NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
566641 |
2md1   |
19468 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 H TRP 1 1.807 0.000 0.856
2 HA TRP 1 HA TRP 1 3.114 -0.253 -1.002
3 HB2 TRP 1 2HB TRP 1 1.214 -1.911 -1.646
4 HB3 TRP 1 3HB TRP 1 0.687 -0.628 -2.732
5 HD1 TRP 1 HD1 TRP 1 4.328 -1.769 -2.050
6 HE1 TRP 1 HE1 TRP 1 5.375 -2.463 -4.296
7 HE3 TRP 1 HE3 TRP 1 0.232 -1.218 -5.059
8 HZ2 TRP 1 HZ2 TRP 1 4.571 -2.740 -6.988
9 HZ3 TRP 1 HZ3 TRP 1 0.455 -1.717 -7.458
10 HH2 TRP 1 HH2 TRP 1 2.580 -2.462 -8.401
11 H LYS 2 H LYS 2 3.984 1.675 -1.412
12 HA LYS 2 HA LYS 2 2.699 4.070 -1.860
13 HB2 LYS 2 2HB LYS 2 4.854 4.766 -3.007
14 HB3 LYS 2 3HB LYS 2 5.015 4.128 -1.376
15 HG2 LYS 2 2HG LYS 2 5.225 2.047 -3.381
16 HG3 LYS 2 3HG LYS 2 6.424 3.322 -3.609
17 HD2 LYS 2 2HD LYS 2 6.000 2.297 -0.853
18 HD3 LYS 2 3HD LYS 2 6.848 1.253 -1.997
19 HE2 LYS 2 2HE LYS 2 8.650 2.394 -1.246
20 HE3 LYS 2 3HE LYS 2 8.133 3.559 -2.464
21 HZ1 LYS 2 3HZ LYS 2 6.905 3.850 0.148
22 HZ2 LYS 2 1HZ LYS 2 7.495 5.031 -0.910
23 HZ3 LYS 2 2HZ LYS 2 8.563 4.181 0.088
24 H LEU 3 H LEU 3 3.210 1.446 -4.055
25 HA LEU 3 HA LEU 3 2.797 2.936 -6.461
26 HB2 LEU 3 2HB LEU 3 3.462 0.260 -5.732
27 HB3 LEU 3 3HB LEU 3 2.099 0.220 -6.848
28 HG LEU 3 HG LEU 3 4.055 -0.004 -8.156
29 HD11 LEU 3 1HD1 LEU 3 3.111 1.352 -9.633
30 HD12 LEU 3 2HD1 LEU 3 4.036 2.685 -8.945
31 HD13 LEU 3 3HD1 LEU 3 2.413 2.339 -8.349
32 HD21 LEU 3 3HD2 LEU 3 5.151 2.461 -6.807
33 HD22 LEU 3 1HD2 LEU 3 5.952 1.483 -8.037
34 HD23 LEU 3 2HD2 LEU 3 5.638 0.805 -6.439
35 H LEU 4 H LEU 4 0.755 0.989 -4.336
36 HA LEU 4 HA LEU 4 -1.575 1.364 -6.007
37 HB2 LEU 4 2HB LEU 4 -0.827 -0.274 -3.734
38 HB3 LEU 4 3HB LEU 4 -2.434 0.424 -3.543
39 HG LEU 4 HG LEU 4 -3.341 -0.944 -5.072
40 HD11 LEU 4 1HD1 LEU 4 -2.492 0.007 -7.021
41 HD12 LEU 4 2HD1 LEU 4 -2.012 -1.686 -7.137
42 HD13 LEU 4 3HD1 LEU 4 -0.835 -0.467 -6.646
43 HD21 LEU 4 3HD2 LEU 4 -1.091 -2.751 -5.353
44 HD22 LEU 4 1HD2 LEU 4 -2.650 -3.000 -4.567
45 HD23 LEU 4 2HD2 LEU 4 -1.328 -2.237 -3.682
46 H SER 5 H SER 5 -0.149 2.808 -3.179
47 HA SER 5 HA SER 5 -2.494 4.244 -2.372
48 HB2 SER 5 2HB SER 5 0.418 4.400 -1.612
49 HB3 SER 5 3HB SER 5 -0.757 5.567 -1.003
50 HG SER 5 HG SER 5 -0.272 3.085 -0.143
51 H LYS 6 H LYS 6 -0.102 4.682 -4.764
52 HA LYS 6 HA LYS 6 -0.713 7.543 -5.015
53 HB2 LYS 6 2HB LYS 6 1.265 7.774 -6.294
54 HB3 LYS 6 3HB LYS 6 1.689 6.726 -4.946
55 HG2 LYS 6 2HG LYS 6 2.663 5.563 -6.631
56 HG3 LYS 6 3HG LYS 6 1.054 4.839 -6.690
57 HD2 LYS 6 2HD LYS 6 0.616 5.709 -8.711
58 HD3 LYS 6 3HD LYS 6 1.306 7.277 -8.285
59 HE2 LYS 6 2HE LYS 6 3.295 5.156 -8.556
60 HE3 LYS 6 3HE LYS 6 2.393 5.467 -10.039
61 HZ1 LYS 6 3HZ LYS 6 4.064 7.349 -8.486
62 HZ2 LYS 6 1HZ LYS 6 2.929 7.892 -9.617
63 HZ3 LYS 6 2HZ LYS 6 4.212 6.908 -10.112
64 H ALA 7 H ALA 7 -1.338 4.487 -6.418
65 HA ALA 7 HA ALA 7 -2.250 5.689 -8.933
66 HB1 ALA 7 1HB ALA 7 -2.380 3.429 -9.795
67 HB2 ALA 7 2HB ALA 7 -0.794 3.710 -9.077
68 HB3 ALA 7 3HB ALA 7 -2.004 2.774 -8.201
69 H GLN 8 H GLN 8 -3.418 4.694 -5.927
70 HA GLN 8 HA GLN 8 -6.143 4.360 -6.991
71 HB2 GLN 8 2HB GLN 8 -5.054 3.490 -4.309
72 HB3 GLN 8 3HB GLN 8 -6.681 3.198 -4.909
73 HG2 GLN 8 2HG GLN 8 -4.374 2.218 -6.507
74 HG3 GLN 8 3HG GLN 8 -4.824 1.352 -5.039
75 HE21 GLN 8 1HE2 GLN 8 -7.340 1.097 -4.907
76 HE22 GLN 8 2HE2 GLN 8 -8.065 0.447 -6.334
77 H GLU 9 H GLU 9 -4.094 6.260 -4.962
78 HA GLU 9 HA GLU 9 -5.955 7.512 -3.308
79 HB2 GLU 9 2HB GLU 9 -3.731 7.940 -2.765
80 HB3 GLU 9 3HB GLU 9 -3.298 8.333 -4.423
81 HG2 GLU 9 2HG GLU 9 -4.431 10.443 -4.279
82 HG3 GLU 9 3HG GLU 9 -5.056 10.042 -2.680
83 H LYS 10 H LYS 10 -5.275 7.946 -6.684
84 HA LYS 10 HA LYS 10 -6.733 10.446 -6.859
85 HB2 LYS 10 2HB LYS 10 -6.262 10.278 -9.279
86 HB3 LYS 10 3HB LYS 10 -4.806 10.147 -8.302
87 HG2 LYS 10 2HG LYS 10 -4.310 8.247 -9.314
88 HG3 LYS 10 3HG LYS 10 -5.796 7.528 -8.688
89 HD2 LYS 10 2HD LYS 10 -6.097 7.258 -10.952
90 HD3 LYS 10 3HD LYS 10 -6.898 8.809 -10.692
91 HE2 LYS 10 2HE LYS 10 -4.237 9.467 -11.138
92 HE3 LYS 10 3HE LYS 10 -4.562 8.168 -12.283
93 HZ1 LYS 10 3HZ LYS 10 -6.627 9.494 -12.878
94 HZ2 LYS 10 1HZ LYS 10 -5.142 10.115 -13.399
95 HZ3 LYS 10 2HZ LYS 10 -5.913 10.786 -12.052
96 H PHE 11 H PHE 11 -7.852 7.606 -6.181
97 HA PHE 11 HA PHE 11 -10.140 7.778 -8.030
98 HB2 PHE 11 2HB PHE 11 -8.741 5.384 -6.874
99 HB3 PHE 11 3HB PHE 11 -10.422 5.279 -7.385
100 HD1 PHE 11 HD1 PHE 11 -10.476 6.902 -9.794
101 HD2 PHE 11 HD2 PHE 11 -7.510 4.182 -8.410
102 HE1 PHE 11 HE1 PHE 11 -9.748 6.522 -12.113
103 HE2 PHE 11 HE2 PHE 11 -6.776 3.798 -10.726
104 HZ PHE 11 HZ PHE 11 -7.894 4.969 -12.582
105 H GLY 12 H GLY 12 -10.548 9.412 -6.118
106 HA2 GLY 12 2HA GLY 12 -11.597 8.146 -3.726
107 HA3 GLY 12 3HA GLY 12 -11.551 9.871 -4.063
108 H LYS 13 H LYS 13 -12.793 8.433 -6.748
109 HA LYS 13 HA LYS 13 -15.556 8.813 -5.795
110 HB2 LYS 13 2HB LYS 13 -14.846 9.031 -8.689
111 HB3 LYS 13 3HB LYS 13 -16.140 9.818 -7.794
112 HG2 LYS 13 2HG LYS 13 -14.855 11.635 -7.908
113 HG3 LYS 13 3HG LYS 13 -13.916 10.877 -6.620
114 HD2 LYS 13 2HD LYS 13 -12.146 10.819 -7.963
115 HD3 LYS 13 3HD LYS 13 -13.035 9.775 -9.075
116 HE2 LYS 13 2HE LYS 13 -14.095 12.138 -9.752
117 HE3 LYS 13 3HE LYS 13 -12.515 12.687 -9.195
118 HZ1 LYS 13 3HZ LYS 13 -12.972 11.875 -11.671
119 HZ2 LYS 13 1HZ LYS 13 -12.527 10.394 -10.984
120 HZ3 LYS 13 2HZ LYS 13 -11.467 11.709 -10.917
121 H ASN 14 H ASN 14 -13.320 6.669 -7.258
122 HA ASN 14 HA ASN 14 -15.263 4.951 -8.493
123 HB2 ASN 14 2HB ASN 14 -12.320 4.644 -7.897
124 HB3 ASN 14 3HB ASN 14 -13.274 3.369 -8.650
125 HD21 ASN 14 1HD2 ASN 14 -11.760 3.613 -10.411
126 HD22 ASN 14 2HD2 ASN 14 -12.022 4.850 -11.590
127 H LYS 15 H LYS 15 -14.044 5.384 -5.334
128 HA LYS 15 HA LYS 15 -14.920 2.710 -4.500
129 HB2 LYS 15 2HB LYS 15 -13.491 4.772 -2.821
130 HB3 LYS 15 3HB LYS 15 -13.694 3.060 -2.472
131 HG2 LYS 15 2HG LYS 15 -12.024 4.257 -4.673
132 HG3 LYS 15 3HG LYS 15 -11.437 3.492 -3.195
133 HD2 LYS 15 2HD LYS 15 -12.986 1.514 -4.166
134 HD3 LYS 15 3HD LYS 15 -12.487 2.282 -5.675
135 HE2 LYS 15 2HE LYS 15 -10.920 0.542 -5.128
136 HE3 LYS 15 3HE LYS 15 -10.130 2.106 -4.927
137 HZ1 LYS 15 3HZ LYS 15 -9.753 1.674 -2.799
138 HZ2 LYS 15 1HZ LYS 15 -10.276 0.088 -3.071
139 HZ3 LYS 15 2HZ LYS 15 -11.366 1.254 -2.511
140 H SER 16 H SER 16 -17.077 4.015 -5.160
141 HA SER 16 HA SER 16 -18.183 5.061 -2.636
142 HB2 SER 16 2HB SER 16 -19.810 6.324 -4.068
143 HB3 SER 16 3HB SER 16 -18.136 6.845 -4.261
144 HG SER 16 HG SER 16 -19.271 6.554 -6.265
145 H ARG 17 H ARG 17 -18.051 2.292 -3.453
146 HA ARG 17 HA ARG 17 -20.826 1.651 -4.127
147 HB2 ARG 17 2HB ARG 17 -18.246 0.325 -4.461
148 HB3 ARG 17 3HB ARG 17 -19.482 -0.747 -3.818
149 HG2 ARG 17 2HG ARG 17 -20.264 -1.029 -5.865
150 HG3 ARG 17 3HG ARG 17 -20.675 0.686 -5.926
151 HD2 ARG 17 2HD ARG 17 -18.863 1.214 -7.178
152 HD3 ARG 17 3HD ARG 17 -17.843 0.003 -6.402
153 HE ARG 17 HE ARG 17 -19.699 -1.378 -7.922
154 HH11 ARG 17 1HH1 ARG 17 -17.137 0.919 -8.454
155 HH12 ARG 17 2HH1 ARG 17 -16.764 0.332 -10.041
156 HH21 ARG 17 1HH2 ARG 17 -19.217 -2.160 -10.010
157 HH22 ARG 17 2HH2 ARG 17 -17.948 -1.418 -10.925
Start of MODEL 2
1 H1 TRP 1 H TRP 1 1.939 -2.168 -0.128
2 HA TRP 1 HA TRP 1 3.658 -1.249 -1.391
3 HB2 TRP 1 2HB TRP 1 2.156 -2.858 -2.780
4 HB3 TRP 1 3HB TRP 1 1.645 -1.393 -3.615
5 HD1 TRP 1 HD1 TRP 1 5.240 -2.313 -2.499
6 HE1 TRP 1 HE1 TRP 1 6.746 -2.298 -4.586
7 HE3 TRP 1 HE3 TRP 1 1.685 -1.407 -6.059
8 HZ2 TRP 1 HZ2 TRP 1 6.465 -1.947 -7.372
9 HZ3 TRP 1 HZ3 TRP 1 2.387 -1.245 -8.412
10 HH2 TRP 1 HH2 TRP 1 4.728 -1.509 -9.053
11 H LYS 2 H LYS 2 4.305 0.793 -1.160
12 HA LYS 2 HA LYS 2 2.782 3.088 -1.277
13 HB2 LYS 2 2HB LYS 2 4.916 4.301 -1.631
14 HB3 LYS 2 3HB LYS 2 5.013 3.103 -0.347
15 HG2 LYS 2 2HG LYS 2 6.859 2.378 -1.343
16 HG3 LYS 2 3HG LYS 2 5.804 1.704 -2.588
17 HD2 LYS 2 2HD LYS 2 7.236 2.960 -3.872
18 HD3 LYS 2 3HD LYS 2 5.946 4.130 -3.579
19 HE2 LYS 2 2HE LYS 2 7.481 4.620 -1.439
20 HE3 LYS 2 3HE LYS 2 8.722 4.056 -2.556
21 HZ1 LYS 2 3HZ LYS 2 7.554 6.573 -2.446
22 HZ2 LYS 2 1HZ LYS 2 7.015 5.861 -3.882
23 HZ3 LYS 2 2HZ LYS 2 8.672 6.002 -3.579
24 H LEU 3 H LEU 3 4.017 1.176 -3.876
25 HA LEU 3 HA LEU 3 3.816 3.196 -5.896
26 HB2 LEU 3 2HB LEU 3 4.735 0.502 -5.700
27 HB3 LEU 3 3HB LEU 3 3.607 0.621 -7.049
28 HG LEU 3 HG LEU 3 5.769 0.943 -7.945
29 HD11 LEU 3 1HD1 LEU 3 4.933 2.554 -9.215
30 HD12 LEU 3 2HD1 LEU 3 5.480 3.739 -8.029
31 HD13 LEU 3 3HD1 LEU 3 3.854 3.066 -7.918
32 HD21 LEU 3 3HD2 LEU 3 6.905 1.414 -5.807
33 HD22 LEU 3 1HD2 LEU 3 6.242 3.049 -5.838
34 HD23 LEU 3 2HD2 LEU 3 7.376 2.534 -7.087
35 H LEU 4 H LEU 4 1.749 0.582 -4.733
36 HA LEU 4 HA LEU 4 -0.290 1.135 -6.711
37 HB2 LEU 4 2HB LEU 4 0.297 -0.954 -4.789
38 HB3 LEU 4 3HB LEU 4 -1.404 -0.494 -4.759
39 HG LEU 4 HG LEU 4 -1.835 -1.502 -6.716
40 HD11 LEU 4 1HD1 LEU 4 -0.100 -1.536 -8.599
41 HD12 LEU 4 2HD1 LEU 4 0.800 -0.386 -7.610
42 HD13 LEU 4 3HD1 LEU 4 -0.823 0.015 -8.171
43 HD21 LEU 4 3HD2 LEU 4 0.671 -2.936 -6.975
44 HD22 LEU 4 1HD2 LEU 4 -0.941 -3.537 -6.585
45 HD23 LEU 4 2HD2 LEU 4 0.096 -2.900 -5.308
46 H SER 5 H SER 5 0.410 1.943 -3.400
47 HA SER 5 HA SER 5 -2.226 2.873 -2.765
48 HB2 SER 5 2HB SER 5 0.458 3.094 -1.420
49 HB3 SER 5 3HB SER 5 -0.942 3.976 -0.809
50 HG SER 5 HG SER 5 -0.511 1.784 0.068
51 H LYS 6 H LYS 6 0.464 4.160 -4.433
52 HA LYS 6 HA LYS 6 -0.489 6.914 -4.110
53 HB2 LYS 6 2HB LYS 6 1.610 7.639 -4.945
54 HB3 LYS 6 3HB LYS 6 1.958 6.333 -3.820
55 HG2 LYS 6 2HG LYS 6 3.314 5.709 -5.524
56 HG3 LYS 6 3HG LYS 6 1.837 4.889 -6.037
57 HD2 LYS 6 2HD LYS 6 1.652 6.162 -7.866
58 HD3 LYS 6 3HD LYS 6 1.968 7.645 -6.962
59 HE2 LYS 6 2HE LYS 6 4.135 5.711 -7.749
60 HE3 LYS 6 3HE LYS 6 3.637 7.058 -8.771
61 HZ1 LYS 6 3HZ LYS 6 5.233 8.128 -7.632
62 HZ2 LYS 6 1HZ LYS 6 5.177 7.069 -6.313
63 HZ3 LYS 6 2HZ LYS 6 4.032 8.306 -6.454
64 H ALA 7 H ALA 7 -0.433 4.295 -6.333
65 HA ALA 7 HA ALA 7 -1.150 6.032 -8.581
66 HB1 ALA 7 1HB ALA 7 -0.614 3.065 -8.579
67 HB2 ALA 7 2HB ALA 7 -0.815 4.101 -9.993
68 HB3 ALA 7 3HB ALA 7 0.582 4.310 -8.937
69 H GLN 8 H GLN 8 -2.586 4.140 -6.179
70 HA GLN 8 HA GLN 8 -5.039 3.792 -7.765
71 HB2 GLN 8 2HB GLN 8 -4.066 1.745 -6.738
72 HB3 GLN 8 3HB GLN 8 -4.290 2.470 -5.151
73 HG2 GLN 8 2HG GLN 8 -6.502 2.066 -5.126
74 HG3 GLN 8 3HG GLN 8 -6.687 2.368 -6.853
75 HE21 GLN 8 1HE2 GLN 8 -7.464 0.147 -4.894
76 HE22 GLN 8 2HE2 GLN 8 -7.003 -1.298 -5.722
77 H GLU 9 H GLU 9 -3.649 5.378 -5.022
78 HA GLU 9 HA GLU 9 -5.924 6.009 -3.542
79 HB2 GLU 9 2HB GLU 9 -3.877 6.509 -2.519
80 HB3 GLU 9 3HB GLU 9 -3.280 7.378 -3.926
81 HG2 GLU 9 2HG GLU 9 -4.530 9.276 -3.443
82 HG3 GLU 9 3HG GLU 9 -5.624 8.399 -2.375
83 H LYS 10 H LYS 10 -4.767 7.276 -6.556
84 HA LYS 10 HA LYS 10 -6.526 9.582 -6.482
85 HB2 LYS 10 2HB LYS 10 -5.542 10.223 -8.548
86 HB3 LYS 10 3HB LYS 10 -4.236 9.598 -7.550
87 HG2 LYS 10 2HG LYS 10 -4.343 7.468 -8.744
88 HG3 LYS 10 3HG LYS 10 -5.648 8.101 -9.750
89 HD2 LYS 10 2HD LYS 10 -2.871 9.269 -9.574
90 HD3 LYS 10 3HD LYS 10 -3.442 8.204 -10.860
91 HE2 LYS 10 2HE LYS 10 -4.199 9.988 -11.944
92 HE3 LYS 10 3HE LYS 10 -5.342 10.264 -10.630
93 HZ1 LYS 10 3HZ LYS 10 -4.189 12.014 -9.928
94 HZ2 LYS 10 1HZ LYS 10 -3.334 11.942 -11.386
95 HZ3 LYS 10 2HZ LYS 10 -2.711 11.194 -10.003
96 H PHE 11 H PHE 11 -7.349 6.593 -6.616
97 HA PHE 11 HA PHE 11 -9.247 6.921 -8.847
98 HB2 PHE 11 2HB PHE 11 -7.853 4.446 -7.840
99 HB3 PHE 11 3HB PHE 11 -9.306 4.362 -8.831
100 HD1 PHE 11 HD2 PHE 11 -5.897 5.858 -8.803
101 HD2 PHE 11 HD1 PHE 11 -9.111 4.315 -11.128
102 HE1 PHE 11 HE2 PHE 11 -4.518 6.051 -10.831
103 HE2 PHE 11 HE1 PHE 11 -7.737 4.505 -13.160
104 HZ PHE 11 HZ PHE 11 -5.438 5.376 -13.014
105 H GLY 12 H GLY 12 -10.019 8.042 -6.564
106 HA2 GLY 12 2HA GLY 12 -11.615 6.077 -5.080
107 HA3 GLY 12 3HA GLY 12 -11.300 7.734 -4.584
108 H LYS 13 H LYS 13 -12.344 6.823 -7.806
109 HA LYS 13 HA LYS 13 -14.580 8.616 -7.639
110 HB2 LYS 13 2HB LYS 13 -13.521 8.560 -9.743
111 HB3 LYS 13 3HB LYS 13 -13.498 6.802 -9.782
112 HG2 LYS 13 2HG LYS 13 -16.171 8.019 -9.660
113 HG3 LYS 13 3HG LYS 13 -15.256 8.333 -11.137
114 HD2 LYS 13 2HD LYS 13 -15.047 5.563 -10.336
115 HD3 LYS 13 3HD LYS 13 -16.733 6.050 -10.531
116 HE2 LYS 13 2HE LYS 13 -14.590 6.563 -12.586
117 HE3 LYS 13 3HE LYS 13 -15.638 5.146 -12.599
118 HZ1 LYS 13 3HZ LYS 13 -16.171 7.729 -13.574
119 HZ2 LYS 13 1HZ LYS 13 -17.269 7.385 -12.334
120 HZ3 LYS 13 2HZ LYS 13 -17.142 6.346 -13.663
121 H ASN 14 H ASN 14 -14.072 5.205 -7.285
122 HA ASN 14 HA ASN 14 -16.984 4.808 -7.068
123 HB2 ASN 14 2HB ASN 14 -14.803 3.023 -8.089
124 HB3 ASN 14 3HB ASN 14 -16.260 2.312 -7.403
125 HD21 ASN 14 1HD2 ASN 14 -15.012 2.649 -10.194
126 HD22 ASN 14 2HD2 ASN 14 -16.353 3.145 -11.165
127 H LYS 15 H LYS 15 -16.027 5.831 -4.869
128 HA LYS 15 HA LYS 15 -14.763 4.150 -3.019
129 HB2 LYS 15 2HB LYS 15 -15.608 6.745 -3.010
130 HB3 LYS 15 3HB LYS 15 -16.767 6.005 -1.912
131 HG2 LYS 15 2HG LYS 15 -15.250 6.280 -0.318
132 HG3 LYS 15 3HG LYS 15 -14.333 4.983 -1.089
133 HD2 LYS 15 2HD LYS 15 -12.991 6.512 -2.288
134 HD3 LYS 15 3HD LYS 15 -14.073 7.860 -1.930
135 HE2 LYS 15 2HE LYS 15 -13.485 7.619 0.471
136 HE3 LYS 15 3HE LYS 15 -12.317 6.377 0.024
137 HZ1 LYS 15 3HZ LYS 15 -11.951 9.139 0.058
138 HZ2 LYS 15 1HZ LYS 15 -11.880 8.653 -1.562
139 HZ3 LYS 15 2HZ LYS 15 -10.847 7.951 -0.422
140 H SER 16 H SER 16 -18.230 5.000 -3.106
141 HA SER 16 HA SER 16 -19.067 3.066 -1.280
142 HB2 SER 16 2HB SER 16 -20.693 4.149 -3.590
143 HB3 SER 16 3HB SER 16 -21.312 3.479 -2.081
144 HG SER 16 HG SER 16 -21.340 5.643 -1.784
145 H ARG 17 H ARG 17 -19.534 2.939 -4.817
146 HA ARG 17 HA ARG 17 -20.207 0.193 -4.837
147 HB2 ARG 17 2HB ARG 17 -19.406 2.155 -6.968
148 HB3 ARG 17 3HB ARG 17 -19.648 0.455 -7.350
149 HG2 ARG 17 2HG ARG 17 -21.771 1.023 -7.707
150 HG3 ARG 17 3HG ARG 17 -21.916 1.060 -5.949
151 HD2 ARG 17 2HD ARG 17 -22.587 3.176 -6.226
152 HD3 ARG 17 3HD ARG 17 -20.882 3.533 -6.503
153 HE ARG 17 HE ARG 17 -22.068 2.736 -8.924
154 HH11 ARG 17 1HH1 ARG 17 -22.080 5.385 -6.665
155 HH12 ARG 17 2HH1 ARG 17 -22.482 6.573 -7.860
156 HH21 ARG 17 1HH2 ARG 17 -22.597 4.290 -10.507
157 HH22 ARG 17 2HH2 ARG 17 -22.777 5.949 -10.045
Start of MODEL 3
1 H1 TRP 1 H TRP 1 1.963 -0.865 0.151
2 HA TRP 1 HA TRP 1 3.812 -0.175 -1.054
3 HB2 TRP 1 2HB TRP 1 3.107 -2.061 -2.703
4 HB3 TRP 1 3HB TRP 1 2.414 -0.748 -3.650
5 HD1 TRP 1 HD1 TRP 1 5.812 -0.747 -1.786
6 HE1 TRP 1 HE1 TRP 1 7.661 -0.256 -3.508
7 HE3 TRP 1 HE3 TRP 1 2.963 -0.648 -6.030
8 HZ2 TRP 1 HZ2 TRP 1 7.882 0.125 -6.296
9 HZ3 TRP 1 HZ3 TRP 1 4.070 -0.214 -8.184
10 HH2 TRP 1 HH2 TRP 1 6.479 0.165 -8.312
11 H LYS 2 H LYS 2 3.834 1.954 -0.722
12 HA LYS 2 HA LYS 2 1.821 3.776 -1.194
13 HB2 LYS 2 2HB LYS 2 3.644 5.508 -1.182
14 HB3 LYS 2 3HB LYS 2 3.664 4.403 0.186
15 HG2 LYS 2 2HG LYS 2 5.293 3.480 -2.041
16 HG3 LYS 2 3HG LYS 2 5.805 5.044 -1.403
17 HD2 LYS 2 2HD LYS 2 5.465 3.777 0.908
18 HD3 LYS 2 3HD LYS 2 5.785 2.370 -0.109
19 HE2 LYS 2 2HE LYS 2 7.913 2.922 0.554
20 HE3 LYS 2 3HE LYS 2 7.792 3.820 -0.958
21 HZ1 LYS 2 3HZ LYS 2 7.722 4.828 1.805
22 HZ2 LYS 2 1HZ LYS 2 6.958 5.706 0.576
23 HZ3 LYS 2 2HZ LYS 2 8.617 5.389 0.484
24 H LEU 3 H LEU 3 4.031 2.362 -3.443
25 HA LEU 3 HA LEU 3 3.728 4.339 -5.491
26 HB2 LEU 3 2HB LEU 3 5.258 1.967 -5.065
27 HB3 LEU 3 3HB LEU 3 4.448 1.851 -6.626
28 HG LEU 3 HG LEU 3 6.593 2.757 -7.037
29 HD11 LEU 3 1HD1 LEU 3 5.622 5.379 -7.245
30 HD12 LEU 3 2HD1 LEU 3 4.226 4.320 -7.447
31 HD13 LEU 3 3HD1 LEU 3 5.635 4.129 -8.490
32 HD21 LEU 3 3HD2 LEU 3 6.029 4.809 -4.899
33 HD22 LEU 3 1HD2 LEU 3 7.488 4.694 -5.883
34 HD23 LEU 3 2HD2 LEU 3 7.102 3.419 -4.726
35 H LEU 4 H LEU 4 2.227 1.231 -4.754
36 HA LEU 4 HA LEU 4 0.571 1.315 -7.125
37 HB2 LEU 4 2HB LEU 4 1.272 -0.625 -5.088
38 HB3 LEU 4 3HB LEU 4 -0.458 -0.623 -5.426
39 HG LEU 4 HG LEU 4 -0.191 -1.630 -7.413
40 HD11 LEU 4 1HD1 LEU 4 1.847 -1.136 -8.885
41 HD12 LEU 4 2HD1 LEU 4 2.184 0.168 -7.748
42 HD13 LEU 4 3HD1 LEU 4 0.667 0.153 -8.647
43 HD21 LEU 4 3HD2 LEU 4 2.599 -2.354 -7.116
44 HD22 LEU 4 1HD2 LEU 4 1.156 -3.366 -7.059
45 HD23 LEU 4 2HD2 LEU 4 1.705 -2.531 -5.605
46 H SER 5 H SER 5 0.330 2.143 -3.753
47 HA SER 5 HA SER 5 -2.531 2.333 -3.708
48 HB2 SER 5 2HB SER 5 -0.341 3.185 -1.826
49 HB3 SER 5 3HB SER 5 -2.019 3.647 -1.540
50 HG SER 5 HG SER 5 -2.078 1.762 -0.592
51 H LYS 6 H LYS 6 0.017 4.339 -4.785
52 HA LYS 6 HA LYS 6 -1.670 6.736 -4.715
53 HB2 LYS 6 2HB LYS 6 0.292 8.014 -5.086
54 HB3 LYS 6 3HB LYS 6 0.728 6.793 -3.898
55 HG2 LYS 6 2HG LYS 6 2.526 6.626 -5.269
56 HG3 LYS 6 3HG LYS 6 1.460 5.469 -6.070
57 HD2 LYS 6 2HD LYS 6 1.306 6.731 -7.912
58 HD3 LYS 6 3HD LYS 6 1.056 8.209 -6.979
59 HE2 LYS 6 2HE LYS 6 3.766 7.264 -6.706
60 HE3 LYS 6 3HE LYS 6 3.343 7.464 -8.406
61 HZ1 LYS 6 3HZ LYS 6 3.402 9.490 -6.266
62 HZ2 LYS 6 1HZ LYS 6 2.436 9.725 -7.635
63 HZ3 LYS 6 2HZ LYS 6 4.109 9.542 -7.801
64 H ALA 7 H ALA 7 -0.465 4.315 -6.832
65 HA ALA 7 HA ALA 7 -1.120 5.899 -9.209
66 HB1 ALA 7 1HB ALA 7 -0.002 4.180 -10.487
67 HB2 ALA 7 2HB ALA 7 1.038 4.705 -9.162
68 HB3 ALA 7 3HB ALA 7 0.166 3.177 -9.046
69 H GLN 8 H GLN 8 -2.482 3.602 -7.142
70 HA GLN 8 HA GLN 8 -4.363 2.690 -9.211
71 HB2 GLN 8 2HB GLN 8 -3.125 0.934 -7.950
72 HB3 GLN 8 3HB GLN 8 -3.880 1.512 -6.470
73 HG2 GLN 8 2HG GLN 8 -5.908 0.625 -6.988
74 HG3 GLN 8 3HG GLN 8 -5.655 0.776 -8.726
75 HE21 GLN 8 1HE2 GLN 8 -6.343 -1.455 -6.692
76 HE22 GLN 8 2HE2 GLN 8 -5.350 -2.769 -7.214
77 H GLU 9 H GLU 9 -4.058 4.463 -6.252
78 HA GLU 9 HA GLU 9 -6.692 4.430 -5.333
79 HB2 GLU 9 2HB GLU 9 -5.093 5.365 -3.886
80 HB3 GLU 9 3HB GLU 9 -4.480 6.454 -5.122
81 HG2 GLU 9 2HG GLU 9 -6.471 7.797 -4.999
82 HG3 GLU 9 3HG GLU 9 -7.210 6.657 -3.875
83 H LYS 10 H LYS 10 -5.279 6.019 -8.054
84 HA LYS 10 HA LYS 10 -7.478 7.878 -8.388
85 HB2 LYS 10 2HB LYS 10 -6.287 8.547 -10.448
86 HB3 LYS 10 3HB LYS 10 -5.256 8.614 -9.025
87 HG2 LYS 10 2HG LYS 10 -3.797 7.235 -9.954
88 HG3 LYS 10 3HG LYS 10 -5.054 6.032 -10.253
89 HD2 LYS 10 2HD LYS 10 -4.213 6.533 -12.380
90 HD3 LYS 10 3HD LYS 10 -5.699 7.479 -12.266
91 HE2 LYS 10 2HE LYS 10 -4.572 9.476 -12.085
92 HE3 LYS 10 3HE LYS 10 -3.125 8.721 -11.420
93 HZ1 LYS 10 3HZ LYS 10 -4.033 8.655 -14.245
94 HZ2 LYS 10 1HZ LYS 10 -2.738 7.744 -13.647
95 HZ3 LYS 10 2HZ LYS 10 -2.661 9.433 -13.632
96 H PHE 11 H PHE 11 -7.550 4.764 -8.613
97 HA PHE 11 HA PHE 11 -9.057 4.715 -11.145
98 HB2 PHE 11 2HB PHE 11 -7.282 2.630 -9.897
99 HB3 PHE 11 3HB PHE 11 -8.522 2.192 -11.067
100 HD1 PHE 11 HD2 PHE 11 -8.390 4.364 -12.996
101 HD2 PHE 11 HD1 PHE 11 -5.253 2.339 -10.953
102 HE1 PHE 11 HE2 PHE 11 -6.847 4.908 -14.834
103 HE2 PHE 11 HE1 PHE 11 -3.704 2.880 -12.787
104 HZ PHE 11 HZ PHE 11 -4.501 4.165 -14.731
105 H GLY 12 H GLY 12 -8.903 3.720 -7.787
106 HA2 GLY 12 2HA GLY 12 -11.681 2.741 -7.994
107 HA3 GLY 12 3HA GLY 12 -10.526 2.195 -6.787
108 H LYS 13 H LYS 13 -11.309 5.490 -7.847
109 HA LYS 13 HA LYS 13 -11.484 6.388 -5.128
110 HB2 LYS 13 2HB LYS 13 -10.585 7.964 -6.629
111 HB3 LYS 13 3HB LYS 13 -11.868 7.708 -7.803
112 HG2 LYS 13 2HG LYS 13 -12.746 8.706 -5.182
113 HG3 LYS 13 3HG LYS 13 -11.741 9.811 -6.123
114 HD2 LYS 13 2HD LYS 13 -13.710 8.583 -7.816
115 HD3 LYS 13 3HD LYS 13 -14.491 9.317 -6.414
116 HE2 LYS 13 2HE LYS 13 -13.478 11.439 -6.888
117 HE3 LYS 13 3HE LYS 13 -12.490 10.734 -8.167
118 HZ1 LYS 13 3HZ LYS 13 -15.361 10.393 -8.447
119 HZ2 LYS 13 1HZ LYS 13 -14.193 10.756 -9.616
120 HZ3 LYS 13 2HZ LYS 13 -14.793 11.978 -8.612
121 H ASN 14 H ASN 14 -13.720 5.333 -7.559
122 HA ASN 14 HA ASN 14 -16.021 6.386 -6.119
123 HB2 ASN 14 2HB ASN 14 -15.758 6.278 -8.694
124 HB3 ASN 14 3HB ASN 14 -16.164 4.574 -8.515
125 HD21 ASN 14 1HD2 ASN 14 -17.573 6.890 -9.762
126 HD22 ASN 14 2HD2 ASN 14 -19.150 6.876 -9.057
127 H LYS 15 H LYS 15 -14.685 4.686 -4.500
128 HA LYS 15 HA LYS 15 -15.403 1.976 -4.644
129 HB2 LYS 15 2HB LYS 15 -14.689 1.808 -2.376
130 HB3 LYS 15 3HB LYS 15 -13.643 2.987 -3.155
131 HG2 LYS 15 2HG LYS 15 -15.377 4.702 -2.208
132 HG3 LYS 15 3HG LYS 15 -15.746 3.390 -1.087
133 HD2 LYS 15 2HD LYS 15 -14.024 4.101 0.138
134 HD3 LYS 15 3HD LYS 15 -12.972 3.489 -1.140
135 HE2 LYS 15 2HE LYS 15 -13.332 5.755 -2.269
136 HE3 LYS 15 3HE LYS 15 -13.979 6.287 -0.718
137 HZ1 LYS 15 3HZ LYS 15 -11.443 6.531 -1.315
138 HZ2 LYS 15 1HZ LYS 15 -11.380 4.949 -0.718
139 HZ3 LYS 15 2HZ LYS 15 -11.950 6.202 0.265
140 H SER 16 H SER 16 -17.145 4.784 -3.563
141 HA SER 16 HA SER 16 -19.101 3.546 -1.977
142 HB2 SER 16 2HB SER 16 -18.883 5.937 -1.915
143 HB3 SER 16 3HB SER 16 -19.198 6.067 -3.645
144 HG SER 16 HG SER 16 -20.952 6.190 -1.710
145 H ARG 17 H ARG 17 -19.653 4.829 -5.256
146 HA ARG 17 HA ARG 17 -21.723 2.801 -5.643
147 HB2 ARG 17 2HB ARG 17 -21.049 5.370 -7.060
148 HB3 ARG 17 3HB ARG 17 -22.160 4.198 -7.756
149 HG2 ARG 17 2HG ARG 17 -22.490 5.531 -5.076
150 HG3 ARG 17 3HG ARG 17 -23.321 5.992 -6.562
151 HD2 ARG 17 2HD ARG 17 -24.033 3.467 -6.573
152 HD3 ARG 17 3HD ARG 17 -23.683 3.578 -4.848
153 HE ARG 17 HE ARG 17 -25.291 5.721 -5.350
154 HH11 ARG 17 1HH1 ARG 17 -25.546 2.288 -5.867
155 HH12 ARG 17 2HH1 ARG 17 -27.270 2.259 -5.704
156 HH21 ARG 17 1HH2 ARG 17 -27.562 5.697 -5.133
157 HH22 ARG 17 2HH2 ARG 17 -28.416 4.199 -5.287
Start of MODEL 4
1 H1 TRP 1 H TRP 1 2.407 0.666 1.125
2 HA TRP 1 HA TRP 1 3.432 0.246 -0.861
3 HB2 TRP 1 2HB TRP 1 1.423 -1.410 -0.856
4 HB3 TRP 1 3HB TRP 1 0.751 -0.339 -2.081
5 HD1 TRP 1 HD1 TRP 1 4.433 -1.502 -1.759
6 HE1 TRP 1 HE1 TRP 1 5.089 -2.673 -3.955
7 HE3 TRP 1 HE3 TRP 1 -0.088 -1.352 -4.142
8 HZ2 TRP 1 HZ2 TRP 1 3.854 -3.432 -6.377
9 HZ3 TRP 1 HZ3 TRP 1 -0.266 -2.321 -6.396
10 HH2 TRP 1 HH2 TRP 1 1.666 -3.339 -7.489
11 H LYS 2 H LYS 2 4.259 2.005 -1.789
12 HA LYS 2 HA LYS 2 2.959 4.330 -2.500
13 HB2 LYS 2 2HB LYS 2 4.915 4.642 -4.119
14 HB3 LYS 2 3HB LYS 2 5.307 4.414 -2.420
15 HG2 LYS 2 2HG LYS 2 6.520 2.616 -2.871
16 HG3 LYS 2 3HG LYS 2 5.201 1.883 -3.787
17 HD2 LYS 2 2HD LYS 2 6.993 2.106 -5.308
18 HD3 LYS 2 3HD LYS 2 5.870 3.410 -5.699
19 HE2 LYS 2 2HE LYS 2 7.483 4.598 -3.850
20 HE3 LYS 2 3HE LYS 2 8.613 3.521 -4.669
21 HZ1 LYS 2 3HZ LYS 2 6.969 5.677 -5.860
22 HZ2 LYS 2 1HZ LYS 2 7.728 4.492 -6.799
23 HZ3 LYS 2 2HZ LYS 2 8.655 5.538 -5.846
24 H LEU 3 H LEU 3 3.047 1.304 -4.166
25 HA LEU 3 HA LEU 3 2.275 2.317 -6.730
26 HB2 LEU 3 2HB LEU 3 3.009 -0.197 -5.594
27 HB3 LEU 3 3HB LEU 3 1.488 -0.386 -6.464
28 HG LEU 3 HG LEU 3 3.220 -0.948 -7.976
29 HD11 LEU 3 1HD1 LEU 3 2.047 0.127 -9.522
30 HD12 LEU 3 2HD1 LEU 3 3.113 1.513 -9.293
31 HD13 LEU 3 3HD1 LEU 3 1.607 1.399 -8.382
32 HD21 LEU 3 3HD2 LEU 3 5.121 0.472 -8.448
33 HD22 LEU 3 1HD2 LEU 3 5.063 0.105 -6.724
34 HD23 LEU 3 2HD2 LEU 3 4.535 1.684 -7.307
35 H LEU 4 H LEU 4 0.585 0.934 -3.957
36 HA LEU 4 HA LEU 4 -1.983 1.072 -5.282
37 HB2 LEU 4 2HB LEU 4 -0.893 -0.125 -2.878
38 HB3 LEU 4 3HB LEU 4 -2.434 0.673 -2.573
39 HG LEU 4 HG LEU 4 -3.605 -0.922 -3.627
40 HD11 LEU 4 1HD1 LEU 4 -1.398 -0.883 -5.656
41 HD12 LEU 4 2HD1 LEU 4 -3.083 -0.396 -5.839
42 HD13 LEU 4 3HD1 LEU 4 -2.670 -2.105 -5.697
43 HD21 LEU 4 3HD2 LEU 4 -2.864 -2.867 -2.838
44 HD22 LEU 4 1HD2 LEU 4 -1.392 -2.015 -2.369
45 HD23 LEU 4 2HD2 LEU 4 -1.468 -2.857 -3.917
46 H SER 5 H SER 5 -0.089 2.981 -3.074
47 HA SER 5 HA SER 5 -2.253 4.651 -2.209
48 HB2 SER 5 2HB SER 5 0.743 4.799 -1.952
49 HB3 SER 5 3HB SER 5 -0.283 6.137 -1.437
50 HG SER 5 HG SER 5 0.200 3.767 -0.213
51 H LYS 6 H LYS 6 -0.253 4.511 -4.975
52 HA LYS 6 HA LYS 6 -0.831 7.295 -5.693
53 HB2 LYS 6 2HB LYS 6 0.879 7.130 -7.329
54 HB3 LYS 6 3HB LYS 6 1.512 6.351 -5.884
55 HG2 LYS 6 2HG LYS 6 2.123 4.806 -7.423
56 HG3 LYS 6 3HG LYS 6 0.508 4.198 -7.054
57 HD2 LYS 6 2HD LYS 6 -0.254 4.662 -9.111
58 HD3 LYS 6 3HD LYS 6 0.536 6.240 -9.143
59 HE2 LYS 6 2HE LYS 6 2.260 5.458 -10.328
60 HE3 LYS 6 3HE LYS 6 2.434 4.046 -9.288
61 HZ1 LYS 6 3HZ LYS 6 1.208 2.775 -10.660
62 HZ2 LYS 6 1HZ LYS 6 1.666 3.912 -11.826
63 HZ3 LYS 6 2HZ LYS 6 0.151 4.026 -11.083
64 H ALA 7 H ALA 7 -1.757 4.058 -6.375
65 HA ALA 7 HA ALA 7 -3.105 4.840 -8.857
66 HB1 ALA 7 1HB ALA 7 -3.431 2.480 -9.255
67 HB2 ALA 7 2HB ALA 7 -1.737 2.787 -8.870
68 HB3 ALA 7 3HB ALA 7 -2.806 2.092 -7.652
69 H GLN 8 H GLN 8 -3.717 4.463 -5.558
70 HA GLN 8 HA GLN 8 -6.591 4.048 -6.026
71 HB2 GLN 8 2HB GLN 8 -5.451 2.442 -4.501
72 HB3 GLN 8 3HB GLN 8 -5.061 3.784 -3.433
73 HG2 GLN 8 2HG GLN 8 -7.202 4.002 -2.688
74 HG3 GLN 8 3HG GLN 8 -7.903 3.376 -4.180
75 HE21 GLN 8 1HE2 GLN 8 -8.823 1.477 -3.978
76 HE22 GLN 8 2HE2 GLN 8 -8.380 0.236 -2.861
77 H GLU 9 H GLU 9 -4.211 6.265 -4.845
78 HA GLU 9 HA GLU 9 -5.764 7.931 -3.239
79 HB2 GLU 9 2HB GLU 9 -3.451 8.325 -3.199
80 HB3 GLU 9 3HB GLU 9 -3.343 8.414 -4.951
81 HG2 GLU 9 2HG GLU 9 -3.937 10.588 -5.020
82 HG3 GLU 9 3HG GLU 9 -5.031 10.448 -3.645
83 H LYS 10 H LYS 10 -5.653 7.577 -6.690
84 HA LYS 10 HA LYS 10 -7.114 10.036 -7.178
85 HB2 LYS 10 2HB LYS 10 -6.856 9.572 -9.487
86 HB3 LYS 10 3HB LYS 10 -5.340 9.101 -8.730
87 HG2 LYS 10 2HG LYS 10 -6.012 6.768 -8.786
88 HG3 LYS 10 3HG LYS 10 -7.565 7.220 -9.493
89 HD2 LYS 10 2HD LYS 10 -4.859 7.695 -10.745
90 HD3 LYS 10 3HD LYS 10 -5.984 6.409 -11.189
91 HE2 LYS 10 2HE LYS 10 -7.642 8.434 -11.497
92 HE3 LYS 10 3HE LYS 10 -6.143 9.340 -11.696
93 HZ1 LYS 10 3HZ LYS 10 -6.654 6.867 -13.228
94 HZ2 LYS 10 1HZ LYS 10 -5.565 8.115 -13.569
95 HZ3 LYS 10 2HZ LYS 10 -7.226 8.365 -13.767
96 H PHE 11 H PHE 11 -8.128 7.492 -5.708
97 HA PHE 11 HA PHE 11 -10.661 7.297 -7.202
98 HB2 PHE 11 2HB PHE 11 -9.158 5.200 -5.647
99 HB3 PHE 11 3HB PHE 11 -10.875 5.038 -5.999
100 HD1 PHE 11 HD1 PHE 11 -7.562 5.486 -7.605
101 HD2 PHE 11 HD2 PHE 11 -11.592 4.190 -8.045
102 HE1 PHE 11 HE1 PHE 11 -7.014 4.544 -9.811
103 HE2 PHE 11 HE2 PHE 11 -11.051 3.244 -10.251
104 HZ PHE 11 HZ PHE 11 -8.759 3.420 -11.136
105 H GLY 12 H GLY 12 -9.806 9.182 -5.072
106 HA2 GLY 12 2HA GLY 12 -11.014 8.480 -2.614
107 HA3 GLY 12 3HA GLY 12 -10.639 10.112 -3.145
108 H LYS 13 H LYS 13 -12.311 9.766 -5.580
109 HA LYS 13 HA LYS 13 -14.938 10.053 -4.275
110 HB2 LYS 13 2HB LYS 13 -14.232 11.280 -6.926
111 HB3 LYS 13 3HB LYS 13 -15.516 11.733 -5.812
112 HG2 LYS 13 2HG LYS 13 -14.201 13.292 -4.963
113 HG3 LYS 13 3HG LYS 13 -13.080 12.040 -4.425
114 HD2 LYS 13 2HD LYS 13 -12.152 12.104 -6.810
115 HD3 LYS 13 3HD LYS 13 -13.047 13.616 -6.984
116 HE2 LYS 13 2HE LYS 13 -11.046 14.445 -6.271
117 HE3 LYS 13 3HE LYS 13 -11.820 14.180 -4.709
118 HZ1 LYS 13 3HZ LYS 13 -10.707 11.873 -4.880
119 HZ2 LYS 13 1HZ LYS 13 -9.769 13.206 -4.427
120 HZ3 LYS 13 2HZ LYS 13 -9.693 12.617 -6.010
121 H ASN 14 H ASN 14 -13.116 8.357 -6.621
122 HA ASN 14 HA ASN 14 -15.495 7.341 -7.978
123 HB2 ASN 14 2HB ASN 14 -13.369 8.028 -9.213
124 HB3 ASN 14 3HB ASN 14 -12.633 6.574 -8.546
125 HD21 ASN 14 1HD2 ASN 14 -12.392 6.155 -10.893
126 HD22 ASN 14 2HD2 ASN 14 -13.684 5.339 -11.700
127 H LYS 15 H LYS 15 -15.840 6.488 -5.584
128 HA LYS 15 HA LYS 15 -14.511 3.924 -5.170
129 HB2 LYS 15 2HB LYS 15 -16.401 5.568 -3.493
130 HB3 LYS 15 3HB LYS 15 -15.946 3.926 -3.057
131 HG2 LYS 15 2HG LYS 15 -13.854 4.520 -2.436
132 HG3 LYS 15 3HG LYS 15 -13.740 5.801 -3.645
133 HD2 LYS 15 2HD LYS 15 -13.873 7.051 -1.727
134 HD3 LYS 15 3HD LYS 15 -15.583 6.931 -2.146
135 HE2 LYS 15 2HE LYS 15 -16.054 5.573 -0.394
136 HE3 LYS 15 3HE LYS 15 -14.488 4.765 -0.462
137 HZ1 LYS 15 3HZ LYS 15 -14.548 7.563 0.388
138 HZ2 LYS 15 1HZ LYS 15 -13.528 6.307 0.880
139 HZ3 LYS 15 2HZ LYS 15 -15.106 6.398 1.480
140 H SER 16 H SER 16 -15.913 3.739 -7.431
141 HA SER 16 HA SER 16 -18.599 2.802 -6.957
142 HB2 SER 16 2HB SER 16 -18.731 2.469 -9.321
143 HB3 SER 16 3HB SER 16 -17.831 3.965 -9.074
144 HG SER 16 HG SER 16 -16.089 3.058 -9.863
145 H ARG 17 H ARG 17 -15.418 1.416 -7.345
146 HA ARG 17 HA ARG 17 -16.282 -1.266 -7.771
147 HB2 ARG 17 2HB ARG 17 -13.771 0.152 -7.530
148 HB3 ARG 17 3HB ARG 17 -13.728 -1.354 -6.623
149 HG2 ARG 17 2HG ARG 17 -12.902 -1.638 -8.902
150 HG3 ARG 17 3HG ARG 17 -14.355 -2.597 -8.609
151 HD2 ARG 17 2HD ARG 17 -15.639 -1.333 -10.009
152 HD3 ARG 17 3HD ARG 17 -14.704 0.133 -9.716
153 HE ARG 17 HE ARG 17 -13.459 -0.378 -11.552
154 HH11 ARG 17 1HH1 ARG 17 -14.942 -3.301 -10.378
155 HH12 ARG 17 2HH1 ARG 17 -14.359 -4.277 -11.686
156 HH21 ARG 17 1HH2 ARG 17 -12.686 -1.652 -13.279
157 HH22 ARG 17 2HH2 ARG 17 -13.075 -3.338 -13.335
Start of MODEL 5
1 H1 TRP 1 H TRP 1 0.032 -1.690 -1.540
2 HA TRP 1 HA TRP 1 2.942 -1.291 -1.590
3 HB2 TRP 1 2HB TRP 1 1.665 -2.809 -3.274
4 HB3 TRP 1 3HB TRP 1 1.195 -1.291 -4.033
5 HD1 TRP 1 HD1 TRP 1 4.675 -2.211 -2.598
6 HE1 TRP 1 HE1 TRP 1 6.402 -1.966 -4.491
7 HE3 TRP 1 HE3 TRP 1 1.507 -1.079 -6.447
8 HZ2 TRP 1 HZ2 TRP 1 6.419 -1.371 -7.250
9 HZ3 TRP 1 HZ3 TRP 1 2.459 -0.686 -8.682
10 HH2 TRP 1 HH2 TRP 1 4.865 -0.829 -9.073
11 H LYS 2 H LYS 2 3.476 0.739 -1.102
12 HA LYS 2 HA LYS 2 1.895 2.994 -1.197
13 HB2 LYS 2 2HB LYS 2 4.026 4.286 -1.231
14 HB3 LYS 2 3HB LYS 2 3.993 3.013 -0.018
15 HG2 LYS 2 2HG LYS 2 5.969 2.392 -0.819
16 HG3 LYS 2 3HG LYS 2 5.088 1.763 -2.213
17 HD2 LYS 2 2HD LYS 2 6.572 3.117 -3.294
18 HD3 LYS 2 3HD LYS 2 5.282 4.286 -3.005
19 HE2 LYS 2 2HE LYS 2 6.441 5.346 -1.315
20 HE3 LYS 2 3HE LYS 2 7.423 3.926 -0.957
21 HZ1 LYS 2 3HZ LYS 2 8.261 6.055 -2.371
22 HZ2 LYS 2 1HZ LYS 2 7.809 4.993 -3.608
23 HZ3 LYS 2 2HZ LYS 2 8.952 4.514 -2.458
24 H LEU 3 H LEU 3 3.500 1.366 -3.794
25 HA LEU 3 HA LEU 3 3.445 3.548 -5.642
26 HB2 LEU 3 2HB LEU 3 4.432 0.875 -5.575
27 HB3 LEU 3 3HB LEU 3 3.447 1.075 -7.023
28 HG LEU 3 HG LEU 3 5.677 1.532 -7.654
29 HD11 LEU 3 1HD1 LEU 3 5.309 4.310 -7.561
30 HD12 LEU 3 2HD1 LEU 3 3.696 3.603 -7.646
31 HD13 LEU 3 3HD1 LEU 3 4.897 3.209 -8.875
32 HD21 LEU 3 3HD2 LEU 3 5.917 3.582 -5.468
33 HD22 LEU 3 1HD2 LEU 3 7.188 2.921 -6.496
34 HD23 LEU 3 2HD2 LEU 3 6.435 1.907 -5.264
35 H LEU 4 H LEU 4 1.356 0.780 -4.969
36 HA LEU 4 HA LEU 4 -0.471 1.466 -7.102
37 HB2 LEU 4 2HB LEU 4 -0.034 -0.772 -5.312
38 HB3 LEU 4 3HB LEU 4 -1.742 -0.357 -5.442
39 HG LEU 4 HG LEU 4 -1.911 -1.194 -7.516
40 HD11 LEU 4 1HD1 LEU 4 0.770 0.059 -7.992
41 HD12 LEU 4 2HD1 LEU 4 -0.788 0.461 -8.712
42 HD13 LEU 4 3HD1 LEU 4 0.038 -1.026 -9.174
43 HD21 LEU 4 3HD2 LEU 4 0.654 -2.545 -7.596
44 HD22 LEU 4 1HD2 LEU 4 -0.973 -3.212 -7.458
45 HD23 LEU 4 2HD2 LEU 4 -0.117 -2.671 -6.014
46 H SER 5 H SER 5 -0.175 1.982 -3.672
47 HA SER 5 HA SER 5 -2.894 2.794 -3.267
48 HB2 SER 5 2HB SER 5 -0.388 2.961 -1.605
49 HB3 SER 5 3HB SER 5 -1.886 3.734 -1.084
50 HG SER 5 HG SER 5 -2.643 1.850 -0.555
51 H LYS 6 H LYS 6 -0.094 4.280 -4.523
52 HA LYS 6 HA LYS 6 -1.186 6.971 -4.083
53 HB2 LYS 6 2HB LYS 6 0.973 7.836 -4.519
54 HB3 LYS 6 3HB LYS 6 1.225 6.430 -3.492
55 HG2 LYS 6 2HG LYS 6 2.833 6.043 -5.043
56 HG3 LYS 6 3HG LYS 6 1.484 5.223 -5.833
57 HD2 LYS 6 2HD LYS 6 1.427 6.700 -7.521
58 HD3 LYS 6 3HD LYS 6 1.650 8.080 -6.441
59 HE2 LYS 6 2HE LYS 6 4.014 7.754 -6.397
60 HE3 LYS 6 3HE LYS 6 3.874 6.210 -7.236
61 HZ1 LYS 6 3HZ LYS 6 4.496 8.418 -8.496
62 HZ2 LYS 6 1HZ LYS 6 2.814 8.582 -8.575
63 HZ3 LYS 6 2HZ LYS 6 3.562 7.215 -9.232
64 H ALA 7 H ALA 7 -0.780 4.546 -6.457
65 HA ALA 7 HA ALA 7 -1.202 6.448 -8.650
66 HB1 ALA 7 1HB ALA 7 -0.589 3.500 -8.807
67 HB2 ALA 7 2HB ALA 7 -0.610 4.649 -10.145
68 HB3 ALA 7 3HB ALA 7 0.614 4.787 -8.883
69 H GLN 8 H GLN 8 -2.908 4.357 -6.625
70 HA GLN 8 HA GLN 8 -5.118 4.138 -8.559
71 HB2 GLN 8 2HB GLN 8 -4.629 2.494 -6.070
72 HB3 GLN 8 3HB GLN 8 -5.945 2.270 -7.214
73 HG2 GLN 8 2HG GLN 8 -4.419 1.608 -8.935
74 HG3 GLN 8 3HG GLN 8 -3.034 2.005 -7.920
75 HE21 GLN 8 1HE2 GLN 8 -4.345 -0.516 -9.193
76 HE22 GLN 8 2HE2 GLN 8 -4.230 -1.680 -7.922
77 H GLU 9 H GLU 9 -4.120 5.405 -5.506
78 HA GLU 9 HA GLU 9 -6.572 5.796 -4.238
79 HB2 GLU 9 2HB GLU 9 -4.710 6.231 -2.908
80 HB3 GLU 9 3HB GLU 9 -3.940 7.225 -4.137
81 HG2 GLU 9 2HG GLU 9 -5.406 9.041 -3.710
82 HG3 GLU 9 3HG GLU 9 -6.440 8.045 -2.686
83 H LYS 10 H LYS 10 -5.180 7.385 -6.969
84 HA LYS 10 HA LYS 10 -6.922 9.690 -6.817
85 HB2 LYS 10 2HB LYS 10 -5.829 10.460 -8.787
86 HB3 LYS 10 3HB LYS 10 -4.586 9.750 -7.765
87 HG2 LYS 10 2HG LYS 10 -5.639 7.741 -9.501
88 HG3 LYS 10 3HG LYS 10 -5.176 9.157 -10.448
89 HD2 LYS 10 2HD LYS 10 -3.386 7.864 -8.397
90 HD3 LYS 10 3HD LYS 10 -3.359 7.453 -10.113
91 HE2 LYS 10 2HE LYS 10 -2.318 9.372 -10.688
92 HE3 LYS 10 3HE LYS 10 -3.194 10.327 -9.493
93 HZ1 LYS 10 3HZ LYS 10 -0.648 8.949 -9.259
94 HZ2 LYS 10 1HZ LYS 10 -1.660 8.851 -7.906
95 HZ3 LYS 10 2HZ LYS 10 -1.190 10.362 -8.503
96 H PHE 11 H PHE 11 -7.674 6.666 -7.340
97 HA PHE 11 HA PHE 11 -9.556 7.271 -9.525
98 HB2 PHE 11 2HB PHE 11 -8.166 4.671 -8.868
99 HB3 PHE 11 3HB PHE 11 -9.530 4.785 -9.975
100 HD1 PHE 11 HD2 PHE 11 -8.968 7.202 -11.477
101 HD2 PHE 11 HD1 PHE 11 -6.315 4.154 -10.138
102 HE1 PHE 11 HE2 PHE 11 -7.428 7.738 -13.320
103 HE2 PHE 11 HE1 PHE 11 -4.770 4.686 -11.978
104 HZ PHE 11 HZ PHE 11 -5.326 6.479 -13.573
105 H GLY 12 H GLY 12 -9.791 7.564 -6.564
106 HA2 GLY 12 2HA GLY 12 -11.882 5.577 -5.992
107 HA3 GLY 12 3HA GLY 12 -11.071 6.579 -4.798
108 H LYS 13 H LYS 13 -13.035 7.027 -7.743
109 HA LYS 13 HA LYS 13 -14.466 9.180 -6.330
110 HB2 LYS 13 2HB LYS 13 -14.575 8.902 -9.301
111 HB3 LYS 13 3HB LYS 13 -14.691 10.349 -8.309
112 HG2 LYS 13 2HG LYS 13 -12.605 10.743 -8.994
113 HG3 LYS 13 3HG LYS 13 -12.145 9.534 -7.793
114 HD2 LYS 13 2HD LYS 13 -11.165 8.482 -9.516
115 HD3 LYS 13 3HD LYS 13 -12.802 7.979 -9.942
116 HE2 LYS 13 2HE LYS 13 -11.545 10.528 -10.935
117 HE3 LYS 13 3HE LYS 13 -11.442 8.999 -11.806
118 HZ1 LYS 13 3HZ LYS 13 -13.276 9.967 -12.755
119 HZ2 LYS 13 1HZ LYS 13 -13.788 10.701 -11.319
120 HZ3 LYS 13 2HZ LYS 13 -14.006 9.039 -11.543
121 H ASN 14 H ASN 14 -14.745 6.112 -7.829
122 HA ASN 14 HA ASN 14 -17.684 6.295 -7.710
123 HB2 ASN 14 2HB ASN 14 -17.698 4.408 -9.341
124 HB3 ASN 14 3HB ASN 14 -16.957 5.874 -9.978
125 HD21 ASN 14 1HD2 ASN 14 -16.425 2.621 -8.908
126 HD22 ASN 14 2HD2 ASN 14 -14.813 2.468 -9.511
127 H LYS 15 H LYS 15 -16.145 5.794 -5.412
128 HA LYS 15 HA LYS 15 -16.767 2.958 -4.901
129 HB2 LYS 15 2HB LYS 15 -15.007 3.028 -3.154
130 HB3 LYS 15 3HB LYS 15 -14.378 3.305 -4.773
131 HG2 LYS 15 2HG LYS 15 -13.381 5.117 -3.987
132 HG3 LYS 15 3HG LYS 15 -14.979 5.842 -3.794
133 HD2 LYS 15 2HD LYS 15 -14.289 6.033 -1.642
134 HD3 LYS 15 3HD LYS 15 -14.893 4.376 -1.553
135 HE2 LYS 15 2HE LYS 15 -12.621 3.549 -2.011
136 HE3 LYS 15 3HE LYS 15 -12.034 5.211 -2.041
137 HZ1 LYS 15 3HZ LYS 15 -12.602 5.471 0.249
138 HZ2 LYS 15 1HZ LYS 15 -11.679 4.061 0.102
139 HZ3 LYS 15 2HZ LYS 15 -13.355 3.957 0.303
140 H SER 16 H SER 16 -18.558 5.241 -4.661
141 HA SER 16 HA SER 16 -19.031 5.169 -1.752
142 HB2 SER 16 2HB SER 16 -20.097 7.371 -1.953
143 HB3 SER 16 3HB SER 16 -18.431 7.429 -2.529
144 HG SER 16 HG SER 16 -20.785 7.807 -3.897
145 H ARG 17 H ARG 17 -19.954 3.309 -3.831
146 HA ARG 17 HA ARG 17 -22.774 3.866 -4.165
147 HB2 ARG 17 2HB ARG 17 -22.864 1.890 -5.476
148 HB3 ARG 17 3HB ARG 17 -21.342 2.675 -5.875
149 HG2 ARG 17 2HG ARG 17 -20.310 1.117 -4.114
150 HG3 ARG 17 3HG ARG 17 -21.812 0.202 -4.258
151 HD2 ARG 17 2HD ARG 17 -20.742 0.865 -6.855
152 HD3 ARG 17 3HD ARG 17 -19.550 0.006 -5.879
153 HE ARG 17 HE ARG 17 -21.925 -1.078 -7.034
154 HH11 ARG 17 1HH1 ARG 17 -19.735 -1.344 -4.341
155 HH12 ARG 17 2HH1 ARG 17 -20.087 -3.016 -4.052
156 HH21 ARG 17 1HH2 ARG 17 -22.396 -3.279 -6.664
157 HH22 ARG 17 2HH2 ARG 17 -21.600 -4.116 -5.375
Start of MODEL 6
1 H1 TRP 1 H TRP 1 3.588 1.995 0.944
2 HA TRP 1 HA TRP 1 5.065 1.434 -0.885
3 HB2 TRP 1 2HB TRP 1 3.691 -0.763 -1.130
4 HB3 TRP 1 3HB TRP 1 2.727 0.163 -2.277
5 HD1 TRP 1 HD1 TRP 1 6.584 0.198 -1.898
6 HE1 TRP 1 HE1 TRP 1 7.609 -0.468 -4.163
7 HE3 TRP 1 HE3 TRP 1 2.284 -0.841 -4.461
8 HZ2 TRP 1 HZ2 TRP 1 6.713 -1.320 -6.701
9 HZ3 TRP 1 HZ3 TRP 1 2.455 -1.575 -6.803
10 HH2 TRP 1 HH2 TRP 1 4.625 -1.808 -7.898
11 H LYS 2 H LYS 2 5.298 3.453 -1.600
12 HA LYS 2 HA LYS 2 3.333 5.308 -2.146
13 HB2 LYS 2 2HB LYS 2 5.043 6.522 -3.448
14 HB3 LYS 2 3HB LYS 2 5.668 5.932 -1.914
15 HG2 LYS 2 2HG LYS 2 7.385 5.219 -3.160
16 HG3 LYS 2 3HG LYS 2 6.311 3.872 -3.544
17 HD2 LYS 2 2HD LYS 2 7.128 4.639 -5.618
18 HD3 LYS 2 3HD LYS 2 5.488 5.280 -5.493
19 HE2 LYS 2 2HE LYS 2 6.970 6.997 -6.323
20 HE3 LYS 2 3HE LYS 2 6.418 7.424 -4.704
21 HZ1 LYS 2 3HZ LYS 2 8.880 7.706 -5.240
22 HZ2 LYS 2 1HZ LYS 2 8.983 6.021 -5.124
23 HZ3 LYS 2 2HZ LYS 2 8.482 6.932 -3.790
24 H LEU 3 H LEU 3 4.406 2.658 -4.087
25 HA LEU 3 HA LEU 3 3.386 3.638 -6.576
26 HB2 LEU 3 2HB LEU 3 4.870 1.382 -5.652
27 HB3 LEU 3 3HB LEU 3 3.500 0.812 -6.603
28 HG LEU 3 HG LEU 3 5.334 0.988 -8.086
29 HD11 LEU 3 1HD1 LEU 3 3.921 1.812 -9.582
30 HD12 LEU 3 2HD1 LEU 3 4.459 3.432 -9.140
31 HD13 LEU 3 3HD1 LEU 3 3.060 2.718 -8.338
32 HD21 LEU 3 3HD2 LEU 3 5.746 3.809 -7.102
33 HD22 LEU 3 1HD2 LEU 3 6.694 2.975 -8.334
34 HD23 LEU 3 2HD2 LEU 3 6.740 2.420 -6.660
35 H LEU 4 H LEU 4 2.189 1.508 -4.029
36 HA LEU 4 HA LEU 4 -0.271 0.966 -5.453
37 HB2 LEU 4 2HB LEU 4 1.112 -0.072 -3.126
38 HB3 LEU 4 3HB LEU 4 -0.608 0.162 -2.818
39 HG LEU 4 HG LEU 4 -1.195 -1.600 -4.074
40 HD11 LEU 4 1HD1 LEU 4 0.914 -0.654 -5.983
41 HD12 LEU 4 2HD1 LEU 4 -0.835 -0.707 -6.198
42 HD13 LEU 4 3HD1 LEU 4 0.099 -2.203 -6.201
43 HD21 LEU 4 3HD2 LEU 4 0.117 -3.286 -3.443
44 HD22 LEU 4 1HD2 LEU 4 1.230 -2.067 -2.820
45 HD23 LEU 4 2HD2 LEU 4 1.455 -2.718 -4.444
46 H SER 5 H SER 5 0.884 3.131 -2.986
47 HA SER 5 HA SER 5 -1.711 3.931 -2.066
48 HB2 SER 5 2HB SER 5 1.077 4.992 -1.659
49 HB3 SER 5 3HB SER 5 -0.330 5.873 -1.065
50 HG SER 5 HG SER 5 0.469 3.239 -0.381
51 H LYS 6 H LYS 6 0.265 4.722 -4.738
52 HA LYS 6 HA LYS 6 -1.162 7.239 -5.213
53 HB2 LYS 6 2HB LYS 6 0.532 7.798 -6.775
54 HB3 LYS 6 3HB LYS 6 1.362 7.111 -5.385
55 HG2 LYS 6 2HG LYS 6 2.454 6.011 -7.037
56 HG3 LYS 6 3HG LYS 6 1.113 4.887 -6.801
57 HD2 LYS 6 2HD LYS 6 0.276 5.295 -8.839
58 HD3 LYS 6 3HD LYS 6 0.504 7.038 -8.678
59 HE2 LYS 6 2HE LYS 6 2.523 7.000 -9.698
60 HE3 LYS 6 3HE LYS 6 2.959 5.436 -9.013
61 HZ1 LYS 6 3HZ LYS 6 2.687 5.247 -11.381
62 HZ2 LYS 6 1HZ LYS 6 1.130 5.903 -11.305
63 HZ3 LYS 6 2HZ LYS 6 1.444 4.391 -10.616
64 H ALA 7 H ALA 7 -0.998 3.966 -6.241
65 HA ALA 7 HA ALA 7 -2.491 4.539 -8.697
66 HB1 ALA 7 1HB ALA 7 -1.349 1.915 -7.747
67 HB2 ALA 7 2HB ALA 7 -2.040 2.254 -9.334
68 HB3 ALA 7 3HB ALA 7 -0.539 3.037 -8.841
69 H GLN 8 H GLN 8 -2.995 3.643 -5.481
70 HA GLN 8 HA GLN 8 -5.582 2.396 -6.119
71 HB2 GLN 8 2HB GLN 8 -4.012 1.072 -4.711
72 HB3 GLN 8 3HB GLN 8 -4.074 2.345 -3.500
73 HG2 GLN 8 2HG GLN 8 -6.180 1.801 -2.827
74 HG3 GLN 8 3HG GLN 8 -6.638 1.158 -4.403
75 HE21 GLN 8 1HE2 GLN 8 -7.510 -0.465 -2.760
76 HE22 GLN 8 2HE2 GLN 8 -6.482 -1.808 -2.408
77 H GLU 9 H GLU 9 -4.044 5.110 -4.627
78 HA GLU 9 HA GLU 9 -6.057 6.020 -2.929
79 HB2 GLU 9 2HB GLU 9 -4.006 7.132 -2.749
80 HB3 GLU 9 3HB GLU 9 -3.897 7.409 -4.482
81 HG2 GLU 9 2HG GLU 9 -5.659 9.062 -4.360
82 HG3 GLU 9 3HG GLU 9 -5.862 8.748 -2.638
83 H LYS 10 H LYS 10 -5.795 6.127 -6.396
84 HA LYS 10 HA LYS 10 -7.992 8.002 -6.680
85 HB2 LYS 10 2HB LYS 10 -7.652 7.603 -9.126
86 HB3 LYS 10 3HB LYS 10 -6.225 8.201 -8.290
87 HG2 LYS 10 2HG LYS 10 -5.036 6.388 -8.800
88 HG3 LYS 10 3HG LYS 10 -6.354 5.296 -8.369
89 HD2 LYS 10 2HD LYS 10 -6.244 4.883 -10.612
90 HD3 LYS 10 3HD LYS 10 -7.379 6.235 -10.625
91 HE2 LYS 10 2HE LYS 10 -5.635 7.775 -11.188
92 HE3 LYS 10 3HE LYS 10 -4.399 6.539 -10.958
93 HZ1 LYS 10 3HZ LYS 10 -4.954 5.493 -12.912
94 HZ2 LYS 10 1HZ LYS 10 -5.209 7.113 -13.329
95 HZ3 LYS 10 2HZ LYS 10 -6.525 6.120 -12.948
96 H PHE 11 H PHE 11 -8.114 5.108 -5.566
97 HA PHE 11 HA PHE 11 -10.403 4.263 -7.218
98 HB2 PHE 11 2HB PHE 11 -8.276 2.634 -5.853
99 HB3 PHE 11 3HB PHE 11 -9.847 1.935 -6.229
100 HD1 PHE 11 HD1 PHE 11 -6.738 3.276 -7.622
101 HD2 PHE 11 HD2 PHE 11 -10.488 1.462 -8.496
102 HE1 PHE 11 HE1 PHE 11 -5.970 2.798 -9.910
103 HE2 PHE 11 HE2 PHE 11 -9.725 0.980 -10.785
104 HZ PHE 11 HZ PHE 11 -7.464 1.648 -11.495
105 H GLY 12 H GLY 12 -10.362 6.072 -4.910
106 HA2 GLY 12 2HA GLY 12 -11.698 4.465 -2.847
107 HA3 GLY 12 3HA GLY 12 -11.117 6.112 -2.652
108 H LYS 13 H LYS 13 -12.353 6.812 -5.310
109 HA LYS 13 HA LYS 13 -15.108 7.103 -4.314
110 HB2 LYS 13 2HB LYS 13 -14.009 8.835 -6.485
111 HB3 LYS 13 3HB LYS 13 -15.226 9.204 -5.270
112 HG2 LYS 13 2HG LYS 13 -13.605 10.371 -4.281
113 HG3 LYS 13 3HG LYS 13 -13.007 8.802 -3.736
114 HD2 LYS 13 2HD LYS 13 -11.129 9.126 -4.878
115 HD3 LYS 13 3HD LYS 13 -12.057 9.226 -6.376
116 HE2 LYS 13 2HE LYS 13 -12.507 11.664 -5.676
117 HE3 LYS 13 3HE LYS 13 -11.164 11.437 -4.557
118 HZ1 LYS 13 3HZ LYS 13 -11.118 11.850 -7.385
119 HZ2 LYS 13 1HZ LYS 13 -10.224 10.487 -6.934
120 HZ3 LYS 13 2HZ LYS 13 -9.867 11.995 -6.256
121 H ASN 14 H ASN 14 -13.160 5.815 -6.821
122 HA ASN 14 HA ASN 14 -15.411 5.533 -8.658
123 HB2 ASN 14 2HB ASN 14 -12.912 6.105 -9.266
124 HB3 ASN 14 3HB ASN 14 -12.712 4.357 -9.192
125 HD21 ASN 14 1HD2 ASN 14 -12.212 5.504 -11.527
126 HD22 ASN 14 2HD2 ASN 14 -13.473 5.198 -12.667
127 H LYS 15 H LYS 15 -16.173 4.176 -6.593
128 HA LYS 15 HA LYS 15 -15.401 1.369 -7.040
129 HB2 LYS 15 2HB LYS 15 -16.442 2.823 -4.624
130 HB3 LYS 15 3HB LYS 15 -16.603 1.077 -4.761
131 HG2 LYS 15 2HG LYS 15 -14.471 0.739 -4.226
132 HG3 LYS 15 3HG LYS 15 -13.908 1.987 -5.341
133 HD2 LYS 15 2HD LYS 15 -13.262 2.803 -3.260
134 HD3 LYS 15 3HD LYS 15 -14.781 3.647 -3.567
135 HE2 LYS 15 2HE LYS 15 -15.745 1.498 -2.313
136 HE3 LYS 15 3HE LYS 15 -14.137 1.534 -1.590
137 HZ1 LYS 15 3HZ LYS 15 -15.842 2.797 -0.338
138 HZ2 LYS 15 1HZ LYS 15 -15.978 3.861 -1.647
139 HZ3 LYS 15 2HZ LYS 15 -14.516 3.737 -0.805
140 H SER 16 H SER 16 -18.056 3.632 -6.943
141 HA SER 16 HA SER 16 -19.926 1.468 -7.637
142 HB2 SER 16 2HB SER 16 -20.180 3.456 -5.732
143 HB3 SER 16 3HB SER 16 -21.118 4.083 -7.088
144 HG SER 16 HG SER 16 -21.666 2.013 -5.399
145 H ARG 17 H ARG 17 -18.605 4.541 -8.660
146 HA ARG 17 HA ARG 17 -20.370 4.837 -10.905
147 HB2 ARG 17 2HB ARG 17 -17.713 6.208 -10.507
148 HB3 ARG 17 3HB ARG 17 -19.078 6.761 -11.468
149 HG2 ARG 17 2HG ARG 17 -19.051 6.506 -8.468
150 HG3 ARG 17 3HG ARG 17 -18.845 8.007 -9.374
151 HD2 ARG 17 2HD ARG 17 -21.045 8.247 -9.577
152 HD3 ARG 17 3HD ARG 17 -21.199 6.632 -10.268
153 HE ARG 17 HE ARG 17 -21.885 5.853 -8.223
154 HH11 ARG 17 1HH1 ARG 17 -20.505 9.027 -7.849
155 HH12 ARG 17 2HH1 ARG 17 -21.005 9.193 -6.198
156 HH21 ARG 17 1HH2 ARG 17 -22.550 6.059 -6.051
157 HH22 ARG 17 2HH2 ARG 17 -22.167 7.504 -5.176
Start of MODEL 7
1 H1 TRP 1 H TRP 1 3.175 -0.217 0.806
2 HA TRP 1 HA TRP 1 4.620 0.315 -0.867
3 HB2 TRP 1 2HB TRP 1 3.307 -1.666 -1.929
4 HB3 TRP 1 3HB TRP 1 2.542 -0.418 -2.909
5 HD1 TRP 1 HD1 TRP 1 6.285 -0.660 -1.935
6 HE1 TRP 1 HE1 TRP 1 7.667 -0.720 -4.105
7 HE3 TRP 1 HE3 TRP 1 2.462 -0.761 -5.327
8 HZ2 TRP 1 HZ2 TRP 1 7.198 -0.800 -6.888
9 HZ3 TRP 1 HZ3 TRP 1 3.014 -0.828 -7.724
10 HH2 TRP 1 HH2 TRP 1 5.333 -0.847 -8.486
11 H LYS 2 H LYS 2 4.964 2.440 -0.945
12 HA LYS 2 HA LYS 2 3.112 4.459 -1.254
13 HB2 LYS 2 2HB LYS 2 5.044 5.884 -1.958
14 HB3 LYS 2 3HB LYS 2 5.326 4.965 -0.485
15 HG2 LYS 2 2HG LYS 2 6.181 3.496 -2.820
16 HG3 LYS 2 3HG LYS 2 6.958 5.078 -2.725
17 HD2 LYS 2 2HD LYS 2 7.770 4.612 -0.515
18 HD3 LYS 2 3HD LYS 2 6.844 3.111 -0.441
19 HE2 LYS 2 2HE LYS 2 9.165 2.618 -0.903
20 HE3 LYS 2 3HE LYS 2 8.182 2.226 -2.313
21 HZ1 LYS 2 3HZ LYS 2 9.847 4.658 -1.952
22 HZ2 LYS 2 1HZ LYS 2 8.840 4.367 -3.280
23 HZ3 LYS 2 2HZ LYS 2 10.171 3.364 -2.992
24 H LEU 3 H LEU 3 4.491 2.400 -3.662
25 HA LEU 3 HA LEU 3 3.893 4.073 -5.908
26 HB2 LEU 3 2HB LEU 3 5.213 1.590 -5.428
27 HB3 LEU 3 3HB LEU 3 4.015 1.360 -6.701
28 HG LEU 3 HG LEU 3 6.059 1.857 -7.776
29 HD11 LEU 3 1HD1 LEU 3 3.854 3.684 -7.887
30 HD12 LEU 3 2HD1 LEU 3 4.912 3.127 -9.184
31 HD13 LEU 3 3HD1 LEU 3 5.361 4.536 -8.224
32 HD21 LEU 3 3HD2 LEU 3 7.443 3.772 -7.247
33 HD22 LEU 3 1HD2 LEU 3 7.218 2.778 -5.808
34 HD23 LEU 3 2HD2 LEU 3 6.309 4.278 -5.994
35 H LEU 4 H LEU 4 2.295 1.385 -4.274
36 HA LEU 4 HA LEU 4 0.104 1.363 -6.165
37 HB2 LEU 4 2HB LEU 4 1.088 -0.335 -4.032
38 HB3 LEU 4 3HB LEU 4 -0.659 -0.117 -3.943
39 HG LEU 4 HG LEU 4 -1.034 -1.439 -5.715
40 HD11 LEU 4 1HD1 LEU 4 1.357 -0.101 -6.933
41 HD12 LEU 4 2HD1 LEU 4 -0.335 -0.013 -7.424
42 HD13 LEU 4 3HD1 LEU 4 0.587 -1.492 -7.697
43 HD21 LEU 4 3HD2 LEU 4 1.155 -2.341 -4.279
44 HD22 LEU 4 1HD2 LEU 4 1.640 -2.529 -5.965
45 HD23 LEU 4 2HD2 LEU 4 0.159 -3.290 -5.383
46 H SER 5 H SER 5 0.835 2.713 -3.041
47 HA SER 5 HA SER 5 -1.878 3.346 -2.362
48 HB2 SER 5 2HB SER 5 0.803 4.119 -1.231
49 HB3 SER 5 3HB SER 5 -0.683 4.870 -0.649
50 HG SER 5 HG SER 5 -0.246 3.090 0.625
51 H LYS 6 H LYS 6 0.513 4.748 -4.357
52 HA LYS 6 HA LYS 6 -0.805 7.367 -4.323
53 HB2 LYS 6 2HB LYS 6 1.122 8.245 -5.391
54 HB3 LYS 6 3HB LYS 6 1.712 7.162 -4.137
55 HG2 LYS 6 2HG LYS 6 3.050 6.502 -5.843
56 HG3 LYS 6 3HG LYS 6 1.681 5.427 -6.137
57 HD2 LYS 6 2HD LYS 6 1.577 6.267 -8.197
58 HD3 LYS 6 3HD LYS 6 1.044 7.788 -7.476
59 HE2 LYS 6 2HE LYS 6 2.869 8.696 -8.384
60 HE3 LYS 6 3HE LYS 6 3.781 7.843 -7.140
61 HZ1 LYS 6 3HZ LYS 6 3.171 6.176 -9.382
62 HZ2 LYS 6 1HZ LYS 6 4.663 6.489 -8.646
63 HZ3 LYS 6 2HZ LYS 6 4.067 7.538 -9.832
64 H ALA 7 H ALA 7 -0.499 4.499 -6.190
65 HA ALA 7 HA ALA 7 -1.585 5.804 -8.581
66 HB1 ALA 7 1HB ALA 7 -1.029 3.781 -9.770
67 HB2 ALA 7 2HB ALA 7 0.372 4.316 -8.842
68 HB3 ALA 7 3HB ALA 7 -0.608 2.969 -8.262
69 H GLN 8 H GLN 8 -2.583 4.068 -5.864
70 HA GLN 8 HA GLN 8 -5.024 3.132 -7.210
71 HB2 GLN 8 2HB GLN 8 -3.694 1.440 -5.960
72 HB3 GLN 8 3HB GLN 8 -3.970 2.359 -4.486
73 HG2 GLN 8 2HG GLN 8 -6.182 1.769 -4.365
74 HG3 GLN 8 3HG GLN 8 -6.310 1.478 -6.099
75 HE21 GLN 8 1HE2 GLN 8 -7.438 -0.422 -4.905
76 HE22 GLN 8 2HE2 GLN 8 -6.461 -1.831 -4.698
77 H GLU 9 H GLU 9 -3.782 5.324 -4.844
78 HA GLU 9 HA GLU 9 -6.033 5.831 -3.295
79 HB2 GLU 9 2HB GLU 9 -5.037 8.137 -3.013
80 HB3 GLU 9 3HB GLU 9 -3.969 6.795 -2.627
81 HG2 GLU 9 2HG GLU 9 -2.780 7.051 -4.672
82 HG3 GLU 9 3HG GLU 9 -3.956 8.217 -5.275
83 H LYS 10 H LYS 10 -5.374 6.640 -6.583
84 HA LYS 10 HA LYS 10 -7.441 8.669 -6.727
85 HB2 LYS 10 2HB LYS 10 -6.806 8.922 -9.029
86 HB3 LYS 10 3HB LYS 10 -5.338 8.812 -8.067
87 HG2 LYS 10 2HG LYS 10 -5.179 6.413 -8.685
88 HG3 LYS 10 3HG LYS 10 -6.563 6.643 -9.757
89 HD2 LYS 10 2HD LYS 10 -3.931 8.110 -9.937
90 HD3 LYS 10 3HD LYS 10 -4.440 6.776 -10.976
91 HE2 LYS 10 2HE LYS 10 -5.265 8.339 -12.338
92 HE3 LYS 10 3HE LYS 10 -6.542 8.551 -11.141
93 HZ1 LYS 10 3HZ LYS 10 -4.283 10.263 -11.761
94 HZ2 LYS 10 1HZ LYS 10 -4.637 10.098 -10.115
95 HZ3 LYS 10 2HZ LYS 10 -5.821 10.665 -11.182
96 H PHE 11 H PHE 11 -7.869 5.676 -6.136
97 HA PHE 11 HA PHE 11 -9.973 5.263 -8.158
98 HB2 PHE 11 2HB PHE 11 -8.222 3.239 -6.761
99 HB3 PHE 11 3HB PHE 11 -9.696 2.795 -7.614
100 HD1 PHE 11 HD2 PHE 11 -6.583 4.770 -8.195
101 HD2 PHE 11 HD1 PHE 11 -9.495 2.106 -9.789
102 HE1 PHE 11 HE2 PHE 11 -5.323 4.661 -10.305
103 HE2 PHE 11 HE1 PHE 11 -8.238 1.991 -11.902
104 HZ PHE 11 HZ PHE 11 -6.150 3.271 -12.162
105 H GLY 12 H GLY 12 -10.276 6.752 -5.737
106 HA2 GLY 12 2HA GLY 12 -11.847 4.947 -4.030
107 HA3 GLY 12 3HA GLY 12 -11.290 6.552 -3.582
108 H LYS 13 H LYS 13 -12.207 7.417 -6.386
109 HA LYS 13 HA LYS 13 -14.792 8.323 -5.553
110 HB2 LYS 13 2HB LYS 13 -13.595 9.871 -6.850
111 HB3 LYS 13 3HB LYS 13 -13.143 8.661 -8.043
112 HG2 LYS 13 2HG LYS 13 -16.032 9.170 -7.745
113 HG3 LYS 13 3HG LYS 13 -15.070 10.483 -8.428
114 HD2 LYS 13 2HD LYS 13 -14.111 8.299 -9.772
115 HD3 LYS 13 3HD LYS 13 -15.820 7.900 -9.582
116 HE2 LYS 13 2HE LYS 13 -15.983 10.495 -10.338
117 HE3 LYS 13 3HE LYS 13 -14.526 9.995 -11.196
118 HZ1 LYS 13 3HZ LYS 13 -16.014 9.328 -12.724
119 HZ2 LYS 13 1HZ LYS 13 -17.286 9.204 -11.615
120 HZ3 LYS 13 2HZ LYS 13 -16.149 7.959 -11.740
121 H ASN 14 H ASN 14 -13.589 5.708 -7.481
122 HA ASN 14 HA ASN 14 -16.040 5.174 -8.861
123 HB2 ASN 14 2HB ASN 14 -13.408 4.330 -9.115
124 HB3 ASN 14 3HB ASN 14 -14.255 2.886 -8.565
125 HD21 ASN 14 1HD2 ASN 14 -16.343 2.450 -9.751
126 HD22 ASN 14 2HD2 ASN 14 -16.316 2.668 -11.465
127 H LYS 15 H LYS 15 -14.845 4.523 -5.728
128 HA LYS 15 HA LYS 15 -16.957 2.515 -5.292
129 HB2 LYS 15 2HB LYS 15 -14.404 2.956 -3.732
130 HB3 LYS 15 3HB LYS 15 -15.633 1.757 -3.351
131 HG2 LYS 15 2HG LYS 15 -14.944 0.344 -4.956
132 HG3 LYS 15 3HG LYS 15 -14.575 1.645 -6.091
133 HD2 LYS 15 2HD LYS 15 -12.432 1.858 -5.360
134 HD3 LYS 15 3HD LYS 15 -12.842 1.419 -3.699
135 HE2 LYS 15 2HE LYS 15 -11.667 -0.440 -4.330
136 HE3 LYS 15 3HE LYS 15 -13.296 -0.934 -4.789
137 HZ1 LYS 15 3HZ LYS 15 -11.224 0.188 -6.597
138 HZ2 LYS 15 1HZ LYS 15 -12.809 -0.182 -7.058
139 HZ3 LYS 15 2HZ LYS 15 -11.764 -1.415 -6.560
140 H SER 16 H SER 16 -17.805 5.076 -5.321
141 HA SER 16 HA SER 16 -17.746 6.211 -2.667
142 HB2 SER 16 2HB SER 16 -17.813 7.735 -4.547
143 HB3 SER 16 3HB SER 16 -19.285 6.981 -5.157
144 HG SER 16 HG SER 16 -18.928 8.710 -2.990
145 H ARG 17 H ARG 17 -20.183 4.694 -4.762
146 HA ARG 17 HA ARG 17 -21.937 4.412 -2.418
147 HB2 ARG 17 2HB ARG 17 -23.750 4.025 -4.051
148 HB3 ARG 17 3HB ARG 17 -22.976 5.589 -4.267
149 HG2 ARG 17 2HG ARG 17 -21.547 3.922 -5.940
150 HG3 ARG 17 3HG ARG 17 -23.213 3.362 -6.104
151 HD2 ARG 17 2HD ARG 17 -23.512 6.076 -6.172
152 HD3 ARG 17 3HD ARG 17 -21.964 5.859 -6.987
153 HE ARG 17 HE ARG 17 -23.837 4.032 -8.026
154 HH11 ARG 17 1HH1 ARG 17 -23.105 7.436 -8.009
155 HH12 ARG 17 2HH1 ARG 17 -23.822 7.730 -9.559
156 HH21 ARG 17 1HH2 ARG 17 -24.784 4.407 -10.067
157 HH22 ARG 17 2HH2 ARG 17 -24.777 6.007 -10.728
Start of MODEL 8
1 H1 TRP 1 H TRP 1 2.289 -0.747 0.356
2 HA TRP 1 HA TRP 1 3.875 0.167 -1.028
3 HB2 TRP 1 2HB TRP 1 2.620 -1.709 -2.323
4 HB3 TRP 1 3HB TRP 1 1.948 -0.382 -3.266
5 HD1 TRP 1 HD1 TRP 1 5.604 -0.763 -2.036
6 HE1 TRP 1 HE1 TRP 1 7.144 -0.699 -4.097
7 HE3 TRP 1 HE3 TRP 1 2.047 -0.554 -5.702
8 HZ2 TRP 1 HZ2 TRP 1 6.886 -0.575 -6.905
9 HZ3 TRP 1 HZ3 TRP 1 2.777 -0.465 -8.050
10 HH2 TRP 1 HH2 TRP 1 5.147 -0.475 -8.637
11 H LYS 2 H LYS 2 4.252 2.286 -0.920
12 HA LYS 2 HA LYS 2 2.463 4.358 -1.228
13 HB2 LYS 2 2HB LYS 2 4.479 5.781 -1.710
14 HB3 LYS 2 3HB LYS 2 4.602 4.791 -0.261
15 HG2 LYS 2 2HG LYS 2 5.640 3.485 -2.654
16 HG3 LYS 2 3HG LYS 2 6.487 4.975 -2.230
17 HD2 LYS 2 2HD LYS 2 6.440 3.939 0.183
18 HD3 LYS 2 3HD LYS 2 6.237 2.424 -0.700
19 HE2 LYS 2 2HE LYS 2 8.270 3.582 -2.083
20 HE3 LYS 2 3HE LYS 2 8.584 4.174 -0.452
21 HZ1 LYS 2 3HZ LYS 2 9.519 1.881 -1.280
22 HZ2 LYS 2 1HZ LYS 2 7.998 1.327 -0.787
23 HZ3 LYS 2 2HZ LYS 2 9.018 2.095 0.322
24 H LEU 3 H LEU 3 4.004 2.452 -3.667
25 HA LEU 3 HA LEU 3 3.605 4.285 -5.827
26 HB2 LEU 3 2HB LEU 3 4.846 1.754 -5.425
27 HB3 LEU 3 3HB LEU 3 3.730 1.617 -6.782
28 HG LEU 3 HG LEU 3 5.843 2.142 -7.697
29 HD11 LEU 3 1HD1 LEU 3 3.683 4.031 -7.820
30 HD12 LEU 3 2HD1 LEU 3 4.784 3.503 -9.091
31 HD13 LEU 3 3HD1 LEU 3 5.230 4.849 -8.042
32 HD21 LEU 3 3HD2 LEU 3 6.048 4.524 -5.868
33 HD22 LEU 3 1HD2 LEU 3 7.281 3.877 -6.950
34 HD23 LEU 3 2HD2 LEU 3 6.795 2.965 -5.520
35 H LEU 4 H LEU 4 1.840 1.514 -4.530
36 HA LEU 4 HA LEU 4 -0.201 1.685 -6.571
37 HB2 LEU 4 2HB LEU 4 0.579 -0.179 -4.493
38 HB3 LEU 4 3HB LEU 4 -1.165 0.074 -4.527
39 HG LEU 4 HG LEU 4 -1.421 -1.111 -6.414
40 HD11 LEU 4 1HD1 LEU 4 0.362 -1.069 -8.255
41 HD12 LEU 4 2HD1 LEU 4 1.085 0.251 -7.337
42 HD13 LEU 4 3HD1 LEU 4 -0.558 0.406 -7.959
43 HD21 LEU 4 3HD2 LEU 4 0.621 -2.168 -4.873
44 HD22 LEU 4 1HD2 LEU 4 1.244 -2.248 -6.521
45 HD23 LEU 4 2HD2 LEU 4 -0.295 -3.011 -6.123
46 H SER 5 H SER 5 0.304 2.782 -3.304
47 HA SER 5 HA SER 5 -2.438 3.438 -2.793
48 HB2 SER 5 2HB SER 5 0.157 4.102 -1.410
49 HB3 SER 5 3HB SER 5 -1.378 4.789 -0.878
50 HG SER 5 HG SER 5 -1.165 2.953 0.281
51 H LYS 6 H LYS 6 0.107 4.906 -4.521
52 HA LYS 6 HA LYS 6 -1.181 7.542 -4.411
53 HB2 LYS 6 2HB LYS 6 0.847 8.479 -5.193
54 HB3 LYS 6 3HB LYS 6 1.308 7.289 -3.983
55 HG2 LYS 6 2HG LYS 6 2.807 6.762 -5.600
56 HG3 LYS 6 3HG LYS 6 1.473 5.727 -6.114
57 HD2 LYS 6 2HD LYS 6 1.151 6.892 -8.004
58 HD3 LYS 6 3HD LYS 6 1.336 8.445 -7.185
59 HE2 LYS 6 2HE LYS 6 3.662 6.652 -7.839
60 HE3 LYS 6 3HE LYS 6 3.068 7.887 -8.947
61 HZ1 LYS 6 3HZ LYS 6 3.642 9.585 -7.460
62 HZ2 LYS 6 1HZ LYS 6 4.967 8.532 -7.435
63 HZ3 LYS 6 2HZ LYS 6 3.852 8.517 -6.164
64 H ALA 7 H ALA 7 -0.789 4.790 -6.391
65 HA ALA 7 HA ALA 7 -1.579 6.270 -8.802
66 HB1 ALA 7 1HB ALA 7 -0.935 4.307 -10.057
67 HB2 ALA 7 2HB ALA 7 0.379 4.781 -8.979
68 HB3 ALA 7 3HB ALA 7 -0.651 3.411 -8.564
69 H GLN 8 H GLN 8 -2.873 4.404 -6.314
70 HA GLN 8 HA GLN 8 -5.194 3.643 -7.957
71 HB2 GLN 8 2HB GLN 8 -4.332 2.520 -5.286
72 HB3 GLN 8 3HB GLN 8 -5.703 1.975 -6.243
73 HG2 GLN 8 2HG GLN 8 -3.029 1.950 -7.522
74 HG3 GLN 8 3HG GLN 8 -3.368 0.739 -6.286
75 HE21 GLN 8 1HE2 GLN 8 -5.479 -0.428 -6.584
76 HE22 GLN 8 2HE2 GLN 8 -5.894 -0.893 -8.196
77 H GLU 9 H GLU 9 -4.097 5.568 -5.326
78 HA GLU 9 HA GLU 9 -6.407 5.933 -3.833
79 HB2 GLU 9 2HB GLU 9 -5.447 8.234 -3.350
80 HB3 GLU 9 3HB GLU 9 -4.402 6.866 -2.996
81 HG2 GLU 9 2HG GLU 9 -3.089 7.254 -4.929
82 HG3 GLU 9 3HG GLU 9 -4.244 8.429 -5.556
83 H LYS 10 H LYS 10 -5.655 7.003 -7.021
84 HA LYS 10 HA LYS 10 -7.712 9.041 -7.078
85 HB2 LYS 10 2HB LYS 10 -7.084 9.261 -9.465
86 HB3 LYS 10 3HB LYS 10 -5.708 9.422 -8.380
87 HG2 LYS 10 2HG LYS 10 -4.656 7.873 -9.554
88 HG3 LYS 10 3HG LYS 10 -5.869 6.698 -9.039
89 HD2 LYS 10 2HD LYS 10 -6.004 6.542 -11.339
90 HD3 LYS 10 3HD LYS 10 -7.277 7.711 -10.983
91 HE2 LYS 10 2HE LYS 10 -6.287 9.165 -12.337
92 HE3 LYS 10 3HE LYS 10 -4.878 9.167 -11.277
93 HZ1 LYS 10 3HZ LYS 10 -3.749 8.239 -12.922
94 HZ2 LYS 10 1HZ LYS 10 -5.138 8.091 -13.876
95 HZ3 LYS 10 2HZ LYS 10 -4.718 6.859 -12.796
96 H PHE 11 H PHE 11 -8.166 6.013 -6.695
97 HA PHE 11 HA PHE 11 -10.247 5.758 -8.766
98 HB2 PHE 11 2HB PHE 11 -8.546 3.615 -7.487
99 HB3 PHE 11 3HB PHE 11 -9.992 3.264 -8.428
100 HD1 PHE 11 HD2 PHE 11 -9.753 5.219 -10.613
101 HD2 PHE 11 HD1 PHE 11 -6.802 2.774 -8.759
102 HE1 PHE 11 HE2 PHE 11 -8.419 5.267 -12.679
103 HE2 PHE 11 HE1 PHE 11 -5.463 2.820 -10.823
104 HZ PHE 11 HZ PHE 11 -6.271 4.067 -12.787
105 H GLY 12 H GLY 12 -10.524 7.053 -6.207
106 HA2 GLY 12 2HA GLY 12 -12.057 5.157 -4.594
107 HA3 GLY 12 3HA GLY 12 -11.627 6.799 -4.137
108 H LYS 13 H LYS 13 -13.220 5.641 -7.085
109 HA LYS 13 HA LYS 13 -15.540 7.310 -6.365
110 HB2 LYS 13 2HB LYS 13 -14.860 6.569 -9.193
111 HB3 LYS 13 3HB LYS 13 -15.822 7.919 -8.606
112 HG2 LYS 13 2HG LYS 13 -14.035 9.201 -8.843
113 HG3 LYS 13 3HG LYS 13 -13.281 8.307 -7.521
114 HD2 LYS 13 2HD LYS 13 -11.702 7.830 -9.051
115 HD3 LYS 13 3HD LYS 13 -12.859 6.618 -9.605
116 HE2 LYS 13 2HE LYS 13 -12.430 9.390 -10.705
117 HE3 LYS 13 3HE LYS 13 -12.108 7.855 -11.509
118 HZ1 LYS 13 3HZ LYS 13 -14.727 9.073 -10.876
119 HZ2 LYS 13 1HZ LYS 13 -14.577 7.428 -11.244
120 HZ3 LYS 13 2HZ LYS 13 -14.127 8.594 -12.384
121 H ASN 14 H ASN 14 -14.432 4.179 -7.193
122 HA ASN 14 HA ASN 14 -17.088 3.216 -7.905
123 HB2 ASN 14 2HB ASN 14 -14.323 2.106 -8.030
124 HB3 ASN 14 3HB ASN 14 -15.662 0.968 -7.903
125 HD21 ASN 14 1HD2 ASN 14 -16.768 0.466 -9.678
126 HD22 ASN 14 2HD2 ASN 14 -16.588 1.237 -11.214
127 H LYS 15 H LYS 15 -15.068 3.500 -5.167
128 HA LYS 15 HA LYS 15 -16.466 1.395 -3.699
129 HB2 LYS 15 2HB LYS 15 -14.249 3.210 -2.738
130 HB3 LYS 15 3HB LYS 15 -14.838 1.754 -1.946
131 HG2 LYS 15 2HG LYS 15 -13.483 1.832 -4.634
132 HG3 LYS 15 3HG LYS 15 -12.702 1.412 -3.108
133 HD2 LYS 15 2HD LYS 15 -15.039 -0.169 -3.327
134 HD3 LYS 15 3HD LYS 15 -14.197 -0.257 -4.876
135 HE2 LYS 15 2HE LYS 15 -12.236 -1.090 -3.879
136 HE3 LYS 15 3HE LYS 15 -12.766 -0.634 -2.261
137 HZ1 LYS 15 3HZ LYS 15 -13.742 -2.593 -2.017
138 HZ2 LYS 15 1HZ LYS 15 -13.079 -3.086 -3.494
139 HZ3 LYS 15 2HZ LYS 15 -14.628 -2.407 -3.446
140 H SER 16 H SER 16 -16.034 4.896 -3.719
141 HA SER 16 HA SER 16 -17.339 5.558 -1.364
142 HB2 SER 16 2HB SER 16 -16.179 6.994 -3.342
143 HB3 SER 16 3HB SER 16 -17.878 7.323 -3.681
144 HG SER 16 HG SER 16 -16.811 8.785 -2.162
145 H ARG 17 H ARG 17 -18.656 4.687 -4.497
146 HA ARG 17 HA ARG 17 -21.345 5.428 -3.906
147 HB2 ARG 17 2HB ARG 17 -20.294 3.480 -5.968
148 HB3 ARG 17 3HB ARG 17 -21.917 4.155 -5.925
149 HG2 ARG 17 2HG ARG 17 -19.367 5.703 -6.331
150 HG3 ARG 17 3HG ARG 17 -20.544 5.284 -7.576
151 HD2 ARG 17 2HD ARG 17 -22.036 6.519 -5.581
152 HD3 ARG 17 3HD ARG 17 -20.554 7.468 -5.678
153 HE ARG 17 HE ARG 17 -21.488 7.027 -8.277
154 HH11 ARG 17 1HH1 ARG 17 -22.402 8.738 -5.386
155 HH12 ARG 17 2HH1 ARG 17 -23.257 9.982 -6.236
156 HH21 ARG 17 1HH2 ARG 17 -22.611 8.659 -9.407
157 HH22 ARG 17 2HH2 ARG 17 -23.376 9.935 -8.523
Start of MODEL 9
1 H1 TRP 1 H TRP 1 1.990 -2.733 -1.577
2 HA TRP 1 HA TRP 1 3.639 -1.243 -2.075
3 HB2 TRP 1 2HB TRP 1 3.174 -2.486 -4.314
4 HB3 TRP 1 3HB TRP 1 2.458 -0.959 -4.822
5 HD1 TRP 1 HD1 TRP 1 5.717 -1.450 -2.783
6 HE1 TRP 1 HE1 TRP 1 7.638 -0.327 -4.077
7 HE3 TRP 1 HE3 TRP 1 3.154 -0.036 -6.975
8 HZ2 TRP 1 HZ2 TRP 1 8.016 0.985 -6.548
9 HZ3 TRP 1 HZ3 TRP 1 4.369 1.149 -8.756
10 HH2 TRP 1 HH2 TRP 1 6.750 1.649 -8.545
11 H LYS 2 H LYS 2 3.495 0.645 -1.049
12 HA LYS 2 HA LYS 2 1.398 2.435 -1.053
13 HB2 LYS 2 2HB LYS 2 3.067 4.126 -0.276
14 HB3 LYS 2 3HB LYS 2 3.127 2.604 0.602
15 HG2 LYS 2 2HG LYS 2 4.922 2.709 -1.700
16 HG3 LYS 2 3HG LYS 2 5.275 3.907 -0.453
17 HD2 LYS 2 2HD LYS 2 4.729 1.119 0.417
18 HD3 LYS 2 3HD LYS 2 6.274 1.448 -0.371
19 HE2 LYS 2 2HE LYS 2 6.490 1.660 2.037
20 HE3 LYS 2 3HE LYS 2 6.715 3.226 1.260
21 HZ1 LYS 2 3HZ LYS 2 5.304 3.332 3.253
22 HZ2 LYS 2 1HZ LYS 2 4.179 2.313 2.506
23 HZ3 LYS 2 2HZ LYS 2 4.490 3.846 1.862
24 H LEU 3 H LEU 3 3.840 1.958 -3.450
25 HA LEU 3 HA LEU 3 3.542 4.500 -4.735
26 HB2 LEU 3 2HB LEU 3 5.199 2.191 -4.997
27 HB3 LEU 3 3HB LEU 3 4.504 2.575 -6.570
28 HG LEU 3 HG LEU 3 6.603 3.658 -6.471
29 HD11 LEU 3 1HD1 LEU 3 5.646 5.396 -7.459
30 HD12 LEU 3 2HD1 LEU 3 5.474 6.153 -5.876
31 HD13 LEU 3 3HD1 LEU 3 4.165 5.168 -6.529
32 HD21 LEU 3 3HD2 LEU 3 7.289 5.122 -4.665
33 HD22 LEU 3 1HD2 LEU 3 6.906 3.519 -4.035
34 HD23 LEU 3 2HD2 LEU 3 5.761 4.845 -3.828
35 H LEU 4 H LEU 4 2.206 1.267 -5.206
36 HA LEU 4 HA LEU 4 0.712 2.079 -7.547
37 HB2 LEU 4 2HB LEU 4 1.407 -0.405 -6.225
38 HB3 LEU 4 3HB LEU 4 -0.293 -0.362 -6.687
39 HG LEU 4 HG LEU 4 0.169 -0.626 -8.865
40 HD11 LEU 4 1HD1 LEU 4 0.980 1.506 -9.354
41 HD12 LEU 4 2HD1 LEU 4 2.255 0.425 -9.915
42 HD13 LEU 4 3HD1 LEU 4 2.435 1.279 -8.383
43 HD21 LEU 4 3HD2 LEU 4 2.001 -2.003 -7.313
44 HD22 LEU 4 1HD2 LEU 4 2.979 -1.284 -8.593
45 HD23 LEU 4 2HD2 LEU 4 1.611 -2.317 -9.005
46 H SER 5 H SER 5 0.190 1.705 -4.126
47 HA SER 5 HA SER 5 -2.674 1.753 -4.269
48 HB2 SER 5 2HB SER 5 -0.680 1.995 -2.025
49 HB3 SER 5 3HB SER 5 -2.401 2.262 -1.749
50 HG SER 5 HG SER 5 -1.108 -0.046 -1.888
51 H LYS 6 H LYS 6 -0.199 4.102 -4.389
52 HA LYS 6 HA LYS 6 -2.034 6.265 -3.646
53 HB2 LYS 6 2HB LYS 6 -0.137 7.668 -3.412
54 HB3 LYS 6 3HB LYS 6 0.304 6.132 -2.677
55 HG2 LYS 6 2HG LYS 6 2.186 6.510 -3.882
56 HG3 LYS 6 3HG LYS 6 1.242 5.660 -5.108
57 HD2 LYS 6 2HD LYS 6 1.150 7.465 -6.423
58 HD3 LYS 6 3HD LYS 6 0.705 8.517 -5.077
59 HE2 LYS 6 2HE LYS 6 3.512 7.557 -5.217
60 HE3 LYS 6 3HE LYS 6 3.004 8.775 -6.386
61 HZ1 LYS 6 3HZ LYS 6 3.425 10.244 -4.790
62 HZ2 LYS 6 1HZ LYS 6 3.545 9.055 -3.593
63 HZ3 LYS 6 2HZ LYS 6 2.032 9.687 -4.008
64 H ALA 7 H ALA 7 -0.556 4.761 -6.358
65 HA ALA 7 HA ALA 7 -1.178 7.034 -8.102
66 HB1 ALA 7 1HB ALA 7 0.139 5.924 -9.789
67 HB2 ALA 7 2HB ALA 7 1.056 5.991 -8.283
68 HB3 ALA 7 3HB ALA 7 0.284 4.485 -8.779
69 H GLN 8 H GLN 8 -2.490 4.107 -7.047
70 HA GLN 8 HA GLN 8 -4.163 3.852 -9.451
71 HB2 GLN 8 2HB GLN 8 -2.901 1.834 -8.721
72 HB3 GLN 8 3HB GLN 8 -3.788 1.866 -7.203
73 HG2 GLN 8 2HG GLN 8 -5.712 1.107 -8.144
74 HG3 GLN 8 3HG GLN 8 -5.362 1.833 -9.712
75 HE21 GLN 8 1HE2 GLN 8 -4.356 -0.759 -7.535
76 HE22 GLN 8 2HE2 GLN 8 -3.890 -1.865 -8.778
77 H GLU 9 H GLU 9 -4.188 4.601 -6.075
78 HA GLU 9 HA GLU 9 -6.845 4.138 -5.407
79 HB2 GLU 9 2HB GLU 9 -6.523 6.022 -3.757
80 HB3 GLU 9 3HB GLU 9 -5.331 4.733 -3.675
81 HG2 GLU 9 2HG GLU 9 -3.700 6.063 -4.784
82 HG3 GLU 9 3HG GLU 9 -4.890 7.306 -5.164
83 H LYS 10 H LYS 10 -5.472 6.509 -7.490
84 HA LYS 10 HA LYS 10 -7.777 8.261 -7.413
85 HB2 LYS 10 2HB LYS 10 -6.575 9.502 -9.198
86 HB3 LYS 10 3HB LYS 10 -5.613 9.281 -7.743
87 HG2 LYS 10 2HG LYS 10 -4.014 8.268 -8.889
88 HG3 LYS 10 3HG LYS 10 -5.162 7.104 -9.554
89 HD2 LYS 10 2HD LYS 10 -5.395 8.244 -11.498
90 HD3 LYS 10 3HD LYS 10 -5.237 9.819 -10.716
91 HE2 LYS 10 2HE LYS 10 -2.962 7.905 -11.223
92 HE3 LYS 10 3HE LYS 10 -3.360 9.287 -12.242
93 HZ1 LYS 10 3HZ LYS 10 -2.121 9.220 -9.603
94 HZ2 LYS 10 1HZ LYS 10 -3.178 10.504 -9.915
95 HZ3 LYS 10 2HZ LYS 10 -1.831 10.256 -10.908
96 H PHE 11 H PHE 11 -7.735 5.336 -8.413
97 HA PHE 11 HA PHE 11 -9.098 5.877 -10.970
98 HB2 PHE 11 2HB PHE 11 -7.446 3.487 -10.145
99 HB3 PHE 11 3HB PHE 11 -8.488 3.495 -11.564
100 HD1 PHE 11 HD2 PHE 11 -8.020 6.213 -12.599
101 HD2 PHE 11 HD1 PHE 11 -5.299 3.353 -11.009
102 HE1 PHE 11 HE2 PHE 11 -6.204 7.209 -13.926
103 HE2 PHE 11 HE1 PHE 11 -3.477 4.345 -12.333
104 HZ PHE 11 HZ PHE 11 -3.929 6.275 -13.795
105 H GLY 12 H GLY 12 -9.450 4.844 -7.803
106 HA2 GLY 12 2HA GLY 12 -11.627 2.985 -8.324
107 HA3 GLY 12 3HA GLY 12 -11.000 3.443 -6.748
108 H LYS 13 H LYS 13 -12.497 5.155 -9.497
109 HA LYS 13 HA LYS 13 -13.838 7.002 -7.783
110 HB2 LYS 13 2HB LYS 13 -13.316 7.832 -9.919
111 HB3 LYS 13 3HB LYS 13 -13.955 6.407 -10.728
112 HG2 LYS 13 2HG LYS 13 -15.897 7.958 -9.149
113 HG3 LYS 13 3HG LYS 13 -15.247 8.758 -10.582
114 HD2 LYS 13 2HD LYS 13 -16.319 7.367 -11.998
115 HD3 LYS 13 3HD LYS 13 -16.056 5.956 -10.970
116 HE2 LYS 13 2HE LYS 13 -18.175 6.084 -10.318
117 HE3 LYS 13 3HE LYS 13 -17.824 7.644 -9.577
118 HZ1 LYS 13 3HZ LYS 13 -19.190 7.043 -12.063
119 HZ2 LYS 13 1HZ LYS 13 -18.120 8.352 -12.127
120 HZ3 LYS 13 2HZ LYS 13 -19.387 8.349 -11.006
121 H ASN 14 H ASN 14 -14.620 3.911 -9.141
122 HA ASN 14 HA ASN 14 -17.441 4.074 -8.938
123 HB2 ASN 14 2HB ASN 14 -16.292 2.380 -10.313
124 HB3 ASN 14 3HB ASN 14 -15.660 1.628 -8.851
125 HD21 ASN 14 1HD2 ASN 14 -18.724 2.619 -10.327
126 HD22 ASN 14 2HD2 ASN 14 -19.633 1.263 -9.761
127 H LYS 15 H LYS 15 -14.967 3.719 -6.610
128 HA LYS 15 HA LYS 15 -16.953 2.925 -4.581
129 HB2 LYS 15 2HB LYS 15 -14.036 2.276 -4.861
130 HB3 LYS 15 3HB LYS 15 -14.795 2.269 -3.274
131 HG2 LYS 15 2HG LYS 15 -15.227 0.125 -3.731
132 HG3 LYS 15 3HG LYS 15 -16.551 0.771 -4.704
133 HD2 LYS 15 2HD LYS 15 -15.360 -0.788 -6.061
134 HD3 LYS 15 3HD LYS 15 -14.969 0.830 -6.650
135 HE2 LYS 15 2HE LYS 15 -12.818 0.759 -5.796
136 HE3 LYS 15 3HE LYS 15 -13.220 -0.484 -4.613
137 HZ1 LYS 15 3HZ LYS 15 -11.852 -1.114 -6.686
138 HZ2 LYS 15 1HZ LYS 15 -13.340 -1.094 -7.491
139 HZ3 LYS 15 2HZ LYS 15 -13.099 -2.144 -6.188
140 H SER 16 H SER 16 -17.026 5.506 -5.136
141 HA SER 16 HA SER 16 -15.203 7.243 -3.983
142 HB2 SER 16 2HB SER 16 -17.203 7.855 -5.405
143 HB3 SER 16 3HB SER 16 -18.198 7.660 -3.962
144 HG SER 16 HG SER 16 -17.037 9.826 -4.659
145 H ARG 17 H ARG 17 -18.206 6.026 -2.486
146 HA ARG 17 HA ARG 17 -17.168 6.798 0.137
147 HB2 ARG 17 2HB ARG 17 -19.911 5.748 -0.572
148 HB3 ARG 17 3HB ARG 17 -19.423 6.475 0.952
149 HG2 ARG 17 2HG ARG 17 -19.903 8.498 0.198
150 HG3 ARG 17 3HG ARG 17 -18.854 8.273 -1.203
151 HD2 ARG 17 2HD ARG 17 -20.787 8.476 -2.346
152 HD3 ARG 17 3HD ARG 17 -20.961 6.768 -1.942
153 HE ARG 17 HE ARG 17 -22.052 8.501 0.059
154 HH11 ARG 17 1HH1 ARG 17 -22.676 6.961 -3.000
155 HH12 ARG 17 2HH1 ARG 17 -24.397 6.974 -2.804
156 HH21 ARG 17 1HH2 ARG 17 -24.317 8.525 0.329
157 HH22 ARG 17 2HH2 ARG 17 -25.329 7.865 -0.911
Start of MODEL 10
1 H1 TRP 1 H TRP 1 0.455 -1.595 -0.484
2 HA TRP 1 HA TRP 1 2.329 -0.723 -1.446
3 HB2 TRP 1 2HB TRP 1 1.572 -2.313 -3.361
4 HB3 TRP 1 3HB TRP 1 1.041 -0.834 -4.158
5 HD1 TRP 1 HD1 TRP 1 4.318 -1.378 -2.160
6 HE1 TRP 1 HE1 TRP 1 6.294 -0.830 -3.715
7 HE3 TRP 1 HE3 TRP 1 1.728 -0.465 -6.472
8 HZ2 TRP 1 HZ2 TRP 1 6.702 -0.105 -6.412
9 HZ3 TRP 1 HZ3 TRP 1 2.987 0.151 -8.495
10 HH2 TRP 1 HH2 TRP 1 5.421 0.327 -8.464
11 H LYS 2 H LYS 2 2.486 1.332 -0.810
12 HA LYS 2 HA LYS 2 0.674 3.375 -1.137
13 HB2 LYS 2 2HB LYS 2 2.669 4.915 -0.854
14 HB3 LYS 2 3HB LYS 2 2.453 3.695 0.395
15 HG2 LYS 2 2HG LYS 2 4.146 2.778 -1.782
16 HG3 LYS 2 3HG LYS 2 4.774 4.220 -0.981
17 HD2 LYS 2 2HD LYS 2 3.757 2.110 0.807
18 HD3 LYS 2 3HD LYS 2 5.205 1.696 -0.113
19 HE2 LYS 2 2HE LYS 2 6.061 4.011 0.692
20 HE3 LYS 2 3HE LYS 2 4.799 3.862 1.913
21 HZ1 LYS 2 3HZ LYS 2 5.867 1.550 2.290
22 HZ2 LYS 2 1HZ LYS 2 6.598 2.922 2.956
23 HZ3 LYS 2 2HZ LYS 2 7.220 2.235 1.541
24 H LEU 3 H LEU 3 2.925 2.097 -3.442
25 HA LEU 3 HA LEU 3 2.897 4.328 -5.222
26 HB2 LEU 3 2HB LEU 3 4.188 1.795 -5.047
27 HB3 LEU 3 3HB LEU 3 3.442 1.934 -6.638
28 HG LEU 3 HG LEU 3 5.668 2.686 -6.871
29 HD11 LEU 3 1HD1 LEU 3 4.929 5.394 -6.766
30 HD12 LEU 3 2HD1 LEU 3 3.468 4.491 -7.165
31 HD13 LEU 3 3HD1 LEU 3 4.911 4.318 -8.164
32 HD21 LEU 3 3HD2 LEU 3 5.246 4.591 -4.577
33 HD22 LEU 3 1HD2 LEU 3 6.744 4.272 -5.451
34 HD23 LEU 3 2HD2 LEU 3 6.041 3.024 -4.421
35 H LEU 4 H LEU 4 1.108 1.284 -5.021
36 HA LEU 4 HA LEU 4 -0.402 1.845 -7.416
37 HB2 LEU 4 2HB LEU 4 -0.011 -0.394 -5.617
38 HB3 LEU 4 3HB LEU 4 -1.709 -0.177 -6.035
39 HG LEU 4 HG LEU 4 -1.419 -0.956 -8.116
40 HD11 LEU 4 1HD1 LEU 4 1.121 0.636 -8.112
41 HD12 LEU 4 2HD1 LEU 4 -0.338 0.876 -9.072
42 HD13 LEU 4 3HD1 LEU 4 0.733 -0.480 -9.422
43 HD21 LEU 4 3HD2 LEU 4 1.278 -1.969 -7.783
44 HD22 LEU 4 1HD2 LEU 4 -0.248 -2.841 -7.937
45 HD23 LEU 4 2HD2 LEU 4 0.276 -2.254 -6.358
46 H SER 5 H SER 5 -0.785 2.234 -3.974
47 HA SER 5 HA SER 5 -3.603 2.688 -4.018
48 HB2 SER 5 2HB SER 5 -1.436 3.165 -1.984
49 HB3 SER 5 3HB SER 5 -3.082 3.737 -1.711
50 HG SER 5 HG SER 5 -2.702 1.634 -0.847
51 H LYS 6 H LYS 6 -0.850 4.593 -4.749
52 HA LYS 6 HA LYS 6 -2.336 7.100 -4.481
53 HB2 LYS 6 2HB LYS 6 -0.320 8.206 -4.455
54 HB3 LYS 6 3HB LYS 6 0.164 6.659 -3.772
55 HG2 LYS 6 2HG LYS 6 0.629 6.086 -6.307
56 HG3 LYS 6 3HG LYS 6 0.776 7.841 -6.424
57 HD2 LYS 6 2HD LYS 6 2.189 6.540 -4.174
58 HD3 LYS 6 3HD LYS 6 2.827 6.233 -5.791
59 HE2 LYS 6 2HE LYS 6 2.677 8.788 -6.094
60 HE3 LYS 6 3HE LYS 6 2.542 8.841 -4.337
61 HZ1 LYS 6 3HZ LYS 6 4.646 7.371 -4.425
62 HZ2 LYS 6 1HZ LYS 6 4.796 9.038 -4.674
63 HZ3 LYS 6 2HZ LYS 6 4.817 7.980 -5.994
64 H ALA 7 H ALA 7 -1.246 4.835 -6.844
65 HA ALA 7 HA ALA 7 -1.756 6.702 -9.040
66 HB1 ALA 7 1HB ALA 7 -0.756 5.048 -10.484
67 HB2 ALA 7 2HB ALA 7 0.297 5.331 -9.097
68 HB3 ALA 7 3HB ALA 7 -0.702 3.880 -9.163
69 H GLN 8 H GLN 8 -3.335 4.322 -7.240
70 HA GLN 8 HA GLN 8 -5.243 3.779 -9.411
71 HB2 GLN 8 2HB GLN 8 -4.218 1.798 -8.353
72 HB3 GLN 8 3HB GLN 8 -4.860 2.309 -6.797
73 HG2 GLN 8 2HG GLN 8 -6.956 1.626 -7.278
74 HG3 GLN 8 3HG GLN 8 -6.812 2.022 -8.990
75 HE21 GLN 8 1HE2 GLN 8 -5.824 -0.303 -6.533
76 HE22 GLN 8 2HE2 GLN 8 -5.678 -1.649 -7.606
77 H GLU 9 H GLU 9 -4.852 5.266 -6.316
78 HA GLU 9 HA GLU 9 -7.482 5.354 -5.403
79 HB2 GLU 9 2HB GLU 9 -5.867 6.085 -3.879
80 HB3 GLU 9 3HB GLU 9 -5.120 7.169 -5.044
81 HG2 GLU 9 2HG GLU 9 -7.006 8.676 -4.902
82 HG3 GLU 9 3HG GLU 9 -7.834 7.570 -3.808
83 H LYS 10 H LYS 10 -5.907 7.133 -7.939
84 HA LYS 10 HA LYS 10 -8.046 9.077 -8.166
85 HB2 LYS 10 2HB LYS 10 -6.746 10.104 -9.862
86 HB3 LYS 10 3HB LYS 10 -5.605 9.578 -8.631
87 HG2 LYS 10 2HG LYS 10 -5.378 7.458 -10.106
88 HG3 LYS 10 3HG LYS 10 -6.074 8.479 -11.367
89 HD2 LYS 10 2HD LYS 10 -3.704 8.637 -11.555
90 HD3 LYS 10 3HD LYS 10 -4.276 10.158 -10.865
91 HE2 LYS 10 2HE LYS 10 -3.494 9.614 -8.729
92 HE3 LYS 10 3HE LYS 10 -3.355 7.900 -9.117
93 HZ1 LYS 10 3HZ LYS 10 -1.231 9.293 -9.012
94 HZ2 LYS 10 1HZ LYS 10 -1.705 9.909 -10.515
95 HZ3 LYS 10 2HZ LYS 10 -1.426 8.251 -10.331
96 H PHE 11 H PHE 11 -8.182 6.007 -8.716
97 HA PHE 11 HA PHE 11 -9.576 6.260 -11.300
98 HB2 PHE 11 2HB PHE 11 -7.950 3.974 -10.194
99 HB3 PHE 11 3HB PHE 11 -9.100 3.754 -11.510
100 HD1 PHE 11 HD2 PHE 11 -6.063 5.629 -10.514
101 HD2 PHE 11 HD1 PHE 11 -8.506 4.245 -13.713
102 HE1 PHE 11 HE2 PHE 11 -4.343 6.332 -12.127
103 HE2 PHE 11 HE1 PHE 11 -6.789 4.944 -15.331
104 HZ PHE 11 HZ PHE 11 -4.705 5.991 -14.539
105 H GLY 12 H GLY 12 -9.597 4.932 -8.057
106 HA2 GLY 12 2HA GLY 12 -12.249 3.766 -8.474
107 HA3 GLY 12 3HA GLY 12 -11.238 3.560 -7.051
108 H LYS 13 H LYS 13 -12.614 6.356 -8.788
109 HA LYS 13 HA LYS 13 -12.903 8.036 -6.622
110 HB2 LYS 13 2HB LYS 13 -14.853 9.023 -7.974
111 HB3 LYS 13 3HB LYS 13 -13.264 8.999 -8.727
112 HG2 LYS 13 2HG LYS 13 -14.819 6.602 -9.279
113 HG3 LYS 13 3HG LYS 13 -15.594 8.084 -9.846
114 HD2 LYS 13 2HD LYS 13 -12.693 7.700 -10.396
115 HD3 LYS 13 3HD LYS 13 -13.857 6.772 -11.345
116 HE2 LYS 13 2HE LYS 13 -15.017 9.123 -11.595
117 HE3 LYS 13 3HE LYS 13 -13.394 9.714 -11.243
118 HZ1 LYS 13 3HZ LYS 13 -12.968 9.418 -13.387
119 HZ2 LYS 13 1HZ LYS 13 -14.416 8.582 -13.647
120 HZ3 LYS 13 2HZ LYS 13 -13.041 7.749 -13.121
121 H ASN 14 H ASN 14 -15.041 5.462 -7.716
122 HA ASN 14 HA ASN 14 -16.820 5.997 -5.438
123 HB2 ASN 14 2HB ASN 14 -17.271 5.122 -8.166
124 HB3 ASN 14 3HB ASN 14 -17.980 3.997 -7.012
125 HD21 ASN 14 1HD2 ASN 14 -18.611 6.621 -8.819
126 HD22 ASN 14 2HD2 ASN 14 -19.886 7.330 -7.893
127 H LYS 15 H LYS 15 -14.456 3.844 -6.635
128 HA LYS 15 HA LYS 15 -15.234 1.446 -5.389
129 HB2 LYS 15 2HB LYS 15 -13.182 2.206 -7.035
130 HB3 LYS 15 3HB LYS 15 -12.339 1.943 -5.514
131 HG2 LYS 15 2HG LYS 15 -12.217 -0.173 -6.246
132 HG3 LYS 15 3HG LYS 15 -13.860 -0.280 -5.610
133 HD2 LYS 15 2HD LYS 15 -14.758 0.230 -7.823
134 HD3 LYS 15 3HD LYS 15 -13.119 0.373 -8.463
135 HE2 LYS 15 2HE LYS 15 -12.971 -1.828 -8.752
136 HE3 LYS 15 3HE LYS 15 -13.459 -2.133 -7.085
137 HZ1 LYS 15 3HZ LYS 15 -15.140 -1.942 -9.497
138 HZ2 LYS 15 1HZ LYS 15 -15.806 -1.635 -7.972
139 HZ3 LYS 15 2HZ LYS 15 -15.116 -3.143 -8.306
140 H SER 16 H SER 16 -12.823 3.851 -4.320
141 HA SER 16 HA SER 16 -12.252 2.766 -1.843
142 HB2 SER 16 2HB SER 16 -11.094 4.694 -1.438
143 HB3 SER 16 3HB SER 16 -11.377 4.940 -3.161
144 HG SER 16 HG SER 16 -13.369 6.053 -2.427
145 H ARG 17 H ARG 17 -15.024 4.618 -2.864
146 HA ARG 17 HA ARG 17 -15.992 4.924 -0.135
147 HB2 ARG 17 2HB ARG 17 -16.352 6.820 -1.547
148 HB3 ARG 17 3HB ARG 17 -17.065 5.822 -2.808
149 HG2 ARG 17 2HG ARG 17 -18.416 5.724 -0.196
150 HG3 ARG 17 3HG ARG 17 -18.488 7.269 -1.045
151 HD2 ARG 17 2HD ARG 17 -19.226 5.944 -3.082
152 HD3 ARG 17 3HD ARG 17 -19.442 4.578 -1.987
153 HE ARG 17 HE ARG 17 -21.158 6.848 -2.267
154 HH11 ARG 17 1HH1 ARG 17 -20.023 4.424 -0.041
155 HH12 ARG 17 2HH1 ARG 17 -21.437 4.492 0.957
156 HH21 ARG 17 1HH2 ARG 17 -23.025 6.947 -0.959
157 HH22 ARG 17 2HH2 ARG 17 -23.144 5.927 0.434
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