Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
637732 | 6dza RC | 30487 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HN GLY 1 -7.515 -1.811 1.014
2 HA2 GLY 1 HA2 GLY 1 -9.477 -2.669 -0.857
3 HA3 GLY 1 HA1 GLY 1 -8.133 -1.897 -1.697
4 H SER 2 HN SER 2 -5.925 -2.718 -1.111
5 HA SER 2 HA SER 2 -5.948 -5.568 -0.356
6 HB2 SER 2 HB2 SER 2 -4.379 -6.058 -2.172
7 HB3 SER 2 HB1 SER 2 -5.891 -5.419 -2.811
8 HG SER 2 HG SER 2 -3.376 -4.418 -2.965
9 H LYS 3 HN LYS 3 -3.112 -4.239 -1.662
10 HA LYS 3 HA LYS 3 -1.875 -4.216 1.004
11 HB2 LYS 3 HB2 LYS 3 -0.758 -4.447 -1.789
12 HB3 LYS 3 HB1 LYS 3 0.270 -4.154 -0.385
13 HG2 LYS 3 HG2 LYS 3 -1.686 -6.343 -0.049
14 HG3 LYS 3 HG1 LYS 3 -0.440 -6.643 -1.261
15 HD2 LYS 3 HD2 LYS 3 1.316 -6.169 0.361
16 HD3 LYS 3 HD1 LYS 3 0.115 -5.729 1.576
17 HE2 LYS 3 HE2 LYS 3 -0.809 -8.035 1.464
18 HE3 LYS 3 HE1 LYS 3 0.455 -8.465 0.311
19 HZ1 LYS 3 HZ1 LYS 3 1.575 -9.031 2.150
20 HZ2 LYS 3 HZ2 LYS 3 0.614 -8.074 3.174
21 HZ3 LYS 3 HZ3 LYS 3 1.882 -7.369 2.290
22 H ARG 4 HN ARG 4 -3.448 -2.034 0.631
23 HA ARG 4 HA ARG 4 -2.054 0.183 -0.524
24 HB2 ARG 4 HB2 ARG 4 -3.790 1.547 0.617
25 HB3 ARG 4 HB1 ARG 4 -4.478 0.231 -0.331
26 HG2 ARG 4 HG2 ARG 4 -5.426 -0.675 1.498
27 HG3 ARG 4 HG1 ARG 4 -3.895 -0.658 2.368
28 HD2 ARG 4 HD2 ARG 4 -4.235 1.693 2.974
29 HD3 ARG 4 HD1 ARG 4 -5.732 1.732 2.047
30 HE ARG 4 HE ARG 4 -5.652 -0.299 4.120
31 HH11 ARG 4 HH11 ARG 4 -7.156 -0.013 5.797
32 HH12 ARG 4 HH12 ARG 4 -7.980 1.500 5.966
33 HH21 ARG 4 HH21 ARG 4 -6.410 2.962 3.242
34 HH22 ARG 4 HH22 ARG 4 -7.558 3.184 4.519
35 H PHE 5 HN PHE 5 0.033 -0.364 0.627
36 HA PHE 5 HA PHE 5 0.465 1.483 2.746
37 HB2 PHE 5 HB2 PHE 5 0.629 0.163 4.625
38 HB3 PHE 5 HB1 PHE 5 -0.671 -0.678 3.785
39 HD1 PHE 5 HD1 PHE 5 0.662 -2.136 1.662
40 HD2 PHE 5 HD2 PHE 5 1.947 -1.450 5.704
41 HE1 PHE 5 HE1 PHE 5 2.043 -4.195 1.574
42 HE2 PHE 5 HE2 PHE 5 3.327 -3.507 5.614
43 HZ PHE 5 HZ PHE 5 3.375 -4.880 3.549
44 H ARG 6 HN ARG 6 2.723 0.711 3.880
45 HA ARG 6 HA ARG 6 4.771 1.229 2.197
46 HB2 ARG 6 HB2 ARG 6 4.524 0.267 4.822
47 HB3 ARG 6 HB1 ARG 6 5.605 -0.863 4.011
48 HG2 ARG 6 HG2 ARG 6 7.030 0.992 3.269
49 HG3 ARG 6 HG1 ARG 6 5.927 2.153 4.007
50 HD2 ARG 6 HD2 ARG 6 6.416 1.349 6.210
51 HD3 ARG 6 HD1 ARG 6 7.280 -0.050 5.575
52 HE ARG 6 HE ARG 6 8.387 2.526 4.805
53 HH11 ARG 6 HH11 ARG 6 10.482 2.933 5.586
54 HH12 ARG 6 HH12 ARG 6 11.149 1.921 6.824
55 HH21 ARG 6 HH21 ARG 6 8.341 -0.099 7.057
56 HH22 ARG 6 HH22 ARG 6 9.937 0.205 7.657
57 H PHE 7 HN PHE 7 6.021 0.189 0.718
58 HA PHE 7 HA PHE 7 5.803 -2.691 0.331
59 HB2 PHE 7 HB2 PHE 7 3.903 -1.433 -0.932
60 HB3 PHE 7 HB1 PHE 7 5.189 -0.966 -2.043
61 HD1 PHE 7 HD1 PHE 7 5.892 -2.449 -3.724
62 HD2 PHE 7 HD2 PHE 7 3.714 -3.957 -0.344
63 HE1 PHE 7 HE1 PHE 7 5.779 -4.682 -4.795
64 HE2 PHE 7 HE2 PHE 7 3.601 -6.191 -1.414
65 HZ PHE 7 HZ PHE 7 4.634 -6.554 -3.640
66 HA DPR 8 HA DPR 8 9.937 -2.093 -1.117
67 HB2 DPR 8 HB1 DPR 8 11.443 -0.994 0.890
68 HB3 DPR 8 HB2 DPR 8 10.878 -2.675 0.901
69 HG2 DPR 8 HG1 DPR 8 9.779 -0.281 2.300
70 HG3 DPR 8 HG2 DPR 8 9.969 -1.942 2.887
71 HD2 DPR 8 HD1 DPR 8 7.586 -0.905 2.008
72 HD3 DPR 8 HD2 DPR 8 7.994 -2.634 1.907
73 HA PRO 9 HA PRO 9 11.726 2.174 -1.624
74 HB2 PRO 9 HB2 PRO 9 11.667 1.178 -4.435
75 HB3 PRO 9 HB1 PRO 9 12.963 2.019 -3.563
76 HG2 PRO 9 HG2 PRO 9 13.076 -0.599 -4.048
77 HG3 PRO 9 HG1 PRO 9 13.709 0.104 -2.550
78 HD2 PRO 9 HD2 PRO 9 11.224 -1.490 -2.975
79 HD3 PRO 9 HD1 PRO 9 12.261 -1.376 -1.536
80 H GLU 10 HN GLU 10 8.855 0.688 -2.465
81 HA GLU 10 HA GLU 10 7.711 3.255 -3.345
82 HB2 GLU 10 HB2 GLU 10 6.238 1.925 -4.927
83 HB3 GLU 10 HB1 GLU 10 7.932 2.063 -5.404
84 HG2 GLU 10 HG2 GLU 10 8.417 -0.153 -4.560
85 HG3 GLU 10 HG1 GLU 10 6.803 -0.289 -3.865
86 H ILE 11 HN ILE 11 5.409 3.426 -2.956
87 HA ILE 11 HA ILE 11 4.239 1.408 -1.184
88 HB ILE 11 HB ILE 11 5.148 2.790 0.485
89 HG12 ILE 11 HG12 ILE 11 2.497 4.169 0.034
90 HG13 ILE 11 HG11 ILE 11 2.570 2.466 0.490
91 HG21 ILE 11 HG21 ILE 11 4.298 5.138 -1.238
92 HG22 ILE 11 HG22 ILE 11 5.951 4.586 -0.969
93 HG23 ILE 11 HG23 ILE 11 5.024 5.277 0.363
94 HD11 ILE 11 HD11 ILE 11 3.220 2.936 2.619
95 HD12 ILE 11 HD12 ILE 11 2.551 4.532 2.279
96 HD13 ILE 11 HD13 ILE 11 4.282 4.247 2.106
97 H ILE 12 HN ILE 12 1.996 1.424 -1.129
98 HA ILE 12 HA ILE 12 0.673 3.264 -3.034
99 HB ILE 12 HB ILE 12 0.694 1.128 -4.094
100 HG12 ILE 12 HG12 ILE 12 -1.972 1.036 -2.710
101 HG13 ILE 12 HG11 ILE 12 -1.567 2.428 -3.716
102 HG21 ILE 12 HG21 ILE 12 -0.637 -0.623 -2.348
103 HG22 ILE 12 HG22 ILE 12 0.574 0.182 -1.351
104 HG23 ILE 12 HG23 ILE 12 1.065 -0.684 -2.807
105 HD11 ILE 12 HD11 ILE 12 -1.060 -0.297 -4.834
106 HD12 ILE 12 HD12 ILE 12 -1.527 1.186 -5.664
107 HD13 ILE 12 HD13 ILE 12 -2.729 0.267 -4.758
108 H PHE 13 HN PHE 13 -0.937 4.423 -2.198
109 HA PHE 13 HA PHE 13 -2.473 3.389 0.067
110 HB2 PHE 13 HB2 PHE 13 -0.389 4.880 0.746
111 HB3 PHE 13 HB1 PHE 13 -1.482 6.194 0.309
112 HD1 PHE 13 HD1 PHE 13 -3.346 6.773 1.685
113 HD2 PHE 13 HD2 PHE 13 -1.093 3.206 2.490
114 HE1 PHE 13 HE1 PHE 13 -4.527 6.516 3.850
115 HE2 PHE 13 HE2 PHE 13 -2.274 2.949 4.656
116 HZ PHE 13 HZ PHE 13 -3.991 4.604 5.336
117 H ASN 14 HN ASN 14 -4.567 3.770 -0.263
118 HA ASN 14 HA ASN 14 -5.775 6.152 -0.956
119 HB2 ASN 14 HB2 ASN 14 -4.638 4.749 -3.271
120 HB3 ASN 14 HB1 ASN 14 -6.349 5.136 -3.443
121 HD21 ASN 14 HD21 ASN 14 -6.758 7.563 -2.434
122 HD22 ASN 14 HD22 ASN 14 -5.690 8.727 -3.056
123 H GLU 15 HN GLU 15 -7.247 5.301 0.534
124 HA GLU 15 HA GLU 15 -9.148 4.208 1.213
125 HB2 GLU 15 HB2 GLU 15 -9.428 4.679 -1.598
126 HB3 GLU 15 HB1 GLU 15 -10.138 3.112 -1.211
127 HG2 GLU 15 HG2 GLU 15 -10.729 5.677 0.292
128 HG3 GLU 15 HG1 GLU 15 -11.759 5.000 -0.969
129 H ARG 16 HN ARG 16 -9.230 2.326 2.240
130 HA ARG 16 HA ARG 16 -7.529 0.222 2.024
131 HB2 ARG 16 HB2 ARG 16 -9.509 -1.200 2.907
132 HB3 ARG 16 HB1 ARG 16 -8.960 0.162 3.881
133 HG2 ARG 16 HG2 ARG 16 -10.999 0.857 1.863
134 HG3 ARG 16 HG1 ARG 16 -11.563 -0.249 3.113
135 HD2 ARG 16 HD2 ARG 16 -11.110 1.277 4.845
136 HD3 ARG 16 HD1 ARG 16 -10.016 2.231 3.848
137 HE ARG 16 HE ARG 16 -12.337 2.565 2.542
138 HH11 ARG 16 HH11 ARG 16 -13.946 4.081 3.060
139 HH12 ARG 16 HH12 ARG 16 -14.121 4.627 4.694
140 HH21 ARG 16 HH21 ARG 16 -11.521 2.679 5.905
141 HH22 ARG 16 HH22 ARG 16 -12.748 3.834 6.304
Start of MODEL 2
1 H1 GLY 1 HN GLY 1 -8.843 0.212 -0.278
2 HA2 GLY 1 HA2 GLY 1 -7.878 -1.341 1.985
3 HA3 GLY 1 HA1 GLY 1 -9.047 -2.164 0.956
4 H SER 2 HN SER 2 -8.501 -2.605 -1.233
5 HA SER 2 HA SER 2 -7.027 -3.527 -2.757
6 HB2 SER 2 HB2 SER 2 -6.223 -1.827 -3.994
7 HB3 SER 2 HB1 SER 2 -6.860 -0.759 -2.747
8 HG SER 2 HG SER 2 -4.700 -1.412 -1.692
9 H LYS 3 HN LYS 3 -6.379 -3.806 0.206
10 HA LYS 3 HA LYS 3 -4.660 -4.564 1.544
11 HB2 LYS 3 HB2 LYS 3 -4.313 -5.863 -1.117
12 HB3 LYS 3 HB1 LYS 3 -3.023 -6.061 0.070
13 HG2 LYS 3 HG2 LYS 3 -4.462 -7.099 1.634
14 HG3 LYS 3 HG1 LYS 3 -5.912 -6.532 0.805
15 HD2 LYS 3 HD2 LYS 3 -5.353 -7.977 -1.132
16 HD3 LYS 3 HD1 LYS 3 -3.939 -8.573 -0.263
17 HE2 LYS 3 HE2 LYS 3 -5.470 -10.216 0.299
18 HE3 LYS 3 HE1 LYS 3 -5.739 -9.083 1.624
19 HZ1 LYS 3 HZ1 LYS 3 -7.422 -9.682 -0.683
20 HZ2 LYS 3 HZ2 LYS 3 -7.396 -8.070 -0.148
21 HZ3 LYS 3 HZ3 LYS 3 -7.861 -9.313 0.913
22 H ARG 4 HN ARG 4 -3.919 -2.284 1.727
23 HA ARG 4 HA ARG 4 -2.042 -0.980 0.237
24 HB2 ARG 4 HB2 ARG 4 -1.285 0.099 2.298
25 HB3 ARG 4 HB1 ARG 4 -3.039 -0.078 2.313
26 HG2 ARG 4 HG2 ARG 4 -2.227 -2.450 3.438
27 HG3 ARG 4 HG1 ARG 4 -1.015 -1.324 4.051
28 HD2 ARG 4 HD2 ARG 4 -2.775 -1.226 5.636
29 HD3 ARG 4 HD1 ARG 4 -2.984 0.215 4.644
30 HE ARG 4 HE ARG 4 -4.568 -1.558 3.375
31 HH11 ARG 4 HH11 ARG 4 -6.721 -2.021 3.933
32 HH12 ARG 4 HH12 ARG 4 -7.250 -1.811 5.569
33 HH21 ARG 4 HH21 ARG 4 -4.160 -0.728 6.710
34 HH22 ARG 4 HH22 ARG 4 -5.800 -1.080 7.141
35 H PHE 5 HN PHE 5 0.113 -1.113 -0.165
36 HA PHE 5 HA PHE 5 1.643 -3.245 1.193
37 HB2 PHE 5 HB2 PHE 5 0.775 -3.353 -1.454
38 HB3 PHE 5 HB1 PHE 5 2.457 -2.837 -1.566
39 HD1 PHE 5 HD1 PHE 5 4.269 -4.291 -0.910
40 HD2 PHE 5 HD2 PHE 5 0.183 -5.478 -0.316
41 HE1 PHE 5 HE1 PHE 5 5.013 -6.606 -0.421
42 HE2 PHE 5 HE2 PHE 5 0.928 -7.793 0.173
43 HZ PHE 5 HZ PHE 5 3.342 -8.357 0.120
44 H ARG 6 HN ARG 6 2.993 -2.032 2.407
45 HA ARG 6 HA ARG 6 4.255 0.349 1.279
46 HB2 ARG 6 HB2 ARG 6 3.551 -0.536 3.895
47 HB3 ARG 6 HB1 ARG 6 5.300 -0.318 3.849
48 HG2 ARG 6 HG2 ARG 6 5.032 1.948 2.976
49 HG3 ARG 6 HG1 ARG 6 3.282 1.738 2.903
50 HD2 ARG 6 HD2 ARG 6 4.272 2.967 4.962
51 HD3 ARG 6 HD1 ARG 6 3.061 1.720 5.245
52 HE ARG 6 HE ARG 6 5.813 0.786 5.307
53 HH11 ARG 6 HH11 ARG 6 6.499 -0.019 7.317
54 HH12 ARG 6 HH12 ARG 6 5.544 0.273 8.732
55 HH21 ARG 6 HH21 ARG 6 3.102 2.061 7.040
56 HH22 ARG 6 HH22 ARG 6 3.621 1.450 8.576
57 H PHE 7 HN PHE 7 6.435 0.553 0.861
58 HA PHE 7 HA PHE 7 8.340 -1.500 1.518
59 HB2 PHE 7 HB2 PHE 7 6.925 -2.360 -0.486
60 HB3 PHE 7 HB1 PHE 7 7.860 -1.198 -1.425
61 HD1 PHE 7 HD1 PHE 7 10.025 -1.738 -2.166
62 HD2 PHE 7 HD2 PHE 7 8.250 -3.994 1.030
63 HE1 PHE 7 HE1 PHE 7 11.937 -3.316 -2.218
64 HE2 PHE 7 HE2 PHE 7 10.162 -5.573 0.977
65 HZ PHE 7 HZ PHE 7 12.006 -5.234 -0.647
66 HA DPR 8 HA DPR 8 11.083 2.029 1.407
67 HB2 DPR 8 HB1 DPR 8 8.794 3.963 1.564
68 HB3 DPR 8 HB2 DPR 8 10.363 4.008 2.392
69 HG2 DPR 8 HG1 DPR 8 8.119 3.157 3.594
70 HG3 DPR 8 HG2 DPR 8 9.710 2.474 3.963
71 HD2 DPR 8 HD1 DPR 8 7.425 1.258 2.547
72 HD3 DPR 8 HD2 DPR 8 8.830 0.471 3.300
73 HA PRO 9 HA PRO 9 11.114 3.944 -2.636
74 HB2 PRO 9 HB2 PRO 9 12.321 1.951 -4.111
75 HB3 PRO 9 HB1 PRO 9 13.192 3.066 -3.043
76 HG2 PRO 9 HG2 PRO 9 12.336 0.260 -2.556
77 HG3 PRO 9 HG1 PRO 9 13.833 1.084 -2.087
78 HD2 PRO 9 HD2 PRO 9 11.807 0.636 -0.327
79 HD3 PRO 9 HD1 PRO 9 12.875 2.050 -0.211
80 H GLU 10 HN GLU 10 8.728 2.353 -1.804
81 HA GLU 10 HA GLU 10 7.288 2.357 -4.194
82 HB2 GLU 10 HB2 GLU 10 8.383 0.484 -5.058
83 HB3 GLU 10 HB1 GLU 10 8.539 -0.278 -3.475
84 HG2 GLU 10 HG2 GLU 10 6.286 -0.943 -3.432
85 HG3 GLU 10 HG1 GLU 10 5.819 0.234 -4.659
86 H ILE 11 HN ILE 11 5.256 2.656 -3.536
87 HA ILE 11 HA ILE 11 4.264 1.140 -1.219
88 HB ILE 11 HB ILE 11 5.004 3.336 -0.375
89 HG12 ILE 11 HG12 ILE 11 1.986 3.340 -0.512
90 HG13 ILE 11 HG11 ILE 11 2.861 2.109 0.399
91 HG21 ILE 11 HG21 ILE 11 4.182 4.278 -2.825
92 HG22 ILE 11 HG22 ILE 11 4.535 5.294 -1.427
93 HG23 ILE 11 HG23 ILE 11 2.873 4.814 -1.771
94 HD11 ILE 11 HD11 ILE 11 3.967 3.845 1.731
95 HD12 ILE 11 HD12 ILE 11 2.216 4.031 1.832
96 HD13 ILE 11 HD13 ILE 11 3.157 5.101 0.793
97 H ILE 12 HN ILE 12 2.079 0.699 -1.252
98 HA ILE 12 HA ILE 12 0.560 1.635 -3.608
99 HB ILE 12 HB ILE 12 0.616 -1.185 -2.504
100 HG12 ILE 12 HG12 ILE 12 1.513 -0.129 -5.203
101 HG13 ILE 12 HG11 ILE 12 2.615 -0.460 -3.866
102 HG21 ILE 12 HG21 ILE 12 -0.644 -1.101 -5.006
103 HG22 ILE 12 HG22 ILE 12 -1.297 0.284 -4.131
104 HG23 ILE 12 HG23 ILE 12 -1.429 -1.335 -3.444
105 HD11 ILE 12 HD11 ILE 12 2.574 -2.406 -5.314
106 HD12 ILE 12 HD12 ILE 12 0.811 -2.454 -5.264
107 HD13 ILE 12 HD13 ILE 12 1.744 -2.815 -3.812
108 H PHE 13 HN PHE 13 0.177 3.046 -1.445
109 HA PHE 13 HA PHE 13 -1.825 1.901 0.311
110 HB2 PHE 13 HB2 PHE 13 -0.101 4.210 0.306
111 HB3 PHE 13 HB1 PHE 13 -1.765 4.702 0.619
112 HD1 PHE 13 HD1 PHE 13 -2.567 4.569 2.811
113 HD2 PHE 13 HD2 PHE 13 0.661 2.007 1.594
114 HE1 PHE 13 HE1 PHE 13 -2.385 3.698 5.125
115 HE2 PHE 13 HE2 PHE 13 0.842 1.137 3.908
116 HZ PHE 13 HZ PHE 13 -0.681 1.982 5.674
117 H ASN 14 HN ASN 14 -3.999 2.360 0.338
118 HA ASN 14 HA ASN 14 -5.065 4.089 -1.798
119 HB2 ASN 14 HB2 ASN 14 -5.670 1.192 -1.308
120 HB3 ASN 14 HB1 ASN 14 -6.920 2.249 -1.962
121 HD21 ASN 14 HD21 ASN 14 -6.543 0.662 -3.899
122 HD22 ASN 14 HD22 ASN 14 -5.350 1.115 -5.019
123 H GLU 15 HN GLU 15 -7.179 4.910 -1.386
124 HA GLU 15 HA GLU 15 -7.704 5.280 1.449
125 HB2 GLU 15 HB2 GLU 15 -9.087 6.416 -0.995
126 HB3 GLU 15 HB1 GLU 15 -9.394 6.903 0.673
127 HG2 GLU 15 HG2 GLU 15 -7.465 8.108 0.814
128 HG3 GLU 15 HG1 GLU 15 -6.551 6.942 -0.141
129 H ARG 16 HN ARG 16 -8.115 2.698 1.093
130 HA ARG 16 HA ARG 16 -10.815 2.293 1.811
131 HB2 ARG 16 HB2 ARG 16 -11.454 2.575 -0.454
132 HB3 ARG 16 HB1 ARG 16 -10.074 1.646 -1.040
133 HG2 ARG 16 HG2 ARG 16 -11.023 -0.392 -0.465
134 HG3 ARG 16 HG1 ARG 16 -12.013 0.313 0.814
135 HD2 ARG 16 HD2 ARG 16 -13.330 -0.389 -1.208
136 HD3 ARG 16 HD1 ARG 16 -13.505 1.316 -0.802
137 HE ARG 16 HE ARG 16 -11.415 0.743 -2.736
138 HH11 ARG 16 HH11 ARG 16 -11.761 1.617 -4.804
139 HH12 ARG 16 HH12 ARG 16 -13.324 2.230 -5.229
140 HH21 ARG 16 HH21 ARG 16 -14.743 1.491 -2.153
141 HH22 ARG 16 HH22 ARG 16 -15.012 2.159 -3.728
Start of MODEL 3
1 H1 GLY 1 HN GLY 1 -9.594 -1.237 -1.561
2 HA2 GLY 1 HA2 GLY 1 -10.196 -3.299 -2.626
3 HA3 GLY 1 HA1 GLY 1 -10.282 -2.442 -4.163
4 H SER 2 HN SER 2 -7.809 -2.713 -1.601
5 HA SER 2 HA SER 2 -5.989 -4.335 -2.910
6 HB2 SER 2 HB2 SER 2 -5.585 -2.961 -4.717
7 HB3 SER 2 HB1 SER 2 -5.918 -1.489 -3.808
8 HG SER 2 HG SER 2 -3.578 -2.858 -4.166
9 H LYS 3 HN LYS 3 -5.617 -4.940 -0.788
10 HA LYS 3 HA LYS 3 -5.173 -3.547 1.476
11 HB2 LYS 3 HB2 LYS 3 -3.380 -5.296 2.029
12 HB3 LYS 3 HB1 LYS 3 -4.986 -5.898 1.617
13 HG2 LYS 3 HG2 LYS 3 -3.297 -5.528 -0.743
14 HG3 LYS 3 HG1 LYS 3 -2.603 -6.668 0.409
15 HD2 LYS 3 HD2 LYS 3 -4.735 -7.917 0.459
16 HD3 LYS 3 HD1 LYS 3 -5.420 -6.786 -0.709
17 HE2 LYS 3 HE2 LYS 3 -4.637 -8.187 -2.302
18 HE3 LYS 3 HE1 LYS 3 -3.039 -7.560 -1.901
19 HZ1 LYS 3 HZ1 LYS 3 -3.637 -10.123 -1.763
20 HZ2 LYS 3 HZ2 LYS 3 -4.092 -9.670 -0.190
21 HZ3 LYS 3 HZ3 LYS 3 -2.504 -9.398 -0.730
22 H ARG 4 HN ARG 4 -3.969 -1.853 2.002
23 HA ARG 4 HA ARG 4 -1.968 -0.716 0.409
24 HB2 ARG 4 HB2 ARG 4 -1.445 0.681 2.317
25 HB3 ARG 4 HB1 ARG 4 -3.193 0.456 2.251
26 HG2 ARG 4 HG2 ARG 4 -2.637 -1.625 3.814
27 HG3 ARG 4 HG1 ARG 4 -1.210 -0.661 4.193
28 HD2 ARG 4 HD2 ARG 4 -2.790 0.055 5.787
29 HD3 ARG 4 HD1 ARG 4 -2.867 1.295 4.540
30 HE ARG 4 HE ARG 4 -4.993 0.503 3.924
31 HH11 ARG 4 HH11 ARG 4 -6.889 -0.631 4.437
32 HH12 ARG 4 HH12 ARG 4 -6.850 -1.880 5.636
33 HH21 ARG 4 HH21 ARG 4 -3.465 -1.520 6.290
34 HH22 ARG 4 HH22 ARG 4 -4.915 -2.381 6.684
35 H PHE 5 HN PHE 5 0.081 -1.249 0.035
36 HA PHE 5 HA PHE 5 1.467 -2.980 1.994
37 HB2 PHE 5 HB2 PHE 5 0.657 -3.720 -0.585
38 HB3 PHE 5 HB1 PHE 5 2.387 -3.404 -0.713
39 HD1 PHE 5 HD1 PHE 5 -0.169 -5.274 1.264
40 HD2 PHE 5 HD2 PHE 5 3.978 -4.907 0.196
41 HE1 PHE 5 HE1 PHE 5 0.317 -7.426 2.398
42 HE2 PHE 5 HE2 PHE 5 4.461 -7.058 1.331
43 HZ PHE 5 HZ PHE 5 2.630 -8.317 2.432
44 H ARG 6 HN ARG 6 3.029 -1.772 2.851
45 HA ARG 6 HA ARG 6 4.368 0.270 1.244
46 HB2 ARG 6 HB2 ARG 6 3.687 0.059 3.959
47 HB3 ARG 6 HB1 ARG 6 5.444 -0.084 3.909
48 HG2 ARG 6 HG2 ARG 6 5.469 1.966 2.415
49 HG3 ARG 6 HG1 ARG 6 3.751 2.153 2.767
50 HD2 ARG 6 HD2 ARG 6 6.032 2.195 4.758
51 HD3 ARG 6 HD1 ARG 6 4.991 3.542 4.312
52 HE ARG 6 HE ARG 6 3.287 1.578 5.256
53 HH11 ARG 6 HH11 ARG 6 2.624 1.534 7.428
54 HH12 ARG 6 HH12 ARG 6 3.599 2.291 8.642
55 HH21 ARG 6 HH21 ARG 6 6.028 3.352 6.405
56 HH22 ARG 6 HH22 ARG 6 5.527 3.322 8.063
57 H PHE 7 HN PHE 7 6.148 -0.201 0.147
58 HA PHE 7 HA PHE 7 8.007 -2.230 1.211
59 HB2 PHE 7 HB2 PHE 7 6.342 -2.696 -0.919
60 HB3 PHE 7 HB1 PHE 7 7.809 -2.159 -1.723
61 HD1 PHE 7 HD1 PHE 7 6.762 -4.354 1.130
62 HD2 PHE 7 HD2 PHE 7 9.454 -3.766 -2.165
63 HE1 PHE 7 HE1 PHE 7 7.789 -6.566 1.576
64 HE2 PHE 7 HE2 PHE 7 10.482 -5.979 -1.719
65 HZ PHE 7 HZ PHE 7 9.649 -7.378 0.152
66 HA DPR 8 HA DPR 8 11.060 0.816 0.251
67 HB2 DPR 8 HB1 DPR 8 10.665 3.033 1.796
68 HB3 DPR 8 HB2 DPR 8 11.236 1.485 2.449
69 HG2 DPR 8 HG1 DPR 8 8.512 2.690 2.500
70 HG3 DPR 8 HG2 DPR 8 9.365 1.775 3.754
71 HD2 DPR 8 HD1 DPR 8 7.424 0.717 2.099
72 HD3 DPR 8 HD2 DPR 8 8.695 -0.246 2.884
73 HA PRO 9 HA PRO 9 9.962 4.793 -1.867
74 HB2 PRO 9 HB2 PRO 9 11.382 3.314 -4.038
75 HB3 PRO 9 HB1 PRO 9 11.568 4.998 -3.513
76 HG2 PRO 9 HG2 PRO 9 13.367 3.136 -2.888
77 HG3 PRO 9 HG1 PRO 9 12.951 4.447 -1.771
78 HD2 PRO 9 HD2 PRO 9 12.203 1.562 -1.648
79 HD3 PRO 9 HD1 PRO 9 12.449 2.723 -0.325
80 H GLU 10 HN GLU 10 9.044 1.590 -2.230
81 HA GLU 10 HA GLU 10 7.198 2.191 -4.459
82 HB2 GLU 10 HB2 GLU 10 8.111 -0.474 -3.347
83 HB3 GLU 10 HB1 GLU 10 6.982 -0.258 -4.686
84 HG2 GLU 10 HG2 GLU 10 8.741 -0.160 -6.082
85 HG3 GLU 10 HG1 GLU 10 9.219 1.347 -5.301
86 H ILE 11 HN ILE 11 5.746 3.337 -3.035
87 HA ILE 11 HA ILE 11 4.451 1.788 -0.921
88 HB ILE 11 HB ILE 11 5.001 4.145 -0.491
89 HG12 ILE 11 HG12 ILE 11 2.001 3.872 -0.767
90 HG13 ILE 11 HG11 ILE 11 2.916 2.981 0.450
91 HG21 ILE 11 HG21 ILE 11 4.528 4.676 -3.029
92 HG22 ILE 11 HG22 ILE 11 4.227 5.908 -1.804
93 HG23 ILE 11 HG23 ILE 11 2.886 4.967 -2.456
94 HD11 ILE 11 HD11 ILE 11 2.971 5.996 0.132
95 HD12 ILE 11 HD12 ILE 11 3.750 5.061 1.407
96 HD13 ILE 11 HD13 ILE 11 1.990 5.135 1.318
97 H ILE 12 HN ILE 12 2.266 1.232 -0.907
98 HA ILE 12 HA ILE 12 0.780 1.623 -3.422
99 HB ILE 12 HB ILE 12 0.739 -1.001 -1.942
100 HG12 ILE 12 HG12 ILE 12 2.545 -0.156 -4.232
101 HG13 ILE 12 HG11 ILE 12 3.061 -0.629 -2.612
102 HG21 ILE 12 HG21 ILE 12 -0.927 -0.032 -3.828
103 HG22 ILE 12 HG22 ILE 12 -0.514 -1.743 -3.719
104 HG23 ILE 12 HG23 ILE 12 0.323 -0.706 -4.875
105 HD11 ILE 12 HD11 ILE 12 3.312 -2.674 -3.614
106 HD12 ILE 12 HD12 ILE 12 2.125 -2.321 -4.869
107 HD13 ILE 12 HD13 ILE 12 1.590 -2.800 -3.259
108 H PHE 13 HN PHE 13 0.400 3.194 -1.238
109 HA PHE 13 HA PHE 13 -1.659 2.131 0.485
110 HB2 PHE 13 HB2 PHE 13 -0.168 4.681 0.213
111 HB3 PHE 13 HB1 PHE 13 -1.780 4.784 0.921
112 HD1 PHE 13 HD1 PHE 13 -1.394 5.088 3.231
113 HD2 PHE 13 HD2 PHE 13 0.704 1.996 1.111
114 HE1 PHE 13 HE1 PHE 13 -0.509 4.216 5.377
115 HE2 PHE 13 HE2 PHE 13 1.590 1.125 3.257
116 HZ PHE 13 HZ PHE 13 0.983 2.234 5.390
117 H ASN 14 HN ASN 14 -3.631 1.768 -0.299
118 HA ASN 14 HA ASN 14 -5.174 3.900 -1.438
119 HB2 ASN 14 HB2 ASN 14 -4.069 1.749 -3.201
120 HB3 ASN 14 HB1 ASN 14 -5.695 2.354 -3.512
121 HD21 ASN 14 HD21 ASN 14 -5.558 5.045 -3.082
122 HD22 ASN 14 HD22 ASN 14 -4.370 5.766 -4.058
123 H GLU 15 HN GLU 15 -6.409 3.323 0.424
124 HA GLU 15 HA GLU 15 -7.511 0.700 0.749
125 HB2 GLU 15 HB2 GLU 15 -8.059 3.385 1.994
126 HB3 GLU 15 HB1 GLU 15 -9.090 1.997 2.338
127 HG2 GLU 15 HG2 GLU 15 -7.108 0.708 3.061
128 HG3 GLU 15 HG1 GLU 15 -6.086 2.107 2.736
129 H ARG 16 HN ARG 16 -8.205 0.608 -1.586
130 HA ARG 16 HA ARG 16 -11.051 1.156 -1.723
131 HB2 ARG 16 HB2 ARG 16 -9.522 3.148 -2.681
132 HB3 ARG 16 HB1 ARG 16 -9.554 2.111 -4.106
133 HG2 ARG 16 HG2 ARG 16 -12.019 2.071 -4.031
134 HG3 ARG 16 HG1 ARG 16 -11.996 3.098 -2.596
135 HD2 ARG 16 HD2 ARG 16 -10.486 4.078 -4.966
136 HD3 ARG 16 HD1 ARG 16 -12.243 4.099 -5.081
137 HE ARG 16 HE ARG 16 -10.601 5.739 -3.322
138 HH11 ARG 16 HH11 ARG 16 -11.743 7.336 -2.180
139 HH12 ARG 16 HH12 ARG 16 -13.474 7.287 -2.130
140 HH21 ARG 16 HH21 ARG 16 -13.713 4.420 -4.065
141 HH22 ARG 16 HH22 ARG 16 -14.589 5.637 -3.198
Start of MODEL 4
1 H1 GLY 1 HN GLY 1 -9.440 0.983 -0.356
2 HA2 GLY 1 HA2 GLY 1 -10.234 -1.002 1.669
3 HA3 GLY 1 HA1 GLY 1 -11.209 -0.482 0.297
4 H SER 2 HN SER 2 -7.820 -1.543 0.366
5 HA SER 2 HA SER 2 -8.565 -3.919 -1.213
6 HB2 SER 2 HB2 SER 2 -6.657 -3.529 -2.698
7 HB3 SER 2 HB1 SER 2 -7.780 -2.174 -2.761
8 HG SER 2 HG SER 2 -5.191 -2.276 -1.908
9 H LYS 3 HN LYS 3 -5.284 -3.104 -0.935
10 HA LYS 3 HA LYS 3 -4.815 -4.505 1.558
11 HB2 LYS 3 HB2 LYS 3 -3.150 -6.018 0.066
12 HB3 LYS 3 HB1 LYS 3 -4.780 -6.527 0.505
13 HG2 LYS 3 HG2 LYS 3 -5.664 -5.728 -1.605
14 HG3 LYS 3 HG1 LYS 3 -4.109 -5.014 -2.033
15 HD2 LYS 3 HD2 LYS 3 -3.397 -6.972 -2.883
16 HD3 LYS 3 HD1 LYS 3 -3.736 -7.791 -1.358
17 HE2 LYS 3 HE2 LYS 3 -6.119 -8.000 -2.021
18 HE3 LYS 3 HE1 LYS 3 -5.741 -7.238 -3.566
19 HZ1 LYS 3 HZ1 LYS 3 -3.900 -9.271 -3.230
20 HZ2 LYS 3 HZ2 LYS 3 -5.207 -9.236 -4.315
21 HZ3 LYS 3 HZ3 LYS 3 -5.394 -9.934 -2.778
22 H ARG 4 HN ARG 4 -3.869 -2.440 2.022
23 HA ARG 4 HA ARG 4 -1.876 -1.149 0.580
24 HB2 ARG 4 HB2 ARG 4 -2.150 -1.362 3.588
25 HB3 ARG 4 HB1 ARG 4 -1.192 -0.156 2.729
26 HG2 ARG 4 HG2 ARG 4 -3.018 1.128 2.465
27 HG3 ARG 4 HG1 ARG 4 -3.822 -0.181 1.599
28 HD2 ARG 4 HD2 ARG 4 -3.711 0.054 4.618
29 HD3 ARG 4 HD1 ARG 4 -5.075 0.572 3.632
30 HE ARG 4 HE ARG 4 -4.285 -2.183 3.203
31 HH11 ARG 4 HH11 ARG 4 -5.818 -3.736 3.835
32 HH12 ARG 4 HH12 ARG 4 -7.148 -3.271 4.843
33 HH21 ARG 4 HH21 ARG 4 -6.181 0.053 5.041
34 HH22 ARG 4 HH22 ARG 4 -7.353 -1.126 5.526
35 H PHE 5 HN PHE 5 0.156 -1.622 0.069
36 HA PHE 5 HA PHE 5 1.636 -3.547 1.740
37 HB2 PHE 5 HB2 PHE 5 0.552 -4.245 -0.702
38 HB3 PHE 5 HB1 PHE 5 2.208 -3.806 -1.119
39 HD1 PHE 5 HD1 PHE 5 4.122 -4.857 0.195
40 HD2 PHE 5 HD2 PHE 5 0.073 -6.275 0.425
41 HE1 PHE 5 HE1 PHE 5 4.928 -7.009 1.129
42 HE2 PHE 5 HE2 PHE 5 0.880 -8.426 1.359
43 HZ PHE 5 HZ PHE 5 3.308 -8.794 1.710
44 H ARG 6 HN ARG 6 3.063 -2.097 2.576
45 HA ARG 6 HA ARG 6 4.279 -0.010 1.049
46 HB2 ARG 6 HB2 ARG 6 4.241 -0.924 3.796
47 HB3 ARG 6 HB1 ARG 6 5.877 -0.512 3.289
48 HG2 ARG 6 HG2 ARG 6 5.049 1.680 2.457
49 HG3 ARG 6 HG1 ARG 6 3.434 1.267 3.034
50 HD2 ARG 6 HD2 ARG 6 5.616 2.396 4.504
51 HD3 ARG 6 HD1 ARG 6 3.987 2.050 5.066
52 HE ARG 6 HE ARG 6 6.328 0.295 5.323
53 HH11 ARG 6 HH11 ARG 6 6.095 -1.328 6.882
54 HH12 ARG 6 HH12 ARG 6 4.549 -1.614 7.609
55 HH21 ARG 6 HH21 ARG 6 2.935 0.866 5.812
56 HH22 ARG 6 HH22 ARG 6 2.769 -0.375 7.006
57 H PHE 7 HN PHE 7 6.556 0.166 0.553
58 HA PHE 7 HA PHE 7 8.277 -2.134 0.626
59 HB2 PHE 7 HB2 PHE 7 6.705 -2.738 -1.215
60 HB3 PHE 7 HB1 PHE 7 7.226 -1.292 -2.078
61 HD1 PHE 7 HD1 PHE 7 9.153 -1.343 -3.425
62 HD2 PHE 7 HD2 PHE 7 8.548 -4.401 -0.471
63 HE1 PHE 7 HE1 PHE 7 11.128 -2.569 -4.290
64 HE2 PHE 7 HE2 PHE 7 10.523 -5.628 -1.336
65 HZ PHE 7 HZ PHE 7 11.812 -4.711 -3.245
66 HA DPR 8 HA DPR 8 11.226 1.108 0.030
67 HB2 DPR 8 HB1 DPR 8 10.946 2.970 2.017
68 HB3 DPR 8 HB2 DPR 8 11.619 1.350 2.286
69 HG2 DPR 8 HG1 DPR 8 8.877 2.393 2.828
70 HG3 DPR 8 HG2 DPR 8 9.885 1.310 3.803
71 HD2 DPR 8 HD1 DPR 8 7.826 0.449 2.199
72 HD3 DPR 8 HD2 DPR 8 9.240 -0.554 2.601
73 HA PRO 9 HA PRO 9 9.897 5.414 -1.093
74 HB2 PRO 9 HB2 PRO 9 11.198 4.496 -3.616
75 HB3 PRO 9 HB1 PRO 9 11.380 6.032 -2.749
76 HG2 PRO 9 HG2 PRO 9 13.260 4.144 -2.660
77 HG3 PRO 9 HG1 PRO 9 12.897 5.171 -1.262
78 HD2 PRO 9 HD2 PRO 9 12.227 2.301 -1.713
79 HD3 PRO 9 HD1 PRO 9 12.534 3.164 -0.190
80 H GLU 10 HN GLU 10 9.042 2.334 -2.089
81 HA GLU 10 HA GLU 10 6.950 3.354 -3.916
82 HB2 GLU 10 HB2 GLU 10 7.636 0.459 -3.862
83 HB3 GLU 10 HB1 GLU 10 7.152 1.478 -5.218
84 HG2 GLU 10 HG2 GLU 10 9.453 2.661 -4.807
85 HG3 GLU 10 HG1 GLU 10 9.865 1.171 -3.961
86 H ILE 11 HN ILE 11 5.164 3.628 -2.712
87 HA ILE 11 HA ILE 11 4.415 1.497 -0.805
88 HB ILE 11 HB ILE 11 4.736 3.770 0.160
89 HG12 ILE 11 HG12 ILE 11 1.785 3.209 0.235
90 HG13 ILE 11 HG11 ILE 11 2.902 2.004 0.872
91 HG21 ILE 11 HG21 ILE 11 2.228 4.718 -1.123
92 HG22 ILE 11 HG22 ILE 11 3.670 4.701 -2.137
93 HG23 ILE 11 HG23 ILE 11 3.657 5.628 -0.637
94 HD11 ILE 11 HD11 ILE 11 2.768 4.912 1.724
95 HD12 ILE 11 HD12 ILE 11 3.902 3.716 2.350
96 HD13 ILE 11 HD13 ILE 11 2.176 3.538 2.656
97 H ILE 12 HN ILE 12 2.327 0.649 -0.850
98 HA ILE 12 HA ILE 12 0.759 1.286 -3.281
99 HB ILE 12 HB ILE 12 1.033 -1.363 -1.839
100 HG12 ILE 12 HG12 ILE 12 1.847 -0.749 -4.677
101 HG13 ILE 12 HG11 ILE 12 2.952 -0.423 -3.340
102 HG21 ILE 12 HG21 ILE 12 -0.979 -1.774 -2.787
103 HG22 ILE 12 HG22 ILE 12 -0.127 -1.763 -4.332
104 HG23 ILE 12 HG23 ILE 12 -0.913 -0.296 -3.748
105 HD11 ILE 12 HD11 ILE 12 2.836 -2.817 -4.596
106 HD12 ILE 12 HD12 ILE 12 1.641 -3.089 -3.327
107 HD13 ILE 12 HD13 ILE 12 3.294 -2.645 -2.902
108 H PHE 13 HN PHE 13 0.231 2.848 -1.166
109 HA PHE 13 HA PHE 13 -1.808 1.712 0.539
110 HB2 PHE 13 HB2 PHE 13 -0.327 4.223 0.346
111 HB3 PHE 13 HB1 PHE 13 -2.030 4.463 0.736
112 HD1 PHE 13 HD1 PHE 13 0.411 1.739 1.597
113 HD2 PHE 13 HD2 PHE 13 -2.259 4.783 3.041
114 HE1 PHE 13 HE1 PHE 13 0.840 1.012 3.929
115 HE2 PHE 13 HE2 PHE 13 -1.829 4.053 5.371
116 HZ PHE 13 HZ PHE 13 -0.280 2.169 5.815
117 H ASN 14 HN ASN 14 -1.948 2.079 -2.575
118 HA ASN 14 HA ASN 14 -4.125 3.818 -3.094
119 HB2 ASN 14 HB2 ASN 14 -4.256 2.724 -5.245
120 HB3 ASN 14 HB1 ASN 14 -2.556 2.924 -4.824
121 HD21 ASN 14 HD21 ASN 14 -3.144 0.941 -6.675
122 HD22 ASN 14 HD22 ASN 14 -2.983 -0.592 -5.964
123 H GLU 15 HN GLU 15 -6.318 3.280 -3.573
124 HA GLU 15 HA GLU 15 -8.341 2.403 -2.896
125 HB2 GLU 15 HB2 GLU 15 -6.837 -0.154 -3.507
126 HB3 GLU 15 HB1 GLU 15 -8.590 -0.003 -3.381
127 HG2 GLU 15 HG2 GLU 15 -6.890 1.575 -5.331
128 HG3 GLU 15 HG1 GLU 15 -7.744 0.090 -5.744
129 H ARG 16 HN ARG 16 -7.654 3.198 -0.674
130 HA ARG 16 HA ARG 16 -6.559 1.784 1.367
131 HB2 ARG 16 HB2 ARG 16 -8.349 2.862 2.847
132 HB3 ARG 16 HB1 ARG 16 -7.376 3.952 1.859
133 HG2 ARG 16 HG2 ARG 16 -9.741 2.962 0.444
134 HG3 ARG 16 HG1 ARG 16 -10.148 3.864 1.905
135 HD2 ARG 16 HD2 ARG 16 -8.261 4.851 -0.253
136 HD3 ARG 16 HD1 ARG 16 -9.952 5.324 -0.113
137 HE ARG 16 HE ARG 16 -7.758 6.200 1.592
138 HH11 ARG 16 HH11 ARG 16 -8.306 7.835 3.070
139 HH12 ARG 16 HH12 ARG 16 -9.972 8.218 3.351
140 HH21 ARG 16 HH21 ARG 16 -11.169 5.844 1.125
141 HH22 ARG 16 HH22 ARG 16 -11.593 7.091 2.250
Start of MODEL 5
1 H1 GLY 1 HN GLY 1 -4.613 -1.326 -5.795
2 HA2 GLY 1 HA2 GLY 1 -7.444 -2.109 -6.162
3 HA3 GLY 1 HA1 GLY 1 -6.214 -3.130 -5.429
4 H SER 2 HN SER 2 -5.754 -2.916 -3.256
5 HA SER 2 HA SER 2 -6.383 -0.667 -1.670
6 HB2 SER 2 HB2 SER 2 -8.696 -1.140 -1.979
7 HB3 SER 2 HB1 SER 2 -8.448 -2.868 -1.747
8 HG SER 2 HG SER 2 -8.019 -2.498 0.401
9 H LYS 3 HN LYS 3 -4.386 -2.833 -2.105
10 HA LYS 3 HA LYS 3 -4.360 -4.113 0.548
11 HB2 LYS 3 HB2 LYS 3 -3.742 -5.086 -1.993
12 HB3 LYS 3 HB1 LYS 3 -2.173 -4.839 -1.225
13 HG2 LYS 3 HG2 LYS 3 -3.054 -6.078 0.788
14 HG3 LYS 3 HG1 LYS 3 -4.493 -6.468 -0.154
15 HD2 LYS 3 HD2 LYS 3 -3.008 -7.506 -1.889
16 HD3 LYS 3 HD1 LYS 3 -1.636 -7.237 -0.812
17 HE2 LYS 3 HE2 LYS 3 -3.387 -8.465 0.884
18 HE3 LYS 3 HE1 LYS 3 -3.798 -9.245 -0.644
19 HZ1 LYS 3 HZ1 LYS 3 -1.708 -9.899 0.968
20 HZ2 LYS 3 HZ2 LYS 3 -0.974 -8.980 -0.258
21 HZ3 LYS 3 HZ3 LYS 3 -1.888 -10.356 -0.656
22 H ARG 4 HN ARG 4 -3.469 -2.772 2.019
23 HA ARG 4 HA ARG 4 -1.498 -0.816 1.416
24 HB2 ARG 4 HB2 ARG 4 -2.651 -1.953 3.934
25 HB3 ARG 4 HB1 ARG 4 -1.209 -0.940 4.019
26 HG2 ARG 4 HG2 ARG 4 -2.315 0.933 3.139
27 HG3 ARG 4 HG1 ARG 4 -3.604 -0.042 2.434
28 HD2 ARG 4 HD2 ARG 4 -3.139 0.362 5.402
29 HD3 ARG 4 HD1 ARG 4 -4.381 1.169 4.448
30 HE ARG 4 HE ARG 4 -4.910 -1.441 3.980
31 HH11 ARG 4 HH11 ARG 4 -6.199 -2.758 5.309
32 HH12 ARG 4 HH12 ARG 4 -6.344 -2.398 6.997
33 HH21 ARG 4 HH21 ARG 4 -4.273 0.380 6.852
34 HH22 ARG 4 HH22 ARG 4 -5.254 -0.621 7.870
35 H PHE 5 HN PHE 5 0.090 -2.029 0.261
36 HA PHE 5 HA PHE 5 1.800 -3.714 1.986
37 HB2 PHE 5 HB2 PHE 5 0.701 -4.229 -0.569
38 HB3 PHE 5 HB1 PHE 5 2.429 -3.994 -0.806
39 HD1 PHE 5 HD1 PHE 5 -0.116 -5.934 1.069
40 HD2 PHE 5 HD2 PHE 5 4.036 -5.562 0.035
41 HE1 PHE 5 HE1 PHE 5 0.321 -8.184 2.017
42 HE2 PHE 5 HE2 PHE 5 4.474 -7.812 0.981
43 HZ PHE 5 HZ PHE 5 2.616 -9.122 1.972
44 H ARG 6 HN ARG 6 2.876 -1.886 2.847
45 HA ARG 6 HA ARG 6 4.134 0.103 1.278
46 HB2 ARG 6 HB2 ARG 6 3.945 -0.634 4.060
47 HB3 ARG 6 HB1 ARG 6 5.608 -0.222 3.651
48 HG2 ARG 6 HG2 ARG 6 4.859 1.905 2.667
49 HG3 ARG 6 HG1 ARG 6 3.184 1.489 3.031
50 HD2 ARG 6 HD2 ARG 6 5.410 1.912 5.042
51 HD3 ARG 6 HD1 ARG 6 4.037 2.979 4.762
52 HE ARG 6 HE ARG 6 2.818 0.655 5.393
53 HH11 ARG 6 HH11 ARG 6 2.388 -0.058 7.508
54 HH12 ARG 6 HH12 ARG 6 3.390 0.475 8.816
55 HH21 ARG 6 HH21 ARG 6 5.444 2.411 6.802
56 HH22 ARG 6 HH22 ARG 6 5.120 1.873 8.416
57 H PHE 7 HN PHE 7 6.344 0.346 0.728
58 HA PHE 7 HA PHE 7 8.177 -1.880 1.072
59 HB2 PHE 7 HB2 PHE 7 6.650 -2.399 -0.930
60 HB3 PHE 7 HB1 PHE 7 7.504 -1.094 -1.753
61 HD1 PHE 7 HD1 PHE 7 9.607 -1.478 -2.742
62 HD2 PHE 7 HD2 PHE 7 8.077 -4.265 0.145
63 HE1 PHE 7 HE1 PHE 7 11.492 -3.015 -3.229
64 HE2 PHE 7 HE2 PHE 7 9.962 -5.802 -0.340
65 HZ PHE 7 HZ PHE 7 11.669 -5.178 -2.027
66 HA DPR 8 HA DPR 8 10.877 1.668 1.078
67 HB2 DPR 8 HB1 DPR 8 8.989 3.837 1.788
68 HB3 DPR 8 HB2 DPR 8 10.465 3.307 2.615
69 HG2 DPR 8 HG1 DPR 8 8.011 2.798 3.572
70 HG3 DPR 8 HG2 DPR 8 9.367 1.678 3.790
71 HD2 DPR 8 HD1 DPR 8 7.041 1.518 1.900
72 HD3 DPR 8 HD2 DPR 8 7.879 0.217 2.773
73 HA PRO 9 HA PRO 9 10.839 4.651 -2.347
74 HB2 PRO 9 HB2 PRO 9 11.591 2.227 -3.918
75 HB3 PRO 9 HB1 PRO 9 12.335 3.836 -3.904
76 HG2 PRO 9 HG2 PRO 9 13.418 1.730 -2.640
77 HG3 PRO 9 HG1 PRO 9 13.584 3.393 -2.054
78 HD2 PRO 9 HD2 PRO 9 12.002 1.169 -0.919
79 HD3 PRO 9 HD1 PRO 9 12.580 2.658 -0.141
80 H GLU 10 HN GLU 10 8.980 1.828 -2.044
81 HA GLU 10 HA GLU 10 7.078 2.820 -4.068
82 HB2 GLU 10 HB2 GLU 10 8.086 -0.009 -3.752
83 HB3 GLU 10 HB1 GLU 10 6.583 0.376 -4.588
84 HG2 GLU 10 HG2 GLU 10 7.678 1.107 -6.423
85 HG3 GLU 10 HG1 GLU 10 8.797 2.069 -5.462
86 H ILE 11 HN ILE 11 4.922 2.561 -3.552
87 HA ILE 11 HA ILE 11 4.263 1.184 -1.039
88 HB ILE 11 HB ILE 11 4.651 3.583 -0.513
89 HG12 ILE 11 HG12 ILE 11 1.720 2.812 -0.395
90 HG13 ILE 11 HG11 ILE 11 2.949 2.166 0.692
91 HG21 ILE 11 HG21 ILE 11 2.171 4.301 -2.014
92 HG22 ILE 11 HG22 ILE 11 3.665 4.138 -2.938
93 HG23 ILE 11 HG23 ILE 11 3.568 5.299 -1.613
94 HD11 ILE 11 HD11 ILE 11 1.844 4.053 1.771
95 HD12 ILE 11 HD12 ILE 11 2.179 5.082 0.377
96 HD13 ILE 11 HD13 ILE 11 3.505 4.500 1.384
97 H ILE 12 HN ILE 12 2.373 0.118 -1.104
98 HA ILE 12 HA ILE 12 0.703 0.457 -3.518
99 HB ILE 12 HB ILE 12 0.782 -1.914 -1.641
100 HG12 ILE 12 HG12 ILE 12 2.223 -1.453 -4.275
101 HG13 ILE 12 HG11 ILE 12 2.985 -1.611 -2.692
102 HG21 ILE 12 HG21 ILE 12 0.007 -2.338 -4.418
103 HG22 ILE 12 HG22 ILE 12 -1.026 -1.144 -3.636
104 HG23 ILE 12 HG23 ILE 12 -0.861 -2.756 -2.942
105 HD11 ILE 12 HD11 ILE 12 2.048 -3.694 -4.503
106 HD12 ILE 12 HD12 ILE 12 1.355 -3.870 -2.890
107 HD13 ILE 12 HD13 ILE 12 3.106 -3.829 -3.098
108 H PHE 13 HN PHE 13 0.067 2.396 -1.970
109 HA PHE 13 HA PHE 13 -1.912 1.616 0.026
110 HB2 PHE 13 HB2 PHE 13 -0.315 3.972 -0.557
111 HB3 PHE 13 HB1 PHE 13 -2.007 4.384 -0.285
112 HD1 PHE 13 HD1 PHE 13 -2.338 5.083 1.921
113 HD2 PHE 13 HD2 PHE 13 0.280 1.760 1.144
114 HE1 PHE 13 HE1 PHE 13 -2.022 4.758 4.357
115 HE2 PHE 13 HE2 PHE 13 0.592 1.441 3.582
116 HZ PHE 13 HZ PHE 13 -0.558 2.939 5.188
117 H ASN 14 HN ASN 14 -3.929 3.233 -0.066
118 HA ASN 14 HA ASN 14 -5.764 2.346 -1.822
119 HB2 ASN 14 HB2 ASN 14 -6.386 3.862 -0.051
120 HB3 ASN 14 HB1 ASN 14 -5.482 5.177 -0.800
121 HD21 ASN 14 HD21 ASN 14 -6.277 5.811 -3.079
122 HD22 ASN 14 HD22 ASN 14 -7.943 5.704 -3.379
123 H GLU 15 HN GLU 15 -4.915 1.924 -3.874
124 HA GLU 15 HA GLU 15 -5.037 4.174 -5.707
125 HB2 GLU 15 HB2 GLU 15 -2.534 2.504 -5.403
126 HB3 GLU 15 HB1 GLU 15 -2.852 3.584 -6.761
127 HG2 GLU 15 HG2 GLU 15 -3.192 5.431 -5.017
128 HG3 GLU 15 HG1 GLU 15 -2.479 4.316 -3.854
129 H ARG 16 HN ARG 16 -3.284 1.372 -6.589
130 HA ARG 16 HA ARG 16 -4.897 0.670 -8.743
131 HB2 ARG 16 HB2 ARG 16 -2.490 -0.154 -7.977
132 HB3 ARG 16 HB1 ARG 16 -3.416 -1.495 -7.308
133 HG2 ARG 16 HG2 ARG 16 -3.514 -0.545 -10.188
134 HG3 ARG 16 HG1 ARG 16 -2.684 -1.989 -9.611
135 HD2 ARG 16 HD2 ARG 16 -5.651 -1.446 -9.685
136 HD3 ARG 16 HD1 ARG 16 -4.766 -2.777 -10.423
137 HE ARG 16 HE ARG 16 -5.601 -2.586 -7.640
138 HH11 ARG 16 HH11 ARG 16 -5.254 -4.467 -6.418
139 HH12 ARG 16 HH12 ARG 16 -4.248 -5.730 -7.047
140 HH21 ARG 16 HH21 ARG 16 -3.555 -4.065 -10.008
141 HH22 ARG 16 HH22 ARG 16 -3.287 -5.502 -9.080
Start of MODEL 6
1 H1 GLY 1 HN GLY 1 -3.913 -2.061 -5.515
2 HA2 GLY 1 HA2 GLY 1 -4.566 -4.655 -6.503
3 HA3 GLY 1 HA1 GLY 1 -3.649 -4.303 -5.042
4 H SER 2 HN SER 2 -4.887 -3.698 -3.106
5 HA SER 2 HA SER 2 -7.562 -3.746 -2.667
6 HB2 SER 2 HB2 SER 2 -8.147 -5.789 -3.514
7 HB3 SER 2 HB1 SER 2 -6.542 -6.467 -3.259
8 HG SER 2 HG SER 2 -8.492 -5.906 -1.267
9 H LYS 3 HN LYS 3 -4.408 -4.541 -1.671
10 HA LYS 3 HA LYS 3 -5.138 -3.974 1.119
11 HB2 LYS 3 HB2 LYS 3 -4.066 -6.493 0.077
12 HB3 LYS 3 HB1 LYS 3 -3.102 -5.815 1.391
13 HG2 LYS 3 HG2 LYS 3 -5.094 -5.642 2.803
14 HG3 LYS 3 HG1 LYS 3 -6.106 -6.233 1.484
15 HD2 LYS 3 HD2 LYS 3 -4.877 -8.366 1.481
16 HD3 LYS 3 HD1 LYS 3 -3.846 -7.780 2.787
17 HE2 LYS 3 HE2 LYS 3 -5.753 -9.240 3.559
18 HE3 LYS 3 HE1 LYS 3 -5.724 -7.641 4.300
19 HZ1 LYS 3 HZ1 LYS 3 -7.656 -7.113 3.367
20 HZ2 LYS 3 HZ2 LYS 3 -7.830 -8.760 2.987
21 HZ3 LYS 3 HZ3 LYS 3 -7.184 -7.686 1.842
22 H ARG 4 HN ARG 4 -4.036 -2.200 1.638
23 HA ARG 4 HA ARG 4 -1.965 -1.004 0.300
24 HB2 ARG 4 HB2 ARG 4 -1.464 0.201 2.356
25 HB3 ARG 4 HB1 ARG 4 -3.210 0.018 2.188
26 HG2 ARG 4 HG2 ARG 4 -2.684 -2.238 3.557
27 HG3 ARG 4 HG1 ARG 4 -1.355 -1.238 4.146
28 HD2 ARG 4 HD2 ARG 4 -2.979 0.537 4.745
29 HD3 ARG 4 HD1 ARG 4 -4.294 -0.502 4.205
30 HE ARG 4 HE ARG 4 -2.757 -0.780 6.661
31 HH11 ARG 4 HH11 ARG 4 -3.538 -2.364 8.090
32 HH12 ARG 4 HH12 ARG 4 -4.717 -3.510 7.543
33 HH21 ARG 4 HH21 ARG 4 -4.873 -2.216 4.330
34 HH22 ARG 4 HH22 ARG 4 -5.472 -3.427 5.416
35 H PHE 5 HN PHE 5 0.155 -1.343 0.030
36 HA PHE 5 HA PHE 5 1.544 -3.205 1.846
37 HB2 PHE 5 HB2 PHE 5 0.718 -3.953 -0.680
38 HB3 PHE 5 HB1 PHE 5 2.386 -3.446 -0.945
39 HD1 PHE 5 HD1 PHE 5 4.243 -4.642 0.045
40 HD2 PHE 5 HD2 PHE 5 0.190 -5.770 0.913
41 HE1 PHE 5 HE1 PHE 5 5.050 -6.754 1.064
42 HE2 PHE 5 HE2 PHE 5 0.997 -7.884 1.931
43 HZ PHE 5 HZ PHE 5 3.426 -8.374 2.007
44 H ARG 6 HN ARG 6 2.971 -1.852 2.777
45 HA ARG 6 HA ARG 6 4.242 0.281 1.286
46 HB2 ARG 6 HB2 ARG 6 3.818 -0.409 4.056
47 HB3 ARG 6 HB1 ARG 6 5.517 -0.041 3.771
48 HG2 ARG 6 HG2 ARG 6 4.931 2.098 2.757
49 HG3 ARG 6 HG1 ARG 6 3.214 1.720 2.885
50 HD2 ARG 6 HD2 ARG 6 5.137 2.048 5.204
51 HD3 ARG 6 HD1 ARG 6 3.900 3.204 4.717
52 HE ARG 6 HE ARG 6 2.469 0.932 5.136
53 HH11 ARG 6 HH11 ARG 6 1.622 0.321 7.152
54 HH12 ARG 6 HH12 ARG 6 2.384 0.869 8.608
55 HH21 ARG 6 HH21 ARG 6 4.859 2.650 6.956
56 HH22 ARG 6 HH22 ARG 6 4.218 2.187 8.497
57 H PHE 7 HN PHE 7 6.357 0.373 0.630
58 HA PHE 7 HA PHE 7 8.188 -1.810 1.274
59 HB2 PHE 7 HB2 PHE 7 6.837 -2.521 -0.736
60 HB3 PHE 7 HB1 PHE 7 7.561 -1.170 -1.609
61 HD1 PHE 7 HD1 PHE 7 9.653 -1.426 -2.642
62 HD2 PHE 7 HD2 PHE 7 8.477 -4.157 0.458
63 HE1 PHE 7 HE1 PHE 7 11.678 -2.790 -3.075
64 HE2 PHE 7 HE2 PHE 7 10.503 -5.522 0.025
65 HZ PHE 7 HZ PHE 7 12.104 -4.837 -1.742
66 HA DPR 8 HA DPR 8 10.883 1.766 1.304
67 HB2 DPR 8 HB1 DPR 8 8.888 3.956 1.530
68 HB3 DPR 8 HB2 DPR 8 10.296 3.601 2.548
69 HG2 DPR 8 HG1 DPR 8 7.806 3.105 3.364
70 HG3 DPR 8 HG2 DPR 8 9.157 2.039 3.789
71 HD2 DPR 8 HD1 DPR 8 6.990 1.660 1.743
72 HD3 DPR 8 HD2 DPR 8 7.757 0.460 2.808
73 HA PRO 9 HA PRO 9 11.416 4.214 -2.451
74 HB2 PRO 9 HB2 PRO 9 11.915 1.520 -3.652
75 HB3 PRO 9 HB1 PRO 9 12.853 3.016 -3.819
76 HG2 PRO 9 HG2 PRO 9 13.616 1.015 -2.206
77 HG3 PRO 9 HG1 PRO 9 13.942 2.716 -1.837
78 HD2 PRO 9 HD2 PRO 9 12.067 0.858 -0.517
79 HD3 PRO 9 HD1 PRO 9 12.753 2.384 0.080
80 H GLU 10 HN GLU 10 9.253 1.590 -2.063
81 HA GLU 10 HA GLU 10 7.507 2.684 -4.162
82 HB2 GLU 10 HB2 GLU 10 7.965 -0.283 -3.799
83 HB3 GLU 10 HB1 GLU 10 6.989 0.502 -5.040
84 HG2 GLU 10 HG2 GLU 10 9.290 1.752 -5.541
85 HG3 GLU 10 HG1 GLU 10 9.961 0.295 -4.812
86 H ILE 11 HN ILE 11 5.310 2.510 -3.738
87 HA ILE 11 HA ILE 11 4.408 1.035 -1.391
88 HB ILE 11 HB ILE 11 4.984 3.033 -0.267
89 HG12 ILE 11 HG12 ILE 11 2.124 3.597 -1.064
90 HG13 ILE 11 HG11 ILE 11 2.541 2.199 -0.071
91 HG21 ILE 11 HG21 ILE 11 4.162 5.270 -1.220
92 HG22 ILE 11 HG22 ILE 11 3.880 4.398 -2.726
93 HG23 ILE 11 HG23 ILE 11 5.509 4.505 -2.061
94 HD11 ILE 11 HD11 ILE 11 3.581 3.650 1.594
95 HD12 ILE 11 HD12 ILE 11 1.927 4.186 1.300
96 HD13 ILE 11 HD13 ILE 11 3.280 5.063 0.584
97 H ILE 12 HN ILE 12 2.137 0.767 -1.313
98 HA ILE 12 HA ILE 12 0.618 1.769 -3.626
99 HB ILE 12 HB ILE 12 1.370 -0.474 -4.253
100 HG12 ILE 12 HG12 ILE 12 -1.437 -1.038 -3.462
101 HG13 ILE 12 HG11 ILE 12 -1.181 0.452 -4.371
102 HG21 ILE 12 HG21 ILE 12 1.040 -0.974 -1.491
103 HG22 ILE 12 HG22 ILE 12 1.580 -2.112 -2.725
104 HG23 ILE 12 HG23 ILE 12 -0.132 -1.999 -2.317
105 HD11 ILE 12 HD11 ILE 12 0.069 -2.126 -5.296
106 HD12 ILE 12 HD12 ILE 12 -0.313 -0.684 -6.235
107 HD13 ILE 12 HD13 ILE 12 -1.607 -1.752 -5.697
108 H PHE 13 HN PHE 13 0.011 3.150 -1.685
109 HA PHE 13 HA PHE 13 -1.787 1.869 0.221
110 HB2 PHE 13 HB2 PHE 13 -0.286 4.351 0.072
111 HB3 PHE 13 HB1 PHE 13 -1.962 4.636 0.541
112 HD1 PHE 13 HD1 PHE 13 0.498 1.873 1.195
113 HD2 PHE 13 HD2 PHE 13 -2.179 4.793 2.861
114 HE1 PHE 13 HE1 PHE 13 0.996 1.032 3.474
115 HE2 PHE 13 HE2 PHE 13 -1.681 3.950 5.137
116 HZ PHE 13 HZ PHE 13 -0.093 2.070 5.445
117 H ASN 14 HN ASN 14 -2.127 2.650 -2.877
118 HA ASN 14 HA ASN 14 -4.605 4.151 -2.769
119 HB2 ASN 14 HB2 ASN 14 -3.602 2.702 -5.200
120 HB3 ASN 14 HB1 ASN 14 -4.501 4.215 -5.101
121 HD21 ASN 14 HD21 ASN 14 -2.128 4.168 -6.608
122 HD22 ASN 14 HD22 ASN 14 -0.927 5.054 -5.798
123 H GLU 15 HN GLU 15 -6.194 2.989 -4.629
124 HA GLU 15 HA GLU 15 -7.003 0.475 -3.302
125 HB2 GLU 15 HB2 GLU 15 -8.865 1.945 -5.102
126 HB3 GLU 15 HB1 GLU 15 -9.198 1.065 -3.610
127 HG2 GLU 15 HG2 GLU 15 -9.480 3.299 -2.955
128 HG3 GLU 15 HG1 GLU 15 -7.821 2.958 -2.464
129 H ARG 16 HN ARG 16 -4.958 0.397 -5.232
130 HA ARG 16 HA ARG 16 -6.135 -0.401 -7.766
131 HB2 ARG 16 HB2 ARG 16 -3.716 0.655 -7.126
132 HB3 ARG 16 HB1 ARG 16 -3.308 -1.058 -7.208
133 HG2 ARG 16 HG2 ARG 16 -3.018 -0.334 -9.429
134 HG3 ARG 16 HG1 ARG 16 -4.631 -1.047 -9.444
135 HD2 ARG 16 HD2 ARG 16 -5.255 0.933 -10.366
136 HD3 ARG 16 HD1 ARG 16 -5.197 1.527 -8.710
137 HE ARG 16 HE ARG 16 -2.655 1.903 -9.495
138 HH11 ARG 16 HH11 ARG 16 -1.879 3.691 -10.660
139 HH12 ARG 16 HH12 ARG 16 -2.946 4.563 -11.710
140 HH21 ARG 16 HH21 ARG 16 -5.690 2.558 -11.026
141 HH22 ARG 16 HH22 ARG 16 -5.102 3.923 -11.917
Start of MODEL 7
1 H1 GLY 1 HN GLY 1 -8.899 0.264 1.223
2 HA2 GLY 1 HA2 GLY 1 -8.555 -2.000 -0.124
3 HA3 GLY 1 HA1 GLY 1 -7.249 -1.037 -0.809
4 H SER 2 HN SER 2 -8.393 -2.734 2.004
5 HA SER 2 HA SER 2 -6.420 -1.866 3.850
6 HB2 SER 2 HB2 SER 2 -7.099 -4.469 4.572
7 HB3 SER 2 HB1 SER 2 -7.872 -2.991 5.137
8 HG SER 2 HG SER 2 -9.532 -3.420 3.917
9 H LYS 3 HN LYS 3 -5.850 -3.227 0.998
10 HA LYS 3 HA LYS 3 -3.957 -5.282 1.787
11 HB2 LYS 3 HB2 LYS 3 -4.631 -4.060 -0.898
12 HB3 LYS 3 HB1 LYS 3 -3.465 -5.364 -0.666
13 HG2 LYS 3 HG2 LYS 3 -5.139 -6.864 0.115
14 HG3 LYS 3 HG1 LYS 3 -6.309 -5.563 0.338
15 HD2 LYS 3 HD2 LYS 3 -5.249 -5.791 -2.406
16 HD3 LYS 3 HD1 LYS 3 -6.202 -7.176 -1.875
17 HE2 LYS 3 HE2 LYS 3 -7.166 -4.336 -1.507
18 HE3 LYS 3 HE1 LYS 3 -7.501 -5.257 -2.973
19 HZ1 LYS 3 HZ1 LYS 3 -8.859 -6.695 -1.878
20 HZ2 LYS 3 HZ2 LYS 3 -9.122 -5.308 -0.931
21 HZ3 LYS 3 HZ3 LYS 3 -8.059 -6.519 -0.392
22 H ARG 4 HN ARG 4 -3.634 -2.397 2.610
23 HA ARG 4 HA ARG 4 -1.710 -0.958 1.341
24 HB2 ARG 4 HB2 ARG 4 -2.197 -1.514 4.244
25 HB3 ARG 4 HB1 ARG 4 -0.781 -0.576 3.771
26 HG2 ARG 4 HG2 ARG 4 -2.133 1.077 2.679
27 HG3 ARG 4 HG1 ARG 4 -3.575 0.071 2.807
28 HD2 ARG 4 HD2 ARG 4 -2.174 0.728 5.347
29 HD3 ARG 4 HD1 ARG 4 -3.033 2.046 4.555
30 HE ARG 4 HE ARG 4 -4.567 -0.405 4.831
31 HH11 ARG 4 HH11 ARG 4 -6.392 -0.243 6.174
32 HH12 ARG 4 HH12 ARG 4 -6.581 1.134 7.207
33 HH21 ARG 4 HH21 ARG 4 -3.621 2.632 6.194
34 HH22 ARG 4 HH22 ARG 4 -5.012 2.762 7.219
35 H PHE 5 HN PHE 5 0.162 -1.520 0.435
36 HA PHE 5 HA PHE 5 1.853 -3.516 1.815
37 HB2 PHE 5 HB2 PHE 5 0.615 -3.740 -0.732
38 HB3 PHE 5 HB1 PHE 5 2.346 -3.546 -0.997
39 HD1 PHE 5 HD1 PHE 5 3.940 -5.018 0.417
40 HD2 PHE 5 HD2 PHE 5 -0.260 -5.806 -0.036
41 HE1 PHE 5 HE1 PHE 5 4.305 -7.370 1.116
42 HE2 PHE 5 HE2 PHE 5 0.106 -8.158 0.664
43 HZ PHE 5 HZ PHE 5 2.388 -8.939 1.240
44 H ARG 6 HN ARG 6 3.313 -2.126 2.703
45 HA ARG 6 HA ARG 6 4.464 0.052 1.174
46 HB2 ARG 6 HB2 ARG 6 4.240 -0.662 3.929
47 HB3 ARG 6 HB1 ARG 6 5.952 -0.483 3.545
48 HG2 ARG 6 HG2 ARG 6 5.489 1.728 2.536
49 HG3 ARG 6 HG1 ARG 6 3.783 1.554 2.949
50 HD2 ARG 6 HD2 ARG 6 4.844 1.083 5.372
51 HD3 ARG 6 HD1 ARG 6 6.117 2.106 4.716
52 HE ARG 6 HE ARG 6 3.880 3.521 4.143
53 HH11 ARG 6 HH11 ARG 6 2.893 4.990 5.568
54 HH12 ARG 6 HH12 ARG 6 3.084 4.789 7.277
55 HH21 ARG 6 HH21 ARG 6 5.061 1.955 6.993
56 HH22 ARG 6 HH22 ARG 6 4.310 3.071 8.085
57 H PHE 7 HN PHE 7 6.545 0.158 0.363
58 HA PHE 7 HA PHE 7 8.358 -2.103 0.711
59 HB2 PHE 7 HB2 PHE 7 6.738 -2.570 -1.235
60 HB3 PHE 7 HB1 PHE 7 7.620 -1.305 -2.090
61 HD1 PHE 7 HD1 PHE 7 9.675 -1.772 -3.135
62 HD2 PHE 7 HD2 PHE 7 8.119 -4.490 -0.196
63 HE1 PHE 7 HE1 PHE 7 11.484 -3.383 -3.667
64 HE2 PHE 7 HE2 PHE 7 9.928 -6.102 -0.728
65 HZ PHE 7 HZ PHE 7 11.611 -5.548 -2.464
66 HA DPR 8 HA DPR 8 11.269 1.190 0.203
67 HB2 DPR 8 HB1 DPR 8 10.861 3.145 2.050
68 HB3 DPR 8 HB2 DPR 8 11.454 1.526 2.465
69 HG2 DPR 8 HG1 DPR 8 8.736 2.696 2.748
70 HG3 DPR 8 HG2 DPR 8 9.602 1.575 3.810
71 HD2 DPR 8 HD1 DPR 8 7.627 0.860 1.987
72 HD3 DPR 8 HD2 DPR 8 8.835 -0.255 2.660
73 HA PRO 9 HA PRO 9 9.912 5.033 -1.758
74 HB2 PRO 9 HB2 PRO 9 10.783 4.561 -4.287
75 HB3 PRO 9 HB1 PRO 9 11.887 4.981 -2.962
76 HG2 PRO 9 HG2 PRO 9 11.299 2.325 -4.164
77 HG3 PRO 9 HG1 PRO 9 12.838 2.994 -3.595
78 HD2 PRO 9 HD2 PRO 9 11.307 1.214 -2.141
79 HD3 PRO 9 HD1 PRO 9 12.458 2.360 -1.418
80 H GLU 10 HN GLU 10 8.822 1.910 -2.395
81 HA GLU 10 HA GLU 10 6.596 2.917 -4.063
82 HB2 GLU 10 HB2 GLU 10 7.818 1.434 -5.441
83 HB3 GLU 10 HB1 GLU 10 8.080 0.295 -4.121
84 HG2 GLU 10 HG2 GLU 10 5.265 0.937 -4.898
85 HG3 GLU 10 HG1 GLU 10 6.201 -0.133 -5.936
86 H ILE 11 HN ILE 11 4.632 2.746 -3.172
87 HA ILE 11 HA ILE 11 4.149 0.655 -1.163
88 HB ILE 11 HB ILE 11 3.287 2.134 0.455
89 HG12 ILE 11 HG12 ILE 11 3.279 4.153 -1.798
90 HG13 ILE 11 HG11 ILE 11 1.914 3.597 -0.829
91 HG21 ILE 11 HG21 ILE 11 5.552 3.775 -0.680
92 HG22 ILE 11 HG22 ILE 11 5.837 2.184 0.026
93 HG23 ILE 11 HG23 ILE 11 5.156 3.475 1.013
94 HD11 ILE 11 HD11 ILE 11 4.154 5.445 -0.022
95 HD12 ILE 11 HD12 ILE 11 3.201 4.582 1.187
96 HD13 ILE 11 HD13 ILE 11 2.413 5.711 0.084
97 H ILE 12 HN ILE 12 2.095 -0.153 -1.156
98 HA ILE 12 HA ILE 12 0.328 0.813 -3.306
99 HB ILE 12 HB ILE 12 -0.033 -1.771 -1.813
100 HG12 ILE 12 HG12 ILE 12 1.831 -1.226 -4.145
101 HG13 ILE 12 HG11 ILE 12 2.302 -1.775 -2.536
102 HG21 ILE 12 HG21 ILE 12 -1.437 -2.309 -3.546
103 HG22 ILE 12 HG22 ILE 12 -0.468 -1.439 -4.736
104 HG23 ILE 12 HG23 ILE 12 -1.564 -0.554 -3.674
105 HD11 ILE 12 HD11 ILE 12 0.473 -3.676 -3.162
106 HD12 ILE 12 HD12 ILE 12 2.193 -3.840 -3.513
107 HD13 ILE 12 HD13 ILE 12 1.083 -3.297 -4.772
108 H PHE 13 HN PHE 13 0.006 2.587 -1.537
109 HA PHE 13 HA PHE 13 -2.036 1.761 0.415
110 HB2 PHE 13 HB2 PHE 13 -0.144 4.061 0.193
111 HB3 PHE 13 HB1 PHE 13 -1.666 4.311 1.046
112 HD1 PHE 13 HD1 PHE 13 0.744 1.434 0.788
113 HD2 PHE 13 HD2 PHE 13 -1.383 4.146 3.357
114 HE1 PHE 13 HE1 PHE 13 1.669 0.279 2.777
115 HE2 PHE 13 HE2 PHE 13 -0.458 2.989 5.343
116 HZ PHE 13 HZ PHE 13 1.068 1.056 5.054
117 H ASN 14 HN ASN 14 -3.924 3.200 0.681
118 HA ASN 14 HA ASN 14 -4.726 5.079 -1.257
119 HB2 ASN 14 HB2 ASN 14 -4.855 3.377 -2.893
120 HB3 ASN 14 HB1 ASN 14 -5.558 2.226 -1.758
121 HD21 ASN 14 HD21 ASN 14 -6.332 5.512 -3.060
122 HD22 ASN 14 HD22 ASN 14 -7.994 5.206 -3.221
123 H GLU 15 HN GLU 15 -7.068 5.606 -1.075
124 HA GLU 15 HA GLU 15 -7.878 5.473 1.693
125 HB2 GLU 15 HB2 GLU 15 -9.441 6.608 -0.631
126 HB3 GLU 15 HB1 GLU 15 -9.607 7.011 1.079
127 HG2 GLU 15 HG2 GLU 15 -8.185 8.717 0.645
128 HG3 GLU 15 HG1 GLU 15 -6.927 7.482 0.608
129 H ARG 16 HN ARG 16 -8.029 3.225 -0.593
130 HA ARG 16 HA ARG 16 -10.291 1.898 0.628
131 HB2 ARG 16 HB2 ARG 16 -11.082 3.430 -1.368
132 HB3 ARG 16 HB1 ARG 16 -10.426 2.132 -2.358
133 HG2 ARG 16 HG2 ARG 16 -12.497 1.217 -2.097
134 HG3 ARG 16 HG1 ARG 16 -11.857 0.680 -0.547
135 HD2 ARG 16 HD2 ARG 16 -13.367 3.275 -0.994
136 HD3 ARG 16 HD1 ARG 16 -14.068 1.805 -0.331
137 HE ARG 16 HE ARG 16 -12.468 3.698 1.100
138 HH11 ARG 16 HH11 ARG 16 -11.941 3.174 3.245
139 HH12 ARG 16 HH12 ARG 16 -12.079 1.536 3.792
140 HH21 ARG 16 HH21 ARG 16 -13.185 0.331 0.734
141 HH22 ARG 16 HH22 ARG 16 -12.783 -0.074 2.370
Start of MODEL 8
1 H1 GLY 1 HN GLY 1 -8.627 -0.576 -0.515
2 HA2 GLY 1 HA2 GLY 1 -10.030 -2.357 0.272
3 HA3 GLY 1 HA1 GLY 1 -10.175 -2.929 -1.387
4 H SER 2 HN SER 2 -7.103 -2.251 -1.450
5 HA SER 2 HA SER 2 -6.293 -4.960 -0.705
6 HB2 SER 2 HB2 SER 2 -5.698 -3.579 -2.902
7 HB3 SER 2 HB1 SER 2 -4.381 -3.002 -1.887
8 HG SER 2 HG SER 2 -4.915 -5.730 -1.840
9 H LYS 3 HN LYS 3 -6.622 -2.223 0.954
10 HA LYS 3 HA LYS 3 -5.675 -1.326 2.847
11 HB2 LYS 3 HB2 LYS 3 -4.448 -4.090 3.021
12 HB3 LYS 3 HB1 LYS 3 -4.520 -2.916 4.336
13 HG2 LYS 3 HG2 LYS 3 -7.080 -3.585 2.954
14 HG3 LYS 3 HG1 LYS 3 -6.398 -4.799 4.036
15 HD2 LYS 3 HD2 LYS 3 -6.464 -3.332 5.902
16 HD3 LYS 3 HD1 LYS 3 -6.707 -1.916 4.880
17 HE2 LYS 3 HE2 LYS 3 -8.769 -3.982 4.528
18 HE3 LYS 3 HE1 LYS 3 -8.720 -3.302 6.154
19 HZ1 LYS 3 HZ1 LYS 3 -8.991 -1.815 3.602
20 HZ2 LYS 3 HZ2 LYS 3 -8.736 -1.072 5.108
21 HZ3 LYS 3 HZ3 LYS 3 -10.154 -1.965 4.828
22 H ARG 4 HN ARG 4 -3.611 -0.666 3.867
23 HA ARG 4 HA ARG 4 -1.791 0.357 2.019
24 HB2 ARG 4 HB2 ARG 4 -1.387 -0.236 4.960
25 HB3 ARG 4 HB1 ARG 4 -0.324 0.773 3.980
26 HG2 ARG 4 HG2 ARG 4 -1.700 2.541 4.202
27 HG3 ARG 4 HG1 ARG 4 -3.076 1.594 3.633
28 HD2 ARG 4 HD2 ARG 4 -2.004 1.454 6.462
29 HD3 ARG 4 HD1 ARG 4 -3.334 2.501 5.976
30 HE ARG 4 HE ARG 4 -3.691 -0.292 5.275
31 HH11 ARG 4 HH11 ARG 4 -5.419 -1.329 6.321
32 HH12 ARG 4 HH12 ARG 4 -6.169 -0.581 7.691
33 HH21 ARG 4 HH21 ARG 4 -4.111 2.209 7.628
34 HH22 ARG 4 HH22 ARG 4 -5.429 1.423 8.432
35 H PHE 5 HN PHE 5 -0.242 -0.560 0.845
36 HA PHE 5 HA PHE 5 1.006 -3.044 1.848
37 HB2 PHE 5 HB2 PHE 5 -0.653 -2.741 -0.434
38 HB3 PHE 5 HB1 PHE 5 0.991 -3.010 -1.007
39 HD1 PHE 5 HD1 PHE 5 2.021 -5.147 -0.833
40 HD2 PHE 5 HD2 PHE 5 -1.640 -4.346 1.269
41 HE1 PHE 5 HE1 PHE 5 1.825 -7.552 -0.257
42 HE2 PHE 5 HE2 PHE 5 -1.835 -6.750 1.845
43 HZ PHE 5 HZ PHE 5 -0.102 -8.352 1.082
44 H ARG 6 HN ARG 6 2.949 -2.215 2.469
45 HA ARG 6 HA ARG 6 4.420 -0.175 1.285
46 HB2 ARG 6 HB2 ARG 6 4.832 -2.243 3.259
47 HB3 ARG 6 HB1 ARG 6 6.270 -2.058 2.263
48 HG2 ARG 6 HG2 ARG 6 6.405 0.299 2.761
49 HG3 ARG 6 HG1 ARG 6 4.825 0.274 3.544
50 HD2 ARG 6 HD2 ARG 6 5.689 -1.209 5.293
51 HD3 ARG 6 HD1 ARG 6 7.259 -1.258 4.497
52 HE ARG 6 HE ARG 6 6.549 1.435 5.018
53 HH11 ARG 6 HH11 ARG 6 7.544 2.487 6.767
54 HH12 ARG 6 HH12 ARG 6 8.284 1.552 8.025
55 HH21 ARG 6 HH21 ARG 6 7.494 -1.502 6.584
56 HH22 ARG 6 HH22 ARG 6 8.256 -0.705 7.921
57 H PHE 7 HN PHE 7 6.425 -0.349 -0.015
58 HA PHE 7 HA PHE 7 6.963 -2.718 -1.541
59 HB2 PHE 7 HB2 PHE 7 4.830 -1.900 -2.578
60 HB3 PHE 7 HB1 PHE 7 5.689 -0.433 -3.047
61 HD1 PHE 7 HD1 PHE 7 6.961 -0.383 -5.025
62 HD2 PHE 7 HD2 PHE 7 5.860 -4.163 -3.309
63 HE1 PHE 7 HE1 PHE 7 7.874 -1.549 -7.012
64 HE2 PHE 7 HE2 PHE 7 6.775 -5.330 -5.298
65 HZ PHE 7 HZ PHE 7 7.782 -4.024 -7.148
66 HA DPR 8 HA DPR 8 10.719 -0.482 -2.172
67 HB2 DPR 8 HB1 DPR 8 11.780 0.258 0.244
68 HB3 DPR 8 HB2 DPR 8 11.776 -1.411 -0.356
69 HG2 DPR 8 HG1 DPR 8 9.975 -0.086 1.613
70 HG3 DPR 8 HG2 DPR 8 10.661 -1.719 1.630
71 HD2 DPR 8 HD1 DPR 8 8.081 -1.148 0.874
72 HD3 DPR 8 HD2 DPR 8 8.990 -2.554 0.275
73 HA PRO 9 HA PRO 9 11.095 4.034 -1.151
74 HB2 PRO 9 HB2 PRO 9 11.192 4.063 -4.134
75 HB3 PRO 9 HB1 PRO 9 12.217 4.915 -2.965
76 HG2 PRO 9 HG2 PRO 9 13.087 2.766 -4.281
77 HG3 PRO 9 HG1 PRO 9 13.557 3.092 -2.604
78 HD2 PRO 9 HD2 PRO 9 11.656 1.054 -3.661
79 HD3 PRO 9 HD1 PRO 9 12.674 1.000 -2.205
80 H GLU 10 HN GLU 10 8.807 2.126 -2.678
81 HA GLU 10 HA GLU 10 6.895 4.379 -2.842
82 HB2 GLU 10 HB2 GLU 10 6.680 1.880 -4.512
83 HB3 GLU 10 HB1 GLU 10 5.863 3.426 -4.740
84 HG2 GLU 10 HG2 GLU 10 7.514 3.791 -6.266
85 HG3 GLU 10 HG1 GLU 10 8.464 4.220 -4.844
86 H ILE 11 HN ILE 11 4.741 3.907 -2.186
87 HA ILE 11 HA ILE 11 4.285 1.313 -0.901
88 HB ILE 11 HB ILE 11 3.505 2.403 1.180
89 HG12 ILE 11 HG12 ILE 11 4.718 4.897 -0.058
90 HG13 ILE 11 HG11 ILE 11 2.992 4.623 0.184
91 HG21 ILE 11 HG21 ILE 11 6.333 3.274 0.560
92 HG22 ILE 11 HG22 ILE 11 5.898 1.579 0.787
93 HG23 ILE 11 HG23 ILE 11 5.677 2.731 2.104
94 HD11 ILE 11 HD11 ILE 11 3.791 5.951 2.038
95 HD12 ILE 11 HD12 ILE 11 5.124 4.834 2.326
96 HD13 ILE 11 HD13 ILE 11 3.465 4.326 2.643
97 H ILE 12 HN ILE 12 2.119 0.763 -0.647
98 HA ILE 12 HA ILE 12 0.289 2.309 -2.334
99 HB ILE 12 HB ILE 12 0.004 -0.438 -1.090
100 HG12 ILE 12 HG12 ILE 12 0.462 0.362 -3.981
101 HG13 ILE 12 HG11 ILE 12 1.752 -0.159 -2.897
102 HG21 ILE 12 HG21 ILE 12 -2.192 -0.127 -1.532
103 HG22 ILE 12 HG22 ILE 12 -1.751 -0.168 -3.239
104 HG23 ILE 12 HG23 ILE 12 -1.875 1.377 -2.399
105 HD11 ILE 12 HD11 ILE 12 1.225 -2.319 -3.236
106 HD12 ILE 12 HD12 ILE 12 0.040 -1.803 -4.435
107 HD13 ILE 12 HD13 ILE 12 -0.445 -2.023 -2.755
108 H PHE 13 HN PHE 13 0.794 3.704 -0.106
109 HA PHE 13 HA PHE 13 -1.082 3.095 2.007
110 HB2 PHE 13 HB2 PHE 13 0.990 5.156 1.482
111 HB3 PHE 13 HB1 PHE 13 -0.338 5.621 2.545
112 HD1 PHE 13 HD1 PHE 13 0.499 5.554 4.732
113 HD2 PHE 13 HD2 PHE 13 1.334 2.295 2.055
114 HE1 PHE 13 HE1 PHE 13 1.536 4.288 6.594
115 HE2 PHE 13 HE2 PHE 13 2.371 1.033 3.919
116 HZ PHE 13 HZ PHE 13 2.472 2.029 6.188
117 H ASN 14 HN ASN 14 -2.944 2.996 0.493
118 HA ASN 14 HA ASN 14 -4.236 5.625 0.367
119 HB2 ASN 14 HB2 ASN 14 -4.526 3.842 -2.016
120 HB3 ASN 14 HB1 ASN 14 -4.692 5.594 -1.898
121 HD21 ASN 14 HD21 ASN 14 -2.724 6.892 -1.964
122 HD22 ASN 14 HD22 ASN 14 -1.240 6.222 -2.446
123 H GLU 15 HN GLU 15 -6.331 4.336 -1.362
124 HA GLU 15 HA GLU 15 -7.467 2.349 0.474
125 HB2 GLU 15 HB2 GLU 15 -9.233 4.595 -0.425
126 HB3 GLU 15 HB1 GLU 15 -9.389 3.541 0.981
127 HG2 GLU 15 HG2 GLU 15 -7.347 4.634 1.949
128 HG3 GLU 15 HG1 GLU 15 -7.371 5.769 0.600
129 H ARG 16 HN ARG 16 -7.665 0.694 -0.921
130 HA ARG 16 HA ARG 16 -9.409 1.079 -3.247
131 HB2 ARG 16 HB2 ARG 16 -7.919 0.086 -4.802
132 HB3 ARG 16 HB1 ARG 16 -6.951 1.279 -3.935
133 HG2 ARG 16 HG2 ARG 16 -6.490 -0.781 -2.318
134 HG3 ARG 16 HG1 ARG 16 -6.875 -1.707 -3.769
135 HD2 ARG 16 HD2 ARG 16 -4.780 0.476 -3.575
136 HD3 ARG 16 HD1 ARG 16 -4.456 -1.254 -3.629
137 HE ARG 16 HE ARG 16 -5.246 0.432 -5.868
138 HH11 ARG 16 HH11 ARG 16 -5.194 -0.601 -7.891
139 HH12 ARG 16 HH12 ARG 16 -5.054 -2.325 -7.974
140 HH21 ARG 16 HH21 ARG 16 -4.962 -2.748 -4.533
141 HH22 ARG 16 HH22 ARG 16 -4.923 -3.541 -6.073
Start of MODEL 9
1 H1 GLY 1 HN GLY 1 -9.081 -0.445 -0.043
2 HA2 GLY 1 HA2 GLY 1 -8.029 -1.540 -2.371
3 HA3 GLY 1 HA1 GLY 1 -6.893 -0.297 -1.853
4 H SER 2 HN SER 2 -8.309 -3.395 -1.093
5 HA SER 2 HA SER 2 -7.209 -3.787 1.471
6 HB2 SER 2 HB2 SER 2 -7.283 -6.305 0.370
7 HB3 SER 2 HB1 SER 2 -8.638 -5.500 1.157
8 HG SER 2 HG SER 2 -9.511 -5.775 -0.751
9 H LYS 3 HN LYS 3 -5.541 -3.110 -1.229
10 HA LYS 3 HA LYS 3 -3.437 -5.066 -1.105
11 HB2 LYS 3 HB2 LYS 3 -3.493 -2.327 -2.396
12 HB3 LYS 3 HB1 LYS 3 -2.264 -3.565 -2.662
13 HG2 LYS 3 HG2 LYS 3 -3.566 -4.348 -4.330
14 HG3 LYS 3 HG1 LYS 3 -4.689 -4.893 -3.084
15 HD2 LYS 3 HD2 LYS 3 -5.805 -2.674 -3.147
16 HD3 LYS 3 HD1 LYS 3 -4.718 -2.185 -4.448
17 HE2 LYS 3 HE2 LYS 3 -5.562 -3.999 -5.868
18 HE3 LYS 3 HE1 LYS 3 -6.615 -4.548 -4.563
19 HZ1 LYS 3 HZ1 LYS 3 -7.714 -3.111 -6.248
20 HZ2 LYS 3 HZ2 LYS 3 -6.730 -1.825 -5.732
21 HZ3 LYS 3 HZ3 LYS 3 -7.839 -2.534 -4.658
22 H ARG 4 HN ARG 4 -3.294 -1.542 -0.549
23 HA ARG 4 HA ARG 4 -1.854 -0.306 0.765
24 HB2 ARG 4 HB2 ARG 4 -3.589 -1.137 2.374
25 HB3 ARG 4 HB1 ARG 4 -2.499 -2.462 2.786
26 HG2 ARG 4 HG2 ARG 4 -0.936 -0.121 2.920
27 HG3 ARG 4 HG1 ARG 4 -2.459 0.276 3.714
28 HD2 ARG 4 HD2 ARG 4 -0.644 -2.065 4.345
29 HD3 ARG 4 HD1 ARG 4 -0.948 -0.663 5.366
30 HE ARG 4 HE ARG 4 -3.433 -1.673 5.043
31 HH11 ARG 4 HH11 ARG 4 -4.336 -3.321 6.319
32 HH12 ARG 4 HH12 ARG 4 -3.304 -4.481 7.084
33 HH21 ARG 4 HH21 ARG 4 -0.380 -3.094 5.840
34 HH22 ARG 4 HH22 ARG 4 -1.063 -4.353 6.814
35 H PHE 5 HN PHE 5 0.152 -0.494 -0.138
36 HA PHE 5 HA PHE 5 1.903 -2.623 0.943
37 HB2 PHE 5 HB2 PHE 5 1.322 -1.983 -1.746
38 HB3 PHE 5 HB1 PHE 5 2.963 -1.413 -1.440
39 HD1 PHE 5 HD1 PHE 5 4.663 -3.005 -0.459
40 HD2 PHE 5 HD2 PHE 5 0.827 -4.307 -1.885
41 HE1 PHE 5 HE1 PHE 5 5.493 -5.340 -0.558
42 HE2 PHE 5 HE2 PHE 5 1.656 -6.643 -1.984
43 HZ PHE 5 HZ PHE 5 3.989 -7.159 -1.320
44 H ARG 6 HN ARG 6 3.518 -1.933 2.188
45 HA ARG 6 HA ARG 6 4.550 0.807 1.806
46 HB2 ARG 6 HB2 ARG 6 2.996 0.828 3.717
47 HB3 ARG 6 HB1 ARG 6 3.908 -0.481 4.471
48 HG2 ARG 6 HG2 ARG 6 5.792 0.880 4.846
49 HG3 ARG 6 HG1 ARG 6 5.284 2.070 3.646
50 HD2 ARG 6 HD2 ARG 6 4.931 2.413 6.309
51 HD3 ARG 6 HD1 ARG 6 3.872 3.128 5.096
52 HE ARG 6 HE ARG 6 2.206 1.620 5.721
53 HH11 ARG 6 HH11 ARG 6 1.355 0.025 7.096
54 HH12 ARG 6 HH12 ARG 6 2.414 -0.874 8.132
55 HH21 ARG 6 HH21 ARG 6 5.279 0.761 7.062
56 HH22 ARG 6 HH22 ARG 6 4.635 -0.456 8.112
57 H PHE 7 HN PHE 7 6.471 0.204 0.898
58 HA PHE 7 HA PHE 7 8.470 -0.894 2.670
59 HB2 PHE 7 HB2 PHE 7 7.160 -2.859 1.555
60 HB3 PHE 7 HB1 PHE 7 8.108 -2.440 0.131
61 HD1 PHE 7 HD1 PHE 7 8.491 -3.105 3.798
62 HD2 PHE 7 HD2 PHE 7 10.287 -3.277 -0.101
63 HE1 PHE 7 HE1 PHE 7 10.448 -4.292 4.752
64 HE2 PHE 7 HE2 PHE 7 12.244 -4.464 0.854
65 HZ PHE 7 HZ PHE 7 12.325 -4.972 3.280
66 HA DPR 8 HA DPR 8 11.052 1.558 0.070
67 HB2 DPR 8 HB1 DPR 8 10.184 4.153 0.126
68 HB3 DPR 8 HB2 DPR 8 11.004 3.361 1.486
69 HG2 DPR 8 HG1 DPR 8 8.097 3.854 1.035
70 HG3 DPR 8 HG2 DPR 8 9.049 4.004 2.522
71 HD2 DPR 8 HD1 DPR 8 7.445 1.853 1.960
72 HD3 DPR 8 HD2 DPR 8 8.900 1.744 2.979
73 HA PRO 9 HA PRO 9 9.719 3.242 -3.985
74 HB2 PRO 9 HB2 PRO 9 10.718 0.546 -4.807
75 HB3 PRO 9 HB1 PRO 9 11.036 2.134 -5.531
76 HG2 PRO 9 HG2 PRO 9 12.844 0.909 -4.008
77 HG3 PRO 9 HG1 PRO 9 12.644 2.668 -3.990
78 HD2 PRO 9 HD2 PRO 9 11.868 0.670 -1.929
79 HD3 PRO 9 HD1 PRO 9 12.283 2.388 -1.738
80 H GLU 10 HN GLU 10 8.624 0.563 -2.238
81 HA GLU 10 HA GLU 10 6.444 0.039 -4.168
82 HB2 GLU 10 HB2 GLU 10 8.000 -1.845 -3.252
83 HB3 GLU 10 HB1 GLU 10 7.024 -1.698 -1.792
84 HG2 GLU 10 HG2 GLU 10 4.971 -1.963 -3.233
85 HG3 GLU 10 HG1 GLU 10 6.041 -2.331 -4.584
86 H ILE 11 HN ILE 11 5.834 2.280 -3.132
87 HA ILE 11 HA ILE 11 4.313 1.852 -0.643
88 HB ILE 11 HB ILE 11 5.975 3.772 -0.853
89 HG12 ILE 11 HG12 ILE 11 4.055 5.444 -0.048
90 HG13 ILE 11 HG11 ILE 11 3.096 3.965 -0.057
91 HG21 ILE 11 HG21 ILE 11 5.071 4.241 -3.258
92 HG22 ILE 11 HG22 ILE 11 5.476 5.612 -2.223
93 HG23 ILE 11 HG23 ILE 11 3.792 5.127 -2.426
94 HD11 ILE 11 HD11 ILE 11 3.961 3.878 2.092
95 HD12 ILE 11 HD12 ILE 11 5.464 4.677 1.631
96 HD13 ILE 11 HD13 ILE 11 5.203 2.983 1.218
97 H ILE 12 HN ILE 12 2.183 1.590 -0.754
98 HA ILE 12 HA ILE 12 0.651 2.917 -2.868
99 HB ILE 12 HB ILE 12 0.193 -0.011 -2.335
100 HG12 ILE 12 HG12 ILE 12 2.007 1.256 -4.414
101 HG13 ILE 12 HG11 ILE 12 2.498 0.160 -3.121
102 HG21 ILE 12 HG21 ILE 12 -1.464 1.639 -3.494
103 HG22 ILE 12 HG22 ILE 12 -1.143 0.086 -4.265
104 HG23 ILE 12 HG23 ILE 12 -0.348 1.545 -4.856
105 HD11 ILE 12 HD11 ILE 12 2.301 -1.353 -4.860
106 HD12 ILE 12 HD12 ILE 12 1.022 -0.434 -5.653
107 HD13 ILE 12 HD13 ILE 12 0.655 -1.407 -4.229
108 H PHE 13 HN PHE 13 0.545 3.871 -0.431
109 HA PHE 13 HA PHE 13 -1.485 2.539 1.172
110 HB2 PHE 13 HB2 PHE 13 0.572 4.437 1.654
111 HB3 PHE 13 HB1 PHE 13 -0.962 5.207 2.060
112 HD1 PHE 13 HD1 PHE 13 0.955 2.027 2.558
113 HD2 PHE 13 HD2 PHE 13 -2.025 4.713 4.094
114 HE1 PHE 13 HE1 PHE 13 0.845 0.708 4.655
115 HE2 PHE 13 HE2 PHE 13 -2.133 3.394 6.191
116 HZ PHE 13 HZ PHE 13 -0.698 1.392 6.471
117 H ASN 14 HN ASN 14 -3.604 2.996 1.182
118 HA ASN 14 HA ASN 14 -4.717 5.517 0.495
119 HB2 ASN 14 HB2 ASN 14 -5.649 5.112 -1.634
120 HB3 ASN 14 HB1 ASN 14 -3.979 4.564 -1.771
121 HD21 ASN 14 HD21 ASN 14 -6.029 3.531 -3.492
122 HD22 ASN 14 HD22 ASN 14 -6.263 1.892 -3.113
123 H GLU 15 HN GLU 15 -7.207 5.173 0.029
124 HA GLU 15 HA GLU 15 -8.210 3.659 2.263
125 HB2 GLU 15 HB2 GLU 15 -9.773 5.100 0.112
126 HB3 GLU 15 HB1 GLU 15 -10.357 4.615 1.707
127 HG2 GLU 15 HG2 GLU 15 -8.048 6.085 2.245
128 HG3 GLU 15 HG1 GLU 15 -8.830 6.976 0.940
129 H ARG 16 HN ARG 16 -10.470 3.499 -0.190
130 HA ARG 16 HA ARG 16 -10.922 0.821 -0.176
131 HB2 ARG 16 HB2 ARG 16 -11.817 1.080 -2.504
132 HB3 ARG 16 HB1 ARG 16 -12.399 2.307 -1.377
133 HG2 ARG 16 HG2 ARG 16 -9.957 3.261 -2.498
134 HG3 ARG 16 HG1 ARG 16 -10.967 2.691 -3.826
135 HD2 ARG 16 HD2 ARG 16 -11.384 5.087 -3.244
136 HD3 ARG 16 HD1 ARG 16 -12.817 4.077 -3.084
137 HE ARG 16 HE ARG 16 -11.286 4.382 -0.637
138 HH11 ARG 16 HH11 ARG 16 -12.360 5.485 1.033
139 HH12 ARG 16 HH12 ARG 16 -13.804 6.375 0.688
140 HH21 ARG 16 HH21 ARG 16 -13.795 5.594 -2.690
141 HH22 ARG 16 HH22 ARG 16 -14.617 6.438 -1.420
Start of MODEL 10
1 H1 GLY 1 HN GLY 1 -8.654 -0.663 1.703
2 HA2 GLY 1 HA2 GLY 1 -10.175 -2.784 2.610
3 HA3 GLY 1 HA1 GLY 1 -9.516 -3.312 1.064
4 H SER 2 HN SER 2 -7.883 -1.114 3.267
5 HA SER 2 HA SER 2 -5.794 -1.240 4.232
6 HB2 SER 2 HB2 SER 2 -5.519 -3.023 5.791
7 HB3 SER 2 HB1 SER 2 -7.249 -2.696 5.723
8 HG SER 2 HG SER 2 -5.950 -4.960 5.180
9 H LYS 3 HN LYS 3 -5.380 -1.395 1.659
10 HA LYS 3 HA LYS 3 -3.881 -3.850 1.060
11 HB2 LYS 3 HB2 LYS 3 -4.756 -1.528 -0.669
12 HB3 LYS 3 HB1 LYS 3 -3.743 -2.853 -1.246
13 HG2 LYS 3 HG2 LYS 3 -6.229 -3.625 0.191
14 HG3 LYS 3 HG1 LYS 3 -6.439 -2.906 -1.406
15 HD2 LYS 3 HD2 LYS 3 -4.409 -5.088 -0.995
16 HD3 LYS 3 HD1 LYS 3 -6.111 -5.495 -1.219
17 HE2 LYS 3 HE2 LYS 3 -6.123 -4.832 -3.411
18 HE3 LYS 3 HE1 LYS 3 -4.974 -3.523 -3.129
19 HZ1 LYS 3 HZ1 LYS 3 -3.204 -5.150 -2.962
20 HZ2 LYS 3 HZ2 LYS 3 -4.002 -5.295 -4.455
21 HZ3 LYS 3 HZ3 LYS 3 -4.305 -6.415 -3.214
22 H ARG 4 HN ARG 4 -2.836 -2.021 3.022
23 HA ARG 4 HA ARG 4 -1.008 -0.145 2.263
24 HB2 ARG 4 HB2 ARG 4 -1.458 -1.088 4.611
25 HB3 ARG 4 HB1 ARG 4 -0.247 -2.309 4.220
26 HG2 ARG 4 HG2 ARG 4 1.141 -0.159 3.463
27 HG3 ARG 4 HG1 ARG 4 0.094 0.630 4.640
28 HD2 ARG 4 HD2 ARG 4 1.828 -1.798 5.175
29 HD3 ARG 4 HD1 ARG 4 2.177 -0.154 5.699
30 HE ARG 4 HE ARG 4 0.288 -1.977 6.902
31 HH11 ARG 4 HH11 ARG 4 -0.795 -1.193 8.740
32 HH12 ARG 4 HH12 ARG 4 -0.777 0.503 9.092
33 HH21 ARG 4 HH21 ARG 4 1.148 1.325 6.327
34 HH22 ARG 4 HH22 ARG 4 0.324 1.927 7.726
35 H PHE 5 HN PHE 5 -0.143 -0.484 0.247
36 HA PHE 5 HA PHE 5 1.409 -2.876 -0.294
37 HB2 PHE 5 HB2 PHE 5 -0.011 -1.153 -1.881
38 HB3 PHE 5 HB1 PHE 5 1.646 -0.621 -2.164
39 HD1 PHE 5 HD1 PHE 5 -0.777 -3.332 -2.582
40 HD2 PHE 5 HD2 PHE 5 3.341 -2.198 -3.051
41 HE1 PHE 5 HE1 PHE 5 -0.402 -5.297 -4.049
42 HE2 PHE 5 HE2 PHE 5 3.715 -4.163 -4.517
43 HZ PHE 5 HZ PHE 5 1.844 -5.712 -5.016
44 H ARG 6 HN ARG 6 2.305 -1.301 1.926
45 HA ARG 6 HA ARG 6 4.414 0.449 1.365
46 HB2 ARG 6 HB2 ARG 6 3.357 -0.874 3.645
47 HB3 ARG 6 HB1 ARG 6 5.091 -1.189 3.616
48 HG2 ARG 6 HG2 ARG 6 5.488 1.256 3.300
49 HG3 ARG 6 HG1 ARG 6 3.754 1.528 3.467
50 HD2 ARG 6 HD2 ARG 6 3.923 1.481 5.708
51 HD3 ARG 6 HD1 ARG 6 4.647 -0.121 5.642
52 HE ARG 6 HE ARG 6 6.438 2.127 5.097
53 HH11 ARG 6 HH11 ARG 6 8.187 2.290 6.529
54 HH12 ARG 6 HH12 ARG 6 8.203 1.347 7.982
55 HH21 ARG 6 HH21 ARG 6 5.147 -0.163 7.356
56 HH22 ARG 6 HH22 ARG 6 6.485 -0.041 8.448
57 H PHE 7 HN PHE 7 6.427 0.175 0.581
58 HA PHE 7 HA PHE 7 7.807 -2.370 0.777
59 HB2 PHE 7 HB2 PHE 7 6.264 -2.574 -1.218
60 HB3 PHE 7 HB1 PHE 7 7.206 -1.291 -1.976
61 HD1 PHE 7 HD1 PHE 7 9.215 -1.789 -3.097
62 HD2 PHE 7 HD2 PHE 7 7.552 -4.640 -0.346
63 HE1 PHE 7 HE1 PHE 7 10.923 -3.451 -3.786
64 HE2 PHE 7 HE2 PHE 7 9.260 -6.301 -1.035
65 HZ PHE 7 HZ PHE 7 10.945 -5.706 -2.756
66 HA DPR 8 HA DPR 8 11.133 0.607 1.024
67 HB2 DPR 8 HB1 DPR 8 9.580 3.043 1.733
68 HB3 DPR 8 HB2 DPR 8 10.976 2.314 2.549
69 HG2 DPR 8 HG1 DPR 8 8.507 2.114 3.537
70 HG3 DPR 8 HG2 DPR 8 9.675 0.788 3.674
71 HD2 DPR 8 HD1 DPR 8 7.323 1.084 1.833
72 HD3 DPR 8 HD2 DPR 8 7.952 -0.373 2.633
73 HA PRO 9 HA PRO 9 11.772 3.390 -2.471
74 HB2 PRO 9 HB2 PRO 9 11.651 0.881 -4.081
75 HB3 PRO 9 HB1 PRO 9 12.865 2.172 -4.098
76 HG2 PRO 9 HG2 PRO 9 13.272 -0.202 -2.898
77 HG3 PRO 9 HG1 PRO 9 14.010 1.307 -2.339
78 HD2 PRO 9 HD2 PRO 9 11.883 -0.296 -1.074
79 HD3 PRO 9 HD1 PRO 9 12.941 0.942 -0.364
80 H GLU 10 HN GLU 10 9.166 1.259 -2.046
81 HA GLU 10 HA GLU 10 7.479 2.887 -3.801
82 HB2 GLU 10 HB2 GLU 10 7.592 -0.135 -3.972
83 HB3 GLU 10 HB1 GLU 10 6.449 0.903 -4.827
84 HG2 GLU 10 HG2 GLU 10 8.532 2.099 -5.773
85 HG3 GLU 10 HG1 GLU 10 9.436 0.696 -5.206
86 H ILE 11 HN ILE 11 5.384 3.076 -3.092
87 HA ILE 11 HA ILE 11 4.344 1.340 -1.016
88 HB ILE 11 HB ILE 11 5.602 2.803 0.396
89 HG12 ILE 11 HG12 ILE 11 2.821 4.003 0.330
90 HG13 ILE 11 HG11 ILE 11 3.146 2.388 0.962
91 HG21 ILE 11 HG21 ILE 11 6.234 4.795 -0.439
92 HG22 ILE 11 HG22 ILE 11 4.606 5.386 -0.101
93 HG23 ILE 11 HG23 ILE 11 4.992 4.722 -1.689
94 HD11 ILE 11 HD11 ILE 11 4.348 4.989 1.946
95 HD12 ILE 11 HD12 ILE 11 4.817 3.392 2.526
96 HD13 ILE 11 HD13 ILE 11 3.179 3.984 2.803
97 H ILE 12 HN ILE 12 2.158 1.218 -1.139
98 HA ILE 12 HA ILE 12 0.685 3.433 -2.385
99 HB ILE 12 HB ILE 12 0.080 0.660 -3.341
100 HG12 ILE 12 HG12 ILE 12 2.238 2.502 -4.417
101 HG13 ILE 12 HG11 ILE 12 2.471 0.878 -3.767
102 HG21 ILE 12 HG21 ILE 12 -1.314 2.811 -3.732
103 HG22 ILE 12 HG22 ILE 12 -0.952 1.799 -5.131
104 HG23 ILE 12 HG23 ILE 12 -0.025 3.272 -4.844
105 HD11 ILE 12 HD11 ILE 12 0.550 0.456 -5.694
106 HD12 ILE 12 HD12 ILE 12 2.279 0.192 -5.921
107 HD13 ILE 12 HD13 ILE 12 1.545 1.712 -6.432
108 H PHE 13 HN PHE 13 -1.110 3.845 -1.290
109 HA PHE 13 HA PHE 13 -2.219 1.729 0.458
110 HB2 PHE 13 HB2 PHE 13 -1.098 3.884 1.448
111 HB3 PHE 13 HB1 PHE 13 -2.622 4.648 0.994
112 HD1 PHE 13 HD1 PHE 13 -4.688 4.106 2.115
113 HD2 PHE 13 HD2 PHE 13 -1.051 2.032 3.094
114 HE1 PHE 13 HE1 PHE 13 -5.773 3.161 4.135
115 HE2 PHE 13 HE2 PHE 13 -2.144 1.090 5.117
116 HZ PHE 13 HZ PHE 13 -4.500 1.653 5.634
117 H ASN 14 HN ASN 14 -2.788 3.102 -2.380
118 HA ASN 14 HA ASN 14 -5.340 4.213 -2.333
119 HB2 ASN 14 HB2 ASN 14 -5.518 3.327 -4.691
120 HB3 ASN 14 HB1 ASN 14 -4.069 4.276 -4.363
121 HD21 ASN 14 HD21 ASN 14 -3.673 1.380 -2.736
122 HD22 ASN 14 HD22 ASN 14 -2.813 0.522 -3.923
123 H GLU 15 HN GLU 15 -7.191 2.917 -3.629
124 HA GLU 15 HA GLU 15 -8.875 1.370 -3.438
125 HB2 GLU 15 HB2 GLU 15 -6.407 -0.118 -3.527
126 HB3 GLU 15 HB1 GLU 15 -7.563 -0.937 -2.475
127 HG2 GLU 15 HG2 GLU 15 -7.844 -1.685 -4.798
128 HG3 GLU 15 HG1 GLU 15 -9.271 -0.803 -4.260
129 H ARG 16 HN ARG 16 -10.310 0.573 -1.902
130 HA ARG 16 HA ARG 16 -9.561 1.154 0.879
131 HB2 ARG 16 HB2 ARG 16 -11.979 1.484 -0.716
132 HB3 ARG 16 HB1 ARG 16 -12.291 0.650 0.800
133 HG2 ARG 16 HG2 ARG 16 -12.492 3.072 1.121
134 HG3 ARG 16 HG1 ARG 16 -11.103 2.464 2.021
135 HD2 ARG 16 HD2 ARG 16 -10.306 3.127 -0.672
136 HD3 ARG 16 HD1 ARG 16 -11.119 4.505 0.063
137 HE ARG 16 HE ARG 16 -9.416 3.794 2.015
138 HH11 ARG 16 HH11 ARG 16 -7.237 4.415 2.159
139 HH12 ARG 16 HH12 ARG 16 -6.348 4.778 0.718
140 HH21 ARG 16 HH21 ARG 16 -9.020 4.160 -1.404
141 HH22 ARG 16 HH22 ARG 16 -7.357 4.634 -1.300