NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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617921 |
5tbq   |
30178 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 2.913 3.719 1.637
2 H2 GLY 1 HT2 GLY 1 1.268 4.133 1.548
3 H3 GLY 1 HT3 GLY 1 2.271 4.331 0.186
4 HA2 GLY 1 HA1 GLY 1 0.866 1.997 1.106
5 HA3 GLY 1 HA2 GLY 1 1.567 2.331 -0.478
6 H GLU 2 HN GLU 2 1.786 -0.206 0.851
7 HA GLU 2 HA GLU 2 4.123 -0.670 2.338
8 HB2 GLU 2 HB2 GLU 2 2.398 -2.383 1.757
9 HB3 GLU 2 HB1 GLU 2 3.040 -2.428 0.115
10 HG2 GLU 2 HG2 GLU 2 5.286 -3.031 1.083
11 HG3 GLU 2 HG1 GLU 2 4.511 -3.160 2.663
12 H CGU 3 HN GLA 3 3.841 -0.796 -1.230
13 HA CGU 3 HA GLA 3 6.513 -1.291 -1.888
14 HB2 CGU 3 HB1 GLA 3 4.593 0.614 -3.309
15 HB3 CGU 3 HB2 GLA 3 4.677 -1.127 -3.607
16 HG CGU 3 HG GLA 3 6.959 0.846 -4.012
17 H CGU 4 HN GLA 4 5.032 1.824 -1.025
18 HA CGU 4 HA GLA 4 7.276 3.487 -1.572
19 HB2 CGU 4 HB1 GLA 4 6.206 4.808 0.478
20 HB3 CGU 4 HB2 GLA 4 4.895 3.656 0.236
21 HG CGU 4 HG GLA 4 4.949 4.311 -2.232
22 H LEU 5 HN LEU 5 6.411 1.573 1.284
23 HA LEU 5 HA LEU 5 8.783 2.431 2.769
24 HB2 LEU 5 HB2 LEU 5 6.583 0.410 3.234
25 HB3 LEU 5 HB1 LEU 5 8.008 0.460 4.271
26 HG LEU 5 HG LEU 5 7.433 3.064 4.333
27 HD11 LEU 5 HD11 LEU 5 5.344 2.263 2.800
28 HD12 LEU 5 HD12 LEU 5 5.283 3.663 3.866
29 HD13 LEU 5 HD13 LEU 5 4.627 2.117 4.403
30 HD21 LEU 5 HD21 LEU 5 7.412 2.236 6.450
31 HD22 LEU 5 HD22 LEU 5 6.625 0.737 5.955
32 HD23 LEU 5 HD23 LEU 5 5.663 2.186 6.240
33 H ALA 6 HN ALA 6 7.680 -0.466 1.015
34 HA ALA 6 HA ALA 6 9.871 -2.172 1.517
35 HB1 ALA 6 HB1 ALA 6 7.917 -2.950 0.287
36 HB2 ALA 6 HB2 ALA 6 9.348 -3.182 -0.717
37 HB3 ALA 6 HB3 ALA 6 8.260 -1.831 -1.031
38 H CGU 7 HN GLA 7 9.505 0.209 -1.141
39 HA CGU 7 HA GLA 7 12.044 -0.133 -2.338
40 HB2 CGU 7 HB1 GLA 7 11.762 2.289 -3.017
41 HB3 CGU 7 HB2 GLA 7 10.328 2.354 -1.995
42 HG CGU 7 HG GLA 7 9.574 0.230 -3.392
43 H LYS 8 HN LYS 8 11.077 2.205 0.194
44 HA LYS 8 HA LYS 8 13.689 3.225 0.711
45 HB2 LYS 8 HB2 LYS 8 11.261 2.975 2.512
46 HB3 LYS 8 HB1 LYS 8 12.713 3.884 2.937
47 HG2 LYS 8 HG2 LYS 8 12.372 5.479 1.248
48 HG3 LYS 8 HG1 LYS 8 11.305 4.416 0.328
49 HD2 LYS 8 HD2 LYS 8 9.699 4.561 2.333
50 HD3 LYS 8 HD1 LYS 8 10.697 5.902 2.892
51 HE2 LYS 8 HE2 LYS 8 8.756 6.687 1.551
52 HE3 LYS 8 HE1 LYS 8 10.295 7.112 0.797
53 HZ1 LYS 8 HZ1 LYS 8 9.096 4.531 0.083
54 HZ2 LYS 8 HZ2 LYS 8 10.004 5.616 -0.872
55 HZ3 LYS 8 HZ3 LYS 8 8.356 5.939 -0.554
56 H ALA 9 HN ALA 9 11.851 0.599 2.298
57 HA ALA 9 HA ALA 9 13.871 -0.139 4.170
58 HB1 ALA 9 HB1 ALA 9 12.111 -2.215 2.899
59 HB2 ALA 9 HB2 ALA 9 11.375 -0.941 3.871
60 HB3 ALA 9 HB3 ALA 9 12.564 -2.024 4.593
61 H CGU 10 HN GLA 10 13.386 -1.132 0.771
62 HA CGU 10 HA GLA 10 15.560 -3.047 0.904
63 HB2 CGU 10 HB1 GLA 10 13.922 -1.904 -1.373
64 HB3 CGU 10 HB2 GLA 10 13.880 -3.537 -0.710
65 HG CGU 10 HG GLA 10 16.377 -2.379 -1.886
66 H PHE 11 HN PHE 11 15.205 0.272 -0.428
67 HA PHE 11 HA PHE 11 17.927 0.465 -1.360
68 HB2 PHE 11 HB2 PHE 11 16.803 2.226 -2.253
69 HB3 PHE 11 HB1 PHE 11 15.630 2.258 -0.951
70 HD1 PHE 11 HD1 PHE 11 18.273 4.011 -2.467
71 HD2 PHE 11 HD2 PHE 11 16.633 3.104 1.394
72 HE1 PHE 11 HE1 PHE 11 19.317 6.060 -1.531
73 HE2 PHE 11 HE2 PHE 11 17.695 5.134 2.333
74 HZ PHE 11 HZ PHE 11 19.036 6.616 0.867
75 H ALA 12 HN ALA 12 16.343 1.050 1.740
76 HA ALA 12 HA ALA 12 18.528 2.265 3.098
77 HB1 ALA 12 HB1 ALA 12 16.347 0.417 4.117
78 HB2 ALA 12 HB2 ALA 12 16.325 2.180 4.123
79 HB3 ALA 12 HB3 ALA 12 17.452 1.309 5.164
80 H ARG 13 HN ARG 13 17.888 -1.088 2.223
81 HA ARG 13 HA ARG 13 20.009 -2.144 3.942
82 HB2 ARG 13 HB2 ARG 13 18.280 -3.291 1.752
83 HB3 ARG 13 HB1 ARG 13 19.616 -4.218 2.436
84 HG2 ARG 13 HG2 ARG 13 18.646 -4.268 4.584
85 HG3 ARG 13 HG1 ARG 13 17.571 -2.914 4.229
86 HD2 ARG 13 HD2 ARG 13 17.295 -5.358 2.537
87 HD3 ARG 13 HD1 ARG 13 16.703 -5.449 4.197
88 HE ARG 13 HE ARG 13 15.744 -3.018 2.974
89 HH11 ARG 13 HH11 ARG 13 15.236 -5.069 0.822
90 HH12 ARG 13 HH12 ARG 13 13.654 -5.637 1.264
91 HH21 ARG 13 HH21 ARG 13 13.795 -4.334 4.450
92 HH22 ARG 13 HH22 ARG 13 12.841 -5.217 3.311
93 H CGU 14 HN GLA 14 19.697 -2.139 0.361
94 HA CGU 14 HA GLA 14 22.389 -2.769 -0.180
95 HB2 CGU 14 HB1 GLA 14 21.911 -1.651 -2.421
96 HB3 CGU 14 HB2 GLA 14 20.334 -1.217 -1.773
97 HG CGU 14 HG GLA 14 21.186 -4.067 -1.493
98 H LEU 15 HN LEU 15 20.931 0.452 0.334
99 HA LEU 15 HA LEU 15 23.507 1.727 -0.253
100 HB2 LEU 15 HB2 LEU 15 20.776 2.750 0.547
101 HB3 LEU 15 HB1 LEU 15 22.177 3.821 0.480
102 HG LEU 15 HG LEU 15 22.513 2.733 -1.910
103 HD11 LEU 15 HD11 LEU 15 20.804 1.067 -1.842
104 HD12 LEU 15 HD12 LEU 15 20.221 2.327 -2.927
105 HD13 LEU 15 HD13 LEU 15 19.604 2.227 -1.280
106 HD21 LEU 15 HD21 LEU 15 21.022 5.017 -0.906
107 HD22 LEU 15 HD22 LEU 15 20.393 4.465 -2.459
108 HD23 LEU 15 HD23 LEU 15 22.091 4.909 -2.302
109 H ALA 16 HN ALA 16 22.063 0.340 2.526
110 HA ALA 16 HA ALA 16 23.284 2.099 4.494
111 HB1 ALA 16 HB1 ALA 16 22.015 -0.622 4.579
112 HB2 ALA 16 HB2 ALA 16 21.546 0.854 5.423
113 HB3 ALA 16 HB3 ALA 16 22.952 -0.061 5.964
114 H ASN 17 HN ASN 17 24.301 -0.908 2.878
115 HA ASN 17 HA ASN 17 26.636 -1.296 4.528
116 HB2 ASN 17 HB2 ASN 17 27.203 -3.038 3.077
117 HB3 ASN 17 HB1 ASN 17 25.456 -2.943 2.866
118 HD21 ASN 17 HD21 ASN 17 28.430 -1.456 1.446
119 HD22 ASN 17 HD22 ASN 17 27.840 -1.483 -0.156
120 H TYR 18 HN TYR 18 25.974 1.135 2.292
121 HA TYR 18 HA TYR 18 28.667 1.423 1.200
122 HB2 TYR 18 HB2 TYR 18 26.157 3.106 1.189
123 HB3 TYR 18 HB1 TYR 18 27.679 3.768 0.607
124 HD1 TYR 18 HD1 TYR 18 25.862 0.478 0.272
125 HD2 TYR 18 HD2 TYR 18 27.910 3.695 -1.711
126 HE1 TYR 18 HE1 TYR 18 25.533 -0.653 -1.907
127 HE2 TYR 18 HE2 TYR 18 27.577 2.557 -3.887
128 HH TYR 18 HH TYR 18 27.205 -0.086 -4.536
129 HN1 NH2 19 H1 NH2 19 28.621 1.280 4.127
130 HN2 NH2 19 H2 NH2 19 29.225 2.776 4.703
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 1.953 3.943 -0.328
2 H2 GLY 1 HT2 GLY 1 2.414 3.502 1.251
3 H3 GLY 1 HT3 GLY 1 0.773 3.758 0.884
4 HA2 GLY 1 HA1 GLY 1 0.663 1.539 0.656
5 HA3 GLY 1 HA2 GLY 1 1.428 1.847 -0.904
6 H GLU 2 HN GLU 2 1.883 -0.580 0.459
7 HA GLU 2 HA GLU 2 4.157 -0.630 2.164
8 HB2 GLU 2 HB2 GLU 2 2.803 -2.615 1.864
9 HB3 GLU 2 HB1 GLU 2 3.164 -2.660 0.139
10 HG2 GLU 2 HG2 GLU 2 4.518 -4.274 1.571
11 HG3 GLU 2 HG1 GLU 2 5.472 -3.203 0.549
12 H CGU 3 HN GLA 3 4.047 -1.038 -1.398
13 HA CGU 3 HA GLA 3 6.765 -1.334 -1.943
14 HB2 CGU 3 HB1 GLA 3 4.799 0.420 -3.494
15 HB3 CGU 3 HB2 GLA 3 4.986 -1.321 -3.738
16 HG CGU 3 HG GLA 3 7.183 0.753 -4.089
17 H CGU 4 HN GLA 4 5.058 1.672 -1.132
18 HA CGU 4 HA GLA 4 7.217 3.474 -1.642
19 HB2 CGU 4 HB1 GLA 4 5.978 4.755 0.336
20 HB3 CGU 4 HB2 GLA 4 4.753 3.517 0.066
21 HG CGU 4 HG GLA 4 4.882 4.133 -2.417
22 H LEU 5 HN LEU 5 6.377 1.463 1.137
23 HA LEU 5 HA LEU 5 8.616 2.473 2.749
24 HB2 LEU 5 HB2 LEU 5 6.545 0.290 3.121
25 HB3 LEU 5 HB1 LEU 5 7.877 0.527 4.251
26 HG LEU 5 HG LEU 5 7.058 3.039 4.223
27 HD11 LEU 5 HD11 LEU 5 4.466 2.927 4.131
28 HD12 LEU 5 HD12 LEU 5 4.712 1.468 3.171
29 HD13 LEU 5 HD13 LEU 5 5.347 3.013 2.606
30 HD21 LEU 5 HD21 LEU 5 5.752 0.725 5.670
31 HD22 LEU 5 HD22 LEU 5 5.417 2.410 6.076
32 HD23 LEU 5 HD23 LEU 5 7.051 1.768 6.250
33 H ALA 6 HN ALA 6 7.690 -0.544 1.077
34 HA ALA 6 HA ALA 6 9.943 -2.117 1.623
35 HB1 ALA 6 HB1 ALA 6 7.781 -2.366 -0.034
36 HB2 ALA 6 HB2 ALA 6 9.147 -3.480 -0.023
37 HB3 ALA 6 HB3 ALA 6 9.082 -2.174 -1.209
38 H CGU 7 HN GLA 7 9.572 0.305 -0.990
39 HA CGU 7 HA GLA 7 12.182 0.057 -2.103
40 HB2 CGU 7 HB1 GLA 7 11.786 2.461 -2.821
41 HB3 CGU 7 HB2 GLA 7 10.291 2.429 -1.888
42 HG CGU 7 HG GLA 7 9.777 0.250 -3.312
43 H LYS 8 HN LYS 8 10.951 2.320 0.380
44 HA LYS 8 HA LYS 8 13.483 3.531 0.968
45 HB2 LYS 8 HB2 LYS 8 10.971 3.225 2.633
46 HB3 LYS 8 HB1 LYS 8 12.350 4.220 3.105
47 HG2 LYS 8 HG2 LYS 8 12.060 5.701 1.281
48 HG3 LYS 8 HG1 LYS 8 11.015 4.570 0.421
49 HD2 LYS 8 HD2 LYS 8 9.380 4.815 2.377
50 HD3 LYS 8 HD1 LYS 8 10.364 6.183 2.898
51 HE2 LYS 8 HE2 LYS 8 8.441 6.897 1.485
52 HE3 LYS 8 HE1 LYS 8 9.995 7.308 0.755
53 HZ1 LYS 8 HZ1 LYS 8 8.067 6.025 -0.565
54 HZ2 LYS 8 HZ2 LYS 8 8.902 4.678 0.099
55 HZ3 LYS 8 HZ3 LYS 8 9.727 5.798 -0.890
56 H ALA 9 HN ALA 9 11.761 0.769 2.406
57 HA ALA 9 HA ALA 9 13.714 0.286 4.475
58 HB1 ALA 9 HB1 ALA 9 12.068 -1.930 3.292
59 HB2 ALA 9 HB2 ALA 9 11.252 -0.618 4.144
60 HB3 ALA 9 HB3 ALA 9 12.449 -1.603 4.984
61 H CGU 10 HN GLA 10 13.416 -0.835 1.114
62 HA CGU 10 HA GLA 10 15.621 -2.714 1.435
63 HB2 CGU 10 HB1 GLA 10 13.994 -1.782 -0.937
64 HB3 CGU 10 HB2 GLA 10 13.885 -3.329 -0.096
65 HG CGU 10 HG GLA 10 16.363 -2.349 -1.499
66 H PHE 11 HN PHE 11 15.171 0.542 0.024
67 HA PHE 11 HA PHE 11 17.714 0.776 -1.236
68 HB2 PHE 11 HB2 PHE 11 16.665 2.692 -1.766
69 HB3 PHE 11 HB1 PHE 11 15.579 2.549 -0.401
70 HD1 PHE 11 HD1 PHE 11 18.233 4.419 -1.816
71 HD2 PHE 11 HD2 PHE 11 16.634 3.135 1.953
72 HE1 PHE 11 HE1 PHE 11 19.337 6.335 -0.684
73 HE2 PHE 11 HE2 PHE 11 17.757 5.031 3.086
74 HZ PHE 11 HZ PHE 11 19.108 6.635 1.765
75 H ALA 12 HN ALA 12 16.714 1.278 2.112
76 HA ALA 12 HA ALA 12 19.242 2.145 3.122
77 HB1 ALA 12 HB1 ALA 12 18.381 1.435 5.308
78 HB2 ALA 12 HB2 ALA 12 17.122 0.477 4.525
79 HB3 ALA 12 HB3 ALA 12 17.096 2.237 4.405
80 H ARG 13 HN ARG 13 17.808 -1.089 2.695
81 HA ARG 13 HA ARG 13 19.996 -2.558 3.819
82 HB2 ARG 13 HB2 ARG 13 17.744 -3.193 1.939
83 HB3 ARG 13 HB1 ARG 13 19.043 -4.366 2.142
84 HG2 ARG 13 HG2 ARG 13 18.497 -4.804 4.341
85 HG3 ARG 13 HG1 ARG 13 17.884 -3.175 4.622
86 HD2 ARG 13 HD2 ARG 13 16.092 -4.951 4.589
87 HD3 ARG 13 HD1 ARG 13 15.845 -3.653 3.421
88 HE ARG 13 HE ARG 13 16.126 -5.233 1.679
89 HH11 ARG 13 HH11 ARG 13 18.783 -6.245 2.372
90 HH12 ARG 13 HH12 ARG 13 18.476 -7.894 2.784
91 HH21 ARG 13 HH21 ARG 13 15.095 -7.409 3.214
92 HH22 ARG 13 HH22 ARG 13 16.388 -8.554 3.266
93 H CGU 14 HN GLA 14 19.304 -1.611 0.429
94 HA CGU 14 HA GLA 14 21.770 -2.804 -0.534
95 HB2 CGU 14 HB1 GLA 14 21.198 -1.763 -2.660
96 HB3 CGU 14 HB2 GLA 14 19.984 -0.750 -1.898
97 HG CGU 14 HG GLA 14 19.001 -3.076 -1.076
98 H LEU 15 HN LEU 15 20.755 0.581 0.183
99 HA LEU 15 HA LEU 15 23.327 1.630 -0.598
100 HB2 LEU 15 HB2 LEU 15 20.862 2.711 0.750
101 HB3 LEU 15 HB1 LEU 15 22.342 3.670 0.769
102 HG LEU 15 HG LEU 15 22.412 3.151 -1.797
103 HD11 LEU 15 HD11 LEU 15 20.656 1.511 -1.905
104 HD12 LEU 15 HD12 LEU 15 20.087 2.961 -2.729
105 HD13 LEU 15 HD13 LEU 15 19.528 2.597 -1.099
106 HD21 LEU 15 HD21 LEU 15 20.345 4.984 -1.849
107 HD22 LEU 15 HD22 LEU 15 22.048 5.368 -1.615
108 HD23 LEU 15 HD23 LEU 15 20.996 5.158 -0.219
109 H ALA 16 HN ALA 16 21.932 0.611 2.522
110 HA ALA 16 HA ALA 16 24.228 1.574 4.042
111 HB1 ALA 16 HB1 ALA 16 21.953 1.060 5.034
112 HB2 ALA 16 HB2 ALA 16 23.304 0.324 5.894
113 HB3 ALA 16 HB3 ALA 16 22.313 -0.651 4.809
114 H ASN 17 HN ASN 17 23.454 -1.273 2.195
115 HA ASN 17 HA ASN 17 25.709 -2.838 3.266
116 HB2 ASN 17 HB2 ASN 17 23.624 -3.968 2.509
117 HB3 ASN 17 HB1 ASN 17 23.911 -3.384 0.873
118 HD21 ASN 17 HD21 ASN 17 26.989 -3.913 1.654
119 HD22 ASN 17 HD22 ASN 17 27.123 -5.582 1.323
120 H TYR 18 HN TYR 18 24.983 -0.894 0.373
121 HA TYR 18 HA TYR 18 27.416 -1.591 -1.026
122 HB2 TYR 18 HB2 TYR 18 25.576 0.810 -1.257
123 HB3 TYR 18 HB1 TYR 18 26.888 0.457 -2.370
124 HD1 TYR 18 HD1 TYR 18 24.388 0.702 -3.641
125 HD2 TYR 18 HD2 TYR 18 25.904 -2.713 -1.513
126 HE1 TYR 18 HE1 TYR 18 22.873 -0.780 -4.925
127 HE2 TYR 18 HE2 TYR 18 24.388 -4.183 -2.803
128 HH TYR 18 HH TYR 18 22.085 -3.812 -4.012
129 HN1 NH2 19 H1 NH2 19 26.544 1.271 1.017
130 HN2 NH2 19 H2 NH2 19 28.171 1.734 1.289
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 1.595 4.411 2.128
2 H2 GLY 1 HT2 GLY 1 2.791 4.713 0.951
3 H3 GLY 1 HT3 GLY 1 3.128 3.696 2.276
4 HA2 GLY 1 HA1 GLY 1 0.894 2.599 1.076
5 HA3 GLY 1 HA2 GLY 1 1.993 3.029 -0.235
6 H GLU 2 HN GLU 2 1.659 0.395 0.079
7 HA GLU 2 HA GLU 2 3.571 -0.766 1.966
8 HB2 GLU 2 HB2 GLU 2 3.017 -2.781 0.196
9 HB3 GLU 2 HB1 GLU 2 2.033 -2.409 1.608
10 HG2 GLU 2 HG2 GLU 2 0.614 -2.588 -0.389
11 HG3 GLU 2 HG1 GLU 2 0.602 -0.933 0.208
12 H CGU 3 HN GLA 3 3.475 -0.023 -1.498
13 HA CGU 3 HA GLA 3 5.964 -1.338 -2.145
14 HB2 CGU 3 HB1 GLA 3 4.639 1.066 -3.481
15 HB3 CGU 3 HB2 GLA 3 4.289 -0.617 -3.894
16 HG CGU 3 HG GLA 3 7.000 0.749 -4.099
17 H CGU 4 HN GLA 4 5.206 1.896 -0.916
18 HA CGU 4 HA GLA 4 7.679 3.169 -1.373
19 HB2 CGU 4 HB1 GLA 4 7.069 4.390 0.839
20 HB3 CGU 4 HB2 GLA 4 5.587 3.439 0.771
21 HG CGU 4 HG GLA 4 6.125 4.565 -1.833
22 H LEU 5 HN LEU 5 6.679 1.559 1.683
23 HA LEU 5 HA LEU 5 9.207 1.667 2.924
24 HB2 LEU 5 HB2 LEU 5 8.388 0.012 4.437
25 HB3 LEU 5 HB1 LEU 5 7.044 1.071 4.034
26 HG LEU 5 HG LEU 5 6.590 -0.711 2.162
27 HD11 LEU 5 HD11 LEU 5 7.463 -2.794 3.978
28 HD12 LEU 5 HD12 LEU 5 8.833 -1.836 3.423
29 HD13 LEU 5 HD13 LEU 5 7.776 -2.625 2.252
30 HD21 LEU 5 HD21 LEU 5 5.004 -0.302 3.927
31 HD22 LEU 5 HD22 LEU 5 6.041 -1.092 5.114
32 HD23 LEU 5 HD23 LEU 5 5.257 -2.046 3.855
33 H ALA 6 HN ALA 6 7.829 -0.922 0.935
34 HA ALA 6 HA ALA 6 9.928 -2.775 1.036
35 HB1 ALA 6 HB1 ALA 6 8.313 -3.656 -0.316
36 HB2 ALA 6 HB2 ALA 6 9.223 -2.888 -1.616
37 HB3 ALA 6 HB3 ALA 6 7.823 -2.074 -0.919
38 H CGU 7 HN GLA 7 9.630 0.109 -1.028
39 HA CGU 7 HA GLA 7 12.223 -0.258 -2.282
40 HB2 CGU 7 HB1 GLA 7 11.819 2.011 -3.161
41 HB3 CGU 7 HB2 GLA 7 10.437 2.193 -2.082
42 HG CGU 7 HG GLA 7 9.588 -0.030 -3.238
43 H LYS 8 HN LYS 8 10.954 2.123 0.077
44 HA LYS 8 HA LYS 8 13.429 3.386 0.658
45 HB2 LYS 8 HB2 LYS 8 10.886 3.047 2.251
46 HB3 LYS 8 HB1 LYS 8 12.247 4.001 2.845
47 HG2 LYS 8 HG2 LYS 8 12.098 5.546 1.049
48 HG3 LYS 8 HG1 LYS 8 11.071 4.469 0.101
49 HD2 LYS 8 HD2 LYS 8 9.237 4.757 1.691
50 HD3 LYS 8 HD1 LYS 8 10.258 5.752 2.729
51 HE2 LYS 8 HE2 LYS 8 10.516 7.379 0.846
52 HE3 LYS 8 HE1 LYS 8 9.385 6.412 -0.103
53 HZ1 LYS 8 HZ1 LYS 8 7.614 7.011 1.189
54 HZ2 LYS 8 HZ2 LYS 8 8.567 8.420 1.352
55 HZ3 LYS 8 HZ3 LYS 8 8.565 7.251 2.584
56 H ALA 9 HN ALA 9 11.878 0.574 2.238
57 HA ALA 9 HA ALA 9 13.955 0.317 4.249
58 HB1 ALA 9 HB1 ALA 9 11.672 -0.651 4.504
59 HB2 ALA 9 HB2 ALA 9 12.936 -1.862 4.717
60 HB3 ALA 9 HB3 ALA 9 12.032 -1.787 3.204
61 H CGU 10 HN GLA 10 13.378 -1.231 1.083
62 HA CGU 10 HA GLA 10 15.634 -2.980 1.273
63 HB2 CGU 10 HB1 GLA 10 13.968 -1.968 -1.044
64 HB3 CGU 10 HB2 GLA 10 13.936 -3.566 -0.299
65 HG CGU 10 HG GLA 10 16.416 -2.464 -1.552
66 H PHE 11 HN PHE 11 15.188 0.288 -0.115
67 HA PHE 11 HA PHE 11 17.865 0.526 -1.178
68 HB2 PHE 11 HB2 PHE 11 16.653 2.235 -2.060
69 HB3 PHE 11 HB1 PHE 11 15.538 2.263 -0.708
70 HD1 PHE 11 HD1 PHE 11 16.639 3.171 1.579
71 HD2 PHE 11 HD2 PHE 11 18.031 4.077 -2.378
72 HE1 PHE 11 HE1 PHE 11 17.672 5.253 2.429
73 HE2 PHE 11 HE2 PHE 11 19.061 6.169 -1.527
74 HZ PHE 11 HZ PHE 11 18.887 6.754 0.875
75 H ALA 12 HN ALA 12 16.405 1.089 1.969
76 HA ALA 12 HA ALA 12 18.593 2.438 3.201
77 HB1 ALA 12 HB1 ALA 12 17.604 1.476 5.338
78 HB2 ALA 12 HB2 ALA 12 16.445 0.620 4.322
79 HB3 ALA 12 HB3 ALA 12 16.472 2.382 4.333
80 H ARG 13 HN ARG 13 18.093 -0.941 2.391
81 HA ARG 13 HA ARG 13 20.292 -1.842 4.128
82 HB2 ARG 13 HB2 ARG 13 18.595 -3.203 2.022
83 HB3 ARG 13 HB1 ARG 13 19.920 -4.023 2.849
84 HG2 ARG 13 HG2 ARG 13 18.851 -3.931 4.934
85 HG3 ARG 13 HG1 ARG 13 17.811 -2.592 4.450
86 HD2 ARG 13 HD2 ARG 13 16.672 -4.870 4.608
87 HD3 ARG 13 HD1 ARG 13 16.458 -4.011 3.080
88 HE ARG 13 HE ARG 13 18.726 -5.609 2.708
89 HH11 ARG 13 HH11 ARG 13 17.664 -7.676 4.355
90 HH12 ARG 13 HH12 ARG 13 16.565 -8.529 3.329
91 HH21 ARG 13 HH21 ARG 13 16.352 -5.953 1.026
92 HH22 ARG 13 HH22 ARG 13 15.821 -7.555 1.442
93 H CGU 14 HN GLA 14 19.820 -2.065 0.579
94 HA CGU 14 HA GLA 14 22.479 -2.619 -0.080
95 HB2 CGU 14 HB1 GLA 14 21.823 -1.565 -2.331
96 HB3 CGU 14 HB2 GLA 14 20.252 -1.262 -1.595
97 HG CGU 14 HG GLA 14 21.426 -3.995 -1.315
98 H LEU 15 HN LEU 15 20.954 0.637 0.160
99 HA LEU 15 HA LEU 15 23.454 1.931 -0.548
100 HB2 LEU 15 HB2 LEU 15 20.770 2.890 0.466
101 HB3 LEU 15 HB1 LEU 15 22.136 4.001 0.353
102 HG LEU 15 HG LEU 15 22.368 3.011 -2.086
103 HD11 LEU 15 HD11 LEU 15 19.526 2.350 -1.301
104 HD12 LEU 15 HD12 LEU 15 20.739 1.268 -1.983
105 HD13 LEU 15 HD13 LEU 15 20.033 2.541 -2.978
106 HD21 LEU 15 HD21 LEU 15 21.837 5.180 -2.360
107 HD22 LEU 15 HD22 LEU 15 20.825 5.183 -0.917
108 HD23 LEU 15 HD23 LEU 15 20.157 4.660 -2.464
109 H ALA 16 HN ALA 16 22.024 0.836 2.467
110 HA ALA 16 HA ALA 16 23.865 2.435 4.104
111 HB1 ALA 16 HB1 ALA 16 23.043 1.020 5.977
112 HB2 ALA 16 HB2 ALA 16 22.136 0.046 4.821
113 HB3 ALA 16 HB3 ALA 16 21.718 1.743 5.065
114 H ASN 17 HN ASN 17 23.644 -0.943 2.969
115 HA ASN 17 HA ASN 17 26.180 -1.651 4.263
116 HB2 ASN 17 HB2 ASN 17 25.733 -3.817 3.601
117 HB3 ASN 17 HB1 ASN 17 24.099 -3.167 3.512
118 HD21 ASN 17 HD21 ASN 17 27.015 -3.386 1.384
119 HD22 ASN 17 HD22 ASN 17 26.122 -3.744 -0.026
120 H TYR 18 HN TYR 18 25.278 -0.039 1.416
121 HA TYR 18 HA TYR 18 27.453 -0.857 -0.303
122 HB2 TYR 18 HB2 TYR 18 25.476 0.178 -1.263
123 HB3 TYR 18 HB1 TYR 18 25.720 1.634 -0.295
124 HD1 TYR 18 HD1 TYR 18 27.615 -0.550 -2.695
125 HD2 TYR 18 HD2 TYR 18 26.802 3.436 -1.319
126 HE1 TYR 18 HE1 TYR 18 29.093 0.362 -4.466
127 HE2 TYR 18 HE2 TYR 18 28.280 4.345 -3.093
128 HH TYR 18 HH TYR 18 29.118 2.880 -5.705
129 HN1 NH2 19 H1 NH2 19 27.044 2.015 1.862
130 HN2 NH2 19 H2 NH2 19 28.710 2.403 1.888
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 1.541 3.200 -0.249
2 H2 GLY 1 HT2 GLY 1 3.132 3.192 -0.865
3 H3 GLY 1 HT3 GLY 1 2.463 4.628 -0.237
4 HA2 GLY 1 HA1 GLY 1 3.741 3.993 1.529
5 HA3 GLY 1 HA2 GLY 1 2.207 3.224 1.930
6 H GLU 2 HN GLU 2 1.994 0.940 0.795
7 HA GLU 2 HA GLU 2 3.841 -0.826 1.939
8 HB2 GLU 2 HB2 GLU 2 1.579 -1.426 1.048
9 HB3 GLU 2 HB1 GLU 2 2.247 -1.356 -0.583
10 HG2 GLU 2 HG2 GLU 2 3.910 -3.094 0.038
11 HG3 GLU 2 HG1 GLU 2 3.192 -3.189 1.646
12 H CGU 3 HN GLA 3 3.746 0.006 -1.569
13 HA CGU 3 HA GLA 3 6.251 -1.335 -2.092
14 HB2 CGU 3 HB1 GLA 3 4.861 0.897 -3.654
15 HB3 CGU 3 HB2 GLA 3 4.615 -0.831 -3.941
16 HG CGU 3 HG GLA 3 7.238 0.682 -4.211
17 H CGU 4 HN GLA 4 5.368 1.983 -1.305
18 HA CGU 4 HA GLA 4 7.877 3.241 -1.706
19 HB2 CGU 4 HB1 GLA 4 6.988 4.855 0.064
20 HB3 CGU 4 HB2 GLA 4 5.605 3.771 0.217
21 HG CGU 4 HG GLA 4 6.464 5.151 -2.381
22 H LEU 5 HN LEU 5 6.490 2.006 1.378
23 HA LEU 5 HA LEU 5 8.883 2.354 2.878
24 HB2 LEU 5 HB2 LEU 5 7.866 0.963 4.533
25 HB3 LEU 5 HB1 LEU 5 6.598 1.953 3.829
26 HG LEU 5 HG LEU 5 6.278 -0.092 2.231
27 HD11 LEU 5 HD11 LEU 5 8.387 -1.018 3.840
28 HD12 LEU 5 HD12 LEU 5 7.429 -1.968 2.705
29 HD13 LEU 5 HD13 LEU 5 6.960 -1.884 4.400
30 HD21 LEU 5 HD21 LEU 5 4.528 0.531 3.723
31 HD22 LEU 5 HD22 LEU 5 5.467 0.054 5.137
32 HD23 LEU 5 HD23 LEU 5 4.828 -1.176 4.047
33 H ALA 6 HN ALA 6 7.658 -0.480 1.136
34 HA ALA 6 HA ALA 6 9.753 -2.287 1.725
35 HB1 ALA 6 HB1 ALA 6 8.080 -3.321 0.499
36 HB2 ALA 6 HB2 ALA 6 9.235 -3.022 -0.797
37 HB3 ALA 6 HB3 ALA 6 7.864 -1.938 -0.571
38 H CGU 7 HN GLA 7 9.522 0.029 -1.009
39 HA CGU 7 HA GLA 7 12.126 -0.449 -2.063
40 HB2 CGU 7 HB1 GLA 7 11.900 1.902 -2.957
41 HB3 CGU 7 HB2 GLA 7 10.414 2.068 -2.026
42 HG CGU 7 HG GLA 7 9.693 -0.147 -3.277
43 H LYS 8 HN LYS 8 10.971 2.016 0.253
44 HA LYS 8 HA LYS 8 13.452 3.230 0.867
45 HB2 LYS 8 HB2 LYS 8 11.137 3.946 1.629
46 HB3 LYS 8 HB1 LYS 8 11.244 2.693 2.863
47 HG2 LYS 8 HG2 LYS 8 12.072 4.514 4.047
48 HG3 LYS 8 HG1 LYS 8 13.571 3.852 3.393
49 HD2 LYS 8 HD2 LYS 8 12.258 5.705 1.532
50 HD3 LYS 8 HD1 LYS 8 12.658 6.468 3.066
51 HE2 LYS 8 HE2 LYS 8 14.737 6.729 2.194
52 HE3 LYS 8 HE1 LYS 8 14.946 5.009 2.525
53 HZ1 LYS 8 HZ1 LYS 8 14.869 6.297 0.031
54 HZ2 LYS 8 HZ2 LYS 8 13.524 5.267 0.126
55 HZ3 LYS 8 HZ3 LYS 8 15.092 4.645 0.350
56 H ALA 9 HN ALA 9 11.831 0.478 2.436
57 HA ALA 9 HA ALA 9 13.836 -0.092 4.368
58 HB1 ALA 9 HB1 ALA 9 11.423 -1.082 3.989
59 HB2 ALA 9 HB2 ALA 9 12.662 -2.071 4.758
60 HB3 ALA 9 HB3 ALA 9 12.284 -2.301 3.051
61 H CGU 10 HN GLA 10 13.421 -1.496 1.079
62 HA CGU 10 HA GLA 10 15.793 -3.091 1.288
63 HB2 CGU 10 HB1 GLA 10 14.074 -2.195 -1.033
64 HB3 CGU 10 HB2 GLA 10 14.161 -3.794 -0.294
65 HG CGU 10 HG GLA 10 16.432 -2.442 -1.747
66 H PHE 11 HN PHE 11 15.156 0.165 -0.020
67 HA PHE 11 HA PHE 11 17.786 0.557 -1.131
68 HB2 PHE 11 HB2 PHE 11 16.543 2.259 -1.923
69 HB3 PHE 11 HB1 PHE 11 15.414 2.163 -0.592
70 HD1 PHE 11 HD1 PHE 11 16.478 3.026 1.763
71 HD2 PHE 11 HD2 PHE 11 17.788 4.194 -2.155
72 HE1 PHE 11 HE1 PHE 11 17.369 5.136 2.700
73 HE2 PHE 11 HE2 PHE 11 18.672 6.315 -1.214
74 HZ PHE 11 HZ PHE 11 18.468 6.782 1.209
75 H ALA 12 HN ALA 12 16.382 1.080 2.071
76 HA ALA 12 HA ALA 12 18.663 2.311 3.273
77 HB1 ALA 12 HB1 ALA 12 16.206 1.782 4.193
78 HB2 ALA 12 HB2 ALA 12 17.568 1.973 5.293
79 HB3 ALA 12 HB3 ALA 12 17.018 0.361 4.844
80 H ARG 13 HN ARG 13 17.972 -0.926 2.252
81 HA ARG 13 HA ARG 13 20.162 -2.123 3.808
82 HB2 ARG 13 HB2 ARG 13 17.883 -3.178 2.853
83 HB3 ARG 13 HB1 ARG 13 18.919 -3.523 1.471
84 HG2 ARG 13 HG2 ARG 13 19.919 -4.190 4.223
85 HG3 ARG 13 HG1 ARG 13 18.722 -5.246 3.478
86 HD2 ARG 13 HD2 ARG 13 20.739 -6.204 2.764
87 HD3 ARG 13 HD1 ARG 13 20.306 -5.179 1.398
88 HE ARG 13 HE ARG 13 22.415 -4.174 1.792
89 HH11 ARG 13 HH11 ARG 13 22.245 -5.942 4.493
90 HH12 ARG 13 HH12 ARG 13 22.781 -4.724 5.596
91 HH21 ARG 13 HH21 ARG 13 22.449 -2.175 3.276
92 HH22 ARG 13 HH22 ARG 13 22.907 -2.577 4.907
93 H CGU 14 HN GLA 14 19.482 -1.921 0.287
94 HA CGU 14 HA GLA 14 22.083 -2.535 -0.598
95 HB2 CGU 14 HB1 GLA 14 21.446 -1.570 -2.721
96 HB3 CGU 14 HB2 GLA 14 20.161 -0.629 -1.980
97 HG CGU 14 HG GLA 14 19.340 -3.049 -1.172
98 H LEU 15 HN LEU 15 20.717 0.663 0.268
99 HA LEU 15 HA LEU 15 23.198 1.997 -0.470
100 HB2 LEU 15 HB2 LEU 15 20.571 2.848 0.739
101 HB3 LEU 15 HB1 LEU 15 21.945 3.950 0.767
102 HG LEU 15 HG LEU 15 22.134 3.314 -1.785
103 HD11 LEU 15 HD11 LEU 15 20.509 1.609 -1.972
104 HD12 LEU 15 HD12 LEU 15 19.749 3.032 -2.681
105 HD13 LEU 15 HD13 LEU 15 19.324 2.527 -1.047
106 HD21 LEU 15 HD21 LEU 15 21.691 5.535 -1.567
107 HD22 LEU 15 HD22 LEU 15 20.463 5.266 -0.334
108 HD23 LEU 15 HD23 LEU 15 20.063 5.054 -2.039
109 H ALA 16 HN ALA 16 21.972 0.450 2.390
110 HA ALA 16 HA ALA 16 23.796 1.853 4.207
111 HB1 ALA 16 HB1 ALA 16 23.225 -0.152 5.730
112 HB2 ALA 16 HB2 ALA 16 22.085 -0.625 4.472
113 HB3 ALA 16 HB3 ALA 16 21.899 0.923 5.292
114 H ASN 17 HN ASN 17 23.815 -1.109 2.274
115 HA ASN 17 HA ASN 17 26.506 -1.812 3.320
116 HB2 ASN 17 HB2 ASN 17 26.289 -3.856 1.964
117 HB3 ASN 17 HB1 ASN 17 24.877 -3.650 2.997
118 HD21 ASN 17 HD21 ASN 17 25.918 -2.618 -0.309
119 HD22 ASN 17 HD22 ASN 17 24.403 -2.927 -1.027
120 H TYR 18 HN TYR 18 25.386 0.331 1.159
121 HA TYR 18 HA TYR 18 27.030 -0.226 -1.164
122 HB2 TYR 18 HB2 TYR 18 24.963 1.214 -1.157
123 HB3 TYR 18 HB1 TYR 18 25.878 2.439 -0.282
124 HD1 TYR 18 HD1 TYR 18 27.691 3.690 -1.373
125 HD2 TYR 18 HD2 TYR 18 25.472 0.674 -3.497
126 HE1 TYR 18 HE1 TYR 18 28.622 4.509 -3.522
127 HE2 TYR 18 HE2 TYR 18 26.408 1.501 -5.640
128 HH TYR 18 HH TYR 18 28.909 3.031 -6.078
129 HN1 NH2 19 H1 NH2 19 27.439 2.101 1.588
130 HN2 NH2 19 H2 NH2 19 29.113 2.323 1.326
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 1.210 4.330 -0.435
2 H2 GLY 1 HT2 GLY 1 1.511 2.653 -0.559
3 H3 GLY 1 HT3 GLY 1 2.608 3.781 -1.223
4 HA2 GLY 1 HA1 GLY 1 3.380 4.485 0.859
5 HA3 GLY 1 HA2 GLY 1 2.002 3.749 1.676
6 H GLU 2 HN GLU 2 1.828 1.273 1.072
7 HA GLU 2 HA GLU 2 3.833 -0.195 2.296
8 HB2 GLU 2 HB2 GLU 2 2.939 -1.886 0.228
9 HB3 GLU 2 HB1 GLU 2 2.277 -1.770 1.856
10 HG2 GLU 2 HG2 GLU 2 0.573 -1.468 0.011
11 HG3 GLU 2 HG1 GLU 2 0.640 -0.135 1.156
12 H CGU 3 HN GLA 3 3.527 0.118 -1.272
13 HA CGU 3 HA GLA 3 5.981 -1.147 -1.911
14 HB2 CGU 3 HB1 GLA 3 4.605 1.157 -3.373
15 HB3 CGU 3 HB2 GLA 3 4.270 -0.555 -3.656
16 HG CGU 3 HG GLA 3 6.935 0.854 -4.076
17 H CGU 4 HN GLA 4 5.363 2.267 -1.077
18 HA CGU 4 HA GLA 4 8.005 3.203 -1.617
19 HB2 CGU 4 HB1 GLA 4 7.163 4.677 0.592
20 HB3 CGU 4 HB2 GLA 4 5.652 4.188 -0.175
21 HG CGU 4 HG GLA 4 6.265 5.209 -2.249
22 H LEU 5 HN LEU 5 6.534 2.110 1.462
23 HA LEU 5 HA LEU 5 8.883 2.189 3.038
24 HB2 LEU 5 HB2 LEU 5 6.356 0.560 3.111
25 HB3 LEU 5 HB1 LEU 5 7.685 0.126 4.185
26 HG LEU 5 HG LEU 5 7.697 2.704 4.740
27 HD11 LEU 5 HD11 LEU 5 5.018 2.229 3.457
28 HD12 LEU 5 HD12 LEU 5 6.108 3.603 3.272
29 HD13 LEU 5 HD13 LEU 5 5.180 3.407 4.758
30 HD21 LEU 5 HD21 LEU 5 5.467 0.920 5.761
31 HD22 LEU 5 HD22 LEU 5 6.212 2.270 6.615
32 HD23 LEU 5 HD23 LEU 5 7.145 0.809 6.291
33 H ALA 6 HN ALA 6 7.547 -0.480 1.079
34 HA ALA 6 HA ALA 6 9.579 -2.396 1.540
35 HB1 ALA 6 HB1 ALA 6 8.846 -3.438 -0.522
36 HB2 ALA 6 HB2 ALA 6 8.148 -1.922 -1.093
37 HB3 ALA 6 HB3 ALA 6 7.425 -2.766 0.276
38 H CGU 7 HN GLA 7 9.388 0.060 -1.067
39 HA CGU 7 HA GLA 7 11.911 -0.515 -2.251
40 HB2 CGU 7 HB1 GLA 7 11.775 1.866 -3.058
41 HB3 CGU 7 HB2 GLA 7 10.354 2.086 -2.038
42 HG CGU 7 HG GLA 7 9.426 -0.033 -3.301
43 H LYS 8 HN LYS 8 11.042 1.946 0.193
44 HA LYS 8 HA LYS 8 13.667 2.908 0.689
45 HB2 LYS 8 HB2 LYS 8 11.304 2.669 2.567
46 HB3 LYS 8 HB1 LYS 8 12.755 3.618 2.891
47 HG2 LYS 8 HG2 LYS 8 12.190 4.647 0.494
48 HG3 LYS 8 HG1 LYS 8 10.559 4.130 0.919
49 HD2 LYS 8 HD2 LYS 8 10.768 5.374 3.078
50 HD3 LYS 8 HD1 LYS 8 12.344 5.962 2.549
51 HE2 LYS 8 HE2 LYS 8 10.612 7.642 2.078
52 HE3 LYS 8 HE1 LYS 8 11.279 7.007 0.570
53 HZ1 LYS 8 HZ1 LYS 8 8.916 5.737 1.780
54 HZ2 LYS 8 HZ2 LYS 8 9.402 5.758 0.144
55 HZ3 LYS 8 HZ3 LYS 8 8.720 7.152 0.857
56 H ALA 9 HN ALA 9 11.832 0.265 2.205
57 HA ALA 9 HA ALA 9 13.741 -0.490 4.155
58 HB1 ALA 9 HB1 ALA 9 11.296 -1.359 3.615
59 HB2 ALA 9 HB2 ALA 9 12.451 -2.391 4.454
60 HB3 ALA 9 HB3 ALA 9 12.171 -2.604 2.725
61 H CGU 10 HN GLA 10 13.492 -1.590 0.728
62 HA CGU 10 HA GLA 10 15.828 -3.290 1.083
63 HB2 CGU 10 HB1 GLA 10 14.160 -2.523 -1.320
64 HB3 CGU 10 HB2 GLA 10 14.340 -4.109 -0.565
65 HG CGU 10 HG GLA 10 16.676 -2.642 -1.758
66 H PHE 11 HN PHE 11 15.197 -0.132 -0.495
67 HA PHE 11 HA PHE 11 17.860 0.260 -1.483
68 HB2 PHE 11 HB2 PHE 11 16.517 1.868 -2.365
69 HB3 PHE 11 HB1 PHE 11 15.471 1.908 -0.966
70 HD1 PHE 11 HD1 PHE 11 16.753 2.939 1.256
71 HD2 PHE 11 HD2 PHE 11 17.723 3.771 -2.849
72 HE1 PHE 11 HE1 PHE 11 17.713 5.115 1.925
73 HE2 PHE 11 HE2 PHE 11 18.678 5.954 -2.172
74 HZ PHE 11 HZ PHE 11 18.678 6.624 0.214
75 H ALA 12 HN ALA 12 16.379 0.863 1.678
76 HA ALA 12 HA ALA 12 18.547 2.222 2.888
77 HB1 ALA 12 HB1 ALA 12 17.686 1.240 5.030
78 HB2 ALA 12 HB2 ALA 12 16.616 0.206 4.082
79 HB3 ALA 12 HB3 ALA 12 16.411 1.956 4.043
80 H ARG 13 HN ARG 13 17.980 -1.283 2.437
81 HA ARG 13 HA ARG 13 20.284 -2.164 3.897
82 HB2 ARG 13 HB2 ARG 13 18.650 -3.354 1.665
83 HB3 ARG 13 HB1 ARG 13 20.099 -4.174 2.248
84 HG2 ARG 13 HG2 ARG 13 19.174 -4.125 4.553
85 HG3 ARG 13 HG1 ARG 13 17.706 -3.367 3.930
86 HD2 ARG 13 HD2 ARG 13 18.743 -5.999 2.861
87 HD3 ARG 13 HD1 ARG 13 17.621 -5.910 4.221
88 HE ARG 13 HE ARG 13 16.999 -5.111 1.408
89 HH11 ARG 13 HH11 ARG 13 15.409 -7.222 2.502
90 HH12 ARG 13 HH12 ARG 13 14.024 -6.420 3.156
91 HH21 ARG 13 HH21 ARG 13 15.532 -3.311 3.204
92 HH22 ARG 13 HH22 ARG 13 14.098 -4.220 3.563
93 H CGU 14 HN GLA 14 19.968 -2.037 0.318
94 HA CGU 14 HA GLA 14 22.739 -2.315 -0.187
95 HB2 CGU 14 HB1 GLA 14 22.150 -1.270 -2.422
96 HB3 CGU 14 HB2 GLA 14 20.523 -1.024 -1.804
97 HG CGU 14 HG GLA 14 21.749 -3.742 -1.533
98 H LEU 15 HN LEU 15 20.773 0.602 0.356
99 HA LEU 15 HA LEU 15 22.915 2.450 -0.202
100 HB2 LEU 15 HB2 LEU 15 20.345 2.665 1.370
101 HB3 LEU 15 HB1 LEU 15 21.438 4.026 1.144
102 HG LEU 15 HG LEU 15 19.419 3.437 -0.531
103 HD11 LEU 15 HD11 LEU 15 22.074 4.651 -1.243
104 HD12 LEU 15 HD12 LEU 15 20.675 5.487 -0.571
105 HD13 LEU 15 HD13 LEU 15 20.607 4.826 -2.204
106 HD21 LEU 15 HD21 LEU 15 20.359 2.514 -2.627
107 HD22 LEU 15 HD22 LEU 15 20.346 1.322 -1.334
108 HD23 LEU 15 HD23 LEU 15 21.848 2.131 -1.771
109 H ALA 16 HN ALA 16 21.632 1.041 2.832
110 HA ALA 16 HA ALA 16 23.619 2.283 4.523
111 HB1 ALA 16 HB1 ALA 16 22.102 -0.318 4.945
112 HB2 ALA 16 HB2 ALA 16 21.506 1.279 5.395
113 HB3 ALA 16 HB3 ALA 16 22.930 0.611 6.193
114 H ASN 17 HN ASN 17 23.450 -0.745 2.694
115 HA ASN 17 HA ASN 17 25.970 -1.790 3.698
116 HB2 ASN 17 HB2 ASN 17 24.367 -3.336 2.741
117 HB3 ASN 17 HB1 ASN 17 24.315 -2.438 1.231
118 HD21 ASN 17 HD21 ASN 17 27.540 -2.405 2.179
119 HD22 ASN 17 HD22 ASN 17 28.060 -3.795 1.339
120 H TYR 18 HN TYR 18 24.997 0.183 0.891
121 HA TYR 18 HA TYR 18 27.689 0.279 -0.223
122 HB2 TYR 18 HB2 TYR 18 25.212 1.961 -0.697
123 HB3 TYR 18 HB1 TYR 18 26.709 2.159 -1.592
124 HD1 TYR 18 HD1 TYR 18 27.079 -1.117 -1.272
125 HD2 TYR 18 HD2 TYR 18 24.167 1.556 -2.966
126 HE1 TYR 18 HE1 TYR 18 26.361 -2.888 -2.846
127 HE2 TYR 18 HE2 TYR 18 23.455 -0.225 -4.536
128 HH TYR 18 HH TYR 18 23.510 -2.797 -4.532
129 HN1 NH2 19 H1 NH2 19 25.681 2.686 1.622
130 HN2 NH2 19 H2 NH2 19 27.038 3.599 2.137
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 1.112 4.677 1.109
2 H2 GLY 1 HT2 GLY 1 2.327 4.719 -0.086
3 H3 GLY 1 HT3 GLY 1 2.694 4.193 1.493
4 HA2 GLY 1 HA1 GLY 1 0.659 2.535 0.754
5 HA3 GLY 1 HA2 GLY 1 1.630 2.705 -0.710
6 H GLU 2 HN GLU 2 1.811 0.257 0.165
7 HA GLU 2 HA GLU 2 3.836 -0.099 2.255
8 HB2 GLU 2 HB2 GLU 2 3.696 -2.524 1.004
9 HB3 GLU 2 HB1 GLU 2 2.607 -2.019 2.291
10 HG2 GLU 2 HG2 GLU 2 1.354 -2.910 0.352
11 HG3 GLU 2 HG1 GLU 2 0.984 -1.209 0.616
12 H CGU 3 HN GLA 3 3.704 -0.367 -1.292
13 HA CGU 3 HA GLA 3 6.345 -1.293 -1.754
14 HB2 CGU 3 HB1 GLA 3 4.637 0.658 -3.374
15 HB3 CGU 3 HB2 GLA 3 4.656 -1.095 -3.593
16 HG CGU 3 HG GLA 3 7.037 0.760 -3.981
17 H CGU 4 HN GLA 4 5.129 1.905 -0.964
18 HA CGU 4 HA GLA 4 7.477 3.417 -1.540
19 HB2 CGU 4 HB1 GLA 4 6.473 4.813 0.501
20 HB3 CGU 4 HB2 GLA 4 5.093 3.743 0.243
21 HG CGU 4 HG GLA 4 5.226 4.386 -2.228
22 H LEU 5 HN LEU 5 6.488 1.554 1.321
23 HA LEU 5 HA LEU 5 8.896 2.283 2.815
24 HB2 LEU 5 HB2 LEU 5 6.637 0.318 3.262
25 HB3 LEU 5 HB1 LEU 5 8.048 0.370 4.318
26 HG LEU 5 HG LEU 5 7.520 2.964 4.378
27 HD11 LEU 5 HD11 LEU 5 5.713 3.227 2.930
28 HD12 LEU 5 HD12 LEU 5 4.894 3.060 4.483
29 HD13 LEU 5 HD13 LEU 5 4.992 1.683 3.386
30 HD21 LEU 5 HD21 LEU 5 6.565 0.657 5.938
31 HD22 LEU 5 HD22 LEU 5 5.600 2.117 6.164
32 HD23 LEU 5 HD23 LEU 5 7.333 2.146 6.487
33 H ALA 6 HN ALA 6 7.657 -0.598 1.117
34 HA ALA 6 HA ALA 6 9.771 -2.387 1.578
35 HB1 ALA 6 HB1 ALA 6 7.638 -2.819 0.257
36 HB2 ALA 6 HB2 ALA 6 9.100 -3.512 -0.442
37 HB3 ALA 6 HB3 ALA 6 8.419 -2.029 -1.113
38 H CGU 7 HN GLA 7 9.526 0.053 -1.029
39 HA CGU 7 HA GLA 7 12.058 -0.411 -2.216
40 HB2 CGU 7 HB1 GLA 7 11.874 2.022 -2.902
41 HB3 CGU 7 HB2 GLA 7 10.424 2.135 -1.903
42 HG CGU 7 HG GLA 7 9.609 0.045 -3.293
43 H LYS 8 HN LYS 8 11.133 1.926 0.326
44 HA LYS 8 HA LYS 8 13.756 2.893 0.882
45 HB2 LYS 8 HB2 LYS 8 11.295 2.646 2.630
46 HB3 LYS 8 HB1 LYS 8 12.765 3.481 3.135
47 HG2 LYS 8 HG2 LYS 8 12.528 5.163 1.515
48 HG3 LYS 8 HG1 LYS 8 11.459 4.179 0.514
49 HD2 LYS 8 HD2 LYS 8 9.796 4.289 2.483
50 HD3 LYS 8 HD1 LYS 8 10.815 5.582 3.114
51 HE2 LYS 8 HE2 LYS 8 8.927 6.455 1.742
52 HE3 LYS 8 HE1 LYS 8 10.501 6.878 1.063
53 HZ1 LYS 8 HZ1 LYS 8 9.258 4.358 0.204
54 HZ2 LYS 8 HZ2 LYS 8 10.256 5.433 -0.666
55 HZ3 LYS 8 HZ3 LYS 8 8.607 5.815 -0.420
56 H ALA 9 HN ALA 9 11.889 0.213 2.315
57 HA ALA 9 HA ALA 9 13.796 -0.592 4.257
58 HB1 ALA 9 HB1 ALA 9 11.378 -1.632 3.141
59 HB2 ALA 9 HB2 ALA 9 12.174 -2.104 4.641
60 HB3 ALA 9 HB3 ALA 9 12.576 -2.926 3.134
61 H CGU 10 HN GLA 10 13.514 -1.581 0.815
62 HA CGU 10 HA GLA 10 15.856 -3.283 1.016
63 HB2 CGU 10 HB1 GLA 10 14.154 -2.323 -1.296
64 HB3 CGU 10 HB2 GLA 10 14.311 -3.956 -0.648
65 HG CGU 10 HG GLA 10 16.722 -2.547 -1.694
66 H PHE 11 HN PHE 11 15.250 -0.019 -0.399
67 HA PHE 11 HA PHE 11 17.910 0.377 -1.369
68 HB2 PHE 11 HB2 PHE 11 16.773 2.133 -2.180
69 HB3 PHE 11 HB1 PHE 11 15.522 1.974 -0.964
70 HD1 PHE 11 HD1 PHE 11 18.024 4.084 -2.210
71 HD2 PHE 11 HD2 PHE 11 16.331 2.740 1.495
72 HE1 PHE 11 HE1 PHE 11 18.785 6.170 -1.095
73 HE2 PHE 11 HE2 PHE 11 17.109 4.807 2.615
74 HZ PHE 11 HZ PHE 11 18.336 6.526 1.315
75 H ALA 12 HN ALA 12 16.488 0.758 1.825
76 HA ALA 12 HA ALA 12 18.668 2.120 3.059
77 HB1 ALA 12 HB1 ALA 12 17.824 1.003 5.165
78 HB2 ALA 12 HB2 ALA 12 16.696 0.091 4.160
79 HB3 ALA 12 HB3 ALA 12 16.573 1.848 4.252
80 H ARG 13 HN ARG 13 18.050 -1.363 2.540
81 HA ARG 13 HA ARG 13 20.368 -2.322 3.907
82 HB2 ARG 13 HB2 ARG 13 18.986 -3.508 1.482
83 HB3 ARG 13 HB1 ARG 13 20.070 -4.370 2.573
84 HG2 ARG 13 HG2 ARG 13 18.527 -4.070 4.425
85 HG3 ARG 13 HG1 ARG 13 17.490 -3.037 3.443
86 HD2 ARG 13 HD2 ARG 13 16.446 -5.173 3.383
87 HD3 ARG 13 HD1 ARG 13 17.285 -5.030 1.836
88 HE ARG 13 HE ARG 13 18.574 -6.891 2.494
89 HH11 ARG 13 HH11 ARG 13 16.718 -7.758 4.552
90 HH12 ARG 13 HH12 ARG 13 17.665 -7.720 5.996
91 HH21 ARG 13 HH21 ARG 13 20.109 -5.713 4.621
92 HH22 ARG 13 HH22 ARG 13 19.592 -6.565 6.036
93 H CGU 14 HN GLA 14 19.975 -2.055 0.347
94 HA CGU 14 HA GLA 14 22.708 -2.432 -0.244
95 HB2 CGU 14 HB1 GLA 14 22.094 -1.279 -2.436
96 HB3 CGU 14 HB2 GLA 14 20.484 -1.055 -1.764
97 HG CGU 14 HG GLA 14 21.663 -3.787 -1.578
98 H LEU 15 HN LEU 15 20.943 0.683 0.219
99 HA LEU 15 HA LEU 15 23.375 2.181 -0.284
100 HB2 LEU 15 HB2 LEU 15 20.598 2.881 0.663
101 HB3 LEU 15 HB1 LEU 15 21.887 4.085 0.722
102 HG LEU 15 HG LEU 15 22.327 3.328 -1.765
103 HD11 LEU 15 HD11 LEU 15 20.829 1.453 -1.860
104 HD12 LEU 15 HD12 LEU 15 20.139 2.727 -2.864
105 HD13 LEU 15 HD13 LEU 15 19.490 2.426 -1.255
106 HD21 LEU 15 HD21 LEU 15 20.010 4.832 -2.147
107 HD22 LEU 15 HD22 LEU 15 21.639 5.462 -1.918
108 HD23 LEU 15 HD23 LEU 15 20.566 5.282 -0.533
109 H ALA 16 HN ALA 16 21.675 1.180 2.720
110 HA ALA 16 HA ALA 16 23.463 2.629 4.459
111 HB1 ALA 16 HB1 ALA 16 22.656 1.168 6.238
112 HB2 ALA 16 HB2 ALA 16 22.029 0.017 5.056
113 HB3 ALA 16 HB3 ALA 16 21.293 1.614 5.210
114 H ASN 17 HN ASN 17 23.676 -0.437 2.770
115 HA ASN 17 HA ASN 17 26.201 -1.140 4.167
116 HB2 ASN 17 HB2 ASN 17 24.445 -2.886 3.536
117 HB3 ASN 17 HB1 ASN 17 24.916 -2.622 1.857
118 HD21 ASN 17 HD21 ASN 17 27.817 -2.167 2.656
119 HD22 ASN 17 HD22 ASN 17 28.403 -3.729 3.028
120 H TYR 18 HN TYR 18 25.070 0.173 1.105
121 HA TYR 18 HA TYR 18 27.505 -0.167 -0.384
122 HB2 TYR 18 HB2 TYR 18 25.445 0.447 -1.529
123 HB3 TYR 18 HB1 TYR 18 25.321 1.931 -0.580
124 HD1 TYR 18 HD1 TYR 18 27.752 0.150 -2.828
125 HD2 TYR 18 HD2 TYR 18 26.162 3.905 -1.486
126 HE1 TYR 18 HE1 TYR 18 29.159 1.341 -4.492
127 HE2 TYR 18 HE2 TYR 18 27.565 5.091 -3.151
128 HH TYR 18 HH TYR 18 30.055 4.183 -4.422
129 HN1 NH2 19 H1 NH2 19 26.332 2.575 1.641
130 HN2 NH2 19 H2 NH2 19 27.869 3.313 1.794
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 3.444 5.308 -0.153
2 H2 GLY 1 HT2 GLY 1 2.065 4.394 -0.556
3 H3 GLY 1 HT3 GLY 1 3.619 3.720 -0.742
4 HA2 GLY 1 HA1 GLY 1 3.410 4.550 1.912
5 HA3 GLY 1 HA2 GLY 1 1.930 3.675 1.523
6 H GLU 2 HN GLU 2 2.041 1.447 1.213
7 HA GLU 2 HA GLU 2 4.042 -0.065 2.446
8 HB2 GLU 2 HB2 GLU 2 1.768 -0.877 1.796
9 HB3 GLU 2 HB1 GLU 2 2.320 -0.980 0.125
10 HG2 GLU 2 HG2 GLU 2 4.106 -2.560 0.830
11 HG3 GLU 2 HG1 GLU 2 3.495 -2.488 2.483
12 H CGU 3 HN GLA 3 3.677 0.236 -1.124
13 HA CGU 3 HA GLA 3 6.071 -1.123 -1.785
14 HB2 CGU 3 HB1 GLA 3 4.758 1.213 -3.254
15 HB3 CGU 3 HB2 GLA 3 4.364 -0.489 -3.522
16 HG CGU 3 HG GLA 3 7.056 0.846 -3.987
17 H CGU 4 HN GLA 4 5.555 2.368 -1.304
18 HA CGU 4 HA GLA 4 8.159 3.303 -1.747
19 HB2 CGU 4 HB1 GLA 4 7.513 5.056 0.017
20 HB3 CGU 4 HB2 GLA 4 6.015 4.143 0.213
21 HG CGU 4 HG GLA 4 6.996 5.388 -2.412
22 H LEU 5 HN LEU 5 6.731 2.105 1.303
23 HA LEU 5 HA LEU 5 9.162 2.267 2.823
24 HB2 LEU 5 HB2 LEU 5 6.531 0.874 3.114
25 HB3 LEU 5 HB1 LEU 5 7.878 0.291 4.094
26 HG LEU 5 HG LEU 5 8.024 3.094 4.276
27 HD11 LEU 5 HD11 LEU 5 5.172 2.096 4.483
28 HD12 LEU 5 HD12 LEU 5 5.779 3.404 3.470
29 HD13 LEU 5 HD13 LEU 5 5.729 3.597 5.222
30 HD21 LEU 5 HD21 LEU 5 7.502 2.682 6.625
31 HD22 LEU 5 HD22 LEU 5 8.526 1.382 6.018
32 HD23 LEU 5 HD23 LEU 5 6.795 1.121 6.218
33 H ALA 6 HN ALA 6 7.621 -0.436 1.055
34 HA ALA 6 HA ALA 6 9.579 -2.418 1.555
35 HB1 ALA 6 HB1 ALA 6 7.704 -1.861 -0.726
36 HB2 ALA 6 HB2 ALA 6 7.733 -3.233 0.379
37 HB3 ALA 6 HB3 ALA 6 8.924 -3.118 -0.916
38 H CGU 7 HN GLA 7 9.457 0.004 -1.078
39 HA CGU 7 HA GLA 7 11.985 -0.642 -2.243
40 HB2 CGU 7 HB1 GLA 7 11.884 1.727 -3.089
41 HB3 CGU 7 HB2 GLA 7 10.463 1.988 -2.078
42 HG CGU 7 HG GLA 7 9.506 -0.133 -3.312
43 H LYS 8 HN LYS 8 11.051 1.807 0.177
44 HA LYS 8 HA LYS 8 13.593 2.875 0.784
45 HB2 LYS 8 HB2 LYS 8 10.968 2.852 1.957
46 HB3 LYS 8 HB1 LYS 8 12.163 2.589 3.222
47 HG2 LYS 8 HG2 LYS 8 12.224 4.883 3.198
48 HG3 LYS 8 HG1 LYS 8 13.390 4.591 1.911
49 HD2 LYS 8 HD2 LYS 8 10.436 4.850 1.318
50 HD3 LYS 8 HD1 LYS 8 11.469 6.274 1.436
51 HE2 LYS 8 HE2 LYS 8 11.883 3.932 -0.450
52 HE3 LYS 8 HE1 LYS 8 11.296 5.535 -0.901
53 HZ1 LYS 8 HZ1 LYS 8 13.356 6.351 -0.896
54 HZ2 LYS 8 HZ2 LYS 8 13.912 4.748 -0.820
55 HZ3 LYS 8 HZ3 LYS 8 13.723 5.656 0.605
56 H ALA 9 HN ALA 9 11.909 0.093 2.199
57 HA ALA 9 HA ALA 9 13.851 -0.696 4.084
58 HB1 ALA 9 HB1 ALA 9 12.333 -2.318 4.446
59 HB2 ALA 9 HB2 ALA 9 12.632 -3.012 2.854
60 HB3 ALA 9 HB3 ALA 9 11.436 -1.733 3.048
61 H CGU 10 HN GLA 10 13.525 -1.890 0.689
62 HA CGU 10 HA GLA 10 15.951 -3.425 0.895
63 HB2 CGU 10 HB1 GLA 10 14.274 -2.536 -1.470
64 HB3 CGU 10 HB2 GLA 10 14.414 -4.153 -0.776
65 HG CGU 10 HG GLA 10 16.822 -2.716 -1.816
66 H PHE 11 HN PHE 11 15.214 -0.190 -0.481
67 HA PHE 11 HA PHE 11 17.867 0.313 -1.464
68 HB2 PHE 11 HB2 PHE 11 16.434 1.875 -2.309
69 HB3 PHE 11 HB1 PHE 11 15.430 1.884 -0.878
70 HD1 PHE 11 HD1 PHE 11 16.669 2.959 1.302
71 HD2 PHE 11 HD2 PHE 11 17.681 3.762 -2.799
72 HE1 PHE 11 HE1 PHE 11 17.615 5.144 1.964
73 HE2 PHE 11 HE2 PHE 11 18.624 5.953 -2.130
74 HZ PHE 11 HZ PHE 11 18.595 6.642 0.251
75 H ALA 12 HN ALA 12 16.325 0.895 1.694
76 HA ALA 12 HA ALA 12 18.526 2.206 2.917
77 HB1 ALA 12 HB1 ALA 12 16.308 1.990 3.992
78 HB2 ALA 12 HB2 ALA 12 17.583 1.387 5.052
79 HB3 ALA 12 HB3 ALA 12 16.563 0.254 4.167
80 H ARG 13 HN ARG 13 17.858 -1.265 2.428
81 HA ARG 13 HA ARG 13 20.055 -2.256 3.976
82 HB2 ARG 13 HB2 ARG 13 18.193 -3.667 3.103
83 HB3 ARG 13 HB1 ARG 13 18.842 -3.470 1.475
84 HG2 ARG 13 HG2 ARG 13 20.941 -4.531 2.144
85 HG3 ARG 13 HG1 ARG 13 20.375 -4.654 3.809
86 HD2 ARG 13 HD2 ARG 13 19.993 -6.802 2.843
87 HD3 ARG 13 HD1 ARG 13 18.414 -6.016 2.903
88 HE ARG 13 HE ARG 13 19.437 -5.363 0.376
89 HH11 ARG 13 HH11 ARG 13 20.620 -8.176 0.962
90 HH12 ARG 13 HH12 ARG 13 19.472 -9.160 0.126
91 HH21 ARG 13 HH21 ARG 13 17.157 -6.605 -0.171
92 HH22 ARG 13 HH22 ARG 13 17.507 -8.273 -0.516
93 H CGU 14 HN GLA 14 19.901 -2.020 0.391
94 HA CGU 14 HA GLA 14 22.700 -2.319 0.023
95 HB2 CGU 14 HB1 GLA 14 22.176 -1.196 -2.224
96 HB3 CGU 14 HB2 GLA 14 20.509 -1.093 -1.665
97 HG CGU 14 HG GLA 14 21.928 -3.711 -1.419
98 H LEU 15 HN LEU 15 20.678 0.578 0.487
99 HA LEU 15 HA LEU 15 22.807 2.459 0.018
100 HB2 LEU 15 HB2 LEU 15 20.182 2.626 1.497
101 HB3 LEU 15 HB1 LEU 15 21.275 3.997 1.359
102 HG LEU 15 HG LEU 15 19.336 3.451 -0.422
103 HD11 LEU 15 HD11 LEU 15 20.546 4.926 -1.972
104 HD12 LEU 15 HD12 LEU 15 22.013 4.680 -1.026
105 HD13 LEU 15 HD13 LEU 15 20.628 5.500 -0.308
106 HD21 LEU 15 HD21 LEU 15 20.363 1.354 -1.219
107 HD22 LEU 15 HD22 LEU 15 21.828 2.239 -1.636
108 HD23 LEU 15 HD23 LEU 15 20.325 2.571 -2.488
109 H ALA 16 HN ALA 16 21.527 0.920 2.982
110 HA ALA 16 HA ALA 16 23.196 2.257 4.852
111 HB1 ALA 16 HB1 ALA 16 22.956 0.158 6.227
112 HB2 ALA 16 HB2 ALA 16 22.172 -0.602 4.842
113 HB3 ALA 16 HB3 ALA 16 21.423 0.788 5.628
114 H ASN 17 HN ASN 17 23.832 -0.603 2.817
115 HA ASN 17 HA ASN 17 26.600 -0.759 3.846
116 HB2 ASN 17 HB2 ASN 17 25.304 -2.839 3.163
117 HB3 ASN 17 HB1 ASN 17 25.445 -2.291 1.492
118 HD21 ASN 17 HD21 ASN 17 28.225 -1.114 2.135
119 HD22 ASN 17 HD22 ASN 17 29.242 -2.484 2.175
120 H TYR 18 HN TYR 18 24.886 0.341 0.936
121 HA TYR 18 HA TYR 18 27.270 0.920 -0.585
122 HB2 TYR 18 HB2 TYR 18 25.036 0.740 -1.637
123 HB3 TYR 18 HB1 TYR 18 24.513 2.179 -0.764
124 HD1 TYR 18 HD1 TYR 18 25.745 4.374 -1.162
125 HD2 TYR 18 HD2 TYR 18 26.267 0.925 -3.667
126 HE1 TYR 18 HE1 TYR 18 26.732 5.805 -2.931
127 HE2 TYR 18 HE2 TYR 18 27.249 2.362 -5.434
128 HH TYR 18 HH TYR 18 28.549 4.778 -5.303
129 HN1 NH2 19 H1 NH2 19 25.267 2.950 1.640
130 HN2 NH2 19 H2 NH2 19 26.435 4.199 1.756
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 1.272 3.480 0.013
2 H2 GLY 1 HT2 GLY 1 2.769 3.353 -0.796
3 H3 GLY 1 HT3 GLY 1 2.158 4.881 -0.363
4 HA2 GLY 1 HA1 GLY 1 3.636 4.615 1.326
5 HA3 GLY 1 HA2 GLY 1 2.217 3.850 2.042
6 H GLU 2 HN GLU 2 2.013 1.419 1.297
7 HA GLU 2 HA GLU 2 4.030 -0.109 2.445
8 HB2 GLU 2 HB2 GLU 2 1.749 -0.910 1.773
9 HB3 GLU 2 HB1 GLU 2 2.316 -0.993 0.106
10 HG2 GLU 2 HG2 GLU 2 4.113 -2.566 0.828
11 HG3 GLU 2 HG1 GLU 2 3.449 -2.533 2.463
12 H CGU 3 HN GLA 3 3.642 0.314 -1.110
13 HA CGU 3 HA GLA 3 6.048 -1.006 -1.821
14 HB2 CGU 3 HB1 GLA 3 4.717 1.347 -3.246
15 HB3 CGU 3 HB2 GLA 3 4.309 -0.350 -3.526
16 HG CGU 3 HG GLA 3 7.030 0.935 -3.970
17 H CGU 4 HN GLA 4 5.503 2.457 -1.101
18 HA CGU 4 HA GLA 4 8.149 3.340 -1.611
19 HB2 CGU 4 HB1 GLA 4 7.604 5.201 -0.071
20 HB3 CGU 4 HB2 GLA 4 6.178 4.321 0.480
21 HG CGU 4 HG GLA 4 6.439 4.673 -2.474
22 H LEU 5 HN LEU 5 6.668 2.166 1.436
23 HA LEU 5 HA LEU 5 9.070 2.267 2.988
24 HB2 LEU 5 HB2 LEU 5 6.471 0.763 3.175
25 HB3 LEU 5 HB1 LEU 5 7.809 0.295 4.225
26 HG LEU 5 HG LEU 5 7.945 2.912 4.663
27 HD11 LEU 5 HD11 LEU 5 6.219 3.597 3.115
28 HD12 LEU 5 HD12 LEU 5 5.609 3.840 4.752
29 HD13 LEU 5 HD13 LEU 5 5.077 2.447 3.811
30 HD21 LEU 5 HD21 LEU 5 7.580 1.392 6.470
31 HD22 LEU 5 HD22 LEU 5 5.988 0.941 5.862
32 HD23 LEU 5 HD23 LEU 5 6.249 2.545 6.546
33 H ALA 6 HN ALA 6 7.585 -0.334 1.053
34 HA ALA 6 HA ALA 6 9.509 -2.366 1.536
35 HB1 ALA 6 HB1 ALA 6 7.353 -2.690 0.300
36 HB2 ALA 6 HB2 ALA 6 8.735 -3.358 -0.567
37 HB3 ALA 6 HB3 ALA 6 8.041 -1.815 -1.067
38 H CGU 7 HN GLA 7 9.415 0.016 -1.152
39 HA CGU 7 HA GLA 7 11.937 -0.664 -2.273
40 HB2 CGU 7 HB1 GLA 7 11.900 1.680 -3.157
41 HB3 CGU 7 HB2 GLA 7 10.502 2.015 -2.135
42 HG CGU 7 HG GLA 7 9.458 -0.098 -3.326
43 H LYS 8 HN LYS 8 11.061 1.745 0.201
44 HA LYS 8 HA LYS 8 13.655 2.763 0.731
45 HB2 LYS 8 HB2 LYS 8 11.438 3.617 1.614
46 HB3 LYS 8 HB1 LYS 8 11.492 2.308 2.794
47 HG2 LYS 8 HG2 LYS 8 13.028 3.378 4.067
48 HG3 LYS 8 HG1 LYS 8 14.010 3.794 2.661
49 HD2 LYS 8 HD2 LYS 8 11.482 5.288 2.762
50 HD3 LYS 8 HD1 LYS 8 12.509 5.585 4.165
51 HE2 LYS 8 HE2 LYS 8 13.505 5.734 1.305
52 HE3 LYS 8 HE1 LYS 8 12.942 7.137 2.217
53 HZ1 LYS 8 HZ1 LYS 8 15.413 6.669 2.289
54 HZ2 LYS 8 HZ2 LYS 8 15.044 5.318 3.250
55 HZ3 LYS 8 HZ3 LYS 8 14.654 6.877 3.789
56 H ALA 9 HN ALA 9 11.909 0.028 2.186
57 HA ALA 9 HA ALA 9 13.868 -0.794 4.052
58 HB1 ALA 9 HB1 ALA 9 12.310 -2.853 2.530
59 HB2 ALA 9 HB2 ALA 9 11.426 -1.674 3.499
60 HB3 ALA 9 HB3 ALA 9 12.610 -2.735 4.265
61 H CGU 10 HN GLA 10 13.500 -1.834 0.619
62 HA CGU 10 HA GLA 10 15.877 -3.469 0.755
63 HB2 CGU 10 HB1 GLA 10 14.178 -2.466 -1.549
64 HB3 CGU 10 HB2 GLA 10 14.295 -4.107 -0.914
65 HG CGU 10 HG GLA 10 16.694 -2.680 -1.991
66 H PHE 11 HN PHE 11 15.195 -0.170 -0.508
67 HA PHE 11 HA PHE 11 17.880 0.302 -1.451
68 HB2 PHE 11 HB2 PHE 11 16.636 1.977 -2.313
69 HB3 PHE 11 HB1 PHE 11 15.426 1.844 -1.056
70 HD1 PHE 11 HD1 PHE 11 17.855 3.941 -2.450
71 HD2 PHE 11 HD2 PHE 11 16.300 2.716 1.356
72 HE1 PHE 11 HE1 PHE 11 18.642 6.067 -1.434
73 HE2 PHE 11 HE2 PHE 11 17.110 4.820 2.377
74 HZ PHE 11 HZ PHE 11 18.278 6.502 0.978
75 H ALA 12 HN ALA 12 16.287 0.762 1.679
76 HA ALA 12 HA ALA 12 18.437 2.105 2.985
77 HB1 ALA 12 HB1 ALA 12 17.449 1.086 5.080
78 HB2 ALA 12 HB2 ALA 12 16.339 0.188 4.045
79 HB3 ALA 12 HB3 ALA 12 16.284 1.950 4.077
80 H ARG 13 HN ARG 13 17.899 -1.295 2.203
81 HA ARG 13 HA ARG 13 20.059 -2.277 3.874
82 HB2 ARG 13 HB2 ARG 13 18.199 -3.719 3.067
83 HB3 ARG 13 HB1 ARG 13 18.800 -3.541 1.419
84 HG2 ARG 13 HG2 ARG 13 20.953 -4.548 2.088
85 HG3 ARG 13 HG1 ARG 13 20.360 -4.724 3.739
86 HD2 ARG 13 HD2 ARG 13 20.054 -6.852 2.675
87 HD3 ARG 13 HD1 ARG 13 18.456 -6.114 2.794
88 HE ARG 13 HE ARG 13 19.433 -5.327 0.281
89 HH11 ARG 13 HH11 ARG 13 17.175 -6.539 -0.330
90 HH12 ARG 13 HH12 ARG 13 17.518 -8.194 -0.730
91 HH21 ARG 13 HH21 ARG 13 20.614 -8.185 0.776
92 HH22 ARG 13 HH22 ARG 13 19.461 -9.123 -0.106
93 H CGU 14 HN GLA 14 19.857 -2.112 0.288
94 HA CGU 14 HA GLA 14 22.624 -2.477 -0.152
95 HB2 CGU 14 HB1 GLA 14 22.092 -1.335 -2.387
96 HB3 CGU 14 HB2 GLA 14 20.447 -1.157 -1.784
97 HG CGU 14 HG GLA 14 21.722 -3.850 -1.566
98 H LEU 15 HN LEU 15 20.797 0.566 0.349
99 HA LEU 15 HA LEU 15 23.235 2.115 -0.111
100 HB2 LEU 15 HB2 LEU 15 20.397 2.828 0.633
101 HB3 LEU 15 HB1 LEU 15 21.681 4.036 0.682
102 HG LEU 15 HG LEU 15 22.229 3.123 -1.737
103 HD11 LEU 15 HD11 LEU 15 19.349 2.315 -1.317
104 HD12 LEU 15 HD12 LEU 15 20.690 1.272 -1.779
105 HD13 LEU 15 HD13 LEU 15 20.094 2.491 -2.903
106 HD21 LEU 15 HD21 LEU 15 19.960 4.643 -2.306
107 HD22 LEU 15 HD22 LEU 15 21.588 5.260 -2.039
108 HD23 LEU 15 HD23 LEU 15 20.450 5.173 -0.696
109 H ALA 16 HN ALA 16 21.828 0.544 2.618
110 HA ALA 16 HA ALA 16 22.859 2.294 4.674
111 HB1 ALA 16 HB1 ALA 16 22.010 -0.591 4.596
112 HB2 ALA 16 HB2 ALA 16 21.331 0.742 5.529
113 HB3 ALA 16 HB3 ALA 16 22.867 0.023 6.009
114 H ASN 17 HN ASN 17 24.169 -0.652 3.117
115 HA ASN 17 HA ASN 17 26.718 -0.486 4.493
116 HB2 ASN 17 HB2 ASN 17 27.478 -2.074 2.688
117 HB3 ASN 17 HB1 ASN 17 26.021 -2.611 3.523
118 HD21 ASN 17 HD21 ASN 17 27.083 -0.903 0.549
119 HD22 ASN 17 HD22 ASN 17 25.722 -1.358 -0.373
120 H TYR 18 HN TYR 18 25.327 0.939 1.646
121 HA TYR 18 HA TYR 18 27.845 1.907 0.531
122 HB2 TYR 18 HB2 TYR 18 25.784 1.476 -0.839
123 HB3 TYR 18 HB1 TYR 18 25.013 2.839 -0.027
124 HD1 TYR 18 HD1 TYR 18 28.146 1.996 -1.922
125 HD2 TYR 18 HD2 TYR 18 25.207 4.974 -0.959
126 HE1 TYR 18 HE1 TYR 18 29.206 3.565 -3.524
127 HE2 TYR 18 HE2 TYR 18 26.268 6.536 -2.565
128 HH TYR 18 HH TYR 18 29.005 6.572 -3.536
129 HN1 NH2 19 H1 NH2 19 25.074 3.580 2.196
130 HN2 NH2 19 H2 NH2 19 26.032 4.895 2.734
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 0.319 1.779 -0.306
2 H2 GLY 1 HT2 GLY 1 1.721 1.267 -1.127
3 H3 GLY 1 HT3 GLY 1 1.135 2.857 -1.333
4 HA2 GLY 1 HA1 GLY 1 2.574 3.476 0.249
5 HA3 GLY 1 HA2 GLY 1 1.475 2.673 1.375
6 H GLU 2 HN GLU 2 1.753 0.096 0.958
7 HA GLU 2 HA GLU 2 3.969 -0.870 2.260
8 HB2 GLU 2 HB2 GLU 2 3.560 -3.006 1.065
9 HB3 GLU 2 HB1 GLU 2 2.047 -2.250 1.560
10 HG2 GLU 2 HG2 GLU 2 3.264 -2.303 -1.221
11 HG3 GLU 2 HG1 GLU 2 1.718 -2.967 -0.709
12 H CGU 3 HN GLA 3 3.727 -0.443 -1.285
13 HA CGU 3 HA GLA 3 6.409 -1.273 -1.876
14 HB2 CGU 3 HB1 GLA 3 4.594 0.680 -3.372
15 HB3 CGU 3 HB2 GLA 3 4.596 -1.069 -3.623
16 HG CGU 3 HG GLA 3 6.963 0.787 -4.060
17 H CGU 4 HN GLA 4 5.016 1.894 -1.094
18 HA CGU 4 HA GLA 4 7.360 3.456 -1.581
19 HB2 CGU 4 HB1 GLA 4 6.190 4.855 0.387
20 HB3 CGU 4 HB2 GLA 4 4.852 3.771 0.011
21 HG CGU 4 HG GLA 4 5.221 4.412 -2.444
22 H LEU 5 HN LEU 5 6.321 1.486 1.143
23 HA LEU 5 HA LEU 5 8.554 2.367 2.836
24 HB2 LEU 5 HB2 LEU 5 6.335 0.333 3.104
25 HB3 LEU 5 HB1 LEU 5 7.676 0.374 4.248
26 HG LEU 5 HG LEU 5 7.084 2.979 4.282
27 HD11 LEU 5 HD11 LEU 5 5.286 2.841 2.634
28 HD12 LEU 5 HD12 LEU 5 4.618 3.268 4.208
29 HD13 LEU 5 HD13 LEU 5 4.464 1.618 3.602
30 HD21 LEU 5 HD21 LEU 5 5.631 0.776 5.769
31 HD22 LEU 5 HD22 LEU 5 5.582 2.474 6.242
32 HD23 LEU 5 HD23 LEU 5 7.111 1.595 6.267
33 H ALA 6 HN ALA 6 7.571 -0.581 1.070
34 HA ALA 6 HA ALA 6 9.800 -2.205 1.675
35 HB1 ALA 6 HB1 ALA 6 9.003 -2.442 -1.126
36 HB2 ALA 6 HB2 ALA 6 7.607 -2.362 -0.050
37 HB3 ALA 6 HB3 ALA 6 8.831 -3.607 0.187
38 H CGU 7 HN GLA 7 9.409 0.105 -1.038
39 HA CGU 7 HA GLA 7 11.964 -0.217 -2.211
40 HB2 CGU 7 HB1 GLA 7 11.638 2.186 -2.946
41 HB3 CGU 7 HB2 GLA 7 10.186 2.236 -1.946
42 HG CGU 7 HG GLA 7 9.493 0.074 -3.300
43 H LYS 8 HN LYS 8 10.939 2.207 0.220
44 HA LYS 8 HA LYS 8 13.519 3.281 0.744
45 HB2 LYS 8 HB2 LYS 8 11.115 2.978 2.558
46 HB3 LYS 8 HB1 LYS 8 12.539 3.938 2.956
47 HG2 LYS 8 HG2 LYS 8 12.177 5.333 0.958
48 HG3 LYS 8 HG1 LYS 8 10.760 4.370 0.535
49 HD2 LYS 8 HD2 LYS 8 9.918 4.969 2.923
50 HD3 LYS 8 HD1 LYS 8 11.134 6.243 2.870
51 HE2 LYS 8 HE2 LYS 8 9.206 7.307 2.036
52 HE3 LYS 8 HE1 LYS 8 10.079 6.850 0.571
53 HZ1 LYS 8 HZ1 LYS 8 8.021 6.011 0.081
54 HZ2 LYS 8 HZ2 LYS 8 7.638 5.703 1.720
55 HZ3 LYS 8 HZ3 LYS 8 8.690 4.652 0.881
56 H ALA 9 HN ALA 9 11.775 0.554 2.225
57 HA ALA 9 HA ALA 9 13.752 -0.066 4.203
58 HB1 ALA 9 HB1 ALA 9 11.312 -0.944 3.910
59 HB2 ALA 9 HB2 ALA 9 12.527 -2.032 4.580
60 HB3 ALA 9 HB3 ALA 9 12.052 -2.175 2.888
61 H CGU 10 HN GLA 10 13.338 -1.277 0.851
62 HA CGU 10 HA GLA 10 15.593 -3.072 1.078
63 HB2 CGU 10 HB1 GLA 10 13.917 -2.071 -1.229
64 HB3 CGU 10 HB2 GLA 10 14.002 -3.698 -0.554
65 HG CGU 10 HG GLA 10 16.436 -2.405 -1.714
66 H PHE 11 HN PHE 11 15.156 0.201 -0.335
67 HA PHE 11 HA PHE 11 17.793 0.464 -1.410
68 HB2 PHE 11 HB2 PHE 11 16.619 2.265 -2.118
69 HB3 PHE 11 HB1 PHE 11 15.544 2.220 -0.734
70 HD1 PHE 11 HD1 PHE 11 16.709 2.957 1.573
71 HD2 PHE 11 HD2 PHE 11 18.059 4.072 -2.346
72 HE1 PHE 11 HE1 PHE 11 17.819 4.952 2.531
73 HE2 PHE 11 HE2 PHE 11 19.167 6.074 -1.386
74 HZ PHE 11 HZ PHE 11 19.052 6.512 1.050
75 H ALA 12 HN ALA 12 16.521 0.884 1.841
76 HA ALA 12 HA ALA 12 18.816 2.065 3.031
77 HB1 ALA 12 HB1 ALA 12 16.656 1.859 4.201
78 HB2 ALA 12 HB2 ALA 12 17.944 1.114 5.148
79 HB3 ALA 12 HB3 ALA 12 16.830 0.104 4.227
80 H ARG 13 HN ARG 13 17.976 -1.371 2.488
81 HA ARG 13 HA ARG 13 20.271 -2.459 3.804
82 HB2 ARG 13 HB2 ARG 13 18.693 -3.540 1.451
83 HB3 ARG 13 HB1 ARG 13 19.851 -4.475 2.397
84 HG2 ARG 13 HG2 ARG 13 18.500 -4.047 4.438
85 HG3 ARG 13 HG1 ARG 13 17.329 -3.160 3.460
86 HD2 ARG 13 HD2 ARG 13 16.547 -5.456 3.781
87 HD3 ARG 13 HD1 ARG 13 16.966 -5.205 2.085
88 HE ARG 13 HE ARG 13 18.710 -6.784 2.342
89 HH11 ARG 13 HH11 ARG 13 20.264 -5.625 4.477
90 HH12 ARG 13 HH12 ARG 13 20.042 -6.723 5.796
91 HH21 ARG 13 HH21 ARG 13 17.253 -8.197 4.403
92 HH22 ARG 13 HH22 ARG 13 18.334 -8.180 5.752
93 H CGU 14 HN GLA 14 19.817 -2.146 0.260
94 HA CGU 14 HA GLA 14 22.495 -2.683 -0.438
95 HB2 CGU 14 HB1 GLA 14 21.876 -1.411 -2.568
96 HB3 CGU 14 HB2 GLA 14 20.316 -1.103 -1.814
97 HG CGU 14 HG GLA 14 21.308 -3.916 -1.765
98 H LEU 15 HN LEU 15 20.984 0.465 0.346
99 HA LEU 15 HA LEU 15 23.512 1.833 -0.252
100 HB2 LEU 15 HB2 LEU 15 20.768 2.739 0.630
101 HB3 LEU 15 HB1 LEU 15 22.132 3.857 0.590
102 HG LEU 15 HG LEU 15 22.483 2.880 -1.841
103 HD11 LEU 15 HD11 LEU 15 19.558 2.328 -1.305
104 HD12 LEU 15 HD12 LEU 15 20.793 1.136 -1.700
105 HD13 LEU 15 HD13 LEU 15 20.304 2.331 -2.900
106 HD21 LEU 15 HD21 LEU 15 20.277 4.539 -2.294
107 HD22 LEU 15 HD22 LEU 15 21.961 5.041 -2.168
108 HD23 LEU 15 HD23 LEU 15 20.927 5.065 -0.741
109 H ALA 16 HN ALA 16 21.701 0.934 2.703
110 HA ALA 16 HA ALA 16 23.578 2.356 4.435
111 HB1 ALA 16 HB1 ALA 16 21.189 1.683 5.055
112 HB2 ALA 16 HB2 ALA 16 22.424 1.335 6.266
113 HB3 ALA 16 HB3 ALA 16 21.803 0.040 5.243
114 H ASN 17 HN ASN 17 23.389 -0.829 2.998
115 HA ASN 17 HA ASN 17 25.696 -1.783 4.625
116 HB2 ASN 17 HB2 ASN 17 23.658 -3.261 4.032
117 HB3 ASN 17 HB1 ASN 17 24.318 -3.309 2.396
118 HD21 ASN 17 HD21 ASN 17 27.084 -3.512 2.926
119 HD22 ASN 17 HD22 ASN 17 27.378 -4.974 3.768
120 H TYR 18 HN TYR 18 25.304 0.146 2.034
121 HA TYR 18 HA TYR 18 27.119 -0.916 0.082
122 HB2 TYR 18 HB2 TYR 18 25.427 1.042 -0.126
123 HB3 TYR 18 HB1 TYR 18 26.687 2.035 0.597
124 HD1 TYR 18 HD1 TYR 18 29.022 2.007 -0.528
125 HD2 TYR 18 HD2 TYR 18 25.455 0.574 -2.444
126 HE1 TYR 18 HE1 TYR 18 30.122 2.214 -2.737
127 HE2 TYR 18 HE2 TYR 18 26.562 0.784 -4.651
128 HH TYR 18 HH TYR 18 29.174 2.559 -5.233
129 HN1 NH2 19 H1 NH2 19 27.669 1.343 2.841
130 HN2 NH2 19 H2 NH2 19 29.374 1.203 2.803
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 1.716 4.766 -0.706
2 H2 GLY 1 HT2 GLY 1 3.164 3.876 -0.822
3 H3 GLY 1 HT3 GLY 1 2.901 4.918 0.500
4 HA2 GLY 1 HA1 GLY 1 1.323 3.524 1.472
5 HA3 GLY 1 HA2 GLY 1 1.088 2.641 -0.036
6 H GLU 2 HN GLU 2 1.696 0.586 0.642
7 HA GLU 2 HA GLU 2 3.899 -0.002 2.373
8 HB2 GLU 2 HB2 GLU 2 2.045 -1.569 1.964
9 HB3 GLU 2 HB1 GLU 2 2.555 -1.746 0.285
10 HG2 GLU 2 HG2 GLU 2 4.791 -2.562 1.130
11 HG3 GLU 2 HG1 GLU 2 4.112 -2.556 2.758
12 H CGU 3 HN GLA 3 3.660 -0.248 -1.195
13 HA CGU 3 HA GLA 3 6.179 -1.233 -1.823
14 HB2 CGU 3 HB1 GLA 3 4.738 1.059 -3.243
15 HB3 CGU 3 HB2 GLA 3 4.457 -0.656 -3.570
16 HG CGU 3 HG GLA 3 7.076 0.848 -3.942
17 H CGU 4 HN GLA 4 5.414 2.172 -1.073
18 HA CGU 4 HA GLA 4 7.981 3.271 -1.513
19 HB2 CGU 4 HB1 GLA 4 7.233 4.913 0.329
20 HB3 CGU 4 HB2 GLA 4 5.765 3.938 0.427
21 HG CGU 4 HG GLA 4 6.784 5.276 -2.133
22 H LEU 5 HN LEU 5 6.619 1.775 1.428
23 HA LEU 5 HA LEU 5 9.019 2.074 2.998
24 HB2 LEU 5 HB2 LEU 5 6.552 0.339 3.200
25 HB3 LEU 5 HB1 LEU 5 7.911 0.103 4.297
26 HG LEU 5 HG LEU 5 7.724 2.703 4.650
27 HD11 LEU 5 HD11 LEU 5 5.030 1.941 3.509
28 HD12 LEU 5 HD12 LEU 5 6.085 3.262 3.009
29 HD13 LEU 5 HD13 LEU 5 5.250 3.341 4.560
30 HD21 LEU 5 HD21 LEU 5 5.985 2.268 6.441
31 HD22 LEU 5 HD22 LEU 5 7.348 1.148 6.453
32 HD23 LEU 5 HD23 LEU 5 5.801 0.647 5.770
33 H ALA 6 HN ALA 6 7.638 -0.576 1.064
34 HA ALA 6 HA ALA 6 9.643 -2.529 1.492
35 HB1 ALA 6 HB1 ALA 6 8.799 -3.610 -0.442
36 HB2 ALA 6 HB2 ALA 6 8.350 -2.083 -1.203
37 HB3 ALA 6 HB3 ALA 6 7.419 -2.693 0.164
38 H CGU 7 HN GLA 7 9.475 -0.034 -1.079
39 HA CGU 7 HA GLA 7 12.001 -0.615 -2.260
40 HB2 CGU 7 HB1 GLA 7 11.889 1.795 -3.016
41 HB3 CGU 7 HB2 GLA 7 10.448 1.989 -2.018
42 HG CGU 7 HG GLA 7 9.551 -0.105 -3.340
43 H LYS 8 HN LYS 8 11.128 1.838 0.200
44 HA LYS 8 HA LYS 8 13.743 2.751 0.781
45 HB2 LYS 8 HB2 LYS 8 11.218 2.555 2.401
46 HB3 LYS 8 HB1 LYS 8 12.712 3.139 3.136
47 HG2 LYS 8 HG2 LYS 8 12.906 4.874 1.398
48 HG3 LYS 8 HG1 LYS 8 11.423 4.287 0.639
49 HD2 LYS 8 HD2 LYS 8 10.140 4.825 2.647
50 HD3 LYS 8 HD1 LYS 8 11.609 5.330 3.483
51 HE2 LYS 8 HE2 LYS 8 11.951 7.113 1.798
52 HE3 LYS 8 HE1 LYS 8 10.466 6.618 0.981
53 HZ1 LYS 8 HZ1 LYS 8 10.577 8.482 2.910
54 HZ2 LYS 8 HZ2 LYS 8 10.189 7.104 3.825
55 HZ3 LYS 8 HZ3 LYS 8 9.189 7.580 2.538
56 H ALA 9 HN ALA 9 11.885 0.059 2.187
57 HA ALA 9 HA ALA 9 13.758 -0.808 4.117
58 HB1 ALA 9 HB1 ALA 9 12.596 -2.886 4.112
59 HB2 ALA 9 HB2 ALA 9 12.124 -2.707 2.422
60 HB3 ALA 9 HB3 ALA 9 11.386 -1.686 3.657
61 H CGU 10 HN GLA 10 13.522 -1.867 0.676
62 HA CGU 10 HA GLA 10 15.920 -3.470 0.910
63 HB2 CGU 10 HB1 GLA 10 14.214 -2.579 -1.424
64 HB3 CGU 10 HB2 GLA 10 14.428 -4.204 -0.773
65 HG CGU 10 HG GLA 10 16.778 -2.688 -1.830
66 H PHE 11 HN PHE 11 15.233 -0.234 -0.495
67 HA PHE 11 HA PHE 11 17.879 0.244 -1.465
68 HB2 PHE 11 HB2 PHE 11 16.690 1.961 -2.279
69 HB3 PHE 11 HB1 PHE 11 15.434 1.748 -1.078
70 HD1 PHE 11 HD1 PHE 11 16.223 2.534 1.402
71 HD2 PHE 11 HD2 PHE 11 17.817 3.971 -2.311
72 HE1 PHE 11 HE1 PHE 11 16.912 4.633 2.524
73 HE2 PHE 11 HE2 PHE 11 18.504 6.079 -1.190
74 HZ PHE 11 HZ PHE 11 18.057 6.406 1.225
75 H ALA 12 HN ALA 12 16.440 0.583 1.730
76 HA ALA 12 HA ALA 12 18.584 2.002 2.965
77 HB1 ALA 12 HB1 ALA 12 17.768 0.885 5.073
78 HB2 ALA 12 HB2 ALA 12 16.676 -0.081 4.078
79 HB3 ALA 12 HB3 ALA 12 16.486 1.671 4.149
80 H ARG 13 HN ARG 13 18.063 -1.482 2.405
81 HA ARG 13 HA ARG 13 20.388 -2.401 3.788
82 HB2 ARG 13 HB2 ARG 13 19.016 -3.581 1.352
83 HB3 ARG 13 HB1 ARG 13 20.160 -4.435 2.388
84 HG2 ARG 13 HG2 ARG 13 18.655 -4.169 4.307
85 HG3 ARG 13 HG1 ARG 13 17.534 -3.234 3.323
86 HD2 ARG 13 HD2 ARG 13 16.672 -5.474 3.389
87 HD3 ARG 13 HD1 ARG 13 17.367 -5.246 1.783
88 HE ARG 13 HE ARG 13 18.915 -6.945 2.308
89 HH11 ARG 13 HH11 ARG 13 17.494 -8.404 4.185
90 HH12 ARG 13 HH12 ARG 13 18.348 -8.230 5.678
91 HH21 ARG 13 HH21 ARG 13 20.091 -5.448 4.625
92 HH22 ARG 13 HH22 ARG 13 19.821 -6.552 5.930
93 H CGU 14 HN GLA 14 20.024 -2.059 0.231
94 HA CGU 14 HA GLA 14 22.784 -2.331 -0.342
95 HB2 CGU 14 HB1 GLA 14 22.138 -1.169 -2.516
96 HB3 CGU 14 HB2 GLA 14 20.520 -0.998 -1.845
97 HG CGU 14 HG GLA 14 21.772 -3.704 -1.710
98 H LEU 15 HN LEU 15 20.885 0.638 0.332
99 HA LEU 15 HA LEU 15 23.253 2.285 -0.178
100 HB2 LEU 15 HB2 LEU 15 20.408 2.863 0.652
101 HB3 LEU 15 HB1 LEU 15 21.637 4.127 0.684
102 HG LEU 15 HG LEU 15 22.163 3.265 -1.759
103 HD11 LEU 15 HD11 LEU 15 20.674 1.342 -1.714
104 HD12 LEU 15 HD12 LEU 15 20.092 2.507 -2.900
105 HD13 LEU 15 HD13 LEU 15 19.305 2.381 -1.330
106 HD21 LEU 15 HD21 LEU 15 20.346 5.234 -0.649
107 HD22 LEU 15 HD22 LEU 15 19.806 4.690 -2.239
108 HD23 LEU 15 HD23 LEU 15 21.420 5.368 -2.039
109 H ALA 16 HN ALA 16 21.473 1.230 2.766
110 HA ALA 16 HA ALA 16 23.068 2.835 4.561
111 HB1 ALA 16 HB1 ALA 16 20.928 1.642 5.193
112 HB2 ALA 16 HB2 ALA 16 22.254 1.392 6.328
113 HB3 ALA 16 HB3 ALA 16 21.835 0.129 5.171
114 H ASN 17 HN ASN 17 23.614 -0.168 2.888
115 HA ASN 17 HA ASN 17 26.071 -0.741 4.461
116 HB2 ASN 17 HB2 ASN 17 24.466 -2.574 3.626
117 HB3 ASN 17 HB1 ASN 17 25.090 -2.237 2.011
118 HD21 ASN 17 HD21 ASN 17 27.869 -1.756 2.788
119 HD22 ASN 17 HD22 ASN 17 28.494 -3.256 3.322
120 H TYR 18 HN TYR 18 25.130 1.055 1.747
121 HA TYR 18 HA TYR 18 27.562 0.750 0.174
122 HB2 TYR 18 HB2 TYR 18 25.593 1.455 -0.999
123 HB3 TYR 18 HB1 TYR 18 25.305 2.771 0.141
124 HD1 TYR 18 HD1 TYR 18 28.011 1.518 -2.157
125 HD2 TYR 18 HD2 TYR 18 25.992 4.916 -0.467
126 HE1 TYR 18 HE1 TYR 18 29.396 3.036 -3.548
127 HE2 TYR 18 HE2 TYR 18 27.382 6.428 -1.860
128 HH TYR 18 HH TYR 18 28.770 5.833 -4.384
129 HN1 NH2 19 H1 NH2 19 26.340 3.476 2.236
130 HN2 NH2 19 H2 NH2 19 27.898 4.102 2.562
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 2.532 4.243 1.909
2 H2 GLY 1 HT2 GLY 1 1.157 4.926 1.177
3 H3 GLY 1 HT3 GLY 1 2.659 4.954 0.369
4 HA2 GLY 1 HA1 GLY 1 0.705 2.808 0.600
5 HA3 GLY 1 HA2 GLY 1 1.849 3.158 -0.696
6 H GLU 2 HN GLU 2 1.522 0.564 0.226
7 HA GLU 2 HA GLU 2 3.585 -0.076 2.210
8 HB2 GLU 2 HB2 GLU 2 3.057 -2.463 1.507
9 HB3 GLU 2 HB1 GLU 2 1.695 -1.548 2.152
10 HG2 GLU 2 HG2 GLU 2 2.251 -1.679 -0.821
11 HG3 GLU 2 HG1 GLU 2 1.274 -2.897 -0.004
12 H CGU 3 HN GLA 3 3.508 0.417 -1.202
13 HA CGU 3 HA GLA 3 5.802 -1.264 -1.837
14 HB2 CGU 3 HB1 GLA 3 4.627 1.144 -3.313
15 HB3 CGU 3 HB2 GLA 3 4.205 -0.541 -3.640
16 HG CGU 3 HG GLA 3 6.977 0.688 -3.916
17 H CGU 4 HN GLA 4 5.343 2.114 -0.865
18 HA CGU 4 HA GLA 4 7.926 3.109 -1.392
19 HB2 CGU 4 HB1 GLA 4 7.460 4.636 0.569
20 HB3 CGU 4 HB2 GLA 4 5.975 3.723 0.836
21 HG CGU 4 HG GLA 4 6.393 4.607 -1.961
22 H LEU 5 HN LEU 5 6.749 1.854 1.763
23 HA LEU 5 HA LEU 5 9.222 1.830 3.080
24 HB2 LEU 5 HB2 LEU 5 8.245 0.288 4.626
25 HB3 LEU 5 HB1 LEU 5 6.992 1.416 4.130
26 HG LEU 5 HG LEU 5 6.493 -0.409 2.304
27 HD11 LEU 5 HD11 LEU 5 8.600 -1.624 3.706
28 HD12 LEU 5 HD12 LEU 5 7.537 -2.393 2.528
29 HD13 LEU 5 HD13 LEU 5 7.147 -2.462 4.245
30 HD21 LEU 5 HD21 LEU 5 4.871 -1.425 3.813
31 HD22 LEU 5 HD22 LEU 5 5.002 0.293 4.191
32 HD23 LEU 5 HD23 LEU 5 5.802 -0.899 5.216
33 H ALA 6 HN ALA 6 7.775 -0.751 1.137
34 HA ALA 6 HA ALA 6 9.802 -2.693 1.422
35 HB1 ALA 6 HB1 ALA 6 8.479 -2.186 -1.243
36 HB2 ALA 6 HB2 ALA 6 7.535 -2.785 0.122
37 HB3 ALA 6 HB3 ALA 6 8.894 -3.728 -0.491
38 H CGU 7 HN GLA 7 9.554 -0.104 -1.039
39 HA CGU 7 HA GLA 7 12.105 -0.636 -2.244
40 HB2 CGU 7 HB1 GLA 7 11.843 1.649 -3.184
41 HB3 CGU 7 HB2 GLA 7 10.468 1.923 -2.114
42 HG CGU 7 HG GLA 7 9.516 -0.286 -3.201
43 H LYS 8 HN LYS 8 11.055 1.811 0.137
44 HA LYS 8 HA LYS 8 13.581 3.005 0.627
45 HB2 LYS 8 HB2 LYS 8 11.160 2.603 2.393
46 HB3 LYS 8 HB1 LYS 8 12.562 3.552 2.891
47 HG2 LYS 8 HG2 LYS 8 12.205 5.191 1.248
48 HG3 LYS 8 HG1 LYS 8 11.231 4.112 0.247
49 HD2 LYS 8 HD2 LYS 8 9.424 4.170 1.927
50 HD3 LYS 8 HD1 LYS 8 10.396 5.238 2.941
51 HE2 LYS 8 HE2 LYS 8 10.436 6.913 1.097
52 HE3 LYS 8 HE1 LYS 8 9.392 5.856 0.143
53 HZ1 LYS 8 HZ1 LYS 8 8.257 6.163 2.690
54 HZ2 LYS 8 HZ2 LYS 8 7.628 6.687 1.189
55 HZ3 LYS 8 HZ3 LYS 8 8.645 7.707 2.107
56 H ALA 9 HN ALA 9 11.996 0.222 2.194
57 HA ALA 9 HA ALA 9 14.052 -0.314 4.103
58 HB1 ALA 9 HB1 ALA 9 12.291 -2.388 2.769
59 HB2 ALA 9 HB2 ALA 9 11.718 -1.313 4.045
60 HB3 ALA 9 HB3 ALA 9 13.013 -2.464 4.376
61 H CGU 10 HN GLA 10 13.569 -1.705 0.802
62 HA CGU 10 HA GLA 10 15.954 -3.291 0.969
63 HB2 CGU 10 HB1 GLA 10 14.259 -2.370 -1.370
64 HB3 CGU 10 HB2 GLA 10 14.382 -3.988 -0.678
65 HG CGU 10 HG GLA 10 16.815 -2.627 -1.734
66 H PHE 11 HN PHE 11 15.308 -0.049 -0.442
67 HA PHE 11 HA PHE 11 17.952 0.378 -1.464
68 HB2 PHE 11 HB2 PHE 11 16.510 1.970 -2.257
69 HB3 PHE 11 HB1 PHE 11 15.587 2.022 -0.776
70 HD1 PHE 11 HD1 PHE 11 16.957 3.082 1.326
71 HD2 PHE 11 HD2 PHE 11 17.793 3.806 -2.828
72 HE1 PHE 11 HE1 PHE 11 17.998 5.247 1.913
73 HE2 PHE 11 HE2 PHE 11 18.835 5.975 -2.235
74 HZ PHE 11 HZ PHE 11 18.939 6.694 0.136
75 H ALA 12 HN ALA 12 16.515 1.014 1.728
76 HA ALA 12 HA ALA 12 18.783 2.256 2.895
77 HB1 ALA 12 HB1 ALA 12 17.851 1.423 5.060
78 HB2 ALA 12 HB2 ALA 12 16.722 0.412 4.155
79 HB3 ALA 12 HB3 ALA 12 16.620 2.170 4.041
80 H ARG 13 HN ARG 13 17.978 -1.196 2.487
81 HA ARG 13 HA ARG 13 20.163 -2.260 3.995
82 HB2 ARG 13 HB2 ARG 13 18.117 -3.487 3.016
83 HB3 ARG 13 HB1 ARG 13 19.026 -3.553 1.511
84 HG2 ARG 13 HG2 ARG 13 20.164 -4.539 4.135
85 HG3 ARG 13 HG1 ARG 13 19.255 -5.586 3.049
86 HD2 ARG 13 HD2 ARG 13 21.288 -5.998 2.108
87 HD3 ARG 13 HD1 ARG 13 21.038 -4.446 1.307
88 HE ARG 13 HE ARG 13 22.570 -3.420 2.867
89 HH11 ARG 13 HH11 ARG 13 24.712 -5.016 2.696
90 HH12 ARG 13 HH12 ARG 13 24.798 -5.970 4.144
91 HH21 ARG 13 HH21 ARG 13 21.523 -5.423 5.043
92 HH22 ARG 13 HH22 ARG 13 23.008 -6.205 5.456
93 H CGU 14 HN GLA 14 19.911 -1.757 0.446
94 HA CGU 14 HA GLA 14 22.707 -2.323 0.009
95 HB2 CGU 14 HB1 GLA 14 22.206 -1.280 -2.258
96 HB3 CGU 14 HB2 GLA 14 20.569 -0.996 -1.679
97 HG CGU 14 HG GLA 14 21.650 -3.732 -1.271
98 H LEU 15 HN LEU 15 20.821 0.651 0.491
99 HA LEU 15 HA LEU 15 23.011 2.441 -0.111
100 HB2 LEU 15 HB2 LEU 15 20.416 2.758 1.400
101 HB3 LEU 15 HB1 LEU 15 21.545 4.087 1.171
102 HG LEU 15 HG LEU 15 19.550 3.499 -0.537
103 HD11 LEU 15 HD11 LEU 15 20.757 4.867 -2.188
104 HD12 LEU 15 HD12 LEU 15 22.235 4.647 -1.251
105 HD13 LEU 15 HD13 LEU 15 20.873 5.526 -0.557
106 HD21 LEU 15 HD21 LEU 15 20.461 1.358 -1.283
107 HD22 LEU 15 HD22 LEU 15 21.983 2.137 -1.705
108 HD23 LEU 15 HD23 LEU 15 20.517 2.529 -2.595
109 H ALA 16 HN ALA 16 21.623 1.284 3.001
110 HA ALA 16 HA ALA 16 23.601 2.575 4.640
111 HB1 ALA 16 HB1 ALA 16 22.883 1.023 6.394
112 HB2 ALA 16 HB2 ALA 16 22.103 -0.010 5.195
113 HB3 ALA 16 HB3 ALA 16 21.467 1.604 5.516
114 H ASN 17 HN ASN 17 23.571 -0.335 2.740
115 HA ASN 17 HA ASN 17 26.091 -1.350 3.901
116 HB2 ASN 17 HB2 ASN 17 24.326 -2.919 3.124
117 HB3 ASN 17 HB1 ASN 17 24.499 -2.296 1.487
118 HD21 ASN 17 HD21 ASN 17 27.596 -2.108 2.138
119 HD22 ASN 17 HD22 ASN 17 28.098 -3.722 1.899
120 H TYR 18 HN TYR 18 24.926 0.380 1.062
121 HA TYR 18 HA TYR 18 27.487 0.338 -0.327
122 HB2 TYR 18 HB2 TYR 18 25.603 0.623 -1.735
123 HB3 TYR 18 HB1 TYR 18 24.893 1.845 -0.682
124 HD1 TYR 18 HD1 TYR 18 28.040 1.249 -2.652
125 HD2 TYR 18 HD2 TYR 18 25.114 4.085 -1.292
126 HE1 TYR 18 HE1 TYR 18 29.165 3.038 -3.952
127 HE2 TYR 18 HE2 TYR 18 26.243 5.868 -2.593
128 HH TYR 18 HH TYR 18 28.060 5.525 -4.975
129 HN1 NH2 19 H1 NH2 19 25.699 2.932 1.490
130 HN2 NH2 19 H2 NH2 19 27.111 3.850 1.810
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 1.197 1.090 -1.373
2 H2 GLY 1 HT2 GLY 1 -0.138 2.032 -0.901
3 H3 GLY 1 HT3 GLY 1 0.364 0.719 0.058
4 HA2 GLY 1 HA1 GLY 1 1.912 3.228 -0.430
5 HA3 GLY 1 HA2 GLY 1 1.092 2.795 1.072
6 H GLU 2 HN GLU 2 1.668 0.151 1.294
7 HA GLU 2 HA GLU 2 4.041 -0.153 2.616
8 HB2 GLU 2 HB2 GLU 2 3.921 -2.555 2.003
9 HB3 GLU 2 HB1 GLU 2 2.333 -1.912 2.416
10 HG2 GLU 2 HG2 GLU 2 3.429 -2.542 -0.339
11 HG3 GLU 2 HG1 GLU 2 1.984 -3.190 0.427
12 H CGU 3 HN GLA 3 3.646 -0.484 -0.922
13 HA CGU 3 HA GLA 3 6.258 -1.309 -1.592
14 HB2 CGU 3 HB1 GLA 3 4.440 0.642 -3.084
15 HB3 CGU 3 HB2 GLA 3 4.434 -1.113 -3.300
16 HG CGU 3 HG GLA 3 6.801 0.727 -3.838
17 H CGU 4 HN GLA 4 5.113 1.946 -0.750
18 HA CGU 4 HA GLA 4 7.517 3.315 -1.527
19 HB2 CGU 4 HB1 GLA 4 6.633 4.918 0.416
20 HB3 CGU 4 HB2 GLA 4 5.187 3.920 0.254
21 HG CGU 4 HG GLA 4 5.231 4.378 -2.222
22 H LEU 5 HN LEU 5 6.563 1.560 1.376
23 HA LEU 5 HA LEU 5 8.955 2.362 2.861
24 HB2 LEU 5 HB2 LEU 5 6.718 0.382 3.343
25 HB3 LEU 5 HB1 LEU 5 8.128 0.464 4.400
26 HG LEU 5 HG LEU 5 7.580 3.054 4.410
27 HD11 LEU 5 HD11 LEU 5 4.905 1.772 3.782
28 HD12 LEU 5 HD12 LEU 5 5.758 2.952 2.784
29 HD13 LEU 5 HD13 LEU 5 5.122 3.425 4.358
30 HD21 LEU 5 HD21 LEU 5 6.480 2.747 6.490
31 HD22 LEU 5 HD22 LEU 5 7.486 1.311 6.303
32 HD23 LEU 5 HD23 LEU 5 5.755 1.226 5.974
33 H ALA 6 HN ALA 6 7.767 -0.550 1.179
34 HA ALA 6 HA ALA 6 9.968 -2.262 1.669
35 HB1 ALA 6 HB1 ALA 6 7.906 -2.026 -0.471
36 HB2 ALA 6 HB2 ALA 6 8.325 -3.410 0.537
37 HB3 ALA 6 HB3 ALA 6 9.332 -2.995 -0.849
38 H CGU 7 HN GLA 7 9.500 0.073 -1.005
39 HA CGU 7 HA GLA 7 11.967 -0.315 -2.330
40 HB2 CGU 7 HB1 GLA 7 11.681 2.117 -2.998
41 HB3 CGU 7 HB2 GLA 7 10.296 2.193 -1.911
42 HG CGU 7 HG GLA 7 9.439 0.090 -3.257
43 H LYS 8 HN LYS 8 11.154 2.016 0.254
44 HA LYS 8 HA LYS 8 13.795 3.007 0.680
45 HB2 LYS 8 HB2 LYS 8 11.385 2.777 2.493
46 HB3 LYS 8 HB1 LYS 8 12.884 3.565 2.992
47 HG2 LYS 8 HG2 LYS 8 12.646 5.304 1.457
48 HG3 LYS 8 HG1 LYS 8 11.614 4.354 0.389
49 HD2 LYS 8 HD2 LYS 8 9.918 4.389 2.372
50 HD3 LYS 8 HD1 LYS 8 10.891 5.731 2.973
51 HE2 LYS 8 HE2 LYS 8 8.981 6.501 1.570
52 HE3 LYS 8 HE1 LYS 8 10.543 6.964 0.888
53 HZ1 LYS 8 HZ1 LYS 8 8.756 5.852 -0.626
54 HZ2 LYS 8 HZ2 LYS 8 9.309 4.398 0.105
55 HZ3 LYS 8 HZ3 LYS 8 10.391 5.387 -0.764
56 H ALA 9 HN ALA 9 11.970 0.381 2.258
57 HA ALA 9 HA ALA 9 13.950 -0.453 4.100
58 HB1 ALA 9 HB1 ALA 9 12.650 -2.358 4.397
59 HB2 ALA 9 HB2 ALA 9 12.291 -2.507 2.677
60 HB3 ALA 9 HB3 ALA 9 11.472 -1.282 3.644
61 H CGU 10 HN GLA 10 13.519 -1.433 0.669
62 HA CGU 10 HA GLA 10 15.822 -3.196 0.815
63 HB2 CGU 10 HB1 GLA 10 14.105 -2.224 -1.484
64 HB3 CGU 10 HB2 GLA 10 14.173 -3.840 -0.780
65 HG CGU 10 HG GLA 10 16.614 -2.560 -1.936
66 H PHE 11 HN PHE 11 15.240 0.057 -0.620
67 HA PHE 11 HA PHE 11 17.914 0.380 -1.613
68 HB2 PHE 11 HB2 PHE 11 16.562 2.002 -2.493
69 HB3 PHE 11 HB1 PHE 11 15.589 2.127 -1.047
70 HD1 PHE 11 HD1 PHE 11 17.961 3.764 -3.051
71 HD2 PHE 11 HD2 PHE 11 16.923 3.177 1.078
72 HE1 PHE 11 HE1 PHE 11 19.069 5.900 -2.463
73 HE2 PHE 11 HE2 PHE 11 18.049 5.297 1.664
74 HZ PHE 11 HZ PHE 11 19.119 6.664 -0.105
75 H ALA 12 HN ALA 12 16.403 1.095 1.523
76 HA ALA 12 HA ALA 12 18.597 2.368 2.756
77 HB1 ALA 12 HB1 ALA 12 17.689 1.398 4.891
78 HB2 ALA 12 HB2 ALA 12 16.586 0.418 3.924
79 HB3 ALA 12 HB3 ALA 12 16.456 2.177 3.898
80 H ARG 13 HN ARG 13 17.994 -1.098 2.193
81 HA ARG 13 HA ARG 13 20.265 -2.004 3.734
82 HB2 ARG 13 HB2 ARG 13 18.547 -3.244 1.589
83 HB3 ARG 13 HB1 ARG 13 19.963 -4.090 2.215
84 HG2 ARG 13 HG2 ARG 13 19.077 -4.228 4.392
85 HG3 ARG 13 HG1 ARG 13 17.917 -2.930 4.102
86 HD2 ARG 13 HD2 ARG 13 17.715 -5.373 2.393
87 HD3 ARG 13 HD1 ARG 13 17.176 -5.498 4.069
88 HE ARG 13 HE ARG 13 16.067 -3.116 2.863
89 HH11 ARG 13 HH11 ARG 13 15.584 -5.263 0.781
90 HH12 ARG 13 HH12 ARG 13 14.040 -5.871 1.290
91 HH21 ARG 13 HH21 ARG 13 14.221 -4.454 4.424
92 HH22 ARG 13 HH22 ARG 13 13.273 -5.420 3.348
93 H CGU 14 HN GLA 14 19.878 -1.995 0.153
94 HA CGU 14 HA GLA 14 22.626 -2.393 -0.416
95 HB2 CGU 14 HB1 GLA 14 22.034 -1.338 -2.647
96 HB3 CGU 14 HB2 GLA 14 20.433 -1.014 -1.990
97 HG CGU 14 HG GLA 14 21.488 -3.798 -1.707
98 H LEU 15 HN LEU 15 20.907 0.426 0.623
99 HA LEU 15 HA LEU 15 23.062 2.277 -0.157
100 HB2 LEU 15 HB2 LEU 15 20.430 2.609 1.283
101 HB3 LEU 15 HB1 LEU 15 21.573 3.929 1.088
102 HG LEU 15 HG LEU 15 19.623 3.389 -0.671
103 HD11 LEU 15 HD11 LEU 15 20.896 4.721 -2.288
104 HD12 LEU 15 HD12 LEU 15 22.362 4.428 -1.353
105 HD13 LEU 15 HD13 LEU 15 21.042 5.366 -0.654
106 HD21 LEU 15 HD21 LEU 15 20.566 2.346 -2.680
107 HD22 LEU 15 HD22 LEU 15 20.534 1.205 -1.343
108 HD23 LEU 15 HD23 LEU 15 22.046 1.984 -1.801
109 H ALA 16 HN ALA 16 21.641 1.006 2.877
110 HA ALA 16 HA ALA 16 23.396 2.412 4.640
111 HB1 ALA 16 HB1 ALA 16 21.349 1.360 5.447
112 HB2 ALA 16 HB2 ALA 16 22.735 0.699 6.317
113 HB3 ALA 16 HB3 ALA 16 21.977 -0.235 5.028
114 H ASN 17 HN ASN 17 23.819 -0.733 3.008
115 HA ASN 17 HA ASN 17 26.103 -1.555 4.517
116 HB2 ASN 17 HB2 ASN 17 26.676 -2.938 2.477
117 HB3 ASN 17 HB1 ASN 17 25.056 -3.184 3.113
118 HD21 ASN 17 HD21 ASN 17 26.034 -0.353 1.157
119 HD22 ASN 17 HD22 ASN 17 25.012 -0.728 -0.157
120 H TYR 18 HN TYR 18 25.833 1.128 2.467
121 HA TYR 18 HA TYR 18 28.591 1.056 1.487
122 HB2 TYR 18 HB2 TYR 18 26.366 3.105 1.421
123 HB3 TYR 18 HB1 TYR 18 27.997 3.513 0.902
124 HD1 TYR 18 HD1 TYR 18 28.963 1.144 -0.453
125 HD2 TYR 18 HD2 TYR 18 25.021 2.857 -0.509
126 HE1 TYR 18 HE1 TYR 18 28.541 0.106 -2.659
127 HE2 TYR 18 HE2 TYR 18 24.608 1.807 -2.721
128 HH TYR 18 HH TYR 18 26.921 0.737 -4.691
129 HN1 NH2 19 H1 NH2 19 28.448 0.778 4.354
130 HN2 NH2 19 H2 NH2 19 29.196 2.158 5.041
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 3.201 4.447 1.586
2 H2 GLY 1 HT2 GLY 1 1.631 5.104 1.544
3 H3 GLY 1 HT3 GLY 1 2.611 5.130 0.146
4 HA2 GLY 1 HA1 GLY 1 0.852 3.088 1.065
5 HA3 GLY 1 HA2 GLY 1 1.706 3.207 -0.474
6 H GLU 2 HN GLU 2 1.569 0.702 0.509
7 HA GLU 2 HA GLU 2 3.631 -0.018 2.379
8 HB2 GLU 2 HB2 GLU 2 1.697 -1.463 1.841
9 HB3 GLU 2 HB1 GLU 2 2.329 -1.687 0.208
10 HG2 GLU 2 HG2 GLU 2 4.429 -2.632 1.215
11 HG3 GLU 2 HG1 GLU 2 3.656 -2.540 2.798
12 H CGU 3 HN GLA 3 3.538 -0.429 -1.183
13 HA CGU 3 HA GLA 3 6.133 -1.372 -1.607
14 HB2 CGU 3 HB1 GLA 3 4.586 0.656 -3.292
15 HB3 CGU 3 HB2 GLA 3 4.454 -1.097 -3.457
16 HG CGU 3 HG GLA 3 6.970 0.556 -3.918
17 H CGU 4 HN GLA 4 5.122 1.908 -0.844
18 HA CGU 4 HA GLA 4 7.554 3.263 -1.465
19 HB2 CGU 4 HB1 GLA 4 6.585 4.633 0.703
20 HB3 CGU 4 HB2 GLA 4 5.139 3.781 0.153
21 HG CGU 4 HG GLA 4 5.729 4.615 -2.201
22 H LEU 5 HN LEU 5 6.609 1.258 1.257
23 HA LEU 5 HA LEU 5 8.980 2.010 2.825
24 HB2 LEU 5 HB2 LEU 5 6.700 0.062 3.209
25 HB3 LEU 5 HB1 LEU 5 8.108 0.063 4.273
26 HG LEU 5 HG LEU 5 7.613 2.672 4.363
27 HD11 LEU 5 HD11 LEU 5 5.778 2.898 2.910
28 HD12 LEU 5 HD12 LEU 5 5.025 2.851 4.505
29 HD13 LEU 5 HD13 LEU 5 5.021 1.408 3.487
30 HD21 LEU 5 HD21 LEU 5 6.293 0.426 5.878
31 HD22 LEU 5 HD22 LEU 5 5.998 2.108 6.318
32 HD23 LEU 5 HD23 LEU 5 7.635 1.455 6.382
33 H ALA 6 HN ALA 6 7.766 -0.808 1.017
34 HA ALA 6 HA ALA 6 9.907 -2.588 1.488
35 HB1 ALA 6 HB1 ALA 6 8.360 -2.229 -1.101
36 HB2 ALA 6 HB2 ALA 6 7.830 -3.205 0.269
37 HB3 ALA 6 HB3 ALA 6 9.274 -3.662 -0.633
38 H CGU 7 HN GLA 7 9.561 -0.188 -1.143
39 HA CGU 7 HA GLA 7 12.090 -0.629 -2.356
40 HB2 CGU 7 HB1 GLA 7 11.815 1.741 -3.165
41 HB3 CGU 7 HB2 GLA 7 10.402 1.890 -2.117
42 HG CGU 7 HG GLA 7 9.552 -0.271 -3.346
43 H LYS 8 HN LYS 8 11.109 1.706 0.159
44 HA LYS 8 HA LYS 8 13.696 2.811 0.650
45 HB2 LYS 8 HB2 LYS 8 11.069 2.805 1.938
46 HB3 LYS 8 HB1 LYS 8 12.393 2.851 3.099
47 HG2 LYS 8 HG2 LYS 8 11.739 5.136 2.457
48 HG3 LYS 8 HG1 LYS 8 13.375 4.784 1.906
49 HD2 LYS 8 HD2 LYS 8 12.773 5.224 -0.222
50 HD3 LYS 8 HD1 LYS 8 11.538 3.966 -0.148
51 HE2 LYS 8 HE2 LYS 8 11.146 6.772 0.924
52 HE3 LYS 8 HE1 LYS 8 10.656 6.265 -0.694
53 HZ1 LYS 8 HZ1 LYS 8 9.563 4.321 0.769
54 HZ2 LYS 8 HZ2 LYS 8 8.745 5.772 0.355
55 HZ3 LYS 8 HZ3 LYS 8 9.487 5.608 1.887
56 H ALA 9 HN ALA 9 11.953 0.103 2.159
57 HA ALA 9 HA ALA 9 13.897 -0.640 4.074
58 HB1 ALA 9 HB1 ALA 9 11.578 -1.592 3.862
59 HB2 ALA 9 HB2 ALA 9 12.826 -2.819 4.079
60 HB3 ALA 9 HB3 ALA 9 12.141 -2.531 2.480
61 H CGU 10 HN GLA 10 13.573 -1.784 0.675
62 HA CGU 10 HA GLA 10 15.966 -3.386 0.868
63 HB2 CGU 10 HB1 GLA 10 14.253 -2.469 -1.453
64 HB3 CGU 10 HB2 GLA 10 14.431 -4.096 -0.795
65 HG CGU 10 HG GLA 10 16.806 -2.632 -1.863
66 H PHE 11 HN PHE 11 15.298 -0.139 -0.566
67 HA PHE 11 HA PHE 11 17.982 0.292 -1.493
68 HB2 PHE 11 HB2 PHE 11 16.594 1.867 -2.393
69 HB3 PHE 11 HB1 PHE 11 15.588 1.954 -0.967
70 HD1 PHE 11 HD1 PHE 11 16.900 3.027 1.199
71 HD2 PHE 11 HD2 PHE 11 17.885 3.710 -2.931
72 HE1 PHE 11 HE1 PHE 11 17.925 5.193 1.802
73 HE2 PHE 11 HE2 PHE 11 18.907 5.881 -2.321
74 HZ PHE 11 HZ PHE 11 18.931 6.622 0.045
75 H ALA 12 HN ALA 12 16.395 0.886 1.620
76 HA ALA 12 HA ALA 12 18.492 2.274 2.893
77 HB1 ALA 12 HB1 ALA 12 16.515 0.248 3.976
78 HB2 ALA 12 HB2 ALA 12 16.391 2.006 4.035
79 HB3 ALA 12 HB3 ALA 12 17.603 1.175 5.008
80 H ARG 13 HN ARG 13 18.120 -1.232 2.310
81 HA ARG 13 HA ARG 13 20.436 -1.961 3.893
82 HB2 ARG 13 HB2 ARG 13 18.549 -3.509 3.164
83 HB3 ARG 13 HB1 ARG 13 19.302 -3.537 1.572
84 HG2 ARG 13 HG2 ARG 13 21.149 -4.027 3.834
85 HG3 ARG 13 HG1 ARG 13 19.932 -5.277 3.583
86 HD2 ARG 13 HD2 ARG 13 20.601 -5.466 1.216
87 HD3 ARG 13 HD1 ARG 13 21.813 -4.206 1.454
88 HE ARG 13 HE ARG 13 22.014 -6.991 2.390
89 HH11 ARG 13 HH11 ARG 13 24.366 -5.991 1.192
90 HH12 ARG 13 HH12 ARG 13 25.335 -5.406 2.517
91 HH21 ARG 13 HH21 ARG 13 22.702 -5.278 4.710
92 HH22 ARG 13 HH22 ARG 13 24.398 -5.017 4.479
93 H CGU 14 HN GLA 14 20.084 -2.022 0.297
94 HA CGU 14 HA GLA 14 22.837 -2.289 -0.270
95 HB2 CGU 14 HB1 GLA 14 22.223 -1.142 -2.460
96 HB3 CGU 14 HB2 GLA 14 20.607 -0.919 -1.800
97 HG CGU 14 HG GLA 14 21.786 -3.663 -1.659
98 H LEU 15 HN LEU 15 20.935 0.538 0.579
99 HA LEU 15 HA LEU 15 23.070 2.440 -0.027
100 HB2 LEU 15 HB2 LEU 15 20.423 2.657 1.413
101 HB3 LEU 15 HB1 LEU 15 21.522 4.017 1.228
102 HG LEU 15 HG LEU 15 19.582 3.429 -0.526
103 HD11 LEU 15 HD11 LEU 15 20.791 4.828 -2.132
104 HD12 LEU 15 HD12 LEU 15 22.275 4.578 -1.215
105 HD13 LEU 15 HD13 LEU 15 20.929 5.457 -0.491
106 HD21 LEU 15 HD21 LEU 15 22.046 2.114 -1.679
107 HD22 LEU 15 HD22 LEU 15 20.557 2.450 -2.556
108 HD23 LEU 15 HD23 LEU 15 20.552 1.288 -1.236
109 H ALA 16 HN ALA 16 21.528 1.318 3.028
110 HA ALA 16 HA ALA 16 23.394 2.577 4.771
111 HB1 ALA 16 HB1 ALA 16 22.641 0.942 6.455
112 HB2 ALA 16 HB2 ALA 16 21.926 -0.052 5.185
113 HB3 ALA 16 HB3 ALA 16 21.264 1.546 5.532
114 H ASN 17 HN ASN 17 23.598 -0.369 2.886
115 HA ASN 17 HA ASN 17 26.144 -1.152 4.215
116 HB2 ASN 17 HB2 ASN 17 24.324 -2.831 3.479
117 HB3 ASN 17 HB1 ASN 17 24.858 -2.511 1.829
118 HD21 ASN 17 HD21 ASN 17 27.722 -2.243 2.481
119 HD22 ASN 17 HD22 ASN 17 28.261 -3.804 2.930
120 H TYR 18 HN TYR 18 25.201 0.970 1.851
121 HA TYR 18 HA TYR 18 27.091 0.506 -0.240
122 HB2 TYR 18 HB2 TYR 18 25.073 2.112 -0.201
123 HB3 TYR 18 HB1 TYR 18 26.140 3.244 0.624
124 HD1 TYR 18 HD1 TYR 18 25.803 1.175 -2.466
125 HD2 TYR 18 HD2 TYR 18 27.738 4.525 -0.595
126 HE1 TYR 18 HE1 TYR 18 26.806 1.813 -4.639
127 HE2 TYR 18 HE2 TYR 18 28.740 5.153 -2.774
128 HH TYR 18 HH TYR 18 27.986 4.698 -5.326
129 HN1 NH2 19 H1 NH2 19 27.382 2.436 2.779
130 HN2 NH2 19 H2 NH2 19 29.075 2.665 2.647
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 0.841 0.870 -0.482
2 H2 GLY 1 HT2 GLY 1 1.729 1.718 -1.666
3 H3 GLY 1 HT3 GLY 1 0.390 2.455 -0.919
4 HA2 GLY 1 HA1 GLY 1 2.544 3.292 -0.059
5 HA3 GLY 1 HA2 GLY 1 1.530 2.556 1.186
6 H GLU 2 HN GLU 2 1.853 -0.078 0.820
7 HA GLU 2 HA GLU 2 4.100 -0.928 2.137
8 HB2 GLU 2 HB2 GLU 2 3.762 -3.118 1.003
9 HB3 GLU 2 HB1 GLU 2 2.241 -2.405 1.530
10 HG2 GLU 2 HG2 GLU 2 3.341 -2.622 -1.279
11 HG3 GLU 2 HG1 GLU 2 1.776 -3.144 -0.672
12 H CGU 3 HN GLA 3 3.875 -0.654 -1.430
13 HA CGU 3 HA GLA 3 6.548 -1.470 -1.986
14 HB2 CGU 3 HB1 GLA 3 4.771 0.513 -3.488
15 HB3 CGU 3 HB2 GLA 3 4.825 -1.227 -3.794
16 HG CGU 3 HG GLA 3 7.150 0.709 -4.097
17 H CGU 4 HN GLA 4 5.223 1.744 -1.225
18 HA CGU 4 HA GLA 4 7.643 3.208 -1.631
19 HB2 CGU 4 HB1 GLA 4 6.188 4.300 0.600
20 HB3 CGU 4 HB2 GLA 4 5.029 3.740 -0.611
21 HG CGU 4 HG GLA 4 6.259 5.021 -2.351
22 H LEU 5 HN LEU 5 6.292 1.628 1.272
23 HA LEU 5 HA LEU 5 8.544 2.227 2.964
24 HB2 LEU 5 HB2 LEU 5 6.321 0.185 3.035
25 HB3 LEU 5 HB1 LEU 5 7.638 0.114 4.205
26 HG LEU 5 HG LEU 5 7.096 2.685 4.515
27 HD11 LEU 5 HD11 LEU 5 5.413 3.201 3.025
28 HD12 LEU 5 HD12 LEU 5 4.426 2.697 4.396
29 HD13 LEU 5 HD13 LEU 5 4.728 1.577 3.069
30 HD21 LEU 5 HD21 LEU 5 6.890 0.925 6.249
31 HD22 LEU 5 HD22 LEU 5 5.302 0.498 5.611
32 HD23 LEU 5 HD23 LEU 5 5.562 2.083 6.341
33 H ALA 6 HN ALA 6 7.635 -0.622 1.016
34 HA ALA 6 HA ALA 6 9.870 -2.260 1.568
35 HB1 ALA 6 HB1 ALA 6 9.423 -3.312 -0.612
36 HB2 ALA 6 HB2 ALA 6 8.439 -1.927 -1.090
37 HB3 ALA 6 HB3 ALA 6 7.906 -2.975 0.224
38 H CGU 7 HN GLA 7 9.506 0.191 -1.026
39 HA CGU 7 HA GLA 7 12.124 -0.044 -2.105
40 HB2 CGU 7 HB1 GLA 7 11.749 2.353 -2.824
41 HB3 CGU 7 HB2 GLA 7 10.255 2.343 -1.888
42 HG CGU 7 HG GLA 7 9.700 0.174 -3.300
43 H LYS 8 HN LYS 8 10.922 2.373 0.261
44 HA LYS 8 HA LYS 8 13.432 3.502 0.929
45 HB2 LYS 8 HB2 LYS 8 11.026 3.130 2.736
46 HB3 LYS 8 HB1 LYS 8 12.331 4.294 2.969
47 HG2 LYS 8 HG2 LYS 8 10.596 4.239 0.486
48 HG3 LYS 8 HG1 LYS 8 10.232 5.238 1.893
49 HD2 LYS 8 HD2 LYS 8 12.064 6.617 1.558
50 HD3 LYS 8 HD1 LYS 8 12.984 5.380 0.711
51 HE2 LYS 8 HE2 LYS 8 12.241 7.118 -0.860
52 HE3 LYS 8 HE1 LYS 8 11.461 5.579 -1.229
53 HZ1 LYS 8 HZ1 LYS 8 9.556 6.354 0.174
54 HZ2 LYS 8 HZ2 LYS 8 9.784 7.227 -1.269
55 HZ3 LYS 8 HZ3 LYS 8 10.289 7.892 0.216
56 H ALA 9 HN ALA 9 11.690 0.765 2.413
57 HA ALA 9 HA ALA 9 13.635 0.261 4.460
58 HB1 ALA 9 HB1 ALA 9 12.434 -1.716 4.884
59 HB2 ALA 9 HB2 ALA 9 11.980 -1.914 3.190
60 HB3 ALA 9 HB3 ALA 9 11.216 -0.662 4.168
61 H CGU 10 HN GLA 10 13.374 -0.932 1.104
62 HA CGU 10 HA GLA 10 15.643 -2.722 1.472
63 HB2 CGU 10 HB1 GLA 10 13.960 -1.906 -0.897
64 HB3 CGU 10 HB2 GLA 10 13.985 -3.459 -0.062
65 HG CGU 10 HG GLA 10 16.342 -2.292 -1.534
66 H PHE 11 HN PHE 11 15.113 0.482 -0.026
67 HA PHE 11 HA PHE 11 17.658 0.770 -1.262
68 HB2 PHE 11 HB2 PHE 11 16.504 2.622 -1.830
69 HB3 PHE 11 HB1 PHE 11 15.493 2.521 -0.407
70 HD1 PHE 11 HD1 PHE 11 16.706 3.201 1.876
71 HD2 PHE 11 HD2 PHE 11 18.000 4.391 -2.040
72 HE1 PHE 11 HE1 PHE 11 17.856 5.161 2.860
73 HE2 PHE 11 HE2 PHE 11 19.145 6.359 -1.054
74 HZ PHE 11 HZ PHE 11 19.081 6.740 1.393
75 H ALA 12 HN ALA 12 16.606 1.276 2.062
76 HA ALA 12 HA ALA 12 19.081 2.227 3.108
77 HB1 ALA 12 HB1 ALA 12 18.121 0.893 5.222
78 HB2 ALA 12 HB2 ALA 12 16.666 0.854 4.226
79 HB3 ALA 12 HB3 ALA 12 17.383 2.399 4.679
80 H ARG 13 HN ARG 13 17.798 -1.081 2.674
81 HA ARG 13 HA ARG 13 20.069 -2.421 3.798
82 HB2 ARG 13 HB2 ARG 13 17.872 -3.208 1.904
83 HB3 ARG 13 HB1 ARG 13 19.232 -4.302 2.153
84 HG2 ARG 13 HG2 ARG 13 18.823 -4.352 4.550
85 HG3 ARG 13 HG1 ARG 13 17.560 -3.130 4.396
86 HD2 ARG 13 HD2 ARG 13 17.170 -5.471 2.648
87 HD3 ARG 13 HD1 ARG 13 17.120 -5.849 4.372
88 HE ARG 13 HE ARG 13 15.087 -4.399 2.915
89 HH11 ARG 13 HH11 ARG 13 15.328 -2.154 4.418
90 HH12 ARG 13 HH12 ARG 13 14.690 -2.525 5.995
91 HH21 ARG 13 HH21 ARG 13 14.883 -5.938 5.542
92 HH22 ARG 13 HH22 ARG 13 14.437 -4.666 6.625
93 H CGU 14 HN GLA 14 19.283 -1.718 0.362
94 HA CGU 14 HA GLA 14 21.793 -2.710 -0.612
95 HB2 CGU 14 HB1 GLA 14 21.196 -1.621 -2.710
96 HB3 CGU 14 HB2 GLA 14 19.954 -0.665 -1.916
97 HG CGU 14 HG GLA 14 19.063 -3.063 -1.159
98 H LEU 15 HN LEU 15 20.704 0.631 0.197
99 HA LEU 15 HA LEU 15 23.290 1.721 -0.535
100 HB2 LEU 15 HB2 LEU 15 20.770 2.796 0.723
101 HB3 LEU 15 HB1 LEU 15 22.236 3.774 0.725
102 HG LEU 15 HG LEU 15 22.338 3.155 -1.824
103 HD11 LEU 15 HD11 LEU 15 20.026 2.929 -2.772
104 HD12 LEU 15 HD12 LEU 15 19.442 2.645 -1.134
105 HD13 LEU 15 HD13 LEU 15 20.572 1.514 -1.874
106 HD21 LEU 15 HD21 LEU 15 20.877 5.213 -0.336
107 HD22 LEU 15 HD22 LEU 15 20.298 4.990 -1.988
108 HD23 LEU 15 HD23 LEU 15 21.989 5.382 -1.693
109 H ALA 16 HN ALA 16 21.850 0.545 2.476
110 HA ALA 16 HA ALA 16 24.061 1.622 4.088
111 HB1 ALA 16 HB1 ALA 16 21.753 1.151 5.020
112 HB2 ALA 16 HB2 ALA 16 23.070 0.420 5.938
113 HB3 ALA 16 HB3 ALA 16 22.103 -0.570 4.845
114 H ASN 17 HN ASN 17 23.303 -1.310 2.326
115 HA ASN 17 HA ASN 17 25.371 -2.950 3.527
116 HB2 ASN 17 HB2 ASN 17 23.512 -4.003 2.328
117 HB3 ASN 17 HB1 ASN 17 23.973 -3.184 0.838
118 HD21 ASN 17 HD21 ASN 17 26.894 -3.941 2.234
119 HD22 ASN 17 HD22 ASN 17 27.135 -5.480 1.539
120 H TYR 18 HN TYR 18 25.292 -0.735 0.734
121 HA TYR 18 HA TYR 18 27.995 -1.416 -0.110
122 HB2 TYR 18 HB2 TYR 18 26.419 1.096 -0.744
123 HB3 TYR 18 HB1 TYR 18 27.763 0.426 -1.654
124 HD1 TYR 18 HD1 TYR 18 26.830 -2.546 -1.393
125 HD2 TYR 18 HD2 TYR 18 24.823 1.074 -2.561
126 HE1 TYR 18 HE1 TYR 18 25.226 -3.864 -2.752
127 HE2 TYR 18 HE2 TYR 18 23.225 -0.253 -3.914
128 HH TYR 18 HH TYR 18 22.564 -3.250 -3.570
129 HN1 NH2 19 H1 NH2 19 27.587 -0.557 2.777
130 HN2 NH2 19 H2 NH2 19 28.622 0.788 2.987
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 2.899 3.562 -0.332
2 H2 GLY 1 HT2 GLY 1 3.048 4.013 1.303
3 H3 GLY 1 HT3 GLY 1 1.595 4.298 0.471
4 HA2 GLY 1 HA1 GLY 1 1.319 2.395 1.905
5 HA3 GLY 1 HA2 GLY 1 1.272 1.890 0.216
6 H GLU 2 HN GLU 2 2.050 -0.236 0.689
7 HA GLU 2 HA GLU 2 4.420 -0.741 2.239
8 HB2 GLU 2 HB2 GLU 2 2.677 -2.449 1.774
9 HB3 GLU 2 HB1 GLU 2 3.164 -2.457 0.079
10 HG2 GLU 2 HG2 GLU 2 5.468 -3.117 0.779
11 HG3 GLU 2 HG1 GLU 2 4.907 -3.202 2.449
12 H CGU 3 HN GLA 3 3.954 -0.883 -1.326
13 HA CGU 3 HA GLA 3 6.588 -1.366 -2.091
14 HB2 CGU 3 HB1 GLA 3 4.674 0.609 -3.425
15 HB3 CGU 3 HB2 GLA 3 4.696 -1.129 -3.749
16 HG CGU 3 HG GLA 3 7.006 0.798 -4.192
17 H CGU 4 HN GLA 4 5.179 1.820 -1.301
18 HA CGU 4 HA GLA 4 7.482 3.384 -1.796
19 HB2 CGU 4 HB1 GLA 4 6.466 4.921 -0.030
20 HB3 CGU 4 HB2 GLA 4 5.224 3.685 0.191
21 HG CGU 4 HG GLA 4 5.869 4.914 -2.532
22 H LEU 5 HN LEU 5 6.399 2.073 1.387
23 HA LEU 5 HA LEU 5 8.890 2.721 2.658
24 HB2 LEU 5 HB2 LEU 5 8.097 1.495 4.517
25 HB3 LEU 5 HB1 LEU 5 6.696 2.306 3.839
26 HG LEU 5 HG LEU 5 6.375 0.071 2.539
27 HD11 LEU 5 HD11 LEU 5 7.437 -1.429 4.766
28 HD12 LEU 5 HD12 LEU 5 8.723 -0.511 3.988
29 HD13 LEU 5 HD13 LEU 5 7.749 -1.640 3.045
30 HD21 LEU 5 HD21 LEU 5 4.791 0.783 4.203
31 HD22 LEU 5 HD22 LEU 5 5.916 0.406 5.507
32 HD23 LEU 5 HD23 LEU 5 5.196 -0.895 4.560
33 H ALA 6 HN ALA 6 7.642 -0.221 1.159
34 HA ALA 6 HA ALA 6 9.801 -1.962 1.745
35 HB1 ALA 6 HB1 ALA 6 7.540 -2.078 0.099
36 HB2 ALA 6 HB2 ALA 6 8.703 -3.372 0.355
37 HB3 ALA 6 HB3 ALA 6 8.892 -2.277 -1.013
38 H CGU 7 HN GLA 7 9.412 0.209 -1.100
39 HA CGU 7 HA GLA 7 11.920 -0.258 -2.320
40 HB2 CGU 7 HB1 GLA 7 11.697 2.198 -3.043
41 HB3 CGU 7 HB2 GLA 7 10.224 2.253 -2.080
42 HG CGU 7 HG GLA 7 9.545 0.114 -3.494
43 H LYS 8 HN LYS 8 11.038 2.120 0.190
44 HA LYS 8 HA LYS 8 13.678 3.143 0.612
45 HB2 LYS 8 HB2 LYS 8 11.443 4.097 1.423
46 HB3 LYS 8 HB1 LYS 8 11.544 2.922 2.732
47 HG2 LYS 8 HG2 LYS 8 12.776 4.461 3.844
48 HG3 LYS 8 HG1 LYS 8 14.074 4.084 2.711
49 HD2 LYS 8 HD2 LYS 8 11.932 6.117 2.045
50 HD3 LYS 8 HD1 LYS 8 13.389 6.569 2.931
51 HE2 LYS 8 HE2 LYS 8 13.498 5.094 0.291
52 HE3 LYS 8 HE1 LYS 8 13.471 6.856 0.384
53 HZ1 LYS 8 HZ1 LYS 8 15.708 5.369 0.497
54 HZ2 LYS 8 HZ2 LYS 8 15.372 5.575 2.151
55 HZ3 LYS 8 HZ3 LYS 8 15.567 6.931 1.146
56 H ALA 9 HN ALA 9 11.823 0.567 2.216
57 HA ALA 9 HA ALA 9 13.786 -0.191 4.132
58 HB1 ALA 9 HB1 ALA 9 12.036 -2.243 2.801
59 HB2 ALA 9 HB2 ALA 9 11.296 -0.976 3.777
60 HB3 ALA 9 HB3 ALA 9 12.460 -2.080 4.506
61 H CGU 10 HN GLA 10 13.354 -1.202 0.728
62 HA CGU 10 HA GLA 10 15.560 -3.089 0.921
63 HB2 CGU 10 HB1 GLA 10 13.889 -2.062 -1.381
64 HB3 CGU 10 HB2 GLA 10 13.948 -3.690 -0.705
65 HG CGU 10 HG GLA 10 16.385 -2.400 -1.872
66 H PHE 11 HN PHE 11 15.143 0.178 -0.520
67 HA PHE 11 HA PHE 11 17.838 0.396 -1.492
68 HB2 PHE 11 HB2 PHE 11 16.606 2.098 -2.370
69 HB3 PHE 11 HB1 PHE 11 15.559 2.198 -0.976
70 HD1 PHE 11 HD1 PHE 11 17.968 3.903 -2.823
71 HD2 PHE 11 HD2 PHE 11 16.873 3.125 1.260
72 HE1 PHE 11 HE1 PHE 11 19.076 6.006 -2.118
73 HE2 PHE 11 HE2 PHE 11 18.001 5.208 1.963
74 HZ PHE 11 HZ PHE 11 19.099 6.654 0.276
75 H ALA 12 HN ALA 12 16.346 1.107 1.648
76 HA ALA 12 HA ALA 12 18.592 2.288 2.899
77 HB1 ALA 12 HB1 ALA 12 16.412 2.199 3.999
78 HB2 ALA 12 HB2 ALA 12 17.608 1.405 5.024
79 HB3 ALA 12 HB3 ALA 12 16.487 0.438 4.065
80 H ARG 13 HN ARG 13 17.811 -1.148 2.340
81 HA ARG 13 HA ARG 13 20.015 -2.172 3.899
82 HB2 ARG 13 HB2 ARG 13 18.310 -3.314 1.685
83 HB3 ARG 13 HB1 ARG 13 19.650 -4.230 2.376
84 HG2 ARG 13 HG2 ARG 13 18.655 -4.321 4.507
85 HG3 ARG 13 HG1 ARG 13 17.580 -2.965 4.165
86 HD2 ARG 13 HD2 ARG 13 17.313 -5.357 2.411
87 HD3 ARG 13 HD1 ARG 13 16.743 -5.522 4.075
88 HE ARG 13 HE ARG 13 15.737 -3.056 2.971
89 HH11 ARG 13 HH11 ARG 13 13.766 -4.366 4.352
90 HH12 ARG 13 HH12 ARG 13 12.840 -5.253 3.193
91 HH21 ARG 13 HH21 ARG 13 15.300 -5.111 0.766
92 HH22 ARG 13 HH22 ARG 13 13.708 -5.679 1.168
93 H CGU 14 HN GLA 14 19.697 -2.106 0.312
94 HA CGU 14 HA GLA 14 22.435 -2.606 -0.198
95 HB2 CGU 14 HB1 GLA 14 21.950 -1.514 -2.431
96 HB3 CGU 14 HB2 GLA 14 20.354 -1.104 -1.817
97 HG CGU 14 HG GLA 14 21.268 -3.943 -1.550
98 H LEU 15 HN LEU 15 20.705 0.422 0.438
99 HA LEU 15 HA LEU 15 22.978 2.125 -0.110
100 HB2 LEU 15 HB2 LEU 15 20.413 2.523 1.432
101 HB3 LEU 15 HB1 LEU 15 21.617 3.793 1.245
102 HG LEU 15 HG LEU 15 19.585 3.404 -0.470
103 HD11 LEU 15 HD11 LEU 15 20.917 4.713 -2.103
104 HD12 LEU 15 HD12 LEU 15 22.345 4.402 -1.118
105 HD13 LEU 15 HD13 LEU 15 21.009 5.343 -0.459
106 HD21 LEU 15 HD21 LEU 15 20.462 2.428 -2.563
107 HD22 LEU 15 HD22 LEU 15 20.357 1.225 -1.286
108 HD23 LEU 15 HD23 LEU 15 21.916 1.927 -1.708
109 H ALA 16 HN ALA 16 21.569 0.753 2.886
110 HA ALA 16 HA ALA 16 23.450 1.877 4.703
111 HB1 ALA 16 HB1 ALA 16 21.452 0.680 5.489
112 HB2 ALA 16 HB2 ALA 16 22.899 -0.071 6.162
113 HB3 ALA 16 HB3 ALA 16 22.064 -0.826 4.804
114 H ASN 17 HN ASN 17 23.605 -1.048 2.676
115 HA ASN 17 HA ASN 17 26.300 -1.702 3.680
116 HB2 ASN 17 HB2 ASN 17 24.696 -3.480 2.824
117 HB3 ASN 17 HB1 ASN 17 24.950 -2.833 1.203
118 HD21 ASN 17 HD21 ASN 17 27.881 -2.199 1.952
119 HD22 ASN 17 HD22 ASN 17 28.649 -3.723 1.877
120 H TYR 18 HN TYR 18 24.853 -0.097 0.870
121 HA TYR 18 HA TYR 18 27.301 0.201 -0.622
122 HB2 TYR 18 HB2 TYR 18 25.087 0.547 -1.658
123 HB3 TYR 18 HB1 TYR 18 24.809 1.934 -0.605
124 HD1 TYR 18 HD1 TYR 18 26.031 4.035 -0.917
125 HD2 TYR 18 HD2 TYR 18 26.701 0.673 -3.503
126 HE1 TYR 18 HE1 TYR 18 27.229 5.502 -2.518
127 HE2 TYR 18 HE2 TYR 18 27.896 2.144 -5.102
128 HH TYR 18 HH TYR 18 29.245 4.706 -4.569
129 HN1 NH2 19 H1 NH2 19 25.637 2.390 1.728
130 HN2 NH2 19 H2 NH2 19 27.018 3.372 1.999
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 0.985 4.406 0.588
2 H2 GLY 1 HT2 GLY 1 2.370 4.142 -0.365
3 H3 GLY 1 HT3 GLY 1 2.442 3.937 1.324
4 HA2 GLY 1 HA1 GLY 1 0.595 2.182 0.928
5 HA3 GLY 1 HA2 GLY 1 1.228 2.201 -0.718
6 H GLU 2 HN GLU 2 1.466 -0.108 0.727
7 HA GLU 2 HA GLU 2 3.707 -0.532 2.353
8 HB2 GLU 2 HB2 GLU 2 2.122 -2.305 1.927
9 HB3 GLU 2 HB1 GLU 2 2.496 -2.293 0.205
10 HG2 GLU 2 HG2 GLU 2 4.681 -2.809 2.216
11 HG3 GLU 2 HG1 GLU 2 3.601 -4.114 1.730
12 H CGU 3 HN GLA 3 3.602 -0.626 -1.213
13 HA CGU 3 HA GLA 3 6.194 -1.372 -1.838
14 HB2 CGU 3 HB1 GLA 3 4.593 0.889 -3.123
15 HB3 CGU 3 HB2 GLA 3 4.471 -0.815 -3.573
16 HG CGU 3 HG GLA 3 6.991 0.885 -3.765
17 H CGU 4 HN GLA 4 5.197 1.815 -0.595
18 HA CGU 4 HA GLA 4 7.626 3.204 -1.050
19 HB2 CGU 4 HB1 GLA 4 6.929 4.370 1.192
20 HB3 CGU 4 HB2 GLA 4 5.464 3.397 1.029
21 HG CGU 4 HG GLA 4 5.944 4.460 -1.536
22 H LEU 5 HN LEU 5 6.678 0.967 1.532
23 HA LEU 5 HA LEU 5 9.136 1.318 3.033
24 HB2 LEU 5 HB2 LEU 5 6.886 -0.697 3.081
25 HB3 LEU 5 HB1 LEU 5 8.332 -0.916 4.068
26 HG LEU 5 HG LEU 5 7.870 1.586 4.772
27 HD11 LEU 5 HD11 LEU 5 5.105 1.361 4.920
28 HD12 LEU 5 HD12 LEU 5 5.470 0.833 3.278
29 HD13 LEU 5 HD13 LEU 5 5.994 2.423 3.830
30 HD21 LEU 5 HD21 LEU 5 6.354 -0.846 5.738
31 HD22 LEU 5 HD22 LEU 5 6.366 0.692 6.604
32 HD23 LEU 5 HD23 LEU 5 7.869 -0.204 6.372
33 H ALA 6 HN ALA 6 7.907 -1.257 0.860
34 HA ALA 6 HA ALA 6 10.125 -2.957 0.857
35 HB1 ALA 6 HB1 ALA 6 8.368 -3.724 -0.479
36 HB2 ALA 6 HB2 ALA 6 9.524 -3.198 -1.704
37 HB3 ALA 6 HB3 ALA 6 8.161 -2.164 -1.277
38 H CGU 7 HN GLA 7 9.668 -0.020 -1.127
39 HA CGU 7 HA GLA 7 12.259 -0.154 -2.376
40 HB2 CGU 7 HB1 GLA 7 11.799 2.200 -2.987
41 HB3 CGU 7 HB2 GLA 7 10.414 2.211 -1.897
42 HG CGU 7 HG GLA 7 9.639 0.106 -3.302
43 H LYS 8 HN LYS 8 11.026 2.077 0.150
44 HA LYS 8 HA LYS 8 13.519 3.240 0.824
45 HB2 LYS 8 HB2 LYS 8 10.959 2.834 2.373
46 HB3 LYS 8 HB1 LYS 8 12.343 3.666 3.084
47 HG2 LYS 8 HG2 LYS 8 12.278 5.402 1.475
48 HG3 LYS 8 HG1 LYS 8 11.250 4.471 0.385
49 HD2 LYS 8 HD2 LYS 8 9.385 4.627 1.990
50 HD3 LYS 8 HD1 LYS 8 10.411 5.529 3.105
51 HE2 LYS 8 HE2 LYS 8 10.682 7.311 1.411
52 HE3 LYS 8 HE1 LYS 8 9.646 6.411 0.302
53 HZ1 LYS 8 HZ1 LYS 8 8.679 8.262 1.877
54 HZ2 LYS 8 HZ2 LYS 8 8.613 6.977 2.984
55 HZ3 LYS 8 HZ3 LYS 8 7.775 6.870 1.495
56 H ALA 9 HN ALA 9 11.920 0.358 2.213
57 HA ALA 9 HA ALA 9 14.000 -0.110 4.177
58 HB1 ALA 9 HB1 ALA 9 12.852 -2.109 4.678
59 HB2 ALA 9 HB2 ALA 9 12.231 -2.272 3.034
60 HB3 ALA 9 HB3 ALA 9 11.572 -1.039 4.108
61 H CGU 10 HN GLA 10 13.483 -1.183 0.831
62 HA CGU 10 HA GLA 10 15.687 -3.058 0.916
63 HB2 CGU 10 HB1 GLA 10 14.025 -1.882 -1.326
64 HB3 CGU 10 HB2 GLA 10 13.990 -3.530 -0.698
65 HG CGU 10 HG GLA 10 16.471 -2.333 -1.869
66 H PHE 11 HN PHE 11 15.257 0.293 -0.254
67 HA PHE 11 HA PHE 11 17.935 0.585 -1.296
68 HB2 PHE 11 HB2 PHE 11 16.758 2.384 -2.031
69 HB3 PHE 11 HB1 PHE 11 15.618 2.293 -0.700
70 HD1 PHE 11 HD1 PHE 11 18.254 4.169 -2.133
71 HD2 PHE 11 HD2 PHE 11 16.573 3.049 1.653
72 HE1 PHE 11 HE1 PHE 11 19.257 6.183 -1.080
73 HE2 PHE 11 HE2 PHE 11 17.595 5.043 2.708
74 HZ PHE 11 HZ PHE 11 18.936 6.614 1.339
75 H ALA 12 HN ALA 12 16.467 1.054 1.881
76 HA ALA 12 HA ALA 12 18.706 2.197 3.205
77 HB1 ALA 12 HB1 ALA 12 17.640 0.899 5.235
78 HB2 ALA 12 HB2 ALA 12 16.353 0.542 4.082
79 HB3 ALA 12 HB3 ALA 12 16.743 2.216 4.477
80 H ARG 13 HN ARG 13 17.999 -1.132 2.269
81 HA ARG 13 HA ARG 13 20.152 -2.246 3.900
82 HB2 ARG 13 HB2 ARG 13 18.348 -3.301 1.735
83 HB3 ARG 13 HB1 ARG 13 19.742 -4.245 2.262
84 HG2 ARG 13 HG2 ARG 13 18.914 -4.507 4.437
85 HG3 ARG 13 HG1 ARG 13 17.856 -3.100 4.308
86 HD2 ARG 13 HD2 ARG 13 17.397 -5.415 2.459
87 HD3 ARG 13 HD1 ARG 13 16.857 -5.546 4.136
88 HE ARG 13 HE ARG 13 15.979 -3.021 3.060
89 HH11 ARG 13 HH11 ARG 13 13.989 -4.288 4.501
90 HH12 ARG 13 HH12 ARG 13 12.978 -5.078 3.344
91 HH21 ARG 13 HH21 ARG 13 15.346 -4.967 0.831
92 HH22 ARG 13 HH22 ARG 13 13.741 -5.464 1.274
93 H CGU 14 HN GLA 14 19.782 -2.097 0.332
94 HA CGU 14 HA GLA 14 22.467 -2.699 -0.264
95 HB2 CGU 14 HB1 GLA 14 21.937 -1.502 -2.461
96 HB3 CGU 14 HB2 GLA 14 20.355 -1.150 -1.776
97 HG CGU 14 HG GLA 14 21.308 -3.963 -1.564
98 H LEU 15 HN LEU 15 20.980 0.547 0.190
99 HA LEU 15 HA LEU 15 23.510 1.851 -0.349
100 HB2 LEU 15 HB2 LEU 15 20.818 2.767 0.664
101 HB3 LEU 15 HB1 LEU 15 22.199 3.864 0.675
102 HG LEU 15 HG LEU 15 22.497 3.056 -1.821
103 HD11 LEU 15 HD11 LEU 15 19.629 2.366 -1.182
104 HD12 LEU 15 HD12 LEU 15 20.855 1.330 -1.908
105 HD13 LEU 15 HD13 LEU 15 20.188 2.682 -2.823
106 HD21 LEU 15 HD21 LEU 15 20.960 5.165 -0.551
107 HD22 LEU 15 HD22 LEU 15 20.303 4.752 -2.136
108 HD23 LEU 15 HD23 LEU 15 21.988 5.237 -1.979
109 H ALA 16 HN ALA 16 21.945 0.638 2.568
110 HA ALA 16 HA ALA 16 23.913 1.994 4.291
111 HB1 ALA 16 HB1 ALA 16 21.586 1.451 5.097
112 HB2 ALA 16 HB2 ALA 16 22.863 0.814 6.134
113 HB3 ALA 16 HB3 ALA 16 22.015 -0.259 5.020
114 H ASN 17 HN ASN 17 23.409 -1.172 2.791
115 HA ASN 17 HA ASN 17 25.514 -2.521 4.236
116 HB2 ASN 17 HB2 ASN 17 23.883 -3.859 3.046
117 HB3 ASN 17 HB1 ASN 17 24.275 -3.074 1.519
118 HD21 ASN 17 HD21 ASN 17 26.982 -3.765 3.618
119 HD22 ASN 17 HD22 ASN 17 27.556 -5.116 2.754
120 H TYR 18 HN TYR 18 25.467 -0.605 1.234
121 HA TYR 18 HA TYR 18 28.208 -1.130 0.524
122 HB2 TYR 18 HB2 TYR 18 26.411 1.226 -0.141
123 HB3 TYR 18 HB1 TYR 18 27.953 0.884 -0.910
124 HD1 TYR 18 HD1 TYR 18 27.398 -2.284 -0.736
125 HD2 TYR 18 HD2 TYR 18 25.247 1.093 -2.324
126 HE1 TYR 18 HE1 TYR 18 26.255 -3.768 -2.361
127 HE2 TYR 18 HE2 TYR 18 24.107 -0.403 -3.943
128 HH TYR 18 HH TYR 18 23.528 -2.983 -3.994
129 HN1 NH2 19 H1 NH2 19 28.424 -0.711 3.229
130 HN2 NH2 19 H2 NH2 19 29.130 0.820 3.555
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 2.704 4.857 0.814
2 H2 GLY 1 HT2 GLY 1 2.649 3.954 2.258
3 H3 GLY 1 HT3 GLY 1 1.241 4.707 1.671
4 HA2 GLY 1 HA1 GLY 1 0.789 2.664 0.861
5 HA3 GLY 1 HA2 GLY 1 1.857 3.201 -0.434
6 H GLU 2 HN GLU 2 1.415 0.484 0.621
7 HA GLU 2 HA GLU 2 3.581 -0.423 2.246
8 HB2 GLU 2 HB2 GLU 2 3.003 -2.640 1.422
9 HB3 GLU 2 HB1 GLU 2 1.521 -1.728 1.696
10 HG2 GLU 2 HG2 GLU 2 2.868 -2.315 -0.958
11 HG3 GLU 2 HG1 GLU 2 1.256 -2.797 -0.437
12 H CGU 3 HN GLA 3 3.365 0.067 -1.271
13 HA CGU 3 HA GLA 3 5.796 -1.276 -1.957
14 HB2 CGU 3 HB1 GLA 3 4.545 1.169 -3.290
15 HB3 CGU 3 HB2 GLA 3 4.076 -0.499 -3.646
16 HG CGU 3 HG GLA 3 6.858 0.687 -3.990
17 H CGU 4 HN GLA 4 5.237 1.981 -0.693
18 HA CGU 4 HA GLA 4 7.744 3.132 -1.324
19 HB2 CGU 4 HB1 GLA 4 7.297 4.481 0.827
20 HB3 CGU 4 HB2 GLA 4 5.795 3.563 0.933
21 HG CGU 4 HG GLA 4 6.282 4.631 -1.759
22 H LEU 5 HN LEU 5 6.827 1.612 1.808
23 HA LEU 5 HA LEU 5 9.402 1.697 2.941
24 HB2 LEU 5 HB2 LEU 5 8.632 0.061 4.507
25 HB3 LEU 5 HB1 LEU 5 7.309 1.168 4.172
26 HG LEU 5 HG LEU 5 6.672 -0.604 2.349
27 HD11 LEU 5 HD11 LEU 5 8.943 -1.808 3.536
28 HD12 LEU 5 HD12 LEU 5 7.857 -2.510 2.337
29 HD13 LEU 5 HD13 LEU 5 7.543 -2.746 4.053
30 HD21 LEU 5 HD21 LEU 5 6.008 -0.228 5.115
31 HD22 LEU 5 HD22 LEU 5 5.961 -1.953 4.756
32 HD23 LEU 5 HD23 LEU 5 4.978 -0.831 3.818
33 H ALA 6 HN ALA 6 7.944 -0.907 1.020
34 HA ALA 6 HA ALA 6 10.032 -2.779 1.130
35 HB1 ALA 6 HB1 ALA 6 9.337 -3.389 -1.238
36 HB2 ALA 6 HB2 ALA 6 8.252 -1.999 -1.200
37 HB3 ALA 6 HB3 ALA 6 8.015 -3.334 -0.072
38 H CGU 7 HN GLA 7 9.685 -0.062 -1.162
39 HA CGU 7 HA GLA 7 12.258 -0.422 -2.395
40 HB2 CGU 7 HB1 GLA 7 11.851 1.794 -3.345
41 HB3 CGU 7 HB2 GLA 7 10.563 2.091 -2.177
42 HG CGU 7 HG GLA 7 9.534 -0.142 -3.172
43 H LYS 8 HN LYS 8 11.081 1.984 -0.013
44 HA LYS 8 HA LYS 8 13.561 3.246 0.520
45 HB2 LYS 8 HB2 LYS 8 11.125 2.793 2.257
46 HB3 LYS 8 HB1 LYS 8 12.488 3.794 2.761
47 HG2 LYS 8 HG2 LYS 8 12.127 5.367 1.027
48 HG3 LYS 8 HG1 LYS 8 11.100 4.255 0.117
49 HD2 LYS 8 HD2 LYS 8 9.383 4.381 1.873
50 HD3 LYS 8 HD1 LYS 8 10.408 5.462 2.816
51 HE2 LYS 8 HE2 LYS 8 10.376 7.076 0.892
52 HE3 LYS 8 HE1 LYS 8 9.216 6.020 0.080
53 HZ1 LYS 8 HZ1 LYS 8 7.559 6.803 1.330
54 HZ2 LYS 8 HZ2 LYS 8 8.639 7.996 1.904
55 HZ3 LYS 8 HZ3 LYS 8 8.437 6.547 2.769
56 H ALA 9 HN ALA 9 12.028 0.499 2.215
57 HA ALA 9 HA ALA 9 14.165 0.073 4.077
58 HB1 ALA 9 HB1 ALA 9 11.781 -0.890 4.135
59 HB2 ALA 9 HB2 ALA 9 13.084 -1.986 4.594
60 HB3 ALA 9 HB3 ALA 9 12.360 -2.097 2.988
61 H CGU 10 HN GLA 10 13.504 -1.332 0.851
62 HA CGU 10 HA GLA 10 15.763 -3.083 0.905
63 HB2 CGU 10 HB1 GLA 10 14.025 -1.963 -1.306
64 HB3 CGU 10 HB2 GLA 10 14.104 -3.616 -0.699
65 HG CGU 10 HG GLA 10 16.452 -2.258 -1.975
66 H PHE 11 HN PHE 11 15.313 0.236 -0.394
67 HA PHE 11 HA PHE 11 18.028 0.532 -1.337
68 HB2 PHE 11 HB2 PHE 11 16.812 2.248 -2.211
69 HB3 PHE 11 HB1 PHE 11 15.666 2.238 -0.886
70 HD1 PHE 11 HD1 PHE 11 16.675 3.138 1.440
71 HD2 PHE 11 HD2 PHE 11 18.223 4.076 -2.452
72 HE1 PHE 11 HE1 PHE 11 17.673 5.212 2.346
73 HE2 PHE 11 HE2 PHE 11 19.216 6.161 -1.544
74 HZ PHE 11 HZ PHE 11 18.948 6.725 0.854
75 H ALA 12 HN ALA 12 16.392 1.152 1.744
76 HA ALA 12 HA ALA 12 18.601 2.324 3.115
77 HB1 ALA 12 HB1 ALA 12 16.536 2.463 4.245
78 HB2 ALA 12 HB2 ALA 12 17.408 1.240 5.169
79 HB3 ALA 12 HB3 ALA 12 16.182 0.755 3.998
80 H ARG 13 HN ARG 13 18.028 -0.907 2.027
81 HA ARG 13 HA ARG 13 19.952 -2.109 3.909
82 HB2 ARG 13 HB2 ARG 13 18.345 -3.163 1.574
83 HB3 ARG 13 HB1 ARG 13 19.604 -4.132 2.332
84 HG2 ARG 13 HG2 ARG 13 17.357 -2.859 3.910
85 HG3 ARG 13 HG1 ARG 13 17.240 -4.480 3.230
86 HD2 ARG 13 HD2 ARG 13 18.419 -5.323 4.946
87 HD3 ARG 13 HD1 ARG 13 19.757 -4.228 4.597
88 HE ARG 13 HE ARG 13 17.731 -3.851 6.673
89 HH11 ARG 13 HH11 ARG 13 17.703 -1.382 4.985
90 HH12 ARG 13 HH12 ARG 13 18.918 -0.413 5.749
91 HH21 ARG 13 HH21 ARG 13 20.268 -3.062 7.497
92 HH22 ARG 13 HH22 ARG 13 20.358 -1.363 7.186
93 H CGU 14 HN GLA 14 19.802 -1.969 0.325
94 HA CGU 14 HA GLA 14 22.530 -2.559 -0.114
95 HB2 CGU 14 HB1 GLA 14 22.131 -1.390 -2.337
96 HB3 CGU 14 HB2 GLA 14 20.535 -0.954 -1.742
97 HG CGU 14 HG GLA 14 21.396 -3.822 -1.581
98 H LEU 15 HN LEU 15 20.956 0.577 0.500
99 HA LEU 15 HA LEU 15 23.508 1.959 0.092
100 HB2 LEU 15 HB2 LEU 15 20.708 2.856 0.782
101 HB3 LEU 15 HB1 LEU 15 22.072 3.971 0.873
102 HG LEU 15 HG LEU 15 22.594 3.026 -1.552
103 HD11 LEU 15 HD11 LEU 15 19.660 2.455 -1.142
104 HD12 LEU 15 HD12 LEU 15 20.908 1.336 -1.682
105 HD13 LEU 15 HD13 LEU 15 20.384 2.648 -2.736
106 HD21 LEU 15 HD21 LEU 15 22.184 5.237 -1.766
107 HD22 LEU 15 HD22 LEU 15 20.931 5.205 -0.528
108 HD23 LEU 15 HD23 LEU 15 20.542 4.759 -2.191
109 H ALA 16 HN ALA 16 21.934 0.400 2.716
110 HA ALA 16 HA ALA 16 22.978 2.022 4.867
111 HB1 ALA 16 HB1 ALA 16 21.415 0.557 5.720
112 HB2 ALA 16 HB2 ALA 16 22.865 -0.396 6.034
113 HB3 ALA 16 HB3 ALA 16 21.873 -0.742 4.618
114 H ASN 17 HN ASN 17 24.206 -0.932 3.239
115 HA ASN 17 HA ASN 17 26.697 -0.942 4.732
116 HB2 ASN 17 HB2 ASN 17 27.468 -2.429 2.791
117 HB3 ASN 17 HB1 ASN 17 26.064 -3.008 3.686
118 HD21 ASN 17 HD21 ASN 17 27.146 -1.765 0.586
119 HD22 ASN 17 HD22 ASN 17 25.651 -1.949 -0.213
120 H TYR 18 HN TYR 18 25.588 0.487 1.721
121 HA TYR 18 HA TYR 18 28.197 1.444 0.872
122 HB2 TYR 18 HB2 TYR 18 26.433 1.123 -0.778
123 HB3 TYR 18 HB1 TYR 18 25.382 2.249 0.079
124 HD1 TYR 18 HD1 TYR 18 28.825 2.116 -1.430
125 HD2 TYR 18 HD2 TYR 18 25.324 4.474 -0.619
126 HE1 TYR 18 HE1 TYR 18 29.808 4.015 -2.690
127 HE2 TYR 18 HE2 TYR 18 26.311 6.366 -1.882
128 HH TYR 18 HH TYR 18 29.174 6.892 -2.441
129 HN1 NH2 19 H1 NH2 19 25.360 3.108 2.424
130 HN2 NH2 19 H2 NH2 19 26.294 4.424 3.002
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 3.816 5.805 0.657
2 H2 GLY 1 HT2 GLY 1 4.194 4.725 1.922
3 H3 GLY 1 HT3 GLY 1 2.837 5.740 2.047
4 HA2 GLY 1 HA1 GLY 1 1.564 4.189 1.128
5 HA3 GLY 1 HA2 GLY 1 2.574 4.258 -0.318
6 H GLU 2 HN GLU 2 1.756 1.816 0.023
7 HA GLU 2 HA GLU 2 3.339 0.244 1.910
8 HB2 GLU 2 HB2 GLU 2 2.406 -1.584 0.094
9 HB3 GLU 2 HB1 GLU 2 1.491 -1.024 1.491
10 HG2 GLU 2 HG2 GLU 2 0.117 -0.872 -0.539
11 HG3 GLU 2 HG1 GLU 2 0.446 0.741 0.084
12 H CGU 3 HN GLA 3 3.442 0.938 -1.571
13 HA CGU 3 HA GLA 3 5.738 -0.793 -2.060
14 HB2 CGU 3 HB1 GLA 3 4.585 1.556 -3.645
15 HB3 CGU 3 HB2 GLA 3 4.194 -0.144 -3.927
16 HG CGU 3 HG GLA 3 6.933 1.147 -4.222
17 H CGU 4 HN GLA 4 5.275 2.510 -1.019
18 HA CGU 4 HA GLA 4 7.897 3.516 -1.573
19 HB2 CGU 4 HB1 GLA 4 7.134 4.887 0.674
20 HB3 CGU 4 HB2 GLA 4 5.578 4.310 0.070
21 HG CGU 4 HG GLA 4 6.311 5.197 -2.223
22 H LEU 5 HN LEU 5 6.557 2.331 1.552
23 HA LEU 5 HA LEU 5 8.964 2.378 2.993
24 HB2 LEU 5 HB2 LEU 5 7.935 0.841 4.514
25 HB3 LEU 5 HB1 LEU 5 6.697 1.952 3.947
26 HG LEU 5 HG LEU 5 6.302 0.099 2.123
27 HD11 LEU 5 HD11 LEU 5 7.347 -1.872 2.429
28 HD12 LEU 5 HD12 LEU 5 6.867 -1.922 4.124
29 HD13 LEU 5 HD13 LEU 5 8.341 -1.080 3.652
30 HD21 LEU 5 HD21 LEU 5 4.662 -0.975 3.640
31 HD22 LEU 5 HD22 LEU 5 4.658 0.779 3.825
32 HD23 LEU 5 HD23 LEU 5 5.468 -0.231 5.021
33 H ALA 6 HN ALA 6 7.652 -0.257 1.026
34 HA ALA 6 HA ALA 6 9.710 -2.152 1.443
35 HB1 ALA 6 HB1 ALA 6 7.663 -2.707 0.214
36 HB2 ALA 6 HB2 ALA 6 9.068 -3.051 -0.794
37 HB3 ALA 6 HB3 ALA 6 8.112 -1.596 -1.079
38 H CGU 7 HN GLA 7 9.451 0.272 -1.190
39 HA CGU 7 HA GLA 7 12.001 -0.186 -2.342
40 HB2 CGU 7 HB1 GLA 7 11.777 2.168 -3.170
41 HB3 CGU 7 HB2 GLA 7 10.369 2.370 -2.129
42 HG CGU 7 HG GLA 7 9.452 0.231 -3.353
43 H LYS 8 HN LYS 8 11.014 2.213 0.120
44 HA LYS 8 HA LYS 8 13.611 3.274 0.620
45 HB2 LYS 8 HB2 LYS 8 11.265 2.956 2.516
46 HB3 LYS 8 HB1 LYS 8 12.666 3.989 2.801
47 HG2 LYS 8 HG2 LYS 8 10.833 4.263 0.396
48 HG3 LYS 8 HG1 LYS 8 10.665 5.215 1.871
49 HD2 LYS 8 HD2 LYS 8 13.138 5.864 1.525
50 HD3 LYS 8 HD1 LYS 8 12.950 5.228 -0.109
51 HE2 LYS 8 HE2 LYS 8 11.142 7.345 1.094
52 HE3 LYS 8 HE1 LYS 8 12.540 7.710 0.079
53 HZ1 LYS 8 HZ1 LYS 8 11.202 5.825 -1.345
54 HZ2 LYS 8 HZ2 LYS 8 11.117 7.499 -1.617
55 HZ3 LYS 8 HZ3 LYS 8 9.928 6.727 -0.665
56 H ALA 9 HN ALA 9 11.841 0.604 2.187
57 HA ALA 9 HA ALA 9 13.840 -0.084 4.096
58 HB1 ALA 9 HB1 ALA 9 11.816 -1.139 4.507
59 HB2 ALA 9 HB2 ALA 9 12.712 -2.458 3.757
60 HB3 ALA 9 HB3 ALA 9 11.552 -1.527 2.809
61 H CGU 10 HN GLA 10 13.334 -1.396 0.770
62 HA CGU 10 HA GLA 10 15.592 -3.160 0.971
63 HB2 CGU 10 HB1 GLA 10 13.967 -2.113 -1.359
64 HB3 CGU 10 HB2 GLA 10 14.012 -3.748 -0.697
65 HG CGU 10 HG GLA 10 16.470 -2.458 -1.824
66 H PHE 11 HN PHE 11 15.190 0.128 -0.393
67 HA PHE 11 HA PHE 11 17.888 0.389 -1.358
68 HB2 PHE 11 HB2 PHE 11 16.707 2.127 -2.207
69 HB3 PHE 11 HB1 PHE 11 15.561 2.114 -0.884
70 HD1 PHE 11 HD1 PHE 11 16.605 2.975 1.451
71 HD2 PHE 11 HD2 PHE 11 18.078 3.972 -2.453
72 HE1 PHE 11 HE1 PHE 11 17.608 5.045 2.369
73 HE2 PHE 11 HE2 PHE 11 19.078 6.052 -1.536
74 HZ PHE 11 HZ PHE 11 18.848 6.585 0.874
75 H ALA 12 HN ALA 12 16.383 0.994 1.785
76 HA ALA 12 HA ALA 12 18.577 2.211 3.093
77 HB1 ALA 12 HB1 ALA 12 16.484 2.123 4.242
78 HB2 ALA 12 HB2 ALA 12 17.580 1.105 5.175
79 HB3 ALA 12 HB3 ALA 12 16.397 0.369 4.094
80 H ARG 13 HN ARG 13 17.993 -1.193 2.291
81 HA ARG 13 HA ARG 13 20.207 -2.135 3.949
82 HB2 ARG 13 HB2 ARG 13 18.270 -3.582 3.328
83 HB3 ARG 13 HB1 ARG 13 18.816 -3.547 1.651
84 HG2 ARG 13 HG2 ARG 13 20.954 -4.565 2.297
85 HG3 ARG 13 HG1 ARG 13 20.472 -4.545 3.992
86 HD2 ARG 13 HD2 ARG 13 18.544 -6.023 3.433
87 HD3 ARG 13 HD1 ARG 13 19.118 -6.096 1.764
88 HE ARG 13 HE ARG 13 21.325 -6.884 3.250
89 HH11 ARG 13 HH11 ARG 13 19.787 -8.023 5.348
90 HH12 ARG 13 HH12 ARG 13 19.325 -9.581 4.757
91 HH21 ARG 13 HH21 ARG 13 19.983 -8.792 1.466
92 HH22 ARG 13 HH22 ARG 13 19.432 -10.017 2.556
93 H CGU 14 HN GLA 14 19.814 -2.180 0.372
94 HA CGU 14 HA GLA 14 22.527 -2.676 -0.214
95 HB2 CGU 14 HB1 GLA 14 21.952 -1.560 -2.444
96 HB3 CGU 14 HB2 GLA 14 20.365 -1.226 -1.765
97 HG CGU 14 HG GLA 14 21.381 -4.024 -1.527
98 H LEU 15 HN LEU 15 20.900 0.435 0.384
99 HA LEU 15 HA LEU 15 23.411 1.851 -0.196
100 HB2 LEU 15 HB2 LEU 15 20.638 2.751 0.605
101 HB3 LEU 15 HB1 LEU 15 21.996 3.874 0.544
102 HG LEU 15 HG LEU 15 22.363 2.787 -1.855
103 HD11 LEU 15 HD11 LEU 15 19.457 2.266 -1.227
104 HD12 LEU 15 HD12 LEU 15 20.663 1.107 -1.777
105 HD13 LEU 15 HD13 LEU 15 20.080 2.360 -2.871
106 HD21 LEU 15 HD21 LEU 15 20.833 5.049 -0.841
107 HD22 LEU 15 HD22 LEU 15 20.247 4.504 -2.413
108 HD23 LEU 15 HD23 LEU 15 21.934 4.969 -2.214
109 H ALA 16 HN ALA 16 21.984 0.339 2.526
110 HA ALA 16 HA ALA 16 22.989 2.031 4.618
111 HB1 ALA 16 HB1 ALA 16 21.638 0.422 5.563
112 HB2 ALA 16 HB2 ALA 16 23.179 -0.410 5.763
113 HB3 ALA 16 HB3 ALA 16 22.128 -0.817 4.409
114 H ASN 17 HN ASN 17 24.415 -0.783 2.923
115 HA ASN 17 HA ASN 17 26.973 -0.552 4.293
116 HB2 ASN 17 HB2 ASN 17 27.755 -1.943 2.247
117 HB3 ASN 17 HB1 ASN 17 26.553 -2.675 3.310
118 HD21 ASN 17 HD21 ASN 17 27.044 -1.244 0.120
119 HD22 ASN 17 HD22 ASN 17 25.513 -1.675 -0.498
120 H TYR 18 HN TYR 18 25.562 0.788 1.373
121 HA TYR 18 HA TYR 18 28.022 1.930 0.338
122 HB2 TYR 18 HB2 TYR 18 25.986 1.440 -1.049
123 HB3 TYR 18 HB1 TYR 18 25.155 2.754 -0.218
124 HD1 TYR 18 HD1 TYR 18 28.357 2.094 -2.075
125 HD2 TYR 18 HD2 TYR 18 25.234 4.896 -1.145
126 HE1 TYR 18 HE1 TYR 18 29.356 3.734 -3.646
127 HE2 TYR 18 HE2 TYR 18 26.237 6.529 -2.719
128 HH TYR 18 HH TYR 18 29.001 6.713 -3.648
129 HN1 NH2 19 H1 NH2 19 25.216 3.391 2.123
130 HN2 NH2 19 H2 NH2 19 26.104 4.764 2.643
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 1.459 4.442 -0.116
2 H2 GLY 1 HT2 GLY 1 1.327 2.739 -0.065
3 H3 GLY 1 HT3 GLY 1 2.613 3.483 -0.915
4 HA2 GLY 1 HA1 GLY 1 3.583 4.306 1.119
5 HA3 GLY 1 HA2 GLY 1 2.211 3.681 2.034
6 H GLU 2 HN GLU 2 1.759 1.283 1.124
7 HA GLU 2 HA GLU 2 3.532 -0.502 2.274
8 HB2 GLU 2 HB2 GLU 2 2.454 -2.210 0.832
9 HB3 GLU 2 HB1 GLU 2 1.279 -1.095 1.521
10 HG2 GLU 2 HG2 GLU 2 2.271 -1.264 -1.328
11 HG3 GLU 2 HG1 GLU 2 0.615 -1.249 -0.742
12 H CGU 3 HN GLA 3 3.486 0.392 -1.211
13 HA CGU 3 HA GLA 3 5.843 -1.182 -1.831
14 HB2 CGU 3 HB1 GLA 3 4.601 1.188 -3.308
15 HB3 CGU 3 HB2 GLA 3 4.178 -0.504 -3.597
16 HG CGU 3 HG GLA 3 6.936 0.730 -3.959
17 H CGU 4 HN GLA 4 5.310 2.255 -1.054
18 HA CGU 4 HA GLA 4 7.896 3.234 -1.552
19 HB2 CGU 4 HB1 GLA 4 7.373 4.838 0.348
20 HB3 CGU 4 HB2 GLA 4 5.873 3.945 0.581
21 HG CGU 4 HG GLA 4 6.346 4.647 -2.229
22 H LEU 5 HN LEU 5 6.599 1.799 1.454
23 HA LEU 5 HA LEU 5 8.974 1.938 2.988
24 HB2 LEU 5 HB2 LEU 5 6.535 0.192 3.021
25 HB3 LEU 5 HB1 LEU 5 7.912 -0.257 4.030
26 HG LEU 5 HG LEU 5 7.838 2.295 4.727
27 HD11 LEU 5 HD11 LEU 5 5.426 3.033 4.857
28 HD12 LEU 5 HD12 LEU 5 5.031 1.724 3.744
29 HD13 LEU 5 HD13 LEU 5 6.098 3.029 3.228
30 HD21 LEU 5 HD21 LEU 5 6.300 1.667 6.586
31 HD22 LEU 5 HD22 LEU 5 7.521 0.433 6.279
32 HD23 LEU 5 HD23 LEU 5 5.870 0.203 5.702
33 H ALA 6 HN ALA 6 7.772 -0.835 1.049
34 HA ALA 6 HA ALA 6 9.946 -2.568 1.408
35 HB1 ALA 6 HB1 ALA 6 9.367 -3.503 -0.828
36 HB2 ALA 6 HB2 ALA 6 8.338 -2.100 -1.124
37 HB3 ALA 6 HB3 ALA 6 7.938 -3.231 0.169
38 H CGU 7 HN GLA 7 9.580 -0.098 -1.157
39 HA CGU 7 HA GLA 7 12.148 -0.455 -2.330
40 HB2 CGU 7 HB1 GLA 7 11.791 1.811 -3.252
41 HB3 CGU 7 HB2 GLA 7 10.439 2.052 -2.146
42 HG CGU 7 HG GLA 7 9.484 -0.155 -3.217
43 H LYS 8 HN LYS 8 11.051 2.024 0.013
44 HA LYS 8 HA LYS 8 13.578 3.207 0.526
45 HB2 LYS 8 HB2 LYS 8 11.117 2.874 2.252
46 HB3 LYS 8 HB1 LYS 8 12.513 3.833 2.746
47 HG2 LYS 8 HG2 LYS 8 12.195 5.418 1.044
48 HG3 LYS 8 HG1 LYS 8 11.231 4.312 0.062
49 HD2 LYS 8 HD2 LYS 8 9.417 4.419 1.760
50 HD3 LYS 8 HD1 LYS 8 10.373 5.575 2.688
51 HE2 LYS 8 HE2 LYS 8 10.384 7.100 0.712
52 HE3 LYS 8 HE1 LYS 8 9.334 5.962 -0.137
53 HZ1 LYS 8 HZ1 LYS 8 8.179 6.399 2.344
54 HZ2 LYS 8 HZ2 LYS 8 7.607 6.949 0.830
55 HZ3 LYS 8 HZ3 LYS 8 8.638 7.929 1.774
56 H ALA 9 HN ALA 9 11.922 0.505 2.146
57 HA ALA 9 HA ALA 9 13.936 0.001 4.115
58 HB1 ALA 9 HB1 ALA 9 12.883 -2.315 4.163
59 HB2 ALA 9 HB2 ALA 9 11.846 -1.780 2.840
60 HB3 ALA 9 HB3 ALA 9 11.762 -0.975 4.407
61 H CGU 10 HN GLA 10 13.460 -1.435 0.850
62 HA CGU 10 HA GLA 10 15.751 -3.158 1.107
63 HB2 CGU 10 HB1 GLA 10 14.049 -2.244 -1.216
64 HB3 CGU 10 HB2 GLA 10 14.209 -3.862 -0.532
65 HG CGU 10 HG GLA 10 16.576 -2.466 -1.717
66 H PHE 11 HN PHE 11 15.259 0.063 -0.378
67 HA PHE 11 HA PHE 11 17.914 0.373 -1.414
68 HB2 PHE 11 HB2 PHE 11 16.538 2.011 -2.231
69 HB3 PHE 11 HB1 PHE 11 15.604 2.103 -0.759
70 HD1 PHE 11 HD1 PHE 11 16.959 3.157 1.343
71 HD2 PHE 11 HD2 PHE 11 17.901 3.788 -2.803
72 HE1 PHE 11 HE1 PHE 11 18.053 5.298 1.918
73 HE2 PHE 11 HE2 PHE 11 18.994 5.935 -2.222
74 HZ PHE 11 HZ PHE 11 19.073 6.689 0.139
75 H ALA 12 HN ALA 12 16.492 1.164 1.754
76 HA ALA 12 HA ALA 12 18.780 2.331 2.928
77 HB1 ALA 12 HB1 ALA 12 17.252 2.455 4.586
78 HB2 ALA 12 HB2 ALA 12 17.590 0.762 4.947
79 HB3 ALA 12 HB3 ALA 12 16.276 1.185 3.849
80 H ARG 13 HN ARG 13 17.961 -1.099 2.443
81 HA ARG 13 HA ARG 13 20.139 -2.148 4.009
82 HB2 ARG 13 HB2 ARG 13 18.133 -3.454 3.171
83 HB3 ARG 13 HB1 ARG 13 18.882 -3.444 1.575
84 HG2 ARG 13 HG2 ARG 13 20.984 -4.375 2.830
85 HG3 ARG 13 HG1 ARG 13 19.828 -4.797 4.094
86 HD2 ARG 13 HD2 ARG 13 19.669 -5.659 1.187
87 HD3 ARG 13 HD1 ARG 13 20.150 -6.682 2.542
88 HE ARG 13 HE ARG 13 17.569 -5.555 3.082
89 HH11 ARG 13 HH11 ARG 13 16.774 -6.226 0.460
90 HH12 ARG 13 HH12 ARG 13 16.455 -7.932 0.521
91 HH21 ARG 13 HH21 ARG 13 18.220 -8.412 3.440
92 HH22 ARG 13 HH22 ARG 13 17.279 -9.171 2.203
93 H CGU 14 HN GLA 14 19.864 -2.001 0.425
94 HA CGU 14 HA GLA 14 22.622 -2.486 -0.056
95 HB2 CGU 14 HB1 GLA 14 22.108 -1.399 -2.301
96 HB3 CGU 14 HB2 GLA 14 20.492 -1.073 -1.691
97 HG CGU 14 HG GLA 14 21.550 -3.853 -1.411
98 H LEU 15 HN LEU 15 20.810 0.508 0.512
99 HA LEU 15 HA LEU 15 23.025 2.278 -0.045
100 HB2 LEU 15 HB2 LEU 15 20.433 2.586 1.470
101 HB3 LEU 15 HB1 LEU 15 21.591 3.901 1.313
102 HG LEU 15 HG LEU 15 19.604 3.458 -0.434
103 HD11 LEU 15 HD11 LEU 15 22.341 4.531 -1.065
104 HD12 LEU 15 HD12 LEU 15 20.991 5.432 -0.376
105 HD13 LEU 15 HD13 LEU 15 20.897 4.828 -2.031
106 HD21 LEU 15 HD21 LEU 15 20.476 1.299 -1.231
107 HD22 LEU 15 HD22 LEU 15 21.995 2.076 -1.667
108 HD23 LEU 15 HD23 LEU 15 20.512 2.505 -2.511
109 H ALA 16 HN ALA 16 21.672 0.932 3.000
110 HA ALA 16 HA ALA 16 23.476 2.184 4.793
111 HB1 ALA 16 HB1 ALA 16 21.620 0.884 5.656
112 HB2 ALA 16 HB2 ALA 16 23.110 0.143 6.237
113 HB3 ALA 16 HB3 ALA 16 22.230 -0.582 4.891
114 H ASN 17 HN ASN 17 23.832 -0.832 2.939
115 HA ASN 17 HA ASN 17 26.571 -1.235 3.892
116 HB2 ASN 17 HB2 ASN 17 25.136 -2.592 1.572
117 HB3 ASN 17 HB1 ASN 17 26.635 -3.102 2.324
118 HD21 ASN 17 HD21 ASN 17 23.152 -2.645 3.035
119 HD22 ASN 17 HD22 ASN 17 23.137 -3.750 4.339
120 H TYR 18 HN TYR 18 25.016 0.037 0.956
121 HA TYR 18 HA TYR 18 27.478 0.392 -0.513
122 HB2 TYR 18 HB2 TYR 18 25.373 0.382 -1.713
123 HB3 TYR 18 HB1 TYR 18 24.776 1.740 -0.759
124 HD1 TYR 18 HD1 TYR 18 27.664 0.819 -2.983
125 HD2 TYR 18 HD2 TYR 18 25.023 3.909 -1.593
126 HE1 TYR 18 HE1 TYR 18 28.689 2.419 -4.579
127 HE2 TYR 18 HE2 TYR 18 26.049 5.501 -3.193
128 HH TYR 18 HH TYR 18 28.786 5.320 -4.447
129 HN1 NH2 19 H1 NH2 19 25.609 2.615 1.640
130 HN2 NH2 19 H2 NH2 19 26.865 3.779 1.743
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 1.310 4.916 1.193
2 H2 GLY 1 HT2 GLY 1 2.549 4.898 0.021
3 H3 GLY 1 HT3 GLY 1 2.848 4.321 1.597
4 HA2 GLY 1 HA1 GLY 1 0.763 2.778 0.868
5 HA3 GLY 1 HA2 GLY 1 1.630 2.980 -0.655
6 H GLU 2 HN GLU 2 1.540 0.470 0.583
7 HA GLU 2 HA GLU 2 3.694 -0.121 2.352
8 HB2 GLU 2 HB2 GLU 2 1.874 -1.702 1.873
9 HB3 GLU 2 HB1 GLU 2 2.430 -1.856 0.206
10 HG2 GLU 2 HG2 GLU 2 4.639 -2.678 1.091
11 HG3 GLU 2 HG1 GLU 2 3.934 -2.680 2.707
12 H CGU 3 HN GLA 3 3.597 -0.544 -1.207
13 HA CGU 3 HA GLA 3 6.226 -1.359 -1.666
14 HB2 CGU 3 HB1 GLA 3 4.560 0.597 -3.320
15 HB3 CGU 3 HB2 GLA 3 4.547 -1.159 -3.513
16 HG CGU 3 HG GLA 3 6.970 0.646 -3.913
17 H CGU 4 HN GLA 4 5.101 1.911 -0.928
18 HA CGU 4 HA GLA 4 7.502 3.302 -1.589
19 HB2 CGU 4 HB1 GLA 4 6.591 4.826 0.398
20 HB3 CGU 4 HB2 GLA 4 5.161 3.810 0.206
21 HG CGU 4 HG GLA 4 5.275 4.332 -2.286
22 H LEU 5 HN LEU 5 6.543 1.461 1.268
23 HA LEU 5 HA LEU 5 8.944 2.234 2.767
24 HB2 LEU 5 HB2 LEU 5 6.664 0.303 3.237
25 HB3 LEU 5 HB1 LEU 5 8.082 0.323 4.285
26 HG LEU 5 HG LEU 5 7.600 2.942 4.307
27 HD11 LEU 5 HD11 LEU 5 5.348 1.929 2.905
28 HD12 LEU 5 HD12 LEU 5 5.615 3.577 3.469
29 HD13 LEU 5 HD13 LEU 5 4.781 2.415 4.503
30 HD21 LEU 5 HD21 LEU 5 6.163 2.537 6.343
31 HD22 LEU 5 HD22 LEU 5 7.657 1.601 6.317
32 HD23 LEU 5 HD23 LEU 5 6.127 0.830 5.903
33 H ALA 6 HN ALA 6 7.721 -0.645 1.060
34 HA ALA 6 HA ALA 6 9.845 -2.428 1.570
35 HB1 ALA 6 HB1 ALA 6 8.325 -2.085 -1.037
36 HB2 ALA 6 HB2 ALA 6 7.777 -3.041 0.340
37 HB3 ALA 6 HB3 ALA 6 9.224 -3.521 -0.548
38 H CGU 7 HN GLA 7 9.559 -0.050 -1.090
39 HA CGU 7 HA GLA 7 12.075 -0.522 -2.298
40 HB2 CGU 7 HB1 GLA 7 11.873 1.891 -3.032
41 HB3 CGU 7 HB2 GLA 7 10.447 2.031 -2.003
42 HG CGU 7 HG GLA 7 9.591 -0.084 -3.325
43 H LYS 8 HN LYS 8 11.183 1.831 0.239
44 HA LYS 8 HA LYS 8 13.815 2.804 0.753
45 HB2 LYS 8 HB2 LYS 8 11.345 2.601 2.482
46 HB3 LYS 8 HB1 LYS 8 12.833 3.376 3.030
47 HG2 LYS 8 HG2 LYS 8 12.693 5.086 1.431
48 HG3 LYS 8 HG1 LYS 8 11.611 4.156 0.393
49 HD2 LYS 8 HD2 LYS 8 9.930 4.299 2.368
50 HD3 LYS 8 HD1 LYS 8 10.970 5.590 2.973
51 HE2 LYS 8 HE2 LYS 8 9.109 6.470 1.573
52 HE3 LYS 8 HE1 LYS 8 10.692 6.836 0.882
53 HZ1 LYS 8 HZ1 LYS 8 9.380 4.324 0.101
54 HZ2 LYS 8 HZ2 LYS 8 10.416 5.338 -0.799
55 HZ3 LYS 8 HZ3 LYS 8 8.779 5.778 -0.574
56 H ALA 9 HN ALA 9 11.937 0.174 2.254
57 HA ALA 9 HA ALA 9 13.821 -0.648 4.193
58 HB1 ALA 9 HB1 ALA 9 12.538 -2.574 4.407
59 HB2 ALA 9 HB2 ALA 9 12.263 -2.710 2.670
60 HB3 ALA 9 HB3 ALA 9 11.387 -1.503 3.609
61 H CGU 10 HN GLA 10 13.630 -1.599 0.730
62 HA CGU 10 HA GLA 10 15.976 -3.309 1.063
63 HB2 CGU 10 HB1 GLA 10 14.292 -2.537 -1.328
64 HB3 CGU 10 HB2 GLA 10 14.494 -4.128 -0.589
65 HG CGU 10 HG GLA 10 16.818 -2.625 -1.750
66 H PHE 11 HN PHE 11 15.302 -0.147 -0.516
67 HA PHE 11 HA PHE 11 17.976 0.278 -1.455
68 HB2 PHE 11 HB2 PHE 11 16.635 1.858 -2.386
69 HB3 PHE 11 HB1 PHE 11 15.552 1.898 -1.017
70 HD1 PHE 11 HD1 PHE 11 16.786 2.955 1.234
71 HD2 PHE 11 HD2 PHE 11 17.803 3.783 -2.860
72 HE1 PHE 11 HE1 PHE 11 17.704 5.149 1.905
73 HE2 PHE 11 HE2 PHE 11 18.718 5.983 -2.183
74 HZ PHE 11 HZ PHE 11 18.672 6.664 0.201
75 H ALA 12 HN ALA 12 16.407 0.847 1.667
76 HA ALA 12 HA ALA 12 18.533 2.248 2.917
77 HB1 ALA 12 HB1 ALA 12 17.641 1.204 5.046
78 HB2 ALA 12 HB2 ALA 12 16.548 0.248 4.045
79 HB3 ALA 12 HB3 ALA 12 16.413 2.006 4.065
80 H ARG 13 HN ARG 13 18.003 -1.264 2.464
81 HA ARG 13 HA ARG 13 20.281 -2.133 3.971
82 HB2 ARG 13 HB2 ARG 13 18.691 -3.319 1.707
83 HB3 ARG 13 HB1 ARG 13 20.157 -4.122 2.269
84 HG2 ARG 13 HG2 ARG 13 19.230 -4.118 4.585
85 HG3 ARG 13 HG1 ARG 13 17.737 -3.415 3.956
86 HD2 ARG 13 HD2 ARG 13 18.894 -6.002 2.893
87 HD3 ARG 13 HD1 ARG 13 17.733 -5.954 4.223
88 HE ARG 13 HE ARG 13 17.157 -5.177 1.395
89 HH11 ARG 13 HH11 ARG 13 15.596 -7.332 2.413
90 HH12 ARG 13 HH12 ARG 13 14.177 -6.580 3.050
91 HH21 ARG 13 HH21 ARG 13 15.607 -3.433 3.192
92 HH22 ARG 13 HH22 ARG 13 14.185 -4.384 3.498
93 H CGU 14 HN GLA 14 20.041 -1.978 0.388
94 HA CGU 14 HA GLA 14 22.824 -2.222 -0.060
95 HB2 CGU 14 HB1 GLA 14 22.283 -1.178 -2.301
96 HB3 CGU 14 HB2 GLA 14 20.637 -0.945 -1.725
97 HG CGU 14 HG GLA 14 21.872 -3.657 -1.439
98 H LEU 15 HN LEU 15 20.807 0.666 0.457
99 HA LEU 15 HA LEU 15 22.950 2.538 -0.040
100 HB2 LEU 15 HB2 LEU 15 20.326 2.741 1.446
101 HB3 LEU 15 HB1 LEU 15 21.419 4.106 1.246
102 HG LEU 15 HG LEU 15 19.456 3.490 -0.491
103 HD11 LEU 15 HD11 LEU 15 22.119 4.731 -1.128
104 HD12 LEU 15 HD12 LEU 15 20.701 5.554 -0.480
105 HD13 LEU 15 HD13 LEU 15 20.671 4.902 -2.117
106 HD21 LEU 15 HD21 LEU 15 21.942 2.212 -1.648
107 HD22 LEU 15 HD22 LEU 15 20.477 2.574 -2.553
108 HD23 LEU 15 HD23 LEU 15 20.435 1.385 -1.257
109 H ALA 16 HN ALA 16 21.638 0.998 2.903
110 HA ALA 16 HA ALA 16 23.393 2.319 4.750
111 HB1 ALA 16 HB1 ALA 16 21.442 1.022 5.513
112 HB2 ALA 16 HB2 ALA 16 22.916 0.384 6.240
113 HB3 ALA 16 HB3 ALA 16 22.166 -0.459 4.886
114 H ASN 17 HN ASN 17 23.695 -0.724 2.897
115 HA ASN 17 HA ASN 17 26.379 -1.236 3.921
116 HB2 ASN 17 HB2 ASN 17 26.150 -3.245 2.889
117 HB3 ASN 17 HB1 ASN 17 24.484 -2.763 2.588
118 HD21 ASN 17 HD21 ASN 17 27.704 -2.063 1.075
119 HD22 ASN 17 HD22 ASN 17 27.147 -2.289 -0.521
120 H TYR 18 HN TYR 18 25.001 0.266 1.014
121 HA TYR 18 HA TYR 18 27.558 0.680 -0.289
122 HB2 TYR 18 HB2 TYR 18 25.601 0.728 -1.673
123 HB3 TYR 18 HB1 TYR 18 24.828 1.938 -0.649
124 HD1 TYR 18 HD1 TYR 18 25.356 4.278 -0.842
125 HD2 TYR 18 HD2 TYR 18 27.552 1.364 -3.106
126 HE1 TYR 18 HE1 TYR 18 26.367 6.091 -2.197
127 HE2 TYR 18 HE2 TYR 18 28.560 3.184 -4.461
128 HH TYR 18 HH TYR 18 28.835 6.112 -3.672
129 HN1 NH2 19 H1 NH2 19 25.468 2.859 1.721
130 HN2 NH2 19 H2 NH2 19 26.727 3.983 2.029
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