Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
635290 | 5z32 RC | 36150 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H VAL 1 1.292 1.509 -0.604
2 HA VAL 1 HA VAL 1 3.604 0.099 0.402
3 HB VAL 1 HB VAL 1 2.000 -0.956 -1.181
4 HG11 VAL 1 1HG1 VAL 1 1.845 -0.333 -3.436
5 HG12 VAL 1 2HG1 VAL 1 1.775 1.191 -2.549
6 HG13 VAL 1 3HG1 VAL 1 3.273 0.697 -3.340
7 HG21 VAL 1 1HG2 VAL 1 4.848 -0.743 -2.154
8 HG22 VAL 1 2HG2 VAL 1 4.248 -1.851 -0.920
9 HG23 VAL 1 3HG2 VAL 1 3.708 -2.016 -2.590
10 H ALA 2 H ALA 2 5.722 0.417 -0.153
11 HA ALA 2 HA ALA 2 6.315 2.841 -1.724
12 HB1 ALA 2 1HB ALA 2 7.529 3.656 -0.055
13 HB2 ALA 2 2HB ALA 2 6.924 2.345 0.958
14 HB3 ALA 2 3HB ALA 2 8.443 2.153 0.083
15 H ARG 3 H ARG 3 7.281 -0.439 -0.904
16 HA ARG 3 HA ARG 3 9.650 -0.645 -2.326
17 HB2 ARG 3 2HB ARG 3 9.196 -3.056 -2.442
18 HB3 ARG 3 3HB ARG 3 8.846 -2.408 -0.846
19 HG2 ARG 3 2HG ARG 3 6.499 -2.477 -1.249
20 HG3 ARG 3 3HG ARG 3 6.749 -2.869 -2.951
21 HD2 ARG 3 2HD ARG 3 7.411 -5.041 -2.487
22 HD3 ARG 3 3HD ARG 3 7.848 -4.657 -0.822
23 HE ARG 3 HE ARG 3 5.710 -5.152 -0.209
24 HH11 ARG 3 1HH1 ARG 3 5.755 -4.466 -3.622
25 HH12 ARG 3 2HH1 ARG 3 4.090 -4.883 -3.860
26 HH21 ARG 3 1HH2 ARG 3 3.517 -5.703 -0.509
27 HH22 ARG 3 2HH2 ARG 3 2.818 -5.585 -2.088
28 H GLY 4 H GLY 4 6.378 -0.485 -3.477
29 HA2 GLY 4 2HA GLY 4 7.370 -0.913 -6.229
30 HA3 GLY 4 3HA GLY 4 5.758 -1.378 -5.705
31 H TRP 5 H TRP 5 6.565 1.483 -4.221
32 HA TRP 5 HA TRP 5 5.271 3.056 -6.351
33 HB2 TRP 5 2HB TRP 5 4.088 2.531 -4.011
34 HB3 TRP 5 3HB TRP 5 5.031 3.934 -3.519
35 HD1 TRP 5 HD1 TRP 5 2.021 2.934 -5.604
36 HE1 TRP 5 HE1 TRP 5 0.792 5.059 -6.379
37 HE3 TRP 5 HE3 TRP 5 5.453 6.434 -4.150
38 HZ2 TRP 5 HZ2 TRP 5 1.220 7.849 -6.375
39 HZ3 TRP 5 HZ3 TRP 5 4.967 8.809 -4.573
40 HH2 TRP 5 HH2 TRP 5 2.894 9.499 -5.663
41 H GLY 6 H GLY 6 7.152 3.565 -3.354
42 HA2 GLY 6 2HA GLY 6 8.201 6.055 -4.059
43 HA3 GLY 6 3HA GLY 6 8.929 4.946 -2.906
44 H ARG 7 H ARG 7 9.209 2.848 -4.987
45 HA ARG 7 HA ARG 7 11.836 3.412 -5.787
46 HB2 ARG 7 2HB ARG 7 11.507 1.419 -7.325
47 HB3 ARG 7 3HB ARG 7 11.215 1.135 -5.614
48 HG2 ARG 7 2HG ARG 7 9.012 0.748 -5.913
49 HG3 ARG 7 3HG ARG 7 8.872 1.918 -7.227
50 HD2 ARG 7 2HD ARG 7 8.522 -0.321 -8.075
51 HD3 ARG 7 3HD ARG 7 10.021 0.341 -8.725
52 HE ARG 7 HE ARG 7 10.758 -1.059 -6.482
53 HH11 ARG 7 1HH1 ARG 7 9.107 -1.783 -9.461
54 HH12 ARG 7 2HH1 ARG 7 9.649 -3.428 -9.513
55 HH21 ARG 7 1HH2 ARG 7 11.478 -3.223 -6.540
56 HH22 ARG 7 2HH2 ARG 7 10.997 -4.246 -7.851
57 H LYS 8 H LYS 8 8.757 3.865 -7.404
58 HA LYS 8 HA LYS 8 10.073 4.719 -9.863
59 HB2 LYS 8 2HB LYS 8 7.277 4.033 -9.083
60 HB3 LYS 8 3HB LYS 8 7.515 5.123 -10.443
61 HG2 LYS 8 2HG LYS 8 9.134 2.662 -10.472
62 HG3 LYS 8 3HG LYS 8 7.392 2.451 -10.668
63 HD2 LYS 8 2HD LYS 8 7.918 4.563 -12.331
64 HD3 LYS 8 3HD LYS 8 9.371 3.576 -12.505
65 HE2 LYS 8 2HE LYS 8 8.055 1.658 -13.117
66 HE3 LYS 8 3HE LYS 8 6.558 2.526 -12.779
67 HZ1 LYS 8 1HZ LYS 8 6.887 2.541 -15.111
68 HZ2 LYS 8 2HZ LYS 8 8.490 3.058 -14.964
69 HZ3 LYS 8 3HZ LYS 8 7.224 4.107 -14.568
70 H CYS 9 H CYS 9 7.716 6.033 -7.535
71 HA CYS 9 HA CYS 9 8.541 8.735 -8.368
72 HB2 CYS 9 2HB CYS 9 5.919 7.563 -7.645
73 HB3 CYS 9 3HB CYS 9 6.234 9.182 -7.030
74 HG CYS 9 HG CYS 9 6.479 10.404 -9.447
75 HA PRO 10 HA PRO 10 10.111 8.153 -4.053
76 HB2 PRO 10 2HB PRO 10 12.477 9.405 -4.505
77 HB3 PRO 10 3HB PRO 10 12.222 7.686 -4.830
78 HG2 PRO 10 2HG PRO 10 12.176 10.000 -6.729
79 HG3 PRO 10 3HG PRO 10 12.910 8.398 -6.934
80 HD2 PRO 10 2HD PRO 10 10.523 9.057 -8.029
81 HD3 PRO 10 3HD PRO 10 10.903 7.410 -7.487
82 H LEU 11 H LEU 11 10.693 11.023 -6.097
83 HA LEU 11 HA LEU 11 10.710 12.892 -4.008
84 HB2 LEU 11 2HB LEU 11 10.761 14.524 -5.634
85 HB3 LEU 11 3HB LEU 11 11.418 13.125 -6.481
86 HG LEU 11 HG LEU 11 8.847 12.871 -7.176
87 HD11 LEU 11 1HD1 LEU 11 9.044 15.815 -7.379
88 HD12 LEU 11 2HD1 LEU 11 8.604 15.148 -5.807
89 HD13 LEU 11 3HD1 LEU 11 7.626 14.777 -7.227
90 HD21 LEU 11 1HD2 LEU 11 11.012 14.544 -8.420
91 HD22 LEU 11 2HD2 LEU 11 9.473 14.238 -9.227
92 HD23 LEU 11 3HD2 LEU 11 10.536 12.892 -8.813
93 H PHE 12 H PHE 12 8.133 11.173 -5.439
94 HA PHE 12 HA PHE 12 6.175 13.010 -4.227
95 HB2 PHE 12 2HB PHE 12 6.260 11.770 -6.810
96 HB3 PHE 12 3HB PHE 12 4.855 11.174 -5.934
97 HD1 PHE 12 HD1 PHE 12 3.191 12.231 -7.249
98 HD2 PHE 12 HD2 PHE 12 6.315 14.525 -5.491
99 HE1 PHE 12 HE1 PHE 12 1.975 14.299 -7.795
100 HE2 PHE 12 HE2 PHE 12 5.104 16.597 -6.033
101 HZ PHE 12 HZ PHE 12 2.930 16.486 -7.185
102 H GLY 13 H GLY 13 7.780 10.301 -3.528
103 HA2 GLY 13 2HA GLY 13 5.898 8.356 -2.870
104 HA3 GLY 13 3HA GLY 13 7.434 8.583 -2.047
105 H LYS 14 H LYS 14 4.045 9.533 -2.097
106 HA LYS 14 HA LYS 14 3.687 11.264 -0.112
107 HB2 LYS 14 2HB LYS 14 2.186 8.908 -1.003
108 HB3 LYS 14 3HB LYS 14 1.829 9.387 0.651
109 HG2 LYS 14 2HG LYS 14 1.752 11.781 -0.651
110 HG3 LYS 14 3HG LYS 14 1.125 10.674 -1.875
111 HD2 LYS 14 2HD LYS 14 0.109 10.788 0.961
112 HD3 LYS 14 3HD LYS 14 -0.614 11.683 -0.378
113 HE2 LYS 14 2HE LYS 14 -0.204 8.719 -0.547
114 HE3 LYS 14 3HE LYS 14 -1.610 9.391 0.278
115 HZ1 LYS 14 1HZ LYS 14 -1.752 8.811 -2.221
116 HZ2 LYS 14 2HZ LYS 14 -0.952 10.284 -2.448
117 HZ3 LYS 14 3HZ LYS 14 -2.452 10.248 -1.667
118 H ASN 15 H ASN 15 4.474 7.848 0.418
119 HA ASN 15 HA ASN 15 4.276 7.495 3.067
120 HB2 ASN 15 2HB ASN 15 5.795 6.316 1.023
121 HB3 ASN 15 3HB ASN 15 6.943 6.674 2.309
122 HD21 ASN 15 1HD2 ASN 15 3.613 5.467 2.039
123 HD22 ASN 15 2HD2 ASN 15 3.825 4.148 3.134
124 H LYS 16 H LYS 16 6.932 9.259 1.504
125 HA LYS 16 HA LYS 16 7.658 10.347 4.144
126 HB2 LYS 16 2HB LYS 16 9.410 8.982 2.988
127 HB3 LYS 16 3HB LYS 16 9.413 10.168 1.690
128 HG2 LYS 16 2HG LYS 16 10.504 11.734 2.931
129 HG3 LYS 16 3HG LYS 16 9.844 11.144 4.458
130 HD2 LYS 16 2HD LYS 16 11.606 9.257 3.050
131 HD3 LYS 16 3HD LYS 16 12.393 10.730 3.621
132 HE2 LYS 16 2HE LYS 16 12.362 10.004 5.723
133 HE3 LYS 16 3HE LYS 16 10.632 9.678 5.639
134 HZ1 LYS 16 1HZ LYS 16 11.961 7.692 6.142
135 HZ2 LYS 16 2HZ LYS 16 12.744 7.841 4.650
136 HZ3 LYS 16 3HZ LYS 16 11.083 7.527 4.705
137 H SER 17 H SER 17 7.446 11.166 0.690
138 HA SER 17 HA SER 17 7.926 13.877 0.822
139 HB2 SER 17 2HB SER 17 5.786 12.736 -0.967
140 HB3 SER 17 3HB SER 17 6.901 14.061 -1.298
141 HG SER 17 HG SER 17 8.496 12.653 -1.675
142 H ARG 18 H ARG 18 4.964 12.122 1.547
143 HA ARG 18 HA ARG 18 3.809 14.634 2.566
144 HB2 ARG 18 2HB ARG 18 2.789 13.028 0.518
145 HB3 ARG 18 3HB ARG 18 1.816 12.630 1.928
146 HG2 ARG 18 2HG ARG 18 1.396 15.066 2.240
147 HG3 ARG 18 3HG ARG 18 2.224 15.348 0.707
148 HD2 ARG 18 2HD ARG 18 0.558 14.317 -0.530
149 HD3 ARG 18 3HD ARG 18 -0.034 13.396 0.852
150 HE ARG 18 HE ARG 18 -0.815 16.045 0.075
151 HH11 ARG 18 1HH1 ARG 18 -0.536 13.821 2.738
152 HH12 ARG 18 2HH1 ARG 18 -1.763 14.596 3.684
153 HH21 ARG 18 1HH2 ARG 18 -2.434 17.074 1.310
154 HH22 ARG 18 2HH2 ARG 18 -2.843 16.445 2.870
Start of MODEL 2
1 H1 VAL 1 H VAL 1 1.807 0.001 0.856
2 HA VAL 1 HA VAL 1 2.555 -0.973 -1.348
3 HB VAL 1 HB VAL 1 1.809 0.479 -3.309
4 HG11 VAL 1 1HG1 VAL 1 -0.629 -0.895 -2.471
5 HG12 VAL 1 2HG1 VAL 1 0.418 -1.187 -3.860
6 HG13 VAL 1 3HG1 VAL 1 0.832 -1.864 -2.285
7 HG21 VAL 1 1HG2 VAL 1 0.652 2.023 -1.410
8 HG22 VAL 1 2HG2 VAL 1 0.166 2.007 -3.105
9 HG23 VAL 1 3HG2 VAL 1 -0.723 1.045 -1.924
10 H ALA 2 H ALA 2 4.393 -0.156 -0.192
11 HA ALA 2 HA ALA 2 5.159 2.568 -1.023
12 HB1 ALA 2 1HB ALA 2 4.923 1.611 1.572
13 HB2 ALA 2 2HB ALA 2 6.657 1.586 1.249
14 HB3 ALA 2 3HB ALA 2 5.746 3.084 1.060
15 H ARG 3 H ARG 3 6.221 -0.748 -0.483
16 HA ARG 3 HA ARG 3 8.911 -0.546 -1.062
17 HB2 ARG 3 2HB ARG 3 7.055 -2.782 -1.897
18 HB3 ARG 3 3HB ARG 3 8.804 -2.891 -1.754
19 HG2 ARG 3 2HG ARG 3 8.742 -3.100 0.484
20 HG3 ARG 3 3HG ARG 3 7.390 -1.979 0.659
21 HD2 ARG 3 2HD ARG 3 5.821 -3.669 0.017
22 HD3 ARG 3 3HD ARG 3 7.120 -4.779 -0.419
23 HE ARG 3 HE ARG 3 7.228 -3.965 2.323
24 HH11 ARG 3 1HH1 ARG 3 5.740 -6.173 0.081
25 HH12 ARG 3 2HH1 ARG 3 5.394 -7.369 1.286
26 HH21 ARG 3 1HH2 ARG 3 6.779 -5.532 3.919
27 HH22 ARG 3 2HH2 ARG 3 5.985 -7.003 3.469
28 H GLY 4 H GLY 4 6.176 -0.377 -3.219
29 HA2 GLY 4 2HA GLY 4 8.041 -0.159 -5.502
30 HA3 GLY 4 3HA GLY 4 6.392 -0.750 -5.638
31 H TRP 5 H TRP 5 6.607 1.823 -3.478
32 HA TRP 5 HA TRP 5 5.775 3.715 -5.579
33 HB2 TRP 5 2HB TRP 5 4.140 2.794 -3.647
34 HB3 TRP 5 3HB TRP 5 4.850 4.164 -2.797
35 HD1 TRP 5 HD1 TRP 5 2.564 3.325 -5.742
36 HE1 TRP 5 HE1 TRP 5 1.339 5.468 -6.472
37 HE3 TRP 5 HE3 TRP 5 5.057 6.714 -2.838
38 HZ2 TRP 5 HZ2 TRP 5 1.419 8.229 -5.893
39 HZ3 TRP 5 HZ3 TRP 5 4.422 9.087 -2.986
40 HH2 TRP 5 HH2 TRP 5 2.641 9.827 -4.483
41 H GLY 6 H GLY 6 8.035 3.034 -3.180
42 HA2 GLY 6 2HA GLY 6 8.680 5.850 -2.694
43 HA3 GLY 6 3HA GLY 6 9.367 4.471 -1.848
44 H ARG 7 H ARG 7 9.354 3.730 -5.066
45 HA ARG 7 HA ARG 7 12.083 4.783 -5.431
46 HB2 ARG 7 2HB ARG 7 10.931 2.074 -5.994
47 HB3 ARG 7 3HB ARG 7 12.282 2.665 -6.952
48 HG2 ARG 7 2HG ARG 7 12.838 3.083 -4.181
49 HG3 ARG 7 3HG ARG 7 12.353 1.406 -4.443
50 HD2 ARG 7 2HD ARG 7 14.370 2.745 -6.214
51 HD3 ARG 7 3HD ARG 7 14.842 2.013 -4.681
52 HE ARG 7 HE ARG 7 13.461 0.037 -5.902
53 HH11 ARG 7 1HH1 ARG 7 16.104 2.072 -6.901
54 HH12 ARG 7 2HH1 ARG 7 16.792 0.883 -7.956
55 HH21 ARG 7 1HH2 ARG 7 14.358 -1.537 -7.288
56 HH22 ARG 7 2HH2 ARG 7 15.798 -1.169 -8.176
57 H LYS 8 H LYS 8 9.147 3.693 -7.101
58 HA LYS 8 HA LYS 8 9.751 4.383 -9.693
59 HB2 LYS 8 2HB LYS 8 7.298 4.044 -8.124
60 HB3 LYS 8 3HB LYS 8 7.111 5.129 -9.496
61 HG2 LYS 8 2HG LYS 8 8.552 2.830 -10.352
62 HG3 LYS 8 3HG LYS 8 7.113 2.306 -9.475
63 HD2 LYS 8 2HD LYS 8 6.894 4.473 -11.523
64 HD3 LYS 8 3HD LYS 8 6.986 2.788 -12.040
65 HE2 LYS 8 2HE LYS 8 4.806 2.605 -11.657
66 HE3 LYS 8 3HE LYS 8 5.125 2.856 -9.942
67 HZ1 LYS 8 1HZ LYS 8 3.925 4.697 -10.128
68 HZ2 LYS 8 2HZ LYS 8 3.878 4.600 -11.816
69 HZ3 LYS 8 3HZ LYS 8 5.178 5.364 -11.048
70 H CYS 9 H CYS 9 7.603 6.477 -7.793
71 HA CYS 9 HA CYS 9 8.017 8.762 -9.320
72 HB2 CYS 9 2HB CYS 9 7.061 8.326 -6.506
73 HB3 CYS 9 3HB CYS 9 7.258 9.956 -7.137
74 HG CYS 9 HG CYS 9 5.441 9.589 -9.243
75 HA PRO 10 HA PRO 10 12.178 9.792 -8.123
76 HB2 PRO 10 2HB PRO 10 12.325 12.087 -9.566
77 HB3 PRO 10 3HB PRO 10 12.464 10.483 -10.296
78 HG2 PRO 10 2HG PRO 10 10.093 12.307 -10.166
79 HG3 PRO 10 3HG PRO 10 10.685 11.337 -11.527
80 HD2 PRO 10 2HD PRO 10 8.605 10.558 -9.979
81 HD3 PRO 10 3HD PRO 10 9.722 9.401 -10.729
82 H LEU 11 H LEU 11 9.764 12.419 -8.294
83 HA LEU 11 HA LEU 11 10.963 13.585 -5.877
84 HB2 LEU 11 2HB LEU 11 10.271 15.664 -6.568
85 HB3 LEU 11 3HB LEU 11 10.646 14.879 -8.101
86 HG LEU 11 HG LEU 11 7.986 14.329 -7.830
87 HD11 LEU 11 1HD1 LEU 11 6.808 16.132 -6.973
88 HD12 LEU 11 2HD1 LEU 11 8.211 17.198 -7.012
89 HD13 LEU 11 3HD1 LEU 11 8.109 15.919 -5.802
90 HD21 LEU 11 1HD2 LEU 11 9.018 15.085 -9.861
91 HD22 LEU 11 2HD2 LEU 11 9.335 16.673 -9.162
92 HD23 LEU 11 3HD2 LEU 11 7.676 16.163 -9.478
93 H PHE 12 H PHE 12 8.252 11.891 -7.015
94 HA PHE 12 HA PHE 12 6.584 12.779 -4.771
95 HB2 PHE 12 2HB PHE 12 6.031 11.921 -7.471
96 HB3 PHE 12 3HB PHE 12 5.154 10.918 -6.320
97 HD1 PHE 12 HD1 PHE 12 6.042 14.517 -6.085
98 HD2 PHE 12 HD2 PHE 12 2.951 11.622 -6.508
99 HE1 PHE 12 HE1 PHE 12 4.354 16.289 -5.835
100 HE2 PHE 12 HE2 PHE 12 1.257 13.390 -6.260
101 HZ PHE 12 HZ PHE 12 1.958 15.727 -5.924
102 H GLY 13 H GLY 13 8.828 10.464 -5.431
103 HA2 GLY 13 2HA GLY 13 7.531 8.188 -4.232
104 HA3 GLY 13 3HA GLY 13 9.227 8.312 -4.673
105 H LYS 14 H LYS 14 7.069 10.000 -2.388
106 HA LYS 14 HA LYS 14 9.195 10.054 -0.414
107 HB2 LYS 14 2HB LYS 14 6.501 11.311 -0.685
108 HB3 LYS 14 3HB LYS 14 7.190 11.153 0.925
109 HG2 LYS 14 2HG LYS 14 9.207 12.195 -0.760
110 HG3 LYS 14 3HG LYS 14 7.728 13.110 -1.062
111 HD2 LYS 14 2HD LYS 14 7.588 13.129 1.562
112 HD3 LYS 14 3HD LYS 14 9.326 12.844 1.443
113 HE2 LYS 14 2HE LYS 14 8.064 15.027 -0.159
114 HE3 LYS 14 3HE LYS 14 8.397 15.281 1.553
115 HZ1 LYS 14 1HZ LYS 14 10.687 14.172 0.482
116 HZ2 LYS 14 2HZ LYS 14 10.463 15.774 0.974
117 HZ3 LYS 14 3HZ LYS 14 10.190 15.339 -0.638
118 H ASN 15 H ASN 15 5.746 9.318 0.034
119 HA ASN 15 HA ASN 15 6.544 6.928 1.562
120 HB2 ASN 15 2HB ASN 15 4.609 9.107 2.239
121 HB3 ASN 15 3HB ASN 15 4.286 7.473 2.814
122 HD21 ASN 15 1HD2 ASN 15 4.547 8.144 4.953
123 HD22 ASN 15 2HD2 ASN 15 6.109 8.453 5.624
124 H LYS 16 H LYS 16 3.284 8.061 0.901
125 HA LYS 16 HA LYS 16 2.891 5.739 -0.872
126 HB2 LYS 16 2HB LYS 16 0.948 6.897 1.136
127 HB3 LYS 16 3HB LYS 16 0.580 5.599 0.007
128 HG2 LYS 16 2HG LYS 16 2.663 4.466 1.147
129 HG3 LYS 16 3HG LYS 16 2.249 5.564 2.466
130 HD2 LYS 16 2HD LYS 16 1.110 3.520 2.884
131 HD3 LYS 16 3HD LYS 16 -0.102 4.675 2.324
132 HE2 LYS 16 2HE LYS 16 0.957 3.373 0.044
133 HE3 LYS 16 3HE LYS 16 0.588 2.129 1.238
134 HZ1 LYS 16 1HZ LYS 16 -1.604 2.474 1.040
135 HZ2 LYS 16 2HZ LYS 16 -1.206 3.176 -0.446
136 HZ3 LYS 16 3HZ LYS 16 -1.453 4.155 0.911
137 H SER 17 H SER 17 1.875 9.029 -0.074
138 HA SER 17 HA SER 17 0.876 9.303 -2.834
139 HB2 SER 17 2HB SER 17 -0.573 11.176 -1.810
140 HB3 SER 17 3HB SER 17 -1.052 9.508 -1.499
141 HG SER 17 HG SER 17 0.005 9.674 0.528
142 H ARG 18 H ARG 18 2.664 10.744 -0.190
143 HA ARG 18 HA ARG 18 3.132 13.281 -1.254
144 HB2 ARG 18 2HB ARG 18 4.785 11.544 0.576
145 HB3 ARG 18 3HB ARG 18 5.250 13.187 0.155
146 HG2 ARG 18 2HG ARG 18 3.941 13.987 1.745
147 HG3 ARG 18 3HG ARG 18 2.538 13.209 1.010
148 HD2 ARG 18 2HD ARG 18 2.609 12.331 3.173
149 HD3 ARG 18 3HD ARG 18 3.345 11.078 2.175
150 HE ARG 18 HE ARG 18 5.285 11.371 3.337
151 HH11 ARG 18 1HH1 ARG 18 3.301 14.202 3.751
152 HH12 ARG 18 2HH1 ARG 18 4.364 14.939 4.903
153 HH21 ARG 18 1HH2 ARG 18 6.693 12.330 4.854
154 HH22 ARG 18 2HH2 ARG 18 6.294 13.874 5.529
Start of MODEL 3
1 H1 VAL 1 H VAL 1 1.499 -0.110 1.582
2 HA VAL 1 HA VAL 1 2.278 -1.021 -0.546
3 HB VAL 1 HB VAL 1 0.595 1.209 -1.699
4 HG11 VAL 1 1HG1 VAL 1 2.431 1.038 -3.127
5 HG12 VAL 1 2HG1 VAL 1 2.542 -0.712 -2.928
6 HG13 VAL 1 3HG1 VAL 1 1.225 -0.012 -3.870
7 HG21 VAL 1 1HG2 VAL 1 -0.959 -0.413 -1.214
8 HG22 VAL 1 2HG2 VAL 1 -0.455 -0.911 -2.829
9 HG23 VAL 1 3HG2 VAL 1 0.195 -1.732 -1.411
10 H ALA 2 H ALA 2 4.188 -0.323 0.485
11 HA ALA 2 HA ALA 2 5.093 2.360 -0.339
12 HB1 ALA 2 1HB ALA 2 4.874 1.379 2.252
13 HB2 ALA 2 2HB ALA 2 6.595 1.275 1.878
14 HB3 ALA 2 3HB ALA 2 5.753 2.818 1.734
15 H ARG 3 H ARG 3 5.967 -1.019 0.137
16 HA ARG 3 HA ARG 3 8.649 -0.974 -0.509
17 HB2 ARG 3 2HB ARG 3 8.320 -3.303 -1.327
18 HB3 ARG 3 3HB ARG 3 7.599 -3.003 0.248
19 HG2 ARG 3 2HG ARG 3 5.629 -3.679 -0.492
20 HG3 ARG 3 3HG ARG 3 5.661 -2.464 -1.772
21 HD2 ARG 3 2HD ARG 3 6.564 -3.929 -3.317
22 HD3 ARG 3 3HD ARG 3 7.234 -4.985 -2.075
23 HE ARG 3 HE ARG 3 4.449 -5.049 -1.865
24 HH11 ARG 3 1HH1 ARG 3 6.956 -6.008 -4.082
25 HH12 ARG 3 2HH1 ARG 3 6.052 -7.334 -4.735
26 HH21 ARG 3 1HH2 ARG 3 3.249 -6.792 -2.716
27 HH22 ARG 3 2HH2 ARG 3 3.943 -7.778 -3.958
28 H GLY 4 H GLY 4 5.876 -0.609 -2.595
29 HA2 GLY 4 2HA GLY 4 7.694 -0.472 -4.921
30 HA3 GLY 4 3HA GLY 4 6.008 -0.959 -5.022
31 H TRP 5 H TRP 5 6.449 1.568 -2.838
32 HA TRP 5 HA TRP 5 5.688 3.539 -4.893
33 HB2 TRP 5 2HB TRP 5 4.041 2.685 -2.929
34 HB3 TRP 5 3HB TRP 5 4.838 4.017 -2.095
35 HD1 TRP 5 HD1 TRP 5 2.491 3.302 -5.035
36 HE1 TRP 5 HE1 TRP 5 1.348 5.502 -5.727
37 HE3 TRP 5 HE3 TRP 5 5.122 6.545 -2.086
38 HZ2 TRP 5 HZ2 TRP 5 1.538 8.249 -5.105
39 HZ3 TRP 5 HZ3 TRP 5 4.580 8.942 -2.195
40 HH2 TRP 5 HH2 TRP 5 2.825 9.775 -3.674
41 H GLY 6 H GLY 6 7.973 2.672 -2.602
42 HA2 GLY 6 2HA GLY 6 8.764 5.413 -1.970
43 HA3 GLY 6 3HA GLY 6 9.468 3.948 -1.302
44 H ARG 7 H ARG 7 9.279 3.329 -4.485
45 HA ARG 7 HA ARG 7 11.934 4.489 -5.029
46 HB2 ARG 7 2HB ARG 7 12.279 2.161 -4.741
47 HB3 ARG 7 3HB ARG 7 10.841 1.757 -5.670
48 HG2 ARG 7 2HG ARG 7 11.917 1.881 -7.633
49 HG3 ARG 7 3HG ARG 7 12.868 3.283 -7.141
50 HD2 ARG 7 2HD ARG 7 13.402 0.534 -6.056
51 HD3 ARG 7 3HD ARG 7 14.118 1.095 -7.566
52 HE ARG 7 HE ARG 7 14.860 1.871 -4.904
53 HH11 ARG 7 1HH1 ARG 7 14.826 2.830 -8.250
54 HH12 ARG 7 2HH1 ARG 7 16.161 3.922 -8.086
55 HH21 ARG 7 1HH2 ARG 7 16.618 3.305 -4.675
56 HH22 ARG 7 2HH2 ARG 7 17.180 4.191 -6.052
57 H LYS 8 H LYS 8 8.845 3.464 -6.387
58 HA LYS 8 HA LYS 8 9.200 4.054 -9.052
59 HB2 LYS 8 2HB LYS 8 6.903 3.932 -7.214
60 HB3 LYS 8 3HB LYS 8 6.642 4.919 -8.646
61 HG2 LYS 8 2HG LYS 8 7.682 2.106 -8.793
62 HG3 LYS 8 3HG LYS 8 5.960 2.492 -8.801
63 HD2 LYS 8 2HD LYS 8 7.234 4.182 -10.689
64 HD3 LYS 8 3HD LYS 8 7.808 2.536 -10.968
65 HE2 LYS 8 2HE LYS 8 5.861 2.827 -12.296
66 HE3 LYS 8 3HE LYS 8 5.406 1.803 -10.936
67 HZ1 LYS 8 1HZ LYS 8 3.796 3.604 -11.474
68 HZ2 LYS 8 2HZ LYS 8 4.959 4.734 -10.997
69 HZ3 LYS 8 3HZ LYS 8 4.348 3.625 -9.875
70 H CYS 9 H CYS 9 7.356 6.300 -7.014
71 HA CYS 9 HA CYS 9 7.757 8.523 -8.646
72 HB2 CYS 9 2HB CYS 9 6.941 8.171 -5.783
73 HB3 CYS 9 3HB CYS 9 7.240 9.788 -6.408
74 HG CYS 9 HG CYS 9 4.926 7.587 -7.640
75 HA PRO 10 HA PRO 10 12.026 9.407 -7.778
76 HB2 PRO 10 2HB PRO 10 12.149 11.699 -9.228
77 HB3 PRO 10 3HB PRO 10 12.163 10.093 -9.966
78 HG2 PRO 10 2HG PRO 10 9.886 12.010 -9.645
79 HG3 PRO 10 3HG PRO 10 10.326 11.021 -11.050
80 HD2 PRO 10 2HD PRO 10 8.348 10.322 -9.338
81 HD3 PRO 10 3HD PRO 10 9.354 9.123 -10.176
82 H LEU 11 H LEU 11 9.712 12.128 -7.751
83 HA LEU 11 HA LEU 11 11.144 13.228 -5.431
84 HB2 LEU 11 2HB LEU 11 10.720 15.299 -6.187
85 HB3 LEU 11 3HB LEU 11 10.523 14.473 -7.731
86 HG LEU 11 HG LEU 11 8.252 15.181 -5.876
87 HD11 LEU 11 1HD1 LEU 11 7.798 17.055 -7.221
88 HD12 LEU 11 2HD1 LEU 11 8.958 16.557 -8.452
89 HD13 LEU 11 3HD1 LEU 11 9.528 17.130 -6.885
90 HD21 LEU 11 1HD2 LEU 11 8.132 13.237 -7.608
91 HD22 LEU 11 2HD2 LEU 11 8.012 14.545 -8.785
92 HD23 LEU 11 3HD2 LEU 11 6.812 14.402 -7.499
93 H PHE 12 H PHE 12 8.367 11.554 -6.289
94 HA PHE 12 HA PHE 12 6.894 12.536 -3.939
95 HB2 PHE 12 2HB PHE 12 6.075 11.697 -6.604
96 HB3 PHE 12 3HB PHE 12 5.188 10.846 -5.343
97 HD1 PHE 12 HD1 PHE 12 3.065 11.792 -5.457
98 HD2 PHE 12 HD2 PHE 12 6.485 14.321 -5.291
99 HE1 PHE 12 HE1 PHE 12 1.601 13.748 -5.167
100 HE2 PHE 12 HE2 PHE 12 5.026 16.281 -5.000
101 HZ PHE 12 HZ PHE 12 2.580 15.996 -4.937
102 H GLY 13 H GLY 13 8.954 10.136 -4.812
103 HA2 GLY 13 2HA GLY 13 7.639 7.875 -3.622
104 HA3 GLY 13 3HA GLY 13 9.322 7.961 -4.120
105 H LYS 14 H LYS 14 7.292 9.614 -1.696
106 HA LYS 14 HA LYS 14 9.491 9.511 0.202
107 HB2 LYS 14 2HB LYS 14 7.079 11.105 -0.151
108 HB3 LYS 14 3HB LYS 14 7.288 10.580 1.515
109 HG2 LYS 14 2HG LYS 14 8.400 12.594 1.493
110 HG3 LYS 14 3HG LYS 14 9.713 11.447 1.220
111 HD2 LYS 14 2HD LYS 14 9.929 12.022 -1.008
112 HD3 LYS 14 3HD LYS 14 8.275 12.630 -1.117
113 HE2 LYS 14 2HE LYS 14 9.531 14.229 0.800
114 HE3 LYS 14 3HE LYS 14 10.714 14.036 -0.493
115 HZ1 LYS 14 1HZ LYS 14 7.922 14.753 -1.113
116 HZ2 LYS 14 2HZ LYS 14 9.318 15.024 -2.029
117 HZ3 LYS 14 3HZ LYS 14 9.027 15.944 -0.640
118 H ASN 15 H ASN 15 6.019 8.952 0.727
119 HA ASN 15 HA ASN 15 6.723 6.474 2.158
120 HB2 ASN 15 2HB ASN 15 6.133 8.086 3.829
121 HB3 ASN 15 3HB ASN 15 4.713 8.596 2.920
122 HD21 ASN 15 1HD2 ASN 15 2.976 8.006 3.992
123 HD22 ASN 15 2HD2 ASN 15 2.706 6.465 4.724
124 H LYS 16 H LYS 16 3.519 7.822 1.631
125 HA LYS 16 HA LYS 16 2.934 5.582 -0.192
126 HB2 LYS 16 2HB LYS 16 1.121 6.796 1.902
127 HB3 LYS 16 3HB LYS 16 0.646 5.553 0.752
128 HG2 LYS 16 2HG LYS 16 2.964 5.084 2.572
129 HG3 LYS 16 3HG LYS 16 1.314 4.897 3.171
130 HD2 LYS 16 2HD LYS 16 0.847 3.275 1.412
131 HD3 LYS 16 3HD LYS 16 2.477 3.486 0.768
132 HE2 LYS 16 2HE LYS 16 2.564 1.520 2.058
133 HE3 LYS 16 3HE LYS 16 3.311 2.767 3.056
134 HZ1 LYS 16 1HZ LYS 16 1.605 1.206 4.122
135 HZ2 LYS 16 2HZ LYS 16 0.441 2.141 3.326
136 HZ3 LYS 16 3HZ LYS 16 1.481 2.862 4.449
137 H SER 17 H SER 17 2.157 8.904 0.722
138 HA SER 17 HA SER 17 1.093 9.318 -1.996
139 HB2 SER 17 2HB SER 17 -0.189 11.262 -0.856
140 HB3 SER 17 3HB SER 17 -0.784 9.619 -0.623
141 HG SER 17 HG SER 17 1.005 10.852 1.188
142 H ARG 18 H ARG 18 3.041 10.572 0.631
143 HA ARG 18 HA ARG 18 4.749 12.001 -1.108
144 HB2 ARG 18 2HB ARG 18 2.422 13.426 -0.135
145 HB3 ARG 18 3HB ARG 18 3.906 14.182 0.428
146 HG2 ARG 18 2HG ARG 18 4.681 14.098 -1.992
147 HG3 ARG 18 3HG ARG 18 3.005 13.718 -2.394
148 HD2 ARG 18 2HD ARG 18 3.022 16.011 -2.608
149 HD3 ARG 18 3HD ARG 18 2.476 15.817 -0.944
150 HE ARG 18 HE ARG 18 5.305 16.053 -1.086
151 HH11 ARG 18 1HH1 ARG 18 2.352 17.891 -1.228
152 HH12 ARG 18 2HH1 ARG 18 3.086 19.359 -0.671
153 HH21 ARG 18 1HH2 ARG 18 6.283 17.979 -0.352
154 HH22 ARG 18 2HH2 ARG 18 5.322 19.408 -0.174
Start of MODEL 4
1 H1 VAL 1 H VAL 1 1.871 -2.323 -0.098
2 HA VAL 1 HA VAL 1 3.080 -2.843 -2.199
3 HB VAL 1 HB VAL 1 1.145 -0.840 -3.368
4 HG11 VAL 1 1HG1 VAL 1 3.554 -2.259 -4.394
5 HG12 VAL 1 2HG1 VAL 1 2.222 -1.934 -5.504
6 HG13 VAL 1 3HG1 VAL 1 3.018 -0.602 -4.667
7 HG21 VAL 1 1HG2 VAL 1 -0.136 -2.774 -3.057
8 HG22 VAL 1 2HG2 VAL 1 0.430 -2.893 -4.723
9 HG23 VAL 1 3HG2 VAL 1 1.211 -3.840 -3.458
10 H ALA 2 H ALA 2 4.593 -1.876 -0.755
11 HA ALA 2 HA ALA 2 4.973 1.013 -1.209
12 HB1 ALA 2 1HB ALA 2 6.316 -0.044 1.146
13 HB2 ALA 2 2HB ALA 2 5.279 1.372 0.971
14 HB3 ALA 2 3HB ALA 2 4.562 -0.220 1.216
15 H ARG 3 H ARG 3 6.504 -2.139 -0.903
16 HA ARG 3 HA ARG 3 9.178 -1.384 -1.118
17 HB2 ARG 3 2HB ARG 3 9.630 -3.646 -1.777
18 HB3 ARG 3 3HB ARG 3 8.337 -3.677 -0.586
19 HG2 ARG 3 2HG ARG 3 6.785 -3.676 -2.677
20 HG3 ARG 3 3HG ARG 3 8.233 -4.246 -3.510
21 HD2 ARG 3 2HD ARG 3 7.470 -6.272 -2.877
22 HD3 ARG 3 3HD ARG 3 8.262 -5.860 -1.357
23 HE ARG 3 HE ARG 3 5.593 -4.915 -1.380
24 HH11 ARG 3 1HH1 ARG 3 7.474 -7.828 -1.072
25 HH12 ARG 3 2HH1 ARG 3 6.287 -8.649 -0.114
26 HH21 ARG 3 1HH2 ARG 3 4.022 -5.984 -0.119
27 HH22 ARG 3 2HH2 ARG 3 4.323 -7.600 0.427
28 H GLY 4 H GLY 4 6.681 -1.640 -3.548
29 HA2 GLY 4 2HA GLY 4 8.672 -0.956 -5.620
30 HA3 GLY 4 3HA GLY 4 7.161 -1.794 -5.938
31 H TRP 5 H TRP 5 6.974 0.757 -3.673
32 HA TRP 5 HA TRP 5 5.800 2.498 -5.742
33 HB2 TRP 5 2HB TRP 5 4.314 1.444 -3.877
34 HB3 TRP 5 3HB TRP 5 5.046 2.666 -2.841
35 HD1 TRP 5 HD1 TRP 5 2.482 2.230 -5.592
36 HE1 TRP 5 HE1 TRP 5 1.248 4.459 -5.959
37 HE3 TRP 5 HE3 TRP 5 5.416 5.268 -2.711
38 HZ2 TRP 5 HZ2 TRP 5 1.487 7.149 -5.137
39 HZ3 TRP 5 HZ3 TRP 5 4.845 7.656 -2.555
40 HH2 TRP 5 HH2 TRP 5 2.921 8.575 -3.744
41 H GLY 6 H GLY 6 8.092 2.223 -3.186
42 HA2 GLY 6 2HA GLY 6 8.463 5.109 -2.971
43 HA3 GLY 6 3HA GLY 6 9.294 3.879 -2.030
44 H ARG 7 H ARG 7 9.153 3.386 -5.425
45 HA ARG 7 HA ARG 7 11.939 4.317 -5.673
46 HB2 ARG 7 2HB ARG 7 12.034 1.951 -5.717
47 HB3 ARG 7 3HB ARG 7 10.618 1.836 -6.753
48 HG2 ARG 7 2HG ARG 7 11.816 2.082 -8.625
49 HG3 ARG 7 3HG ARG 7 12.836 3.340 -7.924
50 HD2 ARG 7 2HD ARG 7 13.108 0.417 -7.254
51 HD3 ARG 7 3HD ARG 7 14.013 1.203 -8.547
52 HE ARG 7 HE ARG 7 14.456 2.720 -6.293
53 HH11 ARG 7 1HH1 ARG 7 14.978 -0.583 -7.263
54 HH12 ARG 7 2HH1 ARG 7 16.372 -0.795 -6.255
55 HH21 ARG 7 1HH2 ARG 7 16.289 2.452 -4.962
56 HH22 ARG 7 2HH2 ARG 7 17.116 0.932 -4.946
57 H LYS 8 H LYS 8 8.946 3.639 -7.461
58 HA LYS 8 HA LYS 8 9.593 4.729 -9.910
59 HB2 LYS 8 2HB LYS 8 7.089 4.274 -8.408
60 HB3 LYS 8 3HB LYS 8 6.989 5.459 -9.704
61 HG2 LYS 8 2HG LYS 8 8.296 3.447 -10.957
62 HG3 LYS 8 3HG LYS 8 7.285 2.543 -9.826
63 HD2 LYS 8 2HD LYS 8 5.342 3.936 -10.655
64 HD3 LYS 8 3HD LYS 8 6.412 4.504 -11.938
65 HE2 LYS 8 2HE LYS 8 6.487 2.452 -12.968
66 HE3 LYS 8 3HE LYS 8 6.146 1.572 -11.479
67 HZ1 LYS 8 1HZ LYS 8 3.888 2.980 -11.821
68 HZ2 LYS 8 2HZ LYS 8 4.108 1.388 -12.349
69 HZ3 LYS 8 3HZ LYS 8 4.321 2.674 -13.428
70 H CYS 9 H CYS 9 7.458 6.514 -7.705
71 HA CYS 9 HA CYS 9 8.052 9.020 -8.831
72 HB2 CYS 9 2HB CYS 9 6.717 8.138 -6.292
73 HB3 CYS 9 3HB CYS 9 7.043 9.845 -6.570
74 HG CYS 9 HG CYS 9 5.388 8.101 -8.966
75 HA PRO 10 HA PRO 10 12.038 9.668 -6.961
76 HB2 PRO 10 2HB PRO 10 12.412 12.166 -7.956
77 HB3 PRO 10 3HB PRO 10 12.617 10.704 -8.928
78 HG2 PRO 10 2HG PRO 10 10.281 12.571 -8.785
79 HG3 PRO 10 3HG PRO 10 11.030 11.823 -10.208
80 HD2 PRO 10 2HD PRO 10 8.751 10.876 -9.091
81 HD3 PRO 10 3HD PRO 10 9.938 9.819 -9.883
82 H LEU 11 H LEU 11 9.721 12.387 -6.982
83 HA LEU 11 HA LEU 11 10.642 13.122 -4.295
84 HB2 LEU 11 2HB LEU 11 9.919 15.281 -4.695
85 HB3 LEU 11 3HB LEU 11 10.527 14.768 -6.268
86 HG LEU 11 HG LEU 11 7.863 14.121 -6.418
87 HD11 LEU 11 1HD1 LEU 11 7.934 16.855 -5.195
88 HD12 LEU 11 2HD1 LEU 11 7.662 15.416 -4.213
89 HD13 LEU 11 3HD1 LEU 11 6.545 15.817 -5.518
90 HD21 LEU 11 1HD2 LEU 11 9.435 16.520 -7.305
91 HD22 LEU 11 2HD2 LEU 11 7.744 16.294 -7.753
92 HD23 LEU 11 3HD2 LEU 11 8.952 15.106 -8.244
93 H PHE 12 H PHE 12 8.015 11.720 -5.980
94 HA PHE 12 HA PHE 12 6.200 12.143 -3.713
95 HB2 PHE 12 2HB PHE 12 5.828 11.934 -6.568
96 HB3 PHE 12 3HB PHE 12 4.853 10.728 -5.735
97 HD1 PHE 12 HD1 PHE 12 2.695 11.576 -6.022
98 HD2 PHE 12 HD2 PHE 12 5.772 14.101 -4.515
99 HE1 PHE 12 HE1 PHE 12 1.018 13.297 -5.493
100 HE2 PHE 12 HE2 PHE 12 4.100 15.826 -3.983
101 HZ PHE 12 HZ PHE 12 1.720 15.426 -4.471
102 H GLY 13 H GLY 13 8.483 10.004 -4.613
103 HA2 GLY 13 2HA GLY 13 7.450 7.466 -4.553
104 HA3 GLY 13 3HA GLY 13 8.994 7.899 -3.833
105 H LYS 14 H LYS 14 7.598 9.737 -1.927
106 HA LYS 14 HA LYS 14 6.434 7.691 -0.155
107 HB2 LYS 14 2HB LYS 14 7.427 9.153 1.719
108 HB3 LYS 14 3HB LYS 14 8.518 8.108 0.820
109 HG2 LYS 14 2HG LYS 14 8.196 10.835 -0.243
110 HG3 LYS 14 3HG LYS 14 8.999 10.702 1.324
111 HD2 LYS 14 2HD LYS 14 10.178 8.696 -0.141
112 HD3 LYS 14 3HD LYS 14 9.946 9.972 -1.340
113 HE2 LYS 14 2HE LYS 14 10.898 11.406 0.748
114 HE3 LYS 14 3HE LYS 14 11.721 9.869 1.008
115 HZ1 LYS 14 1HZ LYS 14 13.165 10.498 -0.529
116 HZ2 LYS 14 2HZ LYS 14 12.261 11.874 -0.917
117 HZ3 LYS 14 3HZ LYS 14 11.939 10.404 -1.691
118 H ASN 15 H ASN 15 4.334 8.327 -0.823
119 HA ASN 15 HA ASN 15 3.273 10.862 -0.917
120 HB2 ASN 15 2HB ASN 15 2.267 8.279 -1.056
121 HB3 ASN 15 3HB ASN 15 1.425 8.977 0.325
122 HD21 ASN 15 1HD2 ASN 15 -0.553 9.194 -0.576
123 HD22 ASN 15 2HD2 ASN 15 -0.898 10.233 -1.912
124 H LYS 16 H LYS 16 4.184 9.004 1.862
125 HA LYS 16 HA LYS 16 2.691 10.064 3.900
126 HB2 LYS 16 2HB LYS 16 5.664 9.515 3.972
127 HB3 LYS 16 3HB LYS 16 4.608 9.639 5.373
128 HG2 LYS 16 2HG LYS 16 4.001 7.634 3.251
129 HG3 LYS 16 3HG LYS 16 5.274 7.308 4.430
130 HD2 LYS 16 2HD LYS 16 3.673 7.664 6.250
131 HD3 LYS 16 3HD LYS 16 2.402 7.985 5.068
132 HE2 LYS 16 2HE LYS 16 1.977 5.811 4.937
133 HE3 LYS 16 3HE LYS 16 3.625 5.521 4.381
134 HZ1 LYS 16 1HZ LYS 16 3.891 4.390 6.258
135 HZ2 LYS 16 2HZ LYS 16 2.448 4.969 6.924
136 HZ3 LYS 16 3HZ LYS 16 3.871 5.871 7.077
137 H SER 17 H SER 17 5.324 11.569 2.142
138 HA SER 17 HA SER 17 5.967 13.691 3.773
139 HB2 SER 17 2HB SER 17 6.673 12.959 1.260
140 HB3 SER 17 3HB SER 17 5.674 14.369 0.906
141 HG SER 17 HG SER 17 7.906 14.875 1.260
142 H ARG 18 H ARG 18 3.380 13.580 1.329
143 HA ARG 18 HA ARG 18 2.386 16.171 1.897
144 HB2 ARG 18 2HB ARG 18 1.838 14.106 0.045
145 HB3 ARG 18 3HB ARG 18 0.326 14.454 0.873
146 HG2 ARG 18 2HG ARG 18 1.488 16.938 0.246
147 HG3 ARG 18 3HG ARG 18 1.630 15.926 -1.193
148 HD2 ARG 18 2HD ARG 18 -0.964 15.911 0.245
149 HD3 ARG 18 3HD ARG 18 -0.546 17.364 -0.662
150 HE ARG 18 HE ARG 18 -1.257 14.791 -1.735
151 HH11 ARG 18 1HH1 ARG 18 0.388 17.800 -2.337
152 HH12 ARG 18 2HH1 ARG 18 0.254 17.679 -4.060
153 HH21 ARG 18 1HH2 ARG 18 -1.440 14.621 -4.003
154 HH22 ARG 18 2HH2 ARG 18 -0.786 15.871 -5.007
Start of MODEL 5
1 H1 VAL 1 H VAL 1 1.950 -3.522 -0.870
2 HA VAL 1 HA VAL 1 1.813 -1.982 -3.183
3 HB VAL 1 HB VAL 1 -0.070 -2.386 -1.583
4 HG11 VAL 1 1HG1 VAL 1 1.156 -1.846 0.478
5 HG12 VAL 1 2HG1 VAL 1 1.217 -0.153 -0.015
6 HG13 VAL 1 3HG1 VAL 1 -0.335 -0.917 0.331
7 HG21 VAL 1 1HG2 VAL 1 -1.211 -0.609 -2.403
8 HG22 VAL 1 2HG2 VAL 1 0.017 0.553 -1.899
9 HG23 VAL 1 3HG2 VAL 1 0.257 -0.406 -3.359
10 H ALA 2 H ALA 2 4.044 -1.726 -0.743
11 HA ALA 2 HA ALA 2 4.542 1.116 -1.351
12 HB1 ALA 2 1HB ALA 2 3.961 0.206 1.099
13 HB2 ALA 2 2HB ALA 2 5.710 -0.026 1.111
14 HB3 ALA 2 3HB ALA 2 5.035 1.575 0.808
15 H ARG 3 H ARG 3 5.994 -2.045 -0.743
16 HA ARG 3 HA ARG 3 8.676 -1.428 -0.981
17 HB2 ARG 3 2HB ARG 3 8.913 -3.781 -1.893
18 HB3 ARG 3 3HB ARG 3 8.089 -3.634 -0.346
19 HG2 ARG 3 2HG ARG 3 6.315 -4.676 -1.155
20 HG3 ARG 3 3HG ARG 3 6.162 -3.481 -2.444
21 HD2 ARG 3 2HD ARG 3 6.384 -5.679 -3.410
22 HD3 ARG 3 3HD ARG 3 7.833 -4.736 -3.758
23 HE ARG 3 HE ARG 3 8.103 -6.324 -1.398
24 HH11 ARG 3 1HH1 ARG 3 8.267 -6.388 -4.875
25 HH12 ARG 3 2HH1 ARG 3 9.357 -7.734 -4.929
26 HH21 ARG 3 1HH2 ARG 3 9.538 -8.097 -1.456
27 HH22 ARG 3 2HH2 ARG 3 10.079 -8.706 -2.984
28 H GLY 4 H GLY 4 6.234 -1.696 -3.472
29 HA2 GLY 4 2HA GLY 4 8.303 -1.149 -5.507
30 HA3 GLY 4 3HA GLY 4 6.774 -1.950 -5.839
31 H TRP 5 H TRP 5 6.673 0.718 -3.683
32 HA TRP 5 HA TRP 5 5.565 2.395 -5.838
33 HB2 TRP 5 2HB TRP 5 4.032 1.497 -3.937
34 HB3 TRP 5 3HB TRP 5 4.816 2.726 -2.949
35 HD1 TRP 5 HD1 TRP 5 2.238 2.292 -5.686
36 HE1 TRP 5 HE1 TRP 5 1.105 4.557 -6.150
37 HE3 TRP 5 HE3 TRP 5 5.304 5.312 -2.927
38 HZ2 TRP 5 HZ2 TRP 5 1.465 7.265 -5.440
39 HZ3 TRP 5 HZ3 TRP 5 4.842 7.728 -2.872
40 HH2 TRP 5 HH2 TRP 5 2.962 8.683 -4.103
41 H GLY 6 H GLY 6 7.838 2.161 -3.261
42 HA2 GLY 6 2HA GLY 6 8.326 5.039 -3.204
43 HA3 GLY 6 3HA GLY 6 9.093 3.833 -2.182
44 H ARG 7 H ARG 7 8.943 3.221 -5.573
45 HA ARG 7 HA ARG 7 11.787 3.957 -5.816
46 HB2 ARG 7 2HB ARG 7 10.316 1.496 -6.668
47 HB3 ARG 7 3HB ARG 7 11.694 2.037 -7.616
48 HG2 ARG 7 2HG ARG 7 12.305 2.015 -4.794
49 HG3 ARG 7 3HG ARG 7 11.747 0.437 -5.353
50 HD2 ARG 7 2HD ARG 7 14.028 0.327 -5.735
51 HD3 ARG 7 3HD ARG 7 13.401 0.819 -7.308
52 HE ARG 7 HE ARG 7 14.551 2.777 -7.093
53 HH11 ARG 7 1HH1 ARG 7 14.184 1.348 -3.940
54 HH12 ARG 7 2HH1 ARG 7 15.182 2.523 -3.148
55 HH21 ARG 7 1HH2 ARG 7 15.866 4.329 -6.062
56 HH22 ARG 7 2HH2 ARG 7 16.137 4.219 -4.356
57 H LYS 8 H LYS 8 8.806 3.367 -7.666
58 HA LYS 8 HA LYS 8 9.557 4.389 -10.111
59 HB2 LYS 8 2HB LYS 8 6.998 4.059 -8.672
60 HB3 LYS 8 3HB LYS 8 6.979 5.224 -9.989
61 HG2 LYS 8 2HG LYS 8 8.289 3.030 -11.053
62 HG3 LYS 8 3HG LYS 8 6.998 2.334 -10.071
63 HD2 LYS 8 2HD LYS 8 5.332 3.559 -11.249
64 HD3 LYS 8 3HD LYS 8 6.546 4.548 -12.064
65 HE2 LYS 8 2HE LYS 8 6.536 3.093 -13.743
66 HE3 LYS 8 3HE LYS 8 7.189 1.877 -12.647
67 HZ1 LYS 8 1HZ LYS 8 4.931 1.260 -12.045
68 HZ2 LYS 8 2HZ LYS 8 5.168 1.104 -13.712
69 HZ3 LYS 8 3HZ LYS 8 4.305 2.424 -13.101
70 H CYS 9 H CYS 9 7.429 6.301 -8.011
71 HA CYS 9 HA CYS 9 8.133 8.758 -9.163
72 HB2 CYS 9 2HB CYS 9 6.753 7.978 -6.614
73 HB3 CYS 9 3HB CYS 9 7.137 9.666 -6.931
74 HG CYS 9 HG CYS 9 5.500 8.009 -9.374
75 HA PRO 10 HA PRO 10 12.130 9.287 -7.273
76 HB2 PRO 10 2HB PRO 10 12.618 11.736 -8.339
77 HB3 PRO 10 3HB PRO 10 12.772 10.238 -9.264
78 HG2 PRO 10 2HG PRO 10 10.515 12.204 -9.204
79 HG3 PRO 10 3HG PRO 10 11.246 11.381 -10.595
80 HD2 PRO 10 2HD PRO 10 8.919 10.564 -9.476
81 HD3 PRO 10 3HD PRO 10 10.068 9.435 -10.222
82 H LEU 11 H LEU 11 9.933 12.101 -7.404
83 HA LEU 11 HA LEU 11 10.855 12.878 -4.730
84 HB2 LEU 11 2HB LEU 11 10.229 15.052 -5.203
85 HB3 LEU 11 3HB LEU 11 10.829 14.466 -6.753
86 HG LEU 11 HG LEU 11 8.142 13.927 -6.912
87 HD11 LEU 11 1HD1 LEU 11 8.033 15.338 -4.739
88 HD12 LEU 11 2HD1 LEU 11 6.878 15.649 -6.035
89 HD13 LEU 11 3HD1 LEU 11 8.273 16.707 -5.824
90 HD21 LEU 11 1HD2 LEU 11 9.874 16.170 -7.876
91 HD22 LEU 11 2HD2 LEU 11 8.155 16.128 -8.270
92 HD23 LEU 11 3HD2 LEU 11 9.209 14.805 -8.774
93 H PHE 12 H PHE 12 8.183 11.548 -6.408
94 HA PHE 12 HA PHE 12 6.365 12.114 -4.176
95 HB2 PHE 12 2HB PHE 12 6.017 11.824 -7.027
96 HB3 PHE 12 3HB PHE 12 4.985 10.687 -6.167
97 HD1 PHE 12 HD1 PHE 12 2.867 11.612 -6.514
98 HD2 PHE 12 HD2 PHE 12 6.024 14.058 -5.043
99 HE1 PHE 12 HE1 PHE 12 1.255 13.416 -6.065
100 HE2 PHE 12 HE2 PHE 12 4.417 15.866 -4.590
101 HZ PHE 12 HZ PHE 12 2.029 15.546 -5.100
102 H GLY 13 H GLY 13 8.568 9.855 -4.970
103 HA2 GLY 13 2HA GLY 13 7.426 7.365 -4.836
104 HA3 GLY 13 3HA GLY 13 8.982 7.757 -4.118
105 H LYS 14 H LYS 14 7.630 9.724 -2.298
106 HA LYS 14 HA LYS 14 6.389 7.786 -0.457
107 HB2 LYS 14 2HB LYS 14 7.405 9.292 1.367
108 HB3 LYS 14 3HB LYS 14 8.477 8.186 0.519
109 HG2 LYS 14 2HG LYS 14 9.341 9.959 -0.836
110 HG3 LYS 14 3HG LYS 14 8.150 11.092 -0.193
111 HD2 LYS 14 2HD LYS 14 9.923 11.651 1.126
112 HD3 LYS 14 3HD LYS 14 9.252 10.346 2.107
113 HE2 LYS 14 2HE LYS 14 11.198 9.586 0.009
114 HE3 LYS 14 3HE LYS 14 11.830 10.466 1.399
115 HZ1 LYS 14 1HZ LYS 14 11.549 7.832 1.351
116 HZ2 LYS 14 2HZ LYS 14 10.040 8.253 1.988
117 HZ3 LYS 14 3HZ LYS 14 11.456 8.740 2.775
118 H ASN 15 H ASN 15 4.313 8.448 -1.162
119 HA ASN 15 HA ASN 15 3.319 11.001 -1.381
120 HB2 ASN 15 2HB ASN 15 2.230 8.527 -1.560
121 HB3 ASN 15 3HB ASN 15 1.514 9.073 -0.047
122 HD21 ASN 15 1HD2 ASN 15 -0.243 8.611 -1.891
123 HD22 ASN 15 2HD2 ASN 15 -0.832 10.055 -2.634
124 H LYS 16 H LYS 16 4.176 9.260 1.488
125 HA LYS 16 HA LYS 16 2.707 10.443 3.471
126 HB2 LYS 16 2HB LYS 16 4.603 8.694 3.621
127 HB3 LYS 16 3HB LYS 16 5.677 10.078 3.777
128 HG2 LYS 16 2HG LYS 16 4.922 10.608 5.860
129 HG3 LYS 16 3HG LYS 16 3.315 9.939 5.570
130 HD2 LYS 16 2HD LYS 16 4.216 7.678 5.718
131 HD3 LYS 16 3HD LYS 16 5.839 8.329 5.962
132 HE2 LYS 16 2HE LYS 16 5.441 8.861 8.121
133 HE3 LYS 16 3HE LYS 16 3.768 9.323 7.809
134 HZ1 LYS 16 1HZ LYS 16 4.161 6.526 7.456
135 HZ2 LYS 16 2HZ LYS 16 3.065 7.335 8.457
136 HZ3 LYS 16 3HZ LYS 16 4.632 7.011 9.007
137 H SER 17 H SER 17 5.449 11.799 1.724
138 HA SER 17 HA SER 17 6.036 14.012 3.249
139 HB2 SER 17 2HB SER 17 5.890 14.141 0.239
140 HB3 SER 17 3HB SER 17 7.015 14.970 1.314
141 HG SER 17 HG SER 17 8.128 13.265 0.495
142 H ARG 18 H ARG 18 3.930 14.172 0.375
143 HA ARG 18 HA ARG 18 2.782 16.651 1.185
144 HB2 ARG 18 2HB ARG 18 1.458 16.510 -0.784
145 HB3 ARG 18 3HB ARG 18 3.030 15.836 -1.191
146 HG2 ARG 18 2HG ARG 18 2.014 14.019 -1.935
147 HG3 ARG 18 3HG ARG 18 1.459 13.688 -0.293
148 HD2 ARG 18 2HD ARG 18 -0.358 15.514 -0.978
149 HD3 ARG 18 3HD ARG 18 0.020 14.897 -2.586
150 HE ARG 18 HE ARG 18 -0.466 12.774 -0.766
151 HH11 ARG 18 1HH1 ARG 18 -2.067 15.223 -2.652
152 HH12 ARG 18 2HH1 ARG 18 -3.547 14.333 -2.792
153 HH21 ARG 18 1HH2 ARG 18 -2.408 11.592 -0.944
154 HH22 ARG 18 2HH2 ARG 18 -3.740 12.268 -1.820
Start of MODEL 6
1 H1 VAL 1 H VAL 1 0.320 -2.541 -0.671
2 HA VAL 1 HA VAL 1 2.455 -2.855 -1.399
3 HB VAL 1 HB VAL 1 1.531 -1.466 -3.915
4 HG11 VAL 1 1HG1 VAL 1 4.035 -2.414 -3.185
5 HG12 VAL 1 2HG1 VAL 1 3.362 -3.687 -4.206
6 HG13 VAL 1 3HG1 VAL 1 3.484 -2.037 -4.817
7 HG21 VAL 1 1HG2 VAL 1 0.814 -4.060 -2.761
8 HG22 VAL 1 2HG2 VAL 1 0.009 -3.113 -4.013
9 HG23 VAL 1 3HG2 VAL 1 1.381 -4.140 -4.429
10 H ALA 2 H ALA 2 4.092 -1.774 -0.542
11 HA ALA 2 HA ALA 2 4.356 1.100 -1.149
12 HB1 ALA 2 1HB ALA 2 5.670 0.124 1.290
13 HB2 ALA 2 2HB ALA 2 4.745 1.599 1.008
14 HB3 ALA 2 3HB ALA 2 3.907 0.078 1.319
15 H ARG 3 H ARG 3 5.986 -1.978 -0.731
16 HA ARG 3 HA ARG 3 8.640 -1.124 -0.946
17 HB2 ARG 3 2HB ARG 3 9.137 -3.428 -1.653
18 HB3 ARG 3 3HB ARG 3 8.060 -3.387 -0.264
19 HG2 ARG 3 2HG ARG 3 6.772 -4.802 -1.389
20 HG3 ARG 3 3HG ARG 3 6.334 -3.434 -2.414
21 HD2 ARG 3 2HD ARG 3 7.071 -4.814 -4.049
22 HD3 ARG 3 3HD ARG 3 8.633 -4.138 -3.588
23 HE ARG 3 HE ARG 3 8.259 -6.340 -1.977
24 HH11 ARG 3 1HH1 ARG 3 8.458 -5.703 -5.394
25 HH12 ARG 3 2HH1 ARG 3 9.117 -7.259 -5.778
26 HH21 ARG 3 1HH2 ARG 3 9.126 -8.392 -2.470
27 HH22 ARG 3 2HH2 ARG 3 9.495 -8.788 -4.114
28 H GLY 4 H GLY 4 6.155 -1.505 -3.348
29 HA2 GLY 4 2HA GLY 4 8.123 -1.080 -5.496
30 HA3 GLY 4 3HA GLY 4 6.490 -1.689 -5.720
31 H TRP 5 H TRP 5 5.603 0.484 -3.752
32 HA TRP 5 HA TRP 5 5.085 2.465 -5.792
33 HB2 TRP 5 2HB TRP 5 3.454 1.570 -3.964
34 HB3 TRP 5 3HB TRP 5 4.248 2.749 -2.924
35 HD1 TRP 5 HD1 TRP 5 1.757 2.468 -5.763
36 HE1 TRP 5 HE1 TRP 5 0.721 4.781 -6.211
37 HE3 TRP 5 HE3 TRP 5 4.819 5.313 -2.819
38 HZ2 TRP 5 HZ2 TRP 5 1.146 7.457 -5.422
39 HZ3 TRP 5 HZ3 TRP 5 4.437 7.742 -2.721
40 HH2 TRP 5 HH2 TRP 5 2.639 8.790 -3.997
41 H GLY 6 H GLY 6 7.262 2.037 -3.162
42 HA2 GLY 6 2HA GLY 6 7.869 4.886 -2.973
43 HA3 GLY 6 3HA GLY 6 8.555 3.608 -1.981
44 H ARG 7 H ARG 7 8.491 3.086 -5.379
45 HA ARG 7 HA ARG 7 11.358 3.752 -5.529
46 HB2 ARG 7 2HB ARG 7 9.848 1.350 -6.481
47 HB3 ARG 7 3HB ARG 7 11.280 1.868 -7.360
48 HG2 ARG 7 2HG ARG 7 11.847 1.808 -4.556
49 HG3 ARG 7 3HG ARG 7 11.148 0.268 -5.061
50 HD2 ARG 7 2HD ARG 7 13.466 0.027 -5.368
51 HD3 ARG 7 3HD ARG 7 12.812 0.318 -6.980
52 HE ARG 7 HE ARG 7 13.495 2.794 -6.128
53 HH11 ARG 7 1HH1 ARG 7 15.202 -0.234 -6.314
54 HH12 ARG 7 2HH1 ARG 7 16.750 0.504 -6.557
55 HH21 ARG 7 1HH2 ARG 7 15.528 3.778 -6.448
56 HH22 ARG 7 2HH2 ARG 7 16.935 2.786 -6.632
57 H LYS 8 H LYS 8 8.400 3.305 -7.448
58 HA LYS 8 HA LYS 8 9.235 4.322 -9.866
59 HB2 LYS 8 2HB LYS 8 6.644 4.084 -8.472
60 HB3 LYS 8 3HB LYS 8 6.693 5.280 -9.760
61 HG2 LYS 8 2HG LYS 8 7.512 3.537 -11.303
62 HG3 LYS 8 3HG LYS 8 7.348 2.351 -10.006
63 HD2 LYS 8 2HD LYS 8 5.056 4.059 -10.948
64 HD3 LYS 8 3HD LYS 8 5.430 2.488 -11.661
65 HE2 LYS 8 2HE LYS 8 4.883 2.960 -8.733
66 HE3 LYS 8 3HE LYS 8 3.684 2.396 -9.896
67 HZ1 LYS 8 1HZ LYS 8 5.968 0.779 -10.098
68 HZ2 LYS 8 2HZ LYS 8 4.410 0.341 -9.606
69 HZ3 LYS 8 3HZ LYS 8 5.537 0.878 -8.465
70 H CYS 9 H CYS 9 7.169 6.306 -7.770
71 HA CYS 9 HA CYS 9 8.026 8.740 -8.882
72 HB2 CYS 9 2HB CYS 9 6.501 7.991 -6.411
73 HB3 CYS 9 3HB CYS 9 7.004 9.659 -6.654
74 HG CYS 9 HG CYS 9 4.311 8.306 -7.691
75 HA PRO 10 HA PRO 10 11.973 9.046 -6.843
76 HB2 PRO 10 2HB PRO 10 12.620 11.480 -7.856
77 HB3 PRO 10 3HB PRO 10 12.733 9.987 -8.796
78 HG2 PRO 10 2HG PRO 10 10.576 12.063 -8.789
79 HG3 PRO 10 3HG PRO 10 11.315 11.221 -10.164
80 HD2 PRO 10 2HD PRO 10 8.911 10.509 -9.141
81 HD3 PRO 10 3HD PRO 10 10.029 9.333 -9.861
82 H LEU 11 H LEU 11 9.927 11.970 -7.014
83 HA LEU 11 HA LEU 11 10.777 12.653 -4.289
84 HB2 LEU 11 2HB LEU 11 10.563 14.831 -4.820
85 HB3 LEU 11 3HB LEU 11 10.765 14.216 -6.459
86 HG LEU 11 HG LEU 11 8.093 14.775 -5.176
87 HD11 LEU 11 1HD1 LEU 11 9.667 16.769 -5.565
88 HD12 LEU 11 2HD1 LEU 11 8.034 16.850 -6.225
89 HD13 LEU 11 3HD1 LEU 11 9.393 16.465 -7.281
90 HD21 LEU 11 1HD2 LEU 11 8.680 14.512 -8.102
91 HD22 LEU 11 2HD2 LEU 11 7.141 14.355 -7.255
92 HD23 LEU 11 3HD2 LEU 11 8.362 13.090 -7.109
93 H PHE 12 H PHE 12 8.192 11.332 -6.009
94 HA PHE 12 HA PHE 12 6.279 12.041 -3.890
95 HB2 PHE 12 2HB PHE 12 6.033 11.690 -6.779
96 HB3 PHE 12 3HB PHE 12 4.826 10.779 -5.878
97 HD1 PHE 12 HD1 PHE 12 6.288 13.985 -4.798
98 HD2 PHE 12 HD2 PHE 12 2.917 12.026 -6.503
99 HE1 PHE 12 HE1 PHE 12 4.958 16.036 -4.516
100 HE2 PHE 12 HE2 PHE 12 1.581 14.073 -6.226
101 HZ PHE 12 HZ PHE 12 2.602 16.082 -5.232
102 H GLY 13 H GLY 13 8.385 9.674 -4.647
103 HA2 GLY 13 2HA GLY 13 7.094 7.252 -4.598
104 HA3 GLY 13 3HA GLY 13 8.648 7.539 -3.829
105 H LYS 14 H LYS 14 7.349 9.555 -2.017
106 HA LYS 14 HA LYS 14 5.951 7.659 -0.246
107 HB2 LYS 14 2HB LYS 14 6.991 9.080 1.633
108 HB3 LYS 14 3HB LYS 14 8.027 7.929 0.798
109 HG2 LYS 14 2HG LYS 14 8.995 9.693 -0.527
110 HG3 LYS 14 3HG LYS 14 7.881 10.871 0.171
111 HD2 LYS 14 2HD LYS 14 9.982 11.106 1.285
112 HD3 LYS 14 3HD LYS 14 8.860 10.341 2.413
113 HE2 LYS 14 2HE LYS 14 9.857 8.224 2.122
114 HE3 LYS 14 3HE LYS 14 10.736 8.748 0.687
115 HZ1 LYS 14 1HZ LYS 14 12.423 9.383 1.950
116 HZ2 LYS 14 2HZ LYS 14 11.637 8.746 3.305
117 HZ3 LYS 14 3HZ LYS 14 11.427 10.374 2.892
118 H ASN 15 H ASN 15 3.935 8.443 -0.996
119 HA ASN 15 HA ASN 15 3.082 11.043 -1.213
120 HB2 ASN 15 2HB ASN 15 1.867 8.629 -1.425
121 HB3 ASN 15 3HB ASN 15 1.146 9.212 0.072
122 HD21 ASN 15 1HD2 ASN 15 -0.133 11.069 0.036
123 HD22 ASN 15 2HD2 ASN 15 -0.803 11.683 -1.434
124 H LYS 16 H LYS 16 3.766 9.238 1.667
125 HA LYS 16 HA LYS 16 2.322 10.510 3.617
126 HB2 LYS 16 2HB LYS 16 5.235 9.717 3.792
127 HB3 LYS 16 3HB LYS 16 4.161 9.993 5.158
128 HG2 LYS 16 2HG LYS 16 2.714 8.136 4.089
129 HG3 LYS 16 3HG LYS 16 4.186 7.734 3.202
130 HD2 LYS 16 2HD LYS 16 4.576 8.139 6.081
131 HD3 LYS 16 3HD LYS 16 3.535 6.774 5.671
132 HE2 LYS 16 2HE LYS 16 5.379 6.130 4.005
133 HE3 LYS 16 3HE LYS 16 6.395 7.260 4.899
134 HZ1 LYS 16 1HZ LYS 16 4.914 5.127 6.299
135 HZ2 LYS 16 2HZ LYS 16 6.289 5.971 6.806
136 HZ3 LYS 16 3HZ LYS 16 6.413 4.810 5.582
137 H SER 17 H SER 17 5.112 11.711 1.867
138 HA SER 17 HA SER 17 5.897 13.841 3.422
139 HB2 SER 17 2HB SER 17 5.666 14.007 0.416
140 HB3 SER 17 3HB SER 17 6.845 14.804 1.457
141 HG SER 17 HG SER 17 7.895 13.070 0.643
142 H ARG 18 H ARG 18 3.542 14.030 0.746
143 HA ARG 18 HA ARG 18 2.682 16.648 1.450
144 HB2 ARG 18 2HB ARG 18 2.338 14.915 -0.723
145 HB3 ARG 18 3HB ARG 18 0.721 15.167 -0.079
146 HG2 ARG 18 2HG ARG 18 0.851 17.503 -0.400
147 HG3 ARG 18 3HG ARG 18 2.588 17.434 -0.704
148 HD2 ARG 18 2HD ARG 18 1.955 17.492 -2.864
149 HD3 ARG 18 3HD ARG 18 1.689 15.765 -2.625
150 HE ARG 18 HE ARG 18 -0.535 16.139 -2.936
151 HH11 ARG 18 1HH1 ARG 18 0.954 19.126 -1.945
152 HH12 ARG 18 2HH1 ARG 18 -0.496 20.058 -2.122
153 HH21 ARG 18 1HH2 ARG 18 -2.450 17.355 -3.172
154 HH22 ARG 18 2HH2 ARG 18 -2.431 19.050 -2.819
Start of MODEL 7
1 H1 VAL 1 H VAL 1 0.696 -1.712 -2.209
2 HA VAL 1 HA VAL 1 3.203 -3.098 -1.511
3 HB VAL 1 HB VAL 1 2.409 -1.961 -4.195
4 HG11 VAL 1 1HG1 VAL 1 4.941 -2.797 -3.079
5 HG12 VAL 1 2HG1 VAL 1 4.514 -3.751 -4.501
6 HG13 VAL 1 3HG1 VAL 1 4.596 -1.992 -4.610
7 HG21 VAL 1 1HG2 VAL 1 2.430 -4.403 -4.855
8 HG22 VAL 1 2HG2 VAL 1 2.429 -4.776 -3.131
9 HG23 VAL 1 3HG2 VAL 1 1.082 -3.887 -3.842
10 H ALA 2 H ALA 2 4.679 -1.849 -0.594
11 HA ALA 2 HA ALA 2 4.732 1.017 -1.287
12 HB1 ALA 2 1HB ALA 2 4.117 0.100 1.151
13 HB2 ALA 2 2HB ALA 2 5.873 0.172 1.304
14 HB3 ALA 2 3HB ALA 2 4.965 1.623 0.880
15 H ARG 3 H ARG 3 6.621 -1.852 -0.511
16 HA ARG 3 HA ARG 3 9.181 -0.776 -0.557
17 HB2 ARG 3 2HB ARG 3 9.946 -3.040 -1.158
18 HB3 ARG 3 3HB ARG 3 8.751 -3.068 0.132
19 HG2 ARG 3 2HG ARG 3 7.844 -4.705 -1.105
20 HG3 ARG 3 3HG ARG 3 7.145 -3.361 -2.010
21 HD2 ARG 3 2HD ARG 3 8.185 -4.082 -3.833
22 HD3 ARG 3 3HD ARG 3 9.732 -3.782 -3.043
23 HE ARG 3 HE ARG 3 9.969 -6.037 -2.725
24 HH11 ARG 3 1HH1 ARG 3 6.659 -5.338 -3.547
25 HH12 ARG 3 2HH1 ARG 3 6.211 -7.004 -3.712
26 HH21 ARG 3 1HH2 ARG 3 9.392 -8.233 -2.938
27 HH22 ARG 3 2HH2 ARG 3 7.767 -8.650 -3.364
28 H GLY 4 H GLY 4 6.986 -1.453 -3.172
29 HA2 GLY 4 2HA GLY 4 9.102 -0.868 -5.134
30 HA3 GLY 4 3HA GLY 4 7.570 -1.650 -5.495
31 H TRP 5 H TRP 5 6.264 0.449 -3.697
32 HA TRP 5 HA TRP 5 5.709 2.305 -5.828
33 HB2 TRP 5 2HB TRP 5 4.057 1.337 -4.074
34 HB3 TRP 5 3HB TRP 5 4.690 2.596 -3.016
35 HD1 TRP 5 HD1 TRP 5 2.395 2.059 -5.980
36 HE1 TRP 5 HE1 TRP 5 1.201 4.270 -6.537
37 HE3 TRP 5 HE3 TRP 5 5.046 5.201 -2.941
38 HZ2 TRP 5 HZ2 TRP 5 1.363 6.987 -5.788
39 HZ3 TRP 5 HZ3 TRP 5 4.464 7.592 -2.921
40 HH2 TRP 5 HH2 TRP 5 2.660 8.464 -4.316
41 H GLY 6 H GLY 6 7.752 2.208 -3.057
42 HA2 GLY 6 2HA GLY 6 8.083 5.110 -2.999
43 HA3 GLY 6 3HA GLY 6 8.803 3.959 -1.883
44 H ARG 7 H ARG 7 8.989 3.410 -5.306
45 HA ARG 7 HA ARG 7 11.831 4.189 -5.242
46 HB2 ARG 7 2HB ARG 7 10.705 1.636 -5.702
47 HB3 ARG 7 3HB ARG 7 11.313 2.206 -7.251
48 HG2 ARG 7 2HG ARG 7 13.512 2.480 -6.373
49 HG3 ARG 7 3HG ARG 7 12.949 2.176 -4.728
50 HD2 ARG 7 2HD ARG 7 13.915 0.153 -5.377
51 HD3 ARG 7 3HD ARG 7 12.187 -0.103 -5.617
52 HE ARG 7 HE ARG 7 13.393 0.842 -7.997
53 HH11 ARG 7 1HH1 ARG 7 13.104 -1.997 -6.004
54 HH12 ARG 7 2HH1 ARG 7 13.347 -3.102 -7.317
55 HH21 ARG 7 1HH2 ARG 7 13.715 -0.602 -9.733
56 HH22 ARG 7 2HH2 ARG 7 13.696 -2.308 -9.437
57 H LYS 8 H LYS 8 9.125 3.536 -7.469
58 HA LYS 8 HA LYS 8 10.102 4.719 -9.748
59 HB2 LYS 8 2HB LYS 8 7.408 4.192 -8.655
60 HB3 LYS 8 3HB LYS 8 7.486 5.413 -9.919
61 HG2 LYS 8 2HG LYS 8 7.359 3.727 -11.359
62 HG3 LYS 8 3HG LYS 8 9.033 3.370 -10.925
63 HD2 LYS 8 2HD LYS 8 8.371 1.737 -9.343
64 HD3 LYS 8 3HD LYS 8 6.686 2.260 -9.401
65 HE2 LYS 8 2HE LYS 8 7.671 1.509 -12.019
66 HE3 LYS 8 3HE LYS 8 7.848 0.196 -10.857
67 HZ1 LYS 8 1HZ LYS 8 5.570 0.145 -10.457
68 HZ2 LYS 8 2HZ LYS 8 5.668 0.364 -12.131
69 HZ3 LYS 8 3HZ LYS 8 5.305 1.676 -11.127
70 H CYS 9 H CYS 9 7.620 6.420 -7.869
71 HA CYS 9 HA CYS 9 8.294 8.959 -8.825
72 HB2 CYS 9 2HB CYS 9 6.726 7.994 -6.452
73 HB3 CYS 9 3HB CYS 9 7.026 9.713 -6.679
74 HG CYS 9 HG CYS 9 4.941 7.667 -8.332
75 HA PRO 10 HA PRO 10 12.050 9.613 -6.518
76 HB2 PRO 10 2HB PRO 10 12.517 12.115 -7.463
77 HB3 PRO 10 3HB PRO 10 12.844 10.656 -8.405
78 HG2 PRO 10 2HG PRO 10 10.493 12.505 -8.531
79 HG3 PRO 10 3HG PRO 10 11.406 11.764 -9.859
80 HD2 PRO 10 2HD PRO 10 9.022 10.799 -9.013
81 HD3 PRO 10 3HD PRO 10 10.299 9.751 -9.663
82 H LEU 11 H LEU 11 9.740 12.323 -6.808
83 HA LEU 11 HA LEU 11 10.338 13.059 -4.032
84 HB2 LEU 11 2HB LEU 11 9.642 15.213 -4.512
85 HB3 LEU 11 3HB LEU 11 10.439 14.708 -6.001
86 HG LEU 11 HG LEU 11 7.823 14.034 -6.475
87 HD11 LEU 11 1HD1 LEU 11 7.399 15.361 -4.283
88 HD12 LEU 11 2HD1 LEU 11 6.368 15.640 -5.685
89 HD13 LEU 11 3HD1 LEU 11 7.660 16.776 -5.302
90 HD21 LEU 11 1HD2 LEU 11 8.911 15.038 -8.216
91 HD22 LEU 11 2HD2 LEU 11 9.596 16.309 -7.204
92 HD23 LEU 11 3HD2 LEU 11 7.899 16.378 -7.679
93 H PHE 12 H PHE 12 7.915 11.672 -6.024
94 HA PHE 12 HA PHE 12 5.852 12.073 -3.978
95 HB2 PHE 12 2HB PHE 12 5.820 11.845 -6.855
96 HB3 PHE 12 3HB PHE 12 4.766 10.632 -6.136
97 HD1 PHE 12 HD1 PHE 12 2.656 11.469 -6.711
98 HD2 PHE 12 HD2 PHE 12 5.492 14.007 -4.805
99 HE1 PHE 12 HE1 PHE 12 0.911 13.174 -6.394
100 HE2 PHE 12 HE2 PHE 12 3.751 15.716 -4.484
101 HZ PHE 12 HZ PHE 12 1.457 15.301 -5.278
102 H GLY 13 H GLY 13 8.245 9.954 -4.571
103 HA2 GLY 13 2HA GLY 13 7.222 7.406 -4.613
104 HA3 GLY 13 3HA GLY 13 8.678 7.854 -3.737
105 H LYS 14 H LYS 14 7.013 9.714 -2.040
106 HA LYS 14 HA LYS 14 5.741 7.661 -0.351
107 HB2 LYS 14 2HB LYS 14 6.441 9.215 1.577
108 HB3 LYS 14 3HB LYS 14 7.682 8.213 0.836
109 HG2 LYS 14 2HG LYS 14 8.681 10.010 -0.230
110 HG3 LYS 14 3HG LYS 14 7.234 11.014 -0.110
111 HD2 LYS 14 2HD LYS 14 7.601 10.876 2.431
112 HD3 LYS 14 3HD LYS 14 9.224 10.312 2.026
113 HE2 LYS 14 2HE LYS 14 8.155 12.805 0.771
114 HE3 LYS 14 3HE LYS 14 8.779 12.853 2.419
115 HZ1 LYS 14 1HZ LYS 14 10.871 11.931 1.591
116 HZ2 LYS 14 2HZ LYS 14 10.505 13.407 0.850
117 HZ3 LYS 14 3HZ LYS 14 10.269 11.957 0.010
118 H ASN 15 H ASN 15 3.697 8.158 -1.242
119 HA ASN 15 HA ASN 15 2.502 10.581 -1.614
120 HB2 ASN 15 2HB ASN 15 0.360 9.480 -1.277
121 HB3 ASN 15 3HB ASN 15 1.453 8.396 -2.131
122 HD21 ASN 15 1HD2 ASN 15 2.151 6.537 -1.150
123 HD22 ASN 15 2HD2 ASN 15 1.493 5.952 0.336
124 H LYS 16 H LYS 16 2.888 8.846 1.437
125 HA LYS 16 HA LYS 16 1.310 10.247 3.153
126 HB2 LYS 16 2HB LYS 16 4.169 9.424 3.696
127 HB3 LYS 16 3HB LYS 16 2.946 9.764 4.914
128 HG2 LYS 16 2HG LYS 16 2.788 7.547 2.882
129 HG3 LYS 16 3HG LYS 16 3.306 7.358 4.560
130 HD2 LYS 16 2HD LYS 16 1.074 8.306 5.239
131 HD3 LYS 16 3HD LYS 16 0.588 8.179 3.547
132 HE2 LYS 16 2HE LYS 16 0.288 5.964 3.688
133 HE3 LYS 16 3HE LYS 16 1.778 5.731 4.602
134 HZ1 LYS 16 1HZ LYS 16 -0.774 5.540 5.573
135 HZ2 LYS 16 2HZ LYS 16 -0.228 7.031 6.157
136 HZ3 LYS 16 3HZ LYS 16 0.644 5.621 6.492
137 H SER 17 H SER 17 4.329 11.315 1.712
138 HA SER 17 HA SER 17 4.966 13.502 3.248
139 HB2 SER 17 2HB SER 17 5.997 12.498 1.000
140 HB3 SER 17 3HB SER 17 5.115 13.850 0.291
141 HG SER 17 HG SER 17 6.243 15.232 1.724
142 H ARG 18 H ARG 18 2.963 13.630 0.294
143 HA ARG 18 HA ARG 18 1.796 16.136 1.281
144 HB2 ARG 18 2HB ARG 18 2.253 14.974 -1.422
145 HB3 ARG 18 3HB ARG 18 0.849 16.012 -1.210
146 HG2 ARG 18 2HG ARG 18 3.586 16.881 -0.352
147 HG3 ARG 18 3HG ARG 18 3.021 17.083 -2.012
148 HD2 ARG 18 2HD ARG 18 1.080 18.349 -1.160
149 HD3 ARG 18 3HD ARG 18 1.726 18.198 0.473
150 HE ARG 18 HE ARG 18 2.563 20.041 -1.539
151 HH11 ARG 18 1HH1 ARG 18 3.646 18.196 1.208
152 HH12 ARG 18 2HH1 ARG 18 4.942 19.281 1.589
153 HH21 ARG 18 1HH2 ARG 18 4.266 21.476 -1.047
154 HH22 ARG 18 2HH2 ARG 18 5.293 21.147 0.307
Start of MODEL 8
1 H1 VAL 1 H VAL 1 1.611 -3.754 -1.703
2 HA VAL 1 HA VAL 1 2.735 -2.633 -3.769
3 HB VAL 1 HB VAL 1 0.919 -1.039 -4.060
4 HG11 VAL 1 1HG1 VAL 1 0.589 -3.568 -4.227
5 HG12 VAL 1 2HG1 VAL 1 -0.265 -3.434 -2.688
6 HG13 VAL 1 3HG1 VAL 1 -0.857 -2.567 -4.106
7 HG21 VAL 1 1HG2 VAL 1 -0.001 0.035 -2.349
8 HG22 VAL 1 2HG2 VAL 1 -0.584 -1.487 -1.674
9 HG23 VAL 1 3HG2 VAL 1 1.017 -0.886 -1.242
10 H ALA 2 H ALA 2 4.389 -2.030 -1.430
11 HA ALA 2 HA ALA 2 4.737 0.868 -1.846
12 HB1 ALA 2 1HB ALA 2 4.999 1.228 0.351
13 HB2 ALA 2 2HB ALA 2 4.166 -0.316 0.535
14 HB3 ALA 2 3HB ALA 2 5.928 -0.253 0.585
15 H ARG 3 H ARG 3 6.339 -2.240 -1.380
16 HA ARG 3 HA ARG 3 8.991 -1.457 -1.454
17 HB2 ARG 3 2HB ARG 3 9.478 -3.713 -2.313
18 HB3 ARG 3 3HB ARG 3 8.321 -3.750 -0.989
19 HG2 ARG 3 2HG ARG 3 6.546 -3.747 -2.882
20 HG3 ARG 3 3HG ARG 3 7.890 -4.283 -3.893
21 HD2 ARG 3 2HD ARG 3 7.473 -5.665 -1.300
22 HD3 ARG 3 3HD ARG 3 6.317 -5.986 -2.591
23 HE ARG 3 HE ARG 3 8.939 -6.223 -3.590
24 HH11 ARG 3 1HH1 ARG 3 6.689 -7.846 -1.488
25 HH12 ARG 3 2HH1 ARG 3 7.358 -9.419 -1.771
26 HH21 ARG 3 1HH2 ARG 3 9.830 -8.288 -3.970
27 HH22 ARG 3 2HH2 ARG 3 9.146 -9.669 -3.182
28 H GLY 4 H GLY 4 6.672 -1.720 -4.062
29 HA2 GLY 4 2HA GLY 4 8.784 -0.937 -5.972
30 HA3 GLY 4 3HA GLY 4 7.318 -1.799 -6.413
31 H TRP 5 H TRP 5 6.976 0.724 -4.114
32 HA TRP 5 HA TRP 5 5.867 2.467 -6.216
33 HB2 TRP 5 2HB TRP 5 4.306 1.370 -4.446
34 HB3 TRP 5 3HB TRP 5 4.973 2.577 -3.351
35 HD1 TRP 5 HD1 TRP 5 2.550 2.172 -6.232
36 HE1 TRP 5 HE1 TRP 5 1.308 4.394 -6.613
37 HE3 TRP 5 HE3 TRP 5 5.305 5.179 -3.150
38 HZ2 TRP 5 HZ2 TRP 5 1.476 7.068 -5.725
39 HZ3 TRP 5 HZ3 TRP 5 4.699 7.557 -2.973
40 HH2 TRP 5 HH2 TRP 5 2.824 8.480 -4.235
41 H GLY 6 H GLY 6 8.039 2.198 -3.559
42 HA2 GLY 6 2HA GLY 6 8.353 5.089 -3.302
43 HA3 GLY 6 3HA GLY 6 9.149 3.864 -2.324
44 H ARG 7 H ARG 7 9.171 3.470 -5.751
45 HA ARG 7 HA ARG 7 11.975 4.376 -5.821
46 HB2 ARG 7 2HB ARG 7 10.684 1.900 -6.893
47 HB3 ARG 7 3HB ARG 7 12.067 2.578 -7.742
48 HG2 ARG 7 2HG ARG 7 12.601 2.427 -4.923
49 HG3 ARG 7 3HG ARG 7 12.093 0.856 -5.547
50 HD2 ARG 7 2HD ARG 7 13.775 1.241 -7.420
51 HD3 ARG 7 3HD ARG 7 14.400 2.565 -6.437
52 HE ARG 7 HE ARG 7 15.425 1.022 -5.107
53 HH11 ARG 7 1HH1 ARG 7 12.892 -0.558 -6.899
54 HH12 ARG 7 2HH1 ARG 7 13.309 -2.145 -6.342
55 HH21 ARG 7 1HH2 ARG 7 15.983 -1.062 -4.366
56 HH22 ARG 7 2HH2 ARG 7 15.067 -2.430 -4.901
57 H LYS 8 H LYS 8 9.108 3.750 -7.832
58 HA LYS 8 HA LYS 8 9.897 4.969 -10.172
59 HB2 LYS 8 2HB LYS 8 7.307 4.406 -8.869
60 HB3 LYS 8 3HB LYS 8 7.272 5.655 -10.106
61 HG2 LYS 8 2HG LYS 8 7.027 3.999 -11.566
62 HG3 LYS 8 3HG LYS 8 8.735 3.648 -11.290
63 HD2 LYS 8 2HD LYS 8 8.115 2.086 -9.502
64 HD3 LYS 8 3HD LYS 8 6.410 2.431 -9.797
65 HE2 LYS 8 2HE LYS 8 7.452 1.765 -12.293
66 HE3 LYS 8 3HE LYS 8 8.194 0.622 -11.175
67 HZ1 LYS 8 1HZ LYS 8 5.487 0.770 -12.095
68 HZ2 LYS 8 2HZ LYS 8 5.584 0.688 -10.408
69 HZ3 LYS 8 3HZ LYS 8 6.305 -0.513 -11.356
70 H CYS 9 H CYS 9 7.582 6.621 -8.050
71 HA CYS 9 HA CYS 9 8.198 9.183 -9.012
72 HB2 CYS 9 2HB CYS 9 6.744 8.163 -6.593
73 HB3 CYS 9 3HB CYS 9 7.052 9.886 -6.775
74 HG CYS 9 HG CYS 9 5.668 10.084 -9.213
75 HA PRO 10 HA PRO 10 12.066 9.796 -6.893
76 HB2 PRO 10 2HB PRO 10 12.465 12.334 -7.772
77 HB3 PRO 10 3HB PRO 10 12.746 10.912 -8.784
78 HG2 PRO 10 2HG PRO 10 10.381 12.747 -8.709
79 HG3 PRO 10 3HG PRO 10 11.221 12.060 -10.112
80 HD2 PRO 10 2HD PRO 10 8.894 11.047 -9.167
81 HD3 PRO 10 3HD PRO 10 10.138 10.033 -9.926
82 H LEU 11 H LEU 11 9.722 12.491 -6.951
83 HA LEU 11 HA LEU 11 10.475 13.135 -4.190
84 HB2 LEU 11 2HB LEU 11 9.749 15.299 -4.552
85 HB3 LEU 11 3HB LEU 11 10.453 14.852 -6.104
86 HG LEU 11 HG LEU 11 7.817 14.182 -6.445
87 HD11 LEU 11 1HD1 LEU 11 7.735 16.865 -5.125
88 HD12 LEU 11 2HD1 LEU 11 7.492 15.393 -4.186
89 HD13 LEU 11 3HD1 LEU 11 6.408 15.774 -5.524
90 HD21 LEU 11 1HD2 LEU 11 9.298 16.725 -7.088
91 HD22 LEU 11 2HD2 LEU 11 7.717 16.315 -7.753
92 HD23 LEU 11 3HD2 LEU 11 9.114 15.296 -8.106
93 H PHE 12 H PHE 12 7.961 11.783 -6.083
94 HA PHE 12 HA PHE 12 6.015 12.096 -3.909
95 HB2 PHE 12 2HB PHE 12 5.812 11.996 -6.785
96 HB3 PHE 12 3HB PHE 12 4.808 10.744 -6.060
97 HD1 PHE 12 HD1 PHE 12 2.662 11.587 -6.463
98 HD2 PHE 12 HD2 PHE 12 5.598 14.066 -4.632
99 HE1 PHE 12 HE1 PHE 12 0.931 13.264 -5.966
100 HE2 PHE 12 HE2 PHE 12 3.872 15.746 -4.131
101 HZ PHE 12 HZ PHE 12 1.535 15.346 -4.798
102 H GLY 13 H GLY 13 8.377 10.022 -4.728
103 HA2 GLY 13 2HA GLY 13 7.364 7.471 -4.826
104 HA3 GLY 13 3HA GLY 13 8.865 7.890 -4.014
105 H LYS 14 H LYS 14 7.288 9.663 -2.147
106 HA LYS 14 HA LYS 14 6.122 7.528 -0.482
107 HB2 LYS 14 2HB LYS 14 6.924 8.997 1.471
108 HB3 LYS 14 3HB LYS 14 8.125 8.038 0.617
109 HG2 LYS 14 2HG LYS 14 8.859 9.974 -0.617
110 HG3 LYS 14 3HG LYS 14 7.581 10.955 0.105
111 HD2 LYS 14 2HD LYS 14 8.570 10.642 2.311
112 HD3 LYS 14 3HD LYS 14 9.827 9.616 1.615
113 HE2 LYS 14 2HE LYS 14 9.781 12.050 0.160
114 HE3 LYS 14 3HE LYS 14 9.776 12.450 1.877
115 HZ1 LYS 14 1HZ LYS 14 11.991 12.222 1.574
116 HZ2 LYS 14 2HZ LYS 14 11.836 11.146 0.279
117 HZ3 LYS 14 3HZ LYS 14 11.644 10.592 1.865
118 H ASN 15 H ASN 15 4.029 8.052 -1.234
119 HA ASN 15 HA ASN 15 2.800 10.473 -1.440
120 HB2 ASN 15 2HB ASN 15 0.689 9.348 -1.002
121 HB3 ASN 15 3HB ASN 15 1.731 8.296 -1.956
122 HD21 ASN 15 1HD2 ASN 15 2.767 6.536 -0.911
123 HD22 ASN 15 2HD2 ASN 15 2.102 5.855 0.531
124 H LYS 16 H LYS 16 3.380 8.642 1.525
125 HA LYS 16 HA LYS 16 1.915 9.965 3.386
126 HB2 LYS 16 2HB LYS 16 3.668 8.089 3.679
127 HB3 LYS 16 3HB LYS 16 4.822 9.397 3.909
128 HG2 LYS 16 2HG LYS 16 4.274 9.363 6.056
129 HG3 LYS 16 3HG LYS 16 2.713 10.043 5.591
130 HD2 LYS 16 2HD LYS 16 1.941 8.199 6.660
131 HD3 LYS 16 3HD LYS 16 2.230 7.456 5.085
132 HE2 LYS 16 2HE LYS 16 4.577 6.943 5.972
133 HE3 LYS 16 3HE LYS 16 3.921 7.327 7.563
134 HZ1 LYS 16 1HZ LYS 16 2.200 5.619 7.155
135 HZ2 LYS 16 2HZ LYS 16 3.767 4.986 7.213
136 HZ3 LYS 16 3HZ LYS 16 2.992 5.192 5.723
137 H SER 17 H SER 17 4.871 11.111 1.849
138 HA SER 17 HA SER 17 5.505 13.286 3.400
139 HB2 SER 17 2HB SER 17 6.430 12.320 1.046
140 HB3 SER 17 3HB SER 17 5.604 13.772 0.480
141 HG SER 17 HG SER 17 7.355 13.882 2.683
142 H ARG 18 H ARG 18 3.334 13.329 0.569
143 HA ARG 18 HA ARG 18 2.049 15.718 1.721
144 HB2 ARG 18 2HB ARG 18 3.236 15.342 -0.843
145 HB3 ARG 18 3HB ARG 18 1.502 15.524 -1.069
146 HG2 ARG 18 2HG ARG 18 2.859 17.448 0.731
147 HG3 ARG 18 3HG ARG 18 3.146 17.596 -1.004
148 HD2 ARG 18 2HD ARG 18 0.350 17.183 -0.495
149 HD3 ARG 18 3HD ARG 18 0.946 18.536 0.466
150 HE ARG 18 HE ARG 18 1.856 18.743 -2.205
151 HH11 ARG 18 1HH1 ARG 18 -0.994 19.125 -0.242
152 HH12 ARG 18 2HH1 ARG 18 -1.714 20.305 -1.286
153 HH21 ARG 18 1HH2 ARG 18 0.919 20.296 -3.587
154 HH22 ARG 18 2HH2 ARG 18 -0.625 20.970 -3.189
Start of MODEL 9
1 H1 VAL 1 H VAL 1 0.777 -0.884 -2.167
2 HA VAL 1 HA VAL 1 2.401 -2.586 -0.569
3 HB VAL 1 HB VAL 1 4.098 -3.116 -2.321
4 HG11 VAL 1 1HG1 VAL 1 3.013 -5.092 -3.090
5 HG12 VAL 1 2HG1 VAL 1 2.376 -4.738 -1.483
6 HG13 VAL 1 3HG1 VAL 1 1.419 -4.357 -2.915
7 HG21 VAL 1 1HG2 VAL 1 3.598 -2.955 -4.629
8 HG22 VAL 1 2HG2 VAL 1 1.918 -2.523 -4.310
9 HG23 VAL 1 3HG2 VAL 1 3.208 -1.382 -3.931
10 H ALA 2 H ALA 2 4.532 -1.720 -0.215
11 HA ALA 2 HA ALA 2 4.785 1.096 -1.053
12 HB1 ALA 2 1HB ALA 2 5.214 1.769 1.053
13 HB2 ALA 2 2HB ALA 2 4.342 0.298 1.487
14 HB3 ALA 2 3HB ALA 2 6.105 0.301 1.455
15 H ARG 3 H ARG 3 6.468 -1.904 -0.292
16 HA ARG 3 HA ARG 3 9.100 -1.103 -0.598
17 HB2 ARG 3 2HB ARG 3 9.510 -3.480 -1.350
18 HB3 ARG 3 3HB ARG 3 8.666 -3.305 0.183
19 HG2 ARG 3 2HG ARG 3 6.659 -4.045 -0.684
20 HG3 ARG 3 3HG ARG 3 7.110 -3.641 -2.342
21 HD2 ARG 3 2HD ARG 3 8.257 -5.578 -2.647
22 HD3 ARG 3 3HD ARG 3 8.762 -5.670 -0.960
23 HE ARG 3 HE ARG 3 6.900 -6.924 -0.506
24 HH11 ARG 3 1HH1 ARG 3 6.519 -5.388 -3.607
25 HH12 ARG 3 2HH1 ARG 3 5.076 -6.260 -4.008
26 HH21 ARG 3 1HH2 ARG 3 5.001 -8.078 -1.021
27 HH22 ARG 3 2HH2 ARG 3 4.213 -7.789 -2.536
28 H GLY 4 H GLY 4 6.636 -1.587 -3.007
29 HA2 GLY 4 2HA GLY 4 8.634 -1.220 -5.143
30 HA3 GLY 4 3HA GLY 4 7.029 -1.902 -5.367
31 H TRP 5 H TRP 5 6.020 0.323 -3.524
32 HA TRP 5 HA TRP 5 5.452 2.179 -5.661
33 HB2 TRP 5 2HB TRP 5 3.852 1.327 -3.780
34 HB3 TRP 5 3HB TRP 5 4.599 2.596 -2.814
35 HD1 TRP 5 HD1 TRP 5 2.126 2.050 -5.630
36 HE1 TRP 5 HE1 TRP 5 1.002 4.290 -6.216
37 HE3 TRP 5 HE3 TRP 5 5.069 5.181 -2.862
38 HZ2 TRP 5 HZ2 TRP 5 1.322 7.023 -5.587
39 HZ3 TRP 5 HZ3 TRP 5 4.594 7.595 -2.909
40 HH2 TRP 5 HH2 TRP 5 2.759 8.495 -4.244
41 H GLY 6 H GLY 6 7.643 1.970 -3.018
42 HA2 GLY 6 2HA GLY 6 8.142 4.844 -2.968
43 HA3 GLY 6 3HA GLY 6 8.887 3.639 -1.928
44 H ARG 7 H ARG 7 8.827 2.926 -5.282
45 HA ARG 7 HA ARG 7 11.654 3.730 -5.505
46 HB2 ARG 7 2HB ARG 7 11.652 1.363 -5.382
47 HB3 ARG 7 3HB ARG 7 10.266 1.231 -6.456
48 HG2 ARG 7 2HG ARG 7 11.526 1.361 -8.312
49 HG3 ARG 7 3HG ARG 7 12.628 2.546 -7.609
50 HD2 ARG 7 2HD ARG 7 12.859 -0.011 -6.289
51 HD3 ARG 7 3HD ARG 7 13.111 -0.168 -8.027
52 HE ARG 7 HE ARG 7 14.841 1.126 -6.136
53 HH11 ARG 7 1HH1 ARG 7 13.858 0.978 -9.472
54 HH12 ARG 7 2HH1 ARG 7 15.349 1.622 -10.076
55 HH21 ARG 7 1HH2 ARG 7 16.809 1.974 -6.918
56 HH22 ARG 7 2HH2 ARG 7 17.027 2.187 -8.622
57 H LYS 8 H LYS 8 8.675 3.069 -7.318
58 HA LYS 8 HA LYS 8 9.428 3.936 -9.824
59 HB2 LYS 8 2HB LYS 8 6.880 3.706 -8.355
60 HB3 LYS 8 3HB LYS 8 6.859 4.826 -9.711
61 HG2 LYS 8 2HG LYS 8 8.014 2.779 -10.935
62 HG3 LYS 8 3HG LYS 8 7.154 1.878 -9.684
63 HD2 LYS 8 2HD LYS 8 5.226 2.121 -10.767
64 HD3 LYS 8 3HD LYS 8 5.430 3.873 -10.823
65 HE2 LYS 8 2HE LYS 8 7.075 3.359 -12.764
66 HE3 LYS 8 3HE LYS 8 6.251 1.802 -12.824
67 HZ1 LYS 8 1HZ LYS 8 5.177 3.245 -14.345
68 HZ2 LYS 8 2HZ LYS 8 5.050 4.487 -13.204
69 HZ3 LYS 8 3HZ LYS 8 4.135 3.076 -13.023
70 H CYS 9 H CYS 9 7.351 5.994 -7.812
71 HA CYS 9 HA CYS 9 8.131 8.371 -9.105
72 HB2 CYS 9 2HB CYS 9 6.620 7.749 -6.592
73 HB3 CYS 9 3HB CYS 9 7.082 9.410 -6.942
74 HG CYS 9 HG CYS 9 5.828 8.847 -9.671
75 HA PRO 10 HA PRO 10 12.062 8.935 -7.095
76 HB2 PRO 10 2HB PRO 10 12.629 11.325 -8.252
77 HB3 PRO 10 3HB PRO 10 12.790 9.784 -9.102
78 HG2 PRO 10 2HG PRO 10 10.566 11.785 -9.212
79 HG3 PRO 10 3HG PRO 10 11.330 10.888 -10.537
80 HD2 PRO 10 2HD PRO 10 8.952 10.159 -9.467
81 HD3 PRO 10 3HD PRO 10 10.107 8.980 -10.119
82 H LEU 11 H LEU 11 9.915 11.770 -7.430
83 HA LEU 11 HA LEU 11 10.746 12.641 -4.752
84 HB2 LEU 11 2HB LEU 11 10.467 14.775 -5.411
85 HB3 LEU 11 3HB LEU 11 10.679 14.072 -7.013
86 HG LEU 11 HG LEU 11 7.999 14.627 -5.745
87 HD11 LEU 11 1HD1 LEU 11 9.236 16.225 -7.956
88 HD12 LEU 11 2HD1 LEU 11 9.510 16.639 -6.264
89 HD13 LEU 11 3HD1 LEU 11 7.871 16.633 -6.916
90 HD21 LEU 11 1HD2 LEU 11 7.045 14.044 -7.778
91 HD22 LEU 11 2HD2 LEU 11 8.316 12.837 -7.581
92 HD23 LEU 11 3HD2 LEU 11 8.565 14.213 -8.656
93 H PHE 12 H PHE 12 8.212 11.126 -6.378
94 HA PHE 12 HA PHE 12 6.279 11.893 -4.295
95 HB2 PHE 12 2HB PHE 12 6.035 11.398 -7.163
96 HB3 PHE 12 3HB PHE 12 4.860 10.492 -6.215
97 HD1 PHE 12 HD1 PHE 12 6.210 13.779 -5.254
98 HD2 PHE 12 HD2 PHE 12 2.921 11.657 -6.927
99 HE1 PHE 12 HE1 PHE 12 4.815 15.797 -5.063
100 HE2 PHE 12 HE2 PHE 12 1.521 13.672 -6.740
101 HZ PHE 12 HZ PHE 12 2.468 15.746 -5.808
102 H GLY 13 H GLY 13 8.459 9.565 -4.920
103 HA2 GLY 13 2HA GLY 13 7.236 7.108 -4.754
104 HA3 GLY 13 3HA GLY 13 8.785 7.478 -4.011
105 H LYS 14 H LYS 14 7.383 9.556 -2.315
106 HA LYS 14 HA LYS 14 6.102 7.697 -0.420
107 HB2 LYS 14 2HB LYS 14 7.052 9.265 1.366
108 HB3 LYS 14 3HB LYS 14 8.180 8.179 0.567
109 HG2 LYS 14 2HG LYS 14 9.053 9.934 -0.772
110 HG3 LYS 14 3HG LYS 14 7.768 11.036 -0.274
111 HD2 LYS 14 2HD LYS 14 9.104 11.750 1.356
112 HD3 LYS 14 3HD LYS 14 8.968 10.154 2.098
113 HE2 LYS 14 2HE LYS 14 10.976 9.429 1.214
114 HE3 LYS 14 3HE LYS 14 10.936 10.599 -0.105
115 HZ1 LYS 14 1HZ LYS 14 12.468 10.877 2.038
116 HZ2 LYS 14 2HZ LYS 14 11.093 11.698 2.582
117 HZ3 LYS 14 3HZ LYS 14 11.867 12.194 1.162
118 H ASN 15 H ASN 15 4.039 8.298 -1.205
119 HA ASN 15 HA ASN 15 3.025 10.823 -1.586
120 HB2 ASN 15 2HB ASN 15 1.978 8.254 -1.487
121 HB3 ASN 15 3HB ASN 15 1.110 9.106 -0.212
122 HD21 ASN 15 1HD2 ASN 15 -0.126 8.134 -2.495
123 HD22 ASN 15 2HD2 ASN 15 -0.690 9.469 -3.436
124 H LYS 16 H LYS 16 3.761 9.214 1.407
125 HA LYS 16 HA LYS 16 2.253 10.505 3.276
126 HB2 LYS 16 2HB LYS 16 4.038 10.140 4.857
127 HB3 LYS 16 3HB LYS 16 3.968 8.771 3.755
128 HG2 LYS 16 2HG LYS 16 5.775 10.227 2.459
129 HG3 LYS 16 3HG LYS 16 6.060 10.836 4.091
130 HD2 LYS 16 2HD LYS 16 5.951 7.896 3.464
131 HD3 LYS 16 3HD LYS 16 7.444 8.831 3.351
132 HE2 LYS 16 2HE LYS 16 7.746 8.516 5.529
133 HE3 LYS 16 3HE LYS 16 6.304 9.484 5.830
134 HZ1 LYS 16 1HZ LYS 16 6.109 7.352 6.900
135 HZ2 LYS 16 2HZ LYS 16 6.390 6.541 5.442
136 HZ3 LYS 16 3HZ LYS 16 4.977 7.448 5.645
137 H SER 17 H SER 17 5.069 11.774 1.572
138 HA SER 17 HA SER 17 5.584 14.071 2.988
139 HB2 SER 17 2HB SER 17 5.552 14.035 -0.028
140 HB3 SER 17 3HB SER 17 6.632 14.928 1.042
141 HG SER 17 HG SER 17 7.832 13.227 0.472
142 H ARG 18 H ARG 18 3.486 13.954 0.102
143 HA ARG 18 HA ARG 18 1.776 15.298 -0.578
144 HB2 ARG 18 2HB ARG 18 0.885 14.089 1.535
145 HB3 ARG 18 3HB ARG 18 1.058 15.655 2.316
146 HG2 ARG 18 2HG ARG 18 -0.330 16.490 0.256
147 HG3 ARG 18 3HG ARG 18 -0.827 14.798 0.183
148 HD2 ARG 18 2HD ARG 18 -2.445 15.815 1.528
149 HD3 ARG 18 3HD ARG 18 -1.354 15.038 2.674
150 HE ARG 18 HE ARG 18 -0.456 17.644 2.311
151 HH11 ARG 18 1HH1 ARG 18 -3.261 16.007 3.565
152 HH12 ARG 18 2HH1 ARG 18 -3.643 17.257 4.702
153 HH21 ARG 18 1HH2 ARG 18 -0.949 19.296 3.804
154 HH22 ARG 18 2HH2 ARG 18 -2.328 19.128 4.836
Start of MODEL 10
1 H1 VAL 1 H VAL 1 2.293 -0.459 1.938
2 HA VAL 1 HA VAL 1 3.867 -2.006 -0.006
3 HB VAL 1 HB VAL 1 1.760 0.074 -0.597
4 HG11 VAL 1 1HG1 VAL 1 3.714 -0.945 -2.227
5 HG12 VAL 1 2HG1 VAL 1 2.334 -1.987 -2.581
6 HG13 VAL 1 3HG1 VAL 1 2.192 -0.239 -2.769
7 HG21 VAL 1 1HG2 VAL 1 0.463 -2.063 -1.291
8 HG22 VAL 1 2HG2 VAL 1 1.562 -2.883 -0.182
9 HG23 VAL 1 3HG2 VAL 1 0.509 -1.598 0.410
10 H ALA 2 H ALA 2 5.855 -1.034 0.707
11 HA ALA 2 HA ALA 2 6.189 1.730 -0.264
12 HB1 ALA 2 1HB ALA 2 8.249 0.936 1.591
13 HB2 ALA 2 2HB ALA 2 7.160 2.323 1.645
14 HB3 ALA 2 3HB ALA 2 6.648 0.774 2.314
15 H ARG 3 H ARG 3 7.592 -1.488 -0.005
16 HA ARG 3 HA ARG 3 10.065 -1.099 -1.160
17 HB2 ARG 3 2HB ARG 3 9.790 -3.472 -2.026
18 HB3 ARG 3 3HB ARG 3 9.579 -3.245 -0.295
19 HG2 ARG 3 2HG ARG 3 7.329 -3.665 -0.371
20 HG3 ARG 3 3HG ARG 3 7.181 -3.153 -2.054
21 HD2 ARG 3 2HD ARG 3 8.937 -5.375 -1.979
22 HD3 ARG 3 3HD ARG 3 7.523 -5.779 -1.007
23 HE ARG 3 HE ARG 3 6.710 -4.632 -3.451
24 HH11 ARG 3 1HH1 ARG 3 8.087 -7.550 -2.144
25 HH12 ARG 3 2HH1 ARG 3 7.439 -8.568 -3.388
26 HH21 ARG 3 1HH2 ARG 3 5.852 -5.961 -5.094
27 HH22 ARG 3 2HH2 ARG 3 6.169 -7.663 -5.066
28 H GLY 4 H GLY 4 6.918 -1.114 -2.664
29 HA2 GLY 4 2HA GLY 4 8.222 -0.737 -5.290
30 HA3 GLY 4 3HA GLY 4 6.641 -1.477 -5.085
31 H TRP 5 H TRP 5 7.106 1.107 -2.970
32 HA TRP 5 HA TRP 5 5.679 2.923 -4.801
33 HB2 TRP 5 2HB TRP 5 4.587 1.840 -2.574
34 HB3 TRP 5 3HB TRP 5 5.305 3.296 -1.889
35 HD1 TRP 5 HD1 TRP 5 2.567 2.157 -4.303
36 HE1 TRP 5 HE1 TRP 5 0.988 4.139 -4.752
37 HE3 TRP 5 HE3 TRP 5 5.211 5.849 -1.955
38 HZ2 TRP 5 HZ2 TRP 5 0.878 6.903 -4.187
39 HZ3 TRP 5 HZ3 TRP 5 4.300 8.135 -1.955
40 HH2 TRP 5 HH2 TRP 5 2.179 8.649 -3.049
41 H GLY 6 H GLY 6 8.466 2.430 -3.019
42 HA2 GLY 6 2HA GLY 6 8.977 5.333 -2.833
43 HA3 GLY 6 3HA GLY 6 9.731 4.131 -1.797
44 H ARG 7 H ARG 7 9.373 3.348 -5.129
45 HA ARG 7 HA ARG 7 12.228 3.938 -5.566
46 HB2 ARG 7 2HB ARG 7 12.108 1.590 -5.410
47 HB3 ARG 7 3HB ARG 7 10.602 1.521 -6.315
48 HG2 ARG 7 2HG ARG 7 12.473 0.697 -7.633
49 HG3 ARG 7 3HG ARG 7 11.778 2.152 -8.350
50 HD2 ARG 7 2HD ARG 7 13.663 3.333 -8.066
51 HD3 ARG 7 3HD ARG 7 13.939 2.678 -6.452
52 HE ARG 7 HE ARG 7 14.498 0.653 -8.270
53 HH11 ARG 7 1HH1 ARG 7 15.715 3.806 -7.433
54 HH12 ARG 7 2HH1 ARG 7 17.341 3.449 -7.913
55 HH21 ARG 7 1HH2 ARG 7 16.635 0.171 -8.905
56 HH22 ARG 7 2HH2 ARG 7 17.864 1.381 -8.750
57 H LYS 8 H LYS 8 9.204 3.224 -7.317
58 HA LYS 8 HA LYS 8 9.901 4.171 -9.807
59 HB2 LYS 8 2HB LYS 8 7.384 3.755 -8.344
60 HB3 LYS 8 3HB LYS 8 7.280 4.935 -9.644
61 HG2 LYS 8 2HG LYS 8 8.510 3.048 -11.005
62 HG3 LYS 8 3HG LYS 8 7.795 2.011 -9.768
63 HD2 LYS 8 2HD LYS 8 5.581 3.001 -10.292
64 HD3 LYS 8 3HD LYS 8 6.335 3.913 -11.602
65 HE2 LYS 8 2HE LYS 8 6.792 1.979 -12.836
66 HE3 LYS 8 3HE LYS 8 6.575 0.927 -11.438
67 HZ1 LYS 8 1HZ LYS 8 4.212 1.433 -11.470
68 HZ2 LYS 8 2HZ LYS 8 4.702 0.776 -12.949
69 HZ3 LYS 8 3HZ LYS 8 4.420 2.439 -12.814
70 H CYS 9 H CYS 9 7.698 6.094 -7.802
71 HA CYS 9 HA CYS 9 8.836 8.522 -8.933
72 HB2 CYS 9 2HB CYS 9 6.337 7.860 -7.421
73 HB3 CYS 9 3HB CYS 9 6.901 9.526 -7.466
74 HG CYS 9 HG CYS 9 4.811 8.744 -9.402
75 HA PRO 10 HA PRO 10 11.398 9.083 -5.341
76 HB2 PRO 10 2HB PRO 10 12.391 11.501 -6.074
77 HB3 PRO 10 3HB PRO 10 12.947 9.980 -6.781
78 HG2 PRO 10 2HG PRO 10 10.985 11.966 -7.862
79 HG3 PRO 10 3HG PRO 10 12.285 11.104 -8.706
80 HD2 PRO 10 2HD PRO 10 9.693 10.334 -8.851
81 HD3 PRO 10 3HD PRO 10 11.038 9.178 -8.923
82 H LEU 11 H LEU 11 9.529 11.861 -6.579
83 HA LEU 11 HA LEU 11 9.340 13.066 -3.982
84 HB2 LEU 11 2HB LEU 11 8.368 13.685 -6.716
85 HB3 LEU 11 3HB LEU 11 7.510 14.417 -5.362
86 HG LEU 11 HG LEU 11 9.936 15.149 -4.646
87 HD11 LEU 11 1HD1 LEU 11 11.471 15.463 -6.381
88 HD12 LEU 11 2HD1 LEU 11 10.272 15.125 -7.627
89 HD13 LEU 11 3HD1 LEU 11 10.880 13.818 -6.612
90 HD21 LEU 11 1HD2 LEU 11 9.319 16.943 -6.746
91 HD22 LEU 11 2HD2 LEU 11 8.961 17.104 -5.026
92 HD23 LEU 11 3HD2 LEU 11 7.795 16.332 -6.102
93 H PHE 12 H PHE 12 6.453 12.938 -5.894
94 HA PHE 12 HA PHE 12 4.686 12.440 -3.886
95 HB2 PHE 12 2HB PHE 12 4.510 11.534 -6.765
96 HB3 PHE 12 3HB PHE 12 3.154 11.515 -5.642
97 HD1 PHE 12 HD1 PHE 12 3.903 13.113 -8.353
98 HD2 PHE 12 HD2 PHE 12 3.573 14.066 -4.217
99 HE1 PHE 12 HE1 PHE 12 3.395 15.449 -8.935
100 HE2 PHE 12 HE2 PHE 12 3.063 16.403 -4.793
101 HZ PHE 12 HZ PHE 12 2.973 17.097 -7.154
102 H GLY 13 H GLY 13 6.571 10.073 -5.682
103 HA2 GLY 13 2HA GLY 13 5.246 7.805 -4.508
104 HA3 GLY 13 3HA GLY 13 6.704 7.771 -5.488
105 H LYS 14 H LYS 14 5.844 9.237 -2.353
106 HA LYS 14 HA LYS 14 8.316 8.086 -1.251
107 HB2 LYS 14 2HB LYS 14 7.812 10.634 -1.233
108 HB3 LYS 14 3HB LYS 14 6.709 10.246 0.080
109 HG2 LYS 14 2HG LYS 14 8.378 9.818 1.544
110 HG3 LYS 14 3HG LYS 14 9.457 9.182 0.300
111 HD2 LYS 14 2HD LYS 14 8.808 12.065 0.150
112 HD3 LYS 14 3HD LYS 14 9.832 11.553 1.493
113 HE2 LYS 14 2HE LYS 14 11.061 10.239 -0.466
114 HE3 LYS 14 3HE LYS 14 10.367 11.545 -1.427
115 HZ1 LYS 14 1HZ LYS 14 11.713 12.323 1.033
116 HZ2 LYS 14 2HZ LYS 14 11.707 13.074 -0.483
117 HZ3 LYS 14 3HZ LYS 14 12.706 11.737 -0.206
118 H ASN 15 H ASN 15 5.140 9.051 0.061
119 HA ASN 15 HA ASN 15 5.065 6.475 1.492
120 HB2 ASN 15 2HB ASN 15 3.535 8.008 3.085
121 HB3 ASN 15 3HB ASN 15 5.272 7.831 3.313
122 HD21 ASN 15 1HD2 ASN 15 5.873 9.755 4.060
123 HD22 ASN 15 2HD2 ASN 15 5.588 11.264 3.268
124 H LYS 16 H LYS 16 2.671 9.072 1.237
125 HA LYS 16 HA LYS 16 0.872 7.176 -0.126
126 HB2 LYS 16 2HB LYS 16 0.204 9.254 1.964
127 HB3 LYS 16 3HB LYS 16 -0.999 8.368 1.036
128 HG2 LYS 16 2HG LYS 16 0.991 6.699 2.406
129 HG3 LYS 16 3HG LYS 16 -0.080 7.622 3.464
130 HD2 LYS 16 2HD LYS 16 -1.922 6.695 1.805
131 HD3 LYS 16 3HD LYS 16 -0.713 5.435 1.548
132 HE2 LYS 16 2HE LYS 16 -0.765 4.773 3.795
133 HE3 LYS 16 3HE LYS 16 -1.555 6.263 4.307
134 HZ1 LYS 16 1HZ LYS 16 -2.819 3.933 3.871
135 HZ2 LYS 16 2HZ LYS 16 -3.060 4.716 2.392
136 HZ3 LYS 16 3HZ LYS 16 -3.567 5.450 3.829
137 H SER 17 H SER 17 1.505 10.633 0.432
138 HA SER 17 HA SER 17 0.374 11.184 -2.231
139 HB2 SER 17 2HB SER 17 0.464 13.634 -1.121
140 HB3 SER 17 3HB SER 17 -0.917 12.553 -0.935
141 HG SER 17 HG SER 17 -0.437 12.283 1.106
142 H ARG 18 H ARG 18 2.568 13.028 -0.132
143 HA ARG 18 HA ARG 18 4.157 13.895 -2.320
144 HB2 ARG 18 2HB ARG 18 4.125 14.265 0.599
145 HB3 ARG 18 3HB ARG 18 5.724 14.354 -0.129
146 HG2 ARG 18 2HG ARG 18 5.227 16.246 -1.325
147 HG3 ARG 18 3HG ARG 18 3.496 15.906 -1.348
148 HD2 ARG 18 2HD ARG 18 4.503 16.269 1.347
149 HD3 ARG 18 3HD ARG 18 4.818 17.674 0.329
150 HE ARG 18 HE ARG 18 2.125 16.709 0.126
151 HH11 ARG 18 1HH1 ARG 18 4.300 18.719 1.956
152 HH12 ARG 18 2HH1 ARG 18 3.043 19.732 2.584
153 HH21 ARG 18 1HH2 ARG 18 0.461 18.036 0.946
154 HH22 ARG 18 2HH2 ARG 18 0.860 19.343 2.010
Start of MODEL 11
1 H1 VAL 1 H VAL 1 2.043 -1.910 0.058
2 HA VAL 1 HA VAL 1 3.085 -2.001 -2.046
3 HB VAL 1 HB VAL 1 1.094 0.094 -2.924
4 HG11 VAL 1 1HG1 VAL 1 1.878 -0.421 -5.175
5 HG12 VAL 1 2HG1 VAL 1 3.206 0.144 -4.160
6 HG13 VAL 1 3HG1 VAL 1 3.038 -1.575 -4.517
7 HG21 VAL 1 1HG2 VAL 1 -0.050 -1.985 -2.445
8 HG22 VAL 1 2HG2 VAL 1 0.037 -1.743 -4.190
9 HG23 VAL 1 3HG2 VAL 1 1.126 -2.885 -3.402
10 H ALA 2 H ALA 2 4.817 -1.157 -0.836
11 HA ALA 2 HA ALA 2 5.200 1.752 -1.131
12 HB1 ALA 2 1HB ALA 2 6.847 0.524 0.922
13 HB2 ALA 2 2HB ALA 2 5.804 1.945 1.006
14 HB3 ALA 2 3HB ALA 2 5.121 0.335 1.235
15 H ARG 3 H ARG 3 6.715 -1.431 -1.207
16 HA ARG 3 HA ARG 3 9.336 -0.752 -1.741
17 HB2 ARG 3 2HB ARG 3 7.795 -3.044 -2.972
18 HB3 ARG 3 3HB ARG 3 9.544 -2.929 -2.828
19 HG2 ARG 3 2HG ARG 3 9.537 -3.589 -0.689
20 HG3 ARG 3 3HG ARG 3 8.098 -2.646 -0.297
21 HD2 ARG 3 2HD ARG 3 7.399 -4.856 -0.043
22 HD3 ARG 3 3HD ARG 3 6.818 -4.413 -1.648
23 HE ARG 3 HE ARG 3 9.338 -5.553 -1.954
24 HH11 ARG 3 1HH1 ARG 3 6.160 -6.487 -0.882
25 HH12 ARG 3 2HH1 ARG 3 6.343 -8.142 -1.360
26 HH21 ARG 3 1HH2 ARG 3 9.590 -7.729 -2.588
27 HH22 ARG 3 2HH2 ARG 3 8.294 -8.848 -2.330
28 H GLY 4 H GLY 4 6.549 -0.603 -3.836
29 HA2 GLY 4 2HA GLY 4 8.305 0.282 -6.042
30 HA3 GLY 4 3HA GLY 4 6.754 -0.508 -6.281
31 H TRP 5 H TRP 5 6.662 1.651 -3.699
32 HA TRP 5 HA TRP 5 5.516 3.744 -5.430
33 HB2 TRP 5 2HB TRP 5 4.049 2.281 -3.738
34 HB3 TRP 5 3HB TRP 5 4.612 3.507 -2.605
35 HD1 TRP 5 HD1 TRP 5 2.294 3.020 -5.580
36 HE1 TRP 5 HE1 TRP 5 0.841 5.126 -5.862
37 HE3 TRP 5 HE3 TRP 5 4.630 6.074 -2.211
38 HZ2 TRP 5 HZ2 TRP 5 0.705 7.737 -4.797
39 HZ3 TRP 5 HZ3 TRP 5 3.777 8.361 -1.903
40 HH2 TRP 5 HH2 TRP 5 1.855 9.173 -3.171
41 H GLY 6 H GLY 6 7.918 2.983 -3.206
42 HA2 GLY 6 2HA GLY 6 8.263 5.827 -2.484
43 HA3 GLY 6 3HA GLY 6 8.830 4.485 -1.501
44 H ARG 7 H ARG 7 9.368 3.660 -4.648
45 HA ARG 7 HA ARG 7 12.090 4.789 -4.599
46 HB2 ARG 7 2HB ARG 7 12.334 2.476 -4.150
47 HB3 ARG 7 3HB ARG 7 11.146 2.035 -5.369
48 HG2 ARG 7 2HG ARG 7 12.631 2.183 -7.072
49 HG3 ARG 7 3HG ARG 7 13.550 3.480 -6.304
50 HD2 ARG 7 2HD ARG 7 15.042 2.008 -5.572
51 HD3 ARG 7 3HD ARG 7 13.778 1.144 -4.698
52 HE ARG 7 HE ARG 7 13.816 0.487 -7.476
53 HH11 ARG 7 1HH1 ARG 7 15.337 -0.159 -4.412
54 HH12 ARG 7 2HH1 ARG 7 15.865 -1.747 -4.862
55 HH21 ARG 7 1HH2 ARG 7 14.506 -1.602 -8.080
56 HH22 ARG 7 2HH2 ARG 7 15.393 -2.566 -6.949
57 H LYS 8 H LYS 8 9.305 3.899 -6.523
58 HA LYS 8 HA LYS 8 10.241 4.256 -9.092
59 HB2 LYS 8 2HB LYS 8 7.623 4.460 -7.757
60 HB3 LYS 8 3HB LYS 8 7.749 5.354 -9.266
61 HG2 LYS 8 2HG LYS 8 8.452 3.312 -10.415
62 HG3 LYS 8 3HG LYS 8 8.312 2.417 -8.899
63 HD2 LYS 8 2HD LYS 8 6.240 1.962 -9.672
64 HD3 LYS 8 3HD LYS 8 5.869 3.556 -9.012
65 HE2 LYS 8 2HE LYS 8 5.457 4.389 -11.038
66 HE3 LYS 8 3HE LYS 8 6.958 3.731 -11.688
67 HZ1 LYS 8 1HZ LYS 8 4.323 2.813 -12.071
68 HZ2 LYS 8 2HZ LYS 8 5.224 1.594 -11.323
69 HZ3 LYS 8 3HZ LYS 8 5.751 2.258 -12.787
70 H CYS 9 H CYS 9 8.245 6.785 -7.606
71 HA CYS 9 HA CYS 9 10.112 8.782 -8.706
72 HB2 CYS 9 2HB CYS 9 7.273 8.436 -9.127
73 HB3 CYS 9 3HB CYS 9 7.606 10.013 -8.421
74 HG CYS 9 HG CYS 9 9.558 9.132 -11.020
75 HA PRO 10 HA PRO 10 10.484 9.979 -4.441
76 HB2 PRO 10 2HB PRO 10 12.095 12.120 -4.879
77 HB3 PRO 10 3HB PRO 10 12.678 10.453 -4.932
78 HG2 PRO 10 2HG PRO 10 11.919 12.266 -7.189
79 HG3 PRO 10 3HG PRO 10 13.305 11.169 -7.053
80 HD2 PRO 10 2HD PRO 10 11.079 10.536 -8.458
81 HD3 PRO 10 3HD PRO 10 12.055 9.316 -7.614
82 H LEU 11 H LEU 11 9.708 12.292 -7.012
83 HA LEU 11 HA LEU 11 8.959 14.528 -5.726
84 HB2 LEU 11 2HB LEU 11 8.430 13.426 -8.202
85 HB3 LEU 11 3HB LEU 11 6.827 13.693 -7.521
86 HG LEU 11 HG LEU 11 8.446 16.034 -7.147
87 HD11 LEU 11 1HD1 LEU 11 8.692 16.650 -9.522
88 HD12 LEU 11 2HD1 LEU 11 8.249 15.004 -9.973
89 HD13 LEU 11 3HD1 LEU 11 9.726 15.299 -9.056
90 HD21 LEU 11 1HD2 LEU 11 5.945 15.415 -8.710
91 HD22 LEU 11 2HD2 LEU 11 6.590 17.040 -8.476
92 HD23 LEU 11 3HD2 LEU 11 6.056 16.095 -7.086
93 H PHE 12 H PHE 12 6.336 12.277 -6.518
94 HA PHE 12 HA PHE 12 5.112 12.929 -3.925
95 HB2 PHE 12 2HB PHE 12 4.022 12.400 -6.636
96 HB3 PHE 12 3HB PHE 12 3.077 11.809 -5.274
97 HD1 PHE 12 HD1 PHE 12 5.141 14.838 -5.105
98 HD2 PHE 12 HD2 PHE 12 1.219 13.269 -5.630
99 HE1 PHE 12 HE1 PHE 12 4.202 17.089 -4.786
100 HE2 PHE 12 HE2 PHE 12 0.274 15.518 -5.312
101 HZ PHE 12 HZ PHE 12 1.765 17.432 -4.890
102 H GLY 13 H GLY 13 6.249 10.339 -5.947
103 HA2 GLY 13 2HA GLY 13 5.000 8.230 -4.451
104 HA3 GLY 13 3HA GLY 13 6.258 8.045 -5.664
105 H LYS 14 H LYS 14 5.987 9.556 -2.443
106 HA LYS 14 HA LYS 14 8.630 8.479 -1.788
107 HB2 LYS 14 2HB LYS 14 7.272 10.915 -1.193
108 HB3 LYS 14 3HB LYS 14 7.583 10.080 0.324
109 HG2 LYS 14 2HG LYS 14 9.830 10.219 -1.587
110 HG3 LYS 14 3HG LYS 14 9.334 11.735 -0.830
111 HD2 LYS 14 2HD LYS 14 10.239 11.152 1.126
112 HD3 LYS 14 3HD LYS 14 9.474 9.562 1.086
113 HE2 LYS 14 2HE LYS 14 11.741 9.057 1.064
114 HE3 LYS 14 3HE LYS 14 11.299 8.977 -0.640
115 HZ1 LYS 14 1HZ LYS 14 12.597 11.281 0.711
116 HZ2 LYS 14 2HZ LYS 14 12.154 11.226 -0.920
117 HZ3 LYS 14 3HZ LYS 14 13.356 10.189 -0.335
118 H ASN 15 H ASN 15 5.675 9.045 0.124
119 HA ASN 15 HA ASN 15 6.010 6.344 1.255
120 HB2 ASN 15 2HB ASN 15 5.435 8.962 2.579
121 HB3 ASN 15 3HB ASN 15 4.743 7.496 3.268
122 HD21 ASN 15 1HD2 ASN 15 6.284 5.722 3.698
123 HD22 ASN 15 2HD2 ASN 15 7.861 6.141 4.266
124 H LYS 16 H LYS 16 3.454 8.785 1.580
125 HA LYS 16 HA LYS 16 1.566 6.837 0.427
126 HB2 LYS 16 2HB LYS 16 1.103 8.815 2.666
127 HB3 LYS 16 3HB LYS 16 -0.156 7.837 1.923
128 HG2 LYS 16 2HG LYS 16 1.776 5.994 2.641
129 HG3 LYS 16 3HG LYS 16 1.761 7.146 3.978
130 HD2 LYS 16 2HD LYS 16 -0.889 6.827 3.592
131 HD3 LYS 16 3HD LYS 16 -0.308 5.239 3.086
132 HE2 LYS 16 2HE LYS 16 1.038 5.266 5.276
133 HE3 LYS 16 3HE LYS 16 -0.027 6.589 5.752
134 HZ1 LYS 16 1HZ LYS 16 -1.392 4.997 6.454
135 HZ2 LYS 16 2HZ LYS 16 -0.558 3.776 5.633
136 HZ3 LYS 16 3HZ LYS 16 -1.733 4.686 4.826
137 H SER 17 H SER 17 2.238 10.282 0.934
138 HA SER 17 HA SER 17 0.671 10.854 -1.496
139 HB2 SER 17 2HB SER 17 0.408 13.184 -0.456
140 HB3 SER 17 3HB SER 17 -0.524 11.876 0.272
141 HG SER 17 HG SER 17 0.678 13.312 1.745
142 H ARG 18 H ARG 18 3.225 12.302 0.534
143 HA ARG 18 HA ARG 18 4.783 12.795 -1.904
144 HB2 ARG 18 2HB ARG 18 3.885 14.803 0.123
145 HB3 ARG 18 3HB ARG 18 5.449 15.015 -0.653
146 HG2 ARG 18 2HG ARG 18 4.505 15.814 -2.491
147 HG3 ARG 18 3HG ARG 18 3.419 14.428 -2.606
148 HD2 ARG 18 2HD ARG 18 2.130 16.464 -2.422
149 HD3 ARG 18 3HD ARG 18 1.926 15.494 -0.964
150 HE ARG 18 HE ARG 18 4.002 17.476 -0.767
151 HH11 ARG 18 1HH1 ARG 18 0.602 16.830 -0.385
152 HH12 ARG 18 2HH1 ARG 18 0.351 18.120 0.743
153 HH21 ARG 18 1HH2 ARG 18 3.683 19.178 0.718
154 HH22 ARG 18 2HH2 ARG 18 2.104 19.456 1.369
Start of MODEL 12
1 H1 VAL 1 H VAL 1 -0.270 -0.894 -2.761
2 HA VAL 1 HA VAL 1 1.302 -1.860 -1.412
3 HB VAL 1 HB VAL 1 3.315 -2.916 -2.410
4 HG11 VAL 1 1HG1 VAL 1 0.881 -3.738 -3.965
5 HG12 VAL 1 2HG1 VAL 1 2.174 -4.751 -3.321
6 HG13 VAL 1 3HG1 VAL 1 1.011 -4.003 -2.227
7 HG21 VAL 1 1HG2 VAL 1 3.776 -1.505 -4.264
8 HG22 VAL 1 2HG2 VAL 1 3.353 -3.085 -4.923
9 HG23 VAL 1 3HG2 VAL 1 2.175 -1.773 -4.952
10 H ALA 2 H ALA 2 3.819 -1.614 -0.937
11 HA ALA 2 HA ALA 2 4.476 1.232 -1.343
12 HB1 ALA 2 1HB ALA 2 4.790 1.513 0.846
13 HB2 ALA 2 2HB ALA 2 3.943 -0.020 1.052
14 HB3 ALA 2 3HB ALA 2 5.705 0.012 0.992
15 H ARG 3 H ARG 3 5.626 -2.057 -1.321
16 HA ARG 3 HA ARG 3 8.399 -1.492 -1.486
17 HB2 ARG 3 2HB ARG 3 7.775 -3.684 -0.821
18 HB3 ARG 3 3HB ARG 3 6.745 -3.898 -2.230
19 HG2 ARG 3 2HG ARG 3 8.835 -5.178 -2.375
20 HG3 ARG 3 3HG ARG 3 8.673 -3.997 -3.676
21 HD2 ARG 3 2HD ARG 3 10.581 -3.025 -3.087
22 HD3 ARG 3 3HD ARG 3 9.989 -2.785 -1.444
23 HE ARG 3 HE ARG 3 10.922 -5.455 -1.970
24 HH11 ARG 3 1HH1 ARG 3 11.821 -2.242 -0.975
25 HH12 ARG 3 2HH1 ARG 3 13.235 -2.762 -0.120
26 HH21 ARG 3 1HH2 ARG 3 12.781 -6.152 -0.847
27 HH22 ARG 3 2HH2 ARG 3 13.780 -4.986 -0.048
28 H GLY 4 H GLY 4 5.820 -1.517 -3.808
29 HA2 GLY 4 2HA GLY 4 7.777 -1.222 -5.996
30 HA3 GLY 4 3HA GLY 4 6.114 -1.751 -6.204
31 H TRP 5 H TRP 5 5.380 0.439 -4.180
32 HA TRP 5 HA TRP 5 5.034 2.510 -6.199
33 HB2 TRP 5 2HB TRP 5 3.203 1.581 -4.595
34 HB3 TRP 5 3HB TRP 5 3.933 2.659 -3.409
35 HD1 TRP 5 HD1 TRP 5 1.727 2.659 -6.489
36 HE1 TRP 5 HE1 TRP 5 0.821 5.036 -6.881
37 HE3 TRP 5 HE3 TRP 5 4.576 5.184 -3.077
38 HZ2 TRP 5 HZ2 TRP 5 1.257 7.638 -5.876
39 HZ3 TRP 5 HZ3 TRP 5 4.270 7.616 -2.855
40 HH2 TRP 5 HH2 TRP 5 2.645 8.815 -4.226
41 H GLY 6 H GLY 6 6.940 1.857 -3.411
42 HA2 GLY 6 2HA GLY 6 7.611 4.667 -2.997
43 HA3 GLY 6 3HA GLY 6 8.161 3.311 -2.024
44 H ARG 7 H ARG 7 8.394 3.040 -5.454
45 HA ARG 7 HA ARG 7 11.289 3.564 -5.284
46 HB2 ARG 7 2HB ARG 7 9.771 1.322 -6.555
47 HB3 ARG 7 3HB ARG 7 11.293 1.837 -7.271
48 HG2 ARG 7 2HG ARG 7 11.561 1.510 -4.422
49 HG3 ARG 7 3HG ARG 7 10.934 0.043 -5.176
50 HD2 ARG 7 2HD ARG 7 13.351 1.526 -6.187
51 HD3 ARG 7 3HD ARG 7 13.442 0.203 -5.025
52 HE ARG 7 HE ARG 7 11.970 -0.649 -7.255
53 HH11 ARG 7 1HH1 ARG 7 15.222 0.230 -6.376
54 HH12 ARG 7 2HH1 ARG 7 15.959 -0.790 -7.567
55 HH21 ARG 7 1HH2 ARG 7 12.929 -1.996 -8.827
56 HH22 ARG 7 2HH2 ARG 7 14.653 -2.055 -8.961
57 H LYS 8 H LYS 8 8.525 3.399 -7.517
58 HA LYS 8 HA LYS 8 9.640 4.578 -9.742
59 HB2 LYS 8 2HB LYS 8 6.911 4.320 -8.648
60 HB3 LYS 8 3HB LYS 8 7.129 5.618 -9.814
61 HG2 LYS 8 2HG LYS 8 8.378 3.570 -11.077
62 HG3 LYS 8 3HG LYS 8 7.106 2.714 -10.203
63 HD2 LYS 8 2HD LYS 8 5.463 4.335 -11.155
64 HD3 LYS 8 3HD LYS 8 6.768 5.002 -12.139
65 HE2 LYS 8 2HE LYS 8 7.113 2.733 -13.102
66 HE3 LYS 8 3HE LYS 8 5.694 2.185 -12.211
67 HZ1 LYS 8 1HZ LYS 8 4.463 4.017 -13.404
68 HZ2 LYS 8 2HZ LYS 8 4.945 2.704 -14.356
69 HZ3 LYS 8 3HZ LYS 8 5.812 4.155 -14.417
70 H CYS 9 H CYS 9 7.415 6.462 -7.719
71 HA CYS 9 HA CYS 9 8.455 8.944 -8.521
72 HB2 CYS 9 2HB CYS 9 6.666 8.059 -6.281
73 HB3 CYS 9 3HB CYS 9 7.227 9.725 -6.353
74 HG CYS 9 HG CYS 9 6.074 8.885 -9.304
75 HA PRO 10 HA PRO 10 12.171 8.943 -6.069
76 HB2 PRO 10 2HB PRO 10 12.983 11.430 -6.794
77 HB3 PRO 10 3HB PRO 10 13.156 10.019 -7.844
78 HG2 PRO 10 2HG PRO 10 11.064 12.160 -7.877
79 HG3 PRO 10 3HG PRO 10 11.921 11.413 -9.237
80 HD2 PRO 10 2HD PRO 10 9.406 10.700 -8.532
81 HD3 PRO 10 3HD PRO 10 10.562 9.551 -9.233
82 H LEU 11 H LEU 11 10.225 11.936 -6.191
83 HA LEU 11 HA LEU 11 10.816 12.373 -3.351
84 HB2 LEU 11 2HB LEU 11 10.423 14.628 -3.670
85 HB3 LEU 11 3HB LEU 11 11.193 14.142 -5.179
86 HG LEU 11 HG LEU 11 8.524 13.857 -5.754
87 HD11 LEU 11 1HD1 LEU 11 8.103 14.994 -3.520
88 HD12 LEU 11 2HD1 LEU 11 7.317 15.694 -4.934
89 HD13 LEU 11 3HD1 LEU 11 8.761 16.452 -4.263
90 HD21 LEU 11 1HD2 LEU 11 8.896 15.522 -7.302
91 HD22 LEU 11 2HD2 LEU 11 10.543 15.010 -6.934
92 HD23 LEU 11 3HD2 LEU 11 9.890 16.475 -6.199
93 H PHE 12 H PHE 12 8.316 11.450 -5.502
94 HA PHE 12 HA PHE 12 6.251 11.949 -3.477
95 HB2 PHE 12 2HB PHE 12 6.283 11.985 -6.365
96 HB3 PHE 12 3HB PHE 12 5.052 10.872 -5.778
97 HD1 PHE 12 HD1 PHE 12 6.187 13.981 -4.127
98 HD2 PHE 12 HD2 PHE 12 3.096 12.044 -6.319
99 HE1 PHE 12 HE1 PHE 12 4.687 15.881 -3.684
100 HE2 PHE 12 HE2 PHE 12 1.591 13.941 -5.880
101 HZ PHE 12 HZ PHE 12 2.387 15.863 -4.562
102 H GLY 13 H GLY 13 8.372 9.604 -4.191
103 HA2 GLY 13 2HA GLY 13 7.023 7.224 -4.505
104 HA3 GLY 13 3HA GLY 13 8.501 7.394 -3.571
105 H LYS 14 H LYS 14 6.987 9.318 -1.763
106 HA LYS 14 HA LYS 14 5.474 7.282 -0.261
107 HB2 LYS 14 2HB LYS 14 6.252 8.621 1.791
108 HB3 LYS 14 3HB LYS 14 7.423 7.570 1.005
109 HG2 LYS 14 2HG LYS 14 7.395 10.301 -0.035
110 HG3 LYS 14 3HG LYS 14 7.840 10.178 1.669
111 HD2 LYS 14 2HD LYS 14 9.361 8.215 0.762
112 HD3 LYS 14 3HD LYS 14 9.227 9.123 -0.745
113 HE2 LYS 14 2HE LYS 14 9.892 11.164 0.662
114 HE3 LYS 14 3HE LYS 14 10.393 9.993 1.881
115 HZ1 LYS 14 1HZ LYS 14 11.379 9.430 -0.768
116 HZ2 LYS 14 2HZ LYS 14 12.198 9.441 0.711
117 HZ3 LYS 14 3HZ LYS 14 11.948 10.889 -0.127
118 H ASN 15 H ASN 15 3.503 8.012 -1.132
119 HA ASN 15 HA ASN 15 2.524 10.532 -1.408
120 HB2 ASN 15 2HB ASN 15 0.288 9.618 -1.076
121 HB3 ASN 15 3HB ASN 15 1.275 8.479 -1.987
122 HD21 ASN 15 1HD2 ASN 15 1.962 6.574 -1.000
123 HD22 ASN 15 2HD2 ASN 15 1.213 5.970 0.436
124 H LYS 16 H LYS 16 2.826 8.709 1.592
125 HA LYS 16 HA LYS 16 1.365 10.124 3.380
126 HB2 LYS 16 2HB LYS 16 4.219 9.225 3.820
127 HB3 LYS 16 3HB LYS 16 3.042 9.568 5.080
128 HG2 LYS 16 2HG LYS 16 1.768 7.708 3.484
129 HG3 LYS 16 3HG LYS 16 3.446 7.161 3.522
130 HD2 LYS 16 2HD LYS 16 3.432 7.172 5.942
131 HD3 LYS 16 3HD LYS 16 1.798 7.840 5.958
132 HE2 LYS 16 2HE LYS 16 1.321 5.685 4.481
133 HE3 LYS 16 3HE LYS 16 2.728 5.084 5.356
134 HZ1 LYS 16 1HZ LYS 16 1.321 4.589 6.981
135 HZ2 LYS 16 2HZ LYS 16 0.054 5.459 6.275
136 HZ3 LYS 16 3HZ LYS 16 1.167 6.248 7.275
137 H SER 17 H SER 17 4.374 11.143 1.880
138 HA SER 17 HA SER 17 5.124 13.277 3.422
139 HB2 SER 17 2HB SER 17 5.970 14.311 1.285
140 HB3 SER 17 3HB SER 17 6.464 12.636 1.533
141 HG SER 17 HG SER 17 4.496 12.155 0.211
142 H ARG 18 H ARG 18 3.042 13.590 0.539
143 HA ARG 18 HA ARG 18 2.057 16.140 1.547
144 HB2 ARG 18 2HB ARG 18 2.708 15.996 -0.808
145 HB3 ARG 18 3HB ARG 18 1.538 14.708 -1.065
146 HG2 ARG 18 2HG ARG 18 -0.225 16.128 -1.117
147 HG3 ARG 18 3HG ARG 18 0.505 17.253 0.030
148 HD2 ARG 18 2HD ARG 18 2.062 17.166 -2.376
149 HD3 ARG 18 3HD ARG 18 0.373 17.478 -2.771
150 HE ARG 18 HE ARG 18 1.207 19.122 -0.624
151 HH11 ARG 18 1HH1 ARG 18 1.524 18.741 -4.070
152 HH12 ARG 18 2HH1 ARG 18 1.805 20.425 -4.362
153 HH21 ARG 18 1HH2 ARG 18 1.576 21.342 -0.996
154 HH22 ARG 18 2HH2 ARG 18 1.835 21.904 -2.612
Start of MODEL 13
1 H1 VAL 1 H VAL 1 5.699 -1.226 -1.487
2 HA VAL 1 HA VAL 1 4.785 0.538 -2.719
3 HB VAL 1 HB VAL 1 3.279 2.181 -1.678
4 HG11 VAL 1 1HG1 VAL 1 2.545 -0.102 -2.610
5 HG12 VAL 1 2HG1 VAL 1 2.272 -0.539 -0.922
6 HG13 VAL 1 3HG1 VAL 1 1.394 0.813 -1.637
7 HG21 VAL 1 1HG2 VAL 1 4.204 0.847 0.765
8 HG22 VAL 1 2HG2 VAL 1 3.602 2.487 0.525
9 HG23 VAL 1 3HG2 VAL 1 2.467 1.149 0.703
10 H ALA 2 H ALA 2 6.805 0.442 -0.103
11 HA ALA 2 HA ALA 2 7.793 3.170 -0.631
12 HB1 ALA 2 1HB ALA 2 8.603 1.983 1.919
13 HB2 ALA 2 2HB ALA 2 8.005 3.603 1.557
14 HB3 ALA 2 3HB ALA 2 6.869 2.272 1.773
15 H ARG 3 H ARG 3 8.616 -0.192 -0.007
16 HA ARG 3 HA ARG 3 11.361 -0.087 0.134
17 HB2 ARG 3 2HB ARG 3 9.729 -2.162 -1.341
18 HB3 ARG 3 3HB ARG 3 11.373 -2.368 -0.750
19 HG2 ARG 3 2HG ARG 3 10.699 -2.795 1.340
20 HG3 ARG 3 3HG ARG 3 9.454 -1.546 1.300
21 HD2 ARG 3 2HD ARG 3 7.850 -2.980 0.606
22 HD3 ARG 3 3HD ARG 3 8.965 -3.904 -0.399
23 HE ARG 3 HE ARG 3 9.623 -4.429 2.246
24 HH11 ARG 3 1HH1 ARG 3 6.919 -4.897 0.105
25 HH12 ARG 3 2HH1 ARG 3 6.363 -6.328 0.909
26 HH21 ARG 3 1HH2 ARG 3 8.902 -6.311 3.313
27 HH22 ARG 3 2HH2 ARG 3 7.491 -7.131 2.734
28 H GLY 4 H GLY 4 9.303 0.375 -2.644
29 HA2 GLY 4 2HA GLY 4 11.699 0.594 -4.355
30 HA3 GLY 4 3HA GLY 4 10.088 0.211 -4.945
31 H TRP 5 H TRP 5 11.541 2.777 -2.935
32 HA TRP 5 HA TRP 5 9.790 4.805 -3.538
33 HB2 TRP 5 2HB TRP 5 11.457 5.130 -1.845
34 HB3 TRP 5 3HB TRP 5 12.762 4.932 -3.011
35 HD1 TRP 5 HD1 TRP 5 13.901 7.222 -3.174
36 HE1 TRP 5 HE1 TRP 5 13.115 9.645 -3.539
37 HE3 TRP 5 HE3 TRP 5 8.847 6.467 -3.022
38 HZ2 TRP 5 HZ2 TRP 5 10.675 11.051 -3.735
39 HZ3 TRP 5 HZ3 TRP 5 7.356 8.404 -3.306
40 HH2 TRP 5 HH2 TRP 5 8.253 10.648 -3.654
41 H GLY 6 H GLY 6 13.033 4.823 -4.998
42 HA2 GLY 6 2HA GLY 6 12.292 6.453 -7.161
43 HA3 GLY 6 3HA GLY 6 13.746 5.469 -7.081
44 H ARG 7 H ARG 7 11.824 3.094 -6.661
45 HA ARG 7 HA ARG 7 11.949 1.986 -9.166
46 HB2 ARG 7 2HB ARG 7 11.067 1.120 -6.760
47 HB3 ARG 7 3HB ARG 7 9.536 1.274 -7.611
48 HG2 ARG 7 2HG ARG 7 9.911 -0.748 -8.436
49 HG3 ARG 7 3HG ARG 7 11.190 -0.027 -9.415
50 HD2 ARG 7 2HD ARG 7 12.596 -1.401 -8.366
51 HD3 ARG 7 3HD ARG 7 12.374 -0.383 -6.943
52 HE ARG 7 HE ARG 7 10.293 -2.172 -6.889
53 HH11 ARG 7 1HH1 ARG 7 13.769 -2.369 -6.920
54 HH12 ARG 7 2HH1 ARG 7 13.823 -3.850 -6.023
55 HH21 ARG 7 1HH2 ARG 7 10.352 -4.122 -5.707
56 HH22 ARG 7 2HH2 ARG 7 11.879 -4.847 -5.334
57 H LYS 8 H LYS 8 8.907 3.217 -7.763
58 HA LYS 8 HA LYS 8 8.031 3.878 -10.497
59 HB2 LYS 8 2HB LYS 8 6.765 2.396 -8.419
60 HB3 LYS 8 3HB LYS 8 5.838 3.868 -8.673
61 HG2 LYS 8 2HG LYS 8 5.520 3.350 -10.984
62 HG3 LYS 8 3HG LYS 8 6.627 1.979 -10.879
63 HD2 LYS 8 2HD LYS 8 4.408 1.909 -8.959
64 HD3 LYS 8 3HD LYS 8 3.917 1.814 -10.652
65 HE2 LYS 8 2HE LYS 8 5.899 0.058 -10.740
66 HE3 LYS 8 3HE LYS 8 5.527 -0.081 -9.023
67 HZ1 LYS 8 1HZ LYS 8 4.260 -1.691 -10.224
68 HZ2 LYS 8 2HZ LYS 8 3.659 -0.521 -11.287
69 HZ3 LYS 8 3HZ LYS 8 3.192 -0.505 -9.661
70 H CYS 9 H CYS 9 7.601 4.930 -7.116
71 HA CYS 9 HA CYS 9 6.579 7.478 -7.764
72 HB2 CYS 9 2HB CYS 9 7.991 6.558 -5.252
73 HB3 CYS 9 3HB CYS 9 7.060 8.042 -5.407
74 HG CYS 9 HG CYS 9 5.696 4.937 -5.846
75 HA PRO 10 HA PRO 10 10.363 9.356 -9.153
76 HB2 PRO 10 2HB PRO 10 9.336 11.845 -9.505
77 HB3 PRO 10 3HB PRO 10 9.054 10.520 -10.640
78 HG2 PRO 10 2HG PRO 10 7.280 11.561 -8.465
79 HG3 PRO 10 3HG PRO 10 6.858 11.083 -10.120
80 HD2 PRO 10 2HD PRO 10 6.436 9.471 -7.985
81 HD3 PRO 10 3HD PRO 10 6.827 8.838 -9.597
82 H LEU 11 H LEU 11 8.671 11.993 -7.567
83 HA LEU 11 HA LEU 11 10.738 12.018 -5.469
84 HB2 LEU 11 2HB LEU 11 11.052 14.302 -5.669
85 HB3 LEU 11 3HB LEU 11 10.922 13.764 -7.343
86 HG LEU 11 HG LEU 11 8.376 14.432 -6.950
87 HD11 LEU 11 1HD1 LEU 11 9.362 15.178 -4.540
88 HD12 LEU 11 2HD1 LEU 11 7.939 15.889 -5.300
89 HD13 LEU 11 3HD1 LEU 11 9.505 16.685 -5.445
90 HD21 LEU 11 1HD2 LEU 11 9.410 16.888 -7.540
91 HD22 LEU 11 2HD2 LEU 11 9.166 15.583 -8.701
92 HD23 LEU 11 3HD2 LEU 11 10.748 15.818 -7.956
93 H PHE 12 H PHE 12 7.424 12.703 -6.379
94 HA PHE 12 HA PHE 12 6.739 12.871 -3.518
95 HB2 PHE 12 2HB PHE 12 6.168 14.726 -5.652
96 HB3 PHE 12 3HB PHE 12 4.669 14.101 -4.974
97 HD1 PHE 12 HD1 PHE 12 7.878 14.705 -3.221
98 HD2 PHE 12 HD2 PHE 12 3.843 15.933 -3.791
99 HE1 PHE 12 HE1 PHE 12 8.089 16.265 -1.330
100 HE2 PHE 12 HE2 PHE 12 4.048 17.496 -1.902
101 HZ PHE 12 HZ PHE 12 6.173 17.664 -0.669
102 H GLY 13 H GLY 13 6.611 10.928 -6.107
103 HA2 GLY 13 2HA GLY 13 4.258 9.983 -6.796
104 HA3 GLY 13 3HA GLY 13 5.475 8.871 -6.186
105 H LYS 14 H LYS 14 5.540 8.792 -3.692
106 HA LYS 14 HA LYS 14 2.769 8.747 -2.689
107 HB2 LYS 14 2HB LYS 14 4.913 6.696 -2.609
108 HB3 LYS 14 3HB LYS 14 3.925 6.862 -1.163
109 HG2 LYS 14 2HG LYS 14 2.710 6.527 -3.885
110 HG3 LYS 14 3HG LYS 14 3.195 5.149 -2.893
111 HD2 LYS 14 2HD LYS 14 1.554 7.191 -1.539
112 HD3 LYS 14 3HD LYS 14 0.743 6.279 -2.813
113 HE2 LYS 14 2HE LYS 14 2.307 4.534 -1.134
114 HE3 LYS 14 3HE LYS 14 1.181 5.486 -0.168
115 HZ1 LYS 14 1HZ LYS 14 0.101 3.488 -0.842
116 HZ2 LYS 14 2HZ LYS 14 0.517 3.727 -2.464
117 HZ3 LYS 14 3HZ LYS 14 -0.594 4.760 -1.714
118 H ASN 15 H ASN 15 6.097 9.530 -2.084
119 HA ASN 15 HA ASN 15 5.915 9.974 0.704
120 HB2 ASN 15 2HB ASN 15 7.930 10.069 -1.232
121 HB3 ASN 15 3HB ASN 15 7.834 11.712 -0.605
122 HD21 ASN 15 1HD2 ASN 15 9.588 9.125 -0.290
123 HD22 ASN 15 2HD2 ASN 15 9.928 9.126 1.404
124 H LYS 16 H LYS 16 4.585 11.635 -1.903
125 HA LYS 16 HA LYS 16 4.735 14.303 -1.341
126 HB2 LYS 16 2HB LYS 16 3.513 13.613 -3.257
127 HB3 LYS 16 3HB LYS 16 2.399 12.653 -2.293
128 HG2 LYS 16 2HG LYS 16 2.319 15.389 -1.441
129 HG3 LYS 16 3HG LYS 16 2.068 15.284 -3.185
130 HD2 LYS 16 2HD LYS 16 0.599 13.245 -1.722
131 HD3 LYS 16 3HD LYS 16 0.157 14.881 -1.228
132 HE2 LYS 16 2HE LYS 16 0.240 13.923 -4.086
133 HE3 LYS 16 3HE LYS 16 -1.218 13.978 -3.097
134 HZ1 LYS 16 1HZ LYS 16 -0.106 16.478 -2.881
135 HZ2 LYS 16 2HZ LYS 16 -1.460 16.053 -3.801
136 HZ3 LYS 16 3HZ LYS 16 0.073 16.079 -4.515
137 H SER 17 H SER 17 1.797 12.579 -0.355
138 HA SER 17 HA SER 17 1.928 14.002 2.224
139 HB2 SER 17 2HB SER 17 0.183 14.952 0.768
140 HB3 SER 17 3HB SER 17 -0.549 13.356 0.604
141 HG SER 17 HG SER 17 -1.662 14.280 2.227
142 H ARG 18 H ARG 18 2.682 11.209 1.273
143 HA ARG 18 HA ARG 18 1.329 9.803 3.458
144 HB2 ARG 18 2HB ARG 18 1.273 9.089 0.579
145 HB3 ARG 18 3HB ARG 18 1.529 7.768 1.711
146 HG2 ARG 18 2HG ARG 18 -0.748 9.710 1.968
147 HG3 ARG 18 3HG ARG 18 -0.856 8.215 1.037
148 HD2 ARG 18 2HD ARG 18 -1.499 7.261 2.953
149 HD3 ARG 18 3HD ARG 18 0.198 7.365 3.423
150 HE ARG 18 HE ARG 18 -0.833 9.776 4.145
151 HH11 ARG 18 1HH1 ARG 18 -1.687 6.467 4.807
152 HH12 ARG 18 2HH1 ARG 18 -2.350 6.814 6.369
153 HH21 ARG 18 1HH2 ARG 18 -1.703 10.246 6.200
154 HH22 ARG 18 2HH2 ARG 18 -2.359 8.964 7.161
Start of MODEL 14
1 H1 VAL 1 H VAL 1 0.662 1.145 0.152
2 HA VAL 1 HA VAL 1 2.911 0.141 0.070
3 HB VAL 1 HB VAL 1 1.244 -0.719 -1.528
4 HG11 VAL 1 1HG1 VAL 1 2.433 1.096 -3.602
5 HG12 VAL 1 2HG1 VAL 1 0.968 0.118 -3.699
6 HG13 VAL 1 3HG1 VAL 1 1.004 1.553 -2.674
7 HG21 VAL 1 1HG2 VAL 1 2.755 -1.907 -2.842
8 HG22 VAL 1 2HG2 VAL 1 3.859 -0.539 -2.982
9 HG23 VAL 1 3HG2 VAL 1 3.725 -1.411 -1.455
10 H ALA 2 H ALA 2 5.029 0.463 -0.315
11 HA ALA 2 HA ALA 2 5.780 2.848 -1.878
12 HB1 ALA 2 1HB ALA 2 6.955 3.634 -0.166
13 HB2 ALA 2 2HB ALA 2 6.242 2.367 0.833
14 HB3 ALA 2 3HB ALA 2 7.793 2.095 0.038
15 H ARG 3 H ARG 3 6.625 -0.446 -0.956
16 HA ARG 3 HA ARG 3 9.036 -0.751 -2.275
17 HB2 ARG 3 2HB ARG 3 8.511 -3.146 -2.383
18 HB3 ARG 3 3HB ARG 3 8.098 -2.468 -0.814
19 HG2 ARG 3 2HG ARG 3 5.755 -2.393 -1.433
20 HG3 ARG 3 3HG ARG 3 6.145 -3.001 -3.043
21 HD2 ARG 3 2HD ARG 3 6.525 -5.125 -2.301
22 HD3 ARG 3 3HD ARG 3 7.061 -4.588 -0.709
23 HE ARG 3 HE ARG 3 4.893 -4.707 0.032
24 HH11 ARG 3 1HH1 ARG 3 4.944 -4.897 -3.444
25 HH12 ARG 3 2HH1 ARG 3 3.267 -5.313 -3.576
26 HH21 ARG 3 1HH2 ARG 3 2.684 -5.255 -0.129
27 HH22 ARG 3 2HH2 ARG 3 1.983 -5.516 -1.690
28 H GLY 4 H GLY 4 5.809 -0.563 -3.576
29 HA2 GLY 4 2HA GLY 4 6.917 -1.041 -6.275
30 HA3 GLY 4 3HA GLY 4 5.266 -1.433 -5.819
31 H TRP 5 H TRP 5 6.107 1.415 -4.337
32 HA TRP 5 HA TRP 5 4.986 3.005 -6.552
33 HB2 TRP 5 2HB TRP 5 3.668 2.559 -4.265
34 HB3 TRP 5 3HB TRP 5 4.634 3.938 -3.750
35 HD1 TRP 5 HD1 TRP 5 1.699 3.002 -5.968
36 HE1 TRP 5 HE1 TRP 5 0.585 5.152 -6.839
37 HE3 TRP 5 HE3 TRP 5 5.173 6.410 -4.401
38 HZ2 TRP 5 HZ2 TRP 5 1.109 7.926 -6.860
39 HZ3 TRP 5 HZ3 TRP 5 4.792 8.792 -4.887
40 HH2 TRP 5 HH2 TRP 5 2.801 9.532 -6.092
41 H GLY 6 H GLY 6 6.709 3.510 -3.460
42 HA2 GLY 6 2HA GLY 6 7.872 5.944 -4.056
43 HA3 GLY 6 3HA GLY 6 8.575 4.756 -2.969
44 H ARG 7 H ARG 7 8.999 2.713 -4.920
45 HA ARG 7 HA ARG 7 11.561 3.323 -5.786
46 HB2 ARG 7 2HB ARG 7 10.334 1.041 -5.609
47 HB3 ARG 7 3HB ARG 7 9.841 1.359 -7.267
48 HG2 ARG 7 2HG ARG 7 12.096 1.380 -8.020
49 HG3 ARG 7 3HG ARG 7 12.709 1.357 -6.365
50 HD2 ARG 7 2HD ARG 7 12.744 -0.861 -6.440
51 HD3 ARG 7 3HD ARG 7 10.991 -0.860 -6.628
52 HE ARG 7 HE ARG 7 11.267 -1.385 -8.837
53 HH11 ARG 7 1HH1 ARG 7 14.285 -0.207 -7.564
54 HH12 ARG 7 2HH1 ARG 7 15.188 -0.596 -8.991
55 HH21 ARG 7 1HH2 ARG 7 12.445 -1.903 -10.720
56 HH22 ARG 7 2HH2 ARG 7 14.140 -1.561 -10.785
57 H LYS 8 H LYS 8 8.531 3.363 -7.645
58 HA LYS 8 HA LYS 8 9.816 4.376 -10.007
59 HB2 LYS 8 2HB LYS 8 6.997 3.768 -9.207
60 HB3 LYS 8 3HB LYS 8 7.288 4.767 -10.624
61 HG2 LYS 8 2HG LYS 8 8.971 2.467 -10.750
62 HG3 LYS 8 3HG LYS 8 7.310 1.959 -10.436
63 HD2 LYS 8 2HD LYS 8 7.286 2.054 -12.727
64 HD3 LYS 8 3HD LYS 8 6.769 3.696 -12.339
65 HE2 LYS 8 2HE LYS 8 8.504 4.506 -13.462
66 HE3 LYS 8 3HE LYS 8 9.604 3.663 -12.373
67 HZ1 LYS 8 1HZ LYS 8 8.823 1.681 -13.994
68 HZ2 LYS 8 2HZ LYS 8 10.219 2.606 -14.233
69 HZ3 LYS 8 3HZ LYS 8 8.798 2.989 -15.067
70 H CYS 9 H CYS 9 7.556 5.722 -7.609
71 HA CYS 9 HA CYS 9 8.324 8.413 -8.526
72 HB2 CYS 9 2HB CYS 9 5.749 7.260 -7.594
73 HB3 CYS 9 3HB CYS 9 6.100 8.916 -7.115
74 HG CYS 9 HG CYS 9 6.748 9.363 -10.039
75 HA PRO 10 HA PRO 10 10.108 7.884 -4.283
76 HB2 PRO 10 2HB PRO 10 12.464 9.095 -4.876
77 HB3 PRO 10 3HB PRO 10 12.173 7.374 -5.152
78 HG2 PRO 10 2HG PRO 10 12.063 9.649 -7.094
79 HG3 PRO 10 3HG PRO 10 12.766 8.034 -7.301
80 HD2 PRO 10 2HD PRO 10 10.337 8.703 -8.292
81 HD3 PRO 10 3HD PRO 10 10.722 7.062 -7.735
82 H LEU 11 H LEU 11 10.628 10.705 -6.411
83 HA LEU 11 HA LEU 11 10.753 12.609 -4.351
84 HB2 LEU 11 2HB LEU 11 10.802 14.208 -6.004
85 HB3 LEU 11 3HB LEU 11 11.387 12.780 -6.855
86 HG LEU 11 HG LEU 11 8.803 12.579 -7.473
87 HD11 LEU 11 1HD1 LEU 11 7.573 14.440 -7.323
88 HD12 LEU 11 2HD1 LEU 11 8.918 15.483 -7.783
89 HD13 LEU 11 3HD1 LEU 11 8.752 14.944 -6.112
90 HD21 LEU 11 1HD2 LEU 11 10.444 12.598 -9.160
91 HD22 LEU 11 2HD2 LEU 11 10.938 14.247 -8.777
92 HD23 LEU 11 3HD2 LEU 11 9.373 13.948 -9.535
93 H PHE 12 H PHE 12 8.112 10.899 -5.654
94 HA PHE 12 HA PHE 12 6.217 12.804 -4.446
95 HB2 PHE 12 2HB PHE 12 6.206 11.477 -6.985
96 HB3 PHE 12 3HB PHE 12 4.823 10.924 -6.047
97 HD1 PHE 12 HD1 PHE 12 5.242 12.845 -8.600
98 HD2 PHE 12 HD2 PHE 12 4.214 13.382 -4.505
99 HE1 PHE 12 HE1 PHE 12 4.032 14.908 -9.177
100 HE2 PHE 12 HE2 PHE 12 3.001 15.445 -5.076
101 HZ PHE 12 HZ PHE 12 2.908 16.211 -7.415
102 H GLY 13 H GLY 13 7.808 10.109 -3.688
103 HA2 GLY 13 2HA GLY 13 5.936 8.202 -2.913
104 HA3 GLY 13 3HA GLY 13 7.487 8.458 -2.127
105 H LYS 14 H LYS 14 4.112 9.479 -2.177
106 HA LYS 14 HA LYS 14 3.944 11.249 -0.133
107 HB2 LYS 14 2HB LYS 14 2.160 9.333 -1.352
108 HB3 LYS 14 3HB LYS 14 1.830 9.468 0.370
109 HG2 LYS 14 2HG LYS 14 1.562 11.876 0.145
110 HG3 LYS 14 3HG LYS 14 1.930 11.763 -1.578
111 HD2 LYS 14 2HD LYS 14 -0.064 9.980 -1.441
112 HD3 LYS 14 3HD LYS 14 -0.531 11.031 -0.102
113 HE2 LYS 14 2HE LYS 14 -0.034 12.919 -1.884
114 HE3 LYS 14 3HE LYS 14 -0.371 11.611 -3.016
115 HZ1 LYS 14 1HZ LYS 14 -2.300 13.080 -2.246
116 HZ2 LYS 14 2HZ LYS 14 -2.227 12.204 -0.801
117 HZ3 LYS 14 3HZ LYS 14 -2.536 11.404 -2.259
118 H ASN 15 H ASN 15 4.531 7.803 0.139
119 HA ASN 15 HA ASN 15 4.040 7.235 2.746
120 HB2 ASN 15 2HB ASN 15 5.512 6.047 0.719
121 HB3 ASN 15 3HB ASN 15 6.699 6.294 1.997
122 HD21 ASN 15 1HD2 ASN 15 3.814 4.642 1.042
123 HD22 ASN 15 2HD2 ASN 15 3.767 3.526 2.360
124 H LYS 16 H LYS 16 6.704 9.153 1.485
125 HA LYS 16 HA LYS 16 7.448 9.827 4.257
126 HB2 LYS 16 2HB LYS 16 9.241 9.771 1.823
127 HB3 LYS 16 3HB LYS 16 9.731 10.239 3.446
128 HG2 LYS 16 2HG LYS 16 8.555 7.537 2.945
129 HG3 LYS 16 3HG LYS 16 10.256 7.857 2.597
130 HD2 LYS 16 2HD LYS 16 9.326 8.795 5.224
131 HD3 LYS 16 3HD LYS 16 9.304 7.043 5.006
132 HE2 LYS 16 2HE LYS 16 11.738 8.312 4.013
133 HE3 LYS 16 3HE LYS 16 11.483 8.545 5.741
134 HZ1 LYS 16 1HZ LYS 16 11.905 6.408 6.163
135 HZ2 LYS 16 2HZ LYS 16 12.605 6.365 4.624
136 HZ3 LYS 16 3HZ LYS 16 11.008 5.850 4.841
137 H SER 17 H SER 17 6.910 10.990 0.991
138 HA SER 17 HA SER 17 7.693 13.627 1.205
139 HB2 SER 17 2HB SER 17 5.141 12.883 -0.206
140 HB3 SER 17 3HB SER 17 6.359 14.069 -0.677
141 HG SER 17 HG SER 17 6.949 12.456 -1.926
142 H ARG 18 H ARG 18 4.589 12.183 2.138
143 HA ARG 18 HA ARG 18 4.072 14.575 3.775
144 HB2 ARG 18 2HB ARG 18 2.349 13.253 1.763
145 HB3 ARG 18 3HB ARG 18 1.560 13.726 3.262
146 HG2 ARG 18 2HG ARG 18 3.244 15.655 1.706
147 HG3 ARG 18 3HG ARG 18 1.544 15.382 1.318
148 HD2 ARG 18 2HD ARG 18 2.354 15.992 4.129
149 HD3 ARG 18 3HD ARG 18 2.221 17.298 2.952
150 HE ARG 18 HE ARG 18 -0.107 15.706 2.886
151 HH11 ARG 18 1HH1 ARG 18 1.526 18.053 4.873
152 HH12 ARG 18 2HH1 ARG 18 0.068 18.648 5.596
153 HH21 ARG 18 1HH2 ARG 18 -2.033 16.481 3.831
154 HH22 ARG 18 2HH2 ARG 18 -1.955 17.752 5.003
Start of MODEL 15
1 H1 VAL 1 H VAL 1 -0.354 0.818 -1.383
2 HA VAL 1 HA VAL 1 1.278 -0.947 -1.325
3 HB VAL 1 HB VAL 1 2.337 -1.731 -3.371
4 HG11 VAL 1 1HG1 VAL 1 0.707 -3.223 -3.620
5 HG12 VAL 1 2HG1 VAL 1 -0.308 -2.192 -2.610
6 HG13 VAL 1 3HG1 VAL 1 -0.352 -2.027 -4.366
7 HG21 VAL 1 1HG2 VAL 1 0.577 0.312 -4.711
8 HG22 VAL 1 2HG2 VAL 1 2.338 0.223 -4.732
9 HG23 VAL 1 3HG2 VAL 1 1.383 -0.997 -5.576
10 H ALA 2 H ALA 2 3.482 -0.598 -1.068
11 HA ALA 2 HA ALA 2 4.445 2.062 -1.901
12 HB1 ALA 2 1HB ALA 2 5.056 2.564 0.185
13 HB2 ALA 2 2HB ALA 2 4.027 1.221 0.684
14 HB3 ALA 2 3HB ALA 2 5.757 0.968 0.455
15 H ARG 3 H ARG 3 5.275 -1.306 -1.288
16 HA ARG 3 HA ARG 3 7.993 -1.282 -1.765
17 HB2 ARG 3 2HB ARG 3 7.694 -3.632 -2.565
18 HB3 ARG 3 3HB ARG 3 6.917 -3.294 -1.025
19 HG2 ARG 3 2HG ARG 3 4.961 -2.759 -2.921
20 HG3 ARG 3 3HG ARG 3 5.771 -4.214 -3.506
21 HD2 ARG 3 2HD ARG 3 5.532 -5.038 -1.066
22 HD3 ARG 3 3HD ARG 3 4.322 -3.764 -0.923
23 HE ARG 3 HE ARG 3 2.889 -5.041 -2.166
24 HH11 ARG 3 1HH1 ARG 3 6.126 -6.258 -2.561
25 HH12 ARG 3 2HH1 ARG 3 5.630 -7.663 -3.446
26 HH21 ARG 3 1HH2 ARG 3 2.223 -6.886 -3.330
27 HH22 ARG 3 2HH2 ARG 3 3.409 -8.018 -3.883
28 H GLY 4 H GLY 4 5.359 -0.954 -4.026
29 HA2 GLY 4 2HA GLY 4 7.319 -0.882 -6.237
30 HA3 GLY 4 3HA GLY 4 5.643 -1.372 -6.432
31 H TRP 5 H TRP 5 5.982 1.218 -4.291
32 HA TRP 5 HA TRP 5 5.278 3.118 -6.432
33 HB2 TRP 5 2HB TRP 5 3.584 2.376 -4.507
34 HB3 TRP 5 3HB TRP 5 4.432 3.642 -3.625
35 HD1 TRP 5 HD1 TRP 5 1.944 3.111 -6.441
36 HE1 TRP 5 HE1 TRP 5 0.987 5.390 -7.159
37 HE3 TRP 5 HE3 TRP 5 5.064 6.172 -3.790
38 HZ2 TRP 5 HZ2 TRP 5 1.489 8.124 -6.667
39 HZ3 TRP 5 HZ3 TRP 5 4.759 8.607 -3.969
40 HH2 TRP 5 HH2 TRP 5 3.009 9.561 -5.379
41 H GLY 6 H GLY 6 7.259 2.471 -3.664
42 HA2 GLY 6 2HA GLY 6 8.167 5.179 -3.318
43 HA3 GLY 6 3HA GLY 6 8.842 3.746 -2.558
44 H ARG 7 H ARG 7 9.151 2.447 -5.233
45 HA ARG 7 HA ARG 7 11.746 3.606 -5.831
46 HB2 ARG 7 2HB ARG 7 11.736 1.231 -5.621
47 HB3 ARG 7 3HB ARG 7 10.364 1.075 -6.709
48 HG2 ARG 7 2HG ARG 7 11.683 0.971 -8.489
49 HG3 ARG 7 3HG ARG 7 12.573 2.413 -7.997
50 HD2 ARG 7 2HD ARG 7 13.169 0.045 -6.388
51 HD3 ARG 7 3HD ARG 7 13.588 -0.128 -8.092
52 HE ARG 7 HE ARG 7 14.930 1.473 -6.158
53 HH11 ARG 7 1HH1 ARG 7 14.069 1.305 -9.528
54 HH12 ARG 7 2HH1 ARG 7 15.405 2.276 -10.052
55 HH21 ARG 7 1HH2 ARG 7 16.693 2.752 -6.836
56 HH22 ARG 7 2HH2 ARG 7 16.897 3.097 -8.520
57 H LYS 8 H LYS 8 8.608 3.173 -7.339
58 HA LYS 8 HA LYS 8 9.443 4.070 -9.929
59 HB2 LYS 8 2HB LYS 8 7.246 2.736 -8.967
60 HB3 LYS 8 3HB LYS 8 6.593 4.339 -9.277
61 HG2 LYS 8 2HG LYS 8 7.075 4.224 -11.559
62 HG3 LYS 8 3HG LYS 8 8.198 2.878 -11.344
63 HD2 LYS 8 2HD LYS 8 5.639 2.112 -10.342
64 HD3 LYS 8 3HD LYS 8 5.436 2.782 -11.962
65 HE2 LYS 8 2HE LYS 8 6.545 1.078 -12.945
66 HE3 LYS 8 3HE LYS 8 7.703 0.932 -11.624
67 HZ1 LYS 8 1HZ LYS 8 5.544 0.049 -10.405
68 HZ2 LYS 8 2HZ LYS 8 6.552 -0.972 -11.301
69 HZ3 LYS 8 3HZ LYS 8 5.124 -0.380 -11.987
70 H CYS 9 H CYS 9 7.582 5.531 -7.271
71 HA CYS 9 HA CYS 9 8.136 8.170 -8.461
72 HB2 CYS 9 2HB CYS 9 5.699 7.034 -7.203
73 HB3 CYS 9 3HB CYS 9 6.064 8.717 -6.840
74 HG CYS 9 HG CYS 9 4.192 8.062 -9.090
75 HA PRO 10 HA PRO 10 10.347 7.901 -4.386
76 HB2 PRO 10 2HB PRO 10 12.653 9.008 -5.298
77 HB3 PRO 10 3HB PRO 10 12.309 7.277 -5.406
78 HG2 PRO 10 2HG PRO 10 12.045 9.396 -7.505
79 HG3 PRO 10 3HG PRO 10 12.700 7.754 -7.648
80 HD2 PRO 10 2HD PRO 10 10.195 8.399 -8.451
81 HD3 PRO 10 3HD PRO 10 10.608 6.798 -7.805
82 H LEU 11 H LEU 11 10.701 10.535 -6.772
83 HA LEU 11 HA LEU 11 11.050 12.589 -4.887
84 HB2 LEU 11 2HB LEU 11 10.983 14.052 -6.659
85 HB3 LEU 11 3HB LEU 11 11.453 12.547 -7.447
86 HG LEU 11 HG LEU 11 8.818 12.377 -7.807
87 HD11 LEU 11 1HD1 LEU 11 7.650 14.281 -7.693
88 HD12 LEU 11 2HD1 LEU 11 8.973 15.248 -8.344
89 HD13 LEU 11 3HD1 LEU 11 8.944 14.833 -6.630
90 HD21 LEU 11 1HD2 LEU 11 10.269 12.218 -9.643
91 HD22 LEU 11 2HD2 LEU 11 10.872 13.860 -9.421
92 HD23 LEU 11 3HD2 LEU 11 9.230 13.595 -10.009
93 H PHE 12 H PHE 12 8.275 10.843 -5.801
94 HA PHE 12 HA PHE 12 6.529 12.880 -4.585
95 HB2 PHE 12 2HB PHE 12 6.266 11.369 -7.005
96 HB3 PHE 12 3HB PHE 12 4.965 10.919 -5.907
97 HD1 PHE 12 HD1 PHE 12 5.172 12.630 -8.626
98 HD2 PHE 12 HD2 PHE 12 4.546 13.503 -4.507
99 HE1 PHE 12 HE1 PHE 12 3.948 14.672 -9.248
100 HE2 PHE 12 HE2 PHE 12 3.320 15.545 -5.123
101 HZ PHE 12 HZ PHE 12 3.019 16.132 -7.496
102 H GLY 13 H GLY 13 8.140 10.224 -3.756
103 HA2 GLY 13 2HA GLY 13 6.312 8.422 -2.676
104 HA3 GLY 13 3HA GLY 13 7.932 8.700 -2.053
105 H LYS 14 H LYS 14 4.583 9.795 -1.883
106 HA LYS 14 HA LYS 14 4.633 11.718 0.026
107 HB2 LYS 14 2HB LYS 14 2.710 9.783 -0.899
108 HB3 LYS 14 3HB LYS 14 2.543 10.008 0.838
109 HG2 LYS 14 2HG LYS 14 2.619 12.546 0.220
110 HG3 LYS 14 3HG LYS 14 2.139 11.960 -1.375
111 HD2 LYS 14 2HD LYS 14 0.378 10.600 0.070
112 HD3 LYS 14 3HD LYS 14 0.646 11.932 1.196
113 HE2 LYS 14 2HE LYS 14 0.360 13.115 -1.325
114 HE3 LYS 14 3HE LYS 14 -0.886 11.871 -1.242
115 HZ1 LYS 14 1HZ LYS 14 -0.470 13.836 0.931
116 HZ2 LYS 14 2HZ LYS 14 -1.811 12.842 0.666
117 HZ3 LYS 14 3HZ LYS 14 -1.502 14.140 -0.374
118 H ASN 15 H ASN 15 5.183 8.289 0.507
119 HA ASN 15 HA ASN 15 4.915 7.930 3.184
120 HB2 ASN 15 2HB ASN 15 6.425 6.691 1.087
121 HB3 ASN 15 3HB ASN 15 7.418 6.765 2.539
122 HD21 ASN 15 1HD2 ASN 15 6.404 5.964 4.541
123 HD22 ASN 15 2HD2 ASN 15 5.346 4.602 4.427
124 H LYS 16 H LYS 16 7.485 9.685 1.549
125 HA LYS 16 HA LYS 16 8.494 10.538 4.184
126 HB2 LYS 16 2HB LYS 16 10.051 10.270 1.606
127 HB3 LYS 16 3HB LYS 16 10.698 10.840 3.139
128 HG2 LYS 16 2HG LYS 16 9.430 8.142 2.970
129 HG3 LYS 16 3HG LYS 16 11.084 8.384 2.402
130 HD2 LYS 16 2HD LYS 16 11.791 8.200 4.502
131 HD3 LYS 16 3HD LYS 16 10.896 9.667 4.903
132 HE2 LYS 16 2HE LYS 16 9.873 8.274 6.365
133 HE3 LYS 16 3HE LYS 16 8.883 7.906 4.953
134 HZ1 LYS 16 1HZ LYS 16 10.467 6.049 4.498
135 HZ2 LYS 16 2HZ LYS 16 9.547 5.860 5.904
136 HZ3 LYS 16 3HZ LYS 16 11.166 6.338 6.011
137 H SER 17 H SER 17 7.678 11.480 0.903
138 HA SER 17 HA SER 17 8.512 14.124 0.903
139 HB2 SER 17 2HB SER 17 5.930 13.188 -0.351
140 HB3 SER 17 3HB SER 17 6.992 14.485 -0.897
141 HG SER 17 HG SER 17 7.041 12.121 -1.811
142 H ARG 18 H ARG 18 5.256 12.919 1.730
143 HA ARG 18 HA ARG 18 4.874 15.359 3.338
144 HB2 ARG 18 2HB ARG 18 3.306 14.353 1.239
145 HB3 ARG 18 3HB ARG 18 2.408 13.992 2.707
146 HG2 ARG 18 2HG ARG 18 3.331 16.638 2.961
147 HG3 ARG 18 3HG ARG 18 2.684 16.473 1.327
148 HD2 ARG 18 2HD ARG 18 0.682 15.324 2.482
149 HD3 ARG 18 3HD ARG 18 1.303 16.068 3.955
150 HE ARG 18 HE ARG 18 1.110 18.037 1.975
151 HH11 ARG 18 1HH1 ARG 18 -0.945 16.002 3.911
152 HH12 ARG 18 2HH1 ARG 18 -2.269 17.119 3.914
153 HH21 ARG 18 1HH2 ARG 18 -0.626 19.517 1.971
154 HH22 ARG 18 2HH2 ARG 18 -2.087 19.118 2.809
Start of MODEL 16
1 H1 VAL 1 H VAL 1 -0.076 0.695 -0.098
2 HA VAL 1 HA VAL 1 1.906 -0.388 -0.394
3 HB VAL 1 HB VAL 1 2.514 -0.976 -2.730
4 HG11 VAL 1 1HG1 VAL 1 0.684 -2.101 -1.292
5 HG12 VAL 1 2HG1 VAL 1 -0.440 -1.351 -2.428
6 HG13 VAL 1 3HG1 VAL 1 0.776 -2.487 -3.010
7 HG21 VAL 1 1HG2 VAL 1 0.275 0.930 -3.359
8 HG22 VAL 1 2HG2 VAL 1 1.932 0.954 -3.961
9 HG23 VAL 1 3HG2 VAL 1 0.819 -0.306 -4.494
10 H ALA 2 H ALA 2 3.999 0.154 -0.216
11 HA ALA 2 HA ALA 2 4.873 2.676 -1.469
12 HB1 ALA 2 1HB ALA 2 5.623 3.458 0.481
13 HB2 ALA 2 2HB ALA 2 4.650 2.193 1.231
14 HB3 ALA 2 3HB ALA 2 6.362 1.916 0.912
15 H ARG 3 H ARG 3 5.773 -0.580 -0.475
16 HA ARG 3 HA ARG 3 8.451 -0.619 -1.141
17 HB2 ARG 3 2HB ARG 3 8.036 -3.075 -1.691
18 HB3 ARG 3 3HB ARG 3 7.576 -2.534 -0.082
19 HG2 ARG 3 2HG ARG 3 5.455 -3.103 -0.403
20 HG3 ARG 3 3HG ARG 3 5.393 -2.271 -1.958
21 HD2 ARG 3 2HD ARG 3 5.105 -4.375 -2.735
22 HD3 ARG 3 3HD ARG 3 6.866 -4.395 -2.656
23 HE ARG 3 HE ARG 3 5.673 -5.247 -0.209
24 HH11 ARG 3 1HH1 ARG 3 6.517 -6.275 -3.426
25 HH12 ARG 3 2HH1 ARG 3 6.648 -7.949 -2.998
26 HH21 ARG 3 1HH2 ARG 3 5.842 -7.447 0.367
27 HH22 ARG 3 2HH2 ARG 3 6.262 -8.614 -0.840
28 H GLY 4 H GLY 4 5.662 -0.591 -3.230
29 HA2 GLY 4 2HA GLY 4 7.457 -0.825 -5.566
30 HA3 GLY 4 3HA GLY 4 5.774 -1.331 -5.572
31 H TRP 5 H TRP 5 6.217 1.515 -3.823
32 HA TRP 5 HA TRP 5 5.370 3.116 -6.148
33 HB2 TRP 5 2HB TRP 5 3.810 2.633 -4.033
34 HB3 TRP 5 3HB TRP 5 4.697 4.012 -3.390
35 HD1 TRP 5 HD1 TRP 5 2.046 3.088 -5.947
36 HE1 TRP 5 HE1 TRP 5 1.015 5.244 -6.904
37 HE3 TRP 5 HE3 TRP 5 5.277 6.499 -3.930
38 HZ2 TRP 5 HZ2 TRP 5 1.506 8.022 -6.816
39 HZ3 TRP 5 HZ3 TRP 5 4.927 8.886 -4.415
40 HH2 TRP 5 HH2 TRP 5 3.080 9.629 -5.829
41 H GLY 6 H GLY 6 7.588 2.791 -3.534
42 HA2 GLY 6 2HA GLY 6 8.482 5.544 -3.618
43 HA3 GLY 6 3HA GLY 6 9.182 4.246 -2.662
44 H ARG 7 H ARG 7 9.294 2.568 -5.183
45 HA ARG 7 HA ARG 7 11.941 3.411 -5.958
46 HB2 ARG 7 2HB ARG 7 11.632 1.065 -5.673
47 HB3 ARG 7 3HB ARG 7 10.216 1.057 -6.716
48 HG2 ARG 7 2HG ARG 7 11.439 0.888 -8.583
49 HG3 ARG 7 3HG ARG 7 12.662 2.021 -8.005
50 HD2 ARG 7 2HD ARG 7 14.006 0.367 -7.354
51 HD3 ARG 7 3HD ARG 7 12.697 -0.448 -6.498
52 HE ARG 7 HE ARG 7 12.300 -0.923 -9.196
53 HH11 ARG 7 1HH1 ARG 7 14.730 -1.598 -6.797
54 HH12 ARG 7 2HH1 ARG 7 15.256 -3.065 -7.553
55 HH21 ARG 7 1HH2 ARG 7 12.983 -2.853 -10.202
56 HH22 ARG 7 2HH2 ARG 7 14.263 -3.778 -9.491
57 H LYS 8 H LYS 8 8.726 3.607 -7.233
58 HA LYS 8 HA LYS 8 9.655 4.333 -9.895
59 HB2 LYS 8 2HB LYS 8 7.723 2.994 -9.974
60 HB3 LYS 8 3HB LYS 8 6.946 3.882 -8.670
61 HG2 LYS 8 2HG LYS 8 6.130 5.458 -10.049
62 HG3 LYS 8 3HG LYS 8 7.567 5.457 -11.075
63 HD2 LYS 8 2HD LYS 8 6.324 2.944 -11.399
64 HD3 LYS 8 3HD LYS 8 5.050 4.163 -11.495
65 HE2 LYS 8 2HE LYS 8 6.966 5.319 -13.013
66 HE3 LYS 8 3HE LYS 8 7.299 3.615 -13.318
67 HZ1 LYS 8 1HZ LYS 8 5.539 4.980 -14.715
68 HZ2 LYS 8 2HZ LYS 8 4.515 4.475 -13.467
69 HZ3 LYS 8 3HZ LYS 8 5.344 3.330 -14.395
70 H CYS 9 H CYS 9 7.559 5.807 -7.410
71 HA CYS 9 HA CYS 9 8.369 8.446 -8.438
72 HB2 CYS 9 2HB CYS 9 5.789 7.418 -7.332
73 HB3 CYS 9 3HB CYS 9 6.194 9.113 -7.092
74 HG CYS 9 HG CYS 9 4.581 8.011 -9.522
75 HA PRO 10 HA PRO 10 10.192 8.021 -4.195
76 HB2 PRO 10 2HB PRO 10 12.582 9.124 -4.862
77 HB3 PRO 10 3HB PRO 10 12.228 7.404 -5.063
78 HG2 PRO 10 2HG PRO 10 12.174 9.599 -7.098
79 HG3 PRO 10 3HG PRO 10 12.819 7.953 -7.244
80 HD2 PRO 10 2HD PRO 10 10.402 8.664 -8.237
81 HD3 PRO 10 3HD PRO 10 10.738 7.035 -7.616
82 H LEU 11 H LEU 11 10.782 10.732 -6.445
83 HA LEU 11 HA LEU 11 11.000 12.715 -4.471
84 HB2 LEU 11 2HB LEU 11 11.078 14.240 -6.191
85 HB3 LEU 11 3HB LEU 11 11.597 12.757 -6.990
86 HG LEU 11 HG LEU 11 8.997 12.624 -7.558
87 HD11 LEU 11 1HD1 LEU 11 9.231 15.516 -7.969
88 HD12 LEU 11 2HD1 LEU 11 9.028 15.025 -6.288
89 HD13 LEU 11 3HD1 LEU 11 7.839 14.541 -7.497
90 HD21 LEU 11 1HD2 LEU 11 9.569 13.855 -9.690
91 HD22 LEU 11 2HD2 LEU 11 10.635 12.518 -9.258
92 HD23 LEU 11 3HD2 LEU 11 11.147 14.182 -8.973
93 H PHE 12 H PHE 12 8.282 11.043 -5.664
94 HA PHE 12 HA PHE 12 6.473 13.056 -4.501
95 HB2 PHE 12 2HB PHE 12 6.378 11.646 -6.994
96 HB3 PHE 12 3HB PHE 12 4.991 11.173 -6.018
97 HD1 PHE 12 HD1 PHE 12 4.489 13.700 -4.551
98 HD2 PHE 12 HD2 PHE 12 5.436 12.993 -8.640
99 HE1 PHE 12 HE1 PHE 12 3.339 15.784 -5.175
100 HE2 PHE 12 HE2 PHE 12 4.289 15.076 -9.270
101 HZ PHE 12 HZ PHE 12 3.239 16.475 -7.537
102 H GLY 13 H GLY 13 7.981 10.337 -3.670
103 HA2 GLY 13 2HA GLY 13 6.055 8.524 -2.805
104 HA3 GLY 13 3HA GLY 13 7.625 8.752 -2.049
105 H LYS 14 H LYS 14 4.287 9.890 -2.090
106 HA LYS 14 HA LYS 14 4.210 11.733 -0.107
107 HB2 LYS 14 2HB LYS 14 2.344 9.846 -1.239
108 HB3 LYS 14 3HB LYS 14 2.044 10.039 0.483
109 HG2 LYS 14 2HG LYS 14 1.109 12.025 0.176
110 HG3 LYS 14 3HG LYS 14 2.477 12.593 -0.784
111 HD2 LYS 14 2HD LYS 14 0.575 12.703 -2.194
112 HD3 LYS 14 3HD LYS 14 1.503 11.295 -2.719
113 HE2 LYS 14 2HE LYS 14 -0.815 10.692 -2.655
114 HE3 LYS 14 3HE LYS 14 0.008 9.872 -1.330
115 HZ1 LYS 14 1HZ LYS 14 -0.814 12.204 -0.215
116 HZ2 LYS 14 2HZ LYS 14 -1.599 10.714 -0.062
117 HZ3 LYS 14 3HZ LYS 14 -2.100 11.816 -1.244
118 H ASN 15 H ASN 15 4.680 8.279 0.278
119 HA ASN 15 HA ASN 15 4.207 7.820 2.910
120 HB2 ASN 15 2HB ASN 15 5.610 6.513 0.905
121 HB3 ASN 15 3HB ASN 15 6.819 6.757 2.162
122 HD21 ASN 15 1HD2 ASN 15 6.979 4.661 2.797
123 HD22 ASN 15 2HD2 ASN 15 5.699 3.792 3.566
124 H LYS 16 H LYS 16 6.922 9.593 1.546
125 HA LYS 16 HA LYS 16 7.730 10.335 4.282
126 HB2 LYS 16 2HB LYS 16 9.482 10.135 1.825
127 HB3 LYS 16 3HB LYS 16 10.013 10.639 3.424
128 HG2 LYS 16 2HG LYS 16 9.108 8.323 4.170
129 HG3 LYS 16 3HG LYS 16 9.241 7.924 2.456
130 HD2 LYS 16 2HD LYS 16 11.640 8.911 2.694
131 HD3 LYS 16 3HD LYS 16 11.391 8.618 4.416
132 HE2 LYS 16 2HE LYS 16 10.542 6.277 3.198
133 HE3 LYS 16 3HE LYS 16 11.967 6.748 2.273
134 HZ1 LYS 16 1HZ LYS 16 13.283 6.751 4.221
135 HZ2 LYS 16 2HZ LYS 16 12.406 5.305 4.246
136 HZ3 LYS 16 3HZ LYS 16 11.936 6.596 5.233
137 H SER 17 H SER 17 7.181 11.407 0.987
138 HA SER 17 HA SER 17 8.059 14.020 1.100
139 HB2 SER 17 2HB SER 17 5.461 13.320 -0.248
140 HB3 SER 17 3HB SER 17 6.712 14.446 -0.776
141 HG SER 17 HG SER 17 8.065 12.447 -0.904
142 H ARG 18 H ARG 18 4.681 13.002 1.651
143 HA ARG 18 HA ARG 18 4.117 15.504 2.997
144 HB2 ARG 18 2HB ARG 18 2.459 14.532 1.470
145 HB3 ARG 18 3HB ARG 18 2.355 13.101 2.487
146 HG2 ARG 18 2HG ARG 18 1.217 14.216 4.165
147 HG3 ARG 18 3HG ARG 18 1.772 15.802 3.624
148 HD2 ARG 18 2HD ARG 18 0.399 14.929 1.442
149 HD3 ARG 18 3HD ARG 18 -0.529 14.202 2.753
150 HE ARG 18 HE ARG 18 -0.187 16.797 3.521
151 HH11 ARG 18 1HH1 ARG 18 -1.492 15.216 0.707
152 HH12 ARG 18 2HH1 ARG 18 -2.626 16.480 0.363
153 HH21 ARG 18 1HH2 ARG 18 -1.676 18.467 3.078
154 HH22 ARG 18 2HH2 ARG 18 -2.729 18.329 1.712
Start of MODEL 17
1 H1 VAL 1 H VAL 1 2.889 0.160 1.146
2 HA VAL 1 HA VAL 1 3.224 -0.992 -0.914
3 HB VAL 1 HB VAL 1 1.293 1.009 -2.093
4 HG11 VAL 1 1HG1 VAL 1 2.649 0.361 -3.854
5 HG12 VAL 1 2HG1 VAL 1 2.870 -1.270 -3.219
6 HG13 VAL 1 3HG1 VAL 1 1.331 -0.806 -3.945
7 HG21 VAL 1 1HG2 VAL 1 0.132 -1.454 -2.339
8 HG22 VAL 1 2HG2 VAL 1 0.879 -1.554 -0.745
9 HG23 VAL 1 3HG2 VAL 1 -0.267 -0.261 -1.103
10 H ALA 2 H ALA 2 5.318 -0.255 -0.750
11 HA ALA 2 HA ALA 2 5.884 2.312 -2.087
12 HB1 ALA 2 1HB ALA 2 7.160 2.954 -0.386
13 HB2 ALA 2 2HB ALA 2 6.539 1.573 0.519
14 HB3 ALA 2 3HB ALA 2 8.041 1.425 -0.392
15 H ARG 3 H ARG 3 6.879 -1.030 -1.600
16 HA ARG 3 HA ARG 3 9.208 -1.098 -3.093
17 HB2 ARG 3 2HB ARG 3 8.842 -3.465 -3.343
18 HB3 ARG 3 3HB ARG 3 8.297 -2.980 -1.743
19 HG2 ARG 3 2HG ARG 3 5.975 -2.772 -2.965
20 HG3 ARG 3 3HG ARG 3 6.725 -3.911 -4.084
21 HD2 ARG 3 2HD ARG 3 6.884 -5.572 -2.497
22 HD3 ARG 3 3HD ARG 3 6.885 -4.431 -1.152
23 HE ARG 3 HE ARG 3 4.590 -5.600 -2.439
24 HH11 ARG 3 1HH1 ARG 3 5.771 -2.959 -0.502
25 HH12 ARG 3 2HH1 ARG 3 4.222 -2.599 0.185
26 HH21 ARG 3 1HH2 ARG 3 2.545 -5.136 -1.541
27 HH22 ARG 3 2HH2 ARG 3 2.388 -3.838 -0.406
28 H GLY 4 H GLY 4 5.902 -0.864 -4.155
29 HA2 GLY 4 2HA GLY 4 6.824 -1.049 -6.956
30 HA3 GLY 4 3HA GLY 4 5.205 -1.486 -6.429
31 H TRP 5 H TRP 5 6.068 1.176 -4.695
32 HA TRP 5 HA TRP 5 4.861 2.992 -6.679
33 HB2 TRP 5 2HB TRP 5 3.657 2.291 -4.391
34 HB3 TRP 5 3HB TRP 5 4.639 3.620 -3.780
35 HD1 TRP 5 HD1 TRP 5 1.607 2.889 -5.945
36 HE1 TRP 5 HE1 TRP 5 0.439 5.107 -6.531
37 HE3 TRP 5 HE3 TRP 5 5.130 6.151 -4.188
38 HZ2 TRP 5 HZ2 TRP 5 0.944 7.873 -6.281
39 HZ3 TRP 5 HZ3 TRP 5 4.711 8.566 -4.401
40 HH2 TRP 5 HH2 TRP 5 2.661 9.407 -5.426
41 H GLY 6 H GLY 6 6.683 3.226 -3.612
42 HA2 GLY 6 2HA GLY 6 7.833 5.705 -4.064
43 HA3 GLY 6 3HA GLY 6 8.544 4.451 -3.058
44 H ARG 7 H ARG 7 8.690 2.628 -5.433
45 HA ARG 7 HA ARG 7 11.334 3.292 -6.217
46 HB2 ARG 7 2HB ARG 7 9.385 1.231 -7.252
47 HB3 ARG 7 3HB ARG 7 11.046 1.363 -7.814
48 HG2 ARG 7 2HG ARG 7 10.299 0.927 -4.934
49 HG3 ARG 7 3HG ARG 7 10.641 -0.380 -6.068
50 HD2 ARG 7 2HD ARG 7 12.776 1.350 -6.384
51 HD3 ARG 7 3HD ARG 7 12.462 1.383 -4.650
52 HE ARG 7 HE ARG 7 12.455 -1.281 -5.454
53 HH11 ARG 7 1HH1 ARG 7 14.684 1.385 -5.262
54 HH12 ARG 7 2HH1 ARG 7 16.074 0.377 -5.030
55 HH21 ARG 7 1HH2 ARG 7 14.277 -2.620 -5.151
56 HH22 ARG 7 2HH2 ARG 7 15.841 -1.902 -4.968
57 H LYS 8 H LYS 8 8.217 3.381 -7.912
58 HA LYS 8 HA LYS 8 9.378 4.471 -10.309
59 HB2 LYS 8 2HB LYS 8 7.060 3.114 -9.758
60 HB3 LYS 8 3HB LYS 8 6.476 4.762 -9.952
61 HG2 LYS 8 2HG LYS 8 7.400 4.893 -12.160
62 HG3 LYS 8 3HG LYS 8 8.188 3.325 -11.968
63 HD2 LYS 8 2HD LYS 8 6.280 2.830 -13.214
64 HD3 LYS 8 3HD LYS 8 5.811 2.421 -11.562
65 HE2 LYS 8 2HE LYS 8 4.583 4.451 -11.329
66 HE3 LYS 8 3HE LYS 8 5.230 5.085 -12.842
67 HZ1 LYS 8 1HZ LYS 8 3.762 2.565 -12.967
68 HZ2 LYS 8 2HZ LYS 8 3.817 3.840 -14.076
69 HZ3 LYS 8 3HZ LYS 8 2.858 3.967 -12.688
70 H CYS 9 H CYS 9 7.304 5.709 -7.702
71 HA CYS 9 HA CYS 9 7.948 8.439 -8.601
72 HB2 CYS 9 2HB CYS 9 5.479 7.214 -7.500
73 HB3 CYS 9 3HB CYS 9 5.848 8.852 -6.975
74 HG CYS 9 HG CYS 9 6.288 9.203 -10.043
75 HA PRO 10 HA PRO 10 10.091 7.793 -4.538
76 HB2 PRO 10 2HB PRO 10 12.396 9.008 -5.298
77 HB3 PRO 10 3HB PRO 10 12.073 7.295 -5.587
78 HG2 PRO 10 2HG PRO 10 11.815 9.613 -7.463
79 HG3 PRO 10 3HG PRO 10 12.490 8.001 -7.763
80 HD2 PRO 10 2HD PRO 10 9.990 8.701 -8.533
81 HD3 PRO 10 3HD PRO 10 10.411 7.046 -8.047
82 H LEU 11 H LEU 11 10.448 10.659 -6.639
83 HA LEU 11 HA LEU 11 10.751 12.515 -4.551
84 HB2 LEU 11 2HB LEU 11 10.683 14.150 -6.167
85 HB3 LEU 11 3HB LEU 11 11.184 12.739 -7.095
86 HG LEU 11 HG LEU 11 8.557 12.571 -7.506
87 HD11 LEU 11 1HD1 LEU 11 8.695 15.488 -7.738
88 HD12 LEU 11 2HD1 LEU 11 8.615 14.885 -6.083
89 HD13 LEU 11 3HD1 LEU 11 7.361 14.447 -7.242
90 HD21 LEU 11 1HD2 LEU 11 10.587 14.262 -8.941
91 HD22 LEU 11 2HD2 LEU 11 8.968 13.976 -9.578
92 HD23 LEU 11 3HD2 LEU 11 10.065 12.619 -9.317
93 H PHE 12 H PHE 12 8.005 10.845 -5.676
94 HA PHE 12 HA PHE 12 6.223 12.732 -4.282
95 HB2 PHE 12 2HB PHE 12 6.003 11.458 -6.839
96 HB3 PHE 12 3HB PHE 12 4.696 10.891 -5.805
97 HD1 PHE 12 HD1 PHE 12 4.226 13.319 -4.170
98 HD2 PHE 12 HD2 PHE 12 4.920 12.862 -8.344
99 HE1 PHE 12 HE1 PHE 12 2.983 15.399 -4.600
100 HE2 PHE 12 HE2 PHE 12 3.679 14.941 -8.781
101 HZ PHE 12 HZ PHE 12 2.710 16.213 -6.908
102 H GLY 13 H GLY 13 7.853 10.011 -3.715
103 HA2 GLY 13 2HA GLY 13 6.044 8.094 -2.832
104 HA3 GLY 13 3HA GLY 13 7.649 8.336 -2.158
105 H LYS 14 H LYS 14 4.279 9.351 -1.938
106 HA LYS 14 HA LYS 14 4.256 11.084 0.141
107 HB2 LYS 14 2HB LYS 14 2.394 9.214 -0.994
108 HB3 LYS 14 3HB LYS 14 2.208 9.236 0.755
109 HG2 LYS 14 2HG LYS 14 2.097 11.764 0.562
110 HG3 LYS 14 3HG LYS 14 1.919 11.515 -1.176
111 HD2 LYS 14 2HD LYS 14 -0.273 11.344 -0.780
112 HD3 LYS 14 3HD LYS 14 0.089 9.759 -0.091
113 HE2 LYS 14 2HE LYS 14 0.564 11.109 2.079
114 HE3 LYS 14 3HE LYS 14 -0.385 12.370 1.294
115 HZ1 LYS 14 1HZ LYS 14 -2.228 10.847 1.105
116 HZ2 LYS 14 2HZ LYS 14 -1.737 10.940 2.721
117 HZ3 LYS 14 3HZ LYS 14 -1.318 9.593 1.786
118 H ASN 15 H ASN 15 4.851 7.628 0.323
119 HA ASN 15 HA ASN 15 4.577 7.037 2.956
120 HB2 ASN 15 2HB ASN 15 5.725 5.767 0.859
121 HB3 ASN 15 3HB ASN 15 7.156 6.148 1.811
122 HD21 ASN 15 1HD2 ASN 15 6.032 3.562 1.238
123 HD22 ASN 15 2HD2 ASN 15 5.639 2.841 2.759
124 H LYS 16 H LYS 16 7.169 8.918 1.491
125 HA LYS 16 HA LYS 16 8.158 9.548 4.196
126 HB2 LYS 16 2HB LYS 16 9.695 8.301 2.537
127 HB3 LYS 16 3HB LYS 16 9.802 9.840 1.694
128 HG2 LYS 16 2HG LYS 16 10.832 10.890 3.545
129 HG3 LYS 16 3HG LYS 16 10.464 9.530 4.609
130 HD2 LYS 16 2HD LYS 16 12.688 9.152 4.128
131 HD3 LYS 16 3HD LYS 16 11.891 8.171 2.896
132 HE2 LYS 16 2HE LYS 16 12.228 10.863 1.954
133 HE3 LYS 16 3HE LYS 16 13.771 10.222 2.515
134 HZ1 LYS 16 1HZ LYS 16 13.872 9.286 0.509
135 HZ2 LYS 16 2HZ LYS 16 12.224 9.507 0.200
136 HZ3 LYS 16 3HZ LYS 16 12.744 8.167 1.092
137 H SER 17 H SER 17 7.415 10.815 0.991
138 HA SER 17 HA SER 17 8.166 13.453 1.273
139 HB2 SER 17 2HB SER 17 5.558 12.766 -0.049
140 HB3 SER 17 3HB SER 17 6.784 13.932 -0.548
141 HG SER 17 HG SER 17 7.206 12.302 -1.871
142 H ARG 18 H ARG 18 4.868 12.215 1.856
143 HA ARG 18 HA ARG 18 4.492 14.418 3.777
144 HB2 ARG 18 2HB ARG 18 2.908 13.566 1.552
145 HB3 ARG 18 3HB ARG 18 1.986 13.317 3.029
146 HG2 ARG 18 2HG ARG 18 2.465 15.684 3.644
147 HG3 ARG 18 3HG ARG 18 3.198 15.890 2.052
148 HD2 ARG 18 2HD ARG 18 0.553 14.674 1.946
149 HD3 ARG 18 3HD ARG 18 0.545 16.277 2.679
150 HE ARG 18 HE ARG 18 2.060 16.309 0.297
151 HH11 ARG 18 1HH1 ARG 18 -1.225 16.125 1.435
152 HH12 ARG 18 2HH1 ARG 18 -1.896 16.855 0.014
153 HH21 ARG 18 1HH2 ARG 18 1.188 17.271 -1.579
154 HH22 ARG 18 2HH2 ARG 18 -0.523 17.505 -1.700
Start of MODEL 18
1 H1 VAL 1 H VAL 1 -0.939 -0.465 -1.992
2 HA VAL 1 HA VAL 1 1.367 -1.408 -1.403
3 HB VAL 1 HB VAL 1 0.261 -1.911 -3.569
4 HG11 VAL 1 1HG1 VAL 1 0.437 -0.593 -5.442
5 HG12 VAL 1 2HG1 VAL 1 0.357 0.638 -4.180
6 HG13 VAL 1 3HG1 VAL 1 1.913 0.194 -4.884
7 HG21 VAL 1 1HG2 VAL 1 2.172 -2.785 -4.574
8 HG22 VAL 1 2HG2 VAL 1 3.173 -1.418 -4.085
9 HG23 VAL 1 3HG2 VAL 1 2.648 -2.601 -2.886
10 H ALA 2 H ALA 2 3.523 -0.968 -1.255
11 HA ALA 2 HA ALA 2 4.354 1.793 -1.875
12 HB1 ALA 2 1HB ALA 2 5.161 2.078 0.185
13 HB2 ALA 2 2HB ALA 2 4.219 0.654 0.628
14 HB3 ALA 2 3HB ALA 2 5.921 0.486 0.198
15 H ARG 3 H ARG 3 5.294 -1.599 -1.733
16 HA ARG 3 HA ARG 3 7.948 -1.449 -2.473
17 HB2 ARG 3 2HB ARG 3 7.603 -3.703 -3.503
18 HB3 ARG 3 3HB ARG 3 6.989 -3.559 -1.862
19 HG2 ARG 3 2HG ARG 3 4.723 -3.261 -2.742
20 HG3 ARG 3 3HG ARG 3 5.349 -3.435 -4.383
21 HD2 ARG 3 2HD ARG 3 4.955 -5.618 -4.160
22 HD3 ARG 3 3HD ARG 3 6.343 -5.651 -3.074
23 HE ARG 3 HE ARG 3 4.017 -4.917 -1.652
24 HH11 ARG 3 1HH1 ARG 3 5.540 -7.663 -3.156
25 HH12 ARG 3 2HH1 ARG 3 4.788 -8.819 -2.107
26 HH21 ARG 3 1HH2 ARG 3 3.021 -6.429 -0.265
27 HH22 ARG 3 2HH2 ARG 3 3.355 -8.116 -0.464
28 H GLY 4 H GLY 4 5.093 -0.941 -4.407
29 HA2 GLY 4 2HA GLY 4 6.815 -0.571 -6.781
30 HA3 GLY 4 3HA GLY 4 5.135 -1.082 -6.862
31 H TRP 5 H TRP 5 5.650 1.262 -4.486
32 HA TRP 5 HA TRP 5 4.702 3.369 -6.317
33 HB2 TRP 5 2HB TRP 5 3.224 2.371 -4.330
34 HB3 TRP 5 3HB TRP 5 4.138 3.554 -3.398
35 HD1 TRP 5 HD1 TRP 5 1.384 3.271 -5.995
36 HE1 TRP 5 HE1 TRP 5 0.323 5.588 -6.352
37 HE3 TRP 5 HE3 TRP 5 4.709 6.103 -3.338
38 HZ2 TRP 5 HZ2 TRP 5 0.829 8.263 -5.606
39 HZ3 TRP 5 HZ3 TRP 5 4.348 8.534 -3.209
40 HH2 TRP 5 HH2 TRP 5 2.448 9.590 -4.321
41 H GLY 6 H GLY 6 6.965 2.471 -3.851
42 HA2 GLY 6 2HA GLY 6 7.862 5.153 -3.305
43 HA3 GLY 6 3HA GLY 6 8.624 3.665 -2.762
44 H ARG 7 H ARG 7 9.556 2.360 -4.742
45 HA ARG 7 HA ARG 7 11.718 3.824 -5.732
46 HB2 ARG 7 2HB ARG 7 10.522 1.196 -6.607
47 HB3 ARG 7 3HB ARG 7 12.001 1.847 -7.301
48 HG2 ARG 7 2HG ARG 7 12.237 1.912 -4.469
49 HG3 ARG 7 3HG ARG 7 11.686 0.307 -4.955
50 HD2 ARG 7 2HD ARG 7 13.893 -0.060 -5.248
51 HD3 ARG 7 3HD ARG 7 13.598 0.724 -6.800
52 HE ARG 7 HE ARG 7 14.198 2.733 -4.991
53 HH11 ARG 7 1HH1 ARG 7 15.765 -0.063 -6.348
54 HH12 ARG 7 2HH1 ARG 7 17.358 0.608 -6.226
55 HH21 ARG 7 1HH2 ARG 7 16.289 3.628 -4.825
56 HH22 ARG 7 2HH2 ARG 7 17.655 2.708 -5.359
57 H LYS 8 H LYS 8 8.579 3.110 -7.139
58 HA LYS 8 HA LYS 8 9.195 4.059 -9.752
59 HB2 LYS 8 2HB LYS 8 7.167 2.601 -8.744
60 HB3 LYS 8 3HB LYS 8 6.391 4.178 -8.794
61 HG2 LYS 8 2HG LYS 8 7.591 3.993 -11.264
62 HG3 LYS 8 3HG LYS 8 7.037 2.346 -10.953
63 HD2 LYS 8 2HD LYS 8 4.794 3.317 -10.371
64 HD3 LYS 8 3HD LYS 8 5.392 4.872 -10.955
65 HE2 LYS 8 2HE LYS 8 5.354 4.220 -13.134
66 HE3 LYS 8 3HE LYS 8 5.713 2.537 -12.751
67 HZ1 LYS 8 1HZ LYS 8 3.425 2.974 -13.614
68 HZ2 LYS 8 2HZ LYS 8 3.096 3.805 -12.178
69 HZ3 LYS 8 3HZ LYS 8 3.477 2.157 -12.133
70 H CYS 9 H CYS 9 7.382 5.486 -7.036
71 HA CYS 9 HA CYS 9 7.817 8.129 -8.263
72 HB2 CYS 9 2HB CYS 9 5.469 6.928 -6.900
73 HB3 CYS 9 3HB CYS 9 5.792 8.625 -6.566
74 HG CYS 9 HG CYS 9 5.722 7.642 -9.807
75 HA PRO 10 HA PRO 10 10.187 7.968 -4.270
76 HB2 PRO 10 2HB PRO 10 12.428 9.120 -5.280
77 HB3 PRO 10 3HB PRO 10 12.126 7.380 -5.353
78 HG2 PRO 10 2HG PRO 10 11.731 9.461 -7.468
79 HG3 PRO 10 3HG PRO 10 12.422 7.835 -7.614
80 HD2 PRO 10 2HD PRO 10 9.875 8.405 -8.333
81 HD3 PRO 10 3HD PRO 10 10.352 6.824 -7.681
82 H LEU 11 H LEU 11 10.385 10.576 -6.702
83 HA LEU 11 HA LEU 11 10.749 12.665 -4.857
84 HB2 LEU 11 2HB LEU 11 10.578 14.101 -6.645
85 HB3 LEU 11 3HB LEU 11 11.061 12.598 -7.428
86 HG LEU 11 HG LEU 11 8.421 12.353 -7.691
87 HD11 LEU 11 1HD1 LEU 11 8.474 15.216 -8.276
88 HD12 LEU 11 2HD1 LEU 11 8.525 14.831 -6.556
89 HD13 LEU 11 3HD1 LEU 11 7.205 14.224 -7.556
90 HD21 LEU 11 1HD2 LEU 11 10.377 13.861 -9.397
91 HD22 LEU 11 2HD2 LEU 11 8.722 13.555 -9.922
92 HD23 LEU 11 3HD2 LEU 11 9.803 12.204 -9.578
93 H PHE 12 H PHE 12 7.989 10.836 -5.646
94 HA PHE 12 HA PHE 12 6.236 12.846 -4.395
95 HB2 PHE 12 2HB PHE 12 5.924 11.289 -6.780
96 HB3 PHE 12 3HB PHE 12 4.677 10.824 -5.628
97 HD1 PHE 12 HD1 PHE 12 4.243 13.419 -4.254
98 HD2 PHE 12 HD2 PHE 12 4.738 12.494 -8.379
99 HE1 PHE 12 HE1 PHE 12 2.942 15.419 -4.855
100 HE2 PHE 12 HE2 PHE 12 3.439 14.493 -8.987
101 HZ PHE 12 HZ PHE 12 2.540 15.959 -7.224
102 H GLY 13 H GLY 13 7.944 10.240 -3.592
103 HA2 GLY 13 2HA GLY 13 6.206 8.412 -2.416
104 HA3 GLY 13 3HA GLY 13 7.840 8.740 -1.859
105 H LYS 14 H LYS 14 4.472 9.747 -1.576
106 HA LYS 14 HA LYS 14 4.529 11.704 0.291
107 HB2 LYS 14 2HB LYS 14 2.686 9.346 0.007
108 HB3 LYS 14 3HB LYS 14 2.438 10.535 1.279
109 HG2 LYS 14 2HG LYS 14 1.906 12.217 -0.212
110 HG3 LYS 14 3HG LYS 14 2.724 11.421 -1.559
111 HD2 LYS 14 2HD LYS 14 0.678 10.761 -2.184
112 HD3 LYS 14 3HD LYS 14 0.798 9.593 -0.865
113 HE2 LYS 14 2HE LYS 14 -0.076 11.656 0.546
114 HE3 LYS 14 3HE LYS 14 -0.716 12.149 -1.021
115 HZ1 LYS 14 1HZ LYS 14 -1.373 9.755 0.571
116 HZ2 LYS 14 2HZ LYS 14 -1.635 9.770 -1.100
117 HZ3 LYS 14 3HZ LYS 14 -2.417 10.899 -0.111
118 H ASN 15 H ASN 15 5.185 8.296 0.836
119 HA ASN 15 HA ASN 15 5.064 8.009 3.529
120 HB2 ASN 15 2HB ASN 15 6.334 6.654 1.428
121 HB3 ASN 15 3HB ASN 15 7.599 6.954 2.615
122 HD21 ASN 15 1HD2 ASN 15 7.635 5.804 4.460
123 HD22 ASN 15 2HD2 ASN 15 6.483 4.584 4.871
124 H LYS 16 H LYS 16 7.546 9.736 1.722
125 HA LYS 16 HA LYS 16 8.659 10.689 4.280
126 HB2 LYS 16 2HB LYS 16 10.132 9.270 2.702
127 HB3 LYS 16 3HB LYS 16 10.171 10.700 1.679
128 HG2 LYS 16 2HG LYS 16 11.252 11.979 3.366
129 HG3 LYS 16 3HG LYS 16 11.001 10.712 4.569
130 HD2 LYS 16 2HD LYS 16 12.407 9.739 2.221
131 HD3 LYS 16 3HD LYS 16 13.257 11.073 3.005
132 HE2 LYS 16 2HE LYS 16 12.228 9.163 4.927
133 HE3 LYS 16 3HE LYS 16 13.302 8.401 3.755
134 HZ1 LYS 16 1HZ LYS 16 13.939 10.140 5.917
135 HZ2 LYS 16 2HZ LYS 16 14.558 10.734 4.459
136 HZ3 LYS 16 3HZ LYS 16 14.965 9.176 4.978
137 H SER 17 H SER 17 7.735 11.563 0.993
138 HA SER 17 HA SER 17 8.457 14.222 0.924
139 HB2 SER 17 2HB SER 17 5.793 13.381 -0.170
140 HB3 SER 17 3HB SER 17 6.995 14.462 -0.874
141 HG SER 17 HG SER 17 8.313 12.362 -0.853
142 H ARG 18 H ARG 18 5.169 13.093 1.731
143 HA ARG 18 HA ARG 18 4.649 15.597 3.110
144 HB2 ARG 18 2HB ARG 18 2.887 13.208 2.539
145 HB3 ARG 18 3HB ARG 18 2.346 14.663 3.365
146 HG2 ARG 18 2HG ARG 18 3.017 15.954 1.320
147 HG3 ARG 18 3HG ARG 18 3.269 14.403 0.517
148 HD2 ARG 18 2HD ARG 18 1.017 13.875 0.547
149 HD3 ARG 18 3HD ARG 18 0.677 14.961 1.893
150 HE ARG 18 HE ARG 18 1.458 16.599 -0.157
151 HH11 ARG 18 1HH1 ARG 18 -1.021 14.198 0.304
152 HH12 ARG 18 2HH1 ARG 18 -2.136 14.951 -0.788
153 HH21 ARG 18 1HH2 ARG 18 -0.001 17.599 -1.597
154 HH22 ARG 18 2HH2 ARG 18 -1.554 16.885 -1.869
Start of MODEL 19
1 H1 VAL 1 H VAL 1 0.891 1.949 -1.814
2 HA VAL 1 HA VAL 1 2.623 -0.107 -0.623
3 HB VAL 1 HB VAL 1 3.038 -1.052 -2.867
4 HG11 VAL 1 1HG1 VAL 1 1.101 -1.713 -1.182
5 HG12 VAL 1 2HG1 VAL 1 0.092 -1.235 -2.549
6 HG13 VAL 1 3HG1 VAL 1 1.293 -2.513 -2.742
7 HG21 VAL 1 1HG2 VAL 1 0.754 -0.221 -4.278
8 HG22 VAL 1 2HG2 VAL 1 1.533 1.246 -3.686
9 HG23 VAL 1 3HG2 VAL 1 2.443 0.101 -4.671
10 H ALA 2 H ALA 2 4.827 0.076 -1.086
11 HA ALA 2 HA ALA 2 5.624 2.613 -2.361
12 HB1 ALA 2 1HB ALA 2 7.594 1.631 -0.504
13 HB2 ALA 2 2HB ALA 2 6.774 3.192 -0.551
14 HB3 ALA 2 3HB ALA 2 6.030 1.830 0.287
15 H ARG 3 H ARG 3 6.406 -0.775 -1.814
16 HA ARG 3 HA ARG 3 8.847 -0.956 -3.107
17 HB2 ARG 3 2HB ARG 3 6.608 -2.989 -3.139
18 HB3 ARG 3 3HB ARG 3 8.297 -3.316 -3.501
19 HG2 ARG 3 2HG ARG 3 8.895 -3.353 -1.334
20 HG3 ARG 3 3HG ARG 3 7.782 -2.057 -0.894
21 HD2 ARG 3 2HD ARG 3 5.914 -3.724 -1.173
22 HD3 ARG 3 3HD ARG 3 7.152 -4.971 -1.312
23 HE ARG 3 HE ARG 3 7.715 -3.614 1.015
24 HH11 ARG 3 1HH1 ARG 3 5.034 -5.426 -0.269
25 HH12 ARG 3 2HH1 ARG 3 4.489 -5.970 1.283
26 HH21 ARG 3 1HH2 ARG 3 7.008 -4.324 3.064
27 HH22 ARG 3 2HH2 ARG 3 5.612 -5.342 3.178
28 H GLY 4 H GLY 4 5.663 -0.537 -4.438
29 HA2 GLY 4 2HA GLY 4 6.808 -0.758 -7.154
30 HA3 GLY 4 3HA GLY 4 5.135 -1.135 -6.771
31 H TRP 5 H TRP 5 5.993 1.491 -4.956
32 HA TRP 5 HA TRP 5 5.013 3.361 -7.014
33 HB2 TRP 5 2HB TRP 5 3.591 2.696 -4.844
34 HB3 TRP 5 3HB TRP 5 4.569 3.980 -4.139
35 HD1 TRP 5 HD1 TRP 5 1.707 3.387 -6.562
36 HE1 TRP 5 HE1 TRP 5 0.683 5.653 -7.224
37 HE3 TRP 5 HE3 TRP 5 5.194 6.492 -4.479
38 HZ2 TRP 5 HZ2 TRP 5 1.276 8.395 -6.906
39 HZ3 TRP 5 HZ3 TRP 5 4.892 8.923 -4.703
40 HH2 TRP 5 HH2 TRP 5 2.973 9.853 -5.892
41 H GLY 6 H GLY 6 6.604 3.466 -3.814
42 HA2 GLY 6 2HA GLY 6 7.865 5.910 -4.091
43 HA3 GLY 6 3HA GLY 6 8.479 4.590 -3.106
44 H ARG 7 H ARG 7 8.874 2.777 -5.328
45 HA ARG 7 HA ARG 7 11.516 3.408 -5.991
46 HB2 ARG 7 2HB ARG 7 10.296 1.133 -6.045
47 HB3 ARG 7 3HB ARG 7 9.803 1.594 -7.668
48 HG2 ARG 7 2HG ARG 7 12.305 1.976 -8.101
49 HG3 ARG 7 3HG ARG 7 12.552 1.035 -6.629
50 HD2 ARG 7 2HD ARG 7 10.795 0.013 -8.829
51 HD3 ARG 7 3HD ARG 7 12.545 -0.181 -8.911
52 HE ARG 7 HE ARG 7 11.509 -1.079 -6.418
53 HH11 ARG 7 1HH1 ARG 7 11.867 -1.962 -9.767
54 HH12 ARG 7 2HH1 ARG 7 11.836 -3.666 -9.456
55 HH21 ARG 7 1HH2 ARG 7 11.467 -3.321 -5.996
56 HH22 ARG 7 2HH2 ARG 7 11.608 -4.438 -7.311
57 H LYS 8 H LYS 8 8.551 3.665 -7.934
58 HA LYS 8 HA LYS 8 9.921 4.832 -10.169
59 HB2 LYS 8 2HB LYS 8 7.069 4.252 -9.480
60 HB3 LYS 8 3HB LYS 8 7.418 5.366 -10.795
61 HG2 LYS 8 2HG LYS 8 9.065 3.199 -11.298
62 HG3 LYS 8 3HG LYS 8 7.559 2.479 -10.727
63 HD2 LYS 8 2HD LYS 8 7.436 2.717 -13.114
64 HD3 LYS 8 3HD LYS 8 6.333 3.881 -12.377
65 HE2 LYS 8 2HE LYS 8 7.374 5.555 -13.400
66 HE3 LYS 8 3HE LYS 8 8.905 5.087 -12.662
67 HZ1 LYS 8 1HZ LYS 8 8.938 3.331 -14.531
68 HZ2 LYS 8 2HZ LYS 8 9.350 4.929 -14.902
69 HZ3 LYS 8 3HZ LYS 8 7.813 4.340 -15.293
70 H CYS 9 H CYS 9 7.633 6.061 -7.733
71 HA CYS 9 HA CYS 9 8.534 8.786 -8.394
72 HB2 CYS 9 2HB CYS 9 5.885 7.652 -7.748
73 HB3 CYS 9 3HB CYS 9 6.254 9.187 -6.973
74 HG CYS 9 HG CYS 9 6.927 10.375 -9.526
75 HA PRO 10 HA PRO 10 10.121 7.828 -4.144
76 HB2 PRO 10 2HB PRO 10 12.553 8.965 -4.547
77 HB3 PRO 10 3HB PRO 10 12.194 7.288 -4.973
78 HG2 PRO 10 2HG PRO 10 12.270 9.712 -6.727
79 HG3 PRO 10 3HG PRO 10 12.906 8.086 -7.037
80 HD2 PRO 10 2HD PRO 10 10.553 8.949 -8.062
81 HD3 PRO 10 3HD PRO 10 10.839 7.253 -7.625
82 H LEU 11 H LEU 11 10.859 10.780 -6.015
83 HA LEU 11 HA LEU 11 10.984 12.506 -3.803
84 HB2 LEU 11 2HB LEU 11 11.183 14.225 -5.317
85 HB3 LEU 11 3HB LEU 11 11.730 12.841 -6.261
86 HG LEU 11 HG LEU 11 9.166 12.829 -6.987
87 HD11 LEU 11 1HD1 LEU 11 9.167 15.068 -5.438
88 HD12 LEU 11 2HD1 LEU 11 8.029 14.741 -6.744
89 HD13 LEU 11 3HD1 LEU 11 9.450 15.741 -7.043
90 HD21 LEU 11 1HD2 LEU 11 10.840 12.891 -8.624
91 HD22 LEU 11 2HD2 LEU 11 11.454 14.447 -8.065
92 HD23 LEU 11 3HD2 LEU 11 9.901 14.358 -8.896
93 H PHE 12 H PHE 12 8.325 11.037 -5.343
94 HA PHE 12 HA PHE 12 6.470 12.932 -4.061
95 HB2 PHE 12 2HB PHE 12 6.508 11.812 -6.698
96 HB3 PHE 12 3HB PHE 12 5.061 11.256 -5.862
97 HD1 PHE 12 HD1 PHE 12 4.499 13.611 -4.152
98 HD2 PHE 12 HD2 PHE 12 5.679 13.350 -8.233
99 HE1 PHE 12 HE1 PHE 12 3.409 15.771 -4.601
100 HE2 PHE 12 HE2 PHE 12 4.592 15.510 -8.689
101 HZ PHE 12 HZ PHE 12 3.456 16.723 -6.872
102 H GLY 13 H GLY 13 7.899 10.105 -3.469
103 HA2 GLY 13 2HA GLY 13 5.918 8.235 -2.925
104 HA3 GLY 13 3HA GLY 13 7.436 8.363 -2.048
105 H LYS 14 H LYS 14 4.109 9.526 -2.179
106 HA LYS 14 HA LYS 14 3.902 11.143 -0.017
107 HB2 LYS 14 2HB LYS 14 2.116 9.409 -1.469
108 HB3 LYS 14 3HB LYS 14 1.710 9.393 0.243
109 HG2 LYS 14 2HG LYS 14 1.931 12.007 -0.038
110 HG3 LYS 14 3HG LYS 14 1.576 11.614 -1.722
111 HD2 LYS 14 2HD LYS 14 -0.103 10.550 0.529
112 HD3 LYS 14 3HD LYS 14 -0.396 12.145 -0.168
113 HE2 LYS 14 2HE LYS 14 -0.212 9.682 -1.875
114 HE3 LYS 14 3HE LYS 14 -1.723 10.162 -1.104
115 HZ1 LYS 14 1HZ LYS 14 -0.524 12.364 -2.431
116 HZ2 LYS 14 2HZ LYS 14 -2.056 11.685 -2.660
117 HZ3 LYS 14 3HZ LYS 14 -0.725 11.071 -3.504
118 H ASN 15 H ASN 15 4.324 7.658 0.025
119 HA ASN 15 HA ASN 15 3.697 6.937 2.565
120 HB2 ASN 15 2HB ASN 15 5.279 5.865 0.509
121 HB3 ASN 15 3HB ASN 15 6.309 5.867 1.937
122 HD21 ASN 15 1HD2 ASN 15 4.884 3.729 0.365
123 HD22 ASN 15 2HD2 ASN 15 4.036 2.816 1.562
124 H LYS 16 H LYS 16 6.527 8.767 1.544
125 HA LYS 16 HA LYS 16 7.199 9.195 4.382
126 HB2 LYS 16 2HB LYS 16 8.876 7.966 2.848
127 HB3 LYS 16 3HB LYS 16 9.153 9.544 2.122
128 HG2 LYS 16 2HG LYS 16 10.025 10.429 4.115
129 HG3 LYS 16 3HG LYS 16 9.412 9.080 5.075
130 HD2 LYS 16 2HD LYS 16 11.301 8.447 2.876
131 HD3 LYS 16 3HD LYS 16 11.957 9.247 4.307
132 HE2 LYS 16 2HE LYS 16 10.211 7.172 5.162
133 HE3 LYS 16 3HE LYS 16 11.303 6.507 3.947
134 HZ1 LYS 16 1HZ LYS 16 12.732 6.315 5.628
135 HZ2 LYS 16 2HZ LYS 16 11.856 7.353 6.636
136 HZ3 LYS 16 3HZ LYS 16 12.945 7.989 5.508
137 H SER 17 H SER 17 6.916 10.673 1.194
138 HA SER 17 HA SER 17 7.737 13.250 1.726
139 HB2 SER 17 2HB SER 17 5.301 12.696 0.044
140 HB3 SER 17 3HB SER 17 6.548 13.920 -0.196
141 HG SER 17 HG SER 17 7.546 12.517 -1.380
142 H ARG 18 H ARG 18 4.304 12.280 1.690
143 HA ARG 18 HA ARG 18 3.762 14.413 3.633
144 HB2 ARG 18 2HB ARG 18 2.474 13.697 1.274
145 HB3 ARG 18 3HB ARG 18 1.425 13.070 2.539
146 HG2 ARG 18 2HG ARG 18 1.014 15.178 3.420
147 HG3 ARG 18 3HG ARG 18 2.435 15.883 2.646
148 HD2 ARG 18 2HD ARG 18 1.387 15.690 0.473
149 HD3 ARG 18 3HD ARG 18 -0.003 14.873 1.186
150 HE ARG 18 HE ARG 18 0.477 17.685 1.101
151 HH11 ARG 18 1HH1 ARG 18 -1.001 15.144 2.966
152 HH12 ARG 18 2HH1 ARG 18 -2.166 16.189 3.710
153 HH21 ARG 18 1HH2 ARG 18 -1.051 19.071 2.074
154 HH22 ARG 18 2HH2 ARG 18 -2.194 18.423 3.201
Start of MODEL 20
1 H1 VAL 1 H VAL 1 -0.424 0.590 -1.498
2 HA VAL 1 HA VAL 1 1.300 -1.074 -1.069
3 HB VAL 1 HB VAL 1 2.763 -1.709 -3.015
4 HG11 VAL 1 1HG1 VAL 1 0.809 -3.157 -4.060
5 HG12 VAL 1 2HG1 VAL 1 1.418 -3.457 -2.432
6 HG13 VAL 1 3HG1 VAL 1 -0.068 -2.536 -2.662
7 HG21 VAL 1 1HG2 VAL 1 0.540 -0.957 -4.845
8 HG22 VAL 1 2HG2 VAL 1 1.694 0.288 -4.368
9 HG23 VAL 1 3HG2 VAL 1 2.258 -1.171 -5.183
10 H ALA 2 H ALA 2 3.494 -0.558 -0.697
11 HA ALA 2 HA ALA 2 4.248 2.177 -1.499
12 HB1 ALA 2 1HB ALA 2 4.595 2.753 0.622
13 HB2 ALA 2 2HB ALA 2 3.766 1.263 1.075
14 HB3 ALA 2 3HB ALA 2 5.524 1.288 0.941
15 H ARG 3 H ARG 3 5.301 -1.113 -0.912
16 HA ARG 3 HA ARG 3 8.058 -0.793 -1.184
17 HB2 ARG 3 2HB ARG 3 8.062 -3.184 -1.892
18 HB3 ARG 3 3HB ARG 3 7.148 -2.883 -0.419
19 HG2 ARG 3 2HG ARG 3 5.119 -3.277 -1.436
20 HG3 ARG 3 3HG ARG 3 5.741 -2.922 -3.049
21 HD2 ARG 3 2HD ARG 3 6.963 -5.214 -1.644
22 HD3 ARG 3 3HD ARG 3 5.284 -5.411 -2.144
23 HE ARG 3 HE ARG 3 6.675 -4.403 -4.325
24 HH11 ARG 3 1HH1 ARG 3 6.670 -7.270 -2.349
25 HH12 ARG 3 2HH1 ARG 3 7.230 -8.305 -3.621
26 HH21 ARG 3 1HH2 ARG 3 7.413 -5.756 -6.007
27 HH22 ARG 3 2HH2 ARG 3 7.653 -7.442 -5.701
28 H GLY 4 H GLY 4 5.533 -0.669 -3.546
29 HA2 GLY 4 2HA GLY 4 7.575 -0.527 -5.679
30 HA3 GLY 4 3HA GLY 4 5.960 -1.170 -5.933
31 H TRP 5 H TRP 5 5.709 1.400 -3.860
32 HA TRP 5 HA TRP 5 5.094 3.228 -6.088
33 HB2 TRP 5 2HB TRP 5 3.278 2.304 -4.378
34 HB3 TRP 5 3HB TRP 5 3.886 3.630 -3.391
35 HD1 TRP 5 HD1 TRP 5 1.809 2.914 -6.486
36 HE1 TRP 5 HE1 TRP 5 0.714 5.101 -7.288
37 HE3 TRP 5 HE3 TRP 5 4.269 6.212 -3.452
38 HZ2 TRP 5 HZ2 TRP 5 0.873 7.859 -6.712
39 HZ3 TRP 5 HZ3 TRP 5 3.740 8.608 -3.641
40 HH2 TRP 5 HH2 TRP 5 2.077 9.412 -5.238
41 H GLY 6 H GLY 6 7.012 2.735 -3.314
42 HA2 GLY 6 2HA GLY 6 7.526 5.572 -2.887
43 HA3 GLY 6 3HA GLY 6 8.199 4.239 -1.959
44 H ARG 7 H ARG 7 8.895 2.921 -4.618
45 HA ARG 7 HA ARG 7 11.478 4.251 -4.887
46 HB2 ARG 7 2HB ARG 7 10.924 1.643 -4.644
47 HB3 ARG 7 3HB ARG 7 10.860 1.767 -6.397
48 HG2 ARG 7 2HG ARG 7 13.150 2.929 -6.176
49 HG3 ARG 7 3HG ARG 7 13.174 2.219 -4.560
50 HD2 ARG 7 2HD ARG 7 12.436 0.394 -6.753
51 HD3 ARG 7 3HD ARG 7 14.099 0.979 -6.774
52 HE ARG 7 HE ARG 7 13.491 0.110 -4.182
53 HH11 ARG 7 1HH1 ARG 7 13.948 -1.179 -7.384
54 HH12 ARG 7 2HH1 ARG 7 14.507 -2.721 -6.825
55 HH21 ARG 7 1HH2 ARG 7 14.226 -1.916 -3.434
56 HH22 ARG 7 2HH2 ARG 7 14.664 -3.139 -4.578
57 H LYS 8 H LYS 8 8.720 3.247 -6.863
58 HA LYS 8 HA LYS 8 9.741 4.064 -9.352
59 HB2 LYS 8 2HB LYS 8 7.867 2.646 -9.420
60 HB3 LYS 8 3HB LYS 8 6.958 3.647 -8.294
61 HG2 LYS 8 2HG LYS 8 6.207 5.018 -9.910
62 HG3 LYS 8 3HG LYS 8 7.721 4.955 -10.816
63 HD2 LYS 8 2HD LYS 8 6.818 2.410 -11.116
64 HD3 LYS 8 3HD LYS 8 5.299 3.306 -11.057
65 HE2 LYS 8 2HE LYS 8 7.608 3.729 -12.946
66 HE3 LYS 8 3HE LYS 8 5.991 3.149 -13.344
67 HZ1 LYS 8 1HZ LYS 8 6.937 5.843 -12.982
68 HZ2 LYS 8 2HZ LYS 8 5.499 5.520 -12.151
69 HZ3 LYS 8 3HZ LYS 8 5.582 5.275 -13.823
70 H CYS 9 H CYS 9 7.429 5.734 -7.207
71 HA CYS 9 HA CYS 9 8.169 8.258 -8.528
72 HB2 CYS 9 2HB CYS 9 5.620 7.152 -7.607
73 HB3 CYS 9 3HB CYS 9 5.898 8.802 -7.063
74 HG CYS 9 HG CYS 9 4.376 9.071 -9.313
75 HA PRO 10 HA PRO 10 10.026 8.551 -4.322
76 HB2 PRO 10 2HB PRO 10 12.212 9.931 -5.151
77 HB3 PRO 10 3HB PRO 10 12.114 8.167 -5.199
78 HG2 PRO 10 2HG PRO 10 11.696 10.148 -7.404
79 HG3 PRO 10 3HG PRO 10 12.576 8.609 -7.435
80 HD2 PRO 10 2HD PRO 10 10.062 8.870 -8.408
81 HD3 PRO 10 3HD PRO 10 10.648 7.367 -7.666
82 H LEU 11 H LEU 11 10.155 11.114 -6.805
83 HA LEU 11 HA LEU 11 10.153 13.284 -5.046
84 HB2 LEU 11 2HB LEU 11 9.856 14.626 -6.893
85 HB3 LEU 11 3HB LEU 11 10.561 13.173 -7.597
86 HG LEU 11 HG LEU 11 7.987 12.571 -7.936
87 HD11 LEU 11 1HD1 LEU 11 7.739 15.423 -8.602
88 HD12 LEU 11 2HD1 LEU 11 7.678 15.040 -6.882
89 HD13 LEU 11 3HD1 LEU 11 6.536 14.286 -7.994
90 HD21 LEU 11 1HD2 LEU 11 8.237 13.795 -10.199
91 HD22 LEU 11 2HD2 LEU 11 9.372 12.507 -9.795
92 HD23 LEU 11 3HD2 LEU 11 9.854 14.195 -9.620
93 H PHE 12 H PHE 12 7.640 11.132 -5.915
94 HA PHE 12 HA PHE 12 5.642 12.930 -4.708
95 HB2 PHE 12 2HB PHE 12 5.578 11.411 -7.137
96 HB3 PHE 12 3HB PHE 12 4.342 10.794 -6.046
97 HD1 PHE 12 HD1 PHE 12 4.358 12.548 -8.754
98 HD2 PHE 12 HD2 PHE 12 3.576 13.281 -4.635
99 HE1 PHE 12 HE1 PHE 12 2.887 14.422 -9.370
100 HE2 PHE 12 HE2 PHE 12 2.103 15.155 -5.244
101 HZ PHE 12 HZ PHE 12 1.756 15.728 -7.614
102 H GLY 13 H GLY 13 7.574 10.485 -3.901
103 HA2 GLY 13 2HA GLY 13 5.992 8.461 -2.834
104 HA3 GLY 13 3HA GLY 13 7.559 8.942 -2.202
105 H LYS 14 H LYS 14 4.097 9.611 -2.048
106 HA LYS 14 HA LYS 14 3.854 11.507 -0.152
107 HB2 LYS 14 2HB LYS 14 1.805 10.406 0.614
108 HB3 LYS 14 3HB LYS 14 1.937 10.350 -1.138
109 HG2 LYS 14 2HG LYS 14 1.359 8.200 -0.827
110 HG3 LYS 14 3HG LYS 14 3.087 8.005 -0.526
111 HD2 LYS 14 2HD LYS 14 2.443 8.564 1.935
112 HD3 LYS 14 3HD LYS 14 0.819 8.100 1.423
113 HE2 LYS 14 2HE LYS 14 3.308 6.404 1.250
114 HE3 LYS 14 3HE LYS 14 1.983 6.201 2.395
115 HZ1 LYS 14 1HZ LYS 14 1.852 5.861 -0.551
116 HZ2 LYS 14 2HZ LYS 14 0.506 5.811 0.473
117 HZ3 LYS 14 3HZ LYS 14 1.723 4.645 0.618
118 H ASN 15 H ASN 15 4.791 8.155 0.425
119 HA ASN 15 HA ASN 15 4.663 7.858 3.101
120 HB2 ASN 15 2HB ASN 15 6.606 6.412 2.990
121 HB3 ASN 15 3HB ASN 15 5.647 6.202 1.528
122 HD21 ASN 15 1HD2 ASN 15 6.465 6.845 -0.429
123 HD22 ASN 15 2HD2 ASN 15 8.113 7.314 -0.650
124 H LYS 16 H LYS 16 7.111 9.742 1.375
125 HA LYS 16 HA LYS 16 8.026 10.812 3.962
126 HB2 LYS 16 2HB LYS 16 9.657 9.592 2.372
127 HB3 LYS 16 3HB LYS 16 9.557 11.044 1.383
128 HG2 LYS 16 2HG LYS 16 10.430 12.388 3.173
129 HG3 LYS 16 3HG LYS 16 10.391 11.010 4.276
130 HD2 LYS 16 2HD LYS 16 11.881 9.987 2.269
131 HD3 LYS 16 3HD LYS 16 12.322 11.692 2.153
132 HE2 LYS 16 2HE LYS 16 13.551 11.595 4.013
133 HE3 LYS 16 3HE LYS 16 12.280 10.752 4.898
134 HZ1 LYS 16 1HZ LYS 16 13.414 8.985 3.037
135 HZ2 LYS 16 2HZ LYS 16 13.430 8.886 4.725
136 HZ3 LYS 16 3HZ LYS 16 14.669 9.705 3.914
137 H SER 17 H SER 17 7.064 11.653 0.675
138 HA SER 17 HA SER 17 7.491 14.379 0.683
139 HB2 SER 17 2HB SER 17 4.962 13.282 -0.499
140 HB3 SER 17 3HB SER 17 6.060 14.498 -1.150
141 HG SER 17 HG SER 17 7.530 12.874 -1.623
142 H ARG 18 H ARG 18 4.457 12.736 1.596
143 HA ARG 18 HA ARG 18 3.652 15.164 3.035
144 HB2 ARG 18 2HB ARG 18 2.137 12.856 1.862
145 HB3 ARG 18 3HB ARG 18 1.411 13.832 3.132
146 HG2 ARG 18 2HG ARG 18 2.547 15.479 1.045
147 HG3 ARG 18 3HG ARG 18 1.360 14.336 0.411
148 HD2 ARG 18 2HD ARG 18 -0.361 15.221 1.675
149 HD3 ARG 18 3HD ARG 18 0.736 15.907 2.873
150 HE ARG 18 HE ARG 18 1.154 17.168 0.394
151 HH11 ARG 18 1HH1 ARG 18 -1.201 16.960 2.949
152 HH12 ARG 18 2HH1 ARG 18 -1.829 18.552 2.677
153 HH21 ARG 18 1HH2 ARG 18 0.335 19.265 0.026
154 HH22 ARG 18 2HH2 ARG 18 -0.955 19.862 1.014