Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
570630 | 2m7c RC | 19180 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H1 ARG 1 32.611 7.521 1.297
2 H2 ARG 1 H2 ARG 1 32.408 8.434 2.472
3 H3 ARG 1 H3 ARG 1 32.746 6.989 2.693
4 HA ARG 1 HA ARG 1 30.108 8.047 2.552
5 HB2 ARG 1 HB2 ARG 1 29.171 6.538 0.793
6 HB3 ARG 1 HB3 ARG 1 30.197 7.867 0.206
7 HG2 ARG 1 HG2 ARG 1 31.876 6.453 -0.498
8 HG3 ARG 1 HG3 ARG 1 31.476 5.207 0.709
9 HD2 ARG 1 HD2 ARG 1 30.076 4.143 -0.700
10 HD3 ARG 1 HD3 ARG 1 29.319 5.664 -1.228
11 HE ARG 1 HE ARG 1 31.447 4.224 -2.535
12 HH11 ARG 1 HH11 ARG 1 29.891 7.338 -2.153
13 HH12 ARG 1 HH12 ARG 1 30.442 7.938 -3.706
14 HH21 ARG 1 HH21 ARG 1 32.161 5.000 -4.556
15 HH22 ARG 1 HH22 ARG 1 31.721 6.620 -5.059
16 HA PRO 2 HA PRO 2 29.988 4.698 5.533
17 HB2 PRO 2 HB2 PRO 2 27.079 5.337 5.707
18 HB3 PRO 2 HB3 PRO 2 28.303 5.363 6.984
19 HG2 PRO 2 HG2 PRO 2 27.284 7.642 5.941
20 HG3 PRO 2 HG3 PRO 2 28.957 7.548 6.505
21 HD2 PRO 2 HD2 PRO 2 27.902 7.518 3.668
22 HD3 PRO 2 HD3 PRO 2 29.385 8.244 4.301
23 HA PRO 3 HA PRO 3 28.464 1.072 3.532
24 HB2 PRO 3 HB2 PRO 3 26.918 -0.089 5.593
25 HB3 PRO 3 HB3 PRO 3 28.655 -0.327 5.358
26 HG2 PRO 3 HG2 PRO 3 27.220 1.539 7.230
27 HG3 PRO 3 HG3 PRO 3 28.732 0.653 7.465
28 HD2 PRO 3 HD2 PRO 3 28.741 3.317 6.930
29 HD3 PRO 3 HD3 PRO 3 30.014 2.266 6.299
30 HA PRO 4 HA PRO 4 24.332 2.448 2.373
31 HB2 PRO 4 HB2 PRO 4 24.326 1.434 -0.143
32 HB3 PRO 4 HB3 PRO 4 25.271 2.873 0.265
33 HG2 PRO 4 HG2 PRO 4 26.194 0.003 -0.029
34 HG3 PRO 4 HG3 PRO 4 26.981 1.490 -0.576
35 HD2 PRO 4 HD2 PRO 4 27.691 0.139 1.756
36 HD3 PRO 4 HD3 PRO 4 27.987 1.864 1.504
37 H SER 5 H SER 5 22.387 1.492 2.580
38 HA SER 5 HA SER 5 22.049 -1.107 3.501
39 HB2 SER 5 HB2 SER 5 19.658 -0.791 3.148
40 HB3 SER 5 HB3 SER 5 20.390 0.689 3.810
41 HG SER 5 HG SER 5 19.362 1.550 2.149
42 H ASP 6 H ASP 6 21.404 0.131 0.210
43 HA ASP 6 HA ASP 6 20.421 -2.118 -0.994
44 HB2 ASP 6 HB2 ASP 6 22.288 -0.009 -2.215
45 HB3 ASP 6 HB3 ASP 6 21.508 -1.396 -3.017
46 H AIB 7 H AIB 7 21.176 -4.009 -1.793
47 HB11 AIB 7 HB11 AIB 7 24.498 -6.115 -0.461
48 HB12 AIB 7 HB12 AIB 7 24.354 -4.415 0.042
49 HB13 AIB 7 HB13 AIB 7 23.069 -5.577 0.450
50 HB21 AIB 7 HB21 AIB 7 21.853 -6.665 -1.271
51 HB22 AIB 7 HB22 AIB 7 22.720 -6.755 -2.749
52 HB23 AIB 7 HB23 AIB 7 21.337 -5.749 -2.625
53 H ALA 8 H ALA 8 22.895 -3.844 -3.953
54 HA ALA 8 HA ALA 8 25.237 -4.755 -5.175
55 HB1 ALA 8 HB1 ALA 8 24.880 -2.974 -6.836
56 HB2 ALA 8 HB2 ALA 8 23.659 -2.244 -5.767
57 HB3 ALA 8 HB3 ALA 8 23.381 -3.858 -6.462
58 H ALA 9 H ALA 9 24.609 -1.570 -3.673
59 HA ALA 9 HA ALA 9 27.202 -0.581 -4.258
60 HB1 ALA 9 HB1 ALA 9 26.608 1.310 -2.804
61 HB2 ALA 9 HB2 ALA 9 25.158 0.426 -2.274
62 HB3 ALA 9 HB3 ALA 9 25.321 0.930 -3.972
63 H TYR 10 H TYR 10 25.861 -2.349 -1.544
64 HA TYR 10 HA TYR 10 27.773 -1.729 0.402
65 HB2 TYR 10 HB2 TYR 10 25.572 -2.977 0.667
66 HB3 TYR 10 HB3 TYR 10 26.464 -4.419 0.126
67 HD1 TYR 10 HD1 TYR 10 26.650 -1.690 2.695
68 HD2 TYR 10 HD2 TYR 10 27.552 -5.735 1.739
69 HE1 TYR 10 HE1 TYR 10 27.467 -2.044 4.986
70 HE2 TYR 10 HE2 TYR 10 28.368 -6.101 4.030
71 HH TYR 10 HH TYR 10 29.333 -3.990 5.994
72 H ALA 11 H ALA 11 27.860 -3.984 -2.288
73 HA ALA 11 HA ALA 11 30.130 -5.464 -1.425
74 HB1 ALA 11 HB1 ALA 11 30.201 -6.315 -3.734
75 HB2 ALA 11 HB2 ALA 11 28.976 -5.114 -4.200
76 HB3 ALA 11 HB3 ALA 11 28.565 -6.398 -3.040
77 H GLN 12 H GLN 12 29.735 -2.881 -3.873
78 HA GLN 12 HA GLN 12 32.463 -2.608 -4.492
79 HB2 GLN 12 HB2 GLN 12 30.288 -1.628 -5.586
80 HB3 GLN 12 HB3 GLN 12 30.644 -0.246 -4.522
81 HG2 GLN 12 HG2 GLN 12 31.896 0.285 -6.736
82 HG3 GLN 12 HG3 GLN 12 32.826 -0.272 -5.325
83 HE21 GLN 12 HE22 GLN 12 34.541 -1.302 -6.179
84 HE22 GLN 12 HE21 GLN 12 34.455 -2.586 -7.340
85 H TRP 13 H TRP 13 30.480 -1.242 -1.943
86 HA TRP 13 HA TRP 13 32.169 0.766 -0.985
87 HB2 TRP 13 HB2 TRP 13 29.847 0.523 -0.200
88 HB3 TRP 13 HB3 TRP 13 30.249 -1.039 0.550
89 HD1 TRP 13 HD1 TRP 13 31.080 2.719 0.958
90 HE1 TRP 13 HE1 TRP 13 31.583 3.124 3.446
91 HE3 TRP 13 HE3 TRP 13 30.849 -2.100 2.626
92 HZ2 TRP 13 HZ2 TRP 13 31.851 1.603 5.808
93 HZ3 TRP 13 HZ3 TRP 13 31.244 -2.546 5.016
94 HH2 TRP 13 HH2 TRP 13 31.735 -0.729 6.572
95 H LEU 14 H LEU 14 31.977 -2.682 -0.121
96 HA LEU 14 HA LEU 14 34.038 -2.704 1.799
97 HB2 LEU 14 HB2 LEU 14 32.987 -4.708 -0.071
98 HB3 LEU 14 HB3 LEU 14 34.156 -5.235 1.160
99 HG LEU 14 HG LEU 14 31.389 -4.088 1.708
100 HD11 LEU 14 HD11 LEU 14 30.831 -6.338 2.500
101 HD12 LEU 14 HD12 LEU 14 31.277 -6.337 0.777
102 HD13 LEU 14 HD13 LEU 14 32.440 -6.905 1.999
103 HD21 LEU 14 HD21 LEU 14 31.821 -4.688 4.048
104 HD22 LEU 14 HD22 LEU 14 33.468 -5.202 3.607
105 HD23 LEU 14 HD23 LEU 14 33.000 -3.493 3.457
106 H ALA 15 H ALA 15 34.046 -3.200 -1.703
107 HA ALA 15 HA ALA 15 36.712 -3.986 -2.028
108 HB1 ALA 15 HB1 ALA 15 36.437 -3.303 -4.378
109 HB2 ALA 15 HB2 ALA 15 34.915 -2.490 -3.946
110 HB3 ALA 15 HB3 ALA 15 35.058 -4.257 -3.785
111 H ASP 16 H ASP 16 35.304 -0.792 -1.619
112 HA ASP 16 HA ASP 16 37.798 0.534 -2.318
113 HB2 ASP 16 HB2 ASP 16 35.111 1.347 -2.524
114 HB3 ASP 16 HB3 ASP 16 35.763 2.054 -1.024
115 H DAL 17 H DAL 17 37.343 -1.224 0.199
116 HA DAL 17 HA DAL 17 38.862 0.483 1.969
117 HB1 DAL 17 HB1 DAL 17 39.100 -1.533 3.358
118 HB2 DAL 17 HB2 DAL 17 39.567 -1.818 1.666
119 HB3 DAL 17 HB3 DAL 17 37.995 -2.398 2.264
120 H GLY 18 H GLY 18 35.558 -0.278 1.567
121 HA2 GLY 18 HA2 GLY 18 33.678 0.219 2.788
122 HA3 GLY 18 HA3 GLY 18 34.602 -0.329 4.205
123 H TRP 19 H TRP 19 35.222 1.133 5.681
124 HA TRP 19 HA TRP 19 34.190 3.775 5.554
125 HB2 TRP 19 HB2 TRP 19 35.989 2.335 7.516
126 HB3 TRP 19 HB3 TRP 19 35.597 4.061 7.706
127 HD1 TRP 19 HD1 TRP 19 34.396 0.747 8.690
128 HE1 TRP 19 HE1 TRP 19 32.001 0.884 9.621
129 HE3 TRP 19 HE3 TRP 19 33.179 5.454 7.105
130 HZ2 TRP 19 HZ2 TRP 19 29.875 2.744 9.675
131 HZ3 TRP 19 HZ3 TRP 19 30.946 6.337 7.638
132 HH2 TRP 19 HH2 TRP 19 29.329 5.009 8.895
133 H ALA 20 H ALA 20 37.325 2.373 4.854
134 HA ALA 20 HA ALA 20 38.815 4.789 4.843
135 HB1 ALA 20 HB1 ALA 20 40.517 3.502 3.611
136 HB2 ALA 20 HB2 ALA 20 39.351 2.173 3.418
137 HB3 ALA 20 HB3 ALA 20 39.918 2.630 5.042
138 H SER 21 H SER 21 36.493 3.525 2.664
139 HA SER 21 HA SER 21 37.381 4.403 0.182
140 HB2 SER 21 HB2 SER 21 35.375 3.006 0.500
141 HB3 SER 21 HB3 SER 21 34.532 4.398 1.217
142 HG SER 21 HG SER 21 34.087 4.087 -1.057
Start of MODEL 2
1 H1 ARG 1 H1 ARG 1 32.686 7.988 0.620
2 H2 ARG 1 H2 ARG 1 31.900 9.003 1.396
3 H3 ARG 1 H3 ARG 1 32.584 7.876 2.113
4 HA ARG 1 HA ARG 1 29.896 7.828 1.172
5 HB2 ARG 1 HB2 ARG 1 30.086 5.603 -0.088
6 HB3 ARG 1 HB3 ARG 1 30.513 7.110 -0.930
7 HG2 ARG 1 HG2 ARG 1 32.854 6.664 -0.736
8 HG3 ARG 1 HG3 ARG 1 32.570 5.326 0.404
9 HD2 ARG 1 HD2 ARG 1 33.159 4.564 -1.902
10 HD3 ARG 1 HD3 ARG 1 31.575 3.977 -1.345
11 HE ARG 1 HE ARG 1 30.656 5.034 -3.123
12 HH11 ARG 1 HH11 ARG 1 33.714 6.609 -2.450
13 HH12 ARG 1 HH12 ARG 1 33.578 7.712 -3.806
14 HH21 ARG 1 HH21 ARG 1 30.479 6.464 -4.881
15 HH22 ARG 1 HH22 ARG 1 31.755 7.630 -5.176
16 HA PRO 2 HA PRO 2 30.108 5.108 4.730
17 HB2 PRO 2 HB2 PRO 2 27.549 5.470 5.584
18 HB3 PRO 2 HB3 PRO 2 28.768 6.738 5.767
19 HG2 PRO 2 HG2 PRO 2 26.512 6.540 3.802
20 HG3 PRO 2 HG3 PRO 2 27.277 7.978 4.491
21 HD2 PRO 2 HD2 PRO 2 27.790 6.849 1.906
22 HD3 PRO 2 HD3 PRO 2 28.692 8.160 2.676
23 HA PRO 3 HA PRO 3 28.441 1.172 3.611
24 HB2 PRO 3 HB2 PRO 3 26.958 0.431 5.879
25 HB3 PRO 3 HB3 PRO 3 28.704 0.213 5.699
26 HG2 PRO 3 HG2 PRO 3 27.189 2.385 7.132
27 HG3 PRO 3 HG3 PRO 3 28.718 1.610 7.563
28 HD2 PRO 3 HD2 PRO 3 28.650 4.104 6.465
29 HD3 PRO 3 HD3 PRO 3 29.980 2.991 6.124
30 HA PRO 4 HA PRO 4 24.287 2.477 2.332
31 HB2 PRO 4 HB2 PRO 4 24.336 1.417 -0.157
32 HB3 PRO 4 HB3 PRO 4 25.234 2.894 0.221
33 HG2 PRO 4 HG2 PRO 4 26.246 0.046 0.000
34 HG3 PRO 4 HG3 PRO 4 26.985 1.540 -0.590
35 HD2 PRO 4 HD2 PRO 4 27.731 0.279 1.784
36 HD3 PRO 4 HD3 PRO 4 27.986 2.001 1.473
37 H SER 5 H SER 5 22.422 1.426 2.685
38 HA SER 5 HA SER 5 22.248 -1.170 3.633
39 HB2 SER 5 HB2 SER 5 20.126 0.555 2.340
40 HB3 SER 5 HB3 SER 5 19.784 -0.980 3.169
41 HG SER 5 HG SER 5 19.539 0.853 4.559
42 H ASP 6 H ASP 6 21.205 -0.063 0.388
43 HA ASP 6 HA ASP 6 20.441 -2.363 -0.795
44 HB2 ASP 6 HB2 ASP 6 20.651 -0.051 -1.953
45 HB3 ASP 6 HB3 ASP 6 22.374 -0.500 -2.004
46 H AIB 7 H AIB 7 21.282 -4.264 -1.419
47 HB11 AIB 7 HB11 AIB 7 24.643 -5.865 0.169
48 HB12 AIB 7 HB12 AIB 7 24.281 -4.135 0.368
49 HB13 AIB 7 HB13 AIB 7 23.080 -5.357 0.849
50 HB21 AIB 7 HB21 AIB 7 22.298 -6.948 -0.935
51 HB22 AIB 7 HB22 AIB 7 23.366 -6.982 -2.275
52 HB23 AIB 7 HB23 AIB 7 21.827 -6.243 -2.425
53 H ALA 8 H ALA 8 22.940 -4.026 -3.639
54 HA ALA 8 HA ALA 8 25.237 -4.905 -4.950
55 HB1 ALA 8 HB1 ALA 8 24.782 -3.146 -6.610
56 HB2 ALA 8 HB2 ALA 8 23.609 -2.415 -5.491
57 HB3 ALA 8 HB3 ALA 8 23.311 -4.039 -6.156
58 H ALA 9 H ALA 9 24.640 -1.677 -3.534
59 HA ALA 9 HA ALA 9 27.249 -0.740 -4.160
60 HB1 ALA 9 HB1 ALA 9 26.659 1.229 -2.810
61 HB2 ALA 9 HB2 ALA 9 25.193 0.389 -2.253
62 HB3 ALA 9 HB3 ALA 9 25.382 0.803 -3.973
63 H TYR 10 H TYR 10 25.863 -2.355 -1.371
64 HA TYR 10 HA TYR 10 27.778 -1.638 0.548
65 HB2 TYR 10 HB2 TYR 10 25.560 -2.795 0.919
66 HB3 TYR 10 HB3 TYR 10 26.379 -4.299 0.431
67 HD1 TYR 10 HD1 TYR 10 26.816 -1.448 2.842
68 HD2 TYR 10 HD2 TYR 10 27.351 -5.603 2.113
69 HE1 TYR 10 HE1 TYR 10 27.668 -1.731 5.130
70 HE2 TYR 10 HE2 TYR 10 28.204 -5.899 4.402
71 HH TYR 10 HH TYR 10 29.397 -3.763 6.211
72 H ALA 11 H ALA 11 27.822 -4.056 -1.995
73 HA ALA 11 HA ALA 11 30.048 -5.540 -1.034
74 HB1 ALA 11 HB1 ALA 11 30.121 -6.513 -3.294
75 HB2 ALA 11 HB2 ALA 11 28.933 -5.306 -3.836
76 HB3 ALA 11 HB3 ALA 11 28.476 -6.517 -2.615
77 H GLN 12 H GLN 12 29.749 -3.104 -3.636
78 HA GLN 12 HA GLN 12 32.488 -2.924 -4.232
79 HB2 GLN 12 HB2 GLN 12 30.353 -1.965 -5.412
80 HB3 GLN 12 HB3 GLN 12 30.712 -0.532 -4.420
81 HG2 GLN 12 HG2 GLN 12 32.026 -0.116 -6.611
82 HG3 GLN 12 HG3 GLN 12 32.926 -0.680 -5.184
83 HE21 GLN 12 HE22 GLN 12 34.598 -1.799 -6.019
84 HE22 GLN 12 HE21 GLN 12 34.454 -3.107 -7.144
85 H TRP 13 H TRP 13 30.508 -1.335 -1.806
86 HA TRP 13 HA TRP 13 32.266 0.667 -0.957
87 HB2 TRP 13 HB2 TRP 13 29.895 0.546 -0.242
88 HB3 TRP 13 HB3 TRP 13 30.252 -0.931 0.684
89 HD1 TRP 13 HD1 TRP 13 31.046 2.850 0.720
90 HE1 TRP 13 HE1 TRP 13 31.521 3.505 3.167
91 HE3 TRP 13 HE3 TRP 13 30.904 -1.790 2.844
92 HZ2 TRP 13 HZ2 TRP 13 31.795 2.222 5.669
93 HZ3 TRP 13 HZ3 TRP 13 31.285 -1.999 5.267
94 HH2 TRP 13 HH2 TRP 13 31.721 -0.032 6.650
95 H LEU 14 H LEU 14 31.901 -2.704 0.147
96 HA LEU 14 HA LEU 14 33.921 -2.664 2.114
97 HB2 LEU 14 HB2 LEU 14 32.816 -4.759 0.382
98 HB3 LEU 14 HB3 LEU 14 33.948 -5.240 1.667
99 HG LEU 14 HG LEU 14 31.228 -3.941 2.097
100 HD11 LEU 14 HD11 LEU 14 30.564 -6.114 3.016
101 HD12 LEU 14 HD12 LEU 14 31.031 -6.239 1.304
102 HD13 LEU 14 HD13 LEU 14 32.154 -6.780 2.574
103 HD21 LEU 14 HD21 LEU 14 31.605 -4.418 4.473
104 HD22 LEU 14 HD22 LEU 14 33.230 -5.037 4.090
105 HD23 LEU 14 HD23 LEU 14 32.847 -3.317 3.831
106 H ALA 15 H ALA 15 33.981 -3.373 -1.347
107 HA ALA 15 HA ALA 15 36.569 -4.364 -1.600
108 HB1 ALA 15 HB1 ALA 15 36.423 -3.687 -3.963
109 HB2 ALA 15 HB2 ALA 15 34.975 -2.727 -3.581
110 HB3 ALA 15 HB3 ALA 15 34.941 -4.497 -3.401
111 H ASP 16 H ASP 16 35.442 -1.022 -1.424
112 HA ASP 16 HA ASP 16 38.094 0.027 -1.974
113 HB2 ASP 16 HB2 ASP 16 35.461 1.090 -2.277
114 HB3 ASP 16 HB3 ASP 16 36.254 1.856 -0.878
115 H DAL 17 H DAL 17 37.108 -1.495 0.634
116 HA DAL 17 HA DAL 17 38.765 0.095 2.408
117 HB1 DAL 17 HB1 DAL 17 38.623 -1.837 3.926
118 HB2 DAL 17 HB2 DAL 17 39.171 -2.296 2.297
119 HB3 DAL 17 HB3 DAL 17 37.495 -2.622 2.796
120 H GLY 18 H GLY 18 35.507 0.045 1.675
121 HA2 GLY 18 HA2 GLY 18 33.622 0.864 2.701
122 HA3 GLY 18 HA3 GLY 18 34.256 0.154 4.204
123 H TRP 19 H TRP 19 35.015 1.472 5.753
124 HA TRP 19 HA TRP 19 34.547 4.268 5.543
125 HB2 TRP 19 HB2 TRP 19 35.845 2.551 7.682
126 HB3 TRP 19 HB3 TRP 19 35.687 4.317 7.841
127 HD1 TRP 19 HD1 TRP 19 33.949 1.255 8.743
128 HE1 TRP 19 HE1 TRP 19 31.493 1.727 9.357
129 HE3 TRP 19 HE3 TRP 19 33.536 5.990 6.858
130 HZ2 TRP 19 HZ2 TRP 19 29.630 3.831 9.079
131 HZ3 TRP 19 HZ3 TRP 19 31.383 7.161 7.071
132 HH2 TRP 19 HH2 TRP 19 29.471 6.103 8.160
133 H ALA 20 H ALA 20 37.370 2.247 5.132
134 HA ALA 20 HA ALA 20 39.158 4.553 5.039
135 HB1 ALA 20 HB1 ALA 20 40.953 2.887 4.785
136 HB2 ALA 20 HB2 ALA 20 39.730 1.594 4.755
137 HB3 ALA 20 HB3 ALA 20 39.948 2.579 6.222
138 H SER 21 H SER 21 37.212 4.626 3.047
139 HA SER 21 HA SER 21 38.514 3.692 0.599
140 HB2 SER 21 HB2 SER 21 36.179 3.147 0.713
141 HB3 SER 21 HB3 SER 21 35.756 4.820 1.141
142 HG SER 21 HG SER 21 35.799 5.331 -0.911
Start of MODEL 3
1 H1 ARG 1 H1 ARG 1 32.019 7.567 1.096
2 H2 ARG 1 H2 ARG 1 31.866 8.460 2.292
3 H3 ARG 1 H3 ARG 1 32.328 7.044 2.467
4 HA ARG 1 HA ARG 1 29.619 7.909 2.590
5 HB2 ARG 1 HB2 ARG 1 28.618 6.357 0.918
6 HB3 ARG 1 HB3 ARG 1 29.513 7.734 0.236
7 HG2 ARG 1 HG2 ARG 1 31.372 6.340 -0.355
8 HG3 ARG 1 HG3 ARG 1 30.711 4.967 0.565
9 HD2 ARG 1 HD2 ARG 1 28.851 4.765 -0.995
10 HD3 ARG 1 HD3 ARG 1 29.385 6.221 -1.868
11 HE ARG 1 HE ARG 1 31.253 4.977 -2.689
12 HH11 ARG 1 HH11 ARG 1 28.867 3.022 -1.014
13 HH12 ARG 1 HH12 ARG 1 29.401 1.529 -1.761
14 HH21 ARG 1 HH21 ARG 1 31.939 3.041 -3.653
15 HH22 ARG 1 HH22 ARG 1 31.130 1.540 -3.246
16 HA PRO 2 HA PRO 2 30.031 4.539 5.530
17 HB2 PRO 2 HB2 PRO 2 27.126 4.991 6.027
18 HB3 PRO 2 HB3 PRO 2 28.479 5.097 7.162
19 HG2 PRO 2 HG2 PRO 2 27.202 7.307 6.254
20 HG3 PRO 2 HG3 PRO 2 28.929 7.322 6.635
21 HD2 PRO 2 HD2 PRO 2 27.579 7.225 3.928
22 HD3 PRO 2 HD3 PRO 2 29.066 8.054 4.407
23 HA PRO 3 HA PRO 3 28.487 0.834 3.689
24 HB2 PRO 3 HB2 PRO 3 27.089 -0.354 5.844
25 HB3 PRO 3 HB3 PRO 3 28.815 -0.550 5.508
26 HG2 PRO 3 HG2 PRO 3 27.445 1.294 7.448
27 HG3 PRO 3 HG3 PRO 3 28.991 0.447 7.600
28 HD2 PRO 3 HD2 PRO 3 28.906 3.105 7.051
29 HD3 PRO 3 HD3 PRO 3 30.161 2.080 6.343
30 HA PRO 4 HA PRO 4 24.269 2.194 2.779
31 HB2 PRO 4 HB2 PRO 4 24.218 1.416 0.182
32 HB3 PRO 4 HB3 PRO 4 25.104 2.860 0.692
33 HG2 PRO 4 HG2 PRO 4 26.156 0.090 0.083
34 HG3 PRO 4 HG3 PRO 4 26.855 1.664 -0.321
35 HD2 PRO 4 HD2 PRO 4 27.669 0.099 1.855
36 HD3 PRO 4 HD3 PRO 4 27.927 1.845 1.747
37 H SER 5 H SER 5 22.400 1.124 3.014
38 HA SER 5 HA SER 5 22.234 -1.551 3.715
39 HB2 SER 5 HB2 SER 5 20.099 0.296 2.623
40 HB3 SER 5 HB3 SER 5 19.762 -1.311 3.306
41 HG SER 5 HG SER 5 19.544 0.383 4.869
42 H ASP 6 H ASP 6 21.276 -0.102 0.585
43 HA ASP 6 HA ASP 6 20.480 -2.329 -0.784
44 HB2 ASP 6 HB2 ASP 6 20.542 0.103 -1.695
45 HB3 ASP 6 HB3 ASP 6 22.277 -0.264 -1.864
46 H AIB 7 H AIB 7 21.336 -4.066 -1.639
47 HB11 AIB 7 HB11 AIB 7 24.797 -5.921 -0.546
48 HB12 AIB 7 HB12 AIB 7 24.478 -4.264 0.019
49 HB13 AIB 7 HB13 AIB 7 23.297 -5.556 0.336
50 HB21 AIB 7 HB21 AIB 7 22.336 -6.740 -1.547
51 HB22 AIB 7 HB22 AIB 7 23.271 -6.586 -2.976
52 HB23 AIB 7 HB23 AIB 7 21.753 -5.800 -2.856
53 H ALA 8 H ALA 8 22.900 -3.543 -3.865
54 HA ALA 8 HA ALA 8 25.140 -4.164 -5.406
55 HB1 ALA 8 HB1 ALA 8 24.524 -2.237 -6.806
56 HB2 ALA 8 HB2 ALA 8 23.395 -1.698 -5.541
57 HB3 ALA 8 HB3 ALA 8 23.116 -3.240 -6.384
58 H ALA 9 H ALA 9 24.527 -1.166 -3.550
59 HA ALA 9 HA ALA 9 27.111 -0.101 -4.100
60 HB1 ALA 9 HB1 ALA 9 26.521 1.656 -2.483
61 HB2 ALA 9 HB2 ALA 9 25.074 0.727 -2.027
62 HB3 ALA 9 HB3 ALA 9 25.230 1.377 -3.676
63 H TYR 10 H TYR 10 25.827 -2.137 -1.491
64 HA TYR 10 HA TYR 10 27.869 -1.598 0.376
65 HB2 TYR 10 HB2 TYR 10 25.664 -2.791 0.764
66 HB3 TYR 10 HB3 TYR 10 26.453 -4.235 0.083
67 HD1 TYR 10 HD1 TYR 10 26.827 -1.690 2.809
68 HD2 TYR 10 HD2 TYR 10 27.734 -5.632 1.490
69 HE1 TYR 10 HE1 TYR 10 27.798 -2.195 5.008
70 HE2 TYR 10 HE2 TYR 10 28.711 -6.146 3.687
71 HH TYR 10 HH TYR 10 28.173 -4.796 6.304
72 H ALA 11 H ALA 11 27.684 -3.809 -2.387
73 HA ALA 11 HA ALA 11 29.982 -5.319 -1.710
74 HB1 ALA 11 HB1 ALA 11 29.957 -6.050 -4.060
75 HB2 ALA 11 HB2 ALA 11 28.731 -4.811 -4.418
76 HB3 ALA 11 HB3 ALA 11 28.345 -6.150 -3.311
77 H GLN 12 H GLN 12 29.523 -2.613 -4.005
78 HA GLN 12 HA GLN 12 32.230 -2.333 -4.707
79 HB2 GLN 12 HB2 GLN 12 30.015 -1.286 -5.669
80 HB3 GLN 12 HB3 GLN 12 30.437 0.047 -4.569
81 HG2 GLN 12 HG2 GLN 12 32.651 -0.799 -6.586
82 HG3 GLN 12 HG3 GLN 12 31.056 -0.121 -6.987
83 HE21 GLN 12 HE22 GLN 12 33.934 0.373 -4.918
84 HE22 GLN 12 HE21 GLN 12 33.848 2.103 -4.914
85 H TRP 13 H TRP 13 30.341 -1.075 -2.030
86 HA TRP 13 HA TRP 13 32.073 0.873 -1.033
87 HB2 TRP 13 HB2 TRP 13 29.767 0.555 -0.185
88 HB3 TRP 13 HB3 TRP 13 30.242 -1.010 0.516
89 HD1 TRP 13 HD1 TRP 13 30.971 2.762 0.963
90 HE1 TRP 13 HE1 TRP 13 31.597 3.133 3.436
91 HE3 TRP 13 HE3 TRP 13 30.990 -2.096 2.528
92 HZ2 TRP 13 HZ2 TRP 13 32.035 1.567 5.748
93 HZ3 TRP 13 HZ3 TRP 13 31.521 -2.582 4.883
94 HH2 TRP 13 HH2 TRP 13 32.033 -0.785 6.459
95 H LEU 14 H LEU 14 31.900 -2.614 -0.324
96 HA LEU 14 HA LEU 14 34.041 -2.721 1.505
97 HB2 LEU 14 HB2 LEU 14 32.913 -4.648 -0.403
98 HB3 LEU 14 HB3 LEU 14 34.115 -5.223 0.774
99 HG LEU 14 HG LEU 14 31.380 -4.076 1.463
100 HD11 LEU 14 HD11 LEU 14 30.804 -6.362 2.130
101 HD12 LEU 14 HD12 LEU 14 31.196 -6.260 0.398
102 HD13 LEU 14 HD13 LEU 14 32.386 -6.925 1.542
103 HD21 LEU 14 HD21 LEU 14 31.874 -4.833 3.744
104 HD22 LEU 14 HD22 LEU 14 33.494 -5.351 3.219
105 HD23 LEU 14 HD23 LEU 14 33.059 -3.626 3.191
106 H ALA 15 H ALA 15 33.897 -3.135 -2.009
107 HA ALA 15 HA ALA 15 36.567 -3.874 -2.449
108 HB1 ALA 15 HB1 ALA 15 36.176 -3.199 -4.785
109 HB2 ALA 15 HB2 ALA 15 34.656 -2.422 -4.288
110 HB3 ALA 15 HB3 ALA 15 34.845 -4.185 -4.136
111 H ASP 16 H ASP 16 35.080 -0.709 -2.054
112 HA ASP 16 HA ASP 16 37.417 0.733 -2.919
113 HB2 ASP 16 HB2 ASP 16 34.683 1.444 -2.546
114 HB3 ASP 16 HB3 ASP 16 35.656 2.168 -1.242
115 H DAL 17 H DAL 17 36.738 -0.940 -0.100
116 HA DAL 17 HA DAL 17 38.679 0.687 1.400
117 HB1 DAL 17 HB1 DAL 17 39.250 -1.377 2.612
118 HB2 DAL 17 HB2 DAL 17 39.504 -1.529 0.858
119 HB3 DAL 17 HB3 DAL 17 38.074 -2.267 1.616
120 H GLY 18 H GLY 18 35.440 0.310 1.297
121 HA2 GLY 18 HA2 GLY 18 33.712 0.564 2.787
122 HA3 GLY 18 HA3 GLY 18 34.725 -0.283 3.979
123 H TRP 19 H TRP 19 35.331 0.849 5.702
124 HA TRP 19 HA TRP 19 34.650 3.607 5.954
125 HB2 TRP 19 HB2 TRP 19 36.123 1.664 7.762
126 HB3 TRP 19 HB3 TRP 19 35.883 3.372 8.200
127 HD1 TRP 19 HD1 TRP 19 34.349 0.118 8.679
128 HE1 TRP 19 HE1 TRP 19 31.905 0.348 9.449
129 HE3 TRP 19 HE3 TRP 19 33.598 5.049 7.548
130 HZ2 TRP 19 HZ2 TRP 19 29.921 2.352 9.563
131 HZ3 TRP 19 HZ3 TRP 19 31.399 6.044 8.018
132 HH2 TRP 19 HH2 TRP 19 29.598 4.722 9.004
133 H ALA 20 H ALA 20 37.638 1.847 5.334
134 HA ALA 20 HA ALA 20 39.210 4.306 5.433
135 HB1 ALA 20 HB1 ALA 20 41.152 2.834 5.078
136 HB2 ALA 20 HB2 ALA 20 40.054 1.443 4.936
137 HB3 ALA 20 HB3 ALA 20 40.173 2.328 6.475
138 H SER 21 H SER 21 37.270 4.336 3.432
139 HA SER 21 HA SER 21 38.648 3.697 0.936
140 HB2 SER 21 HB2 SER 21 36.344 2.991 1.029
141 HB3 SER 21 HB3 SER 21 35.820 4.618 1.519
142 HG SER 21 HG SER 21 37.058 3.970 -0.970
Start of MODEL 4
1 H1 ARG 1 H1 ARG 1 32.550 8.037 1.632
2 H2 ARG 1 H2 ARG 1 32.078 8.953 2.722
3 H3 ARG 1 H3 ARG 1 32.615 7.594 3.063
4 HA ARG 1 HA ARG 1 29.874 8.200 2.592
5 HB2 ARG 1 HB2 ARG 1 29.385 6.490 0.839
6 HB3 ARG 1 HB3 ARG 1 30.258 7.936 0.280
7 HG2 ARG 1 HG2 ARG 1 32.307 6.750 0.083
8 HG3 ARG 1 HG3 ARG 1 31.680 5.364 1.007
9 HD2 ARG 1 HD2 ARG 1 30.536 4.506 -0.788
10 HD3 ARG 1 HD3 ARG 1 30.235 6.109 -1.500
11 HE ARG 1 HE ARG 1 32.545 4.401 -1.922
12 HH11 ARG 1 HH11 ARG 1 31.157 7.596 -2.280
13 HH12 ARG 1 HH12 ARG 1 32.268 8.067 -3.551
14 HH21 ARG 1 HH21 ARG 1 33.993 5.010 -3.572
15 HH22 ARG 1 HH22 ARG 1 33.867 6.609 -4.279
16 HA PRO 2 HA PRO 2 29.841 4.768 5.440
17 HB2 PRO 2 HB2 PRO 2 27.266 4.967 6.272
18 HB3 PRO 2 HB3 PRO 2 28.458 6.203 6.700
19 HG2 PRO 2 HG2 PRO 2 26.317 6.270 4.570
20 HG3 PRO 2 HG3 PRO 2 26.890 7.571 5.622
21 HD2 PRO 2 HD2 PRO 2 27.692 7.192 2.946
22 HD3 PRO 2 HD3 PRO 2 28.562 8.179 4.127
23 HA PRO 3 HA PRO 3 28.390 1.047 3.533
24 HB2 PRO 3 HB2 PRO 3 26.705 0.483 5.949
25 HB3 PRO 3 HB3 PRO 3 27.951 -0.523 5.199
26 HG2 PRO 3 HG2 PRO 3 28.365 0.862 7.512
27 HG3 PRO 3 HG3 PRO 3 29.668 0.487 6.376
28 HD2 PRO 3 HD2 PRO 3 28.374 3.114 6.946
29 HD3 PRO 3 HD3 PRO 3 29.958 2.780 6.234
30 HA PRO 4 HA PRO 4 24.361 2.558 2.139
31 HB2 PRO 4 HB2 PRO 4 24.402 1.408 -0.327
32 HB3 PRO 4 HB3 PRO 4 25.359 2.850 0.041
33 HG2 PRO 4 HG2 PRO 4 26.237 -0.046 -0.073
34 HG3 PRO 4 HG3 PRO 4 27.067 1.396 -0.673
35 HD2 PRO 4 HD2 PRO 4 27.693 0.175 1.744
36 HD3 PRO 4 HD3 PRO 4 27.990 1.889 1.426
37 H SER 5 H SER 5 22.322 1.677 1.989
38 HA SER 5 HA SER 5 21.841 -0.828 3.171
39 HB2 SER 5 HB2 SER 5 20.028 0.979 1.552
40 HB3 SER 5 HB3 SER 5 19.466 -0.470 2.416
41 HG SER 5 HG SER 5 19.227 1.460 3.670
42 H ASP 6 H ASP 6 21.266 0.178 -0.214
43 HA ASP 6 HA ASP 6 20.434 -2.150 -1.332
44 HB2 ASP 6 HB2 ASP 6 20.805 0.073 -2.590
45 HB3 ASP 6 HB3 ASP 6 22.516 -0.405 -2.467
46 H AIB 7 H AIB 7 21.239 -4.087 -1.923
47 HB11 AIB 7 HB11 AIB 7 24.401 -5.970 -0.116
48 HB12 AIB 7 HB12 AIB 7 24.149 -4.232 0.171
49 HB13 AIB 7 HB13 AIB 7 22.844 -5.390 0.518
50 HB21 AIB 7 HB21 AIB 7 22.130 -6.843 -1.267
51 HB22 AIB 7 HB22 AIB 7 23.071 -6.841 -2.701
52 HB23 AIB 7 HB23 AIB 7 21.567 -6.020 -2.662
53 H ALA 8 H ALA 8 23.052 -4.015 -3.988
54 HA ALA 8 HA ALA 8 25.427 -5.001 -5.078
55 HB1 ALA 8 HB1 ALA 8 25.148 -3.294 -6.831
56 HB2 ALA 8 HB2 ALA 8 23.904 -2.500 -5.839
57 HB3 ALA 8 HB3 ALA 8 23.625 -4.141 -6.468
58 H ALA 9 H ALA 9 24.785 -1.751 -3.723
59 HA ALA 9 HA ALA 9 27.416 -0.814 -4.249
60 HB1 ALA 9 HB1 ALA 9 26.777 1.151 -2.916
61 HB2 ALA 9 HB2 ALA 9 25.293 0.309 -2.415
62 HB3 ALA 9 HB3 ALA 9 25.542 0.729 -4.126
63 H TYR 10 H TYR 10 25.925 -2.434 -1.529
64 HA TYR 10 HA TYR 10 27.756 -1.758 0.484
65 HB2 TYR 10 HB2 TYR 10 25.602 -2.812 0.926
66 HB3 TYR 10 HB3 TYR 10 26.160 -4.295 0.112
67 HD1 TYR 10 HD1 TYR 10 26.870 -2.085 3.039
68 HD2 TYR 10 HD2 TYR 10 27.290 -5.963 1.349
69 HE1 TYR 10 HE1 TYR 10 27.764 -2.914 5.175
70 HE2 TYR 10 HE2 TYR 10 28.190 -6.802 3.475
71 HH TYR 10 HH TYR 10 28.558 -4.660 6.288
72 H ALA 11 H ALA 11 27.929 -4.119 -2.105
73 HA ALA 11 HA ALA 11 30.122 -5.603 -1.051
74 HB1 ALA 11 HB1 ALA 11 30.265 -6.598 -3.300
75 HB2 ALA 11 HB2 ALA 11 29.082 -5.406 -3.887
76 HB3 ALA 11 HB3 ALA 11 28.601 -6.609 -2.667
77 H GLN 12 H GLN 12 29.875 -3.150 -3.648
78 HA GLN 12 HA GLN 12 32.637 -2.977 -4.166
79 HB2 GLN 12 HB2 GLN 12 30.528 -2.018 -5.414
80 HB3 GLN 12 HB3 GLN 12 30.883 -0.579 -4.429
81 HG2 GLN 12 HG2 GLN 12 32.953 -1.757 -6.495
82 HG3 GLN 12 HG3 GLN 12 31.691 -0.504 -6.554
83 HE21 GLN 12 HE22 GLN 12 34.903 -1.340 -5.554
84 HE22 GLN 12 HE21 GLN 12 35.329 0.194 -4.871
85 H TRP 13 H TRP 13 30.560 -1.392 -1.811
86 HA TRP 13 HA TRP 13 32.246 0.633 -0.911
87 HB2 TRP 13 HB2 TRP 13 29.883 0.443 -0.202
88 HB3 TRP 13 HB3 TRP 13 30.270 -1.043 0.699
89 HD1 TRP 13 HD1 TRP 13 30.853 2.760 0.829
90 HE1 TRP 13 HE1 TRP 13 31.367 3.381 3.273
91 HE3 TRP 13 HE3 TRP 13 31.110 -1.929 2.811
92 HZ2 TRP 13 HZ2 TRP 13 31.817 2.050 5.727
93 HZ3 TRP 13 HZ3 TRP 13 31.592 -2.182 5.211
94 HH2 TRP 13 HH2 TRP 13 31.941 -0.229 6.638
95 H LEU 14 H LEU 14 32.029 -2.777 0.085
96 HA LEU 14 HA LEU 14 34.026 -2.697 2.084
97 HB2 LEU 14 HB2 LEU 14 33.014 -4.790 0.293
98 HB3 LEU 14 HB3 LEU 14 34.157 -5.258 1.573
99 HG LEU 14 HG LEU 14 31.381 -4.076 2.016
100 HD11 LEU 14 HD11 LEU 14 30.801 -6.291 2.889
101 HD12 LEU 14 HD12 LEU 14 31.281 -6.366 1.177
102 HD13 LEU 14 HD13 LEU 14 32.418 -6.885 2.445
103 HD21 LEU 14 HD21 LEU 14 31.771 -4.587 4.385
104 HD22 LEU 14 HD22 LEU 14 33.420 -5.134 3.995
105 HD23 LEU 14 HD23 LEU 14 32.971 -3.426 3.769
106 H ALA 15 H ALA 15 34.122 -3.488 -1.370
107 HA ALA 15 HA ALA 15 36.797 -4.251 -1.581
108 HB1 ALA 15 HB1 ALA 15 36.573 -3.749 -3.981
109 HB2 ALA 15 HB2 ALA 15 35.038 -2.916 -3.646
110 HB3 ALA 15 HB3 ALA 15 35.184 -4.664 -3.350
111 H ASP 16 H ASP 16 35.365 -1.052 -1.425
112 HA ASP 16 HA ASP 16 37.846 0.254 -2.192
113 HB2 ASP 16 HB2 ASP 16 35.100 1.019 -2.345
114 HB3 ASP 16 HB3 ASP 16 35.889 1.904 -1.016
115 H DAL 17 H DAL 17 37.408 -1.346 0.434
116 HA DAL 17 HA DAL 17 38.910 0.478 2.093
117 HB1 DAL 17 HB1 DAL 17 39.125 -1.432 3.628
118 HB2 DAL 17 HB2 DAL 17 39.601 -1.845 1.964
119 HB3 DAL 17 HB3 DAL 17 38.020 -2.368 2.593
120 H GLY 18 H GLY 18 35.607 -0.311 1.724
121 HA2 GLY 18 HA2 GLY 18 33.717 0.290 2.882
122 HA3 GLY 18 HA3 GLY 18 34.625 -0.157 4.346
123 H TRP 19 H TRP 19 35.263 1.406 5.708
124 HA TRP 19 HA TRP 19 34.228 4.029 5.403
125 HB2 TRP 19 HB2 TRP 19 36.004 2.696 7.447
126 HB3 TRP 19 HB3 TRP 19 35.730 4.453 7.502
127 HD1 TRP 19 HD1 TRP 19 34.351 1.346 8.819
128 HE1 TRP 19 HE1 TRP 19 31.971 1.704 9.729
129 HE3 TRP 19 HE3 TRP 19 33.368 5.908 6.736
130 HZ2 TRP 19 HZ2 TRP 19 29.943 3.666 9.582
131 HZ3 TRP 19 HZ3 TRP 19 31.187 6.958 7.168
132 HH2 TRP 19 HH2 TRP 19 29.510 5.858 8.562
133 H ALA 20 H ALA 20 37.300 2.587 4.619
134 HA ALA 20 HA ALA 20 38.571 5.187 4.227
135 HB1 ALA 20 HB1 ALA 20 40.589 3.882 3.690
136 HB2 ALA 20 HB2 ALA 20 39.648 2.382 3.858
137 HB3 ALA 20 HB3 ALA 20 39.903 3.434 5.270
138 H SER 21 H SER 21 36.336 4.764 2.593
139 HA SER 21 HA SER 21 37.380 4.039 -0.041
140 HB2 SER 21 HB2 SER 21 35.270 3.027 0.424
141 HB3 SER 21 HB3 SER 21 34.584 4.567 0.992
142 HG SER 21 HG SER 21 35.507 4.208 -1.673
Start of MODEL 5
1 H1 ARG 1 H1 ARG 1 32.385 7.852 1.706
2 H2 ARG 1 H2 ARG 1 32.153 8.691 2.927
3 H3 ARG 1 H3 ARG 1 32.645 7.281 3.068
4 HA ARG 1 HA ARG 1 29.910 8.069 3.098
5 HB2 ARG 1 HB2 ARG 1 28.985 6.684 1.310
6 HB3 ARG 1 HB3 ARG 1 30.044 7.975 0.696
7 HG2 ARG 1 HG2 ARG 1 31.878 6.310 0.463
8 HG3 ARG 1 HG3 ARG 1 30.752 5.034 0.984
9 HD2 ARG 1 HD2 ARG 1 30.280 6.821 -1.424
10 HD3 ARG 1 HD3 ARG 1 31.067 5.228 -1.517
11 HE ARG 1 HE ARG 1 29.016 4.211 -1.001
12 HH11 ARG 1 HH11 ARG 1 28.716 7.702 -1.157
13 HH12 ARG 1 HH12 ARG 1 26.968 7.661 -1.283
14 HH21 ARG 1 HH21 ARG 1 26.750 4.161 -1.166
15 HH22 ARG 1 HH22 ARG 1 25.862 5.667 -1.287
16 HA PRO 2 HA PRO 2 30.024 4.429 5.647
17 HB2 PRO 2 HB2 PRO 2 27.506 4.532 6.657
18 HB3 PRO 2 HB3 PRO 2 28.714 5.748 7.094
19 HG2 PRO 2 HG2 PRO 2 26.454 5.935 5.093
20 HG3 PRO 2 HG3 PRO 2 27.047 7.156 6.227
21 HD2 PRO 2 HD2 PRO 2 27.726 7.067 3.508
22 HD3 PRO 2 HD3 PRO 2 28.679 7.905 4.739
23 HA PRO 3 HA PRO 3 28.476 0.826 3.610
24 HB2 PRO 3 HB2 PRO 3 26.955 0.033 6.061
25 HB3 PRO 3 HB3 PRO 3 28.214 -0.856 5.193
26 HG2 PRO 3 HG2 PRO 3 28.638 0.410 7.586
27 HG3 PRO 3 HG3 PRO 3 29.918 0.119 6.402
28 HD2 PRO 3 HD2 PRO 3 28.606 2.684 7.146
29 HD3 PRO 3 HD3 PRO 3 30.162 2.415 6.350
30 HA PRO 4 HA PRO 4 24.320 2.299 2.610
31 HB2 PRO 4 HB2 PRO 4 24.217 1.340 0.067
32 HB3 PRO 4 HB3 PRO 4 25.173 2.770 0.477
33 HG2 PRO 4 HG2 PRO 4 26.087 -0.084 0.070
34 HG3 PRO 4 HG3 PRO 4 26.858 1.420 -0.449
35 HD2 PRO 4 HD2 PRO 4 27.626 -0.011 1.820
36 HD3 PRO 4 HD3 PRO 4 27.931 1.718 1.607
37 H SER 5 H SER 5 22.287 1.355 2.459
38 HA SER 5 HA SER 5 21.973 -1.245 3.509
39 HB2 SER 5 HB2 SER 5 19.992 0.609 2.164
40 HB3 SER 5 HB3 SER 5 19.540 -0.920 2.952
41 HG SER 5 HG SER 5 19.336 0.902 4.364
42 H ASP 6 H ASP 6 21.127 -0.029 0.243
43 HA ASP 6 HA ASP 6 20.283 -2.342 -0.932
44 HB2 ASP 6 HB2 ASP 6 20.686 0.142 -1.958
45 HB3 ASP 6 HB3 ASP 6 22.194 -0.703 -2.389
46 H AIB 7 H AIB 7 21.164 -4.122 -1.912
47 HB11 AIB 7 HB11 AIB 7 24.531 -5.971 -0.479
48 HB12 AIB 7 HB12 AIB 7 24.196 -4.287 -0.013
49 HB13 AIB 7 HB13 AIB 7 22.988 -5.554 0.299
50 HB21 AIB 7 HB21 AIB 7 22.185 -6.854 -1.575
51 HB22 AIB 7 HB22 AIB 7 23.133 -6.720 -2.998
52 HB23 AIB 7 HB23 AIB 7 21.596 -5.964 -2.917
53 H ALA 8 H ALA 8 22.809 -3.709 -4.020
54 HA ALA 8 HA ALA 8 25.119 -4.454 -5.396
55 HB1 ALA 8 HB1 ALA 8 24.642 -2.569 -6.907
56 HB2 ALA 8 HB2 ALA 8 23.459 -1.948 -5.734
57 HB3 ALA 8 HB3 ALA 8 23.182 -3.514 -6.531
58 H ALA 9 H ALA 9 24.485 -1.394 -3.650
59 HA ALA 9 HA ALA 9 27.054 -0.327 -4.230
60 HB1 ALA 9 HB1 ALA 9 26.463 1.460 -2.650
61 HB2 ALA 9 HB2 ALA 9 25.034 0.526 -2.152
62 HB3 ALA 9 HB3 ALA 9 25.161 1.137 -3.819
63 H TYR 10 H TYR 10 25.785 -2.288 -1.625
64 HA TYR 10 HA TYR 10 27.724 -1.769 0.336
65 HB2 TYR 10 HB2 TYR 10 25.555 -2.987 0.640
66 HB3 TYR 10 HB3 TYR 10 26.316 -4.394 -0.142
67 HD1 TYR 10 HD1 TYR 10 28.206 -5.557 1.001
68 HD2 TYR 10 HD2 TYR 10 26.037 -2.456 2.938
69 HE1 TYR 10 HE1 TYR 10 29.126 -6.274 3.167
70 HE2 TYR 10 HE2 TYR 10 26.945 -3.167 5.110
71 HH TYR 10 HH TYR 10 28.021 -5.810 5.880
72 H ALA 11 H ALA 11 27.778 -3.857 -2.488
73 HA ALA 11 HA ALA 11 30.080 -5.362 -1.745
74 HB1 ALA 11 HB1 ALA 11 30.099 -6.106 -4.093
75 HB2 ALA 11 HB2 ALA 11 28.850 -4.897 -4.471
76 HB3 ALA 11 HB3 ALA 11 28.482 -6.239 -3.361
77 H GLN 12 H GLN 12 29.594 -2.667 -4.047
78 HA GLN 12 HA GLN 12 32.306 -2.339 -4.721
79 HB2 GLN 12 HB2 GLN 12 30.085 -1.340 -5.718
80 HB3 GLN 12 HB3 GLN 12 30.466 0.005 -4.617
81 HG2 GLN 12 HG2 GLN 12 31.673 0.652 -6.805
82 HG3 GLN 12 HG3 GLN 12 32.650 -0.045 -5.492
83 HE21 GLN 12 HE22 GLN 12 34.279 -1.060 -6.517
84 HE22 GLN 12 HE21 GLN 12 34.084 -2.249 -7.762
85 H TRP 13 H TRP 13 30.364 -1.113 -2.067
86 HA TRP 13 HA TRP 13 32.053 0.883 -1.080
87 HB2 TRP 13 HB2 TRP 13 29.744 0.563 -0.261
88 HB3 TRP 13 HB3 TRP 13 30.209 -0.998 0.456
89 HD1 TRP 13 HD1 TRP 13 30.788 2.784 0.939
90 HE1 TRP 13 HE1 TRP 13 31.407 3.161 3.410
91 HE3 TRP 13 HE3 TRP 13 31.106 -2.082 2.439
92 HZ2 TRP 13 HZ2 TRP 13 31.953 1.595 5.698
93 HZ3 TRP 13 HZ3 TRP 13 31.686 -2.567 4.782
94 HH2 TRP 13 HH2 TRP 13 32.102 -0.762 6.377
95 H LEU 14 H LEU 14 31.969 -2.612 -0.422
96 HA LEU 14 HA LEU 14 34.073 -2.677 1.465
97 HB2 LEU 14 HB2 LEU 14 33.003 -4.612 -0.464
98 HB3 LEU 14 HB3 LEU 14 34.222 -5.172 0.704
99 HG LEU 14 HG LEU 14 31.452 -4.110 1.401
100 HD11 LEU 14 HD11 LEU 14 30.967 -6.416 2.076
101 HD12 LEU 14 HD12 LEU 14 31.357 -6.307 0.343
102 HD13 LEU 14 HD13 LEU 14 32.570 -6.919 1.492
103 HD21 LEU 14 HD21 LEU 14 31.975 -4.839 3.685
104 HD22 LEU 14 HD22 LEU 14 33.613 -5.302 3.162
105 HD23 LEU 14 HD23 LEU 14 33.117 -3.593 3.128
106 H ALA 15 H ALA 15 33.983 -3.038 -2.052
107 HA ALA 15 HA ALA 15 36.632 -3.777 -2.510
108 HB1 ALA 15 HB1 ALA 15 36.284 -2.958 -4.807
109 HB2 ALA 15 HB2 ALA 15 34.779 -2.170 -4.279
110 HB3 ALA 15 HB3 ALA 15 34.920 -3.943 -4.225
111 H ASP 16 H ASP 16 35.241 -0.584 -1.957
112 HA ASP 16 HA ASP 16 37.692 0.777 -2.675
113 HB2 ASP 16 HB2 ASP 16 34.961 1.594 -2.489
114 HB3 ASP 16 HB3 ASP 16 35.885 2.284 -1.132
115 H DAL 17 H DAL 17 36.980 -1.028 -0.052
116 HA DAL 17 HA DAL 17 38.744 0.571 1.664
117 HB1 DAL 17 HB1 DAL 17 39.200 -1.536 2.852
118 HB2 DAL 17 HB2 DAL 17 39.575 -1.645 1.116
119 HB3 DAL 17 HB3 DAL 17 38.084 -2.380 1.752
120 H GLY 18 H GLY 18 35.532 0.282 1.307
121 HA2 GLY 18 HA2 GLY 18 33.691 0.494 2.669
122 HA3 GLY 18 HA3 GLY 18 34.608 -0.377 3.919
123 H TRP 19 H TRP 19 35.262 0.725 5.658
124 HA TRP 19 HA TRP 19 34.490 3.453 5.975
125 HB2 TRP 19 HB2 TRP 19 35.942 1.464 7.733
126 HB3 TRP 19 HB3 TRP 19 35.776 3.168 8.218
127 HD1 TRP 19 HD1 TRP 19 34.110 -0.029 8.635
128 HE1 TRP 19 HE1 TRP 19 31.676 0.284 9.410
129 HE3 TRP 19 HE3 TRP 19 33.559 4.948 7.599
130 HZ2 TRP 19 HZ2 TRP 19 29.774 2.366 9.562
131 HZ3 TRP 19 HZ3 TRP 19 31.402 6.022 8.087
132 HH2 TRP 19 HH2 TRP 19 29.548 4.757 9.048
133 H ALA 20 H ALA 20 37.497 1.821 5.205
134 HA ALA 20 HA ALA 20 39.022 4.302 5.454
135 HB1 ALA 20 HB1 ALA 20 40.988 2.901 4.974
136 HB2 ALA 20 HB2 ALA 20 39.918 1.496 4.760
137 HB3 ALA 20 HB3 ALA 20 40.046 2.283 6.351
138 H SER 21 H SER 21 37.036 4.389 3.488
139 HA SER 21 HA SER 21 38.398 3.967 0.937
140 HB2 SER 21 HB2 SER 21 36.124 3.153 1.032
141 HB3 SER 21 HB3 SER 21 35.543 4.735 1.600
142 HG SER 21 HG SER 21 35.186 4.532 -0.634
Start of MODEL 6
1 H1 ARG 1 H1 ARG 1 32.166 8.071 1.840
2 H2 ARG 1 H2 ARG 1 31.737 8.876 3.030
3 H3 ARG 1 H3 ARG 1 32.387 7.538 3.225
4 HA ARG 1 HA ARG 1 29.580 7.981 3.038
5 HB2 ARG 1 HB2 ARG 1 28.922 6.587 1.189
6 HB3 ARG 1 HB3 ARG 1 29.994 7.891 0.630
7 HG2 ARG 1 HG2 ARG 1 31.873 6.332 0.515
8 HG3 ARG 1 HG3 ARG 1 30.847 5.022 1.148
9 HD2 ARG 1 HD2 ARG 1 29.623 4.847 -0.829
10 HD3 ARG 1 HD3 ARG 1 30.030 6.500 -1.345
11 HE ARG 1 HE ARG 1 31.565 4.100 -1.791
12 HH11 ARG 1 HH11 ARG 1 31.667 7.596 -1.623
13 HH12 ARG 1 HH12 ARG 1 33.098 7.722 -2.628
14 HH21 ARG 1 HH21 ARG 1 33.425 4.259 -3.097
15 HH22 ARG 1 HH22 ARG 1 34.088 5.840 -3.459
16 HA PRO 2 HA PRO 2 30.027 4.363 5.607
17 HB2 PRO 2 HB2 PRO 2 27.560 4.376 6.732
18 HB3 PRO 2 HB3 PRO 2 28.737 5.642 7.111
19 HG2 PRO 2 HG2 PRO 2 26.363 5.739 5.247
20 HG3 PRO 2 HG3 PRO 2 26.999 6.997 6.316
21 HD2 PRO 2 HD2 PRO 2 27.502 6.822 3.541
22 HD3 PRO 2 HD3 PRO 2 28.450 7.787 4.680
23 HA PRO 3 HA PRO 3 28.473 0.715 3.654
24 HB2 PRO 3 HB2 PRO 3 27.006 -0.083 6.138
25 HB3 PRO 3 HB3 PRO 3 28.258 -0.963 5.250
26 HG2 PRO 3 HG2 PRO 3 28.724 0.313 7.625
27 HG3 PRO 3 HG3 PRO 3 29.979 0.055 6.406
28 HD2 PRO 3 HD2 PRO 3 28.608 2.587 7.179
29 HD3 PRO 3 HD3 PRO 3 30.167 2.361 6.377
30 HA PRO 4 HA PRO 4 24.290 2.158 2.715
31 HB2 PRO 4 HB2 PRO 4 24.168 1.213 0.169
32 HB3 PRO 4 HB3 PRO 4 25.105 2.657 0.576
33 HG2 PRO 4 HG2 PRO 4 26.064 -0.187 0.164
34 HG3 PRO 4 HG3 PRO 4 26.787 1.325 -0.400
35 HD2 PRO 4 HD2 PRO 4 27.688 -0.031 1.842
36 HD3 PRO 4 HD3 PRO 4 27.870 1.717 1.645
37 H SER 5 H SER 5 22.273 1.183 2.627
38 HA SER 5 HA SER 5 22.024 -1.448 3.612
39 HB2 SER 5 HB2 SER 5 19.987 0.414 2.364
40 HB3 SER 5 HB3 SER 5 19.574 -1.143 3.118
41 HG SER 5 HG SER 5 19.373 0.636 4.585
42 H ASP 6 H ASP 6 21.140 -0.130 0.403
43 HA ASP 6 HA ASP 6 20.281 -2.358 -0.884
44 HB2 ASP 6 HB2 ASP 6 20.506 -0.004 -1.923
45 HB3 ASP 6 HB3 ASP 6 22.230 -0.447 -1.985
46 H AIB 7 H AIB 7 21.093 -4.188 -1.761
47 HB11 AIB 7 HB11 AIB 7 24.520 -6.239 -0.592
48 HB12 AIB 7 HB12 AIB 7 24.320 -4.578 0.016
49 HB13 AIB 7 HB13 AIB 7 23.085 -5.810 0.369
50 HB21 AIB 7 HB21 AIB 7 21.856 -6.812 -1.364
51 HB22 AIB 7 HB22 AIB 7 22.741 -6.848 -2.833
52 HB23 AIB 7 HB23 AIB 7 21.328 -5.885 -2.706
53 H ALA 8 H ALA 8 22.736 -3.837 -3.922
54 HA ALA 8 HA ALA 8 25.048 -4.604 -5.287
55 HB1 ALA 8 HB1 ALA 8 24.582 -2.730 -6.814
56 HB2 ALA 8 HB2 ALA 8 23.394 -2.097 -5.651
57 HB3 ALA 8 HB3 ALA 8 23.118 -3.669 -6.437
58 H ALA 9 H ALA 9 24.410 -1.540 -3.555
59 HA ALA 9 HA ALA 9 26.947 -0.440 -4.195
60 HB1 ALA 9 HB1 ALA 9 26.362 1.350 -2.616
61 HB2 ALA 9 HB2 ALA 9 24.962 0.396 -2.075
62 HB3 ALA 9 HB3 ALA 9 25.037 0.995 -3.749
63 H TYR 10 H TYR 10 25.772 -2.390 -1.536
64 HA TYR 10 HA TYR 10 27.738 -1.816 0.375
65 HB2 TYR 10 HB2 TYR 10 25.682 -3.018 0.887
66 HB3 TYR 10 HB3 TYR 10 26.230 -4.387 -0.111
67 HD1 TYR 10 HD1 TYR 10 27.087 -2.428 2.951
68 HD2 TYR 10 HD2 TYR 10 27.550 -6.101 0.858
69 HE1 TYR 10 HE1 TYR 10 28.202 -3.400 4.914
70 HE2 TYR 10 HE2 TYR 10 28.672 -7.081 2.812
71 HH TYR 10 HH TYR 10 29.371 -6.758 4.891
72 H ALA 11 H ALA 11 27.792 -3.921 -2.435
73 HA ALA 11 HA ALA 11 30.132 -5.380 -1.719
74 HB1 ALA 11 HB1 ALA 11 30.131 -6.131 -4.063
75 HB2 ALA 11 HB2 ALA 11 28.857 -4.946 -4.428
76 HB3 ALA 11 HB3 ALA 11 28.527 -6.289 -3.310
77 H GLN 12 H GLN 12 29.566 -2.723 -4.048
78 HA GLN 12 HA GLN 12 32.259 -2.342 -4.755
79 HB2 GLN 12 HB2 GLN 12 30.008 -1.395 -5.727
80 HB3 GLN 12 HB3 GLN 12 30.374 -0.035 -4.639
81 HG2 GLN 12 HG2 GLN 12 31.539 0.626 -6.847
82 HG3 GLN 12 HG3 GLN 12 32.548 -0.045 -5.544
83 HE21 GLN 12 HE22 GLN 12 34.190 -0.991 -6.636
84 HE22 GLN 12 HE21 GLN 12 33.994 -2.208 -7.853
85 H TRP 13 H TRP 13 30.332 -1.125 -2.084
86 HA TRP 13 HA TRP 13 31.993 0.909 -1.135
87 HB2 TRP 13 HB2 TRP 13 29.704 0.541 -0.278
88 HB3 TRP 13 HB3 TRP 13 30.216 -1.005 0.440
89 HD1 TRP 13 HD1 TRP 13 30.713 2.789 0.887
90 HE1 TRP 13 HE1 TRP 13 31.353 3.202 3.347
91 HE3 TRP 13 HE3 TRP 13 31.169 -2.055 2.418
92 HZ2 TRP 13 HZ2 TRP 13 31.966 1.667 5.640
93 HZ3 TRP 13 HZ3 TRP 13 31.791 -2.507 4.757
94 HH2 TRP 13 HH2 TRP 13 32.183 -0.682 6.334
95 H LEU 14 H LEU 14 31.995 -2.584 -0.456
96 HA LEU 14 HA LEU 14 34.134 -2.586 1.394
97 HB2 LEU 14 HB2 LEU 14 33.074 -4.560 -0.503
98 HB3 LEU 14 HB3 LEU 14 34.328 -5.084 0.645
99 HG LEU 14 HG LEU 14 31.547 -4.083 1.387
100 HD11 LEU 14 HD11 LEU 14 31.130 -6.395 2.086
101 HD12 LEU 14 HD12 LEU 14 31.487 -6.290 0.346
102 HD13 LEU 14 HD13 LEU 14 32.735 -6.862 1.478
103 HD21 LEU 14 HD21 LEU 14 32.130 -4.781 3.667
104 HD22 LEU 14 HD22 LEU 14 33.768 -5.208 3.115
105 HD23 LEU 14 HD23 LEU 14 33.231 -3.512 3.079
106 H ALA 15 H ALA 15 33.987 -2.988 -2.119
107 HA ALA 15 HA ALA 15 36.665 -3.636 -2.599
108 HB1 ALA 15 HB1 ALA 15 36.240 -2.911 -4.915
109 HB2 ALA 15 HB2 ALA 15 34.707 -2.181 -4.387
110 HB3 ALA 15 HB3 ALA 15 34.937 -3.942 -4.279
111 H ASP 16 H ASP 16 35.131 -0.521 -2.063
112 HA ASP 16 HA ASP 16 37.462 0.973 -2.901
113 HB2 ASP 16 HB2 ASP 16 34.668 1.642 -2.369
114 HB3 ASP 16 HB3 ASP 16 35.814 2.517 -1.325
115 H DAL 17 H DAL 17 36.830 -0.798 -0.173
116 HA DAL 17 HA DAL 17 38.666 0.854 1.422
117 HB1 DAL 17 HB1 DAL 17 39.251 -1.224 2.604
118 HB2 DAL 17 HB2 DAL 17 39.550 -1.337 0.854
119 HB3 DAL 17 HB3 DAL 17 38.117 -2.117 1.564
120 H GLY 18 H GLY 18 35.460 0.476 1.207
121 HA2 GLY 18 HA2 GLY 18 33.678 0.704 2.636
122 HA3 GLY 18 HA3 GLY 18 34.621 -0.234 3.817
123 H TRP 19 H TRP 19 35.341 0.783 5.579
124 HA TRP 19 HA TRP 19 34.635 3.517 6.022
125 HB2 TRP 19 HB2 TRP 19 36.121 1.464 7.693
126 HB3 TRP 19 HB3 TRP 19 35.862 3.136 8.245
127 HD1 TRP 19 HD1 TRP 19 34.350 -0.163 8.476
128 HE1 TRP 19 HE1 TRP 19 31.902 -0.005 9.255
129 HE3 TRP 19 HE3 TRP 19 33.579 4.835 7.722
130 HZ2 TRP 19 HZ2 TRP 19 29.907 1.978 9.513
131 HZ3 TRP 19 HZ3 TRP 19 31.373 5.783 8.259
132 HH2 TRP 19 HH2 TRP 19 29.575 4.382 9.135
133 H ALA 20 H ALA 20 37.598 1.823 5.185
134 HA ALA 20 HA ALA 20 39.182 4.260 5.489
135 HB1 ALA 20 HB1 ALA 20 41.114 2.822 4.985
136 HB2 ALA 20 HB2 ALA 20 40.011 1.448 4.743
137 HB3 ALA 20 HB3 ALA 20 40.153 2.202 6.348
138 H SER 21 H SER 21 37.205 4.434 3.512
139 HA SER 21 HA SER 21 38.589 4.041 0.966
140 HB2 SER 21 HB2 SER 21 36.284 3.255 1.074
141 HB3 SER 21 HB3 SER 21 35.739 4.871 1.577
142 HG SER 21 HG SER 21 35.692 5.408 -0.458
Start of MODEL 7
1 H1 ARG 1 H1 ARG 1 33.090 7.576 1.122
2 H2 ARG 1 H2 ARG 1 32.937 8.579 2.228
3 H3 ARG 1 H3 ARG 1 33.236 7.145 2.553
4 HA ARG 1 HA ARG 1 30.626 8.272 2.374
5 HB2 ARG 1 HB2 ARG 1 29.578 6.818 0.716
6 HB3 ARG 1 HB3 ARG 1 30.819 7.878 0.007
7 HG2 ARG 1 HG2 ARG 1 32.406 6.013 -0.047
8 HG3 ARG 1 HG3 ARG 1 31.198 4.947 0.709
9 HD2 ARG 1 HD2 ARG 1 29.740 5.146 -1.222
10 HD3 ARG 1 HD3 ARG 1 30.819 6.354 -1.958
11 HE ARG 1 HE ARG 1 32.381 4.632 -2.401
12 HH11 ARG 1 HH11 ARG 1 29.377 3.417 -1.060
13 HH12 ARG 1 HH12 ARG 1 29.654 1.780 -1.625
14 HH21 ARG 1 HH21 ARG 1 32.732 2.511 -3.139
15 HH22 ARG 1 HH22 ARG 1 31.543 1.272 -2.795
16 HA PRO 2 HA PRO 2 30.111 5.001 5.326
17 HB2 PRO 2 HB2 PRO 2 27.500 5.373 5.987
18 HB3 PRO 2 HB3 PRO 2 28.736 6.562 6.422
19 HG2 PRO 2 HG2 PRO 2 26.751 6.620 4.143
20 HG3 PRO 2 HG3 PRO 2 27.293 7.940 5.185
21 HD2 PRO 2 HD2 PRO 2 28.282 7.472 2.609
22 HD3 PRO 2 HD3 PRO 2 29.154 8.385 3.847
23 HA PRO 3 HA PRO 3 28.516 1.266 3.573
24 HB2 PRO 3 HB2 PRO 3 26.780 0.778 5.947
25 HB3 PRO 3 HB3 PRO 3 28.107 -0.207 5.317
26 HG2 PRO 3 HG2 PRO 3 28.293 1.328 7.588
27 HG3 PRO 3 HG3 PRO 3 29.687 0.871 6.598
28 HD2 PRO 3 HD2 PRO 3 28.370 3.528 6.871
29 HD3 PRO 3 HD3 PRO 3 30.005 3.142 6.320
30 HA PRO 4 HA PRO 4 24.528 2.793 2.101
31 HB2 PRO 4 HB2 PRO 4 24.541 1.561 -0.314
32 HB3 PRO 4 HB3 PRO 4 25.581 2.956 0.008
33 HG2 PRO 4 HG2 PRO 4 26.284 0.006 0.038
34 HG3 PRO 4 HG3 PRO 4 27.183 1.359 -0.664
35 HD2 PRO 4 HD2 PRO 4 27.805 0.257 1.799
36 HD3 PRO 4 HD3 PRO 4 28.161 1.940 1.388
37 H SER 5 H SER 5 22.473 1.977 2.116
38 HA SER 5 HA SER 5 21.926 -0.436 3.408
39 HB2 SER 5 HB2 SER 5 20.144 1.300 1.682
40 HB3 SER 5 HB3 SER 5 19.556 -0.062 2.664
41 HG SER 5 HG SER 5 19.393 1.966 3.768
42 H ASP 6 H ASP 6 21.619 0.343 -0.062
43 HA ASP 6 HA ASP 6 20.423 -1.985 -0.934
44 HB2 ASP 6 HB2 ASP 6 22.427 -0.215 -2.452
45 HB3 ASP 6 HB3 ASP 6 21.517 -1.628 -3.041
46 H AIB 7 H AIB 7 21.197 -3.908 -1.925
47 HB11 AIB 7 HB11 AIB 7 24.254 -6.088 -0.083
48 HB12 AIB 7 HB12 AIB 7 24.196 -4.336 0.222
49 HB13 AIB 7 HB13 AIB 7 22.823 -5.366 0.688
50 HB21 AIB 7 HB21 AIB 7 21.692 -6.635 -0.973
51 HB22 AIB 7 HB22 AIB 7 22.559 -6.843 -2.439
52 HB23 AIB 7 HB23 AIB 7 21.209 -5.788 -2.383
53 H ALA 8 H ALA 8 22.949 -4.121 -3.854
54 HA ALA 8 HA ALA 8 25.329 -5.227 -4.838
55 HB1 ALA 8 HB1 ALA 8 25.087 -3.652 -6.718
56 HB2 ALA 8 HB2 ALA 8 23.829 -2.784 -5.809
57 HB3 ALA 8 HB3 ALA 8 23.556 -4.466 -6.320
58 H ALA 9 H ALA 9 24.697 -1.859 -3.790
59 HA ALA 9 HA ALA 9 27.329 -0.978 -4.303
60 HB1 ALA 9 HB1 ALA 9 26.718 1.041 -3.039
61 HB2 ALA 9 HB2 ALA 9 25.227 0.234 -2.502
62 HB3 ALA 9 HB3 ALA 9 25.477 0.587 -4.229
63 H TYR 10 H TYR 10 25.858 -2.487 -1.503
64 HA TYR 10 HA TYR 10 27.704 -1.729 0.461
65 HB2 TYR 10 HB2 TYR 10 25.506 -2.859 0.834
66 HB3 TYR 10 HB3 TYR 10 26.266 -4.373 0.287
67 HD1 TYR 10 HD2 TYR 10 26.274 -1.804 2.966
68 HD2 TYR 10 HD1 TYR 10 27.703 -5.621 1.755
69 HE1 TYR 10 HE2 TYR 10 27.070 -2.223 5.252
70 HE2 TYR 10 HE1 TYR 10 28.506 -6.051 4.040
71 HH TYR 10 HH TYR 10 27.575 -4.767 6.591
72 H ALA 11 H ALA 11 27.859 -4.197 -2.030
73 HA ALA 11 HA ALA 11 30.068 -5.638 -0.975
74 HB1 ALA 11 HB1 ALA 11 30.227 -6.641 -3.220
75 HB2 ALA 11 HB2 ALA 11 29.047 -5.454 -3.819
76 HB3 ALA 11 HB3 ALA 11 28.559 -6.653 -2.600
77 H GLN 12 H GLN 12 29.831 -3.239 -3.623
78 HA GLN 12 HA GLN 12 32.585 -3.034 -4.124
79 HB2 GLN 12 HB2 GLN 12 30.486 -2.096 -5.384
80 HB3 GLN 12 HB3 GLN 12 30.798 -0.658 -4.385
81 HG2 GLN 12 HG2 GLN 12 33.114 -1.734 -6.203
82 HG3 GLN 12 HG3 GLN 12 31.623 -0.876 -6.656
83 HE21 GLN 12 HE22 GLN 12 34.641 -0.719 -4.819
84 HE22 GLN 12 HE21 GLN 12 34.669 1.005 -4.644
85 H TRP 13 H TRP 13 30.502 -1.430 -1.788
86 HA TRP 13 HA TRP 13 32.178 0.597 -0.886
87 HB2 TRP 13 HB2 TRP 13 29.813 0.390 -0.187
88 HB3 TRP 13 HB3 TRP 13 30.210 -1.085 0.726
89 HD1 TRP 13 HD1 TRP 13 30.830 2.721 0.810
90 HE1 TRP 13 HE1 TRP 13 31.314 3.369 3.254
91 HE3 TRP 13 HE3 TRP 13 30.969 -1.943 2.867
92 HZ2 TRP 13 HZ2 TRP 13 31.699 2.068 5.735
93 HZ3 TRP 13 HZ3 TRP 13 31.407 -2.166 5.278
94 HH2 TRP 13 HH2 TRP 13 31.767 -0.199 6.681
95 H LEU 14 H LEU 14 31.958 -2.801 0.152
96 HA LEU 14 HA LEU 14 33.948 -2.699 2.151
97 HB2 LEU 14 HB2 LEU 14 32.945 -4.814 0.380
98 HB3 LEU 14 HB3 LEU 14 34.081 -5.266 1.672
99 HG LEU 14 HG LEU 14 31.306 -4.074 2.087
100 HD11 LEU 14 HD11 LEU 14 30.712 -6.275 2.980
101 HD12 LEU 14 HD12 LEU 14 31.199 -6.371 1.272
102 HD13 LEU 14 HD13 LEU 14 32.329 -6.882 2.550
103 HD21 LEU 14 HD21 LEU 14 31.684 -4.559 4.464
104 HD22 LEU 14 HD22 LEU 14 33.334 -5.112 4.087
105 HD23 LEU 14 HD23 LEU 14 32.888 -3.407 3.839
106 H ALA 15 H ALA 15 34.056 -3.473 -1.302
107 HA ALA 15 HA ALA 15 36.749 -4.232 -1.483
108 HB1 ALA 15 HB1 ALA 15 36.525 -3.781 -3.895
109 HB2 ALA 15 HB2 ALA 15 34.974 -2.968 -3.582
110 HB3 ALA 15 HB3 ALA 15 35.149 -4.707 -3.251
111 H ASP 16 H ASP 16 35.257 -1.056 -1.397
112 HA ASP 16 HA ASP 16 37.686 0.295 -2.217
113 HB2 ASP 16 HB2 ASP 16 34.947 1.010 -2.306
114 HB3 ASP 16 HB3 ASP 16 35.700 1.859 -0.933
115 H DAL 17 H DAL 17 37.161 -1.277 0.503
116 HA DAL 17 HA DAL 17 38.796 0.536 2.074
117 HB1 DAL 17 HB1 DAL 17 39.063 -1.372 3.606
118 HB2 DAL 17 HB2 DAL 17 39.485 -1.788 1.929
119 HB3 DAL 17 HB3 DAL 17 37.925 -2.310 2.610
120 H GLY 18 H GLY 18 35.483 -0.375 1.867
121 HA2 GLY 18 HA2 GLY 18 33.630 0.217 3.090
122 HA3 GLY 18 HA3 GLY 18 34.622 -0.141 4.523
123 H TRP 19 H TRP 19 35.229 1.496 5.806
124 HA TRP 19 HA TRP 19 34.094 4.067 5.434
125 HB2 TRP 19 HB2 TRP 19 35.912 2.832 7.484
126 HB3 TRP 19 HB3 TRP 19 35.743 4.603 7.444
127 HD1 TRP 19 HD1 TRP 19 34.220 1.648 8.958
128 HE1 TRP 19 HE1 TRP 19 31.904 2.206 9.932
129 HE3 TRP 19 HE3 TRP 19 33.461 6.176 6.707
130 HZ2 TRP 19 HZ2 TRP 19 30.007 4.290 9.768
131 HZ3 TRP 19 HZ3 TRP 19 31.373 7.387 7.170
132 HH2 TRP 19 HH2 TRP 19 29.679 6.462 8.666
133 H ALA 20 H ALA 20 37.192 2.714 4.595
134 HA ALA 20 HA ALA 20 38.352 5.340 4.076
135 HB1 ALA 20 HB1 ALA 20 40.388 4.090 3.479
136 HB2 ALA 20 HB2 ALA 20 39.505 2.565 3.722
137 HB3 ALA 20 HB3 ALA 20 39.786 3.659 5.097
138 H SER 21 H SER 21 36.056 4.762 2.549
139 HA SER 21 HA SER 21 37.048 4.070 -0.113
140 HB2 SER 21 HB2 SER 21 35.037 2.905 0.549
141 HB3 SER 21 HB3 SER 21 34.239 4.439 0.963
142 HG SER 21 HG SER 21 33.900 3.339 -1.246
Start of MODEL 8
1 H1 ARG 1 H1 ARG 1 32.270 7.743 1.153
2 H2 ARG 1 H2 ARG 1 32.074 8.633 2.345
3 H3 ARG 1 H3 ARG 1 32.621 7.248 2.525
4 HA ARG 1 HA ARG 1 29.866 7.949 2.668
5 HB2 ARG 1 HB2 ARG 1 28.919 6.387 1.007
6 HB3 ARG 1 HB3 ARG 1 29.812 7.750 0.292
7 HG2 ARG 1 HG2 ARG 1 31.616 6.382 -0.361
8 HG3 ARG 1 HG3 ARG 1 31.131 5.069 0.739
9 HD2 ARG 1 HD2 ARG 1 29.552 4.254 -0.708
10 HD3 ARG 1 HD3 ARG 1 29.186 5.859 -1.383
11 HE ARG 1 HE ARG 1 31.158 3.973 -2.322
12 HH11 ARG 1 HH11 ARG 1 30.158 7.329 -2.296
13 HH12 ARG 1 HH12 ARG 1 31.009 7.718 -3.778
14 HH21 ARG 1 HH21 ARG 1 32.270 4.475 -4.245
15 HH22 ARG 1 HH22 ARG 1 32.200 6.109 -4.876
16 HA PRO 2 HA PRO 2 30.252 4.441 5.377
17 HB2 PRO 2 HB2 PRO 2 27.782 4.515 6.518
18 HB3 PRO 2 HB3 PRO 2 28.988 5.765 6.854
19 HG2 PRO 2 HG2 PRO 2 26.608 5.857 5.001
20 HG3 PRO 2 HG3 PRO 2 27.269 7.127 6.039
21 HD2 PRO 2 HD2 PRO 2 27.750 6.917 3.279
22 HD3 PRO 2 HD3 PRO 2 28.761 7.838 4.400
23 HA PRO 3 HA PRO 3 28.543 0.749 3.661
24 HB2 PRO 3 HB2 PRO 3 27.211 -0.440 5.828
25 HB3 PRO 3 HB3 PRO 3 28.945 -0.583 5.507
26 HG2 PRO 3 HG2 PRO 3 27.499 1.249 7.409
27 HG3 PRO 3 HG3 PRO 3 29.055 0.430 7.601
28 HD2 PRO 3 HD2 PRO 3 28.922 3.084 7.002
29 HD3 PRO 3 HD3 PRO 3 30.225 2.072 6.366
30 HA PRO 4 HA PRO 4 24.311 2.136 2.861
31 HB2 PRO 4 HB2 PRO 4 24.192 1.377 0.260
32 HB3 PRO 4 HB3 PRO 4 25.098 2.813 0.754
33 HG2 PRO 4 HG2 PRO 4 26.122 0.031 0.127
34 HG3 PRO 4 HG3 PRO 4 26.805 1.599 -0.325
35 HD2 PRO 4 HD2 PRO 4 27.732 0.084 1.818
36 HD3 PRO 4 HD3 PRO 4 27.921 1.839 1.720
37 H SER 5 H SER 5 22.459 1.058 3.164
38 HA SER 5 HA SER 5 22.303 -1.622 3.833
39 HB2 SER 5 HB2 SER 5 20.149 0.240 2.804
40 HB3 SER 5 HB3 SER 5 19.822 -1.373 3.478
41 HG SER 5 HG SER 5 19.638 0.305 5.060
42 H ASP 6 H ASP 6 21.119 -0.173 0.779
43 HA ASP 6 HA ASP 6 20.337 -2.333 -0.632
44 HB2 ASP 6 HB2 ASP 6 20.455 0.099 -1.514
45 HB3 ASP 6 HB3 ASP 6 22.182 -0.301 -1.688
46 H AIB 7 H AIB 7 21.171 -4.117 -1.548
47 HB11 AIB 7 HB11 AIB 7 24.679 -5.990 -0.535
48 HB12 AIB 7 HB12 AIB 7 24.389 -4.338 0.060
49 HB13 AIB 7 HB13 AIB 7 23.221 -5.631 0.418
50 HB21 AIB 7 HB21 AIB 7 22.101 -6.750 -1.379
51 HB22 AIB 7 HB22 AIB 7 23.024 -6.679 -2.823
52 HB23 AIB 7 HB23 AIB 7 21.537 -5.832 -2.713
53 H ALA 8 H ALA 8 22.694 -3.611 -3.803
54 HA ALA 8 HA ALA 8 24.940 -4.288 -5.316
55 HB1 ALA 8 HB1 ALA 8 24.358 -2.378 -6.757
56 HB2 ALA 8 HB2 ALA 8 23.223 -1.804 -5.513
57 HB3 ALA 8 HB3 ALA 8 22.936 -3.359 -6.330
58 H ALA 9 H ALA 9 24.345 -1.247 -3.523
59 HA ALA 9 HA ALA 9 26.883 -0.155 -4.172
60 HB1 ALA 9 HB1 ALA 9 26.343 1.598 -2.535
61 HB2 ALA 9 HB2 ALA 9 24.942 0.643 -1.997
62 HB3 ALA 9 HB3 ALA 9 24.996 1.286 -3.655
63 H TYR 10 H TYR 10 25.735 -2.175 -1.553
64 HA TYR 10 HA TYR 10 27.749 -1.669 0.332
65 HB2 TYR 10 HB2 TYR 10 25.582 -2.963 0.630
66 HB3 TYR 10 HB3 TYR 10 26.446 -4.346 -0.084
67 HD1 TYR 10 HD1 TYR 10 26.823 -1.825 2.674
68 HD2 TYR 10 HD2 TYR 10 27.587 -5.798 1.359
69 HE1 TYR 10 HE1 TYR 10 27.775 -2.365 4.875
70 HE2 TYR 10 HE2 TYR 10 28.547 -6.345 3.556
71 HH TYR 10 HH TYR 10 28.063 -5.013 6.160
72 H ALA 11 H ALA 11 27.694 -3.707 -2.528
73 HA ALA 11 HA ALA 11 30.026 -5.217 -1.933
74 HB1 ALA 11 HB1 ALA 11 29.979 -5.855 -4.310
75 HB2 ALA 11 HB2 ALA 11 28.719 -4.632 -4.598
76 HB3 ALA 11 HB3 ALA 11 28.383 -6.022 -3.540
77 H GLN 12 H GLN 12 29.471 -2.419 -4.095
78 HA GLN 12 HA GLN 12 32.157 -2.052 -4.842
79 HB2 GLN 12 HB2 GLN 12 29.912 -0.990 -5.701
80 HB3 GLN 12 HB3 GLN 12 30.326 0.283 -4.528
81 HG2 GLN 12 HG2 GLN 12 32.212 -0.447 -6.944
82 HG3 GLN 12 HG3 GLN 12 30.904 0.731 -6.685
83 HE21 GLN 12 HE22 GLN 12 34.229 -0.070 -6.149
84 HE22 GLN 12 HE21 GLN 12 34.663 1.357 -5.267
85 H TRP 13 H TRP 13 30.290 -0.874 -2.099
86 HA TRP 13 HA TRP 13 32.038 1.014 -1.043
87 HB2 TRP 13 HB2 TRP 13 29.739 0.673 -0.189
88 HB3 TRP 13 HB3 TRP 13 30.213 -0.919 0.450
89 HD1 TRP 13 HD1 TRP 13 30.934 2.833 1.042
90 HE1 TRP 13 HE1 TRP 13 31.571 3.110 3.522
91 HE3 TRP 13 HE3 TRP 13 31.004 -2.086 2.410
92 HZ2 TRP 13 HZ2 TRP 13 32.037 1.456 5.764
93 HZ3 TRP 13 HZ3 TRP 13 31.557 -2.660 4.740
94 HH2 TRP 13 HH2 TRP 13 32.063 -0.921 6.381
95 H LEU 14 H LEU 14 31.888 -2.501 -0.485
96 HA LEU 14 HA LEU 14 34.040 -2.669 1.332
97 HB2 LEU 14 HB2 LEU 14 32.883 -4.519 -0.629
98 HB3 LEU 14 HB3 LEU 14 34.122 -5.142 0.486
99 HG LEU 14 HG LEU 14 31.395 -4.048 1.292
100 HD11 LEU 14 HD11 LEU 14 30.876 -6.363 1.904
101 HD12 LEU 14 HD12 LEU 14 31.222 -6.204 0.166
102 HD13 LEU 14 HD13 LEU 14 32.452 -6.881 1.260
103 HD21 LEU 14 HD21 LEU 14 31.957 -4.863 3.536
104 HD22 LEU 14 HD22 LEU 14 33.572 -5.339 2.956
105 HD23 LEU 14 HD23 LEU 14 33.110 -3.621 2.991
106 H ALA 15 H ALA 15 33.872 -2.952 -2.194
107 HA ALA 15 HA ALA 15 36.532 -3.673 -2.689
108 HB1 ALA 15 HB1 ALA 15 36.131 -2.885 -4.987
109 HB2 ALA 15 HB2 ALA 15 34.619 -2.123 -4.443
110 HB3 ALA 15 HB3 ALA 15 34.797 -3.892 -4.376
111 H ASP 16 H ASP 16 35.077 -0.529 -2.103
112 HA ASP 16 HA ASP 16 37.432 0.933 -2.911
113 HB2 ASP 16 HB2 ASP 16 34.676 1.642 -2.443
114 HB3 ASP 16 HB3 ASP 16 35.743 2.383 -1.225
115 H DAL 17 H DAL 17 36.778 -0.888 -0.210
116 HA DAL 17 HA DAL 17 38.663 0.690 1.404
117 HB1 DAL 17 HB1 DAL 17 39.248 -1.430 2.511
118 HB2 DAL 17 HB2 DAL 17 39.525 -1.484 0.755
119 HB3 DAL 17 HB3 DAL 17 38.096 -2.280 1.454
120 H GLY 18 H GLY 18 35.451 0.346 1.224
121 HA2 GLY 18 HA2 GLY 18 33.687 0.502 2.686
122 HA3 GLY 18 HA3 GLY 18 34.665 -0.434 3.840
123 H TRP 19 H TRP 19 35.222 0.573 5.652
124 HA TRP 19 HA TRP 19 34.565 3.313 6.072
125 HB2 TRP 19 HB2 TRP 19 35.900 1.189 7.764
126 HB3 TRP 19 HB3 TRP 19 35.812 2.878 8.318
127 HD1 TRP 19 HD1 TRP 19 33.993 -0.241 8.605
128 HE1 TRP 19 HE1 TRP 19 31.564 0.156 9.359
129 HE3 TRP 19 HE3 TRP 19 33.680 4.786 7.725
130 HZ2 TRP 19 HZ2 TRP 19 29.757 2.314 9.555
131 HZ3 TRP 19 HZ3 TRP 19 31.566 5.940 8.221
132 HH2 TRP 19 HH2 TRP 19 29.645 4.729 9.117
133 H ALA 20 H ALA 20 37.517 1.593 5.287
134 HA ALA 20 HA ALA 20 39.128 4.005 5.654
135 HB1 ALA 20 HB1 ALA 20 41.052 2.544 5.175
136 HB2 ALA 20 HB2 ALA 20 39.936 1.188 4.895
137 HB3 ALA 20 HB3 ALA 20 40.056 1.922 6.512
138 H SER 21 H SER 21 37.184 4.203 3.640
139 HA SER 21 HA SER 21 38.611 3.824 1.117
140 HB2 SER 21 HB2 SER 21 36.300 3.064 1.157
141 HB3 SER 21 HB3 SER 21 35.757 4.670 1.696
142 HG SER 21 HG SER 21 37.024 4.074 -0.792
Start of MODEL 9
1 H1 ARG 1 H1 ARG 1 32.520 8.033 1.242
2 H2 ARG 1 H2 ARG 1 32.097 9.012 2.297
3 H3 ARG 1 H3 ARG 1 32.607 7.658 2.692
4 HA ARG 1 HA ARG 1 29.872 8.311 2.256
5 HB2 ARG 1 HB2 ARG 1 29.273 6.577 0.588
6 HB3 ARG 1 HB3 ARG 1 30.236 7.926 -0.059
7 HG2 ARG 1 HG2 ARG 1 32.223 6.573 -0.128
8 HG3 ARG 1 HG3 ARG 1 31.422 5.257 0.765
9 HD2 ARG 1 HD2 ARG 1 30.204 4.565 -1.075
10 HD3 ARG 1 HD3 ARG 1 30.224 6.176 -1.829
11 HE ARG 1 HE ARG 1 32.168 4.078 -2.142
12 HH11 ARG 1 HH11 ARG 1 31.629 7.533 -2.328
13 HH12 ARG 1 HH12 ARG 1 32.942 7.798 -3.458
14 HH21 ARG 1 HH21 ARG 1 33.874 4.417 -3.613
15 HH22 ARG 1 HH22 ARG 1 34.207 6.041 -4.182
16 HA PRO 2 HA PRO 2 29.803 5.018 5.253
17 HB2 PRO 2 HB2 PRO 2 27.239 5.284 6.089
18 HB3 PRO 2 HB3 PRO 2 28.439 6.537 6.436
19 HG2 PRO 2 HG2 PRO 2 26.292 6.486 4.310
20 HG3 PRO 2 HG3 PRO 2 26.860 7.842 5.293
21 HD2 PRO 2 HD2 PRO 2 27.669 7.332 2.643
22 HD3 PRO 2 HD3 PRO 2 28.547 8.366 3.777
23 HA PRO 3 HA PRO 3 28.341 1.220 3.519
24 HB2 PRO 3 HB2 PRO 3 26.694 0.759 5.985
25 HB3 PRO 3 HB3 PRO 3 27.934 -0.275 5.262
26 HG2 PRO 3 HG2 PRO 3 28.366 1.228 7.505
27 HG3 PRO 3 HG3 PRO 3 29.657 0.781 6.383
28 HD2 PRO 3 HD2 PRO 3 28.410 3.444 6.834
29 HD3 PRO 3 HD3 PRO 3 29.968 3.052 6.096
30 HA PRO 4 HA PRO 4 24.288 2.676 2.132
31 HB2 PRO 4 HB2 PRO 4 24.317 1.497 -0.312
32 HB3 PRO 4 HB3 PRO 4 25.297 2.929 0.030
33 HG2 PRO 4 HG2 PRO 4 26.131 0.016 -0.032
34 HG3 PRO 4 HG3 PRO 4 26.967 1.429 -0.689
35 HD2 PRO 4 HD2 PRO 4 27.634 0.270 1.741
36 HD3 PRO 4 HD3 PRO 4 27.934 1.974 1.377
37 H SER 5 H SER 5 22.251 1.784 2.056
38 HA SER 5 HA SER 5 21.783 -0.679 3.302
39 HB2 SER 5 HB2 SER 5 19.954 1.031 1.598
40 HB3 SER 5 HB3 SER 5 19.409 -0.375 2.541
41 HG SER 5 HG SER 5 19.152 1.617 3.688
42 H ASP 6 H ASP 6 21.438 0.191 -0.143
43 HA ASP 6 HA ASP 6 20.417 -2.146 -1.144
44 HB2 ASP 6 HB2 ASP 6 22.430 -0.263 -2.503
45 HB3 ASP 6 HB3 ASP 6 21.608 -1.691 -3.179
46 H AIB 7 H AIB 7 21.294 -4.025 -2.118
47 HB11 AIB 7 HB11 AIB 7 24.378 -6.089 -0.165
48 HB12 AIB 7 HB12 AIB 7 24.251 -4.337 0.114
49 HB13 AIB 7 HB13 AIB 7 22.905 -5.410 0.564
50 HB21 AIB 7 HB21 AIB 7 21.878 -6.761 -1.138
51 HB22 AIB 7 HB22 AIB 7 22.762 -6.912 -2.599
52 HB23 AIB 7 HB23 AIB 7 21.365 -5.921 -2.541
53 H ALA 8 H ALA 8 23.098 -4.119 -3.965
54 HA ALA 8 HA ALA 8 25.498 -5.195 -4.936
55 HB1 ALA 8 HB1 ALA 8 25.277 -3.586 -6.786
56 HB2 ALA 8 HB2 ALA 8 24.002 -2.741 -5.878
57 HB3 ALA 8 HB3 ALA 8 23.743 -4.414 -6.428
58 H ALA 9 H ALA 9 24.832 -1.858 -3.828
59 HA ALA 9 HA ALA 9 27.478 -0.968 -4.279
60 HB1 ALA 9 HB1 ALA 9 26.818 1.054 -3.044
61 HB2 ALA 9 HB2 ALA 9 25.311 0.243 -2.558
62 HB3 ALA 9 HB3 ALA 9 25.620 0.590 -4.275
63 H TYR 10 H TYR 10 25.918 -2.460 -1.515
64 HA TYR 10 HA TYR 10 27.709 -1.686 0.501
65 HB2 TYR 10 HB2 TYR 10 25.474 -2.812 0.773
66 HB3 TYR 10 HB3 TYR 10 26.279 -4.336 0.326
67 HD1 TYR 10 HD2 TYR 10 26.290 -1.604 2.868
68 HD2 TYR 10 HD1 TYR 10 27.435 -5.598 1.967
69 HE1 TYR 10 HE2 TYR 10 26.926 -1.943 5.217
70 HE2 TYR 10 HE1 TYR 10 28.083 -5.946 4.315
71 HH TYR 10 HH TYR 10 28.808 -3.853 6.355
72 H ALA 11 H ALA 11 27.901 -4.244 -1.916
73 HA ALA 11 HA ALA 11 30.092 -5.638 -0.758
74 HB1 ALA 11 HB1 ALA 11 30.271 -6.762 -2.941
75 HB2 ALA 11 HB2 ALA 11 29.100 -5.608 -3.617
76 HB3 ALA 11 HB3 ALA 11 28.597 -6.738 -2.338
77 H GLN 12 H GLN 12 29.884 -3.371 -3.517
78 HA GLN 12 HA GLN 12 32.639 -3.211 -4.022
79 HB2 GLN 12 HB2 GLN 12 30.541 -2.327 -5.330
80 HB3 GLN 12 HB3 GLN 12 30.873 -0.837 -4.416
81 HG2 GLN 12 HG2 GLN 12 32.259 -0.556 -6.579
82 HG3 GLN 12 HG3 GLN 12 33.111 -1.043 -5.095
83 HE21 GLN 12 HE22 GLN 12 34.816 -2.169 -5.879
84 HE22 GLN 12 HE21 GLN 12 34.690 -3.559 -6.906
85 H TRP 13 H TRP 13 30.561 -1.499 -1.762
86 HA TRP 13 HA TRP 13 32.253 0.569 -0.971
87 HB2 TRP 13 HB2 TRP 13 29.888 0.447 -0.269
88 HB3 TRP 13 HB3 TRP 13 30.244 -0.998 0.706
89 HD1 TRP 13 HD1 TRP 13 30.882 2.799 0.658
90 HE1 TRP 13 HE1 TRP 13 31.395 3.531 3.073
91 HE3 TRP 13 HE3 TRP 13 31.058 -1.790 2.870
92 HZ2 TRP 13 HZ2 TRP 13 31.819 2.317 5.588
93 HZ3 TRP 13 HZ3 TRP 13 31.530 -1.930 5.283
94 HH2 TRP 13 HH2 TRP 13 31.903 0.084 6.612
95 H LEU 14 H LEU 14 32.024 -2.784 0.198
96 HA LEU 14 HA LEU 14 34.003 -2.591 2.213
97 HB2 LEU 14 HB2 LEU 14 33.005 -4.788 0.541
98 HB3 LEU 14 HB3 LEU 14 34.128 -5.176 1.865
99 HG LEU 14 HG LEU 14 31.347 -3.974 2.190
100 HD11 LEU 14 HD11 LEU 14 30.755 -6.137 3.180
101 HD12 LEU 14 HD12 LEU 14 31.264 -6.308 1.483
102 HD13 LEU 14 HD13 LEU 14 32.381 -6.751 2.797
103 HD21 LEU 14 HD21 LEU 14 31.698 -4.344 4.592
104 HD22 LEU 14 HD22 LEU 14 33.354 -4.908 4.262
105 HD23 LEU 14 HD23 LEU 14 32.906 -3.218 3.928
106 H ALA 15 H ALA 15 34.116 -3.537 -1.197
107 HA ALA 15 HA ALA 15 36.766 -4.377 -1.361
108 HB1 ALA 15 HB1 ALA 15 36.588 -3.927 -3.775
109 HB2 ALA 15 HB2 ALA 15 35.076 -3.037 -3.480
110 HB3 ALA 15 HB3 ALA 15 35.163 -4.781 -3.138
111 H ASP 16 H ASP 16 35.443 -1.117 -1.354
112 HA ASP 16 HA ASP 16 37.994 0.056 -2.098
113 HB2 ASP 16 HB2 ASP 16 35.287 0.929 -2.350
114 HB3 ASP 16 HB3 ASP 16 36.085 1.837 -1.043
115 H DAL 17 H DAL 17 37.344 -1.398 0.595
116 HA DAL 17 HA DAL 17 38.945 0.384 2.208
117 HB1 DAL 17 HB1 DAL 17 38.964 -1.455 3.841
118 HB2 DAL 17 HB2 DAL 17 39.451 -1.990 2.216
119 HB3 DAL 17 HB3 DAL 17 37.817 -2.354 2.820
120 H GLY 18 H GLY 18 35.584 -0.333 1.862
121 HA2 GLY 18 HA2 GLY 18 33.710 0.441 2.943
122 HA3 GLY 18 HA3 GLY 18 34.612 0.148 4.448
123 H TRP 19 H TRP 19 35.340 1.843 5.603
124 HA TRP 19 HA TRP 19 34.348 4.440 4.985
125 HB2 TRP 19 HB2 TRP 19 36.149 3.379 7.186
126 HB3 TRP 19 HB3 TRP 19 35.716 5.100 7.060
127 HD1 TRP 19 HD1 TRP 19 34.527 1.904 8.491
128 HE1 TRP 19 HE1 TRP 19 32.143 2.180 9.423
129 HE3 TRP 19 HE3 TRP 19 33.354 6.417 6.396
130 HZ2 TRP 19 HZ2 TRP 19 30.043 4.064 9.287
131 HZ3 TRP 19 HZ3 TRP 19 31.140 7.388 6.846
132 HH2 TRP 19 HH2 TRP 19 29.519 6.234 8.261
133 H ALA 20 H ALA 20 37.464 2.860 4.629
134 HA ALA 20 HA ALA 20 39.025 5.173 4.163
135 HB1 ALA 20 HB1 ALA 20 40.674 3.629 3.185
136 HB2 ALA 20 HB2 ALA 20 39.460 2.331 3.226
137 HB3 ALA 20 HB3 ALA 20 40.049 3.045 4.745
138 H SER 21 H SER 21 36.647 3.634 2.243
139 HA SER 21 HA SER 21 37.494 3.944 -0.355
140 HB2 SER 21 HB2 SER 21 35.364 2.882 0.276
141 HB3 SER 21 HB3 SER 21 34.708 4.477 0.711
142 HG SER 21 HG SER 21 34.326 3.521 -1.537
Start of MODEL 10
1 H1 ARG 1 H1 ARG 1 32.635 7.490 1.382
2 H2 ARG 1 H2 ARG 1 32.409 8.454 2.509
3 H3 ARG 1 H3 ARG 1 32.741 7.021 2.803
4 HA ARG 1 HA ARG 1 30.106 8.073 2.549
5 HB2 ARG 1 HB2 ARG 1 29.162 6.660 0.818
6 HB3 ARG 1 HB3 ARG 1 30.436 7.723 0.177
7 HG2 ARG 1 HG2 ARG 1 31.696 5.296 0.944
8 HG3 ARG 1 HG3 ARG 1 30.224 4.845 0.050
9 HD2 ARG 1 HD2 ARG 1 32.195 6.901 -0.981
10 HD3 ARG 1 HD3 ARG 1 32.355 5.163 -1.328
11 HE ARG 1 HE ARG 1 30.356 5.269 -2.593
12 HH11 ARG 1 HH11 ARG 1 31.392 8.417 -1.444
13 HH12 ARG 1 HH12 ARG 1 30.412 9.291 -2.604
14 HH21 ARG 1 HH21 ARG 1 29.090 6.404 -4.098
15 HH22 ARG 1 HH22 ARG 1 29.116 8.157 -4.099
16 HA PRO 2 HA PRO 2 29.839 4.809 5.608
17 HB2 PRO 2 HB2 PRO 2 26.928 5.384 5.707
18 HB3 PRO 2 HB3 PRO 2 28.137 5.569 6.984
19 HG2 PRO 2 HG2 PRO 2 27.008 7.701 5.728
20 HG3 PRO 2 HG3 PRO 2 28.656 7.747 6.368
21 HD2 PRO 2 HD2 PRO 2 27.736 7.435 3.501
22 HD3 PRO 2 HD3 PRO 2 29.139 8.304 4.137
23 HA PRO 3 HA PRO 3 28.462 1.134 3.571
24 HB2 PRO 3 HB2 PRO 3 26.950 -0.060 5.649
25 HB3 PRO 3 HB3 PRO 3 28.687 -0.270 5.388
26 HG2 PRO 3 HG2 PRO 3 27.251 1.568 7.282
27 HG3 PRO 3 HG3 PRO 3 28.784 0.712 7.490
28 HD2 PRO 3 HD2 PRO 3 28.738 3.374 6.964
29 HD3 PRO 3 HD3 PRO 3 30.013 2.348 6.295
30 HA PRO 4 HA PRO 4 24.295 2.406 2.421
31 HB2 PRO 4 HB2 PRO 4 24.316 1.419 -0.104
32 HB3 PRO 4 HB3 PRO 4 25.231 2.873 0.318
33 HG2 PRO 4 HG2 PRO 4 26.212 0.023 0.004
34 HG3 PRO 4 HG3 PRO 4 26.967 1.528 -0.538
35 HD2 PRO 4 HD2 PRO 4 27.713 0.186 1.786
36 HD3 PRO 4 HD3 PRO 4 27.966 1.919 1.543
37 H SER 5 H SER 5 22.376 1.397 2.614
38 HA SER 5 HA SER 5 22.125 -1.223 3.515
39 HB2 SER 5 HB2 SER 5 20.076 0.597 2.228
40 HB3 SER 5 HB3 SER 5 19.676 -0.953 3.003
41 HG SER 5 HG SER 5 19.445 0.845 4.441
42 H ASP 6 H ASP 6 21.353 0.046 0.259
43 HA ASP 6 HA ASP 6 20.467 -2.196 -1.000
44 HB2 ASP 6 HB2 ASP 6 20.769 0.126 -2.093
45 HB3 ASP 6 HB3 ASP 6 22.481 -0.363 -2.105
46 H AIB 7 H AIB 7 21.254 -4.083 -1.756
47 HB11 AIB 7 HB11 AIB 7 24.585 -6.098 -0.383
48 HB12 AIB 7 HB12 AIB 7 24.367 -4.403 0.113
49 HB13 AIB 7 HB13 AIB 7 23.103 -5.604 0.467
50 HB21 AIB 7 HB21 AIB 7 22.061 -6.770 -1.302
51 HB22 AIB 7 HB22 AIB 7 22.968 -6.787 -2.758
52 HB23 AIB 7 HB23 AIB 7 21.520 -5.874 -2.660
53 H ALA 8 H ALA 8 22.927 -3.879 -3.929
54 HA ALA 8 HA ALA 8 25.261 -4.725 -5.207
55 HB1 ALA 8 HB1 ALA 8 24.832 -2.931 -6.839
56 HB2 ALA 8 HB2 ALA 8 23.627 -2.234 -5.733
57 HB3 ALA 8 HB3 ALA 8 23.358 -3.845 -6.440
58 H ALA 9 H ALA 9 24.610 -1.560 -3.671
59 HA ALA 9 HA ALA 9 27.192 -0.535 -4.261
60 HB1 ALA 9 HB1 ALA 9 26.585 1.334 -2.782
61 HB2 ALA 9 HB2 ALA 9 25.145 0.432 -2.256
62 HB3 ALA 9 HB3 ALA 9 25.297 0.955 -3.950
63 H TYR 10 H TYR 10 25.868 -2.320 -1.544
64 HA TYR 10 HA TYR 10 27.801 -1.705 0.385
65 HB2 TYR 10 HB2 TYR 10 25.598 -2.931 0.682
66 HB3 TYR 10 HB3 TYR 10 26.462 -4.383 0.121
67 HD1 TYR 10 HD1 TYR 10 26.649 -1.692 2.726
68 HD2 TYR 10 HD2 TYR 10 27.627 -5.700 1.685
69 HE1 TYR 10 HE1 TYR 10 27.488 -2.072 5.004
70 HE2 TYR 10 HE2 TYR 10 28.472 -6.089 3.964
71 HH TYR 10 HH TYR 10 27.794 -4.655 6.448
72 H ALA 11 H ALA 11 27.856 -3.959 -2.307
73 HA ALA 11 HA ALA 11 30.123 -5.456 -1.459
74 HB1 ALA 11 HB1 ALA 11 30.183 -6.297 -3.771
75 HB2 ALA 11 HB2 ALA 11 28.963 -5.086 -4.229
76 HB3 ALA 11 HB3 ALA 11 28.548 -6.373 -3.072
77 H GLN 12 H GLN 12 29.737 -2.862 -3.895
78 HA GLN 12 HA GLN 12 32.463 -2.605 -4.525
79 HB2 GLN 12 HB2 GLN 12 30.286 -1.605 -5.603
80 HB3 GLN 12 HB3 GLN 12 30.658 -0.229 -4.538
81 HG2 GLN 12 HG2 GLN 12 31.942 0.357 -6.685
82 HG3 GLN 12 HG3 GLN 12 32.880 -0.383 -5.367
83 HE21 GLN 12 HE22 GLN 12 34.399 -1.663 -6.204
84 HE22 GLN 12 HE21 GLN 12 34.180 -2.769 -7.519
85 H TRP 13 H TRP 13 30.500 -1.222 -1.965
86 HA TRP 13 HA TRP 13 32.222 0.763 -1.014
87 HB2 TRP 13 HB2 TRP 13 29.892 0.560 -0.240
88 HB3 TRP 13 HB3 TRP 13 30.269 -1.003 0.522
89 HD1 TRP 13 HD1 TRP 13 31.138 2.750 0.914
90 HE1 TRP 13 HE1 TRP 13 31.625 3.157 3.410
91 HE3 TRP 13 HE3 TRP 13 30.854 -2.063 2.601
92 HZ2 TRP 13 HZ2 TRP 13 31.854 1.644 5.781
93 HZ3 TRP 13 HZ3 TRP 13 31.225 -2.506 4.994
94 HH2 TRP 13 HH2 TRP 13 31.714 -0.686 6.550
95 H LEU 14 H LEU 14 31.964 -2.681 -0.129
96 HA LEU 14 HA LEU 14 34.022 -2.731 1.792
97 HB2 LEU 14 HB2 LEU 14 32.942 -4.719 -0.077
98 HB3 LEU 14 HB3 LEU 14 34.106 -5.265 1.152
99 HG LEU 14 HG LEU 14 31.354 -4.084 1.702
100 HD11 LEU 14 HD11 LEU 14 30.778 -6.329 2.497
101 HD12 LEU 14 HD12 LEU 14 31.224 -6.335 0.775
102 HD13 LEU 14 HD13 LEU 14 32.383 -6.911 1.996
103 HD21 LEU 14 HD21 LEU 14 31.779 -4.686 4.042
104 HD22 LEU 14 HD22 LEU 14 33.422 -5.216 3.604
105 HD23 LEU 14 HD23 LEU 14 32.969 -3.502 3.450
106 H ALA 15 H ALA 15 34.035 -3.271 -1.705
107 HA ALA 15 HA ALA 15 36.690 -4.092 -2.013
108 HB1 ALA 15 HB1 ALA 15 36.432 -3.441 -4.373
109 HB2 ALA 15 HB2 ALA 15 34.920 -2.601 -3.958
110 HB3 ALA 15 HB3 ALA 15 35.036 -4.367 -3.771
111 H ASP 16 H ASP 16 35.333 -0.866 -1.666
112 HA ASP 16 HA ASP 16 37.851 0.399 -2.380
113 HB2 ASP 16 HB2 ASP 16 35.153 1.264 -2.537
114 HB3 ASP 16 HB3 ASP 16 35.910 2.029 -1.118
115 H DAL 17 H DAL 17 37.250 -1.276 0.212
116 HA DAL 17 HA DAL 17 38.832 0.447 1.937
117 HB1 DAL 17 HB1 DAL 17 39.081 -1.550 3.351
118 HB2 DAL 17 HB2 DAL 17 39.549 -1.852 1.662
119 HB3 DAL 17 HB3 DAL 17 37.981 -2.435 2.268
120 H GLY 18 H GLY 18 35.541 -0.171 1.501
121 HA2 GLY 18 HA2 GLY 18 33.662 0.344 2.719
122 HA3 GLY 18 HA3 GLY 18 34.544 -0.294 4.126
123 H TRP 19 H TRP 19 35.039 1.086 5.701
124 HA TRP 19 HA TRP 19 34.179 3.773 5.626
125 HB2 TRP 19 HB2 TRP 19 35.824 2.165 7.589
126 HB3 TRP 19 HB3 TRP 19 35.557 3.908 7.829
127 HD1 TRP 19 HD1 TRP 19 34.097 0.677 8.695
128 HE1 TRP 19 HE1 TRP 19 31.686 0.959 9.550
129 HE3 TRP 19 HE3 TRP 19 33.248 5.478 7.160
130 HZ2 TRP 19 HZ2 TRP 19 29.690 2.953 9.571
131 HZ3 TRP 19 HZ3 TRP 19 31.060 6.499 7.636
132 HH2 TRP 19 HH2 TRP 19 29.319 5.261 8.816
133 H ALA 20 H ALA 20 37.268 2.260 4.970
134 HA ALA 20 HA ALA 20 38.643 4.829 4.838
135 HB1 ALA 20 HB1 ALA 20 40.657 3.488 4.381
136 HB2 ALA 20 HB2 ALA 20 39.659 2.016 4.376
137 HB3 ALA 20 HB3 ALA 20 39.829 2.969 5.868
138 H SER 21 H SER 21 36.566 4.668 3.000
139 HA SER 21 HA SER 21 37.791 4.027 0.422
140 HB2 SER 21 HB2 SER 21 35.593 3.129 0.638
141 HB3 SER 21 HB3 SER 21 34.952 4.674 1.245
142 HG SER 21 HG SER 21 36.094 4.430 -1.344
Start of MODEL 11
1 H1 ARG 1 H1 ARG 1 31.978 7.617 1.428
2 H2 ARG 1 H2 ARG 1 31.822 8.453 2.664
3 H3 ARG 1 H3 ARG 1 32.246 7.018 2.777
4 HA ARG 1 HA ARG 1 29.556 7.942 2.889
5 HB2 ARG 1 HB2 ARG 1 28.572 6.451 1.127
6 HB3 ARG 1 HB3 ARG 1 29.444 7.889 0.546
7 HG2 ARG 1 HG2 ARG 1 31.107 6.661 -0.435
8 HG3 ARG 1 HG3 ARG 1 31.008 5.362 0.778
9 HD2 ARG 1 HD2 ARG 1 29.531 4.171 -0.450
10 HD3 ARG 1 HD3 ARG 1 28.595 5.619 -0.892
11 HE ARG 1 HE ARG 1 30.691 4.359 -2.417
12 HH11 ARG 1 HH11 ARG 1 28.924 7.333 -1.873
13 HH12 ARG 1 HH12 ARG 1 29.264 7.967 -3.472
14 HH21 ARG 1 HH21 ARG 1 31.135 5.179 -4.495
15 HH22 ARG 1 HH22 ARG 1 30.511 6.753 -4.949
16 HA PRO 2 HA PRO 2 29.874 4.434 5.678
17 HB2 PRO 2 HB2 PRO 2 26.986 4.985 6.191
18 HB3 PRO 2 HB3 PRO 2 28.335 4.958 7.335
19 HG2 PRO 2 HG2 PRO 2 27.178 7.278 6.559
20 HG3 PRO 2 HG3 PRO 2 28.905 7.184 6.932
21 HD2 PRO 2 HD2 PRO 2 27.547 7.309 4.228
22 HD3 PRO 2 HD3 PRO 2 29.077 8.029 4.744
23 HA PRO 3 HA PRO 3 28.398 0.835 3.603
24 HB2 PRO 3 HB2 PRO 3 26.939 0.077 6.116
25 HB3 PRO 3 HB3 PRO 3 28.111 -0.859 5.178
26 HG2 PRO 3 HG2 PRO 3 28.733 0.393 7.533
27 HG3 PRO 3 HG3 PRO 3 29.924 0.072 6.265
28 HD2 PRO 3 HD2 PRO 3 28.770 2.667 7.119
29 HD3 PRO 3 HD3 PRO 3 30.221 2.356 6.156
30 HA PRO 4 HA PRO 4 24.232 2.306 2.632
31 HB2 PRO 4 HB2 PRO 4 24.145 1.379 0.074
32 HB3 PRO 4 HB3 PRO 4 25.072 2.823 0.507
33 HG2 PRO 4 HG2 PRO 4 26.045 -0.016 0.087
34 HG3 PRO 4 HG3 PRO 4 26.772 1.503 -0.453
35 HD2 PRO 4 HD2 PRO 4 27.646 0.134 1.787
36 HD3 PRO 4 HD3 PRO 4 27.818 1.885 1.613
37 H SER 5 H SER 5 22.226 1.352 2.577
38 HA SER 5 HA SER 5 21.919 -1.274 3.520
39 HB2 SER 5 HB2 SER 5 19.933 0.604 2.220
40 HB3 SER 5 HB3 SER 5 19.487 -0.945 2.970
41 HG SER 5 HG SER 5 19.274 0.842 4.428
42 H ASP 6 H ASP 6 20.986 0.013 0.310
43 HA ASP 6 HA ASP 6 20.216 -2.215 -0.997
44 HB2 ASP 6 HB2 ASP 6 20.422 0.131 -2.042
45 HB3 ASP 6 HB3 ASP 6 22.156 -0.274 -2.058
46 H AIB 7 H AIB 7 21.056 -4.044 -1.844
47 HB11 AIB 7 HB11 AIB 7 24.455 -5.968 -0.521
48 HB12 AIB 7 HB12 AIB 7 24.189 -4.281 -0.021
49 HB13 AIB 7 HB13 AIB 7 22.967 -5.521 0.346
50 HB21 AIB 7 HB21 AIB 7 21.935 -6.722 -1.447
51 HB22 AIB 7 HB22 AIB 7 22.855 -6.692 -2.895
52 HB23 AIB 7 HB23 AIB 7 21.380 -5.823 -2.798
53 H ALA 8 H ALA 8 22.727 -3.677 -3.978
54 HA ALA 8 HA ALA 8 25.063 -4.465 -5.314
55 HB1 ALA 8 HB1 ALA 8 24.600 -2.592 -6.860
56 HB2 ALA 8 HB2 ALA 8 23.408 -1.947 -5.709
57 HB3 ALA 8 HB3 ALA 8 23.129 -3.522 -6.488
58 H ALA 9 H ALA 9 24.414 -1.392 -3.596
59 HA ALA 9 HA ALA 9 26.974 -0.316 -4.199
60 HB1 ALA 9 HB1 ALA 9 26.374 1.483 -2.635
61 HB2 ALA 9 HB2 ALA 9 24.952 0.543 -2.125
62 HB3 ALA 9 HB3 ALA 9 25.072 1.137 -3.798
63 H TYR 10 H TYR 10 25.735 -2.260 -1.569
64 HA TYR 10 HA TYR 10 27.679 -1.702 0.381
65 HB2 TYR 10 HB2 TYR 10 25.586 -2.858 0.862
66 HB3 TYR 10 HB3 TYR 10 26.125 -4.244 -0.118
67 HD1 TYR 10 HD1 TYR 10 26.968 -2.285 2.947
68 HD2 TYR 10 HD2 TYR 10 27.379 -5.983 0.889
69 HE1 TYR 10 HE1 TYR 10 28.025 -3.270 4.938
70 HE2 TYR 10 HE2 TYR 10 28.442 -6.975 2.870
71 HH TYR 10 HH TYR 10 29.115 -6.653 4.958
72 H ALA 11 H ALA 11 27.726 -3.821 -2.417
73 HA ALA 11 HA ALA 11 30.024 -5.324 -1.662
74 HB1 ALA 11 HB1 ALA 11 30.035 -6.095 -4.001
75 HB2 ALA 11 HB2 ALA 11 28.789 -4.887 -4.389
76 HB3 ALA 11 HB3 ALA 11 28.420 -6.215 -3.263
77 H GLN 12 H GLN 12 29.530 -2.639 -3.972
78 HA GLN 12 HA GLN 12 32.235 -2.325 -4.681
79 HB2 GLN 12 HB2 GLN 12 30.013 -1.316 -5.655
80 HB3 GLN 12 HB3 GLN 12 30.403 0.025 -4.552
81 HG2 GLN 12 HG2 GLN 12 31.608 0.696 -6.726
82 HG3 GLN 12 HG3 GLN 12 32.594 -0.057 -5.450
83 HE21 GLN 12 HE22 GLN 12 34.181 -1.075 -6.542
84 HE22 GLN 12 HE21 GLN 12 33.931 -2.231 -7.808
85 H TRP 13 H TRP 13 30.332 -1.078 -2.003
86 HA TRP 13 HA TRP 13 32.055 0.898 -1.041
87 HB2 TRP 13 HB2 TRP 13 29.762 0.619 -0.176
88 HB3 TRP 13 HB3 TRP 13 30.205 -0.957 0.521
89 HD1 TRP 13 HD1 TRP 13 30.871 2.809 1.021
90 HE1 TRP 13 HE1 TRP 13 31.555 3.154 3.479
91 HE3 TRP 13 HE3 TRP 13 31.126 -2.074 2.482
92 HZ2 TRP 13 HZ2 TRP 13 32.124 1.564 5.742
93 HZ3 TRP 13 HZ3 TRP 13 31.751 -2.584 4.808
94 HH2 TRP 13 HH2 TRP 13 32.241 -0.801 6.403
95 H LEU 14 H LEU 14 31.963 -2.598 -0.404
96 HA LEU 14 HA LEU 14 34.097 -2.674 1.456
97 HB2 LEU 14 HB2 LEU 14 32.981 -4.605 -0.453
98 HB3 LEU 14 HB3 LEU 14 34.214 -5.170 0.698
99 HG LEU 14 HG LEU 14 31.461 -4.090 1.430
100 HD11 LEU 14 HD11 LEU 14 30.971 -6.393 2.117
101 HD12 LEU 14 HD12 LEU 14 31.337 -6.289 0.379
102 HD13 LEU 14 HD13 LEU 14 32.563 -6.907 1.512
103 HD21 LEU 14 HD21 LEU 14 32.015 -4.817 3.709
104 HD22 LEU 14 HD22 LEU 14 33.642 -5.290 3.161
105 HD23 LEU 14 HD23 LEU 14 33.154 -3.578 3.131
106 H ALA 15 H ALA 15 33.943 -3.070 -2.060
107 HA ALA 15 HA ALA 15 36.588 -3.807 -2.550
108 HB1 ALA 15 HB1 ALA 15 36.196 -3.029 -4.854
109 HB2 ALA 15 HB2 ALA 15 34.696 -2.241 -4.314
110 HB3 ALA 15 HB3 ALA 15 34.849 -4.012 -4.232
111 H ASP 16 H ASP 16 35.198 -0.624 -1.985
112 HA ASP 16 HA ASP 16 37.622 0.747 -2.784
113 HB2 ASP 16 HB2 ASP 16 34.846 1.566 -2.303
114 HB3 ASP 16 HB3 ASP 16 36.049 2.420 -1.305
115 H DAL 17 H DAL 17 36.930 -1.017 -0.113
116 HA DAL 17 HA DAL 17 38.790 0.548 1.523
117 HB1 DAL 17 HB1 DAL 17 39.150 -1.539 2.776
118 HB2 DAL 17 HB2 DAL 17 39.481 -1.728 1.038
119 HB3 DAL 17 HB3 DAL 17 37.965 -2.355 1.728
120 H GLY 18 H GLY 18 35.537 0.335 1.241
121 HA2 GLY 18 HA2 GLY 18 33.759 0.806 2.613
122 HA3 GLY 18 HA3 GLY 18 34.586 -0.180 3.841
123 H TRP 19 H TRP 19 35.327 0.813 5.606
124 HA TRP 19 HA TRP 19 34.840 3.597 5.986
125 HB2 TRP 19 HB2 TRP 19 36.204 1.507 7.721
126 HB3 TRP 19 HB3 TRP 19 35.958 3.193 8.236
127 HD1 TRP 19 HD1 TRP 19 34.385 -0.077 8.479
128 HE1 TRP 19 HE1 TRP 19 31.919 0.133 9.187
129 HE3 TRP 19 HE3 TRP 19 33.716 4.921 7.629
130 HZ2 TRP 19 HZ2 TRP 19 29.952 2.149 9.361
131 HZ3 TRP 19 HZ3 TRP 19 31.512 5.911 8.091
132 HH2 TRP 19 HH2 TRP 19 29.669 4.551 8.938
133 H ALA 20 H ALA 20 37.673 1.682 5.196
134 HA ALA 20 HA ALA 20 39.446 3.982 5.511
135 HB1 ALA 20 HB1 ALA 20 41.254 2.397 4.984
136 HB2 ALA 20 HB2 ALA 20 40.042 1.122 4.725
137 HB3 ALA 20 HB3 ALA 20 40.246 1.839 6.341
138 H SER 21 H SER 21 37.494 4.356 3.543
139 HA SER 21 HA SER 21 38.877 3.924 0.996
140 HB2 SER 21 HB2 SER 21 36.539 3.206 1.093
141 HB3 SER 21 HB3 SER 21 36.048 4.846 1.573
142 HG SER 21 HG SER 21 36.221 5.483 -0.446
Start of MODEL 12
1 H1 ARG 1 H1 ARG 1 32.923 7.774 2.027
2 H2 ARG 1 H2 ARG 1 32.549 8.656 3.181
3 H3 ARG 1 H3 ARG 1 32.991 7.245 3.429
4 HA ARG 1 HA ARG 1 30.292 8.075 3.080
5 HB2 ARG 1 HB2 ARG 1 29.565 6.691 1.220
6 HB3 ARG 1 HB3 ARG 1 30.768 7.900 0.714
7 HG2 ARG 1 HG2 ARG 1 32.514 6.055 0.926
8 HG3 ARG 1 HG3 ARG 1 31.155 4.916 1.085
9 HD2 ARG 1 HD2 ARG 1 31.553 6.808 -1.259
10 HD3 ARG 1 HD3 ARG 1 32.054 5.101 -1.247
11 HE ARG 1 HE ARG 1 29.791 4.463 -1.284
12 HH11 ARG 1 HH11 ARG 1 30.155 7.950 -1.363
13 HH12 ARG 1 HH12 ARG 1 28.521 8.223 -1.933
14 HH21 ARG 1 HH21 ARG 1 27.672 4.818 -2.025
15 HH22 ARG 1 HH22 ARG 1 27.123 6.459 -2.306
16 HA PRO 2 HA PRO 2 30.039 4.509 5.730
17 HB2 PRO 2 HB2 PRO 2 27.459 4.766 6.526
18 HB3 PRO 2 HB3 PRO 2 28.685 5.940 7.023
19 HG2 PRO 2 HG2 PRO 2 26.600 6.163 4.845
20 HG3 PRO 2 HG3 PRO 2 27.166 7.395 5.981
21 HD2 PRO 2 HD2 PRO 2 28.049 7.159 3.323
22 HD3 PRO 2 HD3 PRO 2 28.932 8.018 4.592
23 HA PRO 3 HA PRO 3 28.475 0.954 3.607
24 HB2 PRO 3 HB2 PRO 3 26.816 0.212 5.981
25 HB3 PRO 3 HB3 PRO 3 28.098 -0.711 5.184
26 HG2 PRO 3 HG2 PRO 3 28.422 0.553 7.594
27 HG3 PRO 3 HG3 PRO 3 29.757 0.225 6.482
28 HD2 PRO 3 HD2 PRO 3 28.461 2.824 7.141
29 HD3 PRO 3 HD3 PRO 3 30.060 2.515 6.454
30 HA PRO 4 HA PRO 4 24.430 2.545 2.396
31 HB2 PRO 4 HB2 PRO 4 24.377 1.515 -0.112
32 HB3 PRO 4 HB3 PRO 4 25.411 2.892 0.294
33 HG2 PRO 4 HG2 PRO 4 26.146 -0.036 0.035
34 HG3 PRO 4 HG3 PRO 4 27.022 1.388 -0.541
35 HD2 PRO 4 HD2 PRO 4 27.672 0.040 1.802
36 HD3 PRO 4 HD3 PRO 4 28.051 1.746 1.533
37 H SER 5 H SER 5 22.359 1.710 2.240
38 HA SER 5 HA SER 5 21.845 -0.804 3.385
39 HB2 SER 5 HB2 SER 5 20.040 1.059 1.823
40 HB3 SER 5 HB3 SER 5 19.467 -0.388 2.683
41 HG SER 5 HG SER 5 19.288 1.533 3.960
42 H ASP 6 H ASP 6 21.384 0.268 0.008
43 HA ASP 6 HA ASP 6 20.305 -2.002 -1.079
44 HB2 ASP 6 HB2 ASP 6 22.277 -0.065 -2.424
45 HB3 ASP 6 HB3 ASP 6 21.391 -1.435 -3.137
46 H AIB 7 H AIB 7 21.118 -3.820 -2.205
47 HB11 AIB 7 HB11 AIB 7 24.253 -6.092 -0.593
48 HB12 AIB 7 HB12 AIB 7 24.180 -4.376 -0.130
49 HB13 AIB 7 HB13 AIB 7 22.835 -5.466 0.279
50 HB21 AIB 7 HB21 AIB 7 21.631 -6.559 -1.427
51 HB22 AIB 7 HB22 AIB 7 22.476 -6.682 -2.915
52 HB23 AIB 7 HB23 AIB 7 21.134 -5.624 -2.776
53 H ALA 8 H ALA 8 22.854 -3.838 -4.146
54 HA ALA 8 HA ALA 8 25.223 -4.848 -5.248
55 HB1 ALA 8 HB1 ALA 8 24.948 -3.131 -6.990
56 HB2 ALA 8 HB2 ALA 8 23.702 -2.343 -5.996
57 HB3 ALA 8 HB3 ALA 8 23.425 -3.981 -6.635
58 H ALA 9 H ALA 9 24.588 -1.609 -3.864
59 HA ALA 9 HA ALA 9 27.200 -0.646 -4.379
60 HB1 ALA 9 HB1 ALA 9 26.591 1.253 -2.940
61 HB2 ALA 9 HB2 ALA 9 25.122 0.382 -2.441
62 HB3 ALA 9 HB3 ALA 9 25.328 0.880 -4.137
63 H TYR 10 H TYR 10 25.805 -2.403 -1.690
64 HA TYR 10 HA TYR 10 27.676 -1.778 0.302
65 HB2 TYR 10 HB2 TYR 10 25.555 -2.893 0.754
66 HB3 TYR 10 HB3 TYR 10 26.122 -4.331 -0.130
67 HD1 TYR 10 HD1 TYR 10 26.861 -2.220 2.863
68 HD2 TYR 10 HD2 TYR 10 27.310 -6.023 1.013
69 HE1 TYR 10 HE1 TYR 10 27.828 -3.110 4.941
70 HE2 TYR 10 HE2 TYR 10 28.281 -6.923 3.084
71 HH TYR 10 HH TYR 10 28.684 -4.880 5.965
72 H ALA 11 H ALA 11 27.818 -4.031 -2.385
73 HA ALA 11 HA ALA 11 30.057 -5.527 -1.471
74 HB1 ALA 11 HB1 ALA 11 30.175 -6.377 -3.779
75 HB2 ALA 11 HB2 ALA 11 28.968 -5.168 -4.272
76 HB3 ALA 11 HB3 ALA 11 28.523 -6.451 -3.123
77 H GLN 12 H GLN 12 29.731 -2.927 -3.911
78 HA GLN 12 HA GLN 12 32.475 -2.673 -4.470
79 HB2 GLN 12 HB2 GLN 12 30.324 -1.659 -5.597
80 HB3 GLN 12 HB3 GLN 12 30.689 -0.286 -4.525
81 HG2 GLN 12 HG2 GLN 12 32.703 -1.291 -6.731
82 HG3 GLN 12 HG3 GLN 12 31.444 -0.037 -6.644
83 HE21 GLN 12 HE22 GLN 12 34.674 -0.982 -5.765
84 HE22 GLN 12 HE21 GLN 12 35.130 0.499 -4.991
85 H TRP 13 H TRP 13 30.427 -1.251 -1.982
86 HA TRP 13 HA TRP 13 32.114 0.715 -0.973
87 HB2 TRP 13 HB2 TRP 13 29.767 0.448 -0.230
88 HB3 TRP 13 HB3 TRP 13 30.191 -1.089 0.561
89 HD1 TRP 13 HD1 TRP 13 30.774 2.702 0.924
90 HE1 TRP 13 HE1 TRP 13 31.331 3.168 3.396
91 HE3 TRP 13 HE3 TRP 13 31.044 -2.102 2.606
92 HZ2 TRP 13 HZ2 TRP 13 31.817 1.689 5.751
93 HZ3 TRP 13 HZ3 TRP 13 31.566 -2.503 4.978
94 HH2 TRP 13 HH2 TRP 13 31.946 -0.643 6.518
95 H LEU 14 H LEU 14 31.946 -2.753 -0.194
96 HA LEU 14 HA LEU 14 33.986 -2.781 1.761
97 HB2 LEU 14 HB2 LEU 14 32.948 -4.768 -0.133
98 HB3 LEU 14 HB3 LEU 14 34.124 -5.304 1.090
99 HG LEU 14 HG LEU 14 31.350 -4.176 1.662
100 HD11 LEU 14 HD11 LEU 14 30.806 -6.445 2.412
101 HD12 LEU 14 HD12 LEU 14 31.249 -6.410 0.689
102 HD13 LEU 14 HD13 LEU 14 32.417 -6.996 1.897
103 HD21 LEU 14 HD21 LEU 14 31.795 -4.824 3.988
104 HD22 LEU 14 HD22 LEU 14 33.441 -5.328 3.531
105 HD23 LEU 14 HD23 LEU 14 32.970 -3.616 3.417
106 H ALA 15 H ALA 15 34.017 -3.335 -1.739
107 HA ALA 15 HA ALA 15 36.702 -4.061 -2.035
108 HB1 ALA 15 HB1 ALA 15 36.425 -3.445 -4.403
109 HB2 ALA 15 HB2 ALA 15 34.882 -2.659 -4.001
110 HB3 ALA 15 HB3 ALA 15 35.064 -4.416 -3.793
111 H ASP 16 H ASP 16 35.222 -0.895 -1.707
112 HA ASP 16 HA ASP 16 37.653 0.490 -2.473
113 HB2 ASP 16 HB2 ASP 16 34.868 1.232 -2.378
114 HB3 ASP 16 HB3 ASP 16 35.802 2.097 -1.132
115 H DAL 17 H DAL 17 37.084 -1.209 0.177
116 HA DAL 17 HA DAL 17 38.716 0.541 1.842
117 HB1 DAL 17 HB1 DAL 17 39.073 -1.456 3.233
118 HB2 DAL 17 HB2 DAL 17 39.498 -1.735 1.529
119 HB3 DAL 17 HB3 DAL 17 37.967 -2.369 2.179
120 H GLY 18 H GLY 18 35.474 0.140 1.430
121 HA2 GLY 18 HA2 GLY 18 33.611 0.567 2.704
122 HA3 GLY 18 HA3 GLY 18 34.480 -0.188 4.060
123 H TRP 19 H TRP 19 35.210 1.068 5.670
124 HA TRP 19 HA TRP 19 34.400 3.797 5.771
125 HB2 TRP 19 HB2 TRP 19 35.953 1.998 7.643
126 HB3 TRP 19 HB3 TRP 19 35.763 3.734 7.985
127 HD1 TRP 19 HD1 TRP 19 34.159 0.537 8.679
128 HE1 TRP 19 HE1 TRP 19 31.748 0.876 9.516
129 HE3 TRP 19 HE3 TRP 19 33.522 5.432 7.354
130 HZ2 TRP 19 HZ2 TRP 19 29.830 2.948 9.603
131 HZ3 TRP 19 HZ3 TRP 19 31.371 6.518 7.848
132 HH2 TRP 19 HH2 TRP 19 29.564 5.300 8.949
133 H ALA 20 H ALA 20 37.392 2.169 4.985
134 HA ALA 20 HA ALA 20 38.895 4.674 5.011
135 HB1 ALA 20 HB1 ALA 20 40.850 3.264 4.514
136 HB2 ALA 20 HB2 ALA 20 39.786 1.841 4.435
137 HB3 ALA 20 HB3 ALA 20 39.984 2.719 5.970
138 H SER 21 H SER 21 36.818 4.650 3.147
139 HA SER 21 HA SER 21 38.067 4.100 0.559
140 HB2 SER 21 HB2 SER 21 35.829 3.239 0.774
141 HB3 SER 21 HB3 SER 21 35.226 4.818 1.326
142 HG SER 21 HG SER 21 36.390 4.363 -1.236
Start of MODEL 13
1 H1 ARG 1 H1 ARG 1 32.470 7.750 1.121
2 H2 ARG 1 H2 ARG 1 32.223 8.703 2.252
3 H3 ARG 1 H3 ARG 1 32.715 7.315 2.535
4 HA ARG 1 HA ARG 1 29.980 8.096 2.462
5 HB2 ARG 1 HB2 ARG 1 29.068 6.550 0.808
6 HB3 ARG 1 HB3 ARG 1 30.140 7.769 0.079
7 HG2 ARG 1 HG2 ARG 1 31.967 6.088 0.022
8 HG3 ARG 1 HG3 ARG 1 30.842 4.873 0.677
9 HD2 ARG 1 HD2 ARG 1 30.236 6.382 -1.872
10 HD3 ARG 1 HD3 ARG 1 31.235 4.909 -1.877
11 HE ARG 1 HE ARG 1 29.352 3.656 -1.333
12 HH11 ARG 1 HH11 ARG 1 28.557 7.067 -1.442
13 HH12 ARG 1 HH12 ARG 1 26.828 6.779 -1.470
14 HH21 ARG 1 HH21 ARG 1 27.117 3.283 -1.374
15 HH22 ARG 1 HH22 ARG 1 26.017 4.647 -1.432
16 HA PRO 2 HA PRO 2 30.082 4.713 5.350
17 HB2 PRO 2 HB2 PRO 2 27.562 4.923 6.340
18 HB3 PRO 2 HB3 PRO 2 28.777 6.167 6.668
19 HG2 PRO 2 HG2 PRO 2 26.518 6.186 4.660
20 HG3 PRO 2 HG3 PRO 2 27.124 7.503 5.674
21 HD2 PRO 2 HD2 PRO 2 27.798 7.149 2.971
22 HD3 PRO 2 HD3 PRO 2 28.755 8.099 4.115
23 HA PRO 3 HA PRO 3 28.455 0.959 3.692
24 HB2 PRO 3 HB2 PRO 3 26.825 0.423 6.130
25 HB3 PRO 3 HB3 PRO 3 28.139 -0.536 5.433
26 HG2 PRO 3 HG2 PRO 3 28.385 1.002 7.709
27 HG3 PRO 3 HG3 PRO 3 29.745 0.534 6.680
28 HD2 PRO 3 HD2 PRO 3 28.487 3.201 7.010
29 HD3 PRO 3 HD3 PRO 3 30.071 2.790 6.340
30 HA PRO 4 HA PRO 4 24.392 2.491 2.407
31 HB2 PRO 4 HB2 PRO 4 24.372 1.370 -0.069
32 HB3 PRO 4 HB3 PRO 4 25.342 2.805 0.289
33 HG2 PRO 4 HG2 PRO 4 26.207 -0.095 0.134
34 HG3 PRO 4 HG3 PRO 4 27.019 1.345 -0.493
35 HD2 PRO 4 HD2 PRO 4 27.738 0.124 1.890
36 HD3 PRO 4 HD3 PRO 4 28.008 1.843 1.576
37 H SER 5 H SER 5 22.349 1.592 2.269
38 HA SER 5 HA SER 5 21.939 -0.968 3.393
39 HB2 SER 5 HB2 SER 5 20.041 0.910 1.966
40 HB3 SER 5 HB3 SER 5 19.528 -0.586 2.780
41 HG SER 5 HG SER 5 19.346 1.275 4.142
42 H ASP 6 H ASP 6 21.789 0.206 0.043
43 HA ASP 6 HA ASP 6 20.510 -2.018 -1.076
44 HB2 ASP 6 HB2 ASP 6 20.999 0.320 -2.201
45 HB3 ASP 6 HB3 ASP 6 22.595 -0.443 -2.410
46 H AIB 7 H AIB 7 21.213 -3.897 -2.019
47 HB11 AIB 7 HB11 AIB 7 24.435 -6.135 -0.648
48 HB12 AIB 7 HB12 AIB 7 24.350 -4.428 -0.150
49 HB13 AIB 7 HB13 AIB 7 23.022 -5.541 0.255
50 HB21 AIB 7 HB21 AIB 7 21.801 -6.620 -1.517
51 HB22 AIB 7 HB22 AIB 7 22.648 -6.671 -3.008
52 HB23 AIB 7 HB23 AIB 7 21.295 -5.634 -2.825
53 H ALA 8 H ALA 8 23.005 -3.724 -4.099
54 HA ALA 8 HA ALA 8 25.377 -4.657 -5.263
55 HB1 ALA 8 HB1 ALA 8 25.116 -2.818 -6.879
56 HB2 ALA 8 HB2 ALA 8 23.868 -2.100 -5.835
57 HB3 ALA 8 HB3 ALA 8 23.588 -3.685 -6.594
58 H ALA 9 H ALA 9 24.737 -1.518 -3.673
59 HA ALA 9 HA ALA 9 27.352 -0.534 -4.163
60 HB1 ALA 9 HB1 ALA 9 26.730 1.328 -2.684
61 HB2 ALA 9 HB2 ALA 9 25.258 0.445 -2.218
62 HB3 ALA 9 HB3 ALA 9 25.476 0.985 -3.899
63 H TYR 10 H TYR 10 25.908 -2.319 -1.510
64 HA TYR 10 HA TYR 10 27.794 -1.778 0.490
65 HB2 TYR 10 HB2 TYR 10 25.541 -2.965 0.663
66 HB3 TYR 10 HB3 TYR 10 26.415 -4.427 0.145
67 HD1 TYR 10 HD2 TYR 10 26.552 -1.735 2.758
68 HD2 TYR 10 HD1 TYR 10 27.394 -5.786 1.779
69 HE1 TYR 10 HE2 TYR 10 27.224 -2.152 5.084
70 HE2 TYR 10 HE1 TYR 10 28.079 -6.211 4.102
71 HH TYR 10 HH TYR 10 28.982 -4.150 6.161
72 H ALA 11 H ALA 11 27.877 -4.022 -2.218
73 HA ALA 11 HA ALA 11 30.102 -5.550 -1.306
74 HB1 ALA 11 HB1 ALA 11 30.184 -6.425 -3.605
75 HB2 ALA 11 HB2 ALA 11 28.990 -5.203 -4.099
76 HB3 ALA 11 HB3 ALA 11 28.537 -6.467 -2.932
77 H GLN 12 H GLN 12 29.796 -3.015 -3.814
78 HA GLN 12 HA GLN 12 32.533 -2.790 -4.390
79 HB2 GLN 12 HB2 GLN 12 30.387 -1.791 -5.528
80 HB3 GLN 12 HB3 GLN 12 30.750 -0.399 -4.481
81 HG2 GLN 12 HG2 GLN 12 32.087 0.144 -6.605
82 HG3 GLN 12 HG3 GLN 12 32.991 -0.600 -5.265
83 HE21 GLN 12 HE22 GLN 12 34.617 -1.531 -6.453
84 HE22 GLN 12 HE21 GLN 12 34.358 -2.790 -7.615
85 H TRP 13 H TRP 13 30.535 -1.349 -1.890
86 HA TRP 13 HA TRP 13 32.246 0.649 -0.949
87 HB2 TRP 13 HB2 TRP 13 29.893 0.427 -0.208
88 HB3 TRP 13 HB3 TRP 13 30.296 -1.094 0.622
89 HD1 TRP 13 HD1 TRP 13 31.056 2.687 0.864
90 HE1 TRP 13 HE1 TRP 13 31.523 3.217 3.340
91 HE3 TRP 13 HE3 TRP 13 30.926 -2.059 2.735
92 HZ2 TRP 13 HZ2 TRP 13 31.798 1.801 5.771
93 HZ3 TRP 13 HZ3 TRP 13 31.307 -2.392 5.146
94 HH2 TRP 13 HH2 TRP 13 31.736 -0.501 6.629
95 H LEU 14 H LEU 14 31.978 -2.777 0.001
96 HA LEU 14 HA LEU 14 34.020 -2.787 1.940
97 HB2 LEU 14 HB2 LEU 14 32.961 -4.818 0.106
98 HB3 LEU 14 HB3 LEU 14 34.104 -5.332 1.368
99 HG LEU 14 HG LEU 14 31.344 -4.139 1.849
100 HD11 LEU 14 HD11 LEU 14 30.755 -6.373 2.669
101 HD12 LEU 14 HD12 LEU 14 31.230 -6.407 0.955
102 HD13 LEU 14 HD13 LEU 14 32.369 -6.962 2.205
103 HD21 LEU 14 HD21 LEU 14 31.732 -4.706 4.204
104 HD22 LEU 14 HD22 LEU 14 33.378 -5.250 3.800
105 HD23 LEU 14 HD23 LEU 14 32.936 -3.536 3.613
106 H ALA 15 H ALA 15 34.064 -3.457 -1.539
107 HA ALA 15 HA ALA 15 36.702 -4.298 -1.815
108 HB1 ALA 15 HB1 ALA 15 36.482 -3.665 -4.185
109 HB2 ALA 15 HB2 ALA 15 34.984 -2.789 -3.794
110 HB3 ALA 15 HB3 ALA 15 35.061 -4.555 -3.586
111 H ASP 16 H ASP 16 35.390 -1.015 -1.704
112 HA ASP 16 HA ASP 16 37.932 0.187 -2.367
113 HB2 ASP 16 HB2 ASP 16 35.280 1.081 -2.595
114 HB3 ASP 16 HB3 ASP 16 35.950 1.812 -1.116
115 H DAL 17 H DAL 17 36.854 -1.222 0.430
116 HA DAL 17 HA DAL 17 38.664 0.430 2.046
117 HB1 DAL 17 HB1 DAL 17 38.801 -1.512 3.553
118 HB2 DAL 17 HB2 DAL 17 39.275 -1.915 1.887
119 HB3 DAL 17 HB3 DAL 17 37.672 -2.392 2.495
120 H GLY 18 H GLY 18 35.414 0.206 1.516
121 HA2 GLY 18 HA2 GLY 18 33.536 0.853 2.660
122 HA3 GLY 18 HA3 GLY 18 34.278 0.109 4.095
123 H TRP 19 H TRP 19 35.114 1.390 5.659
124 HA TRP 19 HA TRP 19 34.366 4.111 5.705
125 HB2 TRP 19 HB2 TRP 19 36.080 2.404 7.522
126 HB3 TRP 19 HB3 TRP 19 35.889 4.150 7.809
127 HD1 TRP 19 HD1 TRP 19 34.420 0.992 8.817
128 HE1 TRP 19 HE1 TRP 19 32.050 1.316 9.770
129 HE3 TRP 19 HE3 TRP 19 33.524 5.755 7.180
130 HZ2 TRP 19 HZ2 TRP 19 30.066 3.323 9.821
131 HZ3 TRP 19 HZ3 TRP 19 31.368 6.801 7.720
132 HH2 TRP 19 HH2 TRP 19 29.673 5.611 9.014
133 H ALA 20 H ALA 20 37.312 2.477 4.774
134 HA ALA 20 HA ALA 20 38.715 5.032 4.471
135 HB1 ALA 20 HB1 ALA 20 40.711 3.657 4.032
136 HB2 ALA 20 HB2 ALA 20 39.718 2.189 4.185
137 HB3 ALA 20 HB3 ALA 20 39.954 3.255 5.591
138 H SER 21 H SER 21 36.472 4.431 2.770
139 HA SER 21 HA SER 21 37.614 3.729 0.185
140 HB2 SER 21 HB2 SER 21 34.778 4.338 1.049
141 HB3 SER 21 HB3 SER 21 35.251 3.933 -0.617
142 HG SER 21 HG SER 21 34.527 2.093 0.597
Start of MODEL 14
1 H1 ARG 1 H1 ARG 1 32.437 7.627 0.426
2 H2 ARG 1 H2 ARG 1 32.276 8.692 1.470
3 H3 ARG 1 H3 ARG 1 32.719 7.315 1.866
4 HA ARG 1 HA ARG 1 30.018 8.213 1.812
5 HB2 ARG 1 HB2 ARG 1 28.951 6.698 0.300
6 HB3 ARG 1 HB3 ARG 1 30.211 7.605 -0.569
7 HG2 ARG 1 HG2 ARG 1 31.351 5.178 0.465
8 HG3 ARG 1 HG3 ARG 1 29.853 4.779 -0.411
9 HD2 ARG 1 HD2 ARG 1 31.606 6.730 -1.775
10 HD3 ARG 1 HD3 ARG 1 32.308 5.107 -1.580
11 HE ARG 1 HE ARG 1 30.617 4.237 -2.945
12 HH11 ARG 1 HH11 ARG 1 30.240 7.695 -2.519
13 HH12 ARG 1 HH12 ARG 1 29.153 7.862 -3.883
14 HH21 ARG 1 HH21 ARG 1 29.208 4.451 -4.711
15 HH22 ARG 1 HH22 ARG 1 28.571 6.032 -5.119
16 HA PRO 2 HA PRO 2 30.000 5.091 4.973
17 HB2 PRO 2 HB2 PRO 2 27.436 5.351 5.850
18 HB3 PRO 2 HB3 PRO 2 28.635 6.624 6.120
19 HG2 PRO 2 HG2 PRO 2 26.426 6.486 4.075
20 HG3 PRO 2 HG3 PRO 2 27.055 7.886 4.953
21 HD2 PRO 2 HD2 PRO 2 27.735 7.201 2.301
22 HD3 PRO 2 HD3 PRO 2 28.656 8.310 3.324
23 HA PRO 3 HA PRO 3 28.393 1.196 3.649
24 HB2 PRO 3 HB2 PRO 3 26.841 0.365 5.848
25 HB3 PRO 3 HB3 PRO 3 28.587 0.130 5.691
26 HG2 PRO 3 HG2 PRO 3 27.075 2.250 7.198
27 HG3 PRO 3 HG3 PRO 3 28.590 1.439 7.615
28 HD2 PRO 3 HD2 PRO 3 28.571 3.983 6.640
29 HD3 PRO 3 HD3 PRO 3 29.887 2.869 6.250
30 HA PRO 4 HA PRO 4 24.275 2.518 2.298
31 HB2 PRO 4 HB2 PRO 4 24.354 1.445 -0.184
32 HB3 PRO 4 HB3 PRO 4 25.275 2.904 0.207
33 HG2 PRO 4 HG2 PRO 4 26.231 0.032 0.036
34 HG3 PRO 4 HG3 PRO 4 27.003 1.502 -0.575
35 HD2 PRO 4 HD2 PRO 4 27.728 0.287 1.817
36 HD3 PRO 4 HD3 PRO 4 27.964 2.011 1.504
37 H SER 5 H SER 5 22.379 1.516 2.596
38 HA SER 5 HA SER 5 22.107 -1.084 3.522
39 HB2 SER 5 HB2 SER 5 20.068 0.714 2.189
40 HB3 SER 5 HB3 SER 5 19.661 -0.819 2.994
41 HG SER 5 HG SER 5 19.429 1.009 4.395
42 H ASP 6 H ASP 6 21.223 0.103 0.263
43 HA ASP 6 HA ASP 6 20.428 -2.124 -1.016
44 HB2 ASP 6 HB2 ASP 6 20.800 0.177 -2.124
45 HB3 ASP 6 HB3 ASP 6 22.512 -0.306 -2.036
46 H AIB 7 H AIB 7 21.201 -4.058 -1.635
47 HB11 AIB 7 HB11 AIB 7 24.526 -6.060 -0.176
48 HB12 AIB 7 HB12 AIB 7 24.369 -4.333 0.222
49 HB13 AIB 7 HB13 AIB 7 23.090 -5.476 0.696
50 HB21 AIB 7 HB21 AIB 7 21.884 -6.681 -0.983
51 HB22 AIB 7 HB22 AIB 7 22.760 -6.832 -2.450
52 HB23 AIB 7 HB23 AIB 7 21.375 -5.824 -2.378
53 H ALA 8 H ALA 8 22.961 -4.072 -3.812
54 HA ALA 8 HA ALA 8 25.334 -5.014 -4.920
55 HB1 ALA 8 HB1 ALA 8 25.006 -3.329 -6.688
56 HB2 ALA 8 HB2 ALA 8 23.766 -2.542 -5.685
57 HB3 ALA 8 HB3 ALA 8 23.501 -4.194 -6.292
58 H ALA 9 H ALA 9 24.680 -1.781 -3.542
59 HA ALA 9 HA ALA 9 27.281 -0.800 -4.148
60 HB1 ALA 9 HB1 ALA 9 26.648 1.161 -2.806
61 HB2 ALA 9 HB2 ALA 9 25.189 0.299 -2.264
62 HB3 ALA 9 HB3 ALA 9 25.388 0.716 -3.982
63 H TYR 10 H TYR 10 25.876 -2.402 -1.363
64 HA TYR 10 HA TYR 10 27.762 -1.662 0.576
65 HB2 TYR 10 HB2 TYR 10 25.638 -2.717 1.124
66 HB3 TYR 10 HB3 TYR 10 26.182 -4.219 0.340
67 HD1 TYR 10 HD1 TYR 10 26.984 -1.899 3.164
68 HD2 TYR 10 HD2 TYR 10 27.385 -5.828 1.586
69 HE1 TYR 10 HE1 TYR 10 27.988 -2.642 5.280
70 HE2 TYR 10 HE2 TYR 10 28.395 -6.579 3.699
71 HH TYR 10 HH TYR 10 29.037 -6.005 5.741
72 H ALA 11 H ALA 11 27.852 -4.103 -1.944
73 HA ALA 11 HA ALA 11 30.076 -5.564 -0.937
74 HB1 ALA 11 HB1 ALA 11 30.173 -6.572 -3.181
75 HB2 ALA 11 HB2 ALA 11 28.986 -5.378 -3.754
76 HB3 ALA 11 HB3 ALA 11 28.521 -6.573 -2.520
77 H GLN 12 H GLN 12 29.786 -3.149 -3.567
78 HA GLN 12 HA GLN 12 32.529 -2.973 -4.148
79 HB2 GLN 12 HB2 GLN 12 30.405 -2.013 -5.347
80 HB3 GLN 12 HB3 GLN 12 30.756 -0.579 -4.353
81 HG2 GLN 12 HG2 GLN 12 32.839 -1.708 -6.431
82 HG3 GLN 12 HG3 GLN 12 31.520 -0.517 -6.515
83 HE21 GLN 12 HE22 GLN 12 34.771 -1.169 -5.528
84 HE22 GLN 12 HE21 GLN 12 35.125 0.395 -4.873
85 H TRP 13 H TRP 13 30.515 -1.326 -1.776
86 HA TRP 13 HA TRP 13 32.252 0.666 -0.903
87 HB2 TRP 13 HB2 TRP 13 29.883 0.518 -0.193
88 HB3 TRP 13 HB3 TRP 13 30.255 -0.955 0.735
89 HD1 TRP 13 HD1 TRP 13 31.033 2.829 0.760
90 HE1 TRP 13 HE1 TRP 13 31.497 3.500 3.203
91 HE3 TRP 13 HE3 TRP 13 30.884 -1.797 2.910
92 HZ2 TRP 13 HZ2 TRP 13 31.760 2.234 5.713
93 HZ3 TRP 13 HZ3 TRP 13 31.256 -1.990 5.336
94 HH2 TRP 13 HH2 TRP 13 31.685 -0.012 6.708
95 H LEU 14 H LEU 14 31.920 -2.704 0.212
96 HA LEU 14 HA LEU 14 33.932 -2.632 2.188
97 HB2 LEU 14 HB2 LEU 14 32.854 -4.750 0.464
98 HB3 LEU 14 HB3 LEU 14 33.982 -5.211 1.760
99 HG LEU 14 HG LEU 14 31.246 -3.935 2.162
100 HD11 LEU 14 HD11 LEU 14 30.597 -6.108 3.090
101 HD12 LEU 14 HD12 LEU 14 31.077 -6.239 1.382
102 HD13 LEU 14 HD13 LEU 14 32.196 -6.761 2.664
103 HD21 LEU 14 HD21 LEU 14 31.608 -4.392 4.544
104 HD22 LEU 14 HD22 LEU 14 33.242 -4.998 4.178
105 HD23 LEU 14 HD23 LEU 14 32.845 -3.285 3.904
106 H ALA 15 H ALA 15 34.005 -3.535 -1.241
107 HA ALA 15 HA ALA 15 36.662 -4.383 -1.414
108 HB1 ALA 15 HB1 ALA 15 36.454 -3.970 -3.833
109 HB2 ALA 15 HB2 ALA 15 34.940 -3.086 -3.535
110 HB3 ALA 15 HB3 ALA 15 35.041 -4.824 -3.169
111 H ASP 16 H ASP 16 35.312 -1.141 -1.408
112 HA ASP 16 HA ASP 16 37.827 0.064 -2.219
113 HB2 ASP 16 HB2 ASP 16 35.121 0.894 -2.437
114 HB3 ASP 16 HB3 ASP 16 35.875 1.781 -1.089
115 H DAL 17 H DAL 17 37.318 -1.412 0.482
116 HA DAL 17 HA DAL 17 38.887 0.435 2.059
117 HB1 DAL 17 HB1 DAL 17 39.070 -1.425 3.661
118 HB2 DAL 17 HB2 DAL 17 39.529 -1.906 2.012
119 HB3 DAL 17 HB3 DAL 17 37.941 -2.374 2.665
120 H GLY 18 H GLY 18 35.566 -0.270 1.724
121 HA2 GLY 18 HA2 GLY 18 33.695 0.400 2.879
122 HA3 GLY 18 HA3 GLY 18 34.607 -0.008 4.351
123 H TRP 19 H TRP 19 35.354 1.592 5.622
124 HA TRP 19 HA TRP 19 34.344 4.218 5.244
125 HB2 TRP 19 HB2 TRP 19 36.156 2.943 7.299
126 HB3 TRP 19 HB3 TRP 19 35.866 4.699 7.304
127 HD1 TRP 19 HD1 TRP 19 34.540 1.622 8.744
128 HE1 TRP 19 HE1 TRP 19 32.172 1.993 9.684
129 HE3 TRP 19 HE3 TRP 19 33.485 6.107 6.530
130 HZ2 TRP 19 HZ2 TRP 19 30.127 3.932 9.506
131 HZ3 TRP 19 HZ3 TRP 19 31.303 7.153 6.966
132 HH2 TRP 19 HH2 TRP 19 29.658 6.087 8.423
133 H ALA 20 H ALA 20 37.404 2.696 4.519
134 HA ALA 20 HA ALA 20 38.696 5.256 3.978
135 HB1 ALA 20 HB1 ALA 20 40.702 3.907 3.511
136 HB2 ALA 20 HB2 ALA 20 39.747 2.427 3.763
137 HB3 ALA 20 HB3 ALA 20 40.013 3.554 5.114
138 H SER 21 H SER 21 36.461 4.778 2.360
139 HA SER 21 HA SER 21 37.513 3.902 -0.224
140 HB2 SER 21 HB2 SER 21 35.385 2.938 0.340
141 HB3 SER 21 HB3 SER 21 34.707 4.537 0.724
142 HG SER 21 HG SER 21 34.060 3.887 -1.358
Start of MODEL 15
1 H1 ARG 1 H1 ARG 1 32.867 7.496 0.929
2 H2 ARG 1 H2 ARG 1 32.732 8.478 2.054
3 H3 ARG 1 H3 ARG 1 32.996 7.032 2.350
4 HA ARG 1 HA ARG 1 30.415 8.222 2.179
5 HB2 ARG 1 HB2 ARG 1 29.369 6.688 0.519
6 HB3 ARG 1 HB3 ARG 1 30.482 7.899 -0.160
7 HG2 ARG 1 HG2 ARG 1 32.186 6.263 -0.522
8 HG3 ARG 1 HG3 ARG 1 31.312 5.046 0.441
9 HD2 ARG 1 HD2 ARG 1 29.502 5.028 -1.246
10 HD3 ARG 1 HD3 ARG 1 30.401 6.222 -2.212
11 HE ARG 1 HE ARG 1 32.046 4.542 -2.654
12 HH11 ARG 1 HH11 ARG 1 29.171 3.321 -1.054
13 HH12 ARG 1 HH12 ARG 1 29.444 1.671 -1.578
14 HH21 ARG 1 HH21 ARG 1 32.391 2.406 -3.331
15 HH22 ARG 1 HH22 ARG 1 31.256 1.157 -2.859
16 HA PRO 2 HA PRO 2 30.049 5.060 5.327
17 HB2 PRO 2 HB2 PRO 2 27.138 5.707 5.304
18 HB3 PRO 2 HB3 PRO 2 28.295 5.826 6.637
19 HG2 PRO 2 HG2 PRO 2 27.334 8.026 5.385
20 HG3 PRO 2 HG3 PRO 2 28.976 7.974 6.040
21 HD2 PRO 2 HD2 PRO 2 28.068 7.738 3.161
22 HD3 PRO 2 HD3 PRO 2 29.513 8.518 3.816
23 HA PRO 3 HA PRO 3 28.590 1.343 3.443
24 HB2 PRO 3 HB2 PRO 3 27.082 0.200 5.517
25 HB3 PRO 3 HB3 PRO 3 28.838 0.058 5.352
26 HG2 PRO 3 HG2 PRO 3 27.227 1.941 7.067
27 HG3 PRO 3 HG3 PRO 3 28.753 1.122 7.426
28 HD2 PRO 3 HD2 PRO 3 28.704 3.755 6.751
29 HD3 PRO 3 HD3 PRO 3 30.043 2.717 6.243
30 HA PRO 4 HA PRO 4 24.460 2.625 2.182
31 HB2 PRO 4 HB2 PRO 4 24.459 1.452 -0.260
32 HB3 PRO 4 HB3 PRO 4 25.426 2.899 0.056
33 HG2 PRO 4 HG2 PRO 4 26.302 -0.007 0.005
34 HG3 PRO 4 HG3 PRO 4 27.089 1.405 -0.714
35 HD2 PRO 4 HD2 PRO 4 27.883 0.320 1.703
36 HD3 PRO 4 HD3 PRO 4 28.105 2.029 1.311
37 H SER 5 H SER 5 22.539 1.701 2.549
38 HA SER 5 HA SER 5 22.189 -0.791 3.679
39 HB2 SER 5 HB2 SER 5 20.201 0.921 2.172
40 HB3 SER 5 HB3 SER 5 19.755 -0.509 3.131
41 HG SER 5 HG SER 5 19.578 1.458 4.335
42 H ASP 6 H ASP 6 21.607 0.105 0.273
43 HA ASP 6 HA ASP 6 20.452 -2.224 -0.633
44 HB2 ASP 6 HB2 ASP 6 22.335 -0.347 -2.176
45 HB3 ASP 6 HB3 ASP 6 21.433 -1.763 -2.772
46 H AIB 7 H AIB 7 21.253 -4.072 -1.778
47 HB11 AIB 7 HB11 AIB 7 24.474 -6.258 -0.155
48 HB12 AIB 7 HB12 AIB 7 24.398 -4.525 0.240
49 HB13 AIB 7 HB13 AIB 7 23.081 -5.611 0.742
50 HB21 AIB 7 HB21 AIB 7 21.775 -6.752 -0.911
51 HB22 AIB 7 HB22 AIB 7 22.624 -6.971 -2.385
52 HB23 AIB 7 HB23 AIB 7 21.287 -5.900 -2.316
53 H ALA 8 H ALA 8 22.931 -4.163 -3.765
54 HA ALA 8 HA ALA 8 25.302 -5.181 -4.870
55 HB1 ALA 8 HB1 ALA 8 24.934 -3.581 -6.704
56 HB2 ALA 8 HB2 ALA 8 23.683 -2.777 -5.730
57 HB3 ALA 8 HB3 ALA 8 23.450 -4.458 -6.264
58 H ALA 9 H ALA 9 24.615 -1.840 -3.765
59 HA ALA 9 HA ALA 9 27.215 -0.900 -4.338
60 HB1 ALA 9 HB1 ALA 9 26.597 1.097 -3.043
61 HB2 ALA 9 HB2 ALA 9 25.137 0.256 -2.475
62 HB3 ALA 9 HB3 ALA 9 25.333 0.626 -4.204
63 H TYR 10 H TYR 10 25.851 -2.454 -1.498
64 HA TYR 10 HA TYR 10 27.762 -1.663 0.395
65 HB2 TYR 10 HB2 TYR 10 25.583 -2.850 0.823
66 HB3 TYR 10 HB3 TYR 10 26.407 -4.348 0.325
67 HD1 TYR 10 HD1 TYR 10 26.666 -1.533 2.781
68 HD2 TYR 10 HD2 TYR 10 27.612 -5.592 1.928
69 HE1 TYR 10 HE1 TYR 10 27.542 -1.804 5.062
70 HE2 TYR 10 HE2 TYR 10 28.490 -5.870 4.208
71 HH TYR 10 HH TYR 10 29.466 -3.683 6.084
72 H ALA 11 H ALA 11 27.837 -4.147 -2.088
73 HA ALA 11 HA ALA 11 30.086 -5.577 -1.130
74 HB1 ALA 11 HB1 ALA 11 30.204 -6.533 -3.395
75 HB2 ALA 11 HB2 ALA 11 29.006 -5.340 -3.947
76 HB3 ALA 11 HB3 ALA 11 28.549 -6.566 -2.741
77 H GLN 12 H GLN 12 29.772 -3.083 -3.678
78 HA GLN 12 HA GLN 12 32.513 -2.866 -4.260
79 HB2 GLN 12 HB2 GLN 12 30.401 -1.892 -5.442
80 HB3 GLN 12 HB3 GLN 12 30.694 -0.496 -4.378
81 HG2 GLN 12 HG2 GLN 12 33.072 -1.395 -6.185
82 HG3 GLN 12 HG3 GLN 12 31.515 -0.713 -6.709
83 HE21 GLN 12 HE22 GLN 12 34.361 -0.189 -4.631
84 HE22 GLN 12 HE21 GLN 12 34.240 1.539 -4.594
85 H TRP 13 H TRP 13 30.493 -1.331 -1.823
86 HA TRP 13 HA TRP 13 32.209 0.646 -0.882
87 HB2 TRP 13 HB2 TRP 13 29.851 0.439 -0.149
88 HB3 TRP 13 HB3 TRP 13 30.252 -1.068 0.709
89 HD1 TRP 13 HD1 TRP 13 30.984 2.725 0.894
90 HE1 TRP 13 HE1 TRP 13 31.486 3.285 3.357
91 HE3 TRP 13 HE3 TRP 13 30.921 -1.996 2.834
92 HZ2 TRP 13 HZ2 TRP 13 31.813 1.909 5.803
93 HZ3 TRP 13 HZ3 TRP 13 31.338 -2.296 5.241
94 HH2 TRP 13 HH2 TRP 13 31.774 -0.381 6.695
95 H LEU 14 H LEU 14 31.921 -2.764 0.108
96 HA LEU 14 HA LEU 14 33.946 -2.763 2.061
97 HB2 LEU 14 HB2 LEU 14 32.888 -4.808 0.242
98 HB3 LEU 14 HB3 LEU 14 34.026 -5.317 1.511
99 HG LEU 14 HG LEU 14 31.280 -4.086 1.987
100 HD11 LEU 14 HD11 LEU 14 30.646 -6.304 2.811
101 HD12 LEU 14 HD12 LEU 14 31.117 -6.350 1.096
102 HD13 LEU 14 HD13 LEU 14 32.246 -6.928 2.345
103 HD21 LEU 14 HD21 LEU 14 31.662 -4.659 4.342
104 HD22 LEU 14 HD22 LEU 14 33.297 -5.233 3.935
105 HD23 LEU 14 HD23 LEU 14 32.886 -3.512 3.748
106 H ALA 15 H ALA 15 34.019 -3.417 -1.419
107 HA ALA 15 HA ALA 15 36.665 -4.269 -1.666
108 HB1 ALA 15 HB1 ALA 15 36.465 -3.642 -4.040
109 HB2 ALA 15 HB2 ALA 15 34.962 -2.769 -3.665
110 HB3 ALA 15 HB3 ALA 15 35.041 -4.534 -3.455
111 H ASP 16 H ASP 16 35.346 -1.014 -1.429
112 HA ASP 16 HA ASP 16 37.913 0.199 -2.066
113 HB2 ASP 16 HB2 ASP 16 35.213 1.082 -2.339
114 HB3 ASP 16 HB3 ASP 16 35.968 1.910 -0.955
115 H DAL 17 H DAL 17 37.282 -1.421 0.509
116 HA DAL 17 HA DAL 17 38.808 0.279 2.261
117 HB1 DAL 17 HB1 DAL 17 38.768 -1.639 3.804
118 HB2 DAL 17 HB2 DAL 17 39.294 -2.099 2.168
119 HB3 DAL 17 HB3 DAL 17 37.641 -2.476 2.710
120 H GLY 18 H GLY 18 35.470 -0.252 1.726
121 HA2 GLY 18 HA2 GLY 18 33.575 0.497 2.783
122 HA3 GLY 18 HA3 GLY 18 34.381 0.022 4.296
123 H TRP 19 H TRP 19 35.045 1.566 5.661
124 HA TRP 19 HA TRP 19 34.175 4.223 5.321
125 HB2 TRP 19 HB2 TRP 19 36.015 2.919 7.348
126 HB3 TRP 19 HB3 TRP 19 35.587 4.645 7.420
127 HD1 TRP 19 HD1 TRP 19 34.468 1.371 8.637
128 HE1 TRP 19 HE1 TRP 19 32.089 1.531 9.608
129 HE3 TRP 19 HE3 TRP 19 33.147 5.955 6.800
130 HZ2 TRP 19 HZ2 TRP 19 29.936 3.360 9.596
131 HZ3 TRP 19 HZ3 TRP 19 30.911 6.838 7.324
132 HH2 TRP 19 HH2 TRP 19 29.340 5.565 8.693
133 H ALA 20 H ALA 20 37.233 2.656 4.641
134 HA ALA 20 HA ALA 20 38.572 5.204 4.164
135 HB1 ALA 20 HB1 ALA 20 40.570 3.831 3.727
136 HB2 ALA 20 HB2 ALA 20 39.588 2.363 3.933
137 HB3 ALA 20 HB3 ALA 20 39.837 3.465 5.307
138 H SER 21 H SER 21 36.375 4.790 2.478
139 HA SER 21 HA SER 21 37.467 3.909 -0.083
140 HB2 SER 21 HB2 SER 21 35.274 3.055 0.415
141 HB3 SER 21 HB3 SER 21 34.668 4.688 0.774
142 HG SER 21 HG SER 21 34.317 4.955 -1.288
Start of MODEL 16
1 H1 ARG 1 H1 ARG 1 32.354 7.612 1.211
2 H2 ARG 1 H2 ARG 1 32.131 8.539 2.370
3 H3 ARG 1 H3 ARG 1 32.503 7.106 2.616
4 HA ARG 1 HA ARG 1 29.842 8.102 2.459
5 HB2 ARG 1 HB2 ARG 1 28.949 6.511 0.731
6 HB3 ARG 1 HB3 ARG 1 29.896 7.890 0.126
7 HG2 ARG 1 HG2 ARG 1 31.655 6.562 -0.568
8 HG3 ARG 1 HG3 ARG 1 31.307 5.293 0.631
9 HD2 ARG 1 HD2 ARG 1 30.249 4.129 -0.962
10 HD3 ARG 1 HD3 ARG 1 29.047 5.435 -1.077
11 HE ARG 1 HE ARG 1 31.248 4.906 -2.888
12 HH11 ARG 1 HH11 ARG 1 28.834 7.213 -1.819
13 HH12 ARG 1 HH12 ARG 1 28.881 8.130 -3.312
14 HH21 ARG 1 HH21 ARG 1 31.307 6.098 -4.827
15 HH22 ARG 1 HH22 ARG 1 30.273 7.502 -5.005
16 HA PRO 2 HA PRO 2 29.849 4.802 5.509
17 HB2 PRO 2 HB2 PRO 2 26.945 5.456 5.749
18 HB3 PRO 2 HB3 PRO 2 28.199 5.478 6.997
19 HG2 PRO 2 HG2 PRO 2 27.180 7.763 5.972
20 HG3 PRO 2 HG3 PRO 2 28.869 7.653 6.484
21 HD2 PRO 2 HD2 PRO 2 27.726 7.620 3.681
22 HD3 PRO 2 HD3 PRO 2 29.234 8.334 4.264
23 HA PRO 3 HA PRO 3 28.441 1.100 3.562
24 HB2 PRO 3 HB2 PRO 3 26.844 0.502 6.031
25 HB3 PRO 3 HB3 PRO 3 28.065 -0.491 5.223
26 HG2 PRO 3 HG2 PRO 3 28.545 0.911 7.533
27 HG3 PRO 3 HG3 PRO 3 29.811 0.490 6.371
28 HD2 PRO 3 HD2 PRO 3 28.656 3.149 6.976
29 HD3 PRO 3 HD3 PRO 3 30.152 2.754 6.120
30 HA PRO 4 HA PRO 4 24.341 2.523 2.304
31 HB2 PRO 4 HB2 PRO 4 24.330 1.395 -0.168
32 HB3 PRO 4 HB3 PRO 4 25.284 2.843 0.183
33 HG2 PRO 4 HG2 PRO 4 26.185 -0.048 0.035
34 HG3 PRO 4 HG3 PRO 4 26.979 1.401 -0.596
35 HD2 PRO 4 HD2 PRO 4 27.714 0.191 1.787
36 HD3 PRO 4 HD3 PRO 4 27.966 1.912 1.469
37 H SER 5 H SER 5 22.315 1.597 2.220
38 HA SER 5 HA SER 5 21.942 -0.971 3.330
39 HB2 SER 5 HB2 SER 5 20.013 0.879 1.906
40 HB3 SER 5 HB3 SER 5 19.525 -0.620 2.729
41 HG SER 5 HG SER 5 19.325 1.243 4.086
42 H ASP 6 H ASP 6 21.545 0.217 -0.008
43 HA ASP 6 HA ASP 6 20.445 -2.020 -1.179
44 HB2 ASP 6 HB2 ASP 6 22.429 -0.033 -2.419
45 HB3 ASP 6 HB3 ASP 6 21.569 -1.385 -3.195
46 H AIB 7 H AIB 7 21.153 -3.947 -1.957
47 HB11 AIB 7 HB11 AIB 7 24.362 -6.166 -0.508
48 HB12 AIB 7 HB12 AIB 7 24.270 -4.456 -0.021
49 HB13 AIB 7 HB13 AIB 7 22.933 -5.566 0.364
50 HB21 AIB 7 HB21 AIB 7 21.748 -6.646 -1.390
51 HB22 AIB 7 HB22 AIB 7 22.598 -6.725 -2.878
52 HB23 AIB 7 HB23 AIB 7 21.244 -5.685 -2.717
53 H ALA 8 H ALA 8 22.957 -3.854 -4.047
54 HA ALA 8 HA ALA 8 25.337 -4.815 -5.164
55 HB1 ALA 8 HB1 ALA 8 25.070 -3.037 -6.848
56 HB2 ALA 8 HB2 ALA 8 23.818 -2.285 -5.833
57 HB3 ALA 8 HB3 ALA 8 23.545 -3.898 -6.533
58 H ALA 9 H ALA 9 24.684 -1.638 -3.658
59 HA ALA 9 HA ALA 9 27.289 -0.646 -4.197
60 HB1 ALA 9 HB1 ALA 9 26.654 1.256 -2.773
61 HB2 ALA 9 HB2 ALA 9 25.193 0.374 -2.274
62 HB3 ALA 9 HB3 ALA 9 25.398 0.864 -3.972
63 H TYR 10 H TYR 10 25.871 -2.369 -1.494
64 HA TYR 10 HA TYR 10 27.752 -1.763 0.491
65 HB2 TYR 10 HB2 TYR 10 25.621 -2.846 0.954
66 HB3 TYR 10 HB3 TYR 10 26.158 -4.291 0.063
67 HD1 TYR 10 HD1 TYR 10 26.944 -2.201 3.059
68 HD2 TYR 10 HD2 TYR 10 27.334 -6.006 1.197
69 HE1 TYR 10 HE1 TYR 10 27.907 -3.112 5.132
70 HE2 TYR 10 HE2 TYR 10 28.304 -6.924 3.261
71 HH TYR 10 HH TYR 10 28.913 -6.513 5.352
72 H ALA 11 H ALA 11 27.858 -4.051 -2.173
73 HA ALA 11 HA ALA 11 30.088 -5.554 -1.238
74 HB1 ALA 11 HB1 ALA 11 30.177 -6.460 -3.526
75 HB2 ALA 11 HB2 ALA 11 28.979 -5.250 -4.038
76 HB3 ALA 11 HB3 ALA 11 28.529 -6.500 -2.855
77 H GLN 12 H GLN 12 29.766 -3.031 -3.754
78 HA GLN 12 HA GLN 12 32.505 -2.811 -4.339
79 HB2 GLN 12 HB2 GLN 12 30.360 -1.827 -5.491
80 HB3 GLN 12 HB3 GLN 12 30.718 -0.424 -4.456
81 HG2 GLN 12 HG2 GLN 12 32.008 0.031 -6.667
82 HG3 GLN 12 HG3 GLN 12 32.909 -0.494 -5.225
83 HE21 GLN 12 HE22 GLN 12 34.641 -1.516 -6.081
84 HE22 GLN 12 HE21 GLN 12 34.555 -2.850 -7.184
85 H TRP 13 H TRP 13 30.504 -1.334 -1.856
86 HA TRP 13 HA TRP 13 32.224 0.667 -0.947
87 HB2 TRP 13 HB2 TRP 13 29.884 0.482 -0.176
88 HB3 TRP 13 HB3 TRP 13 30.271 -1.044 0.655
89 HD1 TRP 13 HD1 TRP 13 30.976 2.740 0.904
90 HE1 TRP 13 HE1 TRP 13 31.557 3.261 3.358
91 HE3 TRP 13 HE3 TRP 13 31.081 -2.020 2.735
92 HZ2 TRP 13 HZ2 TRP 13 31.997 1.837 5.757
93 HZ3 TRP 13 HZ3 TRP 13 31.594 -2.365 5.118
94 HH2 TRP 13 HH2 TRP 13 32.045 -0.473 6.597
95 H LEU 14 H LEU 14 31.994 -2.763 -0.016
96 HA LEU 14 HA LEU 14 34.038 -2.754 1.929
97 HB2 LEU 14 HB2 LEU 14 32.991 -4.791 0.095
98 HB3 LEU 14 HB3 LEU 14 34.151 -5.297 1.345
99 HG LEU 14 HG LEU 14 31.386 -4.126 1.861
100 HD11 LEU 14 HD11 LEU 14 30.809 -6.367 2.666
101 HD12 LEU 14 HD12 LEU 14 31.265 -6.383 0.946
102 HD13 LEU 14 HD13 LEU 14 32.417 -6.951 2.178
103 HD21 LEU 14 HD21 LEU 14 31.802 -4.718 4.206
104 HD22 LEU 14 HD22 LEU 14 33.446 -5.252 3.779
105 HD23 LEU 14 HD23 LEU 14 32.996 -3.538 3.615
106 H ALA 15 H ALA 15 34.066 -3.364 -1.556
107 HA ALA 15 HA ALA 15 36.710 -4.184 -1.864
108 HB1 ALA 15 HB1 ALA 15 36.463 -3.521 -4.222
109 HB2 ALA 15 HB2 ALA 15 34.959 -2.668 -3.807
110 HB3 ALA 15 HB3 ALA 15 35.058 -4.435 -3.624
111 H ASP 16 H ASP 16 35.388 -0.937 -1.534
112 HA ASP 16 HA ASP 16 37.940 0.291 -2.213
113 HB2 ASP 16 HB2 ASP 16 35.269 1.181 -2.477
114 HB3 ASP 16 HB3 ASP 16 35.957 1.936 -1.018
115 H DAL 17 H DAL 17 37.391 -1.379 0.342
116 HA DAL 17 HA DAL 17 38.924 0.327 2.092
117 HB1 DAL 17 HB1 DAL 17 39.015 -1.634 3.575
118 HB2 DAL 17 HB2 DAL 17 39.510 -2.022 1.911
119 HB3 DAL 17 HB3 DAL 17 37.893 -2.488 2.489
120 H GLY 18 H GLY 18 35.607 -0.218 1.602
121 HA2 GLY 18 HA2 GLY 18 33.720 0.421 2.741
122 HA3 GLY 18 HA3 GLY 18 34.560 -0.132 4.208
123 H TRP 19 H TRP 19 35.120 1.342 5.676
124 HA TRP 19 HA TRP 19 34.280 4.023 5.432
125 HB2 TRP 19 HB2 TRP 19 35.997 2.586 7.475
126 HB3 TRP 19 HB3 TRP 19 35.615 4.319 7.611
127 HD1 TRP 19 HD1 TRP 19 34.346 1.022 8.608
128 HE1 TRP 19 HE1 TRP 19 31.934 1.208 9.485
129 HE3 TRP 19 HE3 TRP 19 33.247 5.733 6.962
130 HZ2 TRP 19 HZ2 TRP 19 29.841 3.104 9.479
131 HZ3 TRP 19 HZ3 TRP 19 31.017 6.659 7.437
132 HH2 TRP 19 HH2 TRP 19 29.350 5.369 8.669
133 H ALA 20 H ALA 20 37.348 2.453 4.819
134 HA ALA 20 HA ALA 20 38.744 4.997 4.529
135 HB1 ALA 20 HB1 ALA 20 40.734 3.612 4.102
136 HB2 ALA 20 HB2 ALA 20 39.720 2.153 4.186
137 HB3 ALA 20 HB3 ALA 20 39.928 3.176 5.627
138 H SER 21 H SER 21 36.627 4.755 2.737
139 HA SER 21 HA SER 21 37.813 3.999 0.170
140 HB2 SER 21 HB2 SER 21 35.622 3.090 0.502
141 HB3 SER 21 HB3 SER 21 34.979 4.675 0.991
142 HG SER 21 HG SER 21 34.504 4.070 -1.227
Start of MODEL 17
1 H1 ARG 1 H1 ARG 1 32.771 7.211 0.361
2 H2 ARG 1 H2 ARG 1 32.675 8.341 1.342
3 H3 ARG 1 H3 ARG 1 32.923 6.944 1.829
4 HA ARG 1 HA ARG 1 30.357 8.146 1.543
5 HB2 ARG 1 HB2 ARG 1 29.216 6.690 0.038
6 HB3 ARG 1 HB3 ARG 1 30.640 7.371 -0.784
7 HG2 ARG 1 HG2 ARG 1 31.705 5.076 0.187
8 HG3 ARG 1 HG3 ARG 1 30.017 4.559 -0.038
9 HD2 ARG 1 HD2 ARG 1 30.891 6.062 -2.340
10 HD3 ARG 1 HD3 ARG 1 32.055 4.761 -1.996
11 HE ARG 1 HE ARG 1 29.226 4.443 -2.699
12 HH11 ARG 1 HH11 ARG 1 32.317 2.974 -1.939
13 HH12 ARG 1 HH12 ARG 1 31.850 1.399 -2.549
14 HH21 ARG 1 HH21 ARG 1 28.619 2.398 -3.487
15 HH22 ARG 1 HH22 ARG 1 29.766 1.075 -3.420
16 HA PRO 2 HA PRO 2 29.910 5.382 5.029
17 HB2 PRO 2 HB2 PRO 2 27.005 5.976 4.985
18 HB3 PRO 2 HB3 PRO 2 28.198 6.379 6.228
19 HG2 PRO 2 HG2 PRO 2 27.086 8.261 4.607
20 HG3 PRO 2 HG3 PRO 2 28.723 8.420 5.259
21 HD2 PRO 2 HD2 PRO 2 27.855 7.615 2.471
22 HD3 PRO 2 HD3 PRO 2 29.240 8.594 2.971
23 HA PRO 3 HA PRO 3 28.490 1.445 3.598
24 HB2 PRO 3 HB2 PRO 3 26.922 0.611 5.794
25 HB3 PRO 3 HB3 PRO 3 28.669 0.378 5.641
26 HG2 PRO 3 HG2 PRO 3 27.152 2.518 7.123
27 HG3 PRO 3 HG3 PRO 3 28.655 1.697 7.564
28 HD2 PRO 3 HD2 PRO 3 28.700 4.223 6.583
29 HD3 PRO 3 HD3 PRO 3 29.978 3.078 6.159
30 HA PRO 4 HA PRO 4 24.388 2.704 2.168
31 HB2 PRO 4 HB2 PRO 4 24.468 1.466 -0.244
32 HB3 PRO 4 HB3 PRO 4 25.383 2.950 0.057
33 HG2 PRO 4 HG2 PRO 4 26.348 0.075 0.074
34 HG3 PRO 4 HG3 PRO 4 27.123 1.506 -0.619
35 HD2 PRO 4 HD2 PRO 4 27.824 0.438 1.849
36 HD3 PRO 4 HD3 PRO 4 28.069 2.138 1.430
37 H SER 5 H SER 5 22.463 1.747 2.464
38 HA SER 5 HA SER 5 22.168 -0.729 3.676
39 HB2 SER 5 HB2 SER 5 20.159 0.920 2.127
40 HB3 SER 5 HB3 SER 5 19.731 -0.508 3.097
41 HG SER 5 HG SER 5 19.504 1.469 4.278
42 H ASP 6 H ASP 6 21.441 0.090 0.274
43 HA ASP 6 HA ASP 6 20.410 -2.287 -0.601
44 HB2 ASP 6 HB2 ASP 6 22.235 -0.382 -2.181
45 HB3 ASP 6 HB3 ASP 6 21.370 -1.832 -2.750
46 H AIB 7 H AIB 7 21.290 -4.110 -1.761
47 HB11 AIB 7 HB11 AIB 7 24.525 -6.200 -0.055
48 HB12 AIB 7 HB12 AIB 7 24.410 -4.463 0.316
49 HB13 AIB 7 HB13 AIB 7 23.111 -5.569 0.820
50 HB21 AIB 7 HB21 AIB 7 21.845 -6.749 -0.795
51 HB22 AIB 7 HB22 AIB 7 22.707 -6.989 -2.258
52 HB23 AIB 7 HB23 AIB 7 21.354 -5.937 -2.223
53 H ALA 8 H ALA 8 23.018 -4.089 -3.655
54 HA ALA 8 HA ALA 8 25.340 -5.206 -4.772
55 HB1 ALA 8 HB1 ALA 8 25.024 -3.596 -6.607
56 HB2 ALA 8 HB2 ALA 8 23.810 -2.742 -5.627
57 HB3 ALA 8 HB3 ALA 8 23.510 -4.414 -6.156
58 H ALA 9 H ALA 9 24.797 -1.822 -3.710
59 HA ALA 9 HA ALA 9 27.464 -1.040 -4.244
60 HB1 ALA 9 HB1 ALA 9 26.911 1.037 -3.049
61 HB2 ALA 9 HB2 ALA 9 25.385 0.300 -2.510
62 HB3 ALA 9 HB3 ALA 9 25.669 0.589 -4.242
63 H TYR 10 H TYR 10 25.926 -2.411 -1.393
64 HA TYR 10 HA TYR 10 27.808 -1.622 0.531
65 HB2 TYR 10 HB2 TYR 10 25.562 -2.714 0.913
66 HB3 TYR 10 HB3 TYR 10 26.365 -4.259 0.543
67 HD1 TYR 10 HD1 TYR 10 26.839 -1.263 2.761
68 HD2 TYR 10 HD2 TYR 10 27.216 -5.480 2.349
69 HE1 TYR 10 HE1 TYR 10 27.600 -1.415 5.091
70 HE2 TYR 10 HE2 TYR 10 27.980 -5.643 4.681
71 HH TYR 10 HH TYR 10 27.507 -3.691 6.915
72 H ALA 11 H ALA 11 27.869 -4.214 -1.840
73 HA ALA 11 HA ALA 11 30.049 -5.664 -0.745
74 HB1 ALA 11 HB1 ALA 11 30.179 -6.750 -2.951
75 HB2 ALA 11 HB2 ALA 11 29.026 -5.557 -3.591
76 HB3 ALA 11 HB3 ALA 11 28.513 -6.699 -2.327
77 H GLN 12 H GLN 12 29.874 -3.366 -3.486
78 HA GLN 12 HA GLN 12 32.628 -3.243 -3.998
79 HB2 GLN 12 HB2 GLN 12 30.557 -2.311 -5.293
80 HB3 GLN 12 HB3 GLN 12 30.879 -0.845 -4.338
81 HG2 GLN 12 HG2 GLN 12 32.259 -0.545 -6.525
82 HG3 GLN 12 HG3 GLN 12 33.095 -0.959 -5.010
83 HE21 GLN 12 HE22 GLN 12 34.812 -2.165 -5.528
84 HE22 GLN 12 HE21 GLN 12 34.800 -3.524 -6.602
85 H TRP 13 H TRP 13 30.597 -1.547 -1.700
86 HA TRP 13 HA TRP 13 32.321 0.483 -0.866
87 HB2 TRP 13 HB2 TRP 13 29.946 0.370 -0.186
88 HB3 TRP 13 HB3 TRP 13 30.287 -1.091 0.772
89 HD1 TRP 13 HD1 TRP 13 31.168 2.677 0.738
90 HE1 TRP 13 HE1 TRP 13 31.574 3.382 3.179
91 HE3 TRP 13 HE3 TRP 13 30.785 -1.891 2.984
92 HZ2 TRP 13 HZ2 TRP 13 31.715 2.169 5.724
93 HZ3 TRP 13 HZ3 TRP 13 31.072 -2.041 5.425
94 HH2 TRP 13 HH2 TRP 13 31.526 -0.050 6.766
95 H LEU 14 H LEU 14 31.935 -2.837 0.372
96 HA LEU 14 HA LEU 14 33.914 -2.729 2.366
97 HB2 LEU 14 HB2 LEU 14 32.862 -4.884 0.673
98 HB3 LEU 14 HB3 LEU 14 33.952 -5.317 2.010
99 HG LEU 14 HG LEU 14 31.218 -4.007 2.304
100 HD11 LEU 14 HD11 LEU 14 30.517 -6.140 3.282
101 HD12 LEU 14 HD12 LEU 14 31.037 -6.329 1.591
102 HD13 LEU 14 HD13 LEU 14 32.117 -6.826 2.915
103 HD21 LEU 14 HD21 LEU 14 31.518 -4.392 4.708
104 HD22 LEU 14 HD22 LEU 14 33.155 -5.022 4.400
105 HD23 LEU 14 HD23 LEU 14 32.779 -3.315 4.062
106 H ALA 15 H ALA 15 34.051 -3.675 -1.043
107 HA ALA 15 HA ALA 15 36.725 -4.526 -1.122
108 HB1 ALA 15 HB1 ALA 15 36.547 -4.235 -3.563
109 HB2 ALA 15 HB2 ALA 15 35.013 -3.365 -3.330
110 HB3 ALA 15 HB3 ALA 15 35.139 -5.081 -2.878
111 H ASP 16 H ASP 16 35.328 -1.312 -1.238
112 HA ASP 16 HA ASP 16 37.835 -0.104 -2.083
113 HB2 ASP 16 HB2 ASP 16 35.112 0.672 -2.376
114 HB3 ASP 16 HB3 ASP 16 35.858 1.651 -1.088
115 H DAL 17 H DAL 17 37.287 -1.449 0.679
116 HA DAL 17 HA DAL 17 38.829 0.470 2.183
117 HB1 DAL 17 HB1 DAL 17 38.930 -1.284 3.907
118 HB2 DAL 17 HB2 DAL 17 39.418 -1.881 2.304
119 HB3 DAL 17 HB3 DAL 17 37.804 -2.271 2.944
120 H GLY 18 H GLY 18 35.496 -0.239 1.846
121 HA2 GLY 18 HA2 GLY 18 33.615 0.546 2.908
122 HA3 GLY 18 HA3 GLY 18 34.497 0.242 4.423
123 H TRP 19 H TRP 19 35.164 1.930 5.610
124 HA TRP 19 HA TRP 19 34.186 4.518 5.046
125 HB2 TRP 19 HB2 TRP 19 36.087 3.450 7.148
126 HB3 TRP 19 HB3 TRP 19 35.659 5.175 7.055
127 HD1 TRP 19 HD1 TRP 19 34.603 2.088 8.687
128 HE1 TRP 19 HE1 TRP 19 32.233 2.327 9.662
129 HE3 TRP 19 HE3 TRP 19 33.155 6.355 6.270
130 HZ2 TRP 19 HZ2 TRP 19 30.039 4.092 9.437
131 HZ3 TRP 19 HZ3 TRP 19 30.907 7.252 6.706
132 HH2 TRP 19 HH2 TRP 19 29.382 6.142 8.255
133 H ALA 20 H ALA 20 37.251 2.978 4.384
134 HA ALA 20 HA ALA 20 38.503 5.512 3.655
135 HB1 ALA 20 HB1 ALA 20 40.527 4.164 3.271
136 HB2 ALA 20 HB2 ALA 20 39.598 2.692 3.637
137 HB3 ALA 20 HB3 ALA 20 39.856 3.918 4.901
138 H SER 21 H SER 21 36.262 4.868 2.093
139 HA SER 21 HA SER 21 37.308 3.822 -0.426
140 HB2 SER 21 HB2 SER 21 35.180 2.905 0.249
141 HB3 SER 21 HB3 SER 21 34.499 4.534 0.459
142 HG SER 21 HG SER 21 34.157 4.644 -1.630
Start of MODEL 18
1 H1 ARG 1 H1 ARG 1 32.662 7.712 1.095
2 H2 ARG 1 H2 ARG 1 32.467 8.709 2.199
3 H3 ARG 1 H3 ARG 1 32.845 7.295 2.524
4 HA ARG 1 HA ARG 1 30.179 8.281 2.371
5 HB2 ARG 1 HB2 ARG 1 29.200 6.716 0.743
6 HB3 ARG 1 HB3 ARG 1 30.312 7.899 0.016
7 HG2 ARG 1 HG2 ARG 1 32.090 6.161 -0.013
8 HG3 ARG 1 HG3 ARG 1 30.917 4.984 0.626
9 HD2 ARG 1 HD2 ARG 1 30.516 6.516 -1.964
10 HD3 ARG 1 HD3 ARG 1 31.274 4.908 -1.883
11 HE ARG 1 HE ARG 1 29.203 3.984 -1.313
12 HH11 ARG 1 HH11 ARG 1 28.961 7.454 -1.748
13 HH12 ARG 1 HH12 ARG 1 27.213 7.433 -1.871
14 HH21 ARG 1 HH21 ARG 1 26.938 3.956 -1.469
15 HH22 ARG 1 HH22 ARG 1 26.073 5.461 -1.713
16 HA PRO 2 HA PRO 2 29.863 4.969 5.308
17 HB2 PRO 2 HB2 PRO 2 27.269 5.263 6.051
18 HB3 PRO 2 HB3 PRO 2 28.473 6.499 6.442
19 HG2 PRO 2 HG2 PRO 2 26.411 6.471 4.231
20 HG3 PRO 2 HG3 PRO 2 26.945 7.819 5.244
21 HD2 PRO 2 HD2 PRO 2 27.861 7.341 2.634
22 HD3 PRO 2 HD3 PRO 2 28.722 8.326 3.823
23 HA PRO 3 HA PRO 3 28.409 1.180 3.545
24 HB2 PRO 3 HB2 PRO 3 26.712 0.692 5.963
25 HB3 PRO 3 HB3 PRO 3 27.998 -0.314 5.281
26 HG2 PRO 3 HG2 PRO 3 28.307 1.207 7.544
27 HG3 PRO 3 HG3 PRO 3 29.650 0.755 6.485
28 HD2 PRO 3 HD2 PRO 3 28.378 3.416 6.859
29 HD3 PRO 3 HD3 PRO 3 29.965 3.023 6.188
30 HA PRO 4 HA PRO 4 24.376 2.624 2.098
31 HB2 PRO 4 HB2 PRO 4 24.399 1.350 -0.307
32 HB3 PRO 4 HB3 PRO 4 25.360 2.806 -0.018
33 HG2 PRO 4 HG2 PRO 4 26.231 -0.094 0.007
34 HG3 PRO 4 HG3 PRO 4 27.060 1.315 -0.669
35 HD2 PRO 4 HD2 PRO 4 27.708 0.212 1.795
36 HD3 PRO 4 HD3 PRO 4 27.998 1.911 1.398
37 H SER 5 H SER 5 22.328 1.737 1.957
38 HA SER 5 HA SER 5 21.852 -0.733 3.240
39 HB2 SER 5 HB2 SER 5 20.023 1.050 1.616
40 HB3 SER 5 HB3 SER 5 19.469 -0.375 2.526
41 HG SER 5 HG SER 5 19.266 1.587 3.738
42 H ASP 6 H ASP 6 21.594 0.208 -0.192
43 HA ASP 6 HA ASP 6 20.470 -2.119 -1.183
44 HB2 ASP 6 HB2 ASP 6 22.422 -0.207 -2.584
45 HB3 ASP 6 HB3 ASP 6 21.581 -1.629 -3.250
46 H AIB 7 H AIB 7 21.231 -4.058 -1.959
47 HB11 AIB 7 HB11 AIB 7 24.392 -6.251 -0.365
48 HB12 AIB 7 HB12 AIB 7 24.286 -4.541 0.116
49 HB13 AIB 7 HB13 AIB 7 22.939 -5.650 0.465
50 HB21 AIB 7 HB21 AIB 7 21.806 -6.717 -1.226
51 HB22 AIB 7 HB22 AIB 7 22.654 -6.845 -2.711
52 HB23 AIB 7 HB23 AIB 7 21.309 -5.791 -2.580
53 H ALA 8 H ALA 8 23.066 -4.050 -3.983
54 HA ALA 8 HA ALA 8 25.459 -5.067 -5.017
55 HB1 ALA 8 HB1 ALA 8 25.225 -3.367 -6.784
56 HB2 ALA 8 HB2 ALA 8 23.960 -2.566 -5.824
57 HB3 ALA 8 HB3 ALA 8 23.693 -4.209 -6.454
58 H ALA 9 H ALA 9 24.798 -1.818 -3.666
59 HA ALA 9 HA ALA 9 27.427 -0.877 -4.195
60 HB1 ALA 9 HB1 ALA 9 26.785 1.098 -2.878
61 HB2 ALA 9 HB2 ALA 9 25.301 0.258 -2.372
62 HB3 ALA 9 HB3 ALA 9 25.551 0.665 -4.086
63 H TYR 10 H TYR 10 25.933 -2.472 -1.460
64 HA TYR 10 HA TYR 10 27.766 -1.785 0.543
65 HB2 TYR 10 HB2 TYR 10 25.618 -2.841 0.998
66 HB3 TYR 10 HB3 TYR 10 26.176 -4.326 0.191
67 HD1 TYR 10 HD1 TYR 10 26.897 -2.095 3.098
68 HD2 TYR 10 HD2 TYR 10 27.314 -5.986 1.437
69 HE1 TYR 10 HE1 TYR 10 27.802 -2.905 5.237
70 HE2 TYR 10 HE2 TYR 10 28.227 -6.806 3.566
71 HH TYR 10 HH TYR 10 28.607 -4.642 6.358
72 H ALA 11 H ALA 11 27.935 -4.174 -2.022
73 HA ALA 11 HA ALA 11 30.135 -5.642 -0.963
74 HB1 ALA 11 HB1 ALA 11 30.274 -6.655 -3.203
75 HB2 ALA 11 HB2 ALA 11 29.089 -5.469 -3.797
76 HB3 ALA 11 HB3 ALA 11 28.612 -6.663 -2.567
77 H GLN 12 H GLN 12 29.879 -3.230 -3.599
78 HA GLN 12 HA GLN 12 32.638 -3.046 -4.119
79 HB2 GLN 12 HB2 GLN 12 30.534 -2.114 -5.380
80 HB3 GLN 12 HB3 GLN 12 30.858 -0.666 -4.397
81 HG2 GLN 12 HG2 GLN 12 33.066 -1.809 -6.329
82 HG3 GLN 12 HG3 GLN 12 31.667 -0.745 -6.602
83 HE21 GLN 12 HE22 GLN 12 34.872 -1.056 -5.285
84 HE22 GLN 12 HE21 GLN 12 35.068 0.596 -4.803
85 H TRP 13 H TRP 13 30.565 -1.447 -1.774
86 HA TRP 13 HA TRP 13 32.251 0.590 -0.898
87 HB2 TRP 13 HB2 TRP 13 29.883 0.404 -0.196
88 HB3 TRP 13 HB3 TRP 13 30.272 -1.065 0.731
89 HD1 TRP 13 HD1 TRP 13 30.907 2.739 0.782
90 HE1 TRP 13 HE1 TRP 13 31.387 3.406 3.220
91 HE3 TRP 13 HE3 TRP 13 31.028 -1.909 2.879
92 HZ2 TRP 13 HZ2 TRP 13 31.767 2.128 5.711
93 HZ3 TRP 13 HZ3 TRP 13 31.461 -2.112 5.293
94 HH2 TRP 13 HH2 TRP 13 31.825 -0.131 6.679
95 H LEU 14 H LEU 14 32.007 -2.796 0.178
96 HA LEU 14 HA LEU 14 34.004 -2.690 2.171
97 HB2 LEU 14 HB2 LEU 14 32.987 -4.815 0.422
98 HB3 LEU 14 HB3 LEU 14 34.121 -5.261 1.718
99 HG LEU 14 HG LEU 14 31.350 -4.058 2.118
100 HD11 LEU 14 HD11 LEU 14 30.756 -6.254 3.030
101 HD12 LEU 14 HD12 LEU 14 31.247 -6.363 1.324
102 HD13 LEU 14 HD13 LEU 14 32.374 -6.861 2.609
103 HD21 LEU 14 HD21 LEU 14 31.720 -4.522 4.499
104 HD22 LEU 14 HD22 LEU 14 33.370 -5.083 4.133
105 HD23 LEU 14 HD23 LEU 14 32.930 -3.379 3.869
106 H ALA 15 H ALA 15 34.110 -3.542 -1.267
107 HA ALA 15 HA ALA 15 36.763 -4.357 -1.465
108 HB1 ALA 15 HB1 ALA 15 36.567 -3.845 -3.866
109 HB2 ALA 15 HB2 ALA 15 35.053 -2.971 -3.538
110 HB3 ALA 15 HB3 ALA 15 35.150 -4.723 -3.242
111 H ASP 16 H ASP 16 35.420 -1.107 -1.367
112 HA ASP 16 HA ASP 16 37.976 0.095 -2.071
113 HB2 ASP 16 HB2 ASP 16 35.273 0.946 -2.383
114 HB3 ASP 16 HB3 ASP 16 36.014 1.836 -1.030
115 H DAL 17 H DAL 17 37.378 -1.414 0.576
116 HA DAL 17 HA DAL 17 38.881 0.393 2.244
117 HB1 DAL 17 HB1 DAL 17 38.921 -1.468 3.854
118 HB2 DAL 17 HB2 DAL 17 39.446 -1.968 2.230
119 HB3 DAL 17 HB3 DAL 17 37.813 -2.380 2.802
120 H GLY 18 H GLY 18 35.551 -0.347 1.806
121 HA2 GLY 18 HA2 GLY 18 33.643 0.383 2.856
122 HA3 GLY 18 HA3 GLY 18 34.499 0.023 4.374
123 H TRP 19 H TRP 19 35.065 1.666 5.659
124 HA TRP 19 HA TRP 19 34.094 4.266 5.152
125 HB2 TRP 19 HB2 TRP 19 35.829 3.063 7.309
126 HB3 TRP 19 HB3 TRP 19 35.553 4.820 7.247
127 HD1 TRP 19 HD1 TRP 19 34.095 1.728 8.611
128 HE1 TRP 19 HE1 TRP 19 31.723 2.170 9.504
129 HE3 TRP 19 HE3 TRP 19 33.285 6.319 6.518
130 HZ2 TRP 19 HZ2 TRP 19 29.765 4.201 9.342
131 HZ3 TRP 19 HZ3 TRP 19 31.138 7.445 6.935
132 HH2 TRP 19 HH2 TRP 19 29.415 6.405 8.317
133 H ALA 20 H ALA 20 37.211 2.776 4.608
134 HA ALA 20 HA ALA 20 38.486 5.337 4.048
135 HB1 ALA 20 HB1 ALA 20 40.522 4.003 3.675
136 HB2 ALA 20 HB2 ALA 20 39.575 2.517 3.920
137 HB3 ALA 20 HB3 ALA 20 39.782 3.670 5.259
138 H SER 21 H SER 21 36.319 4.819 2.361
139 HA SER 21 HA SER 21 37.470 3.907 -0.168
140 HB2 SER 21 HB2 SER 21 35.338 2.925 0.325
141 HB3 SER 21 HB3 SER 21 34.628 4.517 0.676
142 HG SER 21 HG SER 21 34.182 3.595 -1.482
Start of MODEL 19
1 H1 ARG 1 H1 ARG 1 32.822 7.665 2.052
2 H2 ARG 1 H2 ARG 1 32.602 8.517 3.267
3 H3 ARG 1 H3 ARG 1 32.976 7.072 3.421
4 HA ARG 1 HA ARG 1 30.313 8.071 3.339
5 HB2 ARG 1 HB2 ARG 1 29.357 6.774 1.503
6 HB3 ARG 1 HB3 ARG 1 30.540 7.980 0.945
7 HG2 ARG 1 HG2 ARG 1 32.250 6.127 0.850
8 HG3 ARG 1 HG3 ARG 1 30.930 4.978 1.181
9 HD2 ARG 1 HD2 ARG 1 30.990 6.905 -1.168
10 HD3 ARG 1 HD3 ARG 1 31.493 5.201 -1.251
11 HE ARG 1 HE ARG 1 29.252 4.553 -0.989
12 HH11 ARG 1 HH11 ARG 1 29.584 8.043 -1.030
13 HH12 ARG 1 HH12 ARG 1 27.883 8.317 -1.352
14 HH21 ARG 1 HH21 ARG 1 27.047 4.909 -1.409
15 HH22 ARG 1 HH22 ARG 1 26.454 6.551 -1.565
16 HA PRO 2 HA PRO 2 29.952 4.411 5.823
17 HB2 PRO 2 HB2 PRO 2 27.358 4.630 6.581
18 HB3 PRO 2 HB3 PRO 2 28.566 5.802 7.127
19 HG2 PRO 2 HG2 PRO 2 26.514 6.060 4.920
20 HG3 PRO 2 HG3 PRO 2 27.055 7.271 6.091
21 HD2 PRO 2 HD2 PRO 2 27.980 7.093 3.442
22 HD3 PRO 2 HD3 PRO 2 28.833 7.936 4.741
23 HA PRO 3 HA PRO 3 28.480 0.913 3.543
24 HB2 PRO 3 HB2 PRO 3 26.861 0.016 5.883
25 HB3 PRO 3 HB3 PRO 3 28.181 -0.821 5.054
26 HG2 PRO 3 HG2 PRO 3 28.430 0.373 7.521
27 HG3 PRO 3 HG3 PRO 3 29.788 0.093 6.422
28 HD2 PRO 3 HD2 PRO 3 28.472 2.655 7.148
29 HD3 PRO 3 HD3 PRO 3 30.063 2.383 6.425
30 HA PRO 4 HA PRO 4 24.380 2.425 2.422
31 HB2 PRO 4 HB2 PRO 4 24.307 1.417 -0.097
32 HB3 PRO 4 HB3 PRO 4 25.306 2.820 0.305
33 HG2 PRO 4 HG2 PRO 4 26.123 -0.085 0.015
34 HG3 PRO 4 HG3 PRO 4 26.945 1.367 -0.571
35 HD2 PRO 4 HD2 PRO 4 27.690 0.043 1.748
36 HD3 PRO 4 HD3 PRO 4 27.978 1.769 1.498
37 H SER 5 H SER 5 22.320 1.539 2.239
38 HA SER 5 HA SER 5 21.898 -1.049 3.290
39 HB2 SER 5 HB2 SER 5 20.011 0.869 1.904
40 HB3 SER 5 HB3 SER 5 19.492 -0.643 2.683
41 HG SER 5 HG SER 5 19.314 1.186 4.089
42 H ASP 6 H ASP 6 21.605 0.228 -0.020
43 HA ASP 6 HA ASP 6 20.421 -1.969 -1.224
44 HB2 ASP 6 HB2 ASP 6 22.362 0.070 -2.446
45 HB3 ASP 6 HB3 ASP 6 21.509 -1.272 -3.249
46 H AIB 7 H AIB 7 21.115 -3.850 -2.138
47 HB11 AIB 7 HB11 AIB 7 24.321 -6.141 -0.817
48 HB12 AIB 7 HB12 AIB 7 24.237 -4.454 -0.257
49 HB13 AIB 7 HB13 AIB 7 22.899 -5.575 0.089
50 HB21 AIB 7 HB21 AIB 7 21.710 -6.585 -1.705
51 HB22 AIB 7 HB22 AIB 7 22.555 -6.596 -3.197
52 HB23 AIB 7 HB23 AIB 7 21.200 -5.567 -2.987
53 H ALA 8 H ALA 8 22.886 -3.697 -4.250
54 HA ALA 8 HA ALA 8 25.266 -4.588 -5.423
55 HB1 ALA 8 HB1 ALA 8 24.981 -2.738 -7.023
56 HB2 ALA 8 HB2 ALA 8 23.730 -2.039 -5.969
57 HB3 ALA 8 HB3 ALA 8 23.461 -3.620 -6.739
58 H ALA 9 H ALA 9 24.597 -1.480 -3.787
59 HA ALA 9 HA ALA 9 27.188 -0.442 -4.281
60 HB1 ALA 9 HB1 ALA 9 26.553 1.372 -2.748
61 HB2 ALA 9 HB2 ALA 9 25.105 0.450 -2.282
62 HB3 ALA 9 HB3 ALA 9 25.287 1.035 -3.953
63 H TYR 10 H TYR 10 25.810 -2.317 -1.657
64 HA TYR 10 HA TYR 10 27.706 -1.802 0.337
65 HB2 TYR 10 HB2 TYR 10 25.594 -2.938 0.760
66 HB3 TYR 10 HB3 TYR 10 26.143 -4.326 -0.211
67 HD1 TYR 10 HD1 TYR 10 26.938 -2.381 2.878
68 HD2 TYR 10 HD2 TYR 10 27.359 -6.078 0.819
69 HE1 TYR 10 HE1 TYR 10 27.940 -3.380 4.889
70 HE2 TYR 10 HE2 TYR 10 28.368 -7.087 2.821
71 HH TYR 10 HH TYR 10 28.996 -6.775 4.925
72 H ALA 11 H ALA 11 27.823 -3.923 -2.457
73 HA ALA 11 HA ALA 11 30.083 -5.446 -1.620
74 HB1 ALA 11 HB1 ALA 11 30.156 -6.235 -3.952
75 HB2 ALA 11 HB2 ALA 11 28.932 -5.021 -4.387
76 HB3 ALA 11 HB3 ALA 11 28.519 -6.336 -3.262
77 H GLN 12 H GLN 12 29.692 -2.794 -3.993
78 HA GLN 12 HA GLN 12 32.425 -2.509 -4.595
79 HB2 GLN 12 HB2 GLN 12 30.255 -1.505 -5.680
80 HB3 GLN 12 HB3 GLN 12 30.601 -0.148 -4.582
81 HG2 GLN 12 HG2 GLN 12 31.877 0.447 -6.761
82 HG3 GLN 12 HG3 GLN 12 32.799 -0.175 -5.373
83 HE21 GLN 12 HE22 GLN 12 34.529 -1.049 -6.428
84 HE22 GLN 12 HE21 GLN 12 34.413 -2.341 -7.576
85 H TRP 13 H TRP 13 30.422 -1.205 -2.023
86 HA TRP 13 HA TRP 13 32.102 0.787 -1.020
87 HB2 TRP 13 HB2 TRP 13 29.766 0.489 -0.256
88 HB3 TRP 13 HB3 TRP 13 30.210 -1.058 0.504
89 HD1 TRP 13 HD1 TRP 13 30.759 2.735 0.932
90 HE1 TRP 13 HE1 TRP 13 31.329 3.155 3.408
91 HE3 TRP 13 HE3 TRP 13 31.090 -2.102 2.518
92 HZ2 TRP 13 HZ2 TRP 13 31.847 1.632 5.731
93 HZ3 TRP 13 HZ3 TRP 13 31.633 -2.545 4.878
94 HH2 TRP 13 HH2 TRP 13 32.005 -0.712 6.450
95 H LEU 14 H LEU 14 31.963 -2.694 -0.290
96 HA LEU 14 HA LEU 14 34.026 -2.746 1.640
97 HB2 LEU 14 HB2 LEU 14 32.990 -4.708 -0.281
98 HB3 LEU 14 HB3 LEU 14 34.174 -5.255 0.929
99 HG LEU 14 HG LEU 14 31.398 -4.154 1.538
100 HD11 LEU 14 HD11 LEU 14 30.862 -6.440 2.235
101 HD12 LEU 14 HD12 LEU 14 31.296 -6.366 0.512
102 HD13 LEU 14 HD13 LEU 14 32.472 -6.976 1.700
103 HD21 LEU 14 HD21 LEU 14 31.857 -4.857 3.844
104 HD22 LEU 14 HD22 LEU 14 33.501 -5.348 3.366
105 HD23 LEU 14 HD23 LEU 14 33.028 -3.633 3.296
106 H ALA 15 H ALA 15 34.017 -3.237 -1.867
107 HA ALA 15 HA ALA 15 36.700 -3.944 -2.211
108 HB1 ALA 15 HB1 ALA 15 36.388 -3.290 -4.564
109 HB2 ALA 15 HB2 ALA 15 34.848 -2.515 -4.126
110 HB3 ALA 15 HB3 ALA 15 35.039 -4.276 -3.952
111 H ASP 16 H ASP 16 35.222 -0.789 -1.787
112 HA ASP 16 HA ASP 16 37.634 0.615 -2.582
113 HB2 ASP 16 HB2 ASP 16 34.861 1.351 -2.436
114 HB3 ASP 16 HB3 ASP 16 35.791 2.172 -1.157
115 H DAL 17 H DAL 17 37.083 -1.122 0.066
116 HA DAL 17 HA DAL 17 38.739 0.621 1.729
117 HB1 DAL 17 HB1 DAL 17 39.214 -1.408 3.037
118 HB2 DAL 17 HB2 DAL 17 39.602 -1.610 1.313
119 HB3 DAL 17 HB3 DAL 17 38.117 -2.328 1.980
120 H GLY 18 H GLY 18 35.500 0.066 1.393
121 HA2 GLY 18 HA2 GLY 18 33.659 0.375 2.732
122 HA3 GLY 18 HA3 GLY 18 34.603 -0.378 4.038
123 H TRP 19 H TRP 19 35.181 0.859 5.708
124 HA TRP 19 HA TRP 19 34.318 3.568 5.849
125 HB2 TRP 19 HB2 TRP 19 35.824 1.736 7.719
126 HB3 TRP 19 HB3 TRP 19 35.672 3.470 8.088
127 HD1 TRP 19 HD1 TRP 19 34.005 0.323 8.768
128 HE1 TRP 19 HE1 TRP 19 31.583 0.702 9.556
129 HE3 TRP 19 HE3 TRP 19 33.450 5.208 7.369
130 HZ2 TRP 19 HZ2 TRP 19 29.689 2.796 9.582
131 HZ3 TRP 19 HZ3 TRP 19 31.305 6.326 7.811
132 HH2 TRP 19 HH2 TRP 19 29.462 5.143 8.893
133 H ALA 20 H ALA 20 37.366 2.022 5.114
134 HA ALA 20 HA ALA 20 38.812 4.559 5.232
135 HB1 ALA 20 HB1 ALA 20 40.808 3.202 4.740
136 HB2 ALA 20 HB2 ALA 20 39.777 1.760 4.598
137 HB3 ALA 20 HB3 ALA 20 39.923 2.599 6.160
138 H SER 21 H SER 21 36.765 4.511 3.322
139 HA SER 21 HA SER 21 38.083 4.078 0.747
140 HB2 SER 21 HB2 SER 21 35.868 3.137 0.903
141 HB3 SER 21 HB3 SER 21 35.205 4.686 1.472
142 HG SER 21 HG SER 21 36.442 4.328 -1.070
Start of MODEL 20
1 H1 ARG 1 H1 ARG 1 32.285 7.784 1.306
2 H2 ARG 1 H2 ARG 1 32.121 8.649 2.521
3 H3 ARG 1 H3 ARG 1 32.629 7.245 2.663
4 HA ARG 1 HA ARG 1 29.895 8.020 2.840
5 HB2 ARG 1 HB2 ARG 1 28.884 6.559 1.144
6 HB3 ARG 1 HB3 ARG 1 29.856 7.876 0.447
7 HG2 ARG 1 HG2 ARG 1 31.698 6.325 0.019
8 HG3 ARG 1 HG3 ARG 1 30.783 5.002 0.782
9 HD2 ARG 1 HD2 ARG 1 29.831 6.532 -1.661
10 HD3 ARG 1 HD3 ARG 1 30.738 5.004 -1.741
11 HE ARG 1 HE ARG 1 28.871 3.877 -0.888
12 HH11 ARG 1 HH11 ARG 1 28.247 7.311 -1.209
13 HH12 ARG 1 HH12 ARG 1 26.508 7.124 -1.097
14 HH21 ARG 1 HH21 ARG 1 26.618 3.634 -0.748
15 HH22 ARG 1 HH22 ARG 1 25.590 5.051 -0.837
16 HA PRO 2 HA PRO 2 30.168 4.442 5.462
17 HB2 PRO 2 HB2 PRO 2 27.675 4.509 6.547
18 HB3 PRO 2 HB3 PRO 2 28.881 5.742 6.939
19 HG2 PRO 2 HG2 PRO 2 26.551 5.890 5.023
20 HG3 PRO 2 HG3 PRO 2 27.181 7.130 6.116
21 HD2 PRO 2 HD2 PRO 2 27.747 7.009 3.372
22 HD3 PRO 2 HD3 PRO 2 28.742 7.872 4.552
23 HA PRO 3 HA PRO 3 28.479 0.793 3.637
24 HB2 PRO 3 HB2 PRO 3 27.046 -0.398 5.745
25 HB3 PRO 3 HB3 PRO 3 28.783 -0.581 5.469
26 HG2 PRO 3 HG2 PRO 3 27.335 1.252 7.366
27 HG3 PRO 3 HG3 PRO 3 28.871 0.401 7.577
28 HD2 PRO 3 HD2 PRO 3 28.797 3.067 7.023
29 HD3 PRO 3 HD3 PRO 3 30.097 2.043 6.400
30 HA PRO 4 HA PRO 4 24.301 2.240 2.692
31 HB2 PRO 4 HB2 PRO 4 24.231 1.400 0.112
32 HB3 PRO 4 HB3 PRO 4 25.153 2.832 0.588
33 HG2 PRO 4 HG2 PRO 4 26.135 0.015 0.068
34 HG3 PRO 4 HG3 PRO 4 26.864 1.556 -0.404
35 HD2 PRO 4 HD2 PRO 4 27.694 0.078 1.805
36 HD3 PRO 4 HD3 PRO 4 27.927 1.825 1.665
37 H SER 5 H SER 5 22.403 1.225 2.947
38 HA SER 5 HA SER 5 22.143 -1.442 3.658
39 HB2 SER 5 HB2 SER 5 20.079 0.476 2.551
40 HB3 SER 5 HB3 SER 5 19.685 -1.118 3.235
41 HG SER 5 HG SER 5 19.516 0.584 4.795
42 H ASP 6 H ASP 6 21.406 0.055 0.500
43 HA ASP 6 HA ASP 6 20.379 -2.092 -0.855
44 HB2 ASP 6 HB2 ASP 6 20.674 0.290 -1.808
45 HB3 ASP 6 HB3 ASP 6 22.382 -0.204 -1.903
46 H AIB 7 H AIB 7 21.102 -3.946 -1.737
47 HB11 AIB 7 HB11 AIB 7 24.477 -6.089 -0.668
48 HB12 AIB 7 HB12 AIB 7 24.332 -4.421 -0.067
49 HB13 AIB 7 HB13 AIB 7 23.068 -5.616 0.309
50 HB21 AIB 7 HB21 AIB 7 21.801 -6.611 -1.447
51 HB22 AIB 7 HB22 AIB 7 22.669 -6.631 -2.926
52 HB23 AIB 7 HB23 AIB 7 21.280 -5.640 -2.760
53 H ALA 8 H ALA 8 22.738 -3.614 -3.960
54 HA ALA 8 HA ALA 8 25.040 -4.417 -5.331
55 HB1 ALA 8 HB1 ALA 8 24.597 -2.533 -6.855
56 HB2 ALA 8 HB2 ALA 8 23.411 -1.893 -5.693
57 HB3 ALA 8 HB3 ALA 8 23.124 -3.461 -6.484
58 H ALA 9 H ALA 9 24.436 -1.339 -3.606
59 HA ALA 9 HA ALA 9 26.999 -0.288 -4.223
60 HB1 ALA 9 HB1 ALA 9 26.437 1.513 -2.647
61 HB2 ALA 9 HB2 ALA 9 25.012 0.588 -2.121
62 HB3 ALA 9 HB3 ALA 9 25.116 1.185 -3.794
63 H TYR 10 H TYR 10 25.767 -2.225 -1.576
64 HA TYR 10 HA TYR 10 27.744 -1.695 0.338
65 HB2 TYR 10 HB2 TYR 10 25.557 -2.964 0.615
66 HB3 TYR 10 HB3 TYR 10 26.429 -4.372 -0.039
67 HD1 TYR 10 HD1 TYR 10 26.740 -1.782 2.664
68 HD2 TYR 10 HD2 TYR 10 27.539 -5.783 1.463
69 HE1 TYR 10 HE1 TYR 10 27.634 -2.272 4.902
70 HE2 TYR 10 HE2 TYR 10 28.438 -6.283 3.699
71 HH TYR 10 HH TYR 10 29.529 -4.376 5.709
72 H ALA 11 H ALA 11 27.740 -3.803 -2.471
73 HA ALA 11 HA ALA 11 30.044 -5.318 -1.773
74 HB1 ALA 11 HB1 ALA 11 30.036 -6.039 -4.127
75 HB2 ALA 11 HB2 ALA 11 28.794 -4.817 -4.483
76 HB3 ALA 11 HB3 ALA 11 28.424 -6.166 -3.383
77 H GLN 12 H GLN 12 29.556 -2.601 -4.051
78 HA GLN 12 HA GLN 12 32.262 -2.284 -4.748
79 HB2 GLN 12 HB2 GLN 12 30.041 -1.257 -5.709
80 HB3 GLN 12 HB3 GLN 12 30.440 0.071 -4.594
81 HG2 GLN 12 HG2 GLN 12 31.653 0.767 -6.750
82 HG3 GLN 12 HG3 GLN 12 32.637 -0.034 -5.503
83 HE21 GLN 12 HE22 GLN 12 34.149 -1.209 -6.502
84 HE22 GLN 12 HE21 GLN 12 33.879 -2.271 -7.844
85 H TRP 13 H TRP 13 30.360 -1.062 -2.065
86 HA TRP 13 HA TRP 13 32.083 0.898 -1.064
87 HB2 TRP 13 HB2 TRP 13 29.772 0.592 -0.237
88 HB3 TRP 13 HB3 TRP 13 30.228 -0.980 0.462
89 HD1 TRP 13 HD1 TRP 13 30.953 2.786 0.945
90 HE1 TRP 13 HE1 TRP 13 31.544 3.144 3.425
91 HE3 TRP 13 HE3 TRP 13 30.982 -2.084 2.475
92 HZ2 TRP 13 HZ2 TRP 13 31.967 1.566 5.730
93 HZ3 TRP 13 HZ3 TRP 13 31.493 -2.581 4.832
94 HH2 TRP 13 HH2 TRP 13 31.975 -0.792 6.424
95 H LEU 14 H LEU 14 31.915 -2.591 -0.382
96 HA LEU 14 HA LEU 14 34.031 -2.707 1.478
97 HB2 LEU 14 HB2 LEU 14 32.914 -4.614 -0.452
98 HB3 LEU 14 HB3 LEU 14 34.123 -5.205 0.711
99 HG LEU 14 HG LEU 14 31.381 -4.080 1.419
100 HD11 LEU 14 HD11 LEU 14 30.837 -6.375 2.088
101 HD12 LEU 14 HD12 LEU 14 31.224 -6.270 0.354
102 HD13 LEU 14 HD13 LEU 14 32.425 -6.917 1.497
103 HD21 LEU 14 HD21 LEU 14 31.888 -4.829 3.699
104 HD22 LEU 14 HD22 LEU 14 33.514 -5.327 3.171
105 HD23 LEU 14 HD23 LEU 14 33.058 -3.607 3.143
106 H ALA 15 H ALA 15 33.932 -3.031 -2.041
107 HA ALA 15 HA ALA 15 36.577 -3.819 -2.491
108 HB1 ALA 15 HB1 ALA 15 36.241 -3.009 -4.791
109 HB2 ALA 15 HB2 ALA 15 34.743 -2.205 -4.272
110 HB3 ALA 15 HB3 ALA 15 34.867 -3.979 -4.210
111 H ASP 16 H ASP 16 35.199 -0.607 -1.994
112 HA ASP 16 HA ASP 16 37.659 0.736 -2.693
113 HB2 ASP 16 HB2 ASP 16 34.936 1.570 -2.526
114 HB3 ASP 16 HB3 ASP 16 35.845 2.246 -1.152
115 H DAL 17 H DAL 17 36.913 -1.054 -0.060
116 HA DAL 17 HA DAL 17 38.707 0.519 1.647
117 HB1 DAL 17 HB1 DAL 17 39.113 -1.586 2.854
118 HB2 DAL 17 HB2 DAL 17 39.489 -1.717 1.120
119 HB3 DAL 17 HB3 DAL 17 37.981 -2.414 1.758
120 H GLY 18 H GLY 18 35.485 0.275 1.288
121 HA2 GLY 18 HA2 GLY 18 33.655 0.582 2.641
122 HA3 GLY 18 HA3 GLY 18 34.528 -0.342 3.886
123 H TRP 19 H TRP 19 35.249 0.712 5.632
124 HA TRP 19 HA TRP 19 34.574 3.458 5.995
125 HB2 TRP 19 HB2 TRP 19 36.013 1.421 7.715
126 HB3 TRP 19 HB3 TRP 19 35.836 3.117 8.223
127 HD1 TRP 19 HD1 TRP 19 34.179 -0.101 8.571
128 HE1 TRP 19 HE1 TRP 19 31.743 0.189 9.351
129 HE3 TRP 19 HE3 TRP 19 33.622 4.898 7.656
130 HZ2 TRP 19 HZ2 TRP 19 29.838 2.263 9.552
131 HZ3 TRP 19 HZ3 TRP 19 31.462 5.958 8.169
132 HH2 TRP 19 HH2 TRP 19 29.609 4.665 9.096
133 H ALA 20 H ALA 20 37.478 1.760 5.063
134 HA ALA 20 HA ALA 20 39.115 4.163 5.384
135 HB1 ALA 20 HB1 ALA 20 41.010 2.705 4.795
136 HB2 ALA 20 HB2 ALA 20 39.878 1.353 4.559
137 HB3 ALA 20 HB3 ALA 20 40.080 2.072 6.174
138 H SER 21 H SER 21 37.070 4.378 3.471
139 HA SER 21 HA SER 21 38.406 4.074 0.881
140 HB2 SER 21 HB2 SER 21 36.159 3.176 0.969
141 HB3 SER 21 HB3 SER 21 35.532 4.718 1.595
142 HG SER 21 HG SER 21 35.179 4.540 -0.657
Start of MODEL 21
1 H1 ARG 1 H1 ARG 1 32.642 7.300 0.388
2 H2 ARG 1 H2 ARG 1 32.600 8.334 1.474
3 H3 ARG 1 H3 ARG 1 32.879 6.900 1.814
4 HA ARG 1 HA ARG 1 30.301 8.106 1.794
5 HB2 ARG 1 HB2 ARG 1 29.116 6.505 0.293
6 HB3 ARG 1 HB3 ARG 1 30.171 7.683 -0.523
7 HG2 ARG 1 HG2 ARG 1 31.773 6.058 -1.071
8 HG3 ARG 1 HG3 ARG 1 31.165 4.915 0.151
9 HD2 ARG 1 HD2 ARG 1 29.592 4.073 -1.243
10 HD3 ARG 1 HD3 ARG 1 29.187 5.673 -1.907
11 HE ARG 1 HE ARG 1 31.044 3.755 -2.984
12 HH11 ARG 1 HH11 ARG 1 30.160 7.143 -2.879
13 HH12 ARG 1 HH12 ARG 1 30.915 7.510 -4.417
14 HH21 ARG 1 HH21 ARG 1 32.029 4.229 -4.978
15 HH22 ARG 1 HH22 ARG 1 31.969 5.867 -5.600
16 HA PRO 2 HA PRO 2 30.144 5.093 5.097
17 HB2 PRO 2 HB2 PRO 2 27.237 5.737 5.246
18 HB3 PRO 2 HB3 PRO 2 28.484 5.927 6.486
19 HG2 PRO 2 HG2 PRO 2 27.423 8.056 5.192
20 HG3 PRO 2 HG3 PRO 2 29.105 8.044 5.738
21 HD2 PRO 2 HD2 PRO 2 28.010 7.659 2.941
22 HD3 PRO 2 HD3 PRO 2 29.491 8.474 3.459
23 HA PRO 3 HA PRO 3 28.561 1.276 3.539
24 HB2 PRO 3 HB2 PRO 3 27.104 0.304 5.738
25 HB3 PRO 3 HB3 PRO 3 28.849 0.113 5.518
26 HG2 PRO 3 HG2 PRO 3 27.342 2.148 7.156
27 HG3 PRO 3 HG3 PRO 3 28.859 1.315 7.520
28 HD2 PRO 3 HD2 PRO 3 28.866 3.892 6.671
29 HD3 PRO 3 HD3 PRO 3 30.145 2.780 6.167
30 HA PRO 4 HA PRO 4 24.404 2.611 2.376
31 HB2 PRO 4 HB2 PRO 4 24.363 1.484 -0.091
32 HB3 PRO 4 HB3 PRO 4 25.293 2.954 0.233
33 HG2 PRO 4 HG2 PRO 4 26.255 0.087 0.052
34 HG3 PRO 4 HG3 PRO 4 27.003 1.557 -0.587
35 HD2 PRO 4 HD2 PRO 4 27.796 0.337 1.787
36 HD3 PRO 4 HD3 PRO 4 28.050 2.053 1.447
37 H SER 5 H SER 5 22.498 1.649 2.736
38 HA SER 5 HA SER 5 22.223 -0.880 3.821
39 HB2 SER 5 HB2 SER 5 20.170 0.850 2.424
40 HB3 SER 5 HB3 SER 5 19.767 -0.622 3.338
41 HG SER 5 HG SER 5 19.594 1.296 4.622
42 H ASP 6 H ASP 6 21.586 0.106 0.451
43 HA ASP 6 HA ASP 6 20.404 -2.206 -0.485
44 HB2 ASP 6 HB2 ASP 6 22.230 -0.272 -2.027
45 HB3 ASP 6 HB3 ASP 6 21.317 -1.675 -2.637
46 H AIB 7 H AIB 7 21.191 -4.008 -1.721
47 HB11 AIB 7 HB11 AIB 7 24.434 -6.190 -0.176
48 HB12 AIB 7 HB12 AIB 7 24.357 -4.456 0.214
49 HB13 AIB 7 HB13 AIB 7 23.053 -5.546 0.741
50 HB21 AIB 7 HB21 AIB 7 21.725 -6.709 -0.918
51 HB22 AIB 7 HB22 AIB 7 22.577 -6.908 -2.393
52 HB23 AIB 7 HB23 AIB 7 21.234 -5.846 -2.315
53 H ALA 8 H ALA 8 22.865 -3.995 -3.701
54 HA ALA 8 HA ALA 8 25.202 -5.021 -4.877
55 HB1 ALA 8 HB1 ALA 8 24.829 -3.361 -6.655
56 HB2 ALA 8 HB2 ALA 8 23.604 -2.570 -5.637
57 HB3 ALA 8 HB3 ALA 8 23.339 -4.231 -6.219
58 H ALA 9 H ALA 9 24.577 -1.692 -3.702
59 HA ALA 9 HA ALA 9 27.194 -0.792 -4.257
60 HB1 ALA 9 HB1 ALA 9 26.611 1.200 -2.938
61 HB2 ALA 9 HB2 ALA 9 25.132 0.380 -2.387
62 HB3 ALA 9 HB3 ALA 9 25.345 0.767 -4.111
63 H TYR 10 H TYR 10 25.799 -2.339 -1.419
64 HA TYR 10 HA TYR 10 27.732 -1.591 0.470
65 HB2 TYR 10 HB2 TYR 10 25.532 -2.740 0.899
66 HB3 TYR 10 HB3 TYR 10 26.328 -4.251 0.396
67 HD1 TYR 10 HD1 TYR 10 26.842 -1.403 2.789
68 HD2 TYR 10 HD2 TYR 10 27.309 -5.569 2.065
69 HE1 TYR 10 HE1 TYR 10 27.709 -1.697 5.071
70 HE2 TYR 10 HE2 TYR 10 28.177 -5.873 4.344
71 HH TYR 10 HH TYR 10 27.754 -4.114 6.728
72 H ALA 11 H ALA 11 27.753 -4.090 -2.004
73 HA ALA 11 HA ALA 11 29.995 -5.538 -1.048
74 HB1 ALA 11 HB1 ALA 11 30.073 -6.526 -3.302
75 HB2 ALA 11 HB2 ALA 11 28.883 -5.325 -3.855
76 HB3 ALA 11 HB3 ALA 11 28.426 -6.529 -2.627
77 H GLN 12 H GLN 12 29.682 -3.087 -3.635
78 HA GLN 12 HA GLN 12 32.415 -2.907 -4.253
79 HB2 GLN 12 HB2 GLN 12 30.269 -1.924 -5.401
80 HB3 GLN 12 HB3 GLN 12 30.649 -0.505 -4.396
81 HG2 GLN 12 HG2 GLN 12 31.957 -0.051 -6.570
82 HG3 GLN 12 HG3 GLN 12 32.869 -0.701 -5.187
83 HE21 GLN 12 HE22 GLN 12 34.447 -1.940 -5.998
84 HE22 GLN 12 HE21 GLN 12 34.243 -3.161 -7.209
85 H TRP 13 H TRP 13 30.457 -1.348 -1.788
86 HA TRP 13 HA TRP 13 32.206 0.645 -0.921
87 HB2 TRP 13 HB2 TRP 13 29.869 0.505 -0.139
88 HB3 TRP 13 HB3 TRP 13 30.232 -1.018 0.706
89 HD1 TRP 13 HD1 TRP 13 31.110 2.745 0.896
90 HE1 TRP 13 HE1 TRP 13 31.631 3.285 3.358
91 HE3 TRP 13 HE3 TRP 13 30.853 -1.971 2.831
92 HZ2 TRP 13 HZ2 TRP 13 31.900 1.894 5.800
93 HZ3 TRP 13 HZ3 TRP 13 31.259 -2.289 5.238
94 HH2 TRP 13 HH2 TRP 13 31.771 -0.393 6.692
95 H LEU 14 H LEU 14 31.898 -2.747 0.125
96 HA LEU 14 HA LEU 14 33.951 -2.741 2.050
97 HB2 LEU 14 HB2 LEU 14 32.852 -4.800 0.270
98 HB3 LEU 14 HB3 LEU 14 33.997 -5.301 1.536
99 HG LEU 14 HG LEU 14 31.263 -4.044 2.011
100 HD11 LEU 14 HD11 LEU 14 30.625 -6.242 2.888
101 HD12 LEU 14 HD12 LEU 14 31.082 -6.326 1.170
102 HD13 LEU 14 HD13 LEU 14 32.218 -6.883 2.422
103 HD21 LEU 14 HD21 LEU 14 31.661 -4.567 4.375
104 HD22 LEU 14 HD22 LEU 14 33.291 -5.156 3.967
105 HD23 LEU 14 HD23 LEU 14 32.884 -3.438 3.747
106 H ALA 15 H ALA 15 33.968 -3.432 -1.419
107 HA ALA 15 HA ALA 15 36.598 -4.324 -1.693
108 HB1 ALA 15 HB1 ALA 15 36.369 -3.728 -4.072
109 HB2 ALA 15 HB2 ALA 15 34.882 -2.832 -3.686
110 HB3 ALA 15 HB3 ALA 15 34.944 -4.594 -3.451
111 H ASP 16 H ASP 16 35.332 -1.043 -1.488
112 HA ASP 16 HA ASP 16 37.914 0.112 -2.180
113 HB2 ASP 16 HB2 ASP 16 35.255 1.040 -2.500
114 HB3 ASP 16 HB3 ASP 16 35.960 1.849 -1.078
115 H DAL 17 H DAL 17 37.289 -1.443 0.433
116 HA DAL 17 HA DAL 17 38.843 0.293 2.134
117 HB1 DAL 17 HB1 DAL 17 38.861 -1.607 3.695
118 HB2 DAL 17 HB2 DAL 17 39.367 -2.075 2.055
119 HB3 DAL 17 HB3 DAL 17 37.731 -2.475 2.628
120 H GLY 18 H GLY 18 35.518 -0.167 1.617
121 HA2 GLY 18 HA2 GLY 18 33.636 0.563 2.710
122 HA3 GLY 18 HA3 GLY 18 34.447 0.051 4.209
123 H TRP 19 H TRP 19 35.133 1.563 5.597
124 HA TRP 19 HA TRP 19 34.317 4.249 5.274
125 HB2 TRP 19 HB2 TRP 19 36.066 2.869 7.333
126 HB3 TRP 19 HB3 TRP 19 35.686 4.606 7.415
127 HD1 TRP 19 HD1 TRP 19 34.445 1.351 8.562
128 HE1 TRP 19 HE1 TRP 19 32.052 1.568 9.485
129 HE3 TRP 19 HE3 TRP 19 33.300 5.996 6.760
130 HZ2 TRP 19 HZ2 TRP 19 29.956 3.460 9.452
131 HZ3 TRP 19 HZ3 TRP 19 31.080 6.937 7.250
132 HH2 TRP 19 HH2 TRP 19 29.443 5.694 8.567
133 H ALA 20 H ALA 20 37.350 2.605 4.665
134 HA ALA 20 HA ALA 20 38.767 5.120 4.242
135 HB1 ALA 20 HB1 ALA 20 40.741 3.698 3.856
136 HB2 ALA 20 HB2 ALA 20 39.716 2.254 4.025
137 HB3 ALA 20 HB3 ALA 20 39.952 3.344 5.412
138 H SER 21 H SER 21 36.627 4.819 2.489
139 HA SER 21 HA SER 21 37.769 3.910 -0.045
140 HB2 SER 21 HB2 SER 21 35.554 3.085 0.347
141 HB3 SER 21 HB3 SER 21 34.963 4.710 0.761
142 HG SER 21 HG SER 21 34.483 3.947 -1.437
Start of MODEL 22
1 H1 ARG 1 H1 ARG 1 32.070 7.681 1.201
2 H2 ARG 1 H2 ARG 1 31.977 8.587 2.393
3 H3 ARG 1 H3 ARG 1 32.492 7.187 2.553
4 HA ARG 1 HA ARG 1 29.770 7.974 2.858
5 HB2 ARG 1 HB2 ARG 1 28.605 6.699 1.240
6 HB3 ARG 1 HB3 ARG 1 29.827 7.671 0.386
7 HG2 ARG 1 HG2 ARG 1 31.130 5.265 0.939
8 HG3 ARG 1 HG3 ARG 1 29.479 4.769 0.495
9 HD2 ARG 1 HD2 ARG 1 30.106 4.976 -1.648
10 HD3 ARG 1 HD3 ARG 1 30.143 6.735 -1.378
11 HE ARG 1 HE ARG 1 32.487 6.595 -1.058
12 HH11 ARG 1 HH11 ARG 1 31.082 3.526 -2.007
13 HH12 ARG 1 HH12 ARG 1 32.613 2.861 -2.542
14 HH21 ARG 1 HH21 ARG 1 34.464 5.738 -1.750
15 HH22 ARG 1 HH22 ARG 1 34.520 4.109 -2.396
16 HA PRO 2 HA PRO 2 30.090 4.393 5.475
17 HB2 PRO 2 HB2 PRO 2 27.621 4.471 6.626
18 HB3 PRO 2 HB3 PRO 2 28.835 5.711 6.967
19 HG2 PRO 2 HG2 PRO 2 26.401 5.862 5.223
20 HG3 PRO 2 HG3 PRO 2 27.204 7.140 6.144
21 HD2 PRO 2 HD2 PRO 2 27.480 6.644 3.339
22 HD3 PRO 2 HD3 PRO 2 28.449 7.767 4.301
23 HA PRO 3 HA PRO 3 28.362 0.686 3.797
24 HB2 PRO 3 HB2 PRO 3 26.856 -0.374 5.937
25 HB3 PRO 3 HB3 PRO 3 28.585 -0.639 5.676
26 HG2 PRO 3 HG2 PRO 3 27.207 1.321 7.495
27 HG3 PRO 3 HG3 PRO 3 28.710 0.422 7.742
28 HD2 PRO 3 HD2 PRO 3 28.751 3.060 7.095
29 HD3 PRO 3 HD3 PRO 3 29.996 1.963 6.486
30 HA PRO 4 HA PRO 4 24.235 2.223 2.731
31 HB2 PRO 4 HB2 PRO 4 24.230 1.431 0.142
32 HB3 PRO 4 HB3 PRO 4 25.178 2.830 0.667
33 HG2 PRO 4 HG2 PRO 4 26.096 -0.010 0.143
34 HG3 PRO 4 HG3 PRO 4 26.870 1.514 -0.312
35 HD2 PRO 4 HD2 PRO 4 27.631 0.013 1.903
36 HD3 PRO 4 HD3 PRO 4 27.898 1.757 1.780
37 H SER 5 H SER 5 22.318 1.228 2.916
38 HA SER 5 HA SER 5 21.993 -1.442 3.577
39 HB2 SER 5 HB2 SER 5 19.998 0.510 2.406
40 HB3 SER 5 HB3 SER 5 19.559 -1.080 3.069
41 HG SER 5 HG SER 5 19.353 0.619 4.628
42 H ASP 6 H ASP 6 21.653 0.098 0.390
43 HA ASP 6 HA ASP 6 20.433 -1.998 -0.966
44 HB2 ASP 6 HB2 ASP 6 22.340 0.146 -2.056
45 HB3 ASP 6 HB3 ASP 6 21.480 -1.133 -2.949
46 H AIB 7 H AIB 7 21.092 -3.865 -1.877
47 HB11 AIB 7 HB11 AIB 7 24.382 -6.126 -0.793
48 HB12 AIB 7 HB12 AIB 7 24.292 -4.453 -0.193
49 HB13 AIB 7 HB13 AIB 7 22.986 -5.603 0.177
50 HB21 AIB 7 HB21 AIB 7 21.714 -6.576 -1.621
51 HB22 AIB 7 HB22 AIB 7 22.561 -6.568 -3.112
52 HB23 AIB 7 HB23 AIB 7 21.201 -5.547 -2.893
53 H ALA 8 H ALA 8 22.784 -3.595 -4.094
54 HA ALA 8 HA ALA 8 25.139 -4.398 -5.381
55 HB1 ALA 8 HB1 ALA 8 24.758 -2.505 -6.907
56 HB2 ALA 8 HB2 ALA 8 23.529 -1.869 -5.788
57 HB3 ALA 8 HB3 ALA 8 23.269 -3.430 -6.601
58 H ALA 9 H ALA 9 24.458 -1.349 -3.644
59 HA ALA 9 HA ALA 9 27.014 -0.250 -4.191
60 HB1 ALA 9 HB1 ALA 9 26.387 1.521 -2.605
61 HB2 ALA 9 HB2 ALA 9 24.969 0.562 -2.119
62 HB3 ALA 9 HB3 ALA 9 25.096 1.182 -3.782
63 H TYR 10 H TYR 10 25.750 -2.198 -1.558
64 HA TYR 10 HA TYR 10 27.719 -1.672 0.366
65 HB2 TYR 10 HB2 TYR 10 25.634 -2.820 0.874
66 HB3 TYR 10 HB3 TYR 10 26.155 -4.206 -0.115
67 HD1 TYR 10 HD1 TYR 10 27.069 -2.238 2.926
68 HD2 TYR 10 HD2 TYR 10 27.427 -5.944 0.876
69 HE1 TYR 10 HE1 TYR 10 28.160 -3.219 4.901
70 HE2 TYR 10 HE2 TYR 10 28.525 -6.931 2.838
71 HH TYR 10 HH TYR 10 29.241 -6.604 4.910
72 H ALA 11 H ALA 11 27.739 -3.780 -2.443
73 HA ALA 11 HA ALA 11 30.016 -5.314 -1.680
74 HB1 ALA 11 HB1 ALA 11 30.031 -6.082 -4.019
75 HB2 ALA 11 HB2 ALA 11 28.804 -4.857 -4.415
76 HB3 ALA 11 HB3 ALA 11 28.410 -6.181 -3.294
77 H GLN 12 H GLN 12 29.581 -2.636 -4.008
78 HA GLN 12 HA GLN 12 32.292 -2.358 -4.686
79 HB2 GLN 12 HB2 GLN 12 30.107 -1.330 -5.700
80 HB3 GLN 12 HB3 GLN 12 30.472 0.007 -4.583
81 HG2 GLN 12 HG2 GLN 12 31.702 0.654 -6.770
82 HG3 GLN 12 HG3 GLN 12 32.658 -0.008 -5.423
83 HE21 GLN 12 HE22 GLN 12 34.335 -0.991 -6.404
84 HE22 GLN 12 HE21 GLN 12 34.194 -2.202 -7.635
85 H TRP 13 H TRP 13 30.366 -1.003 -2.066
86 HA TRP 13 HA TRP 13 32.130 0.927 -1.095
87 HB2 TRP 13 HB2 TRP 13 29.815 0.742 -0.281
88 HB3 TRP 13 HB3 TRP 13 30.180 -0.844 0.439
89 HD1 TRP 13 HD1 TRP 13 31.048 2.894 0.919
90 HE1 TRP 13 HE1 TRP 13 31.614 3.228 3.408
91 HE3 TRP 13 HE3 TRP 13 30.882 -1.975 2.456
92 HZ2 TRP 13 HZ2 TRP 13 31.940 1.643 5.721
93 HZ3 TRP 13 HZ3 TRP 13 31.337 -2.487 4.822
94 HH2 TRP 13 HH2 TRP 13 31.856 -0.712 6.418
95 H LEU 14 H LEU 14 31.896 -2.550 -0.340
96 HA LEU 14 HA LEU 14 33.988 -2.635 1.559
97 HB2 LEU 14 HB2 LEU 14 32.881 -4.590 -0.331
98 HB3 LEU 14 HB3 LEU 14 34.067 -5.153 0.870
99 HG LEU 14 HG LEU 14 31.317 -4.000 1.491
100 HD11 LEU 14 HD11 LEU 14 30.763 -6.272 2.228
101 HD12 LEU 14 HD12 LEU 14 31.182 -6.225 0.499
102 HD13 LEU 14 HD13 LEU 14 32.362 -6.831 1.686
103 HD21 LEU 14 HD21 LEU 14 31.780 -4.671 3.804
104 HD22 LEU 14 HD22 LEU 14 33.416 -5.187 3.326
105 HD23 LEU 14 HD23 LEU 14 32.960 -3.469 3.231
106 H ALA 15 H ALA 15 33.916 -3.241 -1.936
107 HA ALA 15 HA ALA 15 36.600 -3.942 -2.298
108 HB1 ALA 15 HB1 ALA 15 36.246 -3.366 -4.667
109 HB2 ALA 15 HB2 ALA 15 34.710 -2.583 -4.231
110 HB3 ALA 15 HB3 ALA 15 34.910 -4.336 -4.004
111 H ASP 16 H ASP 16 35.050 -0.790 -2.105
112 HA ASP 16 HA ASP 16 37.342 0.691 -2.978
113 HB2 ASP 16 HB2 ASP 16 34.652 1.483 -1.780
114 HB3 ASP 16 HB3 ASP 16 36.090 2.533 -1.818
115 H DAL 17 H DAL 17 36.697 -0.921 -0.093
116 HA DAL 17 HA DAL 17 38.620 0.783 1.351
117 HB1 DAL 17 HB1 DAL 17 39.284 -1.242 2.582
118 HB2 DAL 17 HB2 DAL 17 39.526 -1.408 0.828
119 HB3 DAL 17 HB3 DAL 17 38.133 -2.191 1.611
120 H GLY 18 H GLY 18 35.417 0.386 1.275
121 HA2 GLY 18 HA2 GLY 18 33.691 0.621 2.770
122 HA3 GLY 18 HA3 GLY 18 34.692 -0.278 3.934
123 H TRP 19 H TRP 19 35.358 0.787 5.678
124 HA TRP 19 HA TRP 19 34.703 3.543 6.031
125 HB2 TRP 19 HB2 TRP 19 36.167 1.530 7.768
126 HB3 TRP 19 HB3 TRP 19 35.911 3.219 8.267
127 HD1 TRP 19 HD1 TRP 19 34.386 -0.067 8.594
128 HE1 TRP 19 HE1 TRP 19 31.934 0.122 9.354
129 HE3 TRP 19 HE3 TRP 19 33.635 4.908 7.687
130 HZ2 TRP 19 HZ2 TRP 19 29.945 2.117 9.544
131 HZ3 TRP 19 HZ3 TRP 19 31.430 5.878 8.184
132 HH2 TRP 19 HH2 TRP 19 29.624 4.510 9.094
133 H ALA 20 H ALA 20 37.647 1.778 5.269
134 HA ALA 20 HA ALA 20 39.255 4.212 5.479
135 HB1 ALA 20 HB1 ALA 20 41.179 2.733 5.074
136 HB2 ALA 20 HB2 ALA 20 40.066 1.359 4.888
137 HB3 ALA 20 HB3 ALA 20 40.196 2.191 6.455
138 H SER 21 H SER 21 37.300 4.290 3.467
139 HA SER 21 HA SER 21 38.721 3.770 0.965
140 HB2 SER 21 HB2 SER 21 36.402 2.994 1.108
141 HB3 SER 21 HB3 SER 21 35.864 4.651 1.465
142 HG SER 21 HG SER 21 36.283 5.244 -0.590
Start of MODEL 23
1 H1 ARG 1 H1 ARG 1 32.222 7.340 0.332
2 H2 ARG 1 H2 ARG 1 32.138 8.407 1.383
3 H3 ARG 1 H3 ARG 1 32.509 7.006 1.766
4 HA ARG 1 HA ARG 1 29.863 8.055 1.753
5 HB2 ARG 1 HB2 ARG 1 28.692 6.574 0.273
6 HB3 ARG 1 HB3 ARG 1 29.957 7.450 -0.620
7 HG2 ARG 1 HG2 ARG 1 31.368 5.268 -0.036
8 HG3 ARG 1 HG3 ARG 1 29.747 4.537 0.055
9 HD2 ARG 1 HD2 ARG 1 30.454 6.235 -2.319
10 HD3 ARG 1 HD3 ARG 1 31.092 4.577 -2.221
11 HE ARG 1 HE ARG 1 28.903 3.750 -2.388
12 HH11 ARG 1 HH11 ARG 1 28.959 7.256 -2.492
13 HH12 ARG 1 HH12 ARG 1 27.333 7.378 -3.134
14 HH21 ARG 1 HH21 ARG 1 26.795 3.911 -3.226
15 HH22 ARG 1 HH22 ARG 1 26.114 5.494 -3.547
16 HA PRO 2 HA PRO 2 29.923 5.094 5.110
17 HB2 PRO 2 HB2 PRO 2 27.013 5.593 5.398
18 HB3 PRO 2 HB3 PRO 2 28.315 5.941 6.544
19 HG2 PRO 2 HG2 PRO 2 27.006 7.901 5.186
20 HG3 PRO 2 HG3 PRO 2 28.698 8.060 5.678
21 HD2 PRO 2 HD2 PRO 2 27.563 7.438 2.940
22 HD3 PRO 2 HD3 PRO 2 28.980 8.405 3.370
23 HA PRO 3 HA PRO 3 28.462 1.185 3.652
24 HB2 PRO 3 HB2 PRO 3 26.988 0.271 5.889
25 HB3 PRO 3 HB3 PRO 3 28.722 0.033 5.636
26 HG2 PRO 3 HG2 PRO 3 27.301 2.110 7.286
27 HG3 PRO 3 HG3 PRO 3 28.832 1.281 7.598
28 HD2 PRO 3 HD2 PRO 3 28.804 3.847 6.721
29 HD3 PRO 3 HD3 PRO 3 30.061 2.730 6.175
30 HA PRO 4 HA PRO 4 24.281 2.448 2.457
31 HB2 PRO 4 HB2 PRO 4 24.308 1.407 -0.045
32 HB3 PRO 4 HB3 PRO 4 25.194 2.889 0.341
33 HG2 PRO 4 HG2 PRO 4 26.234 0.055 0.083
34 HG3 PRO 4 HG3 PRO 4 26.949 1.562 -0.504
35 HD2 PRO 4 HD2 PRO 4 27.754 0.298 1.840
36 HD3 PRO 4 HD3 PRO 4 27.955 2.031 1.558
37 H SER 5 H SER 5 22.406 1.409 2.756
38 HA SER 5 HA SER 5 22.189 -1.214 3.640
39 HB2 SER 5 HB2 SER 5 20.107 0.592 2.387
40 HB3 SER 5 HB3 SER 5 19.730 -0.964 3.161
41 HG SER 5 HG SER 5 19.507 0.826 4.611
42 H ASP 6 H ASP 6 21.542 0.078 0.380
43 HA ASP 6 HA ASP 6 20.500 -2.127 -0.862
44 HB2 ASP 6 HB2 ASP 6 20.890 0.192 -1.944
45 HB3 ASP 6 HB3 ASP 6 22.577 -0.375 -1.989
46 H AIB 7 H AIB 7 21.194 -4.061 -1.575
47 HB11 AIB 7 HB11 AIB 7 24.516 -6.201 -0.312
48 HB12 AIB 7 HB12 AIB 7 24.410 -4.492 0.174
49 HB13 AIB 7 HB13 AIB 7 23.117 -5.628 0.624
50 HB21 AIB 7 HB21 AIB 7 21.826 -6.710 -1.088
51 HB22 AIB 7 HB22 AIB 7 22.682 -6.828 -2.570
52 HB23 AIB 7 HB23 AIB 7 21.324 -5.790 -2.444
53 H ALA 8 H ALA 8 22.915 -3.920 -3.784
54 HA ALA 8 HA ALA 8 25.268 -4.828 -4.996
55 HB1 ALA 8 HB1 ALA 8 24.906 -3.049 -6.660
56 HB2 ALA 8 HB2 ALA 8 23.678 -2.325 -5.597
57 HB3 ALA 8 HB3 ALA 8 23.410 -3.941 -6.293
58 H ALA 9 H ALA 9 24.610 -1.631 -3.533
59 HA ALA 9 HA ALA 9 27.194 -0.630 -4.130
60 HB1 ALA 9 HB1 ALA 9 26.577 1.285 -2.718
61 HB2 ALA 9 HB2 ALA 9 25.135 0.399 -2.172
62 HB3 ALA 9 HB3 ALA 9 25.298 0.866 -3.881
63 H TYR 10 H TYR 10 25.862 -2.324 -1.360
64 HA TYR 10 HA TYR 10 27.798 -1.642 0.549
65 HB2 TYR 10 HB2 TYR 10 25.696 -2.730 1.120
66 HB3 TYR 10 HB3 TYR 10 26.228 -4.202 0.270
67 HD1 TYR 10 HD1 TYR 10 27.098 -1.967 3.142
68 HD2 TYR 10 HD2 TYR 10 27.483 -5.840 1.427
69 HE1 TYR 10 HE1 TYR 10 28.173 -2.766 5.202
70 HE2 TYR 10 HE2 TYR 10 28.566 -6.649 3.484
71 HH TYR 10 HH TYR 10 29.262 -6.134 5.524
72 H ALA 11 H ALA 11 27.834 -3.997 -2.054
73 HA ALA 11 HA ALA 11 30.079 -5.486 -1.145
74 HB1 ALA 11 HB1 ALA 11 30.130 -6.421 -3.420
75 HB2 ALA 11 HB2 ALA 11 28.931 -5.211 -3.930
76 HB3 ALA 11 HB3 ALA 11 28.492 -6.445 -2.725
77 H GLN 12 H GLN 12 29.734 -2.995 -3.692
78 HA GLN 12 HA GLN 12 32.463 -2.793 -4.326
79 HB2 GLN 12 HB2 GLN 12 30.342 -1.820 -5.479
80 HB3 GLN 12 HB3 GLN 12 30.636 -0.424 -4.415
81 HG2 GLN 12 HG2 GLN 12 32.986 -1.316 -6.272
82 HG3 GLN 12 HG3 GLN 12 31.430 -0.594 -6.744
83 HE21 GLN 12 HE22 GLN 12 34.382 -0.164 -4.822
84 HE22 GLN 12 HE21 GLN 12 34.270 1.560 -4.692
85 H TRP 13 H TRP 13 30.501 -1.231 -1.857
86 HA TRP 13 HA TRP 13 32.254 0.740 -0.963
87 HB2 TRP 13 HB2 TRP 13 29.909 0.579 -0.195
88 HB3 TRP 13 HB3 TRP 13 30.287 -0.938 0.655
89 HD1 TRP 13 HD1 TRP 13 31.136 2.832 0.833
90 HE1 TRP 13 HE1 TRP 13 31.644 3.385 3.299
91 HE3 TRP 13 HE3 TRP 13 30.906 -1.880 2.783
92 HZ2 TRP 13 HZ2 TRP 13 31.909 2.002 5.747
93 HZ3 TRP 13 HZ3 TRP 13 31.302 -2.187 5.193
94 HH2 TRP 13 HH2 TRP 13 31.792 -0.284 6.643
95 H LEU 14 H LEU 14 31.954 -2.664 0.047
96 HA LEU 14 HA LEU 14 34.009 -2.655 1.978
97 HB2 LEU 14 HB2 LEU 14 32.896 -4.709 0.202
98 HB3 LEU 14 HB3 LEU 14 34.059 -5.217 1.449
99 HG LEU 14 HG LEU 14 31.329 -3.969 1.964
100 HD11 LEU 14 HD11 LEU 14 30.720 -6.171 2.850
101 HD12 LEU 14 HD12 LEU 14 31.156 -6.252 1.127
102 HD13 LEU 14 HD13 LEU 14 32.312 -6.799 2.365
103 HD21 LEU 14 HD21 LEU 14 31.760 -4.484 4.323
104 HD22 LEU 14 HD22 LEU 14 33.389 -5.063 3.896
105 HD23 LEU 14 HD23 LEU 14 32.968 -3.348 3.677
106 H ALA 15 H ALA 15 34.016 -3.355 -1.493
107 HA ALA 15 HA ALA 15 36.658 -4.220 -1.769
108 HB1 ALA 15 HB1 ALA 15 36.415 -3.645 -4.152
109 HB2 ALA 15 HB2 ALA 15 34.917 -2.766 -3.770
110 HB3 ALA 15 HB3 ALA 15 35.002 -4.526 -3.522
111 H ASP 16 H ASP 16 35.343 -0.970 -1.539
112 HA ASP 16 HA ASP 16 37.872 0.253 -2.285
113 HB2 ASP 16 HB2 ASP 16 35.186 1.126 -2.479
114 HB3 ASP 16 HB3 ASP 16 35.922 1.912 -1.061
115 H DAL 17 H DAL 17 37.340 -1.371 0.324
116 HA DAL 17 HA DAL 17 38.929 0.363 2.007
117 HB1 DAL 17 HB1 DAL 17 39.094 -1.587 3.498
118 HB2 DAL 17 HB2 DAL 17 39.549 -1.976 1.823
119 HB3 DAL 17 HB3 DAL 17 37.957 -2.466 2.447
120 H GLY 18 H GLY 18 35.600 -0.321 1.644
121 HA2 GLY 18 HA2 GLY 18 33.738 0.304 2.834
122 HA3 GLY 18 HA3 GLY 18 34.648 -0.196 4.279
123 H TRP 19 H TRP 19 35.293 1.320 5.678
124 HA TRP 19 HA TRP 19 34.341 3.973 5.440
125 HB2 TRP 19 HB2 TRP 19 36.202 2.617 7.411
126 HB3 TRP 19 HB3 TRP 19 35.782 4.342 7.539
127 HD1 TRP 19 HD1 TRP 19 34.694 1.083 8.754
128 HE1 TRP 19 HE1 TRP 19 32.307 1.206 9.709
129 HE3 TRP 19 HE3 TRP 19 33.293 5.617 6.852
130 HZ2 TRP 19 HZ2 TRP 19 30.116 2.994 9.660
131 HZ3 TRP 19 HZ3 TRP 19 31.039 6.461 7.351
132 HH2 TRP 19 HH2 TRP 19 29.483 5.177 8.725
133 H ALA 20 H ALA 20 37.408 2.478 4.665
134 HA ALA 20 HA ALA 20 38.712 5.057 4.275
135 HB1 ALA 20 HB1 ALA 20 40.715 3.724 3.749
136 HB2 ALA 20 HB2 ALA 20 39.750 2.238 3.906
137 HB3 ALA 20 HB3 ALA 20 40.010 3.283 5.322
138 H SER 21 H SER 21 36.495 4.705 2.609
139 HA SER 21 HA SER 21 37.570 3.976 -0.013
140 HB2 SER 21 HB2 SER 21 35.438 2.982 0.457
141 HB3 SER 21 HB3 SER 21 34.757 4.550 0.948
142 HG SER 21 HG SER 21 34.354 4.965 -1.080
Start of MODEL 24
1 H1 ARG 1 H1 ARG 1 32.961 7.437 1.371
2 H2 ARG 1 H2 ARG 1 32.748 8.370 2.526
3 H3 ARG 1 H3 ARG 1 33.043 6.921 2.777
4 HA ARG 1 HA ARG 1 30.438 8.043 2.539
5 HB2 ARG 1 HB2 ARG 1 29.512 6.547 0.773
6 HB3 ARG 1 HB3 ARG 1 30.612 7.820 0.195
7 HG2 ARG 1 HG2 ARG 1 32.377 6.264 -0.179
8 HG3 ARG 1 HG3 ARG 1 31.537 4.984 0.730
9 HD2 ARG 1 HD2 ARG 1 29.864 4.765 -0.990
10 HD3 ARG 1 HD3 ARG 1 30.478 6.201 -1.842
11 HE ARG 1 HE ARG 1 31.533 3.520 -1.951
12 HH11 ARG 1 HH11 ARG 1 32.249 6.913 -2.429
13 HH12 ARG 1 HH12 ARG 1 33.559 6.603 -3.551
14 HH21 ARG 1 HH21 ARG 1 33.240 3.110 -3.403
15 HH22 ARG 1 HH22 ARG 1 34.118 4.457 -4.101
16 HA PRO 2 HA PRO 2 30.130 4.733 5.550
17 HB2 PRO 2 HB2 PRO 2 27.237 5.452 5.637
18 HB3 PRO 2 HB3 PRO 2 28.428 5.466 6.945
19 HG2 PRO 2 HG2 PRO 2 27.496 7.756 5.848
20 HG3 PRO 2 HG3 PRO 2 29.154 7.625 6.450
21 HD2 PRO 2 HD2 PRO 2 28.159 7.568 3.589
22 HD3 PRO 2 HD3 PRO 2 29.637 8.285 4.243
23 HA PRO 3 HA PRO 3 28.563 1.146 3.511
24 HB2 PRO 3 HB2 PRO 3 27.025 -0.033 5.552
25 HB3 PRO 3 HB3 PRO 3 28.770 -0.238 5.351
26 HG2 PRO 3 HG2 PRO 3 27.263 1.627 7.177
27 HG3 PRO 3 HG3 PRO 3 28.762 0.735 7.471
28 HD2 PRO 3 HD2 PRO 3 28.812 3.392 6.922
29 HD3 PRO 3 HD3 PRO 3 30.093 2.328 6.327
30 HA PRO 4 HA PRO 4 24.453 2.575 2.341
31 HB2 PRO 4 HB2 PRO 4 24.423 1.544 -0.160
32 HB3 PRO 4 HB3 PRO 4 25.428 2.945 0.236
33 HG2 PRO 4 HG2 PRO 4 26.225 0.028 0.001
34 HG3 PRO 4 HG3 PRO 4 27.064 1.463 -0.602
35 HD2 PRO 4 HD2 PRO 4 27.754 0.168 1.762
36 HD3 PRO 4 HD3 PRO 4 28.096 1.876 1.461
37 H SER 5 H SER 5 22.505 1.680 2.630
38 HA SER 5 HA SER 5 22.079 -0.844 3.648
39 HB2 SER 5 HB2 SER 5 20.165 0.977 2.174
40 HB3 SER 5 HB3 SER 5 19.661 -0.484 3.053
41 HG SER 5 HG SER 5 19.504 1.429 4.347
42 H ASP 6 H ASP 6 21.440 0.189 0.284
43 HA ASP 6 HA ASP 6 20.315 -2.127 -0.683
44 HB2 ASP 6 HB2 ASP 6 22.116 -0.155 -2.203
45 HB3 ASP 6 HB3 ASP 6 21.220 -1.562 -2.828
46 H AIB 7 H AIB 7 21.113 -3.901 -1.931
47 HB11 AIB 7 HB11 AIB 7 24.360 -6.134 -0.453
48 HB12 AIB 7 HB12 AIB 7 24.281 -4.421 0.024
49 HB13 AIB 7 HB13 AIB 7 22.973 -5.536 0.487
50 HB21 AIB 7 HB21 AIB 7 21.652 -6.601 -1.200
51 HB22 AIB 7 HB22 AIB 7 22.497 -6.754 -2.685
52 HB23 AIB 7 HB23 AIB 7 21.159 -5.690 -2.566
53 H ALA 8 H ALA 8 22.804 -3.847 -3.929
54 HA ALA 8 HA ALA 8 25.129 -4.850 -5.117
55 HB1 ALA 8 HB1 ALA 8 24.808 -3.121 -6.838
56 HB2 ALA 8 HB2 ALA 8 23.598 -2.335 -5.797
57 HB3 ALA 8 HB3 ALA 8 23.293 -3.966 -6.440
58 H ALA 9 H ALA 9 24.572 -1.544 -3.860
59 HA ALA 9 HA ALA 9 27.205 -0.684 -4.370
60 HB1 ALA 9 HB1 ALA 9 26.655 1.278 -2.994
61 HB2 ALA 9 HB2 ALA 9 25.160 0.469 -2.472
62 HB3 ALA 9 HB3 ALA 9 25.385 0.903 -4.183
63 H TYR 10 H TYR 10 25.789 -2.325 -1.611
64 HA TYR 10 HA TYR 10 27.708 -1.664 0.326
65 HB2 TYR 10 HB2 TYR 10 25.496 -2.814 0.690
66 HB3 TYR 10 HB3 TYR 10 26.282 -4.308 0.125
67 HD1 TYR 10 HD1 TYR 10 26.604 -1.620 2.716
68 HD2 TYR 10 HD2 TYR 10 27.438 -5.662 1.677
69 HE1 TYR 10 HE1 TYR 10 27.451 -2.027 4.986
70 HE2 TYR 10 HE2 TYR 10 28.287 -6.075 3.945
71 HH TYR 10 HH TYR 10 27.669 -4.533 6.455
72 H ALA 11 H ALA 11 27.741 -4.028 -2.269
73 HA ALA 11 HA ALA 11 29.965 -5.538 -1.364
74 HB1 ALA 11 HB1 ALA 11 30.047 -6.426 -3.659
75 HB2 ALA 11 HB2 ALA 11 28.862 -5.198 -4.161
76 HB3 ALA 11 HB3 ALA 11 28.399 -6.453 -2.988
77 H GLN 12 H GLN 12 29.667 -2.922 -3.782
78 HA GLN 12 HA GLN 12 32.414 -2.750 -4.395
79 HB2 GLN 12 HB2 GLN 12 30.244 -1.685 -5.478
80 HB3 GLN 12 HB3 GLN 12 30.708 -0.309 -4.449
81 HG2 GLN 12 HG2 GLN 12 32.526 -1.432 -6.764
82 HG3 GLN 12 HG3 GLN 12 31.424 -0.053 -6.535
83 HE21 GLN 12 HE22 GLN 12 34.577 -1.379 -5.956
84 HE22 GLN 12 HE21 GLN 12 35.250 -0.004 -5.145
85 H TRP 13 H TRP 13 30.430 -1.288 -1.885
86 HA TRP 13 HA TRP 13 32.174 0.655 -0.905
87 HB2 TRP 13 HB2 TRP 13 29.838 0.482 -0.134
88 HB3 TRP 13 HB3 TRP 13 30.191 -1.090 0.622
89 HD1 TRP 13 HD1 TRP 13 31.102 2.648 1.031
90 HE1 TRP 13 HE1 TRP 13 31.620 3.044 3.522
91 HE3 TRP 13 HE3 TRP 13 30.791 -2.167 2.701
92 HZ2 TRP 13 HZ2 TRP 13 31.865 1.516 5.882
93 HZ3 TRP 13 HZ3 TRP 13 31.188 -2.623 5.088
94 HH2 TRP 13 HH2 TRP 13 31.712 -0.814 6.644
95 H LEU 14 H LEU 14 31.873 -2.789 -0.061
96 HA LEU 14 HA LEU 14 33.912 -2.877 1.882
97 HB2 LEU 14 HB2 LEU 14 32.814 -4.836 -0.008
98 HB3 LEU 14 HB3 LEU 14 33.962 -5.408 1.226
99 HG LEU 14 HG LEU 14 31.227 -4.181 1.771
100 HD11 LEU 14 HD11 LEU 14 30.601 -6.419 2.544
101 HD12 LEU 14 HD12 LEU 14 31.055 -6.420 0.824
102 HD13 LEU 14 HD13 LEU 14 32.196 -7.030 2.046
103 HD21 LEU 14 HD21 LEU 14 31.632 -4.812 4.108
104 HD22 LEU 14 HD22 LEU 14 33.264 -5.373 3.670
105 HD23 LEU 14 HD23 LEU 14 32.848 -3.648 3.530
106 H ALA 15 H ALA 15 33.941 -3.373 -1.622
107 HA ALA 15 HA ALA 15 36.618 -4.190 -1.889
108 HB1 ALA 15 HB1 ALA 15 36.360 -3.600 -4.266
109 HB2 ALA 15 HB2 ALA 15 34.827 -2.784 -3.880
110 HB3 ALA 15 HB3 ALA 15 34.982 -4.542 -3.651
111 H ASP 16 H ASP 16 35.196 -1.012 -1.533
112 HA ASP 16 HA ASP 16 37.658 0.331 -2.310
113 HB2 ASP 16 HB2 ASP 16 34.848 1.132 -2.165
114 HB3 ASP 16 HB3 ASP 16 35.917 2.072 -1.095
115 H DAL 17 H DAL 17 37.150 -1.357 0.296
116 HA DAL 17 HA DAL 17 38.759 0.360 1.977
117 HB1 DAL 17 HB1 DAL 17 38.916 -1.598 3.461
118 HB2 DAL 17 HB2 DAL 17 39.358 -1.985 1.782
119 HB3 DAL 17 HB3 DAL 17 37.765 -2.463 2.415
120 H GLY 18 H GLY 18 35.459 -0.016 1.541
121 HA2 GLY 18 HA2 GLY 18 33.607 0.623 2.737
122 HA3 GLY 18 HA3 GLY 18 34.435 -0.042 4.165
123 H TRP 19 H TRP 19 35.200 1.322 5.669
124 HA TRP 19 HA TRP 19 34.438 4.056 5.576
125 HB2 TRP 19 HB2 TRP 19 36.121 2.459 7.534
126 HB3 TRP 19 HB3 TRP 19 35.767 4.189 7.759
127 HD1 TRP 19 HD1 TRP 19 34.506 0.913 8.717
128 HE1 TRP 19 HE1 TRP 19 32.092 1.072 9.592
129 HE3 TRP 19 HE3 TRP 19 33.345 5.610 7.054
130 HZ2 TRP 19 HZ2 TRP 19 29.975 2.940 9.579
131 HZ3 TRP 19 HZ3 TRP 19 31.104 6.507 7.527
132 HH2 TRP 19 HH2 TRP 19 29.455 5.198 8.763
133 H ALA 20 H ALA 20 37.407 2.353 4.850
134 HA ALA 20 HA ALA 20 38.933 4.833 4.657
135 HB1 ALA 20 HB1 ALA 20 40.850 3.366 4.170
136 HB2 ALA 20 HB2 ALA 20 39.765 1.957 4.209
137 HB3 ALA 20 HB3 ALA 20 40.030 2.917 5.684
138 H SER 21 H SER 21 36.801 4.765 2.871
139 HA SER 21 HA SER 21 37.946 4.048 0.272
140 HB2 SER 21 HB2 SER 21 35.710 3.216 0.635
141 HB3 SER 21 HB3 SER 21 35.139 4.835 1.100
142 HG SER 21 HG SER 21 34.588 4.750 -0.991
Start of MODEL 25
1 H1 ARG 1 H1 ARG 1 33.194 7.563 1.566
2 H2 ARG 1 H2 ARG 1 32.981 8.531 2.692
3 H3 ARG 1 H3 ARG 1 33.280 7.091 2.987
4 HA ARG 1 HA ARG 1 30.671 8.199 2.730
5 HB2 ARG 1 HB2 ARG 1 29.710 6.779 0.986
6 HB3 ARG 1 HB3 ARG 1 30.959 7.882 0.363
7 HG2 ARG 1 HG2 ARG 1 32.587 5.942 0.520
8 HG3 ARG 1 HG3 ARG 1 31.184 4.896 0.846
9 HD2 ARG 1 HD2 ARG 1 31.417 6.666 -1.609
10 HD3 ARG 1 HD3 ARG 1 31.951 4.969 -1.572
11 HE ARG 1 HE ARG 1 29.712 4.293 -1.413
12 HH11 ARG 1 HH11 ARG 1 29.980 7.785 -1.582
13 HH12 ARG 1 HH12 ARG 1 28.291 8.011 -1.994
14 HH21 ARG 1 HH21 ARG 1 27.525 4.585 -1.948
15 HH22 ARG 1 HH22 ARG 1 26.908 6.207 -2.200
16 HA PRO 2 HA PRO 2 30.066 4.817 5.538
17 HB2 PRO 2 HB2 PRO 2 27.450 5.193 6.156
18 HB3 PRO 2 HB3 PRO 2 28.682 6.364 6.649
19 HG2 PRO 2 HG2 PRO 2 26.740 6.494 4.334
20 HG3 PRO 2 HG3 PRO 2 27.274 7.785 5.419
21 HD2 PRO 2 HD2 PRO 2 28.305 7.354 2.846
22 HD3 PRO 2 HD3 PRO 2 29.144 8.259 4.112
23 HA PRO 3 HA PRO 3 28.508 1.168 3.577
24 HB2 PRO 3 HB2 PRO 3 26.762 0.575 5.923
25 HB3 PRO 3 HB3 PRO 3 28.082 -0.389 5.246
26 HG2 PRO 3 HG2 PRO 3 28.283 1.032 7.586
27 HG3 PRO 3 HG3 PRO 3 29.672 0.622 6.571
28 HD2 PRO 3 HD2 PRO 3 28.365 3.266 6.983
29 HD3 PRO 3 HD3 PRO 3 29.997 2.902 6.407
30 HA PRO 4 HA PRO 4 24.519 2.715 2.148
31 HB2 PRO 4 HB2 PRO 4 24.517 1.526 -0.286
32 HB3 PRO 4 HB3 PRO 4 25.577 2.900 0.057
33 HG2 PRO 4 HG2 PRO 4 26.237 -0.060 0.034
34 HG3 PRO 4 HG3 PRO 4 27.158 1.291 -0.640
35 HD2 PRO 4 HD2 PRO 4 27.750 0.129 1.808
36 HD3 PRO 4 HD3 PRO 4 28.150 1.808 1.421
37 H SER 5 H SER 5 22.437 1.888 1.951
38 HA SER 5 HA SER 5 21.862 -0.536 3.262
39 HB2 SER 5 HB2 SER 5 20.124 1.240 1.534
40 HB3 SER 5 HB3 SER 5 19.508 -0.141 2.471
41 HG SER 5 HG SER 5 19.323 1.861 3.614
42 H ASP 6 H ASP 6 21.347 0.308 -0.172
43 HA ASP 6 HA ASP 6 20.363 -2.017 -1.157
44 HB2 ASP 6 HB2 ASP 6 22.402 -0.182 -2.544
45 HB3 ASP 6 HB3 ASP 6 21.539 -1.594 -3.204
46 H AIB 7 H AIB 7 21.200 -3.912 -2.133
47 HB11 AIB 7 HB11 AIB 7 24.320 -6.099 -0.311
48 HB12 AIB 7 HB12 AIB 7 24.276 -4.352 0.029
49 HB13 AIB 7 HB13 AIB 7 22.923 -5.392 0.532
50 HB21 AIB 7 HB21 AIB 7 21.646 -6.564 -1.098
51 HB22 AIB 7 HB22 AIB 7 22.480 -6.822 -2.574
52 HB23 AIB 7 HB23 AIB 7 21.170 -5.718 -2.511
53 H ALA 8 H ALA 8 22.981 -4.071 -4.009
54 HA ALA 8 HA ALA 8 25.358 -5.181 -4.989
55 HB1 ALA 8 HB1 ALA 8 25.149 -3.576 -6.843
56 HB2 ALA 8 HB2 ALA 8 23.895 -2.707 -5.929
57 HB3 ALA 8 HB3 ALA 8 23.605 -4.377 -6.469
58 H ALA 9 H ALA 9 24.744 -1.853 -3.825
59 HA ALA 9 HA ALA 9 27.377 -0.956 -4.343
60 HB1 ALA 9 HB1 ALA 9 26.770 1.032 -3.032
61 HB2 ALA 9 HB2 ALA 9 25.281 0.213 -2.509
62 HB3 ALA 9 HB3 ALA 9 25.523 0.606 -4.228
63 H TYR 10 H TYR 10 25.912 -2.539 -1.585
64 HA TYR 10 HA TYR 10 27.743 -1.814 0.405
65 HB2 TYR 10 HB2 TYR 10 25.613 -2.895 0.880
66 HB3 TYR 10 HB3 TYR 10 26.190 -4.382 0.088
67 HD1 TYR 10 HD1 TYR 10 26.884 -2.108 2.969
68 HD2 TYR 10 HD2 TYR 10 27.360 -6.009 1.344
69 HE1 TYR 10 HE1 TYR 10 27.813 -2.880 5.111
70 HE2 TYR 10 HE2 TYR 10 28.294 -6.790 3.478
71 HH TYR 10 HH TYR 10 28.651 -4.592 6.247
72 H ALA 11 H ALA 11 27.935 -4.227 -2.140
73 HA ALA 11 HA ALA 11 30.149 -5.670 -1.090
74 HB1 ALA 11 HB1 ALA 11 30.318 -6.653 -3.341
75 HB2 ALA 11 HB2 ALA 11 29.128 -5.471 -3.932
76 HB3 ALA 11 HB3 ALA 11 28.651 -6.684 -2.721
77 H GLN 12 H GLN 12 29.894 -3.235 -3.702
78 HA GLN 12 HA GLN 12 32.648 -3.012 -4.203
79 HB2 GLN 12 HB2 GLN 12 30.528 -2.086 -5.451
80 HB3 GLN 12 HB3 GLN 12 30.856 -0.643 -4.463
81 HG2 GLN 12 HG2 GLN 12 32.253 -0.199 -6.572
82 HG3 GLN 12 HG3 GLN 12 33.119 -0.870 -5.171
83 HE21 GLN 12 HE22 GLN 12 34.706 -2.112 -5.962
84 HE22 GLN 12 HE21 GLN 12 34.515 -3.329 -7.180
85 H TRP 13 H TRP 13 30.556 -1.487 -1.833
86 HA TRP 13 HA TRP 13 32.215 0.570 -0.930
87 HB2 TRP 13 HB2 TRP 13 29.852 0.360 -0.232
88 HB3 TRP 13 HB3 TRP 13 30.242 -1.130 0.659
89 HD1 TRP 13 HD1 TRP 13 30.865 2.671 0.810
90 HE1 TRP 13 HE1 TRP 13 31.338 3.282 3.266
91 HE3 TRP 13 HE3 TRP 13 30.991 -2.024 2.797
92 HZ2 TRP 13 HZ2 TRP 13 31.710 1.943 5.726
93 HZ3 TRP 13 HZ3 TRP 13 31.417 -2.283 5.207
94 HH2 TRP 13 HH2 TRP 13 31.771 -0.338 6.640
95 H LEU 14 H LEU 14 31.998 -2.833 0.092
96 HA LEU 14 HA LEU 14 33.977 -2.742 2.101
97 HB2 LEU 14 HB2 LEU 14 33.009 -4.846 0.298
98 HB3 LEU 14 HB3 LEU 14 34.135 -5.301 1.598
99 HG LEU 14 HG LEU 14 31.345 -4.140 1.997
100 HD11 LEU 14 HD11 LEU 14 30.759 -6.362 2.849
101 HD12 LEU 14 HD12 LEU 14 31.267 -6.426 1.145
102 HD13 LEU 14 HD13 LEU 14 32.385 -6.947 2.427
103 HD21 LEU 14 HD21 LEU 14 31.699 -4.659 4.370
104 HD22 LEU 14 HD22 LEU 14 33.358 -5.193 4.004
105 HD23 LEU 14 HD23 LEU 14 32.902 -3.488 3.777
106 H ALA 15 H ALA 15 34.119 -3.489 -1.357
107 HA ALA 15 HA ALA 15 36.810 -4.233 -1.532
108 HB1 ALA 15 HB1 ALA 15 36.601 -3.742 -3.936
109 HB2 ALA 15 HB2 ALA 15 35.050 -2.931 -3.619
110 HB3 ALA 15 HB3 ALA 15 35.220 -4.676 -3.316
111 H ASP 16 H ASP 16 35.330 -1.055 -1.379
112 HA ASP 16 HA ASP 16 37.800 0.284 -2.135
113 HB2 ASP 16 HB2 ASP 16 35.068 1.015 -2.361
114 HB3 ASP 16 HB3 ASP 16 35.765 1.875 -0.966
115 H DAL 17 H DAL 17 37.362 -1.321 0.487
116 HA DAL 17 HA DAL 17 38.838 0.513 2.154
117 HB1 DAL 17 HB1 DAL 17 39.047 -1.392 3.696
118 HB2 DAL 17 HB2 DAL 17 39.535 -1.810 2.038
119 HB3 DAL 17 HB3 DAL 17 37.951 -2.334 2.658
120 H GLY 18 H GLY 18 35.536 -0.364 1.801
121 HA2 GLY 18 HA2 GLY 18 33.637 0.228 2.952
122 HA3 GLY 18 HA3 GLY 18 34.564 -0.158 4.421
123 H TRP 19 H TRP 19 35.126 1.454 5.750
124 HA TRP 19 HA TRP 19 34.029 4.034 5.390
125 HB2 TRP 19 HB2 TRP 19 35.839 2.781 7.444
126 HB3 TRP 19 HB3 TRP 19 35.601 4.545 7.445
127 HD1 TRP 19 HD1 TRP 19 34.101 1.429 8.731
128 HE1 TRP 19 HE1 TRP 19 31.771 1.900 9.720
129 HE3 TRP 19 HE3 TRP 19 33.370 6.135 6.877
130 HZ2 TRP 19 HZ2 TRP 19 29.874 3.993 9.713
131 HZ3 TRP 19 HZ3 TRP 19 31.274 7.304 7.414
132 HH2 TRP 19 HH2 TRP 19 29.562 6.253 8.802
133 H ALA 20 H ALA 20 37.166 2.691 4.645
134 HA ALA 20 HA ALA 20 38.330 5.320 4.168
135 HB1 ALA 20 HB1 ALA 20 40.385 4.074 3.627
136 HB2 ALA 20 HB2 ALA 20 39.497 2.548 3.834
137 HB3 ALA 20 HB3 ALA 20 39.733 3.633 5.223
138 H SER 21 H SER 21 36.090 4.791 2.558
139 HA SER 21 HA SER 21 37.168 4.105 -0.076
140 HB2 SER 21 HB2 SER 21 35.131 2.945 0.491
141 HB3 SER 21 HB3 SER 21 34.328 4.475 0.914
142 HG SER 21 HG SER 21 33.827 3.637 -1.234
Start of MODEL 26
1 H1 ARG 1 H1 ARG 1 32.534 7.660 1.163
2 H2 ARG 1 H2 ARG 1 32.303 8.580 2.325
3 H3 ARG 1 H3 ARG 1 32.723 7.160 2.565
4 HA ARG 1 HA ARG 1 30.030 8.075 2.453
5 HB2 ARG 1 HB2 ARG 1 29.116 6.567 0.725
6 HB3 ARG 1 HB3 ARG 1 30.170 7.850 0.086
7 HG2 ARG 1 HG2 ARG 1 31.994 6.277 -0.206
8 HG3 ARG 1 HG3 ARG 1 31.052 4.985 0.578
9 HD2 ARG 1 HD2 ARG 1 29.446 4.980 -1.238
10 HD3 ARG 1 HD3 ARG 1 30.223 6.396 -1.983
11 HE ARG 1 HE ARG 1 32.045 5.014 -2.614
12 HH11 ARG 1 HH11 ARG 1 29.405 3.210 -1.171
13 HH12 ARG 1 HH12 ARG 1 29.931 1.680 -1.845
14 HH21 ARG 1 HH21 ARG 1 32.724 3.030 -3.486
15 HH22 ARG 1 HH22 ARG 1 31.800 1.579 -3.149
16 HA PRO 2 HA PRO 2 30.140 4.748 5.466
17 HB2 PRO 2 HB2 PRO 2 27.226 5.268 5.771
18 HB3 PRO 2 HB3 PRO 2 28.510 5.391 6.981
19 HG2 PRO 2 HG2 PRO 2 27.316 7.587 5.930
20 HG3 PRO 2 HG3 PRO 2 29.013 7.596 6.427
21 HD2 PRO 2 HD2 PRO 2 27.850 7.427 3.635
22 HD3 PRO 2 HD3 PRO 2 29.306 8.263 4.190
23 HA PRO 3 HA PRO 3 28.620 1.084 3.534
24 HB2 PRO 3 HB2 PRO 3 27.300 -0.200 5.652
25 HB3 PRO 3 HB3 PRO 3 29.043 -0.276 5.357
26 HG2 PRO 3 HG2 PRO 3 27.504 1.477 7.267
27 HG3 PRO 3 HG3 PRO 3 29.070 0.684 7.484
28 HD2 PRO 3 HD2 PRO 3 28.916 3.342 6.937
29 HD3 PRO 3 HD3 PRO 3 30.237 2.364 6.285
30 HA PRO 4 HA PRO 4 24.370 2.337 2.667
31 HB2 PRO 4 HB2 PRO 4 24.266 1.402 0.116
32 HB3 PRO 4 HB3 PRO 4 25.143 2.883 0.522
33 HG2 PRO 4 HG2 PRO 4 26.217 0.097 0.048
34 HG3 PRO 4 HG3 PRO 4 26.890 1.654 -0.451
35 HD2 PRO 4 HD2 PRO 4 27.766 0.215 1.782
36 HD3 PRO 4 HD3 PRO 4 27.998 1.956 1.581
37 H SER 5 H SER 5 22.525 1.281 3.059
38 HA SER 5 HA SER 5 22.381 -1.335 3.936
39 HB2 SER 5 HB2 SER 5 20.208 0.435 2.795
40 HB3 SER 5 HB3 SER 5 19.896 -1.119 3.601
41 HG SER 5 HG SER 5 19.736 0.680 5.048
42 H ASP 6 H ASP 6 21.473 -0.104 0.710
43 HA ASP 6 HA ASP 6 20.380 -2.370 -0.391
44 HB2 ASP 6 HB2 ASP 6 22.091 -0.250 -1.815
45 HB3 ASP 6 HB3 ASP 6 21.211 -1.630 -2.516
46 H AIB 7 H AIB 7 21.183 -4.050 -1.766
47 HB11 AIB 7 HB11 AIB 7 24.523 -6.251 -0.514
48 HB12 AIB 7 HB12 AIB 7 24.399 -4.570 0.055
49 HB13 AIB 7 HB13 AIB 7 23.138 -5.750 0.483
50 HB21 AIB 7 HB21 AIB 7 21.807 -6.754 -1.195
51 HB22 AIB 7 HB22 AIB 7 22.670 -6.856 -2.674
52 HB23 AIB 7 HB23 AIB 7 21.299 -5.834 -2.550
53 H ALA 8 H ALA 8 22.768 -3.814 -3.795
54 HA ALA 8 HA ALA 8 25.057 -4.721 -5.154
55 HB1 ALA 8 HB1 ALA 8 24.558 -2.969 -6.807
56 HB2 ALA 8 HB2 ALA 8 23.372 -2.268 -5.681
57 HB3 ALA 8 HB3 ALA 8 23.111 -3.897 -6.346
58 H ALA 9 H ALA 9 24.434 -1.462 -3.787
59 HA ALA 9 HA ALA 9 27.017 -0.503 -4.396
60 HB1 ALA 9 HB1 ALA 9 26.465 1.417 -2.963
61 HB2 ALA 9 HB2 ALA 9 25.016 0.554 -2.396
62 HB3 ALA 9 HB3 ALA 9 25.158 1.025 -4.106
63 H TYR 10 H TYR 10 25.749 -2.198 -1.585
64 HA TYR 10 HA TYR 10 27.754 -1.535 0.260
65 HB2 TYR 10 HB2 TYR 10 25.632 -2.672 0.816
66 HB3 TYR 10 HB3 TYR 10 26.267 -4.148 0.048
67 HD1 TYR 10 HD1 TYR 10 26.672 -1.842 2.925
68 HD2 TYR 10 HD2 TYR 10 27.858 -5.546 1.202
69 HE1 TYR 10 HE1 TYR 10 27.744 -2.478 5.044
70 HE2 TYR 10 HE2 TYR 10 28.935 -6.190 3.319
71 HH TYR 10 HH TYR 10 29.888 -4.349 5.532
72 H ALA 11 H ALA 11 27.695 -3.878 -2.357
73 HA ALA 11 HA ALA 11 30.002 -5.345 -1.626
74 HB1 ALA 11 HB1 ALA 11 30.013 -6.122 -3.963
75 HB2 ALA 11 HB2 ALA 11 28.782 -4.901 -4.361
76 HB3 ALA 11 HB3 ALA 11 28.393 -6.222 -3.234
77 H GLN 12 H GLN 12 29.541 -2.673 -3.959
78 HA GLN 12 HA GLN 12 32.244 -2.371 -4.660
79 HB2 GLN 12 HB2 GLN 12 30.051 -1.346 -5.646
80 HB3 GLN 12 HB3 GLN 12 30.404 -0.022 -4.510
81 HG2 GLN 12 HG2 GLN 12 31.599 0.654 -6.717
82 HG3 GLN 12 HG3 GLN 12 32.566 0.045 -5.353
83 HE21 GLN 12 HE22 GLN 12 34.293 -0.875 -6.314
84 HE22 GLN 12 HE21 GLN 12 34.213 -2.105 -7.532
85 H TRP 13 H TRP 13 30.344 -1.081 -1.999
86 HA TRP 13 HA TRP 13 32.080 0.862 -1.009
87 HB2 TRP 13 HB2 TRP 13 29.768 0.560 -0.171
88 HB3 TRP 13 HB3 TRP 13 30.232 -1.001 0.546
89 HD1 TRP 13 HD1 TRP 13 30.928 2.774 0.984
90 HE1 TRP 13 HE1 TRP 13 31.545 3.159 3.455
91 HE3 TRP 13 HE3 TRP 13 31.024 -2.079 2.552
92 HZ2 TRP 13 HZ2 TRP 13 32.011 1.602 5.768
93 HZ3 TRP 13 HZ3 TRP 13 31.566 -2.557 4.905
94 HH2 TRP 13 HH2 TRP 13 32.049 -0.751 6.480
95 H LEU 14 H LEU 14 31.897 -2.620 -0.279
96 HA LEU 14 HA LEU 14 34.025 -2.729 1.563
97 HB2 LEU 14 HB2 LEU 14 32.903 -4.653 -0.349
98 HB3 LEU 14 HB3 LEU 14 34.107 -5.231 0.825
99 HG LEU 14 HG LEU 14 31.371 -4.084 1.519
100 HD11 LEU 14 HD11 LEU 14 30.799 -6.370 2.194
101 HD12 LEU 14 HD12 LEU 14 31.189 -6.273 0.460
102 HD13 LEU 14 HD13 LEU 14 32.381 -6.933 1.605
103 HD21 LEU 14 HD21 LEU 14 31.869 -4.835 3.801
104 HD22 LEU 14 HD22 LEU 14 33.490 -5.351 3.275
105 HD23 LEU 14 HD23 LEU 14 33.051 -3.627 3.243
106 H ALA 15 H ALA 15 33.909 -3.106 -1.953
107 HA ALA 15 HA ALA 15 36.558 -3.884 -2.400
108 HB1 ALA 15 HB1 ALA 15 36.207 -3.124 -4.715
109 HB2 ALA 15 HB2 ALA 15 34.704 -2.321 -4.205
110 HB3 ALA 15 HB3 ALA 15 34.843 -4.092 -4.107
111 H ASP 16 H ASP 16 35.169 -0.689 -1.891
112 HA ASP 16 HA ASP 16 37.630 0.657 -2.632
113 HB2 ASP 16 HB2 ASP 16 34.886 1.475 -2.505
114 HB3 ASP 16 HB3 ASP 16 35.806 2.221 -1.176
115 H DAL 17 H DAL 17 37.034 -1.138 -0.045
116 HA DAL 17 HA DAL 17 38.724 0.508 1.678
117 HB1 DAL 17 HB1 DAL 17 39.103 -1.566 2.947
118 HB2 DAL 17 HB2 DAL 17 39.500 -1.746 1.223
119 HB3 DAL 17 HB3 DAL 17 37.981 -2.418 1.860
120 H GLY 18 H GLY 18 35.498 0.242 1.290
121 HA2 GLY 18 HA2 GLY 18 33.654 0.599 2.615
122 HA3 GLY 18 HA3 GLY 18 34.512 -0.291 3.894
123 H TRP 19 H TRP 19 35.266 0.808 5.602
124 HA TRP 19 HA TRP 19 34.551 3.545 5.930
125 HB2 TRP 19 HB2 TRP 19 36.120 1.599 7.651
126 HB3 TRP 19 HB3 TRP 19 35.841 3.289 8.134
127 HD1 TRP 19 HD1 TRP 19 34.402 -0.027 8.549
128 HE1 TRP 19 HE1 TRP 19 31.973 0.118 9.387
129 HE3 TRP 19 HE3 TRP 19 33.510 4.918 7.607
130 HZ2 TRP 19 HZ2 TRP 19 29.947 2.070 9.620
131 HZ3 TRP 19 HZ3 TRP 19 31.302 5.846 8.165
132 HH2 TRP 19 HH2 TRP 19 29.557 4.450 9.149
133 H ALA 20 H ALA 20 37.485 1.884 4.998
134 HA ALA 20 HA ALA 20 39.075 4.327 5.221
135 HB1 ALA 20 HB1 ALA 20 40.982 2.894 4.614
136 HB2 ALA 20 HB2 ALA 20 39.870 1.518 4.425
137 HB3 ALA 20 HB3 ALA 20 40.094 2.268 6.023
138 H SER 21 H SER 21 37.000 4.511 3.354
139 HA SER 21 HA SER 21 38.279 4.167 0.740
140 HB2 SER 21 HB2 SER 21 36.050 3.253 0.857
141 HB3 SER 21 HB3 SER 21 35.416 4.774 1.526
142 HG SER 21 HG SER 21 36.577 4.477 -1.063
Start of MODEL 27
1 H1 ARG 1 H1 ARG 1 32.622 7.404 0.683
2 H2 ARG 1 H2 ARG 1 32.493 8.457 1.742
3 H3 ARG 1 H3 ARG 1 32.798 7.040 2.127
4 HA ARG 1 HA ARG 1 30.187 8.162 1.947
5 HB2 ARG 1 HB2 ARG 1 29.091 6.697 0.370
6 HB3 ARG 1 HB3 ARG 1 30.397 7.614 -0.416
7 HG2 ARG 1 HG2 ARG 1 31.455 5.121 0.546
8 HG3 ARG 1 HG3 ARG 1 29.979 4.792 -0.393
9 HD2 ARG 1 HD2 ARG 1 31.893 6.744 -1.567
10 HD3 ARG 1 HD3 ARG 1 32.428 5.049 -1.507
11 HE ARG 1 HE ARG 1 30.681 4.471 -2.965
12 HH11 ARG 1 HH11 ARG 1 30.710 7.914 -2.296
13 HH12 ARG 1 HH12 ARG 1 29.689 8.305 -3.666
14 HH21 ARG 1 HH21 ARG 1 29.362 4.980 -4.740
15 HH22 ARG 1 HH22 ARG 1 28.930 6.652 -5.042
16 HA PRO 2 HA PRO 2 29.930 5.138 5.233
17 HB2 PRO 2 HB2 PRO 2 27.024 5.701 5.361
18 HB3 PRO 2 HB3 PRO 2 28.267 6.021 6.578
19 HG2 PRO 2 HG2 PRO 2 27.068 8.009 5.155
20 HG3 PRO 2 HG3 PRO 2 28.729 8.138 5.748
21 HD2 PRO 2 HD2 PRO 2 27.751 7.537 2.946
22 HD3 PRO 2 HD3 PRO 2 29.147 8.492 3.461
23 HA PRO 3 HA PRO 3 28.499 1.309 3.558
24 HB2 PRO 3 HB2 PRO 3 27.048 0.278 5.749
25 HB3 PRO 3 HB3 PRO 3 28.789 0.090 5.499
26 HG2 PRO 3 HG2 PRO 3 27.309 2.074 7.214
27 HG3 PRO 3 HG3 PRO 3 28.845 1.252 7.517
28 HD2 PRO 3 HD2 PRO 3 28.796 3.849 6.740
29 HD3 PRO 3 HD3 PRO 3 30.076 2.769 6.171
30 HA PRO 4 HA PRO 4 24.315 2.555 2.396
31 HB2 PRO 4 HB2 PRO 4 24.314 1.441 -0.081
32 HB3 PRO 4 HB3 PRO 4 25.203 2.932 0.260
33 HG2 PRO 4 HG2 PRO 4 26.239 0.098 0.044
34 HG3 PRO 4 HG3 PRO 4 26.964 1.600 -0.543
35 HD2 PRO 4 HD2 PRO 4 27.713 0.327 1.833
36 HD3 PRO 4 HD3 PRO 4 27.984 2.044 1.511
37 H SER 5 H SER 5 22.426 1.552 2.745
38 HA SER 5 HA SER 5 22.220 -1.004 3.801
39 HB2 SER 5 HB2 SER 5 20.112 0.714 2.473
40 HB3 SER 5 HB3 SER 5 19.751 -0.782 3.365
41 HG SER 5 HG SER 5 19.561 1.108 4.685
42 H ASP 6 H ASP 6 21.446 0.034 0.474
43 HA ASP 6 HA ASP 6 20.373 -2.272 -0.546
44 HB2 ASP 6 HB2 ASP 6 22.216 -0.286 -1.998
45 HB3 ASP 6 HB3 ASP 6 21.339 -1.687 -2.662
46 H AIB 7 H AIB 7 21.204 -4.051 -1.769
47 HB11 AIB 7 HB11 AIB 7 24.453 -6.249 -0.235
48 HB12 AIB 7 HB12 AIB 7 24.368 -4.528 0.212
49 HB13 AIB 7 HB13 AIB 7 23.067 -5.640 0.698
50 HB21 AIB 7 HB21 AIB 7 21.737 -6.724 -0.933
51 HB22 AIB 7 HB22 AIB 7 22.586 -6.934 -2.409
52 HB23 AIB 7 HB23 AIB 7 21.249 -5.863 -2.333
53 H ALA 8 H ALA 8 22.877 -3.989 -3.713
54 HA ALA 8 HA ALA 8 25.184 -5.060 -4.912
55 HB1 ALA 8 HB1 ALA 8 24.807 -3.413 -6.702
56 HB2 ALA 8 HB2 ALA 8 23.603 -2.599 -5.677
57 HB3 ALA 8 HB3 ALA 8 23.314 -4.262 -6.239
58 H ALA 9 H ALA 9 24.617 -1.709 -3.763
59 HA ALA 9 HA ALA 9 27.256 -0.871 -4.345
60 HB1 ALA 9 HB1 ALA 9 26.705 1.166 -3.082
61 HB2 ALA 9 HB2 ALA 9 25.205 0.392 -2.521
62 HB3 ALA 9 HB3 ALA 9 25.437 0.728 -4.252
63 H TYR 10 H TYR 10 25.812 -2.310 -1.471
64 HA TYR 10 HA TYR 10 27.756 -1.566 0.405
65 HB2 TYR 10 HB2 TYR 10 25.575 -2.626 0.930
66 HB3 TYR 10 HB3 TYR 10 26.237 -4.167 0.333
67 HD1 TYR 10 HD1 TYR 10 26.483 -1.624 3.017
68 HD2 TYR 10 HD2 TYR 10 27.772 -5.454 1.688
69 HE1 TYR 10 HE1 TYR 10 27.428 -2.072 5.241
70 HE2 TYR 10 HE2 TYR 10 28.725 -5.910 3.909
71 HH TYR 10 HH TYR 10 27.991 -4.641 6.524
72 H ALA 11 H ALA 11 27.757 -4.083 -2.046
73 HA ALA 11 HA ALA 11 29.989 -5.544 -1.086
74 HB1 ALA 11 HB1 ALA 11 30.073 -6.524 -3.344
75 HB2 ALA 11 HB2 ALA 11 28.888 -5.317 -3.896
76 HB3 ALA 11 HB3 ALA 11 28.424 -6.524 -2.674
77 H GLN 12 H GLN 12 29.698 -3.086 -3.670
78 HA GLN 12 HA GLN 12 32.441 -2.917 -4.263
79 HB2 GLN 12 HB2 GLN 12 30.322 -1.954 -5.453
80 HB3 GLN 12 HB3 GLN 12 30.677 -0.525 -4.454
81 HG2 GLN 12 HG2 GLN 12 31.907 -0.504 -6.917
82 HG3 GLN 12 HG3 GLN 12 32.589 -0.187 -5.304
83 HE21 GLN 12 HE22 GLN 12 32.031 -2.932 -7.556
84 HE22 GLN 12 HE21 GLN 12 33.584 -3.661 -7.314
85 H TRP 13 H TRP 13 30.458 -1.327 -1.838
86 HA TRP 13 HA TRP 13 32.204 0.669 -0.973
87 HB2 TRP 13 HB2 TRP 13 29.865 0.535 -0.196
88 HB3 TRP 13 HB3 TRP 13 30.226 -0.984 0.657
89 HD1 TRP 13 HD1 TRP 13 31.104 2.780 0.834
90 HE1 TRP 13 HE1 TRP 13 31.619 3.327 3.297
91 HE3 TRP 13 HE3 TRP 13 30.845 -1.931 2.786
92 HZ2 TRP 13 HZ2 TRP 13 31.876 1.946 5.746
93 HZ3 TRP 13 HZ3 TRP 13 31.243 -2.240 5.196
94 HH2 TRP 13 HH2 TRP 13 31.748 -0.337 6.644
95 H LEU 14 H LEU 14 31.901 -2.722 0.071
96 HA LEU 14 HA LEU 14 33.948 -2.706 2.009
97 HB2 LEU 14 HB2 LEU 14 32.851 -4.773 0.238
98 HB3 LEU 14 HB3 LEU 14 33.993 -5.267 1.509
99 HG LEU 14 HG LEU 14 31.258 -4.010 1.972
100 HD11 LEU 14 HD11 LEU 14 30.619 -6.203 2.856
101 HD12 LEU 14 HD12 LEU 14 31.079 -6.294 1.140
102 HD13 LEU 14 HD13 LEU 14 32.212 -6.846 2.396
103 HD21 LEU 14 HD21 LEU 14 31.650 -4.524 4.339
104 HD22 LEU 14 HD22 LEU 14 33.282 -5.113 3.938
105 HD23 LEU 14 HD23 LEU 14 32.874 -3.396 3.710
106 H ALA 15 H ALA 15 33.962 -3.453 -1.454
107 HA ALA 15 HA ALA 15 36.608 -4.314 -1.707
108 HB1 ALA 15 HB1 ALA 15 36.368 -3.789 -4.101
109 HB2 ALA 15 HB2 ALA 15 34.866 -2.908 -3.740
110 HB3 ALA 15 HB3 ALA 15 34.958 -4.662 -3.456
111 H ASP 16 H ASP 16 35.290 -1.063 -1.515
112 HA ASP 16 HA ASP 16 37.827 0.140 -2.286
113 HB2 ASP 16 HB2 ASP 16 35.112 1.016 -2.479
114 HB3 ASP 16 HB3 ASP 16 35.932 1.892 -1.162
115 H DAL 17 H DAL 17 37.265 -1.402 0.358
116 HA DAL 17 HA DAL 17 38.831 0.378 2.009
117 HB1 DAL 17 HB1 DAL 17 38.949 -1.522 3.569
118 HB2 DAL 17 HB2 DAL 17 39.428 -1.970 1.915
119 HB3 DAL 17 HB3 DAL 17 37.821 -2.424 2.529
120 H GLY 18 H GLY 18 35.523 -0.068 1.546
121 HA2 GLY 18 HA2 GLY 18 33.655 0.631 2.683
122 HA3 GLY 18 HA3 GLY 18 34.469 0.039 4.150
123 H TRP 19 H TRP 19 35.217 1.479 5.598
124 HA TRP 19 HA TRP 19 34.432 4.197 5.378
125 HB2 TRP 19 HB2 TRP 19 36.120 2.702 7.408
126 HB3 TRP 19 HB3 TRP 19 35.782 4.443 7.548
127 HD1 TRP 19 HD1 TRP 19 34.496 1.232 8.673
128 HE1 TRP 19 HE1 TRP 19 32.085 1.454 9.542
129 HE3 TRP 19 HE3 TRP 19 33.366 5.845 6.775
130 HZ2 TRP 19 HZ2 TRP 19 29.982 3.333 9.438
131 HZ3 TRP 19 HZ3 TRP 19 31.132 6.781 7.205
132 HH2 TRP 19 HH2 TRP 19 29.475 5.549 8.509
133 H ALA 20 H ALA 20 37.415 2.496 4.719
134 HA ALA 20 HA ALA 20 38.922 4.977 4.421
135 HB1 ALA 20 HB1 ALA 20 40.847 3.506 3.984
136 HB2 ALA 20 HB2 ALA 20 39.772 2.092 4.081
137 HB3 ALA 20 HB3 ALA 20 40.036 3.109 5.517
138 H SER 21 H SER 21 36.789 4.836 2.652
139 HA SER 21 HA SER 21 37.908 4.002 0.081
140 HB2 SER 21 HB2 SER 21 35.684 3.207 0.399
141 HB3 SER 21 HB3 SER 21 35.122 4.804 0.945
142 HG SER 21 HG SER 21 36.145 4.324 -1.669
Start of MODEL 28
1 H1 ARG 1 H1 ARG 1 32.779 7.316 0.580
2 H2 ARG 1 H2 ARG 1 32.676 8.375 1.637
3 H3 ARG 1 H3 ARG 1 32.966 6.956 2.024
4 HA ARG 1 HA ARG 1 30.370 8.112 1.869
5 HB2 ARG 1 HB2 ARG 1 29.235 6.671 0.308
6 HB3 ARG 1 HB3 ARG 1 30.557 7.547 -0.497
7 HG2 ARG 1 HG2 ARG 1 31.789 5.209 0.288
8 HG3 ARG 1 HG3 ARG 1 30.149 4.651 -0.122
9 HD2 ARG 1 HD2 ARG 1 31.797 6.406 -1.961
10 HD3 ARG 1 HD3 ARG 1 31.859 4.629 -2.014
11 HE ARG 1 HE ARG 1 29.617 4.606 -2.764
12 HH11 ARG 1 HH11 ARG 1 30.884 7.862 -2.445
13 HH12 ARG 1 HH12 ARG 1 29.653 8.566 -3.475
14 HH21 ARG 1 HH21 ARG 1 28.027 5.520 -4.103
15 HH22 ARG 1 HH22 ARG 1 28.044 7.245 -4.409
16 HA PRO 2 HA PRO 2 30.103 5.111 5.176
17 HB2 PRO 2 HB2 PRO 2 27.204 5.715 5.315
18 HB3 PRO 2 HB3 PRO 2 28.458 6.023 6.524
19 HG2 PRO 2 HG2 PRO 2 27.280 8.021 5.101
20 HG3 PRO 2 HG3 PRO 2 28.947 8.129 5.682
21 HD2 PRO 2 HD2 PRO 2 27.942 7.529 2.888
22 HD3 PRO 2 HD3 PRO 2 29.356 8.464 3.390
23 HA PRO 3 HA PRO 3 28.556 1.285 3.593
24 HB2 PRO 3 HB2 PRO 3 27.040 0.335 5.768
25 HB3 PRO 3 HB3 PRO 3 28.785 0.116 5.576
26 HG2 PRO 3 HG2 PRO 3 27.285 2.169 7.192
27 HG3 PRO 3 HG3 PRO 3 28.791 1.323 7.571
28 HD2 PRO 3 HD2 PRO 3 28.825 3.901 6.724
29 HD3 PRO 3 HD3 PRO 3 30.103 2.780 6.235
30 HA PRO 4 HA PRO 4 24.428 2.633 2.336
31 HB2 PRO 4 HB2 PRO 4 24.425 1.458 -0.115
32 HB3 PRO 4 HB3 PRO 4 25.353 2.931 0.202
33 HG2 PRO 4 HG2 PRO 4 26.307 0.061 0.076
34 HG3 PRO 4 HG3 PRO 4 27.081 1.524 -0.548
35 HD2 PRO 4 HD2 PRO 4 27.779 0.306 1.867
36 HD3 PRO 4 HD3 PRO 4 28.087 2.009 1.506
37 H SER 5 H SER 5 22.502 1.690 2.664
38 HA SER 5 HA SER 5 22.211 -0.810 3.814
39 HB2 SER 5 HB2 SER 5 20.540 0.943 4.062
40 HB3 SER 5 HB3 SER 5 20.136 0.827 2.334
41 HG SER 5 HG SER 5 18.669 -0.361 3.671
42 H ASP 6 H ASP 6 21.471 0.096 0.437
43 HA ASP 6 HA ASP 6 20.362 -2.273 -0.429
44 HB2 ASP 6 HB2 ASP 6 22.090 -0.310 -2.046
45 HB3 ASP 6 HB3 ASP 6 21.210 -1.753 -2.610
46 H AIB 7 H AIB 7 21.185 -4.063 -1.659
47 HB11 AIB 7 HB11 AIB 7 24.458 -6.236 -0.126
48 HB12 AIB 7 HB12 AIB 7 24.366 -4.518 0.332
49 HB13 AIB 7 HB13 AIB 7 23.067 -5.638 0.808
50 HB21 AIB 7 HB21 AIB 7 21.731 -6.695 -0.806
51 HB22 AIB 7 HB22 AIB 7 22.580 -6.930 -2.277
52 HB23 AIB 7 HB23 AIB 7 21.246 -5.856 -2.219
53 H ALA 8 H ALA 8 22.857 -4.018 -3.632
54 HA ALA 8 HA ALA 8 25.136 -5.122 -4.839
55 HB1 ALA 8 HB1 ALA 8 24.769 -3.484 -6.639
56 HB2 ALA 8 HB2 ALA 8 23.594 -2.638 -5.607
57 HB3 ALA 8 HB3 ALA 8 23.266 -4.301 -6.150
58 H ALA 9 H ALA 9 24.650 -1.740 -3.736
59 HA ALA 9 HA ALA 9 27.308 -0.982 -4.344
60 HB1 ALA 9 HB1 ALA 9 26.812 1.097 -3.127
61 HB2 ALA 9 HB2 ALA 9 25.295 0.373 -2.545
62 HB3 ALA 9 HB3 ALA 9 25.531 0.666 -4.284
63 H TYR 10 H TYR 10 25.851 -2.365 -1.460
64 HA TYR 10 HA TYR 10 27.791 -1.611 0.415
65 HB2 TYR 10 HB2 TYR 10 25.598 -2.663 0.931
66 HB3 TYR 10 HB3 TYR 10 26.274 -4.212 0.371
67 HD1 TYR 10 HD1 TYR 10 26.509 -1.601 2.997
68 HD2 TYR 10 HD2 TYR 10 27.776 -5.476 1.777
69 HE1 TYR 10 HE1 TYR 10 27.440 -1.998 5.238
70 HE2 TYR 10 HE2 TYR 10 28.709 -5.882 4.015
71 HH TYR 10 HH TYR 10 27.967 -4.517 6.597
72 H ALA 11 H ALA 11 27.795 -4.129 -2.028
73 HA ALA 11 HA ALA 11 30.022 -5.594 -1.057
74 HB1 ALA 11 HB1 ALA 11 30.108 -6.581 -3.309
75 HB2 ALA 11 HB2 ALA 11 28.925 -5.375 -3.867
76 HB3 ALA 11 HB3 ALA 11 28.458 -6.579 -2.642
77 H GLN 12 H GLN 12 29.743 -3.151 -3.659
78 HA GLN 12 HA GLN 12 32.486 -2.992 -4.244
79 HB2 GLN 12 HB2 GLN 12 30.373 -2.010 -5.440
80 HB3 GLN 12 HB3 GLN 12 30.724 -0.587 -4.431
81 HG2 GLN 12 HG2 GLN 12 32.983 -1.667 -6.319
82 HG3 GLN 12 HG3 GLN 12 31.492 -0.783 -6.722
83 HE21 GLN 12 HE22 GLN 12 34.570 -0.688 -4.985
84 HE22 GLN 12 HE21 GLN 12 34.620 1.031 -4.779
85 H TRP 13 H TRP 13 30.493 -1.368 -1.843
86 HA TRP 13 HA TRP 13 32.235 0.614 -0.957
87 HB2 TRP 13 HB2 TRP 13 29.891 0.478 -0.203
88 HB3 TRP 13 HB3 TRP 13 30.244 -1.041 0.654
89 HD1 TRP 13 HD1 TRP 13 31.134 2.719 0.836
90 HE1 TRP 13 HE1 TRP 13 31.615 3.269 3.304
91 HE3 TRP 13 HE3 TRP 13 30.817 -1.985 2.797
92 HZ2 TRP 13 HZ2 TRP 13 31.834 1.894 5.759
93 HZ3 TRP 13 HZ3 TRP 13 31.181 -2.290 5.212
94 HH2 TRP 13 HH2 TRP 13 31.677 -0.387 6.662
95 H LEU 14 H LEU 14 31.918 -2.771 0.112
96 HA LEU 14 HA LEU 14 33.949 -2.743 2.061
97 HB2 LEU 14 HB2 LEU 14 32.871 -4.817 0.287
98 HB3 LEU 14 HB3 LEU 14 34.008 -5.308 1.563
99 HG LEU 14 HG LEU 14 31.269 -4.053 2.012
100 HD11 LEU 14 HD11 LEU 14 30.629 -6.240 2.908
101 HD12 LEU 14 HD12 LEU 14 31.096 -6.342 1.194
102 HD13 LEU 14 HD13 LEU 14 32.225 -6.885 2.458
103 HD21 LEU 14 HD21 LEU 14 31.655 -4.548 4.383
104 HD22 LEU 14 HD22 LEU 14 33.291 -5.133 3.991
105 HD23 LEU 14 HD23 LEU 14 32.875 -3.420 3.747
106 H ALA 15 H ALA 15 34.006 -3.429 -1.408
107 HA ALA 15 HA ALA 15 36.647 -4.311 -1.645
108 HB1 ALA 15 HB1 ALA 15 36.442 -3.728 -4.030
109 HB2 ALA 15 HB2 ALA 15 34.941 -2.845 -3.667
110 HB3 ALA 15 HB3 ALA 15 35.018 -4.606 -3.422
111 H ASP 16 H ASP 16 35.338 -1.049 -1.466
112 HA ASP 16 HA ASP 16 37.908 0.148 -2.128
113 HB2 ASP 16 HB2 ASP 16 35.234 1.032 -2.461
114 HB3 ASP 16 HB3 ASP 16 35.924 1.851 -1.038
115 H DAL 17 H DAL 17 37.323 -1.439 0.458
116 HA DAL 17 HA DAL 17 38.825 0.297 2.190
117 HB1 DAL 17 HB1 DAL 17 38.824 -1.610 3.745
118 HB2 DAL 17 HB2 DAL 17 39.350 -2.072 2.110
119 HB3 DAL 17 HB3 DAL 17 37.706 -2.473 2.662
120 H GLY 18 H GLY 18 35.501 -0.219 1.648
121 HA2 GLY 18 HA2 GLY 18 33.602 0.517 2.707
122 HA3 GLY 18 HA3 GLY 18 34.397 0.014 4.218
123 H TRP 19 H TRP 19 35.102 1.534 5.601
124 HA TRP 19 HA TRP 19 34.254 4.215 5.262
125 HB2 TRP 19 HB2 TRP 19 35.976 2.847 7.348
126 HB3 TRP 19 HB3 TRP 19 35.610 4.587 7.414
127 HD1 TRP 19 HD1 TRP 19 34.304 1.318 8.503
128 HE1 TRP 19 HE1 TRP 19 31.917 1.574 9.432
129 HE3 TRP 19 HE3 TRP 19 33.275 6.038 6.822
130 HZ2 TRP 19 HZ2 TRP 19 29.871 3.516 9.451
131 HZ3 TRP 19 HZ3 TRP 19 31.078 7.019 7.339
132 HH2 TRP 19 HH2 TRP 19 29.413 5.783 8.625
133 H ALA 20 H ALA 20 37.245 2.579 4.554
134 HA ALA 20 HA ALA 20 38.704 5.084 4.225
135 HB1 ALA 20 HB1 ALA 20 40.641 3.647 3.728
136 HB2 ALA 20 HB2 ALA 20 39.592 2.215 3.853
137 HB3 ALA 20 HB3 ALA 20 39.880 3.234 5.283
138 H SER 21 H SER 21 36.498 4.838 2.509
139 HA SER 21 HA SER 21 37.629 4.127 -0.099
140 HB2 SER 21 HB2 SER 21 35.475 3.125 0.361
141 HB3 SER 21 HB3 SER 21 34.785 4.712 0.772
142 HG SER 21 HG SER 21 34.374 4.949 -1.279
Start of MODEL 29
1 H1 ARG 1 H1 ARG 1 32.546 7.353 0.514
2 H2 ARG 1 H2 ARG 1 32.367 8.432 1.541
3 H3 ARG 1 H3 ARG 1 32.684 7.031 1.972
4 HA ARG 1 HA ARG 1 30.062 8.101 1.683
5 HB2 ARG 1 HB2 ARG 1 29.038 6.566 0.124
6 HB3 ARG 1 HB3 ARG 1 30.340 7.496 -0.654
7 HG2 ARG 1 HG2 ARG 1 31.742 5.318 0.091
8 HG3 ARG 1 HG3 ARG 1 30.136 4.573 -0.094
9 HD2 ARG 1 HD2 ARG 1 31.368 6.324 -2.233
10 HD3 ARG 1 HD3 ARG 1 31.664 4.572 -2.152
11 HE ARG 1 HE ARG 1 29.396 4.194 -2.666
12 HH11 ARG 1 HH11 ARG 1 30.194 7.609 -2.675
13 HH12 ARG 1 HH12 ARG 1 28.767 8.058 -3.588
14 HH21 ARG 1 HH21 ARG 1 27.549 4.777 -3.854
15 HH22 ARG 1 HH22 ARG 1 27.277 6.462 -4.252
16 HA PRO 2 HA PRO 2 29.829 5.198 5.088
17 HB2 PRO 2 HB2 PRO 2 26.923 5.822 5.151
18 HB3 PRO 2 HB3 PRO 2 28.145 6.104 6.399
19 HG2 PRO 2 HG2 PRO 2 27.051 8.130 4.958
20 HG3 PRO 2 HG3 PRO 2 28.710 8.198 5.568
21 HD2 PRO 2 HD2 PRO 2 27.739 7.642 2.756
22 HD3 PRO 2 HD3 PRO 2 29.176 8.524 3.289
23 HA PRO 3 HA PRO 3 28.361 1.324 3.556
24 HB2 PRO 3 HB2 PRO 3 26.770 0.460 5.735
25 HB3 PRO 3 HB3 PRO 3 28.505 0.171 5.549
26 HG2 PRO 3 HG2 PRO 3 27.085 2.290 7.141
27 HG3 PRO 3 HG3 PRO 3 28.583 1.424 7.506
28 HD2 PRO 3 HD2 PRO 3 28.647 3.988 6.624
29 HD3 PRO 3 HD3 PRO 3 29.895 2.839 6.126
30 HA PRO 4 HA PRO 4 24.263 2.614 2.162
31 HB2 PRO 4 HB2 PRO 4 24.346 1.432 -0.279
32 HB3 PRO 4 HB3 PRO 4 25.258 2.910 0.057
33 HG2 PRO 4 HG2 PRO 4 26.228 0.045 -0.033
34 HG3 PRO 4 HG3 PRO 4 27.021 1.512 -0.624
35 HD2 PRO 4 HD2 PRO 4 27.617 0.281 1.820
36 HD3 PRO 4 HD3 PRO 4 27.962 1.978 1.460
37 H SER 5 H SER 5 22.331 1.648 2.406
38 HA SER 5 HA SER 5 22.025 -0.901 3.473
39 HB2 SER 5 HB2 SER 5 20.021 0.856 2.039
40 HB3 SER 5 HB3 SER 5 19.588 -0.631 2.913
41 HG SER 5 HG SER 5 19.366 1.265 4.221
42 H ASP 6 H ASP 6 21.205 0.141 0.143
43 HA ASP 6 HA ASP 6 20.339 -2.162 -0.972
44 HB2 ASP 6 HB2 ASP 6 20.693 0.069 -2.228
45 HB3 ASP 6 HB3 ASP 6 22.401 -0.434 -2.171
46 H AIB 7 H AIB 7 21.113 -4.102 -1.623
47 HB11 AIB 7 HB11 AIB 7 24.460 -6.079 -0.108
48 HB12 AIB 7 HB12 AIB 7 24.323 -4.340 0.242
49 HB13 AIB 7 HB13 AIB 7 23.049 -5.460 0.779
50 HB21 AIB 7 HB21 AIB 7 21.758 -6.677 -0.839
51 HB22 AIB 7 HB22 AIB 7 22.629 -6.921 -2.296
52 HB23 AIB 7 HB23 AIB 7 21.263 -5.885 -2.276
53 H ALA 8 H ALA 8 22.883 -4.021 -3.724
54 HA ALA 8 HA ALA 8 25.215 -5.062 -4.867
55 HB1 ALA 8 HB1 ALA 8 24.916 -3.371 -6.631
56 HB2 ALA 8 HB2 ALA 8 23.703 -2.553 -5.620
57 HB3 ALA 8 HB3 ALA 8 23.393 -4.197 -6.226
58 H ALA 9 H ALA 9 24.656 -1.779 -3.546
59 HA ALA 9 HA ALA 9 27.292 -0.917 -4.181
60 HB1 ALA 9 HB1 ALA 9 26.732 1.115 -2.916
61 HB2 ALA 9 HB2 ALA 9 25.240 0.332 -2.349
62 HB3 ALA 9 HB3 ALA 9 25.461 0.674 -4.081
63 H TYR 10 H TYR 10 25.846 -2.412 -1.364
64 HA TYR 10 HA TYR 10 27.738 -1.650 0.563
65 HB2 TYR 10 HB2 TYR 10 25.513 -2.734 0.975
66 HB3 TYR 10 HB3 TYR 10 26.262 -4.274 0.486
67 HD1 TYR 10 HD1 TYR 10 26.233 -1.625 3.077
68 HD2 TYR 10 HD2 TYR 10 27.789 -5.428 1.975
69 HE1 TYR 10 HE1 TYR 10 27.065 -1.943 5.366
70 HE2 TYR 10 HE2 TYR 10 28.630 -5.753 4.262
71 HH TYR 10 HH TYR 10 27.678 -4.432 6.778
72 H ALA 11 H ALA 11 27.800 -4.144 -1.904
73 HA ALA 11 HA ALA 11 29.976 -5.639 -0.845
74 HB1 ALA 11 HB1 ALA 11 30.081 -6.681 -3.073
75 HB2 ALA 11 HB2 ALA 11 28.927 -5.470 -3.678
76 HB3 ALA 11 HB3 ALA 11 28.421 -6.635 -2.433
77 H GLN 12 H GLN 12 29.778 -3.272 -3.524
78 HA GLN 12 HA GLN 12 32.532 -3.163 -4.058
79 HB2 GLN 12 HB2 GLN 12 30.446 -2.197 -5.317
80 HB3 GLN 12 HB3 GLN 12 30.812 -0.743 -4.359
81 HG2 GLN 12 HG2 GLN 12 32.167 -0.449 -6.559
82 HG3 GLN 12 HG3 GLN 12 33.019 -0.908 -5.066
83 HE21 GLN 12 HE22 GLN 12 34.697 -2.141 -5.650
84 HE22 GLN 12 HE21 GLN 12 34.625 -3.488 -6.738
85 H TRP 13 H TRP 13 30.529 -1.482 -1.716
86 HA TRP 13 HA TRP 13 32.291 0.518 -0.879
87 HB2 TRP 13 HB2 TRP 13 29.923 0.454 -0.176
88 HB3 TRP 13 HB3 TRP 13 30.233 -1.032 0.754
89 HD1 TRP 13 HD1 TRP 13 31.184 2.720 0.791
90 HE1 TRP 13 HE1 TRP 13 31.626 3.369 3.243
91 HE3 TRP 13 HE3 TRP 13 30.751 -1.891 2.944
92 HZ2 TRP 13 HZ2 TRP 13 31.767 2.098 5.759
93 HZ3 TRP 13 HZ3 TRP 13 31.057 -2.094 5.378
94 HH2 TRP 13 HH2 TRP 13 31.555 -0.138 6.756
95 H LEU 14 H LEU 14 31.867 -2.816 0.312
96 HA LEU 14 HA LEU 14 33.858 -2.762 2.300
97 HB2 LEU 14 HB2 LEU 14 32.776 -4.880 0.580
98 HB3 LEU 14 HB3 LEU 14 33.867 -5.343 1.906
99 HG LEU 14 HG LEU 14 31.146 -4.016 2.232
100 HD11 LEU 14 HD11 LEU 14 30.434 -6.164 3.173
101 HD12 LEU 14 HD12 LEU 14 30.947 -6.325 1.477
102 HD13 LEU 14 HD13 LEU 14 32.028 -6.853 2.788
103 HD21 LEU 14 HD21 LEU 14 31.449 -4.451 4.627
104 HD22 LEU 14 HD22 LEU 14 33.080 -5.088 4.303
105 HD23 LEU 14 HD23 LEU 14 32.717 -3.372 3.999
106 H ALA 15 H ALA 15 33.967 -3.631 -1.129
107 HA ALA 15 HA ALA 15 36.596 -4.567 -1.266
108 HB1 ALA 15 HB1 ALA 15 36.438 -4.129 -3.684
109 HB2 ALA 15 HB2 ALA 15 34.947 -3.202 -3.400
110 HB3 ALA 15 HB3 ALA 15 34.991 -4.945 -3.048
111 H ASP 16 H ASP 16 35.348 -1.274 -1.308
112 HA ASP 16 HA ASP 16 37.955 -0.180 -2.007
113 HB2 ASP 16 HB2 ASP 16 35.291 0.746 -2.414
114 HB3 ASP 16 HB3 ASP 16 36.030 1.663 -1.077
115 H DAL 17 H DAL 17 37.235 -1.553 0.689
116 HA DAL 17 HA DAL 17 38.792 0.244 2.308
117 HB1 DAL 17 HB1 DAL 17 38.669 -1.528 4.012
118 HB2 DAL 17 HB2 DAL 17 39.201 -2.145 2.431
119 HB3 DAL 17 HB3 DAL 17 37.530 -2.422 2.977
120 H GLY 18 H GLY 18 35.471 -0.060 1.704
121 HA2 GLY 18 HA2 GLY 18 33.597 0.841 2.678
122 HA3 GLY 18 HA3 GLY 18 34.329 0.398 4.237
123 H TRP 19 H TRP 19 35.197 1.950 5.501
124 HA TRP 19 HA TRP 19 34.486 4.650 5.008
125 HB2 TRP 19 HB2 TRP 19 36.283 3.419 7.132
126 HB3 TRP 19 HB3 TRP 19 35.766 5.122 7.121
127 HD1 TRP 19 HD1 TRP 19 34.832 1.898 8.541
128 HE1 TRP 19 HE1 TRP 19 32.425 1.954 9.449
129 HE3 TRP 19 HE3 TRP 19 33.223 6.211 6.316
130 HZ2 TRP 19 HZ2 TRP 19 30.147 3.606 9.249
131 HZ3 TRP 19 HZ3 TRP 19 30.915 6.959 6.726
132 HH2 TRP 19 HH2 TRP 19 29.410 5.682 8.162
133 H ALA 20 H ALA 20 37.416 2.812 4.473
134 HA ALA 20 HA ALA 20 38.965 5.213 3.883
135 HB1 ALA 20 HB1 ALA 20 40.853 3.663 3.571
136 HB2 ALA 20 HB2 ALA 20 39.753 2.291 3.839
137 HB3 ALA 20 HB3 ALA 20 40.065 3.451 5.152
138 H SER 21 H SER 21 36.782 4.897 2.172
139 HA SER 21 HA SER 21 37.860 3.789 -0.311
140 HB2 SER 21 HB2 SER 21 35.612 3.087 0.187
141 HB3 SER 21 HB3 SER 21 35.095 4.770 0.440
142 HG SER 21 HG SER 21 34.673 3.675 -1.711
Start of MODEL 30
1 H1 ARG 1 H1 ARG 1 32.927 7.551 1.964
2 H2 ARG 1 H2 ARG 1 32.499 8.557 2.990
3 H3 ARG 1 H3 ARG 1 32.732 7.131 3.391
4 HA ARG 1 HA ARG 1 30.227 8.215 2.582
5 HB2 ARG 1 HB2 ARG 1 29.627 6.689 0.751
6 HB3 ARG 1 HB3 ARG 1 30.936 7.818 0.331
7 HG2 ARG 1 HG2 ARG 1 32.417 5.727 1.161
8 HG3 ARG 1 HG3 ARG 1 30.974 4.847 0.604
9 HD2 ARG 1 HD2 ARG 1 32.500 6.873 -1.065
10 HD3 ARG 1 HD3 ARG 1 32.748 5.114 -1.149
11 HE ARG 1 HE ARG 1 30.604 4.891 -2.111
12 HH11 ARG 1 HH11 ARG 1 31.469 8.246 -1.568
13 HH12 ARG 1 HH12 ARG 1 30.278 8.856 -2.700
14 HH21 ARG 1 HH21 ARG 1 29.067 5.682 -3.585
15 HH22 ARG 1 HH22 ARG 1 28.925 7.411 -3.836
16 HA PRO 2 HA PRO 2 29.393 5.104 5.709
17 HB2 PRO 2 HB2 PRO 2 26.547 5.921 5.288
18 HB3 PRO 2 HB3 PRO 2 27.499 5.928 6.779
19 HG2 PRO 2 HG2 PRO 2 26.880 8.221 5.491
20 HG3 PRO 2 HG3 PRO 2 28.412 8.034 6.353
21 HD2 PRO 2 HD2 PRO 2 27.884 7.953 3.376
22 HD3 PRO 2 HD3 PRO 2 29.284 8.594 4.246
23 HA PRO 3 HA PRO 3 28.289 1.429 3.553
24 HB2 PRO 3 HB2 PRO 3 26.362 0.694 5.700
25 HB3 PRO 3 HB3 PRO 3 27.815 -0.161 5.166
26 HG2 PRO 3 HG2 PRO 3 27.568 1.375 7.504
27 HG3 PRO 3 HG3 PRO 3 29.084 0.808 6.790
28 HD2 PRO 3 HD2 PRO 3 28.107 3.535 6.970
29 HD3 PRO 3 HD3 PRO 3 29.647 2.972 6.308
30 HA PRO 4 HA PRO 4 24.413 2.743 1.685
31 HB2 PRO 4 HB2 PRO 4 24.644 1.349 -0.637
32 HB3 PRO 4 HB3 PRO 4 25.625 2.787 -0.322
33 HG2 PRO 4 HG2 PRO 4 26.378 -0.135 -0.055
34 HG3 PRO 4 HG3 PRO 4 27.322 1.204 -0.722
35 HD2 PRO 4 HD2 PRO 4 27.677 0.229 1.855
36 HD3 PRO 4 HD3 PRO 4 28.077 1.887 1.390
37 H SER 5 H SER 5 22.395 1.794 1.074
38 HA SER 5 HA SER 5 21.743 -0.541 2.605
39 HB2 SER 5 HB2 SER 5 20.179 1.326 2.483
40 HB3 SER 5 HB3 SER 5 20.053 1.126 0.720
41 HG SER 5 HG SER 5 18.311 0.111 1.855
42 H ASP 6 H ASP 6 21.452 0.223 -0.879
43 HA ASP 6 HA ASP 6 20.568 -2.146 -1.874
44 HB2 ASP 6 HB2 ASP 6 22.693 -0.328 -3.143
45 HB3 ASP 6 HB3 ASP 6 21.878 -1.756 -3.828
46 H AIB 7 H AIB 7 21.341 -4.143 -2.356
47 HB11 AIB 7 HB11 AIB 7 24.373 -6.191 -0.357
48 HB12 AIB 7 HB12 AIB 7 24.265 -4.438 -0.067
49 HB13 AIB 7 HB13 AIB 7 22.884 -5.491 0.321
50 HB21 AIB 7 HB21 AIB 7 21.898 -6.791 -1.368
51 HB22 AIB 7 HB22 AIB 7 22.760 -6.958 -2.841
52 HB23 AIB 7 HB23 AIB 7 21.398 -5.921 -2.757
53 H ALA 8 H ALA 8 23.331 -4.332 -4.243
54 HA ALA 8 HA ALA 8 25.811 -5.390 -4.986
55 HB1 ALA 8 HB1 ALA 8 25.724 -3.833 -6.892
56 HB2 ALA 8 HB2 ALA 8 24.375 -2.976 -6.109
57 HB3 ALA 8 HB3 ALA 8 24.172 -4.665 -6.632
58 H ALA 9 H ALA 9 24.997 -2.088 -3.895
59 HA ALA 9 HA ALA 9 27.607 -1.071 -4.317
60 HB1 ALA 9 HB1 ALA 9 26.834 0.911 -3.084
61 HB2 ALA 9 HB2 ALA 9 25.367 0.026 -2.609
62 HB3 ALA 9 HB3 ALA 9 25.668 0.394 -4.324
63 H TYR 10 H TYR 10 26.029 -2.553 -1.543
64 HA TYR 10 HA TYR 10 27.840 -1.793 0.454
65 HB2 TYR 10 HB2 TYR 10 25.663 -2.796 0.913
66 HB3 TYR 10 HB3 TYR 10 26.229 -4.334 0.216
67 HD1 TYR 10 HD1 TYR 10 26.916 -1.921 2.987
68 HD2 TYR 10 HD2 TYR 10 27.317 -5.918 1.596
69 HE1 TYR 10 HE1 TYR 10 27.770 -2.596 5.192
70 HE2 TYR 10 HE2 TYR 10 28.177 -6.605 3.796
71 HH TYR 10 HH TYR 10 28.702 -5.962 5.850
72 H ALA 11 H ALA 11 28.037 -4.279 -2.011
73 HA ALA 11 HA ALA 11 30.192 -5.737 -0.845
74 HB1 ALA 11 HB1 ALA 11 30.389 -6.814 -3.049
75 HB2 ALA 11 HB2 ALA 11 29.235 -5.634 -3.713
76 HB3 ALA 11 HB3 ALA 11 28.708 -6.788 -2.465
77 H GLN 12 H GLN 12 30.043 -3.419 -3.568
78 HA GLN 12 HA GLN 12 32.811 -3.268 -4.016
79 HB2 GLN 12 HB2 GLN 12 30.745 -2.358 -5.353
80 HB3 GLN 12 HB3 GLN 12 31.064 -0.883 -4.411
81 HG2 GLN 12 HG2 GLN 12 32.501 -0.565 -6.532
82 HG3 GLN 12 HG3 GLN 12 33.323 -1.104 -5.049
83 HE21 GLN 12 HE22 GLN 12 35.019 -2.246 -5.825
84 HE22 GLN 12 HE21 GLN 12 34.889 -3.602 -6.896
85 H TRP 13 H TRP 13 30.699 -1.595 -1.765
86 HA TRP 13 HA TRP 13 32.380 0.461 -0.907
87 HB2 TRP 13 HB2 TRP 13 30.006 0.356 -0.268
88 HB3 TRP 13 HB3 TRP 13 30.306 -1.131 0.664
89 HD1 TRP 13 HD1 TRP 13 31.253 2.623 0.749
90 HE1 TRP 13 HE1 TRP 13 31.574 3.267 3.221
91 HE3 TRP 13 HE3 TRP 13 30.660 -1.982 2.871
92 HZ2 TRP 13 HZ2 TRP 13 31.571 1.992 5.741
93 HZ3 TRP 13 HZ3 TRP 13 30.835 -2.191 5.318
94 HH2 TRP 13 HH2 TRP 13 31.282 -0.243 6.721
95 H LEU 14 H LEU 14 32.030 -2.873 0.312
96 HA LEU 14 HA LEU 14 33.967 -2.719 2.352
97 HB2 LEU 14 HB2 LEU 14 32.973 -4.899 0.658
98 HB3 LEU 14 HB3 LEU 14 34.043 -5.308 2.018
99 HG LEU 14 HG LEU 14 31.273 -4.066 2.230
100 HD11 LEU 14 HD11 LEU 14 30.637 -6.195 3.260
101 HD12 LEU 14 HD12 LEU 14 31.203 -6.415 1.588
102 HD13 LEU 14 HD13 LEU 14 32.272 -6.825 2.950
103 HD21 LEU 14 HD21 LEU 14 31.531 -4.362 4.652
104 HD22 LEU 14 HD22 LEU 14 33.198 -4.937 4.402
105 HD23 LEU 14 HD23 LEU 14 32.766 -3.258 4.000
106 H ALA 15 H ALA 15 34.186 -3.644 -1.056
107 HA ALA 15 HA ALA 15 36.809 -4.576 -1.116
108 HB1 ALA 15 HB1 ALA 15 36.735 -4.126 -3.536
109 HB2 ALA 15 HB2 ALA 15 35.242 -3.189 -3.298
110 HB3 ALA 15 HB3 ALA 15 35.262 -4.934 -2.949
111 H ASP 16 H ASP 16 35.604 -1.255 -1.290
112 HA ASP 16 HA ASP 16 38.246 -0.216 -1.887
113 HB2 ASP 16 HB2 ASP 16 35.575 0.789 -2.264
114 HB3 ASP 16 HB3 ASP 16 36.443 1.730 -1.026
115 H DAL 17 H DAL 17 36.928 -1.327 0.914
116 HA DAL 17 HA DAL 17 38.624 0.456 2.515
117 HB1 DAL 17 HB1 DAL 17 38.628 -1.347 4.189
118 HB2 DAL 17 HB2 DAL 17 39.226 -1.891 2.605
119 HB3 DAL 17 HB3 DAL 17 37.578 -2.314 3.127
120 H GLY 18 H GLY 18 35.419 0.223 1.759
121 HA2 GLY 18 HA2 GLY 18 33.450 0.867 2.757
122 HA3 GLY 18 HA3 GLY 18 34.179 0.432 4.321
123 H TRP 19 H TRP 19 35.060 2.012 5.603
124 HA TRP 19 HA TRP 19 34.113 4.650 5.210
125 HB2 TRP 19 HB2 TRP 19 36.064 3.477 7.219
126 HB3 TRP 19 HB3 TRP 19 35.566 5.185 7.241
127 HD1 TRP 19 HD1 TRP 19 34.691 1.994 8.740
128 HE1 TRP 19 HE1 TRP 19 32.327 2.057 9.755
129 HE3 TRP 19 HE3 TRP 19 32.962 6.268 6.521
130 HZ2 TRP 19 HZ2 TRP 19 30.032 3.697 9.631
131 HZ3 TRP 19 HZ3 TRP 19 30.672 7.013 7.022
132 HH2 TRP 19 HH2 TRP 19 29.239 5.753 8.544
133 H ALA 20 H ALA 20 37.120 3.064 4.430
134 HA ALA 20 HA ALA 20 38.366 5.612 3.693
135 HB1 ALA 20 HB1 ALA 20 40.423 4.293 3.385
136 HB2 ALA 20 HB2 ALA 20 39.522 2.816 3.796
137 HB3 ALA 20 HB3 ALA 20 39.740 4.093 5.016
138 H SER 21 H SER 21 36.103 4.584 2.200
139 HA SER 21 HA SER 21 37.222 3.592 -0.296
140 HB2 SER 21 HB2 SER 21 34.367 4.124 0.567
141 HB3 SER 21 HB3 SER 21 34.835 3.479 -1.023
142 HG SER 21 HG SER 21 36.021 2.040 0.917
Start of MODEL 31
1 H1 ARG 1 H1 ARG 1 33.028 7.670 1.616
2 H2 ARG 1 H2 ARG 1 32.694 8.675 2.677
3 H3 ARG 1 H3 ARG 1 33.019 7.261 3.059
4 HA ARG 1 HA ARG 1 30.401 8.256 2.550
5 HB2 ARG 1 HB2 ARG 1 29.609 6.864 0.768
6 HB3 ARG 1 HB3 ARG 1 31.019 7.797 0.215
7 HG2 ARG 1 HG2 ARG 1 32.159 5.454 1.134
8 HG3 ARG 1 HG3 ARG 1 30.632 4.887 0.415
9 HD2 ARG 1 HD2 ARG 1 32.468 6.781 -1.060
10 HD3 ARG 1 HD3 ARG 1 32.719 5.020 -1.104
11 HE ARG 1 HE ARG 1 30.674 4.791 -2.263
12 HH11 ARG 1 HH11 ARG 1 31.500 8.149 -1.684
13 HH12 ARG 1 HH12 ARG 1 30.423 8.748 -2.931
14 HH21 ARG 1 HH21 ARG 1 29.279 5.567 -3.877
15 HH22 ARG 1 HH22 ARG 1 29.171 7.293 -4.166
16 HA PRO 2 HA PRO 2 29.739 4.972 5.467
17 HB2 PRO 2 HB2 PRO 2 27.095 5.350 5.963
18 HB3 PRO 2 HB3 PRO 2 28.302 6.535 6.481
19 HG2 PRO 2 HG2 PRO 2 26.450 6.613 4.096
20 HG3 PRO 2 HG3 PRO 2 26.957 7.930 5.162
21 HD2 PRO 2 HD2 PRO 2 28.070 7.410 2.632
22 HD3 PRO 2 HD3 PRO 2 28.861 8.366 3.892
23 HA PRO 3 HA PRO 3 28.401 1.243 3.487
24 HB2 PRO 3 HB2 PRO 3 26.625 0.688 5.831
25 HB3 PRO 3 HB3 PRO 3 27.932 -0.299 5.163
26 HG2 PRO 3 HG2 PRO 3 28.160 1.160 7.478
27 HG3 PRO 3 HG3 PRO 3 29.539 0.721 6.461
28 HD2 PRO 3 HD2 PRO 3 28.291 3.385 6.862
29 HD3 PRO 3 HD3 PRO 3 29.887 2.988 6.213
30 HA PRO 4 HA PRO 4 24.421 2.702 1.930
31 HB2 PRO 4 HB2 PRO 4 24.482 1.407 -0.461
32 HB3 PRO 4 HB3 PRO 4 25.473 2.841 -0.158
33 HG2 PRO 4 HG2 PRO 4 26.268 -0.079 -0.089
34 HG3 PRO 4 HG3 PRO 4 27.153 1.304 -0.747
35 HD2 PRO 4 HD2 PRO 4 27.684 0.196 1.751
36 HD3 PRO 4 HD3 PRO 4 28.055 1.875 1.340
37 H SER 5 H SER 5 22.359 1.845 1.723
38 HA SER 5 HA SER 5 21.806 -0.590 3.042
39 HB2 SER 5 HB2 SER 5 20.055 1.194 1.337
40 HB3 SER 5 HB3 SER 5 19.449 -0.205 2.253
41 HG SER 5 HG SER 5 19.246 1.780 3.426
42 H ASP 6 H ASP 6 21.530 0.301 -0.406
43 HA ASP 6 HA ASP 6 20.483 -2.026 -1.417
44 HB2 ASP 6 HB2 ASP 6 22.550 -0.186 -2.751
45 HB3 ASP 6 HB3 ASP 6 21.688 -1.586 -3.434
46 H AIB 7 H AIB 7 21.208 -4.014 -2.018
47 HB11 AIB 7 HB11 AIB 7 24.326 -6.151 -0.255
48 HB12 AIB 7 HB12 AIB 7 24.251 -4.408 0.094
49 HB13 AIB 7 HB13 AIB 7 22.883 -5.462 0.524
50 HB21 AIB 7 HB21 AIB 7 21.746 -6.663 -1.147
51 HB22 AIB 7 HB22 AIB 7 22.593 -6.860 -2.624
52 HB23 AIB 7 HB23 AIB 7 21.256 -5.791 -2.539
53 H ALA 8 H ALA 8 23.088 -4.117 -4.006
54 HA ALA 8 HA ALA 8 25.478 -5.226 -4.953
55 HB1 ALA 8 HB1 ALA 8 25.320 -3.589 -6.786
56 HB2 ALA 8 HB2 ALA 8 24.054 -2.723 -5.884
57 HB3 ALA 8 HB3 ALA 8 23.761 -4.382 -6.458
58 H ALA 9 H ALA 9 24.856 -1.907 -3.767
59 HA ALA 9 HA ALA 9 27.498 -1.020 -4.275
60 HB1 ALA 9 HB1 ALA 9 26.871 0.990 -3.006
61 HB2 ALA 9 HB2 ALA 9 25.377 0.178 -2.487
62 HB3 ALA 9 HB3 ALA 9 25.638 0.542 -4.209
63 H TYR 10 H TYR 10 25.959 -2.502 -1.496
64 HA TYR 10 HA TYR 10 27.785 -1.788 0.499
65 HB2 TYR 10 HB2 TYR 10 25.616 -2.800 0.957
66 HB3 TYR 10 HB3 TYR 10 26.166 -4.319 0.208
67 HD1 TYR 10 HD1 TYR 10 26.874 -2.000 3.048
68 HD2 TYR 10 HD2 TYR 10 27.263 -5.950 1.526
69 HE1 TYR 10 HE1 TYR 10 27.738 -2.748 5.227
70 HE2 TYR 10 HE2 TYR 10 28.134 -6.709 3.695
71 HH TYR 10 HH TYR 10 28.669 -6.135 5.770
72 H ALA 11 H ALA 11 27.966 -4.230 -2.011
73 HA ALA 11 HA ALA 11 30.119 -5.719 -0.883
74 HB1 ALA 11 HB1 ALA 11 30.296 -6.760 -3.108
75 HB2 ALA 11 HB2 ALA 11 29.146 -5.563 -3.745
76 HB3 ALA 11 HB3 ALA 11 28.619 -6.734 -2.513
77 H GLN 12 H GLN 12 29.965 -3.343 -3.556
78 HA GLN 12 HA GLN 12 32.733 -3.203 -4.018
79 HB2 GLN 12 HB2 GLN 12 30.659 -2.256 -5.325
80 HB3 GLN 12 HB3 GLN 12 31.003 -0.798 -4.366
81 HG2 GLN 12 HG2 GLN 12 32.457 -0.420 -6.439
82 HG3 GLN 12 HG3 GLN 12 33.282 -1.127 -5.030
83 HE21 GLN 12 HE22 GLN 12 34.818 -2.438 -5.808
84 HE22 GLN 12 HE21 GLN 12 34.584 -3.648 -7.026
85 H TRP 13 H TRP 13 30.640 -1.546 -1.732
86 HA TRP 13 HA TRP 13 32.344 0.482 -0.847
87 HB2 TRP 13 HB2 TRP 13 29.955 0.352 -0.208
88 HB3 TRP 13 HB3 TRP 13 30.286 -1.116 0.743
89 HD1 TRP 13 HD1 TRP 13 30.965 2.679 0.793
90 HE1 TRP 13 HE1 TRP 13 31.385 3.351 3.242
91 HE3 TRP 13 HE3 TRP 13 30.986 -1.960 2.915
92 HZ2 TRP 13 HZ2 TRP 13 31.686 2.083 5.746
93 HZ3 TRP 13 HZ3 TRP 13 31.351 -2.155 5.341
94 HH2 TRP 13 HH2 TRP 13 31.695 -0.170 6.726
95 H LEU 14 H LEU 14 32.000 -2.886 0.270
96 HA LEU 14 HA LEU 14 33.945 -2.794 2.313
97 HB2 LEU 14 HB2 LEU 14 32.950 -4.920 0.550
98 HB3 LEU 14 HB3 LEU 14 34.041 -5.371 1.881
99 HG LEU 14 HG LEU 14 31.278 -4.126 2.195
100 HD11 LEU 14 HD11 LEU 14 30.622 -6.303 3.106
101 HD12 LEU 14 HD12 LEU 14 31.157 -6.434 1.415
102 HD13 LEU 14 HD13 LEU 14 32.240 -6.942 2.733
103 HD21 LEU 14 HD21 LEU 14 31.572 -4.580 4.589
104 HD22 LEU 14 HD22 LEU 14 33.224 -5.167 4.273
105 HD23 LEU 14 HD23 LEU 14 32.815 -3.458 3.986
106 H ALA 15 H ALA 15 34.130 -3.708 -1.109
107 HA ALA 15 HA ALA 15 36.824 -4.473 -1.190
108 HB1 ALA 15 HB1 ALA 15 36.657 -4.134 -3.624
109 HB2 ALA 15 HB2 ALA 15 35.103 -3.304 -3.385
110 HB3 ALA 15 HB3 ALA 15 35.263 -5.027 -2.971
111 H ASP 16 H ASP 16 35.349 -1.314 -1.170
112 HA ASP 16 HA ASP 16 37.806 0.012 -1.999
113 HB2 ASP 16 HB2 ASP 16 34.954 0.964 -1.513
114 HB3 ASP 16 HB3 ASP 16 36.392 2.006 -1.383
115 H DAL 17 H DAL 17 37.359 -1.465 0.698
116 HA DAL 17 HA DAL 17 38.856 0.403 2.279
117 HB1 DAL 17 HB1 DAL 17 38.903 -1.390 3.965
118 HB2 DAL 17 HB2 DAL 17 39.395 -1.965 2.356
119 HB3 DAL 17 HB3 DAL 17 37.767 -2.333 2.972
120 H GLY 18 H GLY 18 35.508 -0.382 1.956
121 HA2 GLY 18 HA2 GLY 18 33.620 0.394 3.007
122 HA3 GLY 18 HA3 GLY 18 34.524 0.164 4.522
123 H TRP 19 H TRP 19 35.164 1.907 5.641
124 HA TRP 19 HA TRP 19 34.130 4.456 4.965
125 HB2 TRP 19 HB2 TRP 19 35.996 3.495 7.149
126 HB3 TRP 19 HB3 TRP 19 35.549 5.209 6.979
127 HD1 TRP 19 HD1 TRP 19 34.396 2.039 8.511
128 HE1 TRP 19 HE1 TRP 19 32.037 2.336 9.493
129 HE3 TRP 19 HE3 TRP 19 33.183 6.511 6.357
130 HZ2 TRP 19 HZ2 TRP 19 29.937 4.222 9.370
131 HZ3 TRP 19 HZ3 TRP 19 30.982 7.495 6.840
132 HH2 TRP 19 HH2 TRP 19 29.392 6.372 8.316
133 H ALA 20 H ALA 20 37.245 2.939 4.479
134 HA ALA 20 HA ALA 20 38.752 5.278 3.960
135 HB1 ALA 20 HB1 ALA 20 40.380 3.768 2.899
136 HB2 ALA 20 HB2 ALA 20 39.191 2.448 2.989
137 HB3 ALA 20 HB3 ALA 20 39.837 3.166 4.483
138 H SER 21 H SER 21 36.329 3.683 2.124
139 HA SER 21 HA SER 21 37.158 4.202 -0.499
140 HB2 SER 21 HB2 SER 21 35.217 2.753 0.194
141 HB3 SER 21 HB3 SER 21 34.294 4.247 0.476
142 HG SER 21 HG SER 21 34.589 4.764 -1.734
Start of MODEL 32
1 H1 ARG 1 H1 ARG 1 32.464 7.814 1.491
2 H2 ARG 1 H2 ARG 1 32.119 8.736 2.624
3 H3 ARG 1 H3 ARG 1 32.527 7.320 2.906
4 HA ARG 1 HA ARG 1 29.849 8.208 2.542
5 HB2 ARG 1 HB2 ARG 1 29.141 6.601 0.761
6 HB3 ARG 1 HB3 ARG 1 30.119 7.984 0.216
7 HG2 ARG 1 HG2 ARG 1 32.033 6.639 -0.130
8 HG3 ARG 1 HG3 ARG 1 31.359 5.293 0.821
9 HD2 ARG 1 HD2 ARG 1 29.806 4.730 -0.887
10 HD3 ARG 1 HD3 ARG 1 30.084 6.262 -1.749
11 HE ARG 1 HE ARG 1 31.658 3.855 -1.912
12 HH11 ARG 1 HH11 ARG 1 31.670 7.329 -2.357
13 HH12 ARG 1 HH12 ARG 1 32.997 7.298 -3.502
14 HH21 ARG 1 HH21 ARG 1 33.382 3.810 -3.401
15 HH22 ARG 1 HH22 ARG 1 33.962 5.313 -4.091
16 HA PRO 2 HA PRO 2 29.768 4.888 5.572
17 HB2 PRO 2 HB2 PRO 2 26.858 5.478 5.746
18 HB3 PRO 2 HB3 PRO 2 28.090 5.579 7.011
19 HG2 PRO 2 HG2 PRO 2 26.989 7.793 5.895
20 HG3 PRO 2 HG3 PRO 2 28.660 7.771 6.475
21 HD2 PRO 2 HD2 PRO 2 27.630 7.613 3.631
22 HD3 PRO 2 HD3 PRO 2 29.073 8.423 4.254
23 HA PRO 3 HA PRO 3 28.453 1.190 3.552
24 HB2 PRO 3 HB2 PRO 3 26.802 0.545 5.973
25 HB3 PRO 3 HB3 PRO 3 28.064 -0.419 5.194
26 HG2 PRO 3 HG2 PRO 3 28.443 0.979 7.528
27 HG3 PRO 3 HG3 PRO 3 29.752 0.572 6.410
28 HD2 PRO 3 HD2 PRO 3 28.559 3.219 6.984
29 HD3 PRO 3 HD3 PRO 3 30.080 2.838 6.167
30 HA PRO 4 HA PRO 4 24.382 2.595 2.194
31 HB2 PRO 4 HB2 PRO 4 24.437 1.446 -0.272
32 HB3 PRO 4 HB3 PRO 4 25.375 2.900 0.096
33 HG2 PRO 4 HG2 PRO 4 26.289 0.019 -0.039
34 HG3 PRO 4 HG3 PRO 4 27.107 1.479 -0.613
35 HD2 PRO 4 HD2 PRO 4 27.708 0.215 1.800
36 HD3 PRO 4 HD3 PRO 4 28.042 1.922 1.483
37 H SER 5 H SER 5 22.384 1.700 2.302
38 HA SER 5 HA SER 5 21.961 -0.795 3.454
39 HB2 SER 5 HB2 SER 5 20.067 0.957 1.870
40 HB3 SER 5 HB3 SER 5 19.557 -0.475 2.793
41 HG SER 5 HG SER 5 19.352 1.483 4.007
42 H ASP 6 H ASP 6 21.369 0.136 0.051
43 HA ASP 6 HA ASP 6 20.346 -2.216 -0.911
44 HB2 ASP 6 HB2 ASP 6 22.196 -0.262 -2.397
45 HB3 ASP 6 HB3 ASP 6 21.343 -1.694 -3.025
46 H AIB 7 H AIB 7 21.209 -4.042 -2.011
47 HB11 AIB 7 HB11 AIB 7 24.401 -6.170 -0.290
48 HB12 AIB 7 HB12 AIB 7 24.284 -4.440 0.112
49 HB13 AIB 7 HB13 AIB 7 22.964 -5.549 0.553
50 HB21 AIB 7 HB21 AIB 7 21.777 -6.712 -1.113
51 HB22 AIB 7 HB22 AIB 7 22.640 -6.895 -2.584
52 HB23 AIB 7 HB23 AIB 7 21.279 -5.855 -2.511
53 H ALA 8 H ALA 8 22.973 -4.027 -3.919
54 HA ALA 8 HA ALA 8 25.317 -5.117 -5.008
55 HB1 ALA 8 HB1 ALA 8 25.035 -3.477 -6.821
56 HB2 ALA 8 HB2 ALA 8 23.806 -2.636 -5.848
57 HB3 ALA 8 HB3 ALA 8 23.511 -4.299 -6.410
58 H ALA 9 H ALA 9 24.742 -1.774 -3.843
59 HA ALA 9 HA ALA 9 27.386 -0.928 -4.388
60 HB1 ALA 9 HB1 ALA 9 26.813 1.096 -3.117
61 HB2 ALA 9 HB2 ALA 9 25.310 0.312 -2.579
62 HB3 ALA 9 HB3 ALA 9 25.561 0.664 -4.305
63 H TYR 10 H TYR 10 25.912 -2.422 -1.578
64 HA TYR 10 HA TYR 10 27.774 -1.700 0.382
65 HB2 TYR 10 HB2 TYR 10 25.636 -2.754 0.886
66 HB3 TYR 10 HB3 TYR 10 26.192 -4.256 0.108
67 HD1 TYR 10 HD1 TYR 10 26.911 -1.962 2.969
68 HD2 TYR 10 HD2 TYR 10 27.361 -5.878 1.371
69 HE1 TYR 10 HE1 TYR 10 27.848 -2.725 5.110
70 HE2 TYR 10 HE2 TYR 10 28.304 -6.649 3.505
71 HH TYR 10 HH TYR 10 28.683 -4.431 6.256
72 H ALA 11 H ALA 11 27.912 -4.152 -2.132
73 HA ALA 11 HA ALA 11 30.144 -5.586 -1.112
74 HB1 ALA 11 HB1 ALA 11 30.289 -6.570 -3.363
75 HB2 ALA 11 HB2 ALA 11 29.091 -5.389 -3.942
76 HB3 ALA 11 HB3 ALA 11 28.628 -6.602 -2.726
77 H GLN 12 H GLN 12 29.856 -3.156 -3.727
78 HA GLN 12 HA GLN 12 32.602 -2.934 -4.268
79 HB2 GLN 12 HB2 GLN 12 30.479 -2.004 -5.491
80 HB3 GLN 12 HB3 GLN 12 30.795 -0.569 -4.489
81 HG2 GLN 12 HG2 GLN 12 32.123 -0.171 -6.694
82 HG3 GLN 12 HG3 GLN 12 32.994 -0.609 -5.205
83 HE21 GLN 12 HE22 GLN 12 34.800 -1.510 -6.107
84 HE22 GLN 12 HE21 GLN 12 34.778 -2.930 -7.099
85 H TRP 13 H TRP 13 30.548 -1.381 -1.875
86 HA TRP 13 HA TRP 13 32.228 0.654 -0.983
87 HB2 TRP 13 HB2 TRP 13 29.888 0.451 -0.227
88 HB3 TRP 13 HB3 TRP 13 30.284 -1.059 0.627
89 HD1 TRP 13 HD1 TRP 13 30.974 2.734 0.827
90 HE1 TRP 13 HE1 TRP 13 31.506 3.295 3.283
91 HE3 TRP 13 HE3 TRP 13 31.034 -1.995 2.742
92 HZ2 TRP 13 HZ2 TRP 13 31.893 1.912 5.715
93 HZ3 TRP 13 HZ3 TRP 13 31.499 -2.298 5.141
94 HH2 TRP 13 HH2 TRP 13 31.921 -0.382 6.594
95 H LEU 14 H LEU 14 32.042 -2.758 0.013
96 HA LEU 14 HA LEU 14 34.067 -2.683 1.977
97 HB2 LEU 14 HB2 LEU 14 33.045 -4.765 0.181
98 HB3 LEU 14 HB3 LEU 14 34.213 -5.238 1.436
99 HG LEU 14 HG LEU 14 31.434 -4.090 1.929
100 HD11 LEU 14 HD11 LEU 14 30.896 -6.315 2.802
101 HD12 LEU 14 HD12 LEU 14 31.351 -6.375 1.083
102 HD13 LEU 14 HD13 LEU 14 32.514 -6.886 2.330
103 HD21 LEU 14 HD21 LEU 14 31.868 -4.600 4.293
104 HD22 LEU 14 HD22 LEU 14 33.520 -5.118 3.876
105 HD23 LEU 14 HD23 LEU 14 33.039 -3.418 3.660
106 H ALA 15 H ALA 15 34.134 -3.355 -1.497
107 HA ALA 15 HA ALA 15 36.788 -4.157 -1.768
108 HB1 ALA 15 HB1 ALA 15 36.563 -3.524 -4.136
109 HB2 ALA 15 HB2 ALA 15 35.049 -2.675 -3.748
110 HB3 ALA 15 HB3 ALA 15 35.157 -4.439 -3.544
111 H ASP 16 H ASP 16 35.432 -0.921 -1.486
112 HA ASP 16 HA ASP 16 37.974 0.329 -2.154
113 HB2 ASP 16 HB2 ASP 16 35.289 1.189 -2.428
114 HB3 ASP 16 HB3 ASP 16 35.976 1.967 -0.980
115 H DAL 17 H DAL 17 37.406 -1.329 0.411
116 HA DAL 17 HA DAL 17 38.915 0.398 2.164
117 HB1 DAL 17 HB1 DAL 17 39.020 -1.560 3.650
118 HB2 DAL 17 HB2 DAL 17 39.533 -1.944 1.991
119 HB3 DAL 17 HB3 DAL 17 37.918 -2.430 2.558
120 H GLY 18 H GLY 18 35.604 -0.240 1.664
121 HA2 GLY 18 HA2 GLY 18 33.698 0.379 2.785
122 HA3 GLY 18 HA3 GLY 18 34.545 -0.140 4.261
123 H TRP 19 H TRP 19 35.182 1.360 5.689
124 HA TRP 19 HA TRP 19 34.227 4.012 5.455
125 HB2 TRP 19 HB2 TRP 19 36.071 2.677 7.464
126 HB3 TRP 19 HB3 TRP 19 35.563 4.377 7.603
127 HD1 TRP 19 HD1 TRP 19 34.567 0.992 8.626
128 HE1 TRP 19 HE1 TRP 19 32.174 1.003 9.573
129 HE3 TRP 19 HE3 TRP 19 33.085 5.619 7.033
130 HZ2 TRP 19 HZ2 TRP 19 29.951 2.744 9.637
131 HZ3 TRP 19 HZ3 TRP 19 30.811 6.381 7.578
132 HH2 TRP 19 HH2 TRP 19 29.277 4.972 8.853
133 H ALA 20 H ALA 20 37.317 2.533 4.742
134 HA ALA 20 HA ALA 20 38.620 5.123 4.413
135 HB1 ALA 20 HB1 ALA 20 40.648 3.807 3.941
136 HB2 ALA 20 HB2 ALA 20 39.689 2.314 4.061
137 HB3 ALA 20 HB3 ALA 20 39.900 3.352 5.490
138 H SER 21 H SER 21 36.455 4.762 2.685
139 HA SER 21 HA SER 21 37.593 4.035 0.093
140 HB2 SER 21 HB2 SER 21 35.430 3.074 0.530
141 HB3 SER 21 HB3 SER 21 34.762 4.662 0.968
142 HG SER 21 HG SER 21 34.362 3.809 -1.264