Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
564782 | 2m8f RC | 19250 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 1.818 -0.379 0.759
2 HA2 GLY 1 HA3 GLY 1 1.198 0.793 -1.884
3 HA3 GLY 1 HA2 GLY 1 2.685 1.109 -0.978
4 HA PRO 2 HA PRO 2 3.064 -2.213 -4.155
5 HB2 PRO 2 HB3 PRO 2 5.383 -1.524 -5.388
6 HB3 PRO 2 HB2 PRO 2 3.897 -0.530 -5.530
7 HG2 PRO 2 HG3 PRO 2 6.211 -0.134 -3.583
8 HG3 PRO 2 HG2 PRO 2 5.511 1.077 -4.706
9 HD2 PRO 2 HD3 PRO 2 4.718 0.938 -2.116
10 HD3 PRO 2 HD2 PRO 2 3.538 1.270 -3.426
11 H THR 3 H THR 3 5.355 -1.801 -1.596
12 HA THR 3 HA THR 3 7.263 -3.810 -2.337
13 HB THR 3 HB THR 3 8.290 -2.317 -0.957
14 HG1 THR 3 HG1 THR 3 8.900 -3.559 0.581
15 HG21 THR 3 HG21 THR 3 5.693 -2.154 0.560
16 HG22 THR 3 HG22 THR 3 6.478 -0.870 -0.409
17 HG23 THR 3 HG23 THR 3 7.161 -1.344 1.129
18 HA PRO 4 HA PRO 4 5.292 -7.447 -0.674
19 HB2 PRO 4 HB3 PRO 4 7.323 -9.227 -0.631
20 HB3 PRO 4 HB2 PRO 4 6.833 -8.435 -2.153
21 HG2 PRO 4 HG3 PRO 4 9.079 -7.565 -0.278
22 HG3 PRO 4 HG2 PRO 4 9.186 -7.907 -2.035
23 HD2 PRO 4 HD3 PRO 4 8.803 -5.383 -1.080
24 HD3 PRO 4 HD2 PRO 4 8.029 -5.943 -2.594
25 H MET 5 H MET 5 5.085 -5.913 1.448
26 HA MET 5 HA MET 5 5.953 -7.703 3.664
27 HB2 MET 5 HB3 MET 5 6.129 -4.681 3.764
28 HB3 MET 5 HB2 MET 5 6.346 -5.763 5.149
29 HG2 MET 5 HG3 MET 5 8.262 -6.823 3.924
30 HG3 MET 5 HG2 MET 5 8.069 -5.603 2.656
31 HE1 MET 5 HE1 MET 5 11.395 -4.482 4.263
32 HE2 MET 5 HE2 MET 5 10.838 -6.171 4.190
33 HE3 MET 5 HE3 MET 5 10.544 -5.078 2.821
34 H VAL 6 H VAL 6 4.323 -5.193 5.120
35 HA VAL 6 HA VAL 6 1.664 -5.641 4.203
36 HB VAL 6 HB VAL 6 1.976 -7.802 5.392
37 HG11 VAL 6 HG11 VAL 6 3.487 -7.007 7.216
38 HG12 VAL 6 HG12 VAL 6 2.089 -6.239 7.989
39 HG13 VAL 6 HG13 VAL 6 2.125 -7.998 7.766
40 HG21 VAL 6 HG21 VAL 6 -0.264 -6.789 5.143
41 HG22 VAL 6 HG22 VAL 6 -0.093 -7.850 6.552
42 HG23 VAL 6 HG23 VAL 6 -0.102 -6.091 6.775
43 H GLY 7 H GLY 7 0.266 -4.026 4.900
44 HA2 GLY 7 HA3 GLY 7 -0.744 -2.619 6.470
45 HA3 GLY 7 HA2 GLY 7 0.664 -2.747 7.528
46 H LEU 8 H LEU 8 -0.017 -0.380 7.657
47 HA LEU 8 HA LEU 8 0.528 1.803 7.513
48 HB2 LEU 8 HB3 LEU 8 2.836 0.719 7.083
49 HB3 LEU 8 HB2 LEU 8 2.624 1.211 5.422
50 HG LEU 8 HG LEU 8 4.019 2.781 6.460
51 HD11 LEU 8 HD11 LEU 8 2.967 4.913 6.306
52 HD12 LEU 8 HD12 LEU 8 1.359 4.247 6.637
53 HD13 LEU 8 HD13 LEU 8 2.174 3.894 5.110
54 HD21 LEU 8 HD21 LEU 8 3.527 2.184 8.792
55 HD22 LEU 8 HD22 LEU 8 2.011 3.114 8.717
56 HD23 LEU 8 HD23 LEU 8 3.575 3.937 8.554
57 H ASP 9 H ASP 9 0.598 0.449 4.314
58 HA ASP 9 HA ASP 9 0.037 2.484 2.570
59 HB2 ASP 9 HB2 ASP 9 0.831 -0.037 2.448
60 HB3 ASP 9 HB3 ASP 9 -0.860 -0.376 2.167
61 H SER 10 H SER 10 -2.021 2.719 4.662
62 HA SER 10 HA SER 10 -4.615 1.835 3.888
63 HB2 SER 10 HB3 SER 10 -3.938 2.668 6.163
64 HB3 SER 10 HB2 SER 10 -3.977 4.319 5.510
65 HG SER 10 HG SER 10 -6.182 3.685 4.785
66 H VAL 11 H VAL 11 -2.851 3.949 2.090
67 HA VAL 11 HA VAL 11 -5.182 5.542 1.109
68 HB VAL 11 HB VAL 11 -2.335 5.790 0.086
69 HG11 VAL 11 HG11 VAL 11 -4.012 6.906 -1.315
70 HG12 VAL 11 HG12 VAL 11 -4.760 7.651 0.115
71 HG13 VAL 11 HG13 VAL 11 -3.134 8.135 -0.414
72 HG21 VAL 11 HG21 VAL 11 -2.151 6.248 2.472
73 HG22 VAL 11 HG22 VAL 11 -2.133 7.778 1.616
74 HG23 VAL 11 HG23 VAL 11 -3.624 7.250 2.435
75 H SER 12 H SER 12 -3.479 2.604 0.399
76 HA SER 12 HA SER 12 -5.272 2.237 -1.951
77 HB2 SER 12 HB3 SER 12 -2.270 1.856 -1.961
78 HB3 SER 12 HB2 SER 12 -3.345 1.084 -3.142
79 HG SER 12 HG SER 12 -3.831 3.765 -2.676
80 H GLY 13 H GLY 13 -4.048 0.888 0.920
81 HA2 GLY 13 HA3 GLY 13 -5.075 -0.919 2.032
82 HA3 GLY 13 HA2 GLY 13 -5.906 -1.376 0.543
83 H GLN 14 H GLN 14 -2.441 -0.902 0.491
84 HA GLN 14 HA GLN 14 -2.135 -3.753 -0.241
85 HB2 GLN 14 HB3 GLN 14 -1.818 -1.241 -1.583
86 HB3 GLN 14 HB2 GLN 14 -0.242 -1.916 -1.459
87 HG2 GLN 14 HG3 GLN 14 -2.678 -3.406 -2.548
88 HG3 GLN 14 HG2 GLN 14 -1.668 -2.367 -3.543
89 HE21 GLN 14 HE21 GLN 14 1.016 -3.160 -2.593
90 HE22 GLN 14 HE22 GLN 14 1.122 -4.822 -3.167
91 H TYR 15 H TYR 15 0.860 -3.466 -0.478
92 HA TYR 15 HA TYR 15 1.039 -4.651 2.221
93 HB2 TYR 15 HB3 TYR 15 2.146 -5.486 -0.449
94 HB3 TYR 15 HB2 TYR 15 2.620 -6.257 1.049
95 HD1 TYR 15 HD2 TYR 15 0.804 -7.230 2.600
96 HD2 TYR 15 HD1 TYR 15 0.191 -6.274 -1.538
97 HE1 TYR 15 HE2 TYR 15 -1.247 -8.668 2.562
98 HE2 TYR 15 HE1 TYR 15 -1.863 -7.647 -1.582
99 HH TYR 15 HH TYR 15 -3.281 -8.870 -0.353
100 H TRP 16 H TRP 16 2.010 -1.923 1.753
101 HA TRP 16 HA TRP 16 3.269 -1.062 3.633
102 HB2 TRP 16 HB3 TRP 16 4.505 -3.077 4.109
103 HB3 TRP 16 HB2 TRP 16 5.547 -2.786 2.710
104 HD1 TRP 16 HD1 TRP 16 7.707 -1.682 3.167
105 HE1 TRP 16 HE1 TRP 16 8.845 -0.573 5.169
106 HE3 TRP 16 HE3 TRP 16 3.763 -1.631 6.396
107 HZ2 TRP 16 HZ2 TRP 16 8.115 0.322 7.825
108 HZ3 TRP 16 HZ3 TRP 16 4.032 -0.736 8.704
109 HH2 TRP 16 HH2 TRP 16 6.186 0.280 9.411
110 H ASP 17 H ASP 17 5.130 0.486 3.598
111 HA ASP 17 HA ASP 17 4.611 2.133 1.142
112 HB2 ASP 17 HB3 ASP 17 2.889 1.747 3.260
113 HB3 ASP 17 HB2 ASP 17 3.801 3.121 3.839
114 H GLN 18 H GLN 18 7.087 1.370 3.093
115 HA GLN 18 HA GLN 18 7.808 4.174 3.887
116 HB2 GLN 18 HB3 GLN 18 7.014 2.680 5.756
117 HB3 GLN 18 HB2 GLN 18 8.477 1.723 5.493
118 HG2 GLN 18 HG3 GLN 18 9.666 4.146 5.673
119 HG3 GLN 18 HG2 GLN 18 8.179 4.543 6.530
120 HE21 GLN 18 HE21 GLN 18 10.677 1.901 6.411
121 HE22 GLN 18 HE22 GLN 18 10.718 1.782 8.185
122 H HIS 19 H HIS 19 8.905 4.315 1.928
123 HA HIS 19 HA HIS 19 10.961 3.630 0.673
124 HB2 HIS 19 HB3 HIS 19 12.012 5.923 0.802
125 HB3 HIS 19 HB2 HIS 19 10.297 5.842 0.446
126 HD1 HIS 19 HD1 HIS 19 11.659 5.596 3.981
127 HD2 HIS 19 HD2 HIS 19 9.450 8.073 1.400
128 HE1 HIS 19 HE1 HIS 19 10.510 7.407 5.515
129 HE2 HIS 19 HE2 HIS 19 9.169 8.931 3.881
130 H ALA 20 H ALA 20 12.934 3.163 0.519
131 HA ALA 20 HA ALA 20 15.286 2.846 1.496
132 HB1 ALA 20 HB1 ALA 20 14.640 2.545 3.838
133 HB2 ALA 20 HB2 ALA 20 13.498 1.251 3.395
134 HB3 ALA 20 HB3 ALA 20 15.248 0.996 3.228
135 HA PRO 21 HA PRO 21 14.722 0.046 -1.805
136 HB2 PRO 21 HB3 PRO 21 17.113 -1.283 -2.069
137 HB3 PRO 21 HB2 PRO 21 16.924 0.477 -2.256
138 HG2 PRO 21 HG3 PRO 21 17.730 -1.033 0.259
139 HG3 PRO 21 HG2 PRO 21 18.615 0.306 -0.545
140 HD2 PRO 21 HD3 PRO 21 16.949 0.809 1.522
141 HD3 PRO 21 HD2 PRO 21 16.974 1.902 0.103
142 H LEU 22 H LEU 22 13.565 -1.143 0.556
143 HA LEU 22 HA LEU 22 12.912 -3.672 -0.739
144 HB2 LEU 22 HB3 LEU 22 13.410 -3.582 2.269
145 HB3 LEU 22 HB2 LEU 22 12.655 -4.919 1.410
146 HG LEU 22 HG LEU 22 15.537 -4.055 0.969
147 HD11 LEU 22 HD11 LEU 22 14.357 -6.376 2.545
148 HD12 LEU 22 HD12 LEU 22 15.126 -4.935 3.242
149 HD13 LEU 22 HD13 LEU 22 16.086 -6.062 2.266
150 HD21 LEU 22 HD21 LEU 22 14.480 -5.250 -0.972
151 HD22 LEU 22 HD22 LEU 22 14.001 -6.564 0.118
152 HD23 LEU 22 HD23 LEU 22 15.725 -6.227 -0.189
153 H ALA 23 H ALA 23 11.917 -0.773 0.148
154 HA ALA 23 HA ALA 23 9.261 -1.413 1.147
155 HB1 ALA 23 HB1 ALA 23 10.601 -1.619 3.168
156 HB2 ALA 23 HB2 ALA 23 11.355 -0.032 2.853
157 HB3 ALA 23 HB3 ALA 23 9.632 -0.135 3.246
158 H ASP 24 H ASP 24 11.454 0.827 -0.261
159 HA ASP 24 HA ASP 24 9.179 2.148 -1.563
160 HB2 ASP 24 HB3 ASP 24 12.013 1.707 -2.619
161 HB3 ASP 24 HB2 ASP 24 10.752 2.708 -3.316
Start of MODEL 2
1 H1 GLY 1 H GLY 1 2.032 0.686 0.199
2 HA2 GLY 1 HA3 GLY 1 1.484 2.372 -2.221
3 HA3 GLY 1 HA2 GLY 1 3.033 2.325 -1.377
4 HA PRO 2 HA PRO 2 2.696 -0.929 -4.718
5 HB2 PRO 2 HB3 PRO 2 4.045 0.034 -6.840
6 HB3 PRO 2 HB2 PRO 2 2.436 0.656 -6.367
7 HG2 PRO 2 HG3 PRO 2 5.139 1.853 -5.615
8 HG3 PRO 2 HG2 PRO 2 3.759 2.675 -6.415
9 HD2 PRO 2 HD3 PRO 2 4.126 2.766 -3.705
10 HD3 PRO 2 HD2 PRO 2 2.488 2.681 -4.424
11 H THR 3 H THR 3 4.105 -1.643 -2.714
12 HA THR 3 HA THR 3 6.734 -2.685 -3.673
13 HB THR 3 HB THR 3 5.937 -1.133 -1.224
14 HG1 THR 3 HG1 THR 3 7.397 0.111 -1.882
15 HG21 THR 3 HG21 THR 3 8.000 -1.562 -0.079
16 HG22 THR 3 HG22 THR 3 8.478 -2.797 -1.228
17 HG23 THR 3 HG23 THR 3 7.058 -3.046 -0.163
18 HA PRO 4 HA PRO 4 5.044 -6.507 -1.861
19 HB2 PRO 4 HB3 PRO 4 7.304 -7.956 -1.120
20 HB3 PRO 4 HB2 PRO 4 6.704 -7.726 -2.782
21 HG2 PRO 4 HG3 PRO 4 8.854 -6.177 -1.328
22 HG3 PRO 4 HG2 PRO 4 8.904 -6.858 -2.979
23 HD2 PRO 4 HD3 PRO 4 8.342 -4.260 -2.648
24 HD3 PRO 4 HD2 PRO 4 7.420 -5.223 -3.817
25 H MET 5 H MET 5 5.882 -4.305 0.470
26 HA MET 5 HA MET 5 5.847 -6.271 2.758
27 HB2 MET 5 HB3 MET 5 7.169 -3.615 2.353
28 HB3 MET 5 HB2 MET 5 6.454 -3.875 3.932
29 HG2 MET 5 HG3 MET 5 8.742 -4.480 4.037
30 HG3 MET 5 HG2 MET 5 7.751 -5.910 4.268
31 HE1 MET 5 HE1 MET 5 8.444 -4.781 0.329
32 HE2 MET 5 HE2 MET 5 9.340 -3.789 1.486
33 HE3 MET 5 HE3 MET 5 10.203 -4.966 0.458
34 H VAL 6 H VAL 6 4.670 -5.295 4.833
35 HA VAL 6 HA VAL 6 2.037 -4.273 3.823
36 HB VAL 6 HB VAL 6 2.081 -6.633 4.387
37 HG11 VAL 6 HG11 VAL 6 3.660 -6.646 6.281
38 HG12 VAL 6 HG12 VAL 6 2.497 -5.741 7.270
39 HG13 VAL 6 HG13 VAL 6 2.117 -7.383 6.718
40 HG21 VAL 6 HG21 VAL 6 0.282 -5.032 6.241
41 HG22 VAL 6 HG22 VAL 6 -0.007 -5.302 4.502
42 HG23 VAL 6 HG23 VAL 6 0.012 -6.670 5.625
43 H GLY 7 H GLY 7 0.880 -2.793 4.771
44 HA2 GLY 7 HA3 GLY 7 0.289 -1.163 6.459
45 HA3 GLY 7 HA2 GLY 7 1.891 -1.346 7.186
46 H LEU 8 H LEU 8 1.628 1.025 7.048
47 HA LEU 8 HA LEU 8 2.191 3.070 6.411
48 HB2 LEU 8 HB3 LEU 8 4.301 1.454 5.557
49 HB3 LEU 8 HB2 LEU 8 3.956 2.398 4.137
50 HG LEU 8 HG LEU 8 5.707 3.411 5.417
51 HD11 LEU 8 HD11 LEU 8 4.927 5.669 5.771
52 HD12 LEU 8 HD12 LEU 8 3.240 5.127 5.860
53 HD13 LEU 8 HD13 LEU 8 4.136 4.995 4.334
54 HD21 LEU 8 HD21 LEU 8 5.435 4.210 7.724
55 HD22 LEU 8 HD22 LEU 8 5.191 2.453 7.617
56 HD23 LEU 8 HD23 LEU 8 3.802 3.542 7.785
57 H ASP 9 H ASP 9 1.382 1.190 3.551
58 HA ASP 9 HA ASP 9 0.489 3.319 1.875
59 HB2 ASP 9 HB2 ASP 9 0.635 0.455 1.787
60 HB3 ASP 9 HB3 ASP 9 -1.048 0.869 1.546
61 H SER 10 H SER 10 -1.221 4.564 1.963
62 HA SER 10 HA SER 10 -2.169 5.143 4.448
63 HB2 SER 10 HB3 SER 10 -3.347 5.932 1.772
64 HB3 SER 10 HB2 SER 10 -3.855 6.667 3.308
65 HG SER 10 HG SER 10 -1.105 6.532 2.698
66 H VAL 11 H VAL 11 -3.751 2.844 2.524
67 HA VAL 11 HA VAL 11 -5.175 1.999 4.847
68 HB VAL 11 HB VAL 11 -6.917 2.316 2.354
69 HG11 VAL 11 HG11 VAL 11 -7.456 1.067 5.087
70 HG12 VAL 11 HG12 VAL 11 -8.700 1.374 3.854
71 HG13 VAL 11 HG13 VAL 11 -7.408 0.218 3.529
72 HG21 VAL 11 HG21 VAL 11 -6.842 4.458 3.527
73 HG22 VAL 11 HG22 VAL 11 -8.413 3.688 3.759
74 HG23 VAL 11 HG23 VAL 11 -7.209 3.658 5.070
75 H SER 12 H SER 12 -5.275 1.413 1.374
76 HA SER 12 HA SER 12 -3.470 -0.813 1.250
77 HB2 SER 12 HB3 SER 12 -6.444 -1.471 1.031
78 HB3 SER 12 HB2 SER 12 -5.125 -2.533 0.513
79 HG SER 12 HG SER 12 -4.925 -1.605 3.113
80 H GLY 13 H GLY 13 -2.779 0.865 -0.386
81 HA2 GLY 13 HA3 GLY 13 -4.396 0.922 -2.886
82 HA3 GLY 13 HA2 GLY 13 -2.865 1.769 -2.590
83 H GLN 14 H GLN 14 -1.283 -0.034 -1.587
84 HA GLN 14 HA GLN 14 -1.610 -2.779 -2.579
85 HB2 GLN 14 HB3 GLN 14 0.499 -0.904 -3.554
86 HB3 GLN 14 HB2 GLN 14 1.110 -2.468 -3.047
87 HG2 GLN 14 HG3 GLN 14 -1.126 -2.170 -5.070
88 HG3 GLN 14 HG2 GLN 14 0.584 -2.218 -5.483
89 HE21 GLN 14 HE21 GLN 14 1.754 -4.289 -4.067
90 HE22 GLN 14 HE22 GLN 14 0.773 -5.720 -4.433
91 H TYR 15 H TYR 15 1.316 -1.419 -1.297
92 HA TYR 15 HA TYR 15 1.368 -2.905 1.219
93 HB2 TYR 15 HB3 TYR 15 2.021 -3.968 -1.537
94 HB3 TYR 15 HB2 TYR 15 2.989 -4.518 -0.209
95 HD1 TYR 15 HD1 TYR 15 0.732 -4.805 1.906
96 HD2 TYR 15 HD2 TYR 15 1.178 -6.082 -2.172
97 HE1 TYR 15 HE1 TYR 15 -0.799 -6.702 2.340
98 HE2 TYR 15 HE2 TYR 15 -0.363 -8.001 -1.736
99 HH TYR 15 HH TYR 15 -1.850 -8.482 1.459
100 H TRP 16 H TRP 16 2.305 -0.917 1.897
101 HA TRP 16 HA TRP 16 4.063 0.071 2.874
102 HB2 TRP 16 HB3 TRP 16 4.999 -2.216 2.571
103 HB3 TRP 16 HB2 TRP 16 5.956 -1.580 1.256
104 HD1 TRP 16 HD1 TRP 16 8.301 -0.952 1.958
105 HE1 TRP 16 HE1 TRP 16 9.540 -0.635 4.181
106 HE3 TRP 16 HE3 TRP 16 4.360 -1.227 5.169
107 HZ2 TRP 16 HZ2 TRP 16 8.856 -0.052 6.929
108 HZ3 TRP 16 HZ3 TRP 16 4.668 -0.791 7.598
109 HH2 TRP 16 HH2 TRP 16 6.907 -0.160 8.482
110 H ASP 17 H ASP 17 3.283 2.007 1.816
111 HA ASP 17 HA ASP 17 4.739 3.418 -0.210
112 HB2 ASP 17 HB3 ASP 17 2.776 4.055 1.977
113 HB3 ASP 17 HB2 ASP 17 3.709 5.395 1.363
114 H GLN 18 H GLN 18 6.506 2.186 2.013
115 HA GLN 18 HA GLN 18 7.579 4.536 3.411
116 HB2 GLN 18 HB3 GLN 18 7.509 2.191 4.381
117 HB3 GLN 18 HB2 GLN 18 8.754 1.749 3.199
118 HG2 GLN 18 HG3 GLN 18 9.643 2.210 5.489
119 HG3 GLN 18 HG2 GLN 18 10.372 3.206 4.235
120 HE21 GLN 18 HE21 GLN 18 7.759 3.294 6.744
121 HE22 GLN 18 HE22 GLN 18 7.898 5.038 6.955
122 H HIS 19 H HIS 19 9.460 5.559 3.001
123 HA HIS 19 HA HIS 19 10.598 5.565 0.355
124 HB2 HIS 19 HB3 HIS 19 11.872 7.389 1.032
125 HB3 HIS 19 HB2 HIS 19 10.375 7.545 1.922
126 HD1 HIS 19 HD1 HIS 19 10.675 6.618 4.690
127 HD2 HIS 19 HD2 HIS 19 14.084 7.357 2.311
128 HE1 HIS 19 HE1 HIS 19 12.634 6.875 6.320
129 HE2 HIS 19 HE2 HIS 19 14.744 7.301 4.856
130 H ALA 20 H ALA 20 11.000 2.901 1.532
131 HA ALA 20 HA ALA 20 13.950 2.649 1.432
132 HB1 ALA 20 HB1 ALA 20 13.938 1.158 3.397
133 HB2 ALA 20 HB2 ALA 20 13.270 2.737 3.847
134 HB3 ALA 20 HB3 ALA 20 12.190 1.350 3.567
135 HA PRO 21 HA PRO 21 12.842 -0.507 -1.406
136 HB2 PRO 21 HB3 PRO 21 14.924 -2.299 -1.294
137 HB3 PRO 21 HB2 PRO 21 15.079 -0.647 -1.967
138 HG2 PRO 21 HG3 PRO 21 15.783 -1.588 0.839
139 HG3 PRO 21 HG2 PRO 21 16.788 -0.616 -0.285
140 HD2 PRO 21 HD3 PRO 21 15.324 0.552 1.670
141 HD3 PRO 21 HD2 PRO 21 15.456 1.316 0.055
142 H LEU 22 H LEU 22 13.553 -1.609 1.858
143 HA LEU 22 HA LEU 22 11.256 -3.282 1.920
144 HB2 LEU 22 HB3 LEU 22 12.343 -5.368 2.606
145 HB3 LEU 22 HB2 LEU 22 12.764 -4.911 0.979
146 HG LEU 22 HG LEU 22 14.860 -3.756 2.431
147 HD11 LEU 22 HD11 LEU 22 14.119 -4.896 4.518
148 HD12 LEU 22 HD12 LEU 22 15.685 -5.511 3.950
149 HD13 LEU 22 HD13 LEU 22 14.204 -6.452 3.684
150 HD21 LEU 22 HD21 LEU 22 15.088 -5.015 0.342
151 HD22 LEU 22 HD22 LEU 22 14.739 -6.528 1.203
152 HD23 LEU 22 HD23 LEU 22 16.217 -5.620 1.570
153 H ALA 23 H ALA 23 11.241 -4.362 4.259
154 HA ALA 23 HA ALA 23 12.612 -2.823 6.314
155 HB1 ALA 23 HB1 ALA 23 9.592 -2.568 6.031
156 HB2 ALA 23 HB2 ALA 23 10.579 -1.912 7.352
157 HB3 ALA 23 HB3 ALA 23 10.781 -1.270 5.714
158 H ASP 24 H ASP 24 11.525 -5.754 5.290
159 HA ASP 24 HA ASP 24 11.424 -7.073 7.825
160 HB2 ASP 24 HB3 ASP 24 9.008 -6.414 6.993
161 HB3 ASP 24 HB2 ASP 24 9.287 -7.577 5.713
Start of MODEL 3
1 H1 GLY 1 H GLY 1 2.070 0.782 0.262
2 HA2 GLY 1 HA3 GLY 1 1.279 2.178 -2.261
3 HA3 GLY 1 HA2 GLY 1 2.788 2.550 -1.435
4 HA PRO 2 HA PRO 2 3.233 -0.957 -4.495
5 HB2 PRO 2 HB3 PRO 2 4.850 0.068 -6.419
6 HB3 PRO 2 HB2 PRO 2 3.100 0.423 -6.312
7 HG2 PRO 2 HG3 PRO 2 5.392 2.114 -5.242
8 HG3 PRO 2 HG2 PRO 2 4.028 2.643 -6.282
9 HD2 PRO 2 HD3 PRO 2 4.010 2.943 -3.564
10 HD3 PRO 2 HD2 PRO 2 2.509 2.561 -4.465
11 H THR 3 H THR 3 4.355 -2.012 -2.671
12 HA THR 3 HA THR 3 7.088 -2.779 -3.427
13 HB THR 3 HB THR 3 6.326 -1.279 -0.940
14 HG1 THR 3 HG1 THR 3 7.391 -0.452 -2.836
15 HG21 THR 3 HG21 THR 3 8.341 -1.745 0.227
16 HG22 THR 3 HG22 THR 3 8.918 -2.855 -0.966
17 HG23 THR 3 HG23 THR 3 7.501 -3.283 0.048
18 HA PRO 4 HA PRO 4 5.327 -6.646 -1.869
19 HB2 PRO 4 HB3 PRO 4 7.419 -7.992 -0.619
20 HB3 PRO 4 HB2 PRO 4 7.204 -7.808 -2.381
21 HG2 PRO 4 HG3 PRO 4 8.865 -6.048 -0.537
22 HG3 PRO 4 HG2 PRO 4 9.382 -6.864 -2.055
23 HD2 PRO 4 HD3 PRO 4 8.629 -4.344 -2.257
24 HD3 PRO 4 HD2 PRO 4 7.902 -5.502 -3.368
25 H MET 5 H MET 5 5.985 -4.409 0.649
26 HA MET 5 HA MET 5 5.526 -6.483 2.753
27 HB2 MET 5 HB3 MET 5 7.621 -4.663 2.532
28 HB3 MET 5 HB2 MET 5 6.574 -3.897 3.715
29 HG2 MET 5 HG3 MET 5 8.156 -5.356 4.855
30 HG3 MET 5 HG2 MET 5 6.537 -6.035 5.011
31 HE1 MET 5 HE1 MET 5 10.101 -7.809 2.670
32 HE2 MET 5 HE2 MET 5 9.472 -6.212 2.214
33 HE3 MET 5 HE3 MET 5 10.139 -6.481 3.842
34 H VAL 6 H VAL 6 4.625 -5.138 5.000
35 HA VAL 6 HA VAL 6 1.955 -4.215 3.980
36 HB VAL 6 HB VAL 6 1.978 -6.562 4.575
37 HG11 VAL 6 HG11 VAL 6 2.019 -7.297 6.902
38 HG12 VAL 6 HG12 VAL 6 3.568 -6.570 6.456
39 HG13 VAL 6 HG13 VAL 6 2.418 -5.653 7.452
40 HG21 VAL 6 HG21 VAL 6 -0.100 -6.527 5.812
41 HG22 VAL 6 HG22 VAL 6 0.208 -4.879 6.386
42 HG23 VAL 6 HG23 VAL 6 -0.070 -5.192 4.655
43 H GLY 7 H GLY 7 0.939 -2.607 4.802
44 HA2 GLY 7 HA3 GLY 7 0.287 -1.064 6.558
45 HA3 GLY 7 HA2 GLY 7 1.884 -1.257 7.305
46 H LEU 8 H LEU 8 1.502 1.144 7.188
47 HA LEU 8 HA LEU 8 2.023 3.224 6.565
48 HB2 LEU 8 HB3 LEU 8 4.151 1.672 5.580
49 HB3 LEU 8 HB2 LEU 8 3.699 2.659 4.221
50 HG LEU 8 HG LEU 8 5.483 3.675 5.428
51 HD11 LEU 8 HD11 LEU 8 3.817 5.225 4.447
52 HD12 LEU 8 HD12 LEU 8 4.651 5.907 5.855
53 HD13 LEU 8 HD13 LEU 8 2.986 5.307 6.011
54 HD21 LEU 8 HD21 LEU 8 5.016 2.637 7.645
55 HD22 LEU 8 HD22 LEU 8 3.721 3.831 7.902
56 HD23 LEU 8 HD23 LEU 8 5.401 4.368 7.733
57 H ASP 9 H ASP 9 1.316 1.322 3.685
58 HA ASP 9 HA ASP 9 0.394 3.361 1.963
59 HB2 ASP 9 HB2 ASP 9 0.775 0.579 1.904
60 HB3 ASP 9 HB3 ASP 9 -0.950 0.758 1.682
61 H SER 10 H SER 10 -1.221 4.630 1.998
62 HA SER 10 HA SER 10 -2.291 5.145 4.422
63 HB2 SER 10 HB3 SER 10 -3.213 6.222 1.746
64 HB3 SER 10 HB2 SER 10 -3.745 6.893 3.296
65 HG SER 10 HG SER 10 -0.984 6.590 2.718
66 H VAL 11 H VAL 11 -3.833 2.961 2.485
67 HA VAL 11 HA VAL 11 -5.500 2.314 4.699
68 HB VAL 11 HB VAL 11 -7.016 2.493 2.050
69 HG11 VAL 11 HG11 VAL 11 -7.602 0.441 3.310
70 HG12 VAL 11 HG12 VAL 11 -7.877 1.411 4.771
71 HG13 VAL 11 HG13 VAL 11 -8.933 1.596 3.351
72 HG21 VAL 11 HG21 VAL 11 -6.994 4.682 3.141
73 HG22 VAL 11 HG22 VAL 11 -8.600 3.952 3.303
74 HG23 VAL 11 HG23 VAL 11 -7.479 3.950 4.683
75 H SER 12 H SER 12 -5.218 1.523 1.311
76 HA SER 12 HA SER 12 -3.309 -0.536 1.356
77 HB2 SER 12 HB3 SER 12 -6.180 -1.563 1.280
78 HB3 SER 12 HB2 SER 12 -4.807 -2.452 0.593
79 HG SER 12 HG SER 12 -4.778 -1.518 3.264
80 H GLY 13 H GLY 13 -2.640 0.891 -0.380
81 HA2 GLY 13 HA3 GLY 13 -4.307 0.947 -2.844
82 HA3 GLY 13 HA2 GLY 13 -2.798 1.814 -2.547
83 H GLN 14 H GLN 14 -1.171 -0.072 -1.596
84 HA GLN 14 HA GLN 14 -1.505 -2.694 -2.832
85 HB2 GLN 14 HB3 GLN 14 0.560 -0.803 -3.805
86 HB3 GLN 14 HB2 GLN 14 1.252 -2.339 -3.309
87 HG2 GLN 14 HG3 GLN 14 -1.033 -2.058 -5.286
88 HG3 GLN 14 HG2 GLN 14 0.670 -2.280 -5.691
89 HE21 GLN 14 HE21 GLN 14 1.551 -4.353 -3.928
90 HE22 GLN 14 HE22 GLN 14 0.481 -5.716 -4.304
91 H TYR 15 H TYR 15 1.568 -1.704 -1.499
92 HA TYR 15 HA TYR 15 1.325 -3.089 1.059
93 HB2 TYR 15 HB3 TYR 15 2.280 -4.258 -1.565
94 HB3 TYR 15 HB2 TYR 15 3.078 -4.778 -0.118
95 HD1 TYR 15 HD1 TYR 15 0.662 -4.948 1.780
96 HD2 TYR 15 HD2 TYR 15 1.376 -6.303 -2.237
97 HE1 TYR 15 HE1 TYR 15 -1.053 -6.696 2.082
98 HE2 TYR 15 HE2 TYR 15 -0.370 -8.080 -1.942
99 HH TYR 15 HH TYR 15 -2.165 -8.408 1.113
100 H TRP 16 H TRP 16 2.276 -1.238 1.907
101 HA TRP 16 HA TRP 16 4.000 -0.135 2.886
102 HB2 TRP 16 HB3 TRP 16 5.221 -2.328 2.483
103 HB3 TRP 16 HB2 TRP 16 6.052 -1.503 1.194
104 HD1 TRP 16 HD1 TRP 16 8.294 -0.548 1.896
105 HE1 TRP 16 HE1 TRP 16 9.554 -0.426 4.086
106 HE3 TRP 16 HE3 TRP 16 4.390 -1.274 5.099
107 HZ2 TRP 16 HZ2 TRP 16 8.887 -0.255 6.936
108 HZ3 TRP 16 HZ3 TRP 16 4.706 -1.065 7.554
109 HH2 TRP 16 HH2 TRP 16 6.949 -0.533 8.483
110 H ASP 17 H ASP 17 3.897 1.895 2.548
111 HA ASP 17 HA ASP 17 4.482 3.151 -0.086
112 HB2 ASP 17 HB3 ASP 17 2.493 3.454 1.913
113 HB3 ASP 17 HB2 ASP 17 3.408 4.923 2.000
114 H GLN 18 H GLN 18 6.547 2.329 2.110
115 HA GLN 18 HA GLN 18 7.352 4.929 3.184
116 HB2 GLN 18 HB3 GLN 18 7.516 2.409 4.212
117 HB3 GLN 18 HB2 GLN 18 9.143 2.564 3.534
118 HG2 GLN 18 HG3 GLN 18 8.985 4.965 4.805
119 HG3 GLN 18 HG2 GLN 18 7.804 4.090 5.774
120 HE21 GLN 18 HE21 GLN 18 8.680 1.868 6.707
121 HE22 GLN 18 HE22 GLN 18 10.404 1.898 7.083
122 H HIS 19 H HIS 19 9.366 5.887 2.967
123 HA HIS 19 HA HIS 19 10.676 6.104 0.503
124 HB2 HIS 19 HB3 HIS 19 12.123 7.590 1.548
125 HB3 HIS 19 HB2 HIS 19 10.645 7.723 2.482
126 HD1 HIS 19 HD1 HIS 19 11.494 4.980 4.424
127 HD2 HIS 19 HD2 HIS 19 13.770 8.396 3.362
128 HE1 HIS 19 HE1 HIS 19 13.282 5.158 6.139
129 HE2 HIS 19 HE2 HIS 19 14.715 7.245 5.544
130 H ALA 20 H ALA 20 10.821 3.195 1.401
131 HA ALA 20 HA ALA 20 13.663 2.692 0.930
132 HB1 ALA 20 HB1 ALA 20 13.467 2.776 3.421
133 HB2 ALA 20 HB2 ALA 20 12.187 1.538 3.346
134 HB3 ALA 20 HB3 ALA 20 13.840 1.140 2.849
135 HA PRO 21 HA PRO 21 11.732 -0.237 -1.699
136 HB2 PRO 21 HB3 PRO 21 13.733 -2.024 -2.254
137 HB3 PRO 21 HB2 PRO 21 13.813 -0.299 -2.721
138 HG2 PRO 21 HG3 PRO 21 15.014 -1.610 -0.251
139 HG3 PRO 21 HG2 PRO 21 15.831 -0.549 -1.448
140 HD2 PRO 21 HD3 PRO 21 14.841 0.430 0.878
141 HD3 PRO 21 HD2 PRO 21 14.722 1.371 -0.643
142 H LEU 22 H LEU 22 12.136 -1.135 1.423
143 HA LEU 22 HA LEU 22 10.387 -3.278 1.566
144 HB2 LEU 22 HB3 LEU 22 11.913 -5.127 2.258
145 HB3 LEU 22 HB2 LEU 22 11.929 -4.740 0.575
146 HG LEU 22 HG LEU 22 14.104 -3.562 0.817
147 HD11 LEU 22 HD11 LEU 22 14.126 -2.950 3.215
148 HD12 LEU 22 HD12 LEU 22 15.504 -3.982 2.816
149 HD13 LEU 22 HD13 LEU 22 14.116 -4.673 3.645
150 HD21 LEU 22 HD21 LEU 22 15.424 -5.630 1.096
151 HD22 LEU 22 HD22 LEU 22 13.964 -5.918 0.126
152 HD23 LEU 22 HD23 LEU 22 14.018 -6.424 1.826
153 H ALA 23 H ALA 23 11.630 -4.450 4.003
154 HA ALA 23 HA ALA 23 12.467 -2.252 5.665
155 HB1 ALA 23 HB1 ALA 23 10.059 -2.050 6.054
156 HB2 ALA 23 HB2 ALA 23 9.915 -3.782 6.391
157 HB3 ALA 23 HB3 ALA 23 10.836 -2.747 7.496
158 H ASP 24 H ASP 24 11.046 -5.380 6.402
159 HA ASP 24 HA ASP 24 13.339 -6.909 7.183
160 HB2 ASP 24 HB3 ASP 24 10.793 -7.907 5.880
161 HB3 ASP 24 HB2 ASP 24 11.759 -8.684 7.123
Start of MODEL 4
1 H1 GLY 1 H GLY 1 0.804 -0.841 0.910
2 HA2 GLY 1 HA3 GLY 1 0.488 0.793 -1.505
3 HA3 GLY 1 HA2 GLY 1 1.969 0.995 -0.551
4 HA PRO 2 HA PRO 2 2.600 -2.569 -3.432
5 HB2 PRO 2 HB3 PRO 2 4.022 -1.418 -5.355
6 HB3 PRO 2 HB2 PRO 2 2.418 -0.748 -4.962
7 HG2 PRO 2 HG3 PRO 2 5.119 0.262 -3.973
8 HG3 PRO 2 HG2 PRO 2 3.785 1.198 -4.711
9 HD2 PRO 2 HD3 PRO 2 4.166 0.815 -1.947
10 HD3 PRO 2 HD2 PRO 2 2.636 1.284 -2.742
11 H THR 3 H THR 3 4.079 -3.078 -1.093
12 HA THR 3 HA THR 3 6.874 -3.535 -2.108
13 HB THR 3 HB THR 3 7.840 -2.811 -0.165
14 HG1 THR 3 HG1 THR 3 5.302 -3.015 1.060
15 HG21 THR 3 HG21 THR 3 6.959 -0.639 0.477
16 HG22 THR 3 HG22 THR 3 5.472 -0.950 -0.409
17 HG23 THR 3 HG23 THR 3 7.004 -0.866 -1.293
18 HA PRO 4 HA PRO 4 6.355 -7.712 -0.566
19 HB2 PRO 4 HB3 PRO 4 8.771 -8.594 0.230
20 HB3 PRO 4 HB2 PRO 4 8.503 -8.007 -1.434
21 HG2 PRO 4 HG3 PRO 4 9.641 -6.461 0.913
22 HG3 PRO 4 HG2 PRO 4 10.327 -6.635 -0.735
23 HD2 PRO 4 HD3 PRO 4 8.788 -4.523 0.083
24 HD3 PRO 4 HD2 PRO 4 8.817 -5.080 -1.619
25 H MET 5 H MET 5 5.631 -5.612 1.430
26 HA MET 5 HA MET 5 5.977 -7.133 3.968
27 HB2 MET 5 HB3 MET 5 6.277 -4.126 3.679
28 HB3 MET 5 HB2 MET 5 6.306 -5.029 5.201
29 HG2 MET 5 HG3 MET 5 8.302 -6.286 4.312
30 HG3 MET 5 HG2 MET 5 8.272 -5.235 2.892
31 HE1 MET 5 HE1 MET 5 11.480 -3.942 4.605
32 HE2 MET 5 HE2 MET 5 10.897 -5.616 4.469
33 HE3 MET 5 HE3 MET 5 10.725 -4.498 3.094
34 H VAL 6 H VAL 6 4.233 -5.448 5.597
35 HA VAL 6 HA VAL 6 1.676 -5.494 4.136
36 HB VAL 6 HB VAL 6 2.110 -7.850 4.739
37 HG11 VAL 6 HG11 VAL 6 1.936 -8.644 7.026
38 HG12 VAL 6 HG12 VAL 6 3.320 -7.554 6.873
39 HG13 VAL 6 HG13 VAL 6 1.821 -6.983 7.639
40 HG21 VAL 6 HG21 VAL 6 -0.273 -6.732 6.240
41 HG22 VAL 6 HG22 VAL 6 -0.188 -6.979 4.478
42 HG23 VAL 6 HG23 VAL 6 -0.062 -8.363 5.575
43 H GLY 7 H GLY 7 0.011 -4.370 5.045
44 HA2 GLY 7 HA3 GLY 7 -1.154 -3.090 6.600
45 HA3 GLY 7 HA2 GLY 7 0.089 -3.410 7.818
46 H LEU 8 H LEU 8 -0.576 -1.027 8.075
47 HA LEU 8 HA LEU 8 -0.003 1.142 8.201
48 HB2 LEU 8 HB3 LEU 8 2.329 0.188 8.221
49 HB3 LEU 8 HB2 LEU 8 2.440 0.514 6.506
50 HG LEU 8 HG LEU 8 3.643 2.085 7.912
51 HD11 LEU 8 HD11 LEU 8 1.478 3.664 6.511
52 HD12 LEU 8 HD12 LEU 8 2.736 2.778 5.645
53 HD13 LEU 8 HD13 LEU 8 3.169 4.075 6.770
54 HD21 LEU 8 HD21 LEU 8 2.100 2.163 9.841
55 HD22 LEU 8 HD22 LEU 8 0.960 3.125 8.870
56 HD23 LEU 8 HD23 LEU 8 2.562 3.771 9.255
57 H ASP 9 H ASP 9 0.273 -0.112 4.943
58 HA ASP 9 HA ASP 9 0.771 1.832 3.385
59 HB2 ASP 9 HB2 ASP 9 0.200 -0.498 2.760
60 HB3 ASP 9 HB3 ASP 9 -1.480 -0.019 2.655
61 H SER 10 H SER 10 0.345 3.809 3.267
62 HA SER 10 HA SER 10 -1.929 5.246 4.077
63 HB2 SER 10 HB3 SER 10 0.432 6.049 3.908
64 HB3 SER 10 HB2 SER 10 0.260 6.099 2.148
65 HG SER 10 HG SER 10 -1.669 7.439 2.639
66 H VAL 11 H VAL 11 -2.007 3.340 1.371
67 HA VAL 11 HA VAL 11 -3.996 5.106 -0.022
68 HB VAL 11 HB VAL 11 -2.219 3.007 -1.308
69 HG11 VAL 11 HG11 VAL 11 -4.263 4.931 -2.504
70 HG12 VAL 11 HG12 VAL 11 -3.140 3.921 -3.437
71 HG13 VAL 11 HG13 VAL 11 -4.394 3.163 -2.449
72 HG21 VAL 11 HG21 VAL 11 -1.228 4.980 -2.504
73 HG22 VAL 11 HG22 VAL 11 -2.165 6.055 -1.443
74 HG23 VAL 11 HG23 VAL 11 -0.902 5.011 -0.775
75 H SER 12 H SER 12 -3.198 1.725 0.863
76 HA SER 12 HA SER 12 -6.145 1.163 0.960
77 HB2 SER 12 HB3 SER 12 -5.319 0.757 -1.326
78 HB3 SER 12 HB2 SER 12 -4.135 -0.383 -0.702
79 HG SER 12 HG SER 12 -6.104 -1.413 0.277
80 H GLY 13 H GLY 13 -3.617 0.989 2.964
81 HA2 GLY 13 HA3 GLY 13 -3.275 -0.208 4.910
82 HA3 GLY 13 HA2 GLY 13 -4.632 -1.267 4.522
83 H GLN 14 H GLN 14 -4.029 -2.480 2.375
84 HA GLN 14 HA GLN 14 -2.754 -4.165 1.311
85 HB2 GLN 14 HB3 GLN 14 -2.718 -1.378 0.666
86 HB3 GLN 14 HB2 GLN 14 -1.178 -1.974 0.185
87 HG2 GLN 14 HG3 GLN 14 -3.860 -3.105 -0.671
88 HG3 GLN 14 HG2 GLN 14 -2.758 -2.132 -1.653
89 HE21 GLN 14 HE21 GLN 14 -0.344 -3.193 -1.846
90 HE22 GLN 14 HE22 GLN 14 -0.460 -4.958 -1.956
91 H TYR 15 H TYR 15 -0.033 -3.368 0.260
92 HA TYR 15 HA TYR 15 1.493 -5.027 2.149
93 HB2 TYR 15 HB3 TYR 15 2.116 -4.401 -0.726
94 HB3 TYR 15 HB2 TYR 15 2.858 -5.608 0.312
95 HD1 TYR 15 HD1 TYR 15 -0.037 -6.580 1.410
96 HD2 TYR 15 HD2 TYR 15 1.889 -6.098 -2.418
97 HE1 TYR 15 HE1 TYR 15 -1.565 -8.265 0.433
98 HE2 TYR 15 HE2 TYR 15 0.341 -7.814 -3.403
99 HH TYR 15 HH TYR 15 -2.333 -9.140 -1.535
100 H TRP 16 H TRP 16 1.321 -2.420 3.044
101 HA TRP 16 HA TRP 16 2.555 -0.700 3.871
102 HB2 TRP 16 HB3 TRP 16 3.614 -2.582 4.849
103 HB3 TRP 16 HB2 TRP 16 4.551 -2.902 3.435
104 HD1 TRP 16 HD1 TRP 16 6.704 -1.442 2.959
105 HE1 TRP 16 HE1 TRP 16 8.455 -0.658 4.668
106 HE3 TRP 16 HE3 TRP 16 3.839 -1.574 7.182
107 HZ2 TRP 16 HZ2 TRP 16 8.586 -0.101 7.485
108 HZ3 TRP 16 HZ3 TRP 16 4.807 -0.931 9.388
109 HH2 TRP 16 HH2 TRP 16 7.176 -0.198 9.549
110 H ASP 17 H ASP 17 4.342 0.883 3.673
111 HA ASP 17 HA ASP 17 4.710 1.669 0.779
112 HB2 ASP 17 HB3 ASP 17 4.517 3.574 3.130
113 HB3 ASP 17 HB2 ASP 17 4.445 3.964 1.413
114 H GLN 18 H GLN 18 6.367 1.205 3.772
115 HA GLN 18 HA GLN 18 7.371 3.825 3.681
116 HB2 GLN 18 HB3 GLN 18 6.352 2.277 5.575
117 HB3 GLN 18 HB2 GLN 18 8.039 1.956 5.949
118 HG2 GLN 18 HG3 GLN 18 6.846 4.762 5.685
119 HG3 GLN 18 HG2 GLN 18 6.854 3.859 7.194
120 HE21 GLN 18 HE21 GLN 18 8.935 3.343 8.216
121 HE22 GLN 18 HE22 GLN 18 10.339 4.314 7.761
122 H HIS 19 H HIS 19 8.740 2.950 1.727
123 HA HIS 19 HA HIS 19 10.852 2.869 0.799
124 HB2 HIS 19 HB3 HIS 19 11.164 5.020 0.437
125 HB3 HIS 19 HB2 HIS 19 9.658 5.159 1.285
126 HD1 HIS 19 HD1 HIS 19 10.456 5.386 4.285
127 HD2 HIS 19 HD2 HIS 19 12.947 6.608 1.102
128 HE1 HIS 19 HE1 HIS 19 12.379 6.707 5.323
129 HE2 HIS 19 HE2 HIS 19 13.938 7.387 3.311
130 H ALA 20 H ALA 20 11.469 1.061 2.102
131 HA ALA 20 HA ALA 20 14.334 1.519 2.829
132 HB1 ALA 20 HB1 ALA 20 13.235 -0.182 4.280
133 HB2 ALA 20 HB2 ALA 20 12.657 -1.049 2.832
134 HB3 ALA 20 HB3 ALA 20 14.388 -0.973 3.199
135 HA PRO 21 HA PRO 21 14.944 0.651 -1.567
136 HB2 PRO 21 HB3 PRO 21 17.261 -0.750 -1.802
137 HB3 PRO 21 HB2 PRO 21 17.184 0.924 -1.191
138 HG2 PRO 21 HG3 PRO 21 17.212 -1.623 0.476
139 HG3 PRO 21 HG2 PRO 21 18.311 -0.210 0.601
140 HD2 PRO 21 HD3 PRO 21 16.148 -0.400 2.196
141 HD3 PRO 21 HD2 PRO 21 16.585 1.170 1.471
142 H LEU 22 H LEU 22 13.045 -0.831 -0.633
143 HA LEU 22 HA LEU 22 12.769 -3.014 -2.553
144 HB2 LEU 22 HB3 LEU 22 11.592 -3.298 0.251
145 HB3 LEU 22 HB2 LEU 22 11.523 -4.425 -1.087
146 HG LEU 22 HG LEU 22 14.182 -4.496 -0.792
147 HD11 LEU 22 HD11 LEU 22 14.295 -2.797 1.053
148 HD12 LEU 22 HD12 LEU 22 14.803 -4.385 1.610
149 HD13 LEU 22 HD13 LEU 22 13.180 -3.781 2.018
150 HD21 LEU 22 HD21 LEU 22 13.874 -6.406 0.742
151 HD22 LEU 22 HD22 LEU 22 12.667 -6.404 -0.544
152 HD23 LEU 22 HD23 LEU 22 12.215 -5.866 1.092
153 H ALA 23 H ALA 23 12.083 -0.073 -1.743
154 HA ALA 23 HA ALA 23 9.325 0.353 -2.479
155 HB1 ALA 23 HB1 ALA 23 9.198 -0.669 -0.170
156 HB2 ALA 23 HB2 ALA 23 10.273 0.596 0.423
157 HB3 ALA 23 HB3 ALA 23 8.669 1.031 -0.193
158 H ASP 24 H ASP 24 12.394 1.384 -2.772
159 HA ASP 24 HA ASP 24 12.139 4.222 -2.757
160 HB2 ASP 24 HB3 ASP 24 12.739 3.350 -0.276
161 HB3 ASP 24 HB2 ASP 24 14.309 3.058 -0.972
Start of MODEL 5
1 H1 GLY 1 H GLY 1 2.077 0.609 -0.012
2 HA2 GLY 1 HA3 GLY 1 1.287 2.199 -2.415
3 HA3 GLY 1 HA2 GLY 1 2.858 2.352 -1.623
4 HA PRO 2 HA PRO 2 2.876 -0.955 -4.923
5 HB2 PRO 2 HB3 PRO 2 4.368 0.101 -6.926
6 HB3 PRO 2 HB2 PRO 2 2.686 0.616 -6.608
7 HG2 PRO 2 HG3 PRO 2 5.227 1.981 -5.643
8 HG3 PRO 2 HG2 PRO 2 3.848 2.712 -6.532
9 HD2 PRO 2 HD3 PRO 2 4.015 2.809 -3.798
10 HD3 PRO 2 HD2 PRO 2 2.447 2.629 -4.643
11 H THR 3 H THR 3 4.145 -1.714 -2.830
12 HA THR 3 HA THR 3 6.740 -2.788 -3.757
13 HB THR 3 HB THR 3 6.469 -0.643 -1.889
14 HG1 THR 3 HG1 THR 3 8.652 -0.698 -2.074
15 HG21 THR 3 HG21 THR 3 6.445 -2.562 -0.109
16 HG22 THR 3 HG22 THR 3 7.526 -1.168 0.034
17 HG23 THR 3 HG23 THR 3 8.169 -2.692 -0.543
18 HA PRO 4 HA PRO 4 4.933 -6.307 -1.664
19 HB2 PRO 4 HB3 PRO 4 6.961 -7.951 -0.897
20 HB3 PRO 4 HB2 PRO 4 6.607 -7.523 -2.595
21 HG2 PRO 4 HG3 PRO 4 8.663 -6.288 -0.747
22 HG3 PRO 4 HG2 PRO 4 8.890 -6.864 -2.426
23 HD2 PRO 4 HD3 PRO 4 8.461 -4.235 -1.906
24 HD3 PRO 4 HD2 PRO 4 7.767 -5.023 -3.340
25 H MET 5 H MET 5 6.302 -4.253 0.744
26 HA MET 5 HA MET 5 5.889 -6.193 2.962
27 HB2 MET 5 HB3 MET 5 7.179 -3.484 2.708
28 HB3 MET 5 HB2 MET 5 6.508 -3.920 4.271
29 HG2 MET 5 HG3 MET 5 8.840 -4.498 4.214
30 HG3 MET 5 HG2 MET 5 7.857 -5.932 4.400
31 HE1 MET 5 HE1 MET 5 10.173 -4.773 0.557
32 HE2 MET 5 HE2 MET 5 8.446 -4.385 0.637
33 HE3 MET 5 HE3 MET 5 9.562 -3.653 1.804
34 H VAL 6 H VAL 6 4.571 -5.587 4.927
35 HA VAL 6 HA VAL 6 1.992 -4.494 3.935
36 HB VAL 6 HB VAL 6 2.024 -6.822 4.663
37 HG11 VAL 6 HG11 VAL 6 2.072 -7.432 7.021
38 HG12 VAL 6 HG12 VAL 6 3.605 -6.676 6.578
39 HG13 VAL 6 HG13 VAL 6 2.393 -5.757 7.490
40 HG21 VAL 6 HG21 VAL 6 0.225 -5.075 6.374
41 HG22 VAL 6 HG22 VAL 6 -0.052 -5.470 4.658
42 HG23 VAL 6 HG23 VAL 6 -0.058 -6.750 5.879
43 H GLY 7 H GLY 7 0.887 -2.860 4.794
44 HA2 GLY 7 HA3 GLY 7 0.283 -1.320 6.577
45 HA3 GLY 7 HA2 GLY 7 1.909 -1.473 7.245
46 H LEU 8 H LEU 8 1.423 0.963 7.085
47 HA LEU 8 HA LEU 8 2.008 3.010 6.445
48 HB2 LEU 8 HB3 LEU 8 4.153 1.428 5.703
49 HB3 LEU 8 HB2 LEU 8 3.812 2.259 4.205
50 HG LEU 8 HG LEU 8 5.513 3.364 5.417
51 HD11 LEU 8 HD11 LEU 8 4.011 4.825 4.145
52 HD12 LEU 8 HD12 LEU 8 4.777 5.635 5.522
53 HD13 LEU 8 HD13 LEU 8 3.081 5.138 5.623
54 HD21 LEU 8 HD21 LEU 8 3.602 3.736 7.741
55 HD22 LEU 8 HD22 LEU 8 5.256 4.374 7.617
56 HD23 LEU 8 HD23 LEU 8 4.985 2.619 7.683
57 H ASP 9 H ASP 9 1.291 1.073 3.602
58 HA ASP 9 HA ASP 9 0.598 3.183 1.829
59 HB2 ASP 9 HB2 ASP 9 0.895 0.426 1.685
60 HB3 ASP 9 HB3 ASP 9 -0.824 0.569 1.565
61 H SER 10 H SER 10 -0.995 4.514 1.923
62 HA SER 10 HA SER 10 -2.086 5.253 4.147
63 HB2 SER 10 HB3 SER 10 -2.018 6.504 2.016
64 HB3 SER 10 HB2 SER 10 -3.519 5.707 1.515
65 HG SER 10 HG SER 10 -3.897 7.753 2.465
66 H VAL 11 H VAL 11 -3.801 2.910 2.323
67 HA VAL 11 HA VAL 11 -5.279 2.112 4.666
68 HB VAL 11 HB VAL 11 -6.936 2.545 2.137
69 HG11 VAL 11 HG11 VAL 11 -8.819 1.670 3.493
70 HG12 VAL 11 HG12 VAL 11 -7.561 0.447 3.319
71 HG13 VAL 11 HG13 VAL 11 -7.703 1.349 4.842
72 HG21 VAL 11 HG21 VAL 11 -8.343 4.006 3.576
73 HG22 VAL 11 HG22 VAL 11 -7.149 3.833 4.888
74 HG23 VAL 11 HG23 VAL 11 -6.710 4.649 3.377
75 H SER 12 H SER 12 -5.270 1.548 1.184
76 HA SER 12 HA SER 12 -3.442 -0.595 1.058
77 HB2 SER 12 HB3 SER 12 -6.375 -1.419 1.068
78 HB3 SER 12 HB2 SER 12 -5.120 -2.369 0.263
79 HG SER 12 HG SER 12 -4.829 -1.596 2.954
80 H GLY 13 H GLY 13 -2.672 0.743 -0.650
81 HA2 GLY 13 HA3 GLY 13 -4.280 0.804 -3.175
82 HA3 GLY 13 HA2 GLY 13 -2.726 1.604 -2.872
83 H GLN 14 H GLN 14 -1.237 -0.220 -1.742
84 HA GLN 14 HA GLN 14 -1.530 -2.946 -2.749
85 HB2 GLN 14 HB3 GLN 14 0.574 -1.093 -3.755
86 HB3 GLN 14 HB2 GLN 14 1.192 -2.639 -3.204
87 HG2 GLN 14 HG3 GLN 14 -1.017 -2.391 -5.279
88 HG3 GLN 14 HG2 GLN 14 0.700 -2.413 -5.665
89 HE21 GLN 14 HE21 GLN 14 1.841 -4.451 -4.147
90 HE22 GLN 14 HE22 GLN 14 0.919 -5.912 -4.555
91 H TYR 15 H TYR 15 1.388 -1.505 -1.453
92 HA TYR 15 HA TYR 15 1.289 -2.712 1.217
93 HB2 TYR 15 HB3 TYR 15 2.323 -3.903 -1.334
94 HB3 TYR 15 HB2 TYR 15 3.186 -4.294 0.119
95 HD1 TYR 15 HD1 TYR 15 0.912 -4.741 2.053
96 HD2 TYR 15 HD2 TYR 15 1.440 -5.874 -2.055
97 HE1 TYR 15 HE1 TYR 15 -0.686 -6.628 2.371
98 HE2 TYR 15 HE2 TYR 15 -0.160 -7.764 -1.747
99 HH TYR 15 HH TYR 15 -1.781 -8.317 1.367
100 H TRP 16 H TRP 16 2.304 -0.982 2.177
101 HA TRP 16 HA TRP 16 3.902 0.373 2.953
102 HB2 TRP 16 HB3 TRP 16 4.793 -1.886 3.091
103 HB3 TRP 16 HB2 TRP 16 5.762 -1.599 1.678
104 HD1 TRP 16 HD1 TRP 16 8.045 -0.311 2.094
105 HE1 TRP 16 HE1 TRP 16 9.408 -0.011 4.246
106 HE3 TRP 16 HE3 TRP 16 4.390 -1.252 5.507
107 HZ2 TRP 16 HZ2 TRP 16 8.882 0.110 7.120
108 HZ3 TRP 16 HZ3 TRP 16 4.822 -1.052 7.938
109 HH2 TRP 16 HH2 TRP 16 7.052 -0.330 8.759
110 H ASP 17 H ASP 17 3.187 2.142 1.642
111 HA ASP 17 HA ASP 17 4.648 3.399 -0.450
112 HB2 ASP 17 HB3 ASP 17 2.814 4.250 1.791
113 HB3 ASP 17 HB2 ASP 17 3.703 5.506 0.958
114 H GLN 18 H GLN 18 6.320 2.375 2.090
115 HA GLN 18 HA GLN 18 7.365 4.885 3.200
116 HB2 GLN 18 HB3 GLN 18 7.058 2.348 4.207
117 HB3 GLN 18 HB2 GLN 18 8.748 2.304 3.746
118 HG2 GLN 18 HG3 GLN 18 8.186 4.757 5.255
119 HG3 GLN 18 HG2 GLN 18 7.601 3.343 6.127
120 HE21 GLN 18 HE21 GLN 18 9.079 2.180 7.322
121 HE22 GLN 18 HE22 GLN 18 10.819 2.328 7.093
122 H HIS 19 H HIS 19 9.416 5.673 3.010
123 HA HIS 19 HA HIS 19 10.756 5.487 0.539
124 HB2 HIS 19 HB3 HIS 19 12.161 7.195 1.303
125 HB3 HIS 19 HB2 HIS 19 10.619 7.478 2.082
126 HD1 HIS 19 HD1 HIS 19 11.559 5.098 4.461
127 HD2 HIS 19 HD2 HIS 19 13.426 8.656 3.149
128 HE1 HIS 19 HE1 HIS 19 13.096 5.817 6.348
129 HE2 HIS 19 HE2 HIS 19 14.258 8.000 5.566
130 H ALA 20 H ALA 20 10.993 2.777 1.785
131 HA ALA 20 HA ALA 20 13.943 2.487 1.640
132 HB1 ALA 20 HB1 ALA 20 13.355 2.608 4.040
133 HB2 ALA 20 HB2 ALA 20 12.195 1.277 3.822
134 HB3 ALA 20 HB3 ALA 20 13.930 0.987 3.597
135 HA PRO 21 HA PRO 21 12.734 -0.648 -1.159
136 HB2 PRO 21 HB3 PRO 21 14.947 -2.240 -1.350
137 HB3 PRO 21 HB2 PRO 21 14.918 -0.542 -1.909
138 HG2 PRO 21 HG3 PRO 21 15.943 -1.593 0.753
139 HG3 PRO 21 HG2 PRO 21 16.768 -0.484 -0.390
140 HD2 PRO 21 HD3 PRO 21 15.386 0.445 1.760
141 HD3 PRO 21 HD2 PRO 21 15.366 1.319 0.196
142 H LEU 22 H LEU 22 13.851 -1.771 1.980
143 HA LEU 22 HA LEU 22 11.606 -3.576 2.131
144 HB2 LEU 22 HB3 LEU 22 14.391 -4.560 2.902
145 HB3 LEU 22 HB2 LEU 22 12.879 -5.303 3.358
146 HG LEU 22 HG LEU 22 12.454 -5.360 0.714
147 HD11 LEU 22 HD11 LEU 22 15.487 -5.615 0.985
148 HD12 LEU 22 HD12 LEU 22 14.643 -4.307 0.132
149 HD13 LEU 22 HD13 LEU 22 14.524 -5.963 -0.470
150 HD21 LEU 22 HD21 LEU 22 12.413 -7.291 2.233
151 HD22 LEU 22 HD22 LEU 22 14.175 -7.362 2.231
152 HD23 LEU 22 HD23 LEU 22 13.261 -7.678 0.730
153 H ALA 23 H ALA 23 11.414 -4.241 4.520
154 HA ALA 23 HA ALA 23 12.583 -2.432 6.494
155 HB1 ALA 23 HB1 ALA 23 9.574 -2.476 6.009
156 HB2 ALA 23 HB2 ALA 23 10.402 -1.660 7.350
157 HB3 ALA 23 HB3 ALA 23 10.670 -1.103 5.680
158 H ASP 24 H ASP 24 11.718 -5.469 5.608
159 HA ASP 24 HA ASP 24 11.693 -6.742 8.154
160 HB2 ASP 24 HB3 ASP 24 9.242 -6.221 7.346
161 HB3 ASP 24 HB2 ASP 24 9.576 -7.339 6.039
Start of MODEL 6
1 H1 GLY 1 H GLY 1 1.169 -0.527 0.509
2 HA2 GLY 1 HA3 GLY 1 0.453 0.852 -2.003
3 HA3 GLY 1 HA2 GLY 1 2.088 1.000 -1.324
4 HA PRO 2 HA PRO 2 2.087 -2.844 -3.926
5 HB2 PRO 2 HB3 PRO 2 3.846 -2.183 -5.827
6 HB3 PRO 2 HB2 PRO 2 2.306 -1.271 -5.693
7 HG2 PRO 2 HG3 PRO 2 5.022 -0.496 -4.534
8 HG3 PRO 2 HG2 PRO 2 3.957 0.489 -5.585
9 HD2 PRO 2 HD3 PRO 2 3.919 0.625 -2.818
10 HD3 PRO 2 HD2 PRO 2 2.480 0.935 -3.833
11 H THR 3 H THR 3 4.446 -1.763 -1.788
12 HA THR 3 HA THR 3 6.846 -2.955 -2.782
13 HB THR 3 HB THR 3 7.869 -1.997 -0.901
14 HG1 THR 3 HG1 THR 3 5.328 -2.253 0.297
15 HG21 THR 3 HG21 THR 3 5.360 -0.289 -0.995
16 HG22 THR 3 HG22 THR 3 6.632 -0.228 -2.237
17 HG23 THR 3 HG23 THR 3 6.997 0.190 -0.559
18 HA PRO 4 HA PRO 4 6.670 -7.027 -1.176
19 HB2 PRO 4 HB3 PRO 4 9.159 -7.793 -0.442
20 HB3 PRO 4 HB2 PRO 4 8.813 -7.153 -2.071
21 HG2 PRO 4 HG3 PRO 4 9.840 -5.619 0.329
22 HG3 PRO 4 HG2 PRO 4 10.586 -5.703 -1.300
23 HD2 PRO 4 HD3 PRO 4 8.927 -3.683 -0.559
24 HD3 PRO 4 HD2 PRO 4 8.912 -4.311 -2.235
25 H MET 5 H MET 5 5.774 -5.203 0.943
26 HA MET 5 HA MET 5 6.102 -6.990 3.298
27 HB2 MET 5 HB3 MET 5 6.545 -3.995 3.464
28 HB3 MET 5 HB2 MET 5 6.362 -5.071 4.856
29 HG2 MET 5 HG3 MET 5 8.328 -6.385 3.950
30 HG3 MET 5 HG2 MET 5 8.570 -5.078 2.781
31 HE1 MET 5 HE1 MET 5 10.667 -6.288 5.010
32 HE2 MET 5 HE2 MET 5 11.042 -5.167 3.687
33 HE3 MET 5 HE3 MET 5 11.527 -4.763 5.347
34 H VAL 6 H VAL 6 4.442 -5.256 5.082
35 HA VAL 6 HA VAL 6 1.849 -5.191 3.704
36 HB VAL 6 HB VAL 6 2.159 -7.566 4.283
37 HG11 VAL 6 HG11 VAL 6 3.498 -7.353 6.346
38 HG12 VAL 6 HG12 VAL 6 2.106 -6.656 7.195
39 HG13 VAL 6 HG13 VAL 6 2.047 -8.330 6.604
40 HG21 VAL 6 HG21 VAL 6 0.002 -7.950 5.240
41 HG22 VAL 6 HG22 VAL 6 -0.069 -6.322 5.935
42 HG23 VAL 6 HG23 VAL 6 -0.109 -6.547 4.171
43 H GLY 7 H GLY 7 0.268 -3.987 4.726
44 HA2 GLY 7 HA3 GLY 7 -0.755 -2.691 6.368
45 HA3 GLY 7 HA2 GLY 7 0.584 -3.000 7.489
46 H LEU 8 H LEU 8 0.017 -0.582 7.699
47 HA LEU 8 HA LEU 8 0.656 1.577 7.641
48 HB2 LEU 8 HB3 LEU 8 2.995 0.411 7.168
49 HB3 LEU 8 HB2 LEU 8 2.805 1.137 5.591
50 HG LEU 8 HG LEU 8 4.158 2.591 6.816
51 HD11 LEU 8 HD11 LEU 8 3.010 4.689 7.042
52 HD12 LEU 8 HD12 LEU 8 1.440 3.894 7.193
53 HD13 LEU 8 HD13 LEU 8 2.316 3.841 5.656
54 HD21 LEU 8 HD21 LEU 8 3.740 1.640 9.040
55 HD22 LEU 8 HD22 LEU 8 2.180 2.493 9.123
56 HD23 LEU 8 HD23 LEU 8 3.698 3.414 9.067
57 H ASP 9 H ASP 9 0.860 0.306 4.364
58 HA ASP 9 HA ASP 9 0.889 2.211 2.672
59 HB2 ASP 9 HB2 ASP 9 0.437 -0.239 2.311
60 HB3 ASP 9 HB3 ASP 9 -1.269 0.179 2.267
61 H SER 10 H SER 10 0.230 4.239 2.824
62 HA SER 10 HA SER 10 -2.014 5.211 4.107
63 HB2 SER 10 HB3 SER 10 -0.422 6.520 1.864
64 HB3 SER 10 HB2 SER 10 -1.454 7.362 3.026
65 HG SER 10 HG SER 10 0.981 5.971 3.510
66 H VAL 11 H VAL 11 -2.296 3.628 1.206
67 HA VAL 11 HA VAL 11 -4.618 5.265 0.224
68 HB VAL 11 HB VAL 11 -2.768 3.419 -1.325
69 HG11 VAL 11 HG11 VAL 11 -4.969 3.449 -2.386
70 HG12 VAL 11 HG12 VAL 11 -5.034 5.221 -2.273
71 HG13 VAL 11 HG13 VAL 11 -3.854 4.427 -3.334
72 HG21 VAL 11 HG21 VAL 11 -1.983 5.523 -2.405
73 HG22 VAL 11 HG22 VAL 11 -2.994 6.465 -1.284
74 HG23 VAL 11 HG23 VAL 11 -1.622 5.512 -0.685
75 H SER 12 H SER 12 -3.622 1.985 1.156
76 HA SER 12 HA SER 12 -6.478 1.159 1.255
77 HB2 SER 12 HB3 SER 12 -4.513 -0.020 -0.730
78 HB3 SER 12 HB2 SER 12 -5.991 -0.862 -0.236
79 HG SER 12 HG SER 12 -6.337 1.783 -0.951
80 H GLY 13 H GLY 13 -3.725 1.119 2.986
81 HA2 GLY 13 HA3 GLY 13 -3.241 -0.077 4.907
82 HA3 GLY 13 HA2 GLY 13 -4.492 -1.266 4.527
83 H GLN 14 H GLN 14 -3.912 -2.325 2.327
84 HA GLN 14 HA GLN 14 -2.576 -3.897 1.198
85 HB2 GLN 14 HB3 GLN 14 -2.725 -1.086 0.560
86 HB3 GLN 14 HB2 GLN 14 -1.240 -1.677 -0.102
87 HG2 GLN 14 HG3 GLN 14 -4.009 -2.792 -0.601
88 HG3 GLN 14 HG2 GLN 14 -3.002 -1.894 -1.737
89 HE21 GLN 14 HE21 GLN 14 -0.588 -3.099 -2.033
90 HE22 GLN 14 HE22 GLN 14 -0.808 -4.851 -2.075
91 H TYR 15 H TYR 15 0.042 -2.931 -0.031
92 HA TYR 15 HA TYR 15 1.739 -4.480 1.825
93 HB2 TYR 15 HB3 TYR 15 2.069 -4.152 -1.149
94 HB3 TYR 15 HB2 TYR 15 2.931 -5.229 -0.077
95 HD1 TYR 15 HD2 TYR 15 0.323 -6.187 1.480
96 HD2 TYR 15 HD1 TYR 15 1.497 -5.903 -2.658
97 HE1 TYR 15 HE2 TYR 15 -1.315 -7.970 0.892
98 HE2 TYR 15 HE1 TYR 15 -0.135 -7.696 -3.241
99 HH TYR 15 HH TYR 15 -1.766 -9.064 -2.455
100 H TRP 16 H TRP 16 1.760 -2.181 2.834
101 HA TRP 16 HA TRP 16 3.165 -0.578 3.636
102 HB2 TRP 16 HB3 TRP 16 4.227 -2.694 4.013
103 HB3 TRP 16 HB2 TRP 16 5.074 -2.596 2.503
104 HD1 TRP 16 HD1 TRP 16 7.293 -1.363 2.427
105 HE1 TRP 16 HE1 TRP 16 8.999 -0.944 4.272
106 HE3 TRP 16 HE3 TRP 16 4.160 -1.510 6.450
107 HZ2 TRP 16 HZ2 TRP 16 9.043 -0.769 7.142
108 HZ3 TRP 16 HZ3 TRP 16 5.054 -1.185 8.752
109 HH2 TRP 16 HH2 TRP 16 7.488 -0.845 9.120
110 H ASP 17 H ASP 17 5.106 0.762 3.364
111 HA ASP 17 HA ASP 17 4.428 2.581 1.070
112 HB2 ASP 17 HB3 ASP 17 3.023 2.294 3.509
113 HB3 ASP 17 HB2 ASP 17 4.059 3.655 3.821
114 H GLN 18 H GLN 18 6.904 1.471 2.948
115 HA GLN 18 HA GLN 18 7.569 4.118 4.081
116 HB2 GLN 18 HB3 GLN 18 6.465 2.102 5.344
117 HB3 GLN 18 HB2 GLN 18 8.131 1.582 5.550
118 HG2 GLN 18 HG3 GLN 18 7.483 4.463 6.209
119 HG3 GLN 18 HG2 GLN 18 6.758 3.241 7.229
120 HE21 GLN 18 HE21 GLN 18 8.541 1.358 7.740
121 HE22 GLN 18 HE22 GLN 18 9.985 2.101 8.459
122 H HIS 19 H HIS 19 8.850 3.305 1.745
123 HA HIS 19 HA HIS 19 10.770 3.972 0.806
124 HB2 HIS 19 HB3 HIS 19 11.513 6.157 1.581
125 HB3 HIS 19 HB2 HIS 19 9.767 5.966 1.401
126 HD1 HIS 19 HD1 HIS 19 11.344 4.729 4.589
127 HD2 HIS 19 HD2 HIS 19 9.258 8.022 3.022
128 HE1 HIS 19 HE1 HIS 19 10.601 6.133 6.648
129 HE2 HIS 19 HE2 HIS 19 9.320 8.177 5.666
130 H ALA 20 H ALA 20 12.057 2.209 0.959
131 HA ALA 20 HA ALA 20 14.671 2.604 1.778
132 HB1 ALA 20 HB1 ALA 20 15.011 0.817 3.503
133 HB2 ALA 20 HB2 ALA 20 13.871 2.021 4.110
134 HB3 ALA 20 HB3 ALA 20 13.284 0.464 3.500
135 HA PRO 21 HA PRO 21 14.876 -0.232 -1.520
136 HB2 PRO 21 HB3 PRO 21 17.290 -1.567 -1.351
137 HB3 PRO 21 HB2 PRO 21 17.102 0.179 -1.677
138 HG2 PRO 21 HG3 PRO 21 17.617 -1.154 0.996
139 HG3 PRO 21 HG2 PRO 21 18.512 0.214 0.252
140 HD2 PRO 21 HD3 PRO 21 16.575 0.645 2.067
141 HD3 PRO 21 HD2 PRO 21 16.723 1.718 0.647
142 H LEU 22 H LEU 22 13.621 -1.449 0.918
143 HA LEU 22 HA LEU 22 12.976 -4.045 -0.239
144 HB2 LEU 22 HB3 LEU 22 13.714 -3.778 2.705
145 HB3 LEU 22 HB2 LEU 22 12.967 -5.197 1.983
146 HG LEU 22 HG LEU 22 15.736 -4.170 1.215
147 HD11 LEU 22 HD11 LEU 22 15.673 -4.922 3.546
148 HD12 LEU 22 HD12 LEU 22 16.578 -6.055 2.524
149 HD13 LEU 22 HD13 LEU 22 14.921 -6.457 3.043
150 HD21 LEU 22 HD21 LEU 22 14.684 -5.528 -0.563
151 HD22 LEU 22 HD22 LEU 22 14.278 -6.789 0.616
152 HD23 LEU 22 HD23 LEU 22 15.975 -6.435 0.220
153 H ALA 23 H ALA 23 11.878 -1.238 0.175
154 HA ALA 23 HA ALA 23 9.215 -1.668 1.306
155 HB1 ALA 23 HB1 ALA 23 9.706 0.206 2.956
156 HB2 ALA 23 HB2 ALA 23 10.660 -1.281 3.286
157 HB3 ALA 23 HB3 ALA 23 11.389 0.129 2.480
158 H ASP 24 H ASP 24 10.369 -0.979 -1.308
159 HA ASP 24 HA ASP 24 9.279 1.667 -1.927
160 HB2 ASP 24 HB3 ASP 24 11.813 0.450 -3.104
161 HB3 ASP 24 HB2 ASP 24 11.057 1.960 -3.589
Start of MODEL 7
1 H1 GLY 1 H GLY 1 1.056 1.953 0.277
2 HA2 GLY 1 HA3 GLY 1 -0.242 0.257 -1.502
3 HA3 GLY 1 HA2 GLY 1 0.693 1.701 -1.831
4 HA PRO 2 HA PRO 2 2.354 -1.548 -4.339
5 HB2 PRO 2 HB3 PRO 2 3.578 -0.174 -6.308
6 HB3 PRO 2 HB2 PRO 2 1.810 -0.139 -6.048
7 HG2 PRO 2 HG3 PRO 2 3.864 1.867 -5.069
8 HG3 PRO 2 HG2 PRO 2 2.344 2.194 -5.967
9 HD2 PRO 2 HD3 PRO 2 2.480 2.370 -3.239
10 HD3 PRO 2 HD2 PRO 2 1.019 1.765 -4.074
11 H THR 3 H THR 3 3.717 -2.500 -2.770
12 HA THR 3 HA THR 3 6.510 -2.793 -3.574
13 HB THR 3 HB THR 3 5.597 -1.550 -0.981
14 HG1 THR 3 HG1 THR 3 6.360 -0.429 -2.929
15 HG21 THR 3 HG21 THR 3 8.425 -2.543 -1.347
16 HG22 THR 3 HG22 THR 3 7.210 -3.256 -0.218
17 HG23 THR 3 HG23 THR 3 7.782 -1.611 -0.018
18 HA PRO 4 HA PRO 4 4.934 -6.711 -1.698
19 HB2 PRO 4 HB3 PRO 4 7.050 -8.324 -1.339
20 HB3 PRO 4 HB2 PRO 4 6.629 -7.679 -2.953
21 HG2 PRO 4 HG3 PRO 4 8.668 -6.563 -0.996
22 HG3 PRO 4 HG2 PRO 4 8.921 -7.001 -2.714
23 HD2 PRO 4 HD3 PRO 4 8.360 -4.470 -1.987
24 HD3 PRO 4 HD2 PRO 4 7.690 -5.149 -3.481
25 H MET 5 H MET 5 6.033 -4.563 0.489
26 HA MET 5 HA MET 5 6.522 -6.391 2.795
27 HB2 MET 5 HB3 MET 5 7.044 -3.532 2.193
28 HB3 MET 5 HB2 MET 5 6.371 -3.802 3.783
29 HG2 MET 5 HG3 MET 5 8.773 -3.742 3.868
30 HG3 MET 5 HG2 MET 5 8.131 -5.278 4.419
31 HE1 MET 5 HE1 MET 5 9.513 -3.452 1.262
32 HE2 MET 5 HE2 MET 5 10.404 -4.734 0.410
33 HE3 MET 5 HE3 MET 5 8.639 -4.727 0.382
34 H VAL 6 H VAL 6 5.186 -5.993 4.845
35 HA VAL 6 HA VAL 6 2.325 -5.645 4.034
36 HB VAL 6 HB VAL 6 2.939 -7.897 4.600
37 HG11 VAL 6 HG11 VAL 6 3.319 -8.642 6.872
38 HG12 VAL 6 HG12 VAL 6 4.606 -7.512 6.426
39 HG13 VAL 6 HG13 VAL 6 3.281 -6.981 7.488
40 HG21 VAL 6 HG21 VAL 6 0.965 -6.646 6.544
41 HG22 VAL 6 HG22 VAL 6 0.638 -7.079 4.845
42 HG23 VAL 6 HG23 VAL 6 1.021 -8.339 6.023
43 H GLY 7 H GLY 7 1.325 -3.906 4.618
44 HA2 GLY 7 HA3 GLY 7 0.291 -2.771 6.573
45 HA3 GLY 7 HA2 GLY 7 1.896 -2.674 7.296
46 H LEU 8 H LEU 8 1.557 -0.471 7.506
47 HA LEU 8 HA LEU 8 1.880 1.705 7.138
48 HB2 LEU 8 HB3 LEU 8 3.918 0.563 6.004
49 HB3 LEU 8 HB2 LEU 8 3.200 1.061 4.493
50 HG LEU 8 HG LEU 8 4.845 2.609 5.010
51 HD11 LEU 8 HD11 LEU 8 2.695 3.709 4.344
52 HD12 LEU 8 HD12 LEU 8 3.863 4.735 5.184
53 HD13 LEU 8 HD13 LEU 8 2.450 4.106 6.060
54 HD21 LEU 8 HD21 LEU 8 5.155 3.776 7.128
55 HD22 LEU 8 HD22 LEU 8 5.224 2.017 7.345
56 HD23 LEU 8 HD23 LEU 8 3.764 2.915 7.824
57 H ASP 9 H ASP 9 0.896 0.452 3.920
58 HA ASP 9 HA ASP 9 0.490 2.771 2.671
59 HB2 ASP 9 HB2 ASP 9 -1.490 0.475 2.400
60 HB3 ASP 9 HB3 ASP 9 -1.369 1.798 1.273
61 H SER 10 H SER 10 -2.230 1.322 4.381
62 HA SER 10 HA SER 10 -4.241 2.023 5.140
63 HB2 SER 10 HB3 SER 10 -2.982 4.731 5.544
64 HB3 SER 10 HB2 SER 10 -4.307 3.985 6.453
65 HG SER 10 HG SER 10 -1.596 3.108 6.361
66 H VAL 11 H VAL 11 -3.145 4.028 2.504
67 HA VAL 11 HA VAL 11 -6.012 4.412 1.671
68 HB VAL 11 HB VAL 11 -3.828 6.447 1.103
69 HG11 VAL 11 HG11 VAL 11 -5.754 7.898 0.549
70 HG12 VAL 11 HG12 VAL 11 -5.762 6.444 -0.455
71 HG13 VAL 11 HG13 VAL 11 -6.877 6.567 0.921
72 HG21 VAL 11 HG21 VAL 11 -4.133 6.522 3.505
73 HG22 VAL 11 HG22 VAL 11 -4.960 7.902 2.790
74 HG23 VAL 11 HG23 VAL 11 -5.904 6.490 3.331
75 H SER 12 H SER 12 -2.653 4.407 0.473
76 HA SER 12 HA SER 12 -3.143 3.699 -2.265
77 HB2 SER 12 HB3 SER 12 -1.095 4.657 -0.851
78 HB3 SER 12 HB2 SER 12 -0.740 2.942 -0.661
79 HG SER 12 HG SER 12 0.410 3.819 -2.264
80 H GLY 13 H GLY 13 -4.086 2.010 0.230
81 HA2 GLY 13 HA3 GLY 13 -3.317 -0.234 1.114
82 HA3 GLY 13 HA2 GLY 13 -4.923 -0.178 0.410
83 H GLN 14 H GLN 14 -1.617 -1.303 -0.021
84 HA GLN 14 HA GLN 14 -2.671 -3.572 -1.530
85 HB2 GLN 14 HB3 GLN 14 -2.065 -1.846 -3.191
86 HB3 GLN 14 HB2 GLN 14 -0.406 -1.848 -2.661
87 HG2 GLN 14 HG3 GLN 14 -1.787 -4.377 -3.635
88 HG3 GLN 14 HG2 GLN 14 -1.237 -3.163 -4.779
89 HE21 GLN 14 HE21 GLN 14 1.385 -2.798 -2.835
90 HE22 GLN 14 HE22 GLN 14 2.224 -4.250 -3.343
91 H TYR 15 H TYR 15 0.680 -2.514 -0.958
92 HA TYR 15 HA TYR 15 1.225 -4.212 1.280
93 HB2 TYR 15 HB3 TYR 15 2.063 -5.172 -1.463
94 HB3 TYR 15 HB2 TYR 15 2.959 -5.606 -0.044
95 HD1 TYR 15 HD2 TYR 15 1.849 -6.855 1.824
96 HD2 TYR 15 HD1 TYR 15 0.134 -6.449 -2.096
97 HE1 TYR 15 HE2 TYR 15 0.339 -8.787 2.291
98 HE2 TYR 15 HE1 TYR 15 -1.395 -8.370 -1.630
99 HH TYR 15 HH TYR 15 -1.310 -10.085 1.487
100 H TRP 16 H TRP 16 1.559 -1.699 1.318
101 HA TRP 16 HA TRP 16 3.114 -0.505 2.580
102 HB2 TRP 16 HB3 TRP 16 4.513 -2.566 2.512
103 HB3 TRP 16 HB2 TRP 16 5.348 -1.900 1.122
104 HD1 TRP 16 HD1 TRP 16 7.192 -0.189 1.474
105 HE1 TRP 16 HE1 TRP 16 8.699 0.166 3.497
106 HE3 TRP 16 HE3 TRP 16 4.220 -2.239 5.082
107 HZ2 TRP 16 HZ2 TRP 16 8.450 0.026 6.397
108 HZ3 TRP 16 HZ3 TRP 16 4.899 -2.152 7.478
109 HH2 TRP 16 HH2 TRP 16 6.984 -0.987 8.146
110 H ASP 17 H ASP 17 3.522 1.603 2.320
111 HA ASP 17 HA ASP 17 4.275 2.732 -0.373
112 HB2 ASP 17 HB3 ASP 17 2.874 3.898 2.052
113 HB3 ASP 17 HB2 ASP 17 3.567 4.938 0.831
114 H GLN 18 H GLN 18 5.868 1.966 2.528
115 HA GLN 18 HA GLN 18 6.874 4.551 3.215
116 HB2 GLN 18 HB3 GLN 18 6.864 2.196 4.527
117 HB3 GLN 18 HB2 GLN 18 8.524 2.167 3.947
118 HG2 GLN 18 HG3 GLN 18 7.880 4.750 5.177
119 HG3 GLN 18 HG2 GLN 18 7.531 3.403 6.259
120 HE21 GLN 18 HE21 GLN 18 9.314 2.111 7.089
121 HE22 GLN 18 HE22 GLN 18 10.966 2.546 6.697
122 H HIS 19 H HIS 19 8.827 5.532 2.936
123 HA HIS 19 HA HIS 19 9.941 5.324 0.335
124 HB2 HIS 19 HB3 HIS 19 11.075 7.343 0.829
125 HB3 HIS 19 HB2 HIS 19 9.494 7.424 1.580
126 HD1 HIS 19 HD1 HIS 19 11.166 5.518 4.135
127 HD2 HIS 19 HD2 HIS 19 11.713 9.380 2.508
128 HE1 HIS 19 HE1 HIS 19 12.545 6.809 5.838
129 HE2 HIS 19 HE2 HIS 19 12.876 9.191 4.868
130 H ALA 20 H ALA 20 10.676 2.873 1.220
131 HA ALA 20 HA ALA 20 13.578 2.898 0.904
132 HB1 ALA 20 HB1 ALA 20 12.237 1.578 3.318
133 HB2 ALA 20 HB2 ALA 20 13.943 1.410 2.867
134 HB3 ALA 20 HB3 ALA 20 13.319 2.990 3.369
135 HA PRO 21 HA PRO 21 12.231 -0.448 -1.656
136 HB2 PRO 21 HB3 PRO 21 14.507 -1.888 -2.117
137 HB3 PRO 21 HB2 PRO 21 14.282 -0.213 -2.708
138 HG2 PRO 21 HG3 PRO 21 15.713 -1.110 -0.180
139 HG3 PRO 21 HG2 PRO 21 16.319 -0.004 -1.457
140 HD2 PRO 21 HD3 PRO 21 15.179 0.945 0.826
141 HD3 PRO 21 HD2 PRO 21 14.890 1.744 -0.750
142 H LEU 22 H LEU 22 13.572 -1.225 1.437
143 HA LEU 22 HA LEU 22 11.657 -3.313 1.814
144 HB2 LEU 22 HB3 LEU 22 13.146 -4.986 2.729
145 HB3 LEU 22 HB2 LEU 22 13.544 -4.669 1.059
146 HG LEU 22 HG LEU 22 15.213 -2.889 2.546
147 HD11 LEU 22 HD11 LEU 22 15.240 -5.680 3.767
148 HD12 LEU 22 HD12 LEU 22 14.744 -4.209 4.595
149 HD13 LEU 22 HD13 LEU 22 16.429 -4.397 4.073
150 HD21 LEU 22 HD21 LEU 22 17.033 -4.299 1.710
151 HD22 LEU 22 HD22 LEU 22 15.802 -4.038 0.454
152 HD23 LEU 22 HD23 LEU 22 15.871 -5.588 1.326
153 H ALA 23 H ALA 23 11.708 -3.900 4.237
154 HA ALA 23 HA ALA 23 12.713 -1.777 6.006
155 HB1 ALA 23 HB1 ALA 23 10.602 -0.833 5.115
156 HB2 ALA 23 HB2 ALA 23 9.731 -2.289 5.668
157 HB3 ALA 23 HB3 ALA 23 10.479 -1.200 6.852
158 H ASP 24 H ASP 24 12.221 -4.996 5.469
159 HA ASP 24 HA ASP 24 12.595 -5.920 8.144
160 HB2 ASP 24 HB3 ASP 24 10.055 -5.942 7.515
161 HB3 ASP 24 HB2 ASP 24 10.485 -7.120 6.293
Start of MODEL 8
1 H1 GLY 1 H GLY 1 0.956 2.170 0.597
2 HA2 GLY 1 HA3 GLY 1 0.342 1.343 -1.744
3 HA3 GLY 1 HA2 GLY 1 1.881 2.092 -1.408
4 HA PRO 2 HA PRO 2 2.146 -1.811 -3.839
5 HB2 PRO 2 HB3 PRO 2 2.989 -0.915 -6.230
6 HB3 PRO 2 HB2 PRO 2 1.334 -0.595 -5.629
7 HG2 PRO 2 HG3 PRO 2 3.733 1.269 -5.477
8 HG3 PRO 2 HG2 PRO 2 2.094 1.627 -6.112
9 HD2 PRO 2 HD3 PRO 2 2.848 2.197 -3.528
10 HD3 PRO 2 HD2 PRO 2 1.173 1.728 -3.954
11 H THR 3 H THR 3 3.850 -2.412 -2.213
12 HA THR 3 HA THR 3 6.293 -2.962 -3.738
13 HB THR 3 HB THR 3 6.320 -0.985 -1.791
14 HG1 THR 3 HG1 THR 3 8.424 -0.958 -2.256
15 HG21 THR 3 HG21 THR 3 7.652 -1.538 0.005
16 HG22 THR 3 HG22 THR 3 8.114 -3.105 -0.637
17 HG23 THR 3 HG23 THR 3 6.480 -2.868 -0.016
18 HA PRO 4 HA PRO 4 5.529 -6.934 -1.802
19 HB2 PRO 4 HB3 PRO 4 7.938 -8.164 -1.379
20 HB3 PRO 4 HB2 PRO 4 7.307 -7.731 -2.986
21 HG2 PRO 4 HG3 PRO 4 9.245 -6.146 -1.275
22 HG3 PRO 4 HG2 PRO 4 9.428 -6.635 -2.986
23 HD2 PRO 4 HD3 PRO 4 8.509 -4.188 -2.379
24 HD3 PRO 4 HD2 PRO 4 7.787 -5.107 -3.712
25 H MET 5 H MET 5 5.836 -4.766 0.501
26 HA MET 5 HA MET 5 6.559 -6.620 2.754
27 HB2 MET 5 HB3 MET 5 7.147 -3.769 2.296
28 HB3 MET 5 HB2 MET 5 6.370 -4.035 3.834
29 HG2 MET 5 HG3 MET 5 8.723 -4.122 4.145
30 HG3 MET 5 HG2 MET 5 8.022 -5.684 4.495
31 HE1 MET 5 HE1 MET 5 9.403 -3.649 1.487
32 HE2 MET 5 HE2 MET 5 10.395 -4.839 0.598
33 HE3 MET 5 HE3 MET 5 8.628 -4.925 0.535
34 H VAL 6 H VAL 6 5.147 -5.550 4.915
35 HA VAL 6 HA VAL 6 2.379 -5.118 3.924
36 HB VAL 6 HB VAL 6 2.600 -7.527 4.353
37 HG11 VAL 6 HG11 VAL 6 4.154 -7.497 6.284
38 HG12 VAL 6 HG12 VAL 6 2.888 -6.763 7.294
39 HG13 VAL 6 HG13 VAL 6 2.667 -8.398 6.629
40 HG21 VAL 6 HG21 VAL 6 0.420 -6.364 4.496
41 HG22 VAL 6 HG22 VAL 6 0.524 -7.758 5.581
42 HG23 VAL 6 HG23 VAL 6 0.673 -6.125 6.247
43 H GLY 7 H GLY 7 1.165 -3.760 4.967
44 HA2 GLY 7 HA3 GLY 7 0.527 -2.498 7.019
45 HA3 GLY 7 HA2 GLY 7 2.245 -2.437 7.435
46 H LEU 8 H LEU 8 1.800 -0.172 7.591
47 HA LEU 8 HA LEU 8 1.928 1.968 7.067
48 HB2 LEU 8 HB3 LEU 8 4.017 0.801 5.873
49 HB3 LEU 8 HB2 LEU 8 3.285 1.493 4.447
50 HG LEU 8 HG LEU 8 4.945 2.989 5.220
51 HD11 LEU 8 HD11 LEU 8 3.853 5.064 5.657
52 HD12 LEU 8 HD12 LEU 8 2.421 4.255 6.315
53 HD13 LEU 8 HD13 LEU 8 2.801 4.133 4.583
54 HD21 LEU 8 HD21 LEU 8 3.701 2.943 7.992
55 HD22 LEU 8 HD22 LEU 8 5.108 3.891 7.486
56 HD23 LEU 8 HD23 LEU 8 5.198 2.120 7.507
57 H ASP 9 H ASP 9 0.955 0.495 3.930
58 HA ASP 9 HA ASP 9 0.387 2.725 2.510
59 HB2 ASP 9 HB2 ASP 9 -1.331 0.223 2.501
60 HB3 ASP 9 HB3 ASP 9 -1.567 1.552 1.382
61 H SER 10 H SER 10 -2.177 1.329 4.500
62 HA SER 10 HA SER 10 -4.122 2.110 5.381
63 HB2 SER 10 HB3 SER 10 -2.697 4.777 5.482
64 HB3 SER 10 HB2 SER 10 -4.036 4.223 6.508
65 HG SER 10 HG SER 10 -1.357 3.280 6.404
66 H VAL 11 H VAL 11 -3.163 3.695 2.551
67 HA VAL 11 HA VAL 11 -5.889 4.671 1.822
68 HB VAL 11 HB VAL 11 -3.221 6.041 1.247
69 HG11 VAL 11 HG11 VAL 11 -4.625 7.947 0.598
70 HG12 VAL 11 HG12 VAL 11 -5.034 6.531 -0.374
71 HG13 VAL 11 HG13 VAL 11 -6.093 7.017 0.966
72 HG21 VAL 11 HG21 VAL 11 -5.265 6.685 3.409
73 HG22 VAL 11 HG22 VAL 11 -3.557 6.246 3.630
74 HG23 VAL 11 HG23 VAL 11 -3.966 7.783 2.884
75 H SER 12 H SER 12 -2.600 4.083 0.349
76 HA SER 12 HA SER 12 -3.750 3.352 -2.218
77 HB2 SER 12 HB3 SER 12 -1.517 4.465 -1.885
78 HB3 SER 12 HB2 SER 12 -0.925 2.950 -1.199
79 HG SER 12 HG SER 12 -1.734 2.002 -3.252
80 H GLY 13 H GLY 13 -4.245 1.659 0.304
81 HA2 GLY 13 HA3 GLY 13 -3.954 -0.646 1.060
82 HA3 GLY 13 HA2 GLY 13 -5.270 -0.534 -0.104
83 H GLN 14 H GLN 14 -1.720 -1.286 -0.006
84 HA GLN 14 HA GLN 14 -2.301 -3.644 -1.663
85 HB2 GLN 14 HB3 GLN 14 -1.415 -1.380 -2.880
86 HB3 GLN 14 HB2 GLN 14 0.124 -2.050 -2.475
87 HG2 GLN 14 HG3 GLN 14 -2.086 -3.503 -3.989
88 HG3 GLN 14 HG2 GLN 14 -0.806 -2.573 -4.750
89 HE21 GLN 14 HE21 GLN 14 1.511 -3.535 -3.148
90 HE22 GLN 14 HE22 GLN 14 1.630 -5.193 -3.695
91 H TYR 15 H TYR 15 0.937 -2.437 -0.793
92 HA TYR 15 HA TYR 15 1.350 -4.275 1.397
93 HB2 TYR 15 HB3 TYR 15 2.118 -5.030 -1.416
94 HB3 TYR 15 HB2 TYR 15 3.085 -5.610 -0.120
95 HD1 TYR 15 HD2 TYR 15 1.465 -6.598 1.955
96 HD2 TYR 15 HD1 TYR 15 0.692 -6.683 -2.278
97 HE1 TYR 15 HE2 TYR 15 0.088 -8.632 2.255
98 HE2 TYR 15 HE1 TYR 15 -0.705 -8.717 -1.979
99 HH TYR 15 HH TYR 15 -1.100 -10.242 1.213
100 H TRP 16 H TRP 16 1.761 -1.637 1.370
101 HA TRP 16 HA TRP 16 3.218 -0.555 2.867
102 HB2 TRP 16 HB3 TRP 16 4.584 -2.579 3.091
103 HB3 TRP 16 HB2 TRP 16 5.506 -2.089 1.689
104 HD1 TRP 16 HD1 TRP 16 7.317 -0.316 1.857
105 HE1 TRP 16 HE1 TRP 16 8.831 0.252 3.846
106 HE3 TRP 16 HE3 TRP 16 4.374 -2.035 5.630
107 HZ2 TRP 16 HZ2 TRP 16 8.665 0.185 6.752
108 HZ3 TRP 16 HZ3 TRP 16 5.090 -1.848 8.003
109 HH2 TRP 16 HH2 TRP 16 7.215 -0.696 8.577
110 H ASP 17 H ASP 17 3.089 1.472 2.357
111 HA ASP 17 HA ASP 17 3.908 2.690 -0.147
112 HB2 ASP 17 HB3 ASP 17 2.357 3.383 2.268
113 HB3 ASP 17 HB2 ASP 17 3.318 4.731 1.754
114 H GLN 18 H GLN 18 5.902 2.020 2.505
115 HA GLN 18 HA GLN 18 6.770 4.708 2.998
116 HB2 GLN 18 HB3 GLN 18 6.997 2.400 4.415
117 HB3 GLN 18 HB2 GLN 18 8.625 2.494 3.730
118 HG2 GLN 18 HG3 GLN 18 8.282 5.069 4.675
119 HG3 GLN 18 HG2 GLN 18 7.309 4.146 5.826
120 HE21 GLN 18 HE21 GLN 18 8.501 2.284 7.000
121 HE22 GLN 18 HE22 GLN 18 10.253 2.372 7.022
122 H HIS 19 H HIS 19 8.568 5.812 2.481
123 HA HIS 19 HA HIS 19 9.856 5.689 0.042
124 HB2 HIS 19 HB3 HIS 19 11.089 7.587 0.809
125 HB3 HIS 19 HB2 HIS 19 9.500 7.673 1.539
126 HD1 HIS 19 HD1 HIS 19 10.883 5.283 3.841
127 HD2 HIS 19 HD2 HIS 19 11.873 9.289 2.859
128 HE1 HIS 19 HE1 HIS 19 12.245 6.134 5.752
129 HE2 HIS 19 HE2 HIS 19 12.867 8.599 5.205
130 H ALA 20 H ALA 20 10.541 3.056 1.181
131 HA ALA 20 HA ALA 20 13.496 3.120 1.035
132 HB1 ALA 20 HB1 ALA 20 13.652 1.628 3.003
133 HB2 ALA 20 HB2 ALA 20 12.879 3.156 3.462
134 HB3 ALA 20 HB3 ALA 20 11.896 1.699 3.214
135 HA PRO 21 HA PRO 21 12.536 -0.154 -1.740
136 HB2 PRO 21 HB3 PRO 21 14.817 -1.669 -1.843
137 HB3 PRO 21 HB2 PRO 21 14.716 0.001 -2.479
138 HG2 PRO 21 HG3 PRO 21 15.754 -0.892 0.237
139 HG3 PRO 21 HG2 PRO 21 16.546 0.200 -0.946
140 HD2 PRO 21 HD3 PRO 21 15.115 1.178 1.148
141 HD3 PRO 21 HD2 PRO 21 15.044 1.963 -0.459
142 H LEU 22 H LEU 22 13.393 -1.039 1.497
143 HA LEU 22 HA LEU 22 11.361 -2.978 1.655
144 HB2 LEU 22 HB3 LEU 22 12.707 -4.880 2.493
145 HB3 LEU 22 HB2 LEU 22 12.992 -4.540 0.812
146 HG LEU 22 HG LEU 22 14.939 -3.012 2.323
147 HD11 LEU 22 HD11 LEU 22 14.819 -5.943 3.119
148 HD12 LEU 22 HD12 LEU 22 14.596 -4.562 4.186
149 HD13 LEU 22 HD13 LEU 22 16.175 -4.837 3.431
150 HD21 LEU 22 HD21 LEU 22 15.275 -5.512 0.637
151 HD22 LEU 22 HD22 LEU 22 16.539 -4.332 1.053
152 HD23 LEU 22 HD23 LEU 22 15.180 -3.852 0.009
153 H ALA 23 H ALA 23 11.494 -3.919 4.064
154 HA ALA 23 HA ALA 23 12.654 -2.046 5.993
155 HB1 ALA 23 HB1 ALA 23 10.602 -0.857 5.277
156 HB2 ALA 23 HB2 ALA 23 9.633 -2.294 5.710
157 HB3 ALA 23 HB3 ALA 23 10.496 -1.391 6.969
158 H ASP 24 H ASP 24 12.006 -5.186 5.233
159 HA ASP 24 HA ASP 24 12.188 -6.268 7.882
160 HB2 ASP 24 HB3 ASP 24 9.687 -6.102 7.084
161 HB3 ASP 24 HB2 ASP 24 10.135 -7.296 5.884
Start of MODEL 9
1 H1 GLY 1 H GLY 1 0.996 1.905 0.264
2 HA2 GLY 1 HA3 GLY 1 -0.292 0.134 -1.511
3 HA3 GLY 1 HA2 GLY 1 0.429 1.692 -1.825
4 HA PRO 2 HA PRO 2 2.376 -1.319 -4.387
5 HB2 PRO 2 HB3 PRO 2 3.537 0.177 -6.339
6 HB3 PRO 2 HB2 PRO 2 1.783 0.019 -6.097
7 HG2 PRO 2 HG3 PRO 2 3.593 2.238 -5.096
8 HG3 PRO 2 HG2 PRO 2 2.040 2.382 -5.987
9 HD2 PRO 2 HD3 PRO 2 2.177 2.574 -3.289
10 HD3 PRO 2 HD2 PRO 2 0.784 1.786 -4.088
11 H THR 3 H THR 3 3.816 -1.968 -2.488
12 HA THR 3 HA THR 3 6.202 -2.660 -3.945
13 HB THR 3 HB THR 3 6.743 -0.692 -2.303
14 HG1 THR 3 HG1 THR 3 8.806 -1.536 -2.123
15 HG21 THR 3 HG21 THR 3 7.626 -1.201 -0.211
16 HG22 THR 3 HG22 THR 3 7.425 -2.949 -0.430
17 HG23 THR 3 HG23 THR 3 6.022 -1.941 -0.215
18 HA PRO 4 HA PRO 4 4.722 -6.383 -1.769
19 HB2 PRO 4 HB3 PRO 4 6.704 -8.135 -1.431
20 HB3 PRO 4 HB2 PRO 4 6.416 -7.381 -3.032
21 HG2 PRO 4 HG3 PRO 4 8.392 -6.477 -0.900
22 HG3 PRO 4 HG2 PRO 4 8.741 -6.880 -2.615
23 HD2 PRO 4 HD3 PRO 4 8.272 -4.336 -1.825
24 HD3 PRO 4 HD2 PRO 4 7.692 -4.931 -3.402
25 H MET 5 H MET 5 6.206 -4.416 0.531
26 HA MET 5 HA MET 5 6.440 -6.423 2.692
27 HB2 MET 5 HB3 MET 5 7.191 -3.574 2.343
28 HB3 MET 5 HB2 MET 5 6.590 -3.970 3.945
29 HG2 MET 5 HG3 MET 5 8.971 -4.193 3.938
30 HG3 MET 5 HG2 MET 5 8.216 -5.740 4.228
31 HE1 MET 5 HE1 MET 5 9.692 -3.440 1.484
32 HE2 MET 5 HE2 MET 5 10.365 -4.577 0.285
33 HE3 MET 5 HE3 MET 5 8.615 -4.368 0.417
34 H VAL 6 H VAL 6 5.293 -6.193 4.795
35 HA VAL 6 HA VAL 6 2.438 -6.048 4.061
36 HB VAL 6 HB VAL 6 3.259 -8.160 4.642
37 HG11 VAL 6 HG11 VAL 6 3.776 -7.262 7.494
38 HG12 VAL 6 HG12 VAL 6 3.916 -8.895 6.825
39 HG13 VAL 6 HG13 VAL 6 5.023 -7.628 6.290
40 HG21 VAL 6 HG21 VAL 6 0.905 -7.580 5.048
41 HG22 VAL 6 HG22 VAL 6 1.494 -8.858 6.124
42 HG23 VAL 6 HG23 VAL 6 1.290 -7.207 6.743
43 H GLY 7 H GLY 7 2.137 -3.797 4.204
44 HA2 GLY 7 HA3 GLY 7 0.282 -3.148 5.990
45 HA3 GLY 7 HA2 GLY 7 1.690 -2.796 6.979
46 H LEU 8 H LEU 8 1.632 -0.716 7.189
47 HA LEU 8 HA LEU 8 1.741 1.488 6.964
48 HB2 LEU 8 HB3 LEU 8 3.756 0.561 5.590
49 HB3 LEU 8 HB2 LEU 8 2.883 1.141 4.197
50 HG LEU 8 HG LEU 8 4.609 2.645 4.804
51 HD11 LEU 8 HD11 LEU 8 2.067 4.078 5.589
52 HD12 LEU 8 HD12 LEU 8 2.467 3.625 3.915
53 HD13 LEU 8 HD13 LEU 8 3.513 4.734 4.808
54 HD21 LEU 8 HD21 LEU 8 4.724 3.849 6.902
55 HD22 LEU 8 HD22 LEU 8 4.735 2.100 7.215
56 HD23 LEU 8 HD23 LEU 8 3.256 3.047 7.496
57 H ASP 9 H ASP 9 0.521 0.387 3.793
58 HA ASP 9 HA ASP 9 0.343 2.768 2.666
59 HB2 ASP 9 HB2 ASP 9 -1.747 0.615 2.242
60 HB3 ASP 9 HB3 ASP 9 -1.468 1.929 1.137
61 H SER 10 H SER 10 -2.353 1.672 4.597
62 HA SER 10 HA SER 10 -4.172 2.630 5.552
63 HB2 SER 10 HB3 SER 10 -2.499 5.148 5.340
64 HB3 SER 10 HB2 SER 10 -3.910 4.912 6.387
65 HG SER 10 HG SER 10 -1.475 3.427 6.441
66 H VAL 11 H VAL 11 -3.375 4.357 2.637
67 HA VAL 11 HA VAL 11 -6.278 4.487 1.926
68 HB VAL 11 HB VAL 11 -4.327 6.750 1.320
69 HG11 VAL 11 HG11 VAL 11 -7.330 6.492 0.863
70 HG12 VAL 11 HG12 VAL 11 -6.362 7.956 0.572
71 HG13 VAL 11 HG13 VAL 11 -6.080 6.509 -0.401
72 HG21 VAL 11 HG21 VAL 11 -4.889 6.850 3.702
73 HG22 VAL 11 HG22 VAL 11 -5.762 8.124 2.843
74 HG23 VAL 11 HG23 VAL 11 -6.615 6.640 3.329
75 H SER 12 H SER 12 -2.886 4.410 0.868
76 HA SER 12 HA SER 12 -3.370 3.898 -1.938
77 HB2 SER 12 HB3 SER 12 -1.329 4.899 -0.575
78 HB3 SER 12 HB2 SER 12 -0.851 3.210 -0.453
79 HG SER 12 HG SER 12 0.147 4.012 -2.123
80 H GLY 13 H GLY 13 -4.480 1.952 0.167
81 HA2 GLY 13 HA3 GLY 13 -3.349 -0.265 0.976
82 HA3 GLY 13 HA2 GLY 13 -4.969 -0.321 0.323
83 H GLN 14 H GLN 14 -1.656 -1.271 -0.099
84 HA GLN 14 HA GLN 14 -2.553 -3.495 -1.718
85 HB2 GLN 14 HB3 GLN 14 -1.880 -1.733 -3.360
86 HB3 GLN 14 HB2 GLN 14 -0.255 -1.771 -2.756
87 HG2 GLN 14 HG3 GLN 14 -1.643 -4.238 -3.876
88 HG3 GLN 14 HG2 GLN 14 -0.892 -3.044 -4.918
89 HE21 GLN 14 HE21 GLN 14 1.547 -2.649 -2.999
90 HE22 GLN 14 HE22 GLN 14 2.414 -4.120 -3.353
91 H TYR 15 H TYR 15 0.813 -2.466 -1.156
92 HA TYR 15 HA TYR 15 1.215 -3.931 1.292
93 HB2 TYR 15 HB3 TYR 15 2.254 -5.020 -1.336
94 HB3 TYR 15 HB2 TYR 15 3.095 -5.321 0.150
95 HD1 TYR 15 HD1 TYR 15 2.002 -6.597 1.990
96 HD2 TYR 15 HD2 TYR 15 0.339 -6.340 -1.956
97 HE1 TYR 15 HE1 TYR 15 0.567 -8.579 2.475
98 HE2 TYR 15 HE2 TYR 15 -1.102 -8.312 -1.495
99 HH TYR 15 HH TYR 15 -1.059 -9.924 1.687
100 H TRP 16 H TRP 16 1.562 -1.565 1.535
101 HA TRP 16 HA TRP 16 2.971 -0.218 2.662
102 HB2 TRP 16 HB3 TRP 16 3.845 -2.306 3.339
103 HB3 TRP 16 HB2 TRP 16 4.938 -2.392 1.990
104 HD1 TRP 16 HD1 TRP 16 7.126 -0.907 2.049
105 HE1 TRP 16 HE1 TRP 16 8.748 -0.831 4.033
106 HE3 TRP 16 HE3 TRP 16 3.927 -2.038 5.853
107 HZ2 TRP 16 HZ2 TRP 16 8.599 -0.810 6.924
108 HZ3 TRP 16 HZ3 TRP 16 4.703 -2.060 8.204
109 HH2 TRP 16 HH2 TRP 16 7.038 -1.438 8.749
110 H ASP 17 H ASP 17 2.766 1.767 1.354
111 HA ASP 17 HA ASP 17 4.642 2.476 -0.675
112 HB2 ASP 17 HB3 ASP 17 3.467 4.566 1.156
113 HB3 ASP 17 HB2 ASP 17 3.890 4.693 -0.537
114 H GLN 18 H GLN 18 5.829 1.701 2.200
115 HA GLN 18 HA GLN 18 6.883 4.131 3.309
116 HB2 GLN 18 HB3 GLN 18 6.603 1.673 4.277
117 HB3 GLN 18 HB2 GLN 18 8.263 1.504 3.706
118 HG2 GLN 18 HG3 GLN 18 7.522 3.827 5.497
119 HG3 GLN 18 HG2 GLN 18 7.700 2.216 6.185
120 HE21 GLN 18 HE21 GLN 18 9.788 1.108 6.027
121 HE22 GLN 18 HE22 GLN 18 11.234 2.049 5.729
122 H HIS 19 H HIS 19 8.637 5.257 2.843
123 HA HIS 19 HA HIS 19 9.817 5.114 0.327
124 HB2 HIS 19 HB3 HIS 19 10.827 7.175 0.802
125 HB3 HIS 19 HB2 HIS 19 9.303 7.152 1.663
126 HD1 HIS 19 HD1 HIS 19 10.787 5.401 4.217
127 HD2 HIS 19 HD2 HIS 19 11.840 9.060 2.368
128 HE1 HIS 19 HE1 HIS 19 12.276 6.636 5.884
129 HE2 HIS 19 HE2 HIS 19 12.923 8.892 4.763
130 H ALA 20 H ALA 20 10.722 2.657 1.359
131 HA ALA 20 HA ALA 20 13.559 2.871 0.673
132 HB1 ALA 20 HB1 ALA 20 13.636 2.921 3.130
133 HB2 ALA 20 HB2 ALA 20 12.545 1.518 3.220
134 HB3 ALA 20 HB3 ALA 20 14.182 1.322 2.573
135 HA PRO 21 HA PRO 21 12.262 -0.631 -1.715
136 HB2 PRO 21 HB3 PRO 21 14.536 -2.056 -2.203
137 HB3 PRO 21 HB2 PRO 21 14.279 -0.405 -2.839
138 HG2 PRO 21 HG3 PRO 21 15.795 -1.203 -0.333
139 HG3 PRO 21 HG2 PRO 21 16.349 -0.135 -1.662
140 HD2 PRO 21 HD3 PRO 21 15.276 0.876 0.625
141 HD3 PRO 21 HD2 PRO 21 14.927 1.625 -0.962
142 H LEU 22 H LEU 22 13.503 -1.201 1.416
143 HA LEU 22 HA LEU 22 11.854 -3.499 1.830
144 HB2 LEU 22 HB3 LEU 22 13.531 -4.970 2.781
145 HB3 LEU 22 HB2 LEU 22 13.835 -4.647 1.094
146 HG LEU 22 HG LEU 22 15.569 -2.868 1.922
147 HD11 LEU 22 HD11 LEU 22 16.657 -3.575 4.094
148 HD12 LEU 22 HD12 LEU 22 15.226 -4.556 4.441
149 HD13 LEU 22 HD13 LEU 22 15.093 -2.789 4.311
150 HD21 LEU 22 HD21 LEU 22 17.297 -4.598 2.063
151 HD22 LEU 22 HD22 LEU 22 16.129 -4.977 0.781
152 HD23 LEU 22 HD23 LEU 22 16.050 -5.836 2.335
153 H ALA 23 H ALA 23 12.218 -4.059 4.372
154 HA ALA 23 HA ALA 23 12.979 -1.703 5.924
155 HB1 ALA 23 HB1 ALA 23 10.608 -1.215 5.401
156 HB2 ALA 23 HB2 ALA 23 10.139 -2.808 6.054
157 HB3 ALA 23 HB3 ALA 23 10.835 -1.582 7.132
158 H ASP 24 H ASP 24 11.439 -4.912 6.001
159 HA ASP 24 HA ASP 24 12.818 -5.829 8.382
160 HB2 ASP 24 HB3 ASP 24 11.125 -7.471 6.483
161 HB3 ASP 24 HB2 ASP 24 11.303 -7.623 8.231
Start of MODEL 10
1 H1 GLY 1 H GLY 1 1.260 -0.484 0.236
2 HA2 GLY 1 HA3 GLY 1 0.464 1.224 -2.027
3 HA3 GLY 1 HA2 GLY 1 2.068 1.519 -1.338
4 HA PRO 2 HA PRO 2 2.286 -1.755 -4.625
5 HB2 PRO 2 HB3 PRO 2 3.484 -0.456 -6.686
6 HB3 PRO 2 HB2 PRO 2 1.782 -0.166 -6.247
7 HG2 PRO 2 HG3 PRO 2 4.196 1.471 -5.382
8 HG3 PRO 2 HG2 PRO 2 2.686 2.047 -6.165
9 HD2 PRO 2 HD3 PRO 2 3.024 2.090 -3.455
10 HD3 PRO 2 HD2 PRO 2 1.435 1.760 -4.209
11 H THR 3 H THR 3 3.838 -2.355 -2.590
12 HA THR 3 HA THR 3 6.433 -3.013 -3.826
13 HB THR 3 HB THR 3 6.180 -0.922 -1.992
14 HG1 THR 3 HG1 THR 3 8.341 -0.878 -2.214
15 HG21 THR 3 HG21 THR 3 7.385 -1.348 -0.088
16 HG22 THR 3 HG22 THR 3 7.890 -2.948 -0.584
17 HG23 THR 3 HG23 THR 3 6.201 -2.669 -0.093
18 HA PRO 4 HA PRO 4 5.433 -6.830 -1.798
19 HB2 PRO 4 HB3 PRO 4 7.768 -8.066 -1.045
20 HB3 PRO 4 HB2 PRO 4 7.241 -7.780 -2.726
21 HG2 PRO 4 HG3 PRO 4 9.173 -6.157 -1.070
22 HG3 PRO 4 HG2 PRO 4 9.346 -6.696 -2.761
23 HD2 PRO 4 HD3 PRO 4 8.524 -4.182 -2.160
24 HD3 PRO 4 HD2 PRO 4 7.868 -5.063 -3.557
25 H MET 5 H MET 5 6.441 -4.620 0.637
26 HA MET 5 HA MET 5 6.359 -6.647 2.828
27 HB2 MET 5 HB3 MET 5 7.306 -3.797 2.611
28 HB3 MET 5 HB2 MET 5 6.728 -4.341 4.172
29 HG2 MET 5 HG3 MET 5 9.111 -4.645 4.062
30 HG3 MET 5 HG2 MET 5 8.299 -6.185 4.240
31 HE1 MET 5 HE1 MET 5 8.647 -4.564 0.450
32 HE2 MET 5 HE2 MET 5 9.551 -3.672 1.677
33 HE3 MET 5 HE3 MET 5 10.416 -4.639 0.448
34 H VAL 6 H VAL 6 5.094 -6.091 4.879
35 HA VAL 6 HA VAL 6 2.361 -5.211 4.035
36 HB VAL 6 HB VAL 6 2.584 -7.613 4.463
37 HG11 VAL 6 HG11 VAL 6 4.217 -7.595 6.334
38 HG12 VAL 6 HG12 VAL 6 2.998 -6.850 7.387
39 HG13 VAL 6 HG13 VAL 6 2.744 -8.484 6.746
40 HG21 VAL 6 HG21 VAL 6 0.423 -6.427 4.690
41 HG22 VAL 6 HG22 VAL 6 0.557 -7.847 5.735
42 HG23 VAL 6 HG23 VAL 6 0.736 -6.232 6.437
43 H GLY 7 H GLY 7 1.144 -3.890 5.219
44 HA2 GLY 7 HA3 GLY 7 0.610 -2.604 7.230
45 HA3 GLY 7 HA2 GLY 7 2.327 -2.599 7.653
46 H LEU 8 H LEU 8 1.579 -0.289 7.836
47 HA LEU 8 HA LEU 8 1.829 1.874 7.358
48 HB2 LEU 8 HB3 LEU 8 4.017 0.778 6.379
49 HB3 LEU 8 HB2 LEU 8 3.362 1.253 4.835
50 HG LEU 8 HG LEU 8 4.931 2.865 5.520
51 HD11 LEU 8 HD11 LEU 8 2.850 3.837 4.525
52 HD12 LEU 8 HD12 LEU 8 3.782 4.954 5.537
53 HD13 LEU 8 HD13 LEU 8 2.303 4.222 6.178
54 HD21 LEU 8 HD21 LEU 8 4.882 4.102 7.617
55 HD22 LEU 8 HD22 LEU 8 5.002 2.354 7.911
56 HD23 LEU 8 HD23 LEU 8 3.454 3.192 8.149
57 H ASP 9 H ASP 9 1.117 0.280 4.271
58 HA ASP 9 HA ASP 9 0.790 2.432 2.701
59 HB2 ASP 9 HB2 ASP 9 0.833 -0.086 2.236
60 HB3 ASP 9 HB3 ASP 9 -0.918 -0.026 2.342
61 H SER 10 H SER 10 -1.949 1.045 4.407
62 HA SER 10 HA SER 10 -4.007 1.751 5.055
63 HB2 SER 10 HB3 SER 10 -2.445 4.302 5.466
64 HB3 SER 10 HB2 SER 10 -3.917 3.805 6.327
65 HG SER 10 HG SER 10 -1.316 2.775 6.428
66 H VAL 11 H VAL 11 -3.080 3.426 2.255
67 HA VAL 11 HA VAL 11 -5.793 4.645 1.885
68 HB VAL 11 HB VAL 11 -3.134 5.992 1.239
69 HG11 VAL 11 HG11 VAL 11 -4.526 7.986 0.849
70 HG12 VAL 11 HG12 VAL 11 -5.037 6.671 -0.212
71 HG13 VAL 11 HG13 VAL 11 -5.992 7.053 1.235
72 HG21 VAL 11 HG21 VAL 11 -5.033 6.546 3.554
73 HG22 VAL 11 HG22 VAL 11 -3.347 5.987 3.663
74 HG23 VAL 11 HG23 VAL 11 -3.689 7.603 3.050
75 H SER 12 H SER 12 -2.666 3.980 0.133
76 HA SER 12 HA SER 12 -3.899 3.838 -2.421
77 HB2 SER 12 HB3 SER 12 -1.273 2.622 -1.534
78 HB3 SER 12 HB2 SER 12 -1.747 3.039 -3.181
79 HG SER 12 HG SER 12 -0.464 4.500 -1.514
80 H GLY 13 H GLY 13 -3.698 1.465 0.066
81 HA2 GLY 13 HA3 GLY 13 -5.389 -0.235 0.185
82 HA3 GLY 13 HA2 GLY 13 -5.486 -0.248 -1.573
83 H GLN 14 H GLN 14 -2.259 -0.513 -0.269
84 HA GLN 14 HA GLN 14 -2.215 -3.395 -1.055
85 HB2 GLN 14 HB3 GLN 14 -2.049 -1.205 -2.781
86 HB3 GLN 14 HB2 GLN 14 -0.395 -1.553 -2.545
87 HG2 GLN 14 HG3 GLN 14 -2.506 -3.562 -3.443
88 HG3 GLN 14 HG2 GLN 14 -1.533 -2.592 -4.531
89 HE21 GLN 14 HE21 GLN 14 1.108 -2.937 -2.997
90 HE22 GLN 14 HE22 GLN 14 1.461 -4.617 -3.377
91 H TYR 15 H TYR 15 0.445 -3.847 -1.341
92 HA TYR 15 HA TYR 15 1.419 -4.047 1.363
93 HB2 TYR 15 HB3 TYR 15 2.302 -4.968 -1.356
94 HB3 TYR 15 HB2 TYR 15 3.252 -5.314 0.068
95 HD1 TYR 15 HD1 TYR 15 2.033 -6.500 2.038
96 HD2 TYR 15 HD2 TYR 15 0.586 -6.454 -2.015
97 HE1 TYR 15 HE1 TYR 15 0.498 -8.403 2.561
98 HE2 TYR 15 HE2 TYR 15 -0.926 -8.348 -1.505
99 HH TYR 15 HH TYR 15 -1.026 -9.865 1.713
100 H TRP 16 H TRP 16 1.852 -1.996 2.049
101 HA TRP 16 HA TRP 16 3.236 -0.406 2.896
102 HB2 TRP 16 HB3 TRP 16 4.338 -2.452 3.385
103 HB3 TRP 16 HB2 TRP 16 5.285 -2.355 1.916
104 HD1 TRP 16 HD1 TRP 16 7.276 -0.552 1.881
105 HE1 TRP 16 HE1 TRP 16 8.875 0.075 3.778
106 HE3 TRP 16 HE3 TRP 16 4.458 -2.019 5.868
107 HZ2 TRP 16 HZ2 TRP 16 8.773 0.303 6.663
108 HZ3 TRP 16 HZ3 TRP 16 5.246 -1.620 8.194
109 HH2 TRP 16 HH2 TRP 16 7.373 -0.417 8.604
110 H ASP 17 H ASP 17 2.770 1.436 1.795
111 HA ASP 17 HA ASP 17 4.197 2.439 -0.498
112 HB2 ASP 17 HB3 ASP 17 2.024 3.233 1.286
113 HB3 ASP 17 HB2 ASP 17 3.045 4.616 1.019
114 H GLN 18 H GLN 18 5.852 1.895 2.219
115 HA GLN 18 HA GLN 18 6.613 4.602 2.969
116 HB2 GLN 18 HB3 GLN 18 6.732 2.254 4.294
117 HB3 GLN 18 HB2 GLN 18 8.383 2.302 3.684
118 HG2 GLN 18 HG3 GLN 18 7.845 4.902 4.782
119 HG3 GLN 18 HG2 GLN 18 7.189 3.724 5.921
120 HE21 GLN 18 HE21 GLN 18 8.737 2.462 7.184
121 HE22 GLN 18 HE22 GLN 18 10.464 2.696 6.914
122 H HIS 19 H HIS 19 8.501 5.681 2.647
123 HA HIS 19 HA HIS 19 9.748 5.630 0.146
124 HB2 HIS 19 HB3 HIS 19 10.949 7.531 0.838
125 HB3 HIS 19 HB2 HIS 19 9.395 7.607 1.643
126 HD1 HIS 19 HD1 HIS 19 10.878 5.388 3.994
127 HD2 HIS 19 HD2 HIS 19 11.833 9.298 2.686
128 HE1 HIS 19 HE1 HIS 19 12.288 6.408 5.827
129 HE2 HIS 19 HE2 HIS 19 12.893 8.813 5.056
130 H ALA 20 H ALA 20 10.429 3.007 1.266
131 HA ALA 20 HA ALA 20 13.371 3.083 0.989
132 HB1 ALA 20 HB1 ALA 20 12.888 3.089 3.433
133 HB2 ALA 20 HB2 ALA 20 11.875 1.639 3.227
134 HB3 ALA 20 HB3 ALA 20 13.618 1.553 2.924
135 HA PRO 21 HA PRO 21 12.385 -0.261 -1.723
136 HB2 PRO 21 HB3 PRO 21 14.688 -1.740 -1.822
137 HB3 PRO 21 HB2 PRO 21 14.566 -0.083 -2.496
138 HG2 PRO 21 HG3 PRO 21 15.639 -0.916 0.226
139 HG3 PRO 21 HG2 PRO 21 16.411 0.168 -0.978
140 HD2 PRO 21 HD3 PRO 21 14.984 1.147 1.119
141 HD3 PRO 21 HD2 PRO 21 14.907 1.930 -0.490
142 H LEU 22 H LEU 22 13.520 -1.081 1.486
143 HA LEU 22 HA LEU 22 11.453 -2.992 1.814
144 HB2 LEU 22 HB3 LEU 22 12.805 -4.865 2.628
145 HB3 LEU 22 HB2 LEU 22 13.098 -4.546 0.943
146 HG LEU 22 HG LEU 22 15.033 -2.998 2.459
147 HD11 LEU 22 HD11 LEU 22 14.645 -4.581 4.314
148 HD12 LEU 22 HD12 LEU 22 16.259 -4.784 3.610
149 HD13 LEU 22 HD13 LEU 22 14.957 -5.938 3.238
150 HD21 LEU 22 HD21 LEU 22 15.311 -3.840 0.153
151 HD22 LEU 22 HD22 LEU 22 15.377 -5.504 0.779
152 HD23 LEU 22 HD23 LEU 22 16.649 -4.340 1.214
153 H ALA 23 H ALA 23 11.620 -3.850 4.189
154 HA ALA 23 HA ALA 23 12.748 -1.924 6.098
155 HB1 ALA 23 HB1 ALA 23 10.651 -0.827 5.347
156 HB2 ALA 23 HB2 ALA 23 9.739 -2.301 5.776
157 HB3 ALA 23 HB3 ALA 23 10.543 -1.355 7.044
158 H ASP 24 H ASP 24 12.084 -5.072 5.298
159 HA ASP 24 HA ASP 24 12.310 -6.267 7.880
160 HB2 ASP 24 HB3 ASP 24 9.783 -5.956 7.195
161 HB3 ASP 24 HB2 ASP 24 10.132 -7.088 5.904
Start of MODEL 11
1 H1 GLY 1 H GLY 1 1.006 -0.400 0.114
2 HA2 GLY 1 HA3 GLY 1 0.081 1.074 -2.212
3 HA3 GLY 1 HA2 GLY 1 1.545 1.722 -1.490
4 HA PRO 2 HA PRO 2 2.462 -1.583 -4.661
5 HB2 PRO 2 HB3 PRO 2 3.889 -0.175 -6.473
6 HB3 PRO 2 HB2 PRO 2 2.119 -0.004 -6.315
7 HG2 PRO 2 HG3 PRO 2 4.265 1.774 -5.085
8 HG3 PRO 2 HG2 PRO 2 2.839 2.275 -6.045
9 HD2 PRO 2 HD3 PRO 2 2.839 2.251 -3.301
10 HD3 PRO 2 HD2 PRO 2 1.370 1.868 -4.250
11 H THR 3 H THR 3 3.716 -2.417 -2.682
12 HA THR 3 HA THR 3 6.531 -2.814 -3.481
13 HB THR 3 HB THR 3 5.577 -1.463 -0.948
14 HG1 THR 3 HG1 THR 3 6.450 -0.514 -2.971
15 HG21 THR 3 HG21 THR 3 7.084 -3.176 -0.029
16 HG22 THR 3 HG22 THR 3 7.793 -1.565 0.038
17 HG23 THR 3 HG23 THR 3 8.364 -2.656 -1.185
18 HA PRO 4 HA PRO 4 5.240 -6.806 -1.753
19 HB2 PRO 4 HB3 PRO 4 7.565 -8.087 -0.997
20 HB3 PRO 4 HB2 PRO 4 7.014 -7.829 -2.677
21 HG2 PRO 4 HG3 PRO 4 9.002 -6.184 -1.095
22 HG3 PRO 4 HG2 PRO 4 9.144 -6.799 -2.765
23 HD2 PRO 4 HD3 PRO 4 8.375 -4.272 -2.360
24 HD3 PRO 4 HD2 PRO 4 7.580 -5.249 -3.596
25 H MET 5 H MET 5 6.536 -4.699 0.668
26 HA MET 5 HA MET 5 6.313 -6.657 2.860
27 HB2 MET 5 HB3 MET 5 7.247 -3.805 2.627
28 HB3 MET 5 HB2 MET 5 6.680 -4.361 4.195
29 HG2 MET 5 HG3 MET 5 9.061 -4.675 4.045
30 HG3 MET 5 HG2 MET 5 8.224 -6.190 4.248
31 HE1 MET 5 HE1 MET 5 8.689 -4.568 0.435
32 HE2 MET 5 HE2 MET 5 9.571 -3.751 1.733
33 HE3 MET 5 HE3 MET 5 10.453 -4.732 0.522
34 H VAL 6 H VAL 6 5.061 -5.865 4.942
35 HA VAL 6 HA VAL 6 2.289 -5.156 4.041
36 HB VAL 6 HB VAL 6 2.603 -7.538 4.477
37 HG11 VAL 6 HG11 VAL 6 2.774 -8.419 6.741
38 HG12 VAL 6 HG12 VAL 6 4.226 -7.492 6.337
39 HG13 VAL 6 HG13 VAL 6 2.999 -6.783 7.400
40 HG21 VAL 6 HG21 VAL 6 0.707 -6.222 6.450
41 HG22 VAL 6 HG22 VAL 6 0.399 -6.440 4.711
42 HG23 VAL 6 HG23 VAL 6 0.589 -7.851 5.766
43 H GLY 7 H GLY 7 1.114 -3.754 5.084
44 HA2 GLY 7 HA3 GLY 7 0.440 -2.454 7.067
45 HA3 GLY 7 HA2 GLY 7 2.115 -2.493 7.621
46 H LEU 8 H LEU 8 1.612 -0.189 7.755
47 HA LEU 8 HA LEU 8 1.915 1.953 7.254
48 HB2 LEU 8 HB3 LEU 8 4.053 0.801 6.248
49 HB3 LEU 8 HB2 LEU 8 3.379 1.263 4.699
50 HG LEU 8 HG LEU 8 4.957 2.902 5.352
51 HD11 LEU 8 HD11 LEU 8 2.869 3.867 4.393
52 HD12 LEU 8 HD12 LEU 8 3.766 4.982 5.435
53 HD13 LEU 8 HD13 LEU 8 2.301 4.204 6.043
54 HD21 LEU 8 HD21 LEU 8 5.081 2.380 7.742
55 HD22 LEU 8 HD22 LEU 8 3.536 3.213 8.022
56 HD23 LEU 8 HD23 LEU 8 4.944 4.123 7.464
57 H ASP 9 H ASP 9 1.320 0.569 4.074
58 HA ASP 9 HA ASP 9 0.656 2.675 2.586
59 HB2 ASP 9 HB2 ASP 9 0.879 0.160 2.110
60 HB3 ASP 9 HB3 ASP 9 -0.845 0.038 2.396
61 H SER 10 H SER 10 -2.064 0.907 4.032
62 HA SER 10 HA SER 10 -4.122 1.543 4.776
63 HB2 SER 10 HB3 SER 10 -2.784 4.189 5.412
64 HB3 SER 10 HB2 SER 10 -4.238 3.514 6.160
65 HG SER 10 HG SER 10 -1.548 2.700 6.362
66 H VAL 11 H VAL 11 -3.046 3.409 2.164
67 HA VAL 11 HA VAL 11 -5.743 4.646 1.715
68 HB VAL 11 HB VAL 11 -3.037 5.899 1.109
69 HG11 VAL 11 HG11 VAL 11 -4.350 7.972 0.853
70 HG12 VAL 11 HG12 VAL 11 -4.883 6.749 -0.303
71 HG13 VAL 11 HG13 VAL 11 -5.855 7.068 1.152
72 HG21 VAL 11 HG21 VAL 11 -3.544 7.449 3.003
73 HG22 VAL 11 HG22 VAL 11 -4.914 6.404 3.459
74 HG23 VAL 11 HG23 VAL 11 -3.243 5.802 3.536
75 H SER 12 H SER 12 -2.710 3.639 0.018
76 HA SER 12 HA SER 12 -4.099 3.423 -2.563
77 HB2 SER 12 HB3 SER 12 -1.711 4.034 -2.437
78 HB3 SER 12 HB2 SER 12 -1.351 2.456 -1.739
79 HG SER 12 HG SER 12 -2.585 1.679 -3.703
80 H GLY 13 H GLY 13 -4.016 1.512 0.213
81 HA2 GLY 13 HA3 GLY 13 -5.447 -0.312 0.650
82 HA3 GLY 13 HA2 GLY 13 -5.774 -0.427 -1.079
83 H GLN 14 H GLN 14 -2.404 -0.530 -0.114
84 HA GLN 14 HA GLN 14 -2.361 -3.399 -0.969
85 HB2 GLN 14 HB3 GLN 14 -2.310 -1.226 -2.630
86 HB3 GLN 14 HB2 GLN 14 -0.618 -1.442 -2.413
87 HG2 GLN 14 HG3 GLN 14 -2.604 -3.564 -3.347
88 HG3 GLN 14 HG2 GLN 14 -1.733 -2.485 -4.432
89 HE21 GLN 14 HE21 GLN 14 0.969 -2.790 -2.955
90 HE22 GLN 14 HE22 GLN 14 1.383 -4.430 -3.434
91 H TYR 15 H TYR 15 0.219 -3.932 -1.350
92 HA TYR 15 HA TYR 15 1.269 -4.195 1.306
93 HB2 TYR 15 HB3 TYR 15 2.073 -5.131 -1.452
94 HB3 TYR 15 HB2 TYR 15 3.042 -5.493 -0.051
95 HD1 TYR 15 HD1 TYR 15 1.929 -6.672 1.939
96 HD2 TYR 15 HD2 TYR 15 0.194 -6.517 -1.998
97 HE1 TYR 15 HE1 TYR 15 0.448 -8.582 2.524
98 HE2 TYR 15 HE2 TYR 15 -1.304 -8.428 -1.411
99 HH TYR 15 HH TYR 15 -1.146 -9.982 1.791
100 H TRP 16 H TRP 16 1.676 -2.009 1.877
101 HA TRP 16 HA TRP 16 3.178 -0.576 2.745
102 HB2 TRP 16 HB3 TRP 16 4.524 -2.620 2.887
103 HB3 TRP 16 HB2 TRP 16 5.317 -2.218 1.377
104 HD1 TRP 16 HD1 TRP 16 7.096 -0.211 1.448
105 HE1 TRP 16 HE1 TRP 16 8.691 0.410 3.339
106 HE3 TRP 16 HE3 TRP 16 4.473 -2.134 5.384
107 HZ2 TRP 16 HZ2 TRP 16 8.666 0.397 6.249
108 HZ3 TRP 16 HZ3 TRP 16 5.263 -1.808 7.705
109 HH2 TRP 16 HH2 TRP 16 7.353 -0.554 8.158
110 H ASP 17 H ASP 17 4.503 1.168 2.521
111 HA ASP 17 HA ASP 17 4.560 2.537 -0.140
112 HB2 ASP 17 HB3 ASP 17 2.381 2.468 1.643
113 HB3 ASP 17 HB2 ASP 17 3.060 4.046 1.920
114 H GLN 18 H GLN 18 6.362 2.011 2.475
115 HA GLN 18 HA GLN 18 6.948 4.782 3.273
116 HB2 GLN 18 HB3 GLN 18 7.141 2.530 4.689
117 HB3 GLN 18 HB2 GLN 18 8.748 2.481 3.966
118 HG2 GLN 18 HG3 GLN 18 8.452 5.138 4.934
119 HG3 GLN 18 HG2 GLN 18 7.698 4.123 6.163
120 HE21 GLN 18 HE21 GLN 18 9.134 2.514 7.318
121 HE22 GLN 18 HE22 GLN 18 10.867 2.629 7.034
122 H HIS 19 H HIS 19 8.883 5.857 2.878
123 HA HIS 19 HA HIS 19 10.001 5.728 0.307
124 HB2 HIS 19 HB3 HIS 19 11.326 7.609 0.952
125 HB3 HIS 19 HB2 HIS 19 9.742 7.761 1.691
126 HD1 HIS 19 HD1 HIS 19 11.340 5.473 4.058
127 HD2 HIS 19 HD2 HIS 19 11.819 9.534 2.944
128 HE1 HIS 19 HE1 HIS 19 12.535 6.576 5.975
129 HE2 HIS 19 HE2 HIS 19 12.850 9.077 5.330
130 H ALA 20 H ALA 20 10.647 3.140 1.380
131 HA ALA 20 HA ALA 20 13.573 3.081 1.055
132 HB1 ALA 20 HB1 ALA 20 12.077 1.772 3.383
133 HB2 ALA 20 HB2 ALA 20 13.779 1.497 2.988
134 HB3 ALA 20 HB3 ALA 20 13.246 3.109 3.507
135 HA PRO 21 HA PRO 21 12.336 -0.210 -1.630
136 HB2 PRO 21 HB3 PRO 21 14.596 -1.740 -1.851
137 HB3 PRO 21 HB2 PRO 21 14.497 -0.068 -2.486
138 HG2 PRO 21 HG3 PRO 21 15.634 -0.978 0.182
139 HG3 PRO 21 HG2 PRO 21 16.404 0.088 -1.039
140 HD2 PRO 21 HD3 PRO 21 15.089 1.107 1.107
141 HD3 PRO 21 HD2 PRO 21 14.964 1.893 -0.499
142 H LEU 22 H LEU 22 13.401 -1.018 1.574
143 HA LEU 22 HA LEU 22 11.485 -3.092 1.825
144 HB2 LEU 22 HB3 LEU 22 12.970 -4.874 2.614
145 HB3 LEU 22 HB2 LEU 22 13.237 -4.482 0.941
146 HG LEU 22 HG LEU 22 15.104 -2.836 2.292
147 HD11 LEU 22 HD11 LEU 22 14.711 -4.133 4.384
148 HD12 LEU 22 HD12 LEU 22 16.353 -4.367 3.746
149 HD13 LEU 22 HD13 LEU 22 15.111 -5.618 3.526
150 HD21 LEU 22 HD21 LEU 22 15.513 -5.576 1.055
151 HD22 LEU 22 HD22 LEU 22 16.772 -4.351 1.326
152 HD23 LEU 22 HD23 LEU 22 15.455 -4.034 0.171
153 H ALA 23 H ALA 23 11.674 -3.978 4.152
154 HA ALA 23 HA ALA 23 12.604 -2.012 6.129
155 HB1 ALA 23 HB1 ALA 23 10.380 -1.856 7.199
156 HB2 ALA 23 HB2 ALA 23 10.343 -1.209 5.543
157 HB3 ALA 23 HB3 ALA 23 9.668 -2.819 5.889
158 H ASP 24 H ASP 24 11.517 -5.205 5.228
159 HA ASP 24 HA ASP 24 12.712 -6.469 7.576
160 HB2 ASP 24 HB3 ASP 24 10.495 -7.621 5.850
161 HB3 ASP 24 HB2 ASP 24 11.058 -8.177 7.417
Start of MODEL 12
1 H1 GLY 1 H GLY 1 0.994 2.216 0.538
2 HA2 GLY 1 HA3 GLY 1 0.381 1.360 -1.798
3 HA3 GLY 1 HA2 GLY 1 1.937 2.096 -1.459
4 HA PRO 2 HA PRO 2 2.133 -1.872 -3.825
5 HB2 PRO 2 HB3 PRO 2 2.960 -1.061 -6.253
6 HB3 PRO 2 HB2 PRO 2 1.317 -0.716 -5.650
7 HG2 PRO 2 HG3 PRO 2 3.726 1.146 -5.558
8 HG3 PRO 2 HG2 PRO 2 2.087 1.490 -6.192
9 HD2 PRO 2 HD3 PRO 2 2.881 2.122 -3.635
10 HD3 PRO 2 HD2 PRO 2 1.192 1.681 -4.044
11 H THR 3 H THR 3 3.862 -2.481 -2.226
12 HA THR 3 HA THR 3 6.305 -3.017 -3.769
13 HB THR 3 HB THR 3 6.245 -1.049 -1.806
14 HG1 THR 3 HG1 THR 3 8.353 -0.950 -2.272
15 HG21 THR 3 HG21 THR 3 7.597 -1.538 -0.029
16 HG22 THR 3 HG22 THR 3 8.125 -3.088 -0.665
17 HG23 THR 3 HG23 THR 3 6.482 -2.911 -0.029
18 HA PRO 4 HA PRO 4 5.607 -6.982 -1.789
19 HB2 PRO 4 HB3 PRO 4 8.038 -8.132 -1.223
20 HB3 PRO 4 HB2 PRO 4 7.413 -7.823 -2.865
21 HG2 PRO 4 HG3 PRO 4 9.318 -6.123 -1.242
22 HG3 PRO 4 HG2 PRO 4 9.481 -6.658 -2.943
23 HD2 PRO 4 HD3 PRO 4 8.545 -4.199 -2.375
24 HD3 PRO 4 HD2 PRO 4 7.833 -5.156 -3.692
25 H MET 5 H MET 5 6.056 -4.722 0.502
26 HA MET 5 HA MET 5 6.498 -6.611 2.809
27 HB2 MET 5 HB3 MET 5 7.225 -3.754 2.342
28 HB3 MET 5 HB2 MET 5 6.492 -4.060 3.897
29 HG2 MET 5 HG3 MET 5 8.840 -4.195 4.144
30 HG3 MET 5 HG2 MET 5 8.125 -5.773 4.437
31 HE1 MET 5 HE1 MET 5 10.418 -4.774 0.532
32 HE2 MET 5 HE2 MET 5 8.650 -4.844 0.522
33 HE3 MET 5 HE3 MET 5 9.467 -3.619 1.508
34 H VAL 6 H VAL 6 5.152 -5.781 4.909
35 HA VAL 6 HA VAL 6 2.375 -5.167 3.944
36 HB VAL 6 HB VAL 6 2.665 -7.548 4.402
37 HG11 VAL 6 HG11 VAL 6 4.224 -7.462 6.328
38 HG12 VAL 6 HG12 VAL 6 2.938 -6.766 7.333
39 HG13 VAL 6 HG13 VAL 6 2.773 -8.405 6.676
40 HG21 VAL 6 HG21 VAL 6 0.597 -7.815 5.628
41 HG22 VAL 6 HG22 VAL 6 0.706 -6.168 6.274
42 HG23 VAL 6 HG23 VAL 6 0.468 -6.438 4.527
43 H GLY 7 H GLY 7 1.159 -3.763 4.904
44 HA2 GLY 7 HA3 GLY 7 0.495 -2.467 6.917
45 HA3 GLY 7 HA2 GLY 7 2.201 -2.363 7.347
46 H LEU 8 H LEU 8 1.794 -0.161 7.470
47 HA LEU 8 HA LEU 8 1.929 1.973 6.982
48 HB2 LEU 8 HB3 LEU 8 3.998 0.785 5.734
49 HB3 LEU 8 HB2 LEU 8 3.268 1.548 4.347
50 HG LEU 8 HG LEU 8 4.946 2.985 5.167
51 HD11 LEU 8 HD11 LEU 8 2.810 4.169 4.573
52 HD12 LEU 8 HD12 LEU 8 3.894 5.057 5.655
53 HD13 LEU 8 HD13 LEU 8 2.448 4.274 6.307
54 HD21 LEU 8 HD21 LEU 8 5.175 2.000 7.414
55 HD22 LEU 8 HD22 LEU 8 3.713 2.849 7.941
56 HD23 LEU 8 HD23 LEU 8 5.146 3.776 7.466
57 H ASP 9 H ASP 9 0.913 0.544 3.846
58 HA ASP 9 HA ASP 9 0.361 2.811 2.426
59 HB2 ASP 9 HB2 ASP 9 -1.303 0.281 2.437
60 HB3 ASP 9 HB3 ASP 9 -1.557 1.586 1.297
61 H SER 10 H SER 10 -2.123 1.409 4.530
62 HA SER 10 HA SER 10 -4.056 2.184 5.471
63 HB2 SER 10 HB3 SER 10 -2.600 4.841 5.435
64 HB3 SER 10 HB2 SER 10 -3.930 4.372 6.504
65 HG SER 10 HG SER 10 -1.289 3.357 6.381
66 H VAL 11 H VAL 11 -3.280 3.679 2.573
67 HA VAL 11 HA VAL 11 -6.055 4.568 1.913
68 HB VAL 11 HB VAL 11 -3.463 6.042 1.244
69 HG11 VAL 11 HG11 VAL 11 -4.960 7.876 0.589
70 HG12 VAL 11 HG12 VAL 11 -5.317 6.424 -0.353
71 HG13 VAL 11 HG13 VAL 11 -6.384 6.886 0.996
72 HG21 VAL 11 HG21 VAL 11 -4.249 7.796 2.849
73 HG22 VAL 11 HG22 VAL 11 -5.468 6.647 3.447
74 HG23 VAL 11 HG23 VAL 11 -3.733 6.305 3.620
75 H SER 12 H SER 12 -2.769 4.101 0.500
76 HA SER 12 HA SER 12 -3.597 3.425 -2.099
77 HB2 SER 12 HB3 SER 12 -0.981 2.676 -0.797
78 HB3 SER 12 HB2 SER 12 -1.259 3.113 -2.494
79 HG SER 12 HG SER 12 -0.411 4.628 -0.628
80 H GLY 13 H GLY 13 -4.263 1.530 0.361
81 HA2 GLY 13 HA3 GLY 13 -4.301 -0.804 0.881
82 HA3 GLY 13 HA2 GLY 13 -5.405 -0.528 -0.449
83 H GLN 14 H GLN 14 -1.808 -1.256 -0.152
84 HA GLN 14 HA GLN 14 -2.290 -3.707 -1.714
85 HB2 GLN 14 HB3 GLN 14 -1.431 -1.405 -2.918
86 HB3 GLN 14 HB2 GLN 14 0.111 -2.091 -2.519
87 HG2 GLN 14 HG3 GLN 14 -2.112 -3.543 -4.024
88 HG3 GLN 14 HG2 GLN 14 -0.848 -2.606 -4.807
89 HE21 GLN 14 HE21 GLN 14 1.476 -3.550 -3.186
90 HE22 GLN 14 HE22 GLN 14 1.604 -5.214 -3.714
91 H TYR 15 H TYR 15 0.898 -2.415 -0.846
92 HA TYR 15 HA TYR 15 1.384 -4.225 1.344
93 HB2 TYR 15 HB3 TYR 15 2.178 -5.005 -1.462
94 HB3 TYR 15 HB2 TYR 15 3.146 -5.538 -0.139
95 HD1 TYR 15 HD2 TYR 15 1.651 -6.583 1.910
96 HD2 TYR 15 HD1 TYR 15 0.673 -6.638 -2.284
97 HE1 TYR 15 HE2 TYR 15 0.298 -8.644 2.249
98 HE2 TYR 15 HE1 TYR 15 -0.665 -8.695 -1.949
99 HH TYR 15 HH TYR 15 -0.984 -10.209 1.260
100 H TRP 16 H TRP 16 1.789 -1.807 1.696
101 HA TRP 16 HA TRP 16 3.309 -0.580 2.885
102 HB2 TRP 16 HB3 TRP 16 4.527 -2.629 3.188
103 HB3 TRP 16 HB2 TRP 16 5.471 -2.314 1.750
104 HD1 TRP 16 HD1 TRP 16 7.317 -0.435 1.827
105 HE1 TRP 16 HE1 TRP 16 8.839 0.210 3.787
106 HE3 TRP 16 HE3 TRP 16 4.406 -2.063 5.667
107 HZ2 TRP 16 HZ2 TRP 16 8.708 0.190 6.690
108 HZ3 TRP 16 HZ3 TRP 16 5.105 -1.753 8.029
109 HH2 TRP 16 HH2 TRP 16 7.252 -0.623 8.556
110 H ASP 17 H ASP 17 3.102 1.394 2.267
111 HA ASP 17 HA ASP 17 3.962 2.566 -0.226
112 HB2 ASP 17 HB3 ASP 17 2.334 3.229 2.102
113 HB3 ASP 17 HB2 ASP 17 3.374 4.574 1.790
114 H GLN 18 H GLN 18 5.943 1.931 2.441
115 HA GLN 18 HA GLN 18 6.741 4.624 2.974
116 HB2 GLN 18 HB3 GLN 18 6.947 2.329 4.382
117 HB3 GLN 18 HB2 GLN 18 8.590 2.411 3.752
118 HG2 GLN 18 HG3 GLN 18 8.133 5.002 4.743
119 HG3 GLN 18 HG2 GLN 18 7.265 3.980 5.884
120 HE21 GLN 18 HE21 GLN 18 8.583 2.285 7.083
121 HE22 GLN 18 HE22 GLN 18 10.330 2.439 7.041
122 H HIS 19 H HIS 19 8.571 5.759 2.563
123 HA HIS 19 HA HIS 19 9.847 5.680 0.091
124 HB2 HIS 19 HB3 HIS 19 11.060 7.592 0.838
125 HB3 HIS 19 HB2 HIS 19 9.467 7.667 1.570
126 HD1 HIS 19 HD1 HIS 19 10.838 5.338 3.912
127 HD2 HIS 19 HD2 HIS 19 11.856 9.308 2.825
128 HE1 HIS 19 HE1 HIS 19 12.189 6.231 5.811
129 HE2 HIS 19 HE2 HIS 19 12.839 8.679 5.198
130 H ALA 20 H ALA 20 10.571 3.060 1.247
131 HA ALA 20 HA ALA 20 13.518 3.161 1.069
132 HB1 ALA 20 HB1 ALA 20 12.901 3.189 3.508
133 HB2 ALA 20 HB2 ALA 20 11.990 1.679 3.266
134 HB3 ALA 20 HB3 ALA 20 13.744 1.699 3.039
135 HA PRO 21 HA PRO 21 12.568 -0.096 -1.741
136 HB2 PRO 21 HB3 PRO 21 14.849 -1.623 -1.829
137 HB3 PRO 21 HB2 PRO 21 14.745 0.035 -2.491
138 HG2 PRO 21 HG3 PRO 21 15.790 -0.827 0.228
139 HG3 PRO 21 HG2 PRO 21 16.574 0.268 -0.955
140 HD2 PRO 21 HD3 PRO 21 15.148 1.226 1.148
141 HD3 PRO 21 HD2 PRO 21 15.063 2.028 -0.453
142 H LEU 22 H LEU 22 13.502 -1.034 1.484
143 HA LEU 22 HA LEU 22 11.434 -2.950 1.635
144 HB2 LEU 22 HB3 LEU 22 12.751 -4.872 2.422
145 HB3 LEU 22 HB2 LEU 22 13.066 -4.467 0.755
146 HG LEU 22 HG LEU 22 15.094 -3.037 1.982
147 HD11 LEU 22 HD11 LEU 22 14.562 -3.960 4.229
148 HD12 LEU 22 HD12 LEU 22 16.139 -4.515 3.649
149 HD13 LEU 22 HD13 LEU 22 14.738 -5.596 3.587
150 HD21 LEU 22 HD21 LEU 22 16.571 -4.863 1.268
151 HD22 LEU 22 HD22 LEU 22 15.327 -4.525 0.049
152 HD23 LEU 22 HD23 LEU 22 15.165 -5.942 1.110
153 H ALA 23 H ALA 23 11.546 -3.895 4.039
154 HA ALA 23 HA ALA 23 12.732 -2.038 5.962
155 HB1 ALA 23 HB1 ALA 23 10.664 -0.843 5.240
156 HB2 ALA 23 HB2 ALA 23 9.701 -2.267 5.716
157 HB3 ALA 23 HB3 ALA 23 10.595 -1.351 6.943
158 H ASP 24 H ASP 24 11.925 -5.178 5.165
159 HA ASP 24 HA ASP 24 12.015 -6.310 7.798
160 HB2 ASP 24 HB3 ASP 24 9.528 -5.915 6.796
161 HB3 ASP 24 HB2 ASP 24 9.951 -7.303 5.822
Start of MODEL 13
1 H1 GLY 1 H GLY 1 1.283 0.016 0.314
2 HA2 GLY 1 HA3 GLY 1 0.160 1.244 -2.067
3 HA3 GLY 1 HA2 GLY 1 1.628 2.019 -1.495
4 HA PRO 2 HA PRO 2 2.229 -1.688 -4.199
5 HB2 PRO 2 HB3 PRO 2 3.287 -0.694 -6.468
6 HB3 PRO 2 HB2 PRO 2 1.599 -0.366 -5.991
7 HG2 PRO 2 HG3 PRO 2 4.011 1.418 -5.507
8 HG3 PRO 2 HG2 PRO 2 2.463 1.861 -6.290
9 HD2 PRO 2 HD3 PRO 2 2.918 2.295 -3.628
10 HD3 PRO 2 HD2 PRO 2 1.302 1.831 -4.241
11 H THR 3 H THR 3 3.837 -2.319 -2.370
12 HA THR 3 HA THR 3 6.320 -2.984 -3.798
13 HB THR 3 HB THR 3 6.320 -0.918 -1.999
14 HG1 THR 3 HG1 THR 3 8.415 -0.965 -2.361
15 HG21 THR 3 HG21 THR 3 7.853 -3.058 -0.535
16 HG22 THR 3 HG22 THR 3 6.262 -2.485 -0.018
17 HG23 THR 3 HG23 THR 3 7.621 -1.361 -0.138
18 HA PRO 4 HA PRO 4 5.503 -6.883 -1.780
19 HB2 PRO 4 HB3 PRO 4 7.893 -8.036 -1.016
20 HB3 PRO 4 HB2 PRO 4 7.334 -7.810 -2.697
21 HG2 PRO 4 HG3 PRO 4 9.238 -6.107 -1.099
22 HG3 PRO 4 HG2 PRO 4 9.384 -6.647 -2.795
23 HD2 PRO 4 HD3 PRO 4 8.520 -4.164 -2.175
24 HD3 PRO 4 HD2 PRO 4 7.849 -5.057 -3.557
25 H MET 5 H MET 5 6.249 -4.653 0.654
26 HA MET 5 HA MET 5 6.298 -6.730 2.833
27 HB2 MET 5 HB3 MET 5 7.256 -3.883 2.655
28 HB3 MET 5 HB2 MET 5 6.609 -4.407 4.200
29 HG2 MET 5 HG3 MET 5 8.982 -4.732 4.192
30 HG3 MET 5 HG2 MET 5 8.147 -6.273 4.336
31 HE1 MET 5 HE1 MET 5 8.650 -4.671 0.561
32 HE2 MET 5 HE2 MET 5 9.531 -3.791 1.818
33 HE3 MET 5 HE3 MET 5 10.418 -4.775 0.615
34 H VAL 6 H VAL 6 5.041 -5.951 4.954
35 HA VAL 6 HA VAL 6 2.312 -5.077 4.065
36 HB VAL 6 HB VAL 6 2.439 -7.503 4.360
37 HG11 VAL 6 HG11 VAL 6 2.834 -6.954 7.327
38 HG12 VAL 6 HG12 VAL 6 2.558 -8.527 6.562
39 HG13 VAL 6 HG13 VAL 6 4.054 -7.646 6.242
40 HG21 VAL 6 HG21 VAL 6 0.633 -6.124 6.381
41 HG22 VAL 6 HG22 VAL 6 0.319 -6.278 4.632
42 HG23 VAL 6 HG23 VAL 6 0.400 -7.723 5.654
43 H GLY 7 H GLY 7 1.313 -3.570 5.070
44 HA2 GLY 7 HA3 GLY 7 0.700 -2.484 7.282
45 HA3 GLY 7 HA2 GLY 7 2.442 -2.420 7.600
46 H LEU 8 H LEU 8 1.704 -0.106 7.824
47 HA LEU 8 HA LEU 8 1.948 2.050 7.298
48 HB2 LEU 8 HB3 LEU 8 4.064 0.848 6.299
49 HB3 LEU 8 HB2 LEU 8 3.389 1.295 4.758
50 HG LEU 8 HG LEU 8 5.022 2.866 5.266
51 HD11 LEU 8 HD11 LEU 8 2.907 3.948 4.470
52 HD12 LEU 8 HD12 LEU 8 3.982 5.019 5.393
53 HD13 LEU 8 HD13 LEU 8 2.526 4.353 6.150
54 HD21 LEU 8 HD21 LEU 8 5.272 2.351 7.660
55 HD22 LEU 8 HD22 LEU 8 3.837 3.340 8.018
56 HD23 LEU 8 HD23 LEU 8 5.290 4.094 7.330
57 H ASP 9 H ASP 9 1.139 0.502 4.209
58 HA ASP 9 HA ASP 9 0.572 2.668 2.674
59 HB2 ASP 9 HB2 ASP 9 0.701 0.110 2.212
60 HB3 ASP 9 HB3 ASP 9 -1.040 0.135 2.388
61 H SER 10 H SER 10 -2.123 0.985 4.241
62 HA SER 10 HA SER 10 -4.138 1.691 5.040
63 HB2 SER 10 HB3 SER 10 -2.397 2.851 6.457
64 HB3 SER 10 HB2 SER 10 -2.744 4.331 5.553
65 HG SER 10 HG SER 10 -5.019 3.854 6.091
66 H VAL 11 H VAL 11 -3.139 3.420 2.320
67 HA VAL 11 HA VAL 11 -5.807 4.704 1.882
68 HB VAL 11 HB VAL 11 -3.078 5.896 1.244
69 HG11 VAL 11 HG11 VAL 11 -5.867 7.132 1.192
70 HG12 VAL 11 HG12 VAL 11 -4.333 7.968 0.840
71 HG13 VAL 11 HG13 VAL 11 -4.902 6.692 -0.236
72 HG21 VAL 11 HG21 VAL 11 -3.581 7.569 3.028
73 HG22 VAL 11 HG22 VAL 11 -4.957 6.563 3.547
74 HG23 VAL 11 HG23 VAL 11 -3.282 5.952 3.657
75 H SER 12 H SER 12 -2.743 3.703 0.118
76 HA SER 12 HA SER 12 -4.235 3.684 -2.401
77 HB2 SER 12 HB3 SER 12 -1.781 4.201 -2.293
78 HB3 SER 12 HB2 SER 12 -1.509 2.495 -1.876
79 HG SER 12 HG SER 12 -2.911 2.133 -3.845
80 H GLY 13 H GLY 13 -3.802 1.400 0.128
81 HA2 GLY 13 HA3 GLY 13 -5.252 -0.445 0.449
82 HA3 GLY 13 HA2 GLY 13 -5.676 -0.416 -1.258
83 H GLN 14 H GLN 14 -2.251 -0.435 -0.399
84 HA GLN 14 HA GLN 14 -2.063 -3.286 -1.250
85 HB2 GLN 14 HB3 GLN 14 -1.695 -0.983 -2.920
86 HB3 GLN 14 HB2 GLN 14 -0.115 -1.674 -2.678
87 HG2 GLN 14 HG3 GLN 14 -2.520 -3.262 -3.625
88 HG3 GLN 14 HG2 GLN 14 -1.337 -2.511 -4.692
89 HE21 GLN 14 HE21 GLN 14 1.196 -3.186 -3.669
90 HE22 GLN 14 HE22 GLN 14 1.227 -4.941 -3.597
91 H TYR 15 H TYR 15 0.455 -3.806 -1.465
92 HA TYR 15 HA TYR 15 1.283 -4.098 1.255
93 HB2 TYR 15 HB3 TYR 15 2.196 -5.012 -1.462
94 HB3 TYR 15 HB2 TYR 15 3.143 -5.411 -0.060
95 HD1 TYR 15 HD2 TYR 15 1.753 -6.481 1.977
96 HD2 TYR 15 HD1 TYR 15 0.609 -6.582 -2.176
97 HE1 TYR 15 HE2 TYR 15 0.334 -8.472 2.413
98 HE2 TYR 15 HE1 TYR 15 -0.827 -8.550 -1.736
99 HH TYR 15 HH TYR 15 -0.985 -10.074 1.474
100 H TRP 16 H TRP 16 1.769 -1.978 1.911
101 HA TRP 16 HA TRP 16 3.276 -0.701 2.988
102 HB2 TRP 16 HB3 TRP 16 4.327 -2.761 3.410
103 HB3 TRP 16 HB2 TRP 16 5.295 -2.646 1.948
104 HD1 TRP 16 HD1 TRP 16 7.283 -0.866 1.942
105 HE1 TRP 16 HE1 TRP 16 8.791 -0.086 3.861
106 HE3 TRP 16 HE3 TRP 16 4.352 -2.189 5.879
107 HZ2 TRP 16 HZ2 TRP 16 8.538 0.335 6.751
108 HZ3 TRP 16 HZ3 TRP 16 5.013 -1.644 8.213
109 HH2 TRP 16 HH2 TRP 16 7.087 -0.359 8.651
110 H ASP 17 H ASP 17 3.673 1.218 2.735
111 HA ASP 17 HA ASP 17 4.488 2.323 0.116
112 HB2 ASP 17 HB3 ASP 17 2.283 2.495 1.737
113 HB3 ASP 17 HB2 ASP 17 3.070 4.003 2.122
114 H GLN 18 H GLN 18 6.389 1.762 2.551
115 HA GLN 18 HA GLN 18 7.179 4.432 3.389
116 HB2 GLN 18 HB3 GLN 18 7.803 2.470 4.773
117 HB3 GLN 18 HB2 GLN 18 8.933 1.947 3.486
118 HG2 GLN 18 HG3 GLN 18 10.230 3.979 3.696
119 HG3 GLN 18 HG2 GLN 18 8.994 4.708 4.739
120 HE21 GLN 18 HE21 GLN 18 10.325 1.366 5.377
121 HE22 GLN 18 HE22 GLN 18 11.155 1.977 6.792
122 H HIS 19 H HIS 19 8.334 5.853 2.335
123 HA HIS 19 HA HIS 19 9.802 5.870 0.002
124 HB2 HIS 19 HB3 HIS 19 10.803 7.853 0.807
125 HB3 HIS 19 HB2 HIS 19 9.209 7.798 1.524
126 HD1 HIS 19 HD1 HIS 19 9.519 6.440 4.246
127 HD2 HIS 19 HD2 HIS 19 12.657 8.548 2.390
128 HE1 HIS 19 HE1 HIS 19 11.271 6.829 6.070
129 HE2 HIS 19 HE2 HIS 19 13.165 8.204 4.954
130 H ALA 20 H ALA 20 10.592 3.270 1.063
131 HA ALA 20 HA ALA 20 13.513 3.406 0.933
132 HB1 ALA 20 HB1 ALA 20 12.028 1.980 3.197
133 HB2 ALA 20 HB2 ALA 20 13.779 1.999 2.948
134 HB3 ALA 20 HB3 ALA 20 12.942 3.499 3.386
135 HA PRO 21 HA PRO 21 12.542 -0.011 -1.672
136 HB2 PRO 21 HB3 PRO 21 14.773 -1.606 -1.675
137 HB3 PRO 21 HB2 PRO 21 14.736 0.030 -2.398
138 HG2 PRO 21 HG3 PRO 21 15.711 -0.772 0.365
139 HG3 PRO 21 HG2 PRO 21 16.549 0.252 -0.844
140 HD2 PRO 21 HD3 PRO 21 15.128 1.343 1.196
141 HD3 PRO 21 HD2 PRO 21 15.099 2.082 -0.433
142 H LEU 22 H LEU 22 13.351 -0.837 1.625
143 HA LEU 22 HA LEU 22 11.310 -2.803 1.714
144 HB2 LEU 22 HB3 LEU 22 12.667 -4.692 2.582
145 HB3 LEU 22 HB2 LEU 22 12.984 -4.313 0.916
146 HG LEU 22 HG LEU 22 14.904 -2.779 2.383
147 HD11 LEU 22 HD11 LEU 22 14.762 -5.643 3.403
148 HD12 LEU 22 HD12 LEU 22 14.451 -4.196 4.360
149 HD13 LEU 22 HD13 LEU 22 16.074 -4.484 3.704
150 HD21 LEU 22 HD21 LEU 22 15.201 -5.412 0.904
151 HD22 LEU 22 HD22 LEU 22 16.518 -4.288 1.303
152 HD23 LEU 22 HD23 LEU 22 15.238 -3.792 0.174
153 H ALA 23 H ALA 23 11.550 -3.879 4.141
154 HA ALA 23 HA ALA 23 12.505 -1.984 6.131
155 HB1 ALA 23 HB1 ALA 23 9.506 -2.429 5.825
156 HB2 ALA 23 HB2 ALA 23 10.304 -1.515 7.121
157 HB3 ALA 23 HB3 ALA 23 10.372 -0.917 5.450
158 H ASP 24 H ASP 24 11.927 -5.160 5.238
159 HA ASP 24 HA ASP 24 12.243 -6.346 7.817
160 HB2 ASP 24 HB3 ASP 24 9.700 -6.145 7.202
161 HB3 ASP 24 HB2 ASP 24 10.054 -7.254 5.891
Start of MODEL 14
1 H1 GLY 1 H GLY 1 2.011 0.486 -0.116
2 HA2 GLY 1 HA3 GLY 1 1.583 2.356 -2.412
3 HA3 GLY 1 HA2 GLY 1 3.111 2.078 -1.570
4 HA PRO 2 HA PRO 2 2.889 -0.764 -5.300
5 HB2 PRO 2 HB3 PRO 2 4.567 0.416 -7.059
6 HB3 PRO 2 HB2 PRO 2 2.909 1.014 -6.780
7 HG2 PRO 2 HG3 PRO 2 5.467 2.035 -5.481
8 HG3 PRO 2 HG2 PRO 2 4.236 2.990 -6.375
9 HD2 PRO 2 HD3 PRO 2 4.204 2.743 -3.652
10 HD3 PRO 2 HD2 PRO 2 2.685 2.812 -4.592
11 H THR 3 H THR 3 4.063 -1.479 -3.021
12 HA THR 3 HA THR 3 6.808 -2.502 -3.594
13 HB THR 3 HB THR 3 5.699 -0.804 -1.357
14 HG1 THR 3 HG1 THR 3 7.375 0.407 -1.756
15 HG21 THR 3 HG21 THR 3 7.609 -1.027 0.017
16 HG22 THR 3 HG22 THR 3 8.378 -2.178 -1.066
17 HG23 THR 3 HG23 THR 3 6.877 -2.620 -0.160
18 HA PRO 4 HA PRO 4 4.715 -6.098 -1.827
19 HB2 PRO 4 HB3 PRO 4 6.691 -7.800 -1.083
20 HB3 PRO 4 HB2 PRO 4 6.430 -7.270 -2.772
21 HG2 PRO 4 HG3 PRO 4 8.388 -6.144 -0.752
22 HG3 PRO 4 HG2 PRO 4 8.720 -6.661 -2.430
23 HD2 PRO 4 HD3 PRO 4 8.281 -4.078 -1.803
24 HD3 PRO 4 HD2 PRO 4 7.670 -4.757 -3.320
25 H MET 5 H MET 5 6.404 -4.363 0.716
26 HA MET 5 HA MET 5 5.779 -6.313 2.820
27 HB2 MET 5 HB3 MET 5 7.053 -3.573 2.779
28 HB3 MET 5 HB2 MET 5 6.518 -4.270 4.296
29 HG2 MET 5 HG3 MET 5 8.801 -4.779 4.083
30 HG3 MET 5 HG2 MET 5 7.881 -6.262 3.944
31 HE1 MET 5 HE1 MET 5 10.042 -4.221 0.381
32 HE2 MET 5 HE2 MET 5 8.334 -3.884 0.681
33 HE3 MET 5 HE3 MET 5 9.535 -3.407 1.889
34 H VAL 6 H VAL 6 4.577 -5.591 4.899
35 HA VAL 6 HA VAL 6 1.934 -4.653 3.929
36 HB VAL 6 HB VAL 6 2.112 -6.883 4.901
37 HG11 VAL 6 HG11 VAL 6 2.270 -7.250 7.287
38 HG12 VAL 6 HG12 VAL 6 3.745 -6.451 6.725
39 HG13 VAL 6 HG13 VAL 6 2.512 -5.518 7.593
40 HG21 VAL 6 HG21 VAL 6 0.070 -6.771 6.176
41 HG22 VAL 6 HG22 VAL 6 0.285 -5.038 6.484
42 HG23 VAL 6 HG23 VAL 6 -0.021 -5.632 4.832
43 H GLY 7 H GLY 7 0.815 -2.944 4.669
44 HA2 GLY 7 HA3 GLY 7 0.141 -1.303 6.304
45 HA3 GLY 7 HA2 GLY 7 1.735 -1.403 7.063
46 H LEU 8 H LEU 8 1.525 0.963 6.910
47 HA LEU 8 HA LEU 8 1.993 3.025 6.237
48 HB2 LEU 8 HB3 LEU 8 4.120 1.453 5.440
49 HB3 LEU 8 HB2 LEU 8 3.766 2.310 3.965
50 HG LEU 8 HG LEU 8 5.513 3.395 5.171
51 HD11 LEU 8 HD11 LEU 8 4.713 5.669 5.346
52 HD12 LEU 8 HD12 LEU 8 3.031 5.118 5.479
53 HD13 LEU 8 HD13 LEU 8 3.929 4.874 3.972
54 HD21 LEU 8 HD21 LEU 8 3.625 3.746 7.522
55 HD22 LEU 8 HD22 LEU 8 5.293 4.323 7.403
56 HD23 LEU 8 HD23 LEU 8 4.963 2.584 7.430
57 H ASP 9 H ASP 9 1.389 1.193 3.291
58 HA ASP 9 HA ASP 9 0.450 3.275 1.572
59 HB2 ASP 9 HB2 ASP 9 0.742 0.424 1.514
60 HB3 ASP 9 HB3 ASP 9 -0.955 0.710 1.274
61 H SER 10 H SER 10 -1.187 4.605 1.933
62 HA SER 10 HA SER 10 -1.938 4.698 4.516
63 HB2 SER 10 HB3 SER 10 -3.282 6.313 2.319
64 HB3 SER 10 HB2 SER 10 -3.098 6.764 4.025
65 HG SER 10 HG SER 10 -0.717 6.335 3.492
66 H VAL 11 H VAL 11 -3.663 2.839 2.555
67 HA VAL 11 HA VAL 11 -5.295 2.057 4.737
68 HB VAL 11 HB VAL 11 -6.842 2.522 2.140
69 HG11 VAL 11 HG11 VAL 11 -7.635 1.183 4.760
70 HG12 VAL 11 HG12 VAL 11 -8.774 1.612 3.461
71 HG13 VAL 11 HG13 VAL 11 -7.515 0.413 3.165
72 HG21 VAL 11 HG21 VAL 11 -7.270 3.756 4.887
73 HG22 VAL 11 HG22 VAL 11 -6.715 4.605 3.433
74 HG23 VAL 11 HG23 VAL 11 -8.348 3.935 3.482
75 H SER 12 H SER 12 -5.226 1.511 1.257
76 HA SER 12 HA SER 12 -3.233 -0.450 1.120
77 HB2 SER 12 HB3 SER 12 -4.515 -2.473 0.551
78 HB3 SER 12 HB2 SER 12 -4.732 -2.026 2.248
79 HG SER 12 HG SER 12 -6.474 -1.344 0.127
80 H GLY 13 H GLY 13 -2.667 0.897 -0.708
81 HA2 GLY 13 HA3 GLY 13 -4.419 0.779 -3.118
82 HA3 GLY 13 HA2 GLY 13 -2.841 1.584 -2.956
83 H GLN 14 H GLN 14 -1.250 -0.128 -1.923
84 HA GLN 14 HA GLN 14 -1.755 -2.932 -2.588
85 HB2 GLN 14 HB3 GLN 14 0.330 -1.329 -3.943
86 HB3 GLN 14 HB2 GLN 14 0.979 -2.769 -3.191
87 HG2 GLN 14 HG3 GLN 14 -1.459 -2.957 -4.978
88 HG3 GLN 14 HG2 GLN 14 0.152 -2.789 -5.669
89 HE21 GLN 14 HE21 GLN 14 1.789 -4.461 -4.038
90 HE22 GLN 14 HE22 GLN 14 1.088 -6.076 -4.264
91 H TYR 15 H TYR 15 1.304 -1.523 -1.534
92 HA TYR 15 HA TYR 15 1.177 -2.642 1.200
93 HB2 TYR 15 HB3 TYR 15 2.168 -3.887 -1.348
94 HB3 TYR 15 HB2 TYR 15 3.078 -4.233 0.072
95 HD1 TYR 15 HD1 TYR 15 0.597 -4.491 2.016
96 HD2 TYR 15 HD2 TYR 15 1.574 -6.070 -1.864
97 HE1 TYR 15 HE1 TYR 15 -0.935 -6.420 2.412
98 HE2 TYR 15 HE2 TYR 15 0.051 -7.992 -1.474
99 HH TYR 15 HH TYR 15 -1.424 -8.913 -0.077
100 H TRP 16 H TRP 16 2.301 -1.058 2.267
101 HA TRP 16 HA TRP 16 3.938 0.263 3.026
102 HB2 TRP 16 HB3 TRP 16 4.684 -2.016 3.168
103 HB3 TRP 16 HB2 TRP 16 5.663 -1.817 1.729
104 HD1 TRP 16 HD1 TRP 16 8.079 -1.140 2.194
105 HE1 TRP 16 HE1 TRP 16 9.473 -0.870 4.331
106 HE3 TRP 16 HE3 TRP 16 4.320 -0.931 5.625
107 HZ2 TRP 16 HZ2 TRP 16 8.998 -0.207 7.121
108 HZ3 TRP 16 HZ3 TRP 16 4.803 -0.494 8.021
109 HH2 TRP 16 HH2 TRP 16 7.138 -0.123 8.776
110 H ASP 17 H ASP 17 3.257 2.063 1.716
111 HA ASP 17 HA ASP 17 4.925 3.287 -0.275
112 HB2 ASP 17 HB3 ASP 17 2.845 4.181 1.713
113 HB3 ASP 17 HB2 ASP 17 3.833 5.419 0.967
114 H GLN 18 H GLN 18 6.577 2.108 1.901
115 HA GLN 18 HA GLN 18 7.623 4.367 3.462
116 HB2 GLN 18 HB3 GLN 18 7.492 1.998 4.296
117 HB3 GLN 18 HB2 GLN 18 8.728 1.569 3.095
118 HG2 GLN 18 HG3 GLN 18 9.719 1.828 5.319
119 HG3 GLN 18 HG2 GLN 18 10.354 3.042 4.217
120 HE21 GLN 18 HE21 GLN 18 7.873 2.588 6.822
121 HE22 GLN 18 HE22 GLN 18 7.919 4.290 7.281
122 H HIS 19 H HIS 19 9.367 5.497 3.061
123 HA HIS 19 HA HIS 19 10.737 5.564 0.525
124 HB2 HIS 19 HB3 HIS 19 11.856 7.452 1.331
125 HB3 HIS 19 HB2 HIS 19 10.261 7.523 2.055
126 HD1 HIS 19 HD1 HIS 19 10.410 6.294 4.827
127 HD2 HIS 19 HD2 HIS 19 13.815 7.863 2.867
128 HE1 HIS 19 HE1 HIS 19 12.132 6.703 6.637
129 HE2 HIS 19 HE2 HIS 19 14.247 7.653 5.456
130 H ALA 20 H ALA 20 11.113 2.944 1.641
131 HA ALA 20 HA ALA 20 14.026 2.696 1.569
132 HB1 ALA 20 HB1 ALA 20 13.499 2.883 4.008
133 HB2 ALA 20 HB2 ALA 20 12.362 1.517 3.850
134 HB3 ALA 20 HB3 ALA 20 14.091 1.262 3.593
135 HA PRO 21 HA PRO 21 12.734 -0.537 -1.057
136 HB2 PRO 21 HB3 PRO 21 14.874 -2.237 -1.193
137 HB3 PRO 21 HB2 PRO 21 14.941 -0.551 -1.778
138 HG2 PRO 21 HG3 PRO 21 15.840 -1.614 0.923
139 HG3 PRO 21 HG2 PRO 21 16.765 -0.584 -0.217
140 HD2 PRO 21 HD3 PRO 21 15.404 0.486 1.875
141 HD3 PRO 21 HD2 PRO 21 15.441 1.317 0.288
142 H LEU 22 H LEU 22 13.605 -1.600 2.145
143 HA LEU 22 HA LEU 22 11.615 -3.711 2.198
144 HB2 LEU 22 HB3 LEU 22 14.551 -4.289 2.796
145 HB3 LEU 22 HB2 LEU 22 13.223 -5.249 3.390
146 HG LEU 22 HG LEU 22 12.599 -5.235 0.710
147 HD11 LEU 22 HD11 LEU 22 14.812 -4.129 0.207
148 HD12 LEU 22 HD12 LEU 22 14.633 -5.737 -0.524
149 HD13 LEU 22 HD13 LEU 22 15.625 -5.530 0.941
150 HD21 LEU 22 HD21 LEU 22 14.345 -7.202 2.229
151 HD22 LEU 22 HD22 LEU 22 13.467 -7.541 0.708
152 HD23 LEU 22 HD23 LEU 22 12.582 -7.169 2.202
153 H ALA 23 H ALA 23 11.888 -4.601 4.701
154 HA ALA 23 HA ALA 23 12.671 -2.569 6.596
155 HB1 ALA 23 HB1 ALA 23 10.451 -2.526 7.753
156 HB2 ALA 23 HB2 ALA 23 10.407 -1.748 6.152
157 HB3 ALA 23 HB3 ALA 23 9.723 -3.378 6.377
158 H ASP 24 H ASP 24 10.482 -5.361 6.374
159 HA ASP 24 HA ASP 24 11.823 -7.134 8.198
160 HB2 ASP 24 HB3 ASP 24 10.072 -7.972 5.880
161 HB3 ASP 24 HB2 ASP 24 10.170 -8.651 7.498
Start of MODEL 15
1 H1 GLY 1 H GLY 1 1.194 -0.517 0.258
2 HA2 GLY 1 HA3 GLY 1 0.748 1.500 -1.892
3 HA3 GLY 1 HA2 GLY 1 2.306 1.375 -1.084
4 HA PRO 2 HA PRO 2 2.197 -1.604 -4.672
5 HB2 PRO 2 HB3 PRO 2 3.492 -0.319 -6.676
6 HB3 PRO 2 HB2 PRO 2 1.814 0.086 -6.231
7 HG2 PRO 2 HG3 PRO 2 4.350 1.483 -5.300
8 HG3 PRO 2 HG2 PRO 2 2.894 2.215 -6.057
9 HD2 PRO 2 HD3 PRO 2 3.241 2.114 -3.332
10 HD3 PRO 2 HD2 PRO 2 1.632 1.975 -4.098
11 H THR 3 H THR 3 3.765 -2.201 -2.533
12 HA THR 3 HA THR 3 6.325 -3.003 -3.779
13 HB THR 3 HB THR 3 6.116 -0.877 -1.980
14 HG1 THR 3 HG1 THR 3 8.297 -0.914 -2.168
15 HG21 THR 3 HG21 THR 3 6.068 -2.461 -0.024
16 HG22 THR 3 HG22 THR 3 7.411 -1.309 -0.100
17 HG23 THR 3 HG23 THR 3 7.686 -2.993 -0.520
18 HA PRO 4 HA PRO 4 5.275 -6.805 -1.787
19 HB2 PRO 4 HB3 PRO 4 7.583 -8.053 -0.979
20 HB3 PRO 4 HB2 PRO 4 7.130 -7.748 -2.678
21 HG2 PRO 4 HG3 PRO 4 8.960 -6.121 -0.910
22 HG3 PRO 4 HG2 PRO 4 9.247 -6.670 -2.587
23 HD2 PRO 4 HD3 PRO 4 8.379 -4.164 -2.084
24 HD3 PRO 4 HD2 PRO 4 7.765 -5.073 -3.479
25 H MET 5 H MET 5 6.372 -4.627 0.691
26 HA MET 5 HA MET 5 6.210 -6.684 2.831
27 HB2 MET 5 HB3 MET 5 7.183 -3.850 2.679
28 HB3 MET 5 HB2 MET 5 6.579 -4.407 4.231
29 HG2 MET 5 HG3 MET 5 8.956 -4.779 4.132
30 HG3 MET 5 HG2 MET 5 8.099 -6.299 4.253
31 HE1 MET 5 HE1 MET 5 9.545 -3.730 1.923
32 HE2 MET 5 HE2 MET 5 10.368 -4.641 0.620
33 HE3 MET 5 HE3 MET 5 8.608 -4.429 0.597
34 H VAL 6 H VAL 6 4.994 -6.091 4.915
35 HA VAL 6 HA VAL 6 2.213 -5.301 4.101
36 HB VAL 6 HB VAL 6 2.483 -7.679 4.456
37 HG11 VAL 6 HG11 VAL 6 4.200 -7.681 6.264
38 HG12 VAL 6 HG12 VAL 6 2.994 -7.054 7.398
39 HG13 VAL 6 HG13 VAL 6 2.782 -8.657 6.666
40 HG21 VAL 6 HG21 VAL 6 0.322 -6.538 4.809
41 HG22 VAL 6 HG22 VAL 6 0.506 -7.993 5.799
42 HG23 VAL 6 HG23 VAL 6 0.689 -6.395 6.545
43 H GLY 7 H GLY 7 1.208 -3.742 5.043
44 HA2 GLY 7 HA3 GLY 7 0.541 -2.621 7.197
45 HA3 GLY 7 HA2 GLY 7 2.264 -2.575 7.600
46 H LEU 8 H LEU 8 1.774 -0.259 7.795
47 HA LEU 8 HA LEU 8 1.988 1.893 7.259
48 HB2 LEU 8 HB3 LEU 8 4.112 0.729 6.413
49 HB3 LEU 8 HB2 LEU 8 3.503 1.008 4.796
50 HG LEU 8 HG LEU 8 5.143 2.622 5.290
51 HD11 LEU 8 HD11 LEU 8 4.092 4.743 4.991
52 HD12 LEU 8 HD12 LEU 8 2.565 4.171 5.670
53 HD13 LEU 8 HD13 LEU 8 3.132 3.538 4.114
54 HD21 LEU 8 HD21 LEU 8 5.098 4.135 7.199
55 HD22 LEU 8 HD22 LEU 8 5.110 2.445 7.740
56 HD23 LEU 8 HD23 LEU 8 3.606 3.390 7.799
57 H ASP 9 H ASP 9 1.315 0.439 4.118
58 HA ASP 9 HA ASP 9 0.785 2.524 2.494
59 HB2 ASP 9 HB2 ASP 9 0.770 -0.077 2.233
60 HB3 ASP 9 HB3 ASP 9 -0.962 0.065 2.380
61 H SER 10 H SER 10 -1.887 0.954 4.175
62 HA SER 10 HA SER 10 -3.962 1.552 4.874
63 HB2 SER 10 HB3 SER 10 -2.328 2.655 6.411
64 HB3 SER 10 HB2 SER 10 -2.626 4.177 5.546
65 HG SER 10 HG SER 10 -4.918 3.728 6.015
66 H VAL 11 H VAL 11 -2.979 3.478 2.258
67 HA VAL 11 HA VAL 11 -5.771 4.504 1.836
68 HB VAL 11 HB VAL 11 -3.209 6.078 1.332
69 HG11 VAL 11 HG11 VAL 11 -6.156 6.852 1.150
70 HG12 VAL 11 HG12 VAL 11 -4.787 7.977 0.985
71 HG13 VAL 11 HG13 VAL 11 -5.015 6.694 -0.207
72 HG21 VAL 11 HG21 VAL 11 -4.021 7.590 3.156
73 HG22 VAL 11 HG22 VAL 11 -5.252 6.374 3.575
74 HG23 VAL 11 HG23 VAL 11 -3.517 6.003 3.733
75 H SER 12 H SER 12 -2.558 3.994 0.181
76 HA SER 12 HA SER 12 -3.701 3.887 -2.407
77 HB2 SER 12 HB3 SER 12 -1.174 2.432 -1.656
78 HB3 SER 12 HB2 SER 12 -1.580 3.244 -3.160
79 HG SER 12 HG SER 12 -0.317 4.184 -0.993
80 H GLY 13 H GLY 13 -3.704 1.541 0.065
81 HA2 GLY 13 HA3 GLY 13 -5.433 -0.084 0.161
82 HA3 GLY 13 HA2 GLY 13 -5.509 -0.104 -1.594
83 H GLN 14 H GLN 14 -2.301 -0.480 -0.350
84 HA GLN 14 HA GLN 14 -2.347 -3.375 -1.065
85 HB2 GLN 14 HB3 GLN 14 -2.149 -1.357 -2.879
86 HB3 GLN 14 HB2 GLN 14 -0.482 -1.514 -2.516
87 HG2 GLN 14 HG3 GLN 14 -2.330 -3.767 -3.437
88 HG3 GLN 14 HG2 GLN 14 -1.463 -2.715 -4.538
89 HE21 GLN 14 HE21 GLN 14 1.233 -2.835 -3.034
90 HE22 GLN 14 HE22 GLN 14 1.708 -4.473 -3.441
91 H TYR 15 H TYR 15 0.406 -3.739 -1.379
92 HA TYR 15 HA TYR 15 1.218 -4.006 1.388
93 HB2 TYR 15 HB3 TYR 15 2.132 -5.024 -1.282
94 HB3 TYR 15 HB2 TYR 15 3.058 -5.355 0.146
95 HD1 TYR 15 HD2 TYR 15 1.703 -6.417 2.177
96 HD2 TYR 15 HD1 TYR 15 0.451 -6.499 -1.932
97 HE1 TYR 15 HE2 TYR 15 0.169 -8.340 2.678
98 HE2 TYR 15 HE1 TYR 15 -1.085 -8.374 -1.450
99 HH TYR 15 HH TYR 15 -1.782 -9.848 0.105
100 H TRP 16 H TRP 16 1.651 -1.940 2.039
101 HA TRP 16 HA TRP 16 3.094 -0.467 2.989
102 HB2 TRP 16 HB3 TRP 16 4.105 -2.555 3.445
103 HB3 TRP 16 HB2 TRP 16 5.057 -2.501 1.979
104 HD1 TRP 16 HD1 TRP 16 7.084 -0.751 1.938
105 HE1 TRP 16 HE1 TRP 16 8.722 -0.218 3.832
106 HE3 TRP 16 HE3 TRP 16 4.285 -2.207 5.933
107 HZ2 TRP 16 HZ2 TRP 16 8.569 0.173 6.731
108 HZ3 TRP 16 HZ3 TRP 16 5.075 -1.801 8.258
109 HH2 TRP 16 HH2 TRP 16 7.175 -0.543 8.660
110 H ASP 17 H ASP 17 2.885 1.517 2.148
111 HA ASP 17 HA ASP 17 4.263 2.483 -0.215
112 HB2 ASP 17 HB3 ASP 17 2.473 3.658 1.909
113 HB3 ASP 17 HB2 ASP 17 3.389 4.772 0.935
114 H GLN 18 H GLN 18 6.072 1.695 2.394
115 HA GLN 18 HA GLN 18 7.040 4.281 3.162
116 HB2 GLN 18 HB3 GLN 18 7.545 2.308 4.583
117 HB3 GLN 18 HB2 GLN 18 8.754 1.790 3.361
118 HG2 GLN 18 HG3 GLN 18 10.056 3.791 3.665
119 HG3 GLN 18 HG2 GLN 18 8.764 4.545 4.605
120 HE21 GLN 18 HE21 GLN 18 10.394 1.265 5.173
121 HE22 GLN 18 HE22 GLN 18 10.931 1.854 6.734
122 H HIS 19 H HIS 19 8.214 5.654 2.197
123 HA HIS 19 HA HIS 19 9.638 5.835 -0.116
124 HB2 HIS 19 HB3 HIS 19 10.650 7.786 0.826
125 HB3 HIS 19 HB2 HIS 19 9.064 7.641 1.557
126 HD1 HIS 19 HD1 HIS 19 9.148 6.663 4.257
127 HD2 HIS 19 HD2 HIS 19 12.764 7.679 2.339
128 HE1 HIS 19 HE1 HIS 19 10.962 6.571 6.071
129 HE2 HIS 19 HE2 HIS 19 13.164 7.284 4.915
130 H ALA 20 H ALA 20 10.554 3.215 1.169
131 HA ALA 20 HA ALA 20 13.457 3.431 0.781
132 HB1 ALA 20 HB1 ALA 20 13.162 3.642 3.230
133 HB2 ALA 20 HB2 ALA 20 12.096 2.218 3.237
134 HB3 ALA 20 HB3 ALA 20 13.811 2.037 2.852
135 HA PRO 21 HA PRO 21 12.449 -0.043 -1.663
136 HB2 PRO 21 HB3 PRO 21 14.680 -1.628 -1.714
137 HB3 PRO 21 HB2 PRO 21 14.638 0.019 -2.420
138 HG2 PRO 21 HG3 PRO 21 15.628 -0.794 0.338
139 HG3 PRO 21 HG2 PRO 21 16.484 0.195 -0.890
140 HD2 PRO 21 HD3 PRO 21 15.098 1.356 1.130
141 HD3 PRO 21 HD2 PRO 21 15.052 2.053 -0.519
142 H LEU 22 H LEU 22 13.180 -0.737 1.656
143 HA LEU 22 HA LEU 22 11.439 -2.984 1.769
144 HB2 LEU 22 HB3 LEU 22 13.019 -4.681 2.453
145 HB3 LEU 22 HB2 LEU 22 13.371 -4.100 0.872
146 HG LEU 22 HG LEU 22 15.039 -2.462 2.375
147 HD11 LEU 22 HD11 LEU 22 14.579 -3.737 4.469
148 HD12 LEU 22 HD12 LEU 22 16.260 -3.924 3.946
149 HD13 LEU 22 HD13 LEU 22 15.079 -5.219 3.669
150 HD21 LEU 22 HD21 LEU 22 15.646 -5.200 1.217
151 HD22 LEU 22 HD22 LEU 22 16.844 -3.936 1.573
152 HD23 LEU 22 HD23 LEU 22 15.614 -3.669 0.316
153 H ALA 23 H ALA 23 12.016 -4.009 4.288
154 HA ALA 23 HA ALA 23 12.449 -1.817 6.143
155 HB1 ALA 23 HB1 ALA 23 10.080 -1.432 5.661
156 HB2 ALA 23 HB2 ALA 23 9.692 -3.137 5.970
157 HB3 ALA 23 HB3 ALA 23 10.260 -2.105 7.298
158 H ASP 24 H ASP 24 10.670 -4.889 6.338
159 HA ASP 24 HA ASP 24 12.724 -6.467 7.654
160 HB2 ASP 24 HB3 ASP 24 10.603 -7.502 5.771
161 HB3 ASP 24 HB2 ASP 24 11.267 -8.255 7.211
Start of MODEL 16
1 H1 GLY 1 H GLY 1 1.915 -0.193 0.294
2 HA2 GLY 1 HA3 GLY 1 0.923 1.376 -2.040
3 HA3 GLY 1 HA2 GLY 1 2.595 1.293 -1.491
4 HA PRO 2 HA PRO 2 2.203 -1.849 -4.892
5 HB2 PRO 2 HB3 PRO 2 3.493 -0.599 -6.930
6 HB3 PRO 2 HB2 PRO 2 1.815 -0.195 -6.495
7 HG2 PRO 2 HG3 PRO 2 4.347 1.253 -5.632
8 HG3 PRO 2 HG2 PRO 2 2.868 1.949 -6.369
9 HD2 PRO 2 HD3 PRO 2 3.300 1.895 -3.645
10 HD3 PRO 2 HD2 PRO 2 1.669 1.768 -4.368
11 H THR 3 H THR 3 3.706 -2.371 -2.773
12 HA THR 3 HA THR 3 6.445 -2.988 -3.760
13 HB THR 3 HB THR 3 5.671 -0.992 -1.793
14 HG1 THR 3 HG1 THR 3 7.808 -0.470 -2.078
15 HG21 THR 3 HG21 THR 3 7.177 -1.320 -0.041
16 HG22 THR 3 HG22 THR 3 7.849 -2.779 -0.745
17 HG23 THR 3 HG23 THR 3 6.180 -2.785 -0.095
18 HA PRO 4 HA PRO 4 5.469 -6.829 -1.852
19 HB2 PRO 4 HB3 PRO 4 7.876 -8.011 -1.235
20 HB3 PRO 4 HB2 PRO 4 7.267 -7.707 -2.883
21 HG2 PRO 4 HG3 PRO 4 9.220 -6.061 -1.280
22 HG3 PRO 4 HG2 PRO 4 9.335 -6.557 -2.988
23 HD2 PRO 4 HD3 PRO 4 8.457 -4.079 -2.285
24 HD3 PRO 4 HD2 PRO 4 7.783 -4.949 -3.680
25 H MET 5 H MET 5 6.448 -4.607 0.536
26 HA MET 5 HA MET 5 6.443 -6.647 2.733
27 HB2 MET 5 HB3 MET 5 7.393 -3.788 2.549
28 HB3 MET 5 HB2 MET 5 6.925 -4.441 4.103
29 HG2 MET 5 HG3 MET 5 9.290 -4.671 3.851
30 HG3 MET 5 HG2 MET 5 8.529 -6.246 3.953
31 HE1 MET 5 HE1 MET 5 8.615 -4.419 0.251
32 HE2 MET 5 HE2 MET 5 9.559 -3.524 1.452
33 HE3 MET 5 HE3 MET 5 10.381 -4.410 0.137
34 H VAL 6 H VAL 6 5.119 -6.260 4.682
35 HA VAL 6 HA VAL 6 2.428 -5.342 3.836
36 HB VAL 6 HB VAL 6 2.700 -7.664 4.513
37 HG11 VAL 6 HG11 VAL 6 4.380 -7.452 6.314
38 HG12 VAL 6 HG12 VAL 6 3.190 -6.613 7.333
39 HG13 VAL 6 HG13 VAL 6 2.931 -8.307 6.864
40 HG21 VAL 6 HG21 VAL 6 0.862 -6.172 6.414
41 HG22 VAL 6 HG22 VAL 6 0.515 -6.496 4.695
42 HG23 VAL 6 HG23 VAL 6 0.709 -7.835 5.833
43 H GLY 7 H GLY 7 1.127 -3.954 4.964
44 HA2 GLY 7 HA3 GLY 7 0.518 -2.604 6.882
45 HA3 GLY 7 HA2 GLY 7 2.220 -2.525 7.357
46 H LEU 8 H LEU 8 1.482 -0.218 7.469
47 HA LEU 8 HA LEU 8 1.614 1.939 6.944
48 HB2 LEU 8 HB3 LEU 8 3.883 0.711 6.103
49 HB3 LEU 8 HB2 LEU 8 3.414 1.489 4.618
50 HG LEU 8 HG LEU 8 4.991 2.830 5.685
51 HD11 LEU 8 HD11 LEU 8 2.429 4.262 6.378
52 HD12 LEU 8 HD12 LEU 8 3.062 4.088 4.726
53 HD13 LEU 8 HD13 LEU 8 4.003 4.958 5.944
54 HD21 LEU 8 HD21 LEU 8 4.812 3.749 7.947
55 HD22 LEU 8 HD22 LEU 8 4.927 1.983 7.940
56 HD23 LEU 8 HD23 LEU 8 3.358 2.770 8.235
57 H ASP 9 H ASP 9 0.817 0.149 4.031
58 HA ASP 9 HA ASP 9 0.269 2.261 2.255
59 HB2 ASP 9 HB2 ASP 9 0.780 -0.366 2.059
60 HB3 ASP 9 HB3 ASP 9 -0.948 -0.473 1.908
61 H SER 10 H SER 10 -1.130 2.895 4.427
62 HA SER 10 HA SER 10 -3.702 2.050 4.976
63 HB2 SER 10 HB3 SER 10 -2.570 4.817 5.504
64 HB3 SER 10 HB2 SER 10 -3.787 3.963 6.461
65 HG SER 10 HG SER 10 -1.018 3.378 6.181
66 H VAL 11 H VAL 11 -3.130 3.517 2.168
67 HA VAL 11 HA VAL 11 -5.870 4.598 1.861
68 HB VAL 11 HB VAL 11 -3.471 6.190 0.859
69 HG11 VAL 11 HG11 VAL 11 -5.138 7.871 0.211
70 HG12 VAL 11 HG12 VAL 11 -5.476 6.346 -0.596
71 HG13 VAL 11 HG13 VAL 11 -6.454 6.827 0.801
72 HG21 VAL 11 HG21 VAL 11 -5.373 6.835 3.148
73 HG22 VAL 11 HG22 VAL 11 -3.626 6.531 3.265
74 HG23 VAL 11 HG23 VAL 11 -4.201 7.971 2.425
75 H SER 12 H SER 12 -2.730 4.028 0.149
76 HA SER 12 HA SER 12 -3.826 3.481 -2.360
77 HB2 SER 12 HB3 SER 12 -1.236 2.360 -1.312
78 HB3 SER 12 HB2 SER 12 -1.651 2.788 -2.975
79 HG SER 12 HG SER 12 -0.517 4.212 -1.059
80 H GLY 13 H GLY 13 -3.693 1.354 0.400
81 HA2 GLY 13 HA3 GLY 13 -5.413 -0.214 0.673
82 HA3 GLY 13 HA2 GLY 13 -5.658 -0.262 -1.070
83 H GLN 14 H GLN 14 -2.415 -0.775 -0.069
84 HA GLN 14 HA GLN 14 -2.579 -3.649 -0.788
85 HB2 GLN 14 HB3 GLN 14 -2.030 -1.296 -2.355
86 HB3 GLN 14 HB2 GLN 14 -0.550 -2.146 -2.259
87 HG2 GLN 14 HG3 GLN 14 -3.129 -3.510 -3.100
88 HG3 GLN 14 HG2 GLN 14 -2.118 -2.596 -4.209
89 HE21 GLN 14 HE21 GLN 14 0.550 -3.464 -3.173
90 HE22 GLN 14 HE22 GLN 14 0.563 -5.154 -3.704
91 H TYR 15 H TYR 15 0.572 -2.175 -0.910
92 HA TYR 15 HA TYR 15 1.413 -3.523 1.608
93 HB2 TYR 15 HB3 TYR 15 2.108 -4.164 -1.254
94 HB3 TYR 15 HB2 TYR 15 3.120 -4.696 0.077
95 HD1 TYR 15 HD2 TYR 15 1.019 -5.584 2.073
96 HD2 TYR 15 HD1 TYR 15 1.475 -6.226 -2.150
97 HE1 TYR 15 HE2 TYR 15 -0.237 -7.713 2.268
98 HE2 TYR 15 HE1 TYR 15 0.168 -8.347 -1.970
99 HH TYR 15 HH TYR 15 -1.017 -9.529 1.171
100 H TRP 16 H TRP 16 2.317 -1.888 2.628
101 HA TRP 16 HA TRP 16 3.708 -0.249 3.282
102 HB2 TRP 16 HB3 TRP 16 4.788 -2.408 3.410
103 HB3 TRP 16 HB2 TRP 16 5.617 -2.100 1.902
104 HD1 TRP 16 HD1 TRP 16 7.759 -0.585 2.031
105 HE1 TRP 16 HE1 TRP 16 9.324 -0.045 3.994
106 HE3 TRP 16 HE3 TRP 16 4.647 -1.725 5.915
107 HZ2 TRP 16 HZ2 TRP 16 9.115 0.223 6.874
108 HZ3 TRP 16 HZ3 TRP 16 5.345 -1.319 8.265
109 HH2 TRP 16 HH2 TRP 16 7.557 -0.312 8.758
110 H ASP 17 H ASP 17 2.743 1.415 1.973
111 HA ASP 17 HA ASP 17 3.993 2.786 -0.188
112 HB2 ASP 17 HB3 ASP 17 2.176 3.514 2.114
113 HB3 ASP 17 HB2 ASP 17 2.890 4.825 1.216
114 H GLN 18 H GLN 18 5.845 1.992 2.293
115 HA GLN 18 HA GLN 18 6.693 4.615 3.292
116 HB2 GLN 18 HB3 GLN 18 6.671 2.109 4.383
117 HB3 GLN 18 HB2 GLN 18 8.334 2.189 3.820
118 HG2 GLN 18 HG3 GLN 18 7.566 4.613 5.316
119 HG3 GLN 18 HG2 GLN 18 7.265 3.145 6.234
120 HE21 GLN 18 HE21 GLN 18 8.974 2.330 7.374
121 HE22 GLN 18 HE22 GLN 18 10.654 2.734 7.043
122 H HIS 19 H HIS 19 8.557 5.639 2.835
123 HA HIS 19 HA HIS 19 9.646 5.511 0.253
124 HB2 HIS 19 HB3 HIS 19 10.950 7.405 0.856
125 HB3 HIS 19 HB2 HIS 19 9.407 7.546 1.675
126 HD1 HIS 19 HD1 HIS 19 10.837 5.306 4.032
127 HD2 HIS 19 HD2 HIS 19 11.888 9.187 2.697
128 HE1 HIS 19 HE1 HIS 19 12.298 6.295 5.847
129 HE2 HIS 19 HE2 HIS 19 12.948 8.687 5.064
130 H ALA 20 H ALA 20 10.371 2.906 1.370
131 HA ALA 20 HA ALA 20 13.330 2.994 1.116
132 HB1 ALA 20 HB1 ALA 20 11.790 1.493 3.278
133 HB2 ALA 20 HB2 ALA 20 13.539 1.429 3.021
134 HB3 ALA 20 HB3 ALA 20 12.781 2.944 3.543
135 HA PRO 21 HA PRO 21 12.462 -0.320 -1.685
136 HB2 PRO 21 HB3 PRO 21 14.797 -1.751 -1.745
137 HB3 PRO 21 HB2 PRO 21 14.653 -0.095 -2.411
138 HG2 PRO 21 HG3 PRO 21 15.697 -0.920 0.319
139 HG3 PRO 21 HG2 PRO 21 16.456 0.195 -0.862
140 HD2 PRO 21 HD3 PRO 21 14.968 1.111 1.222
141 HD3 PRO 21 HD2 PRO 21 14.906 1.911 -0.376
142 H LEU 22 H LEU 22 13.550 -1.145 1.541
143 HA LEU 22 HA LEU 22 11.551 -3.148 1.844
144 HB2 LEU 22 HB3 LEU 22 12.958 -4.999 2.556
145 HB3 LEU 22 HB2 LEU 22 13.276 -4.571 0.896
146 HG LEU 22 HG LEU 22 15.170 -3.029 2.340
147 HD11 LEU 22 HD11 LEU 22 14.706 -4.362 4.385
148 HD12 LEU 22 HD12 LEU 22 16.340 -4.663 3.761
149 HD13 LEU 22 HD13 LEU 22 15.041 -5.846 3.494
150 HD21 LEU 22 HD21 LEU 22 15.523 -4.175 0.185
151 HD22 LEU 22 HD22 LEU 22 15.533 -5.742 1.028
152 HD23 LEU 22 HD23 LEU 22 16.810 -4.548 1.354
153 H ALA 23 H ALA 23 11.761 -4.036 4.195
154 HA ALA 23 HA ALA 23 12.876 -2.153 6.145
155 HB1 ALA 23 HB1 ALA 23 9.864 -2.498 5.817
156 HB2 ALA 23 HB2 ALA 23 10.671 -1.612 7.124
157 HB3 ALA 23 HB3 ALA 23 10.797 -1.019 5.452
158 H ASP 24 H ASP 24 12.200 -5.278 5.270
159 HA ASP 24 HA ASP 24 12.402 -6.539 7.824
160 HB2 ASP 24 HB3 ASP 24 9.886 -6.184 7.132
161 HB3 ASP 24 HB2 ASP 24 10.231 -7.285 5.816
Start of MODEL 17
1 H1 GLY 1 H GLY 1 0.972 2.065 0.633
2 HA2 GLY 1 HA3 GLY 1 0.183 1.108 -1.701
3 HA3 GLY 1 HA2 GLY 1 1.596 2.076 -1.455
4 HA PRO 2 HA PRO 2 2.590 -1.703 -3.861
5 HB2 PRO 2 HB3 PRO 2 3.864 -0.640 -5.985
6 HB3 PRO 2 HB2 PRO 2 2.095 -0.516 -5.760
7 HG2 PRO 2 HG3 PRO 2 4.209 1.553 -5.082
8 HG3 PRO 2 HG2 PRO 2 2.685 1.794 -5.987
9 HD2 PRO 2 HD3 PRO 2 2.940 2.321 -3.293
10 HD3 PRO 2 HD2 PRO 2 1.403 1.753 -4.012
11 H THR 3 H THR 3 3.995 -2.604 -2.287
12 HA THR 3 HA THR 3 6.808 -2.697 -3.127
13 HB THR 3 HB THR 3 5.785 -1.730 -0.472
14 HG1 THR 3 HG1 THR 3 6.534 -0.404 -2.210
15 HG21 THR 3 HG21 THR 3 8.680 -2.621 -0.718
16 HG22 THR 3 HG22 THR 3 7.433 -3.501 0.230
17 HG23 THR 3 HG23 THR 3 7.900 -1.857 0.638
18 HA PRO 4 HA PRO 4 5.893 -7.000 -1.893
19 HB2 PRO 4 HB3 PRO 4 8.328 -8.019 -1.053
20 HB3 PRO 4 HB2 PRO 4 7.916 -7.648 -2.746
21 HG2 PRO 4 HG3 PRO 4 9.358 -5.845 -0.763
22 HG3 PRO 4 HG2 PRO 4 9.908 -6.349 -2.400
23 HD2 PRO 4 HD3 PRO 4 8.664 -4.016 -2.175
24 HD3 PRO 4 HD2 PRO 4 8.148 -5.122 -3.451
25 H MET 5 H MET 5 5.726 -4.878 0.535
26 HA MET 5 HA MET 5 6.291 -6.839 2.728
27 HB2 MET 5 HB3 MET 5 7.962 -4.878 2.335
28 HB3 MET 5 HB2 MET 5 6.727 -3.864 3.061
29 HG2 MET 5 HG3 MET 5 8.443 -4.592 4.667
30 HG3 MET 5 HG2 MET 5 6.848 -5.172 5.131
31 HE1 MET 5 HE1 MET 5 10.505 -6.116 4.039
32 HE2 MET 5 HE2 MET 5 10.360 -7.817 3.583
33 HE3 MET 5 HE3 MET 5 9.648 -6.570 2.547
34 H VAL 6 H VAL 6 5.140 -5.714 4.971
35 HA VAL 6 HA VAL 6 2.339 -5.122 4.086
36 HB VAL 6 HB VAL 6 2.619 -7.524 4.464
37 HG11 VAL 6 HG11 VAL 6 2.968 -6.824 7.410
38 HG12 VAL 6 HG12 VAL 6 2.757 -8.442 6.711
39 HG13 VAL 6 HG13 VAL 6 4.214 -7.511 6.348
40 HG21 VAL 6 HG21 VAL 6 0.444 -6.369 4.643
41 HG22 VAL 6 HG22 VAL 6 0.548 -7.788 5.689
42 HG23 VAL 6 HG23 VAL 6 0.696 -6.168 6.395
43 H GLY 7 H GLY 7 1.202 -3.754 5.108
44 HA2 GLY 7 HA3 GLY 7 0.550 -2.542 7.201
45 HA3 GLY 7 HA2 GLY 7 2.274 -2.410 7.563
46 H LEU 8 H LEU 8 1.657 -0.156 7.707
47 HA LEU 8 HA LEU 8 1.819 1.980 7.126
48 HB2 LEU 8 HB3 LEU 8 3.864 0.762 5.903
49 HB3 LEU 8 HB2 LEU 8 3.072 1.371 4.478
50 HG LEU 8 HG LEU 8 4.729 2.937 5.051
51 HD11 LEU 8 HD11 LEU 8 2.575 4.069 4.518
52 HD12 LEU 8 HD12 LEU 8 3.635 5.023 5.566
53 HD13 LEU 8 HD13 LEU 8 2.232 4.190 6.258
54 HD21 LEU 8 HD21 LEU 8 3.702 2.907 7.914
55 HD22 LEU 8 HD22 LEU 8 5.016 3.919 7.292
56 HD23 LEU 8 HD23 LEU 8 5.187 2.150 7.316
57 H ASP 9 H ASP 9 0.898 0.479 4.001
58 HA ASP 9 HA ASP 9 0.356 2.642 2.555
59 HB2 ASP 9 HB2 ASP 9 -1.372 0.172 2.587
60 HB3 ASP 9 HB3 ASP 9 -1.650 1.480 1.466
61 H SER 10 H SER 10 -2.335 1.355 4.456
62 HA SER 10 HA SER 10 -4.280 2.208 5.265
63 HB2 SER 10 HB3 SER 10 -2.769 4.842 5.409
64 HB3 SER 10 HB2 SER 10 -4.220 4.374 6.319
65 HG SER 10 HG SER 10 -1.619 3.250 6.458
66 H VAL 11 H VAL 11 -3.125 3.831 2.467
67 HA VAL 11 HA VAL 11 -5.869 4.703 1.647
68 HB VAL 11 HB VAL 11 -3.287 6.214 1.060
69 HG11 VAL 11 HG11 VAL 11 -4.822 7.998 0.376
70 HG12 VAL 11 HG12 VAL 11 -5.199 6.525 -0.523
71 HG13 VAL 11 HG13 VAL 11 -6.223 7.008 0.843
72 HG21 VAL 11 HG21 VAL 11 -3.628 6.399 3.463
73 HG22 VAL 11 HG22 VAL 11 -4.084 7.916 2.691
74 HG23 VAL 11 HG23 VAL 11 -5.351 6.779 3.227
75 H SER 12 H SER 12 -2.520 4.276 0.297
76 HA SER 12 HA SER 12 -3.593 3.261 -2.229
77 HB2 SER 12 HB3 SER 12 -1.502 4.636 -2.093
78 HB3 SER 12 HB2 SER 12 -0.715 3.272 -1.271
79 HG SER 12 HG SER 12 -1.382 1.989 -3.063
80 H GLY 13 H GLY 13 -4.409 1.754 0.064
81 HA2 GLY 13 HA3 GLY 13 -3.259 -0.347 1.224
82 HA3 GLY 13 HA2 GLY 13 -4.886 -0.451 0.566
83 H GLN 14 H GLN 14 -1.536 -1.439 0.141
84 HA GLN 14 HA GLN 14 -2.458 -3.670 -1.512
85 HB2 GLN 14 HB3 GLN 14 -1.815 -1.614 -2.947
86 HB3 GLN 14 HB2 GLN 14 -0.159 -1.953 -2.534
87 HG2 GLN 14 HG3 GLN 14 -2.080 -3.912 -3.891
88 HG3 GLN 14 HG2 GLN 14 -1.042 -2.792 -4.753
89 HE21 GLN 14 HE21 GLN 14 1.393 -3.117 -3.101
90 HE22 GLN 14 HE22 GLN 14 1.917 -4.747 -3.515
91 H TYR 15 H TYR 15 0.895 -2.541 -0.895
92 HA TYR 15 HA TYR 15 1.389 -4.337 1.292
93 HB2 TYR 15 HB3 TYR 15 2.308 -5.120 -1.477
94 HB3 TYR 15 HB2 TYR 15 3.181 -5.660 -0.086
95 HD1 TYR 15 HD2 TYR 15 1.527 -6.667 1.891
96 HD2 TYR 15 HD1 TYR 15 0.859 -6.711 -2.361
97 HE1 TYR 15 HE2 TYR 15 -0.008 -8.624 2.146
98 HE2 TYR 15 HE1 TYR 15 -0.694 -8.615 -2.110
99 HH TYR 15 HH TYR 15 -1.680 -10.017 -0.672
100 H TRP 16 H TRP 16 1.701 -1.719 1.309
101 HA TRP 16 HA TRP 16 3.087 -0.582 2.781
102 HB2 TRP 16 HB3 TRP 16 4.565 -2.528 2.971
103 HB3 TRP 16 HB2 TRP 16 5.466 -1.999 1.572
104 HD1 TRP 16 HD1 TRP 16 7.181 -0.099 1.758
105 HE1 TRP 16 HE1 TRP 16 8.740 0.352 3.736
106 HE3 TRP 16 HE3 TRP 16 4.355 -2.099 5.499
107 HZ2 TRP 16 HZ2 TRP 16 8.647 0.112 6.646
108 HZ3 TRP 16 HZ3 TRP 16 5.120 -2.027 7.865
109 HH2 TRP 16 HH2 TRP 16 7.262 -0.902 8.447
110 H ASP 17 H ASP 17 3.472 1.526 2.594
111 HA ASP 17 HA ASP 17 3.868 2.726 -0.111
112 HB2 ASP 17 HB3 ASP 17 2.279 3.314 2.279
113 HB3 ASP 17 HB2 ASP 17 3.159 4.726 1.805
114 H GLN 18 H GLN 18 5.960 2.111 2.394
115 HA GLN 18 HA GLN 18 6.696 4.810 3.055
116 HB2 GLN 18 HB3 GLN 18 6.956 2.471 4.349
117 HB3 GLN 18 HB2 GLN 18 8.586 2.569 3.657
118 HG2 GLN 18 HG3 GLN 18 8.227 5.105 4.762
119 HG3 GLN 18 HG2 GLN 18 7.297 4.087 5.861
120 HE21 GLN 18 HE21 GLN 18 8.569 2.140 6.873
121 HE22 GLN 18 HE22 GLN 18 10.320 2.345 6.939
122 H HIS 19 H HIS 19 8.709 5.860 2.849
123 HA HIS 19 HA HIS 19 9.799 6.028 0.269
124 HB2 HIS 19 HB3 HIS 19 11.123 7.790 1.093
125 HB3 HIS 19 HB2 HIS 19 9.627 7.853 2.000
126 HD1 HIS 19 HD1 HIS 19 10.937 5.355 4.111
127 HD2 HIS 19 HD2 HIS 19 12.454 9.140 2.955
128 HE1 HIS 19 HE1 HIS 19 12.608 5.974 5.850
129 HE2 HIS 19 HE2 HIS 19 13.567 8.299 5.196
130 H ALA 20 H ALA 20 10.388 3.283 1.196
131 HA ALA 20 HA ALA 20 13.236 3.150 0.559
132 HB1 ALA 20 HB1 ALA 20 13.219 3.229 3.054
133 HB2 ALA 20 HB2 ALA 20 12.098 1.844 3.084
134 HB3 ALA 20 HB3 ALA 20 13.743 1.644 2.461
135 HA PRO 21 HA PRO 21 11.528 0.024 -1.974
136 HB2 PRO 21 HB3 PRO 21 13.623 -1.651 -2.545
137 HB3 PRO 21 HB2 PRO 21 13.566 0.058 -3.075
138 HG2 PRO 21 HG3 PRO 21 14.946 -1.072 -0.612
139 HG3 PRO 21 HG2 PRO 21 15.640 -0.002 -1.874
140 HD2 PRO 21 HD3 PRO 21 14.679 1.008 0.448
141 HD3 PRO 21 HD2 PRO 21 14.404 1.866 -1.102
142 H LEU 22 H LEU 22 12.422 -0.880 1.127
143 HA LEU 22 HA LEU 22 10.608 -3.021 1.386
144 HB2 LEU 22 HB3 LEU 22 12.256 -4.751 2.181
145 HB3 LEU 22 HB2 LEU 22 12.240 -4.457 0.464
146 HG LEU 22 HG LEU 22 14.330 -3.114 0.645
147 HD11 LEU 22 HD11 LEU 22 14.340 -4.056 3.541
148 HD12 LEU 22 HD12 LEU 22 14.286 -2.355 2.989
149 HD13 LEU 22 HD13 LEU 22 15.719 -3.346 2.698
150 HD21 LEU 22 HD21 LEU 22 15.804 -5.038 1.025
151 HD22 LEU 22 HD22 LEU 22 14.362 -5.522 0.106
152 HD23 LEU 22 HD23 LEU 22 14.487 -5.902 1.836
153 H ALA 23 H ALA 23 11.374 -3.984 3.836
154 HA ALA 23 HA ALA 23 12.450 -1.845 5.505
155 HB1 ALA 23 HB1 ALA 23 10.119 -1.177 5.384
156 HB2 ALA 23 HB2 ALA 23 9.587 -2.784 5.937
157 HB3 ALA 23 HB3 ALA 23 10.512 -1.728 7.028
158 H ASP 24 H ASP 24 12.162 -5.086 4.817
159 HA ASP 24 HA ASP 24 13.795 -5.961 6.978
160 HB2 ASP 24 HB3 ASP 24 11.269 -6.568 7.430
161 HB3 ASP 24 HB2 ASP 24 11.424 -7.631 6.046
Start of MODEL 18
1 H1 GLY 1 H GLY 1 0.935 2.248 0.590
2 HA2 GLY 1 HA3 GLY 1 0.297 1.440 -1.727
3 HA3 GLY 1 HA2 GLY 1 1.861 2.177 -1.426
4 HA PRO 2 HA PRO 2 2.016 -1.690 -3.890
5 HB2 PRO 2 HB3 PRO 2 2.830 -0.804 -6.308
6 HB3 PRO 2 HB2 PRO 2 1.195 -0.471 -5.677
7 HG2 PRO 2 HG3 PRO 2 3.636 1.329 -5.538
8 HG3 PRO 2 HG2 PRO 2 2.005 1.745 -6.147
9 HD2 PRO 2 HD3 PRO 2 2.795 2.296 -3.577
10 HD3 PRO 2 HD2 PRO 2 1.116 1.837 -3.968
11 H THR 3 H THR 3 3.762 -2.315 -2.281
12 HA THR 3 HA THR 3 6.169 -2.918 -3.871
13 HB THR 3 HB THR 3 6.207 -0.892 -2.022
14 HG1 THR 3 HG1 THR 3 8.345 -0.969 -2.371
15 HG21 THR 3 HG21 THR 3 7.532 -1.354 -0.189
16 HG22 THR 3 HG22 THR 3 7.851 -3.015 -0.649
17 HG23 THR 3 HG23 THR 3 6.241 -2.558 -0.084
18 HA PRO 4 HA PRO 4 5.432 -6.841 -1.817
19 HB2 PRO 4 HB3 PRO 4 7.804 -8.105 -1.406
20 HB3 PRO 4 HB2 PRO 4 7.180 -7.655 -3.014
21 HG2 PRO 4 HG3 PRO 4 9.174 -6.143 -1.305
22 HG3 PRO 4 HG2 PRO 4 9.317 -6.598 -3.027
23 HD2 PRO 4 HD3 PRO 4 8.477 -4.138 -2.278
24 HD3 PRO 4 HD2 PRO 4 7.785 -4.947 -3.702
25 H MET 5 H MET 5 6.054 -4.615 0.463
26 HA MET 5 HA MET 5 6.499 -6.557 2.723
27 HB2 MET 5 HB3 MET 5 7.245 -3.706 2.302
28 HB3 MET 5 HB2 MET 5 6.577 -4.070 3.884
29 HG2 MET 5 HG3 MET 5 8.938 -4.198 4.005
30 HG3 MET 5 HG2 MET 5 8.243 -5.776 4.303
31 HE1 MET 5 HE1 MET 5 9.473 -3.538 1.374
32 HE2 MET 5 HE2 MET 5 10.388 -4.667 0.339
33 HE3 MET 5 HE3 MET 5 8.620 -4.741 0.393
34 H VAL 6 H VAL 6 5.123 -6.110 4.778
35 HA VAL 6 HA VAL 6 2.352 -5.376 3.910
36 HB VAL 6 HB VAL 6 2.709 -7.729 4.382
37 HG11 VAL 6 HG11 VAL 6 3.063 -6.928 7.301
38 HG12 VAL 6 HG12 VAL 6 2.926 -8.572 6.651
39 HG13 VAL 6 HG13 VAL 6 4.337 -7.581 6.258
40 HG21 VAL 6 HG21 VAL 6 0.675 -8.022 5.654
41 HG22 VAL 6 HG22 VAL 6 0.777 -6.372 6.298
42 HG23 VAL 6 HG23 VAL 6 0.500 -6.644 4.559
43 H GLY 7 H GLY 7 1.250 -3.824 4.807
44 HA2 GLY 7 HA3 GLY 7 0.518 -2.695 6.926
45 HA3 GLY 7 HA2 GLY 7 2.224 -2.562 7.352
46 H LEU 8 H LEU 8 1.892 -0.348 7.530
47 HA LEU 8 HA LEU 8 1.969 1.818 7.083
48 HB2 LEU 8 HB3 LEU 8 3.995 0.647 5.785
49 HB3 LEU 8 HB2 LEU 8 3.230 1.392 4.405
50 HG LEU 8 HG LEU 8 4.951 2.815 5.143
51 HD11 LEU 8 HD11 LEU 8 2.507 4.136 6.365
52 HD12 LEU 8 HD12 LEU 8 2.822 4.044 4.619
53 HD13 LEU 8 HD13 LEU 8 3.942 4.911 5.672
54 HD21 LEU 8 HD21 LEU 8 5.227 3.670 7.409
55 HD22 LEU 8 HD22 LEU 8 5.254 1.890 7.403
56 HD23 LEU 8 HD23 LEU 8 3.812 2.769 7.966
57 H ASP 9 H ASP 9 0.974 0.479 3.917
58 HA ASP 9 HA ASP 9 0.413 2.742 2.542
59 HB2 ASP 9 HB2 ASP 9 -1.285 0.236 2.502
60 HB3 ASP 9 HB3 ASP 9 -1.530 1.584 1.406
61 H SER 10 H SER 10 -2.180 1.319 4.486
62 HA SER 10 HA SER 10 -4.107 2.129 5.394
63 HB2 SER 10 HB3 SER 10 -2.699 4.806 5.517
64 HB3 SER 10 HB2 SER 10 -4.042 4.227 6.518
65 HG SER 10 HG SER 10 -1.371 3.256 6.419
66 H VAL 11 H VAL 11 -3.126 3.731 2.571
67 HA VAL 11 HA VAL 11 -5.871 4.655 1.852
68 HB VAL 11 HB VAL 11 -3.263 6.108 1.218
69 HG11 VAL 11 HG11 VAL 11 -6.177 6.987 1.068
70 HG12 VAL 11 HG12 VAL 11 -4.753 7.950 0.595
71 HG13 VAL 11 HG13 VAL 11 -5.181 6.500 -0.324
72 HG21 VAL 11 HG21 VAL 11 -3.979 7.812 2.899
73 HG22 VAL 11 HG22 VAL 11 -5.240 6.684 3.462
74 HG23 VAL 11 HG23 VAL 11 -3.514 6.275 3.619
75 H SER 12 H SER 12 -2.580 4.157 0.426
76 HA SER 12 HA SER 12 -3.638 3.390 -2.167
77 HB2 SER 12 HB3 SER 12 -1.468 4.541 -1.869
78 HB3 SER 12 HB2 SER 12 -0.832 3.101 -1.061
79 HG SER 12 HG SER 12 -1.634 1.990 -3.056
80 H GLY 13 H GLY 13 -4.192 1.742 0.362
81 HA2 GLY 13 HA3 GLY 13 -3.792 -0.572 1.145
82 HA3 GLY 13 HA2 GLY 13 -5.231 -0.434 0.149
83 H GLN 14 H GLN 14 -1.749 -1.287 -0.064
84 HA GLN 14 HA GLN 14 -2.480 -3.641 -1.664
85 HB2 GLN 14 HB3 GLN 14 -1.761 -1.492 -3.020
86 HB3 GLN 14 HB2 GLN 14 -0.138 -1.915 -2.564
87 HG2 GLN 14 HG3 GLN 14 -2.128 -3.716 -4.028
88 HG3 GLN 14 HG2 GLN 14 -0.942 -2.686 -4.812
89 HE21 GLN 14 HE21 GLN 14 1.434 -3.251 -3.219
90 HE22 GLN 14 HE22 GLN 14 1.766 -4.926 -3.571
91 H TYR 15 H TYR 15 0.758 -2.345 -0.883
92 HA TYR 15 HA TYR 15 1.313 -4.093 1.320
93 HB2 TYR 15 HB3 TYR 15 2.222 -4.909 -1.430
94 HB3 TYR 15 HB2 TYR 15 3.154 -5.362 -0.045
95 HD1 TYR 15 HD2 TYR 15 1.685 -6.470 1.938
96 HD2 TYR 15 HD1 TYR 15 0.775 -6.526 -2.256
97 HE1 TYR 15 HE2 TYR 15 0.257 -8.513 2.265
98 HE2 TYR 15 HE1 TYR 15 -0.639 -8.524 -1.952
99 HH TYR 15 HH TYR 15 -1.497 -9.974 -0.464
100 H TRP 16 H TRP 16 1.756 -1.868 1.916
101 HA TRP 16 HA TRP 16 3.259 -0.573 3.014
102 HB2 TRP 16 HB3 TRP 16 4.312 -2.659 3.345
103 HB3 TRP 16 HB2 TRP 16 5.257 -2.491 1.882
104 HD1 TRP 16 HD1 TRP 16 7.337 -0.880 1.945
105 HE1 TRP 16 HE1 TRP 16 8.909 -0.337 3.911
106 HE3 TRP 16 HE3 TRP 16 4.293 -2.129 5.830
107 HZ2 TRP 16 HZ2 TRP 16 8.680 -0.012 6.791
108 HZ3 TRP 16 HZ3 TRP 16 4.987 -1.718 8.184
109 HH2 TRP 16 HH2 TRP 16 7.166 -0.635 8.668
110 H ASP 17 H ASP 17 2.919 1.372 2.238
111 HA ASP 17 HA ASP 17 4.040 2.690 -0.005
112 HB2 ASP 17 HB3 ASP 17 2.366 3.293 2.341
113 HB3 ASP 17 HB2 ASP 17 3.342 4.655 1.950
114 H GLN 18 H GLN 18 6.107 1.734 2.376
115 HA GLN 18 HA GLN 18 7.055 4.305 3.301
116 HB2 GLN 18 HB3 GLN 18 7.335 2.091 4.509
117 HB3 GLN 18 HB2 GLN 18 8.653 1.736 3.366
118 HG2 GLN 18 HG3 GLN 18 9.439 2.575 5.578
119 HG3 GLN 18 HG2 GLN 18 9.985 3.548 4.211
120 HE21 GLN 18 HE21 GLN 18 7.367 3.436 6.739
121 HE22 GLN 18 HE22 GLN 18 7.208 5.190 6.761
122 H HIS 19 H HIS 19 8.712 5.565 2.729
123 HA HIS 19 HA HIS 19 9.779 5.526 0.064
124 HB2 HIS 19 HB3 HIS 19 10.821 7.567 0.561
125 HB3 HIS 19 HB2 HIS 19 9.308 7.585 1.441
126 HD1 HIS 19 HD1 HIS 19 9.726 6.900 4.263
127 HD2 HIS 19 HD2 HIS 19 13.006 8.015 1.851
128 HE1 HIS 19 HE1 HIS 19 11.599 7.558 5.872
129 HE2 HIS 19 HE2 HIS 19 13.627 8.233 4.396
130 H ALA 20 H ALA 20 10.576 3.075 1.291
131 HA ALA 20 HA ALA 20 13.514 3.183 1.080
132 HB1 ALA 20 HB1 ALA 20 12.924 3.237 3.536
133 HB2 ALA 20 HB2 ALA 20 12.045 1.705 3.315
134 HB3 ALA 20 HB3 ALA 20 13.800 1.770 3.063
135 HA PRO 21 HA PRO 21 12.596 -0.166 -1.648
136 HB2 PRO 21 HB3 PRO 21 14.870 -1.701 -1.668
137 HB3 PRO 21 HB2 PRO 21 14.801 -0.047 -2.346
138 HG2 PRO 21 HG3 PRO 21 15.766 -0.899 0.403
139 HG3 PRO 21 HG2 PRO 21 16.588 0.175 -0.773
140 HD2 PRO 21 HD3 PRO 21 15.118 1.177 1.282
141 HD3 PRO 21 HD2 PRO 21 15.095 1.959 -0.329
142 H LEU 22 H LEU 22 13.480 -1.041 1.618
143 HA LEU 22 HA LEU 22 11.454 -3.024 1.782
144 HB2 LEU 22 HB3 LEU 22 12.842 -4.911 2.537
145 HB3 LEU 22 HB2 LEU 22 13.137 -4.481 0.879
146 HG LEU 22 HG LEU 22 15.092 -2.975 2.229
147 HD11 LEU 22 HD11 LEU 22 14.619 -4.169 4.350
148 HD12 LEU 22 HD12 LEU 22 16.232 -4.564 3.722
149 HD13 LEU 22 HD13 LEU 22 14.890 -5.714 3.540
150 HD21 LEU 22 HD21 LEU 22 15.359 -4.257 0.136
151 HD22 LEU 22 HD22 LEU 22 15.362 -5.766 1.076
152 HD23 LEU 22 HD23 LEU 22 16.669 -4.581 1.293
153 H ALA 23 H ALA 23 11.607 -4.018 4.129
154 HA ALA 23 HA ALA 23 12.688 -2.182 6.144
155 HB1 ALA 23 HB1 ALA 23 10.490 -1.691 7.127
156 HB2 ALA 23 HB2 ALA 23 10.577 -1.084 5.460
157 HB3 ALA 23 HB3 ALA 23 9.684 -2.585 5.825
158 H ASP 24 H ASP 24 12.073 -5.316 5.184
159 HA ASP 24 HA ASP 24 12.248 -6.607 7.747
160 HB2 ASP 24 HB3 ASP 24 9.739 -6.304 6.424
161 HB3 ASP 24 HB2 ASP 24 10.327 -7.847 5.863
Start of MODEL 19
1 H1 GLY 1 H GLY 1 1.239 1.916 0.798
2 HA2 GLY 1 HA3 GLY 1 0.473 1.381 -1.667
3 HA3 GLY 1 HA2 GLY 1 2.059 1.956 -1.246
4 HA PRO 2 HA PRO 2 2.198 -1.890 -3.789
5 HB2 PRO 2 HB3 PRO 2 3.066 -0.980 -6.169
6 HB3 PRO 2 HB2 PRO 2 1.401 -0.652 -5.585
7 HG2 PRO 2 HG3 PRO 2 3.828 1.184 -5.377
8 HG3 PRO 2 HG2 PRO 2 2.210 1.581 -6.042
9 HD2 PRO 2 HD3 PRO 2 2.924 2.119 -3.451
10 HD3 PRO 2 HD2 PRO 2 1.249 1.660 -3.898
11 H THR 3 H THR 3 3.906 -2.550 -2.195
12 HA THR 3 HA THR 3 6.355 -3.041 -3.737
13 HB THR 3 HB THR 3 6.326 -1.067 -1.744
14 HG1 THR 3 HG1 THR 3 8.364 -0.868 -2.365
15 HG21 THR 3 HG21 THR 3 8.285 -3.142 -0.783
16 HG22 THR 3 HG22 THR 3 6.705 -2.922 -0.010
17 HG23 THR 3 HG23 THR 3 7.870 -1.578 -0.102
18 HA PRO 4 HA PRO 4 5.901 -7.080 -1.897
19 HB2 PRO 4 HB3 PRO 4 8.459 -7.985 -1.229
20 HB3 PRO 4 HB2 PRO 4 7.766 -7.862 -2.864
21 HG2 PRO 4 HG3 PRO 4 9.558 -5.889 -1.436
22 HG3 PRO 4 HG2 PRO 4 9.690 -6.506 -3.109
23 HD2 PRO 4 HD3 PRO 4 8.579 -4.115 -2.636
24 HD3 PRO 4 HD2 PRO 4 7.862 -5.208 -3.838
25 H MET 5 H MET 5 5.860 -4.908 0.432
26 HA MET 5 HA MET 5 6.621 -6.719 2.718
27 HB2 MET 5 HB3 MET 5 7.197 -3.860 2.229
28 HB3 MET 5 HB2 MET 5 6.465 -4.135 3.785
29 HG2 MET 5 HG3 MET 5 8.803 -4.204 4.067
30 HG3 MET 5 HG2 MET 5 8.143 -5.799 4.380
31 HE1 MET 5 HE1 MET 5 9.483 -3.670 1.382
32 HE2 MET 5 HE2 MET 5 10.456 -4.853 0.462
33 HE3 MET 5 HE3 MET 5 8.689 -4.946 0.447
34 H VAL 6 H VAL 6 5.186 -5.476 4.854
35 HA VAL 6 HA VAL 6 2.457 -5.058 3.805
36 HB VAL 6 HB VAL 6 2.590 -7.468 4.320
37 HG11 VAL 6 HG11 VAL 6 2.607 -8.277 6.614
38 HG12 VAL 6 HG12 VAL 6 4.115 -7.421 6.274
39 HG13 VAL 6 HG13 VAL 6 2.855 -6.637 7.241
40 HG21 VAL 6 HG21 VAL 6 0.494 -7.630 5.452
41 HG22 VAL 6 HG22 VAL 6 0.671 -6.024 6.177
42 HG23 VAL 6 HG23 VAL 6 0.446 -6.196 4.416
43 H GLY 7 H GLY 7 1.187 -3.689 4.899
44 HA2 GLY 7 HA3 GLY 7 0.608 -2.399 6.909
45 HA3 GLY 7 HA2 GLY 7 2.333 -2.308 7.303
46 H LEU 8 H LEU 8 2.059 -0.066 7.384
47 HA LEU 8 HA LEU 8 1.997 2.070 6.875
48 HB2 LEU 8 HB3 LEU 8 4.119 0.877 5.555
49 HB3 LEU 8 HB2 LEU 8 3.442 1.895 4.315
50 HG LEU 8 HG LEU 8 5.267 2.958 5.489
51 HD11 LEU 8 HD11 LEU 8 2.684 4.385 6.170
52 HD12 LEU 8 HD12 LEU 8 3.552 4.456 4.625
53 HD13 LEU 8 HD13 LEU 8 4.299 5.106 6.092
54 HD21 LEU 8 HD21 LEU 8 3.634 2.758 8.038
55 HD22 LEU 8 HD22 LEU 8 5.116 3.677 7.842
56 HD23 LEU 8 HD23 LEU 8 5.145 1.920 7.669
57 H ASP 9 H ASP 9 0.970 0.530 3.832
58 HA ASP 9 HA ASP 9 0.263 2.733 2.331
59 HB2 ASP 9 HB2 ASP 9 -1.226 0.113 2.606
60 HB3 ASP 9 HB3 ASP 9 -1.731 1.357 1.485
61 H SER 10 H SER 10 -2.223 1.190 4.339
62 HA SER 10 HA SER 10 -4.184 1.864 5.234
63 HB2 SER 10 HB3 SER 10 -2.047 3.391 6.288
64 HB3 SER 10 HB2 SER 10 -3.410 4.501 6.138
65 HG SER 10 HG SER 10 -3.767 3.514 8.021
66 H VAL 11 H VAL 11 -3.297 3.587 2.652
67 HA VAL 11 HA VAL 11 -5.863 5.053 2.176
68 HB VAL 11 HB VAL 11 -2.980 5.920 1.624
69 HG11 VAL 11 HG11 VAL 11 -3.974 8.082 0.931
70 HG12 VAL 11 HG12 VAL 11 -4.455 6.758 -0.130
71 HG13 VAL 11 HG13 VAL 11 -5.600 7.372 1.086
72 HG21 VAL 11 HG21 VAL 11 -3.436 6.209 3.988
73 HG22 VAL 11 HG22 VAL 11 -3.442 7.783 3.201
74 HG23 VAL 11 HG23 VAL 11 -4.983 7.010 3.636
75 H SER 12 H SER 12 -2.837 3.889 0.677
76 HA SER 12 HA SER 12 -3.924 3.731 -1.998
77 HB2 SER 12 HB3 SER 12 -1.598 4.315 -1.386
78 HB3 SER 12 HB2 SER 12 -1.325 2.649 -0.852
79 HG SER 12 HG SER 12 -0.696 3.256 -3.052
80 H GLY 13 H GLY 13 -3.132 1.298 0.435
81 HA2 GLY 13 HA3 GLY 13 -4.083 -0.750 0.894
82 HA3 GLY 13 HA2 GLY 13 -5.242 -0.461 -0.403
83 H GLN 14 H GLN 14 -1.729 -1.403 -0.009
84 HA GLN 14 HA GLN 14 -2.268 -3.676 -1.751
85 HB2 GLN 14 HB3 GLN 14 -1.343 -1.414 -2.953
86 HB3 GLN 14 HB2 GLN 14 0.182 -2.140 -2.570
87 HG2 GLN 14 HG3 GLN 14 -2.091 -3.541 -4.051
88 HG3 GLN 14 HG2 GLN 14 -0.832 -2.623 -4.851
89 HE21 GLN 14 HE21 GLN 14 1.424 -3.751 -3.029
90 HE22 GLN 14 HE22 GLN 14 1.539 -5.348 -3.752
91 H TYR 15 H TYR 15 0.961 -2.481 -0.789
92 HA TYR 15 HA TYR 15 1.311 -4.297 1.395
93 HB2 TYR 15 HB3 TYR 15 2.141 -5.127 -1.384
94 HB3 TYR 15 HB2 TYR 15 3.110 -5.652 -0.071
95 HD1 TYR 15 HD2 TYR 15 1.373 -6.520 2.057
96 HD2 TYR 15 HD1 TYR 15 0.895 -6.933 -2.206
97 HE1 TYR 15 HE2 TYR 15 0.050 -8.601 2.402
98 HE2 TYR 15 HE1 TYR 15 -0.407 -9.007 -1.860
99 HH TYR 15 HH TYR 15 -1.038 -10.563 -0.334
100 H TRP 16 H TRP 16 1.793 -1.691 1.462
101 HA TRP 16 HA TRP 16 3.335 -0.658 2.931
102 HB2 TRP 16 HB3 TRP 16 4.693 -2.729 2.977
103 HB3 TRP 16 HB2 TRP 16 5.563 -2.116 1.584
104 HD1 TRP 16 HD1 TRP 16 7.602 -0.804 1.883
105 HE1 TRP 16 HE1 TRP 16 9.072 -0.268 3.911
106 HE3 TRP 16 HE3 TRP 16 4.307 -1.849 5.609
107 HZ2 TRP 16 HZ2 TRP 16 8.693 0.181 6.753
108 HZ3 TRP 16 HZ3 TRP 16 4.886 -1.395 7.991
109 HH2 TRP 16 HH2 TRP 16 7.057 -0.333 8.564
110 H ASP 17 H ASP 17 3.045 1.406 2.349
111 HA ASP 17 HA ASP 17 3.964 2.618 -0.143
112 HB2 ASP 17 HB3 ASP 17 2.246 3.339 2.155
113 HB3 ASP 17 HB2 ASP 17 3.191 4.693 1.630
114 H GLN 18 H GLN 18 5.956 1.854 2.345
115 HA GLN 18 HA GLN 18 6.853 4.429 3.246
116 HB2 GLN 18 HB3 GLN 18 7.175 2.199 4.415
117 HB3 GLN 18 HB2 GLN 18 8.465 1.871 3.237
118 HG2 GLN 18 HG3 GLN 18 9.287 2.637 5.470
119 HG3 GLN 18 HG2 GLN 18 9.852 3.595 4.106
120 HE21 GLN 18 HE21 GLN 18 7.313 3.609 6.703
121 HE22 GLN 18 HE22 GLN 18 7.232 5.368 6.712
122 H HIS 19 H HIS 19 8.605 5.641 2.805
123 HA HIS 19 HA HIS 19 9.674 5.729 0.136
124 HB2 HIS 19 HB3 HIS 19 10.569 7.767 0.695
125 HB3 HIS 19 HB2 HIS 19 9.181 7.670 1.757
126 HD1 HIS 19 HD1 HIS 19 9.913 6.971 4.454
127 HD2 HIS 19 HD2 HIS 19 12.912 8.084 1.706
128 HE1 HIS 19 HE1 HIS 19 12.019 7.528 5.855
129 HE2 HIS 19 HE2 HIS 19 13.858 8.198 4.154
130 H ALA 20 H ALA 20 10.416 3.205 1.307
131 HA ALA 20 HA ALA 20 13.378 3.270 1.252
132 HB1 ALA 20 HB1 ALA 20 12.868 3.235 3.626
133 HB2 ALA 20 HB2 ALA 20 11.624 1.982 3.389
134 HB3 ALA 20 HB3 ALA 20 13.329 1.585 3.167
135 HA PRO 21 HA PRO 21 12.666 0.040 -1.607
136 HB2 PRO 21 HB3 PRO 21 14.972 -1.433 -1.570
137 HB3 PRO 21 HB2 PRO 21 14.915 0.264 -2.137
138 HG2 PRO 21 HG3 PRO 21 15.700 -0.746 0.622
139 HG3 PRO 21 HG2 PRO 21 16.593 0.402 -0.428
140 HD2 PRO 21 HD3 PRO 21 14.957 1.272 1.557
141 HD3 PRO 21 HD2 PRO 21 15.043 2.138 -0.009
142 H LEU 22 H LEU 22 13.414 -0.969 1.663
143 HA LEU 22 HA LEU 22 11.340 -2.860 1.700
144 HB2 LEU 22 HB3 LEU 22 12.606 -4.879 2.326
145 HB3 LEU 22 HB2 LEU 22 12.887 -4.378 0.686
146 HG LEU 22 HG LEU 22 14.973 -3.106 2.102
147 HD11 LEU 22 HD11 LEU 22 14.613 -5.957 3.105
148 HD12 LEU 22 HD12 LEU 22 14.489 -4.500 4.092
149 HD13 LEU 22 HD13 LEU 22 16.045 -4.932 3.363
150 HD21 LEU 22 HD21 LEU 22 14.981 -5.736 0.576
151 HD22 LEU 22 HD22 LEU 22 16.411 -4.754 0.959
152 HD23 LEU 22 HD23 LEU 22 15.155 -4.114 -0.124
153 H ALA 23 H ALA 23 11.378 -3.969 4.014
154 HA ALA 23 HA ALA 23 12.606 -2.306 6.095
155 HB1 ALA 23 HB1 ALA 23 10.421 -1.659 7.073
156 HB2 ALA 23 HB2 ALA 23 10.651 -0.957 5.457
157 HB3 ALA 23 HB3 ALA 23 9.590 -2.381 5.683
158 H ASP 24 H ASP 24 11.729 -5.363 5.083
159 HA ASP 24 HA ASP 24 11.820 -6.623 7.655
160 HB2 ASP 24 HB3 ASP 24 9.326 -6.189 6.766
161 HB3 ASP 24 HB2 ASP 24 9.722 -7.475 5.641
Start of MODEL 20
1 H1 GLY 1 H GLY 1 1.019 -0.180 0.168
2 HA2 GLY 1 HA3 GLY 1 0.003 1.121 -2.180
3 HA3 GLY 1 HA2 GLY 1 1.384 1.984 -1.537
4 HA PRO 2 HA PRO 2 2.256 -1.585 -4.389
5 HB2 PRO 2 HB3 PRO 2 3.341 -0.417 -6.565
6 HB3 PRO 2 HB2 PRO 2 1.621 -0.224 -6.134
7 HG2 PRO 2 HG3 PRO 2 3.900 1.675 -5.470
8 HG3 PRO 2 HG2 PRO 2 2.359 2.068 -6.290
9 HD2 PRO 2 HD3 PRO 2 2.684 2.398 -3.597
10 HD3 PRO 2 HD2 PRO 2 1.128 1.849 -4.278
11 H THR 3 H THR 3 3.840 -2.142 -2.478
12 HA THR 3 HA THR 3 6.312 -2.815 -3.899
13 HB THR 3 HB THR 3 6.445 -0.725 -2.195
14 HG1 THR 3 HG1 THR 3 8.584 -1.023 -2.332
15 HG21 THR 3 HG21 THR 3 7.612 -1.180 -0.226
16 HG22 THR 3 HG22 THR 3 7.682 -2.922 -0.533
17 HG23 THR 3 HG23 THR 3 6.146 -2.157 -0.131
18 HA PRO 4 HA PRO 4 5.310 -6.673 -1.977
19 HB2 PRO 4 HB3 PRO 4 7.572 -8.055 -1.349
20 HB3 PRO 4 HB2 PRO 4 7.102 -7.583 -3.007
21 HG2 PRO 4 HG3 PRO 4 9.044 -6.188 -1.152
22 HG3 PRO 4 HG2 PRO 4 9.266 -6.609 -2.876
23 HD2 PRO 4 HD3 PRO 4 8.505 -4.125 -2.113
24 HD3 PRO 4 HD2 PRO 4 7.865 -4.869 -3.598
25 H MET 5 H MET 5 6.636 -4.709 0.545
26 HA MET 5 HA MET 5 6.402 -6.809 2.625
27 HB2 MET 5 HB3 MET 5 7.366 -3.953 2.584
28 HB3 MET 5 HB2 MET 5 6.843 -4.644 4.113
29 HG2 MET 5 HG3 MET 5 9.205 -4.918 3.925
30 HG3 MET 5 HG2 MET 5 8.407 -6.478 3.947
31 HE1 MET 5 HE1 MET 5 9.599 -3.703 1.664
32 HE2 MET 5 HE2 MET 5 10.470 -4.520 0.328
33 HE3 MET 5 HE3 MET 5 8.696 -4.478 0.352
34 H VAL 6 H VAL 6 5.154 -6.220 4.738
35 HA VAL 6 HA VAL 6 2.403 -5.366 3.888
36 HB VAL 6 HB VAL 6 2.662 -7.739 4.363
37 HG11 VAL 6 HG11 VAL 6 4.317 -7.699 6.208
38 HG12 VAL 6 HG12 VAL 6 3.117 -6.953 7.274
39 HG13 VAL 6 HG13 VAL 6 2.854 -8.587 6.638
40 HG21 VAL 6 HG21 VAL 6 0.844 -6.322 6.351
41 HG22 VAL 6 HG22 VAL 6 0.499 -6.553 4.620
42 HG23 VAL 6 HG23 VAL 6 0.652 -7.956 5.696
43 H GLY 7 H GLY 7 1.317 -3.847 4.857
44 HA2 GLY 7 HA3 GLY 7 0.619 -2.776 7.011
45 HA3 GLY 7 HA2 GLY 7 2.332 -2.638 7.416
46 H LEU 8 H LEU 8 1.712 -0.409 7.715
47 HA LEU 8 HA LEU 8 1.879 1.781 7.329
48 HB2 LEU 8 HB3 LEU 8 3.994 0.677 6.223
49 HB3 LEU 8 HB2 LEU 8 3.315 1.265 4.724
50 HG LEU 8 HG LEU 8 4.960 2.781 5.455
51 HD11 LEU 8 HD11 LEU 8 2.391 4.170 6.296
52 HD12 LEU 8 HD12 LEU 8 2.878 3.899 4.609
53 HD13 LEU 8 HD13 LEU 8 3.878 4.904 5.671
54 HD21 LEU 8 HD21 LEU 8 5.087 3.846 7.614
55 HD22 LEU 8 HD22 LEU 8 5.020 2.089 7.842
56 HD23 LEU 8 HD23 LEU 8 3.584 3.079 8.149
57 H ASP 9 H ASP 9 1.224 0.531 4.117
58 HA ASP 9 HA ASP 9 0.700 2.696 2.689
59 HB2 ASP 9 HB2 ASP 9 0.784 0.199 2.140
60 HB3 ASP 9 HB3 ASP 9 -0.944 0.153 2.421
61 H SER 10 H SER 10 -2.016 1.014 4.183
62 HA SER 10 HA SER 10 -4.090 1.605 4.902
63 HB2 SER 10 HB3 SER 10 -2.768 4.256 5.543
64 HB3 SER 10 HB2 SER 10 -4.212 3.563 6.305
65 HG SER 10 HG SER 10 -1.524 2.705 6.420
66 H VAL 11 H VAL 11 -3.048 3.484 2.305
67 HA VAL 11 HA VAL 11 -5.746 4.692 1.832
68 HB VAL 11 HB VAL 11 -3.022 5.889 1.185
69 HG11 VAL 11 HG11 VAL 11 -4.313 7.967 0.864
70 HG12 VAL 11 HG12 VAL 11 -4.870 6.716 -0.250
71 HG13 VAL 11 HG13 VAL 11 -5.826 7.091 1.202
72 HG21 VAL 11 HG21 VAL 11 -4.907 6.475 3.513
73 HG22 VAL 11 HG22 VAL 11 -3.245 5.851 3.618
74 HG23 VAL 11 HG23 VAL 11 -3.513 7.488 3.047
75 H SER 12 H SER 12 -2.738 3.656 0.077
76 HA SER 12 HA SER 12 -4.200 3.487 -2.474
77 HB2 SER 12 HB3 SER 12 -1.816 4.178 -2.352
78 HB3 SER 12 HB2 SER 12 -1.407 2.564 -1.776
79 HG SER 12 HG SER 12 -2.648 1.883 -3.758
80 H GLY 13 H GLY 13 -4.078 1.520 0.201
81 HA2 GLY 13 HA3 GLY 13 -5.292 -0.435 0.624
82 HA3 GLY 13 HA2 GLY 13 -5.722 -0.505 -1.089
83 H GLN 14 H GLN 14 -2.319 -0.424 -0.219
84 HA GLN 14 HA GLN 14 -2.076 -3.267 -1.131
85 HB2 GLN 14 HB3 GLN 14 -1.792 -0.832 -2.645
86 HB3 GLN 14 HB2 GLN 14 -0.213 -1.499 -2.464
87 HG2 GLN 14 HG3 GLN 14 -2.565 -3.094 -3.488
88 HG3 GLN 14 HG2 GLN 14 -1.471 -2.173 -4.520
89 HE21 GLN 14 HE21 GLN 14 1.101 -2.873 -3.059
90 HE22 GLN 14 HE22 GLN 14 1.244 -4.583 -3.463
91 H TYR 15 H TYR 15 0.454 -3.715 -1.369
92 HA TYR 15 HA TYR 15 1.378 -4.026 1.323
93 HB2 TYR 15 HB3 TYR 15 2.197 -4.935 -1.441
94 HB3 TYR 15 HB2 TYR 15 3.180 -5.333 -0.060
95 HD1 TYR 15 HD1 TYR 15 2.116 -6.599 1.884
96 HD2 TYR 15 HD2 TYR 15 0.272 -6.276 -1.991
97 HE1 TYR 15 HE1 TYR 15 0.626 -8.501 2.449
98 HE2 TYR 15 HE2 TYR 15 -1.216 -8.196 -1.438
99 HH TYR 15 HH TYR 15 -1.030 -9.874 1.690
100 H TRP 16 H TRP 16 1.827 -1.899 2.000
101 HA TRP 16 HA TRP 16 3.294 -0.562 3.043
102 HB2 TRP 16 HB3 TRP 16 4.304 -2.654 3.474
103 HB3 TRP 16 HB2 TRP 16 5.243 -2.592 1.987
104 HD1 TRP 16 HD1 TRP 16 7.396 -1.122 1.945
105 HE1 TRP 16 HE1 TRP 16 9.007 -0.399 3.794
106 HE3 TRP 16 HE3 TRP 16 4.461 -2.036 6.003
107 HZ2 TRP 16 HZ2 TRP 16 8.843 0.221 6.626
108 HZ3 TRP 16 HZ3 TRP 16 5.208 -1.371 8.281
109 HH2 TRP 16 HH2 TRP 16 7.373 -0.194 8.596
110 H ASP 17 H ASP 17 2.901 1.376 2.046
111 HA ASP 17 HA ASP 17 4.271 2.563 -0.097
112 HB2 ASP 17 HB3 ASP 17 2.644 3.507 2.249
113 HB3 ASP 17 HB2 ASP 17 3.538 4.727 1.405
114 H GLN 18 H GLN 18 6.203 1.654 2.449
115 HA GLN 18 HA GLN 18 7.100 4.243 3.321
116 HB2 GLN 18 HB3 GLN 18 7.438 2.079 4.603
117 HB3 GLN 18 HB2 GLN 18 8.794 1.736 3.500
118 HG2 GLN 18 HG3 GLN 18 9.507 2.700 5.691
119 HG3 GLN 18 HG2 GLN 18 10.029 3.639 4.303
120 HE21 GLN 18 HE21 GLN 18 7.381 3.534 6.798
121 HE22 GLN 18 HE22 GLN 18 7.167 5.285 6.734
122 H HIS 19 H HIS 19 8.720 5.537 2.767
123 HA HIS 19 HA HIS 19 9.822 5.520 0.133
124 HB2 HIS 19 HB3 HIS 19 10.793 7.587 0.621
125 HB3 HIS 19 HB2 HIS 19 9.287 7.559 1.519
126 HD1 HIS 19 HD1 HIS 19 9.747 6.921 4.328
127 HD2 HIS 19 HD2 HIS 19 12.965 8.107 1.874
128 HE1 HIS 19 HE1 HIS 19 11.650 7.585 5.920
129 HE2 HIS 19 HE2 HIS 19 13.635 8.320 4.406
130 H ALA 20 H ALA 20 10.690 3.104 1.328
131 HA ALA 20 HA ALA 20 13.613 3.216 1.046
132 HB1 ALA 20 HB1 ALA 20 12.132 1.896 3.385
133 HB2 ALA 20 HB2 ALA 20 13.851 1.685 3.034
134 HB3 ALA 20 HB3 ALA 20 13.239 3.286 3.499
135 HA PRO 21 HA PRO 21 12.500 -0.121 -1.579
136 HB2 PRO 21 HB3 PRO 21 14.738 -1.698 -1.741
137 HB3 PRO 21 HB2 PRO 21 14.662 -0.034 -2.397
138 HG2 PRO 21 HG3 PRO 21 15.750 -0.921 0.296
139 HG3 PRO 21 HG2 PRO 21 16.547 0.126 -0.921
140 HD2 PRO 21 HD3 PRO 21 15.213 1.184 1.193
141 HD3 PRO 21 HD2 PRO 21 15.110 1.950 -0.422
142 H LEU 22 H LEU 22 13.575 -1.034 1.635
143 HA LEU 22 HA LEU 22 11.497 -2.953 1.869
144 HB2 LEU 22 HB3 LEU 22 12.826 -4.897 2.534
145 HB3 LEU 22 HB2 LEU 22 13.170 -4.417 0.893
146 HG LEU 22 HG LEU 22 15.200 -3.069 2.088
147 HD11 LEU 22 HD11 LEU 22 14.731 -5.483 3.882
148 HD12 LEU 22 HD12 LEU 22 14.645 -3.797 4.395
149 HD13 LEU 22 HD13 LEU 22 16.191 -4.472 3.862
150 HD21 LEU 22 HD21 LEU 22 16.637 -4.987 1.566
151 HD22 LEU 22 HD22 LEU 22 15.424 -4.715 0.297
152 HD23 LEU 22 HD23 LEU 22 15.206 -6.037 1.468
153 H ALA 23 H ALA 23 11.629 -3.908 4.209
154 HA ALA 23 HA ALA 23 12.806 -2.110 6.198
155 HB1 ALA 23 HB1 ALA 23 10.741 -0.910 5.545
156 HB2 ALA 23 HB2 ALA 23 9.785 -2.385 5.867
157 HB3 ALA 23 HB3 ALA 23 10.606 -1.549 7.200
158 H ASP 24 H ASP 24 12.064 -5.196 5.246
159 HA ASP 24 HA ASP 24 12.201 -6.527 7.771
160 HB2 ASP 24 HB3 ASP 24 9.700 -6.075 7.090
161 HB3 ASP 24 HB2 ASP 24 10.012 -7.153 5.743