Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
538158 | 2lqy RC | 18335 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 H HIS 1 -6.860 -12.388 -3.256
2 HA HIS 1 HA HIS 1 -7.066 -14.513 -5.101
3 HB2 HIS 1 1HB HIS 1 -6.741 -11.809 -6.341
4 HB3 HIS 1 2HB HIS 1 -5.855 -13.179 -7.039
5 HD1 HIS 1 1HD HIS 1 -9.535 -12.418 -6.134
6 HD2 HIS 1 2HD HIS 1 -7.165 -14.518 -8.783
7 HE1 HIS 1 1HE HIS 1 -11.121 -13.420 -7.866
8 HE2 HIS 1 2HE HIS 1 -9.618 -14.704 -9.481
9 H GLY 2 H GLY 2 -4.786 -11.707 -4.872
10 HA2 GLY 2 1HA GLY 2 -2.863 -12.938 -3.228
11 HA3 GLY 2 2HA GLY 2 -2.390 -13.172 -4.929
12 H LEU 3 H LEU 3 -1.931 -11.432 -6.240
13 HA LEU 3 HA LEU 3 -0.721 -9.190 -5.086
14 HB2 LEU 3 1HB LEU 3 -0.323 -8.387 -7.290
15 HB3 LEU 3 2HB LEU 3 -0.079 -10.139 -7.258
16 HG LEU 3 HG LEU 3 -2.752 -9.064 -8.112
17 HD11 LEU 3 1HD1 LEU 3 -1.913 -8.836 -10.432
18 HD12 LEU 3 2HD1 LEU 3 -1.131 -7.679 -9.329
19 HD13 LEU 3 3HD1 LEU 3 -0.257 -9.139 -9.854
20 HD21 LEU 3 3HD2 LEU 3 -1.051 -11.407 -9.056
21 HD22 LEU 3 1HD2 LEU 3 -2.401 -11.506 -7.899
22 HD23 LEU 3 2HD2 LEU 3 -2.708 -11.032 -9.586
23 H ALA 4 H ALA 4 -3.962 -9.439 -6.607
24 HA ALA 4 HA ALA 4 -4.779 -6.825 -6.564
25 HB1 ALA 4 1HB ALA 4 -6.024 -8.745 -7.509
26 HB2 ALA 4 2HB ALA 4 -6.413 -9.292 -5.860
27 HB3 ALA 4 3HB ALA 4 -7.048 -7.739 -6.456
28 H SER 5 H SER 5 -4.164 -8.868 -3.823
29 HA SER 5 HA SER 5 -5.443 -7.007 -1.919
30 HB2 SER 5 1HB SER 5 -6.002 -9.523 -1.924
31 HB3 SER 5 2HB SER 5 -4.350 -9.764 -1.305
32 HG SER 5 HG SER 5 -5.854 -9.519 0.457
33 H THR 6 H THR 6 -2.279 -8.483 -2.895
34 HA THR 6 HA THR 6 -0.614 -7.527 -0.972
35 HB THR 6 HB THR 6 -0.118 -7.534 -3.968
36 HG1 THR 6 1HG THR 6 0.641 -9.770 -3.402
37 HG21 THR 6 3HG2 THR 6 1.738 -6.515 -2.691
38 HG22 THR 6 1HG2 THR 6 2.206 -8.092 -3.372
39 HG23 THR 6 2HG2 THR 6 1.805 -7.953 -1.643
40 H LEU 7 H LEU 7 -2.293 -5.604 -3.449
41 HA LEU 7 HA LEU 7 -0.895 -3.152 -2.693
42 HB2 LEU 7 1HB LEU 7 -3.144 -3.762 -4.635
43 HB3 LEU 7 2HB LEU 7 -2.431 -2.155 -4.394
44 HG LEU 7 HG LEU 7 -0.382 -4.181 -4.861
45 HD11 LEU 7 1HD1 LEU 7 -0.942 -4.612 -7.235
46 HD12 LEU 7 2HD1 LEU 7 -2.496 -3.774 -7.014
47 HD13 LEU 7 3HD1 LEU 7 -2.170 -5.288 -6.138
48 HD21 LEU 7 3HD2 LEU 7 -1.204 -1.679 -6.390
49 HD22 LEU 7 1HD2 LEU 7 -0.047 -1.737 -5.039
50 HD23 LEU 7 2HD2 LEU 7 0.332 -2.559 -6.572
51 H THR 8 H THR 8 -3.263 -4.899 -1.146
52 HA THR 8 HA THR 8 -4.778 -2.570 -0.207
53 HB THR 8 HB THR 8 -5.144 -5.562 0.207
54 HG1 THR 8 1HG THR 8 -6.878 -5.177 -1.416
55 HG21 THR 8 3HG2 THR 8 -6.318 -4.250 1.944
56 HG22 THR 8 1HG2 THR 8 -7.465 -5.024 0.824
57 HG23 THR 8 2HG2 THR 8 -7.112 -3.286 0.675
58 H ARG 9 H ARG 9 -2.088 -4.562 0.664
59 HA ARG 9 HA ARG 9 -2.251 -3.755 3.492
60 HB2 ARG 9 2HB ARG 9 -1.917 -6.164 2.767
61 HB3 ARG 9 1HB ARG 9 -0.307 -5.677 2.188
62 HG2 ARG 9 1HG ARG 9 0.292 -4.892 4.435
63 HG3 ARG 9 2HG ARG 9 -1.336 -5.290 5.029
64 HD2 ARG 9 1HD ARG 9 -0.345 -7.633 3.757
65 HD3 ARG 9 2HD ARG 9 0.977 -7.008 4.772
66 HE ARG 9 HE ARG 9 -1.532 -8.136 5.634
67 HH11 ARG 9 2HH2 ARG 9 0.900 -5.814 6.702
68 HH12 ARG 9 1HH2 ARG 9 0.514 -6.022 8.378
69 HH21 ARG 9 2HH1 ARG 9 -1.992 -8.356 7.833
70 HH22 ARG 9 1HH1 ARG 9 -1.100 -7.435 8.994
71 H TRP 10 H TRP 10 0.425 -3.943 0.951
72 HA TRP 10 HA TRP 10 2.057 -2.084 2.107
73 HB2 TRP 10 2HB TRP 10 3.191 -2.961 0.430
74 HB3 TRP 10 1HB TRP 10 1.714 -3.381 -0.447
75 HD1 TRP 10 HD TRP 10 1.126 -2.029 -2.515
76 HE1 TRP 10 1HE TRP 10 2.064 0.016 -3.693
77 HE3 TRP 10 3HE TRP 10 4.579 -0.724 0.925
78 HZ2 TRP 10 2HZ TRP 10 4.066 1.947 -3.207
79 HZ3 TRP 10 3HZ TRP 10 5.774 1.444 0.695
80 HH2 TRP 10 HH TRP 10 5.569 2.740 -1.405
81 H ALA 11 H ALA 11 -0.931 -1.393 0.345
82 HA ALA 11 HA ALA 11 -0.536 1.436 0.125
83 HB1 ALA 11 1HB ALA 11 -2.977 1.455 -0.345
84 HB2 ALA 11 2HB ALA 11 -3.023 -0.288 0.012
85 HB3 ALA 11 3HB ALA 11 -2.060 0.315 -1.359
86 H HIS 12 H HIS 12 -0.887 -0.394 2.892
87 HA HIS 12 HA HIS 12 -2.238 1.721 4.430
88 HB2 HIS 12 2HB HIS 12 -3.264 -0.336 4.788
89 HB3 HIS 12 1HB HIS 12 -1.740 -1.227 4.685
90 HD1 HIS 12 1HD HIS 12 -3.825 0.646 7.238
91 HD2 HIS 12 2HD HIS 12 -0.336 -1.531 6.889
92 HE1 HIS 12 1HE HIS 12 -2.896 0.395 9.606
93 HE2 HIS 12 2HE HIS 12 -0.773 -1.006 9.357
94 H TYR 13 H TYR 13 0.872 0.693 3.494
95 HA TYR 13 HA TYR 13 2.232 1.349 6.005
96 HB2 TYR 13 1HB TYR 13 2.529 -0.549 3.996
97 HB3 TYR 13 2HB TYR 13 3.796 0.637 3.613
98 HD1 TYR 13 2HD TYR 13 2.306 -1.036 6.624
99 HD2 TYR 13 1HD TYR 13 5.859 0.377 4.665
100 HE1 TYR 13 2HE TYR 13 3.676 -2.204 8.302
101 HE2 TYR 13 1HE TYR 13 7.251 -0.789 6.348
102 HH TYR 13 HH TYR 13 5.709 -2.431 9.149
103 H ASN 14 H ASN 14 3.023 2.054 2.557
104 HA ASN 14 HA ASN 14 4.179 4.563 3.003
105 HB2 ASN 14 2HB ASN 14 4.432 3.125 0.964
106 HB3 ASN 14 1HB ASN 14 2.807 3.641 0.468
107 HD21 ASN 14 2HD2 ASN 14 2.540 5.673 -0.492
108 HD22 ASN 14 1HD2 ASN 14 3.888 6.748 -0.729
109 H ALA 15 H ALA 15 0.819 3.798 3.303
110 HA ALA 15 HA ALA 15 -0.502 6.067 2.393
111 HB1 ALA 15 1HB ALA 15 -1.548 4.048 3.365
112 HB2 ALA 15 2HB ALA 15 -2.127 5.539 4.146
113 HB3 ALA 15 3HB ALA 15 -0.930 4.511 4.970
114 H LEU 16 H LEU 16 1.722 5.735 5.104
115 HA LEU 16 HA LEU 16 1.268 8.519 5.971
116 HB2 LEU 16 1HB LEU 16 2.637 6.131 7.244
117 HB3 LEU 16 2HB LEU 16 2.689 7.772 7.924
118 HG LEU 16 HG LEU 16 -0.020 6.827 7.195
119 HD11 LEU 16 1HD1 LEU 16 -0.240 5.355 9.171
120 HD12 LEU 16 2HD1 LEU 16 0.928 4.705 7.996
121 HD13 LEU 16 3HD1 LEU 16 1.506 5.509 9.475
122 HD21 LEU 16 3HD2 LEU 16 1.169 8.011 9.737
123 HD22 LEU 16 1HD2 LEU 16 0.433 8.938 8.408
124 HD23 LEU 16 2HD2 LEU 16 -0.564 7.828 9.378
125 H ILE 17 H ILE 17 3.726 6.359 4.535
126 HA ILE 17 HA ILE 17 5.831 8.348 4.580
127 HB ILE 17 HB ILE 17 5.786 5.738 3.035
128 HG12 ILE 17 1HG1 ILE 17 6.830 6.010 5.861
129 HG13 ILE 17 2HG1 ILE 17 5.156 5.522 5.554
130 HG21 ILE 17 1HG2 ILE 17 7.653 7.331 2.612
131 HG22 ILE 17 2HG2 ILE 17 8.031 7.330 4.351
132 HG23 ILE 17 3HG2 ILE 17 8.220 5.839 3.399
133 HD11 ILE 17 3HD1 ILE 17 5.972 3.564 4.266
134 HD12 ILE 17 1HD1 ILE 17 6.596 3.561 5.932
135 HD13 ILE 17 2HD1 ILE 17 7.650 4.060 4.588
136 H ARG 18 H ARG 18 3.046 8.366 2.881
137 HA ARG 18 HA ARG 18 4.105 9.081 0.264
138 HB2 ARG 18 1HB ARG 18 1.982 7.746 0.639
139 HB3 ARG 18 2HB ARG 18 1.257 9.211 1.333
140 HG2 ARG 18 1HG ARG 18 1.772 10.401 -0.831
141 HG3 ARG 18 2HG ARG 18 2.295 8.843 -1.505
142 HD2 ARG 18 2HD ARG 18 0.142 8.018 -1.624
143 HD3 ARG 18 1HD ARG 18 -0.417 8.973 -0.227
144 HE ARG 18 HE ARG 18 0.376 10.479 -2.613
145 HH11 ARG 18 2HH2 ARG 18 -2.321 9.151 -0.804
146 HH12 ARG 18 1HH2 ARG 18 -3.495 10.191 -1.546
147 HH21 ARG 18 2HH1 ARG 18 -1.202 11.885 -3.522
148 HH22 ARG 18 1HH1 ARG 18 -2.856 11.712 -3.046
149 H ALA 19 H ALA 19 4.038 11.033 -0.616
150 HA ALA 19 HA ALA 19 3.422 13.372 1.111
151 HB1 ALA 19 1HB ALA 19 5.254 14.554 -0.071
152 HB2 ALA 19 2HB ALA 19 5.834 13.117 0.805
153 HB3 ALA 19 3HB ALA 19 5.626 13.059 -0.962
154 H PHE 20 H PHE 20 3.860 12.438 -2.347
155 HA PHE 20 HA PHE 20 1.679 14.298 -3.087
156 HB2 PHE 20 2HB PHE 20 3.887 14.884 -3.962
157 HB3 PHE 20 1HB PHE 20 4.076 13.256 -4.633
158 HD1 PHE 20 2HD PHE 20 1.511 16.038 -4.780
159 HD2 PHE 20 1HD PHE 20 3.749 13.033 -6.885
160 HE1 PHE 20 2HE PHE 20 0.436 16.723 -6.903
161 HE2 PHE 20 1HE PHE 20 2.673 13.720 -9.009
162 HZ PHE 20 HZ PHE 20 1.044 15.591 -9.026
Start of MODEL 2
1 H1 HIS 1 H HIS 1 -7.747 -14.334 -7.227
2 HA HIS 1 HA HIS 1 -8.008 -11.718 -6.176
3 HB2 HIS 1 1HB HIS 1 -10.046 -13.080 -5.162
4 HB3 HIS 1 2HB HIS 1 -8.807 -13.686 -4.046
5 HD1 HIS 1 1HD HIS 1 -7.776 -11.798 -2.379
6 HD2 HIS 1 2HD HIS 1 -10.778 -10.559 -4.935
7 HE1 HIS 1 1HE HIS 1 -8.647 -9.584 -1.450
8 HE2 HIS 1 2HE HIS 1 -10.447 -8.824 -3.091
9 H GLY 2 H GLY 2 -6.018 -11.148 -5.506
10 HA2 GLY 2 1HA GLY 2 -4.346 -12.636 -3.783
11 HA3 GLY 2 2HA GLY 2 -3.859 -12.944 -5.464
12 H LEU 3 H LEU 3 -3.103 -11.205 -6.780
13 HA LEU 3 HA LEU 3 -1.679 -9.170 -5.497
14 HB2 LEU 3 1HB LEU 3 -1.122 -8.315 -7.637
15 HB3 LEU 3 2HB LEU 3 -1.109 -10.084 -7.716
16 HG LEU 3 HG LEU 3 -3.612 -8.645 -8.523
17 HD11 LEU 3 1HD1 LEU 3 -2.709 -8.317 -10.805
18 HD12 LEU 3 2HD1 LEU 3 -1.105 -8.840 -10.237
19 HD13 LEU 3 3HD1 LEU 3 -1.829 -7.344 -9.601
20 HD21 LEU 3 3HD2 LEU 3 -3.744 -10.485 -10.152
21 HD22 LEU 3 1HD2 LEU 3 -3.520 -11.119 -8.503
22 HD23 LEU 3 2HD2 LEU 3 -2.146 -11.073 -9.634
23 H ALA 4 H ALA 4 -4.925 -8.970 -7.061
24 HA ALA 4 HA ALA 4 -5.412 -6.291 -6.833
25 HB1 ALA 4 1HB ALA 4 -6.897 -7.969 -7.874
26 HB2 ALA 4 2HB ALA 4 -7.351 -8.558 -6.258
27 HB3 ALA 4 3HB ALA 4 -7.775 -6.902 -6.753
28 H SER 5 H SER 5 -5.050 -8.556 -4.225
29 HA SER 5 HA SER 5 -6.143 -6.746 -2.176
30 HB2 SER 5 1HB SER 5 -6.552 -9.359 -2.374
31 HB3 SER 5 2HB SER 5 -4.952 -9.444 -1.595
32 HG SER 5 HG SER 5 -6.681 -9.333 0.004
33 H THR 6 H THR 6 -3.072 -8.014 -3.482
34 HA THR 6 HA THR 6 -1.376 -7.381 -1.325
35 HB THR 6 HB THR 6 -0.939 -8.736 -3.514
36 HG1 THR 6 1HG THR 6 1.382 -8.234 -3.103
37 HG21 THR 6 3HG2 THR 6 -0.419 -7.668 -5.410
38 HG22 THR 6 1HG2 THR 6 0.924 -6.861 -4.563
39 HG23 THR 6 2HG2 THR 6 -0.679 -6.090 -4.628
40 H LEU 7 H LEU 7 -2.919 -5.384 -3.735
41 HA LEU 7 HA LEU 7 -1.414 -2.973 -3.059
42 HB2 LEU 7 2HB LEU 7 -3.743 -3.551 -4.932
43 HB3 LEU 7 1HB LEU 7 -2.904 -1.993 -4.794
44 HG LEU 7 HG LEU 7 -1.116 -4.302 -5.243
45 HD11 LEU 7 1HD1 LEU 7 -1.695 -4.504 -7.641
46 HD12 LEU 7 2HD1 LEU 7 -3.039 -5.019 -6.595
47 HD13 LEU 7 3HD1 LEU 7 -3.089 -3.427 -7.390
48 HD21 LEU 7 3HD2 LEU 7 -0.102 -2.739 -6.856
49 HD22 LEU 7 1HD2 LEU 7 -0.363 -1.945 -5.285
50 HD23 LEU 7 2HD2 LEU 7 -1.469 -1.620 -6.642
51 H THR 8 H THR 8 -3.888 -4.647 -1.531
52 HA THR 8 HA THR 8 -5.265 -2.253 -0.533
53 HB THR 8 HB THR 8 -5.872 -5.207 -0.118
54 HG1 THR 8 1HG THR 8 -7.471 -4.793 -1.860
55 HG21 THR 8 3HG2 THR 8 -7.669 -2.757 0.096
56 HG22 THR 8 1HG2 THR 8 -8.175 -4.449 0.315
57 HG23 THR 8 2HG2 THR 8 -7.037 -3.704 1.464
58 H ARG 9 H ARG 9 -2.689 -4.464 0.307
59 HA ARG 9 HA ARG 9 -2.917 -3.679 3.132
60 HB2 ARG 9 2HB ARG 9 -2.626 -6.075 2.299
61 HB3 ARG 9 1HB ARG 9 -0.966 -5.616 1.884
62 HG2 ARG 9 1HG ARG 9 -2.032 -5.164 4.668
63 HG3 ARG 9 2HG ARG 9 -1.437 -6.759 4.178
64 HD2 ARG 9 1HD ARG 9 0.603 -5.056 3.347
65 HD3 ARG 9 2HD ARG 9 0.059 -4.330 4.883
66 HE ARG 9 HE ARG 9 0.111 -6.877 5.587
67 HH11 ARG 9 2HH2 ARG 9 2.602 -5.174 3.768
68 HH12 ARG 9 1HH2 ARG 9 3.865 -6.241 4.289
69 HH21 ARG 9 2HH1 ARG 9 1.792 -8.230 6.236
70 HH22 ARG 9 1HH1 ARG 9 3.403 -7.940 5.676
71 H TRP 10 H TRP 10 -0.314 -3.725 0.540
72 HA TRP 10 HA TRP 10 1.445 -2.053 1.917
73 HB2 TRP 10 1HB TRP 10 2.595 -2.868 0.223
74 HB3 TRP 10 2HB TRP 10 1.131 -3.240 -0.698
75 HD1 TRP 10 HD TRP 10 0.459 -1.633 -2.612
76 HE1 TRP 10 1HE TRP 10 1.533 0.380 -3.719
77 HE3 TRP 10 3HE TRP 10 4.202 -0.901 0.688
78 HZ2 TRP 10 2HZ TRP 10 3.757 2.063 -3.245
79 HZ3 TRP 10 3HZ TRP 10 5.605 1.143 0.516
80 HH2 TRP 10 HH TRP 10 5.430 2.579 -1.495
81 H ALA 11 H ALA 11 -1.482 -1.243 0.143
82 HA ALA 11 HA ALA 11 -1.055 1.592 0.007
83 HB1 ALA 11 1HB ALA 11 -3.520 1.613 -0.457
84 HB2 ALA 11 2HB ALA 11 -3.524 -0.150 -0.221
85 HB3 ALA 11 3HB ALA 11 -2.573 0.568 -1.543
86 H HIS 12 H HIS 12 -1.422 -0.328 2.751
87 HA HIS 12 HA HIS 12 -2.859 1.787 4.230
88 HB2 HIS 12 2HB HIS 12 -2.137 -1.089 4.898
89 HB3 HIS 12 1HB HIS 12 -2.959 0.028 5.994
90 HD1 HIS 12 1HD HIS 12 -4.639 -2.272 5.653
91 HD2 HIS 12 2HD HIS 12 -4.612 0.727 2.826
92 HE1 HIS 12 1HE HIS 12 -6.949 -2.290 4.573
93 HE2 HIS 12 2HE HIS 12 -6.904 -0.401 2.844
94 H TYR 13 H TYR 13 0.168 1.260 3.257
95 HA TYR 13 HA TYR 13 1.487 2.075 5.777
96 HB2 TYR 13 1HB TYR 13 2.230 0.290 3.505
97 HB3 TYR 13 2HB TYR 13 3.524 1.270 4.222
98 HD1 TYR 13 1HD TYR 13 0.545 -0.626 5.670
99 HD2 TYR 13 2HD TYR 13 4.774 0.139 5.681
100 HE1 TYR 13 1HE TYR 13 0.825 -2.286 7.452
101 HE2 TYR 13 2HE TYR 13 5.083 -1.602 7.400
102 HH TYR 13 HH TYR 13 4.065 -2.892 8.883
103 H ASN 14 H ASN 14 2.461 2.290 2.326
104 HA ASN 14 HA ASN 14 3.612 4.807 2.406
105 HB2 ASN 14 2HB ASN 14 3.936 3.209 0.597
106 HB3 ASN 14 1HB ASN 14 2.230 3.352 0.132
107 HD21 ASN 14 2HD2 ASN 14 2.252 4.301 -1.830
108 HD22 ASN 14 1HD2 ASN 14 2.963 5.871 -2.110
109 H ALA 15 H ALA 15 0.151 4.047 2.402
110 HA ALA 15 HA ALA 15 -0.934 6.390 1.294
111 HB1 ALA 15 1HB ALA 15 -2.634 5.836 3.333
112 HB2 ALA 15 2HB ALA 15 -2.599 4.925 1.805
113 HB3 ALA 15 3HB ALA 15 -1.752 4.293 3.237
114 H LEU 16 H LEU 16 0.332 5.740 4.592
115 HA LEU 16 HA LEU 16 0.110 8.617 5.229
116 HB2 LEU 16 2HB LEU 16 -0.744 6.330 6.623
117 HB3 LEU 16 1HB LEU 16 0.685 6.911 7.489
118 HG LEU 16 HG LEU 16 -1.383 7.815 8.413
119 HD11 LEU 16 1HD1 LEU 16 0.697 9.135 8.576
120 HD12 LEU 16 2HD1 LEU 16 -0.764 10.151 8.555
121 HD13 LEU 16 3HD1 LEU 16 0.240 10.007 7.093
122 HD21 LEU 16 3HD2 LEU 16 -1.795 9.241 5.770
123 HD22 LEU 16 1HD2 LEU 16 -2.733 7.842 6.346
124 HD23 LEU 16 2HD2 LEU 16 -2.799 9.384 7.234
125 H ILE 17 H ILE 17 2.375 5.934 4.856
126 HA ILE 17 HA ILE 17 4.645 7.434 5.881
127 HB ILE 17 HB ILE 17 4.463 4.794 4.412
128 HG12 ILE 17 1HG1 ILE 17 3.134 4.601 6.383
129 HG13 ILE 17 2HG1 ILE 17 4.611 3.650 6.550
130 HG21 ILE 17 1HG2 ILE 17 6.749 5.752 4.426
131 HG22 ILE 17 2HG2 ILE 17 6.618 4.206 5.296
132 HG23 ILE 17 3HG2 ILE 17 6.714 5.732 6.205
133 HD11 ILE 17 3HD1 ILE 17 4.039 6.320 7.898
134 HD12 ILE 17 1HD1 ILE 17 4.001 4.716 8.670
135 HD13 ILE 17 2HD1 ILE 17 5.539 5.378 8.069
136 H ARG 18 H ARG 18 2.828 7.992 3.204
137 HA ARG 18 HA ARG 18 4.652 8.188 1.097
138 HB2 ARG 18 1HB ARG 18 1.941 8.993 1.607
139 HB3 ARG 18 2HB ARG 18 2.831 10.386 0.946
140 HG2 ARG 18 1HG ARG 18 3.778 8.662 -0.771
141 HG3 ARG 18 2HG ARG 18 2.417 7.642 -0.267
142 HD2 ARG 18 2HD ARG 18 1.550 10.365 -0.835
143 HD3 ARG 18 1HD ARG 18 2.406 9.657 -2.219
144 HE ARG 18 HE ARG 18 0.334 7.999 -0.989
145 HH11 ARG 18 2HH2 ARG 18 1.162 10.205 -3.582
146 HH12 ARG 18 1HH2 ARG 18 -0.226 9.830 -4.550
147 HH21 ARG 18 2HH1 ARG 18 -1.521 7.516 -2.304
148 HH22 ARG 18 1HH1 ARG 18 -1.704 8.312 -3.829
149 H ALA 19 H ALA 19 5.727 9.873 0.234
150 HA ALA 19 HA ALA 19 6.071 12.452 1.331
151 HB1 ALA 19 1HB ALA 19 7.290 11.279 3.153
152 HB2 ALA 19 2HB ALA 19 8.379 10.556 1.945
153 HB3 ALA 19 3HB ALA 19 8.370 12.319 2.193
154 H PHE 20 H PHE 20 8.107 9.888 -0.163
155 HA PHE 20 HA PHE 20 8.376 11.573 -2.586
156 HB2 PHE 20 1HB PHE 20 10.270 11.167 -0.617
157 HB3 PHE 20 2HB PHE 20 10.717 9.966 -1.845
158 HD1 PHE 20 2HD PHE 20 9.410 13.535 -1.959
159 HD2 PHE 20 1HD PHE 20 12.415 10.705 -3.159
160 HE1 PHE 20 2HE PHE 20 10.571 15.310 -3.233
161 HE2 PHE 20 1HE PHE 20 13.570 12.480 -4.448
162 HZ PHE 20 HZ PHE 20 12.645 14.783 -4.492
Start of MODEL 3
1 H1 HIS 1 H HIS 1 -6.452 -14.080 -7.543
2 HA HIS 1 HA HIS 1 -7.119 -11.997 -5.771
3 HB2 HIS 1 2HB HIS 1 -8.516 -14.534 -5.217
4 HB3 HIS 1 1HB HIS 1 -7.637 -13.856 -3.835
5 HD1 HIS 1 1HD HIS 1 -8.256 -10.850 -4.068
6 HD2 HIS 1 2HD HIS 1 -10.975 -13.858 -4.852
7 HE1 HIS 1 1HE HIS 1 -10.566 -9.796 -3.836
8 HE2 HIS 1 2HE HIS 1 -12.211 -11.692 -4.308
9 H GLY 2 H GLY 2 -5.070 -11.420 -5.483
10 HA2 GLY 2 1HA GLY 2 -3.358 -12.778 -3.696
11 HA3 GLY 2 2HA GLY 2 -2.839 -13.116 -5.360
12 H LEU 3 H LEU 3 -2.180 -11.369 -6.732
13 HA LEU 3 HA LEU 3 -0.811 -9.265 -5.502
14 HB2 LEU 3 2HB LEU 3 -0.278 -8.454 -7.668
15 HB3 LEU 3 1HB LEU 3 -0.243 -10.224 -7.701
16 HG LEU 3 HG LEU 3 -2.765 -8.839 -8.540
17 HD11 LEU 3 1HD1 LEU 3 -1.874 -8.602 -10.838
18 HD12 LEU 3 2HD1 LEU 3 -0.265 -9.093 -10.257
19 HD13 LEU 3 3HD1 LEU 3 -0.995 -7.575 -9.680
20 HD21 LEU 3 3HD2 LEU 3 -1.292 -11.303 -9.559
21 HD22 LEU 3 1HD2 LEU 3 -2.661 -11.311 -8.422
22 HD23 LEU 3 2HD2 LEU 3 -2.896 -10.745 -10.093
23 H ALA 4 H ALA 4 -4.059 -9.183 -7.065
24 HA ALA 4 HA ALA 4 -4.620 -6.513 -6.882
25 HB1 ALA 4 1HB ALA 4 -6.057 -8.244 -7.902
26 HB2 ALA 4 2HB ALA 4 -6.967 -7.187 -6.797
27 HB3 ALA 4 3HB ALA 4 -6.498 -8.823 -6.278
28 H SER 5 H SER 5 -4.179 -8.722 -4.238
29 HA SER 5 HA SER 5 -5.347 -6.908 -2.235
30 HB2 SER 5 2HB SER 5 -5.788 -9.499 -2.423
31 HB3 SER 5 1HB SER 5 -4.196 -9.625 -1.636
32 HG SER 5 HG SER 5 -5.873 -9.502 -0.031
33 H THR 6 H THR 6 -2.243 -8.138 -3.493
34 HA THR 6 HA THR 6 -0.574 -7.427 -1.345
35 HB THR 6 HB THR 6 -0.093 -8.799 -3.514
36 HG1 THR 6 1HG THR 6 2.211 -8.237 -3.105
37 HG21 THR 6 3HG2 THR 6 0.398 -7.741 -5.425
38 HG22 THR 6 1HG2 THR 6 1.720 -6.891 -4.588
39 HG23 THR 6 2HG2 THR 6 0.099 -6.160 -4.664
40 H LEU 7 H LEU 7 -2.148 -5.499 -3.794
41 HA LEU 7 HA LEU 7 -0.729 -3.041 -3.111
42 HB2 LEU 7 2HB LEU 7 -2.960 -3.760 -5.046
43 HB3 LEU 7 1HB LEU 7 -2.270 -2.135 -4.873
44 HG LEU 7 HG LEU 7 -0.349 -4.377 -5.323
45 HD11 LEU 7 1HD1 LEU 7 -0.745 -4.317 -7.766
46 HD12 LEU 7 2HD1 LEU 7 -2.167 -4.929 -6.889
47 HD13 LEU 7 3HD1 LEU 7 -2.154 -3.260 -7.507
48 HD21 LEU 7 3HD2 LEU 7 -0.608 -1.557 -6.453
49 HD22 LEU 7 1HD2 LEU 7 0.397 -2.029 -5.061
50 HD23 LEU 7 2HD2 LEU 7 0.775 -2.654 -6.685
51 H THR 8 H THR 8 -3.143 -4.748 -1.555
52 HA THR 8 HA THR 8 -4.629 -2.381 -0.667
53 HB THR 8 HB THR 8 -5.070 -5.353 -0.184
54 HG1 THR 8 1HG THR 8 -6.749 -4.979 -1.880
55 HG21 THR 8 3HG2 THR 8 -6.270 -3.934 1.451
56 HG22 THR 8 1HG2 THR 8 -7.397 -4.729 0.326
57 HG23 THR 8 2HG2 THR 8 -6.993 -3.009 0.113
58 H ARG 9 H ARG 9 -2.010 -4.438 0.271
59 HA ARG 9 HA ARG 9 -2.169 -3.627 3.092
60 HB2 ARG 9 2HB ARG 9 -0.376 -5.601 1.648
61 HB3 ARG 9 1HB ARG 9 -0.285 -5.222 3.381
62 HG2 ARG 9 1HG ARG 9 -2.717 -5.923 3.564
63 HG3 ARG 9 2HG ARG 9 -2.596 -6.517 1.890
64 HD2 ARG 9 2HD ARG 9 -1.717 -8.439 2.679
65 HD3 ARG 9 1HD ARG 9 -0.317 -7.516 3.279
66 HE ARG 9 HE ARG 9 -2.596 -8.492 4.790
67 HH11 ARG 9 2HH2 ARG 9 0.043 -6.140 4.961
68 HH12 ARG 9 1HH2 ARG 9 -0.035 -6.042 6.689
69 HH21 ARG 9 2HH1 ARG 9 -2.633 -8.303 7.026
70 HH22 ARG 9 1HH1 ARG 9 -1.523 -7.245 7.824
71 H TRP 10 H TRP 10 0.388 -3.693 0.456
72 HA TRP 10 HA TRP 10 2.121 -1.947 1.757
73 HB2 TRP 10 1HB TRP 10 3.295 -2.792 0.105
74 HB3 TRP 10 2HB TRP 10 1.844 -3.244 -0.799
75 HD1 TRP 10 HD TRP 10 1.248 -1.859 -2.865
76 HE1 TRP 10 1HE TRP 10 2.214 0.175 -4.035
77 HE3 TRP 10 3HE TRP 10 4.699 -0.599 0.593
78 HZ2 TRP 10 2HZ TRP 10 4.245 2.074 -3.545
79 HZ3 TRP 10 3HZ TRP 10 5.931 1.548 0.365
80 HH2 TRP 10 HH TRP 10 5.764 2.837 -1.744
81 H ALA 11 H ALA 11 -0.806 -1.228 -0.057
82 HA ALA 11 HA ALA 11 -0.428 1.594 -0.303
83 HB1 ALA 11 1HB ALA 11 -2.893 1.570 -0.747
84 HB2 ALA 11 2HB ALA 11 -1.943 0.476 -1.782
85 HB3 ALA 11 3HB ALA 11 -2.879 -0.179 -0.419
86 H HIS 12 H HIS 12 -0.806 -0.227 2.493
87 HA HIS 12 HA HIS 12 -2.103 1.988 3.964
88 HB2 HIS 12 2HB HIS 12 -2.006 -0.981 4.241
89 HB3 HIS 12 1HB HIS 12 -1.978 -0.030 5.732
90 HD1 HIS 12 1HD HIS 12 -4.347 -1.019 6.283
91 HD2 HIS 12 2HD HIS 12 -4.192 1.405 2.949
92 HE1 HIS 12 1HE HIS 12 -6.747 -0.258 5.842
93 HE2 HIS 12 2HE HIS 12 -6.604 1.246 3.779
94 H TYR 13 H TYR 13 0.866 1.219 2.998
95 HA TYR 13 HA TYR 13 2.184 1.897 5.555
96 HB2 TYR 13 2HB TYR 13 2.893 0.144 3.275
97 HB3 TYR 13 1HB TYR 13 4.212 1.150 3.914
98 HD1 TYR 13 2HD TYR 13 3.473 1.291 6.820
99 HD2 TYR 13 1HD TYR 13 3.438 -1.977 4.030
100 HE1 TYR 13 2HE TYR 13 4.115 -0.230 8.626
101 HE2 TYR 13 1HE TYR 13 4.079 -3.526 5.849
102 HH TYR 13 HH TYR 13 4.299 -2.342 9.241
103 H ASN 14 H ASN 14 2.903 2.323 2.046
104 HA ASN 14 HA ASN 14 4.274 4.738 2.240
105 HB2 ASN 14 2HB ASN 14 3.980 4.923 -0.109
106 HB3 ASN 14 1HB ASN 14 4.084 3.188 0.248
107 HD21 ASN 14 2HD2 ASN 14 2.141 5.753 -1.034
108 HD22 ASN 14 1HD2 ASN 14 0.765 4.771 -1.428
109 H ALA 15 H ALA 15 0.789 4.196 2.637
110 HA ALA 15 HA ALA 15 -0.274 6.650 1.880
111 HB1 ALA 15 1HB ALA 15 -1.996 6.157 3.592
112 HB2 ALA 15 2HB ALA 15 -1.596 4.731 2.606
113 HB3 ALA 15 3HB ALA 15 -0.950 4.880 4.257
114 H LEU 16 H LEU 16 1.450 5.791 4.901
115 HA LEU 16 HA LEU 16 1.513 8.651 5.673
116 HB2 LEU 16 2HB LEU 16 0.731 6.460 7.155
117 HB3 LEU 16 1HB LEU 16 2.421 6.670 7.642
118 HG LEU 16 HG LEU 16 0.349 8.888 7.697
119 HD11 LEU 16 1HD1 LEU 16 -0.220 7.035 9.243
120 HD12 LEU 16 2HD1 LEU 16 1.396 7.167 9.975
121 HD13 LEU 16 3HD1 LEU 16 0.244 8.516 10.115
122 HD21 LEU 16 3HD2 LEU 16 3.085 8.709 9.021
123 HD22 LEU 16 1HD2 LEU 16 2.694 9.696 7.592
124 HD23 LEU 16 2HD2 LEU 16 1.932 10.058 9.160
125 H ILE 17 H ILE 17 3.529 5.789 4.896
126 HA ILE 17 HA ILE 17 6.001 7.179 5.479
127 HB ILE 17 HB ILE 17 5.537 4.530 4.060
128 HG12 ILE 17 1HG1 ILE 17 6.186 5.002 6.988
129 HG13 ILE 17 2HG1 ILE 17 4.539 4.733 6.399
130 HG21 ILE 17 1HG2 ILE 17 7.821 5.481 3.766
131 HG22 ILE 17 2HG2 ILE 17 7.980 5.615 5.533
132 HG23 ILE 17 3HG2 ILE 17 7.838 4.012 4.772
133 HD11 ILE 17 3HD1 ILE 17 5.206 2.487 5.580
134 HD12 ILE 17 1HD1 ILE 17 5.495 2.667 7.327
135 HD13 ILE 17 2HD1 ILE 17 6.856 2.767 6.185
136 H ARG 18 H ARG 18 3.845 7.964 3.190
137 HA ARG 18 HA ARG 18 5.389 8.085 0.832
138 HB2 ARG 18 2HB ARG 18 2.791 9.000 1.701
139 HB3 ARG 18 1HB ARG 18 3.633 10.305 0.834
140 HG2 ARG 18 1HG ARG 18 4.251 8.235 -0.796
141 HG3 ARG 18 2HG ARG 18 2.705 7.637 -0.154
142 HD2 ARG 18 1HD ARG 18 1.852 10.065 -0.709
143 HD3 ARG 18 2HD ARG 18 3.266 10.113 -1.787
144 HE ARG 18 HE ARG 18 2.300 8.471 -3.134
145 HH11 ARG 18 2HH2 ARG 18 0.262 9.038 -0.326
146 HH12 ARG 18 1HH2 ARG 18 -1.128 8.271 -1.013
147 HH21 ARG 18 2HH1 ARG 18 0.432 7.432 -4.003
148 HH22 ARG 18 1HH1 ARG 18 -1.010 7.360 -3.049
149 H ALA 19 H ALA 19 5.532 10.447 -0.170
150 HA ALA 19 HA ALA 19 6.783 12.369 1.651
151 HB1 ALA 19 1HB ALA 19 8.806 12.521 0.220
152 HB2 ALA 19 2HB ALA 19 8.635 10.925 0.989
153 HB3 ALA 19 3HB ALA 19 8.219 11.134 -0.729
154 H PHE 20 H PHE 20 4.256 12.486 0.421
155 HA PHE 20 HA PHE 20 4.551 14.219 -1.931
156 HB2 PHE 20 1HB PHE 20 2.884 12.359 -1.853
157 HB3 PHE 20 2HB PHE 20 2.051 13.205 -0.536
158 HD1 PHE 20 2HD PHE 20 3.476 14.213 -3.902
159 HD2 PHE 20 1HD PHE 20 0.123 14.249 -1.215
160 HE1 PHE 20 2HE PHE 20 2.178 15.536 -5.542
161 HE2 PHE 20 1HE PHE 20 -1.193 15.530 -2.878
162 HZ PHE 20 HZ PHE 20 -0.164 16.190 -5.037
Start of MODEL 4
1 H1 HIS 1 H HIS 1 -6.874 -11.989 -2.837
2 HA HIS 1 HA HIS 1 -7.114 -13.958 -4.846
3 HB2 HIS 1 2HB HIS 1 -6.585 -11.185 -5.892
4 HB3 HIS 1 1HB HIS 1 -5.926 -12.612 -6.707
5 HD1 HIS 1 1HD HIS 1 -7.418 -12.987 -8.722
6 HD2 HIS 1 2HD HIS 1 -9.536 -11.942 -5.337
7 HE1 HIS 1 1HE HIS 1 -9.884 -13.044 -9.384
8 HE2 HIS 1 2HE HIS 1 -11.156 -12.383 -7.271
9 H GLY 2 H GLY 2 -4.727 -11.250 -4.560
10 HA2 GLY 2 1HA GLY 2 -2.863 -12.565 -2.912
11 HA3 GLY 2 2HA GLY 2 -2.403 -12.828 -4.611
12 H LEU 3 H LEU 3 -1.857 -11.104 -5.927
13 HA LEU 3 HA LEU 3 -0.554 -8.914 -4.770
14 HB2 LEU 3 2HB LEU 3 -0.099 -8.149 -6.978
15 HB3 LEU 3 1HB LEU 3 0.037 -9.913 -6.933
16 HG LEU 3 HG LEU 3 -2.566 -8.708 -7.808
17 HD11 LEU 3 1HD1 LEU 3 -1.706 -8.535 -10.125
18 HD12 LEU 3 2HD1 LEU 3 -0.874 -7.409 -9.025
19 HD13 LEU 3 3HD1 LEU 3 -0.068 -8.911 -9.537
20 HD21 LEU 3 3HD2 LEU 3 -0.974 -11.136 -8.733
21 HD22 LEU 3 1HD2 LEU 3 -2.331 -11.164 -7.582
22 HD23 LEU 3 2HD2 LEU 3 -2.608 -10.685 -9.273
23 H ALA 4 H ALA 4 -3.802 -9.034 -6.294
24 HA ALA 4 HA ALA 4 -4.505 -6.383 -6.244
25 HB1 ALA 4 1HB ALA 4 -5.818 -8.238 -7.220
26 HB2 ALA 4 2HB ALA 4 -6.810 -7.199 -6.169
27 HB3 ALA 4 3HB ALA 4 -6.248 -8.784 -5.582
28 H SER 5 H SER 5 -3.985 -8.467 -3.521
29 HA SER 5 HA SER 5 -5.216 -6.603 -1.593
30 HB2 SER 5 1HB SER 5 -5.888 -8.990 -1.438
31 HB3 SER 5 2HB SER 5 -4.181 -9.437 -1.203
32 HG SER 5 HG SER 5 -5.264 -9.195 0.855
33 H THR 6 H THR 6 -2.062 -8.116 -2.584
34 HA THR 6 HA THR 6 -0.387 -7.156 -0.685
35 HB THR 6 HB THR 6 0.075 -7.221 -3.683
36 HG1 THR 6 1HG THR 6 0.903 -9.438 -2.981
37 HG21 THR 6 3HG2 THR 6 2.053 -7.549 -1.391
38 HG22 THR 6 1HG2 THR 6 2.415 -7.747 -3.123
39 HG23 THR 6 2HG2 THR 6 1.952 -6.151 -2.488
40 H LEU 7 H LEU 7 -2.048 -5.199 -3.171
41 HA LEU 7 HA LEU 7 -0.556 -2.818 -2.416
42 HB2 LEU 7 2HB LEU 7 -1.379 -1.847 -4.275
43 HB3 LEU 7 1HB LEU 7 -1.516 -3.544 -4.750
44 HG LEU 7 HG LEU 7 -3.966 -3.020 -3.558
45 HD11 LEU 7 1HD1 LEU 7 -4.780 -0.967 -4.675
46 HD12 LEU 7 2HD1 LEU 7 -3.485 -0.617 -3.506
47 HD13 LEU 7 3HD1 LEU 7 -3.129 -0.634 -5.250
48 HD21 LEU 7 3HD2 LEU 7 -4.847 -3.187 -5.838
49 HD22 LEU 7 1HD2 LEU 7 -3.532 -4.361 -5.586
50 HD23 LEU 7 2HD2 LEU 7 -3.227 -2.865 -6.501
51 H THR 8 H THR 8 -3.015 -4.486 -0.873
52 HA THR 8 HA THR 8 -4.420 -2.119 0.131
53 HB THR 8 HB THR 8 -4.909 -5.104 0.439
54 HG1 THR 8 1HG THR 8 -6.668 -4.542 -1.128
55 HG21 THR 8 3HG2 THR 8 -6.776 -2.780 1.050
56 HG22 THR 8 1HG2 THR 8 -7.197 -4.508 1.114
57 HG23 THR 8 2HG2 THR 8 -6.005 -3.840 2.254
58 H ARG 9 H ARG 9 -1.833 -4.268 0.965
59 HA ARG 9 HA ARG 9 -1.951 -3.547 3.814
60 HB2 ARG 9 2HB ARG 9 -0.165 -5.464 2.288
61 HB3 ARG 9 1HB ARG 9 -0.050 -5.138 4.029
62 HG2 ARG 9 2HG ARG 9 -1.662 -6.640 4.441
63 HG3 ARG 9 1HG ARG 9 -2.789 -5.742 3.400
64 HD2 ARG 9 2HD ARG 9 -2.574 -8.027 2.571
65 HD3 ARG 9 1HD ARG 9 -1.822 -6.907 1.411
66 HE ARG 9 HE ARG 9 0.286 -7.556 2.926
67 HH11 ARG 9 2HH2 ARG 9 -2.122 -9.648 1.509
68 HH12 ARG 9 1HH2 ARG 9 -1.062 -11.019 1.379
69 HH21 ARG 9 2HH1 ARG 9 1.678 -9.354 2.741
70 HH22 ARG 9 1HH1 ARG 9 1.078 -10.831 2.071
71 H TRP 10 H TRP 10 0.678 -3.583 1.239
72 HA TRP 10 HA TRP 10 2.346 -1.804 2.490
73 HB2 TRP 10 1HB TRP 10 3.464 -2.569 0.762
74 HB3 TRP 10 2HB TRP 10 1.987 -2.960 -0.130
75 HD1 TRP 10 HD TRP 10 1.309 -1.418 -2.063
76 HE1 TRP 10 1HE TRP 10 2.273 0.664 -3.150
77 HE3 TRP 10 3HE TRP 10 4.925 -0.439 1.318
78 HZ2 TRP 10 2HZ TRP 10 4.365 2.484 -2.634
79 HZ3 TRP 10 3HZ TRP 10 6.196 1.693 1.165
80 HH2 TRP 10 HH TRP 10 5.973 3.110 -0.854
81 H ALA 11 H ALA 11 -0.655 -1.028 0.782
82 HA ALA 11 HA ALA 11 -0.283 1.805 0.678
83 HB1 ALA 11 1HB ALA 11 -2.775 1.801 0.330
84 HB2 ALA 11 2HB ALA 11 -2.729 0.032 0.509
85 HB3 ALA 11 3HB ALA 11 -1.846 0.814 -0.823
86 H HIS 12 H HIS 12 -0.583 -0.147 3.388
87 HA HIS 12 HA HIS 12 -1.894 1.971 4.986
88 HB2 HIS 12 1HB HIS 12 -1.802 -0.984 5.037
89 HB3 HIS 12 2HB HIS 12 -1.618 -0.207 6.616
90 HD1 HIS 12 1HD HIS 12 -3.938 -0.933 7.442
91 HD2 HIS 12 2HD HIS 12 -4.036 1.276 3.962
92 HE1 HIS 12 1HE HIS 12 -6.372 -0.214 7.127
93 HE2 HIS 12 2HE HIS 12 -6.393 1.152 4.969
94 H TYR 13 H TYR 13 1.081 1.344 3.940
95 HA TYR 13 HA TYR 13 2.420 1.895 6.525
96 HB2 TYR 13 2HB TYR 13 3.049 -0.221 5.502
97 HB3 TYR 13 1HB TYR 13 3.384 0.588 3.956
98 HD1 TYR 13 2HD TYR 13 4.341 0.905 7.573
99 HD2 TYR 13 1HD TYR 13 5.592 1.175 3.476
100 HE1 TYR 13 2HE TYR 13 6.674 1.167 8.319
101 HE2 TYR 13 1HE TYR 13 7.944 1.423 4.211
102 HH TYR 13 HH TYR 13 8.740 1.673 7.706
103 H ASN 14 H ASN 14 3.191 2.429 3.045
104 HA ASN 14 HA ASN 14 4.470 4.922 3.356
105 HB2 ASN 14 2HB ASN 14 4.344 5.078 0.971
106 HB3 ASN 14 1HB ASN 14 4.650 3.383 1.393
107 HD21 ASN 14 2HD2 ASN 14 3.259 4.900 -0.936
108 HD22 ASN 14 1HD2 ASN 14 1.768 3.999 -1.099
109 H ALA 15 H ALA 15 1.063 4.183 3.541
110 HA ALA 15 HA ALA 15 -0.238 6.381 2.563
111 HB1 ALA 15 1HB ALA 15 -1.298 5.805 5.151
112 HB2 ALA 15 2HB ALA 15 -1.876 5.233 3.568
113 HB3 ALA 15 3HB ALA 15 -0.674 4.282 4.474
114 H LEU 16 H LEU 16 1.913 6.240 5.328
115 HA LEU 16 HA LEU 16 1.434 9.071 6.012
116 HB2 LEU 16 1HB LEU 16 2.839 6.797 7.449
117 HB3 LEU 16 2HB LEU 16 2.782 8.469 8.041
118 HG LEU 16 HG LEU 16 0.236 6.996 7.343
119 HD11 LEU 16 1HD1 LEU 16 1.504 5.535 8.887
120 HD12 LEU 16 2HD1 LEU 16 1.682 6.898 10.020
121 HD13 LEU 16 3HD1 LEU 16 0.068 6.233 9.675
122 HD21 LEU 16 3HD2 LEU 16 0.882 9.180 9.366
123 HD22 LEU 16 1HD2 LEU 16 0.138 9.435 7.770
124 HD23 LEU 16 2HD2 LEU 16 -0.733 8.516 9.020
125 H ILE 17 H ILE 17 3.923 6.844 4.745
126 HA ILE 17 HA ILE 17 6.026 8.842 4.728
127 HB ILE 17 HB ILE 17 5.937 6.135 3.386
128 HG12 ILE 17 1HG1 ILE 17 5.358 5.681 5.646
129 HG13 ILE 17 2HG1 ILE 17 7.015 5.151 5.351
130 HG21 ILE 17 1HG2 ILE 17 7.829 7.602 2.744
131 HG22 ILE 17 2HG2 ILE 17 8.341 7.643 4.447
132 HG23 ILE 17 3HG2 ILE 17 8.340 6.103 3.554
133 HD11 ILE 17 3HD1 ILE 17 7.859 7.139 6.576
134 HD12 ILE 17 1HD1 ILE 17 6.788 6.137 7.585
135 HD13 ILE 17 2HD1 ILE 17 6.181 7.653 6.875
136 H ARG 18 H ARG 18 3.290 8.769 2.972
137 HA ARG 18 HA ARG 18 4.311 10.277 0.716
138 HB2 ARG 18 1HB ARG 18 3.683 7.416 0.564
139 HB3 ARG 18 2HB ARG 18 2.637 8.383 -0.498
140 HG2 ARG 18 2HG ARG 18 5.643 8.782 -0.444
141 HG3 ARG 18 1HG ARG 18 4.888 7.537 -1.465
142 HD2 ARG 18 1HD ARG 18 4.044 9.067 -2.923
143 HD3 ARG 18 2HD ARG 18 3.601 10.201 -1.626
144 HE ARG 18 HE ARG 18 6.240 10.464 -1.578
145 HH11 ARG 18 2HH2 ARG 18 4.224 10.279 -4.459
146 HH12 ARG 18 1HH2 ARG 18 5.230 11.353 -5.375
147 HH21 ARG 18 2HH1 ARG 18 7.523 11.879 -2.829
148 HH22 ARG 18 1HH1 ARG 18 7.071 12.227 -4.461
149 H ALA 19 H ALA 19 2.646 11.324 -0.418
150 HA ALA 19 HA ALA 19 -0.045 11.270 0.779
151 HB1 ALA 19 1HB ALA 19 -0.061 13.752 0.780
152 HB2 ALA 19 2HB ALA 19 1.165 13.075 1.879
153 HB3 ALA 19 3HB ALA 19 1.655 13.745 0.305
154 H PHE 20 H PHE 20 0.338 9.859 -1.374
155 HA PHE 20 HA PHE 20 0.084 11.269 -3.873
156 HB2 PHE 20 1HB PHE 20 1.162 9.235 -4.031
157 HB3 PHE 20 2HB PHE 20 0.033 8.414 -2.947
158 HD1 PHE 20 2HD PHE 20 0.260 9.913 -6.397
159 HD2 PHE 20 1HD PHE 20 -1.875 7.282 -3.776
160 HE1 PHE 20 2HE PHE 20 -1.134 9.135 -8.294
161 HE2 PHE 20 1HE PHE 20 -3.314 6.568 -5.637
162 HZ PHE 20 HZ PHE 20 -2.939 7.478 -7.916
Start of MODEL 5
1 H1 HIS 1 H HIS 1 -6.589 -12.222 -3.260
2 HA HIS 1 HA HIS 1 -6.759 -14.386 -5.067
3 HB2 HIS 1 2HB HIS 1 -5.924 -11.815 -6.449
4 HB3 HIS 1 1HB HIS 1 -5.894 -13.446 -7.140
5 HD1 HIS 1 1HD HIS 1 -8.194 -10.567 -6.672
6 HD2 HIS 1 2HD HIS 1 -8.386 -14.596 -7.567
7 HE1 HIS 1 1HE HIS 1 -10.550 -10.989 -7.550
8 HE2 HIS 1 2HE HIS 1 -10.621 -13.483 -8.103
9 H GLY 2 H GLY 2 -4.526 -11.533 -4.834
10 HA2 GLY 2 2HA GLY 2 -2.567 -12.734 -3.212
11 HA3 GLY 2 1HA GLY 2 -2.098 -12.940 -4.917
12 H LEU 3 H LEU 3 -1.667 -11.175 -6.204
13 HA LEU 3 HA LEU 3 -0.513 -8.916 -5.032
14 HB2 LEU 3 1HB LEU 3 -0.136 -8.088 -7.233
15 HB3 LEU 3 2HB LEU 3 0.147 -9.835 -7.211
16 HG LEU 3 HG LEU 3 -2.547 -8.808 -8.060
17 HD11 LEU 3 1HD1 LEU 3 -1.714 -8.565 -10.379
18 HD12 LEU 3 2HD1 LEU 3 -0.053 -8.840 -9.804
19 HD13 LEU 3 3HD1 LEU 3 -0.949 -7.395 -9.277
20 HD21 LEU 3 3HD2 LEU 3 -2.473 -10.773 -9.538
21 HD22 LEU 3 1HD2 LEU 3 -2.156 -11.245 -7.851
22 HD23 LEU 3 2HD2 LEU 3 -0.810 -11.122 -9.010
23 H ALA 4 H ALA 4 -3.740 -9.226 -6.554
24 HA ALA 4 HA ALA 4 -4.628 -6.637 -6.494
25 HB1 ALA 4 1HB ALA 4 -5.821 -8.581 -7.451
26 HB2 ALA 4 2HB ALA 4 -6.871 -7.611 -6.390
27 HB3 ALA 4 3HB ALA 4 -6.195 -9.150 -5.806
28 H SER 5 H SER 5 -3.950 -8.679 -3.769
29 HA SER 5 HA SER 5 -5.274 -6.865 -1.849
30 HB2 SER 5 1HB SER 5 -5.707 -9.456 -1.961
31 HB3 SER 5 2HB SER 5 -4.122 -9.561 -1.153
32 HG SER 5 HG SER 5 -5.839 -9.388 0.418
33 H THR 6 H THR 6 -2.088 -8.290 -2.833
34 HA THR 6 HA THR 6 -0.442 -7.344 -0.890
35 HB THR 6 HB THR 6 0.080 -7.286 -3.882
36 HG1 THR 6 1HG THR 6 0.819 -9.527 -3.406
37 HG21 THR 6 3HG2 THR 6 1.917 -6.297 -2.551
38 HG22 THR 6 1HG2 THR 6 2.398 -7.854 -3.268
39 HG23 THR 6 2HG2 THR 6 1.973 -7.761 -1.542
40 H LEU 7 H LEU 7 -2.134 -5.409 -3.341
41 HA LEU 7 HA LEU 7 -0.768 -2.945 -2.575
42 HB2 LEU 7 2HB LEU 7 -3.051 -3.560 -4.483
43 HB3 LEU 7 1HB LEU 7 -2.281 -1.976 -4.283
44 HG LEU 7 HG LEU 7 -0.615 -4.391 -4.977
45 HD11 LEU 7 1HD1 LEU 7 -0.957 -3.861 -7.373
46 HD12 LEU 7 2HD1 LEU 7 -2.174 -2.644 -6.922
47 HD13 LEU 7 3HD1 LEU 7 -2.472 -4.367 -6.589
48 HD21 LEU 7 3HD2 LEU 7 -0.367 -1.426 -5.632
49 HD22 LEU 7 1HD2 LEU 7 0.520 -2.282 -4.348
50 HD23 LEU 7 2HD2 LEU 7 0.809 -2.694 -6.056
51 H THR 8 H THR 8 -3.125 -4.739 -1.042
52 HA THR 8 HA THR 8 -4.656 -2.439 -0.063
53 HB THR 8 HB THR 8 -4.985 -5.446 0.254
54 HG1 THR 8 1HG THR 8 -6.788 -4.973 -1.290
55 HG21 THR 8 3HG2 THR 8 -6.972 -3.233 0.895
56 HG22 THR 8 1HG2 THR 8 -7.295 -4.982 0.954
57 HG23 THR 8 2HG2 THR 8 -6.130 -4.254 2.085
58 H ARG 9 H ARG 9 -1.956 -4.434 0.770
59 HA ARG 9 HA ARG 9 -2.103 -3.659 3.601
60 HB2 ARG 9 2HB ARG 9 -0.434 -5.698 2.122
61 HB3 ARG 9 1HB ARG 9 -0.129 -5.233 3.810
62 HG2 ARG 9 1HG ARG 9 -2.730 -5.715 4.070
63 HG3 ARG 9 2HG ARG 9 -2.461 -6.721 2.628
64 HD2 ARG 9 1HD ARG 9 -0.355 -7.082 4.629
65 HD3 ARG 9 2HD ARG 9 -1.961 -7.452 5.288
66 HE ARG 9 HE ARG 9 -2.096 -9.277 3.947
67 HH11 ARG 9 2HH2 ARG 9 0.681 -7.456 2.749
68 HH12 ARG 9 1HH2 ARG 9 1.199 -8.736 1.701
69 HH21 ARG 9 2HH1 ARG 9 -1.351 -10.907 2.602
70 HH22 ARG 9 1HH1 ARG 9 0.056 -10.659 1.626
71 H TRP 10 H TRP 10 0.554 -3.756 1.067
72 HA TRP 10 HA TRP 10 2.178 -1.902 2.265
73 HB2 TRP 10 1HB TRP 10 3.319 -2.736 0.579
74 HB3 TRP 10 2HB TRP 10 1.852 -3.183 -0.304
75 HD1 TRP 10 HD TRP 10 1.210 -1.764 -2.336
76 HE1 TRP 10 1HE TRP 10 2.150 0.293 -3.490
77 HE3 TRP 10 3HE TRP 10 4.717 -0.554 1.082
78 HZ2 TRP 10 2HZ TRP 10 4.182 2.194 -2.997
79 HZ3 TRP 10 3HZ TRP 10 5.930 1.608 0.876
80 HH2 TRP 10 HH TRP 10 5.718 2.937 -1.201
81 H ALA 11 H ALA 11 -0.821 -1.235 0.507
82 HA ALA 11 HA ALA 11 -0.456 1.604 0.322
83 HB1 ALA 11 1HB ALA 11 -2.884 1.610 -0.181
84 HB2 ALA 11 2HB ALA 11 -1.955 0.479 -1.194
85 HB3 ALA 11 3HB ALA 11 -2.929 -0.136 0.162
86 H HIS 12 H HIS 12 -0.781 -0.266 3.071
87 HA HIS 12 HA HIS 12 -2.146 1.880 4.584
88 HB2 HIS 12 1HB HIS 12 -2.105 -1.059 4.639
89 HB3 HIS 12 2HB HIS 12 -1.815 -0.332 6.231
90 HD1 HIS 12 1HD HIS 12 -3.959 -0.071 7.454
91 HD2 HIS 12 2HD HIS 12 -4.439 0.397 3.383
92 HE1 HIS 12 1HE HIS 12 -6.435 0.444 7.081
93 HE2 HIS 12 2HE HIS 12 -6.689 0.723 4.552
94 H TYR 13 H TYR 13 0.846 1.284 3.597
95 HA TYR 13 HA TYR 13 2.162 1.881 6.189
96 HB2 TYR 13 1HB TYR 13 2.541 -0.247 4.555
97 HB3 TYR 13 2HB TYR 13 3.682 0.899 3.815
98 HD1 TYR 13 2HD TYR 13 2.713 -0.825 6.912
99 HD2 TYR 13 1HD TYR 13 5.720 1.590 5.022
100 HE1 TYR 13 2HE TYR 13 4.331 -1.520 8.637
101 HE2 TYR 13 1HE TYR 13 7.352 0.910 6.755
102 HH TYR 13 HH TYR 13 6.318 -1.130 9.529
103 H ASN 14 H ASN 14 2.951 2.293 2.685
104 HA ASN 14 HA ASN 14 4.261 4.700 2.832
105 HB2 ASN 14 2HB ASN 14 4.026 3.060 0.894
106 HB3 ASN 14 1HB ASN 14 2.502 3.892 0.513
107 HD21 ASN 14 2HD2 ASN 14 3.249 4.803 -1.478
108 HD22 ASN 14 1HD2 ASN 14 4.454 6.076 -1.419
109 H ALA 15 H ALA 15 0.836 4.268 3.293
110 HA ALA 15 HA ALA 15 -0.272 6.707 2.582
111 HB1 ALA 15 1HB ALA 15 -1.825 6.244 4.458
112 HB2 ALA 15 2HB ALA 15 -0.716 4.984 5.048
113 HB3 ALA 15 3HB ALA 15 -1.516 4.797 3.469
114 H LEU 16 H LEU 16 2.029 5.983 5.174
115 HA LEU 16 HA LEU 16 1.919 8.763 6.142
116 HB2 LEU 16 2HB LEU 16 2.884 6.193 7.341
117 HB3 LEU 16 1HB LEU 16 3.594 7.731 7.869
118 HG LEU 16 HG LEU 16 1.070 8.462 8.079
119 HD11 LEU 16 1HD1 LEU 16 0.115 6.382 7.160
120 HD12 LEU 16 2HD1 LEU 16 0.834 5.466 8.506
121 HD13 LEU 16 3HD1 LEU 16 -0.422 6.686 8.829
122 HD21 LEU 16 3HD2 LEU 16 2.497 6.695 10.090
123 HD22 LEU 16 1HD2 LEU 16 1.141 7.789 10.456
124 HD23 LEU 16 2HD2 LEU 16 2.691 8.453 9.888
125 H ILE 17 H ILE 17 4.066 6.444 4.490
126 HA ILE 17 HA ILE 17 6.343 8.248 4.511
127 HB ILE 17 HB ILE 17 5.957 5.689 2.953
128 HG12 ILE 17 2HG1 ILE 17 5.451 5.050 5.191
129 HG13 ILE 17 1HG1 ILE 17 7.050 4.446 4.749
130 HG21 ILE 17 1HG2 ILE 17 7.932 7.061 2.349
131 HG22 ILE 17 2HG2 ILE 17 8.354 5.454 2.987
132 HG23 ILE 17 3HG2 ILE 17 8.525 6.894 4.019
133 HD11 ILE 17 3HD1 ILE 17 6.510 6.838 6.547
134 HD12 ILE 17 1HD1 ILE 17 7.009 5.214 7.077
135 HD13 ILE 17 2HD1 ILE 17 8.115 6.210 6.102
136 H ARG 18 H ARG 18 3.554 8.636 3.031
137 HA ARG 18 HA ARG 18 2.845 10.075 1.486
138 HB2 ARG 18 1HB ARG 18 5.190 11.104 1.788
139 HB3 ARG 18 2HB ARG 18 5.582 10.301 0.257
140 HG2 ARG 18 2HG ARG 18 3.069 11.700 0.006
141 HG3 ARG 18 1HG ARG 18 4.313 12.799 0.643
142 HD2 ARG 18 1HD ARG 18 5.754 11.558 -1.300
143 HD3 ARG 18 2HD ARG 18 4.127 11.469 -2.021
144 HE ARG 18 HE ARG 18 5.745 13.804 -1.613
145 HH11 ARG 18 2HH2 ARG 18 2.353 12.879 -1.707
146 HH12 ARG 18 1HH2 ARG 18 1.805 14.476 -2.097
147 HH21 ARG 18 2HH1 ARG 18 4.993 15.866 -2.086
148 HH22 ARG 18 1HH1 ARG 18 3.298 16.146 -2.306
149 H ALA 19 H ALA 19 1.483 9.007 0.261
150 HA ALA 19 HA ALA 19 2.506 7.332 -1.955
151 HB1 ALA 19 1HB ALA 19 -0.095 6.685 -0.600
152 HB2 ALA 19 2HB ALA 19 1.426 6.219 0.197
153 HB3 ALA 19 3HB ALA 19 1.055 5.613 -1.434
154 H PHE 20 H PHE 20 2.284 9.630 -2.933
155 HA PHE 20 HA PHE 20 -0.260 9.777 -4.356
156 HB2 PHE 20 1HB PHE 20 -0.154 11.122 -1.984
157 HB3 PHE 20 2HB PHE 20 0.467 12.363 -3.092
158 HD1 PHE 20 1HD PHE 20 -0.935 12.884 -5.205
159 HD2 PHE 20 2HD PHE 20 -2.467 10.658 -1.864
160 HE1 PHE 20 1HE PHE 20 -3.243 13.469 -5.874
161 HE2 PHE 20 2HE PHE 20 -4.779 11.255 -2.529
162 HZ PHE 20 HZ PHE 20 -5.171 12.636 -4.552
Start of MODEL 6
1 H1 HIS 1 H HIS 1 -6.312 -14.359 -7.496
2 HA HIS 1 HA HIS 1 -6.847 -12.058 -5.973
3 HB2 HIS 1 1HB HIS 1 -7.606 -13.029 -3.832
4 HB3 HIS 1 2HB HIS 1 -8.817 -13.116 -5.120
5 HD1 HIS 1 1HD HIS 1 -6.518 -15.407 -3.131
6 HD2 HIS 1 2HD HIS 1 -9.558 -15.548 -5.921
7 HE1 HIS 1 1HE HIS 1 -7.252 -17.850 -3.262
8 HE2 HIS 1 2HE HIS 1 -9.087 -17.900 -5.042
9 H GLY 2 H GLY 2 -4.871 -11.423 -5.476
10 HA2 GLY 2 1HA GLY 2 -3.121 -12.826 -3.768
11 HA3 GLY 2 2HA GLY 2 -2.606 -13.096 -5.447
12 H LEU 3 H LEU 3 -1.981 -11.298 -6.757
13 HA LEU 3 HA LEU 3 -0.643 -9.210 -5.462
14 HB2 LEU 3 2HB LEU 3 -0.134 -8.321 -7.604
15 HB3 LEU 3 1HB LEU 3 -0.067 -10.088 -7.695
16 HG LEU 3 HG LEU 3 -2.618 -8.723 -8.478
17 HD11 LEU 3 1HD1 LEU 3 -1.739 -8.397 -10.771
18 HD12 LEU 3 2HD1 LEU 3 -0.119 -8.879 -10.211
19 HD13 LEU 3 3HD1 LEU 3 -0.873 -7.393 -9.583
20 HD21 LEU 3 3HD2 LEU 3 -2.720 -10.580 -10.093
21 HD22 LEU 3 1HD2 LEU 3 -2.471 -11.195 -8.442
22 HD23 LEU 3 2HD2 LEU 3 -1.105 -11.126 -9.581
23 H ALA 4 H ALA 4 -3.899 -9.145 -7.012
24 HA ALA 4 HA ALA 4 -4.520 -6.502 -6.713
25 HB1 ALA 4 1HB ALA 4 -5.917 -8.219 -7.811
26 HB2 ALA 4 2HB ALA 4 -6.352 -8.871 -6.213
27 HB3 ALA 4 3HB ALA 4 -6.849 -7.223 -6.669
28 H SER 5 H SER 5 -4.029 -8.800 -4.156
29 HA SER 5 HA SER 5 -5.196 -7.060 -2.089
30 HB2 SER 5 1HB SER 5 -5.775 -9.521 -2.183
31 HB3 SER 5 2HB SER 5 -4.070 -9.866 -1.805
32 HG SER 5 HG SER 5 -5.371 -9.768 0.144
33 H THR 6 H THR 6 -2.086 -8.201 -3.410
34 HA THR 6 HA THR 6 -0.420 -7.513 -1.256
35 HB THR 6 HB THR 6 0.079 -8.813 -3.463
36 HG1 THR 6 1HG THR 6 2.371 -8.233 -3.034
37 HG21 THR 6 3HG2 THR 6 0.542 -7.684 -5.341
38 HG22 THR 6 1HG2 THR 6 1.857 -6.845 -4.482
39 HG23 THR 6 2HG2 THR 6 0.226 -6.133 -4.525
40 H LEU 7 H LEU 7 -2.052 -5.520 -3.645
41 HA LEU 7 HA LEU 7 -0.624 -3.111 -2.816
42 HB2 LEU 7 2HB LEU 7 -1.604 -2.061 -4.638
43 HB3 LEU 7 1HB LEU 7 -1.306 -3.709 -5.204
44 HG LEU 7 HG LEU 7 -3.900 -3.822 -4.199
45 HD11 LEU 7 1HD1 LEU 7 -3.941 -1.352 -4.053
46 HD12 LEU 7 2HD1 LEU 7 -3.529 -1.248 -5.782
47 HD13 LEU 7 3HD1 LEU 7 -5.083 -1.955 -5.278
48 HD21 LEU 7 3HD2 LEU 7 -4.538 -4.061 -6.557
49 HD22 LEU 7 1HD2 LEU 7 -3.017 -4.924 -6.226
50 HD23 LEU 7 2HD2 LEU 7 -2.985 -3.352 -7.061
51 H THR 8 H THR 8 -3.041 -4.894 -1.366
52 HA THR 8 HA THR 8 -4.560 -2.584 -0.405
53 HB THR 8 HB THR 8 -4.971 -5.548 0.130
54 HG1 THR 8 1HG THR 8 -6.501 -5.358 -1.704
55 HG21 THR 8 3HG2 THR 8 -6.284 -4.017 1.573
56 HG22 THR 8 1HG2 THR 8 -7.332 -4.903 0.439
57 HG23 THR 8 2HG2 THR 8 -6.917 -3.202 0.122
58 H ARG 9 H ARG 9 -1.897 -4.615 0.505
59 HA ARG 9 HA ARG 9 -2.102 -3.753 3.320
60 HB2 ARG 9 1HB ARG 9 -1.708 -6.176 2.765
61 HB3 ARG 9 2HB ARG 9 -0.131 -5.703 2.090
62 HG2 ARG 9 1HG ARG 9 0.190 -4.497 4.402
63 HG3 ARG 9 2HG ARG 9 -1.098 -5.584 4.952
64 HD2 ARG 9 2HD ARG 9 1.304 -6.692 3.502
65 HD3 ARG 9 1HD ARG 9 1.414 -6.278 5.223
66 HE ARG 9 HE ARG 9 0.107 -8.062 5.753
67 HH11 ARG 9 2HH2 ARG 9 -0.124 -7.753 2.250
68 HH12 ARG 9 1HH2 ARG 9 -0.876 -9.301 2.054
69 HH21 ARG 9 2HH1 ARG 9 -0.861 -10.060 5.440
70 HH22 ARG 9 1HH1 ARG 9 -1.293 -10.576 3.846
71 H TRP 10 H TRP 10 0.482 -3.875 0.678
72 HA TRP 10 HA TRP 10 2.209 -2.135 1.983
73 HB2 TRP 10 2HB TRP 10 3.388 -2.956 0.312
74 HB3 TRP 10 1HB TRP 10 1.930 -3.382 -0.596
75 HD1 TRP 10 HD TRP 10 1.340 -1.989 -2.640
76 HE1 TRP 10 1HE TRP 10 2.309 0.052 -3.800
77 HE3 TRP 10 3HE TRP 10 4.797 -0.755 0.823
78 HZ2 TRP 10 2HZ TRP 10 4.326 1.962 -3.286
79 HZ3 TRP 10 3HZ TRP 10 6.021 1.397 0.616
80 HH2 TRP 10 HH TRP 10 5.837 2.715 -1.476
81 H ALA 11 H ALA 11 -0.731 -1.379 0.189
82 HA ALA 11 HA ALA 11 -0.299 1.454 0.008
83 HB1 ALA 11 1HB ALA 11 -2.712 1.522 -0.528
84 HB2 ALA 11 2HB ALA 11 -2.823 -0.216 -0.157
85 HB3 ALA 11 3HB ALA 11 -1.818 0.342 -1.516
86 H HIS 12 H HIS 12 -0.715 -0.428 2.752
87 HA HIS 12 HA HIS 12 -2.012 1.768 4.250
88 HB2 HIS 12 2HB HIS 12 -1.878 -1.215 4.481
89 HB3 HIS 12 1HB HIS 12 -1.947 -0.272 5.979
90 HD1 HIS 12 1HD HIS 12 -4.284 0.044 6.747
91 HD2 HIS 12 2HD HIS 12 -4.035 -0.222 2.636
92 HE1 HIS 12 1HE HIS 12 -6.676 0.282 5.870
93 HE2 HIS 12 2HE HIS 12 -6.476 0.107 3.326
94 H TYR 13 H TYR 13 0.961 1.067 3.284
95 HA TYR 13 HA TYR 13 2.295 1.600 5.878
96 HB2 TYR 13 2HB TYR 13 2.647 -0.469 4.160
97 HB3 TYR 13 1HB TYR 13 3.787 0.698 3.455
98 HD1 TYR 13 2HD TYR 13 5.700 1.579 4.849
99 HD2 TYR 13 1HD TYR 13 2.983 -1.410 6.308
100 HE1 TYR 13 2HE TYR 13 7.392 0.853 6.491
101 HE2 TYR 13 1HE TYR 13 4.666 -2.141 7.968
102 HH TYR 13 HH TYR 13 7.769 -0.368 8.321
103 H ASN 14 H ASN 14 3.087 2.140 2.381
104 HA ASN 14 HA ASN 14 4.383 4.589 2.698
105 HB2 ASN 14 1HB ASN 14 4.286 4.855 0.367
106 HB3 ASN 14 2HB ASN 14 4.370 3.104 0.635
107 HD21 ASN 14 2HD2 ASN 14 2.681 1.791 -0.154
108 HD22 ASN 14 1HD2 ASN 14 1.227 2.491 -0.810
109 H ALA 15 H ALA 15 0.962 3.991 3.010
110 HA ALA 15 HA ALA 15 -0.269 6.271 2.118
111 HB1 ALA 15 1HB ALA 15 -1.872 5.849 3.962
112 HB2 ALA 15 2HB ALA 15 -0.700 4.736 4.708
113 HB3 ALA 15 3HB ALA 15 -1.406 4.354 3.118
114 H LEU 16 H LEU 16 1.958 5.960 4.822
115 HA LEU 16 HA LEU 16 1.594 8.798 5.559
116 HB2 LEU 16 1HB LEU 16 1.545 6.719 7.171
117 HB3 LEU 16 2HB LEU 16 3.313 6.840 7.056
118 HG LEU 16 HG LEU 16 1.789 9.360 7.605
119 HD11 LEU 16 1HD1 LEU 16 1.684 8.825 10.022
120 HD12 LEU 16 2HD1 LEU 16 0.673 7.718 9.064
121 HD13 LEU 16 3HD1 LEU 16 2.254 7.174 9.677
122 HD21 LEU 16 3HD2 LEU 16 4.360 8.172 8.737
123 HD22 LEU 16 1HD2 LEU 16 4.262 9.355 7.412
124 HD23 LEU 16 2HD2 LEU 16 3.738 9.810 9.050
125 H ILE 17 H ILE 17 3.969 6.488 4.199
126 HA ILE 17 HA ILE 17 6.142 8.417 4.148
127 HB ILE 17 HB ILE 17 5.926 5.746 2.749
128 HG12 ILE 17 2HG1 ILE 17 5.419 5.218 5.010
129 HG13 ILE 17 1HG1 ILE 17 7.068 4.699 4.649
130 HG21 ILE 17 1HG2 ILE 17 7.835 7.180 2.080
131 HG22 ILE 17 2HG2 ILE 17 8.405 7.161 3.766
132 HG23 ILE 17 3HG2 ILE 17 8.332 5.646 2.834
133 HD11 ILE 17 3HD1 ILE 17 7.973 6.622 5.898
134 HD12 ILE 17 1HD1 ILE 17 6.912 5.620 6.916
135 HD13 ILE 17 2HD1 ILE 17 6.317 7.165 6.262
136 H ARG 18 H ARG 18 3.313 8.376 2.454
137 HA ARG 18 HA ARG 18 3.881 8.523 -0.187
138 HB2 ARG 18 1HB ARG 18 1.681 8.822 1.342
139 HB3 ARG 18 2HB ARG 18 1.949 10.524 0.908
140 HG2 ARG 18 1HG ARG 18 2.139 9.715 -1.525
141 HG3 ARG 18 2HG ARG 18 1.490 8.162 -0.948
142 HD2 ARG 18 2HD ARG 18 -0.127 10.284 0.124
143 HD3 ARG 18 1HD ARG 18 0.063 10.549 -1.622
144 HE ARG 18 HE ARG 18 -0.527 7.885 -1.428
145 HH11 ARG 18 2HH2 ARG 18 -2.159 10.766 -0.265
146 HH12 ARG 18 1HH2 ARG 18 -3.746 10.076 -0.376
147 HH21 ARG 18 2HH1 ARG 18 -2.647 7.000 -1.549
148 HH22 ARG 18 1HH1 ARG 18 -4.002 7.977 -1.097
149 H ALA 19 H ALA 19 4.187 11.115 2.237
150 HA ALA 19 HA ALA 19 4.877 13.262 2.164
151 HB1 ALA 19 1HB ALA 19 7.239 13.433 1.434
152 HB2 ALA 19 2HB ALA 19 7.091 11.844 0.647
153 HB3 ALA 19 3HB ALA 19 6.924 11.981 2.413
154 H PHE 20 H PHE 20 2.897 13.377 0.629
155 HA PHE 20 HA PHE 20 3.690 14.598 -1.945
156 HB2 PHE 20 2HB PHE 20 2.293 12.520 -1.957
157 HB3 PHE 20 1HB PHE 20 1.023 13.419 -1.103
158 HD1 PHE 20 1HD PHE 20 3.034 13.311 -4.234
159 HD2 PHE 20 2HD PHE 20 -0.461 14.877 -2.287
160 HE1 PHE 20 1HE PHE 20 2.168 14.088 -6.422
161 HE2 PHE 20 2HE PHE 20 -1.332 15.652 -4.476
162 HZ PHE 20 HZ PHE 20 -0.000 15.293 -6.540
Start of MODEL 7
1 H1 HIS 1 H HIS 1 -5.988 -12.189 -7.590
2 HA HIS 1 HA HIS 1 -7.210 -11.701 -5.084
3 HB2 HIS 1 2HB HIS 1 -8.816 -13.408 -6.132
4 HB3 HIS 1 1HB HIS 1 -7.532 -14.597 -5.858
5 HD1 HIS 1 1HD HIS 1 -8.761 -15.900 -3.929
6 HD2 HIS 1 2HD HIS 1 -8.508 -11.821 -3.335
7 HE1 HIS 1 1HE HIS 1 -9.705 -15.462 -1.602
8 HE2 HIS 1 2HE HIS 1 -9.539 -12.929 -1.270
9 H GLY 2 H GLY 2 -4.925 -11.011 -5.274
10 HA2 GLY 2 2HA GLY 2 -3.186 -12.526 -3.665
11 HA3 GLY 2 1HA GLY 2 -2.717 -12.757 -5.364
12 H LEU 3 H LEU 3 -1.949 -10.982 -6.602
13 HA LEU 3 HA LEU 3 -0.594 -8.950 -5.251
14 HB2 LEU 3 1HB LEU 3 -0.015 -8.034 -7.360
15 HB3 LEU 3 2HB LEU 3 0.023 -9.800 -7.484
16 HG LEU 3 HG LEU 3 -2.504 -8.409 -8.280
17 HD11 LEU 3 1HD1 LEU 3 -1.585 -7.935 -10.530
18 HD12 LEU 3 2HD1 LEU 3 0.032 -8.417 -9.964
19 HD13 LEU 3 3HD1 LEU 3 -0.764 -6.984 -9.269
20 HD21 LEU 3 3HD2 LEU 3 -0.919 -10.719 -9.476
21 HD22 LEU 3 1HD2 LEU 3 -2.305 -10.875 -8.371
22 HD23 LEU 3 2HD2 LEU 3 -2.534 -10.178 -9.993
23 H ALA 4 H ALA 4 -3.827 -8.776 -6.824
24 HA ALA 4 HA ALA 4 -4.352 -6.101 -6.559
25 HB1 ALA 4 1HB ALA 4 -5.802 -7.779 -7.647
26 HB2 ALA 4 2HB ALA 4 -6.264 -8.404 -6.046
27 HB3 ALA 4 3HB ALA 4 -6.706 -6.745 -6.515
28 H SER 5 H SER 5 -3.990 -8.414 -3.993
29 HA SER 5 HA SER 5 -5.087 -6.671 -1.897
30 HB2 SER 5 1HB SER 5 -5.776 -8.990 -1.787
31 HB3 SER 5 2HB SER 5 -4.091 -9.543 -1.903
32 HG SER 5 HG SER 5 -4.837 -9.566 0.298
33 H THR 6 H THR 6 -1.987 -7.844 -3.249
34 HA THR 6 HA THR 6 -0.316 -7.184 -1.088
35 HB THR 6 HB THR 6 0.155 -8.501 -3.287
36 HG1 THR 6 1HG THR 6 2.456 -7.988 -2.857
37 HG21 THR 6 3HG2 THR 6 0.361 -5.837 -4.368
38 HG22 THR 6 1HG2 THR 6 1.979 -6.575 -4.311
39 HG23 THR 6 2HG2 THR 6 0.655 -7.399 -5.170
40 H LEU 7 H LEU 7 -1.879 -5.183 -3.482
41 HA LEU 7 HA LEU 7 -0.513 -2.735 -2.710
42 HB2 LEU 7 1HB LEU 7 -0.983 -2.937 -4.980
43 HB3 LEU 7 2HB LEU 7 -2.609 -3.564 -4.701
44 HG LEU 7 HG LEU 7 -3.285 -1.297 -3.909
45 HD11 LEU 7 1HD1 LEU 7 -1.067 -0.394 -3.296
46 HD12 LEU 7 2HD1 LEU 7 -1.935 0.661 -4.437
47 HD13 LEU 7 3HD1 LEU 7 -0.610 -0.378 -5.017
48 HD21 LEU 7 3HD2 LEU 7 -2.191 -1.522 -6.727
49 HD22 LEU 7 1HD2 LEU 7 -3.401 -0.335 -6.183
50 HD23 LEU 7 2HD2 LEU 7 -3.783 -2.073 -6.152
51 H THR 8 H THR 8 -2.923 -4.581 -1.175
52 HA THR 8 HA THR 8 -4.377 -2.224 -0.210
53 HB THR 8 HB THR 8 -4.856 -5.205 0.084
54 HG1 THR 8 1HG THR 8 -6.619 -4.585 -1.474
55 HG21 THR 8 3HG2 THR 8 -5.942 -3.967 1.931
56 HG22 THR 8 1HG2 THR 8 -7.139 -4.619 0.787
57 HG23 THR 8 2HG2 THR 8 -6.719 -2.889 0.747
58 H ARG 9 H ARG 9 -1.750 -4.254 0.661
59 HA ARG 9 HA ARG 9 -1.879 -3.526 3.511
60 HB2 ARG 9 2HB ARG 9 -0.141 -5.452 1.930
61 HB3 ARG 9 1HB ARG 9 -0.003 -5.170 3.679
62 HG2 ARG 9 1HG ARG 9 -1.988 -6.246 4.152
63 HG3 ARG 9 2HG ARG 9 -2.715 -5.824 2.583
64 HD2 ARG 9 2HD ARG 9 -1.220 -7.450 1.456
65 HD3 ARG 9 1HD ARG 9 -0.503 -7.879 3.031
66 HE ARG 9 HE ARG 9 -3.185 -8.513 2.042
67 HH11 ARG 9 2HH2 ARG 9 -1.143 -8.406 4.907
68 HH12 ARG 9 1HH2 ARG 9 -2.097 -9.553 5.789
69 HH21 ARG 9 2HH1 ARG 9 -4.416 -10.020 3.249
70 HH22 ARG 9 1HH1 ARG 9 -3.915 -10.453 4.847
71 H TRP 10 H TRP 10 0.654 -3.543 0.850
72 HA TRP 10 HA TRP 10 2.409 -1.835 2.189
73 HB2 TRP 10 2HB TRP 10 3.567 -2.699 0.523
74 HB3 TRP 10 1HB TRP 10 2.100 -3.083 -0.391
75 HD1 TRP 10 HD TRP 10 1.506 -1.611 -2.402
76 HE1 TRP 10 1HE TRP 10 2.531 0.423 -3.531
77 HE3 TRP 10 3HE TRP 10 5.067 -0.592 1.024
78 HZ2 TRP 10 2HZ TRP 10 4.652 2.219 -3.019
79 HZ3 TRP 10 3HZ TRP 10 6.366 1.520 0.855
80 HH2 TRP 10 HH TRP 10 6.250 2.852 -1.228
81 H ALA 11 H ALA 11 -0.536 -1.064 0.399
82 HA ALA 11 HA ALA 11 -0.062 1.772 0.263
83 HB1 ALA 11 1HB ALA 11 -2.422 1.930 -0.349
84 HB2 ALA 11 2HB ALA 11 -1.590 0.674 -1.297
85 HB3 ALA 11 3HB ALA 11 -2.651 0.212 0.056
86 H HIS 12 H HIS 12 -0.494 -0.133 2.967
87 HA HIS 12 HA HIS 12 -1.839 2.017 4.484
88 HB2 HIS 12 2HB HIS 12 -1.826 -0.904 4.495
89 HB3 HIS 12 1HB HIS 12 -1.452 -0.232 6.093
90 HD1 HIS 12 1HD HIS 12 -3.507 0.292 7.433
91 HD2 HIS 12 2HD HIS 12 -4.210 0.386 3.365
92 HE1 HIS 12 1HE HIS 12 -5.996 0.818 7.157
93 HE2 HIS 12 2HE HIS 12 -6.395 0.856 4.630
94 H TYR 13 H TYR 13 1.183 1.312 3.531
95 HA TYR 13 HA TYR 13 2.516 1.999 6.082
96 HB2 TYR 13 1HB TYR 13 3.229 0.457 3.611
97 HB3 TYR 13 2HB TYR 13 4.530 1.315 4.462
98 HD1 TYR 13 1HD TYR 13 1.569 -0.896 5.368
99 HD2 TYR 13 2HD TYR 13 5.697 0.137 5.974
100 HE1 TYR 13 1HE TYR 13 1.821 -2.815 6.892
101 HE2 TYR 13 2HE TYR 13 5.967 -1.792 7.482
102 HH TYR 13 HH TYR 13 4.916 -3.355 8.645
103 H ASN 14 H ASN 14 3.190 2.495 2.579
104 HA ASN 14 HA ASN 14 4.468 4.992 2.929
105 HB2 ASN 14 2HB ASN 14 4.715 3.308 1.038
106 HB3 ASN 14 1HB ASN 14 3.203 3.973 0.383
107 HD21 ASN 14 2HD2 ASN 14 4.926 4.446 -1.453
108 HD22 ASN 14 1HD2 ASN 14 5.609 6.055 -1.292
109 H ALA 15 H ALA 15 1.137 4.250 3.114
110 HA ALA 15 HA ALA 15 -0.188 6.470 2.086
111 HB1 ALA 15 1HB ALA 15 -1.308 5.843 4.611
112 HB2 ALA 15 2HB ALA 15 -1.813 5.238 3.015
113 HB3 ALA 15 3HB ALA 15 -0.628 4.325 3.978
114 H LEU 16 H LEU 16 1.976 6.228 4.875
115 HA LEU 16 HA LEU 16 1.421 9.024 5.657
116 HB2 LEU 16 1HB LEU 16 1.477 6.932 7.259
117 HB3 LEU 16 2HB LEU 16 3.238 7.149 7.150
118 HG LEU 16 HG LEU 16 2.520 9.699 7.600
119 HD11 LEU 16 1HD1 LEU 16 0.722 9.794 9.293
120 HD12 LEU 16 2HD1 LEU 16 0.388 8.067 9.019
121 HD13 LEU 16 3HD1 LEU 16 0.126 9.243 7.709
122 HD21 LEU 16 3HD2 LEU 16 4.170 8.447 8.883
123 HD22 LEU 16 1HD2 LEU 16 3.078 9.330 9.976
124 HD23 LEU 16 2HD2 LEU 16 2.876 7.577 9.741
125 H ILE 17 H ILE 17 3.978 6.866 4.348
126 HA ILE 17 HA ILE 17 6.050 8.887 4.477
127 HB ILE 17 HB ILE 17 6.036 6.215 3.063
128 HG12 ILE 17 2HG1 ILE 17 5.394 5.677 5.287
129 HG13 ILE 17 1HG1 ILE 17 7.074 5.198 5.027
130 HG21 ILE 17 1HG2 ILE 17 7.941 7.704 2.519
131 HG22 ILE 17 2HG2 ILE 17 8.425 6.180 3.301
132 HG23 ILE 17 3HG2 ILE 17 8.402 7.693 4.238
133 HD11 ILE 17 3HD1 ILE 17 7.854 7.141 6.330
134 HD12 ILE 17 1HD1 ILE 17 6.757 6.112 7.281
135 HD13 ILE 17 2HD1 ILE 17 6.167 7.643 6.592
136 H ARG 18 H ARG 18 3.414 8.876 2.635
137 HA ARG 18 HA ARG 18 2.765 10.085 0.860
138 HB2 ARG 18 2HB ARG 18 5.364 11.106 1.062
139 HB3 ARG 18 1HB ARG 18 5.233 10.515 -0.607
140 HG2 ARG 18 1HG ARG 18 4.459 12.715 -0.763
141 HG3 ARG 18 2HG ARG 18 2.959 11.770 -0.649
142 HD2 ARG 18 1HD ARG 18 2.455 13.299 0.972
143 HD3 ARG 18 2HD ARG 18 3.436 12.223 1.993
144 HE ARG 18 HE ARG 18 5.239 13.951 0.802
145 HH11 ARG 18 2HH2 ARG 18 2.588 14.234 3.063
146 HH12 ARG 18 1HH2 ARG 18 3.123 15.743 3.730
147 HH21 ARG 18 2HH1 ARG 18 5.931 15.963 1.689
148 HH22 ARG 18 1HH1 ARG 18 5.007 16.689 2.958
149 H ALA 19 H ALA 19 1.803 8.140 0.227
150 HA ALA 19 HA ALA 19 3.169 6.394 -1.616
151 HB1 ALA 19 1HB ALA 19 1.481 5.549 -0.025
152 HB2 ALA 19 2HB ALA 19 1.057 5.176 -1.713
153 HB3 ALA 19 3HB ALA 19 0.229 6.500 -0.860
154 H PHE 20 H PHE 20 0.104 8.238 -2.050
155 HA PHE 20 HA PHE 20 1.038 9.075 -4.728
156 HB2 PHE 20 1HB PHE 20 -0.476 6.906 -4.407
157 HB3 PHE 20 2HB PHE 20 -1.775 8.117 -4.343
158 HD1 PHE 20 1HD PHE 20 1.139 6.968 -6.340
159 HD2 PHE 20 2HD PHE 20 -2.589 9.104 -6.355
160 HE1 PHE 20 1HE PHE 20 1.188 7.025 -8.820
161 HE2 PHE 20 2HE PHE 20 -2.559 9.135 -8.838
162 HZ PHE 20 HZ PHE 20 -0.674 8.093 -10.068
Start of MODEL 8
1 H1 HIS 1 H HIS 1 -8.016 -11.823 -3.629
2 HA HIS 1 HA HIS 1 -8.408 -13.908 -5.492
3 HB2 HIS 1 1HB HIS 1 -8.802 -11.566 -6.789
4 HB3 HIS 1 2HB HIS 1 -7.047 -11.739 -7.008
5 HD1 HIS 1 1HD HIS 1 -10.242 -13.712 -7.692
6 HD2 HIS 1 2HD HIS 1 -6.300 -13.429 -8.887
7 HE1 HIS 1 1HE HIS 1 -10.023 -15.173 -9.780
8 HE2 HIS 1 2HE HIS 1 -7.578 -14.957 -10.486
9 H GLY 2 H GLY 2 -5.902 -11.284 -5.253
10 HA2 GLY 2 1HA GLY 2 -4.119 -12.653 -3.568
11 HA3 GLY 2 2HA GLY 2 -3.637 -12.953 -5.254
12 H LEU 3 H LEU 3 -2.915 -11.298 -6.549
13 HA LEU 3 HA LEU 3 -1.595 -9.131 -5.380
14 HB2 LEU 3 1HB LEU 3 -1.030 -8.408 -7.577
15 HB3 LEU 3 2HB LEU 3 -0.936 -10.175 -7.506
16 HG LEU 3 HG LEU 3 -3.503 -8.973 -8.458
17 HD11 LEU 3 1HD1 LEU 3 -2.588 -8.685 -10.741
18 HD12 LEU 3 2HD1 LEU 3 -0.955 -9.035 -10.121
19 HD13 LEU 3 3HD1 LEU 3 -1.820 -7.578 -9.577
20 HD21 LEU 3 3HD2 LEU 3 -1.811 -11.317 -9.416
21 HD22 LEU 3 1HD2 LEU 3 -3.198 -11.426 -8.305
22 HD23 LEU 3 2HD2 LEU 3 -3.444 -10.900 -9.987
23 H ALA 4 H ALA 4 -4.787 -9.179 -6.996
24 HA ALA 4 HA ALA 4 -5.408 -6.509 -7.062
25 HB1 ALA 4 1HB ALA 4 -6.764 -8.358 -7.988
26 HB2 ALA 4 2HB ALA 4 -7.739 -7.249 -6.996
27 HB3 ALA 4 3HB ALA 4 -7.239 -8.825 -6.338
28 H SER 5 H SER 5 -5.020 -8.508 -4.244
29 HA SER 5 HA SER 5 -6.218 -6.498 -2.440
30 HB2 SER 5 1HB SER 5 -6.824 -9.066 -2.448
31 HB3 SER 5 2HB SER 5 -5.278 -9.225 -1.577
32 HG SER 5 HG SER 5 -7.021 -8.858 -0.079
33 H THR 6 H THR 6 -3.133 -8.199 -3.288
34 HA THR 6 HA THR 6 -1.454 -7.271 -1.363
35 HB THR 6 HB THR 6 -0.910 -7.449 -4.344
36 HG1 THR 6 1HG THR 6 -0.264 -9.694 -3.610
37 HG21 THR 6 3HG2 THR 6 0.986 -6.468 -3.097
38 HG22 THR 6 1HG2 THR 6 1.372 -8.103 -3.687
39 HG23 THR 6 2HG2 THR 6 0.961 -7.849 -1.975
40 H LEU 7 H LEU 7 -2.953 -5.330 -3.967
41 HA LEU 7 HA LEU 7 -1.380 -2.991 -3.212
42 HB2 LEU 7 1HB LEU 7 -2.283 -1.921 -5.059
43 HB3 LEU 7 2HB LEU 7 -2.064 -3.595 -5.589
44 HG LEU 7 HG LEU 7 -4.687 -3.472 -4.570
45 HD11 LEU 7 1HD1 LEU 7 -5.695 -1.616 -5.863
46 HD12 LEU 7 2HD1 LEU 7 -4.570 -1.018 -4.621
47 HD13 LEU 7 3HD1 LEU 7 -4.069 -1.064 -6.328
48 HD21 LEU 7 3HD2 LEU 7 -3.921 -4.827 -6.467
49 HD22 LEU 7 1HD2 LEU 7 -5.321 -3.832 -6.930
50 HD23 LEU 7 2HD2 LEU 7 -3.684 -3.355 -7.439
51 H THR 8 H THR 8 -3.928 -4.500 -1.704
52 HA THR 8 HA THR 8 -5.284 -2.043 -0.864
53 HB THR 8 HB THR 8 -5.868 -4.991 -0.401
54 HG1 THR 8 1HG THR 8 -7.553 -4.506 -2.041
55 HG21 THR 8 3HG2 THR 8 -6.962 -3.595 1.320
56 HG22 THR 8 1HG2 THR 8 -8.149 -4.294 0.194
57 HG23 THR 8 2HG2 THR 8 -7.677 -2.584 0.042
58 H ARG 9 H ARG 9 -2.775 -4.201 0.154
59 HA ARG 9 HA ARG 9 -2.928 -3.264 2.940
60 HB2 ARG 9 1HB ARG 9 -1.173 -5.382 1.664
61 HB3 ARG 9 2HB ARG 9 -1.193 -4.954 3.387
62 HG2 ARG 9 2HG ARG 9 -3.663 -5.544 3.401
63 HG3 ARG 9 1HG ARG 9 -3.447 -6.178 1.754
64 HD2 ARG 9 1HD ARG 9 -3.011 -8.128 2.859
65 HD3 ARG 9 2HD ARG 9 -1.384 -7.424 3.016
66 HE ARG 9 HE ARG 9 -2.951 -6.464 5.145
67 HH11 ARG 9 2HH2 ARG 9 -1.458 -9.468 4.135
68 HH12 ARG 9 1HH2 ARG 9 -1.467 -10.164 5.725
69 HH21 ARG 9 2HH1 ARG 9 -2.958 -7.414 7.236
70 HH22 ARG 9 1HH1 ARG 9 -2.300 -8.999 7.448
71 H TRP 10 H TRP 10 -0.351 -3.558 0.330
72 HA TRP 10 HA TRP 10 1.443 -1.849 1.608
73 HB2 TRP 10 1HB TRP 10 2.610 -2.788 0.004
74 HB3 TRP 10 2HB TRP 10 1.154 -3.229 -0.900
75 HD1 TRP 10 HD TRP 10 0.689 -1.959 -3.061
76 HE1 TRP 10 1HE TRP 10 1.709 0.024 -4.277
77 HE3 TRP 10 3HE TRP 10 3.994 -0.545 0.486
78 HZ2 TRP 10 2HZ TRP 10 3.713 1.945 -3.779
79 HZ3 TRP 10 3HZ TRP 10 5.207 1.611 0.230
80 HH2 TRP 10 HH TRP 10 5.210 2.724 -1.989
81 H ALA 11 H ALA 11 -1.448 -1.055 -0.252
82 HA ALA 11 HA ALA 11 -0.910 1.742 -0.541
83 HB1 ALA 11 1HB ALA 11 -3.364 1.871 -0.995
84 HB2 ALA 11 2HB ALA 11 -3.470 0.130 -0.638
85 HB3 ALA 11 3HB ALA 11 -2.487 0.699 -2.010
86 H HIS 12 H HIS 12 -1.385 0.002 2.276
87 HA HIS 12 HA HIS 12 -2.648 2.220 3.734
88 HB2 HIS 12 1HB HIS 12 -3.776 0.246 4.153
89 HB3 HIS 12 2HB HIS 12 -2.313 -0.743 4.090
90 HD1 HIS 12 1HD HIS 12 -4.356 1.285 6.544
91 HD2 HIS 12 2HD HIS 12 -0.923 -0.997 6.338
92 HE1 HIS 12 1HE HIS 12 -3.482 1.087 8.934
93 HE2 HIS 12 2HE HIS 12 -1.403 -0.392 8.776
94 H TYR 13 H TYR 13 0.429 1.031 2.874
95 HA TYR 13 HA TYR 13 1.850 1.543 5.353
96 HB2 TYR 13 1HB TYR 13 2.182 0.063 2.968
97 HB3 TYR 13 2HB TYR 13 3.440 1.316 2.927
98 HD1 TYR 13 2HD TYR 13 4.901 1.605 5.028
99 HD2 TYR 13 1HD TYR 13 2.380 -1.806 4.352
100 HE1 TYR 13 2HE TYR 13 6.368 0.251 6.476
101 HE2 TYR 13 1HE TYR 13 3.843 -3.179 5.804
102 HH TYR 13 HH TYR 13 6.572 -1.664 7.582
103 H ASN 14 H ASN 14 2.596 2.726 2.059
104 HA ASN 14 HA ASN 14 3.532 5.258 2.830
105 HB2 ASN 14 2HB ASN 14 2.852 3.881 0.293
106 HB3 ASN 14 1HB ASN 14 2.911 5.653 0.257
107 HD21 ASN 14 2HD2 ASN 14 4.638 4.691 -1.289
108 HD22 ASN 14 1HD2 ASN 14 6.244 4.680 -0.607
109 H ALA 15 H ALA 15 0.258 4.237 2.762
110 HA ALA 15 HA ALA 15 -1.161 6.466 1.905
111 HB1 ALA 15 1HB ALA 15 -2.347 5.470 4.304
112 HB2 ALA 15 2HB ALA 15 -1.600 4.095 3.457
113 HB3 ALA 15 3HB ALA 15 -2.793 5.115 2.618
114 H LEU 16 H LEU 16 0.797 6.046 4.802
115 HA LEU 16 HA LEU 16 0.055 8.726 5.777
116 HB2 LEU 16 1HB LEU 16 1.180 6.292 7.097
117 HB3 LEU 16 2HB LEU 16 1.573 7.890 7.761
118 HG LEU 16 HG LEU 16 -1.028 8.265 7.552
119 HD11 LEU 16 1HD1 LEU 16 -1.518 6.120 6.433
120 HD12 LEU 16 2HD1 LEU 16 -2.367 6.274 7.990
121 HD13 LEU 16 3HD1 LEU 16 -0.919 5.246 7.863
122 HD21 LEU 16 3HD2 LEU 16 0.250 8.384 9.614
123 HD22 LEU 16 1HD2 LEU 16 -1.268 7.494 9.888
124 HD23 LEU 16 2HD2 LEU 16 0.269 6.608 9.738
125 H ILE 17 H ILE 17 2.807 6.848 4.503
126 HA ILE 17 HA ILE 17 4.734 8.960 4.968
127 HB ILE 17 HB ILE 17 5.036 6.518 3.190
128 HG12 ILE 17 1HG1 ILE 17 5.753 6.638 6.134
129 HG13 ILE 17 2HG1 ILE 17 4.198 6.000 5.579
130 HG21 ILE 17 1HG2 ILE 17 6.813 8.261 3.075
131 HG22 ILE 17 2HG2 ILE 17 7.036 8.135 4.835
132 HG23 ILE 17 3HG2 ILE 17 7.418 6.746 3.788
133 HD11 ILE 17 3HD1 ILE 17 5.386 4.254 4.277
134 HD12 ILE 17 1HD1 ILE 17 5.799 4.183 6.007
135 HD13 ILE 17 2HD1 ILE 17 6.944 4.900 4.849
136 H ARG 18 H ARG 18 2.158 8.931 3.006
137 HA ARG 18 HA ARG 18 1.382 10.188 1.390
138 HB2 ARG 18 1HB ARG 18 2.960 11.893 2.295
139 HB3 ARG 18 2HB ARG 18 4.144 11.375 1.083
140 HG2 ARG 18 1HG ARG 18 2.868 12.238 -0.701
141 HG3 ARG 18 2HG ARG 18 1.369 12.271 0.271
142 HD2 ARG 18 2HD ARG 18 2.271 14.000 1.717
143 HD3 ARG 18 1HD ARG 18 3.869 13.879 0.944
144 HE ARG 18 HE ARG 18 1.714 14.483 -0.887
145 HH11 ARG 18 2HH2 ARG 18 3.966 15.936 1.376
146 HH12 ARG 18 1HH2 ARG 18 3.994 17.474 0.579
147 HH21 ARG 18 2HH1 ARG 18 1.775 16.506 -1.929
148 HH22 ARG 18 1HH1 ARG 18 2.747 17.785 -1.282
149 H ALA 19 H ALA 19 4.670 9.217 0.496
150 HA ALA 19 HA ALA 19 4.142 7.293 -1.384
151 HB1 ALA 19 1HB ALA 19 3.168 8.997 -2.886
152 HB2 ALA 19 2HB ALA 19 4.694 8.356 -3.541
153 HB3 ALA 19 3HB ALA 19 4.662 9.958 -2.765
154 H PHE 20 H PHE 20 6.293 10.213 -1.364
155 HA PHE 20 HA PHE 20 8.529 10.442 -1.466
156 HB2 PHE 20 2HB PHE 20 8.517 10.300 0.842
157 HB3 PHE 20 1HB PHE 20 8.022 8.600 0.844
158 HD1 PHE 20 1HD PHE 20 10.941 10.860 0.196
159 HD2 PHE 20 2HD PHE 20 9.600 6.832 0.831
160 HE1 PHE 20 1HE PHE 20 13.290 10.123 0.478
161 HE2 PHE 20 2HE PHE 20 11.949 6.091 1.117
162 HZ PHE 20 HZ PHE 20 13.799 7.736 0.933
Start of MODEL 9
1 H1 HIS 1 H HIS 1 -6.099 -13.633 -7.060
2 HA HIS 1 HA HIS 1 -7.375 -12.839 -4.687
3 HB2 HIS 1 2HB HIS 1 -7.838 -15.099 -3.671
4 HB3 HIS 1 1HB HIS 1 -8.967 -14.547 -4.918
5 HD1 HIS 1 1HD HIS 1 -5.676 -16.381 -5.622
6 HD2 HIS 1 2HD HIS 1 -9.770 -16.779 -5.938
7 HE1 HIS 1 1HE HIS 1 -6.080 -18.348 -7.218
8 HE2 HIS 1 2HE HIS 1 -8.625 -18.539 -7.388
9 H GLY 2 H GLY 2 -5.170 -11.977 -4.980
10 HA2 GLY 2 2HA GLY 2 -3.294 -13.066 -3.190
11 HA3 GLY 2 1HA GLY 2 -2.811 -13.509 -4.845
12 H LEU 3 H LEU 3 -2.276 -11.909 -6.354
13 HA LEU 3 HA LEU 3 -1.002 -9.616 -5.402
14 HB2 LEU 3 1HB LEU 3 -0.576 -9.021 -7.666
15 HB3 LEU 3 2HB LEU 3 -0.396 -10.772 -7.480
16 HG LEU 3 HG LEU 3 -3.023 -9.674 -8.440
17 HD11 LEU 3 1HD1 LEU 3 -2.170 -9.693 -10.766
18 HD12 LEU 3 2HD1 LEU 3 -0.530 -10.010 -10.154
19 HD13 LEU 3 3HD1 LEU 3 -1.341 -8.473 -9.770
20 HD21 LEU 3 3HD2 LEU 3 -1.418 -12.160 -9.160
21 HD22 LEU 3 1HD2 LEU 3 -2.773 -12.099 -8.007
22 HD23 LEU 3 2HD2 LEU 3 -3.057 -11.768 -9.732
23 H ALA 4 H ALA 4 -4.248 -9.876 -6.903
24 HA ALA 4 HA ALA 4 -4.981 -7.245 -7.073
25 HB1 ALA 4 1HB ALA 4 -6.277 -9.196 -7.867
26 HB2 ALA 4 2HB ALA 4 -6.690 -9.595 -6.181
27 HB3 ALA 4 3HB ALA 4 -7.274 -8.077 -6.906
28 H SER 5 H SER 5 -4.455 -9.089 -4.179
29 HA SER 5 HA SER 5 -5.641 -7.045 -2.411
30 HB2 SER 5 2HB SER 5 -5.661 -9.886 -2.359
31 HB3 SER 5 1HB SER 5 -4.596 -9.355 -1.033
32 HG SER 5 HG SER 5 -6.765 -9.359 -0.279
33 H THR 6 H THR 6 -2.536 -8.701 -3.272
34 HA THR 6 HA THR 6 -0.837 -7.661 -1.429
35 HB THR 6 HB THR 6 -0.308 -7.922 -4.406
36 HG1 THR 6 1HG THR 6 0.298 -10.149 -3.704
37 HG21 THR 6 3HG2 THR 6 1.542 -8.284 -2.013
38 HG22 THR 6 1HG2 THR 6 1.970 -8.563 -3.718
39 HG23 THR 6 2HG2 THR 6 1.579 -6.920 -3.157
40 H LEU 7 H LEU 7 -2.406 -5.867 -4.075
41 HA LEU 7 HA LEU 7 -0.919 -3.436 -3.492
42 HB2 LEU 7 2HB LEU 7 -2.958 -4.312 -5.499
43 HB3 LEU 7 1HB LEU 7 -2.730 -2.576 -5.190
44 HG LEU 7 HG LEU 7 -0.231 -4.148 -5.512
45 HD11 LEU 7 1HD1 LEU 7 -0.420 -4.207 -7.980
46 HD12 LEU 7 2HD1 LEU 7 -1.656 -5.231 -7.210
47 HD13 LEU 7 3HD1 LEU 7 -2.102 -3.636 -7.862
48 HD21 LEU 7 3HD2 LEU 7 -1.279 -1.542 -6.699
49 HD22 LEU 7 1HD2 LEU 7 0.389 -2.147 -6.836
50 HD23 LEU 7 2HD2 LEU 7 -0.264 -1.693 -5.244
51 H THR 8 H THR 8 -3.386 -4.935 -1.852
52 HA THR 8 HA THR 8 -4.732 -2.465 -1.015
53 HB THR 8 HB THR 8 -5.341 -5.406 -0.533
54 HG1 THR 8 1HG THR 8 -7.048 -4.892 -2.166
55 HG21 THR 8 3HG2 THR 8 -7.118 -2.970 -0.108
56 HG22 THR 8 1HG2 THR 8 -7.611 -4.672 0.069
57 HG23 THR 8 2HG2 THR 8 -6.405 -3.974 1.177
58 H ARG 9 H ARG 9 -2.258 -4.703 -0.036
59 HA ARG 9 HA ARG 9 -2.357 -3.902 2.766
60 HB2 ARG 9 1HB ARG 9 -0.626 -5.834 1.211
61 HB3 ARG 9 2HB ARG 9 -0.353 -5.442 2.924
62 HG2 ARG 9 1HG ARG 9 -3.049 -5.957 2.913
63 HG3 ARG 9 2HG ARG 9 -2.473 -7.085 1.662
64 HD2 ARG 9 1HD ARG 9 -0.895 -8.092 3.192
65 HD3 ARG 9 2HD ARG 9 -1.196 -6.833 4.416
66 HE ARG 9 HE ARG 9 -2.842 -9.135 3.786
67 HH11 ARG 9 2HH2 ARG 9 -2.980 -5.942 5.312
68 HH12 ARG 9 1HH2 ARG 9 -4.386 -6.340 6.240
69 HH21 ARG 9 2HH1 ARG 9 -4.680 -9.566 5.013
70 HH22 ARG 9 1HH1 ARG 9 -5.327 -8.351 6.061
71 H TRP 10 H TRP 10 0.167 -3.780 0.127
72 HA TRP 10 HA TRP 10 1.883 -2.049 1.497
73 HB2 TRP 10 1HB TRP 10 3.057 -2.799 -0.205
74 HB3 TRP 10 2HB TRP 10 1.603 -3.268 -1.098
75 HD1 TRP 10 HD TRP 10 0.881 -1.786 -3.081
76 HE1 TRP 10 1HE TRP 10 1.786 0.309 -4.194
77 HE3 TRP 10 3HE TRP 10 4.451 -0.642 0.301
78 HZ2 TRP 10 2HZ TRP 10 3.810 2.214 -3.686
79 HZ3 TRP 10 3HZ TRP 10 5.644 1.529 0.132
80 HH2 TRP 10 HH TRP 10 5.374 2.920 -1.904
81 H ALA 11 H ALA 11 -1.083 -1.365 -0.256
82 HA ALA 11 HA ALA 11 -0.858 1.468 -0.418
83 HB1 ALA 11 1HB ALA 11 -3.404 1.235 -0.647
84 HB2 ALA 11 2HB ALA 11 -3.127 -0.521 -0.560
85 HB3 ALA 11 3HB ALA 11 -2.390 0.433 -1.870
86 H HIS 12 H HIS 12 -1.090 -0.487 2.337
87 HA HIS 12 HA HIS 12 -2.388 1.627 3.936
88 HB2 HIS 12 1HB HIS 12 -2.314 -1.328 3.981
89 HB3 HIS 12 2HB HIS 12 -2.114 -0.555 5.567
90 HD1 HIS 12 1HD HIS 12 -4.157 0.865 6.412
91 HD2 HIS 12 2HD HIS 12 -4.753 -1.091 2.825
92 HE1 HIS 12 1HE HIS 12 -6.681 0.909 5.985
93 HE2 HIS 12 2HE HIS 12 -7.006 -0.322 3.767
94 H TYR 13 H TYR 13 0.583 1.007 2.892
95 HA TYR 13 HA TYR 13 1.959 1.580 5.447
96 HB2 TYR 13 1HB TYR 13 2.650 0.062 2.987
97 HB3 TYR 13 2HB TYR 13 3.956 1.024 3.709
98 HD1 TYR 13 1HD TYR 13 3.486 0.835 6.590
99 HD2 TYR 13 2HD TYR 13 3.001 -2.127 3.515
100 HE1 TYR 13 1HE TYR 13 4.131 -0.920 8.196
101 HE2 TYR 13 2HE TYR 13 3.680 -3.890 5.102
102 HH TYR 13 HH TYR 13 4.027 -4.383 7.241
103 H ASN 14 H ASN 14 2.538 2.267 1.948
104 HA ASN 14 HA ASN 14 3.904 4.651 2.300
105 HB2 ASN 14 2HB ASN 14 3.963 3.528 0.187
106 HB3 ASN 14 1HB ASN 14 2.211 3.730 -0.030
107 HD21 ASN 14 2HD2 ASN 14 5.101 5.849 0.695
108 HD22 ASN 14 1HD2 ASN 14 4.539 7.110 -0.352
109 H ALA 15 H ALA 15 0.461 4.129 2.726
110 HA ALA 15 HA ALA 15 -0.630 6.642 2.369
111 HB1 ALA 15 1HB ALA 15 -2.195 5.927 4.157
112 HB2 ALA 15 2HB ALA 15 -1.091 4.591 4.564
113 HB3 ALA 15 3HB ALA 15 -1.882 4.637 2.970
114 H LEU 16 H LEU 16 1.654 5.597 4.874
115 HA LEU 16 HA LEU 16 1.510 8.216 6.218
116 HB2 LEU 16 2HB LEU 16 2.038 5.507 7.080
117 HB3 LEU 16 1HB LEU 16 3.401 6.569 7.493
118 HG LEU 16 HG LEU 16 1.475 8.198 8.269
119 HD11 LEU 16 1HD1 LEU 16 -0.427 7.008 9.293
120 HD12 LEU 16 2HD1 LEU 16 0.137 5.488 8.556
121 HD13 LEU 16 3HD1 LEU 16 -0.403 6.832 7.521
122 HD21 LEU 16 3HD2 LEU 16 3.257 7.354 9.689
123 HD22 LEU 16 1HD2 LEU 16 1.703 7.288 10.554
124 HD23 LEU 16 2HD2 LEU 16 2.408 5.801 9.877
125 H ILE 17 H ILE 17 3.561 6.333 4.074
126 HA ILE 17 HA ILE 17 5.947 7.988 4.560
127 HB ILE 17 HB ILE 17 5.667 5.711 2.571
128 HG12 ILE 17 1HG1 ILE 17 6.755 5.389 5.379
129 HG13 ILE 17 2HG1 ILE 17 5.056 5.056 5.006
130 HG21 ILE 17 1HG2 ILE 17 7.646 7.215 2.394
131 HG22 ILE 17 2HG2 ILE 17 8.051 6.862 4.090
132 HG23 ILE 17 3HG2 ILE 17 8.109 5.564 2.873
133 HD11 ILE 17 3HD1 ILE 17 5.763 3.325 3.372
134 HD12 ILE 17 1HD1 ILE 17 6.388 2.984 5.003
135 HD13 ILE 17 2HD1 ILE 17 7.465 3.664 3.760
136 H ARG 18 H ARG 18 3.125 8.526 3.019
137 HA ARG 18 HA ARG 18 4.339 10.037 0.772
138 HB2 ARG 18 2HB ARG 18 2.747 7.950 0.408
139 HB3 ARG 18 1HB ARG 18 1.480 9.077 0.926
140 HG2 ARG 18 1HG ARG 18 3.077 10.416 -1.032
141 HG3 ARG 18 2HG ARG 18 2.672 8.803 -1.664
142 HD2 ARG 18 2HD ARG 18 0.254 9.326 -0.859
143 HD3 ARG 18 1HD ARG 18 0.803 11.020 -0.781
144 HE ARG 18 HE ARG 18 1.599 9.886 -3.246
145 HH11 ARG 18 2HH2 ARG 18 -1.368 10.957 -1.705
146 HH12 ARG 18 1HH2 ARG 18 -2.195 11.238 -3.202
147 HH21 ARG 18 2HH1 ARG 18 0.483 10.266 -5.194
148 HH22 ARG 18 1HH1 ARG 18 -1.144 10.855 -5.146
149 H ALA 19 H ALA 19 3.876 12.082 0.704
150 HA ALA 19 HA ALA 19 1.655 13.464 1.739
151 HB1 ALA 19 1HB ALA 19 2.647 13.009 3.971
152 HB2 ALA 19 2HB ALA 19 4.158 13.791 3.447
153 HB3 ALA 19 3HB ALA 19 2.662 14.745 3.579
154 H PHE 20 H PHE 20 5.213 13.840 1.392
155 HA PHE 20 HA PHE 20 4.855 16.332 -0.146
156 HB2 PHE 20 2HB PHE 20 6.489 15.840 1.894
157 HB3 PHE 20 1HB PHE 20 7.500 15.126 0.625
158 HD1 PHE 20 2HD PHE 20 8.075 16.648 -1.444
159 HD2 PHE 20 1HD PHE 20 6.578 18.124 2.302
160 HE1 PHE 20 2HE PHE 20 8.739 18.927 -2.087
161 HE2 PHE 20 1HE PHE 20 7.424 20.381 1.736
162 HZ PHE 20 HZ PHE 20 8.495 20.795 -0.465
Start of MODEL 10
1 H1 HIS 1 H HIS 1 -6.515 -12.968 -7.634
2 HA HIS 1 HA HIS 1 -7.458 -11.788 -5.252
3 HB2 HIS 1 1HB HIS 1 -9.260 -13.576 -5.836
4 HB3 HIS 1 2HB HIS 1 -8.078 -14.733 -5.211
5 HD1 HIS 1 1HD HIS 1 -10.210 -15.025 -3.411
6 HD2 HIS 1 2HD HIS 1 -7.980 -11.559 -3.209
7 HE1 HIS 1 1HE HIS 1 -10.843 -13.894 -1.213
8 HE2 HIS 1 2HE HIS 1 -9.452 -11.750 -1.134
9 H GLY 2 H GLY 2 -5.275 -11.281 -5.163
10 HA2 GLY 2 1HA GLY 2 -3.585 -12.885 -3.608
11 HA3 GLY 2 2HA GLY 2 -3.111 -13.095 -5.307
12 H LEU 3 H LEU 3 -2.176 -11.361 -6.461
13 HA LEU 3 HA LEU 3 -0.840 -9.373 -5.032
14 HB2 LEU 3 2HB LEU 3 -0.101 -8.490 -7.097
15 HB3 LEU 3 1HB LEU 3 -0.188 -10.251 -7.263
16 HG LEU 3 HG LEU 3 -2.664 -8.915 -8.076
17 HD11 LEU 3 1HD1 LEU 3 -1.739 -7.952 -10.161
18 HD12 LEU 3 2HD1 LEU 3 -1.111 -7.129 -8.713
19 HD13 LEU 3 3HD1 LEU 3 -0.093 -8.303 -9.581
20 HD21 LEU 3 3HD2 LEU 3 -0.739 -10.798 -9.490
21 HD22 LEU 3 1HD2 LEU 3 -2.371 -10.366 -10.054
22 HD23 LEU 3 2HD2 LEU 3 -2.165 -11.275 -8.538
23 H ALA 4 H ALA 4 -4.023 -9.135 -6.674
24 HA ALA 4 HA ALA 4 -4.501 -6.441 -6.454
25 HB1 ALA 4 1HB ALA 4 -5.971 -8.101 -7.543
26 HB2 ALA 4 2HB ALA 4 -6.458 -8.707 -5.942
27 HB3 ALA 4 3HB ALA 4 -6.868 -7.044 -6.428
28 H SER 5 H SER 5 -4.238 -8.755 -3.848
29 HA SER 5 HA SER 5 -5.332 -6.931 -1.823
30 HB2 SER 5 1HB SER 5 -6.030 -9.317 -1.804
31 HB3 SER 5 2HB SER 5 -4.329 -9.791 -1.583
32 HG SER 5 HG SER 5 -5.439 -9.652 0.467
33 H THR 6 H THR 6 -2.242 -8.164 -3.099
34 HA THR 6 HA THR 6 -0.586 -7.502 -0.917
35 HB THR 6 HB THR 6 -0.093 -8.845 -3.109
36 HG1 THR 6 1HG THR 6 2.210 -8.339 -2.629
37 HG21 THR 6 3HG2 THR 6 0.476 -7.755 -4.979
38 HG22 THR 6 1HG2 THR 6 1.777 -6.931 -4.084
39 HG23 THR 6 2HG2 THR 6 0.163 -6.189 -4.193
40 H LEU 7 H LEU 7 -2.141 -5.508 -3.347
41 HA LEU 7 HA LEU 7 -0.656 -3.127 -2.564
42 HB2 LEU 7 2HB LEU 7 -1.404 -2.189 -4.471
43 HB3 LEU 7 1HB LEU 7 -1.539 -3.889 -4.925
44 HG LEU 7 HG LEU 7 -4.030 -3.406 -3.891
45 HD11 LEU 7 1HD1 LEU 7 -3.539 -0.990 -3.665
46 HD12 LEU 7 2HD1 LEU 7 -4.824 -1.292 -4.859
47 HD13 LEU 7 3HD1 LEU 7 -3.174 -0.908 -5.405
48 HD21 LEU 7 3HD2 LEU 7 -4.782 -3.411 -6.225
49 HD22 LEU 7 1HD2 LEU 7 -3.469 -4.588 -5.986
50 HD23 LEU 7 2HD2 LEU 7 -3.131 -3.027 -6.770
51 H THR 8 H THR 8 -3.156 -4.823 -1.093
52 HA THR 8 HA THR 8 -4.586 -2.443 -0.158
53 HB THR 8 HB THR 8 -5.075 -5.418 0.250
54 HG1 THR 8 1HG THR 8 -6.747 -4.971 -1.424
55 HG21 THR 8 3HG2 THR 8 -6.241 -4.044 1.945
56 HG22 THR 8 1HG2 THR 8 -7.387 -4.779 0.798
57 HG23 THR 8 2HG2 THR 8 -6.959 -3.058 0.647
58 H ARG 9 H ARG 9 -2.010 -4.526 0.750
59 HA ARG 9 HA ARG 9 -2.129 -3.808 3.596
60 HB2 ARG 9 1HB ARG 9 -0.565 -5.819 1.951
61 HB3 ARG 9 2HB ARG 9 -0.203 -5.487 3.661
62 HG2 ARG 9 2HG ARG 9 -3.043 -6.081 2.850
63 HG3 ARG 9 1HG ARG 9 -1.885 -7.422 2.990
64 HD2 ARG 9 1HD ARG 9 -1.919 -5.464 5.249
65 HD3 ARG 9 2HD ARG 9 -3.347 -6.518 5.086
66 HE ARG 9 HE ARG 9 -0.613 -7.307 5.742
67 HH11 ARG 9 2HH2 ARG 9 -3.729 -8.463 4.625
68 HH12 ARG 9 1HH2 ARG 9 -3.432 -10.114 5.066
69 HH21 ARG 9 2HH1 ARG 9 -0.241 -9.505 6.302
70 HH22 ARG 9 1HH1 ARG 9 -1.476 -10.680 6.000
71 H TRP 10 H TRP 10 0.401 -3.866 0.944
72 HA TRP 10 HA TRP 10 2.174 -2.178 2.269
73 HB2 TRP 10 2HB TRP 10 3.339 -3.039 0.611
74 HB3 TRP 10 1HB TRP 10 1.878 -3.429 -0.305
75 HD1 TRP 10 HD TRP 10 1.339 -2.042 -2.356
76 HE1 TRP 10 1HE TRP 10 2.351 -0.025 -3.516
77 HE3 TRP 10 3HE TRP 10 4.769 -0.830 1.140
78 HZ2 TRP 10 2HZ TRP 10 4.397 1.851 -2.995
79 HZ3 TRP 10 3HZ TRP 10 6.021 1.305 0.936
80 HH2 TRP 10 HH TRP 10 5.891 2.603 -1.172
81 H ALA 11 H ALA 11 -0.746 -1.351 0.453
82 HA ALA 11 HA ALA 11 -0.218 1.465 0.273
83 HB1 ALA 11 1HB ALA 11 -2.609 1.638 -0.296
84 HB2 ALA 11 2HB ALA 11 -2.809 -0.090 0.081
85 HB3 ALA 11 3HB ALA 11 -1.761 0.411 -1.268
86 H HIS 12 H HIS 12 -0.682 -0.365 3.010
87 HA HIS 12 HA HIS 12 -1.977 1.842 4.490
88 HB2 HIS 12 1HB HIS 12 -2.041 -1.099 4.598
89 HB3 HIS 12 2HB HIS 12 -1.782 -0.337 6.178
90 HD1 HIS 12 1HD HIS 12 -3.959 -0.013 7.320
91 HD2 HIS 12 2HD HIS 12 -4.292 0.414 3.231
92 HE1 HIS 12 1HE HIS 12 -6.408 0.560 6.861
93 HE2 HIS 12 2HE HIS 12 -6.573 0.813 4.321
94 H TYR 13 H TYR 13 0.994 1.143 3.536
95 HA TYR 13 HA TYR 13 2.332 1.717 6.109
96 HB2 TYR 13 1HB TYR 13 2.954 0.132 3.698
97 HB3 TYR 13 2HB TYR 13 4.298 1.144 4.268
98 HD1 TYR 13 2HD TYR 13 4.491 1.137 6.972
99 HD2 TYR 13 1HD TYR 13 2.905 -2.024 4.534
100 HE1 TYR 13 2HE TYR 13 5.262 -0.506 8.633
101 HE2 TYR 13 1HE TYR 13 3.656 -3.688 6.209
102 HH TYR 13 HH TYR 13 5.126 -2.608 9.309
103 H ASN 14 H ASN 14 2.891 2.421 2.636
104 HA ASN 14 HA ASN 14 4.297 4.866 2.998
105 HB2 ASN 14 2HB ASN 14 4.021 5.055 0.568
106 HB3 ASN 14 1HB ASN 14 4.536 3.420 1.030
107 HD21 ASN 14 2HD2 ASN 14 2.438 5.097 -0.938
108 HD22 ASN 14 1HD2 ASN 14 1.208 3.860 -1.089
109 H ALA 15 H ALA 15 0.929 4.133 3.304
110 HA ALA 15 HA ALA 15 -0.408 6.405 2.489
111 HB1 ALA 15 1HB ALA 15 -1.418 4.363 3.453
112 HB2 ALA 15 2HB ALA 15 -0.763 4.799 5.050
113 HB3 ALA 15 3HB ALA 15 -1.990 5.833 4.279
114 H LEU 16 H LEU 16 1.846 6.024 5.192
115 HA LEU 16 HA LEU 16 1.413 8.826 6.011
116 HB2 LEU 16 2HB LEU 16 1.765 6.455 7.450
117 HB3 LEU 16 1HB LEU 16 3.317 7.295 7.583
118 HG LEU 16 HG LEU 16 1.840 7.820 9.446
119 HD11 LEU 16 1HD1 LEU 16 3.464 9.519 8.693
120 HD12 LEU 16 2HD1 LEU 16 2.202 10.255 7.677
121 HD13 LEU 16 3HD1 LEU 16 2.021 10.236 9.448
122 HD21 LEU 16 3HD2 LEU 16 -0.045 9.081 7.435
123 HD22 LEU 16 1HD2 LEU 16 -0.321 7.541 8.284
124 HD23 LEU 16 2HD2 LEU 16 -0.226 9.061 9.205
125 H ILE 17 H ILE 17 3.859 6.638 4.598
126 HA ILE 17 HA ILE 17 5.972 8.602 4.671
127 HB ILE 17 HB ILE 17 5.865 6.037 3.046
128 HG12 ILE 17 1HG1 ILE 17 6.962 6.245 5.860
129 HG13 ILE 17 2HG1 ILE 17 5.279 5.778 5.568
130 HG21 ILE 17 1HG2 ILE 17 7.761 7.598 2.619
131 HG22 ILE 17 2HG2 ILE 17 8.308 6.078 3.368
132 HG23 ILE 17 3HG2 ILE 17 8.171 7.556 4.351
133 HD11 ILE 17 3HD1 ILE 17 6.058 3.832 4.239
134 HD12 ILE 17 1HD1 ILE 17 6.705 3.798 5.897
135 HD13 ILE 17 2HD1 ILE 17 7.745 4.307 4.546
136 H ARG 18 H ARG 18 3.192 8.745 2.977
137 HA ARG 18 HA ARG 18 2.398 9.664 1.136
138 HB2 ARG 18 1HB ARG 18 4.967 11.126 1.325
139 HB3 ARG 18 2HB ARG 18 4.179 11.117 -0.265
140 HG2 ARG 18 2HG ARG 18 2.096 11.968 0.767
141 HG3 ARG 18 1HG ARG 18 2.892 11.973 2.356
142 HD2 ARG 18 2HD ARG 18 3.050 14.210 1.618
143 HD3 ARG 18 1HD ARG 18 4.649 13.515 1.295
144 HE ARG 18 HE ARG 18 2.973 13.275 -1.003
145 HH11 ARG 18 2HH2 ARG 18 5.071 15.534 0.658
146 HH12 ARG 18 1HH2 ARG 18 5.241 16.584 -0.712
147 HH21 ARG 18 2HH1 ARG 18 3.235 14.675 -2.797
148 HH22 ARG 18 1HH1 ARG 18 4.197 16.102 -2.626
149 H ALA 19 H ALA 19 1.844 8.179 -0.321
150 HA ALA 19 HA ALA 19 3.464 6.414 -1.690
151 HB1 ALA 19 1HB ALA 19 1.139 7.667 -3.133
152 HB2 ALA 19 2HB ALA 19 0.843 6.768 -1.626
153 HB3 ALA 19 3HB ALA 19 1.612 5.956 -3.011
154 H PHE 20 H PHE 20 2.527 9.712 -2.718
155 HA PHE 20 HA PHE 20 4.408 9.616 -4.988
156 HB2 PHE 20 1HB PHE 20 1.820 10.376 -4.838
157 HB3 PHE 20 2HB PHE 20 2.588 11.926 -4.454
158 HD1 PHE 20 2HD PHE 20 4.896 12.182 -6.210
159 HD2 PHE 20 1HD PHE 20 1.114 10.277 -6.961
160 HE1 PHE 20 2HE PHE 20 5.205 12.517 -8.637
161 HE2 PHE 20 1HE PHE 20 1.441 10.591 -9.396
162 HZ PHE 20 HZ PHE 20 3.470 11.747 -10.235
Start of MODEL 11
1 H1 HIS 1 H HIS 1 -7.056 -14.032 -7.829
2 HA HIS 1 HA HIS 1 -7.638 -11.966 -6.015
3 HB2 HIS 1 1HB HIS 1 -8.434 -13.167 -4.052
4 HB3 HIS 1 2HB HIS 1 -9.599 -13.229 -5.381
5 HD1 HIS 1 1HD HIS 1 -8.722 -15.375 -2.839
6 HD2 HIS 1 2HD HIS 1 -8.765 -15.793 -6.942
7 HE1 HIS 1 1HE HIS 1 -8.814 -17.882 -3.301
8 HE2 HIS 1 2HE HIS 1 -8.864 -18.097 -5.850
9 H GLY 2 H GLY 2 -5.580 -11.397 -5.693
10 HA2 GLY 2 2HA GLY 2 -3.837 -12.857 -4.029
11 HA3 GLY 2 1HA GLY 2 -3.366 -13.140 -5.718
12 H LEU 3 H LEU 3 -2.569 -11.429 -6.998
13 HA LEU 3 HA LEU 3 -1.223 -9.349 -5.711
14 HB2 LEU 3 2HB LEU 3 -0.618 -8.518 -7.848
15 HB3 LEU 3 1HB LEU 3 -0.618 -10.288 -7.917
16 HG LEU 3 HG LEU 3 -3.151 -8.971 -8.730
17 HD11 LEU 3 1HD1 LEU 3 -2.261 -8.396 -10.969
18 HD12 LEU 3 2HD1 LEU 3 -0.619 -8.791 -10.410
19 HD13 LEU 3 3HD1 LEU 3 -1.499 -7.425 -9.686
20 HD21 LEU 3 3HD2 LEU 3 -3.078 -10.707 -10.474
21 HD22 LEU 3 1HD2 LEU 3 -2.808 -11.418 -8.864
22 HD23 LEU 3 2HD2 LEU 3 -1.433 -11.162 -9.965
23 H ALA 4 H ALA 4 -4.459 -9.250 -7.277
24 HA ALA 4 HA ALA 4 -5.009 -6.570 -7.108
25 HB1 ALA 4 1HB ALA 4 -6.454 -8.298 -8.122
26 HB2 ALA 4 2HB ALA 4 -6.894 -8.872 -6.495
27 HB3 ALA 4 3HB ALA 4 -7.356 -7.233 -7.016
28 H SER 5 H SER 5 -4.585 -8.784 -4.453
29 HA SER 5 HA SER 5 -5.713 -6.936 -2.460
30 HB2 SER 5 2HB SER 5 -6.023 -9.604 -2.677
31 HB3 SER 5 1HB SER 5 -4.529 -9.570 -1.708
32 HG SER 5 HG SER 5 -6.416 -9.496 -0.336
33 H THR 6 H THR 6 -2.625 -8.163 -3.745
34 HA THR 6 HA THR 6 -0.936 -7.423 -1.617
35 HB THR 6 HB THR 6 -0.469 -8.822 -3.778
36 HG1 THR 6 1HG THR 6 1.839 -8.257 -3.377
37 HG21 THR 6 3HG2 THR 6 -0.275 -6.194 -4.948
38 HG22 THR 6 1HG2 THR 6 1.346 -6.924 -4.867
39 HG23 THR 6 2HG2 THR 6 0.025 -7.781 -5.696
40 H LEU 7 H LEU 7 -2.545 -5.506 -4.089
41 HA LEU 7 HA LEU 7 -1.058 -3.100 -3.383
42 HB2 LEU 7 2HB LEU 7 -1.989 -2.124 -5.248
43 HB3 LEU 7 1HB LEU 7 -1.829 -3.818 -5.725
44 HG LEU 7 HG LEU 7 -4.398 -3.691 -4.675
45 HD11 LEU 7 1HD1 LEU 7 -5.453 -1.784 -5.852
46 HD12 LEU 7 2HD1 LEU 7 -3.844 -1.201 -6.339
47 HD13 LEU 7 3HD1 LEU 7 -4.294 -1.235 -4.617
48 HD21 LEU 7 3HD2 LEU 7 -5.105 -3.974 -7.011
49 HD22 LEU 7 1HD2 LEU 7 -3.644 -4.935 -6.673
50 HD23 LEU 7 2HD2 LEU 7 -3.513 -3.404 -7.572
51 H THR 8 H THR 8 -3.511 -4.753 -1.843
52 HA THR 8 HA THR 8 -4.948 -2.369 -0.930
53 HB THR 8 HB THR 8 -5.454 -5.321 -0.398
54 HG1 THR 8 1HG THR 8 -7.019 -5.056 -2.180
55 HG21 THR 8 3HG2 THR 8 -7.324 -2.918 -0.283
56 HG22 THR 8 1HG2 THR 8 -7.782 -4.614 -0.000
57 HG23 THR 8 2HG2 THR 8 -6.673 -3.792 1.125
58 H ARG 9 H ARG 9 -2.373 -4.462 -0.012
59 HA ARG 9 HA ARG 9 -2.471 -3.765 2.832
60 HB2 ARG 9 2HB ARG 9 -0.816 -5.664 1.141
61 HB3 ARG 9 1HB ARG 9 -0.484 -5.359 2.860
62 HG2 ARG 9 1HG ARG 9 -3.306 -6.021 2.146
63 HG3 ARG 9 2HG ARG 9 -2.122 -7.337 1.999
64 HD2 ARG 9 2HD ARG 9 -1.888 -5.756 4.497
65 HD3 ARG 9 1HD ARG 9 -3.416 -6.660 4.331
66 HE ARG 9 HE ARG 9 -1.424 -8.396 3.516
67 HH11 ARG 9 2HH2 ARG 9 -1.988 -6.707 6.547
68 HH12 ARG 9 1HH2 ARG 9 -1.342 -7.990 7.516
69 HH21 ARG 9 2HH1 ARG 9 -0.587 -10.050 4.825
70 HH22 ARG 9 1HH1 ARG 9 -0.554 -9.844 6.543
71 H TRP 10 H TRP 10 0.043 -3.650 0.156
72 HA TRP 10 HA TRP 10 1.736 -1.885 1.491
73 HB2 TRP 10 1HB TRP 10 2.920 -2.662 -0.189
74 HB3 TRP 10 2HB TRP 10 1.473 -3.137 -1.090
75 HD1 TRP 10 HD TRP 10 0.821 -1.726 -3.126
76 HE1 TRP 10 1HE TRP 10 1.729 0.354 -4.261
77 HE3 TRP 10 3HE TRP 10 4.276 -0.463 0.325
78 HZ2 TRP 10 2HZ TRP 10 3.713 2.296 -3.746
79 HZ3 TRP 10 3HZ TRP 10 5.460 1.715 0.129
80 HH2 TRP 10 HH TRP 10 5.228 3.055 -1.940
81 H ALA 11 H ALA 11 -1.228 -1.198 -0.279
82 HA ALA 11 HA ALA 11 -0.930 1.636 -0.457
83 HB1 ALA 11 1HB ALA 11 -3.437 1.542 -0.775
84 HB2 ALA 11 2HB ALA 11 -2.472 0.580 -1.919
85 HB3 ALA 11 3HB ALA 11 -3.313 -0.223 -0.572
86 H HIS 12 H HIS 12 -1.222 -0.267 2.299
87 HA HIS 12 HA HIS 12 -2.580 1.804 3.887
88 HB2 HIS 12 2HB HIS 12 -3.565 -0.291 4.193
89 HB3 HIS 12 1HB HIS 12 -2.018 -1.140 4.103
90 HD1 HIS 12 1HD HIS 12 -4.213 0.608 6.642
91 HD2 HIS 12 2HD HIS 12 -0.624 -1.404 6.326
92 HE1 HIS 12 1HE HIS 12 -3.314 0.371 9.019
93 HE2 HIS 12 2HE HIS 12 -1.131 -0.944 8.792
94 H TYR 13 H TYR 13 0.541 0.917 2.886
95 HA TYR 13 HA TYR 13 1.878 1.561 5.432
96 HB2 TYR 13 2HB TYR 13 2.222 -0.467 3.685
97 HB3 TYR 13 1HB TYR 13 3.313 0.725 2.942
98 HD1 TYR 13 2HD TYR 13 2.588 -1.287 5.910
99 HD2 TYR 13 1HD TYR 13 5.342 1.503 4.154
100 HE1 TYR 13 2HE TYR 13 4.328 -2.038 7.484
101 HE2 TYR 13 1HE TYR 13 7.088 0.788 5.758
102 HH TYR 13 HH TYR 13 6.316 -1.588 8.343
103 H ASN 14 H ASN 14 2.606 2.208 1.942
104 HA ASN 14 HA ASN 14 3.804 4.702 2.286
105 HB2 ASN 14 1HB ASN 14 4.042 3.451 0.244
106 HB3 ASN 14 2HB ASN 14 2.301 3.563 -0.084
107 HD21 ASN 14 2HD2 ASN 14 1.486 5.368 -1.083
108 HD22 ASN 14 1HD2 ASN 14 2.476 6.734 -1.517
109 H ALA 15 H ALA 15 0.430 3.993 2.773
110 HA ALA 15 HA ALA 15 -0.878 6.292 1.932
111 HB1 ALA 15 1HB ALA 15 -2.406 5.811 3.823
112 HB2 ALA 15 2HB ALA 15 -1.210 4.666 4.478
113 HB3 ALA 15 3HB ALA 15 -1.980 4.347 2.905
114 H LEU 16 H LEU 16 1.467 5.924 4.541
115 HA LEU 16 HA LEU 16 1.109 8.731 5.376
116 HB2 LEU 16 2HB LEU 16 1.554 6.321 6.782
117 HB3 LEU 16 1HB LEU 16 3.062 7.252 6.898
118 HG LEU 16 HG LEU 16 0.343 8.470 7.473
119 HD11 LEU 16 1HD1 LEU 16 0.730 6.541 8.978
120 HD12 LEU 16 2HD1 LEU 16 0.805 8.086 9.858
121 HD13 LEU 16 3HD1 LEU 16 2.306 7.226 9.440
122 HD21 LEU 16 3HD2 LEU 16 3.163 9.274 8.304
123 HD22 LEU 16 1HD2 LEU 16 2.200 10.055 7.029
124 HD23 LEU 16 2HD2 LEU 16 1.662 10.133 8.723
125 H ILE 17 H ILE 17 3.471 6.515 3.855
126 HA ILE 17 HA ILE 17 5.614 8.466 3.824
127 HB ILE 17 HB ILE 17 5.382 5.852 2.327
128 HG12 ILE 17 1HG1 ILE 17 4.935 5.261 4.583
129 HG13 ILE 17 2HG1 ILE 17 6.569 4.738 4.164
130 HG21 ILE 17 1HG2 ILE 17 7.253 7.329 1.656
131 HG22 ILE 17 2HG2 ILE 17 7.871 7.260 3.324
132 HG23 ILE 17 3HG2 ILE 17 7.791 5.777 2.343
133 HD11 ILE 17 3HD1 ILE 17 5.846 7.148 5.881
134 HD12 ILE 17 1HD1 ILE 17 6.474 5.588 6.463
135 HD13 ILE 17 2HD1 ILE 17 7.499 6.642 5.458
136 H ARG 18 H ARG 18 2.762 8.481 2.225
137 HA ARG 18 HA ARG 18 3.574 9.010 -0.484
138 HB2 ARG 18 1HB ARG 18 1.310 8.090 0.391
139 HB3 ARG 18 2HB ARG 18 0.948 9.774 0.837
140 HG2 ARG 18 2HG ARG 18 1.692 10.313 -1.618
141 HG3 ARG 18 1HG ARG 18 1.417 8.582 -1.899
142 HD2 ARG 18 1HD ARG 18 -0.856 8.787 -1.774
143 HD3 ARG 18 2HD ARG 18 -0.778 10.028 -0.497
144 HE ARG 18 HE ARG 18 -0.596 11.676 -2.090
145 HH11 ARG 18 2HH2 ARG 18 -0.301 8.620 -3.815
146 HH12 ARG 18 1HH2 ARG 18 -0.406 9.367 -5.378
147 HH21 ARG 18 2HH1 ARG 18 -0.735 12.593 -4.149
148 HH22 ARG 18 1HH1 ARG 18 -0.656 11.583 -5.551
149 H ALA 19 H ALA 19 3.617 10.975 -1.511
150 HA ALA 19 HA ALA 19 4.188 13.112 -1.843
151 HB1 ALA 19 1HB ALA 19 2.865 14.861 -0.695
152 HB2 ALA 19 2HB ALA 19 1.851 13.538 -1.317
153 HB3 ALA 19 3HB ALA 19 2.228 13.627 0.419
154 H PHE 20 H PHE 20 6.135 11.888 -0.824
155 HA PHE 20 HA PHE 20 7.280 13.616 1.296
156 HB2 PHE 20 2HB PHE 20 6.649 11.059 1.641
157 HB3 PHE 20 1HB PHE 20 8.191 10.797 0.799
158 HD1 PHE 20 1HD PHE 20 6.597 12.360 3.756
159 HD2 PHE 20 2HD PHE 20 10.302 11.224 1.905
160 HE1 PHE 20 1HE PHE 20 7.775 12.705 5.908
161 HE2 PHE 20 2HE PHE 20 11.487 11.582 4.051
162 HZ PHE 20 HZ PHE 20 10.232 12.364 6.047
Start of MODEL 12
1 H1 HIS 1 H HIS 1 -7.011 -12.156 -3.493
2 HA HIS 1 HA HIS 1 -7.217 -14.006 -5.629
3 HB2 HIS 1 2HB HIS 1 -8.055 -12.148 -6.946
4 HB3 HIS 1 1HB HIS 1 -6.645 -11.171 -6.518
5 HD1 HIS 1 1HD HIS 1 -5.638 -10.928 -8.902
6 HD2 HIS 1 2HD HIS 1 -6.485 -14.829 -7.847
7 HE1 HIS 1 1HE HIS 1 -4.594 -12.387 -10.709
8 HE2 HIS 1 2HE HIS 1 -5.145 -14.788 -10.029
9 H GLY 2 H GLY 2 -4.993 -11.187 -5.133
10 HA2 GLY 2 2HA GLY 2 -3.024 -12.521 -3.636
11 HA3 GLY 2 1HA GLY 2 -2.582 -12.637 -5.354
12 H LEU 3 H LEU 3 -2.192 -10.756 -6.566
13 HA LEU 3 HA LEU 3 -0.981 -8.612 -5.257
14 HB2 LEU 3 2HB LEU 3 -0.654 -7.605 -7.383
15 HB3 LEU 3 1HB LEU 3 -0.429 -9.354 -7.531
16 HG LEU 3 HG LEU 3 -3.120 -8.197 -8.180
17 HD11 LEU 3 1HD1 LEU 3 -2.359 -7.760 -10.497
18 HD12 LEU 3 2HD1 LEU 3 -1.530 -6.711 -9.323
19 HD13 LEU 3 3HD1 LEU 3 -0.686 -8.120 -10.008
20 HD21 LEU 3 3HD2 LEU 3 -1.459 -10.447 -9.389
21 HD22 LEU 3 1HD2 LEU 3 -2.770 -10.649 -8.202
22 HD23 LEU 3 2HD2 LEU 3 -3.131 -10.025 -9.830
23 H ALA 4 H ALA 4 -4.274 -8.762 -6.659
24 HA ALA 4 HA ALA 4 -5.107 -6.169 -6.322
25 HB1 ALA 4 1HB ALA 4 -6.371 -7.986 -7.423
26 HB2 ALA 4 2HB ALA 4 -6.695 -8.715 -5.832
27 HB3 ALA 4 3HB ALA 4 -7.363 -7.114 -6.230
28 H SER 5 H SER 5 -4.346 -8.471 -3.850
29 HA SER 5 HA SER 5 -5.612 -6.896 -1.699
30 HB2 SER 5 1HB SER 5 -5.807 -9.548 -2.116
31 HB3 SER 5 2HB SER 5 -4.289 -9.524 -1.183
32 HG SER 5 HG SER 5 -6.134 -9.636 0.246
33 H THR 6 H THR 6 -2.424 -8.230 -2.848
34 HA THR 6 HA THR 6 -0.785 -7.269 -0.897
35 HB THR 6 HB THR 6 -0.368 -8.572 -3.155
36 HG1 THR 6 1HG THR 6 1.936 -8.134 -2.663
37 HG21 THR 6 3HG2 THR 6 -0.455 -6.337 -4.530
38 HG22 THR 6 1HG2 THR 6 1.166 -6.072 -3.846
39 HG23 THR 6 2HG2 THR 6 0.843 -7.516 -4.836
40 H LEU 7 H LEU 7 -2.448 -5.351 -3.322
41 HA LEU 7 HA LEU 7 -1.103 -2.873 -2.562
42 HB2 LEU 7 2HB LEU 7 -3.209 -3.667 -4.587
43 HB3 LEU 7 1HB LEU 7 -2.753 -1.977 -4.290
44 HG LEU 7 HG LEU 7 -0.566 -3.964 -4.826
45 HD11 LEU 7 1HD1 LEU 7 -0.849 -3.634 -7.265
46 HD12 LEU 7 2HD1 LEU 7 -2.255 -4.464 -6.555
47 HD13 LEU 7 3HD1 LEU 7 -2.357 -2.735 -6.965
48 HD21 LEU 7 3HD2 LEU 7 -1.040 -1.060 -5.627
49 HD22 LEU 7 1HD2 LEU 7 -0.055 -1.608 -4.250
50 HD23 LEU 7 2HD2 LEU 7 0.450 -1.990 -5.912
51 H THR 8 H THR 8 -3.444 -4.660 -1.033
52 HA THR 8 HA THR 8 -4.996 -2.347 -0.119
53 HB THR 8 HB THR 8 -5.346 -5.338 0.319
54 HG1 THR 8 1HG THR 8 -7.022 -5.013 -1.359
55 HG21 THR 8 3HG2 THR 8 -7.331 -3.060 0.708
56 HG22 THR 8 1HG2 THR 8 -7.679 -4.797 0.885
57 HG23 THR 8 2HG2 THR 8 -6.559 -3.995 2.012
58 H ARG 9 H ARG 9 -2.296 -4.304 0.793
59 HA ARG 9 HA ARG 9 -2.460 -3.455 3.610
60 HB2 ARG 9 2HB ARG 9 -0.693 -5.475 2.194
61 HB3 ARG 9 1HB ARG 9 -0.571 -5.056 3.916
62 HG2 ARG 9 1HG ARG 9 -2.273 -6.427 4.437
63 HG3 ARG 9 2HG ARG 9 -3.326 -5.665 3.224
64 HD2 ARG 9 1HD ARG 9 -3.134 -7.976 2.611
65 HD3 ARG 9 2HD ARG 9 -2.124 -7.064 1.467
66 HE ARG 9 HE ARG 9 -0.646 -7.927 3.775
67 HH11 ARG 9 2HH2 ARG 9 -1.741 -8.999 0.627
68 HH12 ARG 9 1HH2 ARG 9 -0.594 -10.301 0.527
69 HH21 ARG 9 2HH1 ARG 9 0.858 -9.630 3.611
70 HH22 ARG 9 1HH1 ARG 9 0.862 -10.635 2.205
71 H TRP 10 H TRP 10 0.082 -3.551 0.948
72 HA TRP 10 HA TRP 10 1.799 -1.761 2.219
73 HB2 TRP 10 1HB TRP 10 2.979 -2.620 0.584
74 HB3 TRP 10 2HB TRP 10 1.531 -3.107 -0.310
75 HD1 TRP 10 HD TRP 10 0.892 -1.733 -2.385
76 HE1 TRP 10 1HE TRP 10 1.850 0.290 -3.593
77 HE3 TRP 10 3HE TRP 10 4.396 -0.454 1.009
78 HZ2 TRP 10 2HZ TRP 10 3.895 2.186 -3.145
79 HZ3 TRP 10 3HZ TRP 10 5.633 1.686 0.747
80 HH2 TRP 10 HH TRP 10 5.438 2.964 -1.366
81 H ALA 11 H ALA 11 -1.158 -1.107 0.421
82 HA ALA 11 HA ALA 11 -0.786 1.727 0.168
83 HB1 ALA 11 1HB ALA 11 -3.201 1.715 -0.375
84 HB2 ALA 11 2HB ALA 11 -3.265 -0.013 0.047
85 HB3 ALA 11 3HB ALA 11 -2.269 0.531 -1.325
86 H HIS 12 H HIS 12 -1.135 -0.076 2.945
87 HA HIS 12 HA HIS 12 -2.517 2.046 4.441
88 HB2 HIS 12 2HB HIS 12 -3.550 -0.005 4.804
89 HB3 HIS 12 1HB HIS 12 -2.024 -0.898 4.750
90 HD1 HIS 12 1HD HIS 12 -4.131 1.074 7.227
91 HD2 HIS 12 2HD HIS 12 -0.680 -1.183 6.980
92 HE1 HIS 12 1HE HIS 12 -3.252 0.847 9.616
93 HE2 HIS 12 2HE HIS 12 -1.153 -0.602 9.432
94 H TYR 13 H TYR 13 0.611 0.982 3.590
95 HA TYR 13 HA TYR 13 1.942 1.739 6.089
96 HB2 TYR 13 1HB TYR 13 2.580 0.218 3.607
97 HB3 TYR 13 2HB TYR 13 3.923 1.103 4.363
98 HD1 TYR 13 2HD TYR 13 1.387 -1.569 4.873
99 HD2 TYR 13 1HD TYR 13 4.769 0.514 6.504
100 HE1 TYR 13 2HE TYR 13 1.803 -3.462 6.399
101 HE2 TYR 13 1HE TYR 13 5.188 -1.366 8.057
102 HH TYR 13 HH TYR 13 2.901 -4.128 8.216
103 H ASN 14 H ASN 14 2.747 2.345 2.651
104 HA ASN 14 HA ASN 14 4.006 4.829 3.076
105 HB2 ASN 14 2HB ASN 14 4.416 3.344 1.162
106 HB3 ASN 14 1HB ASN 14 2.775 3.665 0.565
107 HD21 ASN 14 2HD2 ASN 14 3.538 4.595 -1.394
108 HD22 ASN 14 1HD2 ASN 14 4.154 6.224 -1.358
109 H ALA 15 H ALA 15 0.631 4.085 3.064
110 HA ALA 15 HA ALA 15 -0.611 6.368 2.074
111 HB1 ALA 15 1HB ALA 15 -1.845 5.624 4.530
112 HB2 ALA 15 2HB ALA 15 -1.188 4.138 3.801
113 HB3 ALA 15 3HB ALA 15 -2.316 5.160 2.878
114 H LEU 16 H LEU 16 1.388 5.971 4.955
115 HA LEU 16 HA LEU 16 0.833 8.733 5.840
116 HB2 LEU 16 1HB LEU 16 2.248 6.447 7.245
117 HB3 LEU 16 2HB LEU 16 1.884 8.036 7.940
118 HG LEU 16 HG LEU 16 -0.199 6.056 6.951
119 HD11 LEU 16 1HD1 LEU 16 -0.644 5.634 9.348
120 HD12 LEU 16 2HD1 LEU 16 1.007 5.161 8.882
121 HD13 LEU 16 3HD1 LEU 16 0.735 6.675 9.777
122 HD21 LEU 16 3HD2 LEU 16 -0.522 8.577 8.624
123 HD22 LEU 16 1HD2 LEU 16 -0.961 8.412 6.907
124 HD23 LEU 16 2HD2 LEU 16 -1.819 7.459 8.141
125 H ILE 17 H ILE 17 3.415 6.604 4.589
126 HA ILE 17 HA ILE 17 5.521 8.548 4.983
127 HB ILE 17 HB ILE 17 5.595 6.024 3.295
128 HG12 ILE 17 1HG1 ILE 17 6.376 6.222 6.217
129 HG13 ILE 17 2HG1 ILE 17 4.768 5.683 5.716
130 HG21 ILE 17 1HG2 ILE 17 7.504 7.609 3.068
131 HG22 ILE 17 2HG2 ILE 17 7.753 7.545 4.829
132 HG23 ILE 17 3HG2 ILE 17 8.000 6.084 3.842
133 HD11 ILE 17 3HD1 ILE 17 7.407 4.338 5.003
134 HD12 ILE 17 1HD1 ILE 17 6.230 3.769 6.211
135 HD13 ILE 17 2HD1 ILE 17 5.795 3.789 4.485
136 H ARG 18 H ARG 18 2.933 8.576 2.910
137 HA ARG 18 HA ARG 18 2.331 9.618 1.092
138 HB2 ARG 18 1HB ARG 18 4.787 11.197 1.724
139 HB3 ARG 18 2HB ARG 18 3.953 11.455 0.177
140 HG2 ARG 18 2HG ARG 18 1.994 12.221 1.219
141 HG3 ARG 18 1HG ARG 18 2.400 11.447 2.774
142 HD2 ARG 18 1HD ARG 18 4.096 13.040 3.250
143 HD3 ARG 18 2HD ARG 18 4.177 13.586 1.557
144 HE ARG 18 HE ARG 18 1.633 14.157 2.189
145 HH11 ARG 18 2HH2 ARG 18 4.521 14.815 4.067
146 HH12 ARG 18 1HH2 ARG 18 3.935 16.325 4.687
147 HH21 ARG 18 2HH1 ARG 18 0.886 16.129 3.014
148 HH22 ARG 18 1HH1 ARG 18 1.878 17.047 4.097
149 H ALA 19 H ALA 19 5.802 9.631 0.358
150 HA ALA 19 HA ALA 19 6.793 9.340 -1.711
151 HB1 ALA 19 1HB ALA 19 7.767 7.291 -1.499
152 HB2 ALA 19 2HB ALA 19 6.220 6.451 -1.231
153 HB3 ALA 19 3HB ALA 19 6.964 7.389 0.087
154 H PHE 20 H PHE 20 4.682 10.321 -2.574
155 HA PHE 20 HA PHE 20 3.374 8.505 -4.515
156 HB2 PHE 20 1HB PHE 20 1.843 9.441 -2.898
157 HB3 PHE 20 2HB PHE 20 2.481 11.076 -3.156
158 HD1 PHE 20 1HD PHE 20 1.093 8.260 -5.225
159 HD2 PHE 20 2HD PHE 20 1.245 12.500 -4.562
160 HE1 PHE 20 1HE PHE 20 -0.488 8.609 -7.098
161 HE2 PHE 20 2HE PHE 20 -0.387 12.845 -6.395
162 HZ PHE 20 HZ PHE 20 -1.266 10.899 -7.657
Start of MODEL 13
1 H1 HIS 1 H HIS 1 -7.082 -12.145 -8.199
2 HA HIS 1 HA HIS 1 -7.913 -10.792 -5.866
3 HB2 HIS 1 1HB HIS 1 -9.233 -13.447 -6.295
4 HB3 HIS 1 2HB HIS 1 -8.747 -12.982 -4.653
5 HD1 HIS 1 1HD HIS 1 -10.847 -11.407 -7.481
6 HD2 HIS 1 2HD HIS 1 -10.509 -11.625 -3.373
7 HE1 HIS 1 1HE HIS 1 -12.864 -10.159 -6.536
8 HE2 HIS 1 2HE HIS 1 -12.608 -10.305 -3.996
9 H GLY 2 H GLY 2 -5.710 -10.479 -5.687
10 HA2 GLY 2 2HA GLY 2 -4.249 -12.231 -4.045
11 HA3 GLY 2 1HA GLY 2 -3.724 -12.479 -5.725
12 H LEU 3 H LEU 3 -2.639 -10.819 -6.852
13 HA LEU 3 HA LEU 3 -1.137 -8.994 -5.369
14 HB2 LEU 3 2HB LEU 3 -0.286 -8.145 -7.413
15 HB3 LEU 3 1HB LEU 3 -0.503 -9.895 -7.580
16 HG LEU 3 HG LEU 3 -2.798 -8.248 -8.472
17 HD11 LEU 3 1HD1 LEU 3 -1.699 -7.637 -10.604
18 HD12 LEU 3 2HD1 LEU 3 -0.149 -8.244 -9.969
19 HD13 LEU 3 3HD1 LEU 3 -0.932 -6.837 -9.211
20 HD21 LEU 3 3HD2 LEU 3 -2.793 -9.870 -10.319
21 HD22 LEU 3 1HD2 LEU 3 -2.711 -10.704 -8.749
22 HD23 LEU 3 2HD2 LEU 3 -1.245 -10.535 -9.744
23 H ALA 4 H ALA 4 -4.143 -8.294 -7.278
24 HA ALA 4 HA ALA 4 -4.453 -5.668 -6.853
25 HB1 ALA 4 1HB ALA 4 -6.029 -7.165 -8.027
26 HB2 ALA 4 2HB ALA 4 -6.615 -7.764 -6.457
27 HB3 ALA 4 3HB ALA 4 -6.860 -6.059 -6.907
28 H SER 5 H SER 5 -4.510 -8.074 -4.304
29 HA SER 5 HA SER 5 -5.499 -6.206 -2.266
30 HB2 SER 5 1HB SER 5 -5.812 -8.967 -2.678
31 HB3 SER 5 2HB SER 5 -4.666 -8.828 -1.320
32 HG SER 5 HG SER 5 -6.844 -8.743 -0.536
33 H THR 6 H THR 6 -2.498 -7.719 -3.443
34 HA THR 6 HA THR 6 -0.873 -7.283 -1.182
35 HB THR 6 HB THR 6 -0.437 -8.634 -3.379
36 HG1 THR 6 1HG THR 6 1.887 -8.377 -2.812
37 HG21 THR 6 3HG2 THR 6 0.302 -7.575 -5.209
38 HG22 THR 6 1HG2 THR 6 1.659 -6.923 -4.258
39 HG23 THR 6 2HG2 THR 6 0.144 -5.998 -4.397
40 H LEU 7 H LEU 7 -2.083 -5.090 -3.654
41 HA LEU 7 HA LEU 7 -0.389 -2.909 -2.750
42 HB2 LEU 7 2HB LEU 7 -1.141 -1.689 -4.542
43 HB3 LEU 7 1HB LEU 7 -1.116 -3.344 -5.152
44 HG LEU 7 HG LEU 7 -3.689 -3.258 -4.440
45 HD11 LEU 7 1HD1 LEU 7 -3.582 -0.935 -3.581
46 HD12 LEU 7 2HD1 LEU 7 -3.053 -0.375 -5.184
47 HD13 LEU 7 3HD1 LEU 7 -4.675 -1.074 -4.977
48 HD21 LEU 7 3HD2 LEU 7 -4.191 -2.732 -6.781
49 HD22 LEU 7 1HD2 LEU 7 -2.752 -3.774 -6.673
50 HD23 LEU 7 2HD2 LEU 7 -2.568 -2.032 -6.988
51 H THR 8 H THR 8 -3.144 -4.356 -1.429
52 HA THR 8 HA THR 8 -4.338 -1.854 -0.485
53 HB THR 8 HB THR 8 -5.169 -4.765 -0.216
54 HG1 THR 8 1HG THR 8 -6.731 -4.055 -1.889
55 HG21 THR 8 3HG2 THR 8 -6.212 -3.372 1.545
56 HG22 THR 8 1HG2 THR 8 -7.408 -3.909 0.341
57 HG23 THR 8 2HG2 THR 8 -6.792 -2.240 0.300
58 H ARG 9 H ARG 9 -2.040 -4.243 0.482
59 HA ARG 9 HA ARG 9 -2.243 -3.475 3.316
60 HB2 ARG 9 1HB ARG 9 -2.164 -5.900 2.511
61 HB3 ARG 9 2HB ARG 9 -0.462 -5.602 2.118
62 HG2 ARG 9 2HG ARG 9 -1.592 -5.062 4.878
63 HG3 ARG 9 1HG ARG 9 -1.011 -6.666 4.399
64 HD2 ARG 9 2HD ARG 9 1.226 -5.740 3.939
65 HD3 ARG 9 1HD ARG 9 0.652 -4.117 4.390
66 HE ARG 9 HE ARG 9 0.033 -5.332 6.602
67 HH11 ARG 9 2HH2 ARG 9 2.990 -5.863 4.776
68 HH12 ARG 9 1HH2 ARG 9 3.898 -6.365 6.165
69 HH21 ARG 9 2HH1 ARG 9 1.257 -6.003 8.388
70 HH22 ARG 9 1HH1 ARG 9 2.917 -6.442 8.178
71 H TRP 10 H TRP 10 0.449 -3.811 0.767
72 HA TRP 10 HA TRP 10 2.266 -2.313 2.252
73 HB2 TRP 10 2HB TRP 10 3.469 -3.196 0.637
74 HB3 TRP 10 1HB TRP 10 2.033 -3.483 -0.355
75 HD1 TRP 10 HD TRP 10 1.709 -2.032 -2.431
76 HE1 TRP 10 1HE TRP 10 2.924 -0.064 -3.487
77 HE3 TRP 10 3HE TRP 10 4.966 -1.105 1.303
78 HZ2 TRP 10 2HZ TRP 10 5.024 1.688 -2.784
79 HZ3 TRP 10 3HZ TRP 10 6.408 0.901 1.198
80 HH2 TRP 10 HH TRP 10 6.382 2.348 -0.822
81 H ALA 11 H ALA 11 -0.454 -1.180 0.323
82 HA ALA 11 HA ALA 11 0.354 1.590 0.315
83 HB1 ALA 11 1HB ALA 11 -1.902 2.050 -0.480
84 HB2 ALA 11 2HB ALA 11 -1.167 0.719 -1.403
85 HB3 ALA 11 3HB ALA 11 -2.380 0.367 -0.150
86 H HIS 12 H HIS 12 -0.427 -0.295 2.970
87 HA HIS 12 HA HIS 12 -1.806 1.865 4.364
88 HB2 HIS 12 2HB HIS 12 -2.435 0.322 5.852
89 HB3 HIS 12 1HB HIS 12 -2.045 -0.783 4.537
90 HD1 HIS 12 1HD HIS 12 -1.805 -0.871 7.920
91 HD2 HIS 12 2HD HIS 12 1.037 -1.340 4.983
92 HE1 HIS 12 1HE HIS 12 0.156 -2.086 9.013
93 HE2 HIS 12 2HE HIS 12 1.903 -2.355 7.161
94 H TYR 13 H TYR 13 1.401 0.779 3.748
95 HA TYR 13 HA TYR 13 2.679 2.017 6.043
96 HB2 TYR 13 1HB TYR 13 3.227 -0.005 4.137
97 HB3 TYR 13 2HB TYR 13 4.398 1.292 3.814
98 HD1 TYR 13 1HD TYR 13 5.869 2.126 5.693
99 HD2 TYR 13 2HD TYR 13 3.362 -1.339 6.100
100 HE1 TYR 13 1HE TYR 13 7.335 1.276 7.494
101 HE2 TYR 13 2HE TYR 13 4.793 -2.185 7.905
102 HH TYR 13 HH TYR 13 6.441 -1.696 9.307
103 H ASN 14 H ASN 14 3.094 2.379 2.475
104 HA ASN 14 HA ASN 14 3.974 5.102 2.712
105 HB2 ASN 14 2HB ASN 14 3.643 3.136 0.517
106 HB3 ASN 14 1HB ASN 14 3.623 4.860 0.089
107 HD21 ASN 14 2HD2 ASN 14 5.542 2.700 2.321
108 HD22 ASN 14 1HD2 ASN 14 7.053 3.409 1.817
109 H ALA 15 H ALA 15 0.880 3.956 3.037
110 HA ALA 15 HA ALA 15 -0.818 5.608 1.639
111 HB1 ALA 15 1HB ALA 15 -1.583 5.571 4.433
112 HB2 ALA 15 2HB ALA 15 -2.293 4.674 3.069
113 HB3 ALA 15 3HB ALA 15 -0.927 3.981 3.976
114 H LEU 16 H LEU 16 0.972 6.320 4.664
115 HA LEU 16 HA LEU 16 0.067 9.111 4.621
116 HB2 LEU 16 2HB LEU 16 0.054 7.536 6.663
117 HB3 LEU 16 1HB LEU 16 1.811 7.789 6.699
118 HG LEU 16 HG LEU 16 0.215 10.272 6.450
119 HD11 LEU 16 1HD1 LEU 16 -1.245 8.946 7.949
120 HD12 LEU 16 2HD1 LEU 16 -0.465 10.289 8.817
121 HD13 LEU 16 3HD1 LEU 16 0.144 8.628 9.014
122 HD21 LEU 16 3HD2 LEU 16 1.821 11.048 8.153
123 HD22 LEU 16 1HD2 LEU 16 2.669 10.247 6.808
124 HD23 LEU 16 2HD2 LEU 16 2.430 9.387 8.349
125 H ILE 17 H ILE 17 2.656 7.241 3.427
126 HA ILE 17 HA ILE 17 4.675 9.366 3.643
127 HB ILE 17 HB ILE 17 4.984 6.647 2.322
128 HG12 ILE 17 1HG1 ILE 17 5.802 7.378 5.152
129 HG13 ILE 17 2HG1 ILE 17 4.319 6.490 4.778
130 HG21 ILE 17 1HG2 ILE 17 6.666 8.394 1.756
131 HG22 ILE 17 2HG2 ILE 17 7.009 8.611 3.489
132 HG23 ILE 17 3HG2 ILE 17 7.386 7.064 2.695
133 HD11 ILE 17 3HD1 ILE 17 6.869 5.367 3.688
134 HD12 ILE 17 1HD1 ILE 17 6.627 5.273 5.449
135 HD13 ILE 17 2HD1 ILE 17 5.441 4.533 4.347
136 H ARG 18 H ARG 18 1.957 9.036 1.881
137 HA ARG 18 HA ARG 18 1.233 9.619 -0.140
138 HB2 ARG 18 1HB ARG 18 1.886 11.904 -0.768
139 HB3 ARG 18 2HB ARG 18 1.539 11.732 0.963
140 HG2 ARG 18 2HG ARG 18 3.931 11.675 1.469
141 HG3 ARG 18 1HG ARG 18 4.322 11.709 -0.259
142 HD2 ARG 18 1HD ARG 18 4.570 13.923 0.082
143 HD3 ARG 18 2HD ARG 18 2.796 13.956 -0.040
144 HE ARG 18 HE ARG 18 3.430 13.337 2.616
145 HH11 ARG 18 2HH2 ARG 18 4.033 15.969 0.429
146 HH12 ARG 18 1HH2 ARG 18 4.025 17.213 1.641
147 HH21 ARG 18 2HH1 ARG 18 3.422 14.974 4.256
148 HH22 ARG 18 1HH1 ARG 18 3.679 16.627 3.804
149 H ALA 19 H ALA 19 2.309 7.602 -0.901
150 HA ALA 19 HA ALA 19 3.997 8.240 -3.229
151 HB1 ALA 19 1HB ALA 19 5.543 7.525 -1.444
152 HB2 ALA 19 2HB ALA 19 5.501 6.369 -2.796
153 HB3 ALA 19 3HB ALA 19 4.640 5.999 -1.283
154 H PHE 20 H PHE 20 2.512 5.371 -1.593
155 HA PHE 20 HA PHE 20 1.246 3.697 -2.375
156 HB2 PHE 20 2HB PHE 20 -0.544 5.155 -2.146
157 HB3 PHE 20 1HB PHE 20 -0.014 6.184 -3.479
158 HD1 PHE 20 2HD PHE 20 -1.078 2.589 -3.056
159 HD2 PHE 20 1HD PHE 20 -1.042 6.075 -5.522
160 HE1 PHE 20 2HE PHE 20 -2.423 1.405 -4.751
161 HE2 PHE 20 1HE PHE 20 -2.405 4.911 -7.220
162 HZ PHE 20 HZ PHE 20 -3.113 2.562 -6.834
Start of MODEL 14
1 H1 HIS 1 H HIS 1 -7.010 -13.535 -7.765
2 HA HIS 1 HA HIS 1 -7.829 -11.916 -5.585
3 HB2 HIS 1 2HB HIS 1 -9.700 -13.764 -5.761
4 HB3 HIS 1 1HB HIS 1 -8.492 -14.777 -4.954
5 HD1 HIS 1 1HD HIS 1 -11.239 -12.700 -4.064
6 HD2 HIS 1 2HD HIS 1 -7.433 -13.299 -2.582
7 HE1 HIS 1 1HE HIS 1 -11.250 -11.780 -1.685
8 HE2 HIS 1 2HE HIS 1 -8.874 -12.153 -0.807
9 H GLY 2 H GLY 2 -5.661 -11.461 -5.408
10 HA2 GLY 2 1HA GLY 2 -4.034 -13.019 -3.737
11 HA3 GLY 2 2HA GLY 2 -3.539 -13.328 -5.415
12 H LEU 3 H LEU 3 -2.606 -11.657 -6.665
13 HA LEU 3 HA LEU 3 -1.201 -9.649 -5.333
14 HB2 LEU 3 1HB LEU 3 -0.495 -8.839 -7.448
15 HB3 LEU 3 2HB LEU 3 -0.555 -10.608 -7.516
16 HG LEU 3 HG LEU 3 -3.012 -9.202 -8.411
17 HD11 LEU 3 1HD1 LEU 3 -2.029 -8.626 -10.611
18 HD12 LEU 3 2HD1 LEU 3 -0.419 -9.078 -10.001
19 HD13 LEU 3 3HD1 LEU 3 -1.284 -7.694 -9.290
20 HD21 LEU 3 3HD2 LEU 3 -2.932 -10.920 -10.171
21 HD22 LEU 3 1HD2 LEU 3 -2.739 -11.656 -8.562
22 HD23 LEU 3 2HD2 LEU 3 -1.321 -11.430 -9.614
23 H ALA 4 H ALA 4 -4.310 -9.275 -7.166
24 HA ALA 4 HA ALA 4 -4.803 -6.660 -6.870
25 HB1 ALA 4 1HB ALA 4 -6.299 -8.333 -7.903
26 HB2 ALA 4 2HB ALA 4 -6.785 -8.885 -6.282
27 HB3 ALA 4 3HB ALA 4 -7.174 -7.231 -6.814
28 H SER 5 H SER 5 -4.597 -8.918 -4.195
29 HA SER 5 HA SER 5 -5.659 -7.014 -2.228
30 HB2 SER 5 1HB SER 5 -5.848 -9.780 -2.492
31 HB3 SER 5 2HB SER 5 -4.606 -9.558 -1.234
32 HG SER 5 HG SER 5 -6.763 -9.559 -0.325
33 H THR 6 H THR 6 -2.589 -8.381 -3.412
34 HA THR 6 HA THR 6 -0.931 -7.707 -1.241
35 HB THR 6 HB THR 6 -0.468 -9.129 -3.382
36 HG1 THR 6 1HG THR 6 1.847 -8.682 -2.918
37 HG21 THR 6 3HG2 THR 6 0.132 -8.121 -5.289
38 HG22 THR 6 1HG2 THR 6 1.463 -7.317 -4.422
39 HG23 THR 6 2HG2 THR 6 -0.122 -6.518 -4.554
40 H LEU 7 H LEU 7 -2.360 -5.750 -3.763
41 HA LEU 7 HA LEU 7 -0.874 -3.348 -3.037
42 HB2 LEU 7 1HB LEU 7 -2.848 -4.164 -5.150
43 HB3 LEU 7 2HB LEU 7 -2.573 -2.442 -4.814
44 HG LEU 7 HG LEU 7 -0.175 -4.212 -5.184
45 HD11 LEU 7 1HD1 LEU 7 -1.688 -4.864 -7.033
46 HD12 LEU 7 2HD1 LEU 7 -0.301 -3.926 -7.635
47 HD13 LEU 7 3HD1 LEU 7 -1.894 -3.150 -7.467
48 HD21 LEU 7 3HD2 LEU 7 0.717 -2.143 -6.207
49 HD22 LEU 7 1HD2 LEU 7 0.054 -1.815 -4.588
50 HD23 LEU 7 2HD2 LEU 7 -0.876 -1.367 -6.038
51 H THR 8 H THR 8 -3.394 -4.922 -1.538
52 HA THR 8 HA THR 8 -4.777 -2.471 -0.711
53 HB THR 8 HB THR 8 -5.345 -5.427 -0.277
54 HG1 THR 8 1HG THR 8 -7.048 -4.899 -1.899
55 HG21 THR 8 3HG2 THR 8 -7.168 -3.039 0.210
56 HG22 THR 8 1HG2 THR 8 -7.629 -4.754 0.334
57 HG23 THR 8 2HG2 THR 8 -6.443 -4.066 1.469
58 H ARG 9 H ARG 9 -2.282 -4.630 0.308
59 HA ARG 9 HA ARG 9 -2.432 -3.808 3.121
60 HB2 ARG 9 1HB ARG 9 -0.825 -5.862 1.575
61 HB3 ARG 9 2HB ARG 9 -0.582 -5.530 3.303
62 HG2 ARG 9 1HG ARG 9 -3.404 -5.981 2.530
63 HG3 ARG 9 2HG ARG 9 -2.341 -7.388 2.293
64 HD2 ARG 9 2HD ARG 9 -1.567 -6.372 4.788
65 HD3 ARG 9 1HD ARG 9 -3.341 -6.205 4.785
66 HE ARG 9 HE ARG 9 -3.490 -8.459 4.961
67 HH11 ARG 9 2HH2 ARG 9 -0.324 -7.881 3.517
68 HH12 ARG 9 1HH2 ARG 9 0.086 -9.564 3.454
69 HH21 ARG 9 2HH1 ARG 9 -2.906 -10.649 4.837
70 HH22 ARG 9 1HH1 ARG 9 -1.364 -11.093 4.186
71 H TRP 10 H TRP 10 0.164 -3.985 0.530
72 HA TRP 10 HA TRP 10 1.938 -2.284 1.849
73 HB2 TRP 10 1HB TRP 10 3.112 -3.212 0.242
74 HB3 TRP 10 2HB TRP 10 1.660 -3.632 -0.679
75 HD1 TRP 10 HD TRP 10 1.184 -2.291 -2.808
76 HE1 TRP 10 1HE TRP 10 2.237 -0.300 -3.988
77 HE3 TRP 10 3HE TRP 10 4.544 -1.036 0.744
78 HZ2 TRP 10 2HZ TRP 10 4.294 1.562 -3.459
79 HZ3 TRP 10 3HZ TRP 10 5.817 1.090 0.527
80 HH2 TRP 10 HH TRP 10 5.834 2.257 -1.658
81 H ALA 11 H ALA 11 -0.933 -1.492 -0.037
82 HA ALA 11 HA ALA 11 -0.433 1.310 -0.312
83 HB1 ALA 11 1HB ALA 11 -2.903 1.383 -0.761
84 HB2 ALA 11 2HB ALA 11 -1.985 0.262 -1.795
85 HB3 ALA 11 3HB ALA 11 -2.951 -0.366 -0.438
86 H HIS 12 H HIS 12 -0.938 -0.472 2.504
87 HA HIS 12 HA HIS 12 -2.184 1.790 3.933
88 HB2 HIS 12 2HB HIS 12 -2.280 -1.129 4.071
89 HB3 HIS 12 1HB HIS 12 -1.887 -0.398 5.640
90 HD1 HIS 12 1HD HIS 12 -3.891 0.377 6.936
91 HD2 HIS 12 2HD HIS 12 -4.639 0.085 2.886
92 HE1 HIS 12 1HE HIS 12 -6.362 0.955 6.624
93 HE2 HIS 12 2HE HIS 12 -6.789 0.747 4.111
94 H TYR 13 H TYR 13 0.849 0.752 3.082
95 HA TYR 13 HA TYR 13 2.180 1.393 5.620
96 HB2 TYR 13 2HB TYR 13 2.566 -0.556 3.795
97 HB3 TYR 13 1HB TYR 13 3.605 0.694 3.077
98 HD1 TYR 13 1HD TYR 13 2.905 -1.226 6.147
99 HD2 TYR 13 2HD TYR 13 5.762 1.215 4.066
100 HE1 TYR 13 1HE TYR 13 4.676 -2.002 7.687
101 HE2 TYR 13 2HE TYR 13 7.532 0.468 5.611
102 HH TYR 13 HH TYR 13 7.979 -0.602 7.516
103 H ASN 14 H ASN 14 2.707 2.195 2.143
104 HA ASN 14 HA ASN 14 4.010 4.670 2.631
105 HB2 ASN 14 2HB ASN 14 3.396 2.939 0.433
106 HB3 ASN 14 1HB ASN 14 2.967 4.608 0.007
107 HD21 ASN 14 2HD2 ASN 14 4.708 4.474 -1.533
108 HD22 ASN 14 1HD2 ASN 14 6.353 4.715 -0.999
109 H ALA 15 H ALA 15 0.731 3.892 2.895
110 HA ALA 15 HA ALA 15 -0.660 6.147 1.964
111 HB1 ALA 15 1HB ALA 15 -1.834 5.237 4.379
112 HB2 ALA 15 2HB ALA 15 -1.086 3.809 3.622
113 HB3 ALA 15 3HB ALA 15 -2.275 4.777 2.716
114 H LEU 16 H LEU 16 1.284 5.596 4.900
115 HA LEU 16 HA LEU 16 0.670 8.305 5.873
116 HB2 LEU 16 1HB LEU 16 1.131 5.805 7.114
117 HB3 LEU 16 2HB LEU 16 2.495 6.849 7.548
118 HG LEU 16 HG LEU 16 0.716 6.968 9.200
119 HD11 LEU 16 1HD1 LEU 16 2.101 8.973 8.801
120 HD12 LEU 16 2HD1 LEU 16 0.870 9.578 7.667
121 HD13 LEU 16 3HD1 LEU 16 0.468 9.372 9.389
122 HD21 LEU 16 3HD2 LEU 16 -1.489 7.868 8.751
123 HD22 LEU 16 1HD2 LEU 16 -1.195 6.442 7.728
124 HD23 LEU 16 2HD2 LEU 16 -1.087 8.075 7.029
125 H ILE 17 H ILE 17 3.207 6.485 4.276
126 HA ILE 17 HA ILE 17 5.313 8.403 4.817
127 HB ILE 17 HB ILE 17 5.220 6.176 2.775
128 HG12 ILE 17 2HG1 ILE 17 4.654 5.068 4.789
129 HG13 ILE 17 1HG1 ILE 17 6.342 4.713 4.407
130 HG21 ILE 17 1HG2 ILE 17 7.116 7.759 2.568
131 HG22 ILE 17 2HG2 ILE 17 7.626 7.323 4.216
132 HG23 ILE 17 3HG2 ILE 17 7.622 6.092 2.931
133 HD11 ILE 17 3HD1 ILE 17 5.398 6.661 6.543
134 HD12 ILE 17 1HD1 ILE 17 6.031 5.021 6.819
135 HD13 ILE 17 2HD1 ILE 17 7.093 6.284 6.151
136 H ARG 18 H ARG 18 2.554 8.749 3.064
137 HA ARG 18 HA ARG 18 1.804 10.275 1.644
138 HB2 ARG 18 1HB ARG 18 4.402 11.354 2.192
139 HB3 ARG 18 2HB ARG 18 4.053 11.530 0.460
140 HG2 ARG 18 2HG ARG 18 2.278 12.956 0.822
141 HG3 ARG 18 1HG ARG 18 1.875 12.229 2.395
142 HD2 ARG 18 1HD ARG 18 4.400 13.865 1.933
143 HD3 ARG 18 2HD ARG 18 2.868 14.582 2.492
144 HE ARG 18 HE ARG 18 3.506 12.300 4.063
145 HH11 ARG 18 2HH2 ARG 18 4.658 15.587 3.659
146 HH12 ARG 18 1HH2 ARG 18 5.195 15.735 5.303
147 HH21 ARG 18 2HH1 ARG 18 4.206 12.525 6.210
148 HH22 ARG 18 1HH1 ARG 18 4.937 14.007 6.722
149 H ALA 19 H ALA 19 4.877 8.925 0.477
150 HA ALA 19 HA ALA 19 5.589 8.004 -1.457
151 HB1 ALA 19 1HB ALA 19 2.763 7.143 -2.084
152 HB2 ALA 19 2HB ALA 19 4.294 6.280 -2.369
153 HB3 ALA 19 3HB ALA 19 3.650 6.430 -0.715
154 H PHE 20 H PHE 20 5.789 10.400 -1.986
155 HA PHE 20 HA PHE 20 4.672 10.884 -4.629
156 HB2 PHE 20 1HB PHE 20 2.986 11.553 -2.722
157 HB3 PHE 20 2HB PHE 20 4.032 12.981 -2.570
158 HD1 PHE 20 2HD PHE 20 2.545 10.911 -5.332
159 HD2 PHE 20 1HD PHE 20 3.329 14.843 -3.785
160 HE1 PHE 20 2HE PHE 20 1.336 11.904 -7.254
161 HE2 PHE 20 1HE PHE 20 2.127 15.839 -5.715
162 HZ PHE 20 HZ PHE 20 1.140 14.370 -7.454
Start of MODEL 15
1 H1 HIS 1 H HIS 1 -7.387 -14.433 -7.508
2 HA HIS 1 HA HIS 1 -7.867 -12.096 -5.996
3 HB2 HIS 1 1HB HIS 1 -9.807 -14.021 -5.441
4 HB3 HIS 1 2HB HIS 1 -8.647 -14.183 -4.108
5 HD1 HIS 1 1HD HIS 1 -9.593 -10.851 -5.753
6 HD2 HIS 1 2HD HIS 1 -10.024 -12.962 -2.231
7 HE1 HIS 1 1HE HIS 1 -10.611 -9.223 -4.071
8 HE2 HIS 1 2HE HIS 1 -10.859 -10.569 -1.912
9 H GLY 2 H GLY 2 -5.820 -11.642 -5.495
10 HA2 GLY 2 2HA GLY 2 -4.273 -13.119 -3.671
11 HA3 GLY 2 1HA GLY 2 -3.727 -13.514 -5.315
12 H LEU 3 H LEU 3 -2.647 -11.986 -6.562
13 HA LEU 3 HA LEU 3 -1.273 -9.927 -5.290
14 HB2 LEU 3 2HB LEU 3 -0.301 -9.426 -7.351
15 HB3 LEU 3 1HB LEU 3 -0.654 -11.161 -7.399
16 HG LEU 3 HG LEU 3 -2.930 -9.888 -8.462
17 HD11 LEU 3 1HD1 LEU 3 -1.986 -8.560 -10.325
18 HD12 LEU 3 2HD1 LEU 3 -0.364 -8.731 -9.610
19 HD13 LEU 3 3HD1 LEU 3 -1.634 -7.838 -8.737
20 HD21 LEU 3 3HD2 LEU 3 -0.646 -11.329 -9.851
21 HD22 LEU 3 1HD2 LEU 3 -2.260 -11.034 -10.542
22 HD23 LEU 3 2HD2 LEU 3 -2.081 -12.083 -9.115
23 H ALA 4 H ALA 4 -4.246 -9.646 -7.298
24 HA ALA 4 HA ALA 4 -4.723 -7.007 -7.317
25 HB1 ALA 4 1HB ALA 4 -6.170 -8.778 -8.258
26 HB2 ALA 4 2HB ALA 4 -6.750 -9.161 -6.619
27 HB3 ALA 4 3HB ALA 4 -7.100 -7.571 -7.339
28 H SER 5 H SER 5 -4.726 -8.994 -4.418
29 HA SER 5 HA SER 5 -5.808 -6.831 -2.735
30 HB2 SER 5 2HB SER 5 -6.742 -9.170 -2.547
31 HB3 SER 5 1HB SER 5 -5.140 -9.697 -1.975
32 HG SER 5 HG SER 5 -6.389 -9.151 -0.133
33 H THR 6 H THR 6 -2.796 -8.520 -3.578
34 HA THR 6 HA THR 6 -1.190 -7.826 -1.393
35 HB THR 6 HB THR 6 -0.522 -8.196 -4.330
36 HG1 THR 6 1HG THR 6 0.036 -10.398 -3.366
37 HG21 THR 6 3HG2 THR 6 1.293 -8.470 -1.903
38 HG22 THR 6 1HG2 THR 6 1.720 -8.881 -3.582
39 HG23 THR 6 2HG2 THR 6 1.387 -7.190 -3.136
40 H LEU 7 H LEU 7 -2.374 -5.909 -4.117
41 HA LEU 7 HA LEU 7 -0.766 -3.574 -3.522
42 HB2 LEU 7 2HB LEU 7 -1.165 -3.636 -5.732
43 HB3 LEU 7 1HB LEU 7 -2.664 -4.541 -5.547
44 HG LEU 7 HG LEU 7 -3.770 -2.375 -4.869
45 HD11 LEU 7 1HD1 LEU 7 -1.756 -1.014 -4.410
46 HD12 LEU 7 2HD1 LEU 7 -1.305 -1.122 -6.128
47 HD13 LEU 7 3HD1 LEU 7 -2.797 -0.277 -5.652
48 HD21 LEU 7 3HD2 LEU 7 -4.110 -3.485 -7.000
49 HD22 LEU 7 1HD2 LEU 7 -4.051 -1.722 -7.240
50 HD23 LEU 7 2HD2 LEU 7 -2.644 -2.724 -7.665
51 H THR 8 H THR 8 -3.495 -4.990 -1.996
52 HA THR 8 HA THR 8 -4.723 -2.429 -1.283
53 HB THR 8 HB THR 8 -5.565 -5.310 -0.819
54 HG1 THR 8 1HG THR 8 -7.154 -4.650 -2.501
55 HG21 THR 8 3HG2 THR 8 -7.176 -2.753 -0.437
56 HG22 THR 8 1HG2 THR 8 -7.797 -4.416 -0.296
57 HG23 THR 8 2HG2 THR 8 -6.590 -3.814 0.867
58 H ARG 9 H ARG 9 -2.402 -4.735 -0.081
59 HA ARG 9 HA ARG 9 -2.692 -3.801 2.677
60 HB2 ARG 9 2HB ARG 9 -1.049 -5.941 1.316
61 HB3 ARG 9 1HB ARG 9 -0.765 -5.458 3.002
62 HG2 ARG 9 1HG ARG 9 -3.129 -5.980 3.542
63 HG3 ARG 9 2HG ARG 9 -3.388 -6.500 1.859
64 HD2 ARG 9 2HD ARG 9 -1.042 -7.726 3.206
65 HD3 ARG 9 1HD ARG 9 -2.619 -8.171 3.894
66 HE ARG 9 HE ARG 9 -1.561 -8.868 1.273
67 HH11 ARG 9 2HH2 ARG 9 -4.492 -8.599 3.169
68 HH12 ARG 9 1HH2 ARG 9 -5.363 -9.793 2.270
69 HH21 ARG 9 2HH1 ARG 9 -2.733 -10.402 0.054
70 HH22 ARG 9 1HH1 ARG 9 -4.356 -10.798 0.508
71 H TRP 10 H TRP 10 0.023 -4.003 0.244
72 HA TRP 10 HA TRP 10 1.749 -2.310 1.653
73 HB2 TRP 10 2HB TRP 10 3.004 -3.288 0.124
74 HB3 TRP 10 1HB TRP 10 1.599 -3.677 -0.880
75 HD1 TRP 10 HD TRP 10 1.317 -2.413 -3.056
76 HE1 TRP 10 1HE TRP 10 2.434 -0.436 -4.190
77 HE3 TRP 10 3HE TRP 10 4.367 -1.047 0.719
78 HZ2 TRP 10 2HZ TRP 10 4.431 1.453 -3.560
79 HZ3 TRP 10 3HZ TRP 10 5.652 1.072 0.531
80 HH2 TRP 10 HH TRP 10 5.784 2.248 -1.628
81 H ALA 11 H ALA 11 -1.043 -1.512 -0.352
82 HA ALA 11 HA ALA 11 -0.499 1.270 -0.671
83 HB1 ALA 11 1HB ALA 11 -3.021 1.398 -0.978
84 HB2 ALA 11 2HB ALA 11 -2.129 0.349 -2.106
85 HB3 ALA 11 3HB ALA 11 -3.037 -0.368 -0.752
86 H HIS 12 H HIS 12 -1.036 -0.447 2.206
87 HA HIS 12 HA HIS 12 -2.245 1.879 3.561
88 HB2 HIS 12 1HB HIS 12 -1.903 -1.040 4.272
89 HB3 HIS 12 2HB HIS 12 -2.344 0.180 5.480
90 HD1 HIS 12 1HD HIS 12 -4.491 1.778 3.922
91 HD2 HIS 12 2HD HIS 12 -4.150 -2.323 3.973
92 HE1 HIS 12 1HE HIS 12 -6.718 0.873 3.053
93 HE2 HIS 12 2HE HIS 12 -6.504 -1.669 3.218
94 H TYR 13 H TYR 13 0.751 1.072 2.611
95 HA TYR 13 HA TYR 13 2.135 1.694 5.120
96 HB2 TYR 13 2HB TYR 13 2.581 -0.141 3.217
97 HB3 TYR 13 1HB TYR 13 3.480 1.205 2.485
98 HD1 TYR 13 1HD TYR 13 2.995 -0.091 5.976
99 HD2 TYR 13 2HD TYR 13 5.764 1.048 2.897
100 HE1 TYR 13 1HE TYR 13 4.869 -0.804 7.412
101 HE2 TYR 13 2HE TYR 13 7.649 0.354 4.328
102 HH TYR 13 HH TYR 13 8.267 -0.260 6.378
103 H ASN 14 H ASN 14 2.394 2.777 1.665
104 HA ASN 14 HA ASN 14 3.522 5.229 1.974
105 HB2 ASN 14 2HB ASN 14 1.249 4.687 0.042
106 HB3 ASN 14 1HB ASN 14 2.549 5.881 -0.120
107 HD21 ASN 14 2HD2 ASN 14 3.638 5.209 -1.918
108 HD22 ASN 14 1HD2 ASN 14 4.264 3.587 -2.089
109 H ALA 15 H ALA 15 0.319 4.385 3.076
110 HA ALA 15 HA ALA 15 -1.067 6.788 3.062
111 HB1 ALA 15 1HB ALA 15 -2.146 5.875 5.100
112 HB2 ALA 15 2HB ALA 15 -0.860 4.649 5.216
113 HB3 ALA 15 3HB ALA 15 -1.972 4.644 3.825
114 H LEU 16 H LEU 16 1.794 5.886 4.948
115 HA LEU 16 HA LEU 16 1.701 8.446 6.413
116 HB2 LEU 16 2HB LEU 16 2.095 5.916 7.303
117 HB3 LEU 16 1HB LEU 16 3.775 6.399 6.986
118 HG LEU 16 HG LEU 16 2.065 8.375 8.429
119 HD11 LEU 16 1HD1 LEU 16 2.409 7.215 10.591
120 HD12 LEU 16 2HD1 LEU 16 3.103 5.823 9.728
121 HD13 LEU 16 3HD1 LEU 16 1.393 6.255 9.489
122 HD21 LEU 16 3HD2 LEU 16 4.904 7.349 8.852
123 HD22 LEU 16 1HD2 LEU 16 4.456 8.807 7.935
124 HD23 LEU 16 2HD2 LEU 16 4.155 8.730 9.688
125 H ILE 17 H ILE 17 3.604 6.626 4.002
126 HA ILE 17 HA ILE 17 5.726 8.600 3.847
127 HB ILE 17 HB ILE 17 5.104 6.311 1.973
128 HG12 ILE 17 1HG1 ILE 17 5.149 5.295 4.126
129 HG13 ILE 17 2HG1 ILE 17 6.619 4.872 3.245
130 HG21 ILE 17 1HG2 ILE 17 6.829 7.917 1.208
131 HG22 ILE 17 2HG2 ILE 17 7.454 6.267 1.446
132 HG23 ILE 17 3HG2 ILE 17 7.792 7.530 2.654
133 HD11 ILE 17 3HD1 ILE 17 6.410 6.899 5.508
134 HD12 ILE 17 1HD1 ILE 17 7.092 5.258 5.620
135 HD13 ILE 17 2HD1 ILE 17 7.899 6.492 4.623
136 H ARG 18 H ARG 18 2.613 8.926 3.043
137 HA ARG 18 HA ARG 18 2.342 9.749 0.458
138 HB2 ARG 18 2HB ARG 18 0.489 11.118 1.302
139 HB3 ARG 18 1HB ARG 18 0.531 9.536 2.100
140 HG2 ARG 18 1HG ARG 18 1.707 10.614 4.046
141 HG3 ARG 18 2HG ARG 18 1.454 12.189 3.264
142 HD2 ARG 18 2HD ARG 18 -1.050 10.779 3.289
143 HD3 ARG 18 1HD ARG 18 -0.353 10.715 4.924
144 HE ARG 18 HE ARG 18 -0.485 13.023 5.087
145 HH11 ARG 18 2HH2 ARG 18 -1.450 12.092 1.848
146 HH12 ARG 18 1HH2 ARG 18 -2.196 13.617 1.486
147 HH21 ARG 18 2HH1 ARG 18 -1.489 15.008 4.592
148 HH22 ARG 18 1HH1 ARG 18 -2.212 15.244 3.037
149 H ALA 19 H ALA 19 2.457 11.715 -0.628
150 HA ALA 19 HA ALA 19 3.436 13.578 -1.385
151 HB1 ALA 19 1HB ALA 19 2.282 14.693 0.492
152 HB2 ALA 19 2HB ALA 19 3.696 14.395 1.531
153 HB3 ALA 19 3HB ALA 19 3.841 15.465 0.115
154 H PHE 20 H PHE 20 4.925 11.832 -1.941
155 HA PHE 20 HA PHE 20 7.664 12.340 -0.924
156 HB2 PHE 20 2HB PHE 20 6.318 10.014 -0.759
157 HB3 PHE 20 1HB PHE 20 6.954 9.846 -2.410
158 HD1 PHE 20 1HD PHE 20 7.818 10.176 1.155
159 HD2 PHE 20 2HD PHE 20 9.373 9.618 -2.810
160 HE1 PHE 20 1HE PHE 20 9.969 9.401 2.111
161 HE2 PHE 20 2HE PHE 20 11.521 8.831 -1.855
162 HZ PHE 20 HZ PHE 20 11.838 8.764 0.606
Start of MODEL 16
1 H1 HIS 1 H HIS 1 -6.321 -14.791 -6.918
2 HA HIS 1 HA HIS 1 -6.524 -12.079 -6.156
3 HB2 HIS 1 1HB HIS 1 -7.159 -12.408 -3.731
4 HB3 HIS 1 2HB HIS 1 -8.468 -12.475 -4.921
5 HD1 HIS 1 1HD HIS 1 -6.212 -15.258 -3.451
6 HD2 HIS 1 2HD HIS 1 -10.124 -14.322 -4.385
7 HE1 HIS 1 1HE HIS 1 -7.586 -17.344 -2.921
8 HE2 HIS 1 2HE HIS 1 -9.987 -16.749 -3.582
9 H GLY 2 H GLY 2 -4.634 -11.337 -5.351
10 HA2 GLY 2 1HA GLY 2 -2.889 -12.709 -3.631
11 HA3 GLY 2 2HA GLY 2 -2.382 -13.044 -5.300
12 H LEU 3 H LEU 3 -1.543 -11.371 -6.604
13 HA LEU 3 HA LEU 3 -0.310 -9.202 -5.334
14 HB2 LEU 3 2HB LEU 3 0.425 -8.481 -7.462
15 HB3 LEU 3 1HB LEU 3 0.423 -10.253 -7.467
16 HG LEU 3 HG LEU 3 -2.104 -9.127 -8.420
17 HD11 LEU 3 1HD1 LEU 3 -1.204 -8.290 -10.569
18 HD12 LEU 3 2HD1 LEU 3 -0.646 -7.315 -9.190
19 HD13 LEU 3 3HD1 LEU 3 0.450 -8.495 -9.946
20 HD21 LEU 3 3HD2 LEU 3 -1.471 -11.485 -8.677
21 HD22 LEU 3 1HD2 LEU 3 -1.704 -10.719 -10.266
22 HD23 LEU 3 2HD2 LEU 3 -0.059 -11.012 -9.652
23 H ALA 4 H ALA 4 -3.464 -9.300 -7.049
24 HA ALA 4 HA ALA 4 -4.099 -6.619 -7.039
25 HB1 ALA 4 1HB ALA 4 -5.425 -8.430 -8.072
26 HB2 ALA 4 2HB ALA 4 -6.425 -7.364 -7.055
27 HB3 ALA 4 3HB ALA 4 -5.937 -8.967 -6.454
28 H SER 5 H SER 5 -3.666 -8.672 -4.254
29 HA SER 5 HA SER 5 -4.945 -6.730 -2.443
30 HB2 SER 5 1HB SER 5 -5.438 -9.271 -2.395
31 HB3 SER 5 2HB SER 5 -3.812 -9.429 -1.687
32 HG SER 5 HG SER 5 -5.464 -9.167 -0.038
33 H THR 6 H THR 6 -1.797 -7.876 -3.578
34 HA THR 6 HA THR 6 -0.191 -7.096 -1.397
35 HB THR 6 HB THR 6 0.416 -8.491 -3.496
36 HG1 THR 6 1HG THR 6 2.680 -7.735 -3.111
37 HG21 THR 6 3HG2 THR 6 0.881 -7.488 -5.445
38 HG22 THR 6 1HG2 THR 6 2.118 -6.505 -4.626
39 HG23 THR 6 2HG2 THR 6 0.449 -5.903 -4.761
40 H LEU 7 H LEU 7 -1.743 -5.249 -3.948
41 HA LEU 7 HA LEU 7 -0.379 -2.787 -3.384
42 HB2 LEU 7 2HB LEU 7 -1.076 -2.317 -5.375
43 HB3 LEU 7 1HB LEU 7 -1.824 -3.897 -5.437
44 HG LEU 7 HG LEU 7 -3.291 -2.379 -6.353
45 HD11 LEU 7 1HD1 LEU 7 -5.074 -2.354 -4.204
46 HD12 LEU 7 2HD1 LEU 7 -4.069 -3.807 -3.999
47 HD13 LEU 7 3HD1 LEU 7 -4.946 -3.540 -5.525
48 HD21 LEU 7 3HD2 LEU 7 -3.293 -0.656 -3.882
49 HD22 LEU 7 1HD2 LEU 7 -2.395 -0.307 -5.379
50 HD23 LEU 7 2HD2 LEU 7 -4.173 -0.381 -5.405
51 H THR 8 H THR 8 -2.883 -4.499 -1.748
52 HA THR 8 HA THR 8 -4.218 -2.106 -0.721
53 HB THR 8 HB THR 8 -4.758 -5.060 -0.239
54 HG1 THR 8 1HG THR 8 -6.442 -4.651 -1.913
55 HG21 THR 8 3HG2 THR 8 -6.570 -2.629 0.065
56 HG22 THR 8 1HG2 THR 8 -7.045 -4.328 0.311
57 HG23 THR 8 2HG2 THR 8 -5.862 -3.567 1.402
58 H ARG 9 H ARG 9 -1.620 -4.253 0.081
59 HA ARG 9 HA ARG 9 -1.725 -3.511 2.921
60 HB2 ARG 9 2HB ARG 9 -1.479 -5.885 2.096
61 HB3 ARG 9 1HB ARG 9 0.139 -5.433 1.514
62 HG2 ARG 9 2HG ARG 9 0.998 -5.219 3.651
63 HG3 ARG 9 1HG ARG 9 -0.571 -4.739 4.351
64 HD2 ARG 9 1HD ARG 9 -1.415 -7.000 4.165
65 HD3 ARG 9 2HD ARG 9 0.014 -7.512 3.238
66 HE ARG 9 HE ARG 9 0.747 -6.407 5.777
67 HH11 ARG 9 2HH2 ARG 9 -0.621 -9.300 4.360
68 HH12 ARG 9 1HH2 ARG 9 0.015 -10.370 5.569
69 HH21 ARG 9 2HH1 ARG 9 1.597 -7.833 7.358
70 HH22 ARG 9 1HH1 ARG 9 1.254 -9.527 7.253
71 H TRP 10 H TRP 10 0.886 -3.596 0.307
72 HA TRP 10 HA TRP 10 2.581 -1.840 1.548
73 HB2 TRP 10 2HB TRP 10 3.666 -2.581 -0.216
74 HB3 TRP 10 1HB TRP 10 2.165 -2.955 -1.073
75 HD1 TRP 10 HD TRP 10 1.442 -1.415 -2.979
76 HE1 TRP 10 1HE TRP 10 2.368 0.686 -4.071
77 HE3 TRP 10 3HE TRP 10 5.122 -0.422 0.334
78 HZ2 TRP 10 2HZ TRP 10 4.444 2.531 -3.579
79 HZ3 TRP 10 3HZ TRP 10 6.352 1.731 0.182
80 HH2 TRP 10 HH TRP 10 6.076 3.162 -1.826
81 H ALA 11 H ALA 11 -0.449 -1.018 -0.100
82 HA ALA 11 HA ALA 11 -0.061 1.811 -0.143
83 HB1 ALA 11 1HB ALA 11 -2.557 1.874 -0.408
84 HB2 ALA 11 2HB ALA 11 -1.695 0.886 -1.612
85 HB3 ALA 11 3HB ALA 11 -2.553 0.099 -0.265
86 H HIS 12 H HIS 12 -0.305 -0.176 2.541
87 HA HIS 12 HA HIS 12 -1.549 1.932 4.207
88 HB2 HIS 12 1HB HIS 12 -1.467 -1.027 4.227
89 HB3 HIS 12 2HB HIS 12 -1.251 -0.258 5.806
90 HD1 HIS 12 1HD HIS 12 -3.570 -1.059 6.632
91 HD2 HIS 12 2HD HIS 12 -3.711 1.310 3.254
92 HE1 HIS 12 1HE HIS 12 -5.998 -0.298 6.401
93 HE2 HIS 12 2HE HIS 12 -6.045 1.175 4.307
94 H TYR 13 H TYR 13 1.398 1.259 3.066
95 HA TYR 13 HA TYR 13 2.837 1.703 5.617
96 HB2 TYR 13 2HB TYR 13 3.104 -0.240 3.716
97 HB3 TYR 13 1HB TYR 13 4.250 0.975 3.103
98 HD1 TYR 13 2HD TYR 13 3.355 -1.207 5.898
99 HD2 TYR 13 1HD TYR 13 6.272 1.570 4.411
100 HE1 TYR 13 2HE TYR 13 5.019 -2.140 7.464
101 HE2 TYR 13 1HE TYR 13 7.946 0.661 5.995
102 HH TYR 13 HH TYR 13 7.001 -1.835 8.403
103 H ASN 14 H ASN 14 3.468 2.424 2.126
104 HA ASN 14 HA ASN 14 4.736 4.901 2.527
105 HB2 ASN 14 2HB ASN 14 4.397 5.243 0.142
106 HB3 ASN 14 1HB ASN 14 4.900 3.569 0.461
107 HD21 ASN 14 2HD2 ASN 14 2.103 5.658 -0.305
108 HD22 ASN 14 1HD2 ASN 14 1.132 4.386 -0.932
109 H ALA 15 H ALA 15 1.340 4.160 2.895
110 HA ALA 15 HA ALA 15 0.005 6.416 2.077
111 HB1 ALA 15 1HB ALA 15 -0.993 4.406 3.110
112 HB2 ALA 15 2HB ALA 15 -0.329 4.895 4.687
113 HB3 ALA 15 3HB ALA 15 -1.560 5.902 3.889
114 H LEU 16 H LEU 16 2.303 6.116 4.718
115 HA LEU 16 HA LEU 16 1.892 8.922 5.532
116 HB2 LEU 16 1HB LEU 16 2.340 6.536 6.951
117 HB3 LEU 16 2HB LEU 16 3.853 7.455 7.074
118 HG LEU 16 HG LEU 16 1.155 8.741 7.584
119 HD11 LEU 16 1HD1 LEU 16 1.386 6.777 9.078
120 HD12 LEU 16 2HD1 LEU 16 1.493 8.306 9.983
121 HD13 LEU 16 3HD1 LEU 16 2.970 7.381 9.619
122 HD21 LEU 16 3HD2 LEU 16 3.971 9.402 8.547
123 HD22 LEU 16 1HD2 LEU 16 3.101 10.242 7.241
124 HD23 LEU 16 2HD2 LEU 16 2.494 10.326 8.912
125 H ILE 17 H ILE 17 4.310 6.726 4.063
126 HA ILE 17 HA ILE 17 6.383 8.739 3.964
127 HB ILE 17 HB ILE 17 6.306 6.097 2.473
128 HG12 ILE 17 2HG1 ILE 17 7.400 6.495 5.278
129 HG13 ILE 17 1HG1 ILE 17 5.774 5.871 4.972
130 HG21 ILE 17 1HG2 ILE 17 8.130 7.704 1.926
131 HG22 ILE 17 2HG2 ILE 17 8.588 7.753 3.646
132 HG23 ILE 17 3HG2 ILE 17 8.755 6.239 2.723
133 HD11 ILE 17 3HD1 ILE 17 6.723 3.943 3.757
134 HD12 ILE 17 1HD1 ILE 17 7.353 4.040 5.419
135 HD13 ILE 17 2HD1 ILE 17 8.365 4.565 4.052
136 H ARG 18 H ARG 18 3.538 8.624 2.330
137 HA ARG 18 HA ARG 18 4.610 9.600 -0.216
138 HB2 ARG 18 2HB ARG 18 2.125 8.329 0.678
139 HB3 ARG 18 1HB ARG 18 1.835 9.766 -0.323
140 HG2 ARG 18 1HG ARG 18 3.795 8.560 -1.780
141 HG3 ARG 18 2HG ARG 18 3.003 7.134 -1.064
142 HD2 ARG 18 1HD ARG 18 0.852 8.742 -1.789
143 HD3 ARG 18 2HD ARG 18 2.008 9.012 -3.113
144 HE ARG 18 HE ARG 18 1.824 6.796 -3.741
145 HH11 ARG 18 2HH2 ARG 18 -0.010 7.277 -0.780
146 HH12 ARG 18 1HH2 ARG 18 -0.841 5.762 -0.883
147 HH21 ARG 18 2HH1 ARG 18 0.761 4.781 -3.820
148 HH22 ARG 18 1HH1 ARG 18 -0.412 4.367 -2.619
149 H ALA 19 H ALA 19 2.390 10.650 2.412
150 HA ALA 19 HA ALA 19 1.452 12.574 2.983
151 HB1 ALA 19 1HB ALA 19 2.854 14.611 2.913
152 HB2 ALA 19 2HB ALA 19 3.732 13.195 3.538
153 HB3 ALA 19 3HB ALA 19 4.018 13.755 1.874
154 H PHE 20 H PHE 20 -0.141 11.996 1.407
155 HA PHE 20 HA PHE 20 -0.323 13.811 -0.917
156 HB2 PHE 20 2HB PHE 20 -0.487 11.443 -1.408
157 HB3 PHE 20 1HB PHE 20 -1.716 11.224 -0.150
158 HD1 PHE 20 2HD PHE 20 -4.043 12.006 -0.495
159 HD2 PHE 20 1HD PHE 20 -1.064 12.397 -3.570
160 HE1 PHE 20 2HE PHE 20 -5.803 12.604 -2.111
161 HE2 PHE 20 1HE PHE 20 -2.852 12.868 -5.223
162 HZ PHE 20 HZ PHE 20 -5.224 12.959 -4.498
Start of MODEL 17
1 H1 HIS 1 H HIS 1 -8.990 -10.949 -4.826
2 HA HIS 1 HA HIS 1 -9.821 -12.438 -7.093
3 HB2 HIS 1 1HB HIS 1 -8.296 -9.908 -7.766
4 HB3 HIS 1 2HB HIS 1 -8.477 -11.281 -8.870
5 HD1 HIS 1 1HD HIS 1 -10.744 -11.323 -10.206
6 HD2 HIS 1 2HD HIS 1 -10.590 -8.542 -7.153
7 HE1 HIS 1 1HE HIS 1 -12.867 -9.923 -10.415
8 HE2 HIS 1 2HE HIS 1 -12.726 -8.203 -8.523
9 H GLY 2 H GLY 2 -6.803 -10.589 -6.293
10 HA2 GLY 2 2HA GLY 2 -5.449 -12.676 -4.986
11 HA3 GLY 2 1HA GLY 2 -4.976 -12.696 -6.699
12 H LEU 3 H LEU 3 -3.721 -11.062 -7.556
13 HA LEU 3 HA LEU 3 -2.083 -9.548 -5.894
14 HB2 LEU 3 1HB LEU 3 -1.197 -8.505 -7.837
15 HB3 LEU 3 2HB LEU 3 -1.512 -10.209 -8.203
16 HG LEU 3 HG LEU 3 -3.716 -8.341 -8.868
17 HD11 LEU 3 1HD1 LEU 3 -2.594 -7.526 -10.918
18 HD12 LEU 3 2HD1 LEU 3 -1.077 -8.287 -10.381
19 HD13 LEU 3 3HD1 LEU 3 -1.781 -6.948 -9.444
20 HD21 LEU 3 3HD2 LEU 3 -3.803 -9.716 -10.903
21 HD22 LEU 3 1HD2 LEU 3 -3.760 -10.743 -9.450
22 HD23 LEU 3 2HD2 LEU 3 -2.291 -10.528 -10.432
23 H ALA 4 H ALA 4 -5.015 -8.424 -7.679
24 HA ALA 4 HA ALA 4 -5.156 -5.839 -7.012
25 HB1 ALA 4 1HB ALA 4 -6.838 -7.115 -8.299
26 HB2 ALA 4 2HB ALA 4 -7.447 -7.820 -6.782
27 HB3 ALA 4 3HB ALA 4 -7.585 -6.070 -7.067
28 H SER 5 H SER 5 -5.325 -8.455 -4.672
29 HA SER 5 HA SER 5 -6.347 -6.741 -2.509
30 HB2 SER 5 1HB SER 5 -7.125 -9.153 -2.943
31 HB3 SER 5 2HB SER 5 -5.519 -9.654 -2.359
32 HG SER 5 HG SER 5 -7.122 -9.564 -0.632
33 H THR 6 H THR 6 -3.406 -8.710 -3.374
34 HA THR 6 HA THR 6 -1.749 -7.970 -1.316
35 HB THR 6 HB THR 6 0.119 -8.483 -2.708
36 HG1 THR 6 1HG THR 6 -1.557 -7.641 -4.794
37 HG21 THR 6 3HG2 THR 6 -1.212 -10.398 -1.984
38 HG22 THR 6 1HG2 THR 6 -0.519 -10.696 -3.597
39 HG23 THR 6 2HG2 THR 6 -2.237 -10.259 -3.432
40 H LEU 7 H LEU 7 -2.795 -5.947 -3.993
41 HA LEU 7 HA LEU 7 -0.943 -3.793 -3.291
42 HB2 LEU 7 2HB LEU 7 -2.859 -4.332 -5.556
43 HB3 LEU 7 1HB LEU 7 -2.247 -2.694 -5.246
44 HG LEU 7 HG LEU 7 -0.006 -4.431 -5.142
45 HD11 LEU 7 1HD1 LEU 7 -0.387 -5.025 -7.779
46 HD12 LEU 7 2HD1 LEU 7 -2.033 -5.263 -7.142
47 HD13 LEU 7 3HD1 LEU 7 -0.669 -6.170 -6.445
48 HD21 LEU 7 3HD2 LEU 7 -0.007 -2.074 -5.827
49 HD22 LEU 7 1HD2 LEU 7 0.711 -3.093 -7.097
50 HD23 LEU 7 2HD2 LEU 7 -0.950 -2.482 -7.280
51 H THR 8 H THR 8 -3.779 -4.847 -1.963
52 HA THR 8 HA THR 8 -4.851 -2.171 -1.402
53 HB THR 8 HB THR 8 -5.928 -4.986 -1.010
54 HG1 THR 8 1HG THR 8 -7.331 -4.312 -2.727
55 HG21 THR 8 3HG2 THR 8 -7.380 -2.353 -0.513
56 HG22 THR 8 1HG2 THR 8 -8.101 -3.980 -0.466
57 HG23 THR 8 2HG2 THR 8 -6.888 -3.509 0.747
58 H ARG 9 H ARG 9 -2.805 -4.617 -0.055
59 HA ARG 9 HA ARG 9 -3.139 -3.604 2.680
60 HB2 ARG 9 1HB ARG 9 -2.943 -6.105 1.962
61 HB3 ARG 9 2HB ARG 9 -1.202 -5.755 1.843
62 HG2 ARG 9 1HG ARG 9 -1.929 -4.581 4.261
63 HG3 ARG 9 2HG ARG 9 -2.902 -6.067 4.225
64 HD2 ARG 9 1HD ARG 9 -1.059 -7.149 4.949
65 HD3 ARG 9 2HD ARG 9 -0.377 -6.885 3.326
66 HE ARG 9 HE ARG 9 0.945 -5.170 4.160
67 HH11 ARG 9 2HH2 ARG 9 -1.435 -5.868 6.665
68 HH12 ARG 9 1HH2 ARG 9 -0.593 -4.924 7.852
69 HH21 ARG 9 2HH1 ARG 9 1.983 -3.959 5.780
70 HH22 ARG 9 1HH1 ARG 9 1.315 -3.946 7.367
71 H TRP 10 H TRP 10 -0.215 -4.258 0.492
72 HA TRP 10 HA TRP 10 1.489 -2.561 1.807
73 HB2 TRP 10 1HB TRP 10 2.723 -3.606 0.323
74 HB3 TRP 10 2HB TRP 10 1.332 -3.938 -0.718
75 HD1 TRP 10 HD TRP 10 1.092 -2.550 -2.874
76 HE1 TRP 10 1HE TRP 10 2.441 -0.719 -4.006
77 HE3 TRP 10 3HE TRP 10 4.329 -1.593 0.880
78 HZ2 TRP 10 2HZ TRP 10 4.640 0.935 -3.348
79 HZ3 TRP 10 3HZ TRP 10 5.838 0.368 0.731
80 HH2 TRP 10 HH TRP 10 6.043 1.589 -1.419
81 H ALA 11 H ALA 11 -1.145 -1.613 -0.330
82 HA ALA 11 HA ALA 11 -0.395 1.124 -0.667
83 HB1 ALA 11 1HB ALA 11 -2.860 1.348 -1.249
84 HB2 ALA 11 2HB ALA 11 -2.984 -0.406 -0.974
85 HB3 ALA 11 3HB ALA 11 -1.906 0.223 -2.243
86 H HIS 12 H HIS 12 -1.280 -0.490 2.201
87 HA HIS 12 HA HIS 12 -2.678 1.783 3.361
88 HB2 HIS 12 2HB HIS 12 -3.437 0.329 4.859
89 HB3 HIS 12 1HB HIS 12 -2.817 -0.906 3.758
90 HD1 HIS 12 1HD HIS 12 -1.491 1.019 6.759
91 HD2 HIS 12 2HD HIS 12 -1.116 -2.609 4.845
92 HE1 HIS 12 1HE HIS 12 0.052 -0.387 8.232
93 HE2 HIS 12 2HE HIS 12 0.329 -2.585 6.959
94 H TYR 13 H TYR 13 0.570 0.642 2.960
95 HA TYR 13 HA TYR 13 1.790 1.930 5.223
96 HB2 TYR 13 1HB TYR 13 2.828 -0.010 4.294
97 HB3 TYR 13 2HB TYR 13 2.813 0.675 2.659
98 HD1 TYR 13 2HD TYR 13 4.329 0.972 6.039
99 HD2 TYR 13 1HD TYR 13 4.562 2.222 1.932
100 HE1 TYR 13 2HE TYR 13 6.621 1.797 6.418
101 HE2 TYR 13 1HE TYR 13 6.795 3.163 2.334
102 HH TYR 13 HH TYR 13 8.279 3.051 5.593
103 H ASN 14 H ASN 14 2.570 2.523 1.779
104 HA ASN 14 HA ASN 14 3.363 5.128 1.983
105 HB2 ASN 14 2HB ASN 14 3.255 5.268 -0.372
106 HB3 ASN 14 1HB ASN 14 3.592 3.567 -0.001
107 HD21 ASN 14 2HD2 ASN 14 2.169 1.976 -0.832
108 HD22 ASN 14 1HD2 ASN 14 0.611 2.426 -1.476
109 H ALA 15 H ALA 15 0.010 3.993 2.054
110 HA ALA 15 HA ALA 15 -1.411 6.229 1.229
111 HB1 ALA 15 1HB ALA 15 -2.803 5.354 3.443
112 HB2 ALA 15 2HB ALA 15 -2.910 4.639 1.816
113 HB3 ALA 15 3HB ALA 15 -1.820 3.928 3.032
114 H LEU 16 H LEU 16 0.139 5.590 4.384
115 HA LEU 16 HA LEU 16 -0.403 8.360 5.276
116 HB2 LEU 16 2HB LEU 16 -1.234 6.510 6.701
117 HB3 LEU 16 1HB LEU 16 0.420 5.887 6.836
118 HG LEU 16 HG LEU 16 0.898 8.366 7.661
119 HD11 LEU 16 1HD1 LEU 16 -0.916 9.221 9.094
120 HD12 LEU 16 2HD1 LEU 16 -1.362 9.216 7.372
121 HD13 LEU 16 3HD1 LEU 16 -2.000 7.961 8.459
122 HD21 LEU 16 3HD2 LEU 16 -0.263 6.156 9.380
123 HD22 LEU 16 1HD2 LEU 16 0.693 7.534 9.977
124 HD23 LEU 16 2HD2 LEU 16 1.436 6.344 8.881
125 H ILE 17 H ILE 17 2.190 5.995 4.559
126 HA ILE 17 HA ILE 17 4.319 7.781 5.415
127 HB ILE 17 HB ILE 17 4.364 5.160 3.898
128 HG12 ILE 17 1HG1 ILE 17 3.261 4.875 6.046
129 HG13 ILE 17 2HG1 ILE 17 4.781 3.988 5.937
130 HG21 ILE 17 1HG2 ILE 17 6.706 5.182 5.287
131 HG22 ILE 17 2HG2 ILE 17 6.535 6.903 4.868
132 HG23 ILE 17 3HG2 ILE 17 6.524 5.669 3.585
133 HD11 ILE 17 3HD1 ILE 17 4.317 6.559 7.499
134 HD12 ILE 17 1HD1 ILE 17 4.463 4.921 8.177
135 HD13 ILE 17 2HD1 ILE 17 5.864 5.685 7.389
136 H ARG 18 H ARG 18 2.239 8.244 2.968
137 HA ARG 18 HA ARG 18 3.594 8.570 0.649
138 HB2 ARG 18 2HB ARG 18 1.255 9.862 1.874
139 HB3 ARG 18 1HB ARG 18 2.121 10.911 0.729
140 HG2 ARG 18 1HG ARG 18 2.096 8.531 -0.636
141 HG3 ARG 18 2HG ARG 18 0.553 8.444 0.238
142 HD2 ARG 18 2HD ARG 18 0.131 10.840 -0.643
143 HD3 ARG 18 1HD ARG 18 1.476 10.523 -1.765
144 HE ARG 18 HE ARG 18 0.199 8.876 -2.836
145 HH11 ARG 18 2HH2 ARG 18 -1.550 9.978 -0.005
146 HH12 ARG 18 1HH2 ARG 18 -3.076 9.352 -0.534
147 HH21 ARG 18 2HH1 ARG 18 -1.825 8.013 -3.488
148 HH22 ARG 18 1HH1 ARG 18 -3.209 8.242 -2.473
149 H ALA 19 H ALA 19 4.712 10.127 -0.394
150 HA ALA 19 HA ALA 19 6.415 11.569 -0.696
151 HB1 ALA 19 1HB ALA 19 6.196 13.800 0.368
152 HB2 ALA 19 2HB ALA 19 4.654 13.225 -0.309
153 HB3 ALA 19 3HB ALA 19 4.937 13.150 1.446
154 H PHE 20 H PHE 20 7.550 9.612 0.351
155 HA PHE 20 HA PHE 20 8.922 8.634 1.816
156 HB2 PHE 20 2HB PHE 20 10.486 9.846 0.685
157 HB3 PHE 20 1HB PHE 20 9.915 11.396 1.319
158 HD1 PHE 20 2HD PHE 20 11.546 8.222 2.547
159 HD2 PHE 20 1HD PHE 20 10.965 12.439 3.052
160 HE1 PHE 20 2HE PHE 20 13.207 8.230 4.388
161 HE2 PHE 20 1HE PHE 20 12.628 12.461 4.885
162 HZ PHE 20 HZ PHE 20 13.783 10.358 5.529
Start of MODEL 18
1 H1 HIS 1 H HIS 1 -6.439 -10.832 -7.693
2 HA HIS 1 HA HIS 1 -7.592 -11.426 -5.186
3 HB2 HIS 1 1HB HIS 1 -8.440 -13.199 -7.370
4 HB3 HIS 1 2HB HIS 1 -7.803 -14.044 -5.953
5 HD1 HIS 1 1HD HIS 1 -10.039 -14.897 -4.999
6 HD2 HIS 1 2HD HIS 1 -10.039 -10.851 -5.815
7 HE1 HIS 1 1HE HIS 1 -12.242 -13.989 -4.080
8 HE2 HIS 1 2HE HIS 1 -12.202 -11.488 -4.597
9 H GLY 2 H GLY 2 -5.232 -10.562 -5.438
10 HA2 GLY 2 1HA GLY 2 -3.451 -12.420 -4.326
11 HA3 GLY 2 2HA GLY 2 -3.078 -12.289 -6.057
12 H LEU 3 H LEU 3 -2.309 -10.315 -6.924
13 HA LEU 3 HA LEU 3 -0.793 -8.674 -5.255
14 HB2 LEU 3 2HB LEU 3 -0.306 -7.318 -7.148
15 HB3 LEU 3 1HB LEU 3 -0.348 -9.015 -7.651
16 HG LEU 3 HG LEU 3 -2.875 -7.465 -7.963
17 HD11 LEU 3 1HD1 LEU 3 -2.082 -6.473 -10.088
18 HD12 LEU 3 2HD1 LEU 3 -1.184 -5.838 -8.688
19 HD13 LEU 3 3HD1 LEU 3 -0.439 -7.063 -9.743
20 HD21 LEU 3 3HD2 LEU 3 -1.377 -9.422 -9.753
21 HD22 LEU 3 1HD2 LEU 3 -2.700 -9.841 -8.637
22 HD23 LEU 3 2HD2 LEU 3 -3.015 -8.786 -10.036
23 H ALA 4 H ALA 4 -4.085 -8.086 -6.549
24 HA ALA 4 HA ALA 4 -4.532 -5.521 -5.709
25 HB1 ALA 4 1HB ALA 4 -6.084 -6.913 -7.035
26 HB2 ALA 4 2HB ALA 4 -6.896 -6.133 -5.657
27 HB3 ALA 4 3HB ALA 4 -6.469 -7.858 -5.576
28 H SER 5 H SER 5 -4.079 -8.325 -3.691
29 HA SER 5 HA SER 5 -5.164 -7.124 -1.244
30 HB2 SER 5 2HB SER 5 -5.624 -9.476 -1.520
31 HB3 SER 5 1HB SER 5 -3.922 -9.820 -1.900
32 HG SER 5 HG SER 5 -4.285 -10.354 0.297
33 H THR 6 H THR 6 -1.992 -8.368 -2.550
34 HA THR 6 HA THR 6 -0.333 -7.516 -0.555
35 HB THR 6 HB THR 6 1.475 -7.519 -2.128
36 HG1 THR 6 1HG THR 6 -0.527 -6.845 -3.975
37 HG21 THR 6 3HG2 THR 6 0.592 -9.708 -1.498
38 HG22 THR 6 1HG2 THR 6 1.175 -9.732 -3.180
39 HG23 THR 6 2HG2 THR 6 -0.571 -9.647 -2.843
40 H LEU 7 H LEU 7 -1.948 -5.469 -2.890
41 HA LEU 7 HA LEU 7 -0.474 -3.069 -2.090
42 HB2 LEU 7 1HB LEU 7 -2.496 -3.761 -4.226
43 HB3 LEU 7 2HB LEU 7 -2.097 -2.076 -3.834
44 HG LEU 7 HG LEU 7 0.326 -3.643 -4.156
45 HD11 LEU 7 1HD1 LEU 7 -1.080 -5.048 -5.631
46 HD12 LEU 7 2HD1 LEU 7 -1.584 -3.596 -6.528
47 HD13 LEU 7 3HD1 LEU 7 0.118 -4.119 -6.565
48 HD21 LEU 7 3HD2 LEU 7 -0.880 -1.316 -5.711
49 HD22 LEU 7 1HD2 LEU 7 0.817 -1.850 -5.795
50 HD23 LEU 7 2HD2 LEU 7 0.167 -1.184 -4.277
51 H THR 8 H THR 8 -2.948 -4.781 -0.677
52 HA THR 8 HA THR 8 -4.411 -2.421 0.264
53 HB THR 8 HB THR 8 -4.874 -5.419 0.453
54 HG1 THR 8 1HG THR 8 -6.618 -4.846 -1.020
55 HG21 THR 8 3HG2 THR 8 -6.750 -3.200 1.364
56 HG22 THR 8 1HG2 THR 8 -7.131 -4.937 1.289
57 HG23 THR 8 2HG2 THR 8 -5.907 -4.343 2.436
58 H ARG 9 H ARG 9 -1.809 -4.514 1.172
59 HA ARG 9 HA ARG 9 -2.011 -3.706 3.997
60 HB2 ARG 9 2HB ARG 9 -0.198 -5.722 2.652
61 HB3 ARG 9 1HB ARG 9 -0.114 -5.266 4.362
62 HG2 ARG 9 1HG ARG 9 -1.426 -7.115 4.583
63 HG3 ARG 9 2HG ARG 9 -2.713 -5.932 4.259
64 HD2 ARG 9 2HD ARG 9 -3.169 -6.809 2.198
65 HD3 ARG 9 1HD ARG 9 -1.452 -7.122 1.841
66 HE ARG 9 HE ARG 9 -3.359 -8.884 3.152
67 HH11 ARG 9 2HH2 ARG 9 0.078 -8.330 2.571
68 HH12 ARG 9 1HH2 ARG 9 0.533 -9.946 2.998
69 HH21 ARG 9 2HH1 ARG 9 -2.694 -10.975 3.755
70 HH22 ARG 9 1HH1 ARG 9 -1.025 -11.418 3.641
71 H TRP 10 H TRP 10 0.594 -3.811 1.408
72 HA TRP 10 HA TRP 10 2.336 -2.104 2.767
73 HB2 TRP 10 1HB TRP 10 3.524 -2.981 1.137
74 HB3 TRP 10 2HB TRP 10 2.082 -3.387 0.196
75 HD1 TRP 10 HD TRP 10 1.502 -1.896 -1.829
76 HE1 TRP 10 1HE TRP 10 2.584 0.098 -2.970
77 HE3 TRP 10 3HE TRP 10 5.066 -0.930 1.611
78 HZ2 TRP 10 2HZ TRP 10 4.729 1.862 -2.454
79 HZ3 TRP 10 3HZ TRP 10 6.422 1.144 1.421
80 HH2 TRP 10 HH TRP 10 6.302 2.498 -0.650
81 H ALA 11 H ALA 11 -0.554 -1.349 0.900
82 HA ALA 11 HA ALA 11 -0.079 1.498 0.785
83 HB1 ALA 11 1HB ALA 11 -2.343 1.601 -0.082
84 HB2 ALA 11 2HB ALA 11 -2.634 -0.089 0.391
85 HB3 ALA 11 3HB ALA 11 -1.450 0.286 -0.883
86 H HIS 12 H HIS 12 -0.543 -0.368 3.469
87 HA HIS 12 HA HIS 12 -1.933 1.814 4.891
88 HB2 HIS 12 1HB HIS 12 -1.952 -1.102 4.995
89 HB3 HIS 12 2HB HIS 12 -1.615 -0.386 6.582
90 HD1 HIS 12 1HD HIS 12 -3.787 -0.285 7.805
91 HD2 HIS 12 2HD HIS 12 -4.217 0.626 3.807
92 HE1 HIS 12 1HE HIS 12 -6.254 0.311 7.475
93 HE2 HIS 12 2HE HIS 12 -6.482 0.864 4.993
94 H TYR 13 H TYR 13 1.116 1.034 4.059
95 HA TYR 13 HA TYR 13 2.372 1.754 6.635
96 HB2 TYR 13 1HB TYR 13 3.217 0.282 4.145
97 HB3 TYR 13 2HB TYR 13 4.447 1.046 5.171
98 HD1 TYR 13 2HD TYR 13 1.893 -1.611 4.971
99 HD2 TYR 13 1HD TYR 13 4.915 0.256 7.365
100 HE1 TYR 13 2HE TYR 13 2.017 -3.645 6.364
101 HE2 TYR 13 1HE TYR 13 5.078 -1.778 8.763
102 HH TYR 13 HH TYR 13 2.803 -4.514 8.258
103 H ASN 14 H ASN 14 3.704 2.194 3.370
104 HA ASN 14 HA ASN 14 4.482 4.867 3.746
105 HB2 ASN 14 2HB ASN 14 5.279 3.036 2.058
106 HB3 ASN 14 1HB ASN 14 3.992 3.690 1.023
107 HD21 ASN 14 2HD2 ASN 14 4.113 6.017 0.434
108 HD22 ASN 14 1HD2 ASN 14 5.693 6.740 0.395
109 H ALA 15 H ALA 15 1.253 3.661 3.052
110 HA ALA 15 HA ALA 15 -0.016 5.609 1.674
111 HB1 ALA 15 1HB ALA 15 -1.393 5.269 4.189
112 HB2 ALA 15 2HB ALA 15 -0.674 3.721 3.686
113 HB3 ALA 15 3HB ALA 15 -1.784 4.584 2.593
114 H LEU 16 H LEU 16 1.449 6.017 4.884
115 HA LEU 16 HA LEU 16 0.560 8.827 5.006
116 HB2 LEU 16 2HB LEU 16 0.724 6.772 6.912
117 HB3 LEU 16 1HB LEU 16 2.054 7.883 7.301
118 HG LEU 16 HG LEU 16 -0.787 8.831 6.801
119 HD11 LEU 16 1HD1 LEU 16 -0.749 7.236 8.697
120 HD12 LEU 16 2HD1 LEU 16 0.548 8.185 9.461
121 HD13 LEU 16 3HD1 LEU 16 -1.067 8.900 9.243
122 HD21 LEU 16 3HD2 LEU 16 -0.051 10.830 8.035
123 HD22 LEU 16 1HD2 LEU 16 0.995 10.549 6.623
124 HD23 LEU 16 2HD2 LEU 16 1.565 10.116 8.253
125 H ILE 17 H ILE 17 3.487 6.806 4.717
126 HA ILE 17 HA ILE 17 5.308 9.052 4.891
127 HB ILE 17 HB ILE 17 5.842 6.227 3.961
128 HG12 ILE 17 2HG1 ILE 17 4.764 5.899 6.050
129 HG13 ILE 17 1HG1 ILE 17 6.498 5.638 6.251
130 HG21 ILE 17 1HG2 ILE 17 7.662 7.868 3.605
131 HG22 ILE 17 2HG2 ILE 17 7.709 8.158 5.360
132 HG23 ILE 17 3HG2 ILE 17 8.107 6.549 4.713
133 HD11 ILE 17 3HD1 ILE 17 6.721 7.826 7.367
134 HD12 ILE 17 1HD1 ILE 17 5.545 6.783 8.200
135 HD13 ILE 17 2HD1 ILE 17 4.976 8.110 7.161
136 H ARG 18 H ARG 18 3.098 8.432 2.608
137 HA ARG 18 HA ARG 18 4.687 8.727 0.193
138 HB2 ARG 18 1HB ARG 18 2.217 7.625 0.859
139 HB3 ARG 18 2HB ARG 18 1.767 9.151 0.075
140 HG2 ARG 18 2HG ARG 18 3.761 7.263 -1.197
141 HG3 ARG 18 1HG ARG 18 2.016 7.017 -1.383
142 HD2 ARG 18 1HD ARG 18 1.728 9.011 -2.594
143 HD3 ARG 18 2HD ARG 18 3.270 9.690 -2.029
144 HE ARG 18 HE ARG 18 2.835 7.952 -4.288
145 HH11 ARG 18 2HH2 ARG 18 5.295 8.752 -1.900
146 HH12 ARG 18 1HH2 ARG 18 6.613 8.361 -2.953
147 HH21 ARG 18 2HH1 ARG 18 4.619 7.362 -5.602
148 HH22 ARG 18 1HH1 ARG 18 6.221 7.544 -4.978
149 H ALA 19 H ALA 19 4.922 10.548 -0.978
150 HA ALA 19 HA ALA 19 3.568 13.015 -0.081
151 HB1 ALA 19 1HB ALA 19 5.712 14.212 -0.453
152 HB2 ALA 19 2HB ALA 19 6.508 12.654 -0.783
153 HB3 ALA 19 3HB ALA 19 5.838 12.988 0.832
154 H PHE 20 H PHE 20 2.230 11.873 -1.900
155 HA PHE 20 HA PHE 20 2.838 11.802 -4.547
156 HB2 PHE 20 1HB PHE 20 0.701 11.190 -3.341
157 HB3 PHE 20 2HB PHE 20 0.249 12.905 -3.403
158 HD1 PHE 20 2HD PHE 20 1.396 10.119 -5.611
159 HD2 PHE 20 1HD PHE 20 -0.945 13.708 -5.310
160 HE1 PHE 20 2HE PHE 20 0.450 9.684 -7.859
161 HE2 PHE 20 1HE PHE 20 -1.905 13.264 -7.554
162 HZ PHE 20 HZ PHE 20 -1.198 11.262 -8.836
Start of MODEL 19
1 H1 HIS 1 H HIS 1 -7.759 -11.513 -4.057
2 HA HIS 1 HA HIS 1 -8.518 -13.048 -6.318
3 HB2 HIS 1 2HB HIS 1 -8.950 -10.646 -7.144
4 HB3 HIS 1 1HB HIS 1 -7.188 -10.476 -7.177
5 HD1 HIS 1 1HD HIS 1 -9.868 -11.411 -9.394
6 HD2 HIS 1 2HD HIS 1 -5.963 -12.593 -8.771
7 HE1 HIS 1 1HE HIS 1 -9.151 -12.643 -11.515
8 HE2 HIS 1 2HE HIS 1 -6.725 -13.320 -11.105
9 H GLY 2 H GLY 2 -5.767 -10.763 -5.652
10 HA2 GLY 2 1HA GLY 2 -4.012 -12.659 -4.538
11 HA3 GLY 2 2HA GLY 2 -3.670 -12.533 -6.277
12 H LEU 3 H LEU 3 -2.739 -10.683 -7.124
13 HA LEU 3 HA LEU 3 -1.246 -9.002 -5.488
14 HB2 LEU 3 1HB LEU 3 -0.671 -7.749 -7.424
15 HB3 LEU 3 2HB LEU 3 -0.751 -9.463 -7.864
16 HG LEU 3 HG LEU 3 -3.258 -7.931 -8.275
17 HD11 LEU 3 1HD1 LEU 3 -2.423 -6.853 -10.343
18 HD12 LEU 3 2HD1 LEU 3 -0.774 -7.395 -9.950
19 HD13 LEU 3 3HD1 LEU 3 -1.602 -6.227 -8.893
20 HD21 LEU 3 3HD2 LEU 3 -3.281 -9.204 -10.378
21 HD22 LEU 3 1HD2 LEU 3 -2.979 -10.280 -8.992
22 HD23 LEU 3 2HD2 LEU 3 -1.634 -9.793 -10.052
23 H ALA 4 H ALA 4 -4.490 -8.412 -6.862
24 HA ALA 4 HA ALA 4 -4.916 -5.803 -6.142
25 HB1 ALA 4 1HB ALA 4 -6.463 -7.227 -7.440
26 HB2 ALA 4 2HB ALA 4 -7.288 -6.379 -6.111
27 HB3 ALA 4 3HB ALA 4 -6.887 -8.106 -5.952
28 H SER 5 H SER 5 -4.502 -8.515 -3.973
29 HA SER 5 HA SER 5 -5.612 -7.092 -1.647
30 HB2 SER 5 1HB SER 5 -6.146 -9.491 -1.931
31 HB3 SER 5 2HB SER 5 -4.407 -9.874 -1.924
32 HG SER 5 HG SER 5 -5.336 -10.134 0.207
33 H THR 6 H THR 6 -2.481 -8.509 -2.840
34 HA THR 6 HA THR 6 -0.812 -7.602 -0.868
35 HB THR 6 HB THR 6 1.006 -7.753 -2.411
36 HG1 THR 6 1HG THR 6 -0.932 -7.091 -4.325
37 HG21 THR 6 3HG2 THR 6 0.043 -9.882 -1.695
38 HG22 THR 6 1HG2 THR 6 0.649 -10.000 -3.365
39 HG23 THR 6 2HG2 THR 6 -1.098 -9.846 -3.062
40 H LEU 7 H LEU 7 -2.347 -5.639 -3.361
41 HA LEU 7 HA LEU 7 -0.767 -3.294 -2.687
42 HB2 LEU 7 1HB LEU 7 -1.975 -2.165 -4.411
43 HB3 LEU 7 2HB LEU 7 -1.306 -3.680 -5.015
44 HG LEU 7 HG LEU 7 -3.692 -4.628 -4.661
45 HD11 LEU 7 1HD1 LEU 7 -4.640 -2.714 -3.399
46 HD12 LEU 7 2HD1 LEU 7 -4.365 -1.663 -4.810
47 HD13 LEU 7 3HD1 LEU 7 -5.520 -3.014 -4.918
48 HD21 LEU 7 3HD2 LEU 7 -3.162 -2.535 -6.801
49 HD22 LEU 7 1HD2 LEU 7 -2.567 -4.212 -6.828
50 HD23 LEU 7 2HD2 LEU 7 -4.315 -3.885 -6.907
51 H THR 8 H THR 8 -3.380 -4.824 -1.215
52 HA THR 8 HA THR 8 -4.743 -2.369 -0.383
53 HB THR 8 HB THR 8 -5.329 -5.333 -0.136
54 HG1 THR 8 1HG THR 8 -7.066 -4.676 -1.583
55 HG21 THR 8 3HG2 THR 8 -7.113 -3.056 0.814
56 HG22 THR 8 1HG2 THR 8 -7.556 -4.777 0.730
57 HG23 THR 8 2HG2 THR 8 -6.299 -4.237 1.867
58 H ARG 9 H ARG 9 -2.244 -4.515 0.671
59 HA ARG 9 HA ARG 9 -2.505 -3.599 3.445
60 HB2 ARG 9 2HB ARG 9 -2.265 -6.015 2.871
61 HB3 ARG 9 1HB ARG 9 -0.631 -5.662 2.263
62 HG2 ARG 9 2HG ARG 9 0.195 -5.145 4.389
63 HG3 ARG 9 1HG ARG 9 -1.418 -4.765 5.034
64 HD2 ARG 9 2HD ARG 9 -0.634 -7.568 4.176
65 HD3 ARG 9 1HD ARG 9 -0.354 -6.960 5.825
66 HE ARG 9 HE ARG 9 -3.053 -6.474 5.001
67 HH11 ARG 9 2HH2 ARG 9 -0.988 -9.083 6.067
68 HH12 ARG 9 1HH2 ARG 9 -2.269 -9.997 6.795
69 HH21 ARG 9 2HH1 ARG 9 -4.747 -7.690 5.992
70 HH22 ARG 9 1HH1 ARG 9 -4.368 -9.205 6.737
71 H TRP 10 H TRP 10 0.165 -3.741 0.912
72 HA TRP 10 HA TRP 10 1.859 -2.002 2.285
73 HB2 TRP 10 1HB TRP 10 3.089 -2.842 0.674
74 HB3 TRP 10 2HB TRP 10 1.667 -3.299 -0.277
75 HD1 TRP 10 HD TRP 10 1.109 -1.885 -2.352
76 HE1 TRP 10 1HE TRP 10 2.129 0.140 -3.494
77 HE3 TRP 10 3HE TRP 10 4.512 -0.697 1.179
78 HZ2 TRP 10 2HZ TRP 10 4.177 2.009 -2.946
79 HZ3 TRP 10 3HZ TRP 10 5.772 1.438 0.996
80 HH2 TRP 10 HH TRP 10 5.657 2.752 -1.103
81 H ALA 11 H ALA 11 -1.017 -1.282 0.381
82 HA ALA 11 HA ALA 11 -0.609 1.550 0.192
83 HB1 ALA 11 1HB ALA 11 -3.043 1.576 -0.360
84 HB2 ALA 11 2HB ALA 11 -3.082 -0.178 -0.063
85 HB3 ALA 11 3HB ALA 11 -2.077 0.480 -1.376
86 H HIS 12 H HIS 12 -1.071 -0.300 2.946
87 HA HIS 12 HA HIS 12 -2.484 1.873 4.372
88 HB2 HIS 12 2HB HIS 12 -2.439 -1.062 4.488
89 HB3 HIS 12 1HB HIS 12 -2.196 -0.299 6.069
90 HD1 HIS 12 1HD HIS 12 -4.421 -0.294 7.191
91 HD2 HIS 12 2HD HIS 12 -4.696 0.642 3.182
92 HE1 HIS 12 1HE HIS 12 -6.883 0.266 6.758
93 HE2 HIS 12 2HE HIS 12 -7.012 0.833 4.274
94 H TYR 13 H TYR 13 0.557 1.213 3.527
95 HA TYR 13 HA TYR 13 1.772 1.883 6.145
96 HB2 TYR 13 1HB TYR 13 2.214 -0.199 4.354
97 HB3 TYR 13 2HB TYR 13 3.506 0.955 3.959
98 HD1 TYR 13 2HD TYR 13 1.799 -0.541 6.937
99 HD2 TYR 13 1HD TYR 13 5.480 0.870 5.227
100 HE1 TYR 13 2HE TYR 13 3.036 -1.507 8.835
101 HE2 TYR 13 1HE TYR 13 6.733 -0.097 7.129
102 HH TYR 13 HH TYR 13 4.983 -1.599 9.886
103 H ASN 14 H ASN 14 2.810 2.246 2.709
104 HA ASN 14 HA ASN 14 3.964 4.764 2.949
105 HB2 ASN 14 1HB ASN 14 4.244 3.156 1.054
106 HB3 ASN 14 2HB ASN 14 2.636 3.632 0.473
107 HD21 ASN 14 2HD2 ASN 14 3.007 4.847 -1.338
108 HD22 ASN 14 1HD2 ASN 14 4.109 6.201 -1.361
109 H ALA 15 H ALA 15 0.548 4.068 3.060
110 HA ALA 15 HA ALA 15 -0.645 6.315 1.965
111 HB1 ALA 15 1HB ALA 15 -1.911 5.788 4.433
112 HB2 ALA 15 2HB ALA 15 -2.342 5.143 2.832
113 HB3 ALA 15 3HB ALA 15 -1.236 4.234 3.890
114 H LEU 16 H LEU 16 1.385 6.074 4.840
115 HA LEU 16 HA LEU 16 0.912 8.906 5.532
116 HB2 LEU 16 1HB LEU 16 1.280 6.561 7.073
117 HB3 LEU 16 2HB LEU 16 2.744 7.545 7.290
118 HG LEU 16 HG LEU 16 0.978 9.502 7.536
119 HD11 LEU 16 1HD1 LEU 16 -1.066 8.779 8.718
120 HD12 LEU 16 2HD1 LEU 16 -0.635 7.080 8.408
121 HD13 LEU 16 3HD1 LEU 16 -1.005 8.166 7.047
122 HD21 LEU 16 3HD2 LEU 16 2.619 8.880 9.221
123 HD22 LEU 16 1HD2 LEU 16 1.039 9.181 9.984
124 HD23 LEU 16 2HD2 LEU 16 1.605 7.512 9.739
125 H ILE 17 H ILE 17 3.433 6.652 4.360
126 HA ILE 17 HA ILE 17 5.548 8.628 4.444
127 HB ILE 17 HB ILE 17 5.576 5.937 3.043
128 HG12 ILE 17 1HG1 ILE 17 6.426 6.361 5.917
129 HG13 ILE 17 2HG1 ILE 17 4.774 5.861 5.519
130 HG21 ILE 17 1HG2 ILE 17 7.485 7.489 2.660
131 HG22 ILE 17 2HG2 ILE 17 7.981 6.036 3.563
132 HG23 ILE 17 3HG2 ILE 17 7.748 7.580 4.419
133 HD11 ILE 17 3HD1 ILE 17 5.666 3.828 4.408
134 HD12 ILE 17 1HD1 ILE 17 6.170 3.921 6.112
135 HD13 ILE 17 2HD1 ILE 17 7.320 4.337 4.820
136 H ARG 18 H ARG 18 2.887 8.566 2.561
137 HA ARG 18 HA ARG 18 4.016 8.996 -0.047
138 HB2 ARG 18 2HB ARG 18 1.461 8.435 1.143
139 HB3 ARG 18 1HB ARG 18 1.316 9.893 0.137
140 HG2 ARG 18 2HG ARG 18 2.152 8.747 -1.799
141 HG3 ARG 18 1HG ARG 18 2.643 7.344 -0.833
142 HD2 ARG 18 1HD ARG 18 0.681 6.598 -1.831
143 HD3 ARG 18 2HD ARG 18 0.115 7.144 -0.242
144 HE ARG 18 HE ARG 18 -0.509 8.259 -2.841
145 HH11 ARG 18 2HH2 ARG 18 -0.619 9.000 0.614
146 HH12 ARG 18 1HH2 ARG 18 -1.844 10.204 0.414
147 HH21 ARG 18 2HH1 ARG 18 -2.093 9.852 -3.027
148 HH22 ARG 18 1HH1 ARG 18 -2.636 10.681 -1.609
149 H ALA 19 H ALA 19 5.420 10.650 0.241
150 HA ALA 19 HA ALA 19 4.288 13.295 -0.210
151 HB1 ALA 19 1HB ALA 19 5.603 14.358 1.607
152 HB2 ALA 19 2HB ALA 19 4.367 13.242 2.235
153 HB3 ALA 19 3HB ALA 19 6.076 12.744 2.191
154 H PHE 20 H PHE 20 5.327 12.132 -2.186
155 HA PHE 20 HA PHE 20 8.195 12.709 -2.386
156 HB2 PHE 20 2HB PHE 20 6.391 10.796 -3.510
157 HB3 PHE 20 1HB PHE 20 7.104 11.739 -4.833
158 HD1 PHE 20 2HD PHE 20 9.807 12.224 -4.348
159 HD2 PHE 20 1HD PHE 20 7.499 8.851 -3.016
160 HE1 PHE 20 2HE PHE 20 11.864 10.852 -4.255
161 HE2 PHE 20 1HE PHE 20 9.556 7.472 -2.949
162 HZ PHE 20 HZ PHE 20 11.739 8.466 -3.586
Start of MODEL 20
1 H1 HIS 1 H HIS 1 -7.588 -11.625 -4.145
2 HA HIS 1 HA HIS 1 -8.227 -13.103 -6.470
3 HB2 HIS 1 2HB HIS 1 -7.388 -10.260 -7.040
4 HB3 HIS 1 1HB HIS 1 -7.175 -11.580 -8.194
5 HD1 HIS 1 1HD HIS 1 -8.927 -9.398 -9.236
6 HD2 HIS 1 2HD HIS 1 -10.376 -12.518 -6.948
7 HE1 HIS 1 1HE HIS 1 -11.414 -9.567 -9.763
8 HE2 HIS 1 2HE HIS 1 -12.271 -11.510 -8.339
9 H GLY 2 H GLY 2 -5.599 -10.737 -5.675
10 HA2 GLY 2 2HA GLY 2 -3.763 -12.597 -4.646
11 HA3 GLY 2 1HA GLY 2 -3.426 -12.396 -6.379
12 H LEU 3 H LEU 3 -2.704 -10.432 -7.193
13 HA LEU 3 HA LEU 3 -1.207 -8.766 -5.528
14 HB2 LEU 3 2HB LEU 3 -0.753 -7.410 -7.433
15 HB3 LEU 3 1HB LEU 3 -0.766 -9.111 -7.926
16 HG LEU 3 HG LEU 3 -3.323 -7.608 -8.230
17 HD11 LEU 3 1HD1 LEU 3 -2.562 -6.618 -10.368
18 HD12 LEU 3 2HD1 LEU 3 -0.908 -7.179 -10.031
19 HD13 LEU 3 3HD1 LEU 3 -1.665 -5.958 -8.979
20 HD21 LEU 3 3HD2 LEU 3 -3.457 -8.945 -10.293
21 HD22 LEU 3 1HD2 LEU 3 -3.113 -9.985 -8.889
22 HD23 LEU 3 2HD2 LEU 3 -1.806 -9.553 -10.017
23 H ALA 4 H ALA 4 -4.514 -8.248 -6.809
24 HA ALA 4 HA ALA 4 -5.004 -5.681 -5.993
25 HB1 ALA 4 1HB ALA 4 -6.539 -7.115 -7.297
26 HB2 ALA 4 2HB ALA 4 -7.357 -6.339 -5.920
27 HB3 ALA 4 3HB ALA 4 -6.895 -8.055 -5.828
28 H SER 5 H SER 5 -4.459 -8.450 -3.952
29 HA SER 5 HA SER 5 -5.608 -7.222 -1.538
30 HB2 SER 5 2HB SER 5 -5.841 -9.721 -2.301
31 HB3 SER 5 1HB SER 5 -4.178 -9.877 -1.683
32 HG SER 5 HG SER 5 -5.780 -10.309 -0.019
33 H THR 6 H THR 6 -2.427 -8.462 -2.829
34 HA THR 6 HA THR 6 -0.770 -7.595 -0.824
35 HB THR 6 HB THR 6 1.028 -7.573 -2.402
36 HG1 THR 6 1HG THR 6 -0.974 -6.925 -4.251
37 HG21 THR 6 3HG2 THR 6 0.188 -9.777 -1.768
38 HG22 THR 6 1HG2 THR 6 0.767 -9.790 -3.451
39 HG23 THR 6 2HG2 THR 6 -0.979 -9.739 -3.111
40 H LEU 7 H LEU 7 -2.420 -5.589 -3.191
41 HA LEU 7 HA LEU 7 -0.994 -3.169 -2.367
42 HB2 LEU 7 1HB LEU 7 -2.924 -3.898 -4.554
43 HB3 LEU 7 2HB LEU 7 -2.713 -2.201 -4.083
44 HG LEU 7 HG LEU 7 -0.109 -3.260 -4.323
45 HD11 LEU 7 1HD1 LEU 7 -1.058 -5.166 -5.578
46 HD12 LEU 7 2HD1 LEU 7 -1.830 -4.031 -6.711
47 HD13 LEU 7 3HD1 LEU 7 -0.055 -4.129 -6.621
48 HD21 LEU 7 3HD2 LEU 7 -1.743 -1.524 -6.213
49 HD22 LEU 7 1HD2 LEU 7 0.032 -1.658 -6.204
50 HD23 LEU 7 2HD2 LEU 7 -0.814 -0.961 -4.802
51 H THR 8 H THR 8 -3.420 -4.926 -0.953
52 HA THR 8 HA THR 8 -4.932 -2.587 -0.037
53 HB THR 8 HB THR 8 -5.341 -5.586 0.123
54 HG1 THR 8 1HG THR 8 -7.144 -4.988 -1.270
55 HG21 THR 8 3HG2 THR 8 -7.235 -3.445 1.169
56 HG22 THR 8 1HG2 THR 8 -7.580 -5.187 1.038
57 HG23 THR 8 2HG2 THR 8 -6.337 -4.609 2.172
58 H ARG 9 H ARG 9 -2.261 -4.545 0.865
59 HA ARG 9 HA ARG 9 -2.471 -3.758 3.695
60 HB2 ARG 9 1HB ARG 9 -0.745 -5.792 2.268
61 HB3 ARG 9 2HB ARG 9 -0.569 -5.371 3.985
62 HG2 ARG 9 1HG ARG 9 -3.145 -5.905 4.096
63 HG3 ARG 9 2HG ARG 9 -2.835 -6.797 2.588
64 HD2 ARG 9 1HD ARG 9 -2.587 -8.342 4.447
65 HD3 ARG 9 2HD ARG 9 -0.967 -8.012 3.784
66 HE ARG 9 HE ARG 9 -1.811 -6.239 5.936
67 HH11 ARG 9 2HH2 ARG 9 0.016 -9.133 5.172
68 HH12 ARG 9 1HH2 ARG 9 0.875 -9.139 6.679
69 HH21 ARG 9 2HH1 ARG 9 -0.663 -6.273 7.902
70 HH22 ARG 9 1HH1 ARG 9 0.486 -7.531 8.195
71 H TRP 10 H TRP 10 0.127 -3.858 1.108
72 HA TRP 10 HA TRP 10 1.848 -2.108 2.428
73 HB2 TRP 10 2HB TRP 10 3.026 -3.009 0.793
74 HB3 TRP 10 1HB TRP 10 1.569 -3.424 -0.121
75 HD1 TRP 10 HD TRP 10 1.013 -2.023 -2.199
76 HE1 TRP 10 1HE TRP 10 2.045 -0.011 -3.361
77 HE3 TRP 10 3HE TRP 10 4.479 -0.880 1.280
78 HZ2 TRP 10 2HZ TRP 10 4.118 1.834 -2.847
79 HZ3 TRP 10 3HZ TRP 10 5.833 1.173 1.033
80 HH2 TRP 10 HH TRP 10 5.663 2.533 -1.035
81 H ALA 11 H ALA 11 -1.066 -1.409 0.583
82 HA ALA 11 HA ALA 11 -0.637 1.442 0.420
83 HB1 ALA 11 1HB ALA 11 -2.920 1.494 -0.411
84 HB2 ALA 11 2HB ALA 11 -3.172 -0.194 0.095
85 HB3 ALA 11 3HB ALA 11 -2.015 0.183 -1.205
86 H HIS 12 H HIS 12 -1.044 -0.384 3.126
87 HA HIS 12 HA HIS 12 -2.473 1.743 4.576
88 HB2 HIS 12 1HB HIS 12 -3.534 -0.271 4.939
89 HB3 HIS 12 2HB HIS 12 -2.039 -1.209 4.875
90 HD1 HIS 12 1HD HIS 12 -4.151 0.733 7.360
91 HD2 HIS 12 2HD HIS 12 -0.696 -1.516 7.127
92 HE1 HIS 12 1HE HIS 12 -3.301 0.479 9.755
93 HE2 HIS 12 2HE HIS 12 -1.202 -0.974 9.581
94 H TYR 13 H TYR 13 0.656 0.733 3.762
95 HA TYR 13 HA TYR 13 1.941 1.464 6.302
96 HB2 TYR 13 2HB TYR 13 2.358 -0.386 4.145
97 HB3 TYR 13 1HB TYR 13 3.738 0.733 4.189
98 HD1 TYR 13 1HD TYR 13 5.170 0.894 6.167
99 HD2 TYR 13 2HD TYR 13 1.866 -1.847 6.021
100 HE1 TYR 13 1HE TYR 13 6.220 -0.460 7.953
101 HE2 TYR 13 2HE TYR 13 2.912 -3.218 7.786
102 HH TYR 13 HH TYR 13 4.484 -3.281 9.346
103 H ASN 14 H ASN 14 2.877 1.980 2.879
104 HA ASN 14 HA ASN 14 3.961 4.591 3.383
105 HB2 ASN 14 1HB ASN 14 3.794 2.725 1.117
106 HB3 ASN 14 2HB ASN 14 3.744 4.444 0.675
107 HD21 ASN 14 2HD2 ASN 14 5.660 5.303 0.286
108 HD22 ASN 14 1HD2 ASN 14 7.166 4.743 0.961
109 H ALA 15 H ALA 15 0.704 3.526 2.724
110 HA ALA 15 HA ALA 15 -0.521 5.548 1.415
111 HB1 ALA 15 1HB ALA 15 -1.904 5.179 3.917
112 HB2 ALA 15 2HB ALA 15 -1.215 3.624 3.392
113 HB3 ALA 15 3HB ALA 15 -2.304 4.526 2.310
114 H LEU 16 H LEU 16 1.002 5.807 4.604
115 HA LEU 16 HA LEU 16 0.225 8.640 4.797
116 HB2 LEU 16 2HB LEU 16 0.760 6.495 6.736
117 HB3 LEU 16 1HB LEU 16 1.502 8.052 7.138
118 HG LEU 16 HG LEU 16 -0.663 7.825 8.194
119 HD11 LEU 16 1HD1 LEU 16 0.128 10.058 7.502
120 HD12 LEU 16 2HD1 LEU 16 -0.795 9.897 5.987
121 HD13 LEU 16 3HD1 LEU 16 -1.648 9.939 7.549
122 HD21 LEU 16 3HD2 LEU 16 -1.912 7.672 5.436
123 HD22 LEU 16 1HD2 LEU 16 -1.752 6.313 6.574
124 HD23 LEU 16 2HD2 LEU 16 -2.764 7.714 6.998
125 H ILE 17 H ILE 17 3.065 6.527 4.467
126 HA ILE 17 HA ILE 17 4.961 8.703 4.664
127 HB ILE 17 HB ILE 17 5.466 5.904 3.602
128 HG12 ILE 17 1HG1 ILE 17 5.702 6.712 6.514
129 HG13 ILE 17 2HG1 ILE 17 4.227 5.968 5.881
130 HG21 ILE 17 1HG2 ILE 17 7.277 7.600 3.387
131 HG22 ILE 17 2HG2 ILE 17 7.195 7.896 5.140
132 HG23 ILE 17 3HG2 ILE 17 7.717 6.308 4.529
133 HD11 ILE 17 3HD1 ILE 17 7.005 4.717 5.869
134 HD12 ILE 17 1HD1 ILE 17 5.668 4.294 6.965
135 HD13 ILE 17 2HD1 ILE 17 5.529 3.962 5.223
136 H ARG 18 H ARG 18 2.682 8.210 2.392
137 HA ARG 18 HA ARG 18 4.059 8.351 -0.049
138 HB2 ARG 18 2HB ARG 18 1.921 8.886 -1.013
139 HB3 ARG 18 1HB ARG 18 1.739 7.610 0.197
140 HG2 ARG 18 1HG ARG 18 -0.082 8.859 0.738
141 HG3 ARG 18 2HG ARG 18 1.114 9.679 1.764
142 HD2 ARG 18 2HD ARG 18 1.464 11.350 -0.088
143 HD3 ARG 18 1HD ARG 18 0.138 10.571 -0.980
144 HE ARG 18 HE ARG 18 -0.050 12.313 1.320
145 HH11 ARG 18 2HH2 ARG 18 -1.785 9.777 -0.376
146 HH12 ARG 18 1HH2 ARG 18 -3.340 10.261 0.224
147 HH21 ARG 18 2HH1 ARG 18 -2.102 12.905 2.106
148 HH22 ARG 18 1HH1 ARG 18 -3.501 12.009 1.619
149 H ALA 19 H ALA 19 5.255 9.797 -0.813
150 HA ALA 19 HA ALA 19 4.600 12.635 -0.575
151 HB1 ALA 19 1HB ALA 19 6.010 12.235 1.413
152 HB2 ALA 19 2HB ALA 19 7.287 11.568 0.368
153 HB3 ALA 19 3HB ALA 19 6.826 13.281 0.226
154 H PHE 20 H PHE 20 7.430 10.604 -1.551
155 HA PHE 20 HA PHE 20 8.607 10.479 -3.453
156 HB2 PHE 20 1HB PHE 20 7.020 8.992 -4.199
157 HB3 PHE 20 2HB PHE 20 5.745 10.213 -4.303
158 HD1 PHE 20 1HD PHE 20 8.984 9.213 -5.935
159 HD2 PHE 20 2HD PHE 20 5.301 11.360 -6.326
160 HE1 PHE 20 1HE PHE 20 9.460 9.607 -8.336
161 HE2 PHE 20 2HE PHE 20 5.793 11.806 -8.698
162 HZ PHE 20 HZ PHE 20 7.884 10.940 -9.711