Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
630408 | 6cj8 RC | 30416 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 HT1 GLU 1 29.582 -10.544 -2.385
2 H2 GLU 1 HT2 GLU 1 28.579 -9.174 -2.416
3 H3 GLU 1 HT3 GLU 1 29.072 -9.831 -0.930
4 HA GLU 1 HA GLU 1 31.425 -9.409 -1.830
5 HB2 GLU 1 HB2 GLU 1 29.637 -7.513 -3.485
6 HB3 GLU 1 HB1 GLU 1 31.344 -7.071 -3.105
7 HG2 GLU 1 HG2 GLU 1 32.162 -9.171 -4.254
8 HG3 GLU 1 HG1 GLU 1 30.456 -9.619 -4.650
9 H MET 2 HN MET 2 28.856 -6.812 -1.427
10 HA MET 2 HA MET 2 30.041 -6.205 1.205
11 HB2 MET 2 HB2 MET 2 28.977 -4.111 -0.804
12 HB3 MET 2 HB1 MET 2 29.552 -3.755 0.869
13 HG2 MET 2 HG2 MET 2 31.296 -4.874 -1.430
14 HG3 MET 2 HG1 MET 2 31.202 -3.160 -0.927
15 HE1 MET 2 HE1 MET 2 34.803 -4.260 0.125
16 HE2 MET 2 HE2 MET 2 33.783 -3.122 -0.822
17 HE3 MET 2 HE3 MET 2 33.845 -4.861 -1.274
18 H ARG 3 HN ARG 3 28.411 -4.631 2.375
19 HA ARG 3 HA ARG 3 25.771 -5.890 2.167
20 HB2 ARG 3 HB2 ARG 3 27.443 -6.594 4.076
21 HB3 ARG 3 HB1 ARG 3 27.198 -4.941 4.715
22 HG2 ARG 3 HG2 ARG 3 24.660 -6.511 4.175
23 HG3 ARG 3 HG1 ARG 3 25.738 -7.211 5.430
24 HD2 ARG 3 HD2 ARG 3 25.685 -5.092 6.748
25 HD3 ARG 3 HD1 ARG 3 24.718 -4.266 5.444
26 HE ARG 3 HE ARG 3 23.342 -6.685 6.293
27 HH11 ARG 3 HH11 ARG 3 24.122 -3.365 7.480
28 HH12 ARG 3 HH12 ARG 3 22.731 -3.267 8.508
29 HH21 ARG 3 HH21 ARG 3 21.482 -6.496 7.695
30 HH22 ARG 3 HH22 ARG 3 21.220 -5.062 8.630
31 H LEU 4 HN LEU 4 27.673 -3.006 2.874
32 HA LEU 4 HA LEU 4 25.287 -1.392 3.232
33 HB2 LEU 4 HB2 LEU 4 26.490 0.077 4.577
34 HB3 LEU 4 HB1 LEU 4 27.070 -1.560 5.038
35 HG LEU 4 HG LEU 4 28.957 -0.072 5.077
36 HD11 LEU 4 HD11 LEU 4 30.601 -1.157 3.696
37 HD12 LEU 4 HD12 LEU 4 29.380 -1.618 2.449
38 HD13 LEU 4 HD13 LEU 4 29.345 -2.398 4.079
39 HD21 LEU 4 HD21 LEU 4 29.098 0.755 2.192
40 HD22 LEU 4 HD22 LEU 4 29.405 1.698 3.700
41 HD23 LEU 4 HD23 LEU 4 27.718 1.457 3.107
42 H SER 5 HN SER 5 27.509 -2.115 0.833
43 HA SER 5 HA SER 5 27.892 0.545 -0.044
44 HB2 SER 5 HB2 SER 5 29.571 -1.405 -0.428
45 HB3 SER 5 HB1 SER 5 28.503 -1.907 -1.789
46 HG SER 5 HG SER 5 28.824 0.571 -2.229
47 H LYS 6 HN LYS 6 25.291 -1.563 -0.322
48 HA LYS 6 HA LYS 6 24.441 -0.412 -2.867
49 HB2 LYS 6 HB2 LYS 6 22.738 -1.946 -2.855
50 HB3 LYS 6 HB1 LYS 6 23.994 -2.813 -1.919
51 HG2 LYS 6 HG2 LYS 6 21.796 -1.127 -0.549
52 HG3 LYS 6 HG1 LYS 6 21.515 -2.845 -1.001
53 HD2 LYS 6 HD2 LYS 6 23.301 -3.597 0.548
54 HD3 LYS 6 HD1 LYS 6 23.840 -1.904 0.858
55 HE2 LYS 6 HE2 LYS 6 22.547 -2.461 2.795
56 HE3 LYS 6 HE1 LYS 6 21.402 -1.484 1.796
57 HZ1 LYS 6 HZ1 LYS 6 21.378 -4.392 1.401
58 HZ2 LYS 6 HZ2 LYS 6 20.105 -3.267 1.390
59 HZ3 LYS 6 HZ3 LYS 6 20.757 -3.797 2.865
60 H PHE 7 HN PHE 7 24.420 0.489 0.399
61 HA PHE 7 HA PHE 7 21.837 1.810 0.321
62 HB2 PHE 7 HB2 PHE 7 21.620 1.246 2.606
63 HB3 PHE 7 HB1 PHE 7 23.191 0.340 2.481
64 HD1 PHE 7 HD1 PHE 7 21.673 3.608 3.354
65 HD2 PHE 7 HD2 PHE 7 25.082 1.222 3.208
66 HE1 PHE 7 HE1 PHE 7 23.041 5.503 3.775
67 HE2 PHE 7 HE2 PHE 7 26.455 3.037 3.644
68 HZ PHE 7 HZ PHE 7 25.418 5.192 3.856
69 H PHE 8 HN PHE 8 25.230 1.824 0.323
70 HA PHE 8 HA PHE 8 25.224 4.603 0.758
71 HB2 PHE 8 HB2 PHE 8 27.213 3.947 1.587
72 HB3 PHE 8 HB1 PHE 8 27.106 2.351 0.767
73 HD1 PHE 8 HD1 PHE 8 28.740 5.602 0.773
74 HD2 PHE 8 HD2 PHE 8 27.676 2.286 -1.607
75 HE1 PHE 8 HE1 PHE 8 30.121 6.381 -1.062
76 HE2 PHE 8 HE2 PHE 8 28.965 3.027 -3.338
77 HZ PHE 8 HZ PHE 8 30.190 5.069 -3.098
78 H ARG 9 HN ARG 9 24.663 2.401 -1.592
79 HA ARG 9 HA ARG 9 25.382 4.307 -3.562
80 HB2 ARG 9 HB2 ARG 9 24.567 1.430 -3.792
81 HB3 ARG 9 HB1 ARG 9 24.250 2.452 -5.231
82 HG2 ARG 9 HG2 ARG 9 26.660 2.990 -5.392
83 HG3 ARG 9 HG1 ARG 9 26.979 2.050 -3.899
84 HD2 ARG 9 HD2 ARG 9 26.262 -0.078 -5.009
85 HD3 ARG 9 HD1 ARG 9 25.823 0.847 -6.521
86 HE ARG 9 HE ARG 9 28.537 1.496 -5.921
87 HH11 ARG 9 HH11 ARG 9 26.640 -1.442 -6.824
88 HH12 ARG 9 HH12 ARG 9 27.969 -2.216 -7.620
89 HH21 ARG 9 HH21 ARG 9 30.298 0.401 -7.012
90 HH22 ARG 9 HH22 ARG 9 30.063 -1.159 -7.726
91 H ASP 10 HN ASP 10 22.902 3.804 -1.612
92 HA ASP 10 HA ASP 10 20.861 4.226 -3.546
93 HB2 ASP 10 HB2 ASP 10 21.167 3.747 -0.612
94 HB3 ASP 10 HB1 ASP 10 19.643 4.507 -1.185
95 H PHE 11 HN PHE 11 22.498 5.522 -0.954
96 HA PHE 11 HA PHE 11 20.866 7.922 -1.523
97 HB2 PHE 11 HB2 PHE 11 22.100 6.996 1.007
98 HB3 PHE 11 HB1 PHE 11 21.027 8.477 0.923
99 HD1 PHE 11 HD1 PHE 11 21.450 5.389 1.898
100 HD2 PHE 11 HD2 PHE 11 18.479 7.595 -0.119
101 HE1 PHE 11 HE1 PHE 11 19.972 3.723 2.406
102 HE2 PHE 11 HE2 PHE 11 16.855 5.864 0.466
103 HZ PHE 11 HZ PHE 11 17.558 3.889 1.770
104 H ILE 12 HN ILE 12 23.990 6.829 -0.676
105 HA ILE 12 HA ILE 12 24.782 9.244 0.318
106 HB ILE 12 HB ILE 12 26.150 6.835 -0.579
107 HG12 ILE 12 HG12 ILE 12 26.078 6.089 1.494
108 HG13 ILE 12 HG11 ILE 12 26.446 7.651 2.278
109 HG21 ILE 12 HG21 ILE 12 27.955 8.328 -1.071
110 HG22 ILE 12 HG22 ILE 12 28.318 7.803 0.617
111 HG23 ILE 12 HG23 ILE 12 27.585 9.418 0.328
112 HD11 ILE 12 HD11 ILE 12 23.868 6.309 1.417
113 HD12 ILE 12 HD12 ILE 12 23.900 8.113 1.665
114 HD13 ILE 12 HD13 ILE 12 24.314 7.044 3.018
115 H LEU 13 HN LEU 13 25.070 7.874 -2.706
116 HA LEU 13 HA LEU 13 26.720 9.749 -3.986
117 HB2 LEU 13 HB2 LEU 13 24.348 8.359 -5.265
118 HB3 LEU 13 HB1 LEU 13 25.938 8.749 -6.028
119 HG LEU 13 HG LEU 13 25.189 6.599 -4.016
120 HD11 LEU 13 HD11 LEU 13 26.162 6.450 -6.929
121 HD12 LEU 13 HD12 LEU 13 24.518 6.086 -6.266
122 HD13 LEU 13 HD13 LEU 13 25.915 5.029 -5.847
123 HD21 LEU 13 HD21 LEU 13 27.697 5.747 -4.414
124 HD22 LEU 13 HD22 LEU 13 27.333 6.972 -3.144
125 HD23 LEU 13 HD23 LEU 13 28.043 7.493 -4.732
126 H GLN 14 HN GLN 14 23.352 9.672 -3.159
127 HA GLN 14 HA GLN 14 22.679 12.002 -4.809
128 HB2 GLN 14 HB2 GLN 14 21.020 9.874 -3.339
129 HB3 GLN 14 HB1 GLN 14 20.259 11.356 -4.061
130 HG2 GLN 14 HG2 GLN 14 21.337 10.650 -6.330
131 HG3 GLN 14 HG1 GLN 14 21.814 9.099 -5.520
132 HE21 GLN 14 HE21 GLN 14 20.445 7.669 -6.674
133 HE22 GLN 14 HE22 GLN 14 18.715 7.723 -6.610
134 H ARG 15 HN ARG 15 23.849 11.540 -1.587
135 HA ARG 15 HA ARG 15 22.179 13.543 -0.303
136 HB2 ARG 15 HB2 ARG 15 25.003 12.492 0.489
137 HB3 ARG 15 HB1 ARG 15 24.024 13.625 1.493
138 HG2 ARG 15 HG2 ARG 15 22.274 11.912 1.799
139 HG3 ARG 15 HG1 ARG 15 23.120 10.828 0.669
140 HD2 ARG 15 HD2 ARG 15 23.603 9.956 2.925
141 HD3 ARG 15 HD1 ARG 15 25.121 10.770 2.334
142 HE ARG 15 HE ARG 15 23.581 12.755 3.752
143 HH11 ARG 15 HH11 ARG 15 25.340 9.679 4.450
144 HH12 ARG 15 HH12 ARG 15 25.719 10.115 6.083
145 HH21 ARG 15 HH21 ARG 15 24.119 13.288 5.967
146 HH22 ARG 15 HH22 ARG 15 25.018 12.181 6.950
147 H LYS 16 HN LYS 16 25.371 13.203 -1.779
148 HA LYS 16 HA LYS 16 25.487 16.109 -2.305
149 HB2 LYS 16 HB2 LYS 16 27.667 13.939 -2.202
150 HB3 LYS 16 HB1 LYS 16 27.951 15.615 -2.822
151 HG2 LYS 16 HG2 LYS 16 27.263 16.565 -0.624
152 HG3 LYS 16 HG1 LYS 16 26.953 14.911 0.014
153 HD2 LYS 16 HD2 LYS 16 29.334 14.309 -0.348
154 HD3 LYS 16 HD1 LYS 16 29.664 15.952 -1.005
155 HE2 LYS 16 HE2 LYS 16 29.070 16.967 1.238
156 HE3 LYS 16 HE1 LYS 16 28.743 15.309 1.894
157 HZ1 LYS 16 HZ1 LYS 16 31.348 16.018 0.671
158 HZ2 LYS 16 HZ2 LYS 16 30.967 14.757 1.743
159 HZ3 LYS 16 HZ3 LYS 16 30.997 16.362 2.297
160 H LYS 17 HN LYS 17 23.782 15.625 -3.821
161 HA LYS 17 HA LYS 17 24.119 13.941 -6.045
162 HB2 LYS 17 HB2 LYS 17 22.228 15.432 -7.071
163 HB3 LYS 17 HB1 LYS 17 21.867 14.478 -5.594
164 HG2 LYS 17 HG2 LYS 17 22.234 16.493 -4.158
165 HG3 LYS 17 HG1 LYS 17 22.650 17.465 -5.613
166 HD2 LYS 17 HD2 LYS 17 20.338 17.104 -6.519
167 HD3 LYS 17 HD1 LYS 17 19.925 16.104 -5.077
168 HE2 LYS 17 HE2 LYS 17 20.325 18.077 -3.581
169 HE3 LYS 17 HE1 LYS 17 20.758 19.086 -5.021
170 HZ1 LYS 17 HZ1 LYS 17 18.493 18.545 -5.877
171 HZ2 LYS 17 HZ2 LYS 17 18.525 19.503 -4.476
172 HZ3 LYS 17 HZ3 LYS 17 18.129 17.856 -4.369
Start of MODEL 2
1 H1 GLU 1 HT1 GLU 1 29.662 -9.676 -1.417
2 H2 GLU 1 HT2 GLU 1 30.458 -10.073 0.029
3 H3 GLU 1 HT3 GLU 1 30.947 -10.787 -1.432
4 HA GLU 1 HA GLU 1 32.530 -9.190 -1.001
5 HB2 GLU 1 HB2 GLU 1 30.406 -8.148 -2.990
6 HB3 GLU 1 HB1 GLU 1 31.972 -7.283 -2.761
7 HG2 GLU 1 HG2 GLU 1 33.244 -9.355 -3.448
8 HG3 GLU 1 HG1 GLU 1 31.686 -10.241 -3.678
9 H MET 2 HN MET 2 29.424 -7.228 -1.137
10 HA MET 2 HA MET 2 30.326 -5.834 1.301
11 HB2 MET 2 HB2 MET 2 28.913 -4.485 -1.093
12 HB3 MET 2 HB1 MET 2 29.344 -3.674 0.459
13 HG2 MET 2 HG2 MET 2 31.363 -4.837 -1.581
14 HG3 MET 2 HG1 MET 2 30.886 -3.118 -1.446
15 HE1 MET 2 HE1 MET 2 33.399 -2.499 -1.388
16 HE2 MET 2 HE2 MET 2 33.835 -4.241 -1.475
17 HE3 MET 2 HE3 MET 2 34.608 -3.182 -0.245
18 H ARG 3 HN ARG 3 28.354 -4.464 2.124
19 HA ARG 3 HA ARG 3 25.971 -6.121 2.006
20 HB2 ARG 3 HB2 ARG 3 27.618 -6.607 3.988
21 HB3 ARG 3 HB1 ARG 3 27.210 -4.961 4.557
22 HG2 ARG 3 HG2 ARG 3 24.811 -6.716 4.028
23 HG3 ARG 3 HG1 ARG 3 25.930 -7.360 5.278
24 HD2 ARG 3 HD2 ARG 3 25.771 -5.197 6.574
25 HD3 ARG 3 HD1 ARG 3 24.659 -4.513 5.303
26 HE ARG 3 HE ARG 3 23.531 -7.012 6.173
27 HH11 ARG 3 HH11 ARG 3 24.247 -3.766 7.592
28 HH12 ARG 3 HH12 ARG 3 22.958 -3.846 8.747
29 HH21 ARG 3 HH21 ARG 3 21.809 -7.061 7.755
30 HH22 ARG 3 HH22 ARG 3 21.564 -5.733 8.840
31 H LEU 4 HN LEU 4 27.543 -3.127 2.658
32 HA LEU 4 HA LEU 4 25.104 -1.636 3.037
33 HB2 LEU 4 HB2 LEU 4 26.519 -0.038 4.108
34 HB3 LEU 4 HB1 LEU 4 26.942 -1.683 4.703
35 HG LEU 4 HG LEU 4 28.713 -1.474 2.574
36 HD11 LEU 4 HD11 LEU 4 28.556 1.380 3.709
37 HD12 LEU 4 HD12 LEU 4 27.936 0.855 2.094
38 HD13 LEU 4 HD13 LEU 4 29.708 0.751 2.462
39 HD21 LEU 4 HD21 LEU 4 29.222 -2.285 4.818
40 HD22 LEU 4 HD22 LEU 4 29.205 -0.591 5.474
41 HD23 LEU 4 HD23 LEU 4 30.468 -1.085 4.276
42 H SER 5 HN SER 5 27.148 -2.374 0.452
43 HA SER 5 HA SER 5 27.533 0.233 -0.496
44 HB2 SER 5 HB2 SER 5 28.465 -0.652 -2.587
45 HB3 SER 5 HB1 SER 5 29.109 -1.610 -1.211
46 HG SER 5 HG SER 5 27.659 -2.393 -3.332
47 H LYS 6 HN LYS 6 24.810 -1.669 -0.444
48 HA LYS 6 HA LYS 6 23.707 -0.487 -2.892
49 HB2 LYS 6 HB2 LYS 6 21.895 -1.877 -2.600
50 HB3 LYS 6 HB1 LYS 6 23.222 -2.831 -1.870
51 HG2 LYS 6 HG2 LYS 6 21.373 -1.015 -0.177
52 HG3 LYS 6 HG1 LYS 6 20.933 -2.715 -0.560
53 HD2 LYS 6 HD2 LYS 6 22.950 -3.540 0.667
54 HD3 LYS 6 HD1 LYS 6 23.542 -1.862 0.931
55 HE2 LYS 6 HE2 LYS 6 22.538 -2.560 3.024
56 HE3 LYS 6 HE1 LYS 6 21.359 -1.412 2.278
57 HZ1 LYS 6 HZ1 LYS 6 20.522 -3.601 3.275
58 HZ2 LYS 6 HZ2 LYS 6 21.098 -4.338 1.858
59 HZ3 LYS 6 HZ3 LYS 6 19.916 -3.124 1.761
60 H PHE 7 HN PHE 7 24.119 0.450 0.345
61 HA PHE 7 HA PHE 7 21.648 1.964 0.531
62 HB2 PHE 7 HB2 PHE 7 21.649 1.407 2.833
63 HB3 PHE 7 HB1 PHE 7 23.137 0.401 2.537
64 HD1 PHE 7 HD1 PHE 7 21.952 3.778 3.541
65 HD2 PHE 7 HD2 PHE 7 25.138 1.145 3.045
66 HE1 PHE 7 HE1 PHE 7 23.497 5.570 3.797
67 HE2 PHE 7 HE2 PHE 7 26.690 2.842 3.327
68 HZ PHE 7 HZ PHE 7 25.841 5.083 3.627
69 H PHE 8 HN PHE 8 25.016 1.714 0.187
70 HA PHE 8 HA PHE 8 25.270 4.486 0.574
71 HB2 PHE 8 HB2 PHE 8 27.261 3.652 1.214
72 HB3 PHE 8 HB1 PHE 8 26.936 2.074 0.419
73 HD1 PHE 8 HD1 PHE 8 28.877 5.133 0.287
74 HD2 PHE 8 HD2 PHE 8 27.243 1.998 -2.018
75 HE1 PHE 8 HE1 PHE 8 30.175 5.778 -1.655
76 HE2 PHE 8 HE2 PHE 8 28.449 2.615 -3.845
77 HZ PHE 8 HZ PHE 8 29.920 4.493 -3.688
78 H ARG 9 HN ARG 9 24.305 2.321 -1.682
79 HA ARG 9 HA ARG 9 24.962 4.159 -3.739
80 HB2 ARG 9 HB2 ARG 9 23.929 1.347 -3.849
81 HB3 ARG 9 HB1 ARG 9 23.517 2.380 -5.254
82 HG2 ARG 9 HG2 ARG 9 25.938 2.768 -5.676
83 HG3 ARG 9 HG1 ARG 9 26.348 1.778 -4.237
84 HD2 ARG 9 HD2 ARG 9 25.361 -0.274 -5.293
85 HD3 ARG 9 HD1 ARG 9 24.822 0.714 -6.733
86 HE ARG 9 HE ARG 9 27.655 1.111 -6.361
87 HH11 ARG 9 HH11 ARG 9 25.365 -1.494 -7.378
88 HH12 ARG 9 HH12 ARG 9 26.520 -2.295 -8.388
89 HH21 ARG 9 HH21 ARG 9 29.174 -0.018 -7.750
90 HH22 ARG 9 HH22 ARG 9 28.699 -1.450 -8.600
91 H ASP 10 HN ASP 10 22.665 3.856 -1.535
92 HA ASP 10 HA ASP 10 20.475 4.443 -3.252
93 HB2 ASP 10 HB2 ASP 10 21.043 3.945 -0.360
94 HB3 ASP 10 HB1 ASP 10 19.535 4.829 -0.779
95 H PHE 11 HN PHE 11 22.474 5.605 -0.857
96 HA PHE 11 HA PHE 11 20.985 8.129 -1.278
97 HB2 PHE 11 HB2 PHE 11 22.394 7.112 1.122
98 HB3 PHE 11 HB1 PHE 11 21.443 8.676 1.133
99 HD1 PHE 11 HD1 PHE 11 21.709 5.566 2.091
100 HD2 PHE 11 HD2 PHE 11 18.734 8.007 0.374
101 HE1 PHE 11 HE1 PHE 11 20.164 4.032 2.772
102 HE2 PHE 11 HE2 PHE 11 17.043 6.420 1.149
103 HZ PHE 11 HZ PHE 11 17.714 4.396 2.395
104 H ILE 12 HN ILE 12 24.084 6.794 -0.745
105 HA ILE 12 HA ILE 12 25.173 9.131 0.142
106 HB ILE 12 HB ILE 12 26.228 6.618 -0.872
107 HG12 ILE 12 HG12 ILE 12 26.318 5.892 1.208
108 HG13 ILE 12 HG11 ILE 12 26.899 7.421 1.925
109 HG21 ILE 12 HG21 ILE 12 28.591 7.387 0.062
110 HG22 ILE 12 HG22 ILE 12 27.980 9.061 -0.160
111 HG23 ILE 12 HG23 ILE 12 28.091 7.942 -1.582
112 HD11 ILE 12 HD11 ILE 12 24.136 6.301 1.358
113 HD12 ILE 12 HD12 ILE 12 24.349 8.101 1.580
114 HD13 ILE 12 HD13 ILE 12 24.811 7.001 2.893
115 H LEU 13 HN LEU 13 25.025 7.760 -2.885
116 HA LEU 13 HA LEU 13 26.679 9.495 -4.340
117 HB2 LEU 13 HB2 LEU 13 24.080 8.302 -5.353
118 HB3 LEU 13 HB1 LEU 13 25.607 8.562 -6.283
119 HG LEU 13 HG LEU 13 24.908 6.476 -4.187
120 HD11 LEU 13 HD11 LEU 13 23.959 6.022 -6.350
121 HD12 LEU 13 HD12 LEU 13 25.306 4.854 -6.074
122 HD13 LEU 13 HD13 LEU 13 25.546 6.252 -7.187
123 HD21 LEU 13 HD21 LEU 13 27.730 7.140 -5.209
124 HD22 LEU 13 HD22 LEU 13 27.284 5.428 -4.849
125 HD23 LEU 13 HD23 LEU 13 27.156 6.675 -3.552
126 H GLN 14 HN GLN 14 23.417 9.702 -3.170
127 HA GLN 14 HA GLN 14 22.774 12.084 -4.769
128 HB2 GLN 14 HB2 GLN 14 21.068 10.077 -3.179
129 HB3 GLN 14 HB1 GLN 14 20.372 11.590 -3.899
130 HG2 GLN 14 HG2 GLN 14 21.237 10.760 -6.203
131 HG3 GLN 14 HG1 GLN 14 21.680 9.201 -5.389
132 HE21 GLN 14 HE21 GLN 14 19.936 8.828 -7.391
133 HE22 GLN 14 HE22 GLN 14 18.310 8.588 -6.842
134 H ARG 15 HN ARG 15 24.226 11.661 -1.672
135 HA ARG 15 HA ARG 15 22.562 13.468 -0.145
136 HB2 ARG 15 HB2 ARG 15 25.525 12.641 0.294
137 HB3 ARG 15 HB1 ARG 15 24.589 13.673 1.440
138 HG2 ARG 15 HG2 ARG 15 22.994 11.834 1.848
139 HG3 ARG 15 HG1 ARG 15 23.809 10.854 0.608
140 HD2 ARG 15 HD2 ARG 15 24.551 9.965 2.806
141 HD3 ARG 15 HD1 ARG 15 25.950 10.879 2.066
142 HE ARG 15 HE ARG 15 24.433 12.741 3.681
143 HH11 ARG 15 HH11 ARG 15 26.533 9.832 4.121
144 HH12 ARG 15 HH12 ARG 15 27.072 10.304 5.698
145 HH21 ARG 15 HH21 ARG 15 25.199 13.321 5.816
146 HH22 ARG 15 HH22 ARG 15 26.308 12.298 6.666
147 H LYS 16 HN LYS 16 25.656 13.653 -1.913
148 HA LYS 16 HA LYS 16 25.430 16.596 -1.924
149 HB2 LYS 16 HB2 LYS 16 27.839 16.686 -2.442
150 HB3 LYS 16 HB1 LYS 16 27.490 15.839 -0.904
151 HG2 LYS 16 HG2 LYS 16 27.786 13.609 -2.062
152 HG3 LYS 16 HG1 LYS 16 28.182 14.474 -3.593
153 HD2 LYS 16 HD2 LYS 16 30.096 15.607 -2.439
154 HD3 LYS 16 HD1 LYS 16 29.693 14.721 -0.930
155 HE2 LYS 16 HE2 LYS 16 30.205 12.524 -2.066
156 HE3 LYS 16 HE1 LYS 16 30.586 13.406 -3.603
157 HZ1 LYS 16 HZ1 LYS 16 32.115 13.170 -1.130
158 HZ2 LYS 16 HZ2 LYS 16 32.170 14.679 -1.908
159 HZ3 LYS 16 HZ3 LYS 16 32.629 13.274 -2.745
160 H LYS 17 HN LYS 17 23.946 14.632 -3.661
161 HA LYS 17 HA LYS 17 23.140 14.461 -5.643
162 HB2 LYS 17 HB2 LYS 17 24.586 17.093 -6.335
163 HB3 LYS 17 HB1 LYS 17 23.328 16.313 -7.362
164 HG2 LYS 17 HG2 LYS 17 21.641 16.549 -5.549
165 HG3 LYS 17 HG1 LYS 17 22.882 17.249 -4.444
166 HD2 LYS 17 HD2 LYS 17 23.185 19.174 -6.004
167 HD3 LYS 17 HD1 LYS 17 21.956 18.492 -7.119
168 HE2 LYS 17 HE2 LYS 17 21.337 19.253 -4.174
169 HE3 LYS 17 HE1 LYS 17 21.127 20.391 -5.565
170 HZ1 LYS 17 HZ1 LYS 17 19.774 17.758 -5.205
171 HZ2 LYS 17 HZ2 LYS 17 19.594 18.788 -6.543
172 HZ3 LYS 17 HZ3 LYS 17 19.084 19.298 -5.006
Start of MODEL 3
1 H1 GLU 1 HT1 GLU 1 31.576 -8.753 -2.831
2 H2 GLU 1 HT2 GLU 1 32.615 -9.956 -2.233
3 H3 GLU 1 HT3 GLU 1 32.968 -8.319 -1.959
4 HA GLU 1 HA GLU 1 30.524 -9.630 -0.974
5 HB2 GLU 1 HB2 GLU 1 33.282 -9.305 0.387
6 HB3 GLU 1 HB1 GLU 1 31.774 -9.507 1.357
7 HG2 GLU 1 HG2 GLU 1 31.332 -11.733 0.262
8 HG3 GLU 1 HG1 GLU 1 32.823 -11.548 -0.741
9 H MET 2 HN MET 2 29.009 -8.123 -0.401
10 HA MET 2 HA MET 2 29.851 -5.692 0.919
11 HB2 MET 2 HB2 MET 2 28.343 -4.191 -0.531
12 HB3 MET 2 HB1 MET 2 29.876 -4.717 -1.324
13 HG2 MET 2 HG2 MET 2 28.582 -6.623 -2.484
14 HG3 MET 2 HG1 MET 2 27.074 -5.937 -1.804
15 HE1 MET 2 HE1 MET 2 26.057 -5.977 -4.142
16 HE2 MET 2 HE2 MET 2 27.582 -6.619 -4.841
17 HE3 MET 2 HE3 MET 2 26.763 -5.217 -5.610
18 H ARG 3 HN ARG 3 27.910 -4.419 1.602
19 HA ARG 3 HA ARG 3 25.516 -5.955 1.994
20 HB2 ARG 3 HB2 ARG 3 27.316 -6.700 3.773
21 HB3 ARG 3 HB1 ARG 3 27.243 -5.022 4.385
22 HG2 ARG 3 HG2 ARG 3 24.566 -6.417 4.183
23 HG3 ARG 3 HG1 ARG 3 25.736 -7.195 5.304
24 HD2 ARG 3 HD2 ARG 3 25.993 -5.095 6.612
25 HD3 ARG 3 HD1 ARG 3 24.968 -4.177 5.415
26 HE ARG 3 HE ARG 3 23.413 -6.406 6.335
27 HH11 ARG 3 HH11 ARG 3 24.875 -3.408 7.726
28 HH12 ARG 3 HH12 ARG 3 23.659 -3.228 8.945
29 HH21 ARG 3 HH21 ARG 3 21.798 -6.106 8.001
30 HH22 ARG 3 HH22 ARG 3 21.900 -4.772 9.101
31 H LEU 4 HN LEU 4 27.581 -3.188 2.452
32 HA LEU 4 HA LEU 4 25.372 -1.408 3.030
33 HB2 LEU 4 HB2 LEU 4 26.810 -0.073 4.245
34 HB3 LEU 4 HB1 LEU 4 27.356 -1.746 4.595
35 HG LEU 4 HG LEU 4 29.295 -0.337 4.450
36 HD11 LEU 4 HD11 LEU 4 30.717 -1.486 2.889
37 HD12 LEU 4 HD12 LEU 4 29.338 -1.892 1.798
38 HD13 LEU 4 HD13 LEU 4 29.459 -2.664 3.426
39 HD21 LEU 4 HD21 LEU 4 29.641 1.445 3.080
40 HD22 LEU 4 HD22 LEU 4 27.917 1.247 2.590
41 HD23 LEU 4 HD23 LEU 4 29.217 0.522 1.586
42 H SER 5 HN SER 5 27.292 -2.308 0.411
43 HA SER 5 HA SER 5 27.764 0.330 -0.503
44 HB2 SER 5 HB2 SER 5 28.168 -2.311 -1.993
45 HB3 SER 5 HB1 SER 5 28.641 -0.693 -2.634
46 HG SER 5 HG SER 5 30.034 -0.472 -0.918
47 H LYS 6 HN LYS 6 25.034 -1.615 -0.538
48 HA LYS 6 HA LYS 6 24.030 -0.409 -2.999
49 HB2 LYS 6 HB2 LYS 6 22.255 -1.848 -2.836
50 HB3 LYS 6 HB1 LYS 6 23.537 -2.787 -2.012
51 HG2 LYS 6 HG2 LYS 6 21.562 -0.989 -0.455
52 HG3 LYS 6 HG1 LYS 6 21.150 -2.687 -0.879
53 HD2 LYS 6 HD2 LYS 6 23.020 -3.539 0.514
54 HD3 LYS 6 HD1 LYS 6 23.674 -1.879 0.770
55 HE2 LYS 6 HE2 LYS 6 22.526 -2.339 2.811
56 HE3 LYS 6 HE1 LYS 6 21.329 -1.337 1.897
57 HZ1 LYS 6 HZ1 LYS 6 21.118 -4.208 1.457
58 HZ2 LYS 6 HZ2 LYS 6 19.915 -3.044 1.744
59 HZ3 LYS 6 HZ3 LYS 6 20.790 -3.698 3.044
60 H PHE 7 HN PHE 7 24.358 0.464 0.257
61 HA PHE 7 HA PHE 7 21.861 1.927 0.426
62 HB2 PHE 7 HB2 PHE 7 21.824 1.355 2.719
63 HB3 PHE 7 HB1 PHE 7 23.326 0.368 2.447
64 HD1 PHE 7 HD1 PHE 7 22.067 3.698 3.486
65 HD2 PHE 7 HD2 PHE 7 25.324 1.154 2.978
66 HE1 PHE 7 HE1 PHE 7 23.565 5.522 3.780
67 HE2 PHE 7 HE2 PHE 7 26.821 2.891 3.282
68 HZ PHE 7 HZ PHE 7 25.923 5.090 3.618
69 H PHE 8 HN PHE 8 25.236 1.757 0.096
70 HA PHE 8 HA PHE 8 25.421 4.526 0.555
71 HB2 PHE 8 HB2 PHE 8 27.448 3.764 1.174
72 HB3 PHE 8 HB1 PHE 8 27.174 2.184 0.366
73 HD1 PHE 8 HD1 PHE 8 28.966 5.350 0.213
74 HD2 PHE 8 HD2 PHE 8 27.505 2.099 -2.053
75 HE1 PHE 8 HE1 PHE 8 30.199 6.067 -1.749
76 HE2 PHE 8 HE2 PHE 8 28.655 2.786 -3.904
77 HZ PHE 8 HZ PHE 8 30.001 4.764 -3.782
78 H ARG 9 HN ARG 9 24.532 2.382 -1.745
79 HA ARG 9 HA ARG 9 25.151 4.269 -3.770
80 HB2 ARG 9 HB2 ARG 9 24.182 1.439 -3.904
81 HB3 ARG 9 HB1 ARG 9 23.747 2.474 -5.300
82 HG2 ARG 9 HG2 ARG 9 26.165 2.927 -5.699
83 HG3 ARG 9 HG1 ARG 9 26.580 1.902 -4.284
84 HD2 ARG 9 HD2 ARG 9 25.644 -0.131 -5.381
85 HD3 ARG 9 HD1 ARG 9 25.043 0.876 -6.782
86 HE ARG 9 HE ARG 9 27.877 1.327 -6.474
87 HH11 ARG 9 HH11 ARG 9 25.590 -1.279 -7.491
88 HH12 ARG 9 HH12 ARG 9 26.720 -2.036 -8.563
89 HH21 ARG 9 HH21 ARG 9 29.366 0.253 -7.952
90 HH22 ARG 9 HH22 ARG 9 28.875 -1.159 -8.825
91 H ASP 10 HN ASP 10 22.842 3.858 -1.589
92 HA ASP 10 HA ASP 10 20.653 4.384 -3.323
93 HB2 ASP 10 HB2 ASP 10 21.204 3.882 -0.428
94 HB3 ASP 10 HB1 ASP 10 19.668 4.713 -0.861
95 H PHE 11 HN PHE 11 22.587 5.592 -0.890
96 HA PHE 11 HA PHE 11 21.024 8.073 -1.293
97 HB2 PHE 11 HB2 PHE 11 22.446 7.059 1.108
98 HB3 PHE 11 HB1 PHE 11 21.451 8.598 1.131
99 HD1 PHE 11 HD1 PHE 11 21.793 5.473 2.028
100 HD2 PHE 11 HD2 PHE 11 18.779 7.880 0.335
101 HE1 PHE 11 HE1 PHE 11 20.284 3.885 2.653
102 HE2 PHE 11 HE2 PHE 11 17.121 6.231 1.051
103 HZ PHE 11 HZ PHE 11 17.830 4.199 2.251
104 H ILE 12 HN ILE 12 24.158 6.825 -0.761
105 HA ILE 12 HA ILE 12 25.150 9.184 0.179
106 HB ILE 12 HB ILE 12 26.309 6.728 -0.870
107 HG12 ILE 12 HG12 ILE 12 26.406 5.965 1.196
108 HG13 ILE 12 HG11 ILE 12 26.929 7.499 1.949
109 HG21 ILE 12 HG21 ILE 12 27.956 9.229 -0.112
110 HG22 ILE 12 HG22 ILE 12 28.127 8.129 -1.539
111 HG23 ILE 12 HG23 ILE 12 28.635 7.575 0.099
112 HD11 ILE 12 HD11 ILE 12 24.862 6.990 2.898
113 HD12 ILE 12 HD12 ILE 12 24.214 6.295 1.343
114 HD13 ILE 12 HD13 ILE 12 24.356 8.088 1.593
115 H LEU 13 HN LEU 13 25.063 7.863 -2.870
116 HA LEU 13 HA LEU 13 26.647 9.722 -4.269
117 HB2 LEU 13 HB2 LEU 13 24.167 8.398 -5.387
118 HB3 LEU 13 HB1 LEU 13 25.728 8.726 -6.235
119 HG LEU 13 HG LEU 13 25.017 6.601 -4.178
120 HD11 LEU 13 HD11 LEU 13 25.796 6.412 -7.149
121 HD12 LEU 13 HD12 LEU 13 24.173 6.146 -6.394
122 HD13 LEU 13 HD13 LEU 13 25.526 5.008 -6.051
123 HD21 LEU 13 HD21 LEU 13 27.236 6.892 -3.465
124 HD22 LEU 13 HD22 LEU 13 27.846 7.379 -5.102
125 HD23 LEU 13 HD23 LEU 13 27.457 5.651 -4.754
126 H GLN 14 HN GLN 14 23.380 9.725 -3.105
127 HA GLN 14 HA GLN 14 22.586 12.057 -4.712
128 HB2 GLN 14 HB2 GLN 14 21.035 9.999 -3.037
129 HB3 GLN 14 HB1 GLN 14 20.240 11.468 -3.747
130 HG2 GLN 14 HG2 GLN 14 20.998 10.653 -6.071
131 HG3 GLN 14 HG1 GLN 14 21.623 9.148 -5.282
132 HE21 GLN 14 HE21 GLN 14 19.740 8.690 -7.185
133 HE22 GLN 14 HE22 GLN 14 18.197 8.293 -6.503
134 H ARG 15 HN ARG 15 24.112 11.665 -1.654
135 HA ARG 15 HA ARG 15 22.486 13.484 -0.098
136 HB2 ARG 15 HB2 ARG 15 25.431 12.570 0.275
137 HB3 ARG 15 HB1 ARG 15 24.579 13.662 1.431
138 HG2 ARG 15 HG2 ARG 15 22.940 11.907 1.956
139 HG3 ARG 15 HG1 ARG 15 23.619 10.875 0.675
140 HD2 ARG 15 HD2 ARG 15 24.422 9.962 2.845
141 HD3 ARG 15 HD1 ARG 15 25.830 10.745 1.987
142 HE ARG 15 HE ARG 15 24.607 12.741 3.689
143 HH11 ARG 15 HH11 ARG 15 26.464 9.655 3.963
144 HH12 ARG 15 HH12 ARG 15 27.190 10.070 5.480
145 HH21 ARG 15 HH21 ARG 15 25.626 13.253 5.746
146 HH22 ARG 15 HH22 ARG 15 26.709 12.131 6.498
147 H LYS 16 HN LYS 16 25.499 13.566 -1.961
148 HA LYS 16 HA LYS 16 25.608 16.500 -1.849
149 HB2 LYS 16 HB2 LYS 16 27.567 14.466 -3.047
150 HB3 LYS 16 HB1 LYS 16 27.846 16.252 -2.963
151 HG2 LYS 16 HG2 LYS 16 27.708 16.158 -0.461
152 HG3 LYS 16 HG1 LYS 16 27.442 14.378 -0.543
153 HD2 LYS 16 HD2 LYS 16 29.652 14.094 -1.651
154 HD3 LYS 16 HD1 LYS 16 29.926 15.872 -1.581
155 HE2 LYS 16 HE2 LYS 16 29.891 15.782 0.946
156 HE3 LYS 16 HE1 LYS 16 29.605 13.992 0.877
157 HZ1 LYS 16 HZ1 LYS 16 32.005 15.543 0.121
158 HZ2 LYS 16 HZ2 LYS 16 31.737 13.990 -0.513
159 HZ3 LYS 16 HZ3 LYS 16 31.853 14.215 1.167
160 H LYS 17 HN LYS 17 24.019 14.287 -3.657
161 HA LYS 17 HA LYS 17 23.018 14.221 -5.572
162 HB2 LYS 17 HB2 LYS 17 23.422 17.274 -5.744
163 HB3 LYS 17 HB1 LYS 17 22.185 16.319 -6.646
164 HG2 LYS 17 HG2 LYS 17 21.079 15.678 -4.497
165 HG3 LYS 17 HG1 LYS 17 22.340 16.565 -3.560
166 HD2 LYS 17 HD2 LYS 17 21.641 18.703 -4.691
167 HD3 LYS 17 HD1 LYS 17 20.345 17.808 -5.560
168 HE2 LYS 17 HE2 LYS 17 19.244 17.237 -3.372
169 HE3 LYS 17 HE1 LYS 17 20.572 18.085 -2.473
170 HZ1 LYS 17 HZ1 LYS 17 18.423 19.198 -4.157
171 HZ2 LYS 17 HZ2 LYS 17 19.877 20.055 -3.971
172 HZ3 LYS 17 HZ3 LYS 17 18.949 19.651 -2.608
Start of MODEL 4
1 H1 GLU 1 HT1 GLU 1 32.219 -10.020 -2.182
2 H2 GLU 1 HT2 GLU 1 32.474 -8.368 -1.880
3 H3 GLU 1 HT3 GLU 1 31.816 -8.868 -3.364
4 HA GLU 1 HA GLU 1 29.836 -8.558 -2.546
5 HB2 GLU 1 HB2 GLU 1 30.771 -10.879 -0.735
6 HB3 GLU 1 HB1 GLU 1 29.102 -10.211 -0.584
7 HG2 GLU 1 HG2 GLU 1 28.647 -10.758 -3.014
8 HG3 GLU 1 HG1 GLU 1 30.313 -11.441 -3.171
9 H MET 2 HN MET 2 28.919 -6.880 -1.409
10 HA MET 2 HA MET 2 30.091 -6.231 1.223
11 HB2 MET 2 HB2 MET 2 28.848 -4.166 -0.704
12 HB3 MET 2 HB1 MET 2 29.688 -3.830 0.855
13 HG2 MET 2 HG2 MET 2 31.400 -3.292 -0.585
14 HG3 MET 2 HG1 MET 2 31.775 -5.029 -0.373
15 HE1 MET 2 HE1 MET 2 32.885 -4.369 -4.031
16 HE2 MET 2 HE2 MET 2 33.303 -5.027 -2.412
17 HE3 MET 2 HE3 MET 2 32.989 -3.268 -2.612
18 H ARG 3 HN ARG 3 28.387 -4.523 2.279
19 HA ARG 3 HA ARG 3 25.783 -5.863 2.203
20 HB2 ARG 3 HB2 ARG 3 27.493 -6.557 4.089
21 HB3 ARG 3 HB1 ARG 3 27.268 -4.897 4.716
22 HG2 ARG 3 HG2 ARG 3 24.707 -6.450 4.253
23 HG3 ARG 3 HG1 ARG 3 25.815 -7.163 5.477
24 HD2 ARG 3 HD2 ARG 3 25.834 -5.015 6.777
25 HD3 ARG 3 HD1 ARG 3 24.790 -4.219 5.516
26 HE ARG 3 HE ARG 3 23.465 -6.626 6.428
27 HH11 ARG 3 HH11 ARG 3 24.361 -3.356 7.671
28 HH12 ARG 3 HH12 ARG 3 23.046 -3.282 8.796
29 HH21 ARG 3 HH21 ARG 3 21.708 -6.470 7.965
30 HH22 ARG 3 HH22 ARG 3 21.529 -5.065 8.963
31 H LEU 4 HN LEU 4 27.715 -2.993 2.840
32 HA LEU 4 HA LEU 4 25.353 -1.351 3.222
33 HB2 LEU 4 HB2 LEU 4 26.593 0.114 4.533
34 HB3 LEU 4 HB1 LEU 4 27.171 -1.523 4.996
35 HG LEU 4 HG LEU 4 29.066 -0.043 4.987
36 HD11 LEU 4 HD11 LEU 4 29.428 -1.624 2.370
37 HD12 LEU 4 HD12 LEU 4 29.424 -2.381 4.011
38 HD13 LEU 4 HD13 LEU 4 30.678 -1.153 3.586
39 HD21 LEU 4 HD21 LEU 4 27.802 1.472 3.020
40 HD22 LEU 4 HD22 LEU 4 29.159 0.753 2.090
41 HD23 LEU 4 HD23 LEU 4 29.500 1.710 3.583
42 H SER 5 HN SER 5 27.527 -2.127 0.791
43 HA SER 5 HA SER 5 27.921 0.519 -0.128
44 HB2 SER 5 HB2 SER 5 29.568 -1.473 -0.506
45 HB3 SER 5 HB1 SER 5 28.482 -1.953 -1.861
46 HG SER 5 HG SER 5 29.089 0.699 -1.906
47 H LYS 6 HN LYS 6 25.297 -1.569 -0.345
48 HA LYS 6 HA LYS 6 24.421 -0.436 -2.890
49 HB2 LYS 6 HB2 LYS 6 22.716 -1.964 -2.849
50 HB3 LYS 6 HB1 LYS 6 23.982 -2.830 -1.925
51 HG2 LYS 6 HG2 LYS 6 21.805 -1.133 -0.536
52 HG3 LYS 6 HG1 LYS 6 21.518 -2.853 -0.971
53 HD2 LYS 6 HD2 LYS 6 23.322 -3.595 0.567
54 HD3 LYS 6 HD1 LYS 6 23.866 -1.900 0.854
55 HE2 LYS 6 HE2 LYS 6 22.593 -2.444 2.810
56 HE3 LYS 6 HE1 LYS 6 21.448 -1.462 1.818
57 HZ1 LYS 6 HZ1 LYS 6 21.044 -4.077 1.028
58 HZ2 LYS 6 HZ2 LYS 6 20.047 -3.134 2.029
59 HZ3 LYS 6 HZ3 LYS 6 21.216 -4.157 2.716
60 H PHE 7 HN PHE 7 24.449 0.487 0.369
61 HA PHE 7 HA PHE 7 21.870 1.818 0.320
62 HB2 PHE 7 HB2 PHE 7 21.684 1.267 2.613
63 HB3 PHE 7 HB1 PHE 7 23.251 0.358 2.472
64 HD1 PHE 7 HD1 PHE 7 21.752 3.633 3.353
65 HD2 PHE 7 HD2 PHE 7 25.155 1.242 3.157
66 HE1 PHE 7 HE1 PHE 7 23.131 5.529 3.742
67 HE2 PHE 7 HE2 PHE 7 26.538 3.056 3.560
68 HZ PHE 7 HZ PHE 7 25.509 5.213 3.782
69 H PHE 8 HN PHE 8 25.263 1.819 0.270
70 HA PHE 8 HA PHE 8 25.276 4.601 0.686
71 HB2 PHE 8 HB2 PHE 8 27.278 3.942 1.484
72 HB3 PHE 8 HB1 PHE 8 27.147 2.342 0.678
73 HD1 PHE 8 HD1 PHE 8 28.798 5.583 0.630
74 HD2 PHE 8 HD2 PHE 8 27.675 2.253 -1.705
75 HE1 PHE 8 HE1 PHE 8 30.150 6.341 -1.236
76 HE2 PHE 8 HE2 PHE 8 28.939 2.974 -3.465
77 HZ PHE 8 HZ PHE 8 30.178 5.012 -3.261
78 H ARG 9 HN ARG 9 24.670 2.385 -1.639
79 HA ARG 9 HA ARG 9 25.363 4.277 -3.634
80 HB2 ARG 9 HB2 ARG 9 24.549 1.397 -3.823
81 HB3 ARG 9 HB1 ARG 9 24.187 2.402 -5.262
82 HG2 ARG 9 HG2 ARG 9 26.603 2.964 -5.466
83 HG3 ARG 9 HG1 ARG 9 26.950 1.991 -4.000
84 HD2 ARG 9 HD2 ARG 9 26.218 -0.112 -5.135
85 HD3 ARG 9 HD1 ARG 9 25.713 0.840 -6.610
86 HE ARG 9 HE ARG 9 28.468 1.458 -6.044
87 HH11 ARG 9 HH11 ARG 9 26.480 -1.343 -7.167
88 HH12 ARG 9 HH12 ARG 9 27.763 -2.050 -8.090
89 HH21 ARG 9 HH21 ARG 9 30.164 0.453 -7.314
90 HH22 ARG 9 HH22 ARG 9 29.870 -1.021 -8.174
91 H ASP 10 HN ASP 10 22.911 3.796 -1.638
92 HA ASP 10 HA ASP 10 20.840 4.215 -3.540
93 HB2 ASP 10 HB2 ASP 10 21.188 3.754 -0.609
94 HB3 ASP 10 HB1 ASP 10 19.658 4.517 -1.164
95 H PHE 11 HN PHE 11 22.525 5.519 -0.987
96 HA PHE 11 HA PHE 11 20.892 7.922 -1.544
97 HB2 PHE 11 HB2 PHE 11 22.161 7.005 0.972
98 HB3 PHE 11 HB1 PHE 11 21.097 8.492 0.897
99 HD1 PHE 11 HD1 PHE 11 21.515 5.406 1.880
100 HD2 PHE 11 HD2 PHE 11 18.523 7.623 -0.094
101 HE1 PHE 11 HE1 PHE 11 20.036 3.757 2.429
102 HE2 PHE 11 HE2 PHE 11 16.897 5.908 0.535
103 HZ PHE 11 HZ PHE 11 17.609 3.938 1.840
104 H ILE 12 HN ILE 12 24.025 6.824 -0.729
105 HA ILE 12 HA ILE 12 24.842 9.239 0.243
106 HB ILE 12 HB ILE 12 26.187 6.822 -0.669
107 HG12 ILE 12 HG12 ILE 12 26.139 6.083 1.407
108 HG13 ILE 12 HG11 ILE 12 26.531 7.644 2.181
109 HG21 ILE 12 HG21 ILE 12 27.993 8.306 -1.193
110 HG22 ILE 12 HG22 ILE 12 28.379 7.782 0.491
111 HG23 ILE 12 HG23 ILE 12 27.650 9.399 0.211
112 HD11 ILE 12 HD11 ILE 12 23.974 8.114 1.598
113 HD12 ILE 12 HD12 ILE 12 24.412 7.069 2.961
114 HD13 ILE 12 HD13 ILE 12 23.932 6.315 1.365
115 H LEU 13 HN LEU 13 25.087 7.863 -2.780
116 HA LEU 13 HA LEU 13 26.729 9.714 -4.092
117 HB2 LEU 13 HB2 LEU 13 24.313 8.339 -5.311
118 HB3 LEU 13 HB1 LEU 13 25.879 8.723 -6.122
119 HG LEU 13 HG LEU 13 25.180 6.576 -4.089
120 HD11 LEU 13 HD11 LEU 13 25.864 5.002 -5.933
121 HD12 LEU 13 HD12 LEU 13 26.088 6.420 -7.023
122 HD13 LEU 13 HD13 LEU 13 24.458 6.061 -6.321
123 HD21 LEU 13 HD21 LEU 13 28.020 7.465 -4.861
124 HD22 LEU 13 HD22 LEU 13 27.678 5.720 -4.542
125 HD23 LEU 13 HD23 LEU 13 27.341 6.944 -3.261
126 H GLN 14 HN GLN 14 23.360 9.659 -3.247
127 HA GLN 14 HA GLN 14 22.676 11.985 -4.889
128 HB2 GLN 14 HB2 GLN 14 21.020 9.895 -3.358
129 HB3 GLN 14 HB1 GLN 14 20.264 11.351 -4.134
130 HG2 GLN 14 HG2 GLN 14 21.290 10.553 -6.380
131 HG3 GLN 14 HG1 GLN 14 21.812 9.043 -5.524
132 HE21 GLN 14 HE21 GLN 14 20.182 8.556 -7.616
133 HE22 GLN 14 HE22 GLN 14 18.562 8.183 -7.130
134 H ARG 15 HN ARG 15 23.912 11.630 -1.671
135 HA ARG 15 HA ARG 15 22.130 13.526 -0.369
136 HB2 ARG 15 HB2 ARG 15 24.991 12.621 0.450
137 HB3 ARG 15 HB1 ARG 15 23.920 13.667 1.457
138 HG2 ARG 15 HG2 ARG 15 22.274 11.835 1.667
139 HG3 ARG 15 HG1 ARG 15 23.239 10.839 0.553
140 HD2 ARG 15 HD2 ARG 15 23.708 9.963 2.814
141 HD3 ARG 15 HD1 ARG 15 25.179 10.902 2.286
142 HE ARG 15 HE ARG 15 23.450 12.746 3.670
143 HH11 ARG 15 HH11 ARG 15 25.387 9.789 4.422
144 HH12 ARG 15 HH12 ARG 15 25.671 10.238 6.070
145 HH21 ARG 15 HH21 ARG 15 23.864 13.295 5.908
146 HH22 ARG 15 HH22 ARG 15 24.797 12.244 6.919
147 H LYS 16 HN LYS 16 25.370 13.441 -1.836
148 HA LYS 16 HA LYS 16 25.608 16.360 -1.780
149 HB2 LYS 16 HB2 LYS 16 27.531 14.202 -2.818
150 HB3 LYS 16 HB1 LYS 16 27.903 15.969 -2.741
151 HG2 LYS 16 HG2 LYS 16 27.602 15.910 -0.243
152 HG3 LYS 16 HG1 LYS 16 27.277 14.141 -0.336
153 HD2 LYS 16 HD2 LYS 16 29.534 13.767 -1.319
154 HD3 LYS 16 HD1 LYS 16 29.866 15.534 -1.252
155 HE2 LYS 16 HE2 LYS 16 29.706 15.471 1.272
156 HE3 LYS 16 HE1 LYS 16 29.372 13.691 1.201
157 HZ1 LYS 16 HZ1 LYS 16 31.546 13.522 -0.008
158 HZ2 LYS 16 HZ2 LYS 16 31.635 13.965 1.629
159 HZ3 LYS 16 HZ3 LYS 16 31.846 15.138 0.419
160 H LYS 17 HN LYS 17 24.059 14.181 -3.659
161 HA LYS 17 HA LYS 17 23.098 14.165 -5.570
162 HB2 LYS 17 HB2 LYS 17 24.044 17.046 -6.123
163 HB3 LYS 17 HB1 LYS 17 22.757 16.164 -7.023
164 HG2 LYS 17 HG2 LYS 17 21.336 16.050 -4.991
165 HG3 LYS 17 HG1 LYS 17 22.641 16.770 -3.987
166 HD2 LYS 17 HD2 LYS 17 21.112 18.533 -4.371
167 HD3 LYS 17 HD1 LYS 17 22.491 18.867 -5.466
168 HE2 LYS 17 HE2 LYS 17 21.169 18.020 -7.434
169 HE3 LYS 17 HE1 LYS 17 19.796 17.576 -6.339
170 HZ1 LYS 17 HZ1 LYS 17 19.179 19.699 -6.150
171 HZ2 LYS 17 HZ2 LYS 17 19.989 19.872 -7.633
172 HZ3 LYS 17 HZ3 LYS 17 20.757 20.326 -6.189
Start of MODEL 5
1 H1 GLU 1 HT1 GLU 1 32.452 -10.314 -1.593
2 H2 GLU 1 HT2 GLU 1 32.762 -8.954 -0.623
3 H3 GLU 1 HT3 GLU 1 32.393 -8.757 -2.270
4 HA GLU 1 HA GLU 1 30.219 -8.999 -1.996
5 HB2 GLU 1 HB2 GLU 1 30.944 -10.927 0.312
6 HB3 GLU 1 HB1 GLU 1 29.242 -10.398 0.030
7 HG2 GLU 1 HG2 GLU 1 29.324 -11.368 -2.314
8 HG3 GLU 1 HG1 GLU 1 31.018 -11.927 -2.015
9 H MET 2 HN MET 2 29.188 -7.126 -1.357
10 HA MET 2 HA MET 2 29.966 -6.001 1.263
11 HB2 MET 2 HB2 MET 2 28.740 -4.496 -1.135
12 HB3 MET 2 HB1 MET 2 29.242 -3.756 0.434
13 HG2 MET 2 HG2 MET 2 31.136 -5.108 -1.610
14 HG3 MET 2 HG1 MET 2 30.866 -3.350 -1.430
15 HE1 MET 2 HE1 MET 2 33.669 -4.760 -1.476
16 HE2 MET 2 HE2 MET 2 34.533 -3.840 -0.195
17 HE3 MET 2 HE3 MET 2 33.413 -2.987 -1.314
18 H ARG 3 HN ARG 3 28.147 -4.456 2.070
19 HA ARG 3 HA ARG 3 25.553 -5.788 1.916
20 HB2 ARG 3 HB2 ARG 3 27.159 -6.724 3.767
21 HB3 ARG 3 HB1 ARG 3 27.100 -5.087 4.486
22 HG2 ARG 3 HG2 ARG 3 24.391 -6.330 4.008
23 HG3 ARG 3 HG1 ARG 3 25.441 -7.265 5.127
24 HD2 ARG 3 HD2 ARG 3 25.651 -5.401 6.687
25 HD3 ARG 3 HD1 ARG 3 24.974 -4.211 5.480
26 HE ARG 3 HE ARG 3 23.064 -6.371 6.029
27 HH11 ARG 3 HH11 ARG 3 24.406 -3.334 7.457
28 HH12 ARG 3 HH12 ARG 3 22.989 -3.000 8.395
29 HH21 ARG 3 HH21 ARG 3 21.186 -5.865 7.312
30 HH22 ARG 3 HH22 ARG 3 21.148 -4.451 8.311
31 H LEU 4 HN LEU 4 27.633 -3.086 2.462
32 HA LEU 4 HA LEU 4 25.394 -1.336 2.999
33 HB2 LEU 4 HB2 LEU 4 26.709 0.041 4.298
34 HB3 LEU 4 HB1 LEU 4 27.192 -1.631 4.735
35 HG LEU 4 HG LEU 4 29.183 -0.272 4.724
36 HD11 LEU 4 HD11 LEU 4 30.690 -1.486 3.306
37 HD12 LEU 4 HD12 LEU 4 29.419 -1.803 2.064
38 HD13 LEU 4 HD13 LEU 4 29.334 -2.622 3.674
39 HD21 LEU 4 HD21 LEU 4 27.991 1.377 2.840
40 HD22 LEU 4 HD22 LEU 4 29.228 0.562 1.822
41 HD23 LEU 4 HD23 LEU 4 29.735 1.455 3.307
42 H SER 5 HN SER 5 27.502 -2.170 0.486
43 HA SER 5 HA SER 5 27.914 0.498 -0.378
44 HB2 SER 5 HB2 SER 5 29.173 -0.254 -2.281
45 HB3 SER 5 HB1 SER 5 29.591 -1.379 -0.936
46 HG SER 5 HG SER 5 27.932 -1.781 -3.182
47 H LYS 6 HN LYS 6 25.292 -1.431 -0.587
48 HA LYS 6 HA LYS 6 24.305 -0.270 -3.087
49 HB2 LYS 6 HB2 LYS 6 22.169 -1.585 -2.091
50 HB3 LYS 6 HB1 LYS 6 23.486 -2.391 -3.016
51 HG2 LYS 6 HG2 LYS 6 23.349 -3.762 -1.119
52 HG3 LYS 6 HG1 LYS 6 24.680 -2.645 -0.749
53 HD2 LYS 6 HD2 LYS 6 23.784 -1.890 1.093
54 HD3 LYS 6 HD1 LYS 6 22.196 -1.535 0.301
55 HE2 LYS 6 HE2 LYS 6 22.966 -4.384 1.211
56 HE3 LYS 6 HE1 LYS 6 22.238 -3.171 2.338
57 HZ1 LYS 6 HZ1 LYS 6 20.526 -3.022 0.307
58 HZ2 LYS 6 HZ2 LYS 6 20.364 -4.138 1.577
59 HZ3 LYS 6 HZ3 LYS 6 21.033 -4.629 0.095
60 H PHE 7 HN PHE 7 24.486 0.485 0.200
61 HA PHE 7 HA PHE 7 21.927 1.841 0.333
62 HB2 PHE 7 HB2 PHE 7 21.834 1.188 2.609
63 HB3 PHE 7 HB1 PHE 7 23.402 0.299 2.380
64 HD1 PHE 7 HD1 PHE 7 21.922 3.548 3.417
65 HD2 PHE 7 HD2 PHE 7 25.325 1.193 3.011
66 HE1 PHE 7 HE1 PHE 7 23.312 5.444 3.806
67 HE2 PHE 7 HE2 PHE 7 26.716 2.995 3.420
68 HZ PHE 7 HZ PHE 7 25.694 5.141 3.750
69 H PHE 8 HN PHE 8 25.332 1.803 0.131
70 HA PHE 8 HA PHE 8 25.377 4.546 0.632
71 HB2 PHE 8 HB2 PHE 8 27.399 3.884 1.354
72 HB3 PHE 8 HB1 PHE 8 27.250 2.306 0.515
73 HD1 PHE 8 HD1 PHE 8 28.903 5.535 0.514
74 HD2 PHE 8 HD2 PHE 8 27.698 2.289 -1.886
75 HE1 PHE 8 HE1 PHE 8 30.217 6.336 -1.361
76 HE2 PHE 8 HE2 PHE 8 28.919 3.050 -3.654
77 HZ PHE 8 HZ PHE 8 30.182 5.067 -3.422
78 H ARG 9 HN ARG 9 24.708 2.395 -1.735
79 HA ARG 9 HA ARG 9 25.323 4.374 -3.687
80 HB2 ARG 9 HB2 ARG 9 24.494 1.505 -3.996
81 HB3 ARG 9 HB1 ARG 9 24.142 2.588 -5.379
82 HG2 ARG 9 HG2 ARG 9 26.542 3.117 -5.596
83 HG3 ARG 9 HG1 ARG 9 26.903 2.135 -4.143
84 HD2 ARG 9 HD2 ARG 9 26.146 0.040 -5.302
85 HD3 ARG 9 HD1 ARG 9 25.700 1.019 -6.781
86 HE ARG 9 HE ARG 9 28.420 1.636 -6.163
87 HH11 ARG 9 HH11 ARG 9 26.514 -1.250 -7.188
88 HH12 ARG 9 HH12 ARG 9 27.836 -1.989 -8.028
89 HH21 ARG 9 HH21 ARG 9 30.176 0.590 -7.311
90 HH22 ARG 9 HH22 ARG 9 29.931 -0.933 -8.097
91 H ASP 10 HN ASP 10 22.949 3.805 -1.628
92 HA ASP 10 HA ASP 10 20.812 4.269 -3.445
93 HB2 ASP 10 HB2 ASP 10 21.249 3.751 -0.539
94 HB3 ASP 10 HB1 ASP 10 19.727 4.571 -1.019
95 H PHE 11 HN PHE 11 22.600 5.484 -0.911
96 HA PHE 11 HA PHE 11 20.970 7.940 -1.368
97 HB2 PHE 11 HB2 PHE 11 22.301 6.959 1.091
98 HB3 PHE 11 HB1 PHE 11 21.249 8.456 1.073
99 HD1 PHE 11 HD1 PHE 11 21.670 5.347 1.970
100 HD2 PHE 11 HD2 PHE 11 18.641 7.639 0.154
101 HE1 PHE 11 HE1 PHE 11 20.198 3.699 2.530
102 HE2 PHE 11 HE2 PHE 11 17.019 5.924 0.798
103 HZ PHE 11 HZ PHE 11 17.754 3.913 2.030
104 H ILE 12 HN ILE 12 24.127 6.800 -0.724
105 HA ILE 12 HA ILE 12 24.965 9.194 0.304
106 HB ILE 12 HB ILE 12 26.286 6.801 -0.692
107 HG12 ILE 12 HG12 ILE 12 26.280 6.024 1.366
108 HG13 ILE 12 HG11 ILE 12 26.714 7.564 2.158
109 HG21 ILE 12 HG21 ILE 12 28.070 8.301 -1.242
110 HG22 ILE 12 HG22 ILE 12 28.506 7.742 0.418
111 HG23 ILE 12 HG23 ILE 12 27.768 9.364 0.192
112 HD11 ILE 12 HD11 ILE 12 24.616 6.989 2.993
113 HD12 ILE 12 HD12 ILE 12 24.077 6.281 1.401
114 HD13 ILE 12 HD13 ILE 12 24.148 8.077 1.663
115 H LEU 13 HN LEU 13 25.094 7.909 -2.758
116 HA LEU 13 HA LEU 13 26.676 9.848 -4.059
117 HB2 LEU 13 HB2 LEU 13 24.290 8.466 -5.301
118 HB3 LEU 13 HB1 LEU 13 25.873 8.855 -6.080
119 HG LEU 13 HG LEU 13 25.146 6.678 -4.081
120 HD11 LEU 13 HD11 LEU 13 25.838 5.141 -5.986
121 HD12 LEU 13 HD12 LEU 13 25.959 6.595 -7.043
122 HD13 LEU 13 HD13 LEU 13 24.380 6.160 -6.275
123 HD21 LEU 13 HD21 LEU 13 27.318 6.988 -3.280
124 HD22 LEU 13 HD22 LEU 13 27.979 7.561 -4.872
125 HD23 LEU 13 HD23 LEU 13 27.635 5.808 -4.610
126 H GLN 14 HN GLN 14 23.387 9.709 -3.018
127 HA GLN 14 HA GLN 14 22.551 12.052 -4.590
128 HB2 GLN 14 HB2 GLN 14 20.996 9.864 -3.081
129 HB3 GLN 14 HB1 GLN 14 20.191 11.309 -3.829
130 HG2 GLN 14 HG2 GLN 14 21.195 10.596 -6.096
131 HG3 GLN 14 HG1 GLN 14 21.822 9.099 -5.288
132 HE21 GLN 14 HE21 GLN 14 20.264 8.392 -7.272
133 HE22 GLN 14 HE22 GLN 14 18.651 7.972 -6.803
134 H ARG 15 HN ARG 15 24.004 11.609 -1.536
135 HA ARG 15 HA ARG 15 22.314 13.469 -0.056
136 HB2 ARG 15 HB2 ARG 15 25.235 12.527 0.477
137 HB3 ARG 15 HB1 ARG 15 24.314 13.621 1.577
138 HG2 ARG 15 HG2 ARG 15 22.670 11.862 2.049
139 HG3 ARG 15 HG1 ARG 15 23.396 10.816 0.804
140 HD2 ARG 15 HD2 ARG 15 24.126 9.919 2.990
141 HD3 ARG 15 HD1 ARG 15 25.564 10.727 2.215
142 HE ARG 15 HE ARG 15 24.243 12.708 3.840
143 HH11 ARG 15 HH11 ARG 15 26.033 9.602 4.266
144 HH12 ARG 15 HH12 ARG 15 26.644 10.014 5.834
145 HH21 ARG 15 HH21 ARG 15 25.100 13.215 5.966
146 HH22 ARG 15 HH22 ARG 15 26.108 12.083 6.805
147 H LYS 16 HN LYS 16 25.366 13.318 -1.797
148 HA LYS 16 HA LYS 16 25.239 16.225 -2.301
149 HB2 LYS 16 HB2 LYS 16 27.600 14.253 -2.275
150 HB3 LYS 16 HB1 LYS 16 27.716 15.940 -2.920
151 HG2 LYS 16 HG2 LYS 16 27.054 16.858 -0.705
152 HG3 LYS 16 HG1 LYS 16 26.893 15.193 -0.038
153 HD2 LYS 16 HD2 LYS 16 29.290 14.761 -0.489
154 HD3 LYS 16 HD1 LYS 16 29.475 16.414 -1.179
155 HE2 LYS 16 HE2 LYS 16 28.895 17.417 1.075
156 HE3 LYS 16 HE1 LYS 16 28.718 15.749 1.763
157 HZ1 LYS 16 HZ1 LYS 16 31.176 15.801 0.525
158 HZ2 LYS 16 HZ2 LYS 16 30.852 15.863 2.191
159 HZ3 LYS 16 HZ3 LYS 16 31.056 17.301 1.310
160 H LYS 17 HN LYS 17 23.617 15.824 -3.787
161 HA LYS 17 HA LYS 17 23.685 14.093 -5.960
162 HB2 LYS 17 HB2 LYS 17 22.409 16.915 -5.867
163 HB3 LYS 17 HB1 LYS 17 21.933 15.561 -6.961
164 HG2 LYS 17 HG2 LYS 17 21.255 14.195 -4.961
165 HG3 LYS 17 HG1 LYS 17 21.716 15.559 -3.877
166 HD2 LYS 17 HD2 LYS 17 19.976 17.011 -4.987
167 HD3 LYS 17 HD1 LYS 17 19.510 15.635 -6.051
168 HE2 LYS 17 HE2 LYS 17 18.813 14.295 -4.024
169 HE3 LYS 17 HE1 LYS 17 19.295 15.673 -2.949
170 HZ1 LYS 17 HZ1 LYS 17 17.538 16.904 -3.624
171 HZ2 LYS 17 HZ2 LYS 17 16.862 15.351 -3.759
172 HZ3 LYS 17 HZ3 LYS 17 17.405 16.166 -5.147
Start of MODEL 6
1 H1 GLU 1 HT1 GLU 1 30.099 -10.877 -1.804
2 H2 GLU 1 HT2 GLU 1 29.069 -9.541 -2.002
3 H3 GLU 1 HT3 GLU 1 29.481 -10.072 -0.443
4 HA GLU 1 HA GLU 1 31.862 -9.634 -1.126
5 HB2 GLU 1 HB2 GLU 1 30.266 -8.065 -3.252
6 HB3 GLU 1 HB1 GLU 1 31.912 -7.529 -2.749
7 HG2 GLU 1 HG2 GLU 1 32.876 -9.759 -3.457
8 HG3 GLU 1 HG1 GLU 1 31.232 -10.305 -3.971
9 H MET 2 HN MET 2 29.152 -7.150 -1.364
10 HA MET 2 HA MET 2 30.176 -6.016 1.165
11 HB2 MET 2 HB2 MET 2 28.688 -4.342 -0.948
12 HB3 MET 2 HB1 MET 2 29.572 -3.758 0.511
13 HG2 MET 2 HG2 MET 2 31.162 -3.237 -1.066
14 HG3 MET 2 HG1 MET 2 31.693 -4.914 -0.733
15 HE1 MET 2 HE1 MET 2 32.518 -4.509 -4.503
16 HE2 MET 2 HE2 MET 2 33.087 -4.984 -2.865
17 HE3 MET 2 HE3 MET 2 32.620 -3.279 -3.195
18 H ARG 3 HN ARG 3 28.273 -4.407 1.985
19 HA ARG 3 HA ARG 3 25.777 -5.913 1.968
20 HB2 ARG 3 HB2 ARG 3 27.467 -6.649 3.840
21 HB3 ARG 3 HB1 ARG 3 27.264 -5.001 4.507
22 HG2 ARG 3 HG2 ARG 3 24.686 -6.517 4.032
23 HG3 ARG 3 HG1 ARG 3 25.796 -7.269 5.229
24 HD2 ARG 3 HD2 ARG 3 25.848 -5.164 6.585
25 HD3 ARG 3 HD1 ARG 3 24.818 -4.312 5.346
26 HE ARG 3 HE ARG 3 23.449 -6.718 6.202
27 HH11 ARG 3 HH11 ARG 3 24.404 -3.488 7.502
28 HH12 ARG 3 HH12 ARG 3 23.093 -3.410 8.630
29 HH21 ARG 3 HH21 ARG 3 21.697 -6.558 7.742
30 HH22 ARG 3 HH22 ARG 3 21.543 -5.171 8.767
31 H LEU 4 HN LEU 4 27.667 -3.043 2.663
32 HA LEU 4 HA LEU 4 25.308 -1.422 3.127
33 HB2 LEU 4 HB2 LEU 4 26.590 0.026 4.426
34 HB3 LEU 4 HB1 LEU 4 27.175 -1.620 4.845
35 HG LEU 4 HG LEU 4 29.070 -0.138 4.809
36 HD11 LEU 4 HD11 LEU 4 29.366 -1.692 2.168
37 HD12 LEU 4 HD12 LEU 4 29.404 -2.464 3.801
38 HD13 LEU 4 HD13 LEU 4 30.646 -1.233 3.356
39 HD21 LEU 4 HD21 LEU 4 29.102 0.687 1.922
40 HD22 LEU 4 HD22 LEU 4 29.470 1.629 3.416
41 HD23 LEU 4 HD23 LEU 4 27.762 1.396 2.887
42 H SER 5 HN SER 5 27.424 -2.153 0.635
43 HA SER 5 HA SER 5 27.805 0.493 -0.268
44 HB2 SER 5 HB2 SER 5 29.421 -1.491 -0.723
45 HB3 SER 5 HB1 SER 5 28.275 -1.984 -2.023
46 HG SER 5 HG SER 5 28.797 0.634 -2.223
47 H LYS 6 HN LYS 6 25.153 -1.567 -0.432
48 HA LYS 6 HA LYS 6 24.202 -0.391 -2.929
49 HB2 LYS 6 HB2 LYS 6 22.484 -1.901 -2.847
50 HB3 LYS 6 HB1 LYS 6 23.771 -2.790 -1.976
51 HG2 LYS 6 HG2 LYS 6 21.662 -1.086 -0.493
52 HG3 LYS 6 HG1 LYS 6 21.338 -2.797 -0.942
53 HD2 LYS 6 HD2 LYS 6 23.187 -3.580 0.516
54 HD3 LYS 6 HD1 LYS 6 23.759 -1.896 0.812
55 HE2 LYS 6 HE2 LYS 6 22.549 -2.471 2.803
56 HE3 LYS 6 HE1 LYS 6 21.383 -1.453 1.873
57 HZ1 LYS 6 HZ1 LYS 6 19.962 -3.118 1.826
58 HZ2 LYS 6 HZ2 LYS 6 20.982 -4.002 2.857
59 HZ3 LYS 6 HZ3 LYS 6 21.097 -4.199 1.174
60 H PHE 7 HN PHE 7 24.344 0.493 0.338
61 HA PHE 7 HA PHE 7 21.779 1.853 0.382
62 HB2 PHE 7 HB2 PHE 7 21.654 1.277 2.672
63 HB3 PHE 7 HB1 PHE 7 23.204 0.348 2.471
64 HD1 PHE 7 HD1 PHE 7 21.779 3.636 3.426
65 HD2 PHE 7 HD2 PHE 7 25.137 1.193 3.126
66 HE1 PHE 7 HE1 PHE 7 23.196 5.506 3.800
67 HE2 PHE 7 HE2 PHE 7 26.558 2.982 3.513
68 HZ PHE 7 HZ PHE 7 25.569 5.153 3.780
69 H PHE 8 HN PHE 8 25.169 1.814 0.240
70 HA PHE 8 HA PHE 8 25.229 4.588 0.692
71 HB2 PHE 8 HB2 PHE 8 27.241 3.888 1.427
72 HB3 PHE 8 HB1 PHE 8 27.069 2.303 0.600
73 HD1 PHE 8 HD1 PHE 8 28.774 5.511 0.570
74 HD2 PHE 8 HD2 PHE 8 27.521 2.257 -1.806
75 HE1 PHE 8 HE1 PHE 8 30.095 6.280 -1.313
76 HE2 PHE 8 HE2 PHE 8 28.754 2.989 -3.581
77 HZ PHE 8 HZ PHE 8 30.041 4.997 -3.366
78 H ARG 9 HN ARG 9 24.531 2.410 -1.645
79 HA ARG 9 HA ARG 9 25.200 4.318 -3.633
80 HB2 ARG 9 HB2 ARG 9 24.369 1.449 -3.822
81 HB3 ARG 9 HB1 ARG 9 23.932 2.461 -5.230
82 HG2 ARG 9 HG2 ARG 9 26.334 3.025 -5.572
83 HG3 ARG 9 HG1 ARG 9 26.759 2.082 -4.115
84 HD2 ARG 9 HD2 ARG 9 27.256 0.666 -6.061
85 HD3 ARG 9 HD1 ARG 9 25.760 -0.023 -5.272
86 HE ARG 9 HE ARG 9 25.002 1.907 -7.323
87 HH11 ARG 9 HH11 ARG 9 26.351 -1.428 -6.993
88 HH12 ARG 9 HH12 ARG 9 25.731 -1.966 -8.518
89 HH21 ARG 9 HH21 ARG 9 24.188 1.123 -9.367
90 HH22 ARG 9 HH22 ARG 9 24.492 -0.505 -9.876
91 H ASP 10 HN ASP 10 22.797 3.842 -1.583
92 HA ASP 10 HA ASP 10 20.686 4.314 -3.427
93 HB2 ASP 10 HB2 ASP 10 21.105 3.811 -0.511
94 HB3 ASP 10 HB1 ASP 10 19.572 4.601 -1.017
95 H PHE 11 HN PHE 11 22.452 5.563 -0.899
96 HA PHE 11 HA PHE 11 20.846 7.998 -1.383
97 HB2 PHE 11 HB2 PHE 11 22.163 7.032 1.088
98 HB3 PHE 11 HB1 PHE 11 21.112 8.532 1.057
99 HD1 PHE 11 HD1 PHE 11 21.523 5.434 2.000
100 HD2 PHE 11 HD2 PHE 11 18.511 7.695 0.111
101 HE1 PHE 11 HE1 PHE 11 20.041 3.789 2.560
102 HE2 PHE 11 HE2 PHE 11 16.884 5.986 0.753
103 HZ PHE 11 HZ PHE 11 17.606 3.996 2.021
104 H ILE 12 HN ILE 12 23.983 6.839 -0.687
105 HA ILE 12 HA ILE 12 24.859 9.234 0.295
106 HB ILE 12 HB ILE 12 26.150 6.806 -0.668
107 HG12 ILE 12 HG12 ILE 12 26.144 6.051 1.402
108 HG13 ILE 12 HG11 ILE 12 26.574 7.602 2.179
109 HG21 ILE 12 HG21 ILE 12 27.954 8.280 -1.227
110 HG22 ILE 12 HG22 ILE 12 28.380 7.728 0.438
111 HG23 ILE 12 HG23 ILE 12 27.663 9.358 0.199
112 HD11 ILE 12 HD11 ILE 12 24.010 8.108 1.672
113 HD12 ILE 12 HD12 ILE 12 24.469 7.036 3.007
114 HD13 ILE 12 HD13 ILE 12 23.937 6.314 1.413
115 H LEU 13 HN LEU 13 24.992 7.881 -2.749
116 HA LEU 13 HA LEU 13 26.615 9.746 -4.083
117 HB2 LEU 13 HB2 LEU 13 24.181 8.404 -5.286
118 HB3 LEU 13 HB1 LEU 13 25.757 8.761 -6.094
119 HG LEU 13 HG LEU 13 25.023 6.618 -4.068
120 HD11 LEU 13 HD11 LEU 13 25.661 5.044 -5.941
121 HD12 LEU 13 HD12 LEU 13 25.876 6.469 -7.020
122 HD13 LEU 13 HD13 LEU 13 24.257 6.120 -6.289
123 HD21 LEU 13 HD21 LEU 13 27.869 7.443 -4.890
124 HD22 LEU 13 HD22 LEU 13 27.492 5.707 -4.563
125 HD23 LEU 13 HD23 LEU 13 27.208 6.939 -3.277
126 H GLN 14 HN GLN 14 23.308 9.728 -3.070
127 HA GLN 14 HA GLN 14 22.583 12.080 -4.680
128 HB2 GLN 14 HB2 GLN 14 20.957 9.948 -3.169
129 HB3 GLN 14 HB1 GLN 14 20.188 11.441 -3.858
130 HG2 GLN 14 HG2 GLN 14 21.148 10.738 -6.169
131 HG3 GLN 14 HG1 GLN 14 21.677 9.188 -5.392
132 HE21 GLN 14 HE21 GLN 14 20.264 7.772 -6.525
133 HE22 GLN 14 HE22 GLN 14 18.540 7.800 -6.359
134 H ARG 15 HN ARG 15 23.956 11.614 -1.567
135 HA ARG 15 HA ARG 15 22.323 13.592 -0.180
136 HB2 ARG 15 HB2 ARG 15 25.168 12.518 0.499
137 HB3 ARG 15 HB1 ARG 15 24.230 13.644 1.550
138 HG2 ARG 15 HG2 ARG 15 22.494 11.934 1.914
139 HG3 ARG 15 HG1 ARG 15 23.279 10.861 0.732
140 HD2 ARG 15 HD2 ARG 15 23.850 9.957 2.959
141 HD3 ARG 15 HD1 ARG 15 25.349 10.755 2.299
142 HE ARG 15 HE ARG 15 23.908 12.746 3.812
143 HH11 ARG 15 HH11 ARG 15 25.674 9.648 4.392
144 HH12 ARG 15 HH12 ARG 15 26.156 10.073 6.000
145 HH21 ARG 15 HH21 ARG 15 24.587 13.264 5.993
146 HH22 ARG 15 HH22 ARG 15 25.533 12.143 6.914
147 H LYS 16 HN LYS 16 25.468 13.253 -1.758
148 HA LYS 16 HA LYS 16 25.471 16.147 -2.343
149 HB2 LYS 16 HB2 LYS 16 27.762 14.107 -2.122
150 HB3 LYS 16 HB1 LYS 16 27.967 15.757 -2.833
151 HG2 LYS 16 HG2 LYS 16 27.221 16.795 -0.696
152 HG3 LYS 16 HG1 LYS 16 26.979 15.166 0.033
153 HD2 LYS 16 HD2 LYS 16 29.384 14.652 -0.278
154 HD3 LYS 16 HD1 LYS 16 29.649 16.266 -1.029
155 HE2 LYS 16 HE2 LYS 16 28.993 17.386 1.146
156 HE3 LYS 16 HE1 LYS 16 28.734 15.757 1.899
157 HZ1 LYS 16 HZ1 LYS 16 30.839 16.140 2.510
158 HZ2 LYS 16 HZ2 LYS 16 31.208 17.140 1.187
159 HZ3 LYS 16 HZ3 LYS 16 31.185 15.452 0.996
160 H LYS 17 HN LYS 17 23.930 15.781 -3.896
161 HA LYS 17 HA LYS 17 23.931 14.011 -6.001
162 HB2 LYS 17 HB2 LYS 17 23.038 16.974 -6.105
163 HB3 LYS 17 HB1 LYS 17 22.454 15.646 -7.178
164 HG2 LYS 17 HG2 LYS 17 21.452 14.482 -5.188
165 HG3 LYS 17 HG1 LYS 17 22.035 15.812 -4.116
166 HD2 LYS 17 HD2 LYS 17 20.618 17.454 -5.406
167 HD3 LYS 17 HD1 LYS 17 20.026 16.118 -6.458
168 HE2 LYS 17 HE2 LYS 17 18.976 14.999 -4.453
169 HE3 LYS 17 HE1 LYS 17 19.586 16.332 -3.388
170 HZ1 LYS 17 HZ1 LYS 17 17.708 17.338 -3.862
171 HZ2 LYS 17 HZ2 LYS 17 17.301 16.241 -5.093
172 HZ3 LYS 17 HZ3 LYS 17 18.274 17.588 -5.443
Start of MODEL 7
1 H1 GLU 1 HT1 GLU 1 28.394 -8.878 -2.016
2 H2 GLU 1 HT2 GLU 1 29.091 -10.159 -1.147
3 H3 GLU 1 HT3 GLU 1 29.213 -10.117 -2.840
4 HA GLU 1 HA GLU 1 31.264 -9.495 -1.744
5 HB2 GLU 1 HB2 GLU 1 29.780 -7.363 -3.416
6 HB3 GLU 1 HB1 GLU 1 31.500 -7.128 -2.923
7 HG2 GLU 1 HG2 GLU 1 32.153 -9.259 -4.121
8 HG3 GLU 1 HG1 GLU 1 30.436 -9.503 -4.626
9 H MET 2 HN MET 2 28.899 -6.699 -1.377
10 HA MET 2 HA MET 2 29.932 -6.347 1.359
11 HB2 MET 2 HB2 MET 2 29.413 -4.108 -0.696
12 HB3 MET 2 HB1 MET 2 29.622 -3.796 1.065
13 HG2 MET 2 HG2 MET 2 31.927 -4.816 0.947
14 HG3 MET 2 HG1 MET 2 31.721 -5.085 -0.814
15 HE1 MET 2 HE1 MET 2 34.449 -2.306 -0.598
16 HE2 MET 2 HE2 MET 2 33.991 -3.932 -1.211
17 HE3 MET 2 HE3 MET 2 34.161 -3.653 0.558
18 H ARG 3 HN ARG 3 28.481 -4.965 2.657
19 HA ARG 3 HA ARG 3 25.749 -5.932 2.266
20 HB2 ARG 3 HB2 ARG 3 27.329 -6.634 4.231
21 HB3 ARG 3 HB1 ARG 3 27.170 -4.944 4.799
22 HG2 ARG 3 HG2 ARG 3 24.533 -6.327 4.307
23 HG3 ARG 3 HG1 ARG 3 25.560 -7.137 5.539
24 HD2 ARG 3 HD2 ARG 3 25.731 -5.003 6.859
25 HD3 ARG 3 HD1 ARG 3 24.755 -4.126 5.595
26 HE ARG 3 HE ARG 3 23.228 -6.416 6.437
27 HH11 ARG 3 HH11 ARG 3 24.453 -3.334 7.869
28 HH12 ARG 3 HH12 ARG 3 23.157 -3.200 9.011
29 HH21 ARG 3 HH21 ARG 3 21.504 -6.181 8.001
30 HH22 ARG 3 HH22 ARG 3 21.470 -4.831 9.086
31 H LEU 4 HN LEU 4 27.705 -3.070 2.876
32 HA LEU 4 HA LEU 4 25.367 -1.393 3.225
33 HB2 LEU 4 HB2 LEU 4 26.639 0.097 4.485
34 HB3 LEU 4 HB1 LEU 4 27.187 -1.535 4.994
35 HG LEU 4 HG LEU 4 29.114 -0.097 4.927
36 HD11 LEU 4 HD11 LEU 4 29.419 -2.466 4.008
37 HD12 LEU 4 HD12 LEU 4 30.693 -1.273 3.542
38 HD13 LEU 4 HD13 LEU 4 29.425 -1.748 2.347
39 HD21 LEU 4 HD21 LEU 4 29.175 0.618 2.004
40 HD22 LEU 4 HD22 LEU 4 29.586 1.601 3.462
41 HD23 LEU 4 HD23 LEU 4 27.864 1.404 2.952
42 H SER 5 HN SER 5 27.473 -2.239 0.748
43 HA SER 5 HA SER 5 27.895 0.400 -0.192
44 HB2 SER 5 HB2 SER 5 29.088 -0.452 -2.118
45 HB3 SER 5 HB1 SER 5 29.559 -1.472 -0.715
46 HG SER 5 HG SER 5 28.201 -2.106 -3.005
47 H LYS 6 HN LYS 6 25.245 -1.642 -0.353
48 HA LYS 6 HA LYS 6 24.321 -0.481 -2.870
49 HB2 LYS 6 HB2 LYS 6 22.583 -1.971 -2.785
50 HB3 LYS 6 HB1 LYS 6 23.854 -2.862 -1.892
51 HG2 LYS 6 HG2 LYS 6 21.745 -1.120 -0.452
52 HG3 LYS 6 HG1 LYS 6 21.417 -2.837 -0.876
53 HD2 LYS 6 HD2 LYS 6 23.246 -3.607 0.618
54 HD3 LYS 6 HD1 LYS 6 23.827 -1.922 0.891
55 HE2 LYS 6 HE2 LYS 6 22.585 -2.450 2.878
56 HE3 LYS 6 HE1 LYS 6 21.442 -1.437 1.914
57 HZ1 LYS 6 HZ1 LYS 6 21.420 -4.411 2.167
58 HZ2 LYS 6 HZ2 LYS 6 20.417 -3.529 1.119
59 HZ3 LYS 6 HZ3 LYS 6 20.294 -3.308 2.799
60 H PHE 7 HN PHE 7 24.441 0.455 0.382
61 HA PHE 7 HA PHE 7 21.886 1.832 0.382
62 HB2 PHE 7 HB2 PHE 7 21.738 1.291 2.678
63 HB3 PHE 7 HB1 PHE 7 23.291 0.358 2.510
64 HD1 PHE 7 HD1 PHE 7 21.853 3.662 3.403
65 HD2 PHE 7 HD2 PHE 7 25.219 1.223 3.151
66 HE1 PHE 7 HE1 PHE 7 23.268 5.544 3.750
67 HE2 PHE 7 HE2 PHE 7 26.634 3.019 3.519
68 HZ PHE 7 HZ PHE 7 25.642 5.192 3.744
69 H PHE 8 HN PHE 8 25.280 1.766 0.260
70 HA PHE 8 HA PHE 8 25.352 4.551 0.661
71 HB2 PHE 8 HB2 PHE 8 27.355 3.856 1.425
72 HB3 PHE 8 HB1 PHE 8 27.183 2.255 0.627
73 HD1 PHE 8 HD1 PHE 8 28.870 5.484 0.526
74 HD2 PHE 8 HD2 PHE 8 27.681 2.138 -1.752
75 HE1 PHE 8 HE1 PHE 8 30.195 6.210 -1.372
76 HE2 PHE 8 HE2 PHE 8 28.919 2.828 -3.542
77 HZ PHE 8 HZ PHE 8 30.177 4.859 -3.382
78 H ARG 9 HN ARG 9 24.658 2.338 -1.641
79 HA ARG 9 HA ARG 9 25.346 4.211 -3.659
80 HB2 ARG 9 HB2 ARG 9 24.487 1.341 -3.821
81 HB3 ARG 9 HB1 ARG 9 24.122 2.346 -5.259
82 HG2 ARG 9 HG2 ARG 9 26.548 2.874 -5.492
83 HG3 ARG 9 HG1 ARG 9 26.894 1.889 -4.033
84 HD2 ARG 9 HD2 ARG 9 26.100 -0.195 -5.172
85 HD3 ARG 9 HD1 ARG 9 25.619 0.776 -6.642
86 HE ARG 9 HE ARG 9 28.396 1.310 -6.052
87 HH11 ARG 9 HH11 ARG 9 26.311 -1.376 -7.277
88 HH12 ARG 9 HH12 ARG 9 27.574 -2.108 -8.207
89 HH21 ARG 9 HH21 ARG 9 30.066 0.273 -7.335
90 HH22 ARG 9 HH22 ARG 9 29.723 -1.164 -8.239
91 H ASP 10 HN ASP 10 22.925 3.774 -1.615
92 HA ASP 10 HA ASP 10 20.827 4.212 -3.484
93 HB2 ASP 10 HB2 ASP 10 21.221 3.755 -0.559
94 HB3 ASP 10 HB1 ASP 10 19.695 4.546 -1.083
95 H PHE 11 HN PHE 11 22.573 5.507 -0.964
96 HA PHE 11 HA PHE 11 20.960 7.930 -1.500
97 HB2 PHE 11 HB2 PHE 11 22.265 7.000 0.993
98 HB3 PHE 11 HB1 PHE 11 21.222 8.504 0.936
99 HD1 PHE 11 HD1 PHE 11 21.611 5.413 1.912
100 HD2 PHE 11 HD2 PHE 11 18.616 7.675 0.000
101 HE1 PHE 11 HE1 PHE 11 20.121 3.786 2.492
102 HE2 PHE 11 HE2 PHE 11 16.976 5.987 0.663
103 HZ PHE 11 HZ PHE 11 17.683 4.004 1.953
104 H ILE 12 HN ILE 12 24.093 6.793 -0.754
105 HA ILE 12 HA ILE 12 24.965 9.196 0.199
106 HB ILE 12 HB ILE 12 26.253 6.757 -0.733
107 HG12 ILE 12 HG12 ILE 12 26.237 6.029 1.347
108 HG13 ILE 12 HG11 ILE 12 26.676 7.587 2.103
109 HG21 ILE 12 HG21 ILE 12 28.486 7.688 0.369
110 HG22 ILE 12 HG22 ILE 12 27.775 9.316 0.102
111 HG23 ILE 12 HG23 ILE 12 28.068 8.211 -1.306
112 HD11 ILE 12 HD11 ILE 12 24.115 8.105 1.580
113 HD12 ILE 12 HD12 ILE 12 24.566 7.054 2.934
114 HD13 ILE 12 HD13 ILE 12 24.033 6.304 1.352
115 H LEU 13 HN LEU 13 25.114 7.817 -2.826
116 HA LEU 13 HA LEU 13 26.745 9.664 -4.171
117 HB2 LEU 13 HB2 LEU 13 24.321 8.291 -5.364
118 HB3 LEU 13 HB1 LEU 13 25.894 8.647 -6.176
119 HG LEU 13 HG LEU 13 25.176 6.529 -4.114
120 HD11 LEU 13 HD11 LEU 13 24.419 5.998 -6.334
121 HD12 LEU 13 HD12 LEU 13 25.818 4.925 -5.952
122 HD13 LEU 13 HD13 LEU 13 26.043 6.331 -7.059
123 HD21 LEU 13 HD21 LEU 13 27.354 6.878 -3.321
124 HD22 LEU 13 HD22 LEU 13 28.015 7.374 -4.939
125 HD23 LEU 13 HD23 LEU 13 27.660 5.638 -4.597
126 H GLN 14 HN GLN 14 23.413 9.653 -3.211
127 HA GLN 14 HA GLN 14 22.711 11.977 -4.871
128 HB2 GLN 14 HB2 GLN 14 21.048 9.871 -3.365
129 HB3 GLN 14 HB1 GLN 14 20.299 11.331 -4.139
130 HG2 GLN 14 HG2 GLN 14 21.354 10.541 -6.381
131 HG3 GLN 14 HG1 GLN 14 21.843 9.020 -5.525
132 HE21 GLN 14 HE21 GLN 14 20.237 8.563 -7.641
133 HE22 GLN 14 HE22 GLN 14 18.605 8.210 -7.181
134 H ARG 15 HN ARG 15 24.005 11.656 -1.693
135 HA ARG 15 HA ARG 15 22.147 13.371 -0.284
136 HB2 ARG 15 HB2 ARG 15 25.112 12.692 0.354
137 HB3 ARG 15 HB1 ARG 15 24.057 13.684 1.429
138 HG2 ARG 15 HG2 ARG 15 22.531 11.776 1.756
139 HG3 ARG 15 HG1 ARG 15 23.459 10.828 0.572
140 HD2 ARG 15 HD2 ARG 15 24.109 9.984 2.816
141 HD3 ARG 15 HD1 ARG 15 25.507 10.953 2.153
142 HE ARG 15 HE ARG 15 23.818 12.754 3.663
143 HH11 ARG 15 HH11 ARG 15 26.015 9.944 4.246
144 HH12 ARG 15 HH12 ARG 15 26.442 10.447 5.847
145 HH21 ARG 15 HH21 ARG 15 24.434 13.381 5.832
146 HH22 ARG 15 HH22 ARG 15 25.537 12.413 6.753
147 H LYS 16 HN LYS 16 25.364 13.716 -1.801
148 HA LYS 16 HA LYS 16 24.982 16.639 -1.863
149 HB2 LYS 16 HB2 LYS 16 27.414 16.857 -2.194
150 HB3 LYS 16 HB1 LYS 16 27.002 15.985 -0.686
151 HG2 LYS 16 HG2 LYS 16 27.492 13.779 -1.828
152 HG3 LYS 16 HG1 LYS 16 27.954 14.674 -3.322
153 HD2 LYS 16 HD2 LYS 16 29.719 15.895 -2.027
154 HD3 LYS 16 HD1 LYS 16 29.254 14.976 -0.555
155 HE2 LYS 16 HE2 LYS 16 29.954 12.818 -1.663
156 HE3 LYS 16 HE1 LYS 16 30.402 13.730 -3.163
157 HZ1 LYS 16 HZ1 LYS 16 32.379 13.858 -2.228
158 HZ2 LYS 16 HZ2 LYS 16 31.824 13.413 -0.686
159 HZ3 LYS 16 HZ3 LYS 16 31.733 15.034 -1.186
160 H LYS 17 HN LYS 17 23.872 14.437 -3.709
161 HA LYS 17 HA LYS 17 23.312 14.143 -5.762
162 HB2 LYS 17 HB2 LYS 17 24.269 17.028 -6.284
163 HB3 LYS 17 HB1 LYS 17 23.238 16.065 -7.406
164 HG2 LYS 17 HG2 LYS 17 21.453 15.906 -5.645
165 HG3 LYS 17 HG1 LYS 17 22.475 16.866 -4.513
166 HD2 LYS 17 HD2 LYS 17 22.423 18.796 -6.099
167 HD3 LYS 17 HD1 LYS 17 21.407 17.846 -7.240
168 HE2 LYS 17 HE2 LYS 17 19.569 17.728 -5.502
169 HE3 LYS 17 HE1 LYS 17 20.599 18.684 -4.357
170 HZ1 LYS 17 HZ1 LYS 17 18.840 19.654 -6.208
171 HZ2 LYS 17 HZ2 LYS 17 20.357 19.942 -6.916
172 HZ3 LYS 17 HZ3 LYS 17 20.018 20.536 -5.361
Start of MODEL 8
1 H1 GLU 1 HT1 GLU 1 30.403 -11.136 -0.900
2 H2 GLU 1 HT2 GLU 1 29.604 -9.957 -1.825
3 H3 GLU 1 HT3 GLU 1 29.430 -9.973 -0.135
4 HA GLU 1 HA GLU 1 32.036 -9.801 -0.276
5 HB2 GLU 1 HB2 GLU 1 30.920 -8.485 -2.833
6 HB3 GLU 1 HB1 GLU 1 32.450 -7.894 -2.082
7 HG2 GLU 1 HG2 GLU 1 33.493 -10.176 -2.335
8 HG3 GLU 1 HG1 GLU 1 31.965 -10.804 -3.067
9 H MET 2 HN MET 2 29.450 -7.368 -1.282
10 HA MET 2 HA MET 2 30.108 -5.904 1.199
11 HB2 MET 2 HB2 MET 2 28.725 -4.642 -1.242
12 HB3 MET 2 HB1 MET 2 29.354 -3.805 0.230
13 HG2 MET 2 HG2 MET 2 31.055 -3.302 -1.258
14 HG3 MET 2 HG1 MET 2 31.721 -4.810 -0.563
15 HE1 MET 2 HE1 MET 2 32.952 -3.645 -3.084
16 HE2 MET 2 HE2 MET 2 33.106 -5.095 -4.136
17 HE3 MET 2 HE3 MET 2 33.401 -5.230 -2.368
18 H ARG 3 HN ARG 3 28.126 -4.429 1.818
19 HA ARG 3 HA ARG 3 25.628 -5.885 1.553
20 HB2 ARG 3 HB2 ARG 3 25.537 -5.463 4.209
21 HB3 ARG 3 HB1 ARG 3 26.136 -6.999 3.528
22 HG2 ARG 3 HG2 ARG 3 28.367 -6.575 4.138
23 HG3 ARG 3 HG1 ARG 3 28.180 -4.797 4.028
24 HD2 ARG 3 HD2 ARG 3 28.490 -5.355 6.385
25 HD3 ARG 3 HD1 ARG 3 26.748 -4.875 6.172
26 HE ARG 3 HE ARG 3 27.043 -7.760 5.825
27 HH11 ARG 3 HH11 ARG 3 27.057 -5.237 8.401
28 HH12 ARG 3 HH12 ARG 3 26.546 -6.323 9.648
29 HH21 ARG 3 HH21 ARG 3 26.359 -9.186 7.539
30 HH22 ARG 3 HH22 ARG 3 26.146 -8.594 9.153
31 H LEU 4 HN LEU 4 27.532 -3.152 2.425
32 HA LEU 4 HA LEU 4 25.250 -1.460 2.989
33 HB2 LEU 4 HB2 LEU 4 26.659 -0.080 4.275
34 HB3 LEU 4 HB1 LEU 4 27.108 -1.772 4.683
35 HG LEU 4 HG LEU 4 29.110 -0.450 4.636
36 HD11 LEU 4 HD11 LEU 4 30.560 -1.744 3.251
37 HD12 LEU 4 HD12 LEU 4 29.284 -2.025 2.002
38 HD13 LEU 4 HD13 LEU 4 29.157 -2.825 3.623
39 HD21 LEU 4 HD21 LEU 4 29.137 0.347 1.725
40 HD22 LEU 4 HD22 LEU 4 29.691 1.239 3.192
41 HD23 LEU 4 HD23 LEU 4 27.939 1.210 2.756
42 H SER 5 HN SER 5 27.239 -2.276 0.452
43 HA SER 5 HA SER 5 27.768 0.372 -0.431
44 HB2 SER 5 HB2 SER 5 29.277 -1.683 -0.928
45 HB3 SER 5 HB1 SER 5 28.084 -2.118 -2.207
46 HG SER 5 HG SER 5 28.931 -0.648 -3.397
47 H LYS 6 HN LYS 6 25.041 -1.573 -0.561
48 HA LYS 6 HA LYS 6 24.072 -0.328 -3.016
49 HB2 LYS 6 HB2 LYS 6 22.307 -1.784 -2.919
50 HB3 LYS 6 HB1 LYS 6 23.583 -2.730 -2.095
51 HG2 LYS 6 HG2 LYS 6 21.555 -0.988 -0.544
52 HG3 LYS 6 HG1 LYS 6 21.184 -2.686 -1.003
53 HD2 LYS 6 HD2 LYS 6 23.029 -3.532 0.412
54 HD3 LYS 6 HD1 LYS 6 23.670 -1.873 0.697
55 HE2 LYS 6 HE2 LYS 6 22.495 -2.386 2.715
56 HE3 LYS 6 HE1 LYS 6 21.331 -1.345 1.806
57 HZ1 LYS 6 HZ1 LYS 6 19.989 -3.035 2.421
58 HZ2 LYS 6 HZ2 LYS 6 21.207 -4.217 2.403
59 HZ3 LYS 6 HZ3 LYS 6 20.523 -3.683 0.944
60 H PHE 7 HN PHE 7 24.331 0.493 0.261
61 HA PHE 7 HA PHE 7 21.814 1.933 0.404
62 HB2 PHE 7 HB2 PHE 7 21.751 1.356 2.696
63 HB3 PHE 7 HB1 PHE 7 23.256 0.369 2.436
64 HD1 PHE 7 HD1 PHE 7 21.993 3.698 3.455
65 HD2 PHE 7 HD2 PHE 7 25.241 1.140 3.034
66 HE1 PHE 7 HE1 PHE 7 23.487 5.510 3.791
67 HE2 PHE 7 HE2 PHE 7 26.743 2.866 3.382
68 HZ PHE 7 HZ PHE 7 25.842 5.074 3.688
69 H PHE 8 HN PHE 8 25.186 1.799 0.139
70 HA PHE 8 HA PHE 8 25.347 4.564 0.615
71 HB2 PHE 8 HB2 PHE 8 27.354 3.797 1.291
72 HB3 PHE 8 HB1 PHE 8 27.107 2.222 0.461
73 HD1 PHE 8 HD1 PHE 8 28.890 5.394 0.385
74 HD2 PHE 8 HD2 PHE 8 27.512 2.154 -1.932
75 HE1 PHE 8 HE1 PHE 8 30.173 6.126 -1.539
76 HE2 PHE 8 HE2 PHE 8 28.710 2.848 -3.746
77 HZ PHE 8 HZ PHE 8 30.041 4.829 -3.579
78 H ARG 9 HN ARG 9 24.518 2.431 -1.713
79 HA ARG 9 HA ARG 9 25.167 4.342 -3.710
80 HB2 ARG 9 HB2 ARG 9 24.212 1.506 -3.914
81 HB3 ARG 9 HB1 ARG 9 23.841 2.567 -5.311
82 HG2 ARG 9 HG2 ARG 9 26.252 2.999 -5.638
83 HG3 ARG 9 HG1 ARG 9 26.633 2.023 -4.182
84 HD2 ARG 9 HD2 ARG 9 25.761 -0.053 -5.257
85 HD3 ARG 9 HD1 ARG 9 25.224 0.906 -6.716
86 HE ARG 9 HE ARG 9 28.007 1.444 -6.327
87 HH11 ARG 9 HH11 ARG 9 25.913 -1.383 -7.135
88 HH12 ARG 9 HH12 ARG 9 27.124 -2.177 -8.085
89 HH21 ARG 9 HH21 ARG 9 29.607 0.329 -7.616
90 HH22 ARG 9 HH22 ARG 9 29.244 -1.193 -8.358
91 H ASP 10 HN ASP 10 22.832 3.902 -1.570
92 HA ASP 10 HA ASP 10 20.667 4.412 -3.332
93 HB2 ASP 10 HB2 ASP 10 21.172 3.902 -0.436
94 HB3 ASP 10 HB1 ASP 10 19.655 4.754 -0.881
95 H PHE 11 HN PHE 11 22.541 5.625 -0.864
96 HA PHE 11 HA PHE 11 20.997 8.113 -1.283
97 HB2 PHE 11 HB2 PHE 11 22.370 7.099 1.139
98 HB3 PHE 11 HB1 PHE 11 21.353 8.621 1.145
99 HD1 PHE 11 HD1 PHE 11 21.732 5.508 2.056
100 HD2 PHE 11 HD2 PHE 11 18.706 7.859 0.312
101 HE1 PHE 11 HE1 PHE 11 20.234 3.898 2.674
102 HE2 PHE 11 HE2 PHE 11 17.061 6.191 1.016
103 HZ PHE 11 HZ PHE 11 17.783 4.174 2.244
104 H ILE 12 HN ILE 12 24.130 6.843 -0.732
105 HA ILE 12 HA ILE 12 25.091 9.204 0.264
106 HB ILE 12 HB ILE 12 26.297 6.766 -0.774
107 HG12 ILE 12 HG12 ILE 12 26.348 5.992 1.292
108 HG13 ILE 12 HG11 ILE 12 26.838 7.524 2.065
109 HG21 ILE 12 HG21 ILE 12 27.888 9.278 0.077
110 HG22 ILE 12 HG22 ILE 12 28.101 8.231 -1.387
111 HG23 ILE 12 HG23 ILE 12 28.586 7.627 0.243
112 HD11 ILE 12 HD11 ILE 12 24.272 8.092 1.659
113 HD12 ILE 12 HD12 ILE 12 24.754 6.994 2.963
114 HD13 ILE 12 HD13 ILE 12 24.145 6.306 1.382
115 H LEU 13 HN LEU 13 25.068 7.907 -2.792
116 HA LEU 13 HA LEU 13 26.651 9.799 -4.155
117 HB2 LEU 13 HB2 LEU 13 24.193 8.459 -5.303
118 HB3 LEU 13 HB1 LEU 13 25.753 8.812 -6.140
119 HG LEU 13 HG LEU 13 25.068 6.666 -4.093
120 HD11 LEU 13 HD11 LEU 13 25.649 5.093 -6.001
121 HD12 LEU 13 HD12 LEU 13 25.769 6.532 -7.082
122 HD13 LEU 13 HD13 LEU 13 24.206 6.148 -6.255
123 HD21 LEU 13 HD21 LEU 13 27.527 5.758 -4.718
124 HD22 LEU 13 HD22 LEU 13 27.273 6.943 -3.382
125 HD23 LEU 13 HD23 LEU 13 27.876 7.511 -4.998
126 H GLN 14 HN GLN 14 23.393 9.731 -3.007
127 HA GLN 14 HA GLN 14 22.570 12.097 -4.552
128 HB2 GLN 14 HB2 GLN 14 20.998 9.952 -3.001
129 HB3 GLN 14 HB1 GLN 14 20.217 11.415 -3.732
130 HG2 GLN 14 HG2 GLN 14 21.134 10.676 -6.022
131 HG3 GLN 14 HG1 GLN 14 21.750 9.166 -5.232
132 HE21 GLN 14 HE21 GLN 14 20.125 8.474 -7.158
133 HE22 GLN 14 HE22 GLN 14 18.512 8.103 -6.644
134 H ARG 15 HN ARG 15 24.108 11.626 -1.560
135 HA ARG 15 HA ARG 15 22.509 13.503 -0.004
136 HB2 ARG 15 HB2 ARG 15 25.431 12.491 0.386
137 HB3 ARG 15 HB1 ARG 15 24.617 13.632 1.520
138 HG2 ARG 15 HG2 ARG 15 22.956 11.949 2.134
139 HG3 ARG 15 HG1 ARG 15 23.525 10.866 0.840
140 HD2 ARG 15 HD2 ARG 15 24.369 9.932 2.969
141 HD3 ARG 15 HD1 ARG 15 25.783 10.651 2.078
142 HE ARG 15 HE ARG 15 24.715 12.698 3.810
143 HH11 ARG 15 HH11 ARG 15 26.360 9.490 4.047
144 HH12 ARG 15 HH12 ARG 15 27.144 9.853 5.549
145 HH21 ARG 15 HH21 ARG 15 25.805 13.131 5.847
146 HH22 ARG 15 HH22 ARG 15 26.824 11.936 6.575
147 H LYS 16 HN LYS 16 25.473 13.307 -1.873
148 HA LYS 16 HA LYS 16 25.381 16.216 -2.365
149 HB2 LYS 16 HB2 LYS 16 27.703 14.198 -2.424
150 HB3 LYS 16 HB1 LYS 16 27.834 15.888 -3.056
151 HG2 LYS 16 HG2 LYS 16 27.264 16.803 -0.819
152 HG3 LYS 16 HG1 LYS 16 27.057 15.141 -0.160
153 HD2 LYS 16 HD2 LYS 16 29.430 14.632 -0.662
154 HD3 LYS 16 HD1 LYS 16 29.657 16.286 -1.333
155 HE2 LYS 16 HE2 LYS 16 29.158 17.283 0.936
156 HE3 LYS 16 HE1 LYS 16 28.917 15.617 1.613
157 HZ1 LYS 16 HZ1 LYS 16 31.419 16.702 0.415
158 HZ2 LYS 16 HZ2 LYS 16 31.205 15.125 1.006
159 HZ3 LYS 16 HZ3 LYS 16 31.104 16.449 2.065
160 H LYS 17 HN LYS 17 23.695 15.842 -3.778
161 HA LYS 17 HA LYS 17 23.645 14.121 -5.960
162 HB2 LYS 17 HB2 LYS 17 22.407 16.955 -5.778
163 HB3 LYS 17 HB1 LYS 17 21.870 15.627 -6.876
164 HG2 LYS 17 HG2 LYS 17 21.257 14.231 -4.881
165 HG3 LYS 17 HG1 LYS 17 21.789 15.560 -3.786
166 HD2 LYS 17 HD2 LYS 17 20.020 17.063 -4.776
167 HD3 LYS 17 HD1 LYS 17 19.484 15.719 -5.849
168 HE2 LYS 17 HE2 LYS 17 18.870 14.338 -3.822
169 HE3 LYS 17 HE1 LYS 17 19.420 15.683 -2.741
170 HZ1 LYS 17 HZ1 LYS 17 17.045 15.474 -4.439
171 HZ2 LYS 17 HZ2 LYS 17 17.741 17.010 -4.243
172 HZ3 LYS 17 HZ3 LYS 17 17.239 16.125 -2.883
Start of MODEL 9
1 H1 GLU 1 HT1 GLU 1 31.823 -8.473 -3.069
2 H2 GLU 1 HT2 GLU 1 31.807 -10.142 -2.760
3 H3 GLU 1 HT3 GLU 1 32.405 -9.068 -1.588
4 HA GLU 1 HA GLU 1 29.682 -8.683 -2.523
5 HB2 GLU 1 HB2 GLU 1 30.609 -10.985 -0.679
6 HB3 GLU 1 HB1 GLU 1 28.936 -10.316 -0.564
7 HG2 GLU 1 HG2 GLU 1 28.515 -10.906 -2.988
8 HG3 GLU 1 HG1 GLU 1 30.184 -11.588 -3.112
9 H MET 2 HN MET 2 28.833 -6.950 -1.417
10 HA MET 2 HA MET 2 30.021 -6.315 1.211
11 HB2 MET 2 HB2 MET 2 28.830 -4.224 -0.718
12 HB3 MET 2 HB1 MET 2 29.701 -3.910 0.830
13 HG2 MET 2 HG2 MET 2 31.431 -3.457 -0.620
14 HG3 MET 2 HG1 MET 2 31.720 -5.213 -0.434
15 HE1 MET 2 HE1 MET 2 33.222 -5.240 -2.494
16 HE2 MET 2 HE2 MET 2 32.976 -3.469 -2.683
17 HE3 MET 2 HE3 MET 2 32.804 -4.556 -4.104
18 H ARG 3 HN ARG 3 28.399 -4.603 2.306
19 HA ARG 3 HA ARG 3 25.756 -5.870 2.249
20 HB2 ARG 3 HB2 ARG 3 27.466 -6.597 4.109
21 HB3 ARG 3 HB1 ARG 3 27.301 -4.927 4.730
22 HG2 ARG 3 HG2 ARG 3 24.647 -6.256 4.337
23 HG3 ARG 3 HG1 ARG 3 25.724 -7.218 5.398
24 HD2 ARG 3 HD2 ARG 3 25.411 -4.176 5.911
25 HD3 ARG 3 HD1 ARG 3 24.127 -5.345 6.481
26 HE ARG 3 HE ARG 3 26.662 -6.401 7.317
27 HH11 ARG 3 HH11 ARG 3 24.621 -3.497 7.990
28 HH12 ARG 3 HH12 ARG 3 25.212 -3.298 9.605
29 HH21 ARG 3 HH21 ARG 3 27.422 -6.081 9.507
30 HH22 ARG 3 HH22 ARG 3 26.815 -4.777 10.472
31 H LEU 4 HN LEU 4 27.745 -3.032 2.846
32 HA LEU 4 HA LEU 4 25.415 -1.348 3.247
33 HB2 LEU 4 HB2 LEU 4 26.688 0.106 4.535
34 HB3 LEU 4 HB1 LEU 4 27.250 -1.534 5.002
35 HG LEU 4 HG LEU 4 29.165 -0.086 4.965
36 HD11 LEU 4 HD11 LEU 4 30.744 -1.226 3.552
37 HD12 LEU 4 HD12 LEU 4 29.475 -1.679 2.349
38 HD13 LEU 4 HD13 LEU 4 29.473 -2.433 3.992
39 HD21 LEU 4 HD21 LEU 4 29.232 0.699 2.064
40 HD22 LEU 4 HD22 LEU 4 29.608 1.656 3.548
41 HD23 LEU 4 HD23 LEU 4 27.897 1.443 3.013
42 H SER 5 HN SER 5 27.547 -2.170 0.780
43 HA SER 5 HA SER 5 27.947 0.489 -0.129
44 HB2 SER 5 HB2 SER 5 28.599 -2.127 -1.595
45 HB3 SER 5 HB1 SER 5 29.013 -0.474 -2.196
46 HG SER 5 HG SER 5 30.237 -0.174 -0.343
47 H LYS 6 HN LYS 6 25.325 -1.589 -0.331
48 HA LYS 6 HA LYS 6 24.446 -0.456 -2.875
49 HB2 LYS 6 HB2 LYS 6 22.730 -1.974 -2.824
50 HB3 LYS 6 HB1 LYS 6 23.993 -2.846 -1.903
51 HG2 LYS 6 HG2 LYS 6 21.829 -1.131 -0.514
52 HG3 LYS 6 HG1 LYS 6 21.533 -2.853 -0.942
53 HD2 LYS 6 HD2 LYS 6 23.329 -3.599 0.601
54 HD3 LYS 6 HD1 LYS 6 23.893 -1.908 0.872
55 HE2 LYS 6 HE2 LYS 6 22.619 -2.422 2.837
56 HE3 LYS 6 HE1 LYS 6 21.484 -1.433 1.839
57 HZ1 LYS 6 HZ1 LYS 6 21.462 -4.403 1.713
58 HZ2 LYS 6 HZ2 LYS 6 20.248 -3.300 1.270
59 HZ3 LYS 6 HZ3 LYS 6 20.612 -3.548 2.910
60 H PHE 7 HN PHE 7 24.500 0.475 0.378
61 HA PHE 7 HA PHE 7 21.929 1.822 0.344
62 HB2 PHE 7 HB2 PHE 7 21.756 1.289 2.643
63 HB3 PHE 7 HB1 PHE 7 23.314 0.363 2.495
64 HD1 PHE 7 HD1 PHE 7 21.849 3.654 3.379
65 HD2 PHE 7 HD2 PHE 7 25.233 1.238 3.151
66 HE1 PHE 7 HE1 PHE 7 23.247 5.543 3.742
67 HE2 PHE 7 HE2 PHE 7 26.634 3.041 3.524
68 HZ PHE 7 HZ PHE 7 25.623 5.209 3.754
69 H PHE 8 HN PHE 8 25.322 1.802 0.263
70 HA PHE 8 HA PHE 8 25.352 4.587 0.665
71 HB2 PHE 8 HB2 PHE 8 27.358 3.928 1.453
72 HB3 PHE 8 HB1 PHE 8 27.216 2.321 0.662
73 HD1 PHE 8 HD1 PHE 8 28.872 5.560 0.571
74 HD2 PHE 8 HD2 PHE 8 27.733 2.206 -1.720
75 HE1 PHE 8 HE1 PHE 8 30.214 6.296 -1.311
76 HE2 PHE 8 HE2 PHE 8 28.988 2.905 -3.494
77 HZ PHE 8 HZ PHE 8 30.229 4.945 -3.320
78 H ARG 9 HN ARG 9 24.717 2.364 -1.644
79 HA ARG 9 HA ARG 9 25.408 4.246 -3.652
80 HB2 ARG 9 HB2 ARG 9 24.583 1.367 -3.822
81 HB3 ARG 9 HB1 ARG 9 24.219 2.366 -5.264
82 HG2 ARG 9 HG2 ARG 9 26.639 2.921 -5.477
83 HG3 ARG 9 HG1 ARG 9 26.984 1.946 -4.012
84 HD2 ARG 9 HD2 ARG 9 26.238 -0.153 -5.147
85 HD3 ARG 9 HD1 ARG 9 25.736 0.801 -6.621
86 HE ARG 9 HE ARG 9 28.499 1.397 -6.048
87 HH11 ARG 9 HH11 ARG 9 26.479 -1.363 -7.214
88 HH12 ARG 9 HH12 ARG 9 27.754 -2.073 -8.147
89 HH21 ARG 9 HH21 ARG 9 30.185 0.390 -7.333
90 HH22 ARG 9 HH22 ARG 9 29.873 -1.068 -8.213
91 H ASP 10 HN ASP 10 22.969 3.783 -1.637
92 HA ASP 10 HA ASP 10 20.886 4.204 -3.527
93 HB2 ASP 10 HB2 ASP 10 21.255 3.748 -0.597
94 HB3 ASP 10 HB1 ASP 10 19.724 4.518 -1.141
95 H PHE 11 HN PHE 11 22.591 5.511 -0.987
96 HA PHE 11 HA PHE 11 20.961 7.918 -1.538
97 HB2 PHE 11 HB2 PHE 11 22.247 7.001 0.970
98 HB3 PHE 11 HB1 PHE 11 21.185 8.492 0.900
99 HD1 PHE 11 HD1 PHE 11 21.603 5.405 1.886
100 HD2 PHE 11 HD2 PHE 11 18.601 7.628 -0.067
101 HE1 PHE 11 HE1 PHE 11 20.125 3.761 2.448
102 HE2 PHE 11 HE2 PHE 11 16.976 5.917 0.577
103 HZ PHE 11 HZ PHE 11 17.693 3.946 1.878
104 H ILE 12 HN ILE 12 24.097 6.812 -0.752
105 HA ILE 12 HA ILE 12 24.931 9.223 0.210
106 HB ILE 12 HB ILE 12 26.258 6.801 -0.708
107 HG12 ILE 12 HG12 ILE 12 26.226 6.071 1.371
108 HG13 ILE 12 HG11 ILE 12 26.633 7.634 2.135
109 HG21 ILE 12 HG21 ILE 12 27.736 9.378 0.150
110 HG22 ILE 12 HG22 ILE 12 28.064 8.279 -1.254
111 HG23 ILE 12 HG23 ILE 12 28.465 7.753 0.423
112 HD11 ILE 12 HD11 ILE 12 24.018 6.316 1.349
113 HD12 ILE 12 HD12 ILE 12 24.077 8.124 1.582
114 HD13 ILE 12 HD13 ILE 12 24.512 7.058 2.931
115 H LEU 13 HN LEU 13 25.137 7.844 -2.812
116 HA LEU 13 HA LEU 13 26.771 9.700 -4.138
117 HB2 LEU 13 HB2 LEU 13 24.360 8.316 -5.354
118 HB3 LEU 13 HB1 LEU 13 25.935 8.687 -6.156
119 HG LEU 13 HG LEU 13 25.218 6.556 -4.108
120 HD11 LEU 13 HD11 LEU 13 25.887 4.965 -5.947
121 HD12 LEU 13 HD12 LEU 13 26.115 6.377 -7.046
122 HD13 LEU 13 HD13 LEU 13 24.485 6.031 -6.338
123 HD21 LEU 13 HD21 LEU 13 27.386 6.920 -3.295
124 HD22 LEU 13 HD22 LEU 13 28.059 7.424 -4.904
125 HD23 LEU 13 HD23 LEU 13 27.711 5.684 -4.570
126 H GLN 14 HN GLN 14 23.422 9.666 -3.231
127 HA GLN 14 HA GLN 14 22.731 11.992 -4.892
128 HB2 GLN 14 HB2 GLN 14 21.061 9.867 -3.421
129 HB3 GLN 14 HB1 GLN 14 20.314 11.322 -4.209
130 HG2 GLN 14 HG2 GLN 14 21.414 10.546 -6.431
131 HG3 GLN 14 HG1 GLN 14 21.907 9.029 -5.569
132 HE21 GLN 14 HE21 GLN 14 20.344 8.551 -7.709
133 HE22 GLN 14 HE22 GLN 14 18.708 8.179 -7.278
134 H ARG 15 HN ARG 15 23.962 11.666 -1.688
135 HA ARG 15 HA ARG 15 22.064 13.361 -0.308
136 HB2 ARG 15 HB2 ARG 15 25.024 12.710 0.379
137 HB3 ARG 15 HB1 ARG 15 23.941 13.690 1.438
138 HG2 ARG 15 HG2 ARG 15 22.429 11.766 1.736
139 HG3 ARG 15 HG1 ARG 15 23.386 10.829 0.566
140 HD2 ARG 15 HD2 ARG 15 24.008 9.988 2.818
141 HD3 ARG 15 HD1 ARG 15 25.407 10.973 2.181
142 HE ARG 15 HE ARG 15 23.677 12.755 3.667
143 HH11 ARG 15 HH11 ARG 15 25.886 9.960 4.277
144 HH12 ARG 15 HH12 ARG 15 26.282 10.458 5.887
145 HH21 ARG 15 HH21 ARG 15 24.251 13.376 5.851
146 HH22 ARG 15 HH22 ARG 15 25.346 12.413 6.786
147 H LYS 16 HN LYS 16 25.286 13.733 -1.791
148 HA LYS 16 HA LYS 16 24.906 16.655 -1.828
149 HB2 LYS 16 HB2 LYS 16 27.340 16.867 -2.163
150 HB3 LYS 16 HB1 LYS 16 26.925 15.985 -0.662
151 HG2 LYS 16 HG2 LYS 16 27.407 13.786 -1.818
152 HG3 LYS 16 HG1 LYS 16 27.868 14.689 -3.307
153 HD2 LYS 16 HD2 LYS 16 29.641 15.893 -2.012
154 HD3 LYS 16 HD1 LYS 16 29.176 14.969 -0.543
155 HE2 LYS 16 HE2 LYS 16 29.864 12.813 -1.664
156 HE3 LYS 16 HE1 LYS 16 30.311 13.733 -3.160
157 HZ1 LYS 16 HZ1 LYS 16 31.504 14.641 -0.656
158 HZ2 LYS 16 HZ2 LYS 16 32.168 14.497 -2.212
159 HZ3 LYS 16 HZ3 LYS 16 32.007 13.123 -1.227
160 H LYS 17 HN LYS 17 23.757 14.508 -3.689
161 HA LYS 17 HA LYS 17 23.173 14.248 -5.742
162 HB2 LYS 17 HB2 LYS 17 24.229 17.099 -6.259
163 HB3 LYS 17 HB1 LYS 17 23.164 16.175 -7.381
164 HG2 LYS 17 HG2 LYS 17 21.374 16.078 -5.621
165 HG3 LYS 17 HG1 LYS 17 22.432 16.994 -4.484
166 HD2 LYS 17 HD2 LYS 17 22.454 18.930 -6.063
167 HD3 LYS 17 HD1 LYS 17 21.401 18.025 -7.206
168 HE2 LYS 17 HE2 LYS 17 19.561 17.973 -5.470
169 HE3 LYS 17 HE1 LYS 17 20.628 18.883 -4.321
170 HZ1 LYS 17 HZ1 LYS 17 19.421 19.794 -6.869
171 HZ2 LYS 17 HZ2 LYS 17 20.749 20.594 -6.178
172 HZ3 LYS 17 HZ3 LYS 17 19.294 20.461 -5.313
Start of MODEL 10
1 H1 GLU 1 HT1 GLU 1 29.542 -10.698 -1.919
2 H2 GLU 1 HT2 GLU 1 28.753 -9.451 -2.758
3 H3 GLU 1 HT3 GLU 1 28.722 -9.485 -1.060
4 HA GLU 1 HA GLU 1 31.366 -9.562 -1.722
5 HB2 GLU 1 HB2 GLU 1 29.782 -7.554 -3.460
6 HB3 GLU 1 HB1 GLU 1 31.515 -7.278 -3.041
7 HG2 GLU 1 HG2 GLU 1 32.152 -9.456 -4.155
8 HG3 GLU 1 HG1 GLU 1 30.420 -9.746 -4.583
9 H MET 2 HN MET 2 28.898 -6.841 -1.442
10 HA MET 2 HA MET 2 30.063 -6.243 1.206
11 HB2 MET 2 HB2 MET 2 28.906 -4.096 -0.682
12 HB3 MET 2 HB1 MET 2 29.715 -3.825 0.906
13 HG2 MET 2 HG2 MET 2 31.500 -3.301 -0.439
14 HG3 MET 2 HG1 MET 2 31.793 -5.064 -0.349
15 HE1 MET 2 HE1 MET 2 33.353 -4.988 -2.357
16 HE2 MET 2 HE2 MET 2 33.123 -3.207 -2.450
17 HE3 MET 2 HE3 MET 2 32.990 -4.210 -3.936
18 H ARG 3 HN ARG 3 28.414 -4.602 2.334
19 HA ARG 3 HA ARG 3 25.785 -5.893 2.181
20 HB2 ARG 3 HB2 ARG 3 27.487 -6.590 4.073
21 HB3 ARG 3 HB1 ARG 3 27.236 -4.940 4.715
22 HG2 ARG 3 HG2 ARG 3 24.703 -6.527 4.205
23 HG3 ARG 3 HG1 ARG 3 25.803 -7.224 5.441
24 HD2 ARG 3 HD2 ARG 3 25.773 -5.072 6.742
25 HD3 ARG 3 HD1 ARG 3 24.716 -4.303 5.473
26 HE ARG 3 HE ARG 3 23.444 -6.741 6.368
27 HH11 ARG 3 HH11 ARG 3 24.265 -3.464 7.646
28 HH12 ARG 3 HH12 ARG 3 22.947 -3.432 8.770
29 HH21 ARG 3 HH21 ARG 3 21.684 -6.641 7.902
30 HH22 ARG 3 HH22 ARG 3 21.470 -5.253 8.916
31 H LEU 4 HN LEU 4 27.697 -3.015 2.865
32 HA LEU 4 HA LEU 4 25.324 -1.390 3.243
33 HB2 LEU 4 HB2 LEU 4 26.544 0.080 4.569
34 HB3 LEU 4 HB1 LEU 4 27.123 -1.559 5.032
35 HG LEU 4 HG LEU 4 29.015 -0.075 5.046
36 HD11 LEU 4 HD11 LEU 4 29.387 -2.406 4.057
37 HD12 LEU 4 HD12 LEU 4 30.642 -1.171 3.655
38 HD13 LEU 4 HD13 LEU 4 29.407 -1.635 2.422
39 HD21 LEU 4 HD21 LEU 4 27.763 1.451 3.086
40 HD22 LEU 4 HD22 LEU 4 29.119 0.737 2.152
41 HD23 LEU 4 HD23 LEU 4 29.460 1.685 3.652
42 H SER 5 HN SER 5 27.503 -2.133 0.806
43 HA SER 5 HA SER 5 27.866 0.536 -0.069
44 HB2 SER 5 HB2 SER 5 28.581 -2.050 -1.552
45 HB3 SER 5 HB1 SER 5 28.955 -0.386 -2.146
46 HG SER 5 HG SER 5 29.726 -0.676 0.406
47 H LYS 6 HN LYS 6 25.274 -1.574 -0.310
48 HA LYS 6 HA LYS 6 24.398 -0.437 -2.853
49 HB2 LYS 6 HB2 LYS 6 22.689 -1.964 -2.812
50 HB3 LYS 6 HB1 LYS 6 23.952 -2.830 -1.885
51 HG2 LYS 6 HG2 LYS 6 21.777 -1.128 -0.500
52 HG3 LYS 6 HG1 LYS 6 21.486 -2.847 -0.937
53 HD2 LYS 6 HD2 LYS 6 23.284 -3.595 0.600
54 HD3 LYS 6 HD1 LYS 6 23.835 -1.901 0.890
55 HE2 LYS 6 HE2 LYS 6 22.560 -2.454 2.847
56 HE3 LYS 6 HE1 LYS 6 21.423 -1.455 1.860
57 HZ1 LYS 6 HZ1 LYS 6 20.577 -3.606 2.906
58 HZ2 LYS 6 HZ2 LYS 6 21.411 -4.418 1.668
59 HZ3 LYS 6 HZ3 LYS 6 20.186 -3.308 1.280
60 H PHE 7 HN PHE 7 24.420 0.488 0.405
61 HA PHE 7 HA PHE 7 21.842 1.821 0.348
62 HB2 PHE 7 HB2 PHE 7 21.650 1.280 2.641
63 HB3 PHE 7 HB1 PHE 7 23.214 0.362 2.504
64 HD1 PHE 7 HD1 PHE 7 21.726 3.646 3.376
65 HD2 PHE 7 HD2 PHE 7 25.123 1.239 3.191
66 HE1 PHE 7 HE1 PHE 7 23.113 5.538 3.763
67 HE2 PHE 7 HE2 PHE 7 26.510 3.052 3.587
68 HZ PHE 7 HZ PHE 7 25.488 5.213 3.809
69 H PHE 8 HN PHE 8 25.237 1.816 0.305
70 HA PHE 8 HA PHE 8 25.249 4.601 0.714
71 HB2 PHE 8 HB2 PHE 8 27.245 3.948 1.524
72 HB3 PHE 8 HB1 PHE 8 27.120 2.342 0.730
73 HD1 PHE 8 HD1 PHE 8 28.787 5.570 0.687
74 HD2 PHE 8 HD2 PHE 8 27.652 2.255 -1.663
75 HE1 PHE 8 HE1 PHE 8 30.156 6.320 -1.169
76 HE2 PHE 8 HE2 PHE 8 28.929 2.970 -3.412
77 HZ PHE 8 HZ PHE 8 30.183 4.996 -3.198
78 H ARG 9 HN ARG 9 24.648 2.381 -1.609
79 HA ARG 9 HA ARG 9 25.353 4.267 -3.603
80 HB2 ARG 9 HB2 ARG 9 24.528 1.389 -3.799
81 HB3 ARG 9 HB1 ARG 9 24.194 2.398 -5.242
82 HG2 ARG 9 HG2 ARG 9 26.608 2.937 -5.430
83 HG3 ARG 9 HG1 ARG 9 26.939 1.993 -3.942
84 HD2 ARG 9 HD2 ARG 9 26.215 -0.131 -5.049
85 HD3 ARG 9 HD1 ARG 9 25.750 0.796 -6.553
86 HE ARG 9 HE ARG 9 28.481 1.434 -5.963
87 HH11 ARG 9 HH11 ARG 9 26.550 -1.450 -6.959
88 HH12 ARG 9 HH12 ARG 9 27.862 -2.200 -7.806
89 HH21 ARG 9 HH21 ARG 9 30.219 0.374 -7.126
90 HH22 ARG 9 HH22 ARG 9 29.961 -1.154 -7.899
91 H ASP 10 HN ASP 10 22.897 3.794 -1.613
92 HA ASP 10 HA ASP 10 20.831 4.212 -3.523
93 HB2 ASP 10 HB2 ASP 10 21.172 3.760 -0.588
94 HB3 ASP 10 HB1 ASP 10 19.646 4.527 -1.149
95 H PHE 11 HN PHE 11 22.513 5.522 -0.969
96 HA PHE 11 HA PHE 11 20.890 7.928 -1.539
97 HB2 PHE 11 HB2 PHE 11 22.146 7.017 0.984
98 HB3 PHE 11 HB1 PHE 11 21.085 8.505 0.899
99 HD1 PHE 11 HD1 PHE 11 21.495 5.422 1.900
100 HD2 PHE 11 HD2 PHE 11 18.516 7.637 -0.096
101 HE1 PHE 11 HE1 PHE 11 20.009 3.777 2.449
102 HE2 PHE 11 HE2 PHE 11 16.883 5.927 0.533
103 HZ PHE 11 HZ PHE 11 17.586 3.960 1.849
104 H ILE 12 HN ILE 12 24.015 6.821 -0.712
105 HA ILE 12 HA ILE 12 24.838 9.235 0.253
106 HB ILE 12 HB ILE 12 26.178 6.810 -0.638
107 HG12 ILE 12 HG12 ILE 12 26.119 6.082 1.442
108 HG13 ILE 12 HG11 ILE 12 26.511 7.647 2.209
109 HG21 ILE 12 HG21 ILE 12 28.366 7.770 0.530
110 HG22 ILE 12 HG22 ILE 12 27.643 9.388 0.234
111 HG23 ILE 12 HG23 ILE 12 27.991 8.281 -1.160
112 HD11 ILE 12 HD11 ILE 12 23.959 8.122 1.618
113 HD12 ILE 12 HD12 ILE 12 24.386 7.074 2.981
114 HD13 ILE 12 HD13 ILE 12 23.911 6.322 1.383
115 H LEU 13 HN LEU 13 25.090 7.844 -2.762
116 HA LEU 13 HA LEU 13 26.744 9.688 -4.072
117 HB2 LEU 13 HB2 LEU 13 24.332 8.321 -5.305
118 HB3 LEU 13 HB1 LEU 13 25.911 8.692 -6.101
119 HG LEU 13 HG LEU 13 25.179 6.557 -4.068
120 HD11 LEU 13 HD11 LEU 13 25.858 4.972 -5.904
121 HD12 LEU 13 HD12 LEU 13 26.101 6.383 -6.997
122 HD13 LEU 13 HD13 LEU 13 24.463 6.042 -6.304
123 HD21 LEU 13 HD21 LEU 13 27.672 5.680 -4.503
124 HD22 LEU 13 HD22 LEU 13 27.340 6.914 -3.232
125 HD23 LEU 13 HD23 LEU 13 28.029 7.421 -4.834
126 H GLN 14 HN GLN 14 23.372 9.652 -3.234
127 HA GLN 14 HA GLN 14 22.705 11.970 -4.900
128 HB2 GLN 14 HB2 GLN 14 21.040 9.886 -3.371
129 HB3 GLN 14 HB1 GLN 14 20.286 11.345 -4.141
130 HG2 GLN 14 HG2 GLN 14 21.300 10.560 -6.390
131 HG3 GLN 14 HG1 GLN 14 21.839 9.049 -5.544
132 HE21 GLN 14 HE21 GLN 14 20.209 8.552 -7.627
133 HE22 GLN 14 HE22 GLN 14 18.594 8.164 -7.140
134 H ARG 15 HN ARG 15 23.924 11.621 -1.684
135 HA ARG 15 HA ARG 15 22.148 13.514 -0.375
136 HB2 ARG 15 HB2 ARG 15 25.021 12.609 0.403
137 HB3 ARG 15 HB1 ARG 15 23.984 13.678 1.420
138 HG2 ARG 15 HG2 ARG 15 22.329 11.872 1.700
139 HG3 ARG 15 HG1 ARG 15 23.243 10.851 0.566
140 HD2 ARG 15 HD2 ARG 15 23.764 9.998 2.836
141 HD3 ARG 15 HD1 ARG 15 25.236 10.888 2.229
142 HE ARG 15 HE ARG 15 23.586 12.791 3.649
143 HH11 ARG 15 HH11 ARG 15 25.580 9.860 4.347
144 HH12 ARG 15 HH12 ARG 15 25.964 10.350 5.963
145 HH21 ARG 15 HH21 ARG 15 24.140 13.399 5.839
146 HH22 ARG 15 HH22 ARG 15 25.139 12.376 6.816
147 H LYS 16 HN LYS 16 25.351 13.441 -1.886
148 HA LYS 16 HA LYS 16 25.558 16.371 -1.844
149 HB2 LYS 16 HB2 LYS 16 27.587 14.224 -2.675
150 HB3 LYS 16 HB1 LYS 16 27.914 16.002 -2.658
151 HG2 LYS 16 HG2 LYS 16 27.541 16.104 -0.219
152 HG3 LYS 16 HG1 LYS 16 27.043 14.381 -0.183
153 HD2 LYS 16 HD2 LYS 16 29.260 14.384 0.621
154 HD3 LYS 16 HD1 LYS 16 29.376 13.794 -1.065
155 HE2 LYS 16 HE2 LYS 16 30.227 16.038 -1.822
156 HE3 LYS 16 HE1 LYS 16 30.024 16.695 -0.146
157 HZ1 LYS 16 HZ1 LYS 16 32.222 15.436 -1.218
158 HZ2 LYS 16 HZ2 LYS 16 31.561 14.301 -0.143
159 HZ3 LYS 16 HZ3 LYS 16 31.960 15.857 0.405
160 H LYS 17 HN LYS 17 24.001 14.262 -3.691
161 HA LYS 17 HA LYS 17 23.077 14.239 -5.623
162 HB2 LYS 17 HB2 LYS 17 24.337 16.982 -6.245
163 HB3 LYS 17 HB1 LYS 17 23.042 16.189 -7.213
164 HG2 LYS 17 HG2 LYS 17 21.501 16.245 -5.236
165 HG3 LYS 17 HG1 LYS 17 22.794 17.012 -4.237
166 HD2 LYS 17 HD2 LYS 17 22.825 18.970 -5.788
167 HD3 LYS 17 HD1 LYS 17 21.537 18.214 -6.789
168 HE2 LYS 17 HE2 LYS 17 19.944 18.327 -4.827
169 HE3 LYS 17 HE1 LYS 17 21.248 19.082 -3.818
170 HZ1 LYS 17 HZ1 LYS 17 19.705 20.680 -4.780
171 HZ2 LYS 17 HZ2 LYS 17 20.157 20.214 -6.349
172 HZ3 LYS 17 HZ3 LYS 17 21.296 20.933 -5.317
Start of MODEL 11
1 H1 GLU 1 HT1 GLU 1 31.520 -10.238 -2.434
2 H2 GLU 1 HT2 GLU 1 31.842 -8.610 -2.075
3 H3 GLU 1 HT3 GLU 1 30.986 -9.014 -3.485
4 HA GLU 1 HA GLU 1 29.109 -8.842 -2.430
5 HB2 GLU 1 HB2 GLU 1 30.361 -11.021 -0.626
6 HB3 GLU 1 HB1 GLU 1 28.676 -10.433 -0.360
7 HG2 GLU 1 HG2 GLU 1 28.032 -11.157 -2.696
8 HG3 GLU 1 HG1 GLU 1 29.716 -11.748 -2.979
9 H MET 2 HN MET 2 28.440 -7.008 -1.375
10 HA MET 2 HA MET 2 29.844 -6.297 1.125
11 HB2 MET 2 HB2 MET 2 28.474 -4.242 -0.717
12 HB3 MET 2 HB1 MET 2 29.557 -3.917 0.686
13 HG2 MET 2 HG2 MET 2 31.075 -3.534 -0.999
14 HG3 MET 2 HG1 MET 2 31.353 -5.293 -0.815
15 HE1 MET 2 HE1 MET 2 31.915 -4.678 -4.622
16 HE2 MET 2 HE2 MET 2 32.563 -5.338 -3.080
17 HE3 MET 2 HE3 MET 2 32.285 -3.569 -3.255
18 H ARG 3 HN ARG 3 28.188 -4.373 2.126
19 HA ARG 3 HA ARG 3 25.557 -5.614 2.314
20 HB2 ARG 3 HB2 ARG 3 27.360 -6.498 4.050
21 HB3 ARG 3 HB1 ARG 3 27.279 -4.852 4.747
22 HG2 ARG 3 HG2 ARG 3 24.590 -6.186 4.429
23 HG3 ARG 3 HG1 ARG 3 25.727 -7.080 5.495
24 HD2 ARG 3 HD2 ARG 3 26.031 -5.097 6.960
25 HD3 ARG 3 HD1 ARG 3 25.050 -4.058 5.831
26 HE ARG 3 HE ARG 3 23.466 -6.358 6.631
27 HH11 ARG 3 HH11 ARG 3 24.806 -3.310 8.030
28 HH12 ARG 3 HH12 ARG 3 23.556 -3.155 9.220
29 HH21 ARG 3 HH21 ARG 3 21.805 -6.096 8.257
30 HH22 ARG 3 HH22 ARG 3 21.839 -4.752 9.349
31 H LEU 4 HN LEU 4 27.762 -2.948 2.748
32 HA LEU 4 HA LEU 4 25.525 -1.165 3.219
33 HB2 LEU 4 HB2 LEU 4 26.780 0.186 4.576
34 HB3 LEU 4 HB1 LEU 4 27.281 -1.485 5.005
35 HG LEU 4 HG LEU 4 29.251 -0.105 5.071
36 HD11 LEU 4 HD11 LEU 4 29.457 -2.431 3.969
37 HD12 LEU 4 HD12 LEU 4 30.813 -1.272 3.674
38 HD13 LEU 4 HD13 LEU 4 29.584 -1.571 2.384
39 HD21 LEU 4 HD21 LEU 4 29.372 0.802 2.197
40 HD22 LEU 4 HD22 LEU 4 29.793 1.674 3.720
41 HD23 LEU 4 HD23 LEU 4 28.071 1.562 3.184
42 H SER 5 HN SER 5 27.734 -2.039 0.809
43 HA SER 5 HA SER 5 28.165 0.641 -0.062
44 HB2 SER 5 HB2 SER 5 28.918 -1.934 -1.549
45 HB3 SER 5 HB1 SER 5 29.403 -0.263 -2.035
46 HG SER 5 HG SER 5 30.147 -0.294 0.345
47 H LYS 6 HN LYS 6 25.628 -1.378 -0.388
48 HA LYS 6 HA LYS 6 24.774 -0.325 -2.983
49 HB2 LYS 6 HB2 LYS 6 22.645 -1.729 -2.108
50 HB3 LYS 6 HB1 LYS 6 24.061 -2.483 -2.921
51 HG2 LYS 6 HG2 LYS 6 23.891 -3.825 -1.010
52 HG3 LYS 6 HG1 LYS 6 25.102 -2.608 -0.553
53 HD2 LYS 6 HD2 LYS 6 23.995 -1.879 1.186
54 HD3 LYS 6 HD1 LYS 6 22.454 -1.675 0.256
55 HE2 LYS 6 HE2 LYS 6 23.413 -4.405 1.354
56 HE3 LYS 6 HE1 LYS 6 22.411 -3.250 2.316
57 HZ1 LYS 6 HZ1 LYS 6 21.409 -3.875 -0.359
58 HZ2 LYS 6 HZ2 LYS 6 20.588 -3.733 1.121
59 HZ3 LYS 6 HZ3 LYS 6 21.414 -5.168 0.743
60 H PHE 7 HN PHE 7 24.709 0.493 0.289
61 HA PHE 7 HA PHE 7 22.090 1.735 0.232
62 HB2 PHE 7 HB2 PHE 7 21.877 1.123 2.513
63 HB3 PHE 7 HB1 PHE 7 23.485 0.287 2.402
64 HD1 PHE 7 HD1 PHE 7 21.821 3.485 3.297
65 HD2 PHE 7 HD2 PHE 7 25.332 1.266 3.124
66 HE1 PHE 7 HE1 PHE 7 23.108 5.441 3.731
67 HE2 PHE 7 HE2 PHE 7 26.631 3.125 3.565
68 HZ PHE 7 HZ PHE 7 25.503 5.240 3.811
69 H PHE 8 HN PHE 8 25.504 1.854 0.245
70 HA PHE 8 HA PHE 8 25.400 4.604 0.690
71 HB2 PHE 8 HB2 PHE 8 27.406 4.047 1.546
72 HB3 PHE 8 HB1 PHE 8 27.374 2.451 0.729
73 HD1 PHE 8 HD1 PHE 8 28.869 5.761 0.744
74 HD2 PHE 8 HD2 PHE 8 27.979 2.390 -1.625
75 HE1 PHE 8 HE1 PHE 8 30.247 6.582 -1.073
76 HE2 PHE 8 HE2 PHE 8 29.264 3.168 -3.340
77 HZ PHE 8 HZ PHE 8 30.405 5.256 -3.093
78 H ARG 9 HN ARG 9 24.972 2.383 -1.669
79 HA ARG 9 HA ARG 9 25.619 4.355 -3.616
80 HB2 ARG 9 HB2 ARG 9 24.941 1.444 -3.914
81 HB3 ARG 9 HB1 ARG 9 24.610 2.482 -5.337
82 HG2 ARG 9 HG2 ARG 9 27.005 3.131 -5.421
83 HG3 ARG 9 HG1 ARG 9 27.324 2.148 -3.956
84 HD2 ARG 9 HD2 ARG 9 26.703 0.036 -5.172
85 HD3 ARG 9 HD1 ARG 9 26.291 1.011 -6.661
86 HE ARG 9 HE ARG 9 28.972 1.687 -5.878
87 HH11 ARG 9 HH11 ARG 9 27.159 -1.156 -7.174
88 HH12 ARG 9 HH12 ARG 9 28.533 -1.826 -7.990
89 HH21 ARG 9 HH21 ARG 9 30.796 0.732 -7.003
90 HH22 ARG 9 HH22 ARG 9 30.614 -0.744 -7.890
91 H ASP 10 HN ASP 10 23.140 3.719 -1.696
92 HA ASP 10 HA ASP 10 21.106 4.085 -3.654
93 HB2 ASP 10 HB2 ASP 10 21.380 3.587 -0.724
94 HB3 ASP 10 HB1 ASP 10 19.854 4.336 -1.300
95 H PHE 11 HN PHE 11 22.678 5.390 -1.027
96 HA PHE 11 HA PHE 11 20.945 7.746 -1.610
97 HB2 PHE 11 HB2 PHE 11 22.185 6.861 0.932
98 HB3 PHE 11 HB1 PHE 11 21.070 8.311 0.840
99 HD1 PHE 11 HD1 PHE 11 21.573 5.222 1.785
100 HD2 PHE 11 HD2 PHE 11 18.555 7.374 -0.212
101 HE1 PHE 11 HE1 PHE 11 20.145 3.513 2.269
102 HE2 PHE 11 HE2 PHE 11 16.974 5.593 0.349
103 HZ PHE 11 HZ PHE 11 17.725 3.622 1.631
104 H ILE 12 HN ILE 12 24.097 6.796 -0.721
105 HA ILE 12 HA ILE 12 24.777 9.234 0.289
106 HB ILE 12 HB ILE 12 26.248 6.888 -0.611
107 HG12 ILE 12 HG12 ILE 12 26.168 6.124 1.453
108 HG13 ILE 12 HG11 ILE 12 26.492 7.688 2.254
109 HG21 ILE 12 HG21 ILE 12 28.366 7.934 0.614
110 HG22 ILE 12 HG22 ILE 12 27.573 9.519 0.327
111 HG23 ILE 12 HG23 ILE 12 28.000 8.452 -1.074
112 HD11 ILE 12 HD11 ILE 12 24.379 7.039 2.981
113 HD12 ILE 12 HD12 ILE 12 23.963 6.275 1.377
114 HD13 ILE 12 HD13 ILE 12 23.932 8.077 1.604
115 H LEU 13 HN LEU 13 25.154 7.900 -2.740
116 HA LEU 13 HA LEU 13 26.751 9.830 -3.992
117 HB2 LEU 13 HB2 LEU 13 24.421 8.367 -5.279
118 HB3 LEU 13 HB1 LEU 13 25.983 8.835 -6.055
119 HG LEU 13 HG LEU 13 25.346 6.631 -4.066
120 HD11 LEU 13 HD11 LEU 13 26.143 5.117 -5.910
121 HD12 LEU 13 HD12 LEU 13 26.334 6.558 -6.976
122 HD13 LEU 13 HD13 LEU 13 24.702 6.119 -6.324
123 HD21 LEU 13 HD21 LEU 13 27.890 5.898 -4.463
124 HD22 LEU 13 HD22 LEU 13 27.467 7.091 -3.179
125 HD23 LEU 13 HD23 LEU 13 28.159 7.662 -4.759
126 H GLN 14 HN GLN 14 23.356 9.620 -3.260
127 HA GLN 14 HA GLN 14 22.629 11.939 -4.894
128 HB2 GLN 14 HB2 GLN 14 21.034 9.757 -3.431
129 HB3 GLN 14 HB1 GLN 14 20.223 11.207 -4.157
130 HG2 GLN 14 HG2 GLN 14 21.325 10.523 -6.425
131 HG3 GLN 14 HG1 GLN 14 21.850 8.995 -5.604
132 HE21 GLN 14 HE21 GLN 14 20.518 7.566 -6.844
133 HE22 GLN 14 HE22 GLN 14 18.788 7.551 -6.744
134 H ARG 15 HN ARG 15 23.787 11.601 -1.646
135 HA ARG 15 HA ARG 15 21.916 13.439 -0.389
136 HB2 ARG 15 HB2 ARG 15 24.784 12.632 0.501
137 HB3 ARG 15 HB1 ARG 15 23.643 13.623 1.486
138 HG2 ARG 15 HG2 ARG 15 22.057 11.723 1.614
139 HG3 ARG 15 HG1 ARG 15 23.113 10.776 0.539
140 HD2 ARG 15 HD2 ARG 15 23.530 9.907 2.810
141 HD3 ARG 15 HD1 ARG 15 24.973 10.926 2.355
142 HE ARG 15 HE ARG 15 23.088 12.667 3.669
143 HH11 ARG 15 HH11 ARG 15 25.146 9.814 4.493
144 HH12 ARG 15 HH12 ARG 15 25.325 10.263 6.157
145 HH21 ARG 15 HH21 ARG 15 23.362 13.217 5.926
146 HH22 ARG 15 HH22 ARG 15 24.303 12.210 6.976
147 H LYS 16 HN LYS 16 25.175 13.458 -1.809
148 HA LYS 16 HA LYS 16 25.325 16.387 -1.737
149 HB2 LYS 16 HB2 LYS 16 27.339 14.292 -2.734
150 HB3 LYS 16 HB1 LYS 16 27.652 16.069 -2.640
151 HG2 LYS 16 HG2 LYS 16 27.298 15.991 -0.151
152 HG3 LYS 16 HG1 LYS 16 27.029 14.213 -0.257
153 HD2 LYS 16 HD2 LYS 16 29.316 13.912 -1.196
154 HD3 LYS 16 HD1 LYS 16 29.593 15.688 -1.115
155 HE2 LYS 16 HE2 LYS 16 29.388 15.604 1.406
156 HE3 LYS 16 HE1 LYS 16 29.112 13.815 1.319
157 HZ1 LYS 16 HZ1 LYS 16 31.355 14.133 1.781
158 HZ2 LYS 16 HZ2 LYS 16 31.554 15.348 0.610
159 HZ3 LYS 16 HZ3 LYS 16 31.313 13.737 0.129
160 H LYS 17 HN LYS 17 23.772 14.268 -3.612
161 HA LYS 17 HA LYS 17 22.821 14.257 -5.528
162 HB2 LYS 17 HB2 LYS 17 23.920 17.085 -6.080
163 HB3 LYS 17 HB1 LYS 17 22.639 16.258 -7.039
164 HG2 LYS 17 HG2 LYS 17 21.157 16.169 -5.016
165 HG3 LYS 17 HG1 LYS 17 22.438 16.972 -4.030
166 HD2 LYS 17 HD2 LYS 17 22.319 18.976 -5.515
167 HD3 LYS 17 HD1 LYS 17 21.043 18.185 -6.504
168 HE2 LYS 17 HE2 LYS 17 19.507 18.151 -4.493
169 HE3 LYS 17 HE1 LYS 17 20.799 18.945 -3.500
170 HZ1 LYS 17 HZ1 LYS 17 20.265 20.894 -4.334
171 HZ2 LYS 17 HZ2 LYS 17 18.874 20.175 -4.993
172 HZ3 LYS 17 HZ3 LYS 17 20.272 20.346 -5.942
Start of MODEL 12
1 H1 GLU 1 HT1 GLU 1 32.319 -9.584 -2.433
2 H2 GLU 1 HT2 GLU 1 32.733 -8.033 -1.879
3 H3 GLU 1 HT3 GLU 1 32.239 -8.256 -3.488
4 HA GLU 1 HA GLU 1 30.245 -7.681 -2.844
5 HB2 GLU 1 HB2 GLU 1 30.491 -10.442 -1.473
6 HB3 GLU 1 HB1 GLU 1 28.935 -9.530 -1.470
7 HG2 GLU 1 HG2 GLU 1 28.908 -9.532 -4.000
8 HG3 GLU 1 HG1 GLU 1 30.463 -10.450 -4.017
9 H MET 2 HN MET 2 29.329 -6.188 -1.454
10 HA MET 2 HA MET 2 30.268 -6.225 1.351
11 HB2 MET 2 HB2 MET 2 29.351 -3.767 -0.268
12 HB3 MET 2 HB1 MET 2 29.934 -3.744 1.430
13 HG2 MET 2 HG2 MET 2 32.187 -4.678 0.569
14 HG3 MET 2 HG1 MET 2 31.579 -4.427 -1.094
15 HE1 MET 2 HE1 MET 2 31.559 -2.336 2.389
16 HE2 MET 2 HE2 MET 2 32.977 -1.294 2.028
17 HE3 MET 2 HE3 MET 2 33.161 -3.081 2.051
18 H ARG 3 HN ARG 3 28.588 -4.705 2.643
19 HA ARG 3 HA ARG 3 26.037 -6.041 2.260
20 HB2 ARG 3 HB2 ARG 3 27.611 -6.498 4.303
21 HB3 ARG 3 HB1 ARG 3 27.165 -4.847 4.830
22 HG2 ARG 3 HG2 ARG 3 24.825 -6.661 4.185
23 HG3 ARG 3 HG1 ARG 3 25.860 -7.219 5.543
24 HD2 ARG 3 HD2 ARG 3 25.531 -5.062 6.760
25 HD3 ARG 3 HD1 ARG 3 24.592 -4.380 5.356
26 HE ARG 3 HE ARG 3 23.385 -6.883 6.232
27 HH11 ARG 3 HH11 ARG 3 23.750 -3.440 7.260
28 HH12 ARG 3 HH12 ARG 3 22.281 -3.423 8.178
29 HH21 ARG 3 HH21 ARG 3 21.412 -6.801 7.483
30 HH22 ARG 3 HH22 ARG 3 20.945 -5.349 8.302
31 H LEU 4 HN LEU 4 27.584 -3.004 2.981
32 HA LEU 4 HA LEU 4 25.070 -1.586 3.168
33 HB2 LEU 4 HB2 LEU 4 26.311 0.054 4.371
34 HB3 LEU 4 HB1 LEU 4 26.742 -1.573 5.002
35 HG LEU 4 HG LEU 4 28.692 -1.280 3.045
36 HD11 LEU 4 HD11 LEU 4 28.325 1.555 4.181
37 HD12 LEU 4 HD12 LEU 4 27.859 1.026 2.516
38 HD13 LEU 4 HD13 LEU 4 29.597 0.983 3.028
39 HD21 LEU 4 HD21 LEU 4 28.872 -0.410 5.984
40 HD22 LEU 4 HD22 LEU 4 30.259 -0.842 4.909
41 HD23 LEU 4 HD23 LEU 4 29.012 -2.092 5.323
42 H SER 5 HN SER 5 27.367 -2.230 0.784
43 HA SER 5 HA SER 5 27.737 0.402 -0.106
44 HB2 SER 5 HB2 SER 5 28.904 -0.433 -2.091
45 HB3 SER 5 HB1 SER 5 29.429 -1.400 -0.669
46 HG SER 5 HG SER 5 27.450 -2.134 -2.576
47 H LYS 6 HN LYS 6 25.108 -1.624 -0.314
48 HA LYS 6 HA LYS 6 24.184 -0.470 -2.847
49 HB2 LYS 6 HB2 LYS 6 22.426 -1.950 -2.738
50 HB3 LYS 6 HB1 LYS 6 23.717 -2.844 -1.878
51 HG2 LYS 6 HG2 LYS 6 21.625 -1.123 -0.383
52 HG3 LYS 6 HG1 LYS 6 21.306 -2.840 -0.806
53 HD2 LYS 6 HD2 LYS 6 23.217 -3.579 0.619
54 HD3 LYS 6 HD1 LYS 6 23.716 -1.879 0.933
55 HE2 LYS 6 HE2 LYS 6 22.537 -2.592 2.920
56 HE3 LYS 6 HE1 LYS 6 21.377 -1.520 2.043
57 HZ1 LYS 6 HZ1 LYS 6 20.017 -3.234 2.447
58 HZ2 LYS 6 HZ2 LYS 6 21.257 -4.390 2.558
59 HZ3 LYS 6 HZ3 LYS 6 20.700 -3.885 1.036
60 H PHE 7 HN PHE 7 24.255 0.456 0.419
61 HA PHE 7 HA PHE 7 21.707 1.846 0.383
62 HB2 PHE 7 HB2 PHE 7 21.526 1.283 2.674
63 HB3 PHE 7 HB1 PHE 7 23.077 0.346 2.513
64 HD1 PHE 7 HD1 PHE 7 21.656 3.658 3.407
65 HD2 PHE 7 HD2 PHE 7 24.989 1.177 3.205
66 HE1 PHE 7 HE1 PHE 7 23.084 5.515 3.801
67 HE2 PHE 7 HE2 PHE 7 26.430 2.942 3.627
68 HZ PHE 7 HZ PHE 7 25.453 5.140 3.845
69 H PHE 8 HN PHE 8 25.097 1.765 0.341
70 HA PHE 8 HA PHE 8 25.174 4.542 0.760
71 HB2 PHE 8 HB2 PHE 8 27.134 3.805 1.583
72 HB3 PHE 8 HB1 PHE 8 26.969 2.219 0.755
73 HD1 PHE 8 HD1 PHE 8 28.731 5.393 0.808
74 HD2 PHE 8 HD2 PHE 8 27.522 2.167 -1.626
75 HE1 PHE 8 HE1 PHE 8 30.166 6.121 -1.005
76 HE2 PHE 8 HE2 PHE 8 28.856 2.860 -3.332
77 HZ PHE 8 HZ PHE 8 30.185 4.826 -3.047
78 H ARG 9 HN ARG 9 24.534 2.348 -1.579
79 HA ARG 9 HA ARG 9 25.284 4.232 -3.561
80 HB2 ARG 9 HB2 ARG 9 24.395 1.376 -3.786
81 HB3 ARG 9 HB1 ARG 9 24.104 2.408 -5.224
82 HG2 ARG 9 HG2 ARG 9 26.519 2.877 -5.405
83 HG3 ARG 9 HG1 ARG 9 26.828 1.962 -3.896
84 HD2 ARG 9 HD2 ARG 9 26.026 -0.172 -4.981
85 HD3 ARG 9 HD1 ARG 9 25.689 0.751 -6.522
86 HE ARG 9 HE ARG 9 28.393 1.313 -5.834
87 HH11 ARG 9 HH11 ARG 9 26.455 -1.607 -6.709
88 HH12 ARG 9 HH12 ARG 9 27.797 -2.447 -7.411
89 HH21 ARG 9 HH21 ARG 9 30.170 0.127 -6.793
90 HH22 ARG 9 HH22 ARG 9 29.923 -1.453 -7.457
91 H ASP 10 HN ASP 10 22.818 3.791 -1.581
92 HA ASP 10 HA ASP 10 20.766 4.255 -3.490
93 HB2 ASP 10 HB2 ASP 10 21.094 3.791 -0.557
94 HB3 ASP 10 HB1 ASP 10 19.589 4.596 -1.115
95 H PHE 11 HN PHE 11 22.468 5.526 -0.927
96 HA PHE 11 HA PHE 11 20.901 7.970 -1.487
97 HB2 PHE 11 HB2 PHE 11 22.133 7.024 1.034
98 HB3 PHE 11 HB1 PHE 11 21.096 8.531 0.950
99 HD1 PHE 11 HD1 PHE 11 21.454 5.445 1.951
100 HD2 PHE 11 HD2 PHE 11 18.519 7.702 -0.062
101 HE1 PHE 11 HE1 PHE 11 19.940 3.820 2.490
102 HE2 PHE 11 HE2 PHE 11 16.859 6.017 0.556
103 HZ PHE 11 HZ PHE 11 17.525 4.039 1.875
104 H ILE 12 HN ILE 12 24.006 6.788 -0.688
105 HA ILE 12 HA ILE 12 24.872 9.182 0.305
106 HB ILE 12 HB ILE 12 26.161 6.734 -0.601
107 HG12 ILE 12 HG12 ILE 12 26.094 6.002 1.477
108 HG13 ILE 12 HG11 ILE 12 26.519 7.557 2.246
109 HG21 ILE 12 HG21 ILE 12 27.685 9.274 0.277
110 HG22 ILE 12 HG22 ILE 12 28.000 8.173 -1.127
111 HG23 ILE 12 HG23 ILE 12 28.373 7.632 0.552
112 HD11 ILE 12 HD11 ILE 12 24.389 7.020 3.024
113 HD12 ILE 12 HD12 ILE 12 23.891 6.287 1.429
114 HD13 ILE 12 HD13 ILE 12 23.977 8.085 1.657
115 H LEU 13 HN LEU 13 25.072 7.817 -2.723
116 HA LEU 13 HA LEU 13 26.744 9.675 -4.017
117 HB2 LEU 13 HB2 LEU 13 24.365 8.312 -5.297
118 HB3 LEU 13 HB1 LEU 13 25.975 8.654 -6.041
119 HG LEU 13 HG LEU 13 25.153 6.540 -4.014
120 HD11 LEU 13 HD11 LEU 13 24.471 6.024 -6.262
121 HD12 LEU 13 HD12 LEU 13 25.843 4.935 -5.831
122 HD13 LEU 13 HD13 LEU 13 26.123 6.340 -6.926
123 HD21 LEU 13 HD21 LEU 13 27.638 5.617 -4.402
124 HD22 LEU 13 HD22 LEU 13 27.309 6.867 -3.146
125 HD23 LEU 13 HD23 LEU 13 28.029 7.349 -4.741
126 H GLN 14 HN GLN 14 23.410 9.652 -3.105
127 HA GLN 14 HA GLN 14 22.720 11.986 -4.758
128 HB2 GLN 14 HB2 GLN 14 21.055 9.860 -3.284
129 HB3 GLN 14 HB1 GLN 14 20.305 11.335 -4.027
130 HG2 GLN 14 HG2 GLN 14 21.346 10.606 -6.287
131 HG3 GLN 14 HG1 GLN 14 21.873 9.075 -5.470
132 HE21 GLN 14 HE21 GLN 14 20.523 7.607 -6.601
133 HE22 GLN 14 HE22 GLN 14 18.794 7.616 -6.506
134 H ARG 15 HN ARG 15 24.008 11.552 -1.611
135 HA ARG 15 HA ARG 15 22.315 13.506 -0.266
136 HB2 ARG 15 HB2 ARG 15 25.168 12.480 0.457
137 HB3 ARG 15 HB1 ARG 15 24.211 13.614 1.485
138 HG2 ARG 15 HG2 ARG 15 22.485 11.900 1.858
139 HG3 ARG 15 HG1 ARG 15 23.281 10.817 0.692
140 HD2 ARG 15 HD2 ARG 15 23.839 9.941 2.931
141 HD3 ARG 15 HD1 ARG 15 25.340 10.733 2.270
142 HE ARG 15 HE ARG 15 23.886 12.734 3.759
143 HH11 ARG 15 HH11 ARG 15 25.667 9.650 4.361
144 HH12 ARG 15 HH12 ARG 15 26.139 10.084 5.971
145 HH21 ARG 15 HH21 ARG 15 24.549 13.266 5.943
146 HH22 ARG 15 HH22 ARG 15 25.496 12.155 6.875
147 H LYS 16 HN LYS 16 25.482 13.222 -1.796
148 HA LYS 16 HA LYS 16 25.451 16.116 -2.382
149 HB2 LYS 16 HB2 LYS 16 27.767 14.103 -2.156
150 HB3 LYS 16 HB1 LYS 16 27.955 15.766 -2.840
151 HG2 LYS 16 HG2 LYS 16 27.172 16.761 -0.696
152 HG3 LYS 16 HG1 LYS 16 26.943 15.119 0.006
153 HD2 LYS 16 HD2 LYS 16 29.360 14.641 -0.287
154 HD3 LYS 16 HD1 LYS 16 29.610 16.272 -1.005
155 HE2 LYS 16 HE2 LYS 16 28.912 17.343 1.184
156 HE3 LYS 16 HE1 LYS 16 28.665 15.697 1.901
157 HZ1 LYS 16 HZ1 LYS 16 31.250 16.531 0.710
158 HZ2 LYS 16 HZ2 LYS 16 30.926 15.262 1.790
159 HZ3 LYS 16 HZ3 LYS 16 30.841 16.873 2.322
160 H LYS 17 HN LYS 17 23.928 15.732 -3.953
161 HA LYS 17 HA LYS 17 24.002 13.964 -6.068
162 HB2 LYS 17 HB2 LYS 17 22.996 16.891 -6.145
163 HB3 LYS 17 HB1 LYS 17 22.475 15.557 -7.243
164 HG2 LYS 17 HG2 LYS 17 21.507 14.323 -5.274
165 HG3 LYS 17 HG1 LYS 17 22.023 15.664 -4.184
166 HD2 LYS 17 HD2 LYS 17 20.543 17.258 -5.461
167 HD3 LYS 17 HD1 LYS 17 20.021 15.911 -6.536
168 HE2 LYS 17 HE2 LYS 17 19.010 14.713 -4.554
169 HE3 LYS 17 HE1 LYS 17 19.548 16.060 -3.468
170 HZ1 LYS 17 HZ1 LYS 17 17.680 16.309 -5.776
171 HZ2 LYS 17 HZ2 LYS 17 18.170 17.563 -4.741
172 HZ3 LYS 17 HZ3 LYS 17 17.253 16.270 -4.132
Start of MODEL 13
1 H1 GLU 1 HT1 GLU 1 32.971 -8.286 -1.533
2 H2 GLU 1 HT2 GLU 1 32.544 -9.323 -2.807
3 H3 GLU 1 HT3 GLU 1 32.814 -9.955 -1.254
4 HA GLU 1 HA GLU 1 30.514 -8.576 -2.350
5 HB2 GLU 1 HB2 GLU 1 30.994 -10.806 -0.263
6 HB3 GLU 1 HB1 GLU 1 29.356 -10.094 -0.520
7 HG2 GLU 1 HG2 GLU 1 29.410 -10.807 -2.949
8 HG3 GLU 1 HG1 GLU 1 31.047 -11.532 -2.699
9 H MET 2 HN MET 2 29.272 -6.987 -1.340
10 HA MET 2 HA MET 2 30.205 -6.095 1.318
11 HB2 MET 2 HB2 MET 2 28.896 -4.243 -0.767
12 HB3 MET 2 HB1 MET 2 29.675 -3.768 0.785
13 HG2 MET 2 HG2 MET 2 31.378 -3.183 -0.647
14 HG3 MET 2 HG1 MET 2 31.870 -4.876 -0.335
15 HE1 MET 2 HE1 MET 2 33.012 -3.150 -2.638
16 HE2 MET 2 HE2 MET 2 33.020 -4.326 -3.999
17 HE3 MET 2 HE3 MET 2 33.443 -4.871 -2.338
18 H ARG 3 HN ARG 3 28.302 -4.472 2.142
19 HA ARG 3 HA ARG 3 25.785 -5.948 1.954
20 HB2 ARG 3 HB2 ARG 3 27.378 -6.680 3.904
21 HB3 ARG 3 HB1 ARG 3 27.163 -5.025 4.549
22 HG2 ARG 3 HG2 ARG 3 24.594 -6.527 3.982
23 HG3 ARG 3 HG1 ARG 3 25.648 -7.273 5.231
24 HD2 ARG 3 HD2 ARG 3 25.649 -5.171 6.578
25 HD3 ARG 3 HD1 ARG 3 24.710 -4.301 5.282
26 HE ARG 3 HE ARG 3 23.262 -6.690 6.099
27 HH11 ARG 3 HH11 ARG 3 24.137 -3.407 7.325
28 HH12 ARG 3 HH12 ARG 3 22.748 -3.278 8.352
29 HH21 ARG 3 HH21 ARG 3 21.404 -6.459 7.502
30 HH22 ARG 3 HH22 ARG 3 21.184 -5.028 8.451
31 H LEU 4 HN LEU 4 27.637 -3.079 2.687
32 HA LEU 4 HA LEU 4 25.282 -1.449 3.103
33 HB2 LEU 4 HB2 LEU 4 26.565 0.018 4.386
34 HB3 LEU 4 HB1 LEU 4 27.134 -1.623 4.840
35 HG LEU 4 HG LEU 4 29.044 -0.160 4.785
36 HD11 LEU 4 HD11 LEU 4 30.618 -1.286 3.355
37 HD12 LEU 4 HD12 LEU 4 29.339 -1.755 2.170
38 HD13 LEU 4 HD13 LEU 4 29.366 -2.503 3.815
39 HD21 LEU 4 HD21 LEU 4 27.762 1.365 2.847
40 HD22 LEU 4 HD22 LEU 4 29.076 0.618 1.881
41 HD23 LEU 4 HD23 LEU 4 29.478 1.575 3.359
42 H SER 5 HN SER 5 27.370 -2.222 0.595
43 HA SER 5 HA SER 5 27.781 0.423 -0.303
44 HB2 SER 5 HB2 SER 5 28.947 -0.405 -2.257
45 HB3 SER 5 HB1 SER 5 29.425 -1.469 -0.886
46 HG SER 5 HG SER 5 27.194 -2.177 -2.429
47 H LYS 6 HN LYS 6 25.108 -1.599 -0.459
48 HA LYS 6 HA LYS 6 24.152 -0.392 -2.939
49 HB2 LYS 6 HB2 LYS 6 22.404 -1.874 -2.845
50 HB3 LYS 6 HB1 LYS 6 23.688 -2.786 -1.994
51 HG2 LYS 6 HG2 LYS 6 21.621 -1.058 -0.479
52 HG3 LYS 6 HG1 LYS 6 21.269 -2.763 -0.931
53 HD2 LYS 6 HD2 LYS 6 23.126 -3.575 0.501
54 HD3 LYS 6 HD1 LYS 6 23.719 -1.899 0.804
55 HE2 LYS 6 HE2 LYS 6 22.521 -2.488 2.803
56 HE3 LYS 6 HE1 LYS 6 21.367 -1.433 1.896
57 HZ1 LYS 6 HZ1 LYS 6 20.183 -3.286 2.705
58 HZ2 LYS 6 HZ2 LYS 6 21.319 -4.405 2.121
59 HZ3 LYS 6 HZ3 LYS 6 20.351 -3.533 1.033
60 H PHE 7 HN PHE 7 24.327 0.482 0.329
61 HA PHE 7 HA PHE 7 21.782 1.873 0.392
62 HB2 PHE 7 HB2 PHE 7 21.664 1.288 2.679
63 HB3 PHE 7 HB1 PHE 7 23.208 0.350 2.470
64 HD1 PHE 7 HD1 PHE 7 21.805 3.642 3.445
65 HD2 PHE 7 HD2 PHE 7 25.152 1.191 3.101
66 HE1 PHE 7 HE1 PHE 7 23.233 5.508 3.808
67 HE2 PHE 7 HE2 PHE 7 26.581 2.974 3.483
68 HZ PHE 7 HZ PHE 7 25.604 5.144 3.763
69 H PHE 8 HN PHE 8 25.172 1.792 0.224
70 HA PHE 8 HA PHE 8 25.266 4.567 0.676
71 HB2 PHE 8 HB2 PHE 8 27.275 3.842 1.398
72 HB3 PHE 8 HB1 PHE 8 27.082 2.259 0.566
73 HD1 PHE 8 HD1 PHE 8 28.782 5.483 0.510
74 HD2 PHE 8 HD2 PHE 8 27.548 2.191 -1.818
75 HE1 PHE 8 HE1 PHE 8 30.084 6.243 -1.391
76 HE2 PHE 8 HE2 PHE 8 28.764 2.912 -3.609
77 HZ PHE 8 HZ PHE 8 30.033 4.935 -3.428
78 H ARG 9 HN ARG 9 24.528 2.399 -1.658
79 HA ARG 9 HA ARG 9 25.197 4.305 -3.650
80 HB2 ARG 9 HB2 ARG 9 24.307 1.448 -3.858
81 HB3 ARG 9 HB1 ARG 9 23.945 2.488 -5.272
82 HG2 ARG 9 HG2 ARG 9 26.364 2.980 -5.532
83 HG3 ARG 9 HG1 ARG 9 26.722 2.003 -4.072
84 HD2 ARG 9 HD2 ARG 9 25.897 -0.084 -5.192
85 HD3 ARG 9 HD1 ARG 9 25.430 0.885 -6.669
86 HE ARG 9 HE ARG 9 28.188 1.435 -6.132
87 HH11 ARG 9 HH11 ARG 9 26.154 -1.381 -7.115
88 HH12 ARG 9 HH12 ARG 9 27.427 -2.161 -7.994
89 HH21 ARG 9 HH21 ARG 9 29.871 0.337 -7.334
90 HH22 ARG 9 HH22 ARG 9 29.555 -1.175 -8.118
91 H ASP 10 HN ASP 10 22.805 3.844 -1.582
92 HA ASP 10 HA ASP 10 20.684 4.324 -3.413
93 HB2 ASP 10 HB2 ASP 10 21.117 3.821 -0.501
94 HB3 ASP 10 HB1 ASP 10 19.588 4.625 -0.994
95 H PHE 11 HN PHE 11 22.473 5.568 -0.897
96 HA PHE 11 HA PHE 11 20.874 8.010 -1.372
97 HB2 PHE 11 HB2 PHE 11 22.208 7.033 1.089
98 HB3 PHE 11 HB1 PHE 11 21.169 8.541 1.068
99 HD1 PHE 11 HD1 PHE 11 21.561 5.436 1.997
100 HD2 PHE 11 HD2 PHE 11 18.551 7.732 0.149
101 HE1 PHE 11 HE1 PHE 11 20.070 3.804 2.570
102 HE2 PHE 11 HE2 PHE 11 16.914 6.039 0.806
103 HZ PHE 11 HZ PHE 11 17.631 4.037 2.060
104 H ILE 12 HN ILE 12 24.010 6.834 -0.691
105 HA ILE 12 HA ILE 12 24.906 9.223 0.285
106 HB ILE 12 HB ILE 12 26.174 6.790 -0.693
107 HG12 ILE 12 HG12 ILE 12 26.178 6.030 1.376
108 HG13 ILE 12 HG11 ILE 12 26.625 7.576 2.151
109 HG21 ILE 12 HG21 ILE 12 27.984 8.253 -1.262
110 HG22 ILE 12 HG22 ILE 12 28.419 7.697 0.400
111 HG23 ILE 12 HG23 ILE 12 27.709 9.331 0.168
112 HD11 ILE 12 HD11 ILE 12 24.525 7.026 2.995
113 HD12 ILE 12 HD12 ILE 12 23.976 6.308 1.412
114 HD13 ILE 12 HD13 ILE 12 24.063 8.104 1.656
115 H LEU 13 HN LEU 13 25.016 7.875 -2.762
116 HA LEU 13 HA LEU 13 26.640 9.736 -4.101
117 HB2 LEU 13 HB2 LEU 13 24.197 8.408 -5.300
118 HB3 LEU 13 HB1 LEU 13 25.775 8.753 -6.108
119 HG LEU 13 HG LEU 13 25.029 6.616 -4.076
120 HD11 LEU 13 HD11 LEU 13 25.632 5.034 -5.949
121 HD12 LEU 13 HD12 LEU 13 25.864 6.454 -7.033
122 HD13 LEU 13 HD13 LEU 13 24.243 6.131 -6.294
123 HD21 LEU 13 HD21 LEU 13 27.223 6.923 -3.301
124 HD22 LEU 13 HD22 LEU 13 27.876 7.419 -4.921
125 HD23 LEU 13 HD23 LEU 13 27.489 5.687 -4.589
126 H GLN 14 HN GLN 14 23.332 9.728 -3.083
127 HA GLN 14 HA GLN 14 22.617 12.085 -4.693
128 HB2 GLN 14 HB2 GLN 14 20.964 9.970 -3.181
129 HB3 GLN 14 HB1 GLN 14 20.217 11.451 -3.921
130 HG2 GLN 14 HG2 GLN 14 21.213 10.692 -6.193
131 HG3 GLN 14 HG1 GLN 14 21.728 9.158 -5.375
132 HE21 GLN 14 HE21 GLN 14 20.099 8.675 -7.437
133 HE22 GLN 14 HE22 GLN 14 18.471 8.324 -6.957
134 H ARG 15 HN ARG 15 23.969 11.607 -1.571
135 HA ARG 15 HA ARG 15 22.328 13.572 -0.178
136 HB2 ARG 15 HB2 ARG 15 25.187 12.525 0.487
137 HB3 ARG 15 HB1 ARG 15 24.241 13.638 1.545
138 HG2 ARG 15 HG2 ARG 15 22.522 11.909 1.909
139 HG3 ARG 15 HG1 ARG 15 23.318 10.847 0.724
140 HD2 ARG 15 HD2 ARG 15 23.905 9.945 2.946
141 HD3 ARG 15 HD1 ARG 15 25.393 10.765 2.289
142 HE ARG 15 HE ARG 15 23.927 12.733 3.806
143 HH11 ARG 15 HH11 ARG 15 25.724 9.650 4.379
144 HH12 ARG 15 HH12 ARG 15 26.188 10.072 5.994
145 HH21 ARG 15 HH21 ARG 15 24.583 13.243 5.995
146 HH22 ARG 15 HH22 ARG 15 25.534 12.128 6.917
147 H LYS 16 HN LYS 16 25.469 13.268 -1.768
148 HA LYS 16 HA LYS 16 25.460 16.167 -2.329
149 HB2 LYS 16 HB2 LYS 16 27.750 14.126 -2.123
150 HB3 LYS 16 HB1 LYS 16 27.958 15.763 -2.862
151 HG2 LYS 16 HG2 LYS 16 27.297 16.859 -0.757
152 HG3 LYS 16 HG1 LYS 16 26.942 15.272 0.013
153 HD2 LYS 16 HD2 LYS 16 29.310 14.599 -0.224
154 HD3 LYS 16 HD1 LYS 16 29.701 16.148 -1.040
155 HE2 LYS 16 HE2 LYS 16 28.609 15.971 1.866
156 HE3 LYS 16 HE1 LYS 16 30.368 16.043 1.449
157 HZ1 LYS 16 HZ1 LYS 16 30.194 18.189 0.768
158 HZ2 LYS 16 HZ2 LYS 16 29.022 18.174 1.997
159 HZ3 LYS 16 HZ3 LYS 16 28.546 18.092 0.369
160 H LYS 17 HN LYS 17 23.897 15.807 -3.865
161 HA LYS 17 HA LYS 17 23.849 14.065 -5.979
162 HB2 LYS 17 HB2 LYS 17 23.015 17.044 -6.069
163 HB3 LYS 17 HB1 LYS 17 22.384 15.726 -7.127
164 HG2 LYS 17 HG2 LYS 17 21.388 14.591 -5.117
165 HG3 LYS 17 HG1 LYS 17 22.019 15.909 -4.059
166 HD2 LYS 17 HD2 LYS 17 20.622 17.582 -5.333
167 HD3 LYS 17 HD1 LYS 17 19.978 16.256 -6.365
168 HE2 LYS 17 HE2 LYS 17 18.936 15.172 -4.338
169 HE3 LYS 17 HE1 LYS 17 19.599 16.495 -3.290
170 HZ1 LYS 17 HZ1 LYS 17 17.402 16.534 -5.224
171 HZ2 LYS 17 HZ2 LYS 17 18.338 17.945 -5.077
172 HZ3 LYS 17 HZ3 LYS 17 17.560 17.294 -3.715
Start of MODEL 14
1 H1 GLU 1 HT1 GLU 1 28.836 -9.466 -1.758
2 H2 GLU 1 HT2 GLU 1 29.546 -10.277 -0.446
3 H3 GLU 1 HT3 GLU 1 29.870 -10.784 -2.035
4 HA GLU 1 HA GLU 1 31.736 -9.618 -1.256
5 HB2 GLU 1 HB2 GLU 1 29.995 -8.008 -3.237
6 HB3 GLU 1 HB1 GLU 1 31.678 -7.495 -2.838
7 HG2 GLU 1 HG2 GLU 1 32.572 -9.710 -3.669
8 HG3 GLU 1 HG1 GLU 1 30.892 -10.237 -4.075
9 H MET 2 HN MET 2 29.024 -7.122 -1.314
10 HA MET 2 HA MET 2 30.091 -6.119 1.249
11 HB2 MET 2 HB2 MET 2 28.775 -4.289 -0.857
12 HB3 MET 2 HB1 MET 2 29.570 -3.796 0.683
13 HG2 MET 2 HG2 MET 2 31.280 -3.260 -0.752
14 HG3 MET 2 HG1 MET 2 31.739 -4.966 -0.457
15 HE1 MET 2 HE1 MET 2 33.281 -4.970 -2.482
16 HE2 MET 2 HE2 MET 2 32.872 -3.246 -2.789
17 HE3 MET 2 HE3 MET 2 32.838 -4.431 -4.139
18 H ARG 3 HN ARG 3 28.331 -4.532 2.202
19 HA ARG 3 HA ARG 3 25.752 -5.918 2.092
20 HB2 ARG 3 HB2 ARG 3 27.419 -6.636 3.989
21 HB3 ARG 3 HB1 ARG 3 27.227 -4.972 4.619
22 HG2 ARG 3 HG2 ARG 3 24.599 -6.341 4.168
23 HG3 ARG 3 HG1 ARG 3 25.670 -7.273 5.262
24 HD2 ARG 3 HD2 ARG 3 25.274 -4.233 5.735
25 HD3 ARG 3 HD1 ARG 3 24.017 -5.431 6.302
26 HE ARG 3 HE ARG 3 26.554 -6.416 7.191
27 HH11 ARG 3 HH11 ARG 3 24.477 -3.519 7.779
28 HH12 ARG 3 HH12 ARG 3 25.058 -3.272 9.392
29 HH21 ARG 3 HH21 ARG 3 27.302 -6.031 9.371
30 HH22 ARG 3 HH22 ARG 3 26.676 -4.710 10.301
31 H LEU 4 HN LEU 4 27.661 -3.047 2.748
32 HA LEU 4 HA LEU 4 25.312 -1.399 3.165
33 HB2 LEU 4 HB2 LEU 4 26.595 0.068 4.444
34 HB3 LEU 4 HB1 LEU 4 27.164 -1.572 4.902
35 HG LEU 4 HG LEU 4 29.072 -0.113 4.850
36 HD11 LEU 4 HD11 LEU 4 30.647 -1.246 3.425
37 HD12 LEU 4 HD12 LEU 4 29.370 -1.713 2.238
38 HD13 LEU 4 HD13 LEU 4 29.390 -2.459 3.886
39 HD21 LEU 4 HD21 LEU 4 29.125 0.663 1.948
40 HD22 LEU 4 HD22 LEU 4 29.500 1.626 3.428
41 HD23 LEU 4 HD23 LEU 4 27.790 1.404 2.898
42 H SER 5 HN SER 5 27.429 -2.182 0.687
43 HA SER 5 HA SER 5 27.831 0.455 -0.240
44 HB2 SER 5 HB2 SER 5 29.445 -1.539 -0.664
45 HB3 SER 5 HB1 SER 5 28.311 -2.036 -1.972
46 HG SER 5 HG SER 5 28.965 0.619 -2.050
47 H LYS 6 HN LYS 6 25.173 -1.595 -0.399
48 HA LYS 6 HA LYS 6 24.248 -0.439 -2.919
49 HB2 LYS 6 HB2 LYS 6 22.511 -1.932 -2.830
50 HB3 LYS 6 HB1 LYS 6 23.786 -2.825 -1.945
51 HG2 LYS 6 HG2 LYS 6 21.683 -1.087 -0.490
52 HG3 LYS 6 HG1 LYS 6 21.350 -2.801 -0.920
53 HD2 LYS 6 HD2 LYS 6 23.190 -3.578 0.556
54 HD3 LYS 6 HD1 LYS 6 23.763 -1.892 0.842
55 HE2 LYS 6 HE2 LYS 6 22.534 -2.460 2.829
56 HE3 LYS 6 HE1 LYS 6 21.391 -1.428 1.886
57 HZ1 LYS 6 HZ1 LYS 6 20.533 -3.581 2.922
58 HZ2 LYS 6 HZ2 LYS 6 21.319 -4.387 1.651
59 HZ3 LYS 6 HZ3 LYS 6 20.105 -3.250 1.313
60 H PHE 7 HN PHE 7 24.371 0.482 0.339
61 HA PHE 7 HA PHE 7 21.815 1.859 0.350
62 HB2 PHE 7 HB2 PHE 7 21.672 1.305 2.645
63 HB3 PHE 7 HB1 PHE 7 23.222 0.369 2.466
64 HD1 PHE 7 HD1 PHE 7 21.797 3.668 3.382
65 HD2 PHE 7 HD2 PHE 7 25.155 1.220 3.113
66 HE1 PHE 7 HE1 PHE 7 23.216 5.541 3.743
67 HE2 PHE 7 HE2 PHE 7 26.578 3.010 3.488
68 HZ PHE 7 HZ PHE 7 25.589 5.185 3.733
69 H PHE 8 HN PHE 8 25.208 1.798 0.226
70 HA PHE 8 HA PHE 8 25.281 4.579 0.645
71 HB2 PHE 8 HB2 PHE 8 27.290 3.882 1.394
72 HB3 PHE 8 HB1 PHE 8 27.111 2.285 0.590
73 HD1 PHE 8 HD1 PHE 8 28.819 5.497 0.503
74 HD2 PHE 8 HD2 PHE 8 27.580 2.192 -1.808
75 HE1 PHE 8 HE1 PHE 8 30.138 6.234 -1.394
76 HE2 PHE 8 HE2 PHE 8 28.812 2.894 -3.597
77 HZ PHE 8 HZ PHE 8 30.091 4.910 -3.421
78 H ARG 9 HN ARG 9 24.581 2.379 -1.672
79 HA ARG 9 HA ARG 9 25.262 4.264 -3.679
80 HB2 ARG 9 HB2 ARG 9 24.385 1.400 -3.853
81 HB3 ARG 9 HB1 ARG 9 24.014 2.415 -5.283
82 HG2 ARG 9 HG2 ARG 9 26.432 2.919 -5.552
83 HG3 ARG 9 HG1 ARG 9 26.795 1.953 -4.083
84 HD2 ARG 9 HD2 ARG 9 25.989 -0.145 -5.179
85 HD3 ARG 9 HD1 ARG 9 25.476 0.803 -6.653
86 HE ARG 9 HE ARG 9 28.244 1.380 -6.182
87 HH11 ARG 9 HH11 ARG 9 26.209 -1.459 -7.106
88 HH12 ARG 9 HH12 ARG 9 27.462 -2.223 -8.027
89 HH21 ARG 9 HH21 ARG 9 29.900 0.299 -7.444
90 HH22 ARG 9 HH22 ARG 9 29.574 -1.216 -8.219
91 H ASP 10 HN ASP 10 22.847 3.823 -1.628
92 HA ASP 10 HA ASP 10 20.743 4.290 -3.485
93 HB2 ASP 10 HB2 ASP 10 21.148 3.814 -0.562
94 HB3 ASP 10 HB1 ASP 10 19.619 4.603 -1.084
95 H PHE 11 HN PHE 11 22.508 5.553 -0.962
96 HA PHE 11 HA PHE 11 20.908 7.988 -1.478
97 HB2 PHE 11 HB2 PHE 11 22.217 7.038 1.006
98 HB3 PHE 11 HB1 PHE 11 21.179 8.545 0.960
99 HD1 PHE 11 HD1 PHE 11 21.558 5.451 1.926
100 HD2 PHE 11 HD2 PHE 11 18.570 7.726 0.017
101 HE1 PHE 11 HE1 PHE 11 20.062 3.827 2.500
102 HE2 PHE 11 HE2 PHE 11 16.925 6.040 0.675
103 HZ PHE 11 HZ PHE 11 17.627 4.053 1.960
104 H ILE 12 HN ILE 12 24.037 6.830 -0.745
105 HA ILE 12 HA ILE 12 24.923 9.225 0.216
106 HB ILE 12 HB ILE 12 26.199 6.785 -0.729
107 HG12 ILE 12 HG12 ILE 12 26.186 6.045 1.347
108 HG13 ILE 12 HG11 ILE 12 26.625 7.597 2.113
109 HG21 ILE 12 HG21 ILE 12 28.436 7.701 0.375
110 HG22 ILE 12 HG22 ILE 12 27.730 9.333 0.121
111 HG23 ILE 12 HG23 ILE 12 28.017 8.239 -1.295
112 HD11 ILE 12 HD11 ILE 12 24.516 7.052 2.940
113 HD12 ILE 12 HD12 ILE 12 23.982 6.322 1.355
114 HD13 ILE 12 HD13 ILE 12 24.069 8.122 1.588
115 H LEU 13 HN LEU 13 25.065 7.854 -2.817
116 HA LEU 13 HA LEU 13 26.708 9.686 -4.160
117 HB2 LEU 13 HB2 LEU 13 24.247 8.357 -5.338
118 HB3 LEU 13 HB1 LEU 13 25.810 8.708 -6.171
119 HG LEU 13 HG LEU 13 25.102 6.573 -4.127
120 HD11 LEU 13 HD11 LEU 13 25.712 4.985 -5.987
121 HD12 LEU 13 HD12 LEU 13 25.944 6.400 -7.081
122 HD13 LEU 13 HD13 LEU 13 24.321 6.076 -6.346
123 HD21 LEU 13 HD21 LEU 13 27.940 7.405 -4.959
124 HD22 LEU 13 HD22 LEU 13 27.573 5.666 -4.642
125 HD23 LEU 13 HD23 LEU 13 27.286 6.890 -3.347
126 H GLN 14 HN GLN 14 23.370 9.698 -3.208
127 HA GLN 14 HA GLN 14 22.684 12.039 -4.835
128 HB2 GLN 14 HB2 GLN 14 21.027 9.972 -3.272
129 HB3 GLN 14 HB1 GLN 14 20.280 11.450 -4.014
130 HG2 GLN 14 HG2 GLN 14 21.226 10.653 -6.295
131 HG3 GLN 14 HG1 GLN 14 21.741 9.126 -5.466
132 HE21 GLN 14 HE21 GLN 14 20.036 8.711 -7.524
133 HE22 GLN 14 HE22 GLN 14 18.426 8.359 -6.994
134 H ARG 15 HN ARG 15 23.996 11.641 -1.653
135 HA ARG 15 HA ARG 15 22.294 13.572 -0.296
136 HB2 ARG 15 HB2 ARG 15 25.160 12.611 0.432
137 HB3 ARG 15 HB1 ARG 15 24.140 13.671 1.475
138 HG2 ARG 15 HG2 ARG 15 22.457 11.868 1.710
139 HG3 ARG 15 HG1 ARG 15 23.388 10.858 0.579
140 HD2 ARG 15 HD2 ARG 15 23.886 9.971 2.827
141 HD3 ARG 15 HD1 ARG 15 25.358 10.899 2.280
142 HE ARG 15 HE ARG 15 23.680 12.762 3.690
143 HH11 ARG 15 HH11 ARG 15 25.558 9.762 4.426
144 HH12 ARG 15 HH12 ARG 15 25.849 10.197 6.077
145 HH21 ARG 15 HH21 ARG 15 24.102 13.290 5.931
146 HH22 ARG 15 HH22 ARG 15 25.015 12.215 6.936
147 H LYS 16 HN LYS 16 25.466 13.429 -1.893
148 HA LYS 16 HA LYS 16 25.775 16.343 -1.830
149 HB2 LYS 16 HB2 LYS 16 27.589 14.148 -2.985
150 HB3 LYS 16 HB1 LYS 16 28.004 15.906 -2.924
151 HG2 LYS 16 HG2 LYS 16 27.844 15.845 -0.414
152 HG3 LYS 16 HG1 LYS 16 27.476 14.084 -0.493
153 HD2 LYS 16 HD2 LYS 16 29.663 13.664 -1.606
154 HD3 LYS 16 HD1 LYS 16 30.038 15.422 -1.556
155 HE2 LYS 16 HE2 LYS 16 30.032 15.353 0.974
156 HE3 LYS 16 HE1 LYS 16 29.652 13.581 0.919
157 HZ1 LYS 16 HZ1 LYS 16 32.058 14.829 -0.318
158 HZ2 LYS 16 HZ2 LYS 16 31.723 13.174 -0.136
159 HZ3 LYS 16 HZ3 LYS 16 32.015 14.136 1.233
160 H LYS 17 HN LYS 17 24.019 14.274 -3.611
161 HA LYS 17 HA LYS 17 22.916 14.327 -5.437
162 HB2 LYS 17 HB2 LYS 17 24.048 17.130 -6.037
163 HB3 LYS 17 HB1 LYS 17 22.675 16.354 -6.909
164 HG2 LYS 17 HG2 LYS 17 21.349 16.266 -4.781
165 HG3 LYS 17 HG1 LYS 17 22.722 17.014 -3.881
166 HD2 LYS 17 HD2 LYS 17 22.543 19.054 -5.311
167 HD3 LYS 17 HD1 LYS 17 21.174 18.317 -6.213
168 HE2 LYS 17 HE2 LYS 17 19.796 18.277 -4.093
169 HE3 LYS 17 HE1 LYS 17 21.181 19.010 -3.183
170 HZ1 LYS 17 HZ1 LYS 17 20.053 20.852 -3.708
171 HZ2 LYS 17 HZ2 LYS 17 19.337 20.206 -5.105
172 HZ3 LYS 17 HZ3 LYS 17 20.945 20.750 -5.149
Start of MODEL 15
1 H1 GLU 1 HT1 GLU 1 28.329 -8.781 -3.714
2 H2 GLU 1 HT2 GLU 1 27.668 -8.236 -2.247
3 H3 GLU 1 HT3 GLU 1 28.991 -9.302 -2.238
4 HA GLU 1 HA GLU 1 30.485 -7.741 -2.651
5 HB2 GLU 1 HB2 GLU 1 28.275 -6.287 -4.260
6 HB3 GLU 1 HB1 GLU 1 29.899 -5.553 -3.973
7 HG2 GLU 1 HG2 GLU 1 31.005 -7.494 -5.163
8 HG3 GLU 1 HG1 GLU 1 29.383 -8.236 -5.459
9 H MET 2 HN MET 2 30.743 -7.326 -0.473
10 HA MET 2 HA MET 2 30.705 -6.320 1.453
11 HB2 MET 2 HB2 MET 2 29.474 -3.826 0.089
12 HB3 MET 2 HB1 MET 2 30.236 -3.852 1.729
13 HG2 MET 2 HG2 MET 2 32.404 -4.705 0.608
14 HG3 MET 2 HG1 MET 2 31.631 -4.373 -0.975
15 HE1 MET 2 HE1 MET 2 34.355 -1.612 -0.721
16 HE2 MET 2 HE2 MET 2 33.652 -2.971 -1.665
17 HE3 MET 2 HE3 MET 2 34.431 -3.289 -0.077
18 H ARG 3 HN ARG 3 28.377 -4.157 2.100
19 HA ARG 3 HA ARG 3 26.216 -5.986 2.415
20 HB2 ARG 3 HB2 ARG 3 27.998 -6.288 4.379
21 HB3 ARG 3 HB1 ARG 3 27.392 -4.701 4.937
22 HG2 ARG 3 HG2 ARG 3 25.294 -6.839 4.393
23 HG3 ARG 3 HG1 ARG 3 26.420 -7.154 5.757
24 HD2 ARG 3 HD2 ARG 3 25.785 -4.973 6.838
25 HD3 ARG 3 HD1 ARG 3 24.693 -4.581 5.437
26 HE ARG 3 HE ARG 3 23.989 -7.182 6.550
27 HH11 ARG 3 HH11 ARG 3 23.739 -3.653 7.287
28 HH12 ARG 3 HH12 ARG 3 22.316 -3.827 8.260
29 HH21 ARG 3 HH21 ARG 3 22.072 -7.354 7.872
30 HH22 ARG 3 HH22 ARG 3 21.364 -5.949 8.596
31 H LEU 4 HN LEU 4 27.663 -2.901 3.140
32 HA LEU 4 HA LEU 4 25.090 -1.573 3.289
33 HB2 LEU 4 HB2 LEU 4 26.229 0.081 4.575
34 HB3 LEU 4 HB1 LEU 4 26.704 -1.545 5.185
35 HG LEU 4 HG LEU 4 28.716 -1.152 3.331
36 HD11 LEU 4 HD11 LEU 4 27.827 1.111 2.738
37 HD12 LEU 4 HD12 LEU 4 29.530 1.154 3.358
38 HD13 LEU 4 HD13 LEU 4 28.164 1.670 4.424
39 HD21 LEU 4 HD21 LEU 4 30.180 -0.623 5.257
40 HD22 LEU 4 HD22 LEU 4 28.984 -1.934 5.621
41 HD23 LEU 4 HD23 LEU 4 28.724 -0.260 6.269
42 H SER 5 HN SER 5 27.548 -2.105 1.055
43 HA SER 5 HA SER 5 27.879 0.513 0.153
44 HB2 SER 5 HB2 SER 5 29.531 -1.484 -0.156
45 HB3 SER 5 HB1 SER 5 28.527 -1.942 -1.574
46 HG SER 5 HG SER 5 29.117 0.700 -1.584
47 H LYS 6 HN LYS 6 25.338 -1.622 -0.184
48 HA LYS 6 HA LYS 6 24.522 -0.531 -2.780
49 HB2 LYS 6 HB2 LYS 6 22.824 -2.082 -2.761
50 HB3 LYS 6 HB1 LYS 6 24.096 -2.915 -1.816
51 HG2 LYS 6 HG2 LYS 6 21.850 -1.271 -0.466
52 HG3 LYS 6 HG1 LYS 6 21.625 -3.003 -0.892
53 HD2 LYS 6 HD2 LYS 6 23.472 -3.654 0.656
54 HD3 LYS 6 HD1 LYS 6 23.884 -1.933 0.975
55 HE2 LYS 6 HE2 LYS 6 22.619 -2.651 2.900
56 HE3 LYS 6 HE1 LYS 6 21.463 -1.658 1.930
57 HZ1 LYS 6 HZ1 LYS 6 20.615 -3.781 0.993
58 HZ2 LYS 6 HZ2 LYS 6 20.372 -3.610 2.664
59 HZ3 LYS 6 HZ3 LYS 6 21.597 -4.633 2.085
60 H PHE 7 HN PHE 7 24.358 0.418 0.476
61 HA PHE 7 HA PHE 7 21.767 1.713 0.281
62 HB2 PHE 7 HB2 PHE 7 21.476 1.162 2.567
63 HB3 PHE 7 HB1 PHE 7 23.063 0.276 2.498
64 HD1 PHE 7 HD1 PHE 7 21.490 3.545 3.282
65 HD2 PHE 7 HD2 PHE 7 24.905 1.168 3.298
66 HE1 PHE 7 HE1 PHE 7 22.832 5.446 3.747
67 HE2 PHE 7 HE2 PHE 7 26.265 2.980 3.784
68 HZ PHE 7 HZ PHE 7 25.205 5.150 3.931
69 H PHE 8 HN PHE 8 25.153 1.760 0.432
70 HA PHE 8 HA PHE 8 25.108 4.539 0.836
71 HB2 PHE 8 HB2 PHE 8 27.045 3.881 1.770
72 HB3 PHE 8 HB1 PHE 8 26.981 2.285 0.952
73 HD1 PHE 8 HD1 PHE 8 28.649 5.498 1.084
74 HD2 PHE 8 HD2 PHE 8 27.647 2.249 -1.414
75 HE1 PHE 8 HE1 PHE 8 30.160 6.263 -0.650
76 HE2 PHE 8 HE2 PHE 8 29.051 2.977 -3.048
77 HZ PHE 8 HZ PHE 8 30.318 4.973 -2.690
78 H ARG 9 HN ARG 9 24.680 2.305 -1.517
79 HA ARG 9 HA ARG 9 25.469 4.201 -3.471
80 HB2 ARG 9 HB2 ARG 9 24.699 1.313 -3.713
81 HB3 ARG 9 HB1 ARG 9 24.426 2.321 -5.171
82 HG2 ARG 9 HG2 ARG 9 26.831 2.897 -5.239
83 HG3 ARG 9 HG1 ARG 9 27.106 1.976 -3.725
84 HD2 ARG 9 HD2 ARG 9 26.473 -0.175 -4.850
85 HD3 ARG 9 HD1 ARG 9 26.085 0.733 -6.388
86 HE ARG 9 HE ARG 9 28.754 1.440 -5.657
87 HH11 ARG 9 HH11 ARG 9 26.968 -1.533 -6.659
88 HH12 ARG 9 HH12 ARG 9 28.351 -2.272 -7.396
89 HH21 ARG 9 HH21 ARG 9 30.587 0.395 -6.668
90 HH22 ARG 9 HH22 ARG 9 30.422 -1.166 -7.401
91 H ASP 10 HN ASP 10 22.912 3.693 -1.625
92 HA ASP 10 HA ASP 10 20.953 4.089 -3.645
93 HB2 ASP 10 HB2 ASP 10 21.137 3.649 -0.696
94 HB3 ASP 10 HB1 ASP 10 19.636 4.395 -1.344
95 H PHE 11 HN PHE 11 22.479 5.420 -1.007
96 HA PHE 11 HA PHE 11 20.867 7.811 -1.673
97 HB2 PHE 11 HB2 PHE 11 21.991 6.924 0.922
98 HB3 PHE 11 HB1 PHE 11 20.917 8.397 0.767
99 HD1 PHE 11 HD1 PHE 11 21.310 5.325 1.812
100 HD2 PHE 11 HD2 PHE 11 18.423 7.485 -0.371
101 HE1 PHE 11 HE1 PHE 11 19.815 3.662 2.284
102 HE2 PHE 11 HE2 PHE 11 16.781 5.757 0.171
103 HZ PHE 11 HZ PHE 11 17.430 3.809 1.539
104 H ILE 12 HN ILE 12 23.954 6.736 -0.669
105 HA ILE 12 HA ILE 12 24.695 9.164 0.333
106 HB ILE 12 HB ILE 12 26.104 6.748 -0.475
107 HG12 ILE 12 HG12 ILE 12 25.949 6.030 1.604
108 HG13 ILE 12 HG11 ILE 12 26.270 7.605 2.381
109 HG21 ILE 12 HG21 ILE 12 28.221 7.723 0.797
110 HG22 ILE 12 HG22 ILE 12 27.504 9.337 0.465
111 HG23 ILE 12 HG23 ILE 12 27.929 8.232 -0.911
112 HD11 ILE 12 HD11 ILE 12 23.741 6.236 1.417
113 HD12 ILE 12 HD12 ILE 12 23.755 8.043 1.647
114 HD13 ILE 12 HD13 ILE 12 24.109 6.989 3.029
115 H LEU 13 HN LEU 13 25.136 7.764 -2.662
116 HA LEU 13 HA LEU 13 26.836 9.635 -3.877
117 HB2 LEU 13 HB2 LEU 13 24.534 8.246 -5.272
118 HB3 LEU 13 HB1 LEU 13 26.170 8.616 -5.942
119 HG LEU 13 HG LEU 13 25.289 6.487 -3.959
120 HD11 LEU 13 HD11 LEU 13 26.386 6.315 -6.827
121 HD12 LEU 13 HD12 LEU 13 24.713 5.964 -6.232
122 HD13 LEU 13 HD13 LEU 13 26.085 4.899 -5.751
123 HD21 LEU 13 HD21 LEU 13 27.799 5.600 -4.231
124 HD22 LEU 13 HD22 LEU 13 27.399 6.849 -2.994
125 HD23 LEU 13 HD23 LEU 13 28.185 7.337 -4.556
126 H GLN 14 HN GLN 14 23.430 9.553 -3.218
127 HA GLN 14 HA GLN 14 22.835 11.864 -4.924
128 HB2 GLN 14 HB2 GLN 14 21.092 9.755 -3.520
129 HB3 GLN 14 HB1 GLN 14 20.385 11.211 -4.346
130 HG2 GLN 14 HG2 GLN 14 21.619 10.440 -6.503
131 HG3 GLN 14 HG1 GLN 14 22.053 8.920 -5.617
132 HE21 GLN 14 HE21 GLN 14 20.642 8.422 -7.835
133 HE22 GLN 14 HE22 GLN 14 18.977 8.059 -7.517
134 H ARG 15 HN ARG 15 23.830 11.434 -1.641
135 HA ARG 15 HA ARG 15 22.080 13.435 -0.464
136 HB2 ARG 15 HB2 ARG 15 24.863 12.405 0.487
137 HB3 ARG 15 HB1 ARG 15 23.827 13.541 1.428
138 HG2 ARG 15 HG2 ARG 15 22.075 11.820 1.663
139 HG3 ARG 15 HG1 ARG 15 22.984 10.730 0.588
140 HD2 ARG 15 HD2 ARG 15 23.354 9.892 2.881
141 HD3 ARG 15 HD1 ARG 15 24.897 10.695 2.345
142 HE ARG 15 HE ARG 15 23.288 12.697 3.665
143 HH11 ARG 15 HH11 ARG 15 25.052 9.653 4.481
144 HH12 ARG 15 HH12 ARG 15 25.371 10.123 6.117
145 HH21 ARG 15 HH21 ARG 15 23.744 13.277 5.887
146 HH22 ARG 15 HH22 ARG 15 24.621 12.198 6.920
147 H LYS 16 HN LYS 16 25.349 13.095 -1.752
148 HA LYS 16 HA LYS 16 25.492 15.995 -2.301
149 HB2 LYS 16 HB2 LYS 16 27.669 13.839 -2.010
150 HB3 LYS 16 HB1 LYS 16 27.989 15.511 -2.622
151 HG2 LYS 16 HG2 LYS 16 27.146 16.480 -0.492
152 HG3 LYS 16 HG1 LYS 16 26.779 14.834 0.137
153 HD2 LYS 16 HD2 LYS 16 29.178 14.219 -0.037
154 HD3 LYS 16 HD1 LYS 16 29.566 15.855 -0.679
155 HE2 LYS 16 HE2 LYS 16 28.809 16.892 1.503
156 HE3 LYS 16 HE1 LYS 16 28.420 15.241 2.146
157 HZ1 LYS 16 HZ1 LYS 16 30.493 15.166 2.810
158 HZ2 LYS 16 HZ2 LYS 16 30.906 16.603 2.004
159 HZ3 LYS 16 HZ3 LYS 16 31.007 15.114 1.192
160 H LYS 17 HN LYS 17 23.898 15.463 -3.924
161 HA LYS 17 HA LYS 17 24.403 13.739 -6.083
162 HB2 LYS 17 HB2 LYS 17 22.580 15.196 -7.272
163 HB3 LYS 17 HB1 LYS 17 22.122 14.267 -5.806
164 HG2 LYS 17 HG2 LYS 17 22.378 16.314 -4.388
165 HG3 LYS 17 HG1 LYS 17 22.883 17.260 -5.833
166 HD2 LYS 17 HD2 LYS 17 20.639 16.861 -6.882
167 HD3 LYS 17 HD1 LYS 17 20.138 15.885 -5.450
168 HE2 LYS 17 HE2 LYS 17 20.426 17.891 -3.972
169 HE3 LYS 17 HE1 LYS 17 20.944 18.875 -5.400
170 HZ1 LYS 17 HZ1 LYS 17 18.510 18.914 -4.594
171 HZ2 LYS 17 HZ2 LYS 17 18.358 17.447 -5.437
172 HZ3 LYS 17 HZ3 LYS 17 18.839 18.852 -6.260
Start of MODEL 16
1 H1 GLU 1 HT1 GLU 1 29.458 -10.776 -2.059
2 H2 GLU 1 HT2 GLU 1 28.577 -9.403 -2.527
3 H3 GLU 1 HT3 GLU 1 28.824 -9.732 -0.880
4 HA GLU 1 HA GLU 1 31.325 -9.689 -1.772
5 HB2 GLU 1 HB2 GLU 1 29.668 -7.642 -3.391
6 HB3 GLU 1 HB1 GLU 1 31.429 -7.398 -3.082
7 HG2 GLU 1 HG2 GLU 1 31.958 -9.572 -4.255
8 HG3 GLU 1 HG1 GLU 1 30.198 -9.835 -4.569
9 H MET 2 HN MET 2 28.910 -6.950 -1.321
10 HA MET 2 HA MET 2 30.305 -6.313 1.206
11 HB2 MET 2 HB2 MET 2 28.769 -4.206 -0.440
12 HB3 MET 2 HB1 MET 2 29.917 -3.937 0.922
13 HG2 MET 2 HG2 MET 2 31.345 -3.376 -0.791
14 HG3 MET 2 HG1 MET 2 31.675 -5.133 -0.786
15 HE1 MET 2 HE1 MET 2 32.016 -4.253 -4.543
16 HE2 MET 2 HE2 MET 2 32.728 -5.046 -3.097
17 HE3 MET 2 HE3 MET 2 32.479 -3.266 -3.113
18 H ARG 3 HN ARG 3 28.338 -4.392 2.094
19 HA ARG 3 HA ARG 3 25.966 -6.022 2.323
20 HB2 ARG 3 HB2 ARG 3 27.779 -6.447 4.202
21 HB3 ARG 3 HB1 ARG 3 27.345 -4.808 4.769
22 HG2 ARG 3 HG2 ARG 3 24.974 -6.629 4.371
23 HG3 ARG 3 HG1 ARG 3 26.172 -7.244 5.562
24 HD2 ARG 3 HD2 ARG 3 26.029 -5.064 6.849
25 HD3 ARG 3 HD1 ARG 3 24.809 -4.443 5.649
26 HE ARG 3 HE ARG 3 23.835 -6.966 6.603
27 HH11 ARG 3 HH11 ARG 3 24.554 -3.702 7.978
28 HH12 ARG 3 HH12 ARG 3 23.361 -3.824 9.227
29 HH21 ARG 3 HH21 ARG 3 22.242 -7.072 8.312
30 HH22 ARG 3 HH22 ARG 3 22.039 -5.754 9.418
31 H LEU 4 HN LEU 4 27.609 -3.017 2.938
32 HA LEU 4 HA LEU 4 25.122 -1.555 3.200
33 HB2 LEU 4 HB2 LEU 4 26.393 0.038 4.416
34 HB3 LEU 4 HB1 LEU 4 26.836 -1.605 5.003
35 HG LEU 4 HG LEU 4 28.759 -1.288 3.041
36 HD11 LEU 4 HD11 LEU 4 29.651 0.972 2.996
37 HD12 LEU 4 HD12 LEU 4 28.416 1.545 4.189
38 HD13 LEU 4 HD13 LEU 4 27.898 1.025 2.535
39 HD21 LEU 4 HD21 LEU 4 28.969 -0.418 5.979
40 HD22 LEU 4 HD22 LEU 4 30.348 -0.839 4.886
41 HD23 LEU 4 HD23 LEU 4 29.114 -2.098 5.313
42 H SER 5 HN SER 5 27.428 -2.219 0.821
43 HA SER 5 HA SER 5 27.789 0.419 -0.061
44 HB2 SER 5 HB2 SER 5 28.483 -2.194 -1.503
45 HB3 SER 5 HB1 SER 5 28.852 -0.550 -2.157
46 HG SER 5 HG SER 5 29.945 -0.187 -0.129
47 H LYS 6 HN LYS 6 25.167 -1.604 -0.293
48 HA LYS 6 HA LYS 6 24.298 -0.487 -2.859
49 HB2 LYS 6 HB2 LYS 6 22.538 -1.966 -2.764
50 HB3 LYS 6 HB1 LYS 6 23.812 -2.851 -1.870
51 HG2 LYS 6 HG2 LYS 6 21.698 -1.109 -0.429
52 HG3 LYS 6 HG1 LYS 6 21.379 -2.829 -0.842
53 HD2 LYS 6 HD2 LYS 6 23.260 -3.564 0.629
54 HD3 LYS 6 HD1 LYS 6 23.759 -1.861 0.932
55 HE2 LYS 6 HE2 LYS 6 22.546 -2.533 2.905
56 HE3 LYS 6 HE1 LYS 6 21.396 -1.485 1.986
57 HZ1 LYS 6 HZ1 LYS 6 20.192 -3.340 2.695
58 HZ2 LYS 6 HZ2 LYS 6 21.388 -4.451 2.228
59 HZ3 LYS 6 HZ3 LYS 6 20.484 -3.630 1.048
60 H PHE 7 HN PHE 7 24.323 0.462 0.400
61 HA PHE 7 HA PHE 7 21.785 1.869 0.325
62 HB2 PHE 7 HB2 PHE 7 21.573 1.328 2.622
63 HB3 PHE 7 HB1 PHE 7 23.114 0.369 2.483
64 HD1 PHE 7 HD1 PHE 7 21.728 3.703 3.348
65 HD2 PHE 7 HD2 PHE 7 25.031 1.178 3.186
66 HE1 PHE 7 HE1 PHE 7 23.175 5.545 3.746
67 HE2 PHE 7 HE2 PHE 7 26.492 2.927 3.606
68 HZ PHE 7 HZ PHE 7 25.539 5.142 3.815
69 H PHE 8 HN PHE 8 25.174 1.769 0.321
70 HA PHE 8 HA PHE 8 25.266 4.549 0.724
71 HB2 PHE 8 HB2 PHE 8 27.217 3.810 1.568
72 HB3 PHE 8 HB1 PHE 8 27.046 2.218 0.758
73 HD1 PHE 8 HD1 PHE 8 28.857 5.351 0.809
74 HD2 PHE 8 HD2 PHE 8 27.598 2.156 -1.645
75 HE1 PHE 8 HE1 PHE 8 30.318 6.054 -0.991
76 HE2 PHE 8 HE2 PHE 8 28.956 2.829 -3.341
77 HZ PHE 8 HZ PHE 8 30.323 4.767 -3.040
78 H ARG 9 HN ARG 9 24.634 2.344 -1.609
79 HA ARG 9 HA ARG 9 25.417 4.212 -3.591
80 HB2 ARG 9 HB2 ARG 9 24.527 1.359 -3.790
81 HB3 ARG 9 HB1 ARG 9 24.206 2.371 -5.233
82 HG2 ARG 9 HG2 ARG 9 26.635 2.881 -5.412
83 HG3 ARG 9 HG1 ARG 9 26.947 1.906 -3.940
84 HD2 ARG 9 HD2 ARG 9 26.184 -0.186 -5.081
85 HD3 ARG 9 HD1 ARG 9 25.724 0.773 -6.566
86 HE ARG 9 HE ARG 9 28.488 1.319 -5.923
87 HH11 ARG 9 HH11 ARG 9 26.435 -1.370 -7.186
88 HH12 ARG 9 HH12 ARG 9 27.714 -2.089 -8.106
89 HH21 ARG 9 HH21 ARG 9 30.179 0.304 -7.189
90 HH22 ARG 9 HH22 ARG 9 29.857 -1.129 -8.106
91 H ASP 10 HN ASP 10 22.925 3.810 -1.635
92 HA ASP 10 HA ASP 10 20.902 4.309 -3.569
93 HB2 ASP 10 HB2 ASP 10 21.192 3.822 -0.633
94 HB3 ASP 10 HB1 ASP 10 19.695 4.635 -1.207
95 H PHE 11 HN PHE 11 22.585 5.542 -0.974
96 HA PHE 11 HA PHE 11 21.044 8.004 -1.542
97 HB2 PHE 11 HB2 PHE 11 22.243 7.037 0.988
98 HB3 PHE 11 HB1 PHE 11 21.222 8.553 0.902
99 HD1 PHE 11 HD1 PHE 11 21.538 5.457 1.882
100 HD2 PHE 11 HD2 PHE 11 18.641 7.757 -0.136
101 HE1 PHE 11 HE1 PHE 11 20.009 3.842 2.398
102 HE2 PHE 11 HE2 PHE 11 16.959 6.082 0.457
103 HZ PHE 11 HZ PHE 11 17.598 4.087 1.765
104 H ILE 12 HN ILE 12 24.131 6.790 -0.721
105 HA ILE 12 HA ILE 12 25.022 9.170 0.276
106 HB ILE 12 HB ILE 12 26.285 6.714 -0.621
107 HG12 ILE 12 HG12 ILE 12 26.192 5.988 1.459
108 HG13 ILE 12 HG11 ILE 12 26.639 7.537 2.226
109 HG21 ILE 12 HG21 ILE 12 28.146 8.124 -1.142
110 HG22 ILE 12 HG22 ILE 12 28.504 7.591 0.546
111 HG23 ILE 12 HG23 ILE 12 27.840 9.235 0.257
112 HD11 ILE 12 HD11 ILE 12 23.990 6.312 1.394
113 HD12 ILE 12 HD12 ILE 12 24.110 8.118 1.640
114 HD13 ILE 12 HD13 ILE 12 24.487 7.029 2.989
115 H LEU 13 HN LEU 13 25.223 7.802 -2.741
116 HA LEU 13 HA LEU 13 26.920 9.615 -4.035
117 HB2 LEU 13 HB2 LEU 13 24.479 8.304 -5.275
118 HB3 LEU 13 HB1 LEU 13 26.061 8.655 -6.073
119 HG LEU 13 HG LEU 13 25.296 6.512 -4.060
120 HD11 LEU 13 HD11 LEU 13 24.587 6.035 -6.312
121 HD12 LEU 13 HD12 LEU 13 25.952 4.929 -5.899
122 HD13 LEU 13 HD13 LEU 13 26.239 6.343 -6.982
123 HD21 LEU 13 HD21 LEU 13 27.777 5.600 -4.495
124 HD22 LEU 13 HD22 LEU 13 27.456 6.821 -3.208
125 HD23 LEU 13 HD23 LEU 13 28.163 7.340 -4.800
126 H GLN 14 HN GLN 14 23.527 9.623 -3.229
127 HA GLN 14 HA GLN 14 22.956 12.013 -4.819
128 HB2 GLN 14 HB2 GLN 14 21.208 9.874 -3.511
129 HB3 GLN 14 HB1 GLN 14 20.490 11.423 -4.118
130 HG2 GLN 14 HG2 GLN 14 21.568 10.892 -6.420
131 HG3 GLN 14 HG1 GLN 14 22.001 9.257 -5.742
132 HE21 GLN 14 HE21 GLN 14 20.603 7.990 -7.063
133 HE22 GLN 14 HE22 GLN 14 18.875 8.074 -6.993
134 H ARG 15 HN ARG 15 24.155 11.651 -1.652
135 HA ARG 15 HA ARG 15 22.298 13.342 -0.267
136 HB2 ARG 15 HB2 ARG 15 25.263 12.723 0.376
137 HB3 ARG 15 HB1 ARG 15 24.209 13.722 1.447
138 HG2 ARG 15 HG2 ARG 15 22.707 11.821 1.832
139 HG3 ARG 15 HG1 ARG 15 23.589 10.861 0.622
140 HD2 ARG 15 HD2 ARG 15 24.286 10.010 2.853
141 HD3 ARG 15 HD1 ARG 15 25.681 10.955 2.140
142 HE ARG 15 HE ARG 15 24.072 12.787 3.702
143 HH11 ARG 15 HH11 ARG 15 26.255 9.950 4.207
144 HH12 ARG 15 HH12 ARG 15 26.753 10.453 5.787
145 HH21 ARG 15 HH21 ARG 15 24.784 13.412 5.841
146 HH22 ARG 15 HH22 ARG 15 25.911 12.433 6.721
147 H LYS 16 HN LYS 16 25.344 13.716 -1.943
148 HA LYS 16 HA LYS 16 25.339 16.601 -1.778
149 HB2 LYS 16 HB2 LYS 16 26.942 14.665 -3.540
150 HB3 LYS 16 HB1 LYS 16 27.189 16.454 -3.512
151 HG2 LYS 16 HG2 LYS 16 27.760 16.329 -1.063
152 HG3 LYS 16 HG1 LYS 16 27.531 14.543 -1.106
153 HD2 LYS 16 HD2 LYS 16 29.353 14.342 -2.793
154 HD3 LYS 16 HD1 LYS 16 29.578 16.126 -2.773
155 HE2 LYS 16 HE2 LYS 16 30.263 16.017 -0.340
156 HE3 LYS 16 HE1 LYS 16 30.031 14.219 -0.359
157 HZ1 LYS 16 HZ1 LYS 16 31.868 13.928 -1.632
158 HZ2 LYS 16 HZ2 LYS 16 32.343 15.307 -0.761
159 HZ3 LYS 16 HZ3 LYS 16 31.797 15.460 -2.361
160 H LYS 17 HN LYS 17 24.915 14.241 -4.465
161 HA LYS 17 HA LYS 17 22.651 15.241 -5.546
162 HB2 LYS 17 HB2 LYS 17 23.631 16.287 -7.786
163 HB3 LYS 17 HB1 LYS 17 23.428 17.343 -6.350
164 HG2 LYS 17 HG2 LYS 17 25.852 17.084 -5.767
165 HG3 LYS 17 HG1 LYS 17 26.078 15.986 -7.181
166 HD2 LYS 17 HD2 LYS 17 25.425 17.840 -8.719
167 HD3 LYS 17 HD1 LYS 17 25.182 18.926 -7.303
168 HE2 LYS 17 HE2 LYS 17 27.603 18.695 -6.696
169 HE3 LYS 17 HE1 LYS 17 27.855 17.588 -8.107
170 HZ1 LYS 17 HZ1 LYS 17 27.784 20.430 -8.009
171 HZ2 LYS 17 HZ2 LYS 17 26.636 19.848 -9.117
172 HZ3 LYS 17 HZ3 LYS 17 28.267 19.395 -9.266
Start of MODEL 17
1 H1 GLU 1 HT1 GLU 1 31.946 -7.495 -2.734
2 H2 GLU 1 HT2 GLU 1 31.256 -8.200 -4.117
3 H3 GLU 1 HT3 GLU 1 31.840 -9.186 -2.863
4 HA GLU 1 HA GLU 1 29.391 -7.645 -3.060
5 HB2 GLU 1 HB2 GLU 1 29.640 -10.242 -3.275
6 HB3 GLU 1 HB1 GLU 1 29.999 -10.257 -1.511
7 HG2 GLU 1 HG2 GLU 1 27.714 -9.268 -1.031
8 HG3 GLU 1 HG1 GLU 1 27.361 -9.212 -2.802
9 H MET 2 HN MET 2 28.713 -6.174 -1.536
10 HA MET 2 HA MET 2 29.838 -6.390 1.180
11 HB2 MET 2 HB2 MET 2 29.473 -3.818 -0.478
12 HB3 MET 2 HB1 MET 2 29.731 -3.801 1.307
13 HG2 MET 2 HG2 MET 2 31.941 -4.969 0.975
14 HG3 MET 2 HG1 MET 2 31.690 -4.942 -0.801
15 HE1 MET 2 HE1 MET 2 34.068 -3.939 -1.000
16 HE2 MET 2 HE2 MET 2 34.243 -3.901 0.789
17 HE3 MET 2 HE3 MET 2 34.636 -2.441 -0.183
18 H ARG 3 HN ARG 3 28.529 -5.025 2.716
19 HA ARG 3 HA ARG 3 25.767 -5.851 2.358
20 HB2 ARG 3 HB2 ARG 3 27.410 -6.565 4.284
21 HB3 ARG 3 HB1 ARG 3 27.198 -4.894 4.892
22 HG2 ARG 3 HG2 ARG 3 24.624 -6.404 4.353
23 HG3 ARG 3 HG1 ARG 3 25.670 -7.122 5.625
24 HD2 ARG 3 HD2 ARG 3 25.654 -5.008 6.935
25 HD3 ARG 3 HD1 ARG 3 24.761 -4.142 5.604
26 HE ARG 3 HE ARG 3 23.269 -6.506 6.443
27 HH11 ARG 3 HH11 ARG 3 24.106 -3.172 7.561
28 HH12 ARG 3 HH12 ARG 3 22.678 -3.001 8.526
29 HH21 ARG 3 HH21 ARG 3 21.363 -6.214 7.760
30 HH22 ARG 3 HH22 ARG 3 21.109 -4.744 8.639
31 H LEU 4 HN LEU 4 27.727 -2.974 3.040
32 HA LEU 4 HA LEU 4 25.333 -1.352 3.343
33 HB2 LEU 4 HB2 LEU 4 26.488 0.127 4.713
34 HB3 LEU 4 HB1 LEU 4 27.061 -1.502 5.203
35 HG LEU 4 HG LEU 4 28.945 -0.018 5.286
36 HD11 LEU 4 HD11 LEU 4 29.436 -1.552 2.662
37 HD12 LEU 4 HD12 LEU 4 29.357 -2.343 4.284
38 HD13 LEU 4 HD13 LEU 4 30.623 -1.101 3.946
39 HD21 LEU 4 HD21 LEU 4 29.420 1.759 3.921
40 HD22 LEU 4 HD22 LEU 4 27.745 1.515 3.294
41 HD23 LEU 4 HD23 LEU 4 29.141 0.820 2.402
42 H SER 5 HN SER 5 27.622 -2.079 1.004
43 HA SER 5 HA SER 5 27.992 0.596 0.135
44 HB2 SER 5 HB2 SER 5 29.704 -1.347 -0.190
45 HB3 SER 5 HB1 SER 5 28.707 -1.818 -1.612
46 HG SER 5 HG SER 5 29.215 0.839 -1.593
47 H LYS 6 HN LYS 6 25.463 -1.579 -0.221
48 HA LYS 6 HA LYS 6 24.670 -0.452 -2.795
49 HB2 LYS 6 HB2 LYS 6 23.015 -2.032 -2.848
50 HB3 LYS 6 HB1 LYS 6 24.251 -2.863 -1.854
51 HG2 LYS 6 HG2 LYS 6 21.952 -1.228 -0.594
52 HG3 LYS 6 HG1 LYS 6 21.740 -2.956 -1.045
53 HD2 LYS 6 HD2 LYS 6 23.454 -3.654 0.600
54 HD3 LYS 6 HD1 LYS 6 23.963 -1.950 0.903
55 HE2 LYS 6 HE2 LYS 6 22.592 -2.479 2.792
56 HE3 LYS 6 HE1 LYS 6 21.480 -1.541 1.722
57 HZ1 LYS 6 HZ1 LYS 6 21.589 -4.519 1.910
58 HZ2 LYS 6 HZ2 LYS 6 20.523 -3.613 0.949
59 HZ3 LYS 6 HZ3 LYS 6 20.434 -3.511 2.641
60 H PHE 7 HN PHE 7 24.521 0.457 0.464
61 HA PHE 7 HA PHE 7 21.911 1.714 0.303
62 HB2 PHE 7 HB2 PHE 7 21.639 1.164 2.586
63 HB3 PHE 7 HB1 PHE 7 23.234 0.294 2.515
64 HD1 PHE 7 HD1 PHE 7 21.617 3.534 3.311
65 HD2 PHE 7 HD2 PHE 7 25.077 1.221 3.297
66 HE1 PHE 7 HE1 PHE 7 22.930 5.463 3.757
67 HE2 PHE 7 HE2 PHE 7 26.399 3.067 3.757
68 HZ PHE 7 HZ PHE 7 25.309 5.204 3.914
69 H PHE 8 HN PHE 8 25.300 1.812 0.397
70 HA PHE 8 HA PHE 8 25.209 4.593 0.818
71 HB2 PHE 8 HB2 PHE 8 27.188 3.996 1.713
72 HB3 PHE 8 HB1 PHE 8 27.148 2.392 0.904
73 HD1 PHE 8 HD1 PHE 8 28.701 5.679 0.939
74 HD2 PHE 8 HD2 PHE 8 27.791 2.325 -1.450
75 HE1 PHE 8 HE1 PHE 8 30.125 6.477 -0.857
76 HE2 PHE 8 HE2 PHE 8 29.119 3.083 -3.143
77 HZ PHE 8 HZ PHE 8 30.290 5.154 -2.878
78 H ARG 9 HN ARG 9 24.779 2.364 -1.532
79 HA ARG 9 HA ARG 9 25.509 4.278 -3.493
80 HB2 ARG 9 HB2 ARG 9 24.781 1.377 -3.733
81 HB3 ARG 9 HB1 ARG 9 24.488 2.384 -5.187
82 HG2 ARG 9 HG2 ARG 9 26.889 2.990 -5.259
83 HG3 ARG 9 HG1 ARG 9 27.177 2.059 -3.756
84 HD2 ARG 9 HD2 ARG 9 26.574 -0.088 -4.890
85 HD3 ARG 9 HD1 ARG 9 26.153 0.822 -6.416
86 HE ARG 9 HE ARG 9 28.823 1.563 -5.719
87 HH11 ARG 9 HH11 ARG 9 27.061 -1.428 -6.711
88 HH12 ARG 9 HH12 ARG 9 28.440 -2.145 -7.477
89 HH21 ARG 9 HH21 ARG 9 30.653 0.546 -6.771
90 HH22 ARG 9 HH22 ARG 9 30.496 -1.012 -7.509
91 H ASP 10 HN ASP 10 22.989 3.723 -1.613
92 HA ASP 10 HA ASP 10 20.995 4.077 -3.609
93 HB2 ASP 10 HB2 ASP 10 21.227 3.628 -0.664
94 HB3 ASP 10 HB1 ASP 10 19.701 4.347 -1.285
95 H PHE 11 HN PHE 11 22.523 5.434 -0.982
96 HA PHE 11 HA PHE 11 20.853 7.790 -1.618
97 HB2 PHE 11 HB2 PHE 11 22.029 6.913 0.957
98 HB3 PHE 11 HB1 PHE 11 20.924 8.367 0.827
99 HD1 PHE 11 HD1 PHE 11 21.392 5.295 1.835
100 HD2 PHE 11 HD2 PHE 11 18.431 7.421 -0.278
101 HE1 PHE 11 HE1 PHE 11 19.939 3.600 2.316
102 HE2 PHE 11 HE2 PHE 11 16.829 5.658 0.276
103 HZ PHE 11 HZ PHE 11 17.539 3.708 1.614
104 H ILE 12 HN ILE 12 23.977 6.777 -0.677
105 HA ILE 12 HA ILE 12 24.677 9.218 0.330
106 HB ILE 12 HB ILE 12 26.134 6.839 -0.507
107 HG12 ILE 12 HG12 ILE 12 26.011 6.104 1.567
108 HG13 ILE 12 HG11 ILE 12 26.319 7.678 2.352
109 HG21 ILE 12 HG21 ILE 12 28.238 7.871 0.748
110 HG22 ILE 12 HG22 ILE 12 27.470 9.463 0.431
111 HG23 ILE 12 HG23 ILE 12 27.911 8.379 -0.954
112 HD11 ILE 12 HD11 ILE 12 24.189 7.030 3.036
113 HD12 ILE 12 HD12 ILE 12 23.801 6.272 1.422
114 HD13 ILE 12 HD13 ILE 12 23.783 8.073 1.651
115 H LEU 13 HN LEU 13 25.094 7.840 -2.677
116 HA LEU 13 HA LEU 13 26.726 9.764 -3.914
117 HB2 LEU 13 HB2 LEU 13 24.456 8.300 -5.282
118 HB3 LEU 13 HB1 LEU 13 26.076 8.714 -5.966
119 HG LEU 13 HG LEU 13 25.274 6.569 -3.967
120 HD11 LEU 13 HD11 LEU 13 26.109 4.997 -5.759
121 HD12 LEU 13 HD12 LEU 13 26.349 6.415 -6.845
122 HD13 LEU 13 HD13 LEU 13 24.695 6.012 -6.228
123 HD21 LEU 13 HD21 LEU 13 27.813 5.760 -4.269
124 HD22 LEU 13 HD22 LEU 13 27.378 6.985 -3.020
125 HD23 LEU 13 HD23 LEU 13 28.135 7.510 -4.585
126 H GLN 14 HN GLN 14 23.360 9.610 -3.142
127 HA GLN 14 HA GLN 14 22.654 11.904 -4.842
128 HB2 GLN 14 HB2 GLN 14 21.009 9.720 -3.427
129 HB3 GLN 14 HB1 GLN 14 20.235 11.165 -4.204
130 HG2 GLN 14 HG2 GLN 14 21.409 10.474 -6.416
131 HG3 GLN 14 HG1 GLN 14 21.946 8.962 -5.571
132 HE21 GLN 14 HE21 GLN 14 20.702 7.455 -6.769
133 HE22 GLN 14 HE22 GLN 14 18.971 7.404 -6.753
134 H ARG 15 HN ARG 15 23.816 11.533 -1.638
135 HA ARG 15 HA ARG 15 22.011 13.476 -0.413
136 HB2 ARG 15 HB2 ARG 15 24.818 12.488 0.517
137 HB3 ARG 15 HB1 ARG 15 23.760 13.594 1.470
138 HG2 ARG 15 HG2 ARG 15 22.054 11.832 1.710
139 HG3 ARG 15 HG1 ARG 15 22.973 10.770 0.616
140 HD2 ARG 15 HD2 ARG 15 23.392 9.914 2.890
141 HD3 ARG 15 HD1 ARG 15 24.909 10.768 2.356
142 HE ARG 15 HE ARG 15 23.264 12.712 3.711
143 HH11 ARG 15 HH11 ARG 15 25.072 9.683 4.488
144 HH12 ARG 15 HH12 ARG 15 25.380 10.135 6.131
145 HH21 ARG 15 HH21 ARG 15 23.709 13.268 5.940
146 HH22 ARG 15 HH22 ARG 15 24.599 12.188 6.961
147 H LYS 16 HN LYS 16 25.279 13.174 -1.726
148 HA LYS 16 HA LYS 16 25.301 16.063 -2.335
149 HB2 LYS 16 HB2 LYS 16 27.582 14.040 -1.917
150 HB3 LYS 16 HB1 LYS 16 27.832 15.694 -2.607
151 HG2 LYS 16 HG2 LYS 16 26.900 16.723 -0.542
152 HG3 LYS 16 HG1 LYS 16 26.607 15.093 0.164
153 HD2 LYS 16 HD2 LYS 16 29.034 14.595 0.061
154 HD3 LYS 16 HD1 LYS 16 29.351 16.212 -0.662
155 HE2 LYS 16 HE2 LYS 16 28.501 17.324 1.448
156 HE3 LYS 16 HE1 LYS 16 28.188 15.692 2.174
157 HZ1 LYS 16 HZ1 LYS 16 30.231 16.205 2.973
158 HZ2 LYS 16 HZ2 LYS 16 30.738 17.038 1.582
159 HZ3 LYS 16 HZ3 LYS 16 30.676 15.341 1.581
160 H LYS 17 HN LYS 17 23.874 15.626 -3.998
161 HA LYS 17 HA LYS 17 24.088 13.831 -6.070
162 HB2 LYS 17 HB2 LYS 17 23.113 16.758 -6.320
163 HB3 LYS 17 HB1 LYS 17 22.628 15.368 -7.364
164 HG2 LYS 17 HG2 LYS 17 21.544 14.262 -5.383
165 HG3 LYS 17 HG1 LYS 17 22.029 15.651 -4.340
166 HD2 LYS 17 HD2 LYS 17 20.645 17.195 -5.786
167 HD3 LYS 17 HD1 LYS 17 20.142 15.791 -6.795
168 HE2 LYS 17 HE2 LYS 17 19.019 14.743 -4.793
169 HE3 LYS 17 HE1 LYS 17 19.542 16.141 -3.765
170 HZ1 LYS 17 HZ1 LYS 17 17.264 15.910 -5.315
171 HZ2 LYS 17 HZ2 LYS 17 18.233 17.060 -6.103
172 HZ3 LYS 17 HZ3 LYS 17 17.821 17.273 -4.469
Start of MODEL 18
1 H1 GLU 1 HT1 GLU 1 28.080 -9.170 -3.708
2 H2 GLU 1 HT2 GLU 1 27.388 -8.505 -2.308
3 H3 GLU 1 HT3 GLU 1 28.544 -9.742 -2.177
4 HA GLU 1 HA GLU 1 30.252 -8.398 -2.389
5 HB2 GLU 1 HB2 GLU 1 28.519 -6.867 -4.443
6 HB3 GLU 1 HB1 GLU 1 30.133 -6.248 -3.924
7 HG2 GLU 1 HG2 GLU 1 31.237 -8.361 -4.757
8 HG3 GLU 1 HG1 GLU 1 29.630 -9.006 -5.271
9 H MET 2 HN MET 2 30.523 -7.596 -0.366
10 HA MET 2 HA MET 2 30.440 -6.345 1.410
11 HB2 MET 2 HB2 MET 2 29.125 -4.028 -0.151
12 HB3 MET 2 HB1 MET 2 30.030 -3.902 1.406
13 HG2 MET 2 HG2 MET 2 31.239 -4.730 -1.316
14 HG3 MET 2 HG1 MET 2 31.344 -3.110 -0.566
15 HE1 MET 2 HE1 MET 2 35.004 -4.519 -0.444
16 HE2 MET 2 HE2 MET 2 33.906 -3.216 -1.017
17 HE3 MET 2 HE3 MET 2 33.744 -4.881 -1.675
18 H ARG 3 HN ARG 3 28.275 -4.234 2.086
19 HA ARG 3 HA ARG 3 25.943 -5.881 2.358
20 HB2 ARG 3 HB2 ARG 3 27.721 -6.488 4.241
21 HB3 ARG 3 HB1 ARG 3 27.383 -4.855 4.883
22 HG2 ARG 3 HG2 ARG 3 24.897 -6.471 4.402
23 HG3 ARG 3 HG1 ARG 3 26.043 -7.273 5.522
24 HD2 ARG 3 HD2 ARG 3 25.325 -4.286 5.942
25 HD3 ARG 3 HD1 ARG 3 24.199 -5.601 6.520
26 HE ARG 3 HE ARG 3 26.784 -6.327 7.462
27 HH11 ARG 3 HH11 ARG 3 24.542 -3.529 7.917
28 HH12 ARG 3 HH12 ARG 3 25.104 -3.176 9.517
29 HH21 ARG 3 HH21 ARG 3 27.498 -5.801 9.624
30 HH22 ARG 3 HH22 ARG 3 26.795 -4.477 10.491
31 H LEU 4 HN LEU 4 27.750 -2.943 3.088
32 HA LEU 4 HA LEU 4 25.310 -1.393 3.375
33 HB2 LEU 4 HB2 LEU 4 26.425 0.106 4.767
34 HB3 LEU 4 HB1 LEU 4 27.036 -1.514 5.249
35 HG LEU 4 HG LEU 4 28.872 0.031 5.359
36 HD11 LEU 4 HD11 LEU 4 29.437 -1.509 2.754
37 HD12 LEU 4 HD12 LEU 4 29.373 -2.279 4.386
38 HD13 LEU 4 HD13 LEU 4 30.599 -1.002 4.039
39 HD21 LEU 4 HD21 LEU 4 29.311 1.816 4.003
40 HD22 LEU 4 HD22 LEU 4 27.664 1.516 3.328
41 HD23 LEU 4 HD23 LEU 4 29.107 0.863 2.483
42 H SER 5 HN SER 5 27.659 -2.068 1.086
43 HA SER 5 HA SER 5 28.032 0.578 0.190
44 HB2 SER 5 HB2 SER 5 29.733 -1.398 -0.075
45 HB3 SER 5 HB1 SER 5 28.747 -1.881 -1.502
46 HG SER 5 HG SER 5 29.275 0.761 -1.554
47 H LYS 6 HN LYS 6 25.490 -1.591 -0.187
48 HA LYS 6 HA LYS 6 24.732 -0.490 -2.781
49 HB2 LYS 6 HB2 LYS 6 23.080 -2.073 -2.838
50 HB3 LYS 6 HB1 LYS 6 24.317 -2.894 -1.838
51 HG2 LYS 6 HG2 LYS 6 22.003 -1.270 -0.587
52 HG3 LYS 6 HG1 LYS 6 21.803 -3.001 -1.033
53 HD2 LYS 6 HD2 LYS 6 23.539 -3.675 0.612
54 HD3 LYS 6 HD1 LYS 6 23.998 -1.961 0.926
55 HE2 LYS 6 HE2 LYS 6 22.628 -2.561 2.802
56 HE3 LYS 6 HE1 LYS 6 21.516 -1.612 1.742
57 HZ1 LYS 6 HZ1 LYS 6 20.510 -3.636 2.633
58 HZ2 LYS 6 HZ2 LYS 6 21.658 -4.594 1.828
59 HZ3 LYS 6 HZ3 LYS 6 20.561 -3.653 0.935
60 H PHE 7 HN PHE 7 24.531 0.437 0.469
61 HA PHE 7 HA PHE 7 21.917 1.683 0.254
62 HB2 PHE 7 HB2 PHE 7 21.603 1.131 2.531
63 HB3 PHE 7 HB1 PHE 7 23.203 0.269 2.491
64 HD1 PHE 7 HD1 PHE 7 21.557 3.504 3.251
65 HD2 PHE 7 HD2 PHE 7 25.028 1.201 3.316
66 HE1 PHE 7 HE1 PHE 7 22.853 5.436 3.724
67 HE2 PHE 7 HE2 PHE 7 26.330 3.056 3.800
68 HZ PHE 7 HZ PHE 7 25.230 5.186 3.933
69 H PHE 8 HN PHE 8 25.303 1.792 0.424
70 HA PHE 8 HA PHE 8 25.202 4.572 0.837
71 HB2 PHE 8 HB2 PHE 8 27.164 3.970 1.769
72 HB3 PHE 8 HB1 PHE 8 27.139 2.368 0.955
73 HD1 PHE 8 HD1 PHE 8 28.691 5.655 1.027
74 HD2 PHE 8 HD2 PHE 8 27.825 2.308 -1.392
75 HE1 PHE 8 HE1 PHE 8 30.148 6.457 -0.737
76 HE2 PHE 8 HE2 PHE 8 29.186 3.072 -3.055
77 HZ PHE 8 HZ PHE 8 30.352 5.142 -2.762
78 H ARG 9 HN ARG 9 24.823 2.335 -1.521
79 HA ARG 9 HA ARG 9 25.595 4.248 -3.467
80 HB2 ARG 9 HB2 ARG 9 24.910 1.341 -3.688
81 HB3 ARG 9 HB1 ARG 9 24.563 2.316 -5.147
82 HG2 ARG 9 HG2 ARG 9 26.957 2.979 -5.281
83 HG3 ARG 9 HG1 ARG 9 27.288 2.087 -3.768
84 HD2 ARG 9 HD2 ARG 9 28.030 0.659 -5.626
85 HD3 ARG 9 HD1 ARG 9 26.504 -0.087 -4.956
86 HE ARG 9 HE ARG 9 25.837 1.752 -7.118
87 HH11 ARG 9 HH11 ARG 9 27.334 -1.492 -6.579
88 HH12 ARG 9 HH12 ARG 9 26.884 -2.100 -8.137
89 HH21 ARG 9 HH21 ARG 9 25.256 0.874 -9.206
90 HH22 ARG 9 HH22 ARG 9 25.694 -0.744 -9.640
91 H ASP 10 HN ASP 10 23.031 3.689 -1.644
92 HA ASP 10 HA ASP 10 21.084 4.038 -3.684
93 HB2 ASP 10 HB2 ASP 10 21.248 3.596 -0.733
94 HB3 ASP 10 HB1 ASP 10 19.737 4.311 -1.394
95 H PHE 11 HN PHE 11 22.549 5.401 -1.028
96 HA PHE 11 HA PHE 11 20.890 7.754 -1.705
97 HB2 PHE 11 HB2 PHE 11 22.011 6.884 0.896
98 HB3 PHE 11 HB1 PHE 11 20.905 8.334 0.739
99 HD1 PHE 11 HD1 PHE 11 21.357 5.271 1.775
100 HD2 PHE 11 HD2 PHE 11 18.442 7.373 -0.428
101 HE1 PHE 11 HE1 PHE 11 19.897 3.573 2.227
102 HE2 PHE 11 HE2 PHE 11 16.834 5.606 0.093
103 HZ PHE 11 HZ PHE 11 17.517 3.667 1.462
104 H ILE 12 HN ILE 12 23.994 6.750 -0.681
105 HA ILE 12 HA ILE 12 24.664 9.193 0.334
106 HB ILE 12 HB ILE 12 26.146 6.815 -0.465
107 HG12 ILE 12 HG12 ILE 12 25.979 6.084 1.607
108 HG13 ILE 12 HG11 ILE 12 26.264 7.661 2.397
109 HG21 ILE 12 HG21 ILE 12 27.457 9.443 0.500
110 HG22 ILE 12 HG22 ILE 12 27.932 8.359 -0.871
111 HG23 ILE 12 HG23 ILE 12 28.220 7.846 0.833
112 HD11 ILE 12 HD11 ILE 12 23.742 8.045 1.639
113 HD12 ILE 12 HD12 ILE 12 24.116 7.013 3.030
114 HD13 ILE 12 HD13 ILE 12 23.772 6.246 1.405
115 H LEU 13 HN LEU 13 25.159 7.811 -2.660
116 HA LEU 13 HA LEU 13 26.818 9.731 -3.860
117 HB2 LEU 13 HB2 LEU 13 24.575 8.278 -5.281
118 HB3 LEU 13 HB1 LEU 13 26.211 8.686 -5.929
119 HG LEU 13 HG LEU 13 25.355 6.538 -3.954
120 HD11 LEU 13 HD11 LEU 13 24.825 5.986 -6.229
121 HD12 LEU 13 HD12 LEU 13 26.229 4.968 -5.734
122 HD13 LEU 13 HD13 LEU 13 26.489 6.390 -6.809
123 HD21 LEU 13 HD21 LEU 13 27.441 6.952 -2.962
124 HD22 LEU 13 HD22 LEU 13 28.235 7.459 -4.514
125 HD23 LEU 13 HD23 LEU 13 27.891 5.715 -4.197
126 H GLN 14 HN GLN 14 23.423 9.571 -3.198
127 HA GLN 14 HA GLN 14 22.775 11.875 -4.909
128 HB2 GLN 14 HB2 GLN 14 21.065 9.697 -3.555
129 HB3 GLN 14 HB1 GLN 14 20.339 11.128 -4.406
130 HG2 GLN 14 HG2 GLN 14 21.628 10.387 -6.533
131 HG3 GLN 14 HG1 GLN 14 22.111 8.890 -5.631
132 HE21 GLN 14 HE21 GLN 14 20.763 8.286 -7.850
133 HE22 GLN 14 HE22 GLN 14 19.106 7.874 -7.559
134 H ARG 15 HN ARG 15 23.792 11.497 -1.646
135 HA ARG 15 HA ARG 15 21.906 13.373 -0.465
136 HB2 ARG 15 HB2 ARG 15 24.736 12.506 0.507
137 HB3 ARG 15 HB1 ARG 15 23.629 13.576 1.444
138 HG2 ARG 15 HG2 ARG 15 21.982 11.757 1.667
139 HG3 ARG 15 HG1 ARG 15 22.950 10.728 0.586
140 HD2 ARG 15 HD2 ARG 15 23.360 9.891 2.875
141 HD3 ARG 15 HD1 ARG 15 24.860 10.781 2.348
142 HE ARG 15 HE ARG 15 23.148 12.687 3.678
143 HH11 ARG 15 HH11 ARG 15 25.048 9.723 4.486
144 HH12 ARG 15 HH12 ARG 15 25.340 10.200 6.125
145 HH21 ARG 15 HH21 ARG 15 23.573 13.276 5.904
146 HH22 ARG 15 HH22 ARG 15 24.494 12.233 6.936
147 H LYS 16 HN LYS 16 25.216 13.261 -1.692
148 HA LYS 16 HA LYS 16 25.078 16.145 -2.308
149 HB2 LYS 16 HB2 LYS 16 27.470 14.274 -1.809
150 HB3 LYS 16 HB1 LYS 16 27.634 15.937 -2.501
151 HG2 LYS 16 HG2 LYS 16 26.577 16.913 -0.469
152 HG3 LYS 16 HG1 LYS 16 26.367 15.269 0.237
153 HD2 LYS 16 HD2 LYS 16 28.823 14.928 0.210
154 HD3 LYS 16 HD1 LYS 16 29.058 16.559 -0.511
155 HE2 LYS 16 HE2 LYS 16 28.074 17.621 1.568
156 HE3 LYS 16 HE1 LYS 16 27.845 15.975 2.292
157 HZ1 LYS 16 HZ1 LYS 16 29.823 16.646 3.150
158 HZ2 LYS 16 HZ2 LYS 16 30.327 17.470 1.753
159 HZ3 LYS 16 HZ3 LYS 16 30.361 15.772 1.797
160 H LYS 17 HN LYS 17 23.750 15.659 -4.017
161 HA LYS 17 HA LYS 17 24.076 13.881 -6.075
162 HB2 LYS 17 HB2 LYS 17 23.082 16.800 -6.350
163 HB3 LYS 17 HB1 LYS 17 22.679 15.428 -7.451
164 HG2 LYS 17 HG2 LYS 17 21.498 14.263 -5.559
165 HG3 LYS 17 HG1 LYS 17 21.898 15.638 -4.462
166 HD2 LYS 17 HD2 LYS 17 20.583 17.194 -5.955
167 HD3 LYS 17 HD1 LYS 17 20.169 15.811 -7.029
168 HE2 LYS 17 HE2 LYS 17 18.931 14.698 -5.131
169 HE3 LYS 17 HE1 LYS 17 19.360 16.081 -4.041
170 HZ1 LYS 17 HZ1 LYS 17 17.343 16.718 -4.760
171 HZ2 LYS 17 HZ2 LYS 17 17.461 15.948 -6.270
172 HZ3 LYS 17 HZ3 LYS 17 18.265 17.420 -6.002
Start of MODEL 19
1 H1 GLU 1 HT1 GLU 1 32.450 -8.228 -1.779
2 H2 GLU 1 HT2 GLU 1 31.952 -9.171 -3.100
3 H3 GLU 1 HT3 GLU 1 32.252 -9.905 -1.598
4 HA GLU 1 HA GLU 1 29.976 -8.331 -2.503
5 HB2 GLU 1 HB2 GLU 1 30.405 -10.837 -0.742
6 HB3 GLU 1 HB1 GLU 1 28.797 -10.021 -0.833
7 HG2 GLU 1 HG2 GLU 1 28.723 -10.401 -3.331
8 HG3 GLU 1 HG1 GLU 1 30.332 -11.222 -3.256
9 H MET 2 HN MET 2 28.933 -6.741 -1.309
10 HA MET 2 HA MET 2 29.758 -6.418 1.502
11 HB2 MET 2 HB2 MET 2 29.438 -4.180 -0.594
12 HB3 MET 2 HB1 MET 2 29.499 -3.860 1.177
13 HG2 MET 2 HG2 MET 2 31.791 -4.917 1.263
14 HG3 MET 2 HG1 MET 2 31.732 -5.188 -0.509
15 HE1 MET 2 HE1 MET 2 34.473 -2.439 -0.013
16 HE2 MET 2 HE2 MET 2 34.066 -4.067 -0.655
17 HE3 MET 2 HE3 MET 2 34.044 -3.770 1.118
18 H ARG 3 HN ARG 3 28.249 -5.102 2.734
19 HA ARG 3 HA ARG 3 25.527 -5.970 2.119
20 HB2 ARG 3 HB2 ARG 3 26.944 -6.744 4.181
21 HB3 ARG 3 HB1 ARG 3 26.784 -5.059 4.765
22 HG2 ARG 3 HG2 ARG 3 24.151 -6.348 4.059
23 HG3 ARG 3 HG1 ARG 3 25.063 -7.231 5.331
24 HD2 ARG 3 HD2 ARG 3 25.188 -5.180 6.751
25 HD3 ARG 3 HD1 ARG 3 24.400 -4.185 5.443
26 HE ARG 3 HE ARG 3 22.639 -6.380 5.994
27 HH11 ARG 3 HH11 ARG 3 23.967 -3.547 7.804
28 HH12 ARG 3 HH12 ARG 3 22.576 -3.385 8.823
29 HH21 ARG 3 HH21 ARG 3 20.788 -6.107 7.401
30 HH22 ARG 3 HH22 ARG 3 20.761 -4.849 8.592
31 H LEU 4 HN LEU 4 27.508 -3.172 2.896
32 HA LEU 4 HA LEU 4 25.196 -1.445 3.137
33 HB2 LEU 4 HB2 LEU 4 26.425 -0.005 4.492
34 HB3 LEU 4 HB1 LEU 4 26.904 -1.656 5.007
35 HG LEU 4 HG LEU 4 28.867 -0.264 5.075
36 HD11 LEU 4 HD11 LEU 4 29.287 -1.882 2.489
37 HD12 LEU 4 HD12 LEU 4 29.162 -2.629 4.131
38 HD13 LEU 4 HD13 LEU 4 30.493 -1.463 3.766
39 HD21 LEU 4 HD21 LEU 4 27.771 1.299 3.058
40 HD22 LEU 4 HD22 LEU 4 29.106 0.493 2.166
41 HD23 LEU 4 HD23 LEU 4 29.466 1.442 3.661
42 H SER 5 HN SER 5 27.421 -2.295 0.765
43 HA SER 5 HA SER 5 27.938 0.354 -0.104
44 HB2 SER 5 HB2 SER 5 29.225 -0.487 -1.976
45 HB3 SER 5 HB1 SER 5 29.604 -1.534 -0.564
46 HG SER 5 HG SER 5 28.648 -2.213 -2.932
47 H LYS 6 HN LYS 6 25.273 -1.644 -0.449
48 HA LYS 6 HA LYS 6 24.502 -0.415 -2.987
49 HB2 LYS 6 HB2 LYS 6 22.754 -1.890 -3.040
50 HB3 LYS 6 HB1 LYS 6 23.959 -2.815 -2.093
51 HG2 LYS 6 HG2 LYS 6 21.783 -1.083 -0.748
52 HG3 LYS 6 HG1 LYS 6 21.469 -2.789 -1.224
53 HD2 LYS 6 HD2 LYS 6 23.189 -3.604 0.369
54 HD3 LYS 6 HD1 LYS 6 23.778 -1.932 0.701
55 HE2 LYS 6 HE2 LYS 6 22.408 -2.468 2.603
56 HE3 LYS 6 HE1 LYS 6 21.346 -1.420 1.586
57 HZ1 LYS 6 HZ1 LYS 6 20.424 -3.569 0.659
58 HZ2 LYS 6 HZ2 LYS 6 20.043 -3.215 2.276
59 HZ3 LYS 6 HZ3 LYS 6 21.230 -4.376 1.917
60 H PHE 7 HN PHE 7 24.458 0.444 0.290
61 HA PHE 7 HA PHE 7 21.923 1.858 0.190
62 HB2 PHE 7 HB2 PHE 7 21.656 1.278 2.469
63 HB3 PHE 7 HB1 PHE 7 23.202 0.326 2.361
64 HD1 PHE 7 HD1 PHE 7 21.770 3.637 3.250
65 HD2 PHE 7 HD2 PHE 7 25.108 1.157 3.105
66 HE1 PHE 7 HE1 PHE 7 23.195 5.496 3.689
67 HE2 PHE 7 HE2 PHE 7 26.529 2.926 3.571
68 HZ PHE 7 HZ PHE 7 25.559 5.107 3.788
69 H PHE 8 HN PHE 8 25.316 1.746 0.227
70 HA PHE 8 HA PHE 8 25.403 4.520 0.691
71 HB2 PHE 8 HB2 PHE 8 27.363 3.789 1.533
72 HB3 PHE 8 HB1 PHE 8 27.210 2.205 0.698
73 HD1 PHE 8 HD1 PHE 8 28.935 5.415 0.735
74 HD2 PHE 8 HD2 PHE 8 27.817 2.122 -1.655
75 HE1 PHE 8 HE1 PHE 8 30.353 6.160 -1.087
76 HE2 PHE 8 HE2 PHE 8 29.140 2.831 -3.374
77 HZ PHE 8 HZ PHE 8 30.411 4.844 -3.119
78 H ARG 9 HN ARG 9 24.789 2.366 -1.688
79 HA ARG 9 HA ARG 9 25.588 4.275 -3.633
80 HB2 ARG 9 HB2 ARG 9 24.726 1.418 -3.878
81 HB3 ARG 9 HB1 ARG 9 24.395 2.444 -5.308
82 HG2 ARG 9 HG2 ARG 9 26.839 2.995 -5.438
83 HG3 ARG 9 HG1 ARG 9 27.130 1.935 -4.018
84 HD2 ARG 9 HD2 ARG 9 26.374 -0.085 -5.278
85 HD3 ARG 9 HD1 ARG 9 25.906 0.952 -6.705
86 HE ARG 9 HE ARG 9 28.684 1.440 -6.032
87 HH11 ARG 9 HH11 ARG 9 26.587 -1.101 -7.519
88 HH12 ARG 9 HH12 ARG 9 27.855 -1.760 -8.499
89 HH21 ARG 9 HH21 ARG 9 30.361 0.503 -7.391
90 HH22 ARG 9 HH22 ARG 9 30.009 -0.842 -8.423
91 H ASP 10 HN ASP 10 23.070 3.828 -1.717
92 HA ASP 10 HA ASP 10 21.074 4.342 -3.680
93 HB2 ASP 10 HB2 ASP 10 21.320 3.790 -0.752
94 HB3 ASP 10 HB1 ASP 10 19.823 4.605 -1.326
95 H PHE 11 HN PHE 11 22.697 5.538 -1.020
96 HA PHE 11 HA PHE 11 21.129 7.996 -1.546
97 HB2 PHE 11 HB2 PHE 11 22.305 6.959 0.971
98 HB3 PHE 11 HB1 PHE 11 21.277 8.475 0.921
99 HD1 PHE 11 HD1 PHE 11 21.599 5.341 1.760
100 HD2 PHE 11 HD2 PHE 11 18.703 7.724 -0.144
101 HE1 PHE 11 HE1 PHE 11 20.085 3.707 2.208
102 HE2 PHE 11 HE2 PHE 11 17.022 6.023 0.379
103 HZ PHE 11 HZ PHE 11 17.665 3.972 1.597
104 H ILE 12 HN ILE 12 24.228 6.790 -0.779
105 HA ILE 12 HA ILE 12 25.078 9.164 0.298
106 HB ILE 12 HB ILE 12 26.386 6.739 -0.630
107 HG12 ILE 12 HG12 ILE 12 26.257 5.972 1.427
108 HG13 ILE 12 HG11 ILE 12 26.714 7.500 2.232
109 HG21 ILE 12 HG21 ILE 12 28.582 7.634 0.555
110 HG22 ILE 12 HG22 ILE 12 27.885 9.272 0.317
111 HG23 ILE 12 HG23 ILE 12 28.217 8.210 -1.116
112 HD11 ILE 12 HD11 ILE 12 24.566 6.995 2.987
113 HD12 ILE 12 HD12 ILE 12 24.063 6.303 1.375
114 HD13 ILE 12 HD13 ILE 12 24.181 8.104 1.643
115 H LEU 13 HN LEU 13 25.260 7.859 -2.744
116 HA LEU 13 HA LEU 13 26.906 9.769 -4.002
117 HB2 LEU 13 HB2 LEU 13 24.550 8.380 -5.303
118 HB3 LEU 13 HB1 LEU 13 26.144 8.780 -6.049
119 HG LEU 13 HG LEU 13 25.386 6.594 -4.073
120 HD11 LEU 13 HD11 LEU 13 26.089 5.047 -5.917
121 HD12 LEU 13 HD12 LEU 13 26.406 6.470 -6.977
122 HD13 LEU 13 HD13 LEU 13 24.733 6.148 -6.364
123 HD21 LEU 13 HD21 LEU 13 28.244 7.497 -4.775
124 HD22 LEU 13 HD22 LEU 13 27.896 5.749 -4.480
125 HD23 LEU 13 HD23 LEU 13 27.535 6.960 -3.193
126 H GLN 14 HN GLN 14 23.567 9.667 -3.060
127 HA GLN 14 HA GLN 14 22.879 12.048 -4.628
128 HB2 GLN 14 HB2 GLN 14 21.239 9.784 -3.449
129 HB3 GLN 14 HB1 GLN 14 20.430 11.369 -3.778
130 HG2 GLN 14 HG2 GLN 14 21.432 11.207 -6.206
131 HG3 GLN 14 HG1 GLN 14 21.847 9.475 -5.780
132 HE21 GLN 14 HE21 GLN 14 20.344 8.274 -6.993
133 HE22 GLN 14 HE22 GLN 14 18.624 8.453 -6.897
134 H ARG 15 HN ARG 15 24.196 11.675 -1.558
135 HA ARG 15 HA ARG 15 22.426 13.426 -0.079
136 HB2 ARG 15 HB2 ARG 15 25.426 12.738 0.379
137 HB3 ARG 15 HB1 ARG 15 24.445 13.752 1.507
138 HG2 ARG 15 HG2 ARG 15 22.925 11.869 1.960
139 HG3 ARG 15 HG1 ARG 15 23.729 10.901 0.704
140 HD2 ARG 15 HD2 ARG 15 24.518 10.007 2.881
141 HD3 ARG 15 HD1 ARG 15 25.894 10.959 2.134
142 HE ARG 15 HE ARG 15 24.358 12.773 3.790
143 HH11 ARG 15 HH11 ARG 15 26.533 9.909 4.173
144 HH12 ARG 15 HH12 ARG 15 27.093 10.385 5.743
145 HH21 ARG 15 HH21 ARG 15 25.151 13.358 5.915
146 HH22 ARG 15 HH22 ARG 15 26.301 12.356 6.736
147 H LYS 16 HN LYS 16 25.272 13.585 -2.114
148 HA LYS 16 HA LYS 16 25.508 16.479 -2.082
149 HB2 LYS 16 HB2 LYS 16 26.920 14.350 -3.762
150 HB3 LYS 16 HB1 LYS 16 27.306 16.115 -3.801
151 HG2 LYS 16 HG2 LYS 16 27.893 16.022 -1.348
152 HG3 LYS 16 HG1 LYS 16 27.548 14.255 -1.349
153 HD2 LYS 16 HD2 LYS 16 29.331 13.896 -3.049
154 HD3 LYS 16 HD1 LYS 16 29.670 15.663 -3.083
155 HE2 LYS 16 HE2 LYS 16 30.385 15.572 -0.655
156 HE3 LYS 16 HE1 LYS 16 30.044 13.792 -0.626
157 HZ1 LYS 16 HZ1 LYS 16 31.822 14.796 -2.726
158 HZ2 LYS 16 HZ2 LYS 16 31.871 13.354 -1.831
159 HZ3 LYS 16 HZ3 LYS 16 32.412 14.805 -1.133
160 H LYS 17 HN LYS 17 23.909 13.979 -3.996
161 HA LYS 17 HA LYS 17 23.118 16.049 -5.910
162 HB2 LYS 17 HB2 LYS 17 23.761 13.119 -6.493
163 HB3 LYS 17 HB1 LYS 17 23.014 14.245 -7.688
164 HG2 LYS 17 HG2 LYS 17 25.007 15.741 -7.576
165 HG3 LYS 17 HG1 LYS 17 25.768 14.688 -6.326
166 HD2 LYS 17 HD2 LYS 17 25.849 12.794 -7.988
167 HD3 LYS 17 HD1 LYS 17 25.057 13.819 -9.231
168 HE2 LYS 17 HE2 LYS 17 27.774 14.554 -7.920
169 HE3 LYS 17 HE1 LYS 17 27.629 13.582 -9.440
170 HZ1 LYS 17 HZ1 LYS 17 27.091 16.422 -8.955
171 HZ2 LYS 17 HZ2 LYS 17 26.128 15.624 -10.103
172 HZ3 LYS 17 HZ3 LYS 17 27.817 15.644 -10.279
Start of MODEL 20
1 H1 GLU 1 HT1 GLU 1 31.347 -9.390 -3.251
2 H2 GLU 1 HT2 GLU 1 32.007 -10.126 -1.870
3 H3 GLU 1 HT3 GLU 1 32.063 -8.437 -2.042
4 HA GLU 1 HA GLU 1 29.453 -8.887 -2.285
5 HB2 GLU 1 HB2 GLU 1 30.657 -10.972 -0.350
6 HB3 GLU 1 HB1 GLU 1 28.978 -10.359 -0.112
7 HG2 GLU 1 HG2 GLU 1 28.335 -11.170 -2.421
8 HG3 GLU 1 HG1 GLU 1 30.011 -11.794 -2.670
9 H MET 2 HN MET 2 28.554 -7.145 -1.229
10 HA MET 2 HA MET 2 29.875 -6.227 1.244
11 HB2 MET 2 HB2 MET 2 28.615 -4.334 -0.844
12 HB3 MET 2 HB1 MET 2 29.463 -3.859 0.676
13 HG2 MET 2 HG2 MET 2 31.167 -3.466 -0.828
14 HG3 MET 2 HG1 MET 2 31.539 -5.174 -0.441
15 HE1 MET 2 HE1 MET 2 33.032 -5.486 -2.450
16 HE2 MET 2 HE2 MET 2 32.799 -3.748 -2.845
17 HE3 MET 2 HE3 MET 2 32.644 -4.990 -4.134
18 H ARG 3 HN ARG 3 28.304 -4.508 2.305
19 HA ARG 3 HA ARG 3 25.631 -5.700 2.368
20 HB2 ARG 3 HB2 ARG 3 27.375 -6.495 4.170
21 HB3 ARG 3 HB1 ARG 3 27.322 -4.813 4.778
22 HG2 ARG 3 HG2 ARG 3 24.615 -6.135 4.521
23 HG3 ARG 3 HG1 ARG 3 25.739 -6.964 5.653
24 HD2 ARG 3 HD2 ARG 3 26.083 -4.815 6.931
25 HD3 ARG 3 HD1 ARG 3 24.975 -3.945 5.776
26 HE ARG 3 HE ARG 3 23.557 -6.230 6.820
27 HH11 ARG 3 HH11 ARG 3 24.900 -3.098 8.014
28 HH12 ARG 3 HH12 ARG 3 23.739 -2.937 9.288
29 HH21 ARG 3 HH21 ARG 3 22.017 -5.962 8.563
30 HH22 ARG 3 HH22 ARG 3 22.090 -4.579 9.602
31 H LEU 4 HN LEU 4 27.784 -2.967 2.815
32 HA LEU 4 HA LEU 4 25.503 -1.206 3.182
33 HB2 LEU 4 HB2 LEU 4 26.766 0.227 4.436
34 HB3 LEU 4 HB1 LEU 4 27.312 -1.402 4.937
35 HG LEU 4 HG LEU 4 29.244 0.028 4.890
36 HD11 LEU 4 HD11 LEU 4 29.559 -1.609 2.300
37 HD12 LEU 4 HD12 LEU 4 29.523 -2.345 3.951
38 HD13 LEU 4 HD13 LEU 4 30.818 -1.163 3.517
39 HD21 LEU 4 HD21 LEU 4 29.321 0.757 1.969
40 HD22 LEU 4 HD22 LEU 4 29.728 1.731 3.433
41 HD23 LEU 4 HD23 LEU 4 28.009 1.545 2.913
42 H SER 5 HN SER 5 27.687 -2.095 0.737
43 HA SER 5 HA SER 5 28.076 0.532 -0.242
44 HB2 SER 5 HB2 SER 5 29.657 -1.540 -0.597
45 HB3 SER 5 HB1 SER 5 28.585 -1.926 -1.992
46 HG SER 5 HG SER 5 29.462 0.702 -1.796
47 H LYS 6 HN LYS 6 25.408 -1.438 -0.472
48 HA LYS 6 HA LYS 6 24.540 -0.273 -3.028
49 HB2 LYS 6 HB2 LYS 6 22.342 -1.562 -1.879
50 HB3 LYS 6 HB1 LYS 6 23.441 -2.193 -3.151
51 HG2 LYS 6 HG2 LYS 6 23.614 -3.834 -1.531
52 HG3 LYS 6 HG1 LYS 6 25.026 -2.780 -1.310
53 HD2 LYS 6 HD2 LYS 6 23.897 -3.743 0.790
54 HD3 LYS 6 HD1 LYS 6 24.421 -2.043 0.756
55 HE2 LYS 6 HE2 LYS 6 22.411 -2.129 1.996
56 HE3 LYS 6 HE1 LYS 6 21.958 -1.390 0.412
57 HZ1 LYS 6 HZ1 LYS 6 21.193 -3.966 1.563
58 HZ2 LYS 6 HZ2 LYS 6 21.485 -3.963 -0.109
59 HZ3 LYS 6 HZ3 LYS 6 20.324 -2.915 0.551
60 H PHE 7 HN PHE 7 24.580 0.470 0.235
61 HA PHE 7 HA PHE 7 22.003 1.798 0.250
62 HB2 PHE 7 HB2 PHE 7 21.835 1.172 2.533
63 HB3 PHE 7 HB1 PHE 7 23.425 0.309 2.376
64 HD1 PHE 7 HD1 PHE 7 21.850 3.544 3.319
65 HD2 PHE 7 HD2 PHE 7 25.296 1.238 3.046
66 HE1 PHE 7 HE1 PHE 7 23.202 5.467 3.714
67 HE2 PHE 7 HE2 PHE 7 26.652 3.062 3.454
68 HZ PHE 7 HZ PHE 7 25.590 5.194 3.720
69 H PHE 8 HN PHE 8 25.428 1.792 0.161
70 HA PHE 8 HA PHE 8 25.414 4.544 0.616
71 HB2 PHE 8 HB2 PHE 8 27.430 3.948 1.410
72 HB3 PHE 8 HB1 PHE 8 27.338 2.352 0.599
73 HD1 PHE 8 HD1 PHE 8 28.903 5.631 0.556
74 HD2 PHE 8 HD2 PHE 8 27.871 2.275 -1.777
75 HE1 PHE 8 HE1 PHE 8 30.232 6.426 -1.309
76 HE2 PHE 8 HE2 PHE 8 29.113 3.028 -3.537
77 HZ PHE 8 HZ PHE 8 30.297 5.099 -3.335
78 H ARG 9 HN ARG 9 24.864 2.365 -1.744
79 HA ARG 9 HA ARG 9 25.509 4.332 -3.698
80 HB2 ARG 9 HB2 ARG 9 24.750 1.443 -3.971
81 HB3 ARG 9 HB1 ARG 9 24.391 2.484 -5.385
82 HG2 ARG 9 HG2 ARG 9 26.813 3.092 -5.514
83 HG3 ARG 9 HG1 ARG 9 27.134 2.041 -4.097
84 HD2 ARG 9 HD2 ARG 9 26.424 0.002 -5.359
85 HD3 ARG 9 HD1 ARG 9 25.956 1.035 -6.792
86 HE ARG 9 HE ARG 9 28.708 1.587 -6.072
87 HH11 ARG 9 HH11 ARG 9 26.702 -1.006 -7.589
88 HH12 ARG 9 HH12 ARG 9 28.004 -1.638 -8.539
89 HH21 ARG 9 HH21 ARG 9 30.428 0.693 -7.383
90 HH22 ARG 9 HH22 ARG 9 30.138 -0.663 -8.420
91 H ASP 10 HN ASP 10 23.061 3.753 -1.714
92 HA ASP 10 HA ASP 10 20.985 4.162 -3.614
93 HB2 ASP 10 HB2 ASP 10 21.322 3.672 -0.690
94 HB3 ASP 10 HB1 ASP 10 19.803 4.463 -1.228
95 H PHE 11 HN PHE 11 22.666 5.433 -1.044
96 HA PHE 11 HA PHE 11 20.987 7.840 -1.575
97 HB2 PHE 11 HB2 PHE 11 22.265 6.914 0.934
98 HB3 PHE 11 HB1 PHE 11 21.194 8.397 0.869
99 HD1 PHE 11 HD1 PHE 11 21.628 5.296 1.801
100 HD2 PHE 11 HD2 PHE 11 18.624 7.542 -0.110
101 HE1 PHE 11 HE1 PHE 11 20.163 3.635 2.329
102 HE2 PHE 11 HE2 PHE 11 17.004 5.813 0.500
103 HZ PHE 11 HZ PHE 11 17.730 3.819 1.763
104 H ILE 12 HN ILE 12 24.136 6.792 -0.778
105 HA ILE 12 HA ILE 12 24.901 9.210 0.231
106 HB ILE 12 HB ILE 12 26.291 6.831 -0.717
107 HG12 ILE 12 HG12 ILE 12 26.245 6.062 1.348
108 HG13 ILE 12 HG11 ILE 12 26.626 7.616 2.142
109 HG21 ILE 12 HG21 ILE 12 28.066 8.363 -1.223
110 HG22 ILE 12 HG22 ILE 12 28.466 7.820 0.453
111 HG23 ILE 12 HG23 ILE 12 27.703 9.427 0.199
112 HD11 ILE 12 HD11 ILE 12 24.061 8.067 1.558
113 HD12 ILE 12 HD12 ILE 12 24.514 7.029 2.921
114 HD13 ILE 12 HD13 ILE 12 24.042 6.268 1.326
115 H LEU 13 HN LEU 13 25.161 7.890 -2.818
116 HA LEU 13 HA LEU 13 26.752 9.826 -4.091
117 HB2 LEU 13 HB2 LEU 13 24.411 8.393 -5.373
118 HB3 LEU 13 HB1 LEU 13 25.998 8.812 -6.129
119 HG LEU 13 HG LEU 13 25.285 6.637 -4.125
120 HD11 LEU 13 HD11 LEU 13 26.220 6.529 -7.053
121 HD12 LEU 13 HD12 LEU 13 24.600 6.109 -6.361
122 HD13 LEU 13 HD13 LEU 13 26.038 5.092 -5.977
123 HD21 LEU 13 HD21 LEU 13 28.118 7.585 -4.851
124 HD22 LEU 13 HD22 LEU 13 27.809 5.830 -4.561
125 HD23 LEU 13 HD23 LEU 13 27.429 7.028 -3.268
126 H GLN 14 HN GLN 14 23.407 9.664 -3.203
127 HA GLN 14 HA GLN 14 22.639 11.971 -4.843
128 HB2 GLN 14 HB2 GLN 14 21.039 9.812 -3.349
129 HB3 GLN 14 HB1 GLN 14 20.250 11.247 -4.130
130 HG2 GLN 14 HG2 GLN 14 21.339 10.496 -6.363
131 HG3 GLN 14 HG1 GLN 14 21.893 9.000 -5.507
132 HE21 GLN 14 HE21 GLN 14 20.336 8.457 -7.622
133 HE22 GLN 14 HE22 GLN 14 18.714 8.037 -7.181
134 H ARG 15 HN ARG 15 23.883 11.602 -1.642
135 HA ARG 15 HA ARG 15 22.049 13.411 -0.292
136 HB2 ARG 15 HB2 ARG 15 24.946 12.577 0.470
137 HB3 ARG 15 HB1 ARG 15 23.872 13.590 1.508
138 HG2 ARG 15 HG2 ARG 15 22.263 11.723 1.718
139 HG3 ARG 15 HG1 ARG 15 23.236 10.760 0.580
140 HD2 ARG 15 HD2 ARG 15 23.743 9.880 2.831
141 HD3 ARG 15 HD1 ARG 15 25.192 10.839 2.281
142 HE ARG 15 HE ARG 15 23.478 12.658 3.704
143 HH11 ARG 15 HH11 ARG 15 25.409 9.688 4.410
144 HH12 ARG 15 HH12 ARG 15 25.732 10.131 6.052
145 HH21 ARG 15 HH21 ARG 15 23.947 13.204 5.934
146 HH22 ARG 15 HH22 ARG 15 24.895 12.144 6.923
147 H LYS 16 HN LYS 16 25.258 13.464 -1.806
148 HA LYS 16 HA LYS 16 25.433 16.380 -1.670
149 HB2 LYS 16 HB2 LYS 16 27.344 14.304 -2.885
150 HB3 LYS 16 HB1 LYS 16 27.690 16.072 -2.738
151 HG2 LYS 16 HG2 LYS 16 27.511 15.892 -0.236
152 HG3 LYS 16 HG1 LYS 16 27.196 14.126 -0.395
153 HD2 LYS 16 HD2 LYS 16 29.410 13.823 -1.500
154 HD3 LYS 16 HD1 LYS 16 29.730 15.587 -1.358
155 HE2 LYS 16 HE2 LYS 16 29.691 15.398 1.161
156 HE3 LYS 16 HE1 LYS 16 29.354 13.622 1.022
157 HZ1 LYS 16 HZ1 LYS 16 31.813 15.125 0.538
158 HZ2 LYS 16 HZ2 LYS 16 31.511 13.799 -0.478
159 HZ3 LYS 16 HZ3 LYS 16 31.571 13.583 1.205
160 H LYS 17 HN LYS 17 23.910 14.175 -3.583
161 HA LYS 17 HA LYS 17 22.904 14.170 -5.470
162 HB2 LYS 17 HB2 LYS 17 23.472 17.185 -5.694
163 HB3 LYS 17 HB1 LYS 17 22.269 16.277 -6.684
164 HG2 LYS 17 HG2 LYS 17 21.004 15.663 -4.597
165 HG3 LYS 17 HG1 LYS 17 22.205 16.563 -3.597
166 HD2 LYS 17 HD2 LYS 17 21.596 18.678 -4.781
167 HD3 LYS 17 HD1 LYS 17 20.391 17.788 -5.774
168 HE2 LYS 17 HE2 LYS 17 19.087 17.213 -3.688
169 HE3 LYS 17 HE1 LYS 17 20.309 18.096 -2.682
170 HZ1 LYS 17 HZ1 LYS 17 18.114 19.207 -3.549
171 HZ2 LYS 17 HZ2 LYS 17 19.066 19.527 -4.918
172 HZ3 LYS 17 HZ3 LYS 17 19.561 20.080 -3.391