD13 LEU 16 -9.161 2.425 13.825
121 HD21 LEU 16 HD21 LEU 16 -6.510 3.871 15.078
122 HD22 LEU 16 HD22 LEU 16 -6.623 3.740 13.323
123 HD23 LEU 16 HD23 LEU 16 -5.273 2.995 14.179
124 H ASN 17 HN ASN 17 -4.262 0.572 17.584
125 HA ASN 17 HA ASN 17 -5.433 -1.484 19.090
126 HB2 ASN 17 HB2 ASN 17 -3.121 -1.592 18.328
127 HB3 ASN 17 HB1 ASN 17 -2.695 -0.221 19.352
128 HD21 ASN 17 HD21 ASN 17 -4.159 -3.512 19.644
129 HD22 ASN 17 HD22 ASN 17 -3.456 -3.839 21.154
130 H VAL 18 HN VAL 18 -4.314 1.743 20.046
131 HA VAL 18 HA VAL 18 -4.625 1.420 22.835
132 HB VAL 18 HB VAL 18 -4.835 3.905 21.115
133 HG11 VAL 18 HG11 VAL 18 -4.780 3.499 24.110
134 HG12 VAL 18 HG12 VAL 18 -5.928 4.438 23.158
135 HG13 VAL 18 HG13 VAL 18 -4.277 5.017 23.368
136 HG21 VAL 18 HG21 VAL 18 -2.593 2.677 22.749
137 HG22 VAL 18 HG22 VAL 18 -2.524 4.283 22.024
138 HG23 VAL 18 HG23 VAL 18 -2.641 2.855 20.995
139 H ILE 19 HN ILE 19 -6.833 2.639 20.332
140 HA ILE 19 HA ILE 19 -9.010 3.184 22.063
141 HB ILE 19 HB ILE 19 -9.093 2.397 19.142
142 HG12 ILE 19 HG12 ILE 19 -7.563 4.272 19.457
143 HG13 ILE 19 HG11 ILE 19 -9.054 4.853 18.726
144 HG21 ILE 19 HG21 ILE 19 -11.038 3.813 20.974
145 HG22 ILE 19 HG22 ILE 19 -11.296 2.323 20.066
146 HG23 ILE 19 HG23 ILE 19 -11.167 3.862 19.215
147 HD11 ILE 19 HD11 ILE 19 -8.668 6.439 20.407
148 HD12 ILE 19 HD12 ILE 19 -8.053 5.237 21.538
149 HD13 ILE 19 HD13 ILE 19 -9.779 5.329 21.205
150 H ALA 20 HN ALA 20 -8.113 0.330 20.155
151 HA ALA 20 HA ALA 20 -10.395 -1.218 20.830
152 HB1 ALA 20 HB1 ALA 20 -8.752 -1.672 18.950
153 HB2 ALA 20 HB2 ALA 20 -9.210 -3.078 19.911
154 HB3 ALA 20 HB3 ALA 20 -7.650 -2.299 20.177
155 HN1 NH2 21 H2 NH2 21 -7.552 -2.016 23.692
156 HN2 NH2 21 H1 NH2 21 -7.059 -1.349 22.210