NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
11913 |
1s7p   |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H VAL 11 1HT VAL 11 1.066 8.814 3.897
2 2H VAL 11 2HT VAL 11 1.305 7.881 5.296
3 3H VAL 11 3HT VAL 11 1.728 9.522 5.286
4 HA VAL 11 HA VAL 11 -0.677 8.375 6.044
5 HB VAL 11 HB VAL 11 -0.250 11.316 5.544
6 1HG1 VAL 11 1HG1 VAL 11 -1.638 9.890 7.809
7 2HG1 VAL 11 2HG1 VAL 11 -2.453 10.505 6.371
8 3HG1 VAL 11 3HG1 VAL 11 -1.646 11.621 7.472
9 1HG2 VAL 11 1HG2 VAL 11 1.377 11.501 7.061
10 2HG2 VAL 11 2HG2 VAL 11 1.585 9.758 6.891
11 3HG2 VAL 11 3HG2 VAL 11 0.569 10.404 8.180
12 H GLY 12 H GLY 12 -0.670 7.525 3.538
13 1HA GLY 12 2HA GLY 12 -2.119 7.322 1.755
14 2HA GLY 12 1HA GLY 12 -3.095 8.603 2.454
15 H ILE 13 H ILE 13 -2.106 10.825 2.256
16 HA ILE 13 HA ILE 13 -1.592 11.343 -0.504
17 HB ILE 13 HB ILE 13 -2.890 12.940 0.768
18 1HG1 ILE 13 2HG1 ILE 13 -0.212 14.139 0.025
19 2HG1 ILE 13 1HG1 ILE 13 -1.514 13.784 -1.105
20 1HG2 ILE 13 1HG2 ILE 13 -0.721 14.091 2.338
21 2HG2 ILE 13 2HG2 ILE 13 -1.150 12.452 2.828
22 3HG2 ILE 13 3HG2 ILE 13 -2.382 13.714 2.797
23 1HD1 ILE 13 1HD1 ILE 13 -1.636 15.758 1.163
24 2HD1 ILE 13 2HD1 ILE 13 -2.941 15.404 0.030
25 3HD1 ILE 13 3HD1 ILE 13 -1.447 16.143 -0.548
26 H GLY 14 H GLY 14 0.292 11.677 -1.525
27 1HA GLY 14 2HA GLY 14 2.553 11.769 -1.913
28 2HA GLY 14 1HA GLY 14 2.685 12.569 -0.356
29 H THR 15 H THR 15 1.381 9.376 -0.823
30 HA THR 15 HA THR 15 3.773 8.232 0.450
31 HB THR 15 HB THR 15 0.941 7.329 1.012
32 HG1 THR 15 HG1 THR 15 1.910 9.580 1.781
33 1HG2 THR 15 1HG2 THR 15 3.254 6.875 2.834
34 2HG2 THR 15 2HG2 THR 15 3.138 5.893 1.374
35 3HG2 THR 15 3HG2 THR 15 1.827 5.877 2.553
36 HA PRO 16 HA PRO 16 3.578 5.583 -3.132
37 1HB PRO 16 2HB PRO 16 5.533 3.853 -2.416
38 2HB PRO 16 1HB PRO 16 5.869 5.497 -2.973
39 1HG PRO 16 2HG PRO 16 5.759 4.429 -0.178
40 2HG PRO 16 1HG PRO 16 6.937 5.537 -0.907
41 1HD PRO 16 2HD PRO 16 4.895 6.387 0.664
42 2HD PRO 16 1HD PRO 16 5.558 7.363 -0.662
43 H ILE 17 H ILE 17 1.401 5.045 -1.769
44 HA ILE 17 HA ILE 17 1.234 2.617 -0.372
45 HB ILE 17 HB ILE 17 -0.947 3.774 -2.098
46 1HG1 ILE 17 2HG1 ILE 17 -0.257 4.443 0.773
47 2HG1 ILE 17 1HG1 ILE 17 -0.018 5.510 -0.607
48 1HG2 ILE 17 1HG2 ILE 17 -1.840 1.806 -1.407
49 2HG2 ILE 17 2HG2 ILE 17 -2.227 2.780 0.011
50 3HG2 ILE 17 3HG2 ILE 17 -0.817 1.720 0.027
51 1HD1 ILE 17 1HD1 ILE 17 -2.235 6.003 -0.781
52 2HD1 ILE 17 2HD1 ILE 17 -2.112 5.731 0.957
53 3HD1 ILE 17 3HD1 ILE 17 -2.746 4.462 -0.092
54 H SER 18 H SER 18 0.848 0.567 -0.995
55 HA SER 18 HA SER 18 0.355 -0.197 -3.713
56 1HB SER 18 2HB SER 18 2.599 -1.635 -3.545
57 2HB SER 18 1HB SER 18 2.592 -0.002 -4.210
58 HG SER 18 HG SER 18 3.421 0.782 -2.344
59 H PHE 19 H PHE 19 1.368 -2.859 -3.455
60 HA PHE 19 HA PHE 19 -0.154 -3.852 -1.135
61 1HB PHE 19 2HB PHE 19 -0.286 -4.931 -3.961
62 2HB PHE 19 1HB PHE 19 -1.034 -5.684 -2.561
63 HD1 PHE 19 HD1 PHE 19 -1.040 -2.519 -4.527
64 HD2 PHE 19 HD2 PHE 19 -3.208 -5.163 -1.995
65 HE1 PHE 19 HE1 PHE 19 -3.083 -1.204 -4.911
66 HE2 PHE 19 HE2 PHE 19 -5.254 -3.853 -2.374
67 HZ PHE 19 HZ PHE 19 -5.194 -1.871 -3.833
68 H TYR 20 H TYR 20 0.259 -6.208 -0.752
69 HA TYR 20 HA TYR 20 2.761 -7.280 -1.704
70 1HB TYR 20 2HB TYR 20 3.820 -7.536 0.459
71 2HB TYR 20 1HB TYR 20 3.526 -5.840 0.149
72 HD1 TYR 20 HD1 TYR 20 2.152 -4.548 1.614
73 HD2 TYR 20 HD2 TYR 20 2.395 -8.765 2.103
74 HE1 TYR 20 HE1 TYR 20 1.048 -4.352 3.800
75 HE2 TYR 20 HE2 TYR 20 1.284 -8.582 4.288
76 HH TYR 20 HH TYR 20 0.152 -5.451 5.514
77 H GLY 21 HN GLY 21 3.147 -9.441 -0.804
78 1HA GLY 21 2HA GLY 21 2.429 -11.595 -0.445
79 2HA GLY 21 1HA GLY 21 1.273 -10.895 0.678
80 2H GLY 1 H GLY 1 3.860 -1.400 -1.264
81 1HA GLY 1 2HA GLY 1 6.360 -1.671 -0.952
82 2HA GLY 1 1HA GLY 1 5.996 -3.385 -0.796
83 H GLY 2 H GLY 2 3.967 -3.492 -2.790
84 1HA GLY 2 2HA GLY 2 4.766 -2.460 -5.282
85 2HA GLY 2 1HA GLY 2 5.513 -4.031 -5.063
86 H ALA 3 H ALA 3 4.441 -5.459 -6.147
87 HA ALA 3 HA ALA 3 1.543 -5.267 -6.436
88 1HB ALA 3 1HB ALA 3 1.732 -6.896 -8.166
89 2HB ALA 3 2HB ALA 3 3.378 -7.307 -7.685
90 3HB ALA 3 3HB ALA 3 3.038 -5.736 -8.409
91 H GLY 4 H GLY 4 0.147 -6.618 -5.391
92 1HA GLY 4 2HA GLY 4 0.824 -9.180 -4.420
93 2HA GLY 4 1HA GLY 4 0.961 -8.012 -3.114
94 H HIS 5 H HIS 5 -0.750 -8.613 -1.872
95 HA HIS 5 HA HIS 5 -3.401 -8.320 -3.124
96 1HB HIS 5 2HB HIS 5 -2.617 -10.371 -1.043
97 2HB HIS 5 1HB HIS 5 -4.259 -10.082 -1.602
98 HD1 HIS 5 HD1 HIS 5 -0.902 -11.264 -2.945
99 HD2 HIS 5 HD2 HIS 5 -4.975 -11.529 -3.794
100 HE1 HIS 5 HE1 HIS 5 -1.096 -12.861 -4.880
101 HE2 HIS 5 HE2 HIS 5 -3.569 -13.106 -5.288
102 H VAL 6 H VAL 6 -1.572 -8.231 -0.078
103 HA VAL 6 HA VAL 6 -3.693 -6.717 1.214
104 HB VAL 6 HB VAL 6 -0.953 -7.380 2.308
105 1HG1 VAL 6 1HG1 VAL 6 -3.382 -7.006 3.987
106 2HG1 VAL 6 2HG1 VAL 6 -2.586 -5.580 3.322
107 3HG1 VAL 6 3HG1 VAL 6 -1.688 -6.687 4.361
108 1HG2 VAL 6 1HG2 VAL 6 -2.366 -9.371 1.570
109 2HG2 VAL 6 2HG2 VAL 6 -3.465 -8.927 2.876
110 3HG2 VAL 6 3HG2 VAL 6 -1.796 -9.364 3.239
111 HA PRO 7 HA PRO 7 -1.889 -2.888 -0.174
112 1HB PRO 7 2HB PRO 7 -3.704 -1.572 1.701
113 2HB PRO 7 1HB PRO 7 -3.680 -1.510 -0.062
114 1HG PRO 7 2HG PRO 7 -5.623 -2.783 1.323
115 2HG PRO 7 1HG PRO 7 -5.080 -3.319 -0.277
116 1HD PRO 7 2HD PRO 7 -4.389 -4.409 2.425
117 2HD PRO 7 1HD PRO 7 -4.734 -5.277 0.913
118 H GLU 8 H GLU 8 -0.007 -2.176 0.518
119 HA GLU 8 HA GLU 8 0.560 -2.015 3.375
120 1HB GLU 8 2HB GLU 8 2.894 -1.275 2.227
121 2HB GLU 8 1HB GLU 8 2.460 -2.943 2.570
122 1HG GLU 8 2HG GLU 8 1.686 -3.228 0.287
123 2HG GLU 8 1HG GLU 8 2.070 -1.548 -0.069
124 H TYR 9 H TYR 9 -1.143 -0.236 3.195
125 HA TYR 9 HA TYR 9 -0.211 2.293 2.193
126 1HB TYR 9 2HB TYR 9 -2.325 3.091 3.527
127 2HB TYR 9 1HB TYR 9 -2.501 2.211 2.017
128 HD1 TYR 9 HD1 TYR 9 -4.315 0.810 2.060
129 HD2 TYR 9 HD2 TYR 9 -1.980 1.189 5.595
130 HE1 TYR 9 HE1 TYR 9 -5.751 -0.841 3.178
131 HE2 TYR 9 HE2 TYR 9 -3.408 -0.465 6.722
132 HH TYR 9 HH TYR 9 -5.214 -1.748 6.568
133 H PHE 10 HN PHE 10 0.442 4.057 3.333
134 HA PHE 10 HA PHE 10 0.748 3.890 6.221
135 1HB PHE 10 2HB PHE 10 3.070 4.265 4.312
136 2HB PHE 10 1HB PHE 10 3.144 4.692 6.016
137 HD1 PHE 10 HD1 PHE 10 3.275 2.997 7.719
138 HD2 PHE 10 HD2 PHE 10 3.025 1.942 3.604
139 HE1 PHE 10 HE1 PHE 10 3.980 0.705 8.268
140 HE2 PHE 10 HE2 PHE 10 3.723 -0.354 4.146
141 HZ PHE 10 HZ PHE 10 4.202 -0.975 6.481
Start of MODEL 2
1 1H VAL 11 1HT VAL 11 -3.829 7.369 2.220
2 2H VAL 11 2HT VAL 11 -3.531 8.966 1.729
3 3H VAL 11 3HT VAL 11 -2.520 8.231 2.869
4 HA VAL 11 HA VAL 11 -1.433 6.972 1.361
5 HB VAL 11 HB VAL 11 -3.402 5.858 0.447
6 1HG1 VAL 11 1HG1 VAL 11 -4.373 8.344 -0.099
7 2HG1 VAL 11 2HG1 VAL 11 -5.040 6.835 -0.721
8 3HG1 VAL 11 3HG1 VAL 11 -3.915 7.773 -1.703
9 1HG2 VAL 11 1HG2 VAL 11 -1.761 5.171 -0.927
10 2HG2 VAL 11 2HG2 VAL 11 -1.215 6.813 -1.268
11 3HG2 VAL 11 3HG2 VAL 11 -2.609 6.153 -2.122
12 H GLY 12 H GLY 12 0.210 7.823 0.223
13 1HA GLY 12 2HA GLY 12 1.396 9.302 -1.108
14 2HA GLY 12 1HA GLY 12 -0.114 10.104 -1.516
15 H ILE 13 H ILE 13 -1.126 11.135 0.570
16 HA ILE 13 HA ILE 13 0.928 12.922 1.635
17 HB ILE 13 HB ILE 13 -0.916 14.083 0.621
18 1HG1 ILE 13 2HG1 ILE 13 -1.195 14.229 3.632
19 2HG1 ILE 13 1HG1 ILE 13 0.034 15.059 2.684
20 1HG2 ILE 13 1HG2 ILE 13 -3.237 13.852 1.558
21 2HG2 ILE 13 2HG2 ILE 13 -2.672 12.406 2.396
22 3HG2 ILE 13 3HG2 ILE 13 -2.649 12.469 0.634
23 1HD1 ILE 13 1HD1 ILE 13 -2.607 15.651 1.697
24 2HD1 ILE 13 2HD1 ILE 13 -1.340 16.742 2.257
25 3HD1 ILE 13 3HD1 ILE 13 -2.461 16.025 3.415
26 H GLY 14 H GLY 14 1.624 12.724 3.654
27 1HA GLY 14 2HA GLY 14 1.634 12.251 5.916
28 2HA GLY 14 1HA GLY 14 -0.058 11.813 5.802
29 H THR 15 H THR 15 -0.383 9.733 4.476
30 HA THR 15 HA THR 15 1.402 7.722 5.627
31 HB THR 15 HB THR 15 -0.434 6.114 4.963
32 HG1 THR 15 HG1 THR 15 -2.230 6.846 4.079
33 1HG2 THR 15 1HG2 THR 15 -0.482 8.151 7.062
34 2HG2 THR 15 2HG2 THR 15 -0.713 6.405 7.170
35 3HG2 THR 15 3HG2 THR 15 -2.062 7.447 6.718
36 HA PRO 16 HA PRO 16 3.142 7.029 1.608
37 1HB PRO 16 2HB PRO 16 4.557 4.801 2.171
38 2HB PRO 16 1HB PRO 16 5.026 6.397 2.767
39 1HG PRO 16 2HG PRO 16 3.577 4.195 4.184
40 2HG PRO 16 1HG PRO 16 4.878 5.243 4.779
41 1HD PRO 16 2HD PRO 16 2.244 5.649 5.356
42 2HD PRO 16 1HD PRO 16 3.438 6.960 5.272
43 H ILE 17 H ILE 17 3.743 3.987 1.372
44 HA ILE 17 HA ILE 17 1.219 2.730 0.958
45 HB ILE 17 HB ILE 17 1.134 4.174 -0.982
46 1HG1 ILE 17 2HG1 ILE 17 1.856 1.357 -1.806
47 2HG1 ILE 17 1HG1 ILE 17 0.274 1.885 -1.241
48 1HG2 ILE 17 1HG2 ILE 17 3.803 3.016 -1.764
49 2HG2 ILE 17 2HG2 ILE 17 3.506 4.664 -1.208
50 3HG2 ILE 17 3HG2 ILE 17 2.830 4.115 -2.742
51 1HD1 ILE 17 1HD1 ILE 17 -0.197 2.999 -3.195
52 2HD1 ILE 17 2HD1 ILE 17 0.738 1.623 -3.780
53 3HD1 ILE 17 3HD1 ILE 17 1.504 3.203 -3.615
54 H SER 18 H SER 18 1.459 0.546 0.280
55 HA SER 18 HA SER 18 4.073 -0.556 -0.182
56 1HB SER 18 2HB SER 18 3.713 -2.132 1.884
57 2HB SER 18 1HB SER 18 4.434 -0.541 2.112
58 HG SER 18 HG SER 18 2.538 0.216 2.916
59 H PHE 19 H PHE 19 3.644 -3.198 0.351
60 HA PHE 19 HA PHE 19 1.100 -3.891 -0.958
61 1HB PHE 19 2HB PHE 19 3.815 -4.914 -1.832
62 2HB PHE 19 1HB PHE 19 2.268 -5.455 -2.465
63 HD1 PHE 19 HD1 PHE 19 1.298 -4.388 -4.286
64 HD2 PHE 19 HD2 PHE 19 4.471 -2.473 -2.196
65 HE1 PHE 19 HE1 PHE 19 1.423 -2.678 -6.049
66 HE2 PHE 19 HE2 PHE 19 4.596 -0.754 -3.951
67 HZ PHE 19 HZ PHE 19 3.071 -0.856 -5.882
68 H TYR 20 H TYR 20 0.887 -6.347 -1.031
69 HA TYR 20 HA TYR 20 2.240 -7.818 1.044
70 1HB TYR 20 2HB TYR 20 0.267 -8.412 2.329
71 2HB TYR 20 1HB TYR 20 0.500 -6.678 2.360
72 HD1 TYR 20 HD1 TYR 20 -1.163 -5.200 1.485
73 HD2 TYR 20 HD2 TYR 20 -1.567 -9.401 0.964
74 HE1 TYR 20 HE1 TYR 20 -3.493 -4.882 0.775
75 HE2 TYR 20 HE2 TYR 20 -3.897 -9.093 0.245
76 HH TYR 20 HH TYR 20 -5.304 -5.854 -0.079
77 H GLY 21 HN GLY 21 1.480 -10.065 1.121
78 1HA GLY 21 2HA GLY 21 1.067 -12.058 0.053
79 2HA GLY 21 1HA GLY 21 -0.235 -11.212 -0.771
80 2H GLY 1 H GLY 1 1.776 -2.176 3.315
81 1HA GLY 1 2HA GLY 1 1.833 -2.882 5.725
82 2HA GLY 1 1HA GLY 1 1.638 -4.519 5.111
83 H GLY 2 H GLY 2 3.343 -4.280 2.860
84 1HA GLY 2 2HA GLY 2 5.922 -3.324 3.526
85 2HA GLY 2 1HA GLY 2 5.795 -5.020 3.952
86 H ALA 3 H ALA 3 6.765 -6.151 2.478
87 HA ALA 3 HA ALA 3 6.637 -5.368 -0.333
88 1HB ALA 3 1HB ALA 3 8.492 -6.926 1.314
89 2HB ALA 3 2HB ALA 3 8.788 -5.997 -0.156
90 3HB ALA 3 3HB ALA 3 8.159 -7.641 -0.263
91 H GLY 4 H GLY 4 5.450 -6.482 -1.823
92 1HA GLY 4 2HA GLY 4 4.657 -9.175 -1.548
93 2HA GLY 4 1HA GLY 4 3.351 -8.131 -1.009
94 H HIS 5 H HIS 5 1.897 -8.457 -2.626
95 HA HIS 5 HA HIS 5 2.753 -7.573 -5.302
96 1HB HIS 5 2HB HIS 5 0.886 -9.873 -4.690
97 2HB HIS 5 1HB HIS 5 1.193 -9.228 -6.297
98 HD1 HIS 5 HD1 HIS 5 3.026 -10.978 -3.465
99 HD2 HIS 5 HD2 HIS 5 3.343 -10.322 -7.568
100 HE1 HIS 5 HE1 HIS 5 4.988 -12.357 -4.229
101 HE2 HIS 5 HE2 HIS 5 5.239 -11.842 -6.682
102 H VAL 6 H VAL 6 0.001 -8.034 -3.101
103 HA VAL 6 HA VAL 6 -1.656 -6.253 -4.685
104 HB VAL 6 HB VAL 6 -2.266 -7.408 -1.958
105 1HG1 VAL 6 1HG1 VAL 6 -4.431 -6.726 -2.241
106 2HG1 VAL 6 2HG1 VAL 6 -4.329 -6.757 -4.002
107 3HG1 VAL 6 3HG1 VAL 6 -3.588 -5.435 -3.099
108 1HG2 VAL 6 1HG2 VAL 6 -2.577 -9.415 -2.856
109 2HG2 VAL 6 2HG2 VAL 6 -1.915 -8.811 -4.375
110 3HG2 VAL 6 3HG2 VAL 6 -3.652 -8.737 -4.079
111 HA PRO 7 HA PRO 7 -0.062 -2.696 -2.531
112 1HB PRO 7 2HB PRO 7 -1.821 -0.879 -3.547
113 2HB PRO 7 1HB PRO 7 -0.423 -1.490 -4.437
114 1HG PRO 7 2HG PRO 7 -3.292 -2.312 -4.616
115 2HG PRO 7 1HG PRO 7 -2.109 -2.077 -5.916
116 1HD PRO 7 2HD PRO 7 -2.782 -4.526 -4.977
117 2HD PRO 7 1HD PRO 7 -1.163 -4.152 -5.601
118 H GLU 8 H GLU 8 -0.409 -2.245 -0.487
119 HA GLU 8 HA GLU 8 -3.158 -2.216 0.551
120 1HB GLU 8 2HB GLU 8 -1.792 -2.238 2.814
121 2HB GLU 8 1HB GLU 8 -2.097 -3.723 1.925
122 1HG GLU 8 2HG GLU 8 0.101 -3.707 1.006
123 2HG GLU 8 1HG GLU 8 0.421 -2.104 1.655
124 H TYR 9 H TYR 9 -2.884 -0.063 -0.739
125 HA TYR 9 HA TYR 9 -1.589 2.039 0.735
126 1HB TYR 9 2HB TYR 9 -2.826 3.496 -1.017
127 2HB TYR 9 1HB TYR 9 -1.500 2.470 -1.538
128 HD1 TYR 9 HD1 TYR 9 -5.166 1.871 -0.971
129 HD2 TYR 9 HD2 TYR 9 -1.870 1.666 -3.652
130 HE1 TYR 9 HE1 TYR 9 -6.619 0.851 -2.671
131 HE2 TYR 9 HE2 TYR 9 -3.313 0.645 -5.357
132 HH TYR 9 HH TYR 9 -6.780 0.177 -4.794
133 H PHE 10 HN PHE 10 -2.546 3.743 1.783
134 HA PHE 10 HA PHE 10 -5.383 3.924 2.144
135 1HB PHE 10 2HB PHE 10 -4.807 2.096 3.732
136 2HB PHE 10 1HB PHE 10 -3.652 3.166 4.518
137 HD1 PHE 10 HD1 PHE 10 -7.169 3.646 3.357
138 HD2 PHE 10 HD2 PHE 10 -4.419 3.724 6.605
139 HE1 PHE 10 HE1 PHE 10 -8.949 4.476 4.839
140 HE2 PHE 10 HE2 PHE 10 -6.195 4.553 8.093
141 HZ PHE 10 HZ PHE 10 -8.463 4.930 7.210
Start of MODEL 3
1 1H VAL 11 1HT VAL 11 -5.443 7.941 1.175
2 2H VAL 11 2HT VAL 11 -6.078 7.799 -0.386
3 3H VAL 11 3HT VAL 11 -6.109 9.298 0.414
4 HA VAL 11 HA VAL 11 -3.526 8.025 0.055
5 HB VAL 11 HB VAL 11 -4.532 7.704 -2.143
6 1HG1 VAL 11 1HG1 VAL 11 -6.267 9.209 -2.373
7 2HG1 VAL 11 2HG1 VAL 11 -5.046 9.881 -3.454
8 3HG1 VAL 11 3HG1 VAL 11 -5.288 10.580 -1.852
9 1HG2 VAL 11 1HG2 VAL 11 -2.205 9.285 -1.624
10 2HG2 VAL 11 2HG2 VAL 11 -2.944 9.801 -3.141
11 3HG2 VAL 11 3HG2 VAL 11 -2.492 8.112 -2.910
12 H GLY 12 H GLY 12 -1.956 9.423 0.567
13 1HA GLY 12 2HA GLY 12 -2.102 12.232 0.309
14 2HA GLY 12 1HA GLY 12 -2.502 11.767 1.959
15 H ILE 13 H ILE 13 -0.124 13.144 0.634
16 HA ILE 13 HA ILE 13 2.115 11.443 0.858
17 HB ILE 13 HB ILE 13 2.036 14.451 1.177
18 1HG1 ILE 13 2HG1 ILE 13 2.502 12.773 -1.301
19 2HG1 ILE 13 1HG1 ILE 13 1.031 13.671 -0.948
20 1HG2 ILE 13 1HG2 ILE 13 4.202 14.236 1.653
21 2HG2 ILE 13 2HG2 ILE 13 4.433 13.682 -0.006
22 3HG2 ILE 13 3HG2 ILE 13 4.177 12.510 1.288
23 1HD1 ILE 13 1HD1 ILE 13 3.459 14.561 -2.178
24 2HD1 ILE 13 2HD1 ILE 13 3.111 15.524 -0.742
25 3HD1 ILE 13 3HD1 ILE 13 1.909 15.388 -2.026
26 H GLY 14 H GLY 14 2.669 10.433 2.660
27 1HA GLY 14 2HA GLY 14 3.807 11.299 4.864
28 2HA GLY 14 1HA GLY 14 2.134 11.661 5.255
29 H THR 15 H THR 15 0.966 9.448 3.995
30 HA THR 15 HA THR 15 1.364 7.469 6.037
31 HB THR 15 HB THR 15 -0.299 7.014 3.578
32 HG1 THR 15 HG1 THR 15 -0.668 8.936 5.583
33 1HG2 THR 15 1HG2 THR 15 0.115 5.557 5.871
34 2HG2 THR 15 2HG2 THR 15 -1.276 5.399 4.798
35 3HG2 THR 15 3HG2 THR 15 -1.380 6.422 6.231
36 HA PRO 16 HA PRO 16 4.486 5.252 3.724
37 1HB PRO 16 2HB PRO 16 4.086 3.126 5.707
38 2HB PRO 16 1HB PRO 16 5.525 4.094 5.381
39 1HG PRO 16 2HG PRO 16 4.071 4.405 7.628
40 2HG PRO 16 1HG PRO 16 4.897 5.762 6.840
41 1HD PRO 16 2HD PRO 16 2.004 4.988 6.742
42 2HD PRO 16 1HD PRO 16 2.735 6.602 6.885
43 H ILE 17 H ILE 17 3.930 4.286 1.886
44 HA ILE 17 HA ILE 17 1.592 2.642 1.665
45 HB ILE 17 HB ILE 17 2.240 2.345 -0.689
46 1HG1 ILE 17 2HG1 ILE 17 4.623 4.093 -0.035
47 2HG1 ILE 17 1HG1 ILE 17 4.715 2.352 -0.278
48 1HG2 ILE 17 1HG2 ILE 17 2.167 5.093 0.496
49 2HG2 ILE 17 2HG2 ILE 17 0.902 4.214 -0.364
50 3HG2 ILE 17 3HG2 ILE 17 2.283 4.863 -1.249
51 1HD1 ILE 17 1HD1 ILE 17 5.377 3.342 -2.304
52 2HD1 ILE 17 2HD1 ILE 17 4.020 4.468 -2.286
53 3HD1 ILE 17 3HD1 ILE 17 3.737 2.750 -2.568
54 H SER 18 H SER 18 1.512 0.439 1.146
55 HA SER 18 HA SER 18 3.929 -1.124 1.135
56 1HB SER 18 2HB SER 18 2.900 -2.574 3.054
57 2HB SER 18 1HB SER 18 3.835 -1.138 3.450
58 HG SER 18 HG SER 18 1.998 -0.053 3.929
59 H PHE 19 H PHE 19 3.210 -3.574 1.246
60 HA PHE 19 HA PHE 19 0.726 -3.935 -0.292
61 1HB PHE 19 2HB PHE 19 3.395 -5.147 -1.054
62 2HB PHE 19 1HB PHE 19 1.865 -5.409 -1.877
63 HD1 PHE 19 HD1 PHE 19 1.189 -4.005 -3.609
64 HD2 PHE 19 HD2 PHE 19 4.393 -2.810 -1.077
65 HE1 PHE 19 HE1 PHE 19 1.690 -2.138 -5.130
66 HE2 PHE 19 HE2 PHE 19 4.894 -0.935 -2.589
67 HZ PHE 19 HZ PHE 19 3.541 -0.598 -4.619
68 H TYR 20 H TYR 20 0.402 -6.367 -0.644
69 HA TYR 20 HA TYR 20 1.426 -8.079 1.441
70 1HB TYR 20 2HB TYR 20 -0.755 -8.705 2.350
71 2HB TYR 20 1HB TYR 20 -0.424 -7.010 2.629
72 HD1 TYR 20 HD1 TYR 20 -2.375 -9.361 0.529
73 HD2 TYR 20 HD2 TYR 20 -1.902 -5.339 1.823
74 HE1 TYR 20 HE1 TYR 20 -4.544 -8.789 -0.476
75 HE2 TYR 20 HE2 TYR 20 -4.068 -4.756 0.822
76 HH TYR 20 HH TYR 20 -5.641 -5.486 -0.712
77 H GLY 21 HN GLY 21 0.671 -10.283 1.185
78 1HA GLY 21 2HA GLY 21 0.427 -12.156 -0.122
79 2HA GLY 21 1HA GLY 21 -0.846 -11.256 -0.932
80 2H GLY 1 H GLY 1 0.959 -2.480 4.098
81 1HA GLY 1 2HA GLY 1 0.819 -3.388 6.416
82 2HA GLY 1 1HA GLY 1 0.612 -4.964 5.666
83 H GLY 2 H GLY 2 2.541 -4.763 3.632
84 1HA GLY 2 2HA GLY 2 5.076 -3.929 4.581
85 2HA GLY 2 1HA GLY 2 4.834 -5.623 4.961
86 H ALA 3 H ALA 3 5.926 -6.765 3.585
87 HA ALA 3 HA ALA 3 6.242 -5.923 0.822
88 1HB ALA 3 1HB ALA 3 7.692 -7.630 2.651
89 2HB ALA 3 2HB ALA 3 8.229 -6.883 1.147
90 3HB ALA 3 3HB ALA 3 7.402 -8.440 1.112
91 H GLY 4 H GLY 4 5.172 -6.807 -0.877
92 1HA GLY 4 2HA GLY 4 4.056 -9.387 -0.934
93 2HA GLY 4 1HA GLY 4 2.802 -8.241 -0.480
94 H HIS 5 H HIS 5 1.578 -8.354 -2.328
95 HA HIS 5 HA HIS 5 2.875 -7.259 -4.733
96 1HB HIS 5 2HB HIS 5 0.812 -9.473 -4.757
97 2HB HIS 5 1HB HIS 5 1.575 -8.745 -6.166
98 HD1 HIS 5 HD1 HIS 5 4.504 -8.850 -5.434
99 HD2 HIS 5 HD2 HIS 5 1.868 -11.954 -4.628
100 HE1 HIS 5 HE1 HIS 5 5.931 -10.909 -5.239
101 HE2 HIS 5 HE2 HIS 5 4.333 -12.702 -4.483
102 H VAL 6 H VAL 6 -0.171 -7.806 -3.001
103 HA VAL 6 HA VAL 6 -1.519 -5.799 -4.622
104 HB VAL 6 HB VAL 6 -2.590 -7.250 -2.195
105 1HG1 VAL 6 1HG1 VAL 6 -4.778 -6.780 -3.447
106 2HG1 VAL 6 2HG1 VAL 6 -3.840 -5.604 -4.369
107 3HG1 VAL 6 3HG1 VAL 6 -3.994 -5.433 -2.620
108 1HG2 VAL 6 1HG2 VAL 6 -3.475 -8.148 -4.841
109 2HG2 VAL 6 2HG2 VAL 6 -3.054 -9.082 -3.406
110 3HG2 VAL 6 3HG2 VAL 6 -1.784 -8.495 -4.480
111 HA PRO 7 HA PRO 7 -0.241 -2.546 -1.852
112 1HB PRO 7 2HB PRO 7 -1.943 -0.627 -2.807
113 2HB PRO 7 1HB PRO 7 -0.422 -1.072 -3.588
114 1HG PRO 7 2HG PRO 7 -3.212 -1.928 -4.243
115 2HG PRO 7 1HG PRO 7 -1.890 -1.483 -5.337
116 1HD PRO 7 2HD PRO 7 -2.560 -4.053 -4.865
117 2HD PRO 7 1HD PRO 7 -0.883 -3.554 -5.168
118 H GLU 8 H GLU 8 -0.854 -2.035 0.146
119 HA GLU 8 HA GLU 8 -3.684 -2.403 0.854
120 1HB GLU 8 2HB GLU 8 -2.478 -2.388 3.268
121 2HB GLU 8 1HB GLU 8 -2.774 -3.847 2.336
122 1HG GLU 8 2HG GLU 8 -0.522 -3.822 1.495
123 2HG GLU 8 1HG GLU 8 -0.203 -2.284 2.286
124 H TYR 9 H TYR 9 -3.429 -0.132 -0.272
125 HA TYR 9 HA TYR 9 -3.911 1.770 1.809
126 1HB TYR 9 2HB TYR 9 -1.454 1.912 1.638
127 2HB TYR 9 1HB TYR 9 -1.593 2.298 -0.070
128 HD1 TYR 9 HD1 TYR 9 -1.091 4.516 -0.469
129 HD2 TYR 9 HD2 TYR 9 -3.267 3.520 3.049
130 HE1 TYR 9 HE1 TYR 9 -1.249 6.903 0.104
131 HE2 TYR 9 HE2 TYR 9 -3.432 5.902 3.630
132 HH TYR 9 HH TYR 9 -2.066 8.027 3.107
133 H PHE 10 HN PHE 10 -4.784 3.737 1.003
134 HA PHE 10 HA PHE 10 -5.362 4.065 -1.788
135 1HB PHE 10 2HB PHE 10 -7.037 2.330 -1.070
136 2HB PHE 10 1HB PHE 10 -7.671 3.488 0.093
137 HD1 PHE 10 HD1 PHE 10 -6.670 3.774 -3.493
138 HD2 PHE 10 HD2 PHE 10 -9.738 4.211 -0.577
139 HE1 PHE 10 HE1 PHE 10 -8.174 4.679 -5.217
140 HE2 PHE 10 HE2 PHE 10 -11.248 5.115 -2.296
141 HZ PHE 10 HZ PHE 10 -10.467 5.350 -4.619
Start of MODEL 4
1 1H VAL 11 1HT VAL 11 -4.950 7.599 2.090
2 2H VAL 11 2HT VAL 11 -4.957 8.661 3.408
3 3H VAL 11 3HT VAL 11 -3.571 8.524 2.451
4 HA VAL 11 HA VAL 11 -5.246 9.211 0.571
5 HB VAL 11 HB VAL 11 -6.732 11.014 1.434
6 1HG1 VAL 11 1HG1 VAL 11 -8.224 9.170 2.755
7 2HG1 VAL 11 2HG1 VAL 11 -7.104 8.136 1.867
8 3HG1 VAL 11 3HG1 VAL 11 -8.111 9.296 1.000
9 1HG2 VAL 11 1HG2 VAL 11 -6.421 9.794 4.161
10 2HG2 VAL 11 2HG2 VAL 11 -7.203 11.310 3.710
11 3HG2 VAL 11 3HG2 VAL 11 -5.446 11.170 3.646
12 H GLY 12 H GLY 12 -4.503 11.056 -0.441
13 1HA GLY 12 2HA GLY 12 -3.396 13.128 -0.582
14 2HA GLY 12 1HA GLY 12 -2.888 12.944 1.092
15 H ILE 13 H ILE 13 -0.834 12.412 1.436
16 HA ILE 13 HA ILE 13 1.000 12.087 -0.670
17 HB ILE 13 HB ILE 13 1.744 12.993 1.434
18 1HG1 ILE 13 2HG1 ILE 13 3.036 10.294 0.974
19 2HG1 ILE 13 1HG1 ILE 13 3.401 11.764 0.077
20 1HG2 ILE 13 1HG2 ILE 13 1.670 11.932 3.501
21 2HG2 ILE 13 2HG2 ILE 13 1.446 10.336 2.784
22 3HG2 ILE 13 3HG2 ILE 13 0.125 11.504 2.765
23 1HD1 ILE 13 1HD1 ILE 13 4.520 12.720 1.848
24 2HD1 ILE 13 2HD1 ILE 13 4.944 11.016 2.014
25 3HD1 ILE 13 3HD1 ILE 13 3.698 11.719 3.045
26 H GLY 14 H GLY 14 1.737 10.346 -1.727
27 1HA GLY 14 2HA GLY 14 0.381 7.915 -1.691
28 2HA GLY 14 1HA GLY 14 1.938 8.179 -2.448
29 H THR 15 H THR 15 3.541 8.688 -0.347
30 HA THR 15 HA THR 15 4.740 7.792 1.370
31 HB THR 15 HB THR 15 2.338 6.049 1.956
32 HG1 THR 15 HG1 THR 15 1.536 8.075 2.098
33 1HG2 THR 15 1HG2 THR 15 3.204 6.124 4.268
34 2HG2 THR 15 2HG2 THR 15 4.602 7.035 3.699
35 3HG2 THR 15 3HG2 THR 15 4.349 5.377 3.154
36 HA PRO 16 HA PRO 16 6.455 4.258 -0.760
37 1HB PRO 16 2HB PRO 16 8.413 4.087 1.399
38 2HB PRO 16 1HB PRO 16 8.655 4.543 -0.288
39 1HG PRO 16 2HG PRO 16 8.864 6.317 1.744
40 2HG PRO 16 1HG PRO 16 8.301 6.775 0.127
41 1HD PRO 16 2HD PRO 16 6.704 6.228 2.605
42 2HD PRO 16 1HD PRO 16 6.504 7.517 1.397
43 H ILE 17 H ILE 17 4.262 3.472 0.518
44 HA ILE 17 HA ILE 17 4.790 1.601 2.630
45 HB ILE 17 HB ILE 17 2.340 0.925 2.102
46 1HG1 ILE 17 2HG1 ILE 17 1.131 2.983 1.117
47 2HG1 ILE 17 1HG1 ILE 17 2.696 3.417 0.443
48 1HG2 ILE 17 1HG2 ILE 17 2.925 2.113 4.081
49 2HG2 ILE 17 2HG2 ILE 17 1.535 2.926 3.361
50 3HG2 ILE 17 3HG2 ILE 17 3.149 3.614 3.183
51 1HD1 ILE 17 1HD1 ILE 17 2.701 1.128 -0.637
52 2HD1 ILE 17 2HD1 ILE 17 1.545 2.304 -1.263
53 3HD1 ILE 17 3HD1 ILE 17 1.001 1.025 -0.177
54 H SER 18 H SER 18 4.274 -0.664 2.533
55 HA SER 18 HA SER 18 5.286 -1.870 0.100
56 1HB SER 18 2HB SER 18 5.007 -3.965 1.697
57 2HB SER 18 1HB SER 18 6.350 -2.838 1.894
58 HG SER 18 HG SER 18 5.584 -2.760 3.868
59 H PHE 19 H PHE 19 4.073 -4.366 0.162
60 HA PHE 19 HA PHE 19 1.206 -3.790 -0.234
61 1HB PHE 19 2HB PHE 19 2.918 -5.393 -2.148
62 2HB PHE 19 1HB PHE 19 1.208 -5.033 -2.324
63 HD1 PHE 19 HD1 PHE 19 0.520 -3.155 -3.500
64 HD2 PHE 19 HD2 PHE 19 4.560 -3.427 -2.193
65 HE1 PHE 19 HE1 PHE 19 1.082 -1.166 -4.833
66 HE2 PHE 19 HE2 PHE 19 5.127 -1.433 -3.517
67 HZ PHE 19 HZ PHE 19 3.387 -0.300 -4.840
68 H TYR 20 H TYR 20 0.127 -5.980 -0.866
69 HA TYR 20 HA TYR 20 1.199 -8.333 0.355
70 1HB TYR 20 2HB TYR 20 -0.664 -8.665 1.980
71 2HB TYR 20 1HB TYR 20 0.437 -7.375 2.418
72 HD1 TYR 20 HD1 TYR 20 -0.614 -5.640 3.476
73 HD2 TYR 20 HD2 TYR 20 -2.684 -7.616 0.333
74 HE1 TYR 20 HE1 TYR 20 -2.521 -4.122 3.786
75 HE2 TYR 20 HE2 TYR 20 -4.594 -6.099 0.630
76 HH TYR 20 HH TYR 20 -4.519 -3.301 2.034
77 H GLY 21 HN GLY 21 -0.329 -10.161 0.162
78 1HA GLY 21 2HA GLY 21 -1.700 -11.467 -1.136
79 2HA GLY 21 1HA GLY 21 -2.703 -10.037 -1.326
80 2H GLY 1 H GLY 1 3.064 -4.545 2.770
81 1HA GLY 1 2HA GLY 1 3.880 -4.807 5.452
82 2HA GLY 1 1HA GLY 1 3.141 -6.314 4.931
83 H GLY 2 H GLY 2 3.979 -6.217 2.222
84 1HA GLY 2 2HA GLY 2 6.809 -5.895 2.034
85 2HA GLY 2 1HA GLY 2 6.374 -7.575 2.299
86 H ALA 3 H ALA 3 6.552 -8.569 0.446
87 HA ALA 3 HA ALA 3 5.971 -7.281 -2.067
88 1HB ALA 3 1HB ALA 3 6.232 -10.115 -2.341
89 2HB ALA 3 2HB ALA 3 7.478 -9.524 -1.242
90 3HB ALA 3 3HB ALA 3 7.339 -8.846 -2.864
91 H GLY 4 H GLY 4 4.099 -7.425 -3.209
92 1HA GLY 4 2HA GLY 4 2.250 -9.535 -3.032
93 2HA GLY 4 1HA GLY 4 1.731 -8.241 -1.961
94 H HIS 5 H HIS 5 -0.065 -7.588 -3.075
95 HA HIS 5 HA HIS 5 0.475 -6.319 -5.672
96 1HB HIS 5 2HB HIS 5 -1.952 -8.003 -5.015
97 2HB HIS 5 1HB HIS 5 -1.765 -7.036 -6.472
98 HD1 HIS 5 HD1 HIS 5 -0.198 -10.036 -4.744
99 HD2 HIS 5 HD2 HIS 5 -0.492 -8.305 -8.524
100 HE1 HIS 5 HE1 HIS 5 0.893 -11.659 -6.327
101 HE2 HIS 5 HE2 HIS 5 0.819 -10.535 -8.579
102 H VAL 6 H VAL 6 -1.741 -6.544 -2.902
103 HA VAL 6 HA VAL 6 -2.851 -3.929 -3.527
104 HB VAL 6 HB VAL 6 -3.416 -5.667 -1.119
105 1HG1 VAL 6 1HG1 VAL 6 -5.407 -4.364 -0.853
106 2HG1 VAL 6 2HG1 VAL 6 -5.098 -3.493 -2.356
107 3HG1 VAL 6 3HG1 VAL 6 -4.038 -3.258 -0.966
108 1HG2 VAL 6 1HG2 VAL 6 -5.452 -5.587 -3.201
109 2HG2 VAL 6 2HG2 VAL 6 -4.793 -6.960 -2.313
110 3HG2 VAL 6 3HG2 VAL 6 -3.948 -6.339 -3.731
111 HA PRO 7 HA PRO 7 0.280 -1.866 -1.123
112 1HB PRO 7 2HB PRO 7 -1.579 0.420 -1.214
113 2HB PRO 7 1HB PRO 7 0.069 0.287 -1.834
114 1HG PRO 7 2HG PRO 7 -2.049 0.361 -3.478
115 2HG PRO 7 1HG PRO 7 -0.617 -0.620 -3.843
116 1HD PRO 7 2HD PRO 7 -3.269 -1.471 -2.743
117 2HD PRO 7 1HD PRO 7 -2.244 -2.267 -3.955
118 H GLU 8 H GLU 8 0.625 -1.539 0.998
119 HA GLU 8 HA GLU 8 -1.586 -1.956 2.830
120 1HB GLU 8 2HB GLU 8 1.327 -1.449 3.472
121 2HB GLU 8 1HB GLU 8 0.105 -2.095 4.561
122 1HG GLU 8 2HG GLU 8 -0.127 -4.015 2.935
123 2HG GLU 8 1HG GLU 8 1.336 -3.407 2.167
124 H TYR 9 H TYR 9 -2.257 0.223 1.674
125 HA TYR 9 HA TYR 9 -2.090 2.245 3.714
126 1HB TYR 9 2HB TYR 9 -0.054 2.755 2.515
127 2HB TYR 9 1HB TYR 9 -0.907 2.741 0.982
128 HD1 TYR 9 HD1 TYR 9 -1.448 4.760 0.056
129 HD2 TYR 9 HD2 TYR 9 -1.045 4.502 4.283
130 HE1 TYR 9 HE1 TYR 9 -1.819 7.180 0.231
131 HE2 TYR 9 HE2 TYR 9 -1.420 6.926 4.470
132 HH TYR 9 HH TYR 9 -1.140 9.017 1.989
133 H PHE 10 HN PHE 10 -3.543 3.945 3.391
134 HA PHE 10 HA PHE 10 -5.443 3.778 1.191
135 1HB PHE 10 2HB PHE 10 -6.268 3.646 4.109
136 2HB PHE 10 1HB PHE 10 -7.374 3.924 2.772
137 HD1 PHE 10 HD1 PHE 10 -5.177 1.446 4.385
138 HD2 PHE 10 HD2 PHE 10 -8.147 2.134 1.416
139 HE1 PHE 10 HE1 PHE 10 -5.484 -0.982 4.136
140 HE2 PHE 10 HE2 PHE 10 -8.461 -0.293 1.163
141 HZ PHE 10 HZ PHE 10 -7.128 -1.854 2.523
Start of MODEL 5
1 1H VAL 11 1HT VAL 11 -4.429 10.038 -0.214
2 2H VAL 11 2HT VAL 11 -4.614 9.768 1.443
3 3H VAL 11 3HT VAL 11 -4.558 8.454 0.374
4 HA VAL 11 HA VAL 11 -2.317 8.651 0.000
5 HB VAL 11 HB VAL 11 -2.387 11.394 1.279
6 1HG1 VAL 11 1HG1 VAL 11 -0.262 10.007 1.430
7 2HG1 VAL 11 2HG1 VAL 11 -0.114 11.610 0.708
8 3HG1 VAL 11 3HG1 VAL 11 -0.152 10.179 -0.322
9 1HG2 VAL 11 1HG2 VAL 11 -1.843 10.908 -1.621
10 2HG2 VAL 11 2HG2 VAL 11 -2.381 12.381 -0.814
11 3HG2 VAL 11 3HG2 VAL 11 -3.503 11.039 -1.040
12 H GLY 12 H GLY 12 -1.270 7.362 1.356
13 1HA GLY 12 2HA GLY 12 -2.068 7.135 4.089
14 2HA GLY 12 1HA GLY 12 -0.788 6.229 3.298
15 H ILE 13 H ILE 13 -1.002 7.660 5.939
16 HA ILE 13 HA ILE 13 0.849 9.834 5.786
17 HB ILE 13 HB ILE 13 0.923 9.568 8.321
18 1HG1 ILE 13 2HG1 ILE 13 -1.310 8.307 9.034
19 2HG1 ILE 13 1HG1 ILE 13 -0.952 7.359 7.596
20 1HG2 ILE 13 1HG2 ILE 13 -0.406 11.278 7.404
21 2HG2 ILE 13 2HG2 ILE 13 -1.442 10.433 8.554
22 3HG2 ILE 13 3HG2 ILE 13 -1.617 10.135 6.824
23 1HD1 ILE 13 1HD1 ILE 13 0.944 7.766 9.896
24 2HD1 ILE 13 2HD1 ILE 13 1.181 6.713 8.501
25 3HD1 ILE 13 3HD1 ILE 13 -0.090 6.355 9.670
26 H GLY 14 H GLY 14 3.021 9.859 6.261
27 1HA GLY 14 2HA GLY 14 5.121 9.002 6.779
28 2HA GLY 14 1HA GLY 14 4.378 7.455 7.144
29 H THR 15 H THR 15 3.066 6.971 4.788
30 HA THR 15 HA THR 15 4.999 7.122 2.620
31 HB THR 15 HB THR 15 3.929 4.434 3.520
32 HG1 THR 15 HG1 THR 15 6.072 5.888 4.408
33 1HG2 THR 15 1HG2 THR 15 6.310 4.362 1.924
34 2HG2 THR 15 2HG2 THR 15 5.081 5.323 1.102
35 3HG2 THR 15 3HG2 THR 15 4.727 3.664 1.584
36 HA PRO 16 HA PRO 16 1.089 8.030 0.685
37 1HB PRO 16 2HB PRO 16 2.080 7.788 -1.904
38 2HB PRO 16 1HB PRO 16 2.095 9.257 -0.926
39 1HG PRO 16 2HG PRO 16 4.267 7.264 -1.392
40 2HG PRO 16 1HG PRO 16 4.372 9.029 -1.247
41 1HD PRO 16 2HD PRO 16 5.095 7.422 0.768
42 2HD PRO 16 1HD PRO 16 4.274 8.968 1.071
43 H ILE 17 H ILE 17 3.053 5.390 -0.724
44 HA ILE 17 HA ILE 17 0.544 3.885 -1.042
45 HB ILE 17 HB ILE 17 1.298 2.857 -3.048
46 1HG1 ILE 17 2HG1 ILE 17 3.715 2.679 -2.408
47 2HG1 ILE 17 1HG1 ILE 17 3.448 3.167 -4.075
48 1HG2 ILE 17 1HG2 ILE 17 0.275 4.952 -3.465
49 2HG2 ILE 17 2HG2 ILE 17 1.654 4.821 -4.556
50 3HG2 ILE 17 3HG2 ILE 17 1.765 5.825 -3.110
51 1HD1 ILE 17 1HD1 ILE 17 4.393 5.188 -3.771
52 2HD1 ILE 17 2HD1 ILE 17 5.210 4.344 -2.455
53 3HD1 ILE 17 3HD1 ILE 17 3.796 5.343 -2.118
54 H SER 18 H SER 18 0.604 1.671 -0.663
55 HA SER 18 HA SER 18 3.087 0.573 0.413
56 1HB SER 18 2HB SER 18 1.529 -0.549 2.192
57 2HB SER 18 1HB SER 18 2.101 1.096 2.451
58 HG SER 18 HG SER 18 0.132 1.882 1.926
59 H PHE 19 H PHE 19 2.372 -1.915 1.058
60 HA PHE 19 HA PHE 19 0.813 -2.982 -1.194
61 1HB PHE 19 2HB PHE 19 3.574 -3.976 -0.440
62 2HB PHE 19 1HB PHE 19 2.536 -4.655 -1.684
63 HD1 PHE 19 HD1 PHE 19 2.559 -3.810 -3.868
64 HD2 PHE 19 HD2 PHE 19 4.501 -1.654 -0.756
65 HE1 PHE 19 HE1 PHE 19 3.613 -2.348 -5.542
66 HE2 PHE 19 HE2 PHE 19 5.550 -0.182 -2.424
67 HZ PHE 19 HZ PHE 19 5.107 -0.529 -4.821
68 H TYR 20 H TYR 20 0.596 -5.409 -0.949
69 HA TYR 20 HA TYR 20 0.726 -6.442 1.745
70 1HB TYR 20 2HB TYR 20 -1.634 -7.005 1.933
71 2HB TYR 20 1HB TYR 20 -1.431 -5.272 1.803
72 HD1 TYR 20 HD1 TYR 20 -2.533 -8.306 0.010
73 HD2 TYR 20 HD2 TYR 20 -2.391 -4.057 -0.020
74 HE1 TYR 20 HE1 TYR 20 -4.157 -8.271 -1.835
75 HE2 TYR 20 HE2 TYR 20 -4.014 -4.009 -1.864
76 HH TYR 20 HH TYR 20 -5.039 -5.264 -3.444
77 H GLY 21 HN GLY 21 0.034 -8.707 1.819
78 1HA GLY 21 2HA GLY 21 0.212 -10.865 1.049
79 2HA GLY 21 1HA GLY 21 -0.482 -10.267 -0.451
80 2H GLY 1 H GLY 1 -0.776 -0.495 2.424
81 1HA GLY 1 2HA GLY 1 -1.923 -0.872 4.612
82 2HA GLY 1 1HA GLY 1 -1.769 -2.589 4.261
83 H GLY 2 H GLY 2 0.829 -2.594 3.207
84 1HA GLY 2 2HA GLY 2 2.718 -1.300 4.877
85 2HA GLY 2 1HA GLY 2 2.375 -2.903 5.499
86 H ALA 3 H ALA 3 3.944 -4.181 4.959
87 HA ALA 3 HA ALA 3 5.299 -3.891 2.390
88 1HB ALA 3 1HB ALA 3 5.920 -5.358 4.926
89 2HB ALA 3 2HB ALA 3 6.897 -4.181 4.049
90 3HB ALA 3 3HB ALA 3 6.711 -5.818 3.419
91 H GLY 4 H GLY 4 5.000 -5.298 0.722
92 1HA GLY 4 2HA GLY 4 4.132 -7.967 1.014
93 2HA GLY 4 1HA GLY 4 2.752 -6.948 0.634
94 H HIS 5 H HIS 5 2.313 -7.603 -1.413
95 HA HIS 5 HA HIS 5 4.418 -7.076 -3.403
96 1HB HIS 5 2HB HIS 5 2.499 -9.415 -3.431
97 2HB HIS 5 1HB HIS 5 3.589 -8.991 -4.744
98 HD1 HIS 5 HD1 HIS 5 3.693 -10.159 -1.131
99 HD2 HIS 5 HD2 HIS 5 6.093 -10.056 -4.537
100 HE1 HIS 5 HE1 HIS 5 5.765 -11.463 -0.548
101 HE2 HIS 5 HE2 HIS 5 7.253 -11.274 -2.572
102 H VAL 6 H VAL 6 0.930 -7.464 -2.843
103 HA VAL 6 HA VAL 6 0.301 -6.098 -5.323
104 HB VAL 6 HB VAL 6 -1.611 -6.869 -3.113
105 1HG1 VAL 6 1HG1 VAL 6 -3.259 -6.176 -4.446
106 2HG1 VAL 6 2HG1 VAL 6 -2.556 -6.963 -5.860
107 3HG1 VAL 6 3HG1 VAL 6 -2.010 -5.355 -5.383
108 1HG2 VAL 6 1HG2 VAL 6 -0.521 -8.498 -5.390
109 2HG2 VAL 6 2HG2 VAL 6 -2.064 -8.871 -4.622
110 3HG2 VAL 6 3HG2 VAL 6 -0.577 -8.903 -3.675
111 HA PRO 7 HA PRO 7 0.580 -2.086 -3.421
112 1HB PRO 7 2HB PRO 7 -0.971 -1.178 -5.758
113 2HB PRO 7 1HB PRO 7 0.642 -0.699 -5.223
114 1HG PRO 7 2HG PRO 7 0.281 -2.236 -7.391
115 2HG PRO 7 1HG PRO 7 1.671 -2.456 -6.312
116 1HD PRO 7 2HD PRO 7 -0.860 -4.047 -6.495
117 2HD PRO 7 1HD PRO 7 0.810 -4.607 -6.261
118 H GLU 8 H GLU 8 -0.646 -0.958 -2.070
119 HA GLU 8 HA GLU 8 -3.576 -1.093 -2.326
120 1HB GLU 8 2HB GLU 8 -3.554 -1.057 0.264
121 2HB GLU 8 1HB GLU 8 -3.262 -2.584 -0.560
122 1HG GLU 8 2HG GLU 8 -0.965 -2.490 -0.141
123 2HG GLU 8 1HG GLU 8 -1.029 -0.801 0.329
124 H TYR 9 H TYR 9 -3.169 0.976 -3.352
125 HA TYR 9 HA TYR 9 -2.177 3.145 -1.749
126 1HB TYR 9 2HB TYR 9 -1.851 3.202 -4.159
127 2HB TYR 9 1HB TYR 9 -3.587 3.192 -4.415
128 HD1 TYR 9 HD1 TYR 9 -1.200 5.190 -2.332
129 HD2 TYR 9 HD2 TYR 9 -4.414 5.219 -5.119
130 HE1 TYR 9 HE1 TYR 9 -1.219 7.648 -2.275
131 HE2 TYR 9 HE2 TYR 9 -4.441 7.677 -5.071
132 HH TYR 9 HH TYR 9 -2.982 9.525 -4.531
133 H PHE 10 HN PHE 10 -3.296 4.839 -0.990
134 HA PHE 10 HA PHE 10 -6.132 5.074 -1.081
135 1HB PHE 10 2HB PHE 10 -6.285 4.935 1.513
136 2HB PHE 10 1HB PHE 10 -6.326 3.445 0.583
137 HD1 PHE 10 HD1 PHE 10 -3.565 5.629 1.876
138 HD2 PHE 10 HD2 PHE 10 -5.293 1.744 1.687
139 HE1 PHE 10 HE1 PHE 10 -1.696 4.736 3.202
140 HE2 PHE 10 HE2 PHE 10 -3.427 0.846 3.013
141 HZ PHE 10 HZ PHE 10 -1.625 2.342 3.772
Start of MODEL 6
1 1H VAL 11 1HT VAL 11 -0.083 8.943 6.309
2 2H VAL 11 2HT VAL 11 0.000 7.509 5.406
3 3H VAL 11 3HT VAL 11 -1.499 8.224 5.717
4 HA VAL 11 HA VAL 11 0.078 8.588 3.514
5 HB VAL 11 HB VAL 11 -2.375 8.797 3.624
6 1HG1 VAL 11 1HG1 VAL 11 -1.730 11.224 5.240
7 2HG1 VAL 11 2HG1 VAL 11 -2.918 9.956 5.542
8 3HG1 VAL 11 3HG1 VAL 11 -3.213 11.161 4.288
9 1HG2 VAL 11 1HG2 VAL 11 -0.959 11.211 2.506
10 2HG2 VAL 11 2HG2 VAL 11 -2.616 10.748 2.117
11 3HG2 VAL 11 3HG2 VAL 11 -1.277 9.687 1.678
12 H GLY 12 H GLY 12 1.298 10.282 2.672
13 1HA GLY 12 2HA GLY 12 1.673 12.743 4.076
14 2HA GLY 12 1HA GLY 12 3.015 11.638 4.339
15 H ILE 13 H ILE 13 4.548 12.784 3.236
16 HA ILE 13 HA ILE 13 4.105 13.786 0.586
17 HB ILE 13 HB ILE 13 6.587 14.238 0.639
18 1HG1 ILE 13 2HG1 ILE 13 6.303 13.307 3.509
19 2HG1 ILE 13 1HG1 ILE 13 7.172 12.440 2.247
20 1HG2 ILE 13 1HG2 ILE 13 5.981 16.228 1.413
21 2HG2 ILE 13 2HG2 ILE 13 5.798 15.591 3.047
22 3HG2 ILE 13 3HG2 ILE 13 4.448 15.514 1.915
23 1HD1 ILE 13 1HD1 ILE 13 8.272 14.983 2.217
24 2HD1 ILE 13 2HD1 ILE 13 8.984 13.526 2.909
25 3HD1 ILE 13 3HD1 ILE 13 8.041 14.616 3.926
26 H GLY 14 H GLY 14 3.440 11.207 0.395
27 1HA GLY 14 2HA GLY 14 4.798 10.231 -1.767
28 2HA GLY 14 1HA GLY 14 5.612 9.513 -0.382
29 H THR 15 H THR 15 3.304 8.972 -2.612
30 HA THR 15 HA THR 15 1.936 7.033 -0.879
31 HB THR 15 HB THR 15 -0.110 7.450 -2.377
32 HG1 THR 15 HG1 THR 15 0.532 8.778 -3.954
33 1HG2 THR 15 1HG2 THR 15 0.910 9.228 -0.213
34 2HG2 THR 15 2HG2 THR 15 -0.473 8.134 -0.214
35 3HG2 THR 15 3HG2 THR 15 -0.574 9.684 -1.050
36 HA PRO 16 HA PRO 16 3.719 5.109 -4.800
37 1HB PRO 16 2HB PRO 16 4.874 3.162 -2.926
38 2HB PRO 16 1HB PRO 16 5.665 4.093 -4.201
39 1HG PRO 16 2HG PRO 16 6.083 4.613 -1.596
40 2HG PRO 16 1HG PRO 16 6.067 5.896 -2.821
41 1HD PRO 16 2HD PRO 16 3.921 5.092 -0.888
42 2HD PRO 16 1HD PRO 16 4.451 6.719 -1.370
43 H ILE 17 H ILE 17 2.468 3.635 -1.854
44 HA ILE 17 HA ILE 17 0.821 2.136 -1.444
45 HB ILE 17 HB ILE 17 0.198 2.163 -4.391
46 1HG1 ILE 17 2HG1 ILE 17 0.051 4.438 -3.496
47 2HG1 ILE 17 1HG1 ILE 17 -1.553 3.806 -3.844
48 1HG2 ILE 17 1HG2 ILE 17 -0.740 0.268 -3.152
49 2HG2 ILE 17 2HG2 ILE 17 -1.993 1.359 -3.742
50 3HG2 ILE 17 3HG2 ILE 17 -1.522 1.395 -2.043
51 1HD1 ILE 17 1HD1 ILE 17 -1.169 5.106 -1.663
52 2HD1 ILE 17 2HD1 ILE 17 -0.414 3.618 -1.090
53 3HD1 ILE 17 3HD1 ILE 17 -2.101 3.609 -1.606
54 H SER 18 H SER 18 0.672 -0.025 -1.276
55 HA SER 18 HA SER 18 1.788 -1.840 -3.159
56 1HB SER 18 2HB SER 18 3.381 -2.808 -1.327
57 2HB SER 18 1HB SER 18 3.915 -1.471 -2.334
58 HG SER 18 HG SER 18 3.827 -0.150 -0.660
59 H PHE 19 H PHE 19 1.772 -4.106 -2.244
60 HA PHE 19 HA PHE 19 -0.298 -4.446 -0.184
61 1HB PHE 19 2HB PHE 19 -0.347 -5.875 -2.854
62 2HB PHE 19 1HB PHE 19 -1.504 -6.065 -1.546
63 HD1 PHE 19 HD1 PHE 19 -3.362 -4.644 -1.357
64 HD2 PHE 19 HD2 PHE 19 -0.249 -3.697 -4.098
65 HE1 PHE 19 HE1 PHE 19 -4.783 -2.910 -2.366
66 HE2 PHE 19 HE2 PHE 19 -1.661 -1.954 -5.107
67 HZ PHE 19 HZ PHE 19 -3.933 -1.559 -4.241
68 H TYR 20 H TYR 20 -0.573 -6.860 0.238
69 HA TYR 20 HA TYR 20 1.772 -8.493 -0.168
70 1HB TYR 20 2HB TYR 20 2.195 -8.921 2.201
71 2HB TYR 20 1HB TYR 20 2.453 -7.233 1.816
72 HD1 TYR 20 HD1 TYR 20 1.231 -5.534 2.928
73 HD2 TYR 20 HD2 TYR 20 0.112 -9.603 3.438
74 HE1 TYR 20 HE1 TYR 20 -0.246 -4.888 4.783
75 HE2 TYR 20 HE2 TYR 20 -1.375 -8.968 5.290
76 HH TYR 20 HH TYR 20 -2.018 -5.619 6.060
77 H GLY 21 HN GLY 21 1.455 -10.661 0.731
78 1HA GLY 21 2HA GLY 21 0.209 -12.585 0.886
79 2HA GLY 21 1HA GLY 21 -0.976 -11.610 1.743
80 2H GLY 1 H GLY 1 3.946 -2.673 0.478
81 1HA GLY 1 2HA GLY 1 6.228 -3.394 1.166
82 2HA GLY 1 1HA GLY 1 5.553 -5.012 1.303
83 H GLY 2 H GLY 2 3.996 -5.099 -1.012
84 1HA GLY 2 2HA GLY 2 5.418 -4.296 -3.336
85 2HA GLY 2 1HA GLY 2 5.839 -5.944 -2.914
86 H ALA 3 H ALA 3 4.808 -7.236 -4.206
87 HA ALA 3 HA ALA 3 2.142 -6.611 -5.173
88 1HB ALA 3 1HB ALA 3 3.921 -8.980 -5.761
89 2HB ALA 3 2HB ALA 3 3.791 -7.520 -6.741
90 3HB ALA 3 3HB ALA 3 2.404 -8.597 -6.576
91 H GLY 4 H GLY 4 0.294 -7.559 -4.444
92 1HA GLY 4 2HA GLY 4 0.145 -10.064 -3.177
93 2HA GLY 4 1HA GLY 4 0.245 -8.816 -1.942
94 H HIS 5 H HIS 5 -1.797 -8.924 -1.125
95 HA HIS 5 HA HIS 5 -3.942 -8.133 -2.976
96 1HB HIS 5 2HB HIS 5 -4.168 -10.249 -0.824
97 2HB HIS 5 1HB HIS 5 -5.521 -9.603 -1.743
98 HD1 HIS 5 HD1 HIS 5 -2.337 -11.610 -2.261
99 HD2 HIS 5 HD2 HIS 5 -5.994 -10.865 -4.115
100 HE1 HIS 5 HE1 HIS 5 -2.430 -13.162 -4.239
101 HE2 HIS 5 HE2 HIS 5 -4.586 -12.602 -5.415
102 H VAL 6 H VAL 6 -2.922 -8.382 0.419
103 HA VAL 6 HA VAL 6 -4.883 -6.393 1.220
104 HB VAL 6 HB VAL 6 -2.684 -7.611 2.899
105 1HG1 VAL 6 1HG1 VAL 6 -4.501 -5.543 3.417
106 2HG1 VAL 6 2HG1 VAL 6 -3.466 -6.381 4.574
107 3HG1 VAL 6 3HG1 VAL 6 -5.110 -6.951 4.287
108 1HG2 VAL 6 1HG2 VAL 6 -3.789 -9.538 2.476
109 2HG2 VAL 6 2HG2 VAL 6 -5.272 -8.711 2.000
110 3HG2 VAL 6 3HG2 VAL 6 -4.886 -8.916 3.709
111 HA PRO 7 HA PRO 7 -2.092 -3.028 0.347
112 1HB PRO 7 2HB PRO 7 -3.881 -1.457 2.082
113 2HB PRO 7 1HB PRO 7 -3.487 -1.230 0.376
114 1HG PRO 7 2HG PRO 7 -5.894 -2.124 1.159
115 2HG PRO 7 1HG PRO 7 -5.124 -2.693 -0.334
116 1HD PRO 7 2HD PRO 7 -5.319 -4.041 2.332
117 2HD PRO 7 1HD PRO 7 -5.484 -4.733 0.705
118 H GLU 8 H GLU 8 -0.312 -2.296 1.320
119 HA GLU 8 HA GLU 8 -0.191 -2.426 4.258
120 1HB GLU 8 2HB GLU 8 2.407 -2.540 3.644
121 2HB GLU 8 1HB GLU 8 1.403 -3.974 3.783
122 1HG GLU 8 2HG GLU 8 1.170 -4.137 1.426
123 2HG GLU 8 1HG GLU 8 1.917 -2.563 1.181
124 H TYR 9 H TYR 9 -1.199 -0.194 3.552
125 HA TYR 9 HA TYR 9 0.788 1.745 4.235
126 1HB TYR 9 2HB TYR 9 1.119 1.657 1.796
127 2HB TYR 9 1HB TYR 9 -0.579 2.034 1.547
128 HD1 TYR 9 HD1 TYR 9 2.330 3.420 3.464
129 HD2 TYR 9 HD2 TYR 9 -1.041 4.228 0.997
130 HE1 TYR 9 HE1 TYR 9 2.870 5.819 3.522
131 HE2 TYR 9 HE2 TYR 9 -0.509 6.628 1.046
132 HH TYR 9 HH TYR 9 2.224 7.901 1.685
133 H PHE 10 HN PHE 10 -0.098 3.747 4.781
134 HA PHE 10 HA PHE 10 -2.912 4.233 4.713
135 1HB PHE 10 2HB PHE 10 -3.103 4.364 7.245
136 2HB PHE 10 1HB PHE 10 -3.044 2.742 6.570
137 HD1 PHE 10 HD1 PHE 10 -1.687 1.207 7.585
138 HD2 PHE 10 HD2 PHE 10 -0.716 5.336 7.936
139 HE1 PHE 10 HE1 PHE 10 0.169 0.639 9.096
140 HE2 PHE 10 HE2 PHE 10 1.145 4.774 9.443
141 HZ PHE 10 HZ PHE 10 1.589 2.423 10.024
Start of MODEL 7
1 1H VAL 11 1HT VAL 11 1.698 3.836 3.370
2 2H VAL 11 2HT VAL 11 1.643 5.112 4.481
3 3H VAL 11 3HT VAL 11 2.934 4.015 4.513
4 HA VAL 11 HA VAL 11 2.331 6.058 2.476
5 HB VAL 11 HB VAL 11 4.852 5.511 4.062
6 1HG1 VAL 11 1HG1 VAL 11 4.192 7.300 1.835
7 2HG1 VAL 11 2HG1 VAL 11 5.756 6.699 2.386
8 3HG1 VAL 11 3HG1 VAL 11 5.011 8.082 3.187
9 1HG2 VAL 11 1HG2 VAL 11 2.457 6.792 4.880
10 2HG2 VAL 11 2HG2 VAL 11 3.699 8.030 4.690
11 3HG2 VAL 11 3HG2 VAL 11 3.982 6.653 5.754
12 H GLY 12 H GLY 12 3.054 5.751 0.448
13 1HA GLY 12 2HA GLY 12 5.127 3.905 -0.229
14 2HA GLY 12 1HA GLY 12 3.533 3.260 -0.603
15 H ILE 13 H ILE 13 2.752 3.704 -2.541
16 HA ILE 13 HA ILE 13 4.145 5.472 -4.315
17 HB ILE 13 HB ILE 13 1.477 4.159 -4.848
18 1HG1 ILE 13 2HG1 ILE 13 4.235 2.982 -5.287
19 2HG1 ILE 13 1HG1 ILE 13 3.124 2.489 -4.013
20 1HG2 ILE 13 1HG2 ILE 13 3.318 4.252 -7.052
21 2HG2 ILE 13 2HG2 ILE 13 3.119 5.861 -6.360
22 3HG2 ILE 13 3HG2 ILE 13 1.708 4.959 -6.912
23 1HD1 ILE 13 1HD1 ILE 13 3.153 0.965 -5.953
24 2HD1 ILE 13 2HD1 ILE 13 2.541 2.279 -6.958
25 3HD1 ILE 13 3HD1 ILE 13 1.562 1.653 -5.631
26 H GLY 14 H GLY 14 3.695 7.271 -2.654
27 1HA GLY 14 2HA GLY 14 2.816 9.409 -2.522
28 2HA GLY 14 1HA GLY 14 1.651 8.987 -3.762
29 H THR 15 H THR 15 0.511 6.773 -2.510
30 HA THR 15 HA THR 15 -1.421 8.024 -0.885
31 HB THR 15 HB THR 15 -2.004 5.479 -0.442
32 HG1 THR 15 HG1 THR 15 -0.901 4.963 -2.900
33 1HG2 THR 15 1HG2 THR 15 -3.546 6.656 -1.699
34 2HG2 THR 15 2HG2 THR 15 -2.954 5.489 -2.882
35 3HG2 THR 15 3HG2 THR 15 -2.351 7.146 -2.900
36 HA PRO 16 HA PRO 16 0.499 7.803 3.104
37 1HB PRO 16 2HB PRO 16 -2.227 7.953 4.195
38 2HB PRO 16 1HB PRO 16 -0.894 9.101 4.347
39 1HG PRO 16 2HG PRO 16 -3.055 9.630 2.840
40 2HG PRO 16 1HG PRO 16 -1.435 10.193 2.389
41 1HD PRO 16 2HD PRO 16 -2.995 7.864 1.332
42 2HD PRO 16 1HD PRO 16 -1.998 9.044 0.455
43 H ILE 17 H ILE 17 -2.120 5.729 2.142
44 HA ILE 17 HA ILE 17 -2.311 4.032 4.346
45 HB ILE 17 HB ILE 17 -3.216 2.347 2.771
46 1HG1 ILE 17 2HG1 ILE 17 -2.528 4.416 0.667
47 2HG1 ILE 17 1HG1 ILE 17 -1.758 2.843 0.850
48 1HG2 ILE 17 1HG2 ILE 17 -4.174 5.156 2.887
49 2HG2 ILE 17 2HG2 ILE 17 -4.907 3.681 3.519
50 3HG2 ILE 17 3HG2 ILE 17 -4.995 4.041 1.794
51 1HD1 ILE 17 1HD1 ILE 17 -4.644 2.652 0.599
52 2HD1 ILE 17 2HD1 ILE 17 -3.367 1.820 -0.288
53 3HD1 ILE 17 3HD1 ILE 17 -3.880 3.433 -0.786
54 H SER 18 H SER 18 -1.574 1.821 4.576
55 HA SER 18 HA SER 18 1.244 1.611 4.088
56 1HB SER 18 2HB SER 18 0.640 -0.732 5.237
57 2HB SER 18 1HB SER 18 0.816 0.762 6.155
58 HG SER 18 HG SER 18 -1.145 -0.399 6.621
59 H PHE 19 H PHE 19 2.136 -0.548 3.376
60 HA PHE 19 HA PHE 19 0.577 -1.741 1.180
61 1HB PHE 19 2HB PHE 19 3.380 -0.621 1.019
62 2HB PHE 19 1HB PHE 19 2.756 -1.777 -0.146
63 HD1 PHE 19 HD1 PHE 19 1.792 1.511 1.365
64 HD2 PHE 19 HD2 PHE 19 1.908 -0.961 -2.093
65 HE1 PHE 19 HE1 PHE 19 0.863 3.350 0.023
66 HE2 PHE 19 HE2 PHE 19 0.979 0.873 -3.441
67 HZ PHE 19 HZ PHE 19 0.454 3.032 -2.383
68 H TYR 20 H TYR 20 1.966 -3.625 0.259
69 HA TYR 20 HA TYR 20 3.690 -5.007 2.059
70 1HB TYR 20 2HB TYR 20 2.291 -6.964 2.483
71 2HB TYR 20 1HB TYR 20 1.580 -5.526 3.185
72 HD1 TYR 20 HD1 TYR 20 1.252 -8.077 0.565
73 HD2 TYR 20 HD2 TYR 20 -0.523 -4.656 2.357
74 HE1 TYR 20 HE1 TYR 20 -0.863 -8.578 -0.586
75 HE2 TYR 20 HE2 TYR 20 -2.643 -5.147 1.216
76 HH TYR 20 HH TYR 20 -3.539 -6.348 -0.561
77 H GLY 21 HN GLY 21 4.279 -7.145 1.196
78 1HA GLY 21 2HA GLY 21 5.061 -8.441 -0.532
79 2HA GLY 21 1HA GLY 21 3.560 -8.047 -1.359
80 2H GLY 1 H GLY 1 1.007 -2.890 4.600
81 1HA GLY 1 2HA GLY 1 0.369 -2.876 7.461
82 2HA GLY 1 1HA GLY 1 1.474 -4.111 6.877
83 H GLY 2 H GLY 2 2.903 -2.608 4.998
84 1HA GLY 2 2HA GLY 2 3.934 -0.216 6.229
85 2HA GLY 2 1HA GLY 2 4.998 -1.598 6.405
86 H ALA 3 H ALA 3 6.557 -1.454 5.002
87 HA ALA 3 HA ALA 3 6.243 -0.123 2.467
88 1HB ALA 3 1HB ALA 3 8.353 -0.218 3.976
89 2HB ALA 3 2HB ALA 3 8.546 -0.304 2.225
90 3HB ALA 3 3HB ALA 3 8.634 -1.774 3.196
91 H GLY 4 H GLY 4 5.923 -1.072 0.497
92 1HA GLY 4 2HA GLY 4 6.544 -3.737 -0.140
93 2HA GLY 4 1HA GLY 4 4.858 -3.660 0.352
94 H HIS 5 H HIS 5 3.962 -4.109 -1.628
95 HA HIS 5 HA HIS 5 4.320 -2.004 -3.657
96 1HB HIS 5 2HB HIS 5 4.049 -4.970 -4.195
97 2HB HIS 5 1HB HIS 5 4.033 -3.717 -5.429
98 HD1 HIS 5 HD1 HIS 5 6.365 -5.168 -2.799
99 HD2 HIS 5 HD2 HIS 5 6.494 -3.056 -6.390
100 HE1 HIS 5 HE1 HIS 5 8.803 -4.985 -3.400
101 HE2 HIS 5 HE2 HIS 5 8.844 -3.834 -5.639
102 H VAL 6 H VAL 6 2.216 -4.550 -2.377
103 HA VAL 6 HA VAL 6 -0.086 -3.416 -3.757
104 HB VAL 6 HB VAL 6 -0.053 -5.721 -1.801
105 1HG1 VAL 6 1HG1 VAL 6 -2.260 -5.596 -2.046
106 2HG1 VAL 6 2HG1 VAL 6 -2.028 -6.100 -3.721
107 3HG1 VAL 6 3HG1 VAL 6 -2.115 -4.385 -3.320
108 1HG2 VAL 6 1HG2 VAL 6 0.572 -7.189 -3.408
109 2HG2 VAL 6 2HG2 VAL 6 1.386 -5.768 -4.063
110 3HG2 VAL 6 3HG2 VAL 6 -0.182 -6.260 -4.704
111 HA PRO 7 HA PRO 7 -0.959 -0.786 -0.266
112 1HB PRO 7 2HB PRO 7 -3.607 -0.456 -1.497
113 2HB PRO 7 1HB PRO 7 -2.352 0.749 -1.196
114 1HG PRO 7 2HG PRO 7 -2.936 -0.098 -3.679
115 2HG PRO 7 1HG PRO 7 -1.284 0.333 -3.197
116 1HD PRO 7 2HD PRO 7 -2.531 -2.377 -3.480
117 2HD PRO 7 1HD PRO 7 -0.914 -1.824 -3.967
118 H GLU 8 H GLU 8 -1.910 -1.038 1.678
119 HA GLU 8 HA GLU 8 -3.505 -3.408 2.142
120 1HB GLU 8 2HB GLU 8 -2.369 -1.316 4.006
121 2HB GLU 8 1HB GLU 8 -3.362 -2.658 4.556
122 1HG GLU 8 2HG GLU 8 -1.696 -4.216 3.593
123 2HG GLU 8 1HG GLU 8 -0.681 -2.828 3.208
124 H TYR 9 H TYR 9 -4.953 -1.972 0.559
125 HA TYR 9 HA TYR 9 -7.267 -1.303 2.116
126 1HB TYR 9 2HB TYR 9 -6.059 0.828 2.212
127 2HB TYR 9 1HB TYR 9 -5.960 0.867 0.460
128 HD1 TYR 9 HD1 TYR 9 -7.403 2.355 -0.530
129 HD2 TYR 9 HD2 TYR 9 -8.641 0.387 3.033
130 HE1 TYR 9 HE1 TYR 9 -9.543 3.563 -0.614
131 HE2 TYR 9 HE2 TYR 9 -10.785 1.587 2.958
132 HH TYR 9 HH TYR 9 -12.125 2.793 0.613
133 H PHE 10 HN PHE 10 -9.125 -1.046 0.826
134 HA PHE 10 HA PHE 10 -8.908 -1.638 -2.021
135 1HB PHE 10 2HB PHE 10 -10.546 -3.318 -0.098
136 2HB PHE 10 1HB PHE 10 -10.627 -3.428 -1.850
137 HD1 PHE 10 HD1 PHE 10 -8.535 -4.082 1.107
138 HD2 PHE 10 HD2 PHE 10 -8.978 -4.611 -3.093
139 HE1 PHE 10 HE1 PHE 10 -6.727 -5.750 1.131
140 HE2 PHE 10 HE2 PHE 10 -7.172 -6.282 -3.075
141 HZ PHE 10 HZ PHE 10 -6.044 -6.853 -0.962
Start of MODEL 8
1 1H VAL 11 1HT VAL 11 2.545 3.509 1.734
2 2H VAL 11 2HT VAL 11 3.120 4.932 2.447
3 3H VAL 11 3HT VAL 11 1.947 5.013 1.231
4 HA VAL 11 HA VAL 11 0.261 4.378 2.566
5 HB VAL 11 HB VAL 11 1.321 2.256 3.251
6 1HG1 VAL 11 1HG1 VAL 11 3.067 4.057 4.742
7 2HG1 VAL 11 2HG1 VAL 11 3.340 2.403 4.192
8 3HG1 VAL 11 3HG1 VAL 11 2.467 2.700 5.696
9 1HG2 VAL 11 1HG2 VAL 11 -0.414 2.078 4.617
10 2HG2 VAL 11 2HG2 VAL 11 -0.487 3.833 4.779
11 3HG2 VAL 11 3HG2 VAL 11 0.506 2.886 5.887
12 H GLY 12 H GLY 12 -0.722 5.732 4.023
13 1HA GLY 12 2HA GLY 12 -0.959 7.446 5.538
14 2HA GLY 12 1HA GLY 12 0.702 7.161 6.036
15 H ILE 13 H ILE 13 1.956 8.844 5.786
16 HA ILE 13 HA ILE 13 1.258 11.171 4.393
17 HB ILE 13 HB ILE 13 2.811 11.144 6.299
18 1HG1 ILE 13 2HG1 ILE 13 4.521 12.707 5.358
19 2HG1 ILE 13 1HG1 ILE 13 3.957 12.287 3.745
20 1HG2 ILE 13 1HG2 ILE 13 5.286 10.569 5.139
21 2HG2 ILE 13 2HG2 ILE 13 4.219 9.245 4.672
22 3HG2 ILE 13 3HG2 ILE 13 4.436 9.643 6.376
23 1HD1 ILE 13 1HD1 ILE 13 2.307 13.585 5.901
24 2HD1 ILE 13 2HD1 ILE 13 1.757 13.184 4.274
25 3HD1 ILE 13 3HD1 ILE 13 3.016 14.397 4.505
26 H GLY 14 H GLY 14 1.937 12.051 2.462
27 1HA GLY 14 2HA GLY 14 2.956 12.146 0.378
28 2HA GLY 14 1HA GLY 14 3.727 10.606 0.705
29 H THR 15 H THR 15 1.881 8.854 1.038
30 HA THR 15 HA THR 15 -0.325 9.099 -0.801
31 HB THR 15 HB THR 15 1.803 7.032 -1.419
32 HG1 THR 15 HG1 THR 15 1.573 9.649 -2.195
33 1HG2 THR 15 1HG2 THR 15 -0.020 6.065 -2.350
34 2HG2 THR 15 2HG2 THR 15 0.271 7.238 -3.635
35 3HG2 THR 15 3HG2 THR 15 -0.931 7.575 -2.389
36 HA PRO 16 HA PRO 16 -1.600 6.462 2.609
37 1HB PRO 16 2HB PRO 16 -4.157 6.484 1.126
38 2HB PRO 16 1HB PRO 16 -3.818 6.965 2.791
39 1HG PRO 16 2HG PRO 16 -4.337 8.785 0.901
40 2HG PRO 16 1HG PRO 16 -3.149 9.095 2.182
41 1HD PRO 16 2HD PRO 16 -2.699 8.310 -0.674
42 2HD PRO 16 1HD PRO 16 -1.813 9.481 0.326
43 H ILE 17 H ILE 17 -2.975 5.767 -0.612
44 HA ILE 17 HA ILE 17 -3.074 2.964 -0.117
45 HB ILE 17 HB ILE 17 -4.682 3.777 -1.619
46 1HG1 ILE 17 2HG1 ILE 17 -2.602 2.350 -3.281
47 2HG1 ILE 17 1HG1 ILE 17 -3.754 1.571 -2.201
48 1HG2 ILE 17 1HG2 ILE 17 -3.410 4.634 -3.938
49 2HG2 ILE 17 2HG2 ILE 17 -2.522 5.403 -2.622
50 3HG2 ILE 17 3HG2 ILE 17 -4.265 5.636 -2.766
51 1HD1 ILE 17 1HD1 ILE 17 -4.155 2.745 -4.883
52 2HD1 ILE 17 2HD1 ILE 17 -5.476 2.899 -3.725
53 3HD1 ILE 17 3HD1 ILE 17 -4.861 1.303 -4.153
54 H SER 18 H SER 18 -1.748 1.392 -0.699
55 HA SER 18 HA SER 18 0.457 1.752 -2.480
56 1HB SER 18 2HB SER 18 2.074 1.046 -0.495
57 2HB SER 18 1HB SER 18 1.724 2.740 -0.837
58 HG SER 18 HG SER 18 -0.147 2.220 0.737
59 H PHE 19 H PHE 19 2.077 -0.347 -1.695
60 HA PHE 19 HA PHE 19 0.282 -2.662 -1.441
61 1HB PHE 19 2HB PHE 19 2.417 -2.372 -3.571
62 2HB PHE 19 1HB PHE 19 1.451 -3.809 -3.278
63 HD1 PHE 19 HD1 PHE 19 -0.603 -4.098 -4.335
64 HD2 PHE 19 HD2 PHE 19 1.230 -0.258 -4.339
65 HE1 PHE 19 HE1 PHE 19 -2.267 -3.308 -5.964
66 HE2 PHE 19 HE2 PHE 19 -0.437 0.541 -5.961
67 HZ PHE 19 HZ PHE 19 -2.188 -0.985 -6.777
68 H TYR 20 H TYR 20 1.746 -4.701 -1.443
69 HA TYR 20 HA TYR 20 4.357 -4.435 -0.312
70 1HB TYR 20 2HB TYR 20 3.900 -5.465 1.857
71 2HB TYR 20 1HB TYR 20 3.063 -3.935 1.705
72 HD1 TYR 20 HD1 TYR 20 2.657 -7.584 1.863
73 HD2 TYR 20 HD2 TYR 20 0.649 -3.843 1.674
74 HE1 TYR 20 HE1 TYR 20 0.550 -8.689 2.487
75 HE2 TYR 20 HE2 TYR 20 -1.461 -4.934 2.300
76 HH TYR 20 HH TYR 20 -2.489 -6.867 2.682
77 H GLY 21 HN GLY 21 5.256 -6.567 0.241
78 1HA GLY 21 2HA GLY 21 5.746 -8.730 -0.356
79 2HA GLY 21 1HA GLY 21 4.009 -8.995 -0.402
80 2H GLY 1 H GLY 1 2.384 -1.097 1.126
81 1HA GLY 1 2HA GLY 1 2.899 0.962 3.159
82 2HA GLY 1 1HA GLY 1 4.064 -0.338 2.955
83 H GLY 2 H GLY 2 4.073 -0.609 0.211
84 1HA GLY 2 2HA GLY 2 4.468 1.910 -1.105
85 2HA GLY 2 1HA GLY 2 5.980 1.149 -0.646
86 H ALA 3 H ALA 3 6.829 0.202 -2.321
87 HA ALA 3 HA ALA 3 5.279 -0.771 -4.527
88 1HB ALA 3 1HB ALA 3 7.776 -1.832 -4.889
89 2HB ALA 3 2HB ALA 3 8.118 -0.406 -3.909
90 3HB ALA 3 3HB ALA 3 7.261 -0.239 -5.441
91 H GLY 4 H GLY 4 4.567 -2.818 -4.887
92 1HA GLY 4 2HA GLY 4 5.722 -5.153 -3.828
93 2HA GLY 4 1HA GLY 4 4.395 -4.660 -2.785
94 H HIS 5 H HIS 5 2.967 -6.288 -3.234
95 HA HIS 5 HA HIS 5 1.910 -6.302 -5.979
96 1HB HIS 5 2HB HIS 5 2.411 -8.755 -4.278
97 2HB HIS 5 1HB HIS 5 1.544 -8.753 -5.808
98 HD1 HIS 5 HD1 HIS 5 5.013 -8.065 -4.423
99 HD2 HIS 5 HD2 HIS 5 3.126 -9.021 -8.015
100 HE1 HIS 5 HE1 HIS 5 6.862 -8.455 -6.086
101 HE2 HIS 5 HE2 HIS 5 5.699 -8.920 -8.271
102 H VAL 6 H VAL 6 1.305 -7.225 -2.598
103 HA VAL 6 HA VAL 6 -1.564 -7.254 -3.061
104 HB VAL 6 HB VAL 6 -0.115 -7.527 -0.422
105 1HG1 VAL 6 1HG1 VAL 6 -2.759 -7.157 -0.853
106 2HG1 VAL 6 2HG1 VAL 6 -2.094 -8.048 0.516
107 3HG1 VAL 6 3HG1 VAL 6 -2.661 -8.917 -0.911
108 1HG2 VAL 6 1HG2 VAL 6 0.796 -9.307 -1.560
109 2HG2 VAL 6 2HG2 VAL 6 -0.621 -9.516 -2.588
110 3HG2 VAL 6 3HG2 VAL 6 -0.668 -10.039 -0.904
111 HA PRO 7 HA PRO 7 -1.896 -2.901 -2.187
112 1HB PRO 7 2HB PRO 7 -4.764 -3.463 -1.829
113 2HB PRO 7 1HB PRO 7 -3.963 -2.411 -2.999
114 1HG PRO 7 2HG PRO 7 -5.088 -4.736 -3.731
115 2HG PRO 7 1HG PRO 7 -3.611 -4.127 -4.501
116 1HD PRO 7 2HD PRO 7 -3.923 -6.248 -2.410
117 2HD PRO 7 1HD PRO 7 -2.855 -6.213 -3.830
118 H GLU 8 H GLU 8 -1.837 -1.714 -0.394
119 HA GLU 8 HA GLU 8 -2.261 -2.961 2.169
120 1HB GLU 8 2HB GLU 8 -1.257 -0.240 1.338
121 2HB GLU 8 1HB GLU 8 -1.520 -0.672 3.023
122 1HG GLU 8 2HG GLU 8 0.051 -2.562 2.723
123 2HG GLU 8 1HG GLU 8 0.385 -1.971 1.097
124 H TYR 9 H TYR 9 -4.604 -3.106 1.232
125 HA TYR 9 HA TYR 9 -6.215 -0.756 1.655
126 1HB TYR 9 2HB TYR 9 -6.829 -2.413 -0.049
127 2HB TYR 9 1HB TYR 9 -7.069 -3.623 1.201
128 HD1 TYR 9 HD1 TYR 9 -8.179 -0.108 0.536
129 HD2 TYR 9 HD2 TYR 9 -9.275 -4.050 1.707
130 HE1 TYR 9 HE1 TYR 9 -10.516 0.618 0.771
131 HE2 TYR 9 HE2 TYR 9 -11.616 -3.334 1.942
132 HH TYR 9 HH TYR 9 -12.631 -0.520 2.381
133 H PHE 10 HN PHE 10 -7.890 -0.601 3.177
134 HA PHE 10 HA PHE 10 -8.060 -2.352 5.425
135 1HB PHE 10 2HB PHE 10 -7.478 -0.477 7.074
136 2HB PHE 10 1HB PHE 10 -6.133 -1.274 6.271
137 HD1 PHE 10 HD1 PHE 10 -8.397 1.643 5.616
138 HD2 PHE 10 HD2 PHE 10 -4.435 0.087 5.600
139 HE1 PHE 10 HE1 PHE 10 -7.548 3.822 4.854
140 HE2 PHE 10 HE2 PHE 10 -3.580 2.264 4.839
141 HZ PHE 10 HZ PHE 10 -5.136 4.135 4.465
Start of MODEL 9
1 1H VAL 11 1HT VAL 11 1.768 5.374 0.285
2 2H VAL 11 2HT VAL 11 1.825 4.187 1.492
3 3H VAL 11 3HT VAL 11 3.257 4.722 0.763
4 HA VAL 11 HA VAL 11 1.531 6.653 2.131
5 HB VAL 11 HB VAL 11 2.768 6.307 4.231
6 1HG1 VAL 11 1HG1 VAL 11 1.165 4.942 4.953
7 2HG1 VAL 11 2HG1 VAL 11 1.752 3.604 3.965
8 3HG1 VAL 11 3HG1 VAL 11 0.661 4.803 3.268
9 1HG2 VAL 11 1HG2 VAL 11 3.700 3.610 3.559
10 2HG2 VAL 11 2HG2 VAL 11 4.479 4.880 4.504
11 3HG2 VAL 11 3HG2 VAL 11 4.573 4.908 2.743
12 H GLY 12 H GLY 12 3.630 7.754 3.620
13 1HA GLY 12 2HA GLY 12 5.502 9.076 3.465
14 2HA GLY 12 1HA GLY 12 5.957 8.170 2.031
15 H ILE 13 H ILE 13 6.576 9.903 0.812
16 HA ILE 13 HA ILE 13 4.830 12.171 0.451
17 HB ILE 13 HB ILE 13 6.596 12.897 -1.207
18 1HG1 ILE 13 2HG1 ILE 13 8.094 10.534 -0.043
19 2HG1 ILE 13 1HG1 ILE 13 7.472 10.619 -1.687
20 1HG2 ILE 13 1HG2 ILE 13 7.624 13.964 0.476
21 2HG2 ILE 13 2HG2 ILE 13 8.084 12.463 1.280
22 3HG2 ILE 13 3HG2 ILE 13 6.462 13.120 1.499
23 1HD1 ILE 13 1HD1 ILE 13 9.218 11.804 -2.391
24 2HD1 ILE 13 2HD1 ILE 13 9.990 11.320 -0.881
25 3HD1 ILE 13 3HD1 ILE 13 9.170 12.877 -0.992
26 H GLY 14 H GLY 14 3.321 10.136 -0.337
27 1HA GLY 14 2HA GLY 14 2.918 10.703 -3.124
28 2HA GLY 14 1HA GLY 14 3.413 9.045 -2.807
29 H THR 15 H THR 15 1.707 7.799 -2.947
30 HA THR 15 HA THR 15 -0.929 8.741 -2.271
31 HB THR 15 HB THR 15 -1.589 6.367 -2.894
32 HG1 THR 15 HG1 THR 15 0.022 5.013 -3.042
33 1HG2 THR 15 1HG2 THR 15 -0.322 8.362 -4.703
34 2HG2 THR 15 2HG2 THR 15 -1.994 7.803 -4.632
35 3HG2 THR 15 3HG2 THR 15 -0.756 6.790 -5.375
36 HA PRO 16 HA PRO 16 -0.846 7.446 1.973
37 1HB PRO 16 2HB PRO 16 -3.580 7.094 2.247
38 2HB PRO 16 1HB PRO 16 -2.742 8.638 2.421
39 1HG PRO 16 2HG PRO 16 -4.244 7.547 0.086
40 2HG PRO 16 1HG PRO 16 -4.166 9.210 0.695
41 1HD PRO 16 2HD PRO 16 -2.789 8.418 -1.481
42 2HD PRO 16 1HD PRO 16 -2.150 9.633 -0.354
43 H ILE 17 H ILE 17 -3.205 5.756 -0.101
44 HA ILE 17 HA ILE 17 -2.879 3.277 1.310
45 HB ILE 17 HB ILE 17 -4.129 3.616 -1.410
46 1HG1 ILE 17 2HG1 ILE 17 -5.446 3.937 1.297
47 2HG1 ILE 17 1HG1 ILE 17 -5.136 5.238 0.152
48 1HG2 ILE 17 1HG2 ILE 17 -3.590 1.351 -0.037
49 2HG2 ILE 17 2HG2 ILE 17 -4.920 1.520 -1.184
50 3HG2 ILE 17 3HG2 ILE 17 -5.216 1.709 0.544
51 1HD1 ILE 17 1HD1 ILE 17 -7.482 4.007 0.348
52 2HD1 ILE 17 2HD1 ILE 17 -6.712 2.942 -0.829
53 3HD1 ILE 17 3HD1 ILE 17 -6.874 4.665 -1.172
54 H SER 18 H SER 18 -1.722 1.517 0.668
55 HA SER 18 HA SER 18 -0.341 1.395 -1.837
56 1HB SER 18 2HB SER 18 1.918 1.241 -0.406
57 2HB SER 18 1HB SER 18 1.331 2.759 -1.085
58 HG SER 18 HG SER 18 0.106 2.607 1.169
59 H PHE 19 H PHE 19 1.703 -0.384 -1.093
60 HA PHE 19 HA PHE 19 0.298 -2.601 0.244
61 1HB PHE 19 2HB PHE 19 1.746 -2.841 -2.406
62 2HB PHE 19 1HB PHE 19 1.007 -4.159 -1.511
63 HD1 PHE 19 HD1 PHE 19 0.218 -0.990 -3.289
64 HD2 PHE 19 HD2 PHE 19 -1.204 -4.750 -1.894
65 HE1 PHE 19 HE1 PHE 19 -1.877 -0.654 -4.532
66 HE2 PHE 19 HE2 PHE 19 -3.302 -4.419 -3.134
67 HZ PHE 19 HZ PHE 19 -3.641 -2.370 -4.456
68 H TYR 20 H TYR 20 1.930 -4.534 0.265
69 HA TYR 20 HA TYR 20 4.701 -3.901 0.459
70 1HB TYR 20 2HB TYR 20 4.979 -4.433 2.874
71 2HB TYR 20 1HB TYR 20 4.156 -2.915 2.579
72 HD1 TYR 20 HD1 TYR 20 2.438 -2.445 4.010
73 HD2 TYR 20 HD2 TYR 20 3.200 -6.517 3.068
74 HE1 TYR 20 HE1 TYR 20 0.633 -3.127 5.533
75 HE2 TYR 20 HE2 TYR 20 1.394 -7.212 4.582
76 HH TYR 20 HH TYR 20 -0.957 -5.338 5.622
77 H GLY 21 HN GLY 21 5.966 -5.788 1.196
78 1HA GLY 21 2HA GLY 21 6.488 -8.018 1.034
79 2HA GLY 21 1HA GLY 21 4.836 -8.341 1.542
80 2H GLY 1 H GLY 1 2.708 -0.366 1.661
81 1HA GLY 1 2HA GLY 1 3.482 2.153 2.966
82 2HA GLY 1 1HA GLY 1 4.672 0.868 2.829
83 H GLY 2 H GLY 2 4.082 -0.077 0.283
84 1HA GLY 2 2HA GLY 2 4.035 2.061 -1.632
85 2HA GLY 2 1HA GLY 2 5.649 1.423 -1.374
86 H ALA 3 H ALA 3 6.128 0.141 -2.977
87 HA ALA 3 HA ALA 3 4.152 -1.358 -4.424
88 1HB ALA 3 1HB ALA 3 5.754 -1.643 -5.982
89 2HB ALA 3 2HB ALA 3 6.967 -2.115 -4.792
90 3HB ALA 3 3HB ALA 3 6.621 -0.408 -5.068
91 H GLY 4 H GLY 4 3.566 -3.455 -4.115
92 1HA GLY 4 2HA GLY 4 5.170 -5.433 -2.926
93 2HA GLY 4 1HA GLY 4 4.122 -4.746 -1.693
94 H HIS 5 H HIS 5 2.816 -6.507 -1.363
95 HA HIS 5 HA HIS 5 1.068 -7.197 -3.628
96 1HB HIS 5 2HB HIS 5 2.255 -9.160 -1.654
97 2HB HIS 5 1HB HIS 5 1.009 -9.551 -2.832
98 HD1 HIS 5 HD1 HIS 5 4.629 -8.399 -2.704
99 HD2 HIS 5 HD2 HIS 5 1.956 -10.302 -5.273
100 HE1 HIS 5 HE1 HIS 5 5.987 -9.110 -4.700
101 HE2 HIS 5 HE2 HIS 5 4.380 -10.368 -6.176
102 H VAL 6 H VAL 6 1.479 -7.293 -0.095
103 HA VAL 6 HA VAL 6 -1.387 -7.561 0.287
104 HB VAL 6 HB VAL 6 0.734 -7.100 2.392
105 1HG1 VAL 6 1HG1 VAL 6 -1.246 -8.583 3.535
106 2HG1 VAL 6 2HG1 VAL 6 -2.161 -7.546 2.442
107 3HG1 VAL 6 3HG1 VAL 6 -1.100 -6.829 3.655
108 1HG2 VAL 6 1HG2 VAL 6 -0.315 -9.807 2.147
109 2HG2 VAL 6 2HG2 VAL 6 1.348 -9.247 2.325
110 3HG2 VAL 6 3HG2 VAL 6 0.597 -9.285 0.730
111 HA PRO 7 HA PRO 7 -1.968 -3.156 0.152
112 1HB PRO 7 2HB PRO 7 -4.594 -3.736 1.344
113 2HB PRO 7 1HB PRO 7 -4.205 -2.999 -0.212
114 1HG PRO 7 2HG PRO 7 -5.209 -5.485 -0.036
115 2HG PRO 7 1HG PRO 7 -4.031 -5.034 -1.283
116 1HD PRO 7 2HD PRO 7 -3.604 -6.531 1.275
117 2HD PRO 7 1HD PRO 7 -2.914 -6.831 -0.334
118 H GLU 8 H GLU 8 -1.721 -1.509 1.516
119 HA GLU 8 HA GLU 8 -1.391 -2.056 4.337
120 1HB GLU 8 2HB GLU 8 -0.945 0.442 2.687
121 2HB GLU 8 1HB GLU 8 -0.651 0.349 4.419
122 1HG GLU 8 2HG GLU 8 0.953 -1.498 3.970
123 2HG GLU 8 1HG GLU 8 0.745 -1.189 2.249
124 H TYR 9 H TYR 9 -3.872 -2.550 3.974
125 HA TYR 9 HA TYR 9 -5.264 -0.531 5.461
126 1HB TYR 9 2HB TYR 9 -5.560 0.347 3.190
127 2HB TYR 9 1HB TYR 9 -6.228 -1.190 2.664
128 HD1 TYR 9 HD1 TYR 9 -6.824 1.262 5.434
129 HD2 TYR 9 HD2 TYR 9 -8.516 -1.204 2.407
130 HE1 TYR 9 HE1 TYR 9 -9.070 2.036 6.067
131 HE2 TYR 9 HE2 TYR 9 -10.767 -0.434 3.030
132 HH TYR 9 HH TYR 9 -11.632 0.735 5.674
133 H PHE 10 HN PHE 10 -7.344 -1.260 6.169
134 HA PHE 10 HA PHE 10 -8.212 -3.943 5.665
135 1HB PHE 10 2HB PHE 10 -6.312 -4.261 7.292
136 2HB PHE 10 1HB PHE 10 -7.202 -3.275 8.446
137 HD1 PHE 10 HD1 PHE 10 -7.973 -4.597 10.153
138 HD2 PHE 10 HD2 PHE 10 -8.223 -6.044 6.158
139 HE1 PHE 10 HE1 PHE 10 -9.148 -6.603 10.957
140 HE2 PHE 10 HE2 PHE 10 -9.401 -8.052 6.955
141 HZ PHE 10 HZ PHE 10 -9.865 -8.333 9.357
Start of MODEL 10
1 1H VAL 11 1HT VAL 11 4.228 3.160 1.096
2 2H VAL 11 2HT VAL 11 3.000 4.315 0.964
3 3H VAL 11 3HT VAL 11 2.757 2.931 1.906
4 HA VAL 11 HA VAL 11 3.182 4.535 3.466
5 HB VAL 11 HB VAL 11 5.505 4.134 4.295
6 1HG1 VAL 11 1HG1 VAL 11 5.084 1.443 4.029
7 2HG1 VAL 11 2HG1 VAL 11 3.479 2.108 3.723
8 3HG1 VAL 11 3HG1 VAL 11 4.317 2.483 5.229
9 1HG2 VAL 11 1HG2 VAL 11 5.923 2.162 2.098
10 2HG2 VAL 11 2HG2 VAL 11 7.106 2.975 3.123
11 3HG2 VAL 11 3HG2 VAL 11 6.322 3.856 1.811
12 H GLY 12 H GLY 12 3.763 6.592 3.944
13 1HA GLY 12 2HA GLY 12 4.751 8.664 3.719
14 2HA GLY 12 1HA GLY 12 5.850 7.968 2.539
15 H ILE 13 H ILE 13 5.747 9.229 0.820
16 HA ILE 13 HA ILE 13 3.492 10.716 0.012
17 HB ILE 13 HB ILE 13 5.800 11.377 -0.517
18 1HG1 ILE 13 2HG1 ILE 13 4.139 10.924 -3.007
19 2HG1 ILE 13 1HG1 ILE 13 3.908 12.243 -1.864
20 1HG2 ILE 13 1HG2 ILE 13 6.330 8.867 -1.144
21 2HG2 ILE 13 2HG2 ILE 13 7.246 10.209 -1.832
22 3HG2 ILE 13 3HG2 ILE 13 5.959 9.449 -2.768
23 1HD1 ILE 13 1HD1 ILE 13 5.106 13.054 -3.768
24 2HD1 ILE 13 2HD1 ILE 13 6.303 11.767 -3.618
25 3HD1 ILE 13 3HD1 ILE 13 6.200 13.023 -2.384
26 H GLY 14 H GLY 14 2.134 10.480 -1.784
27 1HA GLY 14 2HA GLY 14 1.072 9.380 -3.536
28 2HA GLY 14 1HA GLY 14 2.169 8.028 -3.330
29 H THR 15 H THR 15 1.829 7.187 -0.891
30 HA THR 15 HA THR 15 -0.939 7.019 -0.110
31 HB THR 15 HB THR 15 0.452 4.517 -1.116
32 HG1 THR 15 HG1 THR 15 -1.050 6.337 -2.403
33 1HG2 THR 15 1HG2 THR 15 -1.048 3.313 0.011
34 2HG2 THR 15 2HG2 THR 15 -2.379 4.270 -0.639
35 3HG2 THR 15 3HG2 THR 15 -1.549 4.794 0.826
36 HA PRO 16 HA PRO 16 1.532 6.709 3.615
37 1HB PRO 16 2HB PRO 16 -0.584 6.571 5.343
38 2HB PRO 16 1HB PRO 16 0.024 8.080 4.655
39 1HG PRO 16 2HG PRO 16 -2.317 6.420 3.814
40 2HG PRO 16 1HG PRO 16 -2.177 8.184 3.929
41 1HD PRO 16 2HD PRO 16 -2.011 6.874 1.573
42 2HD PRO 16 1HD PRO 16 -1.088 8.355 1.900
43 H ILE 17 H ILE 17 -1.195 4.595 2.914
44 HA ILE 17 HA ILE 17 -0.626 2.581 4.800
45 HB ILE 17 HB ILE 17 -1.980 2.018 2.173
46 1HG1 ILE 17 2HG1 ILE 17 -3.236 3.396 4.562
47 2HG1 ILE 17 1HG1 ILE 17 -2.839 4.187 3.040
48 1HG2 ILE 17 1HG2 ILE 17 -3.375 0.565 3.591
49 2HG2 ILE 17 2HG2 ILE 17 -2.429 1.052 4.998
50 3HG2 ILE 17 3HG2 ILE 17 -1.664 0.148 3.691
51 1HD1 ILE 17 1HD1 ILE 17 -5.208 3.647 3.189
52 2HD1 ILE 17 2HD1 ILE 17 -4.811 1.940 3.388
53 3HD1 ILE 17 3HD1 ILE 17 -4.430 2.763 1.876
54 H SER 18 H SER 18 0.061 0.352 4.275
55 HA SER 18 HA SER 18 2.537 0.380 2.825
56 1HB SER 18 2HB SER 18 2.338 -2.155 3.602
57 2HB SER 18 1HB SER 18 2.763 -0.870 4.736
58 HG SER 18 HG SER 18 1.120 -1.913 5.714
59 H PHE 19 H PHE 19 2.683 -2.210 1.818
60 HA PHE 19 HA PHE 19 0.592 -2.297 -0.258
61 1HB PHE 19 2HB PHE 19 3.547 -2.628 -0.820
62 2HB PHE 19 1HB PHE 19 2.242 -2.631 -1.995
63 HD1 PHE 19 HD1 PHE 19 4.086 -0.484 0.397
64 HD2 PHE 19 HD2 PHE 19 1.517 -0.644 -2.991
65 HE1 PHE 19 HE1 PHE 19 4.410 1.927 0.042
66 HE2 PHE 19 HE2 PHE 19 1.836 1.768 -3.351
67 HZ PHE 19 HZ PHE 19 3.286 3.057 -1.835
68 H TYR 20 H TYR 20 1.127 -4.297 -1.691
69 HA TYR 20 HA TYR 20 2.237 -6.573 -0.372
70 1HB TYR 20 2HB TYR 20 0.135 -7.941 -0.443
71 2HB TYR 20 1HB TYR 20 0.160 -6.707 0.801
72 HD1 TYR 20 HD1 TYR 20 -0.784 -6.588 -2.834
73 HD2 TYR 20 HD2 TYR 20 -1.995 -6.024 1.201
74 HE1 TYR 20 HE1 TYR 20 -2.968 -5.773 -3.609
75 HE2 TYR 20 HE2 TYR 20 -4.181 -5.200 0.436
76 HH TYR 20 HH TYR 20 -5.107 -4.120 -1.665
77 H GLY 21 HN GLY 21 2.018 -8.530 -1.754
78 1HA GLY 21 2HA GLY 21 2.320 -9.551 -3.785
79 2HA GLY 21 1HA GLY 21 1.086 -8.458 -4.393
80 2H GLY 1 H GLY 1 0.780 -3.914 3.000
81 1HA GLY 1 2HA GLY 1 0.135 -4.587 5.721
82 2HA GLY 1 1HA GLY 1 0.617 -5.979 4.761
83 H GLY 2 H GLY 2 2.512 -4.654 3.116
84 1HA GLY 2 2HA GLY 2 4.457 -3.301 4.716
85 2HA GLY 2 1HA GLY 2 4.852 -4.998 4.510
86 H ALA 3 H ALA 3 6.373 -5.134 3.065
87 HA ALA 3 HA ALA 3 6.638 -3.290 0.881
88 1HB ALA 3 1HB ALA 3 8.194 -5.703 0.567
89 2HB ALA 3 2HB ALA 3 8.341 -5.064 2.205
90 3HB ALA 3 3HB ALA 3 8.737 -4.044 0.821
91 H GLY 4 H GLY 4 5.958 -3.555 -1.194
92 1HA GLY 4 2HA GLY 4 5.405 -6.019 -2.426
93 2HA GLY 4 1HA GLY 4 3.904 -5.364 -1.783
94 H HIS 5 H HIS 5 2.898 -4.872 -3.689
95 HA HIS 5 HA HIS 5 4.151 -2.703 -5.229
96 1HB HIS 5 2HB HIS 5 2.718 -5.095 -6.404
97 2HB HIS 5 1HB HIS 5 3.208 -3.674 -7.318
98 HD1 HIS 5 HD1 HIS 5 4.739 -6.530 -5.335
99 HD2 HIS 5 HD2 HIS 5 5.758 -3.765 -8.282
100 HE1 HIS 5 HE1 HIS 5 7.065 -7.144 -6.076
101 HE2 HIS 5 HE2 HIS 5 7.704 -5.389 -7.765
102 H VAL 6 H VAL 6 1.130 -4.431 -4.499
103 HA VAL 6 HA VAL 6 -0.407 -2.085 -5.314
104 HB VAL 6 HB VAL 6 -1.435 -4.723 -4.254
105 1HG1 VAL 6 1HG1 VAL 6 -3.074 -3.099 -6.073
106 2HG1 VAL 6 2HG1 VAL 6 -2.790 -2.389 -4.484
107 3HG1 VAL 6 3HG1 VAL 6 -3.528 -3.985 -4.617
108 1HG2 VAL 6 1HG2 VAL 6 -1.293 -5.658 -6.290
109 2HG2 VAL 6 2HG2 VAL 6 -0.051 -4.439 -6.575
110 3HG2 VAL 6 3HG2 VAL 6 -1.705 -4.157 -7.120
111 HA PRO 7 HA PRO 7 -0.413 -0.521 -1.143
112 1HB PRO 7 2HB PRO 7 -2.765 1.020 -2.048
113 2HB PRO 7 1HB PRO 7 -1.223 1.595 -1.408
114 1HG PRO 7 2HG PRO 7 -1.840 1.849 -4.002
115 2HG PRO 7 1HG PRO 7 -0.183 1.508 -3.470
116 1HD PRO 7 2HD PRO 7 -2.227 -0.352 -4.621
117 2HD PRO 7 1HD PRO 7 -0.478 -0.272 -4.920
118 H GLU 8 H GLU 8 -1.475 -0.972 0.718
119 HA GLU 8 HA GLU 8 -3.687 -2.816 0.584
120 1HB GLU 8 2HB GLU 8 -2.227 -1.639 2.956
121 2HB GLU 8 1HB GLU 8 -3.444 -2.907 3.052
122 1HG GLU 8 2HG GLU 8 -1.992 -4.282 1.551
123 2HG GLU 8 1HG GLU 8 -0.750 -3.049 1.737
124 H TYR 9 H TYR 9 -4.729 -0.781 -0.528
125 HA TYR 9 HA TYR 9 -5.948 1.075 1.299
126 1HB TYR 9 2HB TYR 9 -7.275 1.729 -0.805
127 2HB TYR 9 1HB TYR 9 -5.545 2.030 -0.792
128 HD1 TYR 9 HD1 TYR 9 -4.566 1.699 -2.837
129 HD2 TYR 9 HD2 TYR 9 -7.729 -0.899 -1.678
130 HE1 TYR 9 HE1 TYR 9 -4.330 0.474 -4.954
131 HE2 TYR 9 HE2 TYR 9 -7.497 -2.132 -3.790
132 HH TYR 9 HH TYR 9 -5.824 -2.536 -5.510
133 H PHE 10 HN PHE 10 -8.173 1.297 1.706
134 HA PHE 10 HA PHE 10 -10.040 -0.751 0.983
135 1HB PHE 10 2HB PHE 10 -8.737 -1.820 2.850
136 2HB PHE 10 1HB PHE 10 -9.237 -0.498 3.897
137 HD1 PHE 10 HD1 PHE 10 -10.752 -1.251 5.442
138 HD2 PHE 10 HD2 PHE 10 -11.059 -2.625 1.425
139 HE1 PHE 10 HE1 PHE 10 -12.795 -2.490 6.026
140 HE2 PHE 10 HE2 PHE 10 -13.105 -3.865 2.002
141 HZ PHE 10 HZ PHE 10 -13.976 -3.797 4.305
Start of MODEL 11
1 1H VAL 11 1HT VAL 11 1.975 6.610 -3.175
2 2H VAL 11 2HT VAL 11 3.558 6.281 -3.674
3 3H VAL 11 3HT VAL 11 3.284 7.053 -2.192
4 HA VAL 11 HA VAL 11 2.518 5.171 -1.168
5 HB VAL 11 HB VAL 11 1.972 3.077 -2.410
6 1HG1 VAL 11 1HG1 VAL 11 0.393 5.558 -3.061
7 2HG1 VAL 11 2HG1 VAL 11 0.162 4.458 -1.702
8 3HG1 VAL 11 3HG1 VAL 11 -0.192 3.918 -3.344
9 1HG2 VAL 11 1HG2 VAL 11 2.542 4.836 -4.767
10 2HG2 VAL 11 2HG2 VAL 11 1.388 3.508 -4.897
11 3HG2 VAL 11 3HG2 VAL 11 3.064 3.180 -4.458
12 H GLY 12 H GLY 12 4.016 3.957 -0.186
13 1HA GLY 12 2HA GLY 12 5.959 2.758 0.154
14 2HA GLY 12 1HA GLY 12 6.163 2.662 -1.588
15 H ILE 13 H ILE 13 6.833 4.735 -2.643
16 HA ILE 13 HA ILE 13 9.159 5.753 -1.291
17 HB ILE 13 HB ILE 13 7.976 6.561 -3.956
18 1HG1 ILE 13 2HG1 ILE 13 8.611 4.196 -3.920
19 2HG1 ILE 13 1HG1 ILE 13 9.712 5.117 -4.937
20 1HG2 ILE 13 1HG2 ILE 13 9.734 8.022 -2.565
21 2HG2 ILE 13 2HG2 ILE 13 9.749 7.920 -4.325
22 3HG2 ILE 13 3HG2 ILE 13 10.852 6.924 -3.375
23 1HD1 ILE 13 1HD1 ILE 13 11.330 5.154 -3.065
24 2HD1 ILE 13 2HD1 ILE 13 10.961 3.532 -3.651
25 3HD1 ILE 13 3HD1 ILE 13 10.238 4.114 -2.151
26 H GLY 14 H GLY 14 9.101 7.376 0.089
27 1HA GLY 14 2HA GLY 14 8.553 9.344 1.124
28 2HA GLY 14 1HA GLY 14 7.944 9.880 -0.430
29 H THR 15 H THR 15 6.557 7.039 0.936
30 HA THR 15 HA THR 15 4.463 8.369 2.381
31 HB THR 15 HB THR 15 2.813 7.015 0.677
32 HG1 THR 15 HG1 THR 15 5.053 7.933 -0.776
33 1HG2 THR 15 1HG2 THR 15 1.964 9.054 1.135
34 2HG2 THR 15 2HG2 THR 15 2.695 9.494 -0.409
35 3HG2 THR 15 3HG2 THR 15 3.545 9.835 1.098
36 HA PRO 16 HA PRO 16 4.919 4.358 4.305
37 1HB PRO 16 2HB PRO 16 2.493 5.211 5.773
38 2HB PRO 16 1HB PRO 16 4.067 4.711 6.399
39 1HG PRO 16 2HG PRO 16 3.307 7.272 6.463
40 2HG PRO 16 1HG PRO 16 4.990 6.818 6.136
41 1HD PRO 16 2HD PRO 16 2.860 7.706 4.230
42 2HD PRO 16 1HD PRO 16 4.589 8.111 4.257
43 H ILE 17 H ILE 17 1.703 5.588 3.438
44 HA ILE 17 HA ILE 17 0.481 3.043 3.268
45 HB ILE 17 HB ILE 17 -1.329 4.198 2.025
46 1HG1 ILE 17 2HG1 ILE 17 0.359 6.683 2.397
47 2HG1 ILE 17 1HG1 ILE 17 0.155 5.843 0.863
48 1HG2 ILE 17 1HG2 ILE 17 -0.316 5.353 4.604
49 2HG2 ILE 17 2HG2 ILE 17 -1.587 4.156 4.354
50 3HG2 ILE 17 3HG2 ILE 17 -1.860 5.839 3.904
51 1HD1 ILE 17 1HD1 ILE 17 -1.391 7.518 0.675
52 2HD1 ILE 17 2HD1 ILE 17 -1.786 7.497 2.394
53 3HD1 ILE 17 3HD1 ILE 17 -2.384 6.218 1.336
54 H SER 18 H SER 18 0.178 1.688 1.582
55 HA SER 18 HA SER 18 0.903 2.396 -1.106
56 1HB SER 18 2HB SER 18 2.554 0.375 -1.137
57 2HB SER 18 1HB SER 18 3.114 1.931 -0.528
58 HG SER 18 HG SER 18 3.073 1.179 1.503
59 H PHE 19 H PHE 19 1.152 -0.117 -2.196
60 HA PHE 19 HA PHE 19 -1.177 -1.645 -1.270
61 1HB PHE 19 2HB PHE 19 -0.785 -0.679 -4.115
62 2HB PHE 19 1HB PHE 19 -2.011 -1.827 -3.602
63 HD1 PHE 19 HD1 PHE 19 -0.892 1.687 -3.265
64 HD2 PHE 19 HD2 PHE 19 -4.063 -1.100 -2.738
65 HE1 PHE 19 HE1 PHE 19 -2.446 3.543 -2.832
66 HE2 PHE 19 HE2 PHE 19 -5.622 0.751 -2.304
67 HZ PHE 19 HZ PHE 19 -4.815 3.076 -2.351
68 H TYR 20 H TYR 20 -1.398 -3.648 -2.711
69 HA TYR 20 HA TYR 20 0.955 -4.700 -3.935
70 1HB TYR 20 2HB TYR 20 1.360 -6.555 -2.405
71 2HB TYR 20 1HB TYR 20 1.613 -5.026 -1.593
72 HD1 TYR 20 HD1 TYR 20 -0.533 -7.995 -1.821
73 HD2 TYR 20 HD2 TYR 20 0.163 -4.334 0.222
74 HE1 TYR 20 HE1 TYR 20 -2.058 -8.711 -0.030
75 HE2 TYR 20 HE2 TYR 20 -1.356 -5.038 2.020
76 HH TYR 20 HH TYR 20 -2.794 -6.581 2.715
77 H GLY 21 HN GLY 21 0.602 -6.949 -4.627
78 1HA GLY 21 2HA GLY 21 -0.670 -8.504 -5.742
79 2HA GLY 21 1HA GLY 21 -1.869 -8.261 -4.480
80 2H GLY 1 H GLY 1 2.528 -2.047 -0.751
81 1HA GLY 1 2HA GLY 1 5.145 -1.812 0.479
82 2HA GLY 1 1HA GLY 1 4.981 -3.127 -0.674
83 H GLY 2 H GLY 2 3.251 -1.840 -2.502
84 1HA GLY 2 2HA GLY 2 4.399 0.652 -3.353
85 2HA GLY 2 1HA GLY 2 4.968 -0.711 -4.297
86 H ALA 3 H ALA 3 3.937 -0.797 -6.115
87 HA ALA 3 HA ALA 3 1.233 0.186 -6.400
88 1HB ALA 3 1HB ALA 3 2.012 0.611 -8.446
89 2HB ALA 3 2HB ALA 3 1.971 -1.123 -8.762
90 3HB ALA 3 3HB ALA 3 3.448 -0.372 -8.159
91 H GLY 4 H GLY 4 -0.592 -1.056 -6.566
92 1HA GLY 4 2HA GLY 4 -0.666 -3.769 -7.269
93 2HA GLY 4 1HA GLY 4 -0.587 -3.659 -5.517
94 H HIS 5 H HIS 5 -2.621 -4.348 -5.017
95 HA HIS 5 HA HIS 5 -4.803 -2.587 -5.916
96 1HB HIS 5 2HB HIS 5 -4.948 -5.595 -5.619
97 2HB HIS 5 1HB HIS 5 -6.331 -4.548 -5.915
98 HD1 HIS 5 HD1 HIS 5 -3.098 -5.642 -7.585
99 HD2 HIS 5 HD2 HIS 5 -6.819 -4.032 -8.548
100 HE1 HIS 5 HE1 HIS 5 -3.182 -5.568 -10.100
101 HE2 HIS 5 HE2 HIS 5 -5.390 -4.491 -10.655
102 H VAL 6 H VAL 6 -3.757 -4.944 -3.470
103 HA VAL 6 HA VAL 6 -5.723 -3.932 -1.581
104 HB VAL 6 HB VAL 6 -3.545 -5.967 -1.076
105 1HG1 VAL 6 1HG1 VAL 6 -5.208 -4.697 0.698
106 2HG1 VAL 6 2HG1 VAL 6 -4.412 -6.248 0.965
107 3HG1 VAL 6 3HG1 VAL 6 -6.070 -6.200 0.366
108 1HG2 VAL 6 1HG2 VAL 6 -6.199 -7.066 -1.409
109 2HG2 VAL 6 2HG2 VAL 6 -4.682 -7.534 -2.176
110 3HG2 VAL 6 3HG2 VAL 6 -5.655 -6.236 -2.867
111 HA PRO 7 HA PRO 7 -2.847 -0.866 -0.098
112 1HB PRO 7 2HB PRO 7 -4.280 -0.094 2.089
113 2HB PRO 7 1HB PRO 7 -4.650 0.432 0.443
114 1HG PRO 7 2HG PRO 7 -5.918 -1.732 2.074
115 2HG PRO 7 1HG PRO 7 -6.683 -0.532 1.015
116 1HD PRO 7 2HD PRO 7 -6.264 -3.091 0.246
117 2HD PRO 7 1HD PRO 7 -6.212 -1.733 -0.896
118 H GLU 8 H GLU 8 -1.153 -0.890 1.241
119 HA GLU 8 HA GLU 8 -0.805 -3.112 3.054
120 1HB GLU 8 2HB GLU 8 1.022 -0.830 2.279
121 2HB GLU 8 1HB GLU 8 1.473 -2.101 3.407
122 1HG GLU 8 2HG GLU 8 1.073 -3.759 1.610
123 2HG GLU 8 1HG GLU 8 0.795 -2.420 0.498
124 H TYR 9 H TYR 9 -2.796 -1.980 4.123
125 HA TYR 9 HA TYR 9 -2.137 0.168 5.924
126 1HB TYR 9 2HB TYR 9 -4.400 -0.058 4.993
127 2HB TYR 9 1HB TYR 9 -4.605 -1.581 5.844
128 HD1 TYR 9 HD1 TYR 9 -5.932 -1.442 7.723
129 HD2 TYR 9 HD2 TYR 9 -3.510 1.899 6.688
130 HE1 TYR 9 HE1 TYR 9 -6.792 -0.220 9.676
131 HE2 TYR 9 HE2 TYR 9 -4.361 3.129 8.639
132 HH TYR 9 HH TYR 9 -5.479 2.109 11.099
133 H PHE 10 HN PHE 10 -2.244 0.042 8.183
134 HA PHE 10 HA PHE 10 -2.195 -2.457 9.565
135 1HB PHE 10 2HB PHE 10 0.149 -2.010 10.508
136 2HB PHE 10 1HB PHE 10 0.057 -2.665 8.880
137 HD1 PHE 10 HD1 PHE 10 0.063 0.726 10.480
138 HD2 PHE 10 HD2 PHE 10 1.543 -1.797 7.389
139 HE1 PHE 10 HE1 PHE 10 1.461 2.571 9.648
140 HE2 PHE 10 HE2 PHE 10 2.943 0.043 6.552
141 HZ PHE 10 HZ PHE 10 2.904 2.231 7.681
Start of MODEL 12
1 1H VAL 11 1HT VAL 11 0.180 5.997 1.522
2 2H VAL 11 2HT VAL 11 0.005 4.816 2.723
3 3H VAL 11 3HT VAL 11 1.067 4.556 1.432
4 HA VAL 11 HA VAL 11 2.178 6.717 2.281
5 HB VAL 11 HB VAL 11 0.941 5.605 4.811
6 1HG1 VAL 11 1HG1 VAL 11 2.683 8.034 4.407
7 2HG1 VAL 11 2HG1 VAL 11 3.226 6.494 5.073
8 3HG1 VAL 11 3HG1 VAL 11 2.025 7.454 5.937
9 1HG2 VAL 11 1HG2 VAL 11 -0.362 7.609 4.957
10 2HG2 VAL 11 2HG2 VAL 11 -0.655 6.877 3.379
11 3HG2 VAL 11 3HG2 VAL 11 0.410 8.275 3.518
12 H GLY 12 H GLY 12 4.271 6.193 2.551
13 1HA GLY 12 2HA GLY 12 5.340 4.180 4.117
14 2HA GLY 12 1HA GLY 12 5.047 3.465 2.537
15 H ILE 13 H ILE 13 7.008 3.280 1.663
16 HA ILE 13 HA ILE 13 9.042 5.274 1.998
17 HB ILE 13 HB ILE 13 10.360 3.891 0.386
18 1HG1 ILE 13 2HG1 ILE 13 8.263 2.923 -0.745
19 2HG1 ILE 13 1HG1 ILE 13 9.606 1.826 -0.459
20 1HG2 ILE 13 1HG2 ILE 13 10.899 2.232 1.965
21 2HG2 ILE 13 2HG2 ILE 13 9.269 2.232 2.638
22 3HG2 ILE 13 3HG2 ILE 13 10.327 3.620 2.890
23 1HD1 ILE 13 1HD1 ILE 13 7.509 0.745 0.039
24 2HD1 ILE 13 2HD1 ILE 13 7.083 2.027 1.173
25 3HD1 ILE 13 3HD1 ILE 13 8.440 0.956 1.523
26 H GLY 14 H GLY 14 7.221 6.796 1.074
27 1HA GLY 14 2HA GLY 14 7.281 8.494 -0.582
28 2HA GLY 14 1HA GLY 14 8.028 7.354 -1.692
29 H THR 15 H THR 15 6.016 5.304 -0.879
30 HA THR 15 HA THR 15 4.161 5.756 -2.953
31 HB THR 15 HB THR 15 2.983 3.736 -1.867
32 HG1 THR 15 HG1 THR 15 4.239 2.645 -0.324
33 1HG2 THR 15 1HG2 THR 15 5.877 3.343 -2.615
34 2HG2 THR 15 2HG2 THR 15 4.614 3.703 -3.792
35 3HG2 THR 15 3HG2 THR 15 4.538 2.218 -2.843
36 HA PRO 16 HA PRO 16 1.330 8.359 -0.675
37 1HB PRO 16 2HB PRO 16 -0.428 7.981 -2.999
38 2HB PRO 16 1HB PRO 16 0.296 9.464 -2.373
39 1HG PRO 16 2HG PRO 16 1.112 8.345 -4.680
40 2HG PRO 16 1HG PRO 16 2.229 9.197 -3.599
41 1HD PRO 16 2HD PRO 16 1.803 6.252 -3.948
42 2HD PRO 16 1HD PRO 16 3.320 7.155 -3.742
43 H ILE 17 H ILE 17 -0.060 5.711 -2.606
44 HA ILE 17 HA ILE 17 -2.260 5.334 -0.820
45 HB ILE 17 HB ILE 17 -2.779 3.349 -2.192
46 1HG1 ILE 17 2HG1 ILE 17 -0.297 4.099 -3.755
47 2HG1 ILE 17 1HG1 ILE 17 -0.433 2.700 -2.695
48 1HG2 ILE 17 1HG2 ILE 17 -2.398 6.062 -3.280
49 2HG2 ILE 17 2HG2 ILE 17 -3.858 5.081 -3.156
50 3HG2 ILE 17 3HG2 ILE 17 -2.709 4.790 -4.461
51 1HD1 ILE 17 1HD1 ILE 17 -2.587 2.458 -4.417
52 2HD1 ILE 17 2HD1 ILE 17 -1.071 1.558 -4.482
53 3HD1 ILE 17 3HD1 ILE 17 -1.266 3.029 -5.437
54 H SER 18 H SER 18 -2.704 3.209 0.246
55 HA SER 18 HA SER 18 -0.330 2.412 1.703
56 1HB SER 18 2HB SER 18 -2.230 0.964 2.876
57 2HB SER 18 1HB SER 18 -1.950 2.658 3.264
58 HG SER 18 HG SER 18 -4.203 1.905 2.707
59 H PHE 19 H PHE 19 0.153 0.236 2.171
60 HA PHE 19 HA PHE 19 -0.736 -1.776 0.229
61 1HB PHE 19 2HB PHE 19 2.166 -1.104 0.777
62 2HB PHE 19 1HB PHE 19 1.615 -2.507 -0.123
63 HD1 PHE 19 HD1 PHE 19 1.759 1.189 -0.160
64 HD2 PHE 19 HD2 PHE 19 1.142 -2.368 -2.407
65 HE1 PHE 19 HE1 PHE 19 1.866 2.491 -2.243
66 HE2 PHE 19 HE2 PHE 19 1.244 -1.073 -4.494
67 HZ PHE 19 HZ PHE 19 1.608 1.360 -4.414
68 H TYR 20 H TYR 20 0.421 -3.899 0.800
69 HA TYR 20 HA TYR 20 1.161 -4.334 3.521
70 1HB TYR 20 2HB TYR 20 -0.650 -5.861 4.123
71 2HB TYR 20 1HB TYR 20 -1.265 -4.247 3.839
72 HD1 TYR 20 HD1 TYR 20 -2.843 -3.823 2.088
73 HD2 TYR 20 HD2 TYR 20 -1.082 -7.671 2.478
74 HE1 TYR 20 HE1 TYR 20 -4.515 -4.735 0.538
75 HE2 TYR 20 HE2 TYR 20 -2.744 -8.595 0.919
76 HH TYR 20 HH TYR 20 -4.940 -6.548 -0.851
77 H GLY 21 HN GLY 21 1.583 -6.648 3.904
78 1HA GLY 21 2HA GLY 21 2.662 -8.585 3.308
79 2HA GLY 21 1HA GLY 21 1.605 -8.600 1.904
80 2H GLY 1 H GLY 1 -1.463 -1.120 3.904
81 1HA GLY 1 2HA GLY 1 -2.842 0.405 5.999
82 2HA GLY 1 1HA GLY 1 -1.815 -0.933 6.490
83 H GLY 2 H GLY 2 0.290 -0.666 4.728
84 1HA GLY 2 2HA GLY 2 1.286 2.038 4.750
85 2HA GLY 2 1HA GLY 2 2.029 1.012 5.963
86 H ALA 3 H ALA 3 3.951 0.489 5.264
87 HA ALA 3 HA ALA 3 4.626 0.237 2.504
88 1HB ALA 3 1HB ALA 3 6.033 0.461 4.931
89 2HB ALA 3 2HB ALA 3 6.694 0.447 3.296
90 3HB ALA 3 3HB ALA 3 6.540 -1.061 4.198
91 H GLY 4 H GLY 4 4.631 -1.543 1.240
92 1HA GLY 4 2HA GLY 4 4.864 -4.196 2.158
93 2HA GLY 4 1HA GLY 4 3.163 -3.815 1.921
94 H HIS 5 H HIS 5 2.760 -5.080 0.145
95 HA HIS 5 HA HIS 5 4.171 -4.260 -2.303
96 1HB HIS 5 2HB HIS 5 3.444 -7.098 -1.550
97 2HB HIS 5 1HB HIS 5 4.043 -6.602 -3.128
98 HD1 HIS 5 HD1 HIS 5 5.159 -6.765 0.497
99 HD2 HIS 5 HD2 HIS 5 6.764 -6.515 -3.341
100 HE1 HIS 5 HE1 HIS 5 7.651 -6.972 0.783
101 HE2 HIS 5 HE2 HIS 5 8.605 -6.710 -1.533
102 H VAL 6 H VAL 6 1.286 -5.865 -0.979
103 HA VAL 6 HA VAL 6 -0.176 -5.263 -3.436
104 HB VAL 6 HB VAL 6 -1.219 -6.631 -0.950
105 1HG1 VAL 6 1HG1 VAL 6 -2.610 -5.645 -3.070
106 2HG1 VAL 6 2HG1 VAL 6 -3.139 -6.988 -2.057
107 3HG1 VAL 6 3HG1 VAL 6 -2.316 -7.306 -3.584
108 1HG2 VAL 6 1HG2 VAL 6 -0.092 -8.473 -1.467
109 2HG2 VAL 6 2HG2 VAL 6 0.746 -7.580 -2.736
110 3HG2 VAL 6 3HG2 VAL 6 -0.745 -8.447 -3.106
111 HA PRO 7 HA PRO 7 -1.608 -1.408 -1.703
112 1HB PRO 7 2HB PRO 7 -3.714 -1.623 -3.765
113 2HB PRO 7 1HB PRO 7 -2.512 -0.354 -3.512
114 1HG PRO 7 2HG PRO 7 -2.316 -2.065 -5.561
115 2HG PRO 7 1HG PRO 7 -0.880 -1.478 -4.702
116 1HD PRO 7 2HD PRO 7 -2.284 -4.111 -4.468
117 2HD PRO 7 1HD PRO 7 -0.543 -3.759 -4.478
118 H GLU 8 H GLU 8 -3.120 -0.815 -0.240
119 HA GLU 8 HA GLU 8 -5.012 -2.805 0.653
120 1HB GLU 8 2HB GLU 8 -4.293 -0.050 1.646
121 2HB GLU 8 1HB GLU 8 -5.583 -1.002 2.365
122 1HG GLU 8 2HG GLU 8 -3.968 -2.762 2.899
123 2HG GLU 8 1HG GLU 8 -2.680 -1.774 2.210
124 H TYR 9 H TYR 9 -5.834 -2.355 -1.748
125 HA TYR 9 HA TYR 9 -8.331 -0.877 -1.399
126 1HB TYR 9 2HB TYR 9 -6.563 -0.504 -3.831
127 2HB TYR 9 1HB TYR 9 -8.146 0.219 -3.579
128 HD1 TYR 9 HD1 TYR 9 -8.406 2.190 -2.250
129 HD2 TYR 9 HD2 TYR 9 -4.624 0.255 -2.481
130 HE1 TYR 9 HE1 TYR 9 -7.347 4.139 -1.186
131 HE2 TYR 9 HE2 TYR 9 -3.559 2.193 -1.416
132 HH TYR 9 HH TYR 9 -5.465 4.927 -0.241
133 H PHE 10 HN PHE 10 -9.982 -1.522 -2.884
134 HA PHE 10 HA PHE 10 -9.563 -3.710 -4.676
135 1HB PHE 10 2HB PHE 10 -11.172 -5.231 -3.470
136 2HB PHE 10 1HB PHE 10 -9.616 -5.040 -2.674
137 HD1 PHE 10 HD1 PHE 10 -9.567 -4.591 -0.418
138 HD2 PHE 10 HD2 PHE 10 -13.072 -3.614 -2.628
139 HE1 PHE 10 HE1 PHE 10 -10.709 -3.971 1.670
140 HE2 PHE 10 HE2 PHE 10 -14.215 -2.988 -0.543
141 HZ PHE 10 HZ PHE 10 -13.034 -3.166 1.610
Start of MODEL 13
1 1H VAL 11 1HT VAL 11 7.086 5.812 -1.636
2 2H VAL 11 2HT VAL 11 6.962 7.150 -0.609
3 3H VAL 11 3HT VAL 11 5.590 6.581 -1.424
4 HA VAL 11 HA VAL 11 5.388 4.719 -0.107
5 HB VAL 11 HB VAL 11 8.182 5.268 0.932
6 1HG1 VAL 11 1HG1 VAL 11 6.282 2.993 1.494
7 2HG1 VAL 11 2HG1 VAL 11 6.787 4.245 2.629
8 3HG1 VAL 11 3HG1 VAL 11 7.961 3.074 2.029
9 1HG2 VAL 11 1HG2 VAL 11 7.658 4.265 -1.492
10 2HG2 VAL 11 2HG2 VAL 11 7.550 2.783 -0.542
11 3HG2 VAL 11 3HG2 VAL 11 9.029 3.742 -0.514
12 H GLY 12 H GLY 12 3.953 5.239 1.410
13 1HA GLY 12 2HA GLY 12 3.012 6.208 3.275
14 2HA GLY 12 1HA GLY 12 4.626 6.717 3.754
15 H ILE 13 H ILE 13 5.457 8.686 2.933
16 HA ILE 13 HA ILE 13 3.481 10.739 2.660
17 HB ILE 13 HB ILE 13 6.483 10.902 2.308
18 1HG1 ILE 13 2HG1 ILE 13 5.882 10.142 4.551
19 2HG1 ILE 13 1HG1 ILE 13 6.496 11.790 4.609
20 1HG2 ILE 13 1HG2 ILE 13 6.169 12.992 1.639
21 2HG2 ILE 13 2HG2 ILE 13 5.403 13.352 3.186
22 3HG2 ILE 13 3HG2 ILE 13 4.423 12.817 1.821
23 1HD1 ILE 13 1HD1 ILE 13 4.696 12.303 5.792
24 2HD1 ILE 13 2HD1 ILE 13 3.950 10.741 5.453
25 3HD1 ILE 13 3HD1 ILE 13 3.750 12.078 4.321
26 H GLY 14 H GLY 14 2.594 11.448 0.827
27 1HA GLY 14 2HA GLY 14 2.254 11.873 -1.408
28 2HA GLY 14 1HA GLY 14 3.978 11.650 -1.638
29 H THR 15 H THR 15 1.679 9.330 -0.366
30 HA THR 15 HA THR 15 1.637 7.808 -2.825
31 HB THR 15 HB THR 15 2.846 6.595 -0.324
32 HG1 THR 15 HG1 THR 15 3.961 7.997 -2.346
33 1HG2 THR 15 1HG2 THR 15 2.983 5.258 -2.969
34 2HG2 THR 15 2HG2 THR 15 1.425 5.244 -2.144
35 3HG2 THR 15 3HG2 THR 15 2.847 4.561 -1.354
36 HA PRO 16 HA PRO 16 -2.281 7.089 -0.775
37 1HB PRO 16 2HB PRO 16 -3.640 6.270 -2.929
38 2HB PRO 16 1HB PRO 16 -3.157 7.960 -2.737
39 1HG PRO 16 2HG PRO 16 -1.932 5.817 -4.418
40 2HG PRO 16 1HG PRO 16 -2.178 7.532 -4.791
41 1HD PRO 16 2HD PRO 16 0.207 6.412 -3.921
42 2HD PRO 16 1HD PRO 16 -0.212 8.132 -3.811
43 H ILE 17 H ILE 17 -3.774 4.930 -2.302
44 HA ILE 17 HA ILE 17 -3.219 2.771 -0.617
45 HB ILE 17 HB ILE 17 -4.606 1.408 -2.174
46 1HG1 ILE 17 2HG1 ILE 17 -4.812 3.980 -3.757
47 2HG1 ILE 17 1HG1 ILE 17 -3.906 2.559 -4.265
48 1HG2 ILE 17 1HG2 ILE 17 -5.762 2.499 -0.443
49 2HG2 ILE 17 2HG2 ILE 17 -6.676 2.857 -1.908
50 3HG2 ILE 17 3HG2 ILE 17 -5.604 4.075 -1.219
51 1HD1 ILE 17 1HD1 ILE 17 -6.880 2.749 -3.869
52 2HD1 ILE 17 2HD1 ILE 17 -6.007 1.268 -4.262
53 3HD1 ILE 17 3HD1 ILE 17 -6.016 2.615 -5.401
54 H SER 18 H SER 18 -1.929 1.043 -0.766
55 HA SER 18 HA SER 18 -0.638 0.262 -3.205
56 1HB SER 18 2HB SER 18 1.669 0.619 -1.949
57 2HB SER 18 1HB SER 18 0.936 1.916 -2.890
58 HG SER 18 HG SER 18 0.177 2.841 -1.019
59 H PHE 19 H PHE 19 1.539 -1.109 -1.965
60 HA PHE 19 HA PHE 19 0.112 -3.010 -0.215
61 1HB PHE 19 2HB PHE 19 2.020 -3.742 -2.447
62 2HB PHE 19 1HB PHE 19 1.202 -4.866 -1.372
63 HD1 PHE 19 HD1 PHE 19 -0.840 -5.774 -1.973
64 HD2 PHE 19 HD2 PHE 19 0.545 -2.283 -3.971
65 HE1 PHE 19 HE1 PHE 19 -2.684 -5.971 -3.588
66 HE2 PHE 19 HE2 PHE 19 -1.303 -2.468 -5.584
67 HZ PHE 19 HZ PHE 19 -2.920 -4.315 -5.394
68 H TYR 20 H TYR 20 1.793 -4.684 0.583
69 HA TYR 20 HA TYR 20 4.433 -3.697 1.103
70 1HB TYR 20 2HB TYR 20 4.233 -3.773 3.583
71 2HB TYR 20 1HB TYR 20 3.346 -2.451 2.855
72 HD1 TYR 20 HD1 TYR 20 1.337 -1.984 3.864
73 HD2 TYR 20 HD2 TYR 20 2.644 -6.029 3.771
74 HE1 TYR 20 HE1 TYR 20 -0.673 -2.657 5.107
75 HE2 TYR 20 HE2 TYR 20 0.635 -6.712 5.008
76 HH TYR 20 HH TYR 20 -1.998 -4.525 5.589
77 H GLY 21 HN GLY 21 5.671 -5.268 2.409
78 1HA GLY 21 2HA GLY 21 6.433 -7.411 2.716
79 2HA GLY 21 1HA GLY 21 4.763 -7.823 3.076
80 2H GLY 1 H GLY 1 1.350 0.940 0.517
81 1HA GLY 1 2HA GLY 1 2.534 2.862 1.880
82 2HA GLY 1 1HA GLY 1 3.523 1.496 2.384
83 H GLY 2 H GLY 2 3.299 0.119 -0.165
84 1HA GLY 2 2HA GLY 2 4.192 1.723 -2.309
85 2HA GLY 2 1HA GLY 2 5.583 1.099 -1.441
86 H ALA 3 H ALA 3 6.369 -0.452 -2.655
87 HA ALA 3 HA ALA 3 4.660 -2.261 -4.129
88 1HB ALA 3 1HB ALA 3 7.664 -2.157 -3.841
89 2HB ALA 3 2HB ALA 3 6.713 -1.516 -5.180
90 3HB ALA 3 3HB ALA 3 6.787 -3.256 -4.904
91 H GLY 4 H GLY 4 4.165 -4.327 -3.551
92 1HA GLY 4 2HA GLY 4 5.638 -5.899 -1.740
93 2HA GLY 4 1HA GLY 4 4.325 -5.113 -0.874
94 H HIS 5 H HIS 5 3.074 -6.887 -0.459
95 HA HIS 5 HA HIS 5 1.880 -8.152 -2.834
96 1HB HIS 5 2HB HIS 5 2.731 -9.584 -0.308
97 2HB HIS 5 1HB HIS 5 1.782 -10.308 -1.600
98 HD1 HIS 5 HD1 HIS 5 5.231 -8.829 -0.998
99 HD2 HIS 5 HD2 HIS 5 3.255 -11.397 -3.620
100 HE1 HIS 5 HE1 HIS 5 7.011 -9.767 -2.510
101 HE2 HIS 5 HE2 HIS 5 5.779 -11.218 -4.159
102 H VAL 6 H VAL 6 1.542 -7.481 0.637
103 HA VAL 6 HA VAL 6 -1.344 -7.899 0.442
104 HB VAL 6 HB VAL 6 0.285 -7.140 2.874
105 1HG1 VAL 6 1HG1 VAL 6 -2.245 -8.612 3.158
106 2HG1 VAL 6 2HG1 VAL 6 -2.397 -6.957 2.570
107 3HG1 VAL 6 3HG1 VAL 6 -1.592 -7.276 4.107
108 1HG2 VAL 6 1HG2 VAL 6 -0.319 -9.689 3.347
109 2HG2 VAL 6 2HG2 VAL 6 1.160 -9.207 2.514
110 3HG2 VAL 6 3HG2 VAL 6 -0.235 -9.759 1.587
111 HA PRO 7 HA PRO 7 -2.002 -3.561 -0.342
112 1HB PRO 7 2HB PRO 7 -4.742 -4.109 0.615
113 2HB PRO 7 1HB PRO 7 -4.199 -3.493 -0.949
114 1HG PRO 7 2HG PRO 7 -5.138 -5.988 -0.679
115 2HG PRO 7 1HG PRO 7 -3.818 -5.606 -1.800
116 1HD PRO 7 2HD PRO 7 -3.700 -6.875 0.907
117 2HD PRO 7 1HD PRO 7 -2.777 -7.260 -0.561
118 H GLU 8 H GLU 8 -1.924 -1.744 0.862
119 HA GLU 8 HA GLU 8 -1.835 -2.014 3.733
120 1HB GLU 8 2HB GLU 8 -1.604 0.585 2.234
121 2HB GLU 8 1HB GLU 8 -0.894 0.146 3.784
122 1HG GLU 8 2HG GLU 8 0.376 -1.637 2.408
123 2HG GLU 8 1HG GLU 8 -0.056 -0.627 1.034
124 H TYR 9 H TYR 9 -4.237 -2.671 3.298
125 HA TYR 9 HA TYR 9 -6.087 -0.467 3.223
126 1HB TYR 9 2HB TYR 9 -7.764 -2.339 3.828
127 2HB TYR 9 1HB TYR 9 -6.999 -2.374 2.248
128 HD1 TYR 9 HD1 TYR 9 -6.588 -4.515 1.544
129 HD2 TYR 9 HD2 TYR 9 -6.028 -3.610 5.663
130 HE1 TYR 9 HE1 TYR 9 -5.846 -6.823 1.946
131 HE2 TYR 9 HE2 TYR 9 -5.280 -5.915 6.074
132 HH TYR 9 HH TYR 9 -4.362 -7.794 4.874
133 H PHE 10 HN PHE 10 -7.493 0.168 4.890
134 HA PHE 10 HA PHE 10 -7.154 -0.775 7.573
135 1HB PHE 10 2HB PHE 10 -5.169 0.754 7.230
136 2HB PHE 10 1HB PHE 10 -6.305 2.069 6.956
137 HD1 PHE 10 HD1 PHE 10 -6.181 -0.677 9.481
138 HD2 PHE 10 HD2 PHE 10 -6.240 3.512 8.736
139 HE1 PHE 10 HE1 PHE 10 -6.265 -0.252 11.903
140 HE2 PHE 10 HE2 PHE 10 -6.324 3.945 11.157
141 HZ PHE 10 HZ PHE 10 -6.336 2.062 12.744
Start of MODEL 14
1 1H VAL 11 1HT VAL 11 3.364 4.437 1.011
2 2H VAL 11 2HT VAL 11 2.294 5.576 0.362
3 3H VAL 11 3HT VAL 11 3.068 5.891 1.830
4 HA VAL 11 HA VAL 11 4.810 6.767 0.838
5 HB VAL 11 HB VAL 11 5.656 4.475 0.470
6 1HG1 VAL 11 1HG1 VAL 11 4.412 4.600 -2.268
7 2HG1 VAL 11 2HG1 VAL 11 3.710 3.720 -0.910
8 3HG1 VAL 11 3HG1 VAL 11 5.291 3.255 -1.539
9 1HG2 VAL 11 1HG2 VAL 11 6.167 6.558 -1.620
10 2HG2 VAL 11 2HG2 VAL 11 7.014 5.011 -1.654
11 3HG2 VAL 11 3HG2 VAL 11 7.176 6.074 -0.256
12 H GLY 12 H GLY 12 5.118 8.335 -0.761
13 1HA GLY 12 2HA GLY 12 4.629 9.600 -2.648
14 2HA GLY 12 1HA GLY 12 3.523 8.338 -3.176
15 H ILE 13 H ILE 13 1.643 8.082 -1.533
16 HA ILE 13 HA ILE 13 0.262 10.626 -1.431
17 HB ILE 13 HB ILE 13 -0.695 7.898 -0.513
18 1HG1 ILE 13 2HG1 ILE 13 -0.094 7.843 -2.889
19 2HG1 ILE 13 1HG1 ILE 13 -1.838 7.735 -2.682
20 1HG2 ILE 13 1HG2 ILE 13 -2.461 9.001 0.261
21 2HG2 ILE 13 2HG2 ILE 13 -2.845 9.449 -1.401
22 3HG2 ILE 13 3HG2 ILE 13 -1.865 10.523 -0.402
23 1HD1 ILE 13 1HD1 ILE 13 -1.040 9.211 -4.546
24 2HD1 ILE 13 2HD1 ILE 13 -0.421 10.307 -3.311
25 3HD1 ILE 13 3HD1 ILE 13 -2.149 9.965 -3.401
26 H GLY 14 H GLY 14 -0.670 11.431 0.591
27 1HA GLY 14 2HA GLY 14 1.123 11.667 2.679
28 2HA GLY 14 1HA GLY 14 -0.591 12.007 2.813
29 H THR 15 H THR 15 -1.456 9.336 2.292
30 HA THR 15 HA THR 15 -1.233 8.268 4.924
31 HB THR 15 HB THR 15 -2.532 6.314 3.778
32 HG1 THR 15 HG1 THR 15 -3.572 6.998 1.846
33 1HG2 THR 15 1HG2 THR 15 -4.616 7.569 3.975
34 2HG2 THR 15 2HG2 THR 15 -3.719 9.087 3.943
35 3HG2 THR 15 3HG2 THR 15 -3.521 7.974 5.297
36 HA PRO 16 HA PRO 16 2.269 5.633 4.358
37 1HB PRO 16 2HB PRO 16 1.780 3.781 6.275
38 2HB PRO 16 1HB PRO 16 2.292 5.432 6.644
39 1HG PRO 16 2HG PRO 16 -0.458 4.247 6.689
40 2HG PRO 16 1HG PRO 16 0.313 5.329 7.865
41 1HD PRO 16 2HD PRO 16 -1.439 6.216 6.002
42 2HD PRO 16 1HD PRO 16 -0.089 7.207 6.591
43 H ILE 17 H ILE 17 0.249 5.129 2.445
44 HA ILE 17 HA ILE 17 -0.638 2.470 2.361
45 HB ILE 17 HB ILE 17 -1.030 2.792 -0.008
46 1HG1 ILE 17 2HG1 ILE 17 0.489 5.399 0.255
47 2HG1 ILE 17 1HG1 ILE 17 1.126 3.949 -0.513
48 1HG2 ILE 17 1HG2 ILE 17 -1.669 5.074 1.823
49 2HG2 ILE 17 2HG2 ILE 17 -2.709 3.755 1.285
50 3HG2 ILE 17 3HG2 ILE 17 -2.262 5.039 0.162
51 1HD1 ILE 17 1HD1 ILE 17 -0.778 4.066 -2.121
52 2HD1 ILE 17 2HD1 ILE 17 0.361 5.409 -2.220
53 3HD1 ILE 17 3HD1 ILE 17 -1.194 5.629 -1.417
54 H SER 18 H SER 18 0.164 0.641 1.450
55 HA SER 18 HA SER 18 2.726 0.546 0.144
56 1HB SER 18 2HB SER 18 3.459 -1.133 2.073
57 2HB SER 18 1HB SER 18 3.750 0.599 2.209
58 HG SER 18 HG SER 18 2.204 0.772 3.678
59 H PHE 19 H PHE 19 3.125 -2.263 0.880
60 HA PHE 19 HA PHE 19 0.730 -3.472 -0.338
61 1HB PHE 19 2HB PHE 19 3.612 -4.052 -1.066
62 2HB PHE 19 1HB PHE 19 2.229 -4.972 -1.641
63 HD1 PHE 19 HD1 PHE 19 3.648 -1.526 -1.632
64 HD2 PHE 19 HD2 PHE 19 1.191 -4.379 -3.614
65 HE1 PHE 19 HE1 PHE 19 3.429 0.000 -3.549
66 HE2 PHE 19 HE2 PHE 19 0.968 -2.859 -5.534
67 HZ PHE 19 HZ PHE 19 2.088 -0.666 -5.504
68 H TYR 20 H TYR 20 0.767 -5.898 -0.136
69 HA TYR 20 HA TYR 20 2.301 -6.985 2.057
70 1HB TYR 20 2HB TYR 20 0.403 -7.707 3.390
71 2HB TYR 20 1HB TYR 20 0.418 -5.963 3.259
72 HD1 TYR 20 HD1 TYR 20 -1.279 -9.041 2.129
73 HD2 TYR 20 HD2 TYR 20 -1.409 -4.792 2.245
74 HE1 TYR 20 HE1 TYR 20 -3.619 -9.097 1.377
75 HE2 TYR 20 HE2 TYR 20 -3.746 -4.836 1.494
76 HH TYR 20 HH TYR 20 -5.396 -6.115 0.688
77 H GLY 21 HN GLY 21 1.859 -9.292 2.344
78 1HA GLY 21 2HA GLY 21 1.730 -11.414 1.469
79 2HA GLY 21 1HA GLY 21 0.331 -10.836 0.577
80 2H GLY 1 H GLY 1 1.171 -1.441 3.754
81 1HA GLY 1 2HA GLY 1 1.196 -1.996 6.252
82 2HA GLY 1 1HA GLY 1 1.247 -3.662 5.692
83 H GLY 2 H GLY 2 2.950 -3.224 3.456
84 1HA GLY 2 2HA GLY 2 5.345 -1.894 4.068
85 2HA GLY 2 1HA GLY 2 5.463 -3.539 4.664
86 H ALA 3 H ALA 3 6.584 -4.684 3.325
87 HA ALA 3 HA ALA 3 6.443 -4.199 0.449
88 1HB ALA 3 1HB ALA 3 8.640 -4.576 0.674
89 2HB ALA 3 2HB ALA 3 8.213 -6.281 0.826
90 3HB ALA 3 3HB ALA 3 8.435 -5.295 2.272
91 H GLY 4 H GLY 4 5.373 -5.551 -0.918
92 1HA GLY 4 2HA GLY 4 4.925 -8.295 -0.410
93 2HA GLY 4 1HA GLY 4 3.495 -7.374 0.033
94 H HIS 5 H HIS 5 2.106 -8.005 -1.544
95 HA HIS 5 HA HIS 5 2.858 -7.248 -4.288
96 1HB HIS 5 2HB HIS 5 1.333 -9.742 -3.507
97 2HB HIS 5 1HB HIS 5 1.604 -9.195 -5.156
98 HD1 HIS 5 HD1 HIS 5 3.554 -10.440 -2.141
99 HD2 HIS 5 HD2 HIS 5 3.934 -10.065 -6.275
100 HE1 HIS 5 HE1 HIS 5 5.711 -11.590 -2.737
101 HE2 HIS 5 HE2 HIS 5 5.984 -11.236 -5.216
102 H VAL 6 H VAL 6 0.201 -7.926 -2.033
103 HA VAL 6 HA VAL 6 -1.706 -6.578 -3.758
104 HB VAL 6 HB VAL 6 -2.156 -7.564 -0.937
105 1HG1 VAL 6 1HG1 VAL 6 -3.763 -6.063 -2.630
106 2HG1 VAL 6 2HG1 VAL 6 -4.278 -6.943 -1.191
107 3HG1 VAL 6 3HG1 VAL 6 -4.384 -7.707 -2.777
108 1HG2 VAL 6 1HG2 VAL 6 -3.137 -9.220 -3.150
109 2HG2 VAL 6 2HG2 VAL 6 -2.388 -9.689 -1.624
110 3HG2 VAL 6 3HG2 VAL 6 -1.382 -9.182 -2.980
111 HA PRO 7 HA PRO 7 -0.738 -2.642 -1.929
112 1HB PRO 7 2HB PRO 7 -3.167 -1.663 -3.240
113 2HB PRO 7 1HB PRO 7 -1.482 -1.224 -3.529
114 1HG PRO 7 2HG PRO 7 -2.921 -2.668 -5.299
115 2HG PRO 7 1HG PRO 7 -1.175 -2.892 -5.084
116 1HD PRO 7 2HD PRO 7 -3.443 -4.537 -4.026
117 2HD PRO 7 1HD PRO 7 -1.887 -5.064 -4.704
118 H GLU 8 H GLU 8 -1.185 -1.915 0.010
119 HA GLU 8 HA GLU 8 -3.880 -2.257 1.113
120 1HB GLU 8 2HB GLU 8 -2.464 -1.643 3.309
121 2HB GLU 8 1HB GLU 8 -2.671 -3.292 2.743
122 1HG GLU 8 2HG GLU 8 -0.512 -3.202 1.643
123 2HG GLU 8 1HG GLU 8 -0.299 -1.535 2.161
124 H TYR 9 H TYR 9 -4.442 -0.451 -0.157
125 HA TYR 9 HA TYR 9 -3.310 2.130 0.334
126 1HB TYR 9 2HB TYR 9 -4.298 1.579 -1.830
127 2HB TYR 9 1HB TYR 9 -5.867 1.345 -1.078
128 HD1 TYR 9 HD1 TYR 9 -3.224 3.971 -1.402
129 HD2 TYR 9 HD2 TYR 9 -7.380 3.086 -1.184
130 HE1 TYR 9 HE1 TYR 9 -3.743 6.346 -1.763
131 HE2 TYR 9 HE2 TYR 9 -7.909 5.459 -1.547
132 HH TYR 9 HH TYR 9 -6.302 7.796 -1.022
133 H PHE 10 HN PHE 10 -4.387 3.907 1.197
134 HA PHE 10 HA PHE 10 -6.760 3.657 2.778
135 1HB PHE 10 2HB PHE 10 -5.024 2.638 4.271
136 2HB PHE 10 1HB PHE 10 -4.120 4.144 4.193
137 HD1 PHE 10 HD1 PHE 10 -4.207 5.224 6.208
138 HD2 PHE 10 HD2 PHE 10 -7.732 3.356 4.725
139 HE1 PHE 10 HE1 PHE 10 -5.468 6.078 8.140
140 HE2 PHE 10 HE2 PHE 10 -9.000 4.209 6.653
141 HZ PHE 10 HZ PHE 10 -7.868 5.572 8.364
Start of MODEL 15
1 1H VAL 11 1HT VAL 11 4.058 6.266 4.669
2 2H VAL 11 2HT VAL 11 4.711 4.862 5.357
3 3H VAL 11 3HT VAL 11 4.146 6.107 6.352
4 HA VAL 11 HA VAL 11 2.439 4.541 4.512
5 HB VAL 11 HB VAL 11 2.596 4.340 7.528
6 1HG1 VAL 11 1HG1 VAL 11 1.183 2.527 5.582
7 2HG1 VAL 11 2HG1 VAL 11 0.399 3.869 6.415
8 3HG1 VAL 11 3HG1 VAL 11 1.067 2.525 7.342
9 1HG2 VAL 11 1HG2 VAL 11 3.824 2.624 5.391
10 2HG2 VAL 11 2HG2 VAL 11 3.474 2.003 7.005
11 3HG2 VAL 11 3HG2 VAL 11 4.594 3.350 6.802
12 H GLY 12 H GLY 12 0.459 5.440 4.232
13 1HA GLY 12 2HA GLY 12 -1.363 6.810 4.570
14 2HA GLY 12 1HA GLY 12 -0.782 7.094 6.206
15 H ILE 13 H ILE 13 -0.294 9.135 6.618
16 HA ILE 13 HA ILE 13 -0.165 11.120 4.628
17 HB ILE 13 HB ILE 13 0.542 12.673 6.368
18 1HG1 ILE 13 2HG1 ILE 13 2.054 11.018 7.569
19 2HG1 ILE 13 1HG1 ILE 13 1.084 12.062 8.598
20 1HG2 ILE 13 1HG2 ILE 13 -1.745 12.475 6.359
21 2HG2 ILE 13 2HG2 ILE 13 -1.362 12.109 8.042
22 3HG2 ILE 13 3HG2 ILE 13 -1.712 10.800 6.912
23 1HD1 ILE 13 1HD1 ILE 13 0.654 9.149 8.000
24 2HD1 ILE 13 2HD1 ILE 13 -0.537 10.159 8.820
25 3HD1 ILE 13 3HD1 ILE 13 1.048 9.898 9.548
26 H GLY 14 H GLY 14 1.488 12.060 3.572
27 1HA GLY 14 2HA GLY 14 3.617 12.434 2.785
28 2HA GLY 14 1HA GLY 14 4.215 11.848 4.327
29 H THR 15 H THR 15 2.181 10.048 2.132
30 HA THR 15 HA THR 15 4.372 8.497 1.068
31 HB THR 15 HB THR 15 2.323 7.163 2.861
32 HG1 THR 15 HG1 THR 15 4.653 8.322 3.453
33 1HG2 THR 15 1HG2 THR 15 3.271 5.948 0.757
34 2HG2 THR 15 2HG2 THR 15 3.235 5.105 2.306
35 3HG2 THR 15 3HG2 THR 15 4.741 5.814 1.722
36 HA PRO 16 HA PRO 16 1.146 8.383 -2.027
37 1HB PRO 16 2HB PRO 16 2.626 7.447 -4.055
38 2HB PRO 16 1HB PRO 16 2.850 9.088 -3.437
39 1HG PRO 16 2HG PRO 16 4.483 6.636 -2.943
40 2HG PRO 16 1HG PRO 16 5.016 8.307 -3.194
41 1HD PRO 16 2HD PRO 16 4.774 7.069 -0.726
42 2HD PRO 16 1HD PRO 16 4.787 8.823 -0.987
43 H ILE 17 H ILE 17 1.456 6.321 -4.074
44 HA ILE 17 HA ILE 17 -0.003 4.241 -2.833
45 HB ILE 17 HB ILE 17 -0.459 4.639 -5.111
46 1HG1 ILE 17 2HG1 ILE 17 1.073 2.041 -4.953
47 2HG1 ILE 17 1HG1 ILE 17 -0.584 2.281 -4.409
48 1HG2 ILE 17 1HG2 ILE 17 1.224 4.305 -6.906
49 2HG2 ILE 17 2HG2 ILE 17 2.458 4.133 -5.658
50 3HG2 ILE 17 3HG2 ILE 17 1.589 5.658 -5.834
51 1HD1 ILE 17 1HD1 ILE 17 0.188 2.841 -7.242
52 2HD1 ILE 17 2HD1 ILE 17 -1.397 2.457 -6.570
53 3HD1 ILE 17 3HD1 ILE 17 -0.166 1.200 -6.701
54 H SER 18 H SER 18 0.563 2.258 -2.208
55 HA SER 18 HA SER 18 3.211 1.204 -2.602
56 1HB SER 18 2HB SER 18 3.440 0.981 -0.003
57 2HB SER 18 1HB SER 18 3.905 2.488 -0.791
58 HG SER 18 HG SER 18 1.914 3.368 -0.197
59 H PHE 19 H PHE 19 3.268 -0.726 -0.654
60 HA PHE 19 HA PHE 19 0.712 -2.167 -0.886
61 1HB PHE 19 2HB PHE 19 3.425 -3.359 -1.516
62 2HB PHE 19 1HB PHE 19 1.900 -4.230 -1.493
63 HD1 PHE 19 HD1 PHE 19 3.742 -1.526 -3.247
64 HD2 PHE 19 HD2 PHE 19 0.572 -4.359 -3.402
65 HE1 PHE 19 HE1 PHE 19 3.434 -1.044 -5.639
66 HE2 PHE 19 HE2 PHE 19 0.258 -3.881 -5.794
67 HZ PHE 19 HZ PHE 19 1.690 -2.223 -6.916
68 H TYR 20 H TYR 20 1.037 -4.351 0.332
69 HA TYR 20 HA TYR 20 2.755 -4.353 2.606
70 1HB TYR 20 2HB TYR 20 1.060 -4.227 4.355
71 2HB TYR 20 1HB TYR 20 1.109 -2.735 3.440
72 HD1 TYR 20 HD1 TYR 20 -0.860 -5.739 4.195
73 HD2 TYR 20 HD2 TYR 20 -0.776 -2.053 2.082
74 HE1 TYR 20 HE1 TYR 20 -3.285 -5.903 3.825
75 HE2 TYR 20 HE2 TYR 20 -3.200 -2.202 1.708
76 HH TYR 20 HH TYR 20 -4.978 -3.666 1.737
77 H GLY 21 HN GLY 21 2.304 -6.226 3.999
78 1HA GLY 21 2HA GLY 21 1.990 -8.490 4.239
79 2HA GLY 21 1HA GLY 21 0.492 -8.261 3.348
80 2H GLY 1 H GLY 1 2.020 -0.182 2.000
81 1HA GLY 1 2HA GLY 1 2.455 2.247 3.560
82 2HA GLY 1 1HA GLY 1 2.789 0.723 4.366
83 H GLY 2 H GLY 2 3.806 -0.614 2.026
84 1HA GLY 2 2HA GLY 2 5.972 0.843 0.890
85 2HA GLY 2 1HA GLY 2 6.511 -0.109 2.261
86 H ALA 3 H ALA 3 7.479 -1.832 1.524
87 HA ALA 3 HA ALA 3 6.757 -3.088 -0.958
88 1HB ALA 3 1HB ALA 3 9.040 -3.038 0.630
89 2HB ALA 3 2HB ALA 3 8.794 -3.993 -0.832
90 3HB ALA 3 3HB ALA 3 8.455 -4.698 0.749
91 H GLY 4 H GLY 4 5.486 -4.865 -1.248
92 1HA GLY 4 2HA GLY 4 4.916 -6.808 0.692
93 2HA GLY 4 1HA GLY 4 3.639 -5.600 0.734
94 H HIS 5 H HIS 5 1.980 -6.797 -0.098
95 HA HIS 5 HA HIS 5 2.295 -7.595 -2.912
96 1HB HIS 5 2HB HIS 5 0.886 -9.208 -0.774
97 2HB HIS 5 1HB HIS 5 0.839 -9.565 -2.495
98 HD1 HIS 5 HD1 HIS 5 3.307 -9.408 0.386
99 HD2 HIS 5 HD2 HIS 5 2.904 -11.105 -3.400
100 HE1 HIS 5 HE1 HIS 5 5.297 -10.923 0.099
101 HE2 HIS 5 HE2 HIS 5 5.095 -11.842 -2.238
102 H VAL 6 H VAL 6 -0.007 -6.880 -0.301
103 HA VAL 6 HA VAL 6 -2.097 -6.281 -2.230
104 HB VAL 6 HB VAL 6 -2.172 -5.877 0.765
105 1HG1 VAL 6 1HG1 VAL 6 -4.073 -4.838 0.160
106 2HG1 VAL 6 2HG1 VAL 6 -4.697 -6.480 0.001
107 3HG1 VAL 6 3HG1 VAL 6 -4.118 -5.614 -1.423
108 1HG2 VAL 6 1HG2 VAL 6 -3.599 -8.202 -0.174
109 2HG2 VAL 6 2HG2 VAL 6 -2.392 -8.065 1.104
110 3HG2 VAL 6 3HG2 VAL 6 -1.883 -8.309 -0.567
111 HA PRO 7 HA PRO 7 -0.793 -2.031 -2.534
112 1HB PRO 7 2HB PRO 7 -3.451 -1.552 -3.696
113 2HB PRO 7 1HB PRO 7 -1.856 -1.356 -4.425
114 1HG PRO 7 2HG PRO 7 -3.517 -3.339 -5.157
115 2HG PRO 7 1HG PRO 7 -1.757 -3.550 -5.124
116 1HD PRO 7 2HD PRO 7 -3.814 -4.452 -3.143
117 2HD PRO 7 1HD PRO 7 -2.377 -5.307 -3.745
118 H GLU 8 H GLU 8 -1.011 -0.251 -1.306
119 HA GLU 8 HA GLU 8 -2.978 -0.258 0.808
120 1HB GLU 8 2HB GLU 8 -0.694 1.609 0.155
121 2HB GLU 8 1HB GLU 8 -1.789 1.869 1.507
122 1HG GLU 8 2HG GLU 8 -1.143 -0.364 2.374
123 2HG GLU 8 1HG GLU 8 0.061 -0.461 1.092
124 H TYR 9 H TYR 9 -4.460 -0.142 -1.273
125 HA TYR 9 HA TYR 9 -5.739 2.419 -1.121
126 1HB TYR 9 2HB TYR 9 -4.054 2.894 -2.845
127 2HB TYR 9 1HB TYR 9 -4.627 1.534 -3.797
128 HD1 TYR 9 HD1 TYR 9 -6.128 4.524 -2.111
129 HD2 TYR 9 HD2 TYR 9 -5.914 2.120 -5.615
130 HE1 TYR 9 HE1 TYR 9 -7.753 6.000 -3.215
131 HE2 TYR 9 HE2 TYR 9 -7.537 3.593 -6.730
132 HH TYR 9 HH TYR 9 -9.546 5.432 -5.411
133 H PHE 10 HN PHE 10 -7.797 2.419 -2.141
134 HA PHE 10 HA PHE 10 -8.870 0.041 -3.322
135 1HB PHE 10 2HB PHE 10 -8.856 -0.505 -0.858
136 2HB PHE 10 1HB PHE 10 -9.925 0.869 -0.603
137 HD1 PHE 10 HD1 PHE 10 -9.864 -1.870 -3.141
138 HD2 PHE 10 HD2 PHE 10 -12.026 0.127 -0.066
139 HE1 PHE 10 HE1 PHE 10 -11.810 -3.310 -3.579
140 HE2 PHE 10 HE2 PHE 10 -13.975 -1.310 -0.499
141 HZ PHE 10 HZ PHE 10 -13.869 -3.031 -2.257
Start of MODEL 16
1 1H VAL 11 1HT VAL 11 2.903 10.336 4.120
2 2H VAL 11 2HT VAL 11 3.246 10.602 5.760
3 3H VAL 11 3HT VAL 11 2.036 11.501 4.991
4 HA VAL 11 HA VAL 11 1.893 8.566 5.224
5 HB VAL 11 HB VAL 11 0.622 10.584 7.092
6 1HG1 VAL 11 1HG1 VAL 11 -0.500 8.874 8.107
7 2HG1 VAL 11 2HG1 VAL 11 0.697 7.664 7.643
8 3HG1 VAL 11 3HG1 VAL 11 -0.461 8.261 6.454
9 1HG2 VAL 11 1HG2 VAL 11 3.126 10.208 7.353
10 2HG2 VAL 11 2HG2 VAL 11 2.716 8.564 7.843
11 3HG2 VAL 11 3HG2 VAL 11 2.126 9.936 8.780
12 H GLY 12 H GLY 12 0.150 7.790 4.143
13 1HA GLY 12 2HA GLY 12 -1.844 7.769 2.985
14 2HA GLY 12 1HA GLY 12 -2.204 9.347 3.677
15 H ILE 13 H ILE 13 -2.409 10.895 2.223
16 HA ILE 13 HA ILE 13 -1.635 10.598 -0.480
17 HB ILE 13 HB ILE 13 -2.214 13.017 -0.698
18 1HG1 ILE 13 2HG1 ILE 13 -2.843 12.792 2.257
19 2HG1 ILE 13 1HG1 ILE 13 -1.513 13.718 1.570
20 1HG2 ILE 13 1HG2 ILE 13 -4.640 12.688 0.027
21 2HG2 ILE 13 2HG2 ILE 13 -4.127 11.099 0.595
22 3HG2 ILE 13 3HG2 ILE 13 -3.967 11.520 -1.110
23 1HD1 ILE 13 1HD1 ILE 13 -2.858 15.465 1.436
24 2HD1 ILE 13 2HD1 ILE 13 -4.221 14.496 1.995
25 3HD1 ILE 13 3HD1 ILE 13 -3.851 14.587 0.273
26 H GLY 14 H GLY 14 0.117 11.328 -1.589
27 1HA GLY 14 2HA GLY 14 2.197 12.240 -1.986
28 2HA GLY 14 1HA GLY 14 1.987 13.200 -0.533
29 H THR 15 H THR 15 1.918 9.710 -0.802
30 HA THR 15 HA THR 15 4.566 9.393 0.301
31 HB THR 15 HB THR 15 2.143 8.545 1.916
32 HG1 THR 15 HG1 THR 15 3.490 10.832 1.881
33 1HG2 THR 15 1HG2 THR 15 3.510 6.928 2.665
34 2HG2 THR 15 2HG2 THR 15 4.357 8.224 3.510
35 3HG2 THR 15 3HG2 THR 15 4.934 7.672 1.938
36 HA PRO 16 HA PRO 16 3.956 5.841 -2.334
37 1HB PRO 16 2HB PRO 16 6.521 4.908 -1.240
38 2HB PRO 16 1HB PRO 16 6.097 5.321 -2.903
39 1HG PRO 16 2HG PRO 16 7.720 6.875 -1.426
40 2HG PRO 16 1HG PRO 16 6.595 7.555 -2.617
41 1HD PRO 16 2HD PRO 16 6.334 7.398 0.364
42 2HD PRO 16 1HD PRO 16 5.922 8.733 -0.734
43 H ILE 17 H ILE 17 2.479 4.442 -1.604
44 HA ILE 17 HA ILE 17 2.789 3.151 0.969
45 HB ILE 17 HB ILE 17 0.581 2.118 0.462
46 1HG1 ILE 17 2HG1 ILE 17 0.696 3.867 -2.010
47 2HG1 ILE 17 1HG1 ILE 17 0.781 2.109 -2.003
48 1HG2 ILE 17 1HG2 ILE 17 -0.088 4.895 -0.009
49 2HG2 ILE 17 2HG2 ILE 17 1.194 4.721 1.189
50 3HG2 ILE 17 3HG2 ILE 17 -0.349 3.898 1.421
51 1HD1 ILE 17 1HD1 ILE 17 -1.423 2.667 -2.597
52 2HD1 ILE 17 2HD1 ILE 17 -1.554 3.855 -1.300
53 3HD1 ILE 17 3HD1 ILE 17 -1.496 2.134 -0.917
54 H SER 18 H SER 18 3.229 1.027 1.311
55 HA SER 18 HA SER 18 4.470 -0.400 -0.857
56 1HB SER 18 2HB SER 18 4.694 -2.134 1.125
57 2HB SER 18 1HB SER 18 5.691 -0.681 1.077
58 HG SER 18 HG SER 18 4.867 -0.470 3.027
59 H PHE 19 H PHE 19 3.976 -3.012 -0.476
60 HA PHE 19 HA PHE 19 1.060 -3.374 -0.622
61 1HB PHE 19 2HB PHE 19 3.026 -4.431 -2.671
62 2HB PHE 19 1HB PHE 19 1.305 -4.781 -2.629
63 HD1 PHE 19 HD1 PHE 19 -0.232 -3.372 -3.679
64 HD2 PHE 19 HD2 PHE 19 3.772 -2.054 -3.100
65 HE1 PHE 19 HE1 PHE 19 -0.657 -1.444 -5.145
66 HE2 PHE 19 HE2 PHE 19 3.352 -0.120 -4.559
67 HZ PHE 19 HZ PHE 19 1.134 0.187 -5.585
68 H TYR 20 H TYR 20 0.672 -5.832 -0.996
69 HA TYR 20 HA TYR 20 2.540 -7.657 0.144
70 1HB TYR 20 2HB TYR 20 1.262 -8.300 2.125
71 2HB TYR 20 1HB TYR 20 1.793 -6.636 2.236
72 HD1 TYR 20 HD1 TYR 20 0.186 -4.823 2.235
73 HD2 TYR 20 HD2 TYR 20 -1.106 -8.852 1.844
74 HE1 TYR 20 HE1 TYR 20 -2.115 -4.124 2.738
75 HE2 TYR 20 HE2 TYR 20 -3.415 -8.165 2.335
76 HH TYR 20 HH TYR 20 -4.321 -4.800 2.570
77 H GLY 21 HN GLY 21 1.652 -9.820 0.271
78 1HA GLY 21 2HA GLY 21 0.564 -11.587 -0.712
79 2HA GLY 21 1HA GLY 21 -0.878 -10.588 -0.613
80 2H GLY 1 H GLY 1 3.362 -3.934 2.191
81 1HA GLY 1 2HA GLY 1 4.905 -3.170 4.549
82 2HA GLY 1 1HA GLY 1 4.738 -4.892 4.242
83 H GLY 2 H GLY 2 4.865 -4.798 1.412
84 1HA GLY 2 2HA GLY 2 7.222 -3.423 0.555
85 2HA GLY 2 1HA GLY 2 7.551 -5.104 0.931
86 H ALA 3 H ALA 3 7.683 -6.176 -0.875
87 HA ALA 3 HA ALA 3 6.249 -5.439 -3.246
88 1HB ALA 3 1HB ALA 3 8.078 -6.456 -4.045
89 2HB ALA 3 2HB ALA 3 7.228 -7.966 -3.717
90 3HB ALA 3 3HB ALA 3 8.364 -7.319 -2.533
91 H GLY 4 H GLY 4 4.355 -6.255 -3.995
92 1HA GLY 4 2HA GLY 4 3.286 -8.771 -3.392
93 2HA GLY 4 1HA GLY 4 2.612 -7.612 -2.255
94 H HIS 5 H HIS 5 0.517 -7.631 -3.013
95 HA HIS 5 HA HIS 5 0.170 -6.425 -5.675
96 1HB HIS 5 2HB HIS 5 -1.561 -8.642 -4.557
97 2HB HIS 5 1HB HIS 5 -1.785 -7.832 -6.103
98 HD1 HIS 5 HD1 HIS 5 0.968 -7.958 -7.319
99 HD2 HIS 5 HD2 HIS 5 -0.692 -11.115 -5.194
100 HE1 HIS 5 HE1 HIS 5 2.166 -10.014 -8.126
101 HE2 HIS 5 HE2 HIS 5 1.318 -11.857 -6.633
102 H VAL 6 H VAL 6 -1.321 -7.104 -2.525
103 HA VAL 6 HA VAL 6 -3.293 -5.011 -2.923
104 HB VAL 6 HB VAL 6 -2.736 -6.568 -0.393
105 1HG1 VAL 6 1HG1 VAL 6 -4.559 -5.607 0.498
106 2HG1 VAL 6 2HG1 VAL 6 -5.458 -5.672 -1.018
107 3HG1 VAL 6 3HG1 VAL 6 -4.300 -4.372 -0.734
108 1HG2 VAL 6 1HG2 VAL 6 -5.060 -7.416 -1.908
109 2HG2 VAL 6 2HG2 VAL 6 -3.757 -8.376 -1.206
110 3HG2 VAL 6 3HG2 VAL 6 -3.559 -7.654 -2.803
111 HA PRO 7 HA PRO 7 -0.523 -1.900 -1.334
112 1HB PRO 7 2HB PRO 7 -2.933 -0.237 -1.087
113 2HB PRO 7 1HB PRO 7 -1.499 0.007 -2.087
114 1HG PRO 7 2HG PRO 7 -3.874 -0.676 -3.149
115 2HG PRO 7 1HG PRO 7 -2.339 -1.245 -3.831
116 1HD PRO 7 2HD PRO 7 -4.287 -2.693 -2.077
117 2HD PRO 7 1HD PRO 7 -3.382 -3.286 -3.486
118 H GLU 8 H GLU 8 0.117 -1.261 0.633
119 HA GLU 8 HA GLU 8 -1.400 -2.109 2.943
120 1HB GLU 8 2HB GLU 8 1.329 -0.845 2.649
121 2HB GLU 8 1HB GLU 8 0.611 -1.238 4.205
122 1HG GLU 8 2HG GLU 8 0.446 -3.599 3.458
123 2HG GLU 8 1HG GLU 8 1.337 -3.151 2.006
124 H TYR 9 H TYR 9 -2.999 -0.416 1.958
125 HA TYR 9 HA TYR 9 -3.008 1.799 3.799
126 1HB TYR 9 2HB TYR 9 -1.651 2.679 1.922
127 2HB TYR 9 1HB TYR 9 -2.989 2.378 0.825
128 HD1 TYR 9 HD1 TYR 9 -2.576 4.020 4.168
129 HD2 TYR 9 HD2 TYR 9 -4.083 4.304 0.199
130 HE1 TYR 9 HE1 TYR 9 -3.468 6.253 4.674
131 HE2 TYR 9 HE2 TYR 9 -4.979 6.540 0.694
132 HH TYR 9 HH TYR 9 -5.679 7.689 3.331
133 H PHE 10 HN PHE 10 -5.016 2.993 3.706
134 HA PHE 10 HA PHE 10 -7.227 1.996 2.177
135 1HB PHE 10 2HB PHE 10 -7.014 0.291 4.008
136 2HB PHE 10 1HB PHE 10 -7.232 1.581 5.183
137 HD1 PHE 10 HD1 PHE 10 -9.277 1.396 6.193
138 HD2 PHE 10 HD2 PHE 10 -8.985 0.693 2.005
139 HE1 PHE 10 HE1 PHE 10 -11.715 1.086 6.078
140 HE2 PHE 10 HE2 PHE 10 -11.423 0.384 1.883
141 HZ PHE 10 HZ PHE 10 -12.791 0.581 3.922
Start of MODEL 17
1 1H VAL 11 1HT VAL 11 2.851 3.579 0.143
2 2H VAL 11 2HT VAL 11 4.466 3.423 0.633
3 3H VAL 11 3HT VAL 11 4.091 4.277 -0.777
4 HA VAL 11 HA VAL 11 2.622 5.616 0.985
5 HB VAL 11 HB VAL 11 4.101 6.100 2.917
6 1HG1 VAL 11 1HG1 VAL 11 2.328 4.705 3.470
7 2HG1 VAL 11 2HG1 VAL 11 3.736 3.819 4.059
8 3HG1 VAL 11 3HG1 VAL 11 2.973 3.353 2.538
9 1HG2 VAL 11 1HG2 VAL 11 5.625 3.624 2.118
10 2HG2 VAL 11 2HG2 VAL 11 5.953 4.696 3.479
11 3HG2 VAL 11 3HG2 VAL 11 6.195 5.268 1.828
12 H GLY 12 H GLY 12 3.852 7.764 1.649
13 1HA GLY 12 2HA GLY 12 6.201 8.585 0.470
14 2HA GLY 12 1HA GLY 12 4.969 8.781 -0.770
15 H ILE 13 H ILE 13 5.612 11.076 -0.553
16 HA ILE 13 HA ILE 13 4.825 12.461 1.845
17 HB ILE 13 HB ILE 13 6.751 13.247 0.591
18 1HG1 ILE 13 2HG1 ILE 13 4.490 15.256 0.466
19 2HG1 ILE 13 1HG1 ILE 13 5.439 14.878 1.900
20 1HG2 ILE 13 1HG2 ILE 13 6.651 12.993 -1.624
21 2HG2 ILE 13 2HG2 ILE 13 5.908 14.592 -1.616
22 3HG2 ILE 13 3HG2 ILE 13 4.894 13.150 -1.666
23 1HD1 ILE 13 1HD1 ILE 13 6.037 16.977 0.588
24 2HD1 ILE 13 2HD1 ILE 13 6.726 15.882 -0.611
25 3HD1 ILE 13 3HD1 ILE 13 7.353 15.893 1.037
26 H GLY 14 H GLY 14 2.634 11.291 1.428
27 1HA GLY 14 2HA GLY 14 0.640 13.155 1.133
28 2HA GLY 14 1HA GLY 14 0.847 12.445 -0.466
29 H THR 15 H THR 15 -0.351 10.750 -0.880
30 HA THR 15 HA THR 15 -0.882 8.766 1.170
31 HB THR 15 HB THR 15 -3.236 9.902 -0.344
32 HG1 THR 15 HG1 THR 15 -1.970 10.835 1.970
33 1HG2 THR 15 1HG2 THR 15 -3.225 8.450 2.292
34 2HG2 THR 15 2HG2 THR 15 -3.256 7.583 0.756
35 3HG2 THR 15 3HG2 THR 15 -4.566 8.687 1.172
36 HA PRO 16 HA PRO 16 -0.481 7.214 -3.253
37 1HB PRO 16 2HB PRO 16 2.142 6.164 -2.686
38 2HB PRO 16 1HB PRO 16 1.692 7.411 -3.850
39 1HG PRO 16 2HG PRO 16 3.186 7.885 -1.603
40 2HG PRO 16 1HG PRO 16 2.191 9.111 -2.409
41 1HD PRO 16 2HD PRO 16 1.579 7.472 0.025
42 2HD PRO 16 1HD PRO 16 1.258 9.193 -0.285
43 H ILE 17 H ILE 17 -1.404 5.302 -3.545
44 HA ILE 17 HA ILE 17 -1.738 3.398 -1.511
45 HB ILE 17 HB ILE 17 -2.622 1.908 -3.297
46 1HG1 ILE 17 2HG1 ILE 17 -1.934 4.215 -5.136
47 2HG1 ILE 17 1HG1 ILE 17 -1.098 2.666 -5.104
48 1HG2 ILE 17 1HG2 ILE 17 -3.580 4.540 -2.558
49 2HG2 ILE 17 2HG2 ILE 17 -4.456 3.015 -2.692
50 3HG2 ILE 17 3HG2 ILE 17 -4.211 4.020 -4.120
51 1HD1 ILE 17 1HD1 ILE 17 -3.708 3.391 -6.256
52 2HD1 ILE 17 2HD1 ILE 17 -3.605 1.809 -5.483
53 3HD1 ILE 17 3HD1 ILE 17 -2.507 2.220 -6.800
54 H SER 18 H SER 18 -0.849 1.361 -1.195
55 HA SER 18 HA SER 18 1.263 0.375 -2.858
56 1HB SER 18 2HB SER 18 2.793 0.397 -0.660
57 2HB SER 18 1HB SER 18 2.815 1.711 -1.837
58 HG SER 18 HG SER 18 0.886 2.362 -0.276
59 H PHE 19 H PHE 19 2.463 -1.467 -1.307
60 HA PHE 19 HA PHE 19 0.309 -2.950 0.055
61 1HB PHE 19 2HB PHE 19 2.230 -4.128 -1.969
62 2HB PHE 19 1HB PHE 19 1.017 -5.015 -1.061
63 HD1 PHE 19 HD1 PHE 19 -1.103 -5.327 -1.939
64 HD2 PHE 19 HD2 PHE 19 1.403 -2.308 -3.585
65 HE1 PHE 19 HE1 PHE 19 -2.712 -4.993 -3.769
66 HE2 PHE 19 HE2 PHE 19 -0.206 -1.963 -5.412
67 HZ PHE 19 HZ PHE 19 -2.267 -3.306 -5.506
68 H TYR 20 H TYR 20 1.432 -5.095 0.871
69 HA TYR 20 HA TYR 20 4.129 -4.854 1.777
70 1HB TYR 20 2HB TYR 20 3.691 -4.795 4.182
71 2HB TYR 20 1HB TYR 20 3.106 -3.340 3.404
72 HD1 TYR 20 HD1 TYR 20 2.121 -6.458 5.081
73 HD2 TYR 20 HD2 TYR 20 0.746 -2.826 3.357
74 HE1 TYR 20 HE1 TYR 20 -0.079 -6.802 6.124
75 HE2 TYR 20 HE2 TYR 20 -1.455 -3.155 4.396
76 HH TYR 20 HH TYR 20 -2.809 -4.773 5.360
77 H GLY 21 HN GLY 21 4.719 -6.687 3.173
78 1HA GLY 21 2HA GLY 21 4.812 -8.952 3.540
79 2HA GLY 21 1HA GLY 21 3.058 -8.898 3.631
80 2H GLY 1 H GLY 1 2.820 -0.968 1.738
81 1HA GLY 1 2HA GLY 1 3.793 1.652 2.662
82 2HA GLY 1 1HA GLY 1 4.700 0.205 3.070
83 H GLY 2 H GLY 2 4.423 -1.189 0.646
84 1HA GLY 2 2HA GLY 2 5.219 0.425 -1.578
85 2HA GLY 2 1HA GLY 2 6.595 -0.342 -0.806
86 H ALA 3 H ALA 3 7.167 -2.023 -1.941
87 HA ALA 3 HA ALA 3 5.335 -3.524 -3.554
88 1HB ALA 3 1HB ALA 3 7.477 -5.085 -3.612
89 2HB ALA 3 2HB ALA 3 8.252 -3.632 -2.979
90 3HB ALA 3 3HB ALA 3 7.406 -3.578 -4.525
91 H GLY 4 H GLY 4 4.261 -5.368 -3.025
92 1HA GLY 4 2HA GLY 4 5.081 -7.227 -1.083
93 2HA GLY 4 1HA GLY 4 3.940 -6.112 -0.344
94 H HIS 5 H HIS 5 2.235 -7.497 -0.069
95 HA HIS 5 HA HIS 5 0.973 -8.431 -2.558
96 1HB HIS 5 2HB HIS 5 1.196 -10.036 -0.001
97 2HB HIS 5 1HB HIS 5 0.236 -10.496 -1.401
98 HD1 HIS 5 HD1 HIS 5 3.858 -9.934 -0.409
99 HD2 HIS 5 HD2 HIS 5 1.596 -11.911 -3.297
100 HE1 HIS 5 HE1 HIS 5 5.499 -11.284 -1.758
101 HE2 HIS 5 HE2 HIS 5 4.127 -12.372 -3.568
102 H VAL 6 H VAL 6 0.513 -7.760 0.902
103 HA VAL 6 HA VAL 6 -2.355 -7.482 0.532
104 HB VAL 6 HB VAL 6 -0.747 -6.860 3.014
105 1HG1 VAL 6 1HG1 VAL 6 -3.599 -6.908 2.342
106 2HG1 VAL 6 2HG1 VAL 6 -2.749 -6.070 3.641
107 3HG1 VAL 6 3HG1 VAL 6 -3.180 -7.771 3.824
108 1HG2 VAL 6 1HG2 VAL 6 -1.418 -9.427 1.795
109 2HG2 VAL 6 2HG2 VAL 6 -1.945 -9.281 3.472
110 3HG2 VAL 6 3HG2 VAL 6 -0.248 -9.041 3.057
111 HA PRO 7 HA PRO 7 -1.951 -3.183 -0.548
112 1HB PRO 7 2HB PRO 7 -4.832 -3.042 0.046
113 2HB PRO 7 1HB PRO 7 -3.981 -2.735 -1.470
114 1HG PRO 7 2HG PRO 7 -5.500 -4.922 -1.121
115 2HG PRO 7 1HG PRO 7 -4.018 -4.956 -2.095
116 1HD PRO 7 2HD PRO 7 -4.469 -5.913 0.706
117 2HD PRO 7 1HD PRO 7 -3.527 -6.660 -0.603
118 H GLU 8 H GLU 8 -1.608 -1.351 0.545
119 HA GLU 8 HA GLU 8 -2.002 -1.332 3.406
120 1HB GLU 8 2HB GLU 8 -0.669 0.588 1.495
121 2HB GLU 8 1HB GLU 8 -0.857 0.940 3.208
122 1HG GLU 8 2HG GLU 8 0.379 -1.146 3.713
123 2HG GLU 8 1HG GLU 8 0.669 -1.343 1.987
124 H TYR 9 H TYR 9 -4.408 -1.469 2.581
125 HA TYR 9 HA TYR 9 -5.604 1.025 3.343
126 1HB TYR 9 2HB TYR 9 -5.278 1.429 0.944
127 2HB TYR 9 1HB TYR 9 -6.154 -0.045 0.562
128 HD1 TYR 9 HD1 TYR 9 -8.302 0.296 -0.199
129 HD2 TYR 9 HD2 TYR 9 -6.704 3.005 2.668
130 HE1 TYR 9 HE1 TYR 9 -10.405 1.571 -0.238
131 HE2 TYR 9 HE2 TYR 9 -8.803 4.284 2.638
132 HH TYR 9 HH TYR 9 -11.464 3.418 1.912
133 H PHE 10 HN PHE 10 -7.871 0.825 3.702
134 HA PHE 10 HA PHE 10 -9.187 -1.709 3.482
135 1HB PHE 10 2HB PHE 10 -7.721 -2.017 5.506
136 2HB PHE 10 1HB PHE 10 -8.560 -0.667 6.260
137 HD1 PHE 10 HD1 PHE 10 -9.740 -3.629 4.317
138 HD2 PHE 10 HD2 PHE 10 -9.894 -1.433 7.959
139 HE1 PHE 10 HE1 PHE 10 -11.450 -5.176 5.173
140 HE2 PHE 10 HE2 PHE 10 -11.604 -2.977 8.822
141 HZ PHE 10 HZ PHE 10 -12.385 -4.851 7.428
Start of MODEL 18
1 1H VAL 11 1HT VAL 11 3.998 11.450 -2.093
2 2H VAL 11 2HT VAL 11 2.475 10.916 -1.585
3 3H VAL 11 3HT VAL 11 3.161 12.298 -0.891
4 HA VAL 11 HA VAL 11 2.325 13.605 -2.442
5 HB VAL 11 HB VAL 11 3.234 11.610 -4.534
6 1HG1 VAL 11 1HG1 VAL 11 1.567 13.671 -4.934
7 2HG1 VAL 11 2HG1 VAL 11 2.739 13.130 -6.136
8 3HG1 VAL 11 3HG1 VAL 11 3.111 14.507 -5.099
9 1HG2 VAL 11 1HG2 VAL 11 5.272 12.864 -4.731
10 2HG2 VAL 11 2HG2 VAL 11 5.074 12.377 -3.047
11 3HG2 VAL 11 3HG2 VAL 11 4.719 14.035 -3.533
12 H GLY 12 H GLY 12 0.237 13.886 -3.135
13 1HA GLY 12 2HA GLY 12 -1.904 13.327 -3.826
14 2HA GLY 12 1HA GLY 12 -1.324 11.705 -4.191
15 H ILE 13 H ILE 13 -1.104 10.198 -2.459
16 HA ILE 13 HA ILE 13 -3.132 10.567 -0.423
17 HB ILE 13 HB ILE 13 -2.723 8.241 0.214
18 1HG1 ILE 13 2HG1 ILE 13 -0.240 8.299 -0.408
19 2HG1 ILE 13 1HG1 ILE 13 -1.118 6.822 -0.776
20 1HG2 ILE 13 1HG2 ILE 13 -2.962 7.538 -2.497
21 2HG2 ILE 13 2HG2 ILE 13 -3.676 9.140 -2.319
22 3HG2 ILE 13 3HG2 ILE 13 -4.249 7.804 -1.320
23 1HD1 ILE 13 1HD1 ILE 13 0.311 7.305 -2.607
24 2HD1 ILE 13 2HD1 ILE 13 -0.260 8.971 -2.694
25 3HD1 ILE 13 3HD1 ILE 13 -1.340 7.645 -3.125
26 H GLY 14 H GLY 14 -2.747 10.735 1.756
27 1HA GLY 14 2HA GLY 14 -0.205 11.811 2.504
28 2HA GLY 14 1HA GLY 14 -1.577 11.564 3.568
29 H THR 15 H THR 15 -1.974 8.904 3.356
30 HA THR 15 HA THR 15 0.167 7.868 4.959
31 HB THR 15 HB THR 15 -1.465 5.756 4.676
32 HG1 THR 15 HG1 THR 15 -3.554 6.406 4.288
33 1HG2 THR 15 1HG2 THR 15 -1.004 6.698 6.814
34 2HG2 THR 15 2HG2 THR 15 -2.758 6.702 6.632
35 3HG2 THR 15 3HG2 THR 15 -1.845 8.194 6.409
36 HA PRO 16 HA PRO 16 2.386 5.938 1.656
37 1HB PRO 16 2HB PRO 16 3.783 4.111 3.121
38 2HB PRO 16 1HB PRO 16 4.191 5.828 3.058
39 1HG PRO 16 2HG PRO 16 2.683 4.313 5.149
40 2HG PRO 16 1HG PRO 16 3.907 5.581 5.347
41 1HD PRO 16 2HD PRO 16 1.254 6.064 5.585
42 2HD PRO 16 1HD PRO 16 2.394 7.275 4.967
43 H ILE 17 H ILE 17 0.906 4.862 0.423
44 HA ILE 17 HA ILE 17 -0.419 2.484 1.282
45 HB ILE 17 HB ILE 17 -1.522 3.842 -0.338
46 1HG1 ILE 17 2HG1 ILE 17 -0.588 1.315 -1.706
47 2HG1 ILE 17 1HG1 ILE 17 -1.877 1.405 -0.511
48 1HG2 ILE 17 1HG2 ILE 17 0.442 3.294 -2.498
49 2HG2 ILE 17 2HG2 ILE 17 0.811 4.558 -1.324
50 3HG2 ILE 17 3HG2 ILE 17 -0.661 4.655 -2.291
51 1HD1 ILE 17 1HD1 ILE 17 -1.879 2.721 -3.217
52 2HD1 ILE 17 2HD1 ILE 17 -3.170 2.826 -2.020
53 3HD1 ILE 17 3HD1 ILE 17 -2.774 1.273 -2.757
54 H SER 18 H SER 18 -0.073 0.386 0.624
55 HA SER 18 HA SER 18 2.248 -0.290 -0.959
56 1HB SER 18 2HB SER 18 2.969 -1.873 1.014
57 2HB SER 18 1HB SER 18 3.488 -0.189 0.994
58 HG SER 18 HG SER 18 1.955 0.309 2.498
59 H PHE 19 H PHE 19 2.476 -2.958 -0.445
60 HA PHE 19 HA PHE 19 -0.241 -4.067 -0.677
61 1HB PHE 19 2HB PHE 19 2.024 -4.677 -2.595
62 2HB PHE 19 1HB PHE 19 0.437 -5.431 -2.606
63 HD1 PHE 19 HD1 PHE 19 -1.322 -4.490 -3.810
64 HD2 PHE 19 HD2 PHE 19 2.185 -2.192 -3.086
65 HE1 PHE 19 HE1 PHE 19 -2.120 -2.781 -5.388
66 HE2 PHE 19 HE2 PHE 19 1.389 -0.474 -4.656
67 HZ PHE 19 HZ PHE 19 -0.766 -0.768 -5.811
68 H TYR 20 H TYR 20 -0.098 -6.521 -0.786
69 HA TYR 20 HA TYR 20 2.173 -7.742 0.499
70 1HB TYR 20 2HB TYR 20 0.991 -8.630 2.423
71 2HB TYR 20 1HB TYR 20 0.950 -6.880 2.455
72 HD1 TYR 20 HD1 TYR 20 -1.053 -9.924 1.916
73 HD2 TYR 20 HD2 TYR 20 -1.134 -5.692 2.306
74 HE1 TYR 20 HE1 TYR 20 -3.497 -10.000 2.173
75 HE2 TYR 20 HE2 TYR 20 -3.576 -5.755 2.566
76 HH TYR 20 HH TYR 20 -5.401 -7.023 2.496
77 H GLY 21 HN GLY 21 1.839 -10.084 0.751
78 1HA GLY 21 2HA GLY 21 1.327 -12.124 -0.174
79 2HA GLY 21 1HA GLY 21 -0.299 -11.491 -0.386
80 2H GLY 1 H GLY 1 1.790 -2.178 3.074
81 1HA GLY 1 2HA GLY 1 2.925 -2.848 5.202
82 2HA GLY 1 1HA GLY 1 2.750 -4.502 4.631
83 H GLY 2 H GLY 2 3.365 -4.041 1.908
84 1HA GLY 2 2HA GLY 2 5.813 -2.670 1.540
85 2HA GLY 2 1HA GLY 2 6.135 -4.352 1.916
86 H ALA 3 H ALA 3 6.619 -5.343 0.132
87 HA ALA 3 HA ALA 3 5.290 -4.661 -2.374
88 1HB ALA 3 1HB ALA 3 7.030 -6.701 -2.960
89 2HB ALA 3 2HB ALA 3 7.842 -5.878 -1.628
90 3HB ALA 3 3HB ALA 3 7.397 -4.980 -3.080
91 H GLY 4 H GLY 4 3.786 -5.960 -3.328
92 1HA GLY 4 2HA GLY 4 3.549 -8.734 -2.881
93 2HA GLY 4 1HA GLY 4 2.425 -7.884 -1.831
94 H HIS 5 H HIS 5 0.515 -8.437 -2.764
95 HA HIS 5 HA HIS 5 0.110 -7.467 -5.515
96 1HB HIS 5 2HB HIS 5 -0.995 -10.031 -4.350
97 2HB HIS 5 1HB HIS 5 -1.443 -9.362 -5.913
98 HD1 HIS 5 HD1 HIS 5 1.598 -10.765 -4.113
99 HD2 HIS 5 HD2 HIS 5 0.165 -10.125 -7.975
100 HE1 HIS 5 HE1 HIS 5 3.278 -11.834 -5.653
101 HE2 HIS 5 HE2 HIS 5 2.331 -11.540 -7.969
102 H VAL 6 H VAL 6 -1.449 -8.357 -2.449
103 HA VAL 6 HA VAL 6 -3.854 -6.896 -3.156
104 HB VAL 6 HB VAL 6 -3.143 -8.108 -0.479
105 1HG1 VAL 6 1HG1 VAL 6 -5.929 -7.907 -1.461
106 2HG1 VAL 6 2HG1 VAL 6 -5.138 -6.408 -0.974
107 3HG1 VAL 6 3HG1 VAL 6 -5.286 -7.740 0.172
108 1HG2 VAL 6 1HG2 VAL 6 -3.653 -9.428 -2.954
109 2HG2 VAL 6 2HG2 VAL 6 -5.007 -9.720 -1.863
110 3HG2 VAL 6 3HG2 VAL 6 -3.367 -10.131 -1.362
111 HA PRO 7 HA PRO 7 -2.185 -3.069 -1.611
112 1HB PRO 7 2HB PRO 7 -4.966 -2.119 -1.662
113 2HB PRO 7 1HB PRO 7 -3.567 -1.544 -2.572
114 1HG PRO 7 2HG PRO 7 -5.566 -2.907 -3.748
115 2HG PRO 7 1HG PRO 7 -3.880 -3.064 -4.275
116 1HD PRO 7 2HD PRO 7 -5.513 -4.904 -2.568
117 2HD PRO 7 1HD PRO 7 -4.354 -5.294 -3.857
118 H GLU 8 H GLU 8 -1.741 -2.531 0.400
119 HA GLU 8 HA GLU 8 -3.751 -3.029 2.495
120 1HB GLU 8 2HB GLU 8 -1.607 -2.909 4.005
121 2HB GLU 8 1HB GLU 8 -2.015 -4.396 3.163
122 1HG GLU 8 2HG GLU 8 -0.384 -3.994 1.491
123 2HG GLU 8 1HG GLU 8 -0.099 -2.359 2.071
124 H TYR 9 H TYR 9 -4.376 -0.842 1.455
125 HA TYR 9 HA TYR 9 -2.816 1.413 2.320
126 1HB TYR 9 2HB TYR 9 -4.172 1.457 0.239
127 2HB TYR 9 1HB TYR 9 -5.633 1.400 1.212
128 HD1 TYR 9 HD1 TYR 9 -6.705 3.448 1.308
129 HD2 TYR 9 HD2 TYR 9 -2.451 3.365 1.288
130 HE1 TYR 9 HE1 TYR 9 -6.659 5.902 1.488
131 HE2 TYR 9 HE2 TYR 9 -2.394 5.813 1.467
132 HH TYR 9 HH TYR 9 -4.134 7.608 2.469
133 H PHE 10 HN PHE 10 -3.620 3.058 3.700
134 HA PHE 10 HA PHE 10 -5.773 2.553 5.516
135 1HB PHE 10 2HB PHE 10 -4.188 2.697 7.542
136 2HB PHE 10 1HB PHE 10 -4.293 1.154 6.706
137 HD1 PHE 10 HD1 PHE 10 -2.314 0.047 6.487
138 HD2 PHE 10 HD2 PHE 10 -2.281 4.301 6.370
139 HE1 PHE 10 HE1 PHE 10 0.130 0.018 6.212
140 HE2 PHE 10 HE2 PHE 10 0.162 4.278 6.091
141 HZ PHE 10 HZ PHE 10 1.371 2.135 6.011
Start of MODEL 19
1 1H VAL 11 1HT VAL 11 6.253 13.271 -6.466
2 2H VAL 11 2HT VAL 11 7.228 13.415 -5.090
3 3H VAL 11 3HT VAL 11 7.041 14.732 -6.135
4 HA VAL 11 HA VAL 11 5.598 14.229 -3.879
5 HB VAL 11 HB VAL 11 4.165 16.108 -4.638
6 1HG1 VAL 11 1HG1 VAL 11 6.161 17.696 -5.147
7 2HG1 VAL 11 2HG1 VAL 11 7.142 16.261 -4.847
8 3HG1 VAL 11 3HG1 VAL 11 6.072 16.877 -3.588
9 1HG2 VAL 11 1HG2 VAL 11 5.674 15.778 -7.229
10 2HG2 VAL 11 2HG2 VAL 11 4.699 17.188 -6.815
11 3HG2 VAL 11 3HG2 VAL 11 3.937 15.606 -6.978
12 H GLY 12 H GLY 12 3.348 13.839 -3.499
13 1HA GLY 12 2HA GLY 12 1.464 13.083 -5.391
14 2HA GLY 12 1HA GLY 12 2.337 11.623 -4.941
15 H ILE 13 H ILE 13 0.581 10.669 -3.918
16 HA ILE 13 HA ILE 13 -0.858 12.038 -1.851
17 HB ILE 13 HB ILE 13 -1.821 9.741 -1.390
18 1HG1 ILE 13 2HG1 ILE 13 -0.256 9.039 -3.888
19 2HG1 ILE 13 1HG1 ILE 13 0.075 8.426 -2.271
20 1HG2 ILE 13 1HG2 ILE 13 -3.036 9.700 -3.640
21 2HG2 ILE 13 2HG2 ILE 13 -2.028 11.084 -4.064
22 3HG2 ILE 13 3HG2 ILE 13 -3.126 11.182 -2.687
23 1HD1 ILE 13 1HD1 ILE 13 -1.175 6.888 -3.823
24 2HD1 ILE 13 2HD1 ILE 13 -2.547 7.986 -3.664
25 3HD1 ILE 13 3HD1 ILE 13 -1.910 7.159 -2.242
26 H GLY 14 H GLY 14 -0.360 12.180 0.235
27 1HA GLY 14 2HA GLY 14 2.066 10.913 1.201
28 2HA GLY 14 1HA GLY 14 1.105 12.114 2.044
29 H THR 15 H THR 15 0.005 9.090 0.672
30 HA THR 15 HA THR 15 -1.201 8.357 3.197
31 HB THR 15 HB THR 15 -1.985 6.347 1.806
32 HG1 THR 15 HG1 THR 15 -0.274 6.835 0.166
33 1HG2 THR 15 1HG2 THR 15 -2.877 9.053 1.917
34 2HG2 THR 15 2HG2 THR 15 -3.835 7.587 1.707
35 3HG2 THR 15 3HG2 THR 15 -3.191 8.428 0.297
36 HA PRO 16 HA PRO 16 2.274 5.778 4.309
37 1HB PRO 16 2HB PRO 16 1.229 4.732 6.565
38 2HB PRO 16 1HB PRO 16 1.783 6.408 6.472
39 1HG PRO 16 2HG PRO 16 -0.999 5.319 6.290
40 2HG PRO 16 1HG PRO 16 -0.410 6.745 7.164
41 1HD PRO 16 2HD PRO 16 -1.648 6.879 4.737
42 2HD PRO 16 1HD PRO 16 -0.445 8.063 5.285
43 H ILE 17 H ILE 17 0.966 4.696 2.216
44 HA ILE 17 HA ILE 17 -0.335 2.227 2.777
45 HB ILE 17 HB ILE 17 1.041 3.015 0.210
46 1HG1 ILE 17 2HG1 ILE 17 -0.553 4.752 0.831
47 2HG1 ILE 17 1HG1 ILE 17 -1.179 3.821 -0.525
48 1HG2 ILE 17 1HG2 ILE 17 0.115 1.223 -0.775
49 2HG2 ILE 17 2HG2 ILE 17 -1.387 1.372 0.137
50 3HG2 ILE 17 3HG2 ILE 17 0.017 0.595 0.870
51 1HD1 ILE 17 1HD1 ILE 17 -2.503 2.497 1.173
52 2HD1 ILE 17 2HD1 ILE 17 -2.993 4.172 0.923
53 3HD1 ILE 17 3HD1 ILE 17 -2.046 3.732 2.345
54 H SER 18 H SER 18 0.447 0.152 2.614
55 HA SER 18 HA SER 18 3.299 -0.288 2.280
56 1HB SER 18 2HB SER 18 3.083 -1.772 4.452
57 2HB SER 18 1HB SER 18 3.427 -0.046 4.576
58 HG SER 18 HG SER 18 1.425 0.333 5.262
59 H PHE 19 H PHE 19 3.312 -2.970 3.159
60 HA PHE 19 HA PHE 19 1.281 -4.228 1.428
61 1HB PHE 19 2HB PHE 19 4.225 -4.932 1.441
62 2HB PHE 19 1HB PHE 19 2.978 -5.698 0.469
63 HD1 PHE 19 HD1 PHE 19 4.750 -2.480 1.010
64 HD2 PHE 19 HD2 PHE 19 2.442 -4.876 -1.643
65 HE1 PHE 19 HE1 PHE 19 5.191 -0.884 -0.808
66 HE2 PHE 19 HE2 PHE 19 2.878 -3.283 -3.465
67 HZ PHE 19 HZ PHE 19 4.255 -1.284 -3.050
68 H TYR 20 H TYR 20 1.581 -6.704 1.609
69 HA TYR 20 HA TYR 20 2.415 -7.721 4.153
70 1HB TYR 20 2HB TYR 20 0.193 -8.632 4.802
71 2HB TYR 20 1HB TYR 20 0.285 -6.887 4.909
72 HD1 TYR 20 HD1 TYR 20 -1.576 -5.738 4.204
73 HD2 TYR 20 HD2 TYR 20 -0.702 -9.471 2.368
74 HE1 TYR 20 HE1 TYR 20 -3.627 -5.552 2.865
75 HE2 TYR 20 HE2 TYR 20 -2.748 -9.292 1.019
76 HH TYR 20 HH TYR 20 -4.415 -6.508 0.570
77 H GLY 21 HN GLY 21 2.045 -10.066 4.284
78 1HA GLY 21 2HA GLY 21 2.282 -12.166 3.384
79 2HA GLY 21 1HA GLY 21 1.149 -11.638 2.149
80 2H GLY 1 H GLY 1 0.920 -2.363 5.196
81 1HA GLY 1 2HA GLY 1 0.156 -2.280 7.722
82 2HA GLY 1 1HA GLY 1 0.329 -4.020 7.524
83 H GLY 2 H GLY 2 2.540 -3.842 5.676
84 1HA GLY 2 2HA GLY 2 4.699 -2.365 6.746
85 2HA GLY 2 1HA GLY 2 4.684 -3.971 7.452
86 H ALA 3 H ALA 3 6.239 -5.046 6.505
87 HA ALA 3 HA ALA 3 6.816 -4.722 3.682
88 1HB ALA 3 1HB ALA 3 8.754 -6.005 4.056
89 2HB ALA 3 2HB ALA 3 8.099 -6.719 5.529
90 3HB ALA 3 3HB ALA 3 8.575 -5.021 5.508
91 H GLY 4 H GLY 4 6.239 -6.138 2.096
92 1HA GLY 4 2HA GLY 4 5.586 -8.843 2.496
93 2HA GLY 4 1HA GLY 4 4.103 -7.900 2.499
94 H HIS 5 H HIS 5 3.247 -8.624 0.593
95 HA HIS 5 HA HIS 5 4.748 -7.850 -1.819
96 1HB HIS 5 2HB HIS 5 3.118 -10.374 -1.463
97 2HB HIS 5 1HB HIS 5 3.776 -9.817 -2.996
98 HD1 HIS 5 HD1 HIS 5 4.970 -10.969 0.428
99 HD2 HIS 5 HD2 HIS 5 6.316 -10.658 -3.505
100 HE1 HIS 5 HE1 HIS 5 7.239 -12.056 0.393
101 HE2 HIS 5 HE2 HIS 5 7.983 -11.957 -2.012
102 H VAL 6 H VAL 6 1.548 -8.591 -0.460
103 HA VAL 6 HA VAL 6 0.261 -7.154 -2.646
104 HB VAL 6 HB VAL 6 -1.034 -8.424 -0.227
105 1HG1 VAL 6 1HG1 VAL 6 -2.886 -7.471 -0.999
106 2HG1 VAL 6 2HG1 VAL 6 -2.744 -8.476 -2.441
107 3HG1 VAL 6 3HG1 VAL 6 -2.039 -6.859 -2.420
108 1HG2 VAL 6 1HG2 VAL 6 -0.731 -9.630 -2.972
109 2HG2 VAL 6 2HG2 VAL 6 -1.425 -10.385 -1.537
110 3HG2 VAL 6 3HG2 VAL 6 0.301 -10.030 -1.599
111 HA PRO 7 HA PRO 7 0.425 -3.338 -0.349
112 1HB PRO 7 2HB PRO 7 -1.325 -1.944 -1.923
113 2HB PRO 7 1HB PRO 7 0.371 -2.214 -2.337
114 1HG PRO 7 2HG PRO 7 -2.066 -3.672 -3.278
115 2HG PRO 7 1HG PRO 7 -0.642 -3.156 -4.201
116 1HD PRO 7 2HD PRO 7 -0.972 -5.702 -3.379
117 2HD PRO 7 1HD PRO 7 0.630 -4.943 -3.478
118 H GLU 8 H GLU 8 -0.696 -2.499 1.308
119 HA GLU 8 HA GLU 8 -3.268 -3.666 1.963
120 1HB GLU 8 2HB GLU 8 -1.962 -1.520 3.602
121 2HB GLU 8 1HB GLU 8 -2.948 -2.876 4.134
122 1HG GLU 8 2HG GLU 8 -1.003 -4.330 3.288
123 2HG GLU 8 1HG GLU 8 -0.075 -2.836 3.332
124 H TYR 9 H TYR 9 -3.771 -2.399 -0.204
125 HA TYR 9 HA TYR 9 -5.573 -0.302 0.564
126 1HB TYR 9 2HB TYR 9 -3.498 0.986 0.310
127 2HB TYR 9 1HB TYR 9 -3.296 0.367 -1.321
128 HD1 TYR 9 HD1 TYR 9 -3.812 1.883 -2.974
129 HD2 TYR 9 HD2 TYR 9 -6.017 2.012 0.662
130 HE1 TYR 9 HE1 TYR 9 -5.122 3.775 -3.842
131 HE2 TYR 9 HE2 TYR 9 -7.334 3.902 -0.197
132 HH TYR 9 HH TYR 9 -7.864 4.668 -2.937
133 H PHE 10 HN PHE 10 -6.967 0.325 -1.168
134 HA PHE 10 HA PHE 10 -6.888 -1.029 -3.691
135 1HB PHE 10 2HB PHE 10 -7.784 -2.802 -2.150
136 2HB PHE 10 1HB PHE 10 -9.122 -1.728 -1.761
137 HD1 PHE 10 HD1 PHE 10 -7.472 -2.688 -4.972
138 HD2 PHE 10 HD2 PHE 10 -11.060 -2.525 -2.688
139 HE1 PHE 10 HE1 PHE 10 -8.730 -3.568 -6.894
140 HE2 PHE 10 HE2 PHE 10 -12.324 -3.406 -4.606
141 HZ PHE 10 HZ PHE 10 -11.160 -3.928 -6.712
Start of MODEL 20
1 1H VAL 11 1HT VAL 11 2.787 5.606 0.941
2 2H VAL 11 2HT VAL 11 2.033 4.164 0.475
3 3H VAL 11 3HT VAL 11 3.577 4.540 -0.107
4 HA VAL 11 HA VAL 11 2.830 3.215 2.276
5 HB VAL 11 HB VAL 11 5.328 2.822 2.373
6 1HG1 VAL 11 1HG1 VAL 11 3.945 1.169 1.369
7 2HG1 VAL 11 2HG1 VAL 11 5.317 1.413 0.288
8 3HG1 VAL 11 3HG1 VAL 11 3.753 2.130 -0.097
9 1HG2 VAL 11 1HG2 VAL 11 6.694 4.104 1.173
10 2HG2 VAL 11 2HG2 VAL 11 5.311 4.954 0.483
11 3HG2 VAL 11 3HG2 VAL 11 5.942 3.508 -0.307
12 H GLY 12 H GLY 12 2.101 5.724 2.870
13 1HA GLY 12 2HA GLY 12 2.242 7.127 4.700
14 2HA GLY 12 1HA GLY 12 3.733 6.325 5.163
15 H ILE 13 H ILE 13 5.545 6.764 3.459
16 HA ILE 13 HA ILE 13 5.944 9.617 3.455
17 HB ILE 13 HB ILE 13 7.708 7.432 2.331
18 1HG1 ILE 13 2HG1 ILE 13 7.355 7.154 4.737
19 2HG1 ILE 13 1HG1 ILE 13 9.002 7.683 4.412
20 1HG2 ILE 13 1HG2 ILE 13 8.438 10.266 3.051
21 2HG2 ILE 13 2HG2 ILE 13 8.113 9.705 1.410
22 3HG2 ILE 13 3HG2 ILE 13 9.480 9.049 2.312
23 1HD1 ILE 13 1HD1 ILE 13 7.226 8.789 6.219
24 2HD1 ILE 13 2HD1 ILE 13 7.238 9.925 4.870
25 3HD1 ILE 13 3HD1 ILE 13 8.748 9.490 5.671
26 H GLY 14 H GLY 14 5.339 10.924 1.878
27 1HA GLY 14 2HA GLY 14 4.977 11.753 -0.240
28 2HA GLY 14 1HA GLY 14 5.686 10.291 -0.895
29 H THR 15 H THR 15 4.205 8.316 -0.417
30 HA THR 15 HA THR 15 1.570 9.005 -1.494
31 HB THR 15 HB THR 15 1.490 6.449 -1.883
32 HG1 THR 15 HG1 THR 15 4.290 6.559 -1.944
33 1HG2 THR 15 1HG2 THR 15 2.428 8.581 -3.416
34 2HG2 THR 15 2HG2 THR 15 1.937 6.991 -4.002
35 3HG2 THR 15 3HG2 THR 15 3.631 7.309 -3.626
36 HA PRO 16 HA PRO 16 -0.044 8.267 2.611
37 1HB PRO 16 2HB PRO 16 -2.693 8.296 1.857
38 2HB PRO 16 1HB PRO 16 -1.737 9.739 2.207
39 1HG PRO 16 2HG PRO 16 -2.434 8.516 -0.429
40 2HG PRO 16 1HG PRO 16 -2.359 10.227 0.031
41 1HD PRO 16 2HD PRO 16 -0.398 9.039 -1.383
42 2HD PRO 16 1HD PRO 16 -0.061 10.318 -0.198
43 H ILE 17 H ILE 17 -1.593 6.602 -0.134
44 HA ILE 17 HA ILE 17 -2.508 4.410 1.391
45 HB ILE 17 HB ILE 17 -3.596 4.927 -0.659
46 1HG1 ILE 17 2HG1 ILE 17 -2.154 2.301 -1.025
47 2HG1 ILE 17 1HG1 ILE 17 -3.538 2.548 0.035
48 1HG2 ILE 17 1HG2 ILE 17 -0.874 4.820 -1.778
49 2HG2 ILE 17 2HG2 ILE 17 -2.237 5.854 -2.203
50 3HG2 ILE 17 3HG2 ILE 17 -2.163 4.200 -2.809
51 1HD1 ILE 17 1HD1 ILE 17 -5.006 2.533 -1.666
52 2HD1 ILE 17 2HD1 ILE 17 -3.720 1.642 -2.481
53 3HD1 ILE 17 3HD1 ILE 17 -3.910 3.373 -2.764
54 H SER 18 H SER 18 -1.752 2.394 1.657
55 HA SER 18 HA SER 18 1.125 2.038 1.259
56 1HB SER 18 2HB SER 18 0.555 0.025 2.873
57 2HB SER 18 1HB SER 18 0.704 1.668 3.496
58 HG SER 18 HG SER 18 -1.206 0.986 4.286
59 H PHE 19 H PHE 19 1.441 -0.654 1.307
60 HA PHE 19 HA PHE 19 -0.191 -1.757 -0.874
61 1HB PHE 19 2HB PHE 19 2.836 -1.652 -0.848
62 2HB PHE 19 1HB PHE 19 1.886 -2.617 -1.967
63 HD1 PHE 19 HD1 PHE 19 2.504 0.890 -0.893
64 HD2 PHE 19 HD2 PHE 19 1.161 -1.716 -3.976
65 HE1 PHE 19 HE1 PHE 19 2.407 2.791 -2.451
66 HE2 PHE 19 HE2 PHE 19 1.060 0.180 -5.540
67 HZ PHE 19 HZ PHE 19 1.684 2.437 -4.778
68 H TYR 20 H TYR 20 0.597 -4.096 -1.276
69 HA TYR 20 HA TYR 20 1.660 -5.528 0.961
70 1HB TYR 20 2HB TYR 20 -0.312 -6.886 1.454
71 2HB TYR 20 1HB TYR 20 -0.622 -5.198 1.798
72 HD1 TYR 20 HD1 TYR 20 -2.313 -3.987 0.597
73 HD2 TYR 20 HD2 TYR 20 -1.373 -7.985 -0.494
74 HE1 TYR 20 HE1 TYR 20 -4.356 -4.087 -0.763
75 HE2 TYR 20 HE2 TYR 20 -3.409 -8.095 -1.868
76 HH TYR 20 HH TYR 20 -5.798 -5.536 -1.814
77 H GLY 21 HN GLY 21 1.622 -7.881 0.540
78 1HA GLY 21 2HA GLY 21 2.144 -9.656 -0.820
79 2HA GLY 21 1HA GLY 21 0.937 -9.016 -1.925
80 2H GLY 1 H GLY 1 -0.244 -2.396 2.883
81 1HA GLY 1 2HA GLY 1 -1.017 -1.537 5.579
82 2HA GLY 1 1HA GLY 1 -0.284 -3.124 5.397
83 H GLY 2 H GLY 2 1.586 -2.458 3.375
84 1HA GLY 2 2HA GLY 2 3.196 -0.239 4.225
85 2HA GLY 2 1HA GLY 2 3.813 -1.775 4.805
86 H ALA 3 H ALA 3 5.448 -2.330 3.602
87 HA ALA 3 HA ALA 3 5.695 -1.583 0.844
88 1HB ALA 3 1HB ALA 3 7.854 -2.256 1.011
89 2HB ALA 3 2HB ALA 3 7.443 -3.711 1.917
90 3HB ALA 3 3HB ALA 3 7.518 -2.153 2.739
91 H GLY 4 H GLY 4 5.243 -2.800 -0.942
92 1HA GLY 4 2HA GLY 4 5.009 -5.600 -0.986
93 2HA GLY 4 1HA GLY 4 3.408 -4.906 -0.763
94 H HIS 5 H HIS 5 2.533 -5.401 -2.730
95 HA HIS 5 HA HIS 5 3.734 -4.002 -5.022
96 1HB HIS 5 2HB HIS 5 2.580 -6.799 -5.085
97 2HB HIS 5 1HB HIS 5 3.065 -5.878 -6.502
98 HD1 HIS 5 HD1 HIS 5 4.584 -7.411 -3.372
99 HD2 HIS 5 HD2 HIS 5 5.684 -6.161 -7.193
100 HE1 HIS 5 HE1 HIS 5 6.997 -8.075 -3.641
101 HE2 HIS 5 HE2 HIS 5 7.602 -7.421 -5.998
102 H VAL 6 H VAL 6 0.826 -5.536 -3.692
103 HA VAL 6 HA VAL 6 -0.852 -4.007 -5.526
104 HB VAL 6 HB VAL 6 -1.736 -5.920 -3.358
105 1HG1 VAL 6 1HG1 VAL 6 -3.832 -5.589 -4.053
106 2HG1 VAL 6 2HG1 VAL 6 -3.371 -5.656 -5.754
107 3HG1 VAL 6 3HG1 VAL 6 -3.208 -4.147 -4.855
108 1HG2 VAL 6 1HG2 VAL 6 -0.180 -6.669 -5.439
109 2HG2 VAL 6 2HG2 VAL 6 -1.783 -6.824 -6.158
110 3HG2 VAL 6 3HG2 VAL 6 -1.389 -7.708 -4.683
111 HA PRO 7 HA PRO 7 -1.222 -0.724 -2.541
112 1HB PRO 7 2HB PRO 7 -3.413 0.481 -3.686
113 2HB PRO 7 1HB PRO 7 -1.747 0.726 -4.216
114 1HG PRO 7 2HG PRO 7 -3.859 -1.050 -5.357
115 2HG PRO 7 1HG PRO 7 -2.650 -0.059 -6.195
116 1HD PRO 7 2HD PRO 7 -2.372 -2.725 -5.907
117 2HD PRO 7 1HD PRO 7 -0.979 -1.624 -5.899
118 H GLU 8 H GLU 8 -2.335 -0.394 -0.703
119 HA GLU 8 HA GLU 8 -4.401 -2.261 0.012
120 1HB GLU 8 2HB GLU 8 -2.913 -0.124 1.517
121 2HB GLU 8 1HB GLU 8 -4.305 -0.934 2.224
122 1HG GLU 8 2HG GLU 8 -3.158 -3.100 1.850
123 2HG GLU 8 1HG GLU 8 -1.738 -2.206 1.313
124 H TYR 9 H TYR 9 -5.624 -1.197 -1.840
125 HA TYR 9 HA TYR 9 -6.977 1.265 -1.241
126 1HB TYR 9 2HB TYR 9 -8.395 0.543 -3.276
127 2HB TYR 9 1HB TYR 9 -6.704 0.944 -3.535
128 HD1 TYR 9 HD1 TYR 9 -8.513 -2.175 -2.473
129 HD2 TYR 9 HD2 TYR 9 -5.771 -0.364 -5.175
130 HE1 TYR 9 HE1 TYR 9 -8.156 -4.350 -3.560
131 HE2 TYR 9 HE2 TYR 9 -5.408 -2.536 -6.268
132 HH TYR 9 HH TYR 9 -6.129 -5.392 -4.969
133 H PHE 10 HN PHE 10 -9.212 1.527 -0.880
134 HA PHE 10 HA PHE 10 -10.898 -0.706 -0.269
135 1HB PHE 10 2HB PHE 10 -9.469 -0.488 1.798
136 2HB PHE 10 1HB PHE 10 -10.102 1.140 2.001
137 HD1 PHE 10 HD1 PHE 10 -11.513 1.197 3.806
138 HD2 PHE 10 HD2 PHE 10 -11.712 -2.119 1.146
139 HE1 PHE 10 HE1 PHE 10 -13.416 0.295 5.079
140 HE2 PHE 10 HE2 PHE 10 -13.617 -3.025 2.412
141 HZ PHE 10 HZ PHE 10 -14.471 -1.818 4.381
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