Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
5113 | 1gea RC | 4916 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H HIS 1 HT1 HIS 1 0.501 2.434 -0.323
2 2H HIS 1 HT2 HIS 1 1.731 2.989 0.708
3 3H HIS 1 HT3 HIS 1 1.856 1.460 -0.021
4 HA HIS 1 HA HIS 1 1.869 2.599 -2.227
5 1HB HIS 1 HB2 HIS 1 0.878 4.722 -1.282
6 2HB HIS 1 HB1 HIS 1 2.431 5.028 -0.504
7 HD1 HIS 1 HD1 HIS 1 2.861 7.126 -2.001
8 HD2 HIS 1 HD2 HIS 1 2.454 3.572 -4.142
9 HE1 HIS 1 HE1 HIS 1 3.663 7.611 -4.354
10 H SER 2 HN SER 2 3.973 2.760 -3.153
11 HA SER 2 HA SER 2 6.329 3.145 -1.497
12 1HB SER 2 HB2 SER 2 5.443 0.376 -2.257
13 2HB SER 2 HB1 SER 2 7.159 0.744 -2.123
14 HG SER 2 HG SER 2 6.670 0.233 -0.096
15 H ASP 3 HN ASP 3 8.348 2.830 -2.843
16 HA ASP 3 HA ASP 3 8.090 2.418 -5.708
17 1HB ASP 3 HB2 ASP 3 7.090 4.752 -5.205
18 2HB ASP 3 HB1 ASP 3 8.758 5.242 -4.913
19 H GLY 4 HN GLY 4 9.912 1.010 -4.601
20 1HA GLY 4 HA2 GLY 4 12.243 0.605 -4.591
21 2HA GLY 4 HA1 GLY 4 12.472 2.207 -5.297
22 H ILE 5 HN ILE 5 13.333 3.745 -3.985
23 HA ILE 5 HA ILE 5 14.397 3.368 -1.484
24 HB ILE 5 HB ILE 5 14.871 5.429 -2.506
25 1HG1 ILE 5 HG12 ILE 5 14.339 5.452 0.055
26 2HG1 ILE 5 HG11 ILE 5 14.528 6.990 -0.784
27 1HG2 ILE 5 HG21 ILE 5 13.023 5.647 -3.986
28 2HG2 ILE 5 HG22 ILE 5 12.992 7.083 -2.963
29 3HG2 ILE 5 HG23 ILE 5 11.874 5.754 -2.653
30 1HD1 ILE 5 HD11 ILE 5 12.331 6.220 0.747
31 2HD1 ILE 5 HD12 ILE 5 11.781 6.007 -0.915
32 3HD1 ILE 5 HD13 ILE 5 12.384 7.575 -0.381
33 H PHE 6 HN PHE 6 11.001 3.799 -2.208
34 HA PHE 6 HA PHE 6 10.418 3.741 0.718
35 1HB PHE 6 HB2 PHE 6 9.294 5.216 -1.453
36 2HB PHE 6 HB1 PHE 6 8.054 4.122 -0.835
37 HD1 PHE 6 HD1 PHE 6 8.386 3.878 1.937
38 HD2 PHE 6 HD2 PHE 6 9.165 7.324 -0.503
39 HE1 PHE 6 HE1 PHE 6 8.073 5.348 3.913
40 HE2 PHE 6 HE2 PHE 6 8.853 8.797 1.470
41 HZ PHE 6 HZ PHE 6 8.306 7.807 3.680
42 H THR 7 HN THR 7 10.957 1.353 0.604
43 HA THR 7 HA THR 7 8.585 -0.220 0.474
44 HB THR 7 HB THR 7 8.897 0.086 -1.974
45 HG1 THR 7 HG1 THR 7 8.049 -1.873 -1.081
46 1HG2 THR 7 HG21 THR 7 11.614 -0.299 -1.302
47 2HG2 THR 7 HG22 THR 7 10.934 -0.036 -2.908
48 3HG2 THR 7 HG23 THR 7 11.147 -1.677 -2.298
49 H ASP 8 HN ASP 8 10.213 -2.617 -0.496
50 HA ASP 8 HA ASP 8 11.613 -3.000 2.085
51 1HB ASP 8 HB2 ASP 8 10.011 -4.733 1.496
52 2HB ASP 8 HB1 ASP 8 10.791 -4.966 -0.069
53 H SER 9 HN SER 9 12.231 -3.806 -1.359
54 HA SER 9 HA SER 9 14.862 -4.536 -1.331
55 1HB SER 9 HB2 SER 9 14.991 -2.745 -3.373
56 2HB SER 9 HB1 SER 9 14.279 -4.346 -3.510
57 HG SER 9 HG SER 9 12.942 -2.493 -4.186
58 H TYR 10 HN TYR 10 13.977 -1.059 -1.617
59 HA TYR 10 HA TYR 10 16.499 0.024 -1.206
60 1HB TYR 10 HB2 TYR 10 15.344 1.928 -1.298
61 2HB TYR 10 HB1 TYR 10 13.864 0.986 -1.272
62 HD1 TYR 10 HD1 TYR 10 16.146 3.096 0.674
63 HD2 TYR 10 HD2 TYR 10 12.649 0.607 0.856
64 HE1 TYR 10 HE1 TYR 10 15.580 4.050 2.891
65 HE2 TYR 10 HE2 TYR 10 12.084 1.562 3.072
66 HH TYR 10 HH TYR 10 14.221 3.940 4.646
67 H SER 11 HN SER 11 14.145 -0.801 1.347
68 HA SER 11 HA SER 11 15.664 -0.056 3.568
69 1HB SER 11 HB2 SER 11 13.397 -0.937 3.771
70 2HB SER 11 HB1 SER 11 13.924 -2.517 3.199
71 HG SER 11 HG SER 11 14.820 -1.184 5.549
72 H ARG 12 HN ARG 12 15.927 -2.999 1.603
73 HA ARG 12 HA ARG 12 18.174 -3.993 3.223
74 1HB ARG 12 HB2 ARG 12 18.077 -5.951 1.891
75 2HB ARG 12 HB1 ARG 12 16.398 -5.449 2.050
76 1HG ARG 12 HG2 ARG 12 16.263 -4.731 -0.157
77 2HG ARG 12 HG1 ARG 12 18.000 -4.476 -0.302
78 1HD ARG 12 HD2 ARG 12 16.997 -6.539 -1.487
79 2HD ARG 12 HD1 ARG 12 18.441 -6.786 -0.504
80 HE ARG 12 HE ARG 12 15.687 -7.396 0.499
81 1HH1 ARG 12 HH11 ARG 12 17.888 -9.286 -0.816
82 2HH1 ARG 12 HH12 ARG 12 18.390 -10.134 0.608
83 1HH2 ARG 12 HH21 ARG 12 16.834 -7.933 2.789
84 2HH2 ARG 12 HH22 ARG 12 17.793 -9.368 2.649
85 H TYR 13 HN TYR 13 17.684 -2.208 0.261
86 HA TYR 13 HA TYR 13 20.455 -2.568 -0.625
87 1HB TYR 13 HB2 TYR 13 19.398 -2.159 -2.583
88 2HB TYR 13 HB1 TYR 13 17.958 -1.594 -1.753
89 HD1 TYR 13 HD1 TYR 13 21.453 -0.217 -1.913
90 HD2 TYR 13 HD2 TYR 13 17.286 0.410 -2.741
91 HE1 TYR 13 HE1 TYR 13 21.945 2.095 -2.648
92 HE2 TYR 13 HE2 TYR 13 17.776 2.723 -3.463
93 HH TYR 13 HH TYR 13 19.338 4.332 -3.549
94 H ARG 14 HN ARG 14 18.504 -0.144 1.011
95 HA ARG 14 HA ARG 14 20.220 2.072 1.008
96 1HB ARG 14 HB2 ARG 14 17.938 1.935 2.126
97 2HB ARG 14 HB1 ARG 14 18.727 1.100 3.469
98 1HG ARG 14 HG2 ARG 14 20.364 3.261 3.129
99 2HG ARG 14 HG1 ARG 14 18.793 3.950 2.728
100 1HD ARG 14 HD2 ARG 14 18.215 3.983 4.901
101 2HD ARG 14 HD1 ARG 14 18.528 2.253 5.038
102 HE ARG 14 HE ARG 14 20.396 2.925 6.298
103 1HH1 ARG 14 HH11 ARG 14 19.477 5.848 5.282
104 2HH1 ARG 14 HH12 ARG 14 21.041 6.456 4.853
105 1HH2 ARG 14 HH21 ARG 14 22.589 3.359 5.042
106 2HH2 ARG 14 HH22 ARG 14 22.803 5.047 4.717
107 H LYS 15 HN LYS 15 20.105 -0.249 3.734
108 HA LYS 15 HA LYS 15 22.509 0.451 4.960
109 1HB LYS 15 HB2 LYS 15 21.597 -2.417 4.624
110 2HB LYS 15 HB1 LYS 15 22.537 -1.741 5.952
111 1HG LYS 15 HG2 LYS 15 20.670 -1.097 7.032
112 2HG LYS 15 HG1 LYS 15 20.067 -0.266 5.597
113 1HD LYS 15 HD2 LYS 15 19.305 -2.459 4.691
114 2HD LYS 15 HD1 LYS 15 19.816 -3.226 6.194
115 1HE LYS 15 HE2 LYS 15 18.267 -1.777 7.463
116 2HE LYS 15 HE1 LYS 15 17.743 -1.024 5.956
117 1HZ LYS 15 HZ1 LYS 15 16.244 -2.796 6.685
118 2HZ LYS 15 HZ2 LYS 15 17.516 -3.918 6.585
119 3HZ LYS 15 HZ3 LYS 15 16.948 -3.147 5.182
120 H GLN 16 HN GLN 16 22.093 -2.006 2.387
121 HA GLN 16 HA GLN 16 24.653 -2.937 2.036
122 1HB GLN 16 HB2 GLN 16 22.643 -2.082 -0.058
123 2HB GLN 16 HB1 GLN 16 24.179 -2.828 -0.494
124 1HG GLN 16 HG2 GLN 16 23.642 -4.860 0.570
125 2HG GLN 16 HG1 GLN 16 22.369 -4.119 1.541
126 1HE2 GLN 16 HE21 GLN 16 22.906 -3.753 -1.990
127 2HE2 GLN 16 HE22 GLN 16 21.413 -4.422 -2.442
128 H MET 17 HN MET 17 23.477 0.278 1.169
129 HA MET 17 HA MET 17 25.608 1.247 -0.360
130 1HB MET 17 HB2 MET 17 24.068 2.671 1.830
131 2HB MET 17 HB1 MET 17 25.113 3.481 0.662
132 1HG MET 17 HG2 MET 17 23.000 1.633 -0.374
133 2HG MET 17 HG1 MET 17 22.508 3.224 0.206
134 1HE MET 17 HE1 MET 17 23.724 1.035 -2.155
135 2HE MET 17 HE2 MET 17 25.342 1.632 -2.513
136 3HE MET 17 HE3 MET 17 24.026 1.943 -3.642
137 H ALA 18 HN ALA 18 25.454 2.135 3.083
138 HA ALA 18 HA ALA 18 28.121 2.746 3.466
139 1HB ALA 18 HB1 ALA 18 26.191 2.799 5.174
140 2HB ALA 18 HB2 ALA 18 27.796 2.406 5.791
141 3HB ALA 18 HB3 ALA 18 26.617 1.123 5.517
142 H VAL 19 HN VAL 19 26.733 -0.483 4.080
143 HA VAL 19 HA VAL 19 28.950 -1.981 4.677
144 HB VAL 19 HB VAL 19 26.593 -2.589 2.909
145 1HG1 VAL 19 HG11 VAL 19 29.060 -4.283 3.286
146 2HG1 VAL 19 HG12 VAL 19 28.163 -3.957 1.803
147 3HG1 VAL 19 HG13 VAL 19 27.484 -5.030 3.027
148 1HG2 VAL 19 HG21 VAL 19 26.740 -2.540 5.544
149 2HG2 VAL 19 HG22 VAL 19 27.497 -4.119 5.335
150 3HG2 VAL 19 HG23 VAL 19 25.859 -3.841 4.743
151 H LYS 20 HN LYS 20 28.012 -1.191 1.295
152 HA LYS 20 HA LYS 20 30.479 -2.249 0.206
153 1HB LYS 20 HB2 LYS 20 28.532 -0.287 -1.041
154 2HB LYS 20 HB1 LYS 20 29.727 -1.264 -1.894
155 1HG LYS 20 HG2 LYS 20 28.601 -3.322 -1.100
156 2HG LYS 20 HG1 LYS 20 27.388 -2.332 -0.286
157 1HD LYS 20 HD2 LYS 20 27.933 -1.982 -3.229
158 2HD LYS 20 HD1 LYS 20 26.834 -3.238 -2.659
159 1HE LYS 20 HE2 LYS 20 25.433 -1.597 -1.556
160 2HE LYS 20 HE1 LYS 20 26.586 -0.311 -1.914
161 1HZ LYS 20 HZ1 LYS 20 26.166 -0.547 -4.232
162 2HZ LYS 20 HZ2 LYS 20 24.663 -0.410 -3.452
163 3HZ LYS 20 HZ3 LYS 20 25.210 -1.926 -3.988
164 HN LYN 21 HN LYN 21 31.420 -0.668 2.191
165 HA LYN 21 HA LYN 21 32.745 1.507 0.689
166 HB1 LYN 21 HB1 LYN 21 32.301 3.138 2.516
167 HB2 LYN 21 HB2 LYN 21 31.240 1.958 3.286
168 HG1 LYN 21 HG1 LYN 21 29.621 2.132 1.614
169 HG2 LYN 21 HG2 LYN 21 30.781 2.693 0.410
170 HD1 LYN 21 HD1 LYN 21 30.384 4.428 2.798
171 HD2 LYN 21 HD2 LYN 21 29.054 4.357 1.641
172 HE1 LYN 21 HE1 LYN 21 30.340 5.262 -0.085
173 HE2 LYN 21 HE2 LYN 21 31.861 4.748 0.644
174 HZ1 LYN 21 HZ1 LYN 21 31.453 7.158 0.823
175 HZ2 LYN 21 HZ2 LYN 21 31.624 6.403 2.336
176 HZ3 LYN 21 HZ3 LYN 21 30.083 6.841 1.770
177 H1 LYN 21 H1 LYN 21 33.494 -1.145 2.001
178 H2 LYN 21 H2 LYN 21 34.741 -0.751 3.082
Start of MODEL 2
1 1H HIS 1 HT1 HIS 1 2.295 2.952 1.404
2 2H HIS 1 HT2 HIS 1 1.820 1.859 0.193
3 3H HIS 1 HT3 HIS 1 0.812 3.162 0.609
4 HA HIS 1 HA HIS 1 2.046 3.494 -1.502
5 1HB HIS 1 HB2 HIS 1 1.207 5.392 -0.135
6 2HB HIS 1 HB1 HIS 1 2.725 5.394 0.764
7 HD1 HIS 1 HD1 HIS 1 3.671 7.607 -0.071
8 HD2 HIS 1 HD2 HIS 1 2.568 5.058 -3.179
9 HE1 HIS 1 HE1 HIS 1 4.555 8.652 -2.202
10 H SER 2 HN SER 2 4.083 3.665 -2.513
11 HA SER 2 HA SER 2 6.559 3.748 -1.045
12 1HB SER 2 HB2 SER 2 6.908 1.236 -2.226
13 2HB SER 2 HB1 SER 2 6.753 1.569 -0.503
14 HG SER 2 HG SER 2 5.100 0.231 -0.870
15 H ASP 3 HN ASP 3 8.425 3.697 -2.536
16 HA ASP 3 HA ASP 3 7.909 3.417 -5.414
17 1HB ASP 3 HB2 ASP 3 7.122 5.752 -4.761
18 2HB ASP 3 HB1 ASP 3 8.804 6.110 -4.371
19 H GLY 4 HN GLY 4 9.667 1.789 -4.470
20 1HA GLY 4 HA2 GLY 4 11.946 1.179 -4.653
21 2HA GLY 4 HA1 GLY 4 12.268 2.780 -5.329
22 H ILE 5 HN ILE 5 13.322 4.210 -4.038
23 HA ILE 5 HA ILE 5 14.550 3.672 -1.642
24 HB ILE 5 HB ILE 5 15.062 5.735 -2.666
25 1HG1 ILE 5 HG12 ILE 5 14.800 5.686 -0.062
26 2HG1 ILE 5 HG11 ILE 5 15.013 7.239 -0.865
27 1HG2 ILE 5 HG21 ILE 5 13.418 6.630 -3.911
28 2HG2 ILE 5 HG22 ILE 5 12.863 7.414 -2.432
29 3HG2 ILE 5 HG23 ILE 5 12.162 5.874 -2.931
30 1HD1 ILE 5 HD11 ILE 5 12.939 6.572 0.869
31 2HD1 ILE 5 HD12 ILE 5 12.200 6.453 -0.728
32 3HD1 ILE 5 HD13 ILE 5 12.968 7.956 -0.223
33 H PHE 6 HN PHE 6 11.141 4.349 -2.073
34 HA PHE 6 HA PHE 6 10.800 4.275 0.890
35 1HB PHE 6 HB2 PHE 6 9.606 5.865 -1.146
36 2HB PHE 6 HB1 PHE 6 8.347 4.822 -0.484
37 HD1 PHE 6 HD1 PHE 6 8.451 4.552 2.175
38 HD2 PHE 6 HD2 PHE 6 10.039 7.866 -0.047
39 HE1 PHE 6 HE1 PHE 6 8.342 5.968 4.210
40 HE2 PHE 6 HE2 PHE 6 9.930 9.284 1.987
41 HZ PHE 6 HZ PHE 6 9.083 8.334 4.116
42 H THR 7 HN THR 7 11.181 1.850 0.692
43 HA THR 7 HA THR 7 8.721 0.448 0.819
44 HB THR 7 HB THR 7 8.707 0.787 -1.634
45 HG1 THR 7 HG1 THR 7 7.906 -1.137 -1.811
46 1HG2 THR 7 HG21 THR 7 11.470 0.123 -1.340
47 2HG2 THR 7 HG22 THR 7 10.619 0.641 -2.795
48 3HG2 THR 7 HG23 THR 7 10.720 -1.074 -2.397
49 H ASP 8 HN ASP 8 10.009 -2.041 -0.396
50 HA ASP 8 HA ASP 8 11.671 -2.609 1.985
51 1HB ASP 8 HB2 ASP 8 9.676 -4.065 0.889
52 2HB ASP 8 HB1 ASP 8 11.055 -4.768 0.043
53 H SER 9 HN SER 9 11.833 -3.341 -1.531
54 HA SER 9 HA SER 9 14.383 -4.305 -1.787
55 1HB SER 9 HB2 SER 9 14.459 -2.514 -3.819
56 2HB SER 9 HB1 SER 9 13.573 -4.030 -3.886
57 HG SER 9 HG SER 9 11.973 -2.678 -4.269
58 H TYR 10 HN TYR 10 13.823 -0.777 -2.084
59 HA TYR 10 HA TYR 10 16.418 0.118 -1.896
60 1HB TYR 10 HB2 TYR 10 15.374 2.102 -1.834
61 2HB TYR 10 HB1 TYR 10 13.857 1.247 -1.638
62 HD1 TYR 10 HD1 TYR 10 16.525 3.113 0.085
63 HD2 TYR 10 HD2 TYR 10 12.831 0.975 0.573
64 HE1 TYR 10 HE1 TYR 10 16.280 4.050 2.366
65 HE2 TYR 10 HE2 TYR 10 12.586 1.912 2.852
66 HH TYR 10 HH TYR 10 13.450 3.252 4.389
67 H SER 11 HN SER 11 14.293 -0.555 0.892
68 HA SER 11 HA SER 11 16.055 0.018 2.975
69 1HB SER 11 HB2 SER 11 13.737 -0.702 3.341
70 2HB SER 11 HB1 SER 11 14.126 -2.316 2.754
71 HG SER 11 HG SER 11 14.205 -2.233 5.025
72 H ARG 12 HN ARG 12 15.763 -3.054 1.185
73 HA ARG 12 HA ARG 12 18.107 -4.202 2.471
74 1HB ARG 12 HB2 ARG 12 17.761 -6.081 1.050
75 2HB ARG 12 HB1 ARG 12 16.144 -5.484 1.407
76 1HG ARG 12 HG2 ARG 12 15.835 -4.644 -0.733
77 2HG ARG 12 HG1 ARG 12 17.559 -4.462 -1.038
78 1HD ARG 12 HD2 ARG 12 16.118 -7.115 -0.789
79 2HD ARG 12 HD1 ARG 12 16.579 -6.356 -2.313
80 HE ARG 12 HE ARG 12 18.786 -6.767 -0.413
81 1HH1 ARG 12 HH21 ARG 12 16.837 -8.844 -2.160
82 2HH1 ARG 12 HH22 ARG 12 18.104 -9.505 -3.140
83 1HH2 ARG 12 HH11 ARG 12 20.482 -7.218 -2.072
84 2HH2 ARG 12 HH12 ARG 12 20.168 -8.583 -3.090
85 H TYR 13 HN TYR 13 17.481 -2.173 -0.257
86 HA TYR 13 HA TYR 13 20.149 -2.640 -1.429
87 1HB TYR 13 HB2 TYR 13 18.925 -2.193 -3.280
88 2HB TYR 13 HB1 TYR 13 17.586 -1.577 -2.322
89 HD1 TYR 13 HD1 TYR 13 20.051 -0.736 -4.693
90 HD2 TYR 13 HD2 TYR 13 17.995 0.842 -1.268
91 HE1 TYR 13 HE1 TYR 13 20.604 1.568 -5.423
92 HE2 TYR 13 HE2 TYR 13 18.547 3.145 -1.997
93 HH TYR 13 HH TYR 13 20.793 4.003 -3.837
94 H ARG 14 HN ARG 14 19.081 -0.979 1.170
95 HA ARG 14 HA ARG 14 20.773 1.422 0.673
96 1HB ARG 14 HB2 ARG 14 18.327 1.396 1.715
97 2HB ARG 14 HB1 ARG 14 19.211 1.044 3.199
98 1HG ARG 14 HG2 ARG 14 20.737 3.054 2.349
99 2HG ARG 14 HG1 ARG 14 19.255 3.508 1.507
100 1HD ARG 14 HD2 ARG 14 18.538 4.427 3.435
101 2HD ARG 14 HD1 ARG 14 18.429 2.795 4.094
102 HE ARG 14 HE ARG 14 20.890 3.152 4.768
103 1HH1 ARG 14 HH11 ARG 14 18.289 5.126 5.454
104 2HH1 ARG 14 HH12 ARG 14 19.221 6.467 6.031
105 1HH2 ARG 14 HH21 ARG 14 22.258 5.134 5.020
106 2HH2 ARG 14 HH22 ARG 14 21.467 6.472 5.785
107 H LYS 15 HN LYS 15 20.138 -0.527 3.609
108 HA LYS 15 HA LYS 15 22.473 -0.062 4.988
109 1HB LYS 15 HB2 LYS 15 20.901 -2.626 4.689
110 2HB LYS 15 HB1 LYS 15 22.269 -2.493 5.794
111 1HG LYS 15 HG2 LYS 15 20.644 -1.812 7.257
112 2HG LYS 15 HG1 LYS 15 20.917 -0.253 6.478
113 1HD LYS 15 HD2 LYS 15 19.013 -0.466 5.106
114 2HD LYS 15 HD1 LYS 15 18.923 -2.210 5.350
115 1HE LYS 15 HE2 LYS 15 18.744 -0.662 7.843
116 2HE LYS 15 HE1 LYS 15 17.420 -0.352 6.719
117 1HZ LYS 15 HZ1 LYS 15 17.827 -3.077 6.677
118 2HZ LYS 15 HZ2 LYS 15 16.533 -2.247 7.400
119 3HZ LYS 15 HZ3 LYS 15 17.909 -2.643 8.315
120 H GLN 16 HN GLN 16 22.070 -2.564 2.463
121 HA GLN 16 HA GLN 16 24.578 -3.737 2.462
122 1HB GLN 16 HB2 GLN 16 22.864 -2.890 0.114
123 2HB GLN 16 HB1 GLN 16 24.354 -3.810 -0.091
124 1HG GLN 16 HG2 GLN 16 21.924 -4.647 1.517
125 2HG GLN 16 HG1 GLN 16 22.492 -5.369 0.011
126 1HE2 GLN 16 HE21 GLN 16 24.754 -6.368 0.114
127 2HE2 GLN 16 HE22 GLN 16 25.249 -7.068 1.579
128 H MET 17 HN MET 17 23.740 -0.644 0.881
129 HA MET 17 HA MET 17 26.146 0.031 -0.302
130 1HB MET 17 HB2 MET 17 24.271 1.787 1.299
131 2HB MET 17 HB1 MET 17 25.614 2.425 0.349
132 1HG MET 17 HG2 MET 17 24.456 0.793 -1.490
133 2HG MET 17 HG1 MET 17 23.038 1.278 -0.560
134 1HE MET 17 HE1 MET 17 22.470 2.144 -3.138
135 2HE MET 17 HE2 MET 17 24.126 1.844 -3.660
136 3HE MET 17 HE3 MET 17 23.394 3.422 -3.939
137 H ALA 18 HN ALA 18 25.439 1.383 2.918
138 HA ALA 18 HA ALA 18 27.989 2.085 3.673
139 1HB ALA 18 HB1 ALA 18 27.254 1.381 6.059
140 2HB ALA 18 HB2 ALA 18 25.730 0.931 5.294
141 3HB ALA 18 HB3 ALA 18 26.293 2.601 5.224
142 H VAL 19 HN VAL 19 26.574 -1.104 4.408
143 HA VAL 19 HA VAL 19 28.727 -2.415 5.517
144 HB VAL 19 HB VAL 19 26.650 -3.343 3.550
145 1HG1 VAL 19 HG11 VAL 19 29.138 -4.796 4.371
146 2HG1 VAL 19 HG12 VAL 19 28.263 -4.852 2.841
147 3HG1 VAL 19 HG13 VAL 19 27.635 -5.711 4.247
148 1HG2 VAL 19 HG21 VAL 19 25.800 -3.189 5.741
149 2HG2 VAL 19 HG22 VAL 19 27.310 -3.741 6.466
150 3HG2 VAL 19 HG23 VAL 19 26.265 -4.886 5.625
151 H LYS 20 HN LYS 20 28.259 -2.067 1.963
152 HA LYS 20 HA LYS 20 30.954 -3.105 1.465
153 1HB LYS 20 HB2 LYS 20 29.144 -1.766 -0.549
154 2HB LYS 20 HB1 LYS 20 30.397 -2.973 -0.841
155 1HG LYS 20 HG2 LYS 20 29.103 -4.709 0.155
156 2HG LYS 20 HG1 LYS 20 27.975 -3.557 0.871
157 1HD LYS 20 HD2 LYS 20 28.343 -3.845 -2.118
158 2HD LYS 20 HD1 LYS 20 27.131 -4.751 -1.212
159 1HE LYS 20 HE2 LYS 20 25.890 -2.849 -0.703
160 2HE LYS 20 HE1 LYS 20 27.281 -1.776 -0.863
161 1HZ LYS 20 HZ1 LYS 20 25.401 -2.057 -2.732
162 2HZ LYS 20 HZ2 LYS 20 26.529 -3.211 -3.265
163 3HZ LYS 20 HZ3 LYS 20 26.997 -1.591 -3.066
164 HN LYN 21 HN LYN 21 30.320 -0.390 2.881
165 HA LYN 21 HA LYN 21 32.639 0.997 1.971
166 HB1 LYN 21 HB1 LYN 21 31.289 1.449 -0.035
167 HB2 LYN 21 HB2 LYN 21 31.559 2.939 0.871
168 HG1 LYN 21 HG1 LYN 21 29.206 1.707 1.912
169 HG2 LYN 21 HG2 LYN 21 29.066 1.723 0.154
170 HD1 LYN 21 HD1 LYN 21 30.024 4.185 1.583
171 HD2 LYN 21 HD2 LYN 21 28.298 3.823 1.547
172 HE1 LYN 21 HE1 LYN 21 30.041 3.913 -0.931
173 HE2 LYN 21 HE2 LYN 21 29.105 5.290 -0.352
174 HZ1 LYN 21 HZ1 LYN 21 28.105 2.673 -1.305
175 HZ2 LYN 21 HZ2 LYN 21 27.751 4.219 -1.913
176 HZ3 LYN 21 HZ3 LYN 21 27.134 3.734 -0.405
177 H1 LYN 21 H1 LYN 21 31.666 0.358 4.532
178 H2 LYN 21 H2 LYN 21 31.237 1.782 5.349
Start of MODEL 3
1 1H HIS 1 HT1 HIS 1 0.621 4.374 -0.676
2 2H HIS 1 HT2 HIS 1 2.130 5.114 -0.433
3 3H HIS 1 HT3 HIS 1 1.823 3.573 0.213
4 HA HIS 1 HA HIS 1 1.612 2.667 -2.034
5 1HB HIS 1 HB2 HIS 1 0.931 4.897 -3.021
6 2HB HIS 1 HB1 HIS 1 2.620 5.389 -2.904
7 HD1 HIS 1 HD1 HIS 1 2.985 5.451 -5.465
8 HD2 HIS 1 HD2 HIS 1 1.730 1.734 -4.056
9 HE1 HIS 1 HE1 HIS 1 3.304 3.817 -7.373
10 H SER 2 HN SER 2 3.499 1.643 -2.815
11 HA SER 2 HA SER 2 6.144 2.742 -2.327
12 1HB SER 2 HB2 SER 2 4.999 0.660 -0.484
13 2HB SER 2 HB1 SER 2 6.726 0.685 -0.823
14 HG SER 2 HG SER 2 6.378 1.991 0.935
15 H ASP 3 HN ASP 3 7.848 1.159 -3.055
16 HA ASP 3 HA ASP 3 7.012 -1.293 -4.388
17 1HB ASP 3 HB2 ASP 3 6.244 0.627 -5.906
18 2HB ASP 3 HB1 ASP 3 7.956 0.923 -6.202
19 H GLY 4 HN GLY 4 8.925 -1.600 -2.718
20 1HA GLY 4 HA2 GLY 4 11.183 -2.287 -2.547
21 2HA GLY 4 HA1 GLY 4 11.370 -1.929 -4.266
22 H ILE 5 HN ILE 5 12.525 -0.134 -4.791
23 HA ILE 5 HA ILE 5 14.071 1.378 -3.108
24 HB ILE 5 HB ILE 5 14.365 1.744 -5.417
25 1HG1 ILE 5 HG12 ILE 5 14.417 3.832 -3.841
26 2HG1 ILE 5 HG11 ILE 5 14.460 4.085 -5.584
27 1HG2 ILE 5 HG21 ILE 5 12.425 2.841 -6.735
28 2HG2 ILE 5 HG22 ILE 5 11.409 2.307 -5.396
29 3HG2 ILE 5 HG23 ILE 5 12.302 1.124 -6.351
30 1HD1 ILE 5 HD11 ILE 5 12.633 5.218 -3.806
31 2HD1 ILE 5 HD12 ILE 5 11.723 3.923 -4.582
32 3HD1 ILE 5 HD13 ILE 5 12.483 5.176 -5.562
33 H PHE 6 HN PHE 6 10.610 1.717 -3.531
34 HA PHE 6 HA PHE 6 10.667 4.057 -1.679
35 1HB PHE 6 HB2 PHE 6 9.163 3.497 -4.034
36 2HB PHE 6 HB1 PHE 6 8.040 3.529 -2.673
37 HD1 PHE 6 HD1 PHE 6 8.755 5.462 -0.857
38 HD2 PHE 6 HD2 PHE 6 9.474 5.533 -5.089
39 HE1 PHE 6 HE1 PHE 6 8.904 7.938 -0.789
40 HE2 PHE 6 HE2 PHE 6 9.622 8.009 -5.025
41 HZ PHE 6 HZ PHE 6 9.337 9.212 -2.874
42 H THR 7 HN THR 7 11.089 2.413 0.097
43 HA THR 7 HA THR 7 8.707 1.857 1.536
44 HB THR 7 HB THR 7 8.389 0.111 -0.189
45 HG1 THR 7 HG1 THR 7 7.866 -0.179 2.110
46 1HG2 THR 7 HG21 THR 7 10.138 -1.058 -0.961
47 2HG2 THR 7 HG22 THR 7 10.405 -1.734 0.646
48 3HG2 THR 7 HG23 THR 7 11.189 -0.224 0.183
49 H ASP 8 HN ASP 8 9.963 -0.715 2.645
50 HA ASP 8 HA ASP 8 11.913 0.723 4.348
51 1HB ASP 8 HB2 ASP 8 10.111 -0.445 5.516
52 2HB ASP 8 HB1 ASP 8 10.544 -1.954 4.713
53 H SER 9 HN SER 9 11.662 -2.548 2.883
54 HA SER 9 HA SER 9 14.195 -3.512 3.214
55 1HB SER 9 HB2 SER 9 13.965 -4.178 0.636
56 2HB SER 9 HB1 SER 9 13.018 -4.953 1.899
57 HG SER 9 HG SER 9 11.280 -4.000 1.169
58 H TYR 10 HN TYR 10 13.427 -1.532 0.308
59 HA TYR 10 HA TYR 10 16.005 -1.109 -0.604
60 1HB TYR 10 HB2 TYR 10 14.916 0.239 -2.031
61 2HB TYR 10 HB1 TYR 10 13.470 0.030 -1.062
62 HD1 TYR 10 HD1 TYR 10 12.766 1.729 0.548
63 HD2 TYR 10 HD2 TYR 10 16.338 2.235 -1.784
64 HE1 TYR 10 HE1 TYR 10 12.841 4.123 1.185
65 HE2 TYR 10 HE2 TYR 10 16.412 4.630 -1.146
66 HH TYR 10 HH TYR 10 14.608 6.387 -0.387
67 H SER 11 HN SER 11 14.316 0.901 1.812
68 HA SER 11 HA SER 11 16.342 2.716 2.417
69 1HB SER 11 HB2 SER 11 14.123 2.819 3.442
70 2HB SER 11 HB1 SER 11 14.435 1.326 4.325
71 HG SER 11 HG SER 11 14.818 3.269 5.553
72 H ARG 12 HN ARG 12 15.865 -0.509 3.882
73 HA ARG 12 HA ARG 12 18.410 -0.404 5.293
74 1HB ARG 12 HB2 ARG 12 17.899 -2.617 6.025
75 2HB ARG 12 HB1 ARG 12 16.341 -1.801 5.934
76 1HG ARG 12 HG2 ARG 12 15.750 -2.904 3.941
77 2HG ARG 12 HG1 ARG 12 17.408 -3.391 3.599
78 1HD ARG 12 HD2 ARG 12 15.659 -4.415 5.852
79 2HD ARG 12 HD1 ARG 12 16.160 -5.317 4.422
80 HE ARG 12 HE ARG 12 17.743 -4.944 6.799
81 1HH1 ARG 12 HH11 ARG 12 17.761 -6.732 4.107
82 2HH1 ARG 12 HH12 ARG 12 19.439 -6.553 3.714
83 1HH2 ARG 12 HH21 ARG 12 19.969 -3.982 5.979
84 2HH2 ARG 12 HH22 ARG 12 20.689 -4.996 4.773
85 H TYR 13 HN TYR 13 17.327 -1.282 2.144
86 HA TYR 13 HA TYR 13 19.758 -2.835 1.529
87 1HB TYR 13 HB2 TYR 13 18.207 -3.855 0.229
88 2HB TYR 13 HB1 TYR 13 17.073 -2.524 0.415
89 HD1 TYR 13 HD1 TYR 13 19.128 -4.275 -1.865
90 HD2 TYR 13 HD2 TYR 13 17.660 -0.338 -0.973
91 HE1 TYR 13 HE1 TYR 13 19.580 -3.578 -4.200
92 HE2 TYR 13 HE2 TYR 13 18.114 0.360 -3.307
93 HH TYR 13 HH TYR 13 18.949 -0.234 -5.274
94 H ARG 14 HN ARG 14 19.106 0.366 1.831
95 HA ARG 14 HA ARG 14 20.716 1.169 -0.543
96 1HB ARG 14 HB2 ARG 14 18.437 2.280 0.372
97 2HB ARG 14 HB1 ARG 14 19.602 3.214 1.311
98 1HG ARG 14 HG2 ARG 14 20.847 3.537 -0.937
99 2HG ARG 14 HG1 ARG 14 19.338 3.014 -1.685
100 1HD ARG 14 HD2 ARG 14 18.414 5.038 -1.352
101 2HD ARG 14 HD1 ARG 14 18.786 4.965 0.370
102 HE ARG 14 HE ARG 14 20.799 6.190 -0.047
103 1HH1 ARG 14 HH21 ARG 14 20.294 4.606 -2.929
104 2HH1 ARG 14 HH22 ARG 14 20.678 5.948 -3.954
105 1HH2 ARG 14 HH11 ARG 14 20.787 8.242 -1.356
106 2HH2 ARG 14 HH12 ARG 14 20.957 8.007 -3.063
107 H LYS 15 HN LYS 15 20.506 2.494 2.774
108 HA LYS 15 HA LYS 15 23.071 3.523 2.966
109 1HB LYS 15 HB2 LYS 15 21.363 2.167 5.061
110 2HB LYS 15 HB1 LYS 15 22.905 2.926 5.457
111 1HG LYS 15 HG2 LYS 15 21.568 4.764 5.766
112 2HG LYS 15 HG1 LYS 15 21.794 4.923 4.024
113 1HD LYS 15 HD2 LYS 15 19.642 4.338 3.562
114 2HD LYS 15 HD1 LYS 15 19.601 3.113 4.831
115 1HE LYS 15 HE2 LYS 15 19.265 4.800 6.535
116 2HE LYS 15 HE1 LYS 15 19.503 6.095 5.361
117 1HZ LYS 15 HZ1 LYS 15 17.315 4.088 5.289
118 2HZ LYS 15 HZ2 LYS 15 17.540 5.358 4.182
119 3HZ LYS 15 HZ3 LYS 15 17.156 5.696 5.802
120 H GLN 16 HN GLN 16 22.125 0.184 3.850
121 HA GLN 16 HA GLN 16 24.561 -0.862 4.639
122 1HB GLN 16 HB2 GLN 16 22.458 -2.115 2.854
123 2HB GLN 16 HB1 GLN 16 23.832 -3.016 3.492
124 1HG GLN 16 HG2 GLN 16 21.631 -1.657 5.066
125 2HG GLN 16 HG1 GLN 16 22.013 -3.379 5.016
126 1HE2 GLN 16 HE21 GLN 16 22.034 -1.406 7.354
127 2HE2 GLN 16 HE22 GLN 16 23.586 -1.561 8.023
128 H MET 17 HN MET 17 23.567 -0.059 1.344
129 HA MET 17 HA MET 17 25.515 -1.294 -0.196
130 1HB MET 17 HB2 MET 17 24.489 1.550 -0.410
131 2HB MET 17 HB1 MET 17 25.437 0.749 -1.664
132 1HG MET 17 HG2 MET 17 23.110 -0.787 -0.669
133 2HG MET 17 HG1 MET 17 22.716 0.682 -1.561
134 1HE MET 17 HE1 MET 17 21.700 -0.143 -3.678
135 2HE MET 17 HE2 MET 17 21.572 -1.641 -2.761
136 3HE MET 17 HE3 MET 17 22.132 -1.684 -4.431
137 H ALA 18 HN ALA 18 26.025 2.117 0.681
138 HA ALA 18 HA ALA 18 28.759 2.235 0.323
139 1HB ALA 18 HB1 ALA 18 28.762 3.923 2.246
140 2HB ALA 18 HB2 ALA 18 27.052 3.541 2.445
141 3HB ALA 18 HB3 ALA 18 27.628 4.245 0.934
142 H VAL 19 HN VAL 19 27.247 1.513 3.468
143 HA VAL 19 HA VAL 19 29.426 0.872 5.011
144 HB VAL 19 HB VAL 19 26.715 -0.413 4.800
145 1HG1 VAL 19 HG11 VAL 19 27.451 -1.616 7.004
146 2HG1 VAL 19 HG12 VAL 19 29.082 -1.432 6.358
147 3HG1 VAL 19 HG13 VAL 19 27.874 -2.346 5.455
148 1HG2 VAL 19 HG21 VAL 19 27.968 0.744 7.270
149 2HG2 VAL 19 HG22 VAL 19 26.280 0.769 6.759
150 3HG2 VAL 19 HG23 VAL 19 27.450 1.841 5.989
151 H LYS 20 HN LYS 20 27.859 -1.511 2.812
152 HA LYS 20 HA LYS 20 30.063 -3.387 3.136
153 1HB LYS 20 HB2 LYS 20 27.906 -3.376 1.006
154 2HB LYS 20 HB1 LYS 20 28.879 -4.752 1.528
155 1HG LYS 20 HG2 LYS 20 27.860 -4.726 3.721
156 2HG LYS 20 HG1 LYS 20 27.014 -3.221 3.360
157 1HD LYS 20 HD2 LYS 20 26.597 -5.846 1.899
158 2HD LYS 20 HD1 LYS 20 25.519 -5.187 3.131
159 1HE LYS 20 HE2 LYS 20 25.292 -3.119 1.691
160 2HE LYS 20 HE1 LYS 20 26.163 -3.986 0.426
161 1HZ LYS 20 HZ1 LYS 20 24.418 -5.787 0.774
162 2HZ LYS 20 HZ2 LYS 20 23.931 -4.374 -0.034
163 3HZ LYS 20 HZ3 LYS 20 23.523 -4.606 1.599
164 HN LYN 21 HN LYN 21 30.270 -4.169 0.342
165 HA LYN 21 HA LYN 21 31.347 -1.822 -1.069
166 HB1 LYN 21 HB1 LYN 21 33.592 -3.067 -1.339
167 HB2 LYN 21 HB2 LYN 21 33.090 -4.014 0.062
168 HG1 LYN 21 HG1 LYN 21 34.465 -2.081 0.750
169 HG2 LYN 21 HG2 LYN 21 32.819 -1.932 1.366
170 HD1 LYN 21 HD1 LYN 21 32.275 -0.230 -0.130
171 HD2 LYN 21 HD2 LYN 21 33.497 -0.730 -1.300
172 HE1 LYN 21 HE1 LYN 21 34.342 0.259 1.411
173 HE2 LYN 21 HE2 LYN 21 33.906 1.419 0.156
174 HZ1 LYN 21 HZ1 LYN 21 35.654 0.805 -1.155
175 HZ2 LYN 21 HZ2 LYN 21 35.750 -0.764 -0.510
176 HZ3 LYN 21 HZ3 LYN 21 36.341 0.559 0.377
177 H1 LYN 21 H1 LYN 21 29.315 -4.061 -1.486
178 H2 LYN 21 H2 LYN 21 29.767 -4.782 -2.954
Start of MODEL 4
1 1H HIS 1 HT1 HIS 1 0.419 0.844 1.842
2 2H HIS 1 HT2 HIS 1 2.070 0.583 2.147
3 3H HIS 1 HT3 HIS 1 1.170 -0.568 1.279
4 HA HIS 1 HA HIS 1 0.885 0.933 -0.554
5 1HB HIS 1 HB2 HIS 1 0.838 2.976 0.949
6 2HB HIS 1 HB1 HIS 1 2.597 2.871 1.027
7 HD1 HIS 1 HD1 HIS 1 2.295 5.319 -0.224
8 HD2 HIS 1 HD2 HIS 1 1.434 1.919 -2.476
9 HE1 HIS 1 HE1 HIS 1 2.349 6.036 -2.653
10 H SER 2 HN SER 2 3.980 1.624 1.089
11 HA SER 2 HA SER 2 6.162 1.015 0.514
12 1HB SER 2 HB2 SER 2 5.016 -1.402 -0.872
13 2HB SER 2 HB1 SER 2 6.533 -1.255 0.010
14 HG SER 2 HG SER 2 5.444 -1.285 1.899
15 H ASP 3 HN ASP 3 7.624 1.014 -1.360
16 HA ASP 3 HA ASP 3 6.757 0.830 -4.071
17 1HB ASP 3 HB2 ASP 3 5.500 2.921 -3.179
18 2HB ASP 3 HB1 ASP 3 7.075 3.710 -3.253
19 H GLY 4 HN GLY 4 9.000 -0.241 -3.673
20 1HA GLY 4 HA2 GLY 4 11.311 -0.166 -4.156
21 2HA GLY 4 HA1 GLY 4 11.080 1.496 -4.707
22 H ILE 5 HN ILE 5 11.915 3.077 -3.436
23 HA ILE 5 HA ILE 5 13.571 2.778 -1.272
24 HB ILE 5 HB ILE 5 13.368 4.968 -2.113
25 1HG1 ILE 5 HG12 ILE 5 11.941 4.885 0.567
26 2HG1 ILE 5 HG11 ILE 5 13.677 5.047 0.304
27 1HG2 ILE 5 HG21 ILE 5 11.145 6.176 -2.025
28 2HG2 ILE 5 HG22 ILE 5 10.409 4.635 -1.586
29 3HG2 ILE 5 HG23 ILE 5 11.209 4.817 -3.147
30 1HD1 ILE 5 HD11 ILE 5 11.495 7.053 -0.190
31 2HD1 ILE 5 HD12 ILE 5 12.991 7.142 -1.119
32 3HD1 ILE 5 HD13 ILE 5 13.036 7.269 0.640
33 H PHE 6 HN PHE 6 10.078 2.488 -1.204
34 HA PHE 6 HA PHE 6 10.226 2.110 1.754
35 1HB PHE 6 HB2 PHE 6 8.211 3.232 -0.067
36 2HB PHE 6 HB1 PHE 6 7.552 2.102 1.118
37 HD1 PHE 6 HD1 PHE 6 7.122 2.824 3.292
38 HD2 PHE 6 HD2 PHE 6 9.898 5.006 0.850
39 HE1 PHE 6 HE1 PHE 6 7.307 4.560 5.058
40 HE2 PHE 6 HE2 PHE 6 10.085 6.744 2.613
41 HZ PHE 6 HZ PHE 6 8.790 6.520 4.718
42 H THR 7 HN THR 7 11.171 -0.098 1.234
43 HA THR 7 HA THR 7 9.187 -2.115 1.485
44 HB THR 7 HB THR 7 8.771 -1.598 -0.906
45 HG1 THR 7 HG1 THR 7 8.560 -3.739 -0.084
46 1HG2 THR 7 HG21 THR 7 10.474 -1.200 -2.308
47 2HG2 THR 7 HG22 THR 7 11.112 -2.818 -2.019
48 3HG2 THR 7 HG23 THR 7 11.605 -1.478 -0.983
49 H ASP 8 HN ASP 8 10.984 -4.007 -0.186
50 HA ASP 8 HA ASP 8 12.999 -4.288 1.971
51 1HB ASP 8 HB2 ASP 8 11.714 -6.285 1.608
52 2HB ASP 8 HB1 ASP 8 11.983 -6.208 -0.133
53 H SER 9 HN SER 9 12.946 -4.784 -1.587
54 HA SER 9 HA SER 9 15.606 -4.920 -2.177
55 1HB SER 9 HB2 SER 9 14.973 -3.177 -4.103
56 2HB SER 9 HB1 SER 9 14.421 -4.846 -4.123
57 HG SER 9 HG SER 9 12.892 -2.823 -4.245
58 H TYR 10 HN TYR 10 13.998 -1.706 -2.041
59 HA TYR 10 HA TYR 10 16.249 -0.102 -2.112
60 1HB TYR 10 HB2 TYR 10 14.707 1.487 -1.739
61 2HB TYR 10 HB1 TYR 10 13.536 0.222 -1.419
62 HD1 TYR 10 HD1 TYR 10 15.819 2.686 0.090
63 HD2 TYR 10 HD2 TYR 10 12.984 -0.445 0.879
64 HE1 TYR 10 HE1 TYR 10 15.689 3.396 2.462
65 HE2 TYR 10 HE2 TYR 10 12.855 0.266 3.249
66 HH TYR 10 HH TYR 10 13.916 3.193 4.348
67 H SER 11 HN SER 11 14.821 -1.521 0.836
68 HA SER 11 HA SER 11 16.660 -0.581 2.716
69 1HB SER 11 HB2 SER 11 14.701 -1.893 3.344
70 2HB SER 11 HB1 SER 11 15.361 -3.317 2.542
71 HG SER 11 HG SER 11 15.777 -3.338 4.791
72 H ARG 12 HN ARG 12 16.920 -3.585 0.787
73 HA ARG 12 HA ARG 12 19.652 -4.078 1.643
74 1HB ARG 12 HB2 ARG 12 19.617 -5.918 0.126
75 2HB ARG 12 HB1 ARG 12 17.968 -5.807 0.735
76 1HG ARG 12 HG2 ARG 12 17.175 -4.834 -1.259
77 2HG ARG 12 HG1 ARG 12 18.793 -4.415 -1.814
78 1HD ARG 12 HD2 ARG 12 17.909 -6.383 -3.023
79 2HD ARG 12 HD1 ARG 12 19.334 -6.800 -2.071
80 HE ARG 12 HE ARG 12 16.919 -7.246 -0.552
81 1HH1 ARG 12 HH11 ARG 12 17.320 -8.433 -3.574
82 2HH1 ARG 12 HH12 ARG 12 17.550 -10.091 -3.129
83 1HH2 ARG 12 HH21 ARG 12 17.900 -9.410 0.253
84 2HH2 ARG 12 HH22 ARG 12 17.878 -10.644 -0.962
85 H TYR 13 HN TYR 13 18.113 -2.162 -0.773
86 HA TYR 13 HA TYR 13 20.583 -1.829 -2.355
87 1HB TYR 13 HB2 TYR 13 18.977 -1.640 -3.944
88 2HB TYR 13 HB1 TYR 13 17.715 -1.407 -2.742
89 HD1 TYR 13 HD1 TYR 13 19.534 0.117 -5.363
90 HD2 TYR 13 HD2 TYR 13 17.675 0.980 -1.589
91 HE1 TYR 13 HE1 TYR 13 19.415 2.516 -5.971
92 HE2 TYR 13 HE2 TYR 13 17.557 3.380 -2.196
93 HH TYR 13 HH TYR 13 17.650 4.563 -5.033
94 H ARG 14 HN ARG 14 19.484 -0.639 0.504
95 HA ARG 14 HA ARG 14 20.590 2.093 0.023
96 1HB ARG 14 HB2 ARG 14 18.215 1.476 1.152
97 2HB ARG 14 HB1 ARG 14 19.236 1.452 2.591
98 1HG ARG 14 HG2 ARG 14 20.160 3.717 1.647
99 2HG ARG 14 HG1 ARG 14 18.657 3.736 0.725
100 1HD ARG 14 HD2 ARG 14 17.766 4.690 2.583
101 2HD ARG 14 HD1 ARG 14 17.762 3.049 3.228
102 HE ARG 14 HE ARG 14 20.271 3.895 3.888
103 1HH1 ARG 14 HH21 ARG 14 17.268 4.166 5.212
104 2HH1 ARG 14 HH22 ARG 14 17.589 5.575 6.167
105 1HH2 ARG 14 HH11 ARG 14 20.649 6.219 4.669
106 2HH2 ARG 14 HH12 ARG 14 19.503 6.737 5.859
107 H LYS 15 HN LYS 15 20.388 0.012 2.927
108 HA LYS 15 HA LYS 15 22.584 0.860 4.322
109 1HB LYS 15 HB2 LYS 15 22.225 -2.108 3.945
110 2HB LYS 15 HB1 LYS 15 22.656 -1.226 5.409
111 1HG LYS 15 HG2 LYS 15 19.954 -1.409 4.068
112 2HG LYS 15 HG1 LYS 15 20.384 -1.854 5.719
113 1HD LYS 15 HD2 LYS 15 21.067 0.694 5.895
114 2HD LYS 15 HD1 LYS 15 19.946 0.868 4.545
115 1HE LYS 15 HE2 LYS 15 18.109 0.197 5.804
116 2HE LYS 15 HE1 LYS 15 19.096 -0.718 6.944
117 1HZ LYS 15 HZ1 LYS 15 19.286 2.225 6.729
118 2HZ LYS 15 HZ2 LYS 15 19.803 1.222 7.999
119 3HZ LYS 15 HZ3 LYS 15 18.144 1.478 7.737
120 H GLN 16 HN GLN 16 22.704 -1.438 1.594
121 HA GLN 16 HA GLN 16 25.382 -2.129 1.550
122 1HB GLN 16 HB2 GLN 16 23.580 -1.346 -0.754
123 2HB GLN 16 HB1 GLN 16 25.209 -1.973 -0.998
124 1HG GLN 16 HG2 GLN 16 22.918 -3.374 0.404
125 2HG GLN 16 HG1 GLN 16 23.671 -3.838 -1.122
126 1HE2 GLN 16 HE21 GLN 16 23.524 -5.344 1.522
127 2HE2 GLN 16 HE22 GLN 16 25.139 -5.702 1.902
128 H MET 17 HN MET 17 24.020 0.893 0.207
129 HA MET 17 HA MET 17 26.288 2.125 -0.774
130 1HB MET 17 HB2 MET 17 24.201 3.451 0.981
131 2HB MET 17 HB1 MET 17 25.284 4.280 -0.138
132 1HG MET 17 HG2 MET 17 23.187 2.219 -0.882
133 2HG MET 17 HG1 MET 17 23.095 3.953 -1.190
134 1HE MET 17 HE1 MET 17 23.339 3.487 -4.530
135 2HE MET 17 HE2 MET 17 22.345 2.953 -3.177
136 3HE MET 17 HE3 MET 17 23.201 1.763 -4.155
137 H ALA 18 HN ALA 18 25.226 2.942 2.533
138 HA ALA 18 HA ALA 18 27.577 4.030 3.482
139 1HB ALA 18 HB1 ALA 18 26.924 3.120 5.745
140 2HB ALA 18 HB2 ALA 18 25.654 2.201 4.937
141 3HB ALA 18 HB3 ALA 18 25.626 3.965 4.902
142 H VAL 19 HN VAL 19 26.751 0.581 3.836
143 HA VAL 19 HA VAL 19 29.065 -0.451 4.899
144 HB VAL 19 HB VAL 19 27.249 -1.500 2.742
145 1HG1 VAL 19 HG11 VAL 19 28.655 -3.717 3.270
146 2HG1 VAL 19 HG12 VAL 19 29.952 -2.539 3.472
147 3HG1 VAL 19 HG13 VAL 19 29.085 -2.643 1.939
148 1HG2 VAL 19 HG21 VAL 19 26.691 -1.482 5.227
149 2HG2 VAL 19 HG22 VAL 19 28.007 -2.635 5.449
150 3HG2 VAL 19 HG23 VAL 19 26.615 -3.066 4.455
151 H LYS 20 HN LYS 20 28.655 0.113 1.365
152 HA LYS 20 HA LYS 20 31.535 -0.257 0.951
153 1HB LYS 20 HB2 LYS 20 29.534 0.800 -1.055
154 2HB LYS 20 HB1 LYS 20 31.057 -0.031 -1.376
155 1HG LYS 20 HG2 LYS 20 30.204 -2.119 -0.712
156 2HG LYS 20 HG1 LYS 20 28.875 -1.391 0.192
157 1HD LYS 20 HD2 LYS 20 29.177 -1.306 -2.825
158 2HD LYS 20 HD1 LYS 20 28.099 -2.390 -1.945
159 1HE LYS 20 HE2 LYS 20 26.533 -0.777 -1.932
160 2HE LYS 20 HE1 LYS 20 27.610 0.227 -0.962
161 1HZ LYS 20 HZ1 LYS 20 27.828 0.039 -3.908
162 2HZ LYS 20 HZ2 LYS 20 28.532 1.192 -2.878
163 3HZ LYS 20 HZ3 LYS 20 26.853 1.195 -3.140
164 HN LYN 21 HN LYN 21 31.180 1.804 2.752
165 HA LYN 21 HA LYN 21 32.074 4.138 1.133
166 HB1 LYN 21 HB1 LYN 21 30.764 5.650 2.604
167 HB2 LYN 21 HB2 LYN 21 30.062 4.243 3.403
168 HG1 LYN 21 HG1 LYN 21 28.466 4.230 1.810
169 HG2 LYN 21 HG2 LYN 21 29.714 3.800 0.641
170 HD1 LYN 21 HD1 LYN 21 28.556 5.813 -0.117
171 HD2 LYN 21 HD2 LYN 21 30.208 6.231 0.341
172 HE1 LYN 21 HE1 LYN 21 29.043 6.630 2.714
173 HE2 LYN 21 HE2 LYN 21 27.629 6.901 1.695
174 HZ1 LYN 21 HZ1 LYN 21 29.174 8.405 0.359
175 HZ2 LYN 21 HZ2 LYN 21 30.195 8.362 1.717
176 HZ3 LYN 21 HZ3 LYN 21 28.618 8.979 1.855
177 H1 LYN 21 H1 LYN 21 33.540 2.125 2.798
178 H2 LYN 21 H2 LYN 21 34.305 3.013 4.026
Start of MODEL 5
1 1H HIS 1 HT1 HIS 1 1.595 6.592 1.585
2 2H HIS 1 HT2 HIS 1 3.215 7.023 1.312
3 3H HIS 1 HT3 HIS 1 2.833 5.820 2.449
4 HA HIS 1 HA HIS 1 1.944 4.421 0.656
5 1HB HIS 1 HB2 HIS 1 1.472 6.412 -0.840
6 2HB HIS 1 HB1 HIS 1 3.205 6.491 -1.161
7 HD1 HIS 1 HD1 HIS 1 0.506 3.780 -1.227
8 HD2 HIS 1 HD2 HIS 1 3.877 4.983 -3.363
9 HE1 HIS 1 HE1 HIS 1 0.719 2.189 -3.187
10 H SER 2 HN SER 2 3.548 3.173 -0.810
11 HA SER 2 HA SER 2 6.383 3.697 -0.346
12 1HB SER 2 HB2 SER 2 6.169 1.078 0.626
13 2HB SER 2 HB1 SER 2 6.570 2.515 1.560
14 HG SER 2 HG SER 2 4.452 2.744 2.109
15 H ASP 3 HN ASP 3 7.735 2.113 -1.551
16 HA ASP 3 HA ASP 3 6.458 0.061 -3.175
17 1HB ASP 3 HB2 ASP 3 5.850 2.320 -4.257
18 2HB ASP 3 HB1 ASP 3 7.554 2.421 -4.696
19 H GLY 4 HN GLY 4 8.440 -0.779 -1.802
20 1HA GLY 4 HA2 GLY 4 10.599 -1.731 -1.982
21 2HA GLY 4 HA1 GLY 4 10.698 -1.076 -3.621
22 H ILE 5 HN ILE 5 12.056 0.621 -3.917
23 HA ILE 5 HA ILE 5 13.876 1.647 -2.151
24 HB ILE 5 HB ILE 5 14.079 2.417 -4.353
25 1HG1 ILE 5 HG12 ILE 5 14.377 4.202 -2.466
26 2HG1 ILE 5 HG11 ILE 5 14.340 4.742 -4.143
27 1HG2 ILE 5 HG21 ILE 5 12.227 3.744 -5.445
28 2HG2 ILE 5 HG22 ILE 5 11.209 3.320 -4.068
29 3HG2 ILE 5 HG23 ILE 5 11.840 2.054 -5.121
30 1HD1 ILE 5 HD11 ILE 5 11.663 4.584 -2.980
31 2HD1 ILE 5 HD12 ILE 5 12.444 5.928 -3.815
32 3HD1 ILE 5 HD13 ILE 5 12.714 5.686 -2.089
33 H PHE 6 HN PHE 6 10.462 2.441 -2.224
34 HA PHE 6 HA PHE 6 10.910 4.343 0.033
35 1HB PHE 6 HB2 PHE 6 9.188 4.398 -2.259
36 2HB PHE 6 HB1 PHE 6 8.192 4.354 -0.802
37 HD1 PHE 6 HD1 PHE 6 8.597 6.037 1.027
38 HD2 PHE 6 HD2 PHE 6 10.450 6.326 -2.834
39 HE1 PHE 6 HE1 PHE 6 9.118 8.425 1.457
40 HE2 PHE 6 HE2 PHE 6 10.972 8.714 -2.408
41 HZ PHE 6 HZ PHE 6 10.306 9.764 -0.261
42 H THR 7 HN THR 7 11.219 2.336 1.420
43 HA THR 7 HA THR 7 8.864 1.768 2.901
44 HB THR 7 HB THR 7 8.292 0.458 0.852
45 HG1 THR 7 HG1 THR 7 7.492 -0.227 2.830
46 1HG2 THR 7 HG21 THR 7 9.809 -0.865 -0.139
47 2HG2 THR 7 HG22 THR 7 10.065 -1.755 1.362
48 3HG2 THR 7 HG23 THR 7 11.001 -0.298 1.030
49 H ASP 8 HN ASP 8 9.871 -1.108 3.366
50 HA ASP 8 HA ASP 8 12.055 -0.261 5.180
51 1HB ASP 8 HB2 ASP 8 10.256 -1.430 6.281
52 2HB ASP 8 HB1 ASP 8 10.326 -2.742 5.105
53 H SER 9 HN SER 9 11.355 -3.133 3.138
54 HA SER 9 HA SER 9 13.774 -4.399 3.078
55 1HB SER 9 HB2 SER 9 13.055 -4.072 0.331
56 2HB SER 9 HB1 SER 9 12.826 -5.477 1.360
57 HG SER 9 HG SER 9 10.869 -4.623 2.034
58 H TYR 10 HN TYR 10 13.080 -1.868 0.633
59 HA TYR 10 HA TYR 10 15.610 -1.487 -0.375
60 1HB TYR 10 HB2 TYR 10 14.565 0.185 -1.430
61 2HB TYR 10 HB1 TYR 10 13.185 -0.067 -0.381
62 HD1 TYR 10 HD1 TYR 10 12.870 1.309 1.652
63 HD2 TYR 10 HD2 TYR 10 16.119 2.025 -1.066
64 HE1 TYR 10 HE1 TYR 10 13.244 3.529 2.686
65 HE2 TYR 10 HE2 TYR 10 16.492 4.246 -0.030
66 HH TYR 10 HH TYR 10 15.987 5.277 2.341
67 H SER 11 HN SER 11 14.349 0.132 2.547
68 HA SER 11 HA SER 11 16.625 1.614 3.220
69 1HB SER 11 HB2 SER 11 14.523 1.754 4.466
70 2HB SER 11 HB1 SER 11 14.737 0.112 5.062
71 HG SER 11 HG SER 11 15.558 1.361 6.646
72 H ARG 12 HN ARG 12 16.062 -1.830 3.511
73 HA ARG 12 HA ARG 12 18.561 -2.231 5.022
74 1HB ARG 12 HB2 ARG 12 17.918 -4.504 5.249
75 2HB ARG 12 HB1 ARG 12 16.418 -3.593 5.383
76 1HG ARG 12 HG2 ARG 12 15.576 -4.460 3.459
77 2HG ARG 12 HG1 ARG 12 17.122 -4.403 2.625
78 1HD ARG 12 HD2 ARG 12 16.297 -6.455 4.692
79 2HD ARG 12 HD1 ARG 12 16.413 -6.726 2.953
80 HE ARG 12 HE ARG 12 18.795 -6.036 4.631
81 1HH1 ARG 12 HH21 ARG 12 17.312 -8.627 3.175
82 2HH1 ARG 12 HH22 ARG 12 18.657 -9.090 2.187
83 1HH2 ARG 12 HH11 ARG 12 20.496 -6.236 2.890
84 2HH2 ARG 12 HH12 ARG 12 20.460 -7.737 2.026
85 H TYR 13 HN TYR 13 17.401 -2.475 1.726
86 HA TYR 13 HA TYR 13 19.882 -3.823 0.860
87 1HB TYR 13 HB2 TYR 13 18.536 -4.629 -0.763
88 2HB TYR 13 HB1 TYR 13 17.201 -3.696 -0.112
89 HD1 TYR 13 HD1 TYR 13 16.059 -2.522 -1.764
90 HD2 TYR 13 HD2 TYR 13 20.333 -2.852 -2.035
91 HE1 TYR 13 HE1 TYR 13 16.038 -1.141 -3.819
92 HE2 TYR 13 HE2 TYR 13 20.310 -1.470 -4.092
93 HH TYR 13 HH TYR 13 18.984 -0.598 -5.702
94 H ARG 14 HN ARG 14 18.182 -0.742 0.372
95 HA ARG 14 HA ARG 14 20.059 0.559 -1.286
96 1HB ARG 14 HB2 ARG 14 17.824 1.498 -0.538
97 2HB ARG 14 HB1 ARG 14 18.580 1.892 1.008
98 1HG ARG 14 HG2 ARG 14 20.341 2.861 -0.955
99 2HG ARG 14 HG1 ARG 14 18.728 3.316 -1.503
100 1HD ARG 14 HD2 ARG 14 18.676 4.961 0.028
101 2HD ARG 14 HD1 ARG 14 18.844 3.763 1.311
102 HE ARG 14 HE ARG 14 21.063 4.491 1.551
103 1HH1 ARG 14 HH11 ARG 14 19.985 6.679 -0.530
104 2HH1 ARG 14 HH12 ARG 14 21.384 6.769 -1.548
105 1HH2 ARG 14 HH21 ARG 14 22.848 3.912 -0.237
106 2HH2 ARG 14 HH22 ARG 14 23.004 5.202 -1.382
107 H LYS 15 HN LYS 15 19.898 0.780 2.286
108 HA LYS 15 HA LYS 15 22.234 2.194 2.775
109 1HB LYS 15 HB2 LYS 15 21.265 -0.218 4.340
110 2HB LYS 15 HB1 LYS 15 22.358 1.029 4.940
111 1HG LYS 15 HG2 LYS 15 19.586 1.650 3.897
112 2HG LYS 15 HG1 LYS 15 19.914 1.315 5.597
113 1HD LYS 15 HD2 LYS 15 21.779 3.262 4.468
114 2HD LYS 15 HD1 LYS 15 20.102 3.800 4.367
115 1HE LYS 15 HE2 LYS 15 19.800 3.368 6.767
116 2HE LYS 15 HE1 LYS 15 21.460 2.783 6.881
117 1HZ LYS 15 HZ1 LYS 15 21.034 5.434 5.730
118 2HZ LYS 15 HZ2 LYS 15 22.310 4.861 6.694
119 3HZ LYS 15 HZ3 LYS 15 20.823 5.271 7.405
120 H GLN 16 HN GLN 16 22.006 -1.360 2.410
121 HA GLN 16 HA GLN 16 24.629 -2.129 2.755
122 1HB GLN 16 HB2 GLN 16 22.659 -3.008 0.633
123 2HB GLN 16 HB1 GLN 16 24.236 -3.772 0.828
124 1HG GLN 16 HG2 GLN 16 22.041 -3.588 2.909
125 2HG GLN 16 HG1 GLN 16 22.624 -5.048 2.110
126 1HE2 GLN 16 HE21 GLN 16 22.681 -4.302 5.054
127 2HE2 GLN 16 HE22 GLN 16 24.312 -4.435 5.505
128 H MET 17 HN MET 17 23.306 -0.471 -0.094
129 HA MET 17 HA MET 17 25.430 -0.618 -1.875
130 1HB MET 17 HB2 MET 17 23.743 1.803 -1.181
131 2HB MET 17 HB1 MET 17 24.795 1.705 -2.593
132 1HG MET 17 HG2 MET 17 22.732 -0.428 -2.080
133 2HG MET 17 HG1 MET 17 22.281 1.080 -2.877
134 1HE MET 17 HE1 MET 17 23.184 -2.507 -4.668
135 2HE MET 17 HE2 MET 17 21.936 -1.401 -5.235
136 3HE MET 17 HE3 MET 17 22.071 -1.757 -3.515
137 H ALA 18 HN ALA 18 25.130 2.325 0.102
138 HA ALA 18 HA ALA 18 27.740 3.209 -0.075
139 1HB ALA 18 HB1 ALA 18 25.989 4.454 1.126
140 2HB ALA 18 HB2 ALA 18 27.425 4.280 2.134
141 3HB ALA 18 HB3 ALA 18 26.018 3.255 2.419
142 H VAL 19 HN VAL 19 26.555 1.116 2.557
143 HA VAL 19 HA VAL 19 28.864 0.557 3.933
144 HB VAL 19 HB VAL 19 26.578 -1.222 3.121
145 1HG1 VAL 19 HG11 VAL 19 29.153 -2.075 4.442
146 2HG1 VAL 19 HG12 VAL 19 28.260 -2.878 3.150
147 3HG1 VAL 19 HG13 VAL 19 27.635 -2.900 4.799
148 1HG2 VAL 19 HG21 VAL 19 25.890 -0.920 5.319
149 2HG2 VAL 19 HG22 VAL 19 26.749 0.598 5.055
150 3HG2 VAL 19 HG23 VAL 19 27.537 -0.724 5.917
151 H LYS 20 HN LYS 20 27.920 -1.243 0.960
152 HA LYS 20 HA LYS 20 30.453 -2.601 0.771
153 1HB LYS 20 HB2 LYS 20 28.486 -2.033 -1.465
154 2HB LYS 20 HB1 LYS 20 29.694 -3.318 -1.415
155 1HG LYS 20 HG2 LYS 20 28.557 -4.315 0.537
156 2HG LYS 20 HG1 LYS 20 27.343 -3.036 0.480
157 1HD LYS 20 HD2 LYS 20 27.813 -4.529 -2.049
158 2HD LYS 20 HD1 LYS 20 27.003 -5.410 -0.753
159 1HE LYS 20 HE2 LYS 20 25.551 -3.223 -0.565
160 2HE LYS 20 HE1 LYS 20 26.101 -2.950 -2.218
161 1HZ LYS 20 HZ1 LYS 20 25.319 -5.227 -2.739
162 2HZ LYS 20 HZ2 LYS 20 24.071 -4.164 -2.294
163 3HZ LYS 20 HZ3 LYS 20 24.643 -5.319 -1.187
164 HN LYN 21 HN LYN 21 31.146 -2.146 -1.953
165 HA LYN 21 HA LYN 21 31.531 0.599 -2.613
166 HB1 LYN 21 HB1 LYN 21 34.171 -0.382 -1.716
167 HB2 LYN 21 HB2 LYN 21 33.036 -0.019 -0.415
168 HG1 LYN 21 HG1 LYN 21 33.226 1.962 -2.634
169 HG2 LYN 21 HG2 LYN 21 34.598 1.868 -1.529
170 HD1 LYN 21 HD1 LYN 21 33.199 2.322 0.371
171 HD2 LYN 21 HD2 LYN 21 31.731 2.116 -0.584
172 HE1 LYN 21 HE1 LYN 21 33.573 4.130 -1.678
173 HE2 LYN 21 HE2 LYN 21 32.962 4.533 -0.073
174 HZ1 LYN 21 HZ1 LYN 21 30.756 3.631 -1.316
175 HZ2 LYN 21 HZ2 LYN 21 31.570 4.397 -2.595
176 HZ3 LYN 21 HZ3 LYN 21 31.186 5.266 -1.186
177 H1 LYN 21 H1 LYN 21 33.859 0.603 -4.053
178 H2 LYN 21 H2 LYN 21 33.912 -0.699 -5.141
Start of MODEL 6
1 1H HIS 1 HT1 HIS 1 5.846 6.484 -0.239
2 2H HIS 1 HT2 HIS 1 6.906 5.161 -0.340
3 3H HIS 1 HT3 HIS 1 7.279 6.477 0.668
4 HA HIS 1 HA HIS 1 6.451 5.153 2.272
5 1HB HIS 1 HB2 HIS 1 4.147 5.684 2.720
6 2HB HIS 1 HB1 HIS 1 4.844 7.088 1.911
7 HD1 HIS 1 HD1 HIS 1 4.215 7.437 -0.628
8 HD2 HIS 1 HD2 HIS 1 2.130 4.360 1.261
9 HE1 HIS 1 HE1 HIS 1 2.280 6.843 -2.150
10 H SER 2 HN SER 2 6.444 2.958 2.409
11 HA SER 2 HA SER 2 6.014 0.711 1.841
12 1HB SER 2 HB2 SER 2 3.386 2.008 1.118
13 2HB SER 2 HB1 SER 2 3.641 0.267 1.190
14 HG SER 2 HG SER 2 2.916 1.715 3.158
15 H ASP 3 HN ASP 3 7.041 2.627 -0.289
16 HA ASP 3 HA ASP 3 6.140 1.018 -2.644
17 1HB ASP 3 HB2 ASP 3 5.418 3.467 -2.517
18 2HB ASP 3 HB1 ASP 3 7.109 3.866 -2.775
19 H GLY 4 HN GLY 4 8.240 0.008 -1.272
20 1HA GLY 4 HA2 GLY 4 10.409 -0.810 -1.813
21 2HA GLY 4 HA1 GLY 4 10.410 0.243 -3.229
22 H ILE 5 HN ILE 5 11.608 2.107 -3.129
23 HA ILE 5 HA ILE 5 13.586 2.657 -1.327
24 HB ILE 5 HB ILE 5 13.503 4.101 -3.178
25 1HG1 ILE 5 HG12 ILE 5 12.587 5.678 -0.750
26 2HG1 ILE 5 HG11 ILE 5 14.251 5.367 -1.247
27 1HG2 ILE 5 HG21 ILE 5 10.680 4.756 -2.304
28 2HG2 ILE 5 HG22 ILE 5 11.158 3.824 -3.724
29 3HG2 ILE 5 HG23 ILE 5 11.520 5.548 -3.638
30 1HD1 ILE 5 HD11 ILE 5 13.863 7.538 -2.056
31 2HD1 ILE 5 HD12 ILE 5 12.205 7.166 -2.528
32 3HD1 ILE 5 HD13 ILE 5 13.553 6.533 -3.471
33 H PHE 6 HN PHE 6 10.168 3.237 -0.811
34 HA PHE 6 HA PHE 6 10.833 4.291 1.905
35 1HB PHE 6 HB2 PHE 6 8.734 4.899 -0.054
36 2HB PHE 6 HB1 PHE 6 8.115 4.642 1.579
37 HD1 PHE 6 HD1 PHE 6 8.994 6.001 3.480
38 HD2 PHE 6 HD2 PHE 6 10.101 6.790 -0.593
39 HE1 PHE 6 HE1 PHE 6 9.828 8.244 4.140
40 HE2 PHE 6 HE2 PHE 6 10.933 9.032 0.064
41 HZ PHE 6 HZ PHE 6 10.797 9.759 2.432
42 H THR 7 HN THR 7 11.287 1.934 2.438
43 HA THR 7 HA THR 7 9.056 0.782 3.806
44 HB THR 7 HB THR 7 8.422 0.169 1.467
45 HG1 THR 7 HG1 THR 7 7.863 -1.179 3.210
46 1HG2 THR 7 HG21 THR 7 11.178 -0.378 1.247
47 2HG2 THR 7 HG22 THR 7 9.938 -0.639 0.020
48 3HG2 THR 7 HG23 THR 7 10.365 -1.939 1.132
49 H ASP 8 HN ASP 8 10.272 -2.004 3.236
50 HA ASP 8 HA ASP 8 12.536 -1.611 5.112
51 1HB ASP 8 HB2 ASP 8 10.901 -3.204 5.892
52 2HB ASP 8 HB1 ASP 8 10.934 -4.064 4.352
53 H SER 9 HN SER 9 11.811 -3.720 2.298
54 HA SER 9 HA SER 9 14.281 -4.713 1.688
55 1HB SER 9 HB2 SER 9 13.618 -4.036 -0.807
56 2HB SER 9 HB1 SER 9 12.800 -5.325 0.065
57 HG SER 9 HG SER 9 11.786 -3.055 -0.882
58 H TYR 10 HN TYR 10 13.247 -1.556 0.298
59 HA TYR 10 HA TYR 10 15.677 -0.733 -0.730
60 1HB TYR 10 HB2 TYR 10 14.511 1.153 -1.091
61 2HB TYR 10 HB1 TYR 10 13.214 0.489 -0.115
62 HD1 TYR 10 HD1 TYR 10 12.963 1.115 2.253
63 HD2 TYR 10 HD2 TYR 10 16.077 2.799 -0.182
64 HE1 TYR 10 HE1 TYR 10 13.347 2.869 3.959
65 HE2 TYR 10 HE2 TYR 10 16.459 4.554 1.525
66 HH TYR 10 HH TYR 10 15.837 4.497 4.391
67 H SER 11 HN SER 11 14.584 -0.221 2.630
68 HA SER 11 HA SER 11 16.841 1.065 3.652
69 1HB SER 11 HB2 SER 11 14.822 0.636 4.981
70 2HB SER 11 HB1 SER 11 15.165 -1.094 4.972
71 HG SER 11 HG SER 11 15.887 0.245 6.855
72 H ARG 12 HN ARG 12 16.303 -2.465 3.455
73 HA ARG 12 HA ARG 12 19.038 -3.080 4.224
74 1HB ARG 12 HB2 ARG 12 18.448 -5.363 3.850
75 2HB ARG 12 HB1 ARG 12 16.979 -4.608 4.464
76 1HG ARG 12 HG2 ARG 12 15.983 -4.546 2.327
77 2HG ARG 12 HG1 ARG 12 17.512 -4.829 1.499
78 1HD ARG 12 HD2 ARG 12 16.060 -6.812 3.274
79 2HD ARG 12 HD1 ARG 12 16.156 -6.878 1.514
80 HE ARG 12 HE ARG 12 18.596 -7.282 1.759
81 1HH1 ARG 12 HH21 ARG 12 16.581 -9.012 3.623
82 2HH1 ARG 12 HH22 ARG 12 17.681 -9.329 4.922
83 1HH2 ARG 12 HH11 ARG 12 20.040 -7.030 3.837
84 2HH2 ARG 12 HH12 ARG 12 19.640 -8.207 5.043
85 H TYR 13 HN TYR 13 17.399 -2.261 1.309
86 HA TYR 13 HA TYR 13 19.542 -3.311 -0.423
87 1HB TYR 13 HB2 TYR 13 17.718 -3.527 -1.750
88 2HB TYR 13 HB1 TYR 13 16.762 -2.463 -0.728
89 HD1 TYR 13 HD1 TYR 13 18.269 -2.841 -3.904
90 HD2 TYR 13 HD2 TYR 13 17.329 0.118 -0.936
91 HE1 TYR 13 HE1 TYR 13 18.423 -1.065 -5.626
92 HE2 TYR 13 HE2 TYR 13 17.483 1.894 -2.657
93 HH TYR 13 HH TYR 13 18.260 1.102 -6.051
94 H ARG 14 HN ARG 14 19.186 -0.648 1.502
95 HA ARG 14 HA ARG 14 20.436 1.255 -0.397
96 1HB ARG 14 HB2 ARG 14 18.574 1.768 1.416
97 2HB ARG 14 HB1 ARG 14 19.965 1.892 2.494
98 1HG ARG 14 HG2 ARG 14 20.891 3.355 0.429
99 2HG ARG 14 HG1 ARG 14 19.163 3.643 0.227
100 1HD ARG 14 HD2 ARG 14 19.037 4.915 2.102
101 2HD ARG 14 HD1 ARG 14 20.075 3.823 3.018
102 HE ARG 14 HE ARG 14 21.930 4.982 1.477
103 1HH1 ARG 14 HH21 ARG 14 20.778 6.024 4.244
104 2HH1 ARG 14 HH22 ARG 14 20.766 7.723 3.906
105 1HH2 ARG 14 HH11 ARG 14 21.221 7.317 0.493
106 2HH2 ARG 14 HH12 ARG 14 21.017 8.455 1.782
107 H LYS 15 HN LYS 15 21.123 0.483 3.032
108 HA LYS 15 HA LYS 15 23.759 1.289 3.157
109 1HB LYS 15 HB2 LYS 15 22.398 -1.103 4.400
110 2HB LYS 15 HB1 LYS 15 24.082 -0.714 4.753
111 1HG LYS 15 HG2 LYS 15 23.049 0.492 6.434
112 2HG LYS 15 HG1 LYS 15 23.062 1.713 5.161
113 1HD LYS 15 HD2 LYS 15 20.793 1.430 4.681
114 2HD LYS 15 HD1 LYS 15 20.750 -0.196 5.364
115 1HE LYS 15 HE2 LYS 15 20.573 0.571 7.540
116 2HE LYS 15 HE1 LYS 15 21.415 2.080 7.188
117 1HZ LYS 15 HZ1 LYS 15 19.230 2.741 7.419
118 2HZ LYS 15 HZ2 LYS 15 18.608 1.358 6.653
119 3HZ LYS 15 HZ3 LYS 15 19.371 2.569 5.737
120 H GLN 16 HN GLN 16 22.652 -1.924 2.038
121 HA GLN 16 HA GLN 16 25.068 -3.153 1.472
122 1HB GLN 16 HB2 GLN 16 22.529 -3.113 -0.181
123 2HB GLN 16 HB1 GLN 16 23.896 -4.161 -0.555
124 1HG GLN 16 HG2 GLN 16 22.236 -4.150 1.977
125 2HG GLN 16 HG1 GLN 16 22.377 -5.450 0.794
126 1HE2 GLN 16 HE21 GLN 16 25.294 -5.182 0.450
127 2HE2 GLN 16 HE22 GLN 16 26.005 -5.758 1.880
128 H MET 17 HN MET 17 23.409 -0.751 -0.577
129 HA MET 17 HA MET 17 25.051 -0.674 -2.800
130 1HB MET 17 HB2 MET 17 23.969 1.698 -1.253
131 2HB MET 17 HB1 MET 17 24.605 1.781 -2.896
132 1HG MET 17 HG2 MET 17 22.626 -0.349 -2.568
133 2HG MET 17 HG1 MET 17 21.968 1.248 -2.212
134 1HE MET 17 HE1 MET 17 20.410 1.366 -3.768
135 2HE MET 17 HE2 MET 17 20.578 -0.042 -4.812
136 3HE MET 17 HE3 MET 17 20.565 1.572 -5.518
137 H ALA 18 HN ALA 18 25.642 1.685 -0.186
138 HA ALA 18 HA ALA 18 28.215 2.421 -0.836
139 1HB ALA 18 HB1 ALA 18 28.606 2.873 1.547
140 2HB ALA 18 HB2 ALA 18 27.244 1.837 1.974
141 3HB ALA 18 HB3 ALA 18 26.966 3.341 1.096
142 H VAL 19 HN VAL 19 27.473 -0.257 1.395
143 HA VAL 19 HA VAL 19 29.962 -1.320 1.866
144 HB VAL 19 HB VAL 19 27.326 -2.658 1.309
145 1HG1 VAL 19 HG11 VAL 19 30.017 -3.953 1.392
146 2HG1 VAL 19 HG12 VAL 19 28.561 -4.445 0.527
147 3HG1 VAL 19 HG13 VAL 19 28.703 -4.748 2.258
148 1HG2 VAL 19 HG21 VAL 19 29.113 -2.846 3.740
149 2HG2 VAL 19 HG22 VAL 19 27.372 -3.110 3.641
150 3HG2 VAL 19 HG23 VAL 19 28.026 -1.478 3.499
151 H LYS 20 HN LYS 20 28.047 -2.119 -1.075
152 HA LYS 20 HA LYS 20 30.439 -3.307 -2.310
153 1HB LYS 20 HB2 LYS 20 27.808 -2.796 -3.696
154 2HB LYS 20 HB1 LYS 20 28.995 -4.059 -4.024
155 1HG LYS 20 HG2 LYS 20 28.427 -5.255 -2.047
156 2HG LYS 20 HG1 LYS 20 27.530 -3.887 -1.387
157 1HD LYS 20 HD2 LYS 20 26.711 -5.180 -3.986
158 2HD LYS 20 HD1 LYS 20 26.161 -5.816 -2.435
159 1HE LYS 20 HE2 LYS 20 25.394 -3.435 -1.895
160 2HE LYS 20 HE1 LYS 20 25.656 -3.072 -3.601
161 1HZ LYS 20 HZ1 LYS 20 24.083 -4.717 -4.225
162 2HZ LYS 20 HZ2 LYS 20 23.351 -3.758 -3.028
163 3HZ LYS 20 HZ3 LYS 20 23.950 -5.299 -2.638
164 HN LYN 21 HN LYN 21 30.873 -0.615 -1.737
165 HA LYN 21 HA LYN 21 30.942 0.538 -4.492
166 HB1 LYN 21 HB1 LYN 21 30.841 2.572 -2.409
167 HB2 LYN 21 HB2 LYN 21 29.407 1.545 -2.380
168 HG1 LYN 21 HG1 LYN 21 29.292 1.902 -4.918
169 HG2 LYN 21 HG2 LYN 21 30.485 3.180 -4.687
170 HD1 LYN 21 HD1 LYN 21 28.049 3.174 -2.944
171 HD2 LYN 21 HD2 LYN 21 27.882 3.716 -4.614
172 HE1 LYN 21 HE1 LYN 21 30.233 4.937 -3.657
173 HE2 LYN 21 HE2 LYN 21 29.057 5.099 -2.353
174 HZ1 LYN 21 HZ1 LYN 21 28.796 5.995 -5.163
175 HZ2 LYN 21 HZ2 LYN 21 28.740 6.941 -3.753
176 HZ3 LYN 21 HZ3 LYN 21 27.464 5.880 -4.118
177 H1 LYN 21 H1 LYN 21 32.775 -0.610 -1.981
178 H2 LYN 21 H2 LYN 21 34.165 0.343 -2.179
Start of MODEL 7
1 1H HIS 1 HT1 HIS 1 0.843 -2.530 -1.424
2 2H HIS 1 HT2 HIS 1 2.012 -1.467 -0.798
3 3H HIS 1 HT3 HIS 1 2.199 -3.146 -0.611
4 HA HIS 1 HA HIS 1 2.414 -3.402 -3.016
5 1HB HIS 1 HB2 HIS 1 1.067 -1.345 -3.540
6 2HB HIS 1 HB1 HIS 1 2.441 -0.370 -3.017
7 HD1 HIS 1 HD1 HIS 1 3.135 0.557 -5.288
8 HD2 HIS 1 HD2 HIS 1 2.855 -3.602 -5.265
9 HE1 HIS 1 HE1 HIS 1 4.123 -0.239 -7.480
10 H SER 2 HN SER 2 4.569 -3.491 -3.791
11 HA SER 2 HA SER 2 6.665 -1.801 -2.758
12 1HB SER 2 HB2 SER 2 7.608 -4.233 -1.754
13 2HB SER 2 HB1 SER 2 7.055 -2.857 -0.804
14 HG SER 2 HG SER 2 5.739 -5.224 -1.502
15 H ASP 3 HN ASP 3 8.798 -2.465 -3.654
16 HA ASP 3 HA ASP 3 9.026 -4.777 -5.382
17 1HB ASP 3 HB2 ASP 3 7.461 -3.174 -6.638
18 2HB ASP 3 HB1 ASP 3 8.874 -2.138 -6.835
19 H GLY 4 HN GLY 4 10.961 -4.524 -3.759
20 1HA GLY 4 HA2 GLY 4 13.297 -4.172 -3.621
21 2HA GLY 4 HA1 GLY 4 13.234 -3.452 -5.233
22 H ILE 5 HN ILE 5 13.460 -1.269 -5.356
23 HA ILE 5 HA ILE 5 14.232 0.426 -3.344
24 HB ILE 5 HB ILE 5 14.261 1.327 -5.518
25 1HG1 ILE 5 HG12 ILE 5 11.980 2.642 -4.003
26 2HG1 ILE 5 HG11 ILE 5 13.689 3.068 -3.911
27 1HG2 ILE 5 HG21 ILE 5 11.764 -0.061 -5.720
28 2HG2 ILE 5 HG22 ILE 5 12.759 0.606 -7.015
29 3HG2 ILE 5 HG23 ILE 5 11.528 1.607 -6.242
30 1HD1 ILE 5 HD11 ILE 5 11.839 3.377 -6.286
31 2HD1 ILE 5 HD12 ILE 5 13.591 3.543 -6.404
32 3HD1 ILE 5 HD13 ILE 5 12.666 4.654 -5.395
33 H PHE 6 HN PHE 6 10.965 -0.733 -3.875
34 HA PHE 6 HA PHE 6 10.050 1.002 -1.623
35 1HB PHE 6 HB2 PHE 6 8.786 0.035 -4.090
36 2HB PHE 6 HB1 PHE 6 7.782 -0.168 -2.652
37 HD1 PHE 6 HD1 PHE 6 9.289 2.204 -4.963
38 HD2 PHE 6 HD2 PHE 6 7.263 1.795 -1.199
39 HE1 PHE 6 HE1 PHE 6 8.781 4.633 -4.975
40 HE2 PHE 6 HE2 PHE 6 6.752 4.224 -1.210
41 HZ PHE 6 HZ PHE 6 7.512 5.643 -3.098
42 H THR 7 HN THR 7 11.164 -0.589 -0.152
43 HA THR 7 HA THR 7 9.310 -2.413 0.996
44 HB THR 7 HB THR 7 9.795 -3.780 -1.001
45 HG1 THR 7 HG1 THR 7 9.429 -5.048 0.699
46 1HG2 THR 7 HG21 THR 7 12.471 -4.577 -0.412
47 2HG2 THR 7 HG22 THR 7 12.438 -2.819 -0.542
48 3HG2 THR 7 HG23 THR 7 11.857 -3.813 -1.878
49 H ASP 8 HN ASP 8 11.627 -4.273 1.756
50 HA ASP 8 HA ASP 8 12.746 -2.380 3.746
51 1HB ASP 8 HB2 ASP 8 13.021 -4.186 5.203
52 2HB ASP 8 HB1 ASP 8 11.528 -4.586 4.359
53 H SER 9 HN SER 9 13.859 -5.089 1.661
54 HA SER 9 HA SER 9 16.590 -4.947 2.061
55 1HB SER 9 HB2 SER 9 16.638 -5.154 -0.607
56 2HB SER 9 HB1 SER 9 16.152 -6.486 0.431
57 HG SER 9 HG SER 9 14.733 -5.427 -1.443
58 H TYR 10 HN TYR 10 14.946 -2.958 -0.460
59 HA TYR 10 HA TYR 10 17.083 -1.307 -1.109
60 1HB TYR 10 HB2 TYR 10 15.498 -0.325 -2.355
61 2HB TYR 10 HB1 TYR 10 14.301 -1.316 -1.548
62 HD1 TYR 10 HD1 TYR 10 15.875 2.003 -1.701
63 HD2 TYR 10 HD2 TYR 10 12.962 -0.428 0.312
64 HE1 TYR 10 HE1 TYR 10 14.897 4.033 -0.666
65 HE2 TYR 10 HE2 TYR 10 11.983 1.602 1.346
66 HH TYR 10 HH TYR 10 11.891 4.082 0.796
67 H SER 11 HN SER 11 14.706 -0.749 1.490
68 HA SER 11 HA SER 11 15.724 1.612 2.564
69 1HB SER 11 HB2 SER 11 13.698 0.513 3.409
70 2HB SER 11 HB1 SER 11 14.667 -0.812 4.054
71 HG SER 11 HG SER 11 14.039 1.046 5.496
72 H ARG 12 HN ARG 12 16.725 -1.714 3.418
73 HA ARG 12 HA ARG 12 18.981 -0.790 4.998
74 1HB ARG 12 HB2 ARG 12 19.475 -3.079 5.333
75 2HB ARG 12 HB1 ARG 12 17.724 -3.064 5.154
76 1HG ARG 12 HG2 ARG 12 17.835 -3.889 2.937
77 2HG ARG 12 HG1 ARG 12 19.557 -3.540 2.797
78 1HD ARG 12 HD2 ARG 12 19.219 -5.939 3.152
79 2HD ARG 12 HD1 ARG 12 20.019 -5.231 4.555
80 HE ARG 12 HE ARG 12 17.077 -5.429 4.704
81 1HH1 ARG 12 HH11 ARG 12 18.961 -5.165 7.060
82 2HH1 ARG 12 HH12 ARG 12 18.947 -6.777 7.695
83 1HH2 ARG 12 HH21 ARG 12 17.579 -8.178 4.834
84 2HH2 ARG 12 HH22 ARG 12 18.165 -8.482 6.435
85 H TYR 13 HN TYR 13 18.372 -1.459 1.667
86 HA TYR 13 HA TYR 13 21.223 -1.621 0.960
87 1HB TYR 13 HB2 TYR 13 20.253 -2.909 -0.633
88 2HB TYR 13 HB1 TYR 13 18.656 -2.265 -0.281
89 HD1 TYR 13 HD1 TYR 13 21.234 -2.447 -2.689
90 HD2 TYR 13 HD2 TYR 13 18.211 0.195 -1.165
91 HE1 TYR 13 HE1 TYR 13 21.305 -1.149 -4.801
92 HE2 TYR 13 HE2 TYR 13 18.282 1.494 -3.275
93 HH TYR 13 HH TYR 13 19.087 1.578 -5.355
94 H ARG 14 HN ARG 14 19.424 0.842 1.961
95 HA ARG 14 HA ARG 14 20.464 2.758 -0.084
96 1HB ARG 14 HB2 ARG 14 17.902 2.527 0.938
97 2HB ARG 14 HB1 ARG 14 18.593 3.824 1.913
98 1HG ARG 14 HG2 ARG 14 19.451 4.751 -0.374
99 2HG ARG 14 HG1 ARG 14 18.210 3.706 -1.068
100 1HD ARG 14 HD2 ARG 14 16.790 5.431 -0.693
101 2HD ARG 14 HD1 ARG 14 16.861 4.944 1.000
102 HE ARG 14 HE ARG 14 18.937 6.837 0.067
103 1HH1 ARG 14 HH21 ARG 14 17.539 6.008 2.840
104 2HH1 ARG 14 HH22 ARG 14 16.886 7.557 3.260
105 1HH2 ARG 14 HH11 ARG 14 17.429 8.933 0.125
106 2HH2 ARG 14 HH12 ARG 14 16.824 9.213 1.723
107 H LYS 15 HN LYS 15 19.579 3.162 3.351
108 HA LYS 15 HA LYS 15 21.512 5.054 4.005
109 1HB LYS 15 HB2 LYS 15 21.435 3.832 6.348
110 2HB LYS 15 HB1 LYS 15 20.007 4.665 5.733
111 1HG LYS 15 HG2 LYS 15 20.154 1.935 4.734
112 2HG LYS 15 HG1 LYS 15 20.153 1.979 6.496
113 1HD LYS 15 HD2 LYS 15 18.155 3.413 4.722
114 2HD LYS 15 HD1 LYS 15 17.849 1.899 5.574
115 1HE LYS 15 HE2 LYS 15 18.860 4.234 7.150
116 2HE LYS 15 HE1 LYS 15 17.166 4.223 6.659
117 1HZ LYS 15 HZ1 LYS 15 18.333 2.846 8.772
118 2HZ LYS 15 HZ2 LYS 15 17.876 1.678 7.626
119 3HZ LYS 15 HZ3 LYS 15 16.724 2.764 8.243
120 H GLN 16 HN GLN 16 21.893 1.493 4.234
121 HA GLN 16 HA GLN 16 24.477 1.363 5.250
122 1HB GLN 16 HB2 GLN 16 24.720 -0.776 4.170
123 2HB GLN 16 HB1 GLN 16 23.024 -0.609 4.615
124 1HG GLN 16 HG2 GLN 16 22.509 0.141 2.307
125 2HG GLN 16 HG1 GLN 16 24.204 -0.080 1.874
126 1HE2 GLN 16 HE21 GLN 16 23.575 -1.781 0.312
127 2HE2 GLN 16 HE22 GLN 16 23.139 -3.328 0.860
128 H MET 17 HN MET 17 23.578 1.865 1.828
129 HA MET 17 HA MET 17 26.047 1.890 0.586
130 1HB MET 17 HB2 MET 17 23.618 3.603 0.193
131 2HB MET 17 HB1 MET 17 25.106 4.080 -0.617
132 1HG MET 17 HG2 MET 17 23.590 2.528 -1.948
133 2HG MET 17 HG1 MET 17 25.264 2.003 -1.782
134 1HE MET 17 HE1 MET 17 24.853 -1.421 -1.049
135 2HE MET 17 HE2 MET 17 25.607 -0.054 -1.865
136 3HE MET 17 HE3 MET 17 24.071 -0.684 -2.454
137 H ALA 18 HN ALA 18 24.711 5.001 1.722
138 HA ALA 18 HA ALA 18 26.983 6.538 1.682
139 1HB ALA 18 HB1 ALA 18 24.978 6.482 3.953
140 2HB ALA 18 HB2 ALA 18 24.791 7.379 2.445
141 3HB ALA 18 HB3 ALA 18 26.068 7.818 3.580
142 H VAL 19 HN VAL 19 26.028 4.610 4.522
143 HA VAL 19 HA VAL 19 28.186 4.991 6.192
144 HB VAL 19 HB VAL 19 26.588 2.524 5.557
145 1HG1 VAL 19 HG11 VAL 19 29.139 2.667 7.128
146 2HG1 VAL 19 HG12 VAL 19 28.528 1.366 6.106
147 3HG1 VAL 19 HG13 VAL 19 27.841 1.624 7.710
148 1HG2 VAL 19 HG21 VAL 19 26.100 4.666 7.140
149 2HG2 VAL 19 HG22 VAL 19 26.939 3.632 8.297
150 3HG2 VAL 19 HG23 VAL 19 25.477 3.055 7.497
151 H LYS 20 HN LYS 20 28.180 2.532 3.556
152 HA LYS 20 HA LYS 20 31.077 2.178 3.865
153 1HB LYS 20 HB2 LYS 20 29.344 1.070 1.651
154 2HB LYS 20 HB1 LYS 20 30.867 0.426 2.265
155 1HG LYS 20 HG2 LYS 20 29.887 -0.412 4.208
156 2HG LYS 20 HG1 LYS 20 28.533 0.716 4.131
157 1HD LYS 20 HD2 LYS 20 29.001 -1.603 2.233
158 2HD LYS 20 HD1 LYS 20 27.810 -1.566 3.534
159 1HE LYS 20 HE2 LYS 20 26.347 -0.543 2.169
160 2HE LYS 20 HE1 LYS 20 27.473 0.801 1.972
161 1HZ LYS 20 HZ1 LYS 20 28.539 -0.340 0.177
162 2HZ LYS 20 HZ2 LYS 20 26.870 -0.293 -0.137
163 3HZ LYS 20 HZ3 LYS 20 27.593 -1.726 0.419
164 HN LYN 21 HN LYN 21 29.602 4.727 2.750
165 HA LYN 21 HA LYN 21 31.709 5.563 1.016
166 HB1 LYN 21 HB1 LYN 21 30.840 4.090 -0.661
167 HB2 LYN 21 HB2 LYN 21 30.296 5.709 -1.104
168 HG1 LYN 21 HG1 LYN 21 28.194 5.085 0.354
169 HG2 LYN 21 HG2 LYN 21 28.722 3.428 0.061
170 HD1 LYN 21 HD1 LYN 21 27.512 3.627 -1.860
171 HD2 LYN 21 HD2 LYN 21 28.921 4.509 -2.449
172 HE1 LYN 21 HE1 LYN 21 27.202 6.242 -0.879
173 HE2 LYN 21 HE2 LYN 21 26.298 5.494 -2.196
174 HZ1 LYN 21 HZ1 LYN 21 28.225 6.161 -3.654
175 HZ2 LYN 21 HZ2 LYN 21 28.756 7.134 -2.367
176 HZ3 LYN 21 HZ3 LYN 21 27.246 7.425 -3.090
177 H1 LYN 21 H1 LYN 21 30.872 7.048 3.012
178 H2 LYN 21 H2 LYN 21 29.811 8.290 2.551
Start of MODEL 8
1 1H HIS 1 HT1 HIS 1 2.439 4.165 2.850
2 2H HIS 1 HT2 HIS 1 1.604 2.698 2.655
3 3H HIS 1 HT3 HIS 1 0.781 4.176 2.492
4 HA HIS 1 HA HIS 1 1.181 3.248 0.322
5 1HB HIS 1 HB2 HIS 1 1.362 5.745 0.745
6 2HB HIS 1 HB1 HIS 1 3.111 5.531 0.812
7 HD1 HIS 1 HD1 HIS 1 2.858 7.187 -1.402
8 HD2 HIS 1 HD2 HIS 1 1.699 3.208 -1.849
9 HE1 HIS 1 HE1 HIS 1 2.811 6.730 -3.892
10 H SER 2 HN SER 2 4.407 4.331 1.406
11 HA SER 2 HA SER 2 6.509 3.350 1.096
12 1HB SER 2 HB2 SER 2 4.912 0.776 1.209
13 2HB SER 2 HB1 SER 2 6.647 0.934 1.463
14 HG SER 2 HG SER 2 6.296 1.867 3.369
15 H ASP 3 HN ASP 3 7.823 2.194 -0.557
16 HA ASP 3 HA ASP 3 6.656 0.991 -2.888
17 1HB ASP 3 HB2 ASP 3 5.971 3.502 -3.018
18 2HB ASP 3 HB1 ASP 3 7.656 3.768 -3.465
19 H GLY 4 HN GLY 4 8.663 -0.263 -1.998
20 1HA GLY 4 HA2 GLY 4 10.876 -0.955 -2.453
21 2HA GLY 4 HA1 GLY 4 10.931 0.267 -3.727
22 H ILE 5 HN ILE 5 12.218 2.005 -3.357
23 HA ILE 5 HA ILE 5 13.985 2.364 -1.290
24 HB ILE 5 HB ILE 5 14.171 3.871 -3.084
25 1HG1 ILE 5 HG12 ILE 5 14.450 4.841 -0.671
26 2HG1 ILE 5 HG11 ILE 5 14.409 5.958 -2.033
27 1HG2 ILE 5 HG21 ILE 5 11.266 4.427 -2.527
28 2HG2 ILE 5 HG22 ILE 5 12.017 3.872 -4.023
29 3HG2 ILE 5 HG23 ILE 5 12.238 5.539 -3.491
30 1HD1 ILE 5 HD11 ILE 5 11.731 5.368 -1.028
31 2HD1 ILE 5 HD12 ILE 5 12.508 6.928 -1.293
32 3HD1 ILE 5 HD13 ILE 5 12.768 6.059 0.219
33 H PHE 6 HN PHE 6 10.542 2.982 -1.150
34 HA PHE 6 HA PHE 6 10.880 4.027 1.622
35 1HB PHE 6 HB2 PHE 6 9.185 4.780 -0.542
36 2HB PHE 6 HB1 PHE 6 8.163 4.133 0.743
37 HD1 PHE 6 HD1 PHE 6 9.851 7.000 -0.418
38 HD2 PHE 6 HD2 PHE 6 8.817 4.915 3.188
39 HE1 PHE 6 HE1 PHE 6 10.156 9.095 0.875
40 HE2 PHE 6 HE2 PHE 6 9.119 7.008 4.486
41 HZ PHE 6 HZ PHE 6 9.790 9.099 3.330
42 H THR 7 HN THR 7 11.315 1.695 2.267
43 HA THR 7 HA THR 7 9.007 0.526 3.436
44 HB THR 7 HB THR 7 8.475 -0.061 1.078
45 HG1 THR 7 HG1 THR 7 7.878 -1.444 2.804
46 1HG2 THR 7 HG21 THR 7 10.404 -2.161 0.747
47 2HG2 THR 7 HG22 THR 7 11.248 -0.632 0.996
48 3HG2 THR 7 HG23 THR 7 10.077 -0.790 -0.313
49 H ASP 8 HN ASP 8 10.114 -2.272 2.995
50 HA ASP 8 HA ASP 8 12.301 -1.974 4.967
51 1HB ASP 8 HB2 ASP 8 10.515 -3.520 5.571
52 2HB ASP 8 HB1 ASP 8 10.737 -4.405 4.062
53 H SER 9 HN SER 9 11.671 -3.955 2.039
54 HA SER 9 HA SER 9 14.121 -5.070 1.547
55 1HB SER 9 HB2 SER 9 13.477 -3.882 -0.926
56 2HB SER 9 HB1 SER 9 13.066 -5.504 -0.386
57 HG SER 9 HG SER 9 11.512 -3.251 -0.591
58 H TYR 10 HN TYR 10 13.366 -1.843 0.172
59 HA TYR 10 HA TYR 10 15.906 -1.068 -0.579
60 1HB TYR 10 HB2 TYR 10 14.826 0.842 -1.007
61 2HB TYR 10 HB1 TYR 10 13.428 0.200 -0.165
62 HD1 TYR 10 HD1 TYR 10 12.965 0.810 2.171
63 HD2 TYR 10 HD2 TYR 10 16.354 2.418 0.078
64 HE1 TYR 10 HE1 TYR 10 13.236 2.530 3.935
65 HE2 TYR 10 HE2 TYR 10 16.626 4.137 1.844
66 HH TYR 10 HH TYR 10 15.982 4.775 3.903
67 H SER 11 HN SER 11 14.508 -0.579 2.670
68 HA SER 11 HA SER 11 16.690 0.617 3.924
69 1HB SER 11 HB2 SER 11 14.530 0.201 5.034
70 2HB SER 11 HB1 SER 11 14.862 -1.529 5.050
71 HG SER 11 HG SER 11 15.424 -0.063 6.970
72 H ARG 12 HN ARG 12 16.289 -2.724 2.943
73 HA ARG 12 HA ARG 12 18.795 -3.518 4.288
74 1HB ARG 12 HB2 ARG 12 18.242 -5.758 3.746
75 2HB ARG 12 HB1 ARG 12 16.704 -5.001 4.141
76 1HG ARG 12 HG2 ARG 12 15.914 -5.208 2.016
77 2HG ARG 12 HG1 ARG 12 17.471 -4.847 1.283
78 1HD ARG 12 HD2 ARG 12 16.535 -7.476 2.434
79 2HD ARG 12 HD1 ARG 12 17.030 -7.135 0.776
80 HE ARG 12 HE ARG 12 19.348 -6.655 1.887
81 1HH1 ARG 12 HH11 ARG 12 17.630 -7.874 4.343
82 2HH1 ARG 12 HH12 ARG 12 18.482 -9.374 4.505
83 1HH2 ARG 12 HH21 ARG 12 20.182 -9.039 1.502
84 2HH2 ARG 12 HH22 ARG 12 19.926 -10.033 2.897
85 H TYR 13 HN TYR 13 17.648 -2.709 1.073
86 HA TYR 13 HA TYR 13 20.179 -3.605 -0.147
87 1HB TYR 13 HB2 TYR 13 18.918 -3.833 -2.003
88 2HB TYR 13 HB1 TYR 13 17.521 -3.328 -1.071
89 HD1 TYR 13 HD1 TYR 13 20.517 -1.551 -2.534
90 HD2 TYR 13 HD2 TYR 13 16.238 -1.753 -2.192
91 HE1 TYR 13 HE1 TYR 13 20.307 0.464 -3.960
92 HE2 TYR 13 HE2 TYR 13 16.034 0.271 -3.603
93 HH TYR 13 HH TYR 13 17.115 1.725 -4.898
94 H ARG 14 HN ARG 14 18.403 -0.580 0.435
95 HA ARG 14 HA ARG 14 20.086 1.298 -0.726
96 1HB ARG 14 HB2 ARG 14 18.032 1.829 0.637
97 2HB ARG 14 HB1 ARG 14 18.989 1.557 2.095
98 1HG ARG 14 HG2 ARG 14 20.614 3.262 0.726
99 2HG ARG 14 HG1 ARG 14 19.026 3.833 0.214
100 1HD ARG 14 HD2 ARG 14 18.447 3.666 2.769
101 2HD ARG 14 HD1 ARG 14 20.197 3.729 2.979
102 HE ARG 14 HE ARG 14 19.738 5.853 1.311
103 1HH1 ARG 14 HH11 ARG 14 19.322 5.063 4.560
104 2HH1 ARG 14 HH12 ARG 14 18.444 6.498 4.973
105 1HH2 ARG 14 HH21 ARG 14 18.158 7.586 1.693
106 2HH2 ARG 14 HH22 ARG 14 17.785 7.926 3.350
107 H LYS 15 HN LYS 15 20.458 0.282 2.686
108 HA LYS 15 HA LYS 15 22.921 1.395 3.254
109 1HB LYS 15 HB2 LYS 15 21.648 -1.183 4.111
110 2HB LYS 15 HB1 LYS 15 23.324 -0.876 4.561
111 1HG LYS 15 HG2 LYS 15 21.716 -0.079 6.290
112 2HG LYS 15 HG1 LYS 15 22.698 1.227 5.627
113 1HD LYS 15 HD2 LYS 15 20.911 2.017 4.263
114 2HD LYS 15 HD1 LYS 15 19.966 0.550 4.526
115 1HE LYS 15 HE2 LYS 15 19.867 1.140 6.972
116 2HE LYS 15 HE1 LYS 15 20.626 2.682 6.575
117 1HZ LYS 15 HZ1 LYS 15 18.341 3.098 6.557
118 2HZ LYS 15 HZ2 LYS 15 17.985 1.665 5.717
119 3HZ LYS 15 HZ3 LYS 15 18.752 2.953 4.918
120 H GLN 16 HN GLN 16 22.456 -1.795 1.691
121 HA GLN 16 HA GLN 16 25.070 -2.615 1.354
122 1HB GLN 16 HB2 GLN 16 22.804 -2.707 -0.654
123 2HB GLN 16 HB1 GLN 16 24.344 -3.525 -0.909
124 1HG GLN 16 HG2 GLN 16 22.346 -4.018 1.311
125 2HG GLN 16 HG1 GLN 16 22.862 -5.147 0.058
126 1HE2 GLN 16 HE21 GLN 16 25.646 -4.861 0.114
127 2HE2 GLN 16 HE22 GLN 16 26.241 -5.319 1.636
128 H MET 17 HN MET 17 23.373 -0.373 -0.859
129 HA MET 17 HA MET 17 25.360 0.206 -2.684
130 1HB MET 17 HB2 MET 17 23.316 1.978 -1.375
131 2HB MET 17 HB1 MET 17 24.551 2.712 -2.392
132 1HG MET 17 HG2 MET 17 22.418 2.064 -3.604
133 2HG MET 17 HG1 MET 17 23.901 1.407 -4.293
134 1HE MET 17 HE1 MET 17 23.165 -0.698 -5.523
135 2HE MET 17 HE2 MET 17 21.650 0.189 -5.381
136 3HE MET 17 HE3 MET 17 21.681 -1.543 -5.064
137 H ALA 18 HN ALA 18 24.998 2.360 0.142
138 HA ALA 18 HA ALA 18 27.457 3.609 0.046
139 1HB ALA 18 HB1 ALA 18 27.339 3.706 2.576
140 2HB ALA 18 HB2 ALA 18 25.938 2.639 2.476
141 3HB ALA 18 HB3 ALA 18 25.878 4.244 1.747
142 H VAL 19 HN VAL 19 26.851 0.645 1.931
143 HA VAL 19 HA VAL 19 29.370 0.005 2.816
144 HB VAL 19 HB VAL 19 27.179 -1.723 1.694
145 1HG1 VAL 19 HG11 VAL 19 29.996 -2.566 2.332
146 2HG1 VAL 19 HG12 VAL 19 28.947 -3.102 1.019
147 3HG1 VAL 19 HG13 VAL 19 28.656 -3.664 2.665
148 1HG2 VAL 19 HG21 VAL 19 28.509 -1.867 4.399
149 2HG2 VAL 19 HG22 VAL 19 26.868 -2.334 3.953
150 3HG2 VAL 19 HG23 VAL 19 27.302 -0.627 4.054
151 H LYS 20 HN LYS 20 28.211 -0.894 -0.473
152 HA LYS 20 HA LYS 20 30.930 -1.589 -1.291
153 1HB LYS 20 HB2 LYS 20 28.520 -1.208 -3.082
154 2HB LYS 20 HB1 LYS 20 29.955 -2.184 -3.397
155 1HG LYS 20 HG2 LYS 20 29.346 -3.802 -1.769
156 2HG LYS 20 HG1 LYS 20 28.148 -2.733 -1.040
157 1HD LYS 20 HD2 LYS 20 27.946 -3.756 -3.883
158 2HD LYS 20 HD1 LYS 20 27.179 -4.554 -2.510
159 1HE LYS 20 HE2 LYS 20 26.159 -2.221 -1.999
160 2HE LYS 20 HE1 LYS 20 26.603 -1.829 -3.660
161 1HZ LYS 20 HZ1 LYS 20 25.310 -3.680 -4.442
162 2HZ LYS 20 HZ2 LYS 20 24.332 -2.695 -3.462
163 3HZ LYS 20 HZ3 LYS 20 24.947 -4.158 -2.855
164 HN LYN 21 HN LYN 21 31.043 -0.518 -3.875
165 HA LYN 21 HA LYN 21 30.704 2.396 -3.683
166 HB1 LYN 21 HB1 LYN 21 33.198 2.716 -4.209
167 HB2 LYN 21 HB2 LYN 21 33.416 1.058 -3.646
168 HG1 LYN 21 HG1 LYN 21 33.800 2.697 -1.825
169 HG2 LYN 21 HG2 LYN 21 32.421 1.654 -1.476
170 HD1 LYN 21 HD1 LYN 21 30.883 3.357 -1.794
171 HD2 LYN 21 HD2 LYN 21 31.918 4.219 -2.934
172 HE1 LYN 21 HE1 LYN 21 32.091 5.582 -1.050
173 HE2 LYN 21 HE2 LYN 21 33.476 4.513 -0.822
174 HZ1 LYN 21 HZ1 LYN 21 30.815 3.873 0.295
175 HZ2 LYN 21 HZ2 LYN 21 31.927 4.840 1.140
176 HZ3 LYN 21 HZ3 LYN 21 32.324 3.238 0.737
177 H1 LYN 21 H1 LYN 21 29.457 0.779 -5.537
178 H2 LYN 21 H2 LYN 21 30.182 0.940 -7.063
Start of MODEL 9
1 1H HIS 1 HT1 HIS 1 3.950 -6.591 -2.692
2 2H HIS 1 HT2 HIS 1 4.494 -8.146 -2.274
3 3H HIS 1 HT3 HIS 1 3.229 -7.957 -3.393
4 HA HIS 1 HA HIS 1 5.311 -8.510 -4.505
5 1HB HIS 1 HB2 HIS 1 3.547 -6.998 -5.535
6 2HB HIS 1 HB1 HIS 1 4.532 -5.628 -5.019
7 HD1 HIS 1 HD1 HIS 1 5.234 -4.913 -7.390
8 HD2 HIS 1 HD2 HIS 1 6.217 -8.867 -6.510
9 HE1 HIS 1 HE1 HIS 1 6.771 -5.698 -9.243
10 H SER 2 HN SER 2 7.497 -7.832 -5.016
11 HA SER 2 HA SER 2 8.723 -5.542 -3.772
12 1HB SER 2 HB2 SER 2 9.006 -8.225 -2.415
13 2HB SER 2 HB1 SER 2 10.213 -6.957 -2.230
14 HG SER 2 HG SER 2 8.549 -5.600 -1.456
15 H ASP 3 HN ASP 3 11.129 -5.576 -4.137
16 HA ASP 3 HA ASP 3 12.389 -7.680 -5.643
17 1HB ASP 3 HB2 ASP 3 10.636 -6.648 -7.261
18 2HB ASP 3 HB1 ASP 3 11.752 -5.286 -7.349
19 H GLY 4 HN GLY 4 13.820 -6.781 -3.760
20 1HA GLY 4 HA2 GLY 4 15.831 -5.654 -3.238
21 2HA GLY 4 HA1 GLY 4 15.866 -5.063 -4.903
22 H ILE 5 HN ILE 5 15.463 -2.929 -5.188
23 HA ILE 5 HA ILE 5 15.225 -0.983 -3.284
24 HB ILE 5 HB ILE 5 15.386 -0.210 -5.497
25 1HG1 ILE 5 HG12 ILE 5 12.525 0.280 -4.600
26 2HG1 ILE 5 HG11 ILE 5 13.929 1.277 -4.215
27 1HG2 ILE 5 HG21 ILE 5 13.120 -0.823 -6.916
28 2HG2 ILE 5 HG22 ILE 5 13.345 -2.280 -5.947
29 3HG2 ILE 5 HG23 ILE 5 14.637 -1.719 -7.009
30 1HD1 ILE 5 HD11 ILE 5 14.219 1.478 -6.788
31 2HD1 ILE 5 HD12 ILE 5 12.936 2.415 -6.023
32 3HD1 ILE 5 HD13 ILE 5 12.548 0.918 -6.870
33 H PHE 6 HN PHE 6 12.652 -3.146 -4.292
34 HA PHE 6 HA PHE 6 10.814 -1.746 -2.402
35 1HB PHE 6 HB2 PHE 6 10.443 -3.156 -4.950
36 2HB PHE 6 HB1 PHE 6 9.291 -3.636 -3.701
37 HD1 PHE 6 HD1 PHE 6 10.729 -0.708 -5.484
38 HD2 PHE 6 HD2 PHE 6 7.557 -2.179 -2.992
39 HE1 PHE 6 HE1 PHE 6 9.485 1.413 -5.819
40 HE2 PHE 6 HE2 PHE 6 6.309 -0.059 -3.326
41 HZ PHE 6 HZ PHE 6 7.274 1.738 -4.739
42 H THR 7 HN THR 7 12.102 -2.851 -0.628
43 HA THR 7 HA THR 7 10.692 -5.112 0.351
44 HB THR 7 HB THR 7 11.967 -6.299 -1.425
45 HG1 THR 7 HG1 THR 7 11.570 -7.028 0.932
46 1HG2 THR 7 HG21 THR 7 14.107 -5.760 -1.811
47 2HG2 THR 7 HG22 THR 7 14.535 -6.366 -0.211
48 3HG2 THR 7 HG23 THR 7 14.095 -4.671 -0.424
49 H ASP 8 HN ASP 8 13.339 -6.102 1.638
50 HA ASP 8 HA ASP 8 13.349 -3.940 3.668
51 1HB ASP 8 HB2 ASP 8 12.859 -6.139 4.552
52 2HB ASP 8 HB1 ASP 8 14.295 -6.812 3.780
53 H SER 9 HN SER 9 15.778 -6.176 2.263
54 HA SER 9 HA SER 9 18.121 -5.003 3.039
55 1HB SER 9 HB2 SER 9 18.848 -5.415 0.516
56 2HB SER 9 HB1 SER 9 18.537 -6.752 1.614
57 HG SER 9 HG SER 9 17.329 -6.224 -0.657
58 H TYR 10 HN TYR 10 16.590 -3.977 -0.048
59 HA TYR 10 HA TYR 10 18.108 -1.747 -0.585
60 1HB TYR 10 HB2 TYR 10 16.558 -1.481 -2.186
61 2HB TYR 10 HB1 TYR 10 15.625 -2.752 -1.425
62 HD1 TYR 10 HD1 TYR 10 15.908 0.841 -2.011
63 HD2 TYR 10 HD2 TYR 10 13.840 -2.184 0.230
64 HE1 TYR 10 HE1 TYR 10 14.132 2.473 -1.442
65 HE2 TYR 10 HE2 TYR 10 12.065 -0.553 0.800
66 HH TYR 10 HH TYR 10 12.407 2.714 0.486
67 H SER 11 HN SER 11 15.296 -1.799 1.613
68 HA SER 11 HA SER 11 15.365 0.915 2.364
69 1HB SER 11 HB2 SER 11 13.559 -0.494 3.074
70 2HB SER 11 HB1 SER 11 14.651 -1.558 3.958
71 HG SER 11 HG SER 11 13.420 0.232 5.109
72 H ARG 12 HN ARG 12 16.936 -1.828 4.076
73 HA ARG 12 HA ARG 12 18.519 -0.113 5.763
74 1HB ARG 12 HB2 ARG 12 19.648 -2.091 6.442
75 2HB ARG 12 HB1 ARG 12 18.025 -2.645 6.041
76 1HG ARG 12 HG2 ARG 12 18.737 -3.537 3.955
77 2HG ARG 12 HG1 ARG 12 20.287 -2.704 4.032
78 1HD ARG 12 HD2 ARG 12 20.431 -5.142 4.607
79 2HD ARG 12 HD1 ARG 12 20.997 -4.080 5.896
80 HE ARG 12 HE ARG 12 18.385 -4.436 6.591
81 1HH1 ARG 12 HH21 ARG 12 20.990 -5.979 7.542
82 2HH1 ARG 12 HH22 ARG 12 20.347 -7.587 7.588
83 1HH2 ARG 12 HH11 ARG 12 17.488 -6.781 5.801
84 2HH2 ARG 12 HH12 ARG 12 18.365 -8.041 6.603
85 H TYR 13 HN TYR 13 18.755 -1.194 2.501
86 HA TYR 13 HA TYR 13 21.587 -0.413 2.222
87 1HB TYR 13 HB2 TYR 13 21.341 -2.158 0.768
88 2HB TYR 13 HB1 TYR 13 19.595 -1.965 0.691
89 HD1 TYR 13 HD1 TYR 13 22.688 -1.499 -1.023
90 HD2 TYR 13 HD2 TYR 13 18.684 0.019 -0.725
91 HE1 TYR 13 HE1 TYR 13 22.917 -0.458 -3.260
92 HE2 TYR 13 HE2 TYR 13 18.910 1.063 -2.960
93 HH TYR 13 HH TYR 13 20.912 0.269 -5.163
94 H ARG 14 HN ARG 14 18.828 1.233 2.555
95 HA ARG 14 HA ARG 14 19.438 3.262 0.455
96 1HB ARG 14 HB2 ARG 14 16.956 2.724 2.114
97 2HB ARG 14 HB1 ARG 14 17.158 4.186 1.156
98 1HG ARG 14 HG2 ARG 14 17.853 1.909 -0.454
99 2HG ARG 14 HG1 ARG 14 16.262 1.653 0.262
100 1HD ARG 14 HD2 ARG 14 15.989 2.834 -1.851
101 2HD ARG 14 HD1 ARG 14 15.591 3.931 -0.528
102 HE ARG 14 HE ARG 14 18.379 4.059 -1.466
103 1HH1 ARG 14 HH11 ARG 14 15.868 5.885 -0.372
104 2HH1 ARG 14 HH12 ARG 14 15.999 7.147 -1.550
105 1HH2 ARG 14 HH21 ARG 14 18.253 5.418 -3.540
106 2HH2 ARG 14 HH22 ARG 14 17.349 6.883 -3.344
107 H LYS 15 HN LYS 15 18.009 3.486 3.722
108 HA LYS 15 HA LYS 15 18.913 6.010 4.419
109 1HB LYS 15 HB2 LYS 15 19.155 3.806 6.453
110 2HB LYS 15 HB1 LYS 15 18.535 5.440 6.661
111 1HG LYS 15 HG2 LYS 15 17.178 3.076 5.366
112 2HG LYS 15 HG1 LYS 15 16.602 4.073 6.701
113 1HD LYS 15 HD2 LYS 15 16.873 5.971 4.783
114 2HD LYS 15 HD1 LYS 15 16.483 4.574 3.780
115 1HE LYS 15 HE2 LYS 15 14.351 4.441 4.570
116 2HE LYS 15 HE1 LYS 15 14.832 4.856 6.215
117 1HZ LYS 15 HZ1 LYS 15 13.683 6.719 5.587
118 2HZ LYS 15 HZ2 LYS 15 14.178 6.628 3.964
119 3HZ LYS 15 HZ3 LYS 15 15.260 7.172 5.157
120 H GLN 16 HN GLN 16 20.675 3.000 5.236
121 HA GLN 16 HA GLN 16 23.038 4.054 6.212
122 1HB GLN 16 HB2 GLN 16 24.169 2.053 5.472
123 2HB GLN 16 HB1 GLN 16 22.521 1.596 5.900
124 1HG GLN 16 HG2 GLN 16 21.859 1.662 3.545
125 2HG GLN 16 HG1 GLN 16 23.468 2.220 3.086
126 1HE2 GLN 16 HE21 GLN 16 22.809 -0.270 5.560
127 2HE2 GLN 16 HE22 GLN 16 23.544 -1.541 4.708
128 H MET 17 HN MET 17 22.052 3.867 2.818
129 HA MET 17 HA MET 17 24.348 4.463 1.427
130 1HB MET 17 HB2 MET 17 22.127 4.316 0.358
131 2HB MET 17 HB1 MET 17 21.693 5.879 1.051
132 1HG MET 17 HG2 MET 17 22.941 7.035 -0.462
133 2HG MET 17 HG1 MET 17 24.245 5.848 -0.437
134 1HE MET 17 HE1 MET 17 22.755 2.999 -1.325
135 2HE MET 17 HE2 MET 17 24.329 3.785 -1.409
136 3HE MET 17 HE3 MET 17 23.537 3.255 -2.890
137 H ALA 18 HN ALA 18 22.249 7.157 2.493
138 HA ALA 18 HA ALA 18 23.977 9.257 2.127
139 1HB ALA 18 HB1 ALA 18 21.825 8.698 4.076
140 2HB ALA 18 HB2 ALA 18 22.043 10.085 3.008
141 3HB ALA 18 HB3 ALA 18 22.934 9.994 4.527
142 H VAL 19 HN VAL 19 23.825 7.388 5.156
143 HA VAL 19 HA VAL 19 25.888 8.517 6.595
144 HB VAL 19 HB VAL 19 25.044 5.648 6.272
145 1HG1 VAL 19 HG11 VAL 19 27.468 5.513 6.625
146 2HG1 VAL 19 HG12 VAL 19 26.621 5.032 8.095
147 3HG1 VAL 19 HG13 VAL 19 27.350 6.634 7.982
148 1HG2 VAL 19 HG21 VAL 19 24.143 5.946 8.434
149 2HG2 VAL 19 HG22 VAL 19 23.864 7.507 7.664
150 3HG2 VAL 19 HG23 VAL 19 25.207 7.306 8.788
151 H LYS 20 HN LYS 20 26.423 5.921 4.151
152 HA LYS 20 HA LYS 20 29.310 6.373 4.237
153 1HB LYS 20 HB2 LYS 20 27.802 4.775 2.161
154 2HB LYS 20 HB1 LYS 20 29.469 4.562 2.699
155 1HG LYS 20 HG2 LYS 20 28.835 3.581 4.719
156 2HG LYS 20 HG1 LYS 20 27.234 4.319 4.690
157 1HD LYS 20 HD2 LYS 20 28.105 2.254 2.659
158 2HD LYS 20 HD1 LYS 20 27.309 1.820 4.172
159 1HE LYS 20 HE2 LYS 20 25.305 2.876 3.573
160 2HE LYS 20 HE1 LYS 20 26.094 3.909 2.381
161 1HZ LYS 20 HZ1 LYS 20 25.458 2.421 0.882
162 2HZ LYS 20 HZ2 LYS 20 24.994 1.296 2.067
163 3HZ LYS 20 HZ3 LYS 20 26.607 1.360 1.537
164 HN LYN 21 HN LYN 21 27.036 8.311 3.052
165 HA LYN 21 HA LYN 21 28.283 8.777 0.402
166 HB1 LYN 21 HB1 LYN 21 26.156 10.594 1.403
167 HB2 LYN 21 HB2 LYN 21 25.685 8.912 1.154
168 HG1 LYN 21 HG1 LYN 21 27.317 10.143 -1.002
169 HG2 LYN 21 HG2 LYN 21 25.674 10.762 -0.828
170 HD1 LYN 21 HD1 LYN 21 25.183 8.108 -0.634
171 HD2 LYN 21 HD2 LYN 21 26.613 8.067 -1.666
172 HE1 LYN 21 HE1 LYN 21 25.137 10.120 -2.774
173 HE2 LYN 21 HE2 LYN 21 23.885 8.982 -2.274
174 HZ1 LYN 21 HZ1 LYN 21 25.226 8.786 -4.563
175 HZ2 LYN 21 HZ2 LYN 21 24.557 7.451 -3.753
176 HZ3 LYN 21 HZ3 LYN 21 26.205 7.820 -3.571
177 H1 LYN 21 H1 LYN 21 30.140 9.337 2.375
178 H2 LYN 21 H2 LYN 21 30.324 11.013 2.566
Start of MODEL 10
1 1H HIS 1 HT1 HIS 1 6.877 -0.948 0.772
2 2H HIS 1 HT2 HIS 1 6.095 -1.493 2.177
3 3H HIS 1 HT3 HIS 1 5.712 0.027 1.524
4 HA HIS 1 HA HIS 1 5.144 -2.625 0.322
5 1HB HIS 1 HB2 HIS 1 2.779 -1.742 0.494
6 2HB HIS 1 HB1 HIS 1 3.553 -2.064 2.046
7 HD1 HIS 1 HD1 HIS 1 4.197 -0.029 3.513
8 HD2 HIS 1 HD2 HIS 1 2.376 1.026 -0.085
9 HE1 HIS 1 HE1 HIS 1 3.621 2.430 3.697
10 H SER 2 HN SER 2 5.445 0.853 -0.134
11 HA SER 2 HA SER 2 5.718 0.581 -2.989
12 1HB SER 2 HB2 SER 2 3.062 1.456 -1.883
13 2HB SER 2 HB1 SER 2 3.615 1.979 -3.470
14 HG SER 2 HG SER 2 3.777 -0.198 -4.069
15 H ASP 3 HN ASP 3 6.798 2.035 -0.538
16 HA ASP 3 HA ASP 3 6.616 4.776 -1.716
17 1HB ASP 3 HB2 ASP 3 7.194 4.238 1.186
18 2HB ASP 3 HB1 ASP 3 6.646 5.720 0.422
19 H GLY 4 HN GLY 4 8.540 3.187 -2.741
20 1HA GLY 4 HA2 GLY 4 10.900 2.928 -2.936
21 2HA GLY 4 HA1 GLY 4 10.950 4.591 -2.337
22 H ILE 5 HN ILE 5 11.495 4.962 -0.172
23 HA ILE 5 HA ILE 5 13.107 3.249 1.264
24 HB ILE 5 HB ILE 5 12.856 5.423 2.143
25 1HG1 ILE 5 HG12 ILE 5 12.874 3.429 3.834
26 2HG1 ILE 5 HG11 ILE 5 12.511 5.045 4.436
27 1HG2 ILE 5 HG21 ILE 5 10.461 6.003 3.100
28 2HG2 ILE 5 HG22 ILE 5 9.939 4.804 1.915
29 3HG2 ILE 5 HG23 ILE 5 10.828 6.235 1.390
30 1HD1 ILE 5 HD11 ILE 5 10.108 3.681 3.498
31 2HD1 ILE 5 HD12 ILE 5 10.428 4.436 5.059
32 3HD1 ILE 5 HD13 ILE 5 10.927 2.770 4.767
33 H PHE 6 HN PHE 6 9.628 3.036 0.942
34 HA PHE 6 HA PHE 6 9.637 0.682 2.775
35 1HB PHE 6 HB2 PHE 6 7.829 2.863 2.444
36 2HB PHE 6 HB1 PHE 6 7.000 1.392 1.933
37 HD1 PHE 6 HD1 PHE 6 7.824 -0.725 3.538
38 HD2 PHE 6 HD2 PHE 6 7.455 3.402 4.653
39 HE1 PHE 6 HE1 PHE 6 7.558 -1.392 5.916
40 HE2 PHE 6 HE2 PHE 6 7.186 2.742 7.032
41 HZ PHE 6 HZ PHE 6 7.238 0.341 7.663
42 H THR 7 HN THR 7 10.660 -0.533 0.897
43 HA THR 7 HA THR 7 8.724 -2.088 -0.465
44 HB THR 7 HB THR 7 8.343 -0.068 -1.807
45 HG1 THR 7 HG1 THR 7 8.555 -1.073 -3.745
46 1HG2 THR 7 HG21 THR 7 10.726 0.090 -3.318
47 2HG2 THR 7 HG22 THR 7 11.206 0.107 -1.621
48 3HG2 THR 7 HG23 THR 7 10.064 1.307 -2.226
49 H ASP 8 HN ASP 8 10.607 -2.248 -2.912
50 HA ASP 8 HA ASP 8 12.563 -3.999 -1.534
51 1HB ASP 8 HB2 ASP 8 11.312 -5.123 -3.254
52 2HB ASP 8 HB1 ASP 8 11.651 -3.837 -4.413
53 H SER 9 HN SER 9 12.594 -1.762 -4.348
54 HA SER 9 HA SER 9 15.270 -1.471 -4.811
55 1HB SER 9 HB2 SER 9 14.668 1.140 -4.860
56 2HB SER 9 HB1 SER 9 14.143 0.021 -6.111
57 HG SER 9 HG SER 9 12.699 1.326 -4.161
58 H TYR 10 HN TYR 10 13.658 0.674 -2.418
59 HA TYR 10 HA TYR 10 15.905 1.776 -1.244
60 1HB TYR 10 HB2 TYR 10 14.338 2.627 0.121
61 2HB TYR 10 HB1 TYR 10 13.172 1.541 -0.605
62 HD1 TYR 10 HD1 TYR 10 12.477 -0.504 0.509
63 HD2 TYR 10 HD2 TYR 10 15.464 2.046 2.247
64 HE1 TYR 10 HE1 TYR 10 12.268 -1.726 2.656
65 HE2 TYR 10 HE2 TYR 10 15.256 0.824 4.394
66 HH TYR 10 HH TYR 10 12.969 -1.893 4.749
67 H SER 11 HN SER 11 14.366 -1.284 -0.248
68 HA SER 11 HA SER 11 16.132 -2.073 1.753
69 1HB SER 11 HB2 SER 11 14.161 -3.381 1.168
70 2HB SER 11 HB1 SER 11 14.842 -3.765 -0.410
71 HG SER 11 HG SER 11 15.116 -5.402 1.272
72 H ARG 12 HN ARG 12 16.488 -2.666 -1.755
73 HA ARG 12 HA ARG 12 19.189 -3.711 -1.443
74 1HB ARG 12 HB2 ARG 12 19.206 -3.913 -3.813
75 2HB ARG 12 HB1 ARG 12 17.530 -4.211 -3.361
76 1HG ARG 12 HG2 ARG 12 16.830 -2.094 -4.102
77 2HG ARG 12 HG1 ARG 12 18.463 -1.437 -4.100
78 1HD ARG 12 HD2 ARG 12 17.375 -3.545 -5.985
79 2HD ARG 12 HD1 ARG 12 17.779 -1.878 -6.397
80 HE ARG 12 HE ARG 12 20.167 -2.713 -5.491
81 1HH1 ARG 12 HH11 ARG 12 19.046 -2.894 -8.441
82 2HH1 ARG 12 HH12 ARG 12 19.664 -4.453 -8.875
83 1HH2 ARG 12 HH21 ARG 12 20.449 -5.342 -5.616
84 2HH2 ARG 12 HH22 ARG 12 20.458 -5.839 -7.276
85 H TYR 13 HN TYR 13 17.719 -0.611 -1.791
86 HA TYR 13 HA TYR 13 20.222 0.710 -2.607
87 1HB TYR 13 HB2 TYR 13 18.665 2.045 -3.561
88 2HB TYR 13 HB1 TYR 13 17.374 1.334 -2.603
89 HD1 TYR 13 HD1 TYR 13 19.213 4.280 -3.232
90 HD2 TYR 13 HD2 TYR 13 17.315 2.098 -0.056
91 HE1 TYR 13 HE1 TYR 13 19.087 6.355 -1.883
92 HE2 TYR 13 HE2 TYR 13 17.190 4.171 1.294
93 HH TYR 13 HH TYR 13 18.586 6.424 1.338
94 H ARG 14 HN ARG 14 19.033 -0.476 0.247
95 HA ARG 14 HA ARG 14 19.992 1.764 1.928
96 1HB ARG 14 HB2 ARG 14 17.910 0.197 2.370
97 2HB ARG 14 HB1 ARG 14 19.129 -0.890 3.036
98 1HG ARG 14 HG2 ARG 14 19.919 1.380 4.228
99 2HG ARG 14 HG1 ARG 14 18.208 1.762 4.033
100 1HD ARG 14 HD2 ARG 14 17.624 0.338 5.679
101 2HD ARG 14 HD1 ARG 14 18.573 -0.966 4.966
102 HE ARG 14 HE ARG 14 20.517 0.566 6.115
103 1HH1 ARG 14 HH21 ARG 14 17.545 0.830 7.545
104 2HH1 ARG 14 HH22 ARG 14 17.982 0.095 9.051
105 1HH2 ARG 14 HH11 ARG 14 21.067 -1.012 7.921
106 2HH2 ARG 14 HH12 ARG 14 19.976 -0.947 9.264
107 H LYS 15 HN LYS 15 20.529 -1.765 2.172
108 HA LYS 15 HA LYS 15 22.912 -1.768 3.559
109 1HB LYS 15 HB2 LYS 15 21.968 -3.527 1.298
110 2HB LYS 15 HB1 LYS 15 23.518 -3.816 2.088
111 1HG LYS 15 HG2 LYS 15 22.139 -5.128 3.411
112 2HG LYS 15 HG1 LYS 15 22.053 -3.601 4.291
113 1HD LYS 15 HD2 LYS 15 19.877 -3.251 3.726
114 2HD LYS 15 HD1 LYS 15 20.105 -3.863 2.087
115 1HE LYS 15 HE2 LYS 15 18.684 -5.454 3.129
116 2HE LYS 15 HE1 LYS 15 20.285 -6.192 3.164
117 1HZ LYS 15 HZ1 LYS 15 19.079 -6.313 5.303
118 2HZ LYS 15 HZ2 LYS 15 19.128 -4.617 5.398
119 3HZ LYS 15 HZ3 LYS 15 20.571 -5.515 5.418
120 H GLN 16 HN GLN 16 22.518 -1.108 0.088
121 HA GLN 16 HA GLN 16 25.111 -1.131 -0.856
122 1HB GLN 16 HB2 GLN 16 22.930 0.915 -1.323
123 2HB GLN 16 HB1 GLN 16 24.473 0.984 -2.171
124 1HG GLN 16 HG2 GLN 16 24.105 -1.071 -3.269
125 2HG GLN 16 HG1 GLN 16 22.843 -1.553 -2.135
126 1HE2 GLN 16 HE21 GLN 16 21.607 -1.854 -4.302
127 2HE2 GLN 16 HE22 GLN 16 20.797 -0.496 -4.920
128 H MET 17 HN MET 17 23.646 1.458 1.113
129 HA MET 17 HA MET 17 25.679 3.335 1.165
130 1HB MET 17 HB2 MET 17 24.105 2.322 3.552
131 2HB MET 17 HB1 MET 17 24.999 3.842 3.499
132 1HG MET 17 HG2 MET 17 22.779 3.125 1.565
133 2HG MET 17 HG1 MET 17 22.542 4.097 3.018
134 1HE MET 17 HE1 MET 17 22.430 6.416 -0.230
135 2HE MET 17 HE2 MET 17 21.473 5.721 1.076
136 3HE MET 17 HE3 MET 17 22.097 4.679 -0.200
137 H ALA 18 HN ALA 18 25.491 1.022 3.867
138 HA ALA 18 HA ALA 18 28.087 1.248 4.784
139 1HB ALA 18 HB1 ALA 18 26.593 -1.374 4.520
140 2HB ALA 18 HB2 ALA 18 26.339 -0.203 5.814
141 3HB ALA 18 HB3 ALA 18 27.892 -1.024 5.659
142 H VAL 19 HN VAL 19 27.056 -1.199 2.407
143 HA VAL 19 HA VAL 19 29.446 -2.352 1.697
144 HB VAL 19 HB VAL 19 27.097 -1.499 0.022
145 1HG1 VAL 19 HG11 VAL 19 29.780 -2.396 -0.962
146 2HG1 VAL 19 HG12 VAL 19 28.631 -1.281 -1.702
147 3HG1 VAL 19 HG13 VAL 19 28.341 -3.019 -1.769
148 1HG2 VAL 19 HG21 VAL 19 28.303 -4.248 0.353
149 2HG2 VAL 19 HG22 VAL 19 26.639 -3.819 -0.042
150 3HG2 VAL 19 HG23 VAL 19 27.251 -3.564 1.592
151 H LYS 20 HN LYS 20 28.292 0.735 0.246
152 HA LYS 20 HA LYS 20 30.884 1.226 -0.985
153 1HB LYS 20 HB2 LYS 20 28.688 3.256 -0.534
154 2HB LYS 20 HB1 LYS 20 29.920 3.254 -1.797
155 1HG LYS 20 HG2 LYS 20 28.936 1.283 -2.826
156 2HG LYS 20 HG1 LYS 20 27.774 1.133 -1.507
157 1HD LYS 20 HD2 LYS 20 27.928 3.674 -3.113
158 2HD LYS 20 HD1 LYS 20 27.006 2.295 -3.711
159 1HE LYS 20 HE2 LYS 20 25.762 2.247 -1.539
160 2HE LYS 20 HE1 LYS 20 26.612 3.717 -1.063
161 1HZ LYS 20 HZ1 LYS 20 24.840 4.689 -2.019
162 2HZ LYS 20 HZ2 LYS 20 24.478 3.349 -2.999
163 3HZ LYS 20 HZ3 LYS 20 25.708 4.430 -3.453
164 HN LYN 21 HN LYN 21 31.309 3.939 -0.441
165 HA LYN 21 HA LYN 21 31.291 4.707 2.277
166 HB1 LYN 21 HB1 LYN 21 34.062 3.792 1.779
167 HB2 LYN 21 HB2 LYN 21 32.884 2.509 2.056
168 HG1 LYN 21 HG1 LYN 21 32.677 4.820 3.892
169 HG2 LYN 21 HG2 LYN 21 34.155 3.870 4.054
170 HD1 LYN 21 HD1 LYN 21 32.348 1.866 3.884
171 HD2 LYN 21 HD2 LYN 21 31.334 3.110 4.617
172 HE1 LYN 21 HE1 LYN 21 32.268 2.549 6.595
173 HE2 LYN 21 HE2 LYN 21 33.761 3.276 6.002
174 HZ1 LYN 21 HZ1 LYN 21 34.630 1.262 5.432
175 HZ2 LYN 21 HZ2 LYN 21 33.114 0.534 5.193
176 HZ3 LYN 21 HZ3 LYN 21 33.696 0.796 6.768
177 H1 LYN 21 H1 LYN 21 33.443 6.272 2.626
178 H2 LYN 21 H2 LYN 21 33.757 7.258 1.280
Start of MODEL 11
1 1H HIS 1 HT1 HIS 1 1.828 3.215 1.453
2 2H HIS 1 HT2 HIS 1 0.729 4.474 1.145
3 3H HIS 1 HT3 HIS 1 2.236 4.812 1.853
4 HA HIS 1 HA HIS 1 1.761 3.831 -0.909
5 1HB HIS 1 HB2 HIS 1 1.306 6.276 -0.374
6 2HB HIS 1 HB1 HIS 1 3.015 6.419 0.040
7 HD1 HIS 1 HD1 HIS 1 3.709 7.865 -1.956
8 HD2 HIS 1 HD2 HIS 1 1.805 4.335 -3.093
9 HE1 HIS 1 HE1 HIS 1 4.014 7.661 -4.462
10 H SER 2 HN SER 2 3.642 3.240 -2.044
11 HA SER 2 HA SER 2 6.285 3.575 -0.859
12 1HB SER 2 HB2 SER 2 4.860 0.926 -0.763
13 2HB SER 2 HB1 SER 2 6.614 0.987 -0.905
14 HG SER 2 HG SER 2 5.429 1.036 1.291
15 H ASP 3 HN ASP 3 7.975 2.604 -2.316
16 HA ASP 3 HA ASP 3 7.273 1.478 -4.873
17 1HB ASP 3 HB2 ASP 3 6.440 3.925 -4.979
18 2HB ASP 3 HB1 ASP 3 8.148 4.352 -5.065
19 H GLY 4 HN GLY 4 9.189 0.282 -3.727
20 1HA GLY 4 HA2 GLY 4 11.482 -0.267 -3.920
21 2HA GLY 4 HA1 GLY 4 11.669 1.107 -5.014
22 H ILE 5 HN ILE 5 12.738 2.855 -4.227
23 HA ILE 5 HA ILE 5 14.142 3.027 -1.881
24 HB ILE 5 HB ILE 5 14.479 4.786 -3.410
25 1HG1 ILE 5 HG12 ILE 5 12.907 5.901 -1.063
26 2HG1 ILE 5 HG11 ILE 5 14.649 5.638 -1.133
27 1HG2 ILE 5 HG21 ILE 5 11.490 5.184 -3.217
28 2HG2 ILE 5 HG22 ILE 5 12.431 4.715 -4.633
29 3HG2 ILE 5 HG23 ILE 5 12.561 6.353 -3.991
30 1HD1 ILE 5 HD11 ILE 5 14.355 7.958 -1.574
31 2HD1 ILE 5 HD12 ILE 5 13.007 7.655 -2.670
32 3HD1 ILE 5 HD13 ILE 5 14.648 7.223 -3.150
33 H PHE 6 HN PHE 6 10.675 3.440 -2.196
34 HA PHE 6 HA PHE 6 10.553 4.068 0.722
35 1HB PHE 6 HB2 PHE 6 8.965 4.893 -1.609
36 2HB PHE 6 HB1 PHE 6 7.990 4.376 -0.231
37 HD1 PHE 6 HD1 PHE 6 10.413 6.832 -1.471
38 HD2 PHE 6 HD2 PHE 6 8.155 5.517 1.936
39 HE1 PHE 6 HE1 PHE 6 10.895 8.981 -0.325
40 HE2 PHE 6 HE2 PHE 6 8.635 7.665 3.085
41 HZ PHE 6 HZ PHE 6 10.006 9.396 1.954
42 H THR 7 HN THR 7 10.992 1.680 1.062
43 HA THR 7 HA THR 7 8.590 0.289 1.658
44 HB THR 7 HB THR 7 8.470 0.044 -0.811
45 HG1 THR 7 HG1 THR 7 7.586 -1.606 0.348
46 1HG2 THR 7 HG21 THR 7 10.547 -1.917 -1.117
47 2HG2 THR 7 HG22 THR 7 11.248 -0.410 -0.527
48 3HG2 THR 7 HG23 THR 7 10.303 -0.420 -2.017
49 H ASP 8 HN ASP 8 10.025 -2.362 0.925
50 HA ASP 8 HA ASP 8 11.781 -2.280 3.314
51 1HB ASP 8 HB2 ASP 8 10.110 -3.993 3.451
52 2HB ASP 8 HB1 ASP 8 10.470 -4.557 1.819
53 H SER 9 HN SER 9 11.827 -3.919 0.118
54 HA SER 9 HA SER 9 14.413 -4.774 -0.044
55 1HB SER 9 HB2 SER 9 14.316 -3.695 -2.486
56 2HB SER 9 HB1 SER 9 13.382 -5.119 -2.049
57 HG SER 9 HG SER 9 12.404 -2.962 -2.994
58 H TYR 10 HN TYR 10 13.590 -1.448 -1.140
59 HA TYR 10 HA TYR 10 16.149 -0.438 -1.411
60 1HB TYR 10 HB2 TYR 10 14.989 1.456 -1.754
61 2HB TYR 10 HB1 TYR 10 13.546 0.626 -1.207
62 HD1 TYR 10 HD1 TYR 10 16.270 2.918 -0.240
63 HD2 TYR 10 HD2 TYR 10 12.699 0.918 1.067
64 HE1 TYR 10 HE1 TYR 10 16.172 4.390 1.752
65 HE2 TYR 10 HE2 TYR 10 12.601 2.391 3.058
66 HH TYR 10 HH TYR 10 15.227 4.509 3.905
67 H SER 11 HN SER 11 14.262 -0.455 1.619
68 HA SER 11 HA SER 11 16.148 0.662 3.342
69 1HB SER 11 HB2 SER 11 13.892 0.031 4.061
70 2HB SER 11 HB1 SER 11 14.286 -1.676 3.866
71 HG SER 11 HG SER 11 14.484 -0.676 6.054
72 H ARG 12 HN ARG 12 15.841 -2.788 2.455
73 HA ARG 12 HA ARG 12 18.329 -3.498 3.790
74 1HB ARG 12 HB2 ARG 12 17.944 -5.701 2.973
75 2HB ARG 12 HB1 ARG 12 16.334 -5.056 3.275
76 1HG ARG 12 HG2 ARG 12 15.917 -4.710 0.983
77 2HG ARG 12 HG1 ARG 12 17.619 -4.835 0.551
78 1HD ARG 12 HD2 ARG 12 16.799 -7.240 1.901
79 2HD ARG 12 HD1 ARG 12 15.690 -6.908 0.571
80 HE ARG 12 HE ARG 12 18.653 -7.018 0.166
81 1HH1 ARG 12 HH21 ARG 12 15.741 -6.644 -1.412
82 2HH1 ARG 12 HH22 ARG 12 15.993 -7.904 -2.573
83 1HH2 ARG 12 HH11 ARG 12 18.845 -9.124 -1.023
84 2HH2 ARG 12 HH12 ARG 12 17.750 -9.309 -2.352
85 H TYR 13 HN TYR 13 17.404 -2.270 0.703
86 HA TYR 13 HA TYR 13 19.947 -3.023 -0.581
87 1HB TYR 13 HB2 TYR 13 18.524 -3.022 -2.341
88 2HB TYR 13 HB1 TYR 13 17.294 -2.159 -1.429
89 HD1 TYR 13 HD1 TYR 13 17.768 0.429 -1.067
90 HD2 TYR 13 HD2 TYR 13 19.525 -1.976 -4.161
91 HE1 TYR 13 HE1 TYR 13 18.237 2.472 -2.388
92 HE2 TYR 13 HE2 TYR 13 19.997 0.067 -5.482
93 HH TYR 13 HH TYR 13 18.671 2.684 -5.354
94 H ARG 14 HN ARG 14 19.007 -0.673 1.560
95 HA ARG 14 HA ARG 14 20.614 1.495 0.340
96 1HB ARG 14 HB2 ARG 14 18.363 1.723 1.721
97 2HB ARG 14 HB1 ARG 14 19.457 1.662 3.103
98 1HG ARG 14 HG2 ARG 14 20.800 3.431 1.584
99 2HG ARG 14 HG1 ARG 14 19.164 3.758 1.011
100 1HD ARG 14 HD2 ARG 14 18.395 4.262 3.226
101 2HD ARG 14 HD1 ARG 14 19.882 3.649 3.949
102 HE ARG 14 HE ARG 14 20.774 5.792 3.610
103 1HH1 ARG 14 HH11 ARG 14 17.841 5.566 1.928
104 2HH1 ARG 14 HH12 ARG 14 18.177 6.873 0.842
105 1HH2 ARG 14 HH21 ARG 14 21.447 7.279 1.921
106 2HH2 ARG 14 HH22 ARG 14 20.219 7.843 0.838
107 H LYS 15 HN LYS 15 20.500 0.221 3.682
108 HA LYS 15 HA LYS 15 23.018 0.947 4.537
109 1HB LYS 15 HB2 LYS 15 21.491 -1.613 5.045
110 2HB LYS 15 HB1 LYS 15 23.007 -1.244 5.869
111 1HG LYS 15 HG2 LYS 15 21.537 -0.308 7.380
112 2HG LYS 15 HG1 LYS 15 21.760 1.079 6.313
113 1HD LYS 15 HD2 LYS 15 19.686 0.814 5.304
114 2HD LYS 15 HD1 LYS 15 19.622 -0.914 5.652
115 1HE LYS 15 HE2 LYS 15 19.558 -0.145 8.154
116 2HE LYS 15 HE1 LYS 15 19.043 1.402 7.481
117 1HZ LYS 15 HZ1 LYS 15 17.244 0.275 6.340
118 2HZ LYS 15 HZ2 LYS 15 17.157 -0.014 8.012
119 3HZ LYS 15 HZ3 LYS 15 17.744 -1.219 6.968
120 H GLN 16 HN GLN 16 22.244 -1.809 2.430
121 HA GLN 16 HA GLN 16 24.625 -3.209 2.340
122 1HB GLN 16 HB2 GLN 16 22.817 -2.373 0.060
123 2HB GLN 16 HB1 GLN 16 24.202 -3.435 -0.182
124 1HG GLN 16 HG2 GLN 16 23.292 -5.140 1.165
125 2HG GLN 16 HG1 GLN 16 22.153 -4.042 1.943
126 1HE2 GLN 16 HE21 GLN 16 20.592 -5.869 1.162
127 2HE2 GLN 16 HE22 GLN 16 19.949 -5.701 -0.399
128 H MET 17 HN MET 17 23.946 -0.189 0.551
129 HA MET 17 HA MET 17 26.320 0.169 -0.822
130 1HB MET 17 HB2 MET 17 25.025 2.376 0.798
131 2HB MET 17 HB1 MET 17 25.952 2.546 -0.693
132 1HG MET 17 HG2 MET 17 24.046 0.794 -1.512
133 2HG MET 17 HG1 MET 17 23.137 1.703 -0.305
134 1HE MET 17 HE1 MET 17 21.453 2.703 -2.275
135 2HE MET 17 HE2 MET 17 22.368 1.466 -3.133
136 3HE MET 17 HE3 MET 17 22.152 3.056 -3.861
137 H ALA 18 HN ALA 18 25.932 1.809 2.325
138 HA ALA 18 HA ALA 18 28.590 2.316 2.866
139 1HB ALA 18 HB1 ALA 18 26.307 1.568 4.671
140 2HB ALA 18 HB2 ALA 18 27.106 3.129 4.485
141 3HB ALA 18 HB3 ALA 18 27.916 1.821 5.346
142 H VAL 19 HN VAL 19 26.901 -0.637 3.935
143 HA VAL 19 HA VAL 19 28.945 -2.107 5.031
144 HB VAL 19 HB VAL 19 26.688 -2.922 3.217
145 1HG1 VAL 19 HG11 VAL 19 27.340 -5.331 3.803
146 2HG1 VAL 19 HG12 VAL 19 28.933 -4.692 4.209
147 3HG1 VAL 19 HG13 VAL 19 28.316 -4.540 2.564
148 1HG2 VAL 19 HG21 VAL 19 27.461 -3.418 6.108
149 2HG2 VAL 19 HG22 VAL 19 26.082 -4.193 5.328
150 3HG2 VAL 19 HG23 VAL 19 26.119 -2.440 5.514
151 H LYS 20 HN LYS 20 28.325 -2.010 1.485
152 HA LYS 20 HA LYS 20 30.915 -3.279 0.968
153 1HB LYS 20 HB2 LYS 20 29.123 -1.970 -1.082
154 2HB LYS 20 HB1 LYS 20 30.270 -3.289 -1.319
155 1HG LYS 20 HG2 LYS 20 28.894 -4.801 -0.017
156 2HG LYS 20 HG1 LYS 20 27.804 -3.489 0.431
157 1HD LYS 20 HD2 LYS 20 28.285 -4.094 -2.473
158 2HD LYS 20 HD1 LYS 20 27.149 -5.080 -1.551
159 1HE LYS 20 HE2 LYS 20 26.190 -2.764 -0.774
160 2HE LYS 20 HE1 LYS 20 27.004 -2.152 -2.214
161 1HZ LYS 20 HZ1 LYS 20 25.801 -3.734 -3.554
162 2HZ LYS 20 HZ2 LYS 20 24.703 -2.803 -2.652
163 3HZ LYS 20 HZ3 LYS 20 25.059 -4.396 -2.180
164 HN LYN 21 HN LYN 21 31.383 -0.977 2.403
165 HA LYN 21 HA LYN 21 32.032 1.180 0.491
166 HB1 LYN 21 HB1 LYN 21 33.101 2.002 2.853
167 HB2 LYN 21 HB2 LYN 21 31.850 0.904 3.438
168 HG1 LYN 21 HG1 LYN 21 30.566 2.805 3.231
169 HG2 LYN 21 HG2 LYN 21 30.417 2.211 1.576
170 HD1 LYN 21 HD1 LYN 21 32.822 3.851 2.095
171 HD2 LYN 21 HD2 LYN 21 31.292 4.718 2.234
172 HE1 LYN 21 HE1 LYN 21 30.962 3.170 -0.055
173 HE2 LYN 21 HE2 LYN 21 32.642 3.698 -0.153
174 HZ1 LYN 21 HZ1 LYN 21 30.240 5.411 0.162
175 HZ2 LYN 21 HZ2 LYN 21 31.290 5.346 -1.172
176 HZ3 LYN 21 HZ3 LYN 21 31.830 5.983 0.307
177 H1 LYN 21 H1 LYN 21 33.569 -0.721 -0.472
178 H2 LYN 21 H2 LYN 21 35.168 -0.668 0.094
Start of MODEL 12
1 1H HIS 1 HT1 HIS 1 2.292 6.631 5.572
2 2H HIS 1 HT2 HIS 1 3.901 6.981 5.154
3 3H HIS 1 HT3 HIS 1 3.554 5.688 6.201
4 HA HIS 1 HA HIS 1 2.430 4.505 4.427
5 1HB HIS 1 HB2 HIS 1 1.743 6.648 3.254
6 2HB HIS 1 HB1 HIS 1 3.395 6.755 2.644
7 HD1 HIS 1 HD1 HIS 1 2.844 6.264 0.189
8 HD2 HIS 1 HD2 HIS 1 1.473 3.307 2.788
9 HE1 HIS 1 HE1 HIS 1 2.109 4.321 -1.260
10 H SER 2 HN SER 2 3.715 2.972 3.342
11 HA SER 2 HA SER 2 6.477 3.565 2.619
12 1HB SER 2 HB2 SER 2 5.814 2.044 5.127
13 2HB SER 2 HB1 SER 2 7.273 1.657 4.220
14 HG SER 2 HG SER 2 7.864 3.860 4.406
15 H ASP 3 HN ASP 3 7.537 1.578 1.695
16 HA ASP 3 HA ASP 3 6.050 -0.858 1.297
17 1HB ASP 3 HB2 ASP 3 4.770 0.919 -0.076
18 2HB ASP 3 HB1 ASP 3 6.154 0.871 -1.167
19 H GLY 4 HN GLY 4 8.470 -1.238 1.938
20 1HA GLY 4 HA2 GLY 4 10.519 -2.158 1.195
21 2HA GLY 4 HA1 GLY 4 9.935 -1.991 -0.464
22 H ILE 5 HN ILE 5 10.856 -0.412 -1.679
23 HA ILE 5 HA ILE 5 13.061 1.091 -1.058
24 HB ILE 5 HB ILE 5 12.344 1.197 -3.298
25 1HG1 ILE 5 HG12 ILE 5 11.735 3.880 -2.012
26 2HG1 ILE 5 HG11 ILE 5 13.292 3.344 -2.644
27 1HG2 ILE 5 HG21 ILE 5 10.030 0.656 -3.045
28 2HG2 ILE 5 HG22 ILE 5 10.087 2.214 -3.869
29 3HG2 ILE 5 HG23 ILE 5 9.713 2.140 -2.147
30 1HD1 ILE 5 HD11 ILE 5 11.854 2.969 -4.857
31 2HD1 ILE 5 HD12 ILE 5 12.539 4.546 -4.467
32 3HD1 ILE 5 HD13 ILE 5 10.843 4.212 -4.119
33 H PHE 6 HN PHE 6 9.789 1.767 0.007
34 HA PHE 6 HA PHE 6 10.802 4.255 1.313
35 1HB PHE 6 HB2 PHE 6 8.238 3.488 0.100
36 2HB PHE 6 HB1 PHE 6 8.074 4.256 1.681
37 HD1 PHE 6 HD1 PHE 6 9.282 6.459 2.099
38 HD2 PHE 6 HD2 PHE 6 8.800 4.754 -1.812
39 HE1 PHE 6 HE1 PHE 6 9.753 8.672 1.077
40 HE2 PHE 6 HE2 PHE 6 9.270 6.966 -2.837
41 HZ PHE 6 HZ PHE 6 9.747 8.925 -1.391
42 H THR 7 HN THR 7 11.824 2.749 2.957
43 HA THR 7 HA THR 7 10.249 2.621 5.317
44 HB THR 7 HB THR 7 9.134 0.754 4.119
45 HG1 THR 7 HG1 THR 7 9.489 0.754 6.429
46 1HG2 THR 7 HG21 THR 7 11.238 -1.188 4.369
47 2HG2 THR 7 HG22 THR 7 11.788 0.147 3.356
48 3HG2 THR 7 HG23 THR 7 10.320 -0.735 2.933
49 H ASP 8 HN ASP 8 11.749 0.001 6.069
50 HA ASP 8 HA ASP 8 14.294 1.419 6.631
51 1HB ASP 8 HB2 ASP 8 13.233 0.606 8.620
52 2HB ASP 8 HB1 ASP 8 12.969 -0.983 7.902
53 H SER 9 HN SER 9 13.324 -1.961 5.897
54 HA SER 9 HA SER 9 15.712 -3.105 5.244
55 1HB SER 9 HB2 SER 9 14.364 -4.048 3.140
56 2HB SER 9 HB1 SER 9 14.033 -4.576 4.784
57 HG SER 9 HG SER 9 12.241 -3.718 3.316
58 H TYR 10 HN TYR 10 13.819 -1.411 2.698
59 HA TYR 10 HA TYR 10 15.743 -1.340 0.712
60 1HB TYR 10 HB2 TYR 10 14.177 -0.067 -0.275
61 2HB TYR 10 HB1 TYR 10 13.314 -0.012 1.249
62 HD1 TYR 10 HD1 TYR 10 15.627 1.790 -0.985
63 HD2 TYR 10 HD2 TYR 10 13.489 1.921 2.739
64 HE1 TYR 10 HE1 TYR 10 16.080 4.221 -0.807
65 HE2 TYR 10 HE2 TYR 10 13.942 4.351 2.915
66 HH TYR 10 HH TYR 10 16.164 5.963 0.795
67 H SER 11 HN SER 11 15.372 1.075 3.313
68 HA SER 11 HA SER 11 17.525 2.742 2.709
69 1HB SER 11 HB2 SER 11 15.982 3.179 4.560
70 2HB SER 11 HB1 SER 11 16.604 1.781 5.436
71 HG SER 11 HG SER 11 17.510 3.927 5.975
72 H ARG 12 HN ARG 12 17.620 -0.218 4.713
73 HA ARG 12 HA ARG 12 20.525 -0.206 4.859
74 1HB ARG 12 HB2 ARG 12 20.302 -2.265 6.045
75 2HB ARG 12 HB1 ARG 12 18.894 -1.318 6.516
76 1HG ARG 12 HG2 ARG 12 17.450 -2.567 5.135
77 2HG ARG 12 HG1 ARG 12 18.777 -3.261 4.207
78 1HD ARG 12 HD2 ARG 12 17.899 -4.929 5.767
79 2HD ARG 12 HD1 ARG 12 19.534 -4.468 6.243
80 HE ARG 12 HE ARG 12 17.284 -3.046 7.550
81 1HH1 ARG 12 HH11 ARG 12 20.357 -3.494 8.220
82 2HH1 ARG 12 HH12 ARG 12 20.181 -4.419 9.674
83 1HH2 ARG 12 HH21 ARG 12 16.809 -5.057 9.174
84 2HH2 ARG 12 HH22 ARG 12 18.172 -5.304 10.214
85 H TYR 13 HN TYR 13 18.144 -1.319 2.635
86 HA TYR 13 HA TYR 13 20.000 -3.159 1.268
87 1HB TYR 13 HB2 TYR 13 18.000 -4.163 0.911
88 2HB TYR 13 HB1 TYR 13 17.113 -2.718 1.376
89 HD1 TYR 13 HD1 TYR 13 17.904 -4.893 -1.296
90 HD2 TYR 13 HD2 TYR 13 17.113 -0.764 -0.417
91 HE1 TYR 13 HE1 TYR 13 17.321 -4.500 -3.672
92 HE2 TYR 13 HE2 TYR 13 16.530 -0.370 -2.793
93 HH TYR 13 HH TYR 13 15.704 -2.588 -4.874
94 H ARG 14 HN ARG 14 19.616 0.113 1.351
95 HA ARG 14 HA ARG 14 20.002 0.525 -1.562
96 1HB ARG 14 HB2 ARG 14 18.523 1.978 0.085
97 2HB ARG 14 HB1 ARG 14 20.066 2.758 0.438
98 1HG ARG 14 HG2 ARG 14 20.249 2.758 -2.227
99 2HG ARG 14 HG1 ARG 14 18.490 2.733 -2.099
100 1HD ARG 14 HD2 ARG 14 18.721 4.995 -1.926
101 2HD ARG 14 HD1 ARG 14 19.100 4.632 -0.242
102 HE ARG 14 HE ARG 14 21.344 5.224 -0.680
103 1HH1 ARG 14 HH11 ARG 14 19.544 6.140 -3.291
104 2HH1 ARG 14 HH12 ARG 14 20.816 6.032 -4.463
105 1HH2 ARG 14 HH21 ARG 14 23.020 4.435 -2.314
106 2HH2 ARG 14 HH22 ARG 14 22.783 5.067 -3.909
107 H LYS 15 HN LYS 15 21.564 2.009 1.297
108 HA LYS 15 HA LYS 15 23.955 2.780 0.160
109 1HB LYS 15 HB2 LYS 15 23.367 1.627 2.885
110 2HB LYS 15 HB1 LYS 15 24.998 2.135 2.446
111 1HG LYS 15 HG2 LYS 15 24.204 4.124 3.313
112 2HG LYS 15 HG1 LYS 15 23.708 4.322 1.632
113 1HD LYS 15 HD2 LYS 15 21.499 4.131 2.132
114 2HD LYS 15 HD1 LYS 15 21.780 2.836 3.296
115 1HE LYS 15 HE2 LYS 15 22.942 5.016 4.533
116 2HE LYS 15 HE1 LYS 15 21.534 5.727 3.743
117 1HZ LYS 15 HZ1 LYS 15 20.094 4.298 4.864
118 2HZ LYS 15 HZ2 LYS 15 21.212 4.767 6.054
119 3HZ LYS 15 HZ3 LYS 15 21.335 3.238 5.324
120 H GLN 16 HN GLN 16 23.239 -0.485 1.425
121 HA GLN 16 HA GLN 16 25.655 -1.775 1.052
122 1HB GLN 16 HB2 GLN 16 22.864 -2.745 0.387
123 2HB GLN 16 HB1 GLN 16 24.278 -3.795 0.308
124 1HG GLN 16 HG2 GLN 16 23.218 -2.340 2.744
125 2HG GLN 16 HG1 GLN 16 23.294 -4.083 2.490
126 1HE2 GLN 16 HE21 GLN 16 25.864 -4.502 1.563
127 2HE2 GLN 16 HE22 GLN 16 27.004 -3.969 2.702
128 H MET 17 HN MET 17 23.242 -1.130 -1.504
129 HA MET 17 HA MET 17 24.441 -2.323 -3.694
130 1HB MET 17 HB2 MET 17 23.162 0.421 -3.548
131 2HB MET 17 HB1 MET 17 23.533 -0.416 -5.056
132 1HG MET 17 HG2 MET 17 22.182 -2.329 -3.543
133 2HG MET 17 HG1 MET 17 21.310 -0.832 -3.212
134 1HE MET 17 HE1 MET 17 19.943 -3.225 -4.546
135 2HE MET 17 HE2 MET 17 19.050 -2.462 -5.859
136 3HE MET 17 HE3 MET 17 19.150 -1.665 -4.291
137 H ALA 18 HN ALA 18 24.967 1.168 -3.202
138 HA ALA 18 HA ALA 18 27.221 1.489 -4.753
139 1HB ALA 18 HB1 ALA 18 27.903 3.317 -3.211
140 2HB ALA 18 HB2 ALA 18 26.740 2.721 -2.027
141 3HB ALA 18 HB3 ALA 18 26.177 3.363 -3.570
142 H VAL 19 HN VAL 19 27.342 0.717 -1.277
143 HA VAL 19 HA VAL 19 30.029 0.330 -0.859
144 HB VAL 19 HB VAL 19 27.645 -1.234 0.100
145 1HG1 VAL 19 HG11 VAL 19 29.343 -2.334 1.722
146 2HG1 VAL 19 HG12 VAL 19 30.553 -1.934 0.502
147 3HG1 VAL 19 HG13 VAL 19 29.211 -3.004 0.096
148 1HG2 VAL 19 HG21 VAL 19 28.313 -0.255 2.251
149 2HG2 VAL 19 HG22 VAL 19 28.194 1.013 1.031
150 3HG2 VAL 19 HG23 VAL 19 29.775 0.403 1.517
151 H LYS 20 HN LYS 20 27.900 -2.220 -2.250
152 HA LYS 20 HA LYS 20 30.224 -3.841 -2.969
153 1HB LYS 20 HB2 LYS 20 27.372 -4.208 -3.911
154 2HB LYS 20 HB1 LYS 20 28.638 -5.431 -3.801
155 1HG LYS 20 HG2 LYS 20 28.588 -5.423 -1.423
156 2HG LYS 20 HG1 LYS 20 27.653 -3.928 -1.372
157 1HD LYS 20 HD2 LYS 20 26.670 -6.585 -2.456
158 2HD LYS 20 HD1 LYS 20 26.212 -5.875 -0.907
159 1HE LYS 20 HE2 LYS 20 24.590 -4.703 -1.931
160 2HE LYS 20 HE1 LYS 20 25.808 -3.891 -2.914
161 1HZ LYS 20 HZ1 LYS 20 23.974 -5.275 -4.058
162 2HZ LYS 20 HZ2 LYS 20 24.928 -6.610 -3.616
163 3HZ LYS 20 HZ3 LYS 20 25.571 -5.397 -4.617
164 HN LYN 21 HN LYN 21 30.569 -1.374 -4.153
165 HA LYN 21 HA LYN 21 30.993 -2.015 -6.879
166 HB1 LYN 21 HB1 LYN 21 28.487 -1.921 -6.959
167 HB2 LYN 21 HB2 LYN 21 29.262 -0.738 -8.012
168 HG1 LYN 21 HG1 LYN 21 29.062 0.874 -5.986
169 HG2 LYN 21 HG2 LYN 21 27.897 -0.292 -5.359
170 HD1 LYN 21 HD1 LYN 21 27.632 0.679 -8.189
171 HD2 LYN 21 HD2 LYN 21 27.072 1.705 -6.868
172 HE1 LYN 21 HE1 LYN 21 25.807 -0.369 -6.022
173 HE2 LYN 21 HE2 LYN 21 26.136 -1.073 -7.606
174 HZ1 LYN 21 HZ1 LYN 21 23.970 0.144 -7.380
175 HZ2 LYN 21 HZ2 LYN 21 24.954 0.644 -8.672
176 HZ3 LYN 21 HZ3 LYN 21 24.864 1.580 -7.256
177 H1 LYN 21 H1 LYN 21 32.361 -0.631 -4.706
178 H2 LYN 21 H2 LYN 21 32.682 0.949 -5.236
Start of MODEL 13
1 1H HIS 1 HT1 HIS 1 2.357 5.514 -0.120
2 2H HIS 1 HT2 HIS 1 2.221 3.914 0.434
3 3H HIS 1 HT3 HIS 1 0.908 4.661 -0.343
4 HA HIS 1 HA HIS 1 1.879 3.204 -1.916
5 1HB HIS 1 HB2 HIS 1 1.225 5.477 -2.719
6 2HB HIS 1 HB1 HIS 1 2.880 6.019 -2.442
7 HD1 HIS 1 HD1 HIS 1 3.754 6.282 -4.793
8 HD2 HIS 1 HD2 HIS 1 1.860 2.612 -4.222
9 HE1 HIS 1 HE1 HIS 1 4.160 4.932 -6.896
10 H SER 2 HN SER 2 3.708 2.130 -2.678
11 HA SER 2 HA SER 2 6.394 3.138 -2.225
12 1HB SER 2 HB2 SER 2 5.217 1.080 -0.379
13 2HB SER 2 HB1 SER 2 6.932 1.019 -0.774
14 HG SER 2 HG SER 2 5.798 2.513 1.025
15 H ASP 3 HN ASP 3 8.034 1.508 -3.002
16 HA ASP 3 HA ASP 3 7.101 -0.892 -4.360
17 1HB ASP 3 HB2 ASP 3 6.362 1.084 -5.828
18 2HB ASP 3 HB1 ASP 3 8.077 1.319 -6.163
19 H GLY 4 HN GLY 4 9.038 -1.285 -2.739
20 1HA GLY 4 HA2 GLY 4 11.279 -2.037 -2.629
21 2HA GLY 4 HA1 GLY 4 11.442 -1.645 -4.343
22 H ILE 5 HN ILE 5 12.642 0.125 -4.848
23 HA ILE 5 HA ILE 5 14.255 1.560 -3.160
24 HB ILE 5 HB ILE 5 14.529 1.970 -5.462
25 1HG1 ILE 5 HG12 ILE 5 14.643 4.027 -3.850
26 2HG1 ILE 5 HG11 ILE 5 14.672 4.310 -5.589
27 1HG2 ILE 5 HG21 ILE 5 11.591 2.649 -5.409
28 2HG2 ILE 5 HG22 ILE 5 12.410 1.395 -6.341
29 3HG2 ILE 5 HG23 ILE 5 12.624 3.093 -6.767
30 1HD1 ILE 5 HD11 ILE 5 12.892 5.452 -3.771
31 2HD1 ILE 5 HD12 ILE 5 11.944 4.187 -4.552
32 3HD1 ILE 5 HD13 ILE 5 12.716 5.438 -5.526
33 H PHE 6 HN PHE 6 10.798 2.001 -3.520
34 HA PHE 6 HA PHE 6 10.949 4.302 -1.625
35 1HB PHE 6 HB2 PHE 6 9.387 3.823 -3.963
36 2HB PHE 6 HB1 PHE 6 8.292 3.869 -2.580
37 HD1 PHE 6 HD1 PHE 6 8.467 5.817 -0.948
38 HD2 PHE 6 HD2 PHE 6 10.373 5.799 -4.795
39 HE1 PHE 6 HE1 PHE 6 8.691 8.287 -0.848
40 HE2 PHE 6 HE2 PHE 6 10.598 8.268 -4.699
41 HZ PHE 6 HZ PHE 6 9.757 9.513 -2.724
42 H THR 7 HN THR 7 11.355 2.612 0.111
43 HA THR 7 HA THR 7 8.985 2.094 1.583
44 HB THR 7 HB THR 7 8.588 0.394 -0.175
45 HG1 THR 7 HG1 THR 7 8.059 0.070 2.103
46 1HG2 THR 7 HG21 THR 7 10.283 -0.828 -0.987
47 2HG2 THR 7 HG22 THR 7 10.561 -1.525 0.609
48 3HG2 THR 7 HG23 THR 7 11.379 -0.033 0.144
49 H ASP 8 HN ASP 8 10.174 -0.531 2.624
50 HA ASP 8 HA ASP 8 12.202 0.810 4.316
51 1HB ASP 8 HB2 ASP 8 10.433 -0.296 5.540
52 2HB ASP 8 HB1 ASP 8 10.693 -1.793 4.644
53 H SER 9 HN SER 9 11.819 -2.418 2.787
54 HA SER 9 HA SER 9 14.324 -3.474 3.054
55 1HB SER 9 HB2 SER 9 14.026 -4.064 0.460
56 2HB SER 9 HB1 SER 9 13.085 -4.847 1.722
57 HG SER 9 HG SER 9 12.233 -3.323 -0.289
58 H TYR 10 HN TYR 10 13.578 -1.422 0.195
59 HA TYR 10 HA TYR 10 16.151 -1.052 -0.747
60 1HB TYR 10 HB2 TYR 10 15.075 0.355 -2.128
61 2HB TYR 10 HB1 TYR 10 13.643 0.174 -1.134
62 HD1 TYR 10 HD1 TYR 10 16.570 2.296 -1.865
63 HD2 TYR 10 HD2 TYR 10 13.019 1.866 0.513
64 HE1 TYR 10 HE1 TYR 10 16.736 4.674 -1.184
65 HE2 TYR 10 HE2 TYR 10 13.184 4.244 1.192
66 HH TYR 10 HH TYR 10 14.751 6.476 -0.305
67 H SER 11 HN SER 11 14.563 0.962 1.735
68 HA SER 11 HA SER 11 16.656 2.699 2.341
69 1HB SER 11 HB2 SER 11 14.451 2.846 3.400
70 2HB SER 11 HB1 SER 11 14.741 1.335 4.261
71 HG SER 11 HG SER 11 15.219 3.136 5.571
72 H ARG 12 HN ARG 12 16.097 -0.540 3.744
73 HA ARG 12 HA ARG 12 18.661 -0.542 5.124
74 1HB ARG 12 HB2 ARG 12 18.084 -2.734 5.843
75 2HB ARG 12 HB1 ARG 12 16.543 -1.888 5.749
76 1HG ARG 12 HG2 ARG 12 15.935 -2.974 3.753
77 2HG ARG 12 HG1 ARG 12 17.584 -3.484 3.407
78 1HD ARG 12 HD2 ARG 12 15.761 -4.521 5.589
79 2HD ARG 12 HD1 ARG 12 16.401 -5.418 4.212
80 HE ARG 12 HE ARG 12 18.688 -4.623 5.482
81 1HH1 ARG 12 HH21 ARG 12 16.371 -6.998 5.848
82 2HH1 ARG 12 HH22 ARG 12 16.824 -7.451 7.457
83 1HH2 ARG 12 HH11 ARG 12 19.019 -4.800 7.872
84 2HH2 ARG 12 HH12 ARG 12 18.323 -6.207 8.603
85 H TYR 13 HN TYR 13 17.503 -1.349 1.977
86 HA TYR 13 HA TYR 13 19.874 -2.961 1.301
87 1HB TYR 13 HB2 TYR 13 18.286 -3.889 -0.020
88 2HB TYR 13 HB1 TYR 13 17.194 -2.534 0.225
89 HD1 TYR 13 HD1 TYR 13 17.833 -0.320 -1.095
90 HD2 TYR 13 HD2 TYR 13 19.158 -4.269 -2.142
91 HE1 TYR 13 HE1 TYR 13 18.273 0.442 -3.412
92 HE2 TYR 13 HE2 TYR 13 19.601 -3.507 -4.459
93 HH TYR 13 HH TYR 13 19.588 -0.177 -5.332
94 H ARG 14 HN ARG 14 19.322 0.261 1.665
95 HA ARG 14 HA ARG 14 20.989 1.043 -0.679
96 1HB ARG 14 HB2 ARG 14 18.717 2.206 0.228
97 2HB ARG 14 HB1 ARG 14 19.910 3.120 1.152
98 1HG ARG 14 HG2 ARG 14 21.156 3.463 -1.051
99 2HG ARG 14 HG1 ARG 14 19.712 2.842 -1.852
100 1HD ARG 14 HD2 ARG 14 19.021 5.007 -1.822
101 2HD ARG 14 HD1 ARG 14 18.633 4.685 -0.131
102 HE ARG 14 HE ARG 14 21.094 6.070 -1.087
103 1HH1 ARG 14 HH11 ARG 14 18.488 6.384 0.920
104 2HH1 ARG 14 HH12 ARG 14 19.380 6.786 2.349
105 1HH2 ARG 14 HH21 ARG 14 22.462 6.007 0.963
106 2HH2 ARG 14 HH22 ARG 14 21.630 6.572 2.373
107 H LYS 15 HN LYS 15 20.741 2.359 2.639
108 HA LYS 15 HA LYS 15 23.363 3.273 2.866
109 1HB LYS 15 HB2 LYS 15 21.565 2.061 4.982
110 2HB LYS 15 HB1 LYS 15 23.090 2.867 5.352
111 1HG LYS 15 HG2 LYS 15 21.720 4.700 5.520
112 2HG LYS 15 HG1 LYS 15 21.980 4.751 3.775
113 1HD LYS 15 HD2 LYS 15 19.862 4.005 3.298
114 2HD LYS 15 HD1 LYS 15 19.775 3.004 4.747
115 1HE LYS 15 HE2 LYS 15 19.760 6.021 4.895
116 2HE LYS 15 HE1 LYS 15 18.274 5.091 4.697
117 1HZ LYS 15 HZ1 LYS 15 18.653 3.969 6.726
118 2HZ LYS 15 HZ2 LYS 15 18.896 5.621 7.042
119 3HZ LYS 15 HZ3 LYS 15 20.229 4.582 6.866
120 H GLN 16 HN GLN 16 22.195 0.065 3.960
121 HA GLN 16 HA GLN 16 24.571 -1.083 4.792
122 1HB GLN 16 HB2 GLN 16 23.676 -3.241 4.196
123 2HB GLN 16 HB1 GLN 16 22.314 -2.232 4.682
124 1HG GLN 16 HG2 GLN 16 21.781 -1.762 2.342
125 2HG GLN 16 HG1 GLN 16 23.198 -2.670 1.813
126 1HE2 GLN 16 HE21 GLN 16 21.778 -4.195 0.640
127 2HE2 GLN 16 HE22 GLN 16 20.889 -5.368 1.487
128 H MET 17 HN MET 17 23.556 -0.500 1.452
129 HA MET 17 HA MET 17 25.402 -1.955 -0.011
130 1HB MET 17 HB2 MET 17 24.637 0.945 -0.465
131 2HB MET 17 HB1 MET 17 25.373 -0.113 -1.670
132 1HG MET 17 HG2 MET 17 23.437 -1.657 -1.468
133 2HG MET 17 HG1 MET 17 22.692 -0.545 -0.318
134 1HE MET 17 HE1 MET 17 21.408 -1.671 -2.864
135 2HE MET 17 HE2 MET 17 22.844 -1.638 -3.884
136 3HE MET 17 HE3 MET 17 21.435 -0.678 -4.328
137 H ALA 18 HN ALA 18 26.121 1.473 0.641
138 HA ALA 18 HA ALA 18 28.845 1.425 0.213
139 1HB ALA 18 HB1 ALA 18 29.033 3.266 1.881
140 2HB ALA 18 HB2 ALA 18 27.398 2.899 2.430
141 3HB ALA 18 HB3 ALA 18 27.665 3.488 0.789
142 H VAL 19 HN VAL 19 27.382 0.940 3.428
143 HA VAL 19 HA VAL 19 29.559 0.261 4.956
144 HB VAL 19 HB VAL 19 26.790 -0.909 4.852
145 1HG1 VAL 19 HG11 VAL 19 27.502 -2.051 7.087
146 2HG1 VAL 19 HG12 VAL 19 29.136 -1.950 6.431
147 3HG1 VAL 19 HG13 VAL 19 27.894 -2.858 5.569
148 1HG2 VAL 19 HG21 VAL 19 28.394 0.657 6.901
149 2HG2 VAL 19 HG22 VAL 19 26.738 0.102 7.145
150 3HG2 VAL 19 HG23 VAL 19 27.095 1.284 5.885
151 H LYS 20 HN LYS 20 27.851 -2.121 2.867
152 HA LYS 20 HA LYS 20 30.000 -4.068 3.238
153 1HB LYS 20 HB2 LYS 20 27.807 -4.193 1.163
154 2HB LYS 20 HB1 LYS 20 28.672 -5.533 1.917
155 1HG LYS 20 HG2 LYS 20 27.629 -5.076 4.060
156 2HG LYS 20 HG1 LYS 20 26.872 -3.616 3.423
157 1HD LYS 20 HD2 LYS 20 26.367 -6.306 2.157
158 2HD LYS 20 HD1 LYS 20 25.425 -5.761 3.546
159 1HE LYS 20 HE2 LYS 20 24.729 -3.757 2.331
160 2HE LYS 20 HE1 LYS 20 25.738 -4.211 0.958
161 1HZ LYS 20 HZ1 LYS 20 24.406 -6.320 0.882
162 2HZ LYS 20 HZ2 LYS 20 23.564 -4.909 0.450
163 3HZ LYS 20 HZ3 LYS 20 23.334 -5.603 1.983
164 HN LYN 21 HN LYN 21 31.186 -1.796 2.261
165 HA LYN 21 HA LYN 21 31.866 -2.615 -0.530
166 HB1 LYN 21 HB1 LYN 21 32.195 -0.165 -1.034
167 HB2 LYN 21 HB2 LYN 21 31.435 0.197 0.516
168 HG1 LYN 21 HG1 LYN 21 29.350 -0.351 -0.241
169 HG2 LYN 21 HG2 LYN 21 29.950 -1.696 -1.212
170 HD1 LYN 21 HD1 LYN 21 30.679 1.071 -2.071
171 HD2 LYN 21 HD2 LYN 21 29.018 0.542 -2.342
172 HE1 LYN 21 HE1 LYN 21 29.634 -0.906 -3.981
173 HE2 LYN 21 HE2 LYN 21 31.040 -1.468 -3.077
174 HZ1 LYN 21 HZ1 LYN 21 31.801 -0.337 -5.010
175 HZ2 LYN 21 HZ2 LYN 21 32.137 0.658 -3.675
176 HZ3 LYN 21 HZ3 LYN 21 30.823 1.011 -4.692
177 H1 LYN 21 H1 LYN 21 33.170 -3.047 2.203
178 H2 LYN 21 H2 LYN 21 34.734 -2.411 2.032
Start of MODEL 14
1 1H HIS 1 HT1 HIS 1 0.939 5.286 0.275
2 2H HIS 1 HT2 HIS 1 2.411 4.990 1.070
3 3H HIS 1 HT3 HIS 1 1.758 3.822 0.022
4 HA HIS 1 HA HIS 1 2.132 5.183 -1.878
5 1HB HIS 1 HB2 HIS 1 1.629 7.312 -0.531
6 2HB HIS 1 HB1 HIS 1 3.319 7.258 -0.028
7 HD1 HIS 1 HD1 HIS 1 1.329 7.166 -3.288
8 HD2 HIS 1 HD2 HIS 1 5.007 8.485 -1.835
9 HE1 HIS 1 HE1 HIS 1 2.472 8.358 -5.208
10 H SER 2 HN SER 2 4.271 5.339 -2.890
11 HA SER 2 HA SER 2 6.609 4.712 -1.218
12 1HB SER 2 HB2 SER 2 5.404 2.753 -3.173
13 2HB SER 2 HB1 SER 2 7.109 2.693 -2.737
14 HG SER 2 HG SER 2 5.199 1.583 -1.439
15 H ASP 3 HN ASP 3 8.630 4.752 -2.556
16 HA ASP 3 HA ASP 3 8.584 5.509 -5.334
17 1HB ASP 3 HB2 ASP 3 7.596 7.549 -4.078
18 2HB ASP 3 HB1 ASP 3 9.246 7.818 -3.519
19 H GLY 4 HN GLY 4 10.303 3.732 -4.792
20 1HA GLY 4 HA2 GLY 4 12.621 3.260 -4.777
21 2HA GLY 4 HA1 GLY 4 12.924 4.999 -4.718
22 H ILE 5 HN ILE 5 13.659 5.806 -2.814
23 HA ILE 5 HA ILE 5 14.512 4.392 -0.628
24 HB ILE 5 HB ILE 5 15.028 6.690 -0.629
25 1HG1 ILE 5 HG12 ILE 5 12.908 6.228 1.495
26 2HG1 ILE 5 HG11 ILE 5 14.640 5.940 1.657
27 1HG2 ILE 5 HG21 ILE 5 13.181 8.420 -0.539
28 2HG2 ILE 5 HG22 ILE 5 12.042 7.112 -0.856
29 3HG2 ILE 5 HG23 ILE 5 13.279 7.513 -2.048
30 1HD1 ILE 5 HD11 ILE 5 14.828 8.479 0.984
31 2HD1 ILE 5 HD12 ILE 5 14.437 8.040 2.646
32 3HD1 ILE 5 HD13 ILE 5 13.157 8.547 1.544
33 H PHE 6 HN PHE 6 11.171 5.158 -1.362
34 HA PHE 6 HA PHE 6 10.379 3.862 1.210
35 1HB PHE 6 HB2 PHE 6 9.266 6.057 -0.395
36 2HB PHE 6 HB1 PHE 6 8.063 4.872 0.121
37 HD1 PHE 6 HD1 PHE 6 9.532 7.844 1.050
38 HD2 PHE 6 HD2 PHE 6 8.627 3.971 2.665
39 HE1 PHE 6 HE1 PHE 6 9.584 8.792 3.343
40 HE2 PHE 6 HE2 PHE 6 8.677 4.916 4.960
41 HZ PHE 6 HZ PHE 6 9.156 7.327 5.299
42 H THR 7 HN THR 7 10.925 1.748 0.094
43 HA THR 7 HA THR 7 8.567 0.460 -0.828
44 HB THR 7 HB THR 7 8.997 1.790 -2.880
45 HG1 THR 7 HG1 THR 7 8.052 -0.005 -3.484
46 1HG2 THR 7 HG21 THR 7 11.684 1.021 -2.342
47 2HG2 THR 7 HG22 THR 7 11.090 2.067 -3.632
48 3HG2 THR 7 HG23 THR 7 11.230 0.329 -3.900
49 H ASP 8 HN ASP 8 10.326 -1.279 -2.696
50 HA ASP 8 HA ASP 8 11.520 -2.804 -0.450
51 1HB ASP 8 HB2 ASP 8 9.978 -4.091 -1.785
52 2HB ASP 8 HB1 ASP 8 10.782 -3.598 -3.275
53 H SER 9 HN SER 9 12.372 -2.114 -3.872
54 HA SER 9 HA SER 9 14.992 -2.874 -3.968
55 1HB SER 9 HB2 SER 9 15.330 -0.502 -5.158
56 2HB SER 9 HB1 SER 9 14.458 -1.826 -5.919
57 HG SER 9 HG SER 9 13.462 0.432 -5.658
58 H TYR 10 HN TYR 10 14.168 0.465 -2.921
59 HA TYR 10 HA TYR 10 16.638 1.232 -1.945
60 1HB TYR 10 HB2 TYR 10 15.438 3.016 -1.292
61 2HB TYR 10 HB1 TYR 10 13.979 2.138 -1.707
62 HD1 TYR 10 HD1 TYR 10 12.642 1.015 0.008
63 HD2 TYR 10 HD2 TYR 10 16.227 3.148 1.034
64 HE1 TYR 10 HE1 TYR 10 11.994 0.950 2.399
65 HE2 TYR 10 HE2 TYR 10 15.579 3.082 3.426
66 HH TYR 10 HH TYR 10 12.839 2.745 4.579
67 H SER 11 HN SER 11 14.143 -0.515 -0.084
68 HA SER 11 HA SER 11 15.510 -0.842 2.326
69 1HB SER 11 HB2 SER 11 13.209 -1.613 1.977
70 2HB SER 11 HB1 SER 11 13.776 -2.863 0.869
71 HG SER 11 HG SER 11 13.434 -3.595 3.055
72 H ARG 12 HN ARG 12 15.678 -2.979 -0.536
73 HA ARG 12 HA ARG 12 17.862 -4.546 0.579
74 1HB ARG 12 HB2 ARG 12 17.856 -5.719 -1.498
75 2HB ARG 12 HB1 ARG 12 16.169 -5.300 -1.214
76 1HG ARG 12 HG2 ARG 12 16.207 -3.573 -2.809
77 2HG ARG 12 HG1 ARG 12 17.967 -3.500 -2.838
78 1HD ARG 12 HD2 ARG 12 16.484 -5.989 -3.676
79 2HD ARG 12 HD1 ARG 12 16.800 -4.679 -4.815
80 HE ARG 12 HE ARG 12 19.286 -5.050 -4.008
81 1HH1 ARG 12 HH11 ARG 12 17.488 -6.917 -5.960
82 2HH1 ARG 12 HH12 ARG 12 18.275 -8.424 -5.628
83 1HH2 ARG 12 HH21 ARG 12 20.025 -7.212 -2.891
84 2HH2 ARG 12 HH22 ARG 12 19.711 -8.591 -3.891
85 H TYR 13 HN TYR 13 17.536 -1.597 -1.163
86 HA TYR 13 HA TYR 13 20.358 -1.565 -2.023
87 1HB TYR 13 HB2 TYR 13 19.350 -0.398 -3.684
88 2HB TYR 13 HB1 TYR 13 17.885 -0.181 -2.737
89 HD1 TYR 13 HD1 TYR 13 18.053 1.607 -0.785
90 HD2 TYR 13 HD2 TYR 13 20.652 1.460 -4.201
91 HE1 TYR 13 HE1 TYR 13 18.640 3.990 -0.441
92 HE2 TYR 13 HE2 TYR 13 21.242 3.842 -3.856
93 HH TYR 13 HH TYR 13 20.854 5.458 -1.148
94 H ARG 14 HN ARG 14 18.844 -1.091 0.842
95 HA ARG 14 HA ARG 14 20.607 1.195 1.618
96 1HB ARG 14 HB2 ARG 14 17.903 0.869 2.055
97 2HB ARG 14 HB1 ARG 14 18.598 0.301 3.573
98 1HG ARG 14 HG2 ARG 14 19.992 2.414 3.614
99 2HG ARG 14 HG1 ARG 14 19.034 2.989 2.249
100 1HD ARG 14 HD2 ARG 14 17.501 3.731 3.721
101 2HD ARG 14 HD1 ARG 14 17.167 2.050 4.137
102 HE ARG 14 HE ARG 14 19.336 2.560 5.697
103 1HH1 ARG 14 HH11 ARG 14 17.795 5.342 4.950
104 2HH1 ARG 14 HH12 ARG 14 17.157 5.672 6.526
105 1HH2 ARG 14 HH21 ARG 14 17.938 2.537 7.787
106 2HH2 ARG 14 HH22 ARG 14 17.238 4.083 8.132
107 H LYS 15 HN LYS 15 19.172 -1.476 3.510
108 HA LYS 15 HA LYS 15 21.188 -1.800 5.371
109 1HB LYS 15 HB2 LYS 15 19.600 -3.983 3.987
110 2HB LYS 15 HB1 LYS 15 20.543 -4.221 5.459
111 1HG LYS 15 HG2 LYS 15 18.651 -3.637 6.561
112 2HG LYS 15 HG1 LYS 15 19.036 -1.988 6.069
113 1HD LYS 15 HD2 LYS 15 17.483 -1.986 4.354
114 2HD LYS 15 HD1 LYS 15 17.581 -3.732 4.124
115 1HE LYS 15 HE2 LYS 15 16.576 -2.905 6.771
116 2HE LYS 15 HE1 LYS 15 15.530 -2.464 5.422
117 1HZ LYS 15 HZ1 LYS 15 15.858 -4.844 4.658
118 2HZ LYS 15 HZ2 LYS 15 14.874 -4.606 6.022
119 3HZ LYS 15 HZ3 LYS 15 16.471 -5.154 6.209
120 H GLN 16 HN GLN 16 21.072 -3.389 2.168
121 HA GLN 16 HA GLN 16 23.410 -4.874 2.232
122 1HB GLN 16 HB2 GLN 16 23.566 -4.633 -0.154
123 2HB GLN 16 HB1 GLN 16 21.849 -4.594 0.241
124 1HG GLN 16 HG2 GLN 16 22.040 -2.763 -1.192
125 2HG GLN 16 HG1 GLN 16 22.234 -1.994 0.383
126 1HE2 GLN 16 HE21 GLN 16 24.561 -3.916 -1.589
127 2HE2 GLN 16 HE22 GLN 16 25.747 -2.703 -1.640
128 H MET 17 HN MET 17 23.134 -1.360 1.876
129 HA MET 17 HA MET 17 25.669 -0.566 1.161
130 1HB MET 17 HB2 MET 17 23.937 0.526 3.390
131 2HB MET 17 HB1 MET 17 25.400 1.333 2.823
132 1HG MET 17 HG2 MET 17 23.383 0.499 0.781
133 2HG MET 17 HG1 MET 17 23.015 1.906 1.779
134 1HE MET 17 HE1 MET 17 24.165 3.408 -1.612
135 2HE MET 17 HE2 MET 17 22.824 3.031 -0.534
136 3HE MET 17 HE3 MET 17 23.542 1.755 -1.515
137 H ALA 18 HN ALA 18 24.848 -1.043 4.624
138 HA ALA 18 HA ALA 18 27.297 -0.886 5.801
139 1HB ALA 18 HB1 ALA 18 25.607 -1.458 7.290
140 2HB ALA 18 HB2 ALA 18 26.500 -2.976 7.195
141 3HB ALA 18 HB3 ALA 18 25.015 -2.767 6.267
142 H VAL 19 HN VAL 19 26.111 -3.921 4.340
143 HA VAL 19 HA VAL 19 28.258 -5.601 4.672
144 HB VAL 19 HB VAL 19 26.479 -5.153 2.289
145 1HG1 VAL 19 HG11 VAL 19 27.513 -7.228 1.283
146 2HG1 VAL 19 HG12 VAL 19 28.834 -7.054 2.438
147 3HG1 VAL 19 HG13 VAL 19 28.549 -5.802 1.229
148 1HG2 VAL 19 HG21 VAL 19 26.250 -7.754 3.009
149 2HG2 VAL 19 HG22 VAL 19 25.306 -6.467 3.759
150 3HG2 VAL 19 HG23 VAL 19 26.766 -7.063 4.548
151 H LYS 20 HN LYS 20 28.091 -3.201 1.997
152 HA LYS 20 HA LYS 20 30.829 -3.654 1.204
153 1HB LYS 20 HB2 LYS 20 29.170 -1.172 0.695
154 2HB LYS 20 HB1 LYS 20 30.527 -1.768 -0.262
155 1HG LYS 20 HG2 LYS 20 29.266 -3.721 -0.947
156 2HG LYS 20 HG1 LYS 20 27.944 -3.301 0.142
157 1HD LYS 20 HD2 LYS 20 28.876 -1.539 -2.141
158 2HD LYS 20 HD1 LYS 20 27.517 -2.658 -2.251
159 1HE LYS 20 HE2 LYS 20 26.482 -1.486 -0.279
160 2HE LYS 20 HE1 LYS 20 27.775 -0.290 -0.377
161 1HZ LYS 20 HZ1 LYS 20 26.864 0.662 -2.164
162 2HZ LYS 20 HZ2 LYS 20 25.439 -0.143 -1.706
163 3HZ LYS 20 HZ3 LYS 20 26.458 -0.818 -2.886
164 HN LYN 21 HN LYN 21 31.853 -1.024 1.029
165 HA LYN 21 HA LYN 21 31.814 0.327 3.576
166 HB1 LYN 21 HB1 LYN 21 34.444 -1.031 3.116
167 HB2 LYN 21 HB2 LYN 21 33.147 -1.945 3.886
168 HG1 LYN 21 HG1 LYN 21 33.909 0.818 4.838
169 HG2 LYN 21 HG2 LYN 21 34.744 -0.619 5.427
170 HD1 LYN 21 HD1 LYN 21 32.999 -1.207 6.745
171 HD2 LYN 21 HD2 LYN 21 31.830 -0.913 5.458
172 HE1 LYN 21 HE1 LYN 21 31.733 1.424 5.958
173 HE2 LYN 21 HE2 LYN 21 33.154 1.330 6.998
174 HZ1 LYN 21 HZ1 LYN 21 31.601 -0.436 8.195
175 HZ2 LYN 21 HZ2 LYN 21 30.396 0.569 7.542
176 HZ3 LYN 21 HZ3 LYN 21 31.572 1.215 8.584
177 H1 LYN 21 H1 LYN 21 31.559 1.437 1.081
178 H2 LYN 21 H2 LYN 21 32.966 2.276 0.636
Start of MODEL 15
1 1H HIS 1 HT1 HIS 1 0.168 1.833 0.391
2 2H HIS 1 HT2 HIS 1 1.773 2.166 0.837
3 3H HIS 1 HT3 HIS 1 0.991 0.782 1.437
4 HA HIS 1 HA HIS 1 0.894 -0.182 -0.756
5 1HB HIS 1 HB2 HIS 1 0.729 2.065 -1.904
6 2HB HIS 1 HB1 HIS 1 2.462 2.259 -1.640
7 HD1 HIS 1 HD1 HIS 1 0.154 -0.409 -3.120
8 HD2 HIS 1 HD2 HIS 1 3.924 1.256 -3.746
9 HE1 HIS 1 HE1 HIS 1 1.098 -1.531 -5.185
10 H SER 2 HN SER 2 3.822 1.838 -0.439
11 HA SER 2 HA SER 2 6.039 1.227 -0.018
12 1HB SER 2 HB2 SER 2 4.998 -1.188 1.448
13 2HB SER 2 HB1 SER 2 6.415 -0.206 1.809
14 HG SER 2 HG SER 2 3.864 0.082 2.637
15 H ASP 3 HN ASP 3 7.679 -0.319 -0.767
16 HA ASP 3 HA ASP 3 7.088 -2.884 -1.863
17 1HB ASP 3 HB2 ASP 3 5.778 -1.255 -3.406
18 2HB ASP 3 HB1 ASP 3 7.364 -0.838 -4.053
19 H GLY 4 HN GLY 4 9.265 -2.826 -0.603
20 1HA GLY 4 HA2 GLY 4 11.613 -3.031 -0.755
21 2HA GLY 4 HA1 GLY 4 11.461 -2.786 -2.498
22 H ILE 5 HN ILE 5 12.189 -0.875 -3.288
23 HA ILE 5 HA ILE 5 13.622 1.046 -1.963
24 HB ILE 5 HB ILE 5 13.525 1.280 -4.301
25 1HG1 ILE 5 HG12 ILE 5 11.828 3.497 -3.106
26 2HG1 ILE 5 HG11 ILE 5 13.585 3.487 -3.263
27 1HG2 ILE 5 HG21 ILE 5 10.523 1.356 -3.938
28 2HG2 ILE 5 HG22 ILE 5 11.475 0.104 -4.736
29 3HG2 ILE 5 HG23 ILE 5 11.327 1.701 -5.470
30 1HD1 ILE 5 HD11 ILE 5 13.454 3.558 -5.660
31 2HD1 ILE 5 HD12 ILE 5 12.356 4.799 -5.056
32 3HD1 ILE 5 HD13 ILE 5 11.715 3.261 -5.633
33 H PHE 6 HN PHE 6 10.134 0.698 -1.858
34 HA PHE 6 HA PHE 6 9.995 3.163 -0.180
35 1HB PHE 6 HB2 PHE 6 8.170 1.884 -2.098
36 2HB PHE 6 HB1 PHE 6 7.394 2.378 -0.591
37 HD1 PHE 6 HD1 PHE 6 7.892 4.763 0.274
38 HD2 PHE 6 HD2 PHE 6 8.653 3.473 -3.749
39 HE1 PHE 6 HE1 PHE 6 7.925 7.129 -0.478
40 HE2 PHE 6 HE2 PHE 6 8.686 5.837 -4.505
41 HZ PHE 6 HZ PHE 6 8.323 7.665 -2.868
42 H THR 7 HN THR 7 10.964 1.790 1.607
43 HA THR 7 HA THR 7 8.965 0.932 3.426
44 HB THR 7 HB THR 7 8.760 -0.975 1.841
45 HG1 THR 7 HG1 THR 7 8.479 -1.200 4.145
46 1HG2 THR 7 HG21 THR 7 11.576 -0.785 1.825
47 2HG2 THR 7 HG22 THR 7 10.577 -1.956 0.965
48 3HG2 THR 7 HG23 THR 7 11.188 -2.332 2.576
49 H ASP 8 HN ASP 8 10.826 -1.275 4.464
50 HA ASP 8 HA ASP 8 12.698 0.620 5.760
51 1HB ASP 8 HB2 ASP 8 11.427 -0.673 7.328
52 2HB ASP 8 HB1 ASP 8 11.785 -2.173 6.471
53 H SER 9 HN SER 9 12.859 -2.758 4.548
54 HA SER 9 HA SER 9 15.542 -3.242 4.521
55 1HB SER 9 HB2 SER 9 15.034 -4.088 2.013
56 2HB SER 9 HB1 SER 9 14.522 -4.963 3.449
57 HG SER 9 HG SER 9 12.524 -4.479 3.000
58 H TYR 10 HN TYR 10 14.014 -1.661 1.680
59 HA TYR 10 HA TYR 10 16.312 -0.863 0.353
60 1HB TYR 10 HB2 TYR 10 14.785 0.112 -0.972
61 2HB TYR 10 HB1 TYR 10 13.562 -0.262 0.225
62 HD1 TYR 10 HD1 TYR 10 15.800 2.350 -1.101
63 HD2 TYR 10 HD2 TYR 10 12.784 1.428 1.816
64 HE1 TYR 10 HE1 TYR 10 15.496 4.768 -0.646
65 HE2 TYR 10 HE2 TYR 10 12.480 3.845 2.269
66 HH TYR 10 HH TYR 10 14.634 6.251 0.915
67 H SER 11 HN SER 11 14.618 1.036 2.868
68 HA SER 11 HA SER 11 16.359 3.223 2.975
69 1HB SER 11 HB2 SER 11 14.292 3.072 4.297
70 2HB SER 11 HB1 SER 11 14.998 1.794 5.285
71 HG SER 11 HG SER 11 15.097 4.132 6.011
72 H ARG 12 HN ARG 12 16.723 0.031 4.486
73 HA ARG 12 HA ARG 12 19.334 0.768 5.619
74 1HB ARG 12 HB2 ARG 12 19.319 -1.362 6.662
75 2HB ARG 12 HB1 ARG 12 17.631 -0.861 6.674
76 1HG ARG 12 HG2 ARG 12 17.051 -2.341 4.957
77 2HG ARG 12 HG1 ARG 12 18.712 -2.524 4.404
78 1HD ARG 12 HD2 ARG 12 17.801 -4.498 5.701
79 2HD ARG 12 HD1 ARG 12 19.297 -3.819 6.341
80 HE ARG 12 HE ARG 12 16.630 -3.622 7.600
81 1HH1 ARG 12 HH11 ARG 12 19.625 -4.285 8.520
82 2HH1 ARG 12 HH12 ARG 12 19.823 -3.010 9.676
83 1HH2 ARG 12 HH21 ARG 12 17.008 -1.272 8.637
84 2HH2 ARG 12 HH22 ARG 12 18.342 -1.305 9.742
85 H TYR 13 HN TYR 13 18.077 -0.760 2.755
86 HA TYR 13 HA TYR 13 20.651 -1.959 2.016
87 1HB TYR 13 HB2 TYR 13 19.257 -3.261 0.809
88 2HB TYR 13 HB1 TYR 13 17.899 -2.225 1.221
89 HD1 TYR 13 HD1 TYR 13 17.832 0.083 -0.165
90 HD2 TYR 13 HD2 TYR 13 19.799 -3.516 -1.431
91 HE1 TYR 13 HE1 TYR 13 17.726 0.853 -2.514
92 HE2 TYR 13 HE2 TYR 13 19.696 -2.746 -3.782
93 HH TYR 13 HH TYR 13 19.164 0.338 -4.684
94 H ARG 14 HN ARG 14 18.770 0.907 1.274
95 HA ARG 14 HA ARG 14 20.115 1.885 -0.992
96 1HB ARG 14 HB2 ARG 14 18.126 2.968 0.175
97 2HB ARG 14 HB1 ARG 14 19.272 3.626 1.347
98 1HG ARG 14 HG2 ARG 14 20.543 4.452 -0.786
99 2HG ARG 14 HG1 ARG 14 18.979 4.255 -1.572
100 1HD ARG 14 HD2 ARG 14 18.015 5.972 -0.390
101 2HD ARG 14 HD1 ARG 14 18.992 5.670 1.047
102 HE ARG 14 HE ARG 14 19.875 7.229 -1.332
103 1HH1 ARG 14 HH11 ARG 14 19.584 7.379 1.947
104 2HH1 ARG 14 HH12 ARG 14 21.220 7.843 2.279
105 1HH2 ARG 14 HH21 ARG 14 22.323 7.247 -0.954
106 2HH2 ARG 14 HH22 ARG 14 22.771 7.768 0.636
107 H LYS 15 HN LYS 15 20.836 3.139 2.278
108 HA LYS 15 HA LYS 15 23.319 4.261 1.734
109 1HB LYS 15 HB2 LYS 15 22.323 2.836 4.209
110 2HB LYS 15 HB1 LYS 15 23.895 3.635 4.157
111 1HG LYS 15 HG2 LYS 15 22.654 5.427 4.876
112 2HG LYS 15 HG1 LYS 15 22.378 5.617 3.144
113 1HD LYS 15 HD2 LYS 15 20.204 4.914 3.275
114 2HD LYS 15 HD1 LYS 15 20.548 3.756 4.560
115 1HE LYS 15 HE2 LYS 15 20.709 6.708 5.114
116 2HE LYS 15 HE1 LYS 15 19.146 5.891 5.127
117 1HZ LYS 15 HZ1 LYS 15 19.926 5.764 7.312
118 2HZ LYS 15 HZ2 LYS 15 21.506 5.362 6.831
119 3HZ LYS 15 HZ3 LYS 15 20.249 4.231 6.663
120 H GLN 16 HN GLN 16 22.744 0.884 2.781
121 HA GLN 16 HA GLN 16 25.326 -0.112 2.820
122 1HB GLN 16 HB2 GLN 16 22.807 -1.374 1.710
123 2HB GLN 16 HB1 GLN 16 24.331 -2.254 1.812
124 1HG GLN 16 HG2 GLN 16 24.377 -2.161 4.164
125 2HG GLN 16 HG1 GLN 16 23.219 -0.831 4.225
126 1HE2 GLN 16 HE21 GLN 16 22.710 -3.606 2.090
127 2HE2 GLN 16 HE22 GLN 16 21.398 -4.254 2.951
128 H MET 17 HN MET 17 23.400 0.690 -0.036
129 HA MET 17 HA MET 17 24.822 -0.427 -2.116
130 1HB MET 17 HB2 MET 17 23.810 2.423 -1.913
131 2HB MET 17 HB1 MET 17 24.322 1.659 -3.419
132 1HG MET 17 HG2 MET 17 22.315 0.228 -1.725
133 2HG MET 17 HG1 MET 17 21.771 1.617 -2.665
134 1HE MET 17 HE1 MET 17 22.398 -2.556 -3.769
135 2HE MET 17 HE2 MET 17 22.670 -1.713 -2.246
136 3HE MET 17 HE3 MET 17 23.998 -1.906 -3.386
137 H ALA 18 HN ALA 18 25.604 2.920 -1.148
138 HA ALA 18 HA ALA 18 28.079 3.147 -2.344
139 1HB ALA 18 HB1 ALA 18 27.499 4.112 0.467
140 2HB ALA 18 HB2 ALA 18 26.933 4.928 -0.991
141 3HB ALA 18 HB3 ALA 18 28.662 4.798 -0.668
142 H VAL 19 HN VAL 19 27.652 2.048 1.020
143 HA VAL 19 HA VAL 19 30.207 1.305 1.702
144 HB VAL 19 HB VAL 19 27.562 -0.024 2.229
145 1HG1 VAL 19 HG11 VAL 19 30.254 -1.228 2.598
146 2HG1 VAL 19 HG12 VAL 19 28.685 -2.012 2.423
147 3HG1 VAL 19 HG13 VAL 19 29.162 -1.332 3.978
148 1HG2 VAL 19 HG21 VAL 19 29.618 0.989 4.195
149 2HG2 VAL 19 HG22 VAL 19 27.876 0.826 4.415
150 3HG2 VAL 19 HG23 VAL 19 28.519 2.099 3.377
151 H LYS 20 HN LYS 20 28.000 -0.876 -0.127
152 HA LYS 20 HA LYS 20 30.262 -2.622 -0.800
153 1HB LYS 20 HB2 LYS 20 27.482 -2.764 -1.973
154 2HB LYS 20 HB1 LYS 20 28.647 -4.072 -1.767
155 1HG LYS 20 HG2 LYS 20 28.327 -4.146 0.574
156 2HG LYS 20 HG1 LYS 20 27.562 -2.557 0.606
157 1HD LYS 20 HD2 LYS 20 26.401 -5.053 -0.669
158 2HD LYS 20 HD1 LYS 20 25.876 -4.336 0.854
159 1HE LYS 20 HE2 LYS 20 25.619 -2.161 -0.648
160 2HE LYS 20 HE1 LYS 20 25.475 -3.349 -1.943
161 1HZ LYS 20 HZ1 LYS 20 23.506 -4.076 -1.179
162 2HZ LYS 20 HZ2 LYS 20 23.431 -2.548 -0.440
163 3HZ LYS 20 HZ3 LYS 20 23.936 -3.903 0.452
164 HN LYN 21 HN LYN 21 29.251 -3.228 -3.496
165 HA LYN 21 HA LYN 21 29.673 -0.704 -4.982
166 HB1 LYN 21 HB1 LYN 21 31.478 -1.788 -6.359
167 HB2 LYN 21 HB2 LYN 21 31.504 -3.112 -5.194
168 HG1 LYN 21 HG1 LYN 21 33.240 -1.584 -4.541
169 HG2 LYN 21 HG2 LYN 21 31.918 -1.362 -3.395
170 HD1 LYN 21 HD1 LYN 21 31.114 0.498 -5.020
171 HD2 LYN 21 HD2 LYN 21 32.744 0.415 -5.689
172 HE1 LYN 21 HE1 LYN 21 32.093 0.871 -2.760
173 HE2 LYN 21 HE2 LYN 21 32.535 2.142 -3.901
174 HZ1 LYN 21 HZ1 LYN 21 34.193 -0.111 -2.937
175 HZ2 LYN 21 HZ2 LYN 21 34.512 1.554 -2.830
176 HZ3 LYN 21 HZ3 LYN 21 34.596 0.765 -4.332
177 H1 LYN 21 H1 LYN 21 27.261 -1.725 -5.171
178 H2 LYN 21 H2 LYN 21 27.032 -2.707 -6.536
Start of MODEL 16
1 1H HIS 1 HT1 HIS 1 2.050 1.945 2.008
2 2H HIS 1 HT2 HIS 1 2.028 0.683 0.870
3 3H HIS 1 HT3 HIS 1 0.677 1.698 1.044
4 HA HIS 1 HA HIS 1 1.824 2.359 -0.921
5 1HB HIS 1 HB2 HIS 1 0.917 4.133 0.620
6 2HB HIS 1 HB1 HIS 1 2.532 4.281 1.314
7 HD1 HIS 1 HD1 HIS 1 2.905 6.673 0.393
8 HD2 HIS 1 HD2 HIS 1 2.127 3.850 -2.574
9 HE1 HIS 1 HE1 HIS 1 3.455 7.785 -1.816
10 H SER 2 HN SER 2 3.810 2.838 -1.987
11 HA SER 2 HA SER 2 6.329 2.982 -0.602
12 1HB SER 2 HB2 SER 2 6.778 0.603 -2.035
13 2HB SER 2 HB1 SER 2 6.749 0.794 -0.285
14 HG SER 2 HG SER 2 4.858 -0.128 -0.238
15 H ASP 3 HN ASP 3 8.143 3.156 -2.165
16 HA ASP 3 HA ASP 3 7.522 3.103 -5.031
17 1HB ASP 3 HB2 ASP 3 6.621 5.318 -4.037
18 2HB ASP 3 HB1 ASP 3 8.320 5.763 -3.864
19 H GLY 4 HN GLY 4 9.445 1.546 -4.323
20 1HA GLY 4 HA2 GLY 4 11.754 1.148 -4.666
21 2HA GLY 4 HA1 GLY 4 11.919 2.832 -5.172
22 H ILE 5 HN ILE 5 12.966 4.172 -3.778
23 HA ILE 5 HA ILE 5 14.282 3.443 -1.474
24 HB ILE 5 HB ILE 5 14.720 5.606 -2.285
25 1HG1 ILE 5 HG12 ILE 5 14.477 5.303 0.305
26 2HG1 ILE 5 HG11 ILE 5 14.640 6.931 -0.349
27 1HG2 ILE 5 HG21 ILE 5 11.738 5.950 -2.095
28 2HG2 ILE 5 HG22 ILE 5 12.780 6.122 -3.507
29 3HG2 ILE 5 HG23 ILE 5 12.813 7.340 -2.232
30 1HD1 ILE 5 HD11 ILE 5 12.595 6.039 1.318
31 2HD1 ILE 5 HD12 ILE 5 11.853 6.051 -0.281
32 3HD1 ILE 5 HD13 ILE 5 12.579 7.522 0.364
33 H PHE 6 HN PHE 6 10.848 4.027 -1.777
34 HA PHE 6 HA PHE 6 10.560 3.648 1.168
35 1HB PHE 6 HB2 PHE 6 9.276 5.384 -0.688
36 2HB PHE 6 HB1 PHE 6 8.068 4.234 -0.110
37 HD1 PHE 6 HD1 PHE 6 7.477 4.097 2.253
38 HD2 PHE 6 HD2 PHE 6 10.414 6.895 0.847
39 HE1 PHE 6 HE1 PHE 6 7.356 5.310 4.415
40 HE2 PHE 6 HE2 PHE 6 10.294 8.111 3.006
41 HZ PHE 6 HZ PHE 6 8.765 7.317 4.792
42 H THR 7 HN THR 7 11.015 1.282 0.756
43 HA THR 7 HA THR 7 8.601 -0.231 0.684
44 HB THR 7 HB THR 7 8.698 0.334 -1.738
45 HG1 THR 7 HG1 THR 7 7.919 -1.720 -0.932
46 1HG2 THR 7 HG21 THR 7 10.631 0.261 -2.881
47 2HG2 THR 7 HG22 THR 7 10.881 -1.425 -2.427
48 3HG2 THR 7 HG23 THR 7 11.451 -0.133 -1.370
49 H ASP 8 HN ASP 8 10.054 -2.539 -0.671
50 HA ASP 8 HA ASP 8 11.695 -3.211 1.700
51 1HB ASP 8 HB2 ASP 8 9.886 -4.776 0.905
52 2HB ASP 8 HB1 ASP 8 10.831 -5.030 -0.563
53 H SER 9 HN SER 9 11.936 -3.626 -1.857
54 HA SER 9 HA SER 9 14.534 -4.404 -2.188
55 1HB SER 9 HB2 SER 9 14.487 -2.358 -3.999
56 2HB SER 9 HB1 SER 9 13.771 -3.941 -4.266
57 HG SER 9 HG SER 9 11.821 -3.132 -3.919
58 H TYR 10 HN TYR 10 13.725 -0.904 -1.973
59 HA TYR 10 HA TYR 10 16.308 0.074 -1.711
60 1HB TYR 10 HB2 TYR 10 15.221 2.000 -1.461
61 2HB TYR 10 HB1 TYR 10 13.719 1.096 -1.404
62 HD1 TYR 10 HD1 TYR 10 16.231 2.920 0.543
63 HD2 TYR 10 HD2 TYR 10 12.701 0.483 0.775
64 HE1 TYR 10 HE1 TYR 10 15.901 3.617 2.898
65 HE2 TYR 10 HE2 TYR 10 12.371 1.181 3.129
66 HH TYR 10 HH TYR 10 14.575 3.518 4.676
67 H SER 11 HN SER 11 14.204 -0.993 0.967
68 HA SER 11 HA SER 11 15.965 -0.529 3.083
69 1HB SER 11 HB2 SER 11 13.706 -1.385 3.429
70 2HB SER 11 HB1 SER 11 14.121 -2.898 2.627
71 HG SER 11 HG SER 11 14.228 -2.649 5.090
72 H ARG 12 HN ARG 12 15.938 -3.248 0.793
73 HA ARG 12 HA ARG 12 18.300 -4.464 2.046
74 1HB ARG 12 HB2 ARG 12 18.040 -6.225 0.476
75 2HB ARG 12 HB1 ARG 12 16.397 -5.733 0.870
76 1HG ARG 12 HG2 ARG 12 16.047 -4.759 -1.202
77 2HG ARG 12 HG1 ARG 12 17.756 -4.435 -1.471
78 1HD ARG 12 HD2 ARG 12 16.746 -6.320 -2.864
79 2HD ARG 12 HD1 ARG 12 18.211 -6.722 -1.969
80 HE ARG 12 HE ARG 12 15.480 -7.438 -0.976
81 1HH1 ARG 12 HH21 ARG 12 17.255 -9.330 -2.658
82 2HH1 ARG 12 HH22 ARG 12 17.930 -10.318 -1.405
83 1HH2 ARG 12 HH11 ARG 12 17.024 -8.159 1.152
84 2HH2 ARG 12 HH12 ARG 12 17.799 -9.655 0.751
85 H TYR 13 HN TYR 13 17.613 -2.270 -0.566
86 HA TYR 13 HA TYR 13 20.304 -2.553 -1.732
87 1HB TYR 13 HB2 TYR 13 19.078 -1.996 -3.552
88 2HB TYR 13 HB1 TYR 13 17.720 -1.493 -2.560
89 HD1 TYR 13 HD1 TYR 13 16.990 0.621 -3.233
90 HD2 TYR 13 HD2 TYR 13 21.206 -0.153 -2.992
91 HE1 TYR 13 HE1 TYR 13 17.454 2.979 -3.806
92 HE2 TYR 13 HE2 TYR 13 21.672 2.209 -3.566
93 HH TYR 13 HH TYR 13 20.502 4.401 -3.423
94 H ARG 14 HN ARG 14 18.576 -0.466 0.448
95 HA ARG 14 HA ARG 14 20.439 1.745 0.403
96 1HB ARG 14 HB2 ARG 14 18.020 1.724 1.333
97 2HB ARG 14 HB1 ARG 14 18.723 0.995 2.780
98 1HG ARG 14 HG2 ARG 14 20.440 3.024 2.472
99 2HG ARG 14 HG1 ARG 14 19.029 3.752 1.705
100 1HD ARG 14 HD2 ARG 14 17.704 3.045 3.765
101 2HD ARG 14 HD1 ARG 14 19.253 2.675 4.523
102 HE ARG 14 HE ARG 14 19.734 5.016 4.606
103 1HH1 ARG 14 HH21 ARG 14 17.390 4.516 2.200
104 2HH1 ARG 14 HH22 ARG 14 16.585 6.029 2.447
105 1HH2 ARG 14 HH11 ARG 14 18.466 6.876 5.234
106 2HH2 ARG 14 HH12 ARG 14 17.194 7.366 4.166
107 H LYS 15 HN LYS 15 19.871 -0.683 2.981
108 HA LYS 15 HA LYS 15 22.046 -0.202 4.601
109 1HB LYS 15 HB2 LYS 15 20.728 -2.779 3.783
110 2HB LYS 15 HB1 LYS 15 22.147 -2.814 4.831
111 1HG LYS 15 HG2 LYS 15 20.617 -2.554 6.500
112 2HG LYS 15 HG1 LYS 15 20.686 -0.854 6.034
113 1HD LYS 15 HD2 LYS 15 18.757 -1.099 4.599
114 2HD LYS 15 HD1 LYS 15 18.751 -2.848 4.828
115 1HE LYS 15 HE2 LYS 15 18.713 -1.534 7.396
116 2HE LYS 15 HE1 LYS 15 17.402 -0.915 6.390
117 1HZ LYS 15 HZ1 LYS 15 16.349 -2.875 6.412
118 2HZ LYS 15 HZ2 LYS 15 17.289 -3.196 7.790
119 3HZ LYS 15 HZ3 LYS 15 17.778 -3.778 6.270
120 H GLN 16 HN GLN 16 22.125 -2.189 1.630
121 HA GLN 16 HA GLN 16 24.746 -3.072 1.629
122 1HB GLN 16 HB2 GLN 16 23.141 -1.912 -0.663
123 2HB GLN 16 HB1 GLN 16 24.717 -2.669 -0.890
124 1HG GLN 16 HG2 GLN 16 22.206 -3.957 0.210
125 2HG GLN 16 HG1 GLN 16 23.060 -4.372 -1.276
126 1HE2 GLN 16 HE21 GLN 16 22.595 -5.567 1.738
127 2HE2 GLN 16 HE22 GLN 16 24.093 -6.320 2.003
128 H MET 17 HN MET 17 23.620 0.217 0.935
129 HA MET 17 HA MET 17 25.894 1.454 -0.034
130 1HB MET 17 HB2 MET 17 23.980 2.441 2.095
131 2HB MET 17 HB1 MET 17 25.197 3.468 1.335
132 1HG MET 17 HG2 MET 17 23.117 1.909 -0.221
133 2HG MET 17 HG1 MET 17 22.915 3.594 0.259
134 1HE MET 17 HE1 MET 17 24.599 1.501 -2.944
135 2HE MET 17 HE2 MET 17 23.517 2.783 -3.481
136 3HE MET 17 HE3 MET 17 23.023 1.715 -2.170
137 H ALA 18 HN ALA 18 25.243 1.608 3.473
138 HA ALA 18 HA ALA 18 27.744 2.312 4.370
139 1HB ALA 18 HB1 ALA 18 25.729 0.407 5.544
140 2HB ALA 18 HB2 ALA 18 26.086 2.064 6.030
141 3HB ALA 18 HB3 ALA 18 27.233 0.774 6.389
142 H VAL 19 HN VAL 19 26.721 -1.087 4.024
143 HA VAL 19 HA VAL 19 29.045 -2.441 4.577
144 HB VAL 19 HB VAL 19 26.976 -2.875 2.438
145 1HG1 VAL 19 HG11 VAL 19 29.547 -4.435 2.795
146 2HG1 VAL 19 HG12 VAL 19 28.918 -3.715 1.313
147 3HG1 VAL 19 HG13 VAL 19 28.117 -5.118 2.020
148 1HG2 VAL 19 HG21 VAL 19 26.283 -4.639 3.834
149 2HG2 VAL 19 HG22 VAL 19 26.805 -3.413 4.990
150 3HG2 VAL 19 HG23 VAL 19 27.862 -4.772 4.608
151 H LYS 20 HN LYS 20 28.361 -1.047 1.328
152 HA LYS 20 HA LYS 20 31.108 -1.496 0.468
153 1HB LYS 20 HB2 LYS 20 29.052 0.311 -0.826
154 2HB LYS 20 HB1 LYS 20 30.438 -0.466 -1.593
155 1HG LYS 20 HG2 LYS 20 29.460 -2.656 -1.303
156 2HG LYS 20 HG1 LYS 20 28.155 -1.994 -0.318
157 1HD LYS 20 HD2 LYS 20 28.547 -0.892 -3.072
158 2HD LYS 20 HD1 LYS 20 27.792 -2.478 -2.905
159 1HE LYS 20 HE2 LYS 20 26.413 -1.144 -1.011
160 2HE LYS 20 HE1 LYS 20 26.774 0.198 -2.097
161 1HZ LYS 20 HZ1 LYS 20 24.674 -1.014 -2.597
162 2HZ LYS 20 HZ2 LYS 20 25.608 -2.374 -3.002
163 3HZ LYS 20 HZ3 LYS 20 25.761 -0.938 -3.897
164 HN LYN 21 HN LYN 21 31.547 1.010 -0.875
165 HA LYN 21 HA LYN 21 31.421 3.229 0.947
166 HB1 LYN 21 HB1 LYN 21 34.259 2.446 0.746
167 HB2 LYN 21 HB2 LYN 21 33.280 1.389 1.764
168 HG1 LYN 21 HG1 LYN 21 32.709 4.232 2.192
169 HG2 LYN 21 HG2 LYN 21 34.385 3.810 2.547
170 HD1 LYN 21 HD1 LYN 21 33.799 2.615 4.384
171 HD2 LYN 21 HD2 LYN 21 32.449 1.843 3.554
172 HE1 LYN 21 HE1 LYN 21 31.089 3.163 4.785
173 HE2 LYN 21 HE2 LYN 21 31.668 4.515 3.811
174 HZ1 LYN 21 HZ1 LYN 21 33.413 3.683 5.972
175 HZ2 LYN 21 HZ2 LYN 21 31.939 4.376 6.454
176 HZ3 LYN 21 HZ3 LYN 21 32.999 5.243 5.449
177 H1 LYN 21 H1 LYN 21 33.663 4.698 0.146
178 H2 LYN 21 H2 LYN 21 33.673 4.863 -1.543
Start of MODEL 17
1 1H HIS 1 HT1 HIS 1 5.915 1.484 2.350
2 2H HIS 1 HT2 HIS 1 6.307 3.008 1.709
3 3H HIS 1 HT3 HIS 1 6.909 1.596 0.981
4 HA HIS 1 HA HIS 1 4.015 1.806 1.207
5 1HB HIS 1 HB2 HIS 1 4.427 4.052 0.503
6 2HB HIS 1 HB1 HIS 1 5.720 3.549 -0.585
7 HD1 HIS 1 HD1 HIS 1 2.781 1.344 -0.665
8 HD2 HIS 1 HD2 HIS 1 4.040 4.768 -2.681
9 HE1 HIS 1 HE1 HIS 1 1.337 1.527 -2.737
10 H SER 2 HN SER 2 5.732 1.971 -1.825
11 HA SER 2 HA SER 2 6.252 -0.834 -2.158
12 1HB SER 2 HB2 SER 2 3.602 0.219 -3.126
13 2HB SER 2 HB1 SER 2 4.373 -1.184 -3.858
14 HG SER 2 HG SER 2 2.829 -1.356 -1.904
15 H ASP 3 HN ASP 3 7.321 1.882 -2.826
16 HA ASP 3 HA ASP 3 7.495 1.503 -5.790
17 1HB ASP 3 HB2 ASP 3 6.229 3.526 -5.095
18 2HB ASP 3 HB1 ASP 3 7.669 4.113 -4.274
19 H GLY 4 HN GLY 4 9.312 0.136 -4.293
20 1HA GLY 4 HA2 GLY 4 11.669 -0.171 -4.320
21 2HA GLY 4 HA1 GLY 4 11.818 1.381 -5.145
22 H ILE 5 HN ILE 5 12.455 3.146 -3.952
23 HA ILE 5 HA ILE 5 13.746 3.053 -1.547
24 HB ILE 5 HB ILE 5 13.774 5.137 -2.636
25 1HG1 ILE 5 HG12 ILE 5 13.460 5.152 -0.042
26 2HG1 ILE 5 HG11 ILE 5 13.306 6.672 -0.920
27 1HG2 ILE 5 HG21 ILE 5 10.774 4.883 -2.588
28 2HG2 ILE 5 HG22 ILE 5 11.843 5.081 -3.977
29 3HG2 ILE 5 HG23 ILE 5 11.557 6.435 -2.884
30 1HD1 ILE 5 HD11 ILE 5 10.771 5.230 -0.797
31 2HD1 ILE 5 HD12 ILE 5 11.136 6.892 -0.333
32 3HD1 ILE 5 HD13 ILE 5 11.411 5.577 0.809
33 H PHE 6 HN PHE 6 10.268 2.971 -1.970
34 HA PHE 6 HA PHE 6 9.983 2.788 0.999
35 1HB PHE 6 HB2 PHE 6 8.445 4.125 -1.024
36 2HB PHE 6 HB1 PHE 6 7.439 2.888 -0.267
37 HD1 PHE 6 HD1 PHE 6 7.599 6.118 -0.057
38 HD2 PHE 6 HD2 PHE 6 8.694 2.812 2.455
39 HE1 PHE 6 HE1 PHE 6 7.339 7.558 1.946
40 HE2 PHE 6 HE2 PHE 6 8.434 4.250 4.460
41 HZ PHE 6 HZ PHE 6 7.756 6.623 4.206
42 H THR 7 HN THR 7 10.841 0.499 0.705
43 HA THR 7 HA THR 7 8.697 -1.379 0.743
44 HB THR 7 HB THR 7 8.734 -0.960 -1.712
45 HG1 THR 7 HG1 THR 7 8.568 -3.066 -2.165
46 1HG2 THR 7 HG21 THR 7 11.535 -1.045 -1.309
47 2HG2 THR 7 HG22 THR 7 10.674 -0.806 -2.830
48 3HG2 THR 7 HG23 THR 7 11.128 -2.431 -2.320
49 H ASP 8 HN ASP 8 10.587 -3.476 -0.500
50 HA ASP 8 HA ASP 8 12.228 -3.740 1.955
51 1HB ASP 8 HB2 ASP 8 10.830 -5.659 1.451
52 2HB ASP 8 HB1 ASP 8 11.476 -5.744 -0.188
53 H SER 9 HN SER 9 12.661 -4.426 -1.543
54 HA SER 9 HA SER 9 15.362 -4.780 -1.716
55 1HB SER 9 HB2 SER 9 15.159 -3.128 -3.802
56 2HB SER 9 HB1 SER 9 14.471 -4.746 -3.815
57 HG SER 9 HG SER 9 13.200 -2.492 -4.149
58 H TYR 10 HN TYR 10 13.995 -1.458 -1.964
59 HA TYR 10 HA TYR 10 16.350 -0.021 -1.778
60 1HB TYR 10 HB2 TYR 10 14.904 1.697 -1.693
61 2HB TYR 10 HB1 TYR 10 13.602 0.537 -1.512
62 HD1 TYR 10 HD1 TYR 10 12.650 0.033 0.689
63 HD2 TYR 10 HD2 TYR 10 15.829 2.888 0.246
64 HE1 TYR 10 HE1 TYR 10 12.218 0.867 2.982
65 HE2 TYR 10 HE2 TYR 10 15.396 3.722 2.540
66 HH TYR 10 HH TYR 10 13.777 2.119 4.804
67 H SER 11 HN SER 11 14.413 -1.167 0.993
68 HA SER 11 HA SER 11 16.017 -0.271 3.089
69 1HB SER 11 HB2 SER 11 13.903 -1.462 3.441
70 2HB SER 11 HB1 SER 11 14.616 -2.950 2.821
71 HG SER 11 HG SER 11 14.574 -2.294 5.269
72 H ARG 12 HN ARG 12 16.362 -3.364 1.328
73 HA ARG 12 HA ARG 12 18.911 -3.973 2.585
74 1HB ARG 12 HB2 ARG 12 18.956 -5.892 1.168
75 2HB ARG 12 HB1 ARG 12 17.253 -5.649 1.547
76 1HG ARG 12 HG2 ARG 12 16.789 -4.751 -0.580
77 2HG ARG 12 HG1 ARG 12 18.488 -4.453 -0.935
78 1HD ARG 12 HD2 ARG 12 17.457 -7.245 -0.454
79 2HD ARG 12 HD1 ARG 12 17.381 -6.503 -2.052
80 HE ARG 12 HE ARG 12 20.023 -6.151 -1.205
81 1HH1 ARG 12 HH11 ARG 12 18.293 -8.941 -0.553
82 2HH1 ARG 12 HH12 ARG 12 19.305 -10.001 -1.477
83 1HH2 ARG 12 HH21 ARG 12 21.143 -7.431 -2.907
84 2HH2 ARG 12 HH22 ARG 12 20.918 -9.146 -2.810
85 H TYR 13 HN TYR 13 17.847 -2.112 -0.112
86 HA TYR 13 HA TYR 13 20.516 -2.044 -1.365
87 1HB TYR 13 HB2 TYR 13 19.147 -1.835 -3.158
88 2HB TYR 13 HB1 TYR 13 17.764 -1.443 -2.147
89 HD1 TYR 13 HD1 TYR 13 20.015 -0.209 -4.578
90 HD2 TYR 13 HD2 TYR 13 17.765 1.003 -1.126
91 HE1 TYR 13 HE1 TYR 13 20.160 2.154 -5.313
92 HE2 TYR 13 HE2 TYR 13 17.911 3.365 -1.860
93 HH TYR 13 HH TYR 13 19.813 4.291 -4.711
94 H ARG 14 HN ARG 14 19.145 -0.588 1.259
95 HA ARG 14 HA ARG 14 20.391 2.065 0.754
96 1HB ARG 14 HB2 ARG 14 18.008 1.566 1.850
97 2HB ARG 14 HB1 ARG 14 18.984 1.427 3.313
98 1HG ARG 14 HG2 ARG 14 20.059 3.676 2.432
99 2HG ARG 14 HG1 ARG 14 18.532 3.814 1.559
100 1HD ARG 14 HD2 ARG 14 17.365 3.365 3.779
101 2HD ARG 14 HD1 ARG 14 18.936 3.585 4.548
102 HE ARG 14 HE ARG 14 18.740 5.871 3.090
103 1HH1 ARG 14 HH11 ARG 14 17.881 5.224 6.100
104 2HH1 ARG 14 HH12 ARG 14 16.443 6.187 6.169
105 1HH2 ARG 14 HH21 ARG 14 16.289 6.679 2.740
106 2HH2 ARG 14 HH22 ARG 14 15.542 7.011 4.267
107 H LYS 15 HN LYS 15 20.173 0.043 3.699
108 HA LYS 15 HA LYS 15 22.458 0.932 4.984
109 1HB LYS 15 HB2 LYS 15 21.250 -1.834 4.838
110 2HB LYS 15 HB1 LYS 15 22.649 -1.489 5.856
111 1HG LYS 15 HG2 LYS 15 21.012 -1.006 7.392
112 2HG LYS 15 HG1 LYS 15 21.070 0.566 6.593
113 1HD LYS 15 HD2 LYS 15 19.124 0.162 5.361
114 2HD LYS 15 HD1 LYS 15 19.275 -1.589 5.512
115 1HE LYS 15 HE2 LYS 15 17.557 -1.120 7.029
116 2HE LYS 15 HE1 LYS 15 18.977 -1.130 8.074
117 1HZ LYS 15 HZ1 LYS 15 18.325 1.406 6.813
118 2HZ LYS 15 HZ2 LYS 15 18.882 1.083 8.386
119 3HZ LYS 15 HZ3 LYS 15 17.240 0.870 8.001
120 H GLN 16 HN GLN 16 22.337 -1.745 2.612
121 HA GLN 16 HA GLN 16 25.008 -2.484 2.531
122 1HB GLN 16 HB2 GLN 16 23.077 -2.108 0.226
123 2HB GLN 16 HB1 GLN 16 24.663 -2.855 0.039
124 1HG GLN 16 HG2 GLN 16 22.358 -3.830 1.742
125 2HG GLN 16 HG1 GLN 16 23.106 -4.649 0.371
126 1HE2 GLN 16 HE21 GLN 16 22.885 -5.457 3.325
127 2HE2 GLN 16 HE22 GLN 16 24.484 -5.801 3.782
128 H MET 17 HN MET 17 23.563 0.455 1.206
129 HA MET 17 HA MET 17 25.578 1.440 -0.427
130 1HB MET 17 HB2 MET 17 23.994 2.971 1.657
131 2HB MET 17 HB1 MET 17 24.916 3.717 0.351
132 1HG MET 17 HG2 MET 17 23.038 1.587 -0.485
133 2HG MET 17 HG1 MET 17 22.286 3.053 0.142
134 1HE MET 17 HE1 MET 17 21.728 3.913 -3.403
135 2HE MET 17 HE2 MET 17 21.455 4.704 -1.853
136 3HE MET 17 HE3 MET 17 21.182 2.970 -2.010
137 H ALA 18 HN ALA 18 25.429 2.618 2.933
138 HA ALA 18 HA ALA 18 28.023 3.532 3.167
139 1HB ALA 18 HB1 ALA 18 26.237 2.172 5.175
140 2HB ALA 18 HB2 ALA 18 26.643 3.883 5.048
141 3HB ALA 18 HB3 ALA 18 27.846 2.732 5.630
142 H VAL 19 HN VAL 19 27.022 0.236 4.086
143 HA VAL 19 HA VAL 19 29.431 -0.944 4.685
144 HB VAL 19 HB VAL 19 27.065 -1.972 3.138
145 1HG1 VAL 19 HG11 VAL 19 28.770 -3.229 2.062
146 2HG1 VAL 19 HG12 VAL 19 28.202 -4.275 3.364
147 3HG1 VAL 19 HG13 VAL 19 29.710 -3.377 3.548
148 1HG2 VAL 19 HG21 VAL 19 27.021 -3.517 5.148
149 2HG2 VAL 19 HG22 VAL 19 26.814 -1.809 5.537
150 3HG2 VAL 19 HG23 VAL 19 28.372 -2.592 5.805
151 H LYS 20 HN LYS 20 28.223 -0.615 1.308
152 HA LYS 20 HA LYS 20 30.844 -1.377 0.250
153 1HB LYS 20 HB2 LYS 20 28.567 -0.143 -1.309
154 2HB LYS 20 HB1 LYS 20 29.836 -1.216 -1.900
155 1HG LYS 20 HG2 LYS 20 28.920 -3.096 -0.749
156 2HG LYS 20 HG1 LYS 20 27.840 -2.075 0.202
157 1HD LYS 20 HD2 LYS 20 27.700 -2.367 -2.813
158 2HD LYS 20 HD1 LYS 20 26.672 -3.244 -1.679
159 1HE LYS 20 HE2 LYS 20 25.264 -1.486 -1.737
160 2HE LYS 20 HE1 LYS 20 26.495 -0.566 -0.872
161 1HZ LYS 20 HZ1 LYS 20 26.538 -0.867 -3.814
162 2HZ LYS 20 HZ2 LYS 20 27.366 0.268 -2.859
163 3HZ LYS 20 HZ3 LYS 20 25.682 0.384 -3.054
164 HN LYN 21 HN LYN 21 31.249 0.788 1.894
165 HA LYN 21 HA LYN 21 32.518 2.673 0.153
166 HB1 LYN 21 HB1 LYN 21 29.955 3.614 1.474
167 HB2 LYN 21 HB2 LYN 21 30.228 3.453 -0.262
168 HG1 LYN 21 HG1 LYN 21 31.277 5.451 -0.356
169 HG2 LYN 21 HG2 LYN 21 32.318 5.038 1.007
170 HD1 LYN 21 HD1 LYN 21 30.387 5.563 2.538
171 HD2 LYN 21 HD2 LYN 21 29.496 6.143 1.131
172 HE1 LYN 21 HE1 LYN 21 30.479 8.147 1.461
173 HE2 LYN 21 HE2 LYN 21 31.995 7.399 0.960
174 HZ1 LYN 21 HZ1 LYN 21 30.939 7.492 3.734
175 HZ2 LYN 21 HZ2 LYN 21 32.212 8.437 3.123
176 HZ3 LYN 21 HZ3 LYN 21 32.389 6.752 3.258
177 H1 LYN 21 H1 LYN 21 30.882 3.784 3.091
178 H2 LYN 21 H2 LYN 21 32.270 3.795 4.066
Start of MODEL 18
1 1H HIS 1 HT1 HIS 1 4.989 5.792 3.000
2 2H HIS 1 HT2 HIS 1 5.145 7.484 3.036
3 3H HIS 1 HT3 HIS 1 6.377 6.528 2.362
4 HA HIS 1 HA HIS 1 3.676 7.062 1.280
5 1HB HIS 1 HB2 HIS 1 5.682 8.588 0.830
6 2HB HIS 1 HB1 HIS 1 6.386 7.233 -0.052
7 HD1 HIS 1 HD1 HIS 1 5.991 9.277 -1.987
8 HD2 HIS 1 HD2 HIS 1 2.696 7.056 -0.729
9 HE1 HIS 1 HE1 HIS 1 4.216 9.555 -3.772
10 H SER 2 HN SER 2 6.146 4.678 1.665
11 HA SER 2 HA SER 2 6.310 2.485 0.839
12 1HB SER 2 HB2 SER 2 3.465 3.003 -0.042
13 2HB SER 2 HB1 SER 2 4.243 1.427 0.065
14 HG SER 2 HG SER 2 4.384 1.672 2.273
15 H ASP 3 HN ASP 3 7.732 3.833 -0.776
16 HA ASP 3 HA ASP 3 6.809 3.082 -3.504
17 1HB ASP 3 HB2 ASP 3 6.210 5.430 -3.238
18 2HB ASP 3 HB1 ASP 3 7.842 5.806 -2.701
19 H GLY 4 HN GLY 4 8.589 1.480 -2.437
20 1HA GLY 4 HA2 GLY 4 10.750 0.615 -2.882
21 2HA GLY 4 HA1 GLY 4 11.036 2.006 -3.932
22 H ILE 5 HN ILE 5 12.275 3.675 -3.152
23 HA ILE 5 HA ILE 5 14.016 3.499 -1.043
24 HB ILE 5 HB ILE 5 14.259 5.385 -2.432
25 1HG1 ILE 5 HG12 ILE 5 14.539 5.743 0.143
26 2HG1 ILE 5 HG11 ILE 5 14.541 7.153 -0.913
27 1HG2 ILE 5 HG21 ILE 5 11.361 5.863 -1.782
28 2HG2 ILE 5 HG22 ILE 5 12.127 5.689 -3.361
29 3HG2 ILE 5 HG23 ILE 5 12.370 7.161 -2.421
30 1HD1 ILE 5 HD11 ILE 5 12.660 7.973 0.033
31 2HD1 ILE 5 HD12 ILE 5 12.880 6.758 1.292
32 3HD1 ILE 5 HD13 ILE 5 11.838 6.417 -0.088
33 H PHE 6 HN PHE 6 10.593 4.211 -0.799
34 HA PHE 6 HA PHE 6 10.921 4.455 2.160
35 1HB PHE 6 HB2 PHE 6 9.342 5.906 0.269
36 2HB PHE 6 HB1 PHE 6 8.250 5.038 1.349
37 HD1 PHE 6 HD1 PHE 6 8.612 5.241 3.867
38 HD2 PHE 6 HD2 PHE 6 10.528 7.808 1.007
39 HE1 PHE 6 HE1 PHE 6 9.088 6.886 5.662
40 HE2 PHE 6 HE2 PHE 6 11.004 9.455 2.800
41 HZ PHE 6 HZ PHE 6 10.284 8.993 5.129
42 H THR 7 HN THR 7 11.161 2.012 2.127
43 HA THR 7 HA THR 7 8.728 0.749 2.872
44 HB THR 7 HB THR 7 8.258 0.856 0.442
45 HG1 THR 7 HG1 THR 7 7.609 -0.952 1.765
46 1HG2 THR 7 HG21 THR 7 9.906 0.515 -1.039
47 2HG2 THR 7 HG22 THR 7 10.063 -1.150 -0.480
48 3HG2 THR 7 HG23 THR 7 11.011 0.128 0.280
49 H ASP 8 HN ASP 8 9.804 -1.874 1.592
50 HA ASP 8 HA ASP 8 11.842 -2.279 3.710
51 1HB ASP 8 HB2 ASP 8 10.032 -3.849 3.850
52 2HB ASP 8 HB1 ASP 8 10.137 -4.209 2.126
53 H SER 9 HN SER 9 11.317 -3.440 0.350
54 HA SER 9 HA SER 9 13.760 -4.476 -0.283
55 1HB SER 9 HB2 SER 9 13.466 -3.028 -2.517
56 2HB SER 9 HB1 SER 9 12.475 -4.436 -2.162
57 HG SER 9 HG SER 9 11.698 -1.931 -2.504
58 H TYR 10 HN TYR 10 13.154 -0.966 -0.784
59 HA TYR 10 HA TYR 10 15.748 -0.146 -1.272
60 1HB TYR 10 HB2 TYR 10 14.750 1.866 -1.192
61 2HB TYR 10 HB1 TYR 10 13.315 1.086 -0.561
62 HD1 TYR 10 HD1 TYR 10 12.778 1.143 1.811
63 HD2 TYR 10 HD2 TYR 10 16.378 2.949 0.321
64 HE1 TYR 10 HE1 TYR 10 13.084 2.313 3.975
65 HE2 TYR 10 HE2 TYR 10 16.685 4.119 2.485
66 HH TYR 10 HH TYR 10 14.931 4.881 4.428
67 H SER 11 HN SER 11 14.265 -0.440 1.961
68 HA SER 11 HA SER 11 16.446 0.232 3.552
69 1HB SER 11 HB2 SER 11 14.262 -0.332 4.487
70 2HB SER 11 HB1 SER 11 14.439 -2.006 3.965
71 HG SER 11 HG SER 11 15.022 -1.422 6.234
72 H ARG 12 HN ARG 12 15.704 -3.006 2.233
73 HA ARG 12 HA ARG 12 18.262 -4.100 3.090
74 1HB ARG 12 HB2 ARG 12 17.570 -6.113 2.014
75 2HB ARG 12 HB1 ARG 12 16.088 -5.412 2.655
76 1HG ARG 12 HG2 ARG 12 15.373 -4.687 0.539
77 2HG ARG 12 HG1 ARG 12 16.980 -4.825 -0.167
78 1HD ARG 12 HD2 ARG 12 16.138 -7.372 0.912
79 2HD ARG 12 HD1 ARG 12 14.934 -6.759 -0.221
80 HE ARG 12 HE ARG 12 17.788 -6.790 -1.058
81 1HH1 ARG 12 HH11 ARG 12 16.376 -9.496 -1.025
82 2HH1 ARG 12 HH12 ARG 12 15.802 -9.591 -2.657
83 1HH2 ARG 12 HH21 ARG 12 16.257 -6.213 -3.294
84 2HH2 ARG 12 HH22 ARG 12 15.735 -7.733 -3.941
85 H TYR 13 HN TYR 13 17.077 -2.341 0.373
86 HA TYR 13 HA TYR 13 19.359 -3.080 -1.342
87 1HB TYR 13 HB2 TYR 13 17.728 -2.726 -2.873
88 2HB TYR 13 HB1 TYR 13 16.707 -1.914 -1.695
89 HD1 TYR 13 HD1 TYR 13 18.581 -1.508 -4.660
90 HD2 TYR 13 HD2 TYR 13 17.463 0.553 -1.061
91 HE1 TYR 13 HE1 TYR 13 19.064 0.663 -5.753
92 HE2 TYR 13 HE2 TYR 13 17.947 2.724 -2.153
93 HH TYR 13 HH TYR 13 19.108 2.865 -5.527
94 H ARG 14 HN ARG 14 18.947 -1.048 1.224
95 HA ARG 14 HA ARG 14 20.558 1.174 0.096
96 1HB ARG 14 HB2 ARG 14 18.505 1.358 1.757
97 2HB ARG 14 HB1 ARG 14 19.737 1.030 2.976
98 1HG ARG 14 HG2 ARG 14 21.050 2.901 1.566
99 2HG ARG 14 HG1 ARG 14 19.398 3.412 1.219
100 1HD ARG 14 HD2 ARG 14 18.902 3.771 3.498
101 2HD ARG 14 HD1 ARG 14 20.274 2.804 4.039
102 HE ARG 14 HE ARG 14 21.691 4.707 2.990
103 1HH1 ARG 14 HH21 ARG 14 18.632 5.799 2.724
104 2HH1 ARG 14 HH22 ARG 14 18.779 7.144 3.805
105 1HH2 ARG 14 HH11 ARG 14 21.848 6.137 5.064
106 2HH2 ARG 14 HH12 ARG 14 20.600 7.336 5.130
107 H LYS 15 HN LYS 15 20.721 -0.555 3.226
108 HA LYS 15 HA LYS 15 23.357 -0.095 3.874
109 1HB LYS 15 HB2 LYS 15 21.667 -2.568 4.225
110 2HB LYS 15 HB1 LYS 15 23.322 -2.505 4.832
111 1HG LYS 15 HG2 LYS 15 22.193 -1.704 6.687
112 2HG LYS 15 HG1 LYS 15 22.494 -0.186 5.839
113 1HD LYS 15 HD2 LYS 15 20.291 -0.035 5.055
114 2HD LYS 15 HD1 LYS 15 19.996 -1.761 5.267
115 1HE LYS 15 HE2 LYS 15 18.893 -1.006 7.137
116 2HE LYS 15 HE1 LYS 15 20.513 -1.120 7.824
117 1HZ LYS 15 HZ1 LYS 15 20.871 1.185 7.432
118 2HZ LYS 15 HZ2 LYS 15 19.380 1.032 8.231
119 3HZ LYS 15 HZ3 LYS 15 19.424 1.332 6.560
120 H GLN 16 HN GLN 16 22.199 -2.636 1.652
121 HA GLN 16 HA GLN 16 24.531 -4.002 1.074
122 1HB GLN 16 HB2 GLN 16 22.387 -3.020 -0.827
123 2HB GLN 16 HB1 GLN 16 23.692 -4.088 -1.339
124 1HG GLN 16 HG2 GLN 16 21.600 -4.649 0.778
125 2HG GLN 16 HG1 GLN 16 21.808 -5.481 -0.763
126 1HE2 GLN 16 HE21 GLN 16 21.969 -6.642 2.005
127 2HE2 GLN 16 HE22 GLN 16 23.515 -7.334 2.116
128 H MET 17 HN MET 17 23.587 -0.841 -0.300
129 HA MET 17 HA MET 17 25.672 -0.364 -2.056
130 1HB MET 17 HB2 MET 17 24.530 1.579 -0.026
131 2HB MET 17 HB1 MET 17 25.493 2.041 -1.430
132 1HG MET 17 HG2 MET 17 23.786 0.852 -2.873
133 2HG MET 17 HG1 MET 17 22.785 0.687 -1.430
134 1HE MET 17 HE1 MET 17 21.278 3.388 -3.827
135 2HE MET 17 HE2 MET 17 20.655 2.344 -2.551
136 3HE MET 17 HE3 MET 17 21.738 1.681 -3.773
137 H ALA 18 HN ALA 18 25.911 1.012 1.222
138 HA ALA 18 HA ALA 18 28.638 1.431 1.306
139 1HB ALA 18 HB1 ALA 18 27.033 0.280 3.604
140 2HB ALA 18 HB2 ALA 18 27.042 1.985 3.150
141 3HB ALA 18 HB3 ALA 18 28.521 1.218 3.731
142 H VAL 19 HN VAL 19 27.083 -1.563 2.459
143 HA VAL 19 HA VAL 19 29.242 -3.150 3.055
144 HB VAL 19 HB VAL 19 26.674 -3.784 1.622
145 1HG1 VAL 19 HG11 VAL 19 28.151 -5.365 0.583
146 2HG1 VAL 19 HG12 VAL 19 27.321 -6.234 1.874
147 3HG1 VAL 19 HG13 VAL 19 28.981 -5.686 2.106
148 1HG2 VAL 19 HG21 VAL 19 26.101 -4.829 3.672
149 2HG2 VAL 19 HG22 VAL 19 26.984 -3.384 4.163
150 3HG2 VAL 19 HG23 VAL 19 27.786 -4.954 4.176
151 H LYS 20 HN LYS 20 28.004 -2.756 -0.302
152 HA LYS 20 HA LYS 20 30.350 -4.093 -1.407
153 1HB LYS 20 HB2 LYS 20 28.356 -2.389 -2.914
154 2HB LYS 20 HB1 LYS 20 29.345 -3.709 -3.540
155 1HG LYS 20 HG2 LYS 20 28.108 -5.338 -2.255
156 2HG LYS 20 HG1 LYS 20 27.230 -4.069 -1.400
157 1HD LYS 20 HD2 LYS 20 27.101 -4.490 -4.399
158 2HD LYS 20 HD1 LYS 20 25.910 -5.123 -3.262
159 1HE LYS 20 HE2 LYS 20 24.844 -3.144 -3.319
160 2HE LYS 20 HE1 LYS 20 26.274 -2.380 -2.626
161 1HZ LYS 20 HZ1 LYS 20 27.157 -2.006 -4.787
162 2HZ LYS 20 HZ2 LYS 20 25.555 -1.441 -4.793
163 3HZ LYS 20 HZ3 LYS 20 25.937 -2.927 -5.522
164 HN LYN 21 HN LYN 21 31.364 -2.089 0.147
165 HA LYN 21 HA LYN 21 32.427 -0.208 -1.903
166 HB1 LYN 21 HB1 LYN 21 32.336 1.623 -0.193
167 HB2 LYN 21 HB2 LYN 21 31.409 0.547 0.853
168 HG1 LYN 21 HG1 LYN 21 29.510 0.973 -0.288
169 HG2 LYN 21 HG2 LYN 21 30.291 0.608 -1.827
170 HD1 LYN 21 HD1 LYN 21 29.581 2.913 -1.909
171 HD2 LYN 21 HD2 LYN 21 31.336 2.912 -1.730
172 HE1 LYN 21 HE1 LYN 21 30.280 2.822 0.891
173 HE2 LYN 21 HE2 LYN 21 29.334 4.033 0.027
174 HZ1 LYN 21 HZ1 LYN 21 31.825 4.584 -0.797
175 HZ2 LYN 21 HZ2 LYN 21 32.118 4.068 0.795
176 HZ3 LYN 21 HZ3 LYN 21 31.054 5.359 0.499
177 H1 LYN 21 H1 LYN 21 33.396 -2.685 -0.279
178 H2 LYN 21 H2 LYN 21 34.857 -2.158 0.406
Start of MODEL 19
1 1H HIS 1 HT1 HIS 1 6.212 -5.250 -4.410
2 2H HIS 1 HT2 HIS 1 7.737 -4.968 -3.718
3 3H HIS 1 HT3 HIS 1 6.342 -4.930 -2.750
4 HA HIS 1 HA HIS 1 6.128 -7.382 -3.753
5 1HB HIS 1 HB2 HIS 1 8.435 -6.876 -4.842
6 2HB HIS 1 HB1 HIS 1 9.079 -7.087 -3.213
7 HD1 HIS 1 HD1 HIS 1 10.087 -9.179 -4.984
8 HD2 HIS 1 HD2 HIS 1 6.316 -9.541 -3.244
9 HE1 HIS 1 HE1 HIS 1 9.509 -11.644 -5.032
10 H SER 2 HN SER 2 7.598 -5.260 -1.402
11 HA SER 2 HA SER 2 7.619 -5.373 0.947
12 1HB SER 2 HB2 SER 2 5.669 -7.632 0.489
13 2HB SER 2 HB1 SER 2 5.962 -6.814 2.020
14 HG SER 2 HG SER 2 4.434 -6.060 -0.106
15 H ASP 3 HN ASP 3 9.634 -6.818 -0.494
16 HA ASP 3 HA ASP 3 10.080 -9.048 1.444
17 1HB ASP 3 HB2 ASP 3 9.365 -9.819 -0.846
18 2HB ASP 3 HB1 ASP 3 10.846 -9.115 -1.474
19 H GLY 4 HN GLY 4 11.163 -6.725 2.125
20 1HA GLY 4 HA2 GLY 4 13.302 -5.895 2.753
21 2HA GLY 4 HA1 GLY 4 14.037 -7.210 1.831
22 H ILE 5 HN ILE 5 14.904 -6.724 -0.149
23 HA ILE 5 HA ILE 5 15.531 -4.229 -1.074
24 HB ILE 5 HB ILE 5 16.421 -6.012 -2.324
25 1HG1 ILE 5 HG12 ILE 5 14.261 -4.682 -3.993
26 2HG1 ILE 5 HG11 ILE 5 15.951 -4.198 -3.852
27 1HG2 ILE 5 HG21 ILE 5 14.933 -7.651 -3.510
28 2HG2 ILE 5 HG22 ILE 5 13.554 -6.903 -2.704
29 3HG2 ILE 5 HG23 ILE 5 14.802 -7.708 -1.752
30 1HD1 ILE 5 HD11 ILE 5 16.317 -6.730 -4.666
31 2HD1 ILE 5 HD12 ILE 5 16.104 -5.401 -5.805
32 3HD1 ILE 5 HD13 ILE 5 14.738 -6.439 -5.396
33 H PHE 6 HN PHE 6 12.381 -5.748 -1.319
34 HA PHE 6 HA PHE 6 11.379 -3.281 -2.675
35 1HB PHE 6 HB2 PHE 6 10.728 -6.127 -2.905
36 2HB PHE 6 HB1 PHE 6 9.301 -5.110 -2.702
37 HD1 PHE 6 HD1 PHE 6 9.267 -2.903 -4.152
38 HD2 PHE 6 HD2 PHE 6 11.677 -6.349 -5.018
39 HE1 PHE 6 HE1 PHE 6 9.475 -2.166 -6.512
40 HE2 PHE 6 HE2 PHE 6 11.885 -5.616 -7.378
41 HZ PHE 6 HZ PHE 6 10.783 -3.522 -8.125
42 H THR 7 HN THR 7 11.543 -2.282 -0.436
43 HA THR 7 HA THR 7 8.974 -2.226 0.815
44 HB THR 7 HB THR 7 9.768 -4.423 1.699
45 HG1 THR 7 HG1 THR 7 8.386 -3.299 2.995
46 1HG2 THR 7 HG21 THR 7 11.653 -3.366 3.610
47 2HG2 THR 7 HG22 THR 7 12.203 -3.027 1.969
48 3HG2 THR 7 HG23 THR 7 11.865 -4.686 2.460
49 H ASP 8 HN ASP 8 10.422 -1.665 3.499
50 HA ASP 8 HA ASP 8 11.227 1.076 2.701
51 1HB ASP 8 HB2 ASP 8 9.505 1.038 4.386
52 2HB ASP 8 HB1 ASP 8 10.421 -0.108 5.366
53 H SER 9 HN SER 9 12.292 -1.353 5.122
54 HA SER 9 HA SER 9 14.720 -0.355 5.882
55 1HB SER 9 HB2 SER 9 15.542 -2.870 5.512
56 2HB SER 9 HB1 SER 9 14.435 -2.423 6.803
57 HG SER 9 HG SER 9 14.026 -3.990 4.630
58 H TYR 10 HN TYR 10 14.511 -2.506 3.002
59 HA TYR 10 HA TYR 10 17.061 -2.132 2.006
60 1HB TYR 10 HB2 TYR 10 16.211 -3.326 0.303
61 2HB TYR 10 HB1 TYR 10 14.622 -3.137 1.017
62 HD1 TYR 10 HD1 TYR 10 16.936 -1.942 -1.581
63 HD2 TYR 10 HD2 TYR 10 13.068 -1.406 0.212
64 HE1 TYR 10 HE1 TYR 10 16.228 -0.561 -3.514
65 HE2 TYR 10 HE2 TYR 10 12.362 -0.026 -1.721
66 HH TYR 10 HH TYR 10 14.254 0.192 -4.610
67 H SER 11 HN SER 11 14.256 -0.030 1.328
68 HA SER 11 HA SER 11 15.496 1.882 -0.284
69 1HB SER 11 HB2 SER 11 13.106 1.941 0.254
70 2HB SER 11 HB1 SER 11 13.473 2.330 1.934
71 HG SER 11 HG SER 11 13.166 3.998 -0.074
72 H ARG 12 HN ARG 12 15.291 1.948 3.291
73 HA ARG 12 HA ARG 12 17.178 4.135 3.524
74 1HB ARG 12 HB2 ARG 12 17.032 3.785 5.884
75 2HB ARG 12 HB1 ARG 12 15.428 3.404 5.263
76 1HG ARG 12 HG2 ARG 12 15.769 1.084 5.478
77 2HG ARG 12 HG1 ARG 12 17.517 1.253 5.621
78 1HD ARG 12 HD2 ARG 12 15.409 1.999 7.655
79 2HD ARG 12 HD1 ARG 12 16.722 0.834 7.833
80 HE ARG 12 HE ARG 12 18.268 2.875 7.659
81 1HH1 ARG 12 HH21 ARG 12 15.505 4.440 7.355
82 2HH1 ARG 12 HH22 ARG 12 15.503 5.261 8.880
83 1HH2 ARG 12 HH11 ARG 12 18.057 3.336 10.221
84 2HH2 ARG 12 HH12 ARG 12 16.947 4.636 10.503
85 H TYR 13 HN TYR 13 17.395 0.726 3.121
86 HA TYR 13 HA TYR 13 20.209 0.609 4.008
87 1HB TYR 13 HB2 TYR 13 19.415 -1.434 4.605
88 2HB TYR 13 HB1 TYR 13 18.018 -1.288 3.548
89 HD1 TYR 13 HD1 TYR 13 18.502 -1.572 0.968
90 HD2 TYR 13 HD2 TYR 13 21.079 -2.983 4.100
91 HE1 TYR 13 HE1 TYR 13 19.538 -3.178 -0.609
92 HE2 TYR 13 HE2 TYR 13 22.118 -4.588 2.523
93 HH TYR 13 HH TYR 13 21.756 -4.394 -0.801
94 H ARG 14 HN ARG 14 18.735 1.757 1.346
95 HA ARG 14 HA ARG 14 20.853 0.715 -0.494
96 1HB ARG 14 HB2 ARG 14 18.070 0.717 -0.827
97 2HB ARG 14 HB1 ARG 14 18.639 2.058 -1.821
98 1HG ARG 14 HG2 ARG 14 20.454 0.358 -2.629
99 2HG ARG 14 HG1 ARG 14 19.337 -0.861 -2.013
100 1HD ARG 14 HD2 ARG 14 18.256 -0.700 -3.987
101 2HD ARG 14 HD1 ARG 14 17.706 0.888 -3.451
102 HE ARG 14 HE ARG 14 20.350 1.028 -4.622
103 1HH1 ARG 14 HH21 ARG 14 17.473 2.487 -4.859
104 2HH1 ARG 14 HH22 ARG 14 17.354 2.497 -6.587
105 1HH2 ARG 14 HH11 ARG 14 19.997 0.299 -7.046
106 2HH2 ARG 14 HH12 ARG 14 18.783 1.258 -7.825
107 H LYS 15 HN LYS 15 18.703 3.553 -0.683
108 HA LYS 15 HA LYS 15 20.424 5.345 -1.868
109 1HB LYS 15 HB2 LYS 15 19.263 7.070 -0.187
110 2HB LYS 15 HB1 LYS 15 18.360 6.310 -1.497
111 1HG LYS 15 HG2 LYS 15 17.187 4.933 -0.078
112 2HG LYS 15 HG1 LYS 15 18.518 4.812 1.073
113 1HD LYS 15 HD2 LYS 15 16.850 6.117 2.169
114 2HD LYS 15 HD1 LYS 15 18.069 7.271 1.627
115 1HE LYS 15 HE2 LYS 15 16.314 8.370 0.692
116 2HE LYS 15 HE1 LYS 15 16.424 7.139 -0.565
117 1HZ LYS 15 HZ1 LYS 15 14.708 5.921 0.358
118 2HZ LYS 15 HZ2 LYS 15 14.184 7.519 0.595
119 3HZ LYS 15 HZ3 LYS 15 14.861 6.644 1.884
120 H GLN 16 HN GLN 16 20.296 4.628 1.628
121 HA GLN 16 HA GLN 16 22.213 6.464 2.538
122 1HB GLN 16 HB2 GLN 16 21.735 3.601 3.423
123 2HB GLN 16 HB1 GLN 16 22.766 4.735 4.293
124 1HG GLN 16 HG2 GLN 16 19.787 4.938 3.808
125 2HG GLN 16 HG1 GLN 16 20.631 4.865 5.355
126 1HE2 GLN 16 HE21 GLN 16 18.834 7.035 4.085
127 2HE2 GLN 16 HE22 GLN 16 19.756 8.454 4.221
128 H MET 17 HN MET 17 22.892 3.077 1.579
129 HA MET 17 HA MET 17 25.648 3.065 1.661
130 1HB MET 17 HB2 MET 17 23.913 1.938 -0.556
131 2HB MET 17 HB1 MET 17 25.597 1.494 -0.271
132 1HG MET 17 HG2 MET 17 24.722 1.024 2.183
133 2HG MET 17 HG1 MET 17 23.167 0.863 1.365
134 1HE MET 17 HE1 MET 17 24.884 -2.566 2.360
135 2HE MET 17 HE2 MET 17 23.206 -2.101 2.092
136 3HE MET 17 HE3 MET 17 24.261 -1.056 3.040
137 H ALA 18 HN ALA 18 24.030 3.733 -1.458
138 HA ALA 18 HA ALA 18 26.148 4.808 -2.847
139 1HB ALA 18 HB1 ALA 18 23.667 4.574 -3.556
140 2HB ALA 18 HB2 ALA 18 24.595 5.906 -4.246
141 3HB ALA 18 HB3 ALA 18 23.480 6.205 -2.913
142 H VAL 19 HN VAL 19 23.932 6.766 -0.855
143 HA VAL 19 HA VAL 19 25.097 9.253 -0.983
144 HB VAL 19 HB VAL 19 23.902 7.753 1.335
145 1HG1 VAL 19 HG11 VAL 19 25.585 9.089 2.444
146 2HG1 VAL 19 HG12 VAL 19 24.035 9.906 2.649
147 3HG1 VAL 19 HG13 VAL 19 25.191 10.495 1.455
148 1HG2 VAL 19 HG21 VAL 19 22.392 8.680 -0.335
149 2HG2 VAL 19 HG22 VAL 19 23.184 10.253 -0.231
150 3HG2 VAL 19 HG23 VAL 19 22.255 9.641 1.138
151 H LYS 20 HN LYS 20 26.222 6.711 1.308
152 HA LYS 20 HA LYS 20 28.701 8.250 1.745
153 1HB LYS 20 HB2 LYS 20 28.038 5.521 2.865
154 2HB LYS 20 HB1 LYS 20 29.154 6.721 3.516
155 1HG LYS 20 HG2 LYS 20 27.438 8.080 4.323
156 2HG LYS 20 HG1 LYS 20 26.256 7.433 3.184
157 1HD LYS 20 HD2 LYS 20 27.441 5.947 5.548
158 2HD LYS 20 HD1 LYS 20 25.803 6.593 5.449
159 1HE LYS 20 HE2 LYS 20 25.637 5.146 3.276
160 2HE LYS 20 HE1 LYS 20 27.011 4.276 3.958
161 1HZ LYS 20 HZ1 LYS 20 25.758 3.812 5.925
162 2HZ LYS 20 HZ2 LYS 20 24.834 3.331 4.582
163 3HZ LYS 20 HZ3 LYS 20 24.464 4.774 5.399
164 HN LYN 21 HN LYN 21 30.604 6.290 2.017
165 HA LYN 21 HA LYN 21 30.792 4.240 0.136
166 HB1 LYN 21 HB1 LYN 21 30.370 5.702 -1.693
167 HB2 LYN 21 HB2 LYN 21 32.119 5.471 -1.691
168 HG1 LYN 21 HG1 LYN 21 32.438 7.681 -1.402
169 HG2 LYN 21 HG2 LYN 21 31.448 7.658 0.058
170 HD1 LYN 21 HD1 LYN 21 30.583 9.198 -1.741
171 HD2 LYN 21 HD2 LYN 21 29.425 7.967 -1.239
172 HE1 LYN 21 HE1 LYN 21 31.001 6.829 -3.314
173 HE2 LYN 21 HE2 LYN 21 30.522 8.438 -3.856
174 HZ1 LYN 21 HZ1 LYN 21 28.234 7.630 -2.847
175 HZ2 LYN 21 HZ2 LYN 21 28.872 6.108 -3.251
176 HZ3 LYN 21 HZ3 LYN 21 28.677 7.297 -4.450
177 H1 LYN 21 H1 LYN 21 33.343 4.083 -0.640
178 H2 LYN 21 H2 LYN 21 34.436 4.459 0.603
Start of MODEL 20
1 1H HIS 1 HT1 HIS 1 6.960 1.760 0.642
2 2H HIS 1 HT2 HIS 1 6.016 2.888 1.492
3 3H HIS 1 HT3 HIS 1 6.597 3.259 -0.061
4 HA HIS 1 HA HIS 1 4.144 2.236 0.527
5 1HB HIS 1 HB2 HIS 1 4.545 3.446 -1.489
6 2HB HIS 1 HB1 HIS 1 5.808 2.326 -1.998
7 HD1 HIS 1 HD1 HIS 1 2.839 0.687 -0.569
8 HD2 HIS 1 HD2 HIS 1 4.101 1.888 -4.357
9 HE1 HIS 1 HE1 HIS 1 1.352 -0.509 -2.234
10 H SER 2 HN SER 2 5.794 0.316 -1.880
11 HA SER 2 HA SER 2 6.271 -2.037 -0.322
12 1HB SER 2 HB2 SER 2 3.557 -1.740 -1.568
13 2HB SER 2 HB1 SER 2 4.289 -3.327 -1.362
14 HG SER 2 HG SER 2 2.913 -2.208 0.412
15 H ASP 3 HN ASP 3 7.308 -0.488 -2.647
16 HA ASP 3 HA ASP 3 7.296 -2.724 -4.633
17 1HB ASP 3 HB2 ASP 3 6.046 -0.603 -5.274
18 2HB ASP 3 HB1 ASP 3 7.610 0.193 -5.319
19 H GLY 4 HN GLY 4 9.206 -2.868 -2.749
20 1HA GLY 4 HA2 GLY 4 11.565 -3.182 -2.697
21 2HA GLY 4 HA1 GLY 4 11.653 -2.478 -4.312
22 H ILE 5 HN ILE 5 12.367 -0.385 -4.492
23 HA ILE 5 HA ILE 5 13.738 1.020 -2.592
24 HB ILE 5 HB ILE 5 13.747 1.987 -4.733
25 1HG1 ILE 5 HG12 ILE 5 11.999 3.719 -2.954
26 2HG1 ILE 5 HG11 ILE 5 13.755 3.780 -3.103
27 1HG2 ILE 5 HG21 ILE 5 11.608 2.762 -5.822
28 2HG2 ILE 5 HG22 ILE 5 10.731 1.962 -4.517
29 3HG2 ILE 5 HG23 ILE 5 11.736 1.015 -5.615
30 1HD1 ILE 5 HD11 ILE 5 11.656 4.693 -5.048
31 2HD1 ILE 5 HD12 ILE 5 13.242 4.206 -5.645
32 3HD1 ILE 5 HD13 ILE 5 13.103 5.536 -4.496
33 H PHE 6 HN PHE 6 10.248 0.778 -2.799
34 HA PHE 6 HA PHE 6 10.058 2.492 -0.359
35 1HB PHE 6 HB2 PHE 6 8.365 2.133 -2.727
36 2HB PHE 6 HB1 PHE 6 7.469 2.042 -1.210
37 HD1 PHE 6 HD1 PHE 6 8.304 4.258 -3.652
38 HD2 PHE 6 HD2 PHE 6 8.645 3.844 0.608
39 HE1 PHE 6 HE1 PHE 6 8.459 6.723 -3.429
40 HE2 PHE 6 HE2 PHE 6 8.798 6.311 0.834
41 HZ PHE 6 HZ PHE 6 8.706 7.750 -1.184
42 H THR 7 HN THR 7 10.880 0.490 0.810
43 HA THR 7 HA THR 7 8.706 -0.903 2.036
44 HB THR 7 HB THR 7 8.744 -2.116 -0.149
45 HG1 THR 7 HG1 THR 7 8.264 -3.105 1.956
46 1HG2 THR 7 HG21 THR 7 11.534 -1.963 0.224
47 2HG2 THR 7 HG22 THR 7 10.677 -2.776 -1.086
48 3HG2 THR 7 HG23 THR 7 11.120 -3.672 0.367
49 H ASP 8 HN ASP 8 10.591 -3.334 2.376
50 HA ASP 8 HA ASP 8 12.245 -2.000 4.445
51 1HB ASP 8 HB2 ASP 8 10.862 -3.780 5.306
52 2HB ASP 8 HB1 ASP 8 11.428 -4.888 4.055
53 H SER 9 HN SER 9 12.642 -4.742 2.161
54 HA SER 9 HA SER 9 15.341 -5.150 2.230
55 1HB SER 9 HB2 SER 9 15.109 -5.165 -0.434
56 2HB SER 9 HB1 SER 9 14.438 -6.436 0.580
57 HG SER 9 HG SER 9 13.171 -4.689 -1.014
58 H TYR 10 HN TYR 10 13.976 -2.718 -0.045
59 HA TYR 10 HA TYR 10 16.330 -1.503 -0.829
60 1HB TYR 10 HB2 TYR 10 14.888 -0.107 -1.836
61 2HB TYR 10 HB1 TYR 10 13.586 -0.883 -0.954
62 HD1 TYR 10 HD1 TYR 10 15.801 2.047 -1.129
63 HD2 TYR 10 HD2 TYR 10 12.690 0.112 1.115
64 HE1 TYR 10 HE1 TYR 10 15.395 4.147 0.125
65 HE2 TYR 10 HE2 TYR 10 12.285 2.211 2.368
66 HH TYR 10 HH TYR 10 13.365 5.169 1.390
67 H SER 11 HN SER 11 14.441 -0.634 2.076
68 HA SER 11 HA SER 11 16.094 1.380 3.084
69 1HB SER 11 HB2 SER 11 13.988 0.753 4.151
70 2HB SER 11 HB1 SER 11 14.653 -0.816 4.604
71 HG SER 11 HG SER 11 14.724 0.834 6.275
72 H ARG 12 HN ARG 12 16.394 -2.136 3.659
73 HA ARG 12 HA ARG 12 18.958 -1.843 5.005
74 1HB ARG 12 HB2 ARG 12 18.972 -4.224 5.131
75 2HB ARG 12 HB1 ARG 12 17.276 -3.773 5.282
76 1HG ARG 12 HG2 ARG 12 16.788 -4.428 3.073
77 2HG ARG 12 HG1 ARG 12 18.483 -4.444 2.596
78 1HD ARG 12 HD2 ARG 12 17.517 -6.269 4.781
79 2HD ARG 12 HD1 ARG 12 17.287 -6.716 3.090
80 HE ARG 12 HE ARG 12 20.001 -5.940 3.424
81 1HH1 ARG 12 HH21 ARG 12 18.385 -7.902 5.569
82 2HH1 ARG 12 HH22 ARG 12 19.303 -9.335 5.246
83 1HH2 ARG 12 HH11 ARG 12 20.933 -7.992 2.496
84 2HH2 ARG 12 HH12 ARG 12 20.745 -9.386 3.507
85 H TYR 13 HN TYR 13 17.872 -2.113 1.738
86 HA TYR 13 HA TYR 13 20.523 -2.905 0.720
87 1HB TYR 13 HB2 TYR 13 19.152 -3.825 -0.827
88 2HB TYR 13 HB1 TYR 13 17.776 -2.894 -0.252
89 HD1 TYR 13 HD1 TYR 13 19.975 -3.424 -2.965
90 HD2 TYR 13 HD2 TYR 13 17.780 -0.333 -0.950
91 HE1 TYR 13 HE1 TYR 13 20.092 -2.016 -5.001
92 HE2 TYR 13 HE2 TYR 13 17.896 1.077 -2.984
93 HH TYR 13 HH TYR 13 18.823 1.303 -5.013
94 H ARG 14 HN ARG 14 19.061 -0.062 1.711
95 HA ARG 14 HA ARG 14 20.457 1.635 -0.283
96 1HB ARG 14 HB2 ARG 14 18.030 1.989 0.726
97 2HB ARG 14 HB1 ARG 14 18.927 2.757 2.036
98 1HG ARG 14 HG2 ARG 14 20.168 4.012 0.101
99 2HG ARG 14 HG1 ARG 14 18.759 3.555 -0.857
100 1HD ARG 14 HD2 ARG 14 17.312 4.871 0.388
101 2HD ARG 14 HD1 ARG 14 18.312 4.780 1.838
102 HE ARG 14 HE ARG 14 19.805 6.201 -0.092
103 1HH1 ARG 14 HH11 ARG 14 16.562 6.743 0.181
104 2HH1 ARG 14 HH12 ARG 14 16.677 8.338 0.847
105 1HH2 ARG 14 HH21 ARG 14 20.094 8.145 1.406
106 2HH2 ARG 14 HH22 ARG 14 18.676 9.132 1.540
107 H LYS 15 HN LYS 15 20.102 1.841 3.278
108 HA LYS 15 HA LYS 15 22.262 3.414 3.908
109 1HB LYS 15 HB2 LYS 15 21.884 0.880 5.488
110 2HB LYS 15 HB1 LYS 15 22.237 2.505 6.070
111 1HG LYS 15 HG2 LYS 15 19.612 1.425 5.036
112 2HG LYS 15 HG1 LYS 15 19.951 2.143 6.611
113 1HD LYS 15 HD2 LYS 15 20.701 4.083 4.702
114 2HD LYS 15 HD1 LYS 15 19.146 3.448 4.162
115 1HE LYS 15 HE2 LYS 15 18.032 4.194 6.039
116 2HE LYS 15 HE1 LYS 15 19.457 4.058 7.069
117 1HZ LYS 15 HZ1 LYS 15 19.606 5.998 4.909
118 2HZ LYS 15 HZ2 LYS 15 20.176 6.101 6.506
119 3HZ LYS 15 HZ3 LYS 15 18.533 6.371 6.168
120 H GLN 16 HN GLN 16 22.458 -0.135 3.471
121 HA GLN 16 HA GLN 16 25.172 -0.547 3.868
122 1HB GLN 16 HB2 GLN 16 23.371 -1.717 1.729
123 2HB GLN 16 HB1 GLN 16 25.012 -2.290 2.022
124 1HG GLN 16 HG2 GLN 16 22.677 -2.334 3.948
125 2HG GLN 16 HG1 GLN 16 23.556 -3.715 3.291
126 1HE2 GLN 16 HE21 GLN 16 26.229 -2.522 3.618
127 2HE2 GLN 16 HE22 GLN 16 26.549 -2.495 5.285
128 H MET 17 HN MET 17 23.620 0.942 1.061
129 HA MET 17 HA MET 17 25.637 1.031 -0.820
130 1HB MET 17 HB2 MET 17 23.869 3.333 0.056
131 2HB MET 17 HB1 MET 17 24.805 3.305 -1.439
132 1HG MET 17 HG2 MET 17 23.284 0.863 -1.186
133 2HG MET 17 HG1 MET 17 22.215 2.257 -1.030
134 1HE MET 17 HE1 MET 17 21.087 1.196 -2.964
135 2HE MET 17 HE2 MET 17 22.259 0.047 -3.605
136 3HE MET 17 HE3 MET 17 21.591 1.292 -4.657
137 H ALA 18 HN ALA 18 25.273 3.814 1.385
138 HA ALA 18 HA ALA 18 27.749 4.972 1.047
139 1HB ALA 18 HB1 ALA 18 26.043 5.917 2.538
140 2HB ALA 18 HB2 ALA 18 27.586 5.786 3.383
141 3HB ALA 18 HB3 ALA 18 26.310 4.607 3.688
142 H VAL 19 HN VAL 19 27.087 2.567 3.594
143 HA VAL 19 HA VAL 19 29.590 2.132 4.634
144 HB VAL 19 HB VAL 19 27.387 0.205 3.941
145 1HG1 VAL 19 HG11 VAL 19 29.050 -1.380 3.694
146 2HG1 VAL 19 HG12 VAL 19 28.906 -1.392 5.452
147 3HG1 VAL 19 HG13 VAL 19 30.201 -0.478 4.680
148 1HG2 VAL 19 HG21 VAL 19 28.658 0.626 6.632
149 2HG2 VAL 19 HG22 VAL 19 26.984 0.231 6.241
150 3HG2 VAL 19 HG23 VAL 19 27.586 1.868 5.983
151 H LYS 20 HN LYS 20 28.442 0.491 1.642
152 HA LYS 20 HA LYS 20 31.160 -0.418 1.045
153 1HB LYS 20 HB2 LYS 20 30.122 -1.313 -1.028
154 2HB LYS 20 HB1 LYS 20 29.241 -1.813 0.416
155 1HG LYS 20 HG2 LYS 20 27.587 -0.050 0.064
156 2HG LYS 20 HG1 LYS 20 28.494 0.556 -1.323
157 1HD LYS 20 HD2 LYS 20 27.300 -0.848 -2.618
158 2HD LYS 20 HD1 LYS 20 28.133 -2.185 -1.824
159 1HE LYS 20 HE2 LYS 20 26.356 -1.904 0.046
160 2HE LYS 20 HE1 LYS 20 25.453 -0.979 -1.154
161 1HZ LYS 20 HZ1 LYS 20 25.573 -2.871 -2.651
162 2HZ LYS 20 HZ2 LYS 20 24.829 -3.309 -1.188
163 3HZ LYS 20 HZ3 LYS 20 26.438 -3.760 -1.494
164 HN LYN 21 HN LYN 21 31.278 2.316 1.275
165 HA LYN 21 HA LYN 21 32.013 3.090 -1.472
166 HB1 LYN 21 HB1 LYN 21 30.761 5.249 -1.297
167 HB2 LYN 21 HB2 LYN 21 29.996 4.647 0.174
168 HG1 LYN 21 HG1 LYN 21 29.087 2.726 -1.114
169 HG2 LYN 21 HG2 LYN 21 29.815 3.384 -2.580
170 HD1 LYN 21 HD1 LYN 21 28.005 5.118 -0.925
171 HD2 LYN 21 HD2 LYN 21 27.299 3.922 -2.013
172 HE1 LYN 21 HE1 LYN 21 29.059 4.983 -3.717
173 HE2 LYN 21 HE2 LYN 21 28.882 6.377 -2.651
174 HZ1 LYN 21 HZ1 LYN 21 27.280 6.423 -4.464
175 HZ2 LYN 21 HZ2 LYN 21 26.497 6.284 -2.963
176 HZ3 LYN 21 HZ3 LYN 21 26.653 4.926 -3.973
177 H1 LYN 21 H1 LYN 21 32.999 5.513 -1.265
178 H2 LYN 21 H2 LYN 21 33.982 5.747 0.098
Start of MODEL 21
1 1H HIS 1 HT1 HIS 1 1.226 5.672 1.417
2 2H HIS 1 HT2 HIS 1 2.847 5.464 1.879
3 3H HIS 1 HT3 HIS 1 1.853 4.110 1.625
4 HA HIS 1 HA HIS 1 1.663 4.659 -0.723
5 1HB HIS 1 HB2 HIS 1 2.020 7.139 -0.299
6 2HB HIS 1 HB1 HIS 1 3.739 6.784 -0.131
7 HD1 HIS 1 HD1 HIS 1 0.982 6.024 -2.672
8 HD2 HIS 1 HD2 HIS 1 5.044 6.954 -2.550
9 HE1 HIS 1 HE1 HIS 1 1.756 6.171 -5.079
10 H SER 2 HN SER 2 4.888 5.492 0.566
11 HA SER 2 HA SER 2 6.921 4.346 0.396
12 1HB SER 2 HB2 SER 2 5.069 1.947 0.467
13 2HB SER 2 HB1 SER 2 6.812 1.892 0.713
14 HG SER 2 HG SER 2 5.125 2.175 2.572
15 H ASP 3 HN ASP 3 8.239 3.058 -1.156
16 HA ASP 3 HA ASP 3 7.129 1.947 -3.562
17 1HB ASP 3 HB2 ASP 3 6.695 4.508 -3.748
18 2HB ASP 3 HB1 ASP 3 8.427 4.615 -4.063
19 H GLY 4 HN GLY 4 8.938 0.517 -2.525
20 1HA GLY 4 HA2 GLY 4 11.106 -0.382 -2.809
21 2HA GLY 4 HA1 GLY 4 11.366 0.812 -4.084
22 H ILE 5 HN ILE 5 12.784 2.426 -3.631
23 HA ILE 5 HA ILE 5 14.406 2.650 -1.426
24 HB ILE 5 HB ILE 5 14.890 4.093 -3.216
25 1HG1 ILE 5 HG12 ILE 5 15.059 5.083 -0.800
26 2HG1 ILE 5 HG11 ILE 5 15.243 6.169 -2.175
27 1HG2 ILE 5 HG21 ILE 5 13.222 5.883 -3.900
28 2HG2 ILE 5 HG22 ILE 5 12.044 5.046 -2.888
29 3HG2 ILE 5 HG23 ILE 5 12.759 4.223 -4.274
30 1HD1 ILE 5 HD11 ILE 5 13.391 7.335 -1.614
31 2HD1 ILE 5 HD12 ILE 5 13.436 6.477 -0.074
32 3HD1 ILE 5 HD13 ILE 5 12.445 5.864 -1.397
33 H PHE 6 HN PHE 6 11.038 3.590 -1.582
34 HA PHE 6 HA PHE 6 11.247 4.659 1.194
35 1HB PHE 6 HB2 PHE 6 9.821 5.530 -1.115
36 2HB PHE 6 HB1 PHE 6 8.637 5.012 0.087
37 HD1 PHE 6 HD1 PHE 6 8.839 5.901 2.463
38 HD2 PHE 6 HD2 PHE 6 11.016 7.544 -0.851
39 HE1 PHE 6 HE1 PHE 6 9.240 7.979 3.758
40 HE2 PHE 6 HE2 PHE 6 11.419 9.624 0.440
41 HZ PHE 6 HZ PHE 6 10.531 9.842 2.747
42 H THR 7 HN THR 7 11.389 2.324 1.918
43 HA THR 7 HA THR 7 8.883 1.395 2.878
44 HB THR 7 HB THR 7 8.534 0.798 0.486
45 HG1 THR 7 HG1 THR 7 7.816 -0.509 2.362
46 1HG2 THR 7 HG21 THR 7 10.340 -1.464 0.453
47 2HG2 THR 7 HG22 THR 7 11.232 0.046 0.639
48 3HG2 THR 7 HG23 THR 7 10.149 -0.175 -0.736
49 H ASP 8 HN ASP 8 9.788 -1.502 2.580
50 HA ASP 8 HA ASP 8 11.799 -1.340 4.748
51 1HB ASP 8 HB2 ASP 8 9.823 -2.705 5.203
52 2HB ASP 8 HB1 ASP 8 10.125 -3.660 3.750
53 H SER 9 HN SER 9 11.257 -3.339 1.814
54 HA SER 9 HA SER 9 13.632 -4.675 1.572
55 1HB SER 9 HB2 SER 9 13.322 -3.510 -0.972
56 2HB SER 9 HB1 SER 9 12.726 -5.076 -0.439
57 HG SER 9 HG SER 9 11.369 -2.797 -0.954
58 H TYR 10 HN TYR 10 13.288 -1.428 0.079
59 HA TYR 10 HA TYR 10 15.935 -0.900 -0.477
60 1HB TYR 10 HB2 TYR 10 15.083 1.094 -1.008
61 2HB TYR 10 HB1 TYR 10 13.568 0.603 -0.275
62 HD1 TYR 10 HD1 TYR 10 16.689 2.505 0.207
63 HD2 TYR 10 HD2 TYR 10 12.960 1.327 1.983
64 HE1 TYR 10 HE1 TYR 10 16.983 4.223 1.970
65 HE2 TYR 10 HE2 TYR 10 13.253 3.046 3.744
66 HH TYR 10 HH TYR 10 16.168 5.100 3.836
67 H SER 11 HN SER 11 14.351 -0.189 2.644
68 HA SER 11 HA SER 11 16.530 0.815 4.048
69 1HB SER 11 HB2 SER 11 14.275 0.620 5.003
70 2HB SER 11 HB1 SER 11 14.427 -1.136 5.042
71 HG SER 11 HG SER 11 15.419 0.761 6.745
72 H ARG 12 HN ARG 12 15.883 -2.510 3.120
73 HA ARG 12 HA ARG 12 18.239 -3.482 4.614
74 1HB ARG 12 HB2 ARG 12 17.512 -5.679 4.097
75 2HB ARG 12 HB1 ARG 12 16.031 -4.777 4.392
76 1HG ARG 12 HG2 ARG 12 15.344 -4.944 2.223
77 2HG ARG 12 HG1 ARG 12 16.973 -4.796 1.574
78 1HD ARG 12 HD2 ARG 12 15.775 -7.258 2.866
79 2HD ARG 12 HD1 ARG 12 16.137 -7.046 1.153
80 HE ARG 12 HE ARG 12 18.204 -7.245 3.302
81 1HH1 ARG 12 HH11 ARG 12 17.498 -9.326 1.099
82 2HH1 ARG 12 HH12 ARG 12 18.837 -9.094 0.026
83 1HH2 ARG 12 HH21 ARG 12 19.801 -6.085 1.453
84 2HH2 ARG 12 HH22 ARG 12 20.141 -7.259 0.226
85 H TYR 13 HN TYR 13 17.330 -2.656 1.339
86 HA TYR 13 HA TYR 13 19.788 -3.832 0.221
87 1HB TYR 13 HB2 TYR 13 18.451 -4.003 -1.589
88 2HB TYR 13 HB1 TYR 13 17.197 -3.071 -0.789
89 HD1 TYR 13 HD1 TYR 13 16.401 -1.357 -2.156
90 HD2 TYR 13 HD2 TYR 13 20.605 -2.242 -2.166
91 HE1 TYR 13 HE1 TYR 13 16.791 0.503 -3.741
92 HE2 TYR 13 HE2 TYR 13 20.993 -0.380 -3.753
93 HH TYR 13 HH TYR 13 19.259 0.841 -5.608
94 H ARG 14 HN ARG 14 18.358 -0.618 0.730
95 HA ARG 14 HA ARG 14 20.234 1.073 -0.389
96 1HB ARG 14 HB2 ARG 14 18.251 1.815 0.968
97 2HB ARG 14 HB1 ARG 14 19.159 1.420 2.430
98 1HG ARG 14 HG2 ARG 14 20.991 2.950 1.189
99 2HG ARG 14 HG1 ARG 14 19.525 3.669 0.523
100 1HD ARG 14 HD2 ARG 14 18.639 3.971 2.812
101 2HD ARG 14 HD1 ARG 14 20.121 3.276 3.470
102 HE ARG 14 HE ARG 14 21.333 5.246 2.598
103 1HH1 ARG 14 HH11 ARG 14 18.678 5.932 4.235
104 2HH1 ARG 14 HH12 ARG 14 18.218 7.371 3.389
105 1HH2 ARG 14 HH21 ARG 14 20.410 6.840 0.755
106 2HH2 ARG 14 HH22 ARG 14 19.199 7.885 1.418
107 H LYS 15 HN LYS 15 20.515 -0.041 3.008
108 HA LYS 15 HA LYS 15 23.088 0.836 3.553
109 1HB LYS 15 HB2 LYS 15 21.648 -1.680 4.391
110 2HB LYS 15 HB1 LYS 15 23.271 -1.313 4.979
111 1HG LYS 15 HG2 LYS 15 22.195 -0.150 6.607
112 2HG LYS 15 HG1 LYS 15 21.990 1.084 5.363
113 1HD LYS 15 HD2 LYS 15 19.802 0.258 4.793
114 2HD LYS 15 HD1 LYS 15 20.017 -1.171 5.805
115 1HE LYS 15 HE2 LYS 15 20.248 0.381 7.788
116 2HE LYS 15 HE1 LYS 15 19.772 1.705 6.725
117 1HZ LYS 15 HZ1 LYS 15 18.162 -0.751 7.159
118 2HZ LYS 15 HZ2 LYS 15 17.698 0.634 6.290
119 3HZ LYS 15 HZ3 LYS 15 17.905 0.714 7.975
120 H GLN 16 HN GLN 16 22.261 -2.311 2.056
121 HA GLN 16 HA GLN 16 24.765 -3.415 1.695
122 1HB GLN 16 HB2 GLN 16 22.460 -3.295 -0.267
123 2HB GLN 16 HB1 GLN 16 23.902 -4.269 -0.548
124 1HG GLN 16 HG2 GLN 16 21.931 -4.527 1.736
125 2HG GLN 16 HG1 GLN 16 22.274 -5.713 0.477
126 1HE2 GLN 16 HE21 GLN 16 24.848 -6.206 0.399
127 2HE2 GLN 16 HE22 GLN 16 25.538 -6.521 1.918
128 H MET 17 HN MET 17 23.364 -0.742 -0.172
129 HA MET 17 HA MET 17 25.213 -0.470 -2.232
130 1HB MET 17 HB2 MET 17 23.959 1.699 -0.528
131 2HB MET 17 HB1 MET 17 24.832 2.012 -2.029
132 1HG MET 17 HG2 MET 17 22.566 0.028 -1.957
133 2HG MET 17 HG1 MET 17 22.247 1.752 -2.146
134 1HE MET 17 HE1 MET 17 24.296 -1.366 -4.098
135 2HE MET 17 HE2 MET 17 22.886 -1.218 -5.144
136 3HE MET 17 HE3 MET 17 22.671 -1.337 -3.399
137 H ALA 18 HN ALA 18 25.568 1.627 0.624
138 HA ALA 18 HA ALA 18 28.223 2.304 0.334
139 1HB ALA 18 HB1 ALA 18 26.619 1.728 2.818
140 2HB ALA 18 HB2 ALA 18 27.107 3.292 2.163
141 3HB ALA 18 HB3 ALA 18 28.303 2.242 2.925
142 H VAL 19 HN VAL 19 27.126 -0.505 2.235
143 HA VAL 19 HA VAL 19 29.503 -1.699 2.924
144 HB VAL 19 HB VAL 19 26.923 -2.885 1.931
145 1HG1 VAL 19 HG11 VAL 19 29.462 -4.404 2.587
146 2HG1 VAL 19 HG12 VAL 19 28.519 -4.488 1.100
147 3HG1 VAL 19 HG13 VAL 19 27.861 -5.143 2.599
148 1HG2 VAL 19 HG21 VAL 19 26.709 -3.588 4.220
149 2HG2 VAL 19 HG22 VAL 19 27.280 -1.920 4.265
150 3HG2 VAL 19 HG23 VAL 19 28.407 -3.247 4.549
151 H LYS 20 HN LYS 20 27.963 -2.158 -0.297
152 HA LYS 20 HA LYS 20 30.359 -3.468 -1.331
153 1HB LYS 20 HB2 LYS 20 28.053 -2.371 -2.950
154 2HB LYS 20 HB1 LYS 20 29.145 -3.689 -3.374
155 1HG LYS 20 HG2 LYS 20 28.230 -5.095 -1.628
156 2HG LYS 20 HG1 LYS 20 27.257 -3.761 -1.005
157 1HD LYS 20 HD2 LYS 20 26.976 -4.970 -3.772
158 2HD LYS 20 HD1 LYS 20 25.912 -5.309 -2.407
159 1HE LYS 20 HE2 LYS 20 24.693 -3.502 -2.960
160 2HE LYS 20 HE1 LYS 20 26.090 -2.490 -2.595
161 1HZ LYS 20 HZ1 LYS 20 26.000 -1.968 -4.749
162 2HZ LYS 20 HZ2 LYS 20 25.021 -3.299 -5.144
163 3HZ LYS 20 HZ3 LYS 20 26.705 -3.486 -5.021
164 HN LYN 21 HN LYN 21 31.194 -1.042 -0.351
165 HA LYN 21 HA LYN 21 32.548 0.135 -2.539
166 HB1 LYN 21 HB1 LYN 21 30.296 0.947 -3.193
167 HB2 LYN 21 HB2 LYN 21 31.370 2.281 -2.773
168 HG1 LYN 21 HG1 LYN 21 30.380 2.068 -0.393
169 HG2 LYN 21 HG2 LYN 21 29.114 1.101 -1.150
170 HD1 LYN 21 HD1 LYN 21 28.181 3.228 -1.293
171 HD2 LYN 21 HD2 LYN 21 29.019 3.133 -2.843
172 HE1 LYN 21 HE1 LYN 21 29.860 5.151 -2.115
173 HE2 LYN 21 HE2 LYN 21 31.036 4.084 -1.347
174 HZ1 LYN 21 HZ1 LYN 21 30.359 5.368 0.408
175 HZ2 LYN 21 HZ2 LYN 21 29.287 4.058 0.551
176 HZ3 LYN 21 HZ3 LYN 21 28.765 5.514 -0.152
177 H1 LYN 21 H1 LYN 21 33.406 2.490 -1.764
178 H2 LYN 21 H2 LYN 21 33.797 2.575 -0.114
Start of MODEL 22
1 1H HIS 1 HT1 HIS 1 5.914 3.223 -0.041
2 2H HIS 1 HT2 HIS 1 6.058 3.454 1.636
3 3H HIS 1 HT3 HIS 1 4.911 4.340 0.749
4 HA HIS 1 HA HIS 1 4.522 1.937 2.059
5 1HB HIS 1 HB2 HIS 1 2.246 2.177 1.172
6 2HB HIS 1 HB1 HIS 1 2.868 3.752 1.664
7 HD1 HIS 1 HD1 HIS 1 0.748 2.888 -0.752
8 HD2 HIS 1 HD2 HIS 1 4.617 4.400 -1.101
9 HE1 HIS 1 HE1 HIS 1 0.907 3.923 -3.058
10 H SER 2 HN SER 2 6.013 0.384 1.067
11 HA SER 2 HA SER 2 6.457 -1.420 -0.375
12 1HB SER 2 HB2 SER 2 3.623 -0.855 -1.249
13 2HB SER 2 HB1 SER 2 4.552 -2.286 -1.684
14 HG SER 2 HG SER 2 3.057 -2.093 0.370
15 H ASP 3 HN ASP 3 7.461 1.000 -1.254
16 HA ASP 3 HA ASP 3 7.047 0.752 -4.200
17 1HB ASP 3 HB2 ASP 3 5.801 2.700 -3.214
18 2HB ASP 3 HB1 ASP 3 7.350 3.364 -2.719
19 H GLY 4 HN GLY 4 9.123 -0.566 -3.249
20 1HA GLY 4 HA2 GLY 4 11.467 -0.709 -3.626
21 2HA GLY 4 HA1 GLY 4 11.428 0.949 -4.232
22 H ILE 5 HN ILE 5 12.183 2.546 -2.903
23 HA ILE 5 HA ILE 5 13.714 2.235 -0.666
24 HB ILE 5 HB ILE 5 13.579 4.442 -1.421
25 1HG1 ILE 5 HG12 ILE 5 11.903 4.291 1.107
26 2HG1 ILE 5 HG11 ILE 5 13.649 4.517 1.003
27 1HG2 ILE 5 HG21 ILE 5 10.584 4.095 -1.222
28 2HG2 ILE 5 HG22 ILE 5 11.550 4.320 -2.681
29 3HG2 ILE 5 HG23 ILE 5 11.356 5.649 -1.537
30 1HD1 ILE 5 HD11 ILE 5 12.855 6.586 -0.529
31 2HD1 ILE 5 HD12 ILE 5 13.056 6.722 1.218
32 3HD1 ILE 5 HD13 ILE 5 11.451 6.465 0.533
33 H PHE 6 HN PHE 6 10.209 2.090 -0.743
34 HA PHE 6 HA PHE 6 10.234 1.498 2.184
35 1HB PHE 6 HB2 PHE 6 8.372 2.885 0.399
36 2HB PHE 6 HB1 PHE 6 7.579 1.688 1.423
37 HD1 PHE 6 HD1 PHE 6 8.294 1.690 3.954
38 HD2 PHE 6 HD2 PHE 6 8.882 4.987 1.265
39 HE1 PHE 6 HE1 PHE 6 8.497 3.233 5.887
40 HE2 PHE 6 HE2 PHE 6 9.083 6.531 3.196
41 HZ PHE 6 HZ PHE 6 8.890 5.652 5.509
42 H THR 7 HN THR 7 11.110 -0.695 1.503
43 HA THR 7 HA THR 7 9.029 -2.647 1.516
44 HB THR 7 HB THR 7 8.829 -1.900 -0.867
45 HG1 THR 7 HG1 THR 7 8.431 -4.089 -0.137
46 1HG2 THR 7 HG21 THR 7 11.647 -1.982 -0.739
47 2HG2 THR 7 HG22 THR 7 10.652 -1.612 -2.147
48 3HG2 THR 7 HG23 THR 7 11.170 -3.270 -1.845
49 H ASP 8 HN ASP 8 10.813 -4.516 -0.138
50 HA ASP 8 HA ASP 8 12.727 -4.997 2.073
51 1HB ASP 8 HB2 ASP 8 11.349 -6.904 1.479
52 2HB ASP 8 HB1 ASP 8 11.809 -6.753 -0.218
53 H SER 9 HN SER 9 12.780 -5.195 -1.509
54 HA SER 9 HA SER 9 15.437 -5.411 -2.070
55 1HB SER 9 HB2 SER 9 14.851 -3.340 -3.751
56 2HB SER 9 HB1 SER 9 14.404 -5.015 -4.048
57 HG SER 9 HG SER 9 12.843 -2.867 -3.473
58 H TYR 10 HN TYR 10 13.994 -2.160 -1.588
59 HA TYR 10 HA TYR 10 16.346 -0.684 -1.440
60 1HB TYR 10 HB2 TYR 10 14.877 0.957 -1.048
61 2HB TYR 10 HB1 TYR 10 13.620 -0.257 -0.925
62 HD1 TYR 10 HD1 TYR 10 15.611 2.178 0.868
63 HD2 TYR 10 HD2 TYR 10 13.115 -1.285 1.347
64 HE1 TYR 10 HE1 TYR 10 15.312 2.723 3.268
65 HE2 TYR 10 HE2 TYR 10 12.816 -0.739 3.745
66 HH TYR 10 HH TYR 10 14.331 2.160 5.172
67 H SER 11 HN SER 11 14.725 -2.367 1.255
68 HA SER 11 HA SER 11 16.487 -1.559 3.302
69 1HB SER 11 HB2 SER 11 14.447 -2.817 3.754
70 2HB SER 11 HB1 SER 11 15.083 -4.220 2.901
71 HG SER 11 HG SER 11 15.369 -4.365 5.179
72 H ARG 12 HN ARG 12 16.878 -3.943 0.765
73 HA ARG 12 HA ARG 12 19.441 -4.873 1.901
74 1HB ARG 12 HB2 ARG 12 19.428 -6.564 0.237
75 2HB ARG 12 HB1 ARG 12 17.747 -6.403 0.732
76 1HG ARG 12 HG2 ARG 12 17.097 -5.533 -1.284
77 2HG ARG 12 HG1 ARG 12 18.619 -4.691 -1.545
78 1HD ARG 12 HD2 ARG 12 18.099 -6.733 -3.047
79 2HD ARG 12 HD1 ARG 12 19.703 -6.633 -2.320
80 HE ARG 12 HE ARG 12 18.597 -8.144 -0.473
81 1HH1 ARG 12 HH11 ARG 12 16.079 -8.462 -2.114
82 2HH1 ARG 12 HH12 ARG 12 16.380 -9.960 -2.928
83 1HH2 ARG 12 HH21 ARG 12 19.784 -9.939 -2.269
84 2HH2 ARG 12 HH22 ARG 12 18.478 -10.797 -3.016
85 H TYR 13 HN TYR 13 18.265 -2.730 -0.612
86 HA TYR 13 HA TYR 13 20.990 -2.382 -1.703
87 1HB TYR 13 HB2 TYR 13 19.875 -1.931 -3.616
88 2HB TYR 13 HB1 TYR 13 18.357 -2.174 -2.771
89 HD1 TYR 13 HD1 TYR 13 20.989 0.532 -2.803
90 HD2 TYR 13 HD2 TYR 13 16.826 -0.471 -3.169
91 HE1 TYR 13 HE1 TYR 13 20.440 2.926 -3.127
92 HE2 TYR 13 HE2 TYR 13 16.280 1.925 -3.478
93 HH TYR 13 HH TYR 13 18.669 4.291 -4.094
94 H ARG 14 HN ARG 14 18.405 -0.314 -0.382
95 HA ARG 14 HA ARG 14 19.670 2.106 -0.045
96 1HB ARG 14 HB2 ARG 14 17.367 1.581 0.786
97 2HB ARG 14 HB1 ARG 14 18.086 0.722 2.150
98 1HG ARG 14 HG2 ARG 14 19.365 3.235 2.049
99 2HG ARG 14 HG1 ARG 14 17.643 3.551 1.835
100 1HD ARG 14 HD2 ARG 14 17.098 2.767 3.926
101 2HD ARG 14 HD1 ARG 14 18.403 1.582 3.936
102 HE ARG 14 HE ARG 14 19.763 3.200 4.973
103 1HH1 ARG 14 HH21 ARG 14 17.002 4.530 5.581
104 2HH1 ARG 14 HH22 ARG 14 17.373 6.173 5.180
105 1HH2 ARG 14 HH11 ARG 14 20.296 5.380 3.492
106 2HH2 ARG 14 HH12 ARG 14 19.238 6.655 3.997
107 H LYS 15 HN LYS 15 19.827 -0.471 2.437
108 HA LYS 15 HA LYS 15 21.724 0.649 4.135
109 1HB LYS 15 HB2 LYS 15 21.643 -2.263 3.287
110 2HB LYS 15 HB1 LYS 15 22.343 -1.630 4.776
111 1HG LYS 15 HG2 LYS 15 19.423 -1.368 3.997
112 2HG LYS 15 HG1 LYS 15 20.058 -2.567 5.123
113 1HD LYS 15 HD2 LYS 15 20.985 0.098 5.809
114 2HD LYS 15 HD1 LYS 15 19.223 0.034 5.751
115 1HE LYS 15 HE2 LYS 15 19.173 -1.823 7.299
116 2HE LYS 15 HE1 LYS 15 20.929 -1.975 7.244
117 1HZ LYS 15 HZ1 LYS 15 19.925 0.646 7.965
118 2HZ LYS 15 HZ2 LYS 15 21.213 -0.246 8.622
119 3HZ LYS 15 HZ3 LYS 15 19.616 -0.579 9.097
120 H GLN 16 HN GLN 16 22.439 -1.407 1.291
121 HA GLN 16 HA GLN 16 25.202 -1.426 1.327
122 1HB GLN 16 HB2 GLN 16 23.349 -1.018 -1.036
123 2HB GLN 16 HB1 GLN 16 25.083 -1.285 -1.214
124 1HG GLN 16 HG2 GLN 16 23.049 -3.163 0.014
125 2HG GLN 16 HG1 GLN 16 24.032 -3.435 -1.425
126 1HE2 GLN 16 HE21 GLN 16 26.576 -2.980 -0.788
127 2HE2 GLN 16 HE22 GLN 16 27.079 -3.832 0.591
128 H MET 17 HN MET 17 23.127 1.278 0.339
129 HA MET 17 HA MET 17 24.933 3.058 -0.758
130 1HB MET 17 HB2 MET 17 22.797 3.657 1.307
131 2HB MET 17 HB1 MET 17 23.608 4.882 0.331
132 1HG MET 17 HG2 MET 17 22.485 2.600 -1.184
133 2HG MET 17 HG1 MET 17 21.297 3.652 -0.416
134 1HE MET 17 HE1 MET 17 22.329 2.708 -3.195
135 2HE MET 17 HE2 MET 17 23.820 3.523 -3.659
136 3HE MET 17 HE3 MET 17 22.285 4.056 -4.340
137 H ALA 18 HN ALA 18 24.179 3.346 2.720
138 HA ALA 18 HA ALA 18 26.337 4.862 3.513
139 1HB ALA 18 HB1 ALA 18 26.218 3.661 5.718
140 2HB ALA 18 HB2 ALA 18 25.122 2.501 4.967
141 3HB ALA 18 HB3 ALA 18 24.647 4.193 5.116
142 H VAL 19 HN VAL 19 26.365 1.297 3.550
143 HA VAL 19 HA VAL 19 28.973 0.752 4.215
144 HB VAL 19 HB VAL 19 27.163 -0.495 2.162
145 1HG1 VAL 19 HG11 VAL 19 28.903 -2.326 1.934
146 2HG1 VAL 19 HG12 VAL 19 30.062 -1.219 2.669
147 3HG1 VAL 19 HG13 VAL 19 29.314 -0.815 1.124
148 1HG2 VAL 19 HG21 VAL 19 26.601 -1.219 4.309
149 2HG2 VAL 19 HG22 VAL 19 28.268 -1.143 4.880
150 3HG2 VAL 19 HG23 VAL 19 27.757 -2.462 3.828
151 H LYS 20 HN LYS 20 27.968 1.532 0.845
152 HA LYS 20 HA LYS 20 30.784 1.923 0.098
153 1HB LYS 20 HB2 LYS 20 28.384 2.579 -1.612
154 2HB LYS 20 HB1 LYS 20 30.005 2.115 -2.132
155 1HG LYS 20 HG2 LYS 20 29.694 -0.141 -1.464
156 2HG LYS 20 HG1 LYS 20 28.268 0.257 -0.504
157 1HD LYS 20 HD2 LYS 20 28.422 0.569 -3.515
158 2HD LYS 20 HD1 LYS 20 27.722 -0.832 -2.702
159 1HE LYS 20 HE2 LYS 20 26.322 0.986 -1.409
160 2HE LYS 20 HE1 LYS 20 26.720 1.996 -2.799
161 1HZ LYS 20 HZ1 LYS 20 24.655 0.284 -2.701
162 2HZ LYS 20 HZ2 LYS 20 25.835 -0.670 -3.465
163 3HZ LYS 20 HZ3 LYS 20 25.384 0.825 -4.134
164 HN LYN 21 HN LYN 21 30.697 4.084 -1.603
165 HA LYN 21 HA LYN 21 29.587 6.370 -0.082
166 HB1 LYN 21 HB1 LYN 21 31.695 7.489 0.158
167 HB2 LYN 21 HB2 LYN 21 32.520 6.281 -0.828
168 HG1 LYN 21 HG1 LYN 21 33.019 5.803 1.488
169 HG2 LYN 21 HG2 LYN 21 31.900 4.564 0.918
170 HD1 LYN 21 HD1 LYN 21 30.908 5.180 2.938
171 HD2 LYN 21 HD2 LYN 21 30.066 6.239 1.807
172 HE1 LYN 21 HE1 LYN 21 30.977 7.367 3.907
173 HE2 LYN 21 HE2 LYN 21 31.463 8.101 2.379
174 HZ1 LYN 21 HZ1 LYN 21 33.168 5.991 3.454
175 HZ2 LYN 21 HZ2 LYN 21 33.196 7.489 4.255
176 HZ3 LYN 21 HZ3 LYN 21 33.589 7.397 2.605
177 H1 LYN 21 H1 LYN 21 30.469 8.498 -1.464
178 H2 LYN 21 H2 LYN 21 30.234 8.330 -3.137
Start of MODEL 23
1 1H HIS 1 HT1 HIS 1 2.278 3.646 2.420
2 2H HIS 1 HT2 HIS 1 1.273 2.379 1.898
3 3H HIS 1 HT3 HIS 1 0.662 3.960 2.014
4 HA HIS 1 HA HIS 1 1.093 3.381 -0.290
5 1HB HIS 1 HB2 HIS 1 1.424 5.729 0.586
6 2HB HIS 1 HB1 HIS 1 3.142 5.363 0.742
7 HD1 HIS 1 HD1 HIS 1 3.431 7.301 -1.123
8 HD2 HIS 1 HD2 HIS 1 1.586 3.794 -2.417
9 HE1 HIS 1 HE1 HIS 1 3.515 7.340 -3.654
10 H SER 2 HN SER 2 4.316 3.966 1.129
11 HA SER 2 HA SER 2 6.350 2.874 0.759
12 1HB SER 2 HB2 SER 2 4.781 0.398 0.067
13 2HB SER 2 HB1 SER 2 6.335 0.523 0.887
14 HG SER 2 HG SER 2 4.780 0.129 2.428
15 H ASP 3 HN ASP 3 7.725 2.134 -1.030
16 HA ASP 3 HA ASP 3 6.749 1.370 -3.598
17 1HB ASP 3 HB2 ASP 3 5.874 3.807 -3.306
18 2HB ASP 3 HB1 ASP 3 7.549 4.270 -3.604
19 H GLY 4 HN GLY 4 8.809 0.103 -2.902
20 1HA GLY 4 HA2 GLY 4 11.084 -0.325 -3.373
21 2HA GLY 4 HA1 GLY 4 11.100 1.151 -4.344
22 H ILE 5 HN ILE 5 12.225 2.848 -3.526
23 HA ILE 5 HA ILE 5 13.876 2.857 -1.337
24 HB ILE 5 HB ILE 5 14.004 4.747 -2.739
25 1HG1 ILE 5 HG12 ILE 5 12.693 5.607 -0.138
26 2HG1 ILE 5 HG11 ILE 5 14.421 5.408 -0.432
27 1HG2 ILE 5 HG21 ILE 5 11.048 5.012 -2.185
28 2HG2 ILE 5 HG22 ILE 5 11.845 4.740 -3.735
29 3HG2 ILE 5 HG23 ILE 5 11.988 6.304 -2.933
30 1HD1 ILE 5 HD11 ILE 5 14.156 7.714 -0.697
31 2HD1 ILE 5 HD12 ILE 5 12.565 7.546 -1.440
32 3HD1 ILE 5 HD13 ILE 5 14.015 7.142 -2.359
33 H PHE 6 HN PHE 6 10.388 3.186 -1.249
34 HA PHE 6 HA PHE 6 10.557 3.574 1.706
35 1HB PHE 6 HB2 PHE 6 8.705 4.507 -0.378
36 2HB PHE 6 HB1 PHE 6 7.902 3.855 1.052
37 HD1 PHE 6 HD1 PHE 6 9.969 6.542 -0.283
38 HD2 PHE 6 HD2 PHE 6 8.386 4.789 3.302
39 HE1 PHE 6 HE1 PHE 6 10.495 8.623 0.963
40 HE2 PHE 6 HE2 PHE 6 8.910 6.869 4.552
41 HZ PHE 6 HZ PHE 6 9.965 8.786 3.382
42 H THR 7 HN THR 7 11.103 1.180 1.795
43 HA THR 7 HA THR 7 8.811 -0.340 2.518
44 HB THR 7 HB THR 7 8.455 -0.399 0.058
45 HG1 THR 7 HG1 THR 7 7.983 -2.201 1.513
46 1HG2 THR 7 HG21 THR 7 10.544 -2.258 -0.598
47 2HG2 THR 7 HG22 THR 7 11.258 -0.774 0.035
48 3HG2 THR 7 HG23 THR 7 10.170 -0.708 -1.352
49 H ASP 8 HN ASP 8 10.236 -2.874 1.448
50 HA ASP 8 HA ASP 8 12.220 -2.908 3.651
51 1HB ASP 8 HB2 ASP 8 10.461 -4.660 3.628
52 2HB ASP 8 HB1 ASP 8 11.059 -5.212 2.063
53 H SER 9 HN SER 9 12.000 -4.284 0.339
54 HA SER 9 HA SER 9 14.585 -5.023 -0.138
55 1HB SER 9 HB2 SER 9 14.207 -3.732 -2.456
56 2HB SER 9 HB1 SER 9 13.402 -5.246 -2.069
57 HG SER 9 HG SER 9 12.100 -3.310 -2.790
58 H TYR 10 HN TYR 10 13.553 -1.658 -0.875
59 HA TYR 10 HA TYR 10 16.042 -0.530 -1.295
60 1HB TYR 10 HB2 TYR 10 14.800 1.338 -1.384
61 2HB TYR 10 HB1 TYR 10 13.435 0.414 -0.785
62 HD1 TYR 10 HD1 TYR 10 12.819 0.459 1.592
63 HD2 TYR 10 HD2 TYR 10 16.124 2.768 0.106
64 HE1 TYR 10 HE1 TYR 10 12.849 1.765 3.696
65 HE2 TYR 10 HE2 TYR 10 16.152 4.075 2.212
66 HH TYR 10 HH TYR 10 14.549 3.115 4.996
67 H SER 11 HN SER 11 14.444 -0.880 1.877
68 HA SER 11 HA SER 11 16.433 0.190 3.515
69 1HB SER 11 HB2 SER 11 14.277 -0.612 4.371
70 2HB SER 11 HB1 SER 11 14.733 -2.276 4.008
71 HG SER 11 HG SER 11 15.085 -1.517 6.235
72 H ARG 12 HN ARG 12 16.183 -3.189 2.377
73 HA ARG 12 HA ARG 12 18.809 -3.890 3.415
74 1HB ARG 12 HB2 ARG 12 18.442 -6.029 2.424
75 2HB ARG 12 HB1 ARG 12 16.848 -5.496 2.949
76 1HG ARG 12 HG2 ARG 12 16.167 -4.980 0.761
77 2HG ARG 12 HG1 ARG 12 17.817 -4.941 0.146
78 1HD ARG 12 HD2 ARG 12 16.407 -7.024 -0.411
79 2HD ARG 12 HD1 ARG 12 18.025 -7.298 0.236
80 HE ARG 12 HE ARG 12 15.657 -7.335 2.054
81 1HH1 ARG 12 HH11 ARG 12 18.856 -8.024 2.073
82 2HH1 ARG 12 HH12 ARG 12 18.716 -9.695 2.508
83 1HH2 ARG 12 HH21 ARG 12 15.288 -9.815 1.999
84 2HH2 ARG 12 HH22 ARG 12 16.696 -10.708 2.466
85 H TYR 13 HN TYR 13 17.557 -2.444 0.547
86 HA TYR 13 HA TYR 13 20.008 -2.954 -1.011
87 1HB TYR 13 HB2 TYR 13 18.431 -2.896 -2.636
88 2HB TYR 13 HB1 TYR 13 17.249 -2.171 -1.556
89 HD1 TYR 13 HD1 TYR 13 17.636 0.403 -1.026
90 HD2 TYR 13 HD2 TYR 13 19.219 -1.662 -4.443
91 HE1 TYR 13 HE1 TYR 13 17.891 2.563 -2.212
92 HE2 TYR 13 HE2 TYR 13 19.477 0.498 -5.629
93 HH TYR 13 HH TYR 13 18.756 3.580 -4.014
94 H ARG 14 HN ARG 14 19.190 -0.873 1.413
95 HA ARG 14 HA ARG 14 20.537 1.495 0.245
96 1HB ARG 14 HB2 ARG 14 18.417 1.446 1.844
97 2HB ARG 14 HB1 ARG 14 19.651 1.375 3.104
98 1HG ARG 14 HG2 ARG 14 20.728 3.348 1.696
99 2HG ARG 14 HG1 ARG 14 19.067 3.561 1.143
100 1HD ARG 14 HD2 ARG 14 18.765 4.770 3.033
101 2HD ARG 14 HD1 ARG 14 18.759 3.218 3.870
102 HE ARG 14 HE ARG 14 21.450 3.872 3.679
103 1HH1 ARG 14 HH21 ARG 14 18.634 4.730 5.388
104 2HH1 ARG 14 HH22 ARG 14 19.415 5.909 6.388
105 1HH2 ARG 14 HH11 ARG 14 22.458 5.680 4.742
106 2HH2 ARG 14 HH12 ARG 14 21.580 6.447 6.022
107 H LYS 15 HN LYS 15 20.829 -0.127 3.429
108 HA LYS 15 HA LYS 15 23.335 0.740 4.170
109 1HB LYS 15 HB2 LYS 15 22.025 -1.957 4.495
110 2HB LYS 15 HB1 LYS 15 23.630 -1.644 5.157
111 1HG LYS 15 HG2 LYS 15 22.335 -1.003 6.963
112 2HG LYS 15 HG1 LYS 15 22.428 0.535 6.103
113 1HD LYS 15 HD2 LYS 15 20.242 0.419 5.371
114 2HD LYS 15 HD1 LYS 15 20.233 -1.345 5.347
115 1HE LYS 15 HE2 LYS 15 20.428 0.175 7.945
116 2HE LYS 15 HE1 LYS 15 18.865 -0.165 7.202
117 1HZ LYS 15 HZ1 LYS 15 20.835 -2.027 8.326
118 2HZ LYS 15 HZ2 LYS 15 19.838 -2.559 7.057
119 3HZ LYS 15 HZ3 LYS 15 19.148 -2.004 8.507
120 H GLN 16 HN GLN 16 22.698 -2.060 2.038
121 HA GLN 16 HA GLN 16 25.274 -2.951 1.543
122 1HB GLN 16 HB2 GLN 16 22.997 -2.558 -0.417
123 2HB GLN 16 HB1 GLN 16 24.493 -3.391 -0.840
124 1HG GLN 16 HG2 GLN 16 22.483 -4.184 1.282
125 2HG GLN 16 HG1 GLN 16 22.931 -5.087 -0.166
126 1HE2 GLN 16 HE21 GLN 16 25.469 -5.540 -0.247
127 2HE2 GLN 16 HE22 GLN 16 26.156 -6.058 1.217
128 H MET 17 HN MET 17 23.742 -0.031 0.260
129 HA MET 17 HA MET 17 25.470 0.813 -1.706
130 1HB MET 17 HB2 MET 17 24.361 2.468 0.576
131 2HB MET 17 HB1 MET 17 25.094 3.150 -0.876
132 1HG MET 17 HG2 MET 17 23.269 1.311 -1.880
133 2HG MET 17 HG1 MET 17 22.423 2.020 -0.504
134 1HE MET 17 HE1 MET 17 20.694 2.733 -2.236
135 2HE MET 17 HE2 MET 17 21.613 2.297 -3.675
136 3HE MET 17 HE3 MET 17 20.936 3.917 -3.528
137 H ALA 18 HN ALA 18 26.019 1.942 1.640
138 HA ALA 18 HA ALA 18 28.587 2.879 1.413
139 1HB ALA 18 HB1 ALA 18 27.596 3.048 3.551
140 2HB ALA 18 HB2 ALA 18 28.944 1.936 3.790
141 3HB ALA 18 HB3 ALA 18 27.301 1.311 3.641
142 H VAL 19 HN VAL 19 27.833 -0.519 2.179
143 HA VAL 19 HA VAL 19 30.364 -1.621 2.235
144 HB VAL 19 HB VAL 19 27.772 -2.654 1.115
145 1HG1 VAL 19 HG11 VAL 19 29.007 -4.909 0.930
146 2HG1 VAL 19 HG12 VAL 19 30.489 -3.954 0.874
147 3HG1 VAL 19 HG13 VAL 19 29.261 -3.750 -0.375
148 1HG2 VAL 19 HG21 VAL 19 28.154 -4.312 2.973
149 2HG2 VAL 19 HG22 VAL 19 28.049 -2.642 3.531
150 3HG2 VAL 19 HG23 VAL 19 29.621 -3.429 3.394
151 H LYS 20 HN LYS 20 28.507 -1.165 -0.824
152 HA LYS 20 HA LYS 20 30.733 -1.874 -2.493
153 1HB LYS 20 HB2 LYS 20 28.360 -0.138 -3.222
154 2HB LYS 20 HB1 LYS 20 29.387 -1.044 -4.333
155 1HG LYS 20 HG2 LYS 20 28.669 -3.157 -3.252
156 2HG LYS 20 HG1 LYS 20 27.606 -2.237 -2.187
157 1HD LYS 20 HD2 LYS 20 27.390 -1.905 -5.168
158 2HD LYS 20 HD1 LYS 20 26.618 -3.281 -4.378
159 1HE LYS 20 HE2 LYS 20 25.083 -1.968 -3.280
160 2HE LYS 20 HE1 LYS 20 26.191 -0.603 -3.144
161 1HZ LYS 20 HZ1 LYS 20 25.182 -1.435 -5.783
162 2HZ LYS 20 HZ2 LYS 20 25.748 0.087 -5.282
163 3HZ LYS 20 HZ3 LYS 20 24.222 -0.463 -4.777
164 HN LYN 21 HN LYN 21 30.260 0.830 -0.585
165 HA LYN 21 HA LYN 21 32.317 2.312 -2.147
166 HB1 LYN 21 HB1 LYN 21 30.062 3.289 -2.623
167 HB2 LYN 21 HB2 LYN 21 31.145 4.422 -1.813
168 HG1 LYN 21 HG1 LYN 21 30.073 3.494 0.380
169 HG2 LYN 21 HG2 LYN 21 28.790 2.919 -0.685
170 HD1 LYN 21 HD1 LYN 21 27.907 4.995 -0.446
171 HD2 LYN 21 HD2 LYN 21 29.179 5.516 -1.551
172 HE1 LYN 21 HE1 LYN 21 30.479 5.409 0.896
173 HE2 LYN 21 HE2 LYN 21 28.880 6.018 1.322
174 HZ1 LYN 21 HZ1 LYN 21 30.565 7.737 0.667
175 HZ2 LYN 21 HZ2 LYN 21 29.095 7.797 -0.183
176 HZ3 LYN 21 HZ3 LYN 21 30.475 7.127 -0.913
177 H1 LYN 21 H1 LYN 21 32.464 0.661 0.342
178 H2 LYN 21 H2 LYN 21 33.006 1.711 1.561
Start of MODEL 24
1 1H HIS 1 HT1 HIS 1 1.222 3.468 2.375
2 2H HIS 1 HT2 HIS 1 2.911 3.361 2.527
3 3H HIS 1 HT3 HIS 1 2.001 1.981 2.134
4 HA HIS 1 HA HIS 1 1.396 2.912 0.013
5 1HB HIS 1 HB2 HIS 1 1.453 5.293 0.914
6 2HB HIS 1 HB1 HIS 1 3.206 5.229 0.736
7 HD1 HIS 1 HD1 HIS 1 2.394 7.268 -1.043
8 HD2 HIS 1 HD2 HIS 1 1.776 3.302 -2.170
9 HE1 HIS 1 HE1 HIS 1 2.094 7.276 -3.558
10 H SER 2 HN SER 2 4.638 4.043 1.016
11 HA SER 2 HA SER 2 6.764 3.293 0.366
12 1HB SER 2 HB2 SER 2 5.138 0.758 0.255
13 2HB SER 2 HB1 SER 2 6.834 0.769 -0.218
14 HG SER 2 HG SER 2 6.159 0.372 2.115
15 H ASP 3 HN ASP 3 7.967 2.428 -1.604
16 HA ASP 3 HA ASP 3 6.597 1.963 -4.086
17 1HB ASP 3 HB2 ASP 3 6.153 4.475 -3.448
18 2HB ASP 3 HB1 ASP 3 7.796 4.707 -4.041
19 H GLY 4 HN GLY 4 8.544 0.397 -3.706
20 1HA GLY 4 HA2 GLY 4 10.632 -0.278 -4.595
21 2HA GLY 4 HA1 GLY 4 10.776 1.311 -5.351
22 H ILE 5 HN ILE 5 12.233 2.704 -4.456
23 HA ILE 5 HA ILE 5 13.946 1.939 -2.347
24 HB ILE 5 HB ILE 5 14.564 3.690 -3.902
25 1HG1 ILE 5 HG12 ILE 5 15.280 3.688 -1.365
26 2HG1 ILE 5 HG11 ILE 5 15.695 5.059 -2.389
27 1HG2 ILE 5 HG21 ILE 5 12.595 4.803 -4.464
28 2HG2 ILE 5 HG22 ILE 5 13.411 5.993 -3.450
29 3HG2 ILE 5 HG23 ILE 5 12.111 5.007 -2.781
30 1HD1 ILE 5 HD11 ILE 5 14.368 6.471 -1.214
31 2HD1 ILE 5 HD12 ILE 5 14.348 5.215 0.024
32 3HD1 ILE 5 HD13 ILE 5 13.041 5.312 -1.156
33 H PHE 6 HN PHE 6 10.682 2.966 -2.068
34 HA PHE 6 HA PHE 6 11.141 3.756 0.773
35 1HB PHE 6 HB2 PHE 6 9.598 4.958 -1.215
36 2HB PHE 6 HB1 PHE 6 8.421 4.085 -0.231
37 HD1 PHE 6 HD1 PHE 6 9.117 4.199 2.435
38 HD2 PHE 6 HD2 PHE 6 9.951 7.154 -0.567
39 HE1 PHE 6 HE1 PHE 6 9.300 5.938 4.197
40 HE2 PHE 6 HE2 PHE 6 10.133 8.894 1.193
41 HZ PHE 6 HZ PHE 6 9.808 8.285 3.576
42 H THR 7 HN THR 7 11.403 1.382 1.262
43 HA THR 7 HA THR 7 8.990 0.234 2.261
44 HB THR 7 HB THR 7 8.431 -0.175 -0.066
45 HG1 THR 7 HG1 THR 7 8.080 -1.880 1.459
46 1HG2 THR 7 HG21 THR 7 11.194 -0.326 -0.380
47 2HG2 THR 7 HG22 THR 7 9.986 -0.615 -1.633
48 3HG2 THR 7 HG23 THR 7 10.633 -1.967 -0.703
49 H ASP 8 HN ASP 8 9.990 -2.559 1.603
50 HA ASP 8 HA ASP 8 12.053 -2.607 3.709
51 1HB ASP 8 HB2 ASP 8 10.323 -4.240 4.007
52 2HB ASP 8 HB1 ASP 8 10.452 -4.774 2.330
53 H SER 9 HN SER 9 11.646 -3.898 0.389
54 HA SER 9 HA SER 9 14.099 -5.024 -0.109
55 1HB SER 9 HB2 SER 9 13.833 -3.437 -2.346
56 2HB SER 9 HB1 SER 9 13.074 -5.006 -2.118
57 HG SER 9 HG SER 9 11.906 -2.654 -2.380
58 H TYR 10 HN TYR 10 13.574 -1.552 -0.833
59 HA TYR 10 HA TYR 10 16.220 -0.776 -1.132
60 1HB TYR 10 HB2 TYR 10 15.294 1.267 -1.300
61 2HB TYR 10 HB1 TYR 10 13.756 0.502 -0.932
62 HD1 TYR 10 HD1 TYR 10 16.318 2.777 0.212
63 HD2 TYR 10 HD2 TYR 10 13.009 0.362 1.498
64 HE1 TYR 10 HE1 TYR 10 16.174 4.094 2.306
65 HE2 TYR 10 HE2 TYR 10 12.864 1.678 3.594
66 HH TYR 10 HH TYR 10 15.202 3.499 4.786
67 H SER 11 HN SER 11 14.419 -1.021 1.924
68 HA SER 11 HA SER 11 16.441 -0.042 3.632
69 1HB SER 11 HB2 SER 11 14.240 -0.495 4.485
70 2HB SER 11 HB1 SER 11 14.344 -2.191 4.039
71 HG SER 11 HG SER 11 14.985 -1.156 6.327
72 H ARG 12 HN ARG 12 16.045 -3.170 2.098
73 HA ARG 12 HA ARG 12 18.373 -4.295 3.513
74 1HB ARG 12 HB2 ARG 12 17.811 -6.372 2.510
75 2HB ARG 12 HB1 ARG 12 16.265 -5.619 2.884
76 1HG ARG 12 HG2 ARG 12 15.729 -5.311 0.680
77 2HG ARG 12 HG1 ARG 12 17.397 -5.051 0.186
78 1HD ARG 12 HD2 ARG 12 16.274 -7.736 1.015
79 2HD ARG 12 HD1 ARG 12 16.442 -7.205 -0.659
80 HE ARG 12 HE ARG 12 18.981 -6.871 0.288
81 1HH1 ARG 12 HH21 ARG 12 17.112 -9.394 -0.808
82 2HH1 ARG 12 HH22 ARG 12 18.104 -10.660 -0.165
83 1HH2 ARG 12 HH11 ARG 12 20.096 -8.517 1.695
84 2HH2 ARG 12 HH12 ARG 12 19.794 -10.163 1.252
85 H TYR 13 HN TYR 13 17.606 -2.861 0.412
86 HA TYR 13 HA TYR 13 20.252 -3.615 -0.680
87 1HB TYR 13 HB2 TYR 13 19.093 -3.629 -2.621
88 2HB TYR 13 HB1 TYR 13 17.663 -3.034 -1.795
89 HD1 TYR 13 HD1 TYR 13 20.995 -1.568 -2.767
90 HD2 TYR 13 HD2 TYR 13 16.716 -1.185 -2.840
91 HE1 TYR 13 HE1 TYR 13 21.209 0.586 -3.975
92 HE2 TYR 13 HE2 TYR 13 16.932 0.973 -4.038
93 HH TYR 13 HH TYR 13 19.956 2.590 -4.388
94 H ARG 14 HN ARG 14 18.337 -0.640 -0.255
95 HA ARG 14 HA ARG 14 20.170 1.353 -0.724
96 1HB ARG 14 HB2 ARG 14 17.854 1.728 0.159
97 2HB ARG 14 HB1 ARG 14 18.419 1.244 1.759
98 1HG ARG 14 HG2 ARG 14 20.258 3.173 0.833
99 2HG ARG 14 HG1 ARG 14 18.654 3.806 0.466
100 1HD ARG 14 HD2 ARG 14 18.229 4.208 2.642
101 2HD ARG 14 HD1 ARG 14 18.723 2.578 3.099
102 HE ARG 14 HE ARG 14 20.856 3.435 3.658
103 1HH1 ARG 14 HH21 ARG 14 20.531 5.047 0.884
104 2HH1 ARG 14 HH22 ARG 14 20.980 6.617 1.462
105 1HH2 ARG 14 HH11 ARG 14 20.788 5.730 4.809
106 2HH2 ARG 14 HH12 ARG 14 21.125 7.003 3.685
107 H LYS 15 HN LYS 15 19.825 -0.178 2.498
108 HA LYS 15 HA LYS 15 22.024 0.944 3.776
109 1HB LYS 15 HB2 LYS 15 21.181 -1.968 3.947
110 2HB LYS 15 HB1 LYS 15 22.125 -1.090 5.151
111 1HG LYS 15 HG2 LYS 15 19.333 -0.286 4.284
112 2HG LYS 15 HG1 LYS 15 19.678 -1.262 5.711
113 1HD LYS 15 HD2 LYS 15 21.384 1.056 5.711
114 2HD LYS 15 HD1 LYS 15 19.706 1.563 5.513
115 1HE LYS 15 HE2 LYS 15 19.272 -0.191 7.440
116 2HE LYS 15 HE1 LYS 15 20.979 0.080 7.786
117 1HZ LYS 15 HZ1 LYS 15 20.058 2.582 7.429
118 2HZ LYS 15 HZ2 LYS 15 20.235 1.824 8.939
119 3HZ LYS 15 HZ3 LYS 15 18.724 1.836 8.162
120 H GLN 16 HN GLN 16 22.068 -2.054 1.817
121 HA GLN 16 HA GLN 16 24.755 -2.708 1.930
122 1HB GLN 16 HB2 GLN 16 22.922 -2.714 -0.485
123 2HB GLN 16 HB1 GLN 16 24.519 -3.461 -0.479
124 1HG GLN 16 HG2 GLN 16 22.111 -4.211 1.191
125 2HG GLN 16 HG1 GLN 16 22.995 -5.219 0.045
126 1HE2 GLN 16 HE21 GLN 16 22.519 -5.588 3.038
127 2HE2 GLN 16 HE22 GLN 16 24.072 -5.783 3.695
128 H MET 17 HN MET 17 23.280 -0.056 0.115
129 HA MET 17 HA MET 17 25.332 0.761 -1.556
130 1HB MET 17 HB2 MET 17 23.636 2.534 0.228
131 2HB MET 17 HB1 MET 17 24.563 3.094 -1.164
132 1HG MET 17 HG2 MET 17 22.797 0.796 -1.717
133 2HG MET 17 HG1 MET 17 21.951 2.281 -1.282
134 1HE MET 17 HE1 MET 17 24.667 0.861 -4.185
135 2HE MET 17 HE2 MET 17 23.172 0.939 -5.113
136 3HE MET 17 HE3 MET 17 23.183 0.146 -3.540
137 H ALA 18 HN ALA 18 25.000 2.403 1.587
138 HA ALA 18 HA ALA 18 27.560 3.424 1.789
139 1HB ALA 18 HB1 ALA 18 26.200 4.054 3.567
140 2HB ALA 18 HB2 ALA 18 27.251 2.879 4.357
141 3HB ALA 18 HB3 ALA 18 25.631 2.408 3.844
142 H VAL 19 HN VAL 19 26.593 0.288 3.181
143 HA VAL 19 HA VAL 19 28.996 -0.720 4.048
144 HB VAL 19 HB VAL 19 26.718 -2.040 2.594
145 1HG1 VAL 19 HG11 VAL 19 29.368 -3.301 3.321
146 2HG1 VAL 19 HG12 VAL 19 28.499 -3.396 1.789
147 3HG1 VAL 19 HG13 VAL 19 27.886 -4.250 3.206
148 1HG2 VAL 19 HG21 VAL 19 27.899 -2.661 5.307
149 2HG2 VAL 19 HG22 VAL 19 26.265 -2.985 4.728
150 3HG2 VAL 19 HG23 VAL 19 26.764 -1.330 5.080
151 H LYS 20 HN LYS 20 27.928 -0.964 0.619
152 HA LYS 20 HA LYS 20 30.596 -1.824 -0.212
153 1HB LYS 20 HB2 LYS 20 28.356 -0.865 -2.005
154 2HB LYS 20 HB1 LYS 20 29.676 -1.964 -2.411
155 1HG LYS 20 HG2 LYS 20 28.776 -3.707 -1.051
156 2HG LYS 20 HG1 LYS 20 27.636 -2.607 -0.274
157 1HD LYS 20 HD2 LYS 20 27.601 -3.255 -3.234
158 2HD LYS 20 HD1 LYS 20 26.591 -4.067 -2.038
159 1HE LYS 20 HE2 LYS 20 25.111 -2.375 -2.096
160 2HE LYS 20 HE1 LYS 20 26.377 -1.226 -1.664
161 1HZ LYS 20 HZ1 LYS 20 25.091 -1.198 -3.992
162 2HZ LYS 20 HZ2 LYS 20 26.418 -2.175 -4.405
163 3HZ LYS 20 HZ3 LYS 20 26.669 -0.611 -3.790
164 HN LYN 21 HN LYN 21 30.952 0.552 1.105
165 HA LYN 21 HA LYN 21 30.994 2.725 -0.900
166 HB1 LYN 21 HB1 LYN 21 32.317 3.640 1.366
167 HB2 LYN 21 HB2 LYN 21 31.113 2.528 2.018
168 HG1 LYN 21 HG1 LYN 21 29.467 4.013 1.615
169 HG2 LYN 21 HG2 LYN 21 29.937 4.125 -0.081
170 HD1 LYN 21 HD1 LYN 21 31.777 5.505 1.756
171 HD2 LYN 21 HD2 LYN 21 30.144 6.173 1.751
172 HE1 LYN 21 HE1 LYN 21 30.596 5.776 -0.930
173 HE2 LYN 21 HE2 LYN 21 32.204 6.219 -0.358
174 HZ1 LYN 21 HZ1 LYN 21 29.697 7.755 0.050
175 HZ2 LYN 21 HZ2 LYN 21 30.999 8.188 -0.951
176 HZ3 LYN 21 HZ3 LYN 21 31.194 8.159 0.737
177 H1 LYN 21 H1 LYN 21 32.886 0.137 -0.626
178 H2 LYN 21 H2 LYN 21 34.421 0.809 -0.899
Start of MODEL 25
1 1H HIS 1 HT1 HIS 1 4.264 9.046 2.850
2 2H HIS 1 HT2 HIS 1 3.209 7.753 3.170
3 3H HIS 1 HT3 HIS 1 2.605 9.211 2.540
4 HA HIS 1 HA HIS 1 2.772 7.429 0.858
5 1HB HIS 1 HB2 HIS 1 2.933 9.905 0.337
6 2HB HIS 1 HB1 HIS 1 4.687 9.722 0.359
7 HD1 HIS 1 HD1 HIS 1 5.129 10.006 -2.135
8 HD2 HIS 1 HD2 HIS 1 2.287 7.064 -1.330
9 HE1 HIS 1 HE1 HIS 1 4.705 8.803 -4.323
10 H SER 2 HN SER 2 4.106 5.934 -0.215
11 HA SER 2 HA SER 2 6.993 5.926 0.188
12 1HB SER 2 HB2 SER 2 5.204 4.063 1.727
13 2HB SER 2 HB1 SER 2 6.808 3.532 1.231
14 HG SER 2 HG SER 2 7.422 4.569 2.956
15 H ASP 3 HN ASP 3 7.985 4.027 -0.966
16 HA ASP 3 HA ASP 3 6.381 2.257 -2.579
17 1HB ASP 3 HB2 ASP 3 6.017 4.597 -3.615
18 2HB ASP 3 HB1 ASP 3 7.682 4.453 -4.179
19 H GLY 4 HN GLY 4 8.289 1.096 -1.384
20 1HA GLY 4 HA2 GLY 4 10.289 -0.123 -1.717
21 2HA GLY 4 HA1 GLY 4 10.405 0.601 -3.324
22 H ILE 5 HN ILE 5 11.958 2.126 -3.608
23 HA ILE 5 HA ILE 5 13.980 2.782 -1.879
24 HB ILE 5 HB ILE 5 14.186 3.630 -4.066
25 1HG1 ILE 5 HG12 ILE 5 13.579 5.969 -2.226
26 2HG1 ILE 5 HG11 ILE 5 15.152 5.216 -2.492
27 1HG2 ILE 5 HG21 ILE 5 11.515 4.953 -3.551
28 2HG2 ILE 5 HG22 ILE 5 11.873 3.671 -4.708
29 3HG2 ILE 5 HG23 ILE 5 12.510 5.295 -4.966
30 1HD1 ILE 5 HD11 ILE 5 14.966 5.854 -4.919
31 2HD1 ILE 5 HD12 ILE 5 15.054 7.235 -3.826
32 3HD1 ILE 5 HD13 ILE 5 13.504 6.754 -4.516
33 H PHE 6 HN PHE 6 10.705 4.025 -1.727
34 HA PHE 6 HA PHE 6 11.534 5.742 0.572
35 1HB PHE 6 HB2 PHE 6 9.533 6.018 -1.561
36 2HB PHE 6 HB1 PHE 6 8.909 6.380 0.050
37 HD1 PHE 6 HD1 PHE 6 10.786 7.693 1.562
38 HD2 PHE 6 HD2 PHE 6 10.389 7.837 -2.711
39 HE1 PHE 6 HE1 PHE 6 11.957 9.882 1.527
40 HE2 PHE 6 HE2 PHE 6 11.557 10.026 -2.749
41 HZ PHE 6 HZ PHE 6 12.342 11.048 -0.629
42 H THR 7 HN THR 7 11.603 3.647 1.854
43 HA THR 7 HA THR 7 9.250 3.362 3.424
44 HB THR 7 HB THR 7 8.397 2.218 1.391
45 HG1 THR 7 HG1 THR 7 7.953 0.191 2.528
46 1HG2 THR 7 HG21 THR 7 9.907 -0.214 1.646
47 2HG2 THR 7 HG22 THR 7 11.007 1.133 1.353
48 3HG2 THR 7 HG23 THR 7 9.691 0.807 0.225
49 H ASP 8 HN ASP 8 9.923 0.334 3.702
50 HA ASP 8 HA ASP 8 12.248 0.843 5.472
51 1HB ASP 8 HB2 ASP 8 10.399 -0.140 6.637
52 2HB ASP 8 HB1 ASP 8 10.189 -1.369 5.390
53 H SER 9 HN SER 9 11.128 -1.873 3.405
54 HA SER 9 HA SER 9 13.381 -3.394 3.199
55 1HB SER 9 HB2 SER 9 12.802 -3.380 0.586
56 2HB SER 9 HB1 SER 9 11.808 -4.217 1.771
57 HG SER 9 HG SER 9 10.926 -2.479 0.165
58 H TYR 10 HN TYR 10 12.874 -0.687 0.886
59 HA TYR 10 HA TYR 10 15.394 -0.617 -0.250
60 1HB TYR 10 HB2 TYR 10 14.529 1.221 -1.209
61 2HB TYR 10 HB1 TYR 10 13.171 1.112 -0.106
62 HD1 TYR 10 HD1 TYR 10 13.077 2.479 1.931
63 HD2 TYR 10 HD2 TYR 10 16.378 2.781 -0.802
64 HE1 TYR 10 HE1 TYR 10 13.787 4.587 3.023
65 HE2 TYR 10 HE2 TYR 10 17.086 4.890 0.291
66 HH TYR 10 HH TYR 10 16.654 5.860 2.867
67 H SER 11 HN SER 11 14.434 1.065 2.748
68 HA SER 11 HA SER 11 16.882 2.220 3.429
69 1HB SER 11 HB2 SER 11 14.844 2.560 4.742
70 2HB SER 11 HB1 SER 11 14.866 0.873 5.254
71 HG SER 11 HG SER 11 15.805 2.254 6.819
72 H ARG 12 HN ARG 12 15.764 -1.070 4.275
73 HA ARG 12 HA ARG 12 18.363 -1.850 5.317
74 1HB ARG 12 HB2 ARG 12 17.402 -4.012 5.624
75 2HB ARG 12 HB1 ARG 12 16.081 -2.884 5.912
76 1HG ARG 12 HG2 ARG 12 15.092 -3.330 3.822
77 2HG ARG 12 HG1 ARG 12 16.553 -4.073 3.177
78 1HD ARG 12 HD2 ARG 12 15.014 -5.218 5.517
79 2HD ARG 12 HD1 ARG 12 14.723 -5.700 3.845
80 HE ARG 12 HE ARG 12 17.393 -6.116 4.030
81 1HH1 ARG 12 HH21 ARG 12 14.681 -7.736 5.035
82 2HH1 ARG 12 HH22 ARG 12 15.473 -8.741 6.203
83 1HH2 ARG 12 HH11 ARG 12 18.482 -7.026 6.028
84 2HH2 ARG 12 HH12 ARG 12 17.625 -8.339 6.764
85 H TYR 13 HN TYR 13 16.859 -1.715 2.219
86 HA TYR 13 HA TYR 13 18.797 -3.562 0.983
87 1HB TYR 13 HB2 TYR 13 16.959 -3.884 -0.302
88 2HB TYR 13 HB1 TYR 13 16.189 -2.429 0.313
89 HD1 TYR 13 HD1 TYR 13 17.602 -3.972 -2.536
90 HD2 TYR 13 HD2 TYR 13 17.161 -0.149 -0.629
91 HE1 TYR 13 HE1 TYR 13 18.030 -2.843 -4.701
92 HE2 TYR 13 HE2 TYR 13 17.591 0.980 -2.793
93 HH TYR 13 HH TYR 13 18.288 0.689 -4.912
94 H ARG 14 HN ARG 14 18.889 -0.423 2.002
95 HA ARG 14 HA ARG 14 20.400 0.612 -0.325
96 1HB ARG 14 HB2 ARG 14 18.690 1.927 1.206
97 2HB ARG 14 HB1 ARG 14 20.101 2.125 2.247
98 1HG ARG 14 HG2 ARG 14 21.252 2.780 -0.074
99 2HG ARG 14 HG1 ARG 14 19.593 3.215 -0.486
100 1HD ARG 14 HD2 ARG 14 19.530 4.511 1.714
101 2HD ARG 14 HD1 ARG 14 21.277 4.281 1.789
102 HE ARG 14 HE ARG 14 19.913 5.730 -0.448
103 1HH1 ARG 14 HH11 ARG 14 21.651 6.468 2.222
104 2HH1 ARG 14 HH12 ARG 14 23.001 7.191 1.412
105 1HH2 ARG 14 HH21 ARG 14 22.039 6.095 -1.734
106 2HH2 ARG 14 HH22 ARG 14 23.220 6.980 -0.827
107 H LYS 15 HN LYS 15 21.028 0.704 3.205
108 HA LYS 15 HA LYS 15 23.748 1.124 3.193
109 1HB LYS 15 HB2 LYS 15 22.050 -0.639 4.955
110 2HB LYS 15 HB1 LYS 15 23.786 -0.490 5.230
111 1HG LYS 15 HG2 LYS 15 23.051 1.256 6.550
112 2HG LYS 15 HG1 LYS 15 23.223 2.110 5.016
113 1HD LYS 15 HD2 LYS 15 20.914 2.086 4.595
114 2HD LYS 15 HD1 LYS 15 20.629 0.753 5.714
115 1HE LYS 15 HE2 LYS 15 21.829 2.996 7.098
116 2HE LYS 15 HE1 LYS 15 20.360 3.500 6.263
117 1HZ LYS 15 HZ1 LYS 15 19.182 1.666 7.302
118 2HZ LYS 15 HZ2 LYS 15 19.876 2.676 8.479
119 3HZ LYS 15 HZ3 LYS 15 20.595 1.182 8.106
120 H GLN 16 HN GLN 16 22.163 -2.051 2.769
121 HA GLN 16 HA GLN 16 24.359 -3.738 2.631
122 1HB GLN 16 HB2 GLN 16 21.902 -3.678 0.857
123 2HB GLN 16 HB1 GLN 16 23.083 -4.986 0.816
124 1HG GLN 16 HG2 GLN 16 21.363 -4.133 3.157
125 2HG GLN 16 HG1 GLN 16 21.343 -5.683 2.316
126 1HE2 GLN 16 HE21 GLN 16 23.588 -6.873 2.384
127 2HE2 GLN 16 HE22 GLN 16 24.433 -6.792 3.854
128 H MET 17 HN MET 17 23.234 -1.487 0.131
129 HA MET 17 HA MET 17 24.762 -2.139 -2.062
130 1HB MET 17 HB2 MET 17 24.359 0.621 -0.877
131 2HB MET 17 HB1 MET 17 24.981 0.324 -2.501
132 1HG MET 17 HG2 MET 17 22.514 -1.158 -1.899
133 2HG MET 17 HG1 MET 17 22.313 0.594 -1.862
134 1HE MET 17 HE1 MET 17 21.140 -1.069 -5.361
135 2HE MET 17 HE2 MET 17 20.555 -0.390 -3.845
136 3HE MET 17 HE3 MET 17 21.348 -1.963 -3.848
137 H ALA 18 HN ALA 18 26.037 0.260 0.268
138 HA ALA 18 HA ALA 18 28.667 0.333 -0.504
139 1HB ALA 18 HB1 ALA 18 28.264 1.703 1.318
140 2HB ALA 18 HB2 ALA 18 29.131 0.387 2.109
141 3HB ALA 18 HB3 ALA 18 27.371 0.455 2.186
142 H VAL 19 HN VAL 19 27.462 -1.991 1.917
143 HA VAL 19 HA VAL 19 29.673 -3.556 2.361
144 HB VAL 19 HB VAL 19 26.781 -4.293 1.996
145 1HG1 VAL 19 HG11 VAL 19 27.566 -6.339 1.243
146 2HG1 VAL 19 HG12 VAL 19 27.670 -6.600 2.984
147 3HG1 VAL 19 HG13 VAL 19 29.115 -6.167 2.070
148 1HG2 VAL 19 HG21 VAL 19 27.620 -3.211 4.084
149 2HG2 VAL 19 HG22 VAL 19 28.725 -4.566 4.313
150 3HG2 VAL 19 HG23 VAL 19 26.983 -4.829 4.379
151 H LYS 20 HN LYS 20 27.479 -4.094 -0.444
152 HA LYS 20 HA LYS 20 29.467 -5.862 -1.681
153 1HB LYS 20 HB2 LYS 20 26.941 -4.764 -2.938
154 2HB LYS 20 HB1 LYS 20 27.824 -6.223 -3.390
155 1HG LYS 20 HG2 LYS 20 27.193 -7.345 -1.377
156 2HG LYS 20 HG1 LYS 20 26.599 -5.852 -0.650
157 1HD LYS 20 HD2 LYS 20 25.414 -7.122 -3.135
158 2HD LYS 20 HD1 LYS 20 24.763 -7.329 -1.508
159 1HE LYS 20 HE2 LYS 20 24.513 -4.855 -1.329
160 2HE LYS 20 HE1 LYS 20 25.064 -4.705 -2.998
161 1HZ LYS 20 HZ1 LYS 20 23.165 -5.654 -3.811
162 2HZ LYS 20 HZ2 LYS 20 22.539 -4.846 -2.454
163 3HZ LYS 20 HZ3 LYS 20 22.837 -6.517 -2.388
164 HN LYN 21 HN LYN 21 29.207 -5.122 -4.382
165 HA LYN 21 HA LYN 21 30.025 -2.294 -4.590
166 HB1 LYN 21 HB1 LYN 21 32.118 -3.116 -5.897
167 HB2 LYN 21 HB2 LYN 21 31.881 -4.630 -5.024
168 HG1 LYN 21 HG1 LYN 21 33.440 -3.141 -3.815
169 HG2 LYN 21 HG2 LYN 21 31.967 -3.404 -2.881
170 HD1 LYN 21 HD1 LYN 21 31.136 -1.251 -3.370
171 HD2 LYN 21 HD2 LYN 21 32.214 -1.050 -4.751
172 HE1 LYN 21 HE1 LYN 21 34.150 -0.939 -3.238
173 HE2 LYN 21 HE2 LYN 21 33.092 -1.189 -1.849
174 HZ1 LYN 21 HZ1 LYN 21 33.355 1.164 -3.587
175 HZ2 LYN 21 HZ2 LYN 21 33.257 1.079 -1.893
176 HZ3 LYN 21 HZ3 LYN 21 31.863 0.859 -2.839
177 H1 LYN 21 H1 LYN 21 30.905 -2.202 -7.189
178 H2 LYN 21 H2 LYN 21 29.761 -2.875 -8.247