Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
637744 | 6dzc RC | 30489 | 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 -9.809 1.796 0.563
2 HA2 GLY 1 HA2 GLY 1 -10.444 4.384 1.612
3 HA3 GLY 1 HA1 GLY 1 -9.637 3.078 2.475
4 H SER 2 HN SER 2 -8.578 4.564 -0.556
5 HA SER 2 HA SER 2 -6.609 5.600 -1.129
6 HB2 SER 2 HB2 SER 2 -7.699 6.994 1.067
7 HB3 SER 2 HB1 SER 2 -5.974 6.846 1.391
8 HG SER 2 HG SER 2 -5.529 7.943 -0.419
9 H ARG 3 HN ARG 3 -4.318 6.211 0.267
10 HA ARG 3 HA ARG 3 -2.333 5.248 0.915
11 HB2 ARG 3 HB2 ARG 3 -4.208 3.559 2.591
12 HB3 ARG 3 HB1 ARG 3 -2.467 3.684 2.824
13 HG2 ARG 3 HG2 ARG 3 -3.023 6.293 2.879
14 HG3 ARG 3 HG1 ARG 3 -4.604 5.696 3.387
15 HD2 ARG 3 HD2 ARG 3 -3.306 6.036 5.383
16 HD3 ARG 3 HD1 ARG 3 -3.416 4.296 5.123
17 HE ARG 3 HE ARG 3 -1.059 5.579 3.991
18 HH11 ARG 3 HH11 ARG 3 0.913 4.858 4.853
19 HH12 ARG 3 HH12 ARG 3 0.924 3.900 6.295
20 HH21 ARG 3 HH21 ARG 3 -2.525 3.921 6.654
21 HH22 ARG 3 HH22 ARG 3 -1.022 3.370 7.316
22 H GLY 4 HN GLY 4 -1.324 4.189 -0.669
23 HA2 GLY 4 HA2 GLY 4 -1.257 1.397 -0.834
24 HA3 GLY 4 HA1 GLY 4 -2.362 1.971 -2.080
25 H PHE 5 HN PHE 5 0.766 1.148 -1.495
26 HA PHE 5 HA PHE 5 1.758 1.789 -4.008
27 HB2 PHE 5 HB2 PHE 5 1.788 4.093 -3.672
28 HB3 PHE 5 HB1 PHE 5 2.172 3.939 -1.957
29 HD1 PHE 5 HD1 PHE 5 3.574 3.279 -5.362
30 HD2 PHE 5 HD2 PHE 5 4.402 4.097 -1.227
31 HE1 PHE 5 HE1 PHE 5 5.987 3.495 -5.889
32 HE2 PHE 5 HE2 PHE 5 6.817 4.315 -1.754
33 HZ PHE 5 HZ PHE 5 7.609 4.014 -4.086
34 H ARG 6 HN ARG 6 3.398 0.417 -4.281
35 HA ARG 6 HA ARG 6 4.510 -1.139 -2.238
36 HB2 ARG 6 HB2 ARG 6 4.753 -0.898 -5.073
37 HB3 ARG 6 HB1 ARG 6 6.382 -0.874 -4.403
38 HG2 ARG 6 HG2 ARG 6 5.888 -3.171 -4.772
39 HG3 ARG 6 HG1 ARG 6 5.688 -2.938 -3.038
40 HD2 ARG 6 HD2 ARG 6 3.741 -4.109 -3.611
41 HD3 ARG 6 HD1 ARG 6 3.193 -2.437 -3.653
42 HE ARG 6 HE ARG 6 3.031 -2.582 -5.987
43 HH11 ARG 6 HH11 ARG 6 2.897 -3.817 -7.887
44 HH12 ARG 6 HH12 ARG 6 3.526 -5.430 -7.910
45 HH21 ARG 6 HH21 ARG 6 4.569 -5.362 -4.607
46 HH22 ARG 6 HH22 ARG 6 4.471 -6.303 -6.056
47 H PHE 7 HN PHE 7 6.212 -0.852 -0.858
48 HA PHE 7 HA PHE 7 8.019 1.421 -1.346
49 HB2 PHE 7 HB2 PHE 7 5.966 1.677 0.406
50 HB3 PHE 7 HB1 PHE 7 7.203 1.039 1.480
51 HD1 PHE 7 HD1 PHE 7 9.674 2.183 0.196
52 HD2 PHE 7 HD2 PHE 7 5.839 3.958 1.002
53 HE1 PHE 7 HE1 PHE 7 10.725 4.423 0.279
54 HE2 PHE 7 HE2 PHE 7 6.898 6.196 1.083
55 HZ PHE 7 HZ PHE 7 9.339 6.430 0.723
56 HA DPR 8 HA DPR 8 11.502 -1.135 -0.687
57 HB2 DPR 8 HB2 DPR 8 11.636 -2.895 -2.202
58 HB3 DPR 8 HB1 DPR 8 9.954 -3.387 -1.928
59 HG2 DPR 8 HG2 DPR 8 11.034 -1.214 -3.625
60 HG3 DPR 8 HG1 DPR 8 9.595 -2.221 -3.851
61 HD2 DPR 8 HD2 DPR 8 9.651 0.419 -2.810
62 HD3 DPR 8 HD1 DPR 8 8.267 -0.695 -2.800
63 HA PRO 9 HA PRO 9 10.972 -3.939 2.742
64 HB2 PRO 9 HB2 PRO 9 11.195 -2.207 4.858
65 HB3 PRO 9 HB1 PRO 9 12.577 -2.764 3.896
66 HG2 PRO 9 HG2 PRO 9 11.093 -0.191 3.766
67 HG3 PRO 9 HG1 PRO 9 12.828 -0.508 3.591
68 HD2 PRO 9 HD2 PRO 9 11.175 -0.059 1.455
69 HD3 PRO 9 HD1 PRO 9 12.643 -1.055 1.356
70 H LYS 10 HN LYS 10 8.630 -2.018 1.679
71 HA LYS 10 HA LYS 10 6.631 -3.153 3.383
72 HB2 LYS 10 HB2 LYS 10 7.484 -1.232 4.767
73 HB3 LYS 10 HB1 LYS 10 6.966 -0.149 3.487
74 HG2 LYS 10 HG2 LYS 10 4.626 -1.237 3.787
75 HG3 LYS 10 HG1 LYS 10 5.260 -1.828 5.325
76 HD2 LYS 10 HD2 LYS 10 6.043 0.748 5.483
77 HD3 LYS 10 HD1 LYS 10 4.602 0.944 4.483
78 HE2 LYS 10 HE2 LYS 10 3.807 1.101 6.713
79 HE3 LYS 10 HE1 LYS 10 3.411 -0.544 6.213
80 HZ1 LYS 10 HZ1 LYS 10 5.788 0.274 7.793
81 HZ2 LYS 10 HZ2 LYS 10 5.449 -1.309 7.280
82 HZ3 LYS 10 HZ3 LYS 10 4.424 -0.536 8.393
83 H ILE 11 HN ILE 11 4.561 -2.922 2.564
84 HA ILE 11 HA ILE 11 4.189 -1.346 0.125
85 HB ILE 11 HB ILE 11 3.534 -3.136 -1.256
86 HG12 ILE 11 HG12 ILE 11 3.532 -5.533 -0.142
87 HG13 ILE 11 HG11 ILE 11 3.267 -4.634 1.346
88 HG21 ILE 11 HG21 ILE 11 5.764 -4.377 0.364
89 HG22 ILE 11 HG22 ILE 11 6.015 -3.015 -0.725
90 HG23 ILE 11 HG23 ILE 11 5.443 -4.556 -1.358
91 HD11 ILE 11 HD11 ILE 11 1.072 -4.552 0.833
92 HD12 ILE 11 HD12 ILE 11 1.375 -5.293 -0.735
93 HD13 ILE 11 HD13 ILE 11 1.459 -3.544 -0.560
94 H ILE 12 HN ILE 12 2.236 -0.425 0.060
95 HA ILE 12 HA ILE 12 0.216 -1.346 2.013
96 HB ILE 12 HB ILE 12 0.457 1.396 0.757
97 HG12 ILE 12 HG12 ILE 12 2.441 1.041 2.096
98 HG13 ILE 12 HG11 ILE 12 1.346 2.074 3.011
99 HG21 ILE 12 HG21 ILE 12 -1.751 1.134 1.528
100 HG22 ILE 12 HG22 ILE 12 -0.935 1.923 2.877
101 HG23 ILE 12 HG23 ILE 12 -1.250 0.191 2.933
102 HD11 ILE 12 HD11 ILE 12 1.997 0.506 4.620
103 HD12 ILE 12 HD12 ILE 12 2.028 -0.818 3.460
104 HD13 ILE 12 HD13 ILE 12 0.487 -0.187 4.032
105 H ARG 13 HN ARG 13 -2.000 -1.330 1.372
106 HA ARG 13 HA ARG 13 -2.747 -0.788 -1.347
107 HB2 ARG 13 HB2 ARG 13 -2.953 -2.901 -2.236
108 HB3 ARG 13 HB1 ARG 13 -1.526 -3.137 -1.228
109 HG2 ARG 13 HG2 ARG 13 -3.174 -3.840 0.630
110 HG3 ARG 13 HG1 ARG 13 -4.376 -3.963 -0.656
111 HD2 ARG 13 HD2 ARG 13 -2.363 -5.329 -1.809
112 HD3 ARG 13 HD1 ARG 13 -1.996 -5.656 -0.117
113 HE ARG 13 HE ARG 13 -4.325 -6.583 -1.602
114 HH11 ARG 13 HH11 ARG 13 -5.615 -8.086 -0.496
115 HH12 ARG 13 HH12 ARG 13 -5.375 -8.345 1.200
116 HH21 ARG 13 HH21 ARG 13 -2.799 -6.039 1.460
117 HH22 ARG 13 HH22 ARG 13 -3.780 -7.188 2.306
118 H ASN 14 HN ASN 14 -4.926 -0.593 -1.589
119 HA ASN 14 HA ASN 14 -6.816 -1.751 0.230
120 HB2 ASN 14 HB2 ASN 14 -6.042 1.141 0.519
121 HB3 ASN 14 HB1 ASN 14 -7.657 0.586 0.952
122 HD21 ASN 14 HD21 ASN 14 -7.502 -1.593 2.388
123 HD22 ASN 14 HD22 ASN 14 -6.371 -1.511 3.651
124 H GLU 15 HN GLU 15 -5.912 0.073 -2.472
125 HA GLU 15 HA GLU 15 -7.106 1.057 -4.222
126 HB2 GLU 15 HB2 GLU 15 -6.890 -1.554 -4.470
127 HB3 GLU 15 HB1 GLU 15 -8.643 -1.508 -4.278
128 HG2 GLU 15 HG2 GLU 15 -8.365 -1.303 -6.602
129 HG3 GLU 15 HG1 GLU 15 -8.564 0.368 -6.078
130 H ARG 16 HN ARG 16 -8.297 1.871 -1.798
131 HA ARG 16 HA ARG 16 -10.851 2.690 -2.718
132 HB2 ARG 16 HB2 ARG 16 -11.279 0.264 -2.037
133 HB3 ARG 16 HB1 ARG 16 -10.982 0.785 -0.380
134 HG2 ARG 16 HG2 ARG 16 -13.260 1.135 -0.460
135 HG3 ARG 16 HG1 ARG 16 -12.720 2.697 -1.078
136 HD2 ARG 16 HD2 ARG 16 -14.462 1.792 -2.537
137 HD3 ARG 16 HD1 ARG 16 -12.924 1.826 -3.395
138 HE ARG 16 HE ARG 16 -13.472 -0.689 -2.068
139 HH11 ARG 16 HH11 ARG 16 -13.792 -2.465 -3.448
140 HH12 ARG 16 HH12 ARG 16 -14.075 -2.202 -5.136
141 HH21 ARG 16 HH21 ARG 16 -13.879 1.251 -4.904
142 HH22 ARG 16 HH22 ARG 16 -14.124 -0.099 -5.961
Start of MODEL 2
1 H1 GLY 1 HN GLY 1 -11.094 0.683 -1.181
2 HA2 GLY 1 HA2 GLY 1 -11.760 3.197 -0.546
3 HA3 GLY 1 HA1 GLY 1 -10.231 3.030 0.312
4 H SER 2 HN SER 2 -8.841 4.245 -0.851
5 HA SER 2 HA SER 2 -8.005 3.308 -3.434
6 HB2 SER 2 HB2 SER 2 -8.378 5.751 -4.369
7 HB3 SER 2 HB1 SER 2 -9.655 4.542 -4.473
8 HG SER 2 HG SER 2 -9.936 6.827 -3.424
9 H ARG 3 HN ARG 3 -6.132 3.133 -1.995
10 HA ARG 3 HA ARG 3 -4.314 5.287 -2.367
11 HB2 ARG 3 HB2 ARG 3 -5.755 6.122 -0.436
12 HB3 ARG 3 HB1 ARG 3 -5.055 4.817 0.521
13 HG2 ARG 3 HG2 ARG 3 -2.830 5.945 -0.661
14 HG3 ARG 3 HG1 ARG 3 -3.849 7.350 -0.344
15 HD2 ARG 3 HD2 ARG 3 -2.404 6.869 1.591
16 HD3 ARG 3 HD1 ARG 3 -4.101 6.644 2.004
17 HE ARG 3 HE ARG 3 -2.744 4.234 1.120
18 HH11 ARG 3 HH11 ARG 3 -2.577 2.604 2.688
19 HH12 ARG 3 HH12 ARG 3 -2.897 2.970 4.350
20 HH21 ARG 3 HH21 ARG 3 -3.616 6.308 3.749
21 HH22 ARG 3 HH22 ARG 3 -3.487 5.068 4.951
22 H GLY 4 HN GLY 4 -2.382 4.356 -2.571
23 HA2 GLY 4 HA2 GLY 4 -1.505 2.269 -0.754
24 HA3 GLY 4 HA1 GLY 4 -1.745 1.737 -2.419
25 H PHE 5 HN PHE 5 0.712 1.405 -1.617
26 HA PHE 5 HA PHE 5 2.283 3.051 -3.314
27 HB2 PHE 5 HB2 PHE 5 1.971 4.630 -1.397
28 HB3 PHE 5 HB1 PHE 5 2.761 3.451 -0.351
29 HD1 PHE 5 HD1 PHE 5 3.296 5.228 -3.615
30 HD2 PHE 5 HD2 PHE 5 5.082 3.569 -0.073
31 HE1 PHE 5 HE1 PHE 5 5.515 6.073 -4.334
32 HE2 PHE 5 HE2 PHE 5 7.297 4.415 -0.795
33 HZ PHE 5 HZ PHE 5 7.514 5.668 -2.925
34 H ARG 6 HN ARG 6 4.621 2.466 -3.160
35 HA ARG 6 HA ARG 6 4.972 -0.256 -2.048
36 HB2 ARG 6 HB2 ARG 6 4.966 0.361 -4.723
37 HB3 ARG 6 HB1 ARG 6 6.673 0.571 -4.337
38 HG2 ARG 6 HG2 ARG 6 6.861 -1.691 -3.533
39 HG3 ARG 6 HG1 ARG 6 5.111 -1.924 -3.594
40 HD2 ARG 6 HD2 ARG 6 6.823 -1.325 -6.017
41 HD3 ARG 6 HD1 ARG 6 6.334 -2.946 -5.531
42 HE ARG 6 HE ARG 6 4.701 -1.015 -6.875
43 HH11 ARG 6 HH11 ARG 6 2.533 -1.588 -7.241
44 HH12 ARG 6 HH12 ARG 6 1.823 -2.887 -6.341
45 HH21 ARG 6 HH21 ARG 6 4.705 -3.566 -4.536
46 HH22 ARG 6 HH22 ARG 6 3.052 -4.006 -4.810
47 H PHE 7 HN PHE 7 6.558 -0.461 -0.608
48 HA PHE 7 HA PHE 7 8.788 1.466 -0.669
49 HB2 PHE 7 HB2 PHE 7 6.727 1.531 1.206
50 HB3 PHE 7 HB1 PHE 7 8.039 0.725 2.056
51 HD1 PHE 7 HD1 PHE 7 10.469 1.929 1.020
52 HD2 PHE 7 HD2 PHE 7 6.668 3.781 1.832
53 HE1 PHE 7 HE1 PHE 7 11.593 4.116 1.319
54 HE2 PHE 7 HE2 PHE 7 7.802 5.964 2.128
55 HZ PHE 7 HZ PHE 7 10.262 6.133 1.871
56 HA DPR 8 HA DPR 8 11.733 -1.764 -0.541
57 HB2 DPR 8 HB2 DPR 8 11.705 -3.054 -2.474
58 HB3 DPR 8 HB1 DPR 8 9.947 -3.286 -2.410
59 HG2 DPR 8 HG2 DPR 8 11.513 -0.967 -3.389
60 HG3 DPR 8 HG1 DPR 8 9.971 -1.617 -3.966
61 HD2 DPR 8 HD2 DPR 8 10.294 0.609 -2.260
62 HD3 DPR 8 HD1 DPR 8 8.775 -0.254 -2.580
63 HA PRO 9 HA PRO 9 10.366 -5.243 1.924
64 HB2 PRO 9 HB2 PRO 9 10.900 -4.328 4.435
65 HB3 PRO 9 HB1 PRO 9 12.169 -4.832 3.301
66 HG2 PRO 9 HG2 PRO 9 11.234 -2.092 4.000
67 HG3 PRO 9 HG1 PRO 9 12.880 -2.689 3.727
68 HD2 PRO 9 HD2 PRO 9 11.468 -1.297 1.836
69 HD3 PRO 9 HD1 PRO 9 12.718 -2.497 1.434
70 H LYS 10 HN LYS 10 8.569 -2.613 1.504
71 HA LYS 10 HA LYS 10 6.324 -3.673 2.960
72 HB2 LYS 10 HB2 LYS 10 6.849 -2.526 4.854
73 HB3 LYS 10 HB1 LYS 10 7.842 -1.351 4.001
74 HG2 LYS 10 HG2 LYS 10 5.898 -0.112 3.288
75 HG3 LYS 10 HG1 LYS 10 4.815 -1.388 3.851
76 HD2 LYS 10 HD2 LYS 10 6.604 -0.471 5.960
77 HD3 LYS 10 HD1 LYS 10 5.617 0.840 5.312
78 HE2 LYS 10 HE2 LYS 10 3.582 -0.409 5.718
79 HE3 LYS 10 HE1 LYS 10 4.503 -1.839 6.187
80 HZ1 LYS 10 HZ1 LYS 10 4.207 -1.010 8.237
81 HZ2 LYS 10 HZ2 LYS 10 3.932 0.574 7.689
82 HZ3 LYS 10 HZ3 LYS 10 5.519 -0.012 7.838
83 H ILE 11 HN ILE 11 4.347 -2.761 2.336
84 HA ILE 11 HA ILE 11 4.374 -0.678 0.285
85 HB ILE 11 HB ILE 11 3.303 -1.943 -1.399
86 HG12 ILE 11 HG12 ILE 11 3.027 -4.553 -0.664
87 HG13 ILE 11 HG11 ILE 11 2.674 -3.756 0.867
88 HG21 ILE 11 HG21 ILE 11 4.896 -3.703 -1.886
89 HG22 ILE 11 HG22 ILE 11 5.377 -3.794 -0.194
90 HG23 ILE 11 HG23 ILE 11 5.754 -2.356 -1.142
91 HD11 ILE 11 HD11 ILE 11 1.215 -3.569 -1.750
92 HD12 ILE 11 HD12 ILE 11 1.152 -2.203 -0.638
93 HD13 ILE 11 HD13 ILE 11 0.563 -3.784 -0.126
94 H ILE 12 HN ILE 12 2.437 0.416 0.073
95 HA ILE 12 HA ILE 12 0.493 -0.111 2.225
96 HB ILE 12 HB ILE 12 0.769 2.391 0.550
97 HG12 ILE 12 HG12 ILE 12 2.882 2.099 1.682
98 HG13 ILE 12 HG11 ILE 12 1.963 3.304 2.581
99 HG21 ILE 12 HG21 ILE 12 -0.960 3.164 1.768
100 HG22 ILE 12 HG22 ILE 12 -0.204 2.649 3.276
101 HG23 ILE 12 HG23 ILE 12 -1.188 1.515 2.351
102 HD11 ILE 12 HD11 ILE 12 2.502 0.429 3.302
103 HD12 ILE 12 HD12 ILE 12 1.137 1.293 4.007
104 HD13 ILE 12 HD13 ILE 12 2.779 1.878 4.267
105 H ARG 13 HN ARG 13 -1.572 -0.632 1.788
106 HA ARG 13 HA ARG 13 -3.060 0.059 -0.463
107 HB2 ARG 13 HB2 ARG 13 -1.791 -1.193 -1.956
108 HB3 ARG 13 HB1 ARG 13 -1.438 -2.444 -0.766
109 HG2 ARG 13 HG2 ARG 13 -3.573 -3.418 -0.976
110 HG3 ARG 13 HG1 ARG 13 -4.262 -1.967 -1.707
111 HD2 ARG 13 HD2 ARG 13 -2.871 -2.320 -3.715
112 HD3 ARG 13 HD1 ARG 13 -2.193 -3.775 -2.989
113 HE ARG 13 HE ARG 13 -4.825 -4.321 -2.922
114 HH11 ARG 13 HH11 ARG 13 -6.030 -5.195 -4.637
115 HH12 ARG 13 HH12 ARG 13 -5.531 -4.913 -6.272
116 HH21 ARG 13 HH21 ARG 13 -2.770 -3.015 -5.382
117 HH22 ARG 13 HH22 ARG 13 -3.686 -3.678 -6.693
118 H ASN 14 HN ASN 14 -5.168 -0.614 -0.270
119 HA ASN 14 HA ASN 14 -5.826 -2.784 1.574
120 HB2 ASN 14 HB2 ASN 14 -7.533 -0.572 2.215
121 HB3 ASN 14 HB1 ASN 14 -6.468 -1.487 3.280
122 HD21 ASN 14 HD21 ASN 14 -6.654 1.397 1.214
123 HD22 ASN 14 HD22 ASN 14 -5.251 2.130 1.827
124 H GLU 15 HN GLU 15 -7.624 -3.850 0.958
125 HA GLU 15 HA GLU 15 -8.918 -3.048 -1.501
126 HB2 GLU 15 HB2 GLU 15 -9.109 -5.437 0.317
127 HB3 GLU 15 HB1 GLU 15 -10.287 -5.185 -0.971
128 HG2 GLU 15 HG2 GLU 15 -7.445 -4.857 -1.749
129 HG3 GLU 15 HG1 GLU 15 -7.940 -6.498 -1.337
130 H ARG 16 HN ARG 16 -9.490 -1.025 0.075
131 HA ARG 16 HA ARG 16 -12.326 -1.031 0.244
132 HB2 ARG 16 HB2 ARG 16 -11.674 -2.344 2.324
133 HB3 ARG 16 HB1 ARG 16 -10.950 -0.852 2.926
134 HG2 ARG 16 HG2 ARG 16 -13.090 0.303 2.771
135 HG3 ARG 16 HG1 ARG 16 -13.837 -1.117 2.037
136 HD2 ARG 16 HD2 ARG 16 -12.665 -0.963 4.828
137 HD3 ARG 16 HD1 ARG 16 -14.379 -1.021 4.426
138 HE ARG 16 HE ARG 16 -12.586 -3.254 4.541
139 HH11 ARG 16 HH11 ARG 16 -13.441 -5.275 3.953
140 HH12 ARG 16 HH12 ARG 16 -14.918 -5.356 3.052
141 HH21 ARG 16 HH21 ARG 16 -15.332 -1.915 2.916
142 HH22 ARG 16 HH22 ARG 16 -15.988 -3.453 2.465
Start of MODEL 3
1 H1 GLY 1 HN GLY 1 -10.207 1.029 0.639
2 HA2 GLY 1 HA2 GLY 1 -11.353 3.629 -0.137
3 HA3 GLY 1 HA1 GLY 1 -9.807 3.384 0.672
4 H SER 2 HN SER 2 -8.727 4.658 -0.892
5 HA SER 2 HA SER 2 -8.001 3.158 -3.290
6 HB2 SER 2 HB2 SER 2 -9.069 5.987 -3.425
7 HB3 SER 2 HB1 SER 2 -8.357 5.096 -4.767
8 HG SER 2 HG SER 2 -10.717 5.038 -4.585
9 H ARG 3 HN ARG 3 -6.269 3.252 -1.389
10 HA ARG 3 HA ARG 3 -4.296 5.238 -2.266
11 HB2 ARG 3 HB2 ARG 3 -4.835 4.716 0.663
12 HB3 ARG 3 HB1 ARG 3 -3.723 5.898 -0.029
13 HG2 ARG 3 HG2 ARG 3 -5.700 6.999 -1.136
14 HG3 ARG 3 HG1 ARG 3 -6.746 5.908 -0.227
15 HD2 ARG 3 HD2 ARG 3 -5.029 6.925 1.707
16 HD3 ARG 3 HD1 ARG 3 -5.347 8.312 0.670
17 HE ARG 3 HE ARG 3 -7.153 7.245 2.534
18 HH11 ARG 3 HH11 ARG 3 -9.345 7.831 2.428
19 HH12 ARG 3 HH12 ARG 3 -10.001 8.442 0.946
20 HH21 ARG 3 HH21 ARG 3 -7.008 8.205 -0.787
21 HH22 ARG 3 HH22 ARG 3 -8.679 8.654 -0.874
22 H GLY 4 HN GLY 4 -2.293 4.401 -2.446
23 HA2 GLY 4 HA2 GLY 4 -1.433 2.122 -0.883
24 HA3 GLY 4 HA1 GLY 4 -1.703 1.756 -2.586
25 H PHE 5 HN PHE 5 0.801 1.428 -1.560
26 HA PHE 5 HA PHE 5 2.367 3.127 -3.243
27 HB2 PHE 5 HB2 PHE 5 1.888 4.484 -1.068
28 HB3 PHE 5 HB1 PHE 5 3.061 3.391 -0.334
29 HD1 PHE 5 HD1 PHE 5 5.372 3.764 -0.600
30 HD2 PHE 5 HD2 PHE 5 2.589 5.703 -3.235
31 HE1 PHE 5 HE1 PHE 5 7.223 5.095 -1.575
32 HE2 PHE 5 HE2 PHE 5 4.440 7.034 -4.211
33 HZ PHE 5 HZ PHE 5 6.757 6.730 -3.381
34 H ARG 6 HN ARG 6 4.644 2.516 -3.230
35 HA ARG 6 HA ARG 6 5.053 -0.223 -2.180
36 HB2 ARG 6 HB2 ARG 6 5.244 0.797 -4.829
37 HB3 ARG 6 HB1 ARG 6 6.883 0.435 -4.290
38 HG2 ARG 6 HG2 ARG 6 5.975 -1.572 -5.284
39 HG3 ARG 6 HG1 ARG 6 6.056 -1.829 -3.541
40 HD2 ARG 6 HD2 ARG 6 3.866 -2.361 -3.635
41 HD3 ARG 6 HD1 ARG 6 3.557 -0.653 -3.934
42 HE ARG 6 HE ARG 6 4.223 -2.152 -6.318
43 HH11 ARG 6 HH11 ARG 6 2.547 -2.360 -7.836
44 HH12 ARG 6 HH12 ARG 6 0.918 -1.990 -7.376
45 HH21 ARG 6 HH21 ARG 6 1.750 -1.147 -4.116
46 HH22 ARG 6 HH22 ARG 6 0.467 -1.304 -5.269
47 H PHE 7 HN PHE 7 6.598 -0.430 -0.681
48 HA PHE 7 HA PHE 7 8.860 1.456 -0.714
49 HB2 PHE 7 HB2 PHE 7 6.769 1.358 1.249
50 HB3 PHE 7 HB1 PHE 7 8.273 0.864 2.017
51 HD1 PHE 7 HD1 PHE 7 10.389 2.387 0.888
52 HD2 PHE 7 HD2 PHE 7 6.316 3.623 1.545
53 HE1 PHE 7 HE1 PHE 7 11.111 4.753 0.956
54 HE2 PHE 7 HE2 PHE 7 7.050 5.987 1.607
55 HZ PHE 7 HZ PHE 7 9.446 6.553 1.313
56 HA DPR 8 HA DPR 8 11.723 -1.846 -0.558
57 HB2 DPR 8 HB2 DPR 8 11.657 -3.158 -2.476
58 HB3 DPR 8 HB1 DPR 8 9.893 -3.340 -2.407
59 HG2 DPR 8 HG2 DPR 8 11.521 -1.083 -3.423
60 HG3 DPR 8 HG1 DPR 8 9.952 -1.688 -3.977
61 HD2 DPR 8 HD2 DPR 8 10.375 0.544 -2.291
62 HD3 DPR 8 HD1 DPR 8 8.821 -0.255 -2.609
63 HA PRO 9 HA PRO 9 10.254 -5.247 1.954
64 HB2 PRO 9 HB2 PRO 9 10.813 -4.317 4.452
65 HB3 PRO 9 HB1 PRO 9 12.070 -4.863 3.324
66 HG2 PRO 9 HG2 PRO 9 11.198 -2.094 3.992
67 HG3 PRO 9 HG1 PRO 9 12.830 -2.732 3.728
68 HD2 PRO 9 HD2 PRO 9 11.451 -1.330 1.818
69 HD3 PRO 9 HD1 PRO 9 12.677 -2.561 1.434
70 H LYS 10 HN LYS 10 8.534 -2.560 1.505
71 HA LYS 10 HA LYS 10 6.271 -3.551 2.984
72 HB2 LYS 10 HB2 LYS 10 7.571 -2.171 4.670
73 HB3 LYS 10 HB1 LYS 10 7.263 -0.772 3.652
74 HG2 LYS 10 HG2 LYS 10 4.755 -1.405 3.877
75 HG3 LYS 10 HG1 LYS 10 5.276 -2.417 5.227
76 HD2 LYS 10 HD2 LYS 10 6.387 -0.415 6.229
77 HD3 LYS 10 HD1 LYS 10 5.705 0.567 4.932
78 HE2 LYS 10 HE2 LYS 10 3.440 -0.570 5.702
79 HE3 LYS 10 HE1 LYS 10 4.316 -0.785 7.217
80 HZ1 LYS 10 HZ1 LYS 10 3.943 1.790 5.786
81 HZ2 LYS 10 HZ2 LYS 10 4.789 1.581 7.244
82 HZ3 LYS 10 HZ3 LYS 10 3.112 1.308 7.184
83 H ILE 11 HN ILE 11 4.324 -2.667 2.324
84 HA ILE 11 HA ILE 11 4.311 -0.572 0.292
85 HB ILE 11 HB ILE 11 3.292 -1.842 -1.421
86 HG12 ILE 11 HG12 ILE 11 3.056 -4.463 -0.733
87 HG13 ILE 11 HG11 ILE 11 2.691 -3.706 0.814
88 HG21 ILE 11 HG21 ILE 11 5.748 -2.215 -1.154
89 HG22 ILE 11 HG22 ILE 11 4.919 -3.568 -1.918
90 HG23 ILE 11 HG23 ILE 11 5.391 -3.669 -0.224
91 HD11 ILE 11 HD11 ILE 11 1.213 -3.527 -1.785
92 HD12 ILE 11 HD12 ILE 11 1.147 -2.148 -0.690
93 HD13 ILE 11 HD13 ILE 11 0.579 -3.727 -0.153
94 H ILE 12 HN ILE 12 2.309 0.442 0.059
95 HA ILE 12 HA ILE 12 0.400 -0.168 2.222
96 HB ILE 12 HB ILE 12 0.520 2.329 0.523
97 HG12 ILE 12 HG12 ILE 12 2.665 2.163 1.624
98 HG13 ILE 12 HG11 ILE 12 1.694 3.323 2.529
99 HG21 ILE 12 HG21 ILE 12 -0.691 3.280 2.487
100 HG22 ILE 12 HG22 ILE 12 -0.728 1.670 3.206
101 HG23 ILE 12 HG23 ILE 12 -1.587 1.983 1.697
102 HD11 ILE 12 HD11 ILE 12 1.003 1.281 3.984
103 HD12 ILE 12 HD12 ILE 12 2.616 1.955 4.211
104 HD13 ILE 12 HD13 ILE 12 2.400 0.486 3.261
105 H ARG 13 HN ARG 13 -1.773 -0.464 1.817
106 HA ARG 13 HA ARG 13 -2.929 -0.144 -0.783
107 HB2 ARG 13 HB2 ARG 13 -3.026 -2.307 -1.570
108 HB3 ARG 13 HB1 ARG 13 -1.458 -2.351 -0.765
109 HG2 ARG 13 HG2 ARG 13 -2.776 -3.114 1.331
110 HG3 ARG 13 HG1 ARG 13 -4.097 -3.446 0.210
111 HD2 ARG 13 HD2 ARG 13 -1.432 -4.778 0.447
112 HD3 ARG 13 HD1 ARG 13 -3.020 -5.492 0.185
113 HE ARG 13 HE ARG 13 -2.467 -3.993 -2.088
114 HH11 ARG 13 HH11 ARG 13 -1.553 -4.961 -3.929
115 HH12 ARG 13 HH12 ARG 13 -0.653 -6.432 -3.769
116 HH21 ARG 13 HH21 ARG 13 -1.087 -6.640 -0.336
117 HH22 ARG 13 HH22 ARG 13 -0.388 -7.382 -1.736
118 H ASN 14 HN ASN 14 -5.194 -0.887 -0.837
119 HA ASN 14 HA ASN 14 -6.369 -1.329 1.827
120 HB2 ASN 14 HB2 ASN 14 -6.371 1.161 0.651
121 HB3 ASN 14 HB1 ASN 14 -7.923 0.496 0.141
122 HD21 ASN 14 HD21 ASN 14 -5.926 0.692 3.150
123 HD22 ASN 14 HD22 ASN 14 -7.252 0.957 4.177
124 H GLU 15 HN GLU 15 -8.968 -1.402 1.303
125 HA GLU 15 HA GLU 15 -9.365 -3.115 -1.058
126 HB2 GLU 15 HB2 GLU 15 -8.932 -4.391 1.186
127 HB3 GLU 15 HB1 GLU 15 -10.588 -3.909 1.563
128 HG2 GLU 15 HG2 GLU 15 -11.148 -4.831 -0.808
129 HG3 GLU 15 HG1 GLU 15 -9.602 -5.666 -0.674
130 H ARG 16 HN ARG 16 -10.435 -0.697 1.076
131 HA ARG 16 HA ARG 16 -13.086 -0.651 -0.241
132 HB2 ARG 16 HB2 ARG 16 -13.048 -1.240 2.257
133 HB3 ARG 16 HB1 ARG 16 -12.554 0.432 2.523
134 HG2 ARG 16 HG2 ARG 16 -14.563 1.242 1.387
135 HG3 ARG 16 HG1 ARG 16 -15.048 -0.414 1.017
136 HD2 ARG 16 HD2 ARG 16 -14.561 0.474 3.856
137 HD3 ARG 16 HD1 ARG 16 -16.124 0.713 3.081
138 HE ARG 16 HE ARG 16 -15.093 -1.760 4.076
139 HH11 ARG 16 HH11 ARG 16 -16.332 -3.623 3.687
140 HH12 ARG 16 HH12 ARG 16 -17.550 -3.605 2.456
141 HH21 ARG 16 HH21 ARG 16 -16.956 -0.314 1.542
142 HH22 ARG 16 HH22 ARG 16 -17.903 -1.732 1.241
Start of MODEL 4
1 H1 GLY 1 HN GLY 1 -9.373 1.656 1.550
2 HA2 GLY 1 HA2 GLY 1 -10.792 3.608 -0.038
3 HA3 GLY 1 HA1 GLY 1 -10.631 4.064 1.655
4 H SER 2 HN SER 2 -8.014 2.350 1.478
5 HA SER 2 HA SER 2 -6.180 4.434 1.417
6 HB2 SER 2 HB2 SER 2 -6.090 1.585 1.614
7 HB3 SER 2 HB1 SER 2 -4.869 2.098 0.453
8 HG SER 2 HG SER 2 -4.939 3.760 2.575
9 H ARG 3 HN ARG 3 -4.156 3.951 -0.301
10 HA ARG 3 HA ARG 3 -5.297 4.082 -3.014
11 HB2 ARG 3 HB2 ARG 3 -3.242 6.066 -2.025
12 HB3 ARG 3 HB1 ARG 3 -4.118 6.087 -3.556
13 HG2 ARG 3 HG2 ARG 3 -6.240 6.116 -1.973
14 HG3 ARG 3 HG1 ARG 3 -5.092 6.777 -0.808
15 HD2 ARG 3 HD2 ARG 3 -6.047 8.652 -1.951
16 HD3 ARG 3 HD1 ARG 3 -4.419 8.453 -2.592
17 HE ARG 3 HE ARG 3 -5.921 7.000 -4.323
18 HH11 ARG 3 HH11 ARG 3 -6.949 7.863 -6.155
19 HH12 ARG 3 HH12 ARG 3 -7.399 9.535 -6.182
20 HH21 ARG 3 HH21 ARG 3 -6.180 10.188 -3.003
21 HH22 ARG 3 HH22 ARG 3 -6.964 10.851 -4.397
22 H GLY 4 HN GLY 4 -3.582 2.198 -1.319
23 HA2 GLY 4 HA2 GLY 4 -1.787 0.788 -1.645
24 HA3 GLY 4 HA1 GLY 4 -1.960 1.179 -3.359
25 H PHE 5 HN PHE 5 0.541 0.745 -2.066
26 HA PHE 5 HA PHE 5 1.979 3.027 -2.964
27 HB2 PHE 5 HB2 PHE 5 1.029 3.839 -0.741
28 HB3 PHE 5 HB1 PHE 5 2.070 2.642 0.029
29 HD1 PHE 5 HD1 PHE 5 4.207 3.321 0.683
30 HD2 PHE 5 HD2 PHE 5 2.272 5.325 -2.593
31 HE1 PHE 5 HE1 PHE 5 6.125 4.880 0.500
32 HE2 PHE 5 HE2 PHE 5 4.193 6.882 -2.772
33 HZ PHE 5 HZ PHE 5 6.118 6.660 -1.225
34 H ARG 6 HN ARG 6 4.344 2.835 -2.411
35 HA ARG 6 HA ARG 6 5.121 0.022 -1.930
36 HB2 ARG 6 HB2 ARG 6 5.263 1.175 -4.404
37 HB3 ARG 6 HB1 ARG 6 6.820 1.665 -3.739
38 HG2 ARG 6 HG2 ARG 6 7.464 -0.624 -3.331
39 HG3 ARG 6 HG1 ARG 6 5.842 -1.208 -3.715
40 HD2 ARG 6 HD2 ARG 6 7.958 -1.011 -5.498
41 HD3 ARG 6 HD1 ARG 6 6.261 -1.210 -5.925
42 HE ARG 6 HE ARG 6 7.126 1.539 -5.496
43 HH11 ARG 6 HH11 ARG 6 6.959 2.876 -7.323
44 HH12 ARG 6 HH12 ARG 6 6.675 2.175 -8.880
45 HH21 ARG 6 HH21 ARG 6 6.600 -1.083 -7.695
46 HH22 ARG 6 HH22 ARG 6 6.472 -0.067 -9.091
47 H PHE 7 HN PHE 7 6.507 -0.178 -0.294
48 HA PHE 7 HA PHE 7 8.311 2.069 0.325
49 HB2 PHE 7 HB2 PHE 7 6.060 1.378 1.841
50 HB3 PHE 7 HB1 PHE 7 7.416 0.717 2.742
51 HD1 PHE 7 HD1 PHE 7 9.612 2.543 2.326
52 HD2 PHE 7 HD2 PHE 7 5.420 3.433 2.741
53 HE1 PHE 7 HE1 PHE 7 10.170 4.821 3.125
54 HE2 PHE 7 HE2 PHE 7 5.988 5.709 3.537
55 HZ PHE 7 HZ PHE 7 8.360 6.404 3.729
56 HA DPR 8 HA DPR 8 11.789 -0.581 0.370
57 HB2 DPR 8 HB2 DPR 8 12.256 -1.455 -1.731
58 HB3 DPR 8 HB1 DPR 8 10.586 -1.999 -1.983
59 HG2 DPR 8 HG2 DPR 8 11.765 0.701 -2.308
60 HG3 DPR 8 HG1 DPR 8 10.466 -0.085 -3.219
61 HD2 DPR 8 HD2 DPR 8 10.124 1.797 -1.144
62 HD3 DPR 8 HD1 DPR 8 8.859 0.755 -1.831
63 HA PRO 9 HA PRO 9 10.828 -4.654 1.967
64 HB2 PRO 9 HB2 PRO 9 10.861 -4.165 4.648
65 HB3 PRO 9 HB1 PRO 9 12.333 -4.231 3.661
66 HG2 PRO 9 HG2 PRO 9 10.826 -1.865 4.655
67 HG3 PRO 9 HG1 PRO 9 12.575 -2.123 4.540
68 HD2 PRO 9 HD2 PRO 9 11.162 -0.641 2.717
69 HD3 PRO 9 HD1 PRO 9 12.657 -1.516 2.316
70 H LYS 10 HN LYS 10 8.670 -2.269 1.774
71 HA LYS 10 HA LYS 10 6.487 -3.934 2.714
72 HB2 LYS 10 HB2 LYS 10 6.511 -2.903 4.742
73 HB3 LYS 10 HB1 LYS 10 7.376 -1.494 4.140
74 HG2 LYS 10 HG2 LYS 10 5.354 -0.552 3.221
75 HG3 LYS 10 HG1 LYS 10 4.462 -2.047 3.514
76 HD2 LYS 10 HD2 LYS 10 4.058 -1.501 5.663
77 HD3 LYS 10 HD1 LYS 10 5.734 -1.017 5.932
78 HE2 LYS 10 HE2 LYS 10 3.765 0.702 4.408
79 HE3 LYS 10 HE1 LYS 10 4.003 0.843 6.150
80 HZ1 LYS 10 HZ1 LYS 10 6.069 1.191 4.046
81 HZ2 LYS 10 HZ2 LYS 10 6.384 1.202 5.716
82 HZ3 LYS 10 HZ3 LYS 10 5.406 2.408 5.025
83 H ILE 11 HN ILE 11 4.488 -3.357 1.845
84 HA ILE 11 HA ILE 11 4.356 -1.086 0.015
85 HB ILE 11 HB ILE 11 3.832 -2.325 -1.933
86 HG12 ILE 11 HG12 ILE 11 4.060 -5.003 -1.499
87 HG13 ILE 11 HG11 ILE 11 3.339 -4.501 0.026
88 HG21 ILE 11 HG21 ILE 11 6.255 -2.241 -1.333
89 HG22 ILE 11 HG22 ILE 11 5.831 -3.635 -2.324
90 HG23 ILE 11 HG23 ILE 11 6.091 -3.833 -0.593
91 HD11 ILE 11 HD11 ILE 11 2.225 -4.322 -2.751
92 HD12 ILE 11 HD12 ILE 11 1.721 -3.123 -1.562
93 HD13 ILE 11 HD13 ILE 11 1.432 -4.836 -1.263
94 H ILE 12 HN ILE 12 2.290 -0.368 -0.382
95 HA ILE 12 HA ILE 12 0.187 -1.631 1.264
96 HB ILE 12 HB ILE 12 0.247 1.186 0.163
97 HG12 ILE 12 HG12 ILE 12 2.107 0.976 1.696
98 HG13 ILE 12 HG11 ILE 12 0.807 1.823 2.534
99 HG21 ILE 12 HG21 ILE 12 -1.482 -0.262 2.177
100 HG22 ILE 12 HG22 ILE 12 -1.989 0.510 0.675
101 HG23 ILE 12 HG23 ILE 12 -1.447 1.495 2.034
102 HD11 ILE 12 HD11 ILE 12 1.484 0.230 4.117
103 HD12 ILE 12 HD12 ILE 12 1.751 -1.012 2.895
104 HD13 ILE 12 HD13 ILE 12 0.109 -0.561 3.349
105 H ARG 13 HN ARG 13 -1.993 -1.606 0.410
106 HA ARG 13 HA ARG 13 -2.130 -1.569 -2.540
107 HB2 ARG 13 HB2 ARG 13 -1.992 -3.905 -1.260
108 HB3 ARG 13 HB1 ARG 13 -3.715 -3.596 -1.054
109 HG2 ARG 13 HG2 ARG 13 -3.690 -4.713 -3.103
110 HG3 ARG 13 HG1 ARG 13 -3.639 -3.027 -3.617
111 HD2 ARG 13 HD2 ARG 13 -0.998 -3.463 -3.334
112 HD3 ARG 13 HD1 ARG 13 -1.510 -5.105 -3.713
113 HE ARG 13 HE ARG 13 -2.740 -3.700 -5.649
114 HH11 ARG 13 HH11 ARG 13 -1.794 -3.055 -7.610
115 HH12 ARG 13 HH12 ARG 13 -0.083 -2.804 -7.700
116 HH21 ARG 13 HH21 ARG 13 0.477 -3.610 -4.374
117 HH22 ARG 13 HH22 ARG 13 1.203 -3.118 -5.868
118 H ASN 14 HN ASN 14 -4.904 -2.599 -2.332
119 HA ASN 14 HA ASN 14 -6.299 -0.473 -0.896
120 HB2 ASN 14 HB2 ASN 14 -6.387 -0.807 -3.895
121 HB3 ASN 14 HB1 ASN 14 -7.613 0.076 -2.987
122 HD21 ASN 14 HD21 ASN 14 -5.799 1.238 -1.013
123 HD22 ASN 14 HD22 ASN 14 -4.841 2.374 -1.827
124 H GLU 15 HN GLU 15 -8.398 -0.954 -0.385
125 HA GLU 15 HA GLU 15 -9.997 -2.948 -1.541
126 HB2 GLU 15 HB2 GLU 15 -7.935 -3.986 0.153
127 HB3 GLU 15 HB1 GLU 15 -9.492 -4.233 0.943
128 HG2 GLU 15 HG2 GLU 15 -10.376 -5.261 -1.122
129 HG3 GLU 15 HG1 GLU 15 -8.814 -5.026 -1.904
130 H ARG 16 HN ARG 16 -9.510 -0.379 0.313
131 HA ARG 16 HA ARG 16 -12.162 -0.578 1.549
132 HB2 ARG 16 HB2 ARG 16 -10.048 -1.083 3.126
133 HB3 ARG 16 HB1 ARG 16 -10.039 0.679 3.212
134 HG2 ARG 16 HG2 ARG 16 -11.488 0.169 4.956
135 HG3 ARG 16 HG1 ARG 16 -12.632 0.366 3.628
136 HD2 ARG 16 HD2 ARG 16 -12.234 -2.191 3.247
137 HD3 ARG 16 HD1 ARG 16 -11.633 -2.170 4.901
138 HE ARG 16 HE ARG 16 -13.814 -1.769 5.653
139 HH11 ARG 16 HH11 ARG 16 -16.058 -1.731 5.313
140 HH12 ARG 16 HH12 ARG 16 -16.684 -1.612 3.702
141 HH21 ARG 16 HH21 ARG 16 -13.556 -1.525 2.210
142 HH22 ARG 16 HH22 ARG 16 -15.267 -1.496 1.946
Start of MODEL 5
1 H1 GLY 1 HN GLY 1 -9.012 6.540 -3.469
2 HA2 GLY 1 HA2 GLY 1 -6.204 6.956 -3.932
3 HA3 GLY 1 HA1 GLY 1 -7.377 8.179 -3.449
4 H SER 2 HN SER 2 -7.674 5.582 -1.403
5 HA SER 2 HA SER 2 -6.819 6.930 0.894
6 HB2 SER 2 HB2 SER 2 -7.025 3.940 0.485
7 HB3 SER 2 HB1 SER 2 -7.036 4.786 2.030
8 HG SER 2 HG SER 2 -9.100 4.957 1.727
9 H ARG 3 HN ARG 3 -5.353 3.971 1.154
10 HA ARG 3 HA ARG 3 -2.665 5.108 0.637
11 HB2 ARG 3 HB2 ARG 3 -2.982 2.967 2.681
12 HB3 ARG 3 HB1 ARG 3 -1.859 4.324 2.636
13 HG2 ARG 3 HG2 ARG 3 -3.262 5.034 4.330
14 HG3 ARG 3 HG1 ARG 3 -4.102 5.738 2.949
15 HD2 ARG 3 HD2 ARG 3 -5.842 4.633 4.040
16 HD3 ARG 3 HD1 ARG 3 -5.331 3.417 2.872
17 HE ARG 3 HE ARG 3 -4.627 2.102 4.644
18 HH11 ARG 3 HH11 ARG 3 -4.255 1.669 6.843
19 HH12 ARG 3 HH12 ARG 3 -4.292 2.965 7.993
20 HH21 ARG 3 HH21 ARG 3 -4.992 5.400 5.626
21 HH22 ARG 3 HH22 ARG 3 -4.709 5.077 7.304
22 H GLY 4 HN GLY 4 -1.568 4.059 -0.863
23 HA2 GLY 4 HA2 GLY 4 -1.384 1.215 -1.017
24 HA3 GLY 4 HA1 GLY 4 -2.442 1.847 -2.282
25 H PHE 5 HN PHE 5 0.652 0.959 -1.682
26 HA PHE 5 HA PHE 5 1.746 1.691 -4.098
27 HB2 PHE 5 HB2 PHE 5 1.716 3.991 -3.773
28 HB3 PHE 5 HB1 PHE 5 1.986 3.852 -2.034
29 HD1 PHE 5 HD1 PHE 5 3.621 3.324 -5.350
30 HD2 PHE 5 HD2 PHE 5 4.170 3.997 -1.142
31 HE1 PHE 5 HE1 PHE 5 6.053 3.634 -5.718
32 HE2 PHE 5 HE2 PHE 5 6.603 4.308 -1.512
33 HZ PHE 5 HZ PHE 5 7.544 4.127 -3.799
34 H ARG 6 HN ARG 6 3.415 0.338 -4.298
35 HA ARG 6 HA ARG 6 4.500 -1.173 -2.213
36 HB2 ARG 6 HB2 ARG 6 4.829 -0.976 -5.023
37 HB3 ARG 6 HB1 ARG 6 6.438 -0.807 -4.324
38 HG2 ARG 6 HG2 ARG 6 6.120 -3.148 -4.639
39 HG3 ARG 6 HG1 ARG 6 5.889 -2.877 -2.914
40 HD2 ARG 6 HD2 ARG 6 3.981 -4.091 -3.301
41 HD3 ARG 6 HD1 ARG 6 3.353 -2.507 -3.747
42 HE ARG 6 HE ARG 6 4.581 -3.888 -5.959
43 HH11 ARG 6 HH11 ARG 6 3.170 -4.582 -7.598
44 HH12 ARG 6 HH12 ARG 6 1.467 -4.649 -7.296
45 HH21 ARG 6 HH21 ARG 6 1.733 -3.515 -4.030
46 HH22 ARG 6 HH22 ARG 6 0.652 -4.043 -5.276
47 H PHE 7 HN PHE 7 6.202 -0.886 -0.820
48 HA PHE 7 HA PHE 7 7.882 1.510 -1.177
49 HB2 PHE 7 HB2 PHE 7 5.800 1.533 0.569
50 HB3 PHE 7 HB1 PHE 7 7.082 0.933 1.616
51 HD1 PHE 7 HD1 PHE 7 9.474 2.287 0.474
52 HD2 PHE 7 HD2 PHE 7 5.502 3.782 1.184
53 HE1 PHE 7 HE1 PHE 7 10.371 4.588 0.659
54 HE2 PHE 7 HE2 PHE 7 6.407 6.082 1.368
55 HZ PHE 7 HZ PHE 7 8.839 6.486 1.106
56 HA DPR 8 HA DPR 8 11.501 -0.872 -0.596
57 HB2 DPR 8 HB2 DPR 8 11.775 -2.515 -2.219
58 HB3 DPR 8 HB1 DPR 8 10.120 -3.126 -2.017
59 HG2 DPR 8 HG2 DPR 8 11.096 -0.774 -3.535
60 HG3 DPR 8 HG1 DPR 8 9.738 -1.859 -3.875
61 HD2 DPR 8 HD2 DPR 8 9.570 0.697 -2.668
62 HD3 DPR 8 HD1 DPR 8 8.277 -0.519 -2.748
63 HA PRO 9 HA PRO 9 11.025 -3.943 2.619
64 HB2 PRO 9 HB2 PRO 9 11.224 -2.379 4.850
65 HB3 PRO 9 HB1 PRO 9 12.615 -2.798 3.831
66 HG2 PRO 9 HG2 PRO 9 11.016 -0.289 3.912
67 HG3 PRO 9 HG1 PRO 9 12.764 -0.510 3.727
68 HD2 PRO 9 HD2 PRO 9 11.103 0.029 1.618
69 HD3 PRO 9 HD1 PRO 9 12.615 -0.894 1.455
70 H LYS 10 HN LYS 10 8.648 -1.982 1.696
71 HA LYS 10 HA LYS 10 6.681 -3.250 3.366
72 HB2 LYS 10 HB2 LYS 10 6.838 -1.648 4.977
73 HB3 LYS 10 HB1 LYS 10 7.535 -0.459 3.884
74 HG2 LYS 10 HG2 LYS 10 5.369 0.074 2.963
75 HG3 LYS 10 HG1 LYS 10 4.622 -1.293 3.795
76 HD2 LYS 10 HD2 LYS 10 6.072 0.657 5.501
77 HD3 LYS 10 HD1 LYS 10 4.565 1.217 4.774
78 HE2 LYS 10 HE2 LYS 10 3.372 -0.715 5.702
79 HE3 LYS 10 HE1 LYS 10 4.875 -1.334 6.386
80 HZ1 LYS 10 HZ1 LYS 10 3.455 1.165 7.111
81 HZ2 LYS 10 HZ2 LYS 10 5.037 0.813 7.621
82 HZ3 LYS 10 HZ3 LYS 10 3.747 -0.183 8.097
83 H ILE 11 HN ILE 11 4.575 -3.016 2.590
84 HA ILE 11 HA ILE 11 4.226 -1.504 0.096
85 HB ILE 11 HB ILE 11 3.420 -3.341 -1.153
86 HG12 ILE 11 HG12 ILE 11 3.448 -5.670 0.119
87 HG13 ILE 11 HG11 ILE 11 3.237 -4.660 1.544
88 HG21 ILE 11 HG21 ILE 11 5.321 -4.677 -1.370
89 HG22 ILE 11 HG22 ILE 11 5.646 -4.674 0.362
90 HG23 ILE 11 HG23 ILE 11 5.959 -3.228 -0.597
91 HD11 ILE 11 HD11 ILE 11 1.283 -5.433 -0.450
92 HD12 ILE 11 HD12 ILE 11 1.376 -3.678 -0.352
93 HD13 ILE 11 HD13 ILE 11 1.027 -4.624 1.092
94 H ILE 12 HN ILE 12 2.345 -0.469 0.023
95 HA ILE 12 HA ILE 12 0.316 -1.146 2.061
96 HB ILE 12 HB ILE 12 0.589 1.438 0.513
97 HG12 ILE 12 HG12 ILE 12 2.615 1.177 1.807
98 HG13 ILE 12 HG11 ILE 12 1.577 2.320 2.657
99 HG21 ILE 12 HG21 ILE 12 -1.611 1.183 1.418
100 HG22 ILE 12 HG22 ILE 12 -0.748 2.268 2.506
101 HG23 ILE 12 HG23 ILE 12 -0.982 0.579 2.950
102 HD11 ILE 12 HD11 ILE 12 0.710 0.212 3.934
103 HD12 ILE 12 HD12 ILE 12 2.277 0.884 4.377
104 HD13 ILE 12 HD13 ILE 12 2.189 -0.545 3.348
105 H ARG 13 HN ARG 13 -1.955 -0.852 1.416
106 HA ARG 13 HA ARG 13 -2.644 -0.795 -1.370
107 HB2 ARG 13 HB2 ARG 13 -2.027 -3.004 -1.608
108 HB3 ARG 13 HB1 ARG 13 -2.393 -3.391 0.070
109 HG2 ARG 13 HG2 ARG 13 -4.721 -3.506 -0.338
110 HG3 ARG 13 HG1 ARG 13 -4.580 -2.634 -1.866
111 HD2 ARG 13 HD2 ARG 13 -3.499 -5.410 -1.309
112 HD3 ARG 13 HD1 ARG 13 -4.937 -5.040 -2.256
113 HE ARG 13 HE ARG 13 -3.034 -3.613 -3.538
114 HH11 ARG 13 HH11 ARG 13 -1.672 -4.436 -5.160
115 HH12 ARG 13 HH12 ARG 13 -1.291 -6.126 -5.187
116 HH21 ARG 13 HH21 ARG 13 -3.186 -6.870 -2.380
117 HH22 ARG 13 HH22 ARG 13 -2.147 -7.504 -3.613
118 H ASN 14 HN ASN 14 -4.812 -0.435 -1.680
119 HA ASN 14 HA ASN 14 -6.643 -0.736 0.587
120 HB2 ASN 14 HB2 ASN 14 -7.472 1.590 0.278
121 HB3 ASN 14 HB1 ASN 14 -5.812 1.525 0.869
122 HD21 ASN 14 HD21 ASN 14 -4.231 1.232 -1.297
123 HD22 ASN 14 HD22 ASN 14 -4.514 2.439 -2.458
124 H GLU 15 HN GLU 15 -8.001 1.407 -1.466
125 HA GLU 15 HA GLU 15 -8.763 -0.383 -3.606
126 HB2 GLU 15 HB2 GLU 15 -10.193 -1.209 -1.784
127 HB3 GLU 15 HB1 GLU 15 -10.813 0.421 -1.526
128 HG2 GLU 15 HG2 GLU 15 -10.982 -0.569 -4.313
129 HG3 GLU 15 HG1 GLU 15 -12.007 -1.407 -3.151
130 H ARG 16 HN ARG 16 -8.168 2.616 -2.418
131 HA ARG 16 HA ARG 16 -9.235 3.895 -4.797
132 HB2 ARG 16 HB2 ARG 16 -10.940 3.889 -2.738
133 HB3 ARG 16 HB1 ARG 16 -9.965 5.279 -2.266
134 HG2 ARG 16 HG2 ARG 16 -11.579 6.287 -3.618
135 HG3 ARG 16 HG1 ARG 16 -10.285 5.994 -4.779
136 HD2 ARG 16 HD2 ARG 16 -11.561 3.640 -4.986
137 HD3 ARG 16 HD1 ARG 16 -12.925 4.644 -4.501
138 HE ARG 16 HE ARG 16 -11.841 6.105 -6.493
139 HH11 ARG 16 HH11 ARG 16 -12.284 5.822 -8.703
140 HH12 ARG 16 HH12 ARG 16 -12.770 4.266 -9.291
141 HH21 ARG 16 HH21 ARG 16 -12.623 2.748 -6.177
142 HH22 ARG 16 HH22 ARG 16 -12.962 2.527 -7.860
Start of MODEL 6
1 H1 GLY 1 HN GLY 1 -8.555 1.923 -1.935
2 HA2 GLY 1 HA2 GLY 1 -10.947 3.228 -2.524
3 HA3 GLY 1 HA1 GLY 1 -11.245 2.240 -1.099
4 H SER 2 HN SER 2 -8.127 2.763 -0.741
5 HA SER 2 HA SER 2 -8.356 5.474 0.395
6 HB2 SER 2 HB2 SER 2 -6.894 3.409 1.972
7 HB3 SER 2 HB1 SER 2 -7.746 4.849 2.521
8 HG SER 2 HG SER 2 -9.145 2.733 1.300
9 H ARG 3 HN ARG 3 -7.013 4.241 -1.979
10 HA ARG 3 HA ARG 3 -5.029 4.480 -3.110
11 HB2 ARG 3 HB2 ARG 3 -4.080 6.232 -0.845
12 HB3 ARG 3 HB1 ARG 3 -3.643 6.313 -2.552
13 HG2 ARG 3 HG2 ARG 3 -6.124 6.797 -3.001
14 HG3 ARG 3 HG1 ARG 3 -6.267 7.076 -1.265
15 HD2 ARG 3 HD2 ARG 3 -5.672 9.208 -1.782
16 HD3 ARG 3 HD1 ARG 3 -4.041 8.548 -1.854
17 HE ARG 3 HE ARG 3 -4.083 8.962 -4.125
18 HH11 ARG 3 HH11 ARG 3 -5.074 9.416 -6.118
19 HH12 ARG 3 HH12 ARG 3 -6.802 9.406 -6.242
20 HH21 ARG 3 HH21 ARG 3 -7.302 8.598 -2.908
21 HH22 ARG 3 HH22 ARG 3 -8.063 8.942 -4.425
22 H GLY 4 HN GLY 4 -2.959 3.585 -3.197
23 HA2 GLY 4 HA2 GLY 4 -1.982 2.266 -0.737
24 HA3 GLY 4 HA1 GLY 4 -2.146 1.360 -2.242
25 H PHE 5 HN PHE 5 0.306 1.656 -0.857
26 HA PHE 5 HA PHE 5 1.867 2.956 -2.967
27 HB2 PHE 5 HB2 PHE 5 1.548 4.681 -1.213
28 HB3 PHE 5 HB1 PHE 5 2.287 3.595 -0.039
29 HD1 PHE 5 HD1 PHE 5 4.613 3.633 0.269
30 HD2 PHE 5 HD2 PHE 5 2.936 5.150 -3.386
31 HE1 PHE 5 HE1 PHE 5 6.860 4.403 -0.445
32 HE2 PHE 5 HE2 PHE 5 5.184 5.918 -4.098
33 HZ PHE 5 HZ PHE 5 7.145 5.544 -2.628
34 H ARG 6 HN ARG 6 4.109 2.317 -2.964
35 HA ARG 6 HA ARG 6 4.564 -0.261 -1.579
36 HB2 ARG 6 HB2 ARG 6 4.421 0.094 -4.288
37 HB3 ARG 6 HB1 ARG 6 6.138 0.386 -4.017
38 HG2 ARG 6 HG2 ARG 6 6.420 -1.783 -2.976
39 HG3 ARG 6 HG1 ARG 6 4.676 -2.069 -2.993
40 HD2 ARG 6 HD2 ARG 6 6.475 -1.788 -5.412
41 HD3 ARG 6 HD1 ARG 6 5.705 -3.267 -4.847
42 HE ARG 6 HE ARG 6 3.701 -1.340 -5.283
43 HH11 ARG 6 HH11 ARG 6 2.489 -1.423 -7.202
44 HH12 ARG 6 HH12 ARG 6 3.116 -2.264 -8.579
45 HH21 ARG 6 HH21 ARG 6 6.055 -3.207 -6.999
46 HH22 ARG 6 HH22 ARG 6 5.136 -3.274 -8.465
47 H PHE 7 HN PHE 7 6.452 -0.534 -0.474
48 HA PHE 7 HA PHE 7 8.470 1.607 -0.642
49 HB2 PHE 7 HB2 PHE 7 6.668 1.299 1.479
50 HB3 PHE 7 HB1 PHE 7 8.174 0.623 2.083
51 HD1 PHE 7 HD1 PHE 7 10.282 2.183 0.875
52 HD2 PHE 7 HD2 PHE 7 6.413 3.491 2.237
53 HE1 PHE 7 HE1 PHE 7 11.164 4.476 1.193
54 HE2 PHE 7 HE2 PHE 7 7.305 5.781 2.550
55 HZ PHE 7 HZ PHE 7 9.678 6.274 2.029
56 HA DPR 8 HA DPR 8 11.669 -1.335 -1.138
57 HB2 DPR 8 HB2 DPR 8 11.509 -2.479 -3.154
58 HB3 DPR 8 HB1 DPR 8 9.802 -2.890 -2.897
59 HG2 DPR 8 HG2 DPR 8 11.013 -0.361 -3.862
60 HG3 DPR 8 HG1 DPR 8 9.479 -1.125 -4.308
61 HD2 DPR 8 HD2 DPR 8 9.790 1.001 -2.485
62 HD3 DPR 8 HD1 DPR 8 8.340 -0.006 -2.676
63 HA PRO 9 HA PRO 9 10.846 -5.093 1.174
64 HB2 PRO 9 HB2 PRO 9 11.732 -4.370 3.640
65 HB3 PRO 9 HB1 PRO 9 12.834 -4.675 2.282
66 HG2 PRO 9 HG2 PRO 9 11.861 -2.084 3.385
67 HG3 PRO 9 HG1 PRO 9 13.479 -2.534 2.816
68 HD2 PRO 9 HD2 PRO 9 11.702 -1.088 1.299
69 HD3 PRO 9 HD1 PRO 9 12.961 -2.136 0.606
70 H LYS 10 HN LYS 10 8.913 -2.542 1.226
71 HA LYS 10 HA LYS 10 7.022 -3.776 3.050
72 HB2 LYS 10 HB2 LYS 10 7.740 -2.457 4.756
73 HB3 LYS 10 HB1 LYS 10 8.470 -1.272 3.678
74 HG2 LYS 10 HG2 LYS 10 6.323 -0.250 3.234
75 HG3 LYS 10 HG1 LYS 10 5.475 -1.555 4.067
76 HD2 LYS 10 HD2 LYS 10 6.707 -0.903 6.166
77 HD3 LYS 10 HD1 LYS 10 7.324 0.502 5.295
78 HE2 LYS 10 HE2 LYS 10 4.374 -0.124 5.567
79 HE3 LYS 10 HE1 LYS 10 5.244 0.953 6.659
80 HZ1 LYS 10 HZ1 LYS 10 5.991 2.068 4.462
81 HZ2 LYS 10 HZ2 LYS 10 4.448 2.405 5.092
82 HZ3 LYS 10 HZ3 LYS 10 4.624 1.306 3.807
83 H ILE 11 HN ILE 11 4.893 -3.096 2.746
84 HA ILE 11 HA ILE 11 4.328 -1.153 0.640
85 HB ILE 11 HB ILE 11 3.118 -2.618 -0.770
86 HG12 ILE 11 HG12 ILE 11 3.263 -5.193 0.087
87 HG13 ILE 11 HG11 ILE 11 3.133 -4.364 1.635
88 HG21 ILE 11 HG21 ILE 11 5.608 -2.760 -0.954
89 HG22 ILE 11 HG22 ILE 11 4.783 -4.225 -1.481
90 HG23 ILE 11 HG23 ILE 11 5.567 -4.175 0.096
91 HD11 ILE 11 HD11 ILE 11 0.886 -4.620 1.113
92 HD12 ILE 11 HD12 ILE 11 1.170 -4.490 -0.622
93 HD13 ILE 11 HD13 ILE 11 1.191 -3.044 0.383
94 H ILE 12 HN ILE 12 2.317 -0.214 0.816
95 HA ILE 12 HA ILE 12 0.554 -1.217 2.943
96 HB ILE 12 HB ILE 12 0.531 1.673 2.816
97 HG12 ILE 12 HG12 ILE 12 2.757 1.915 3.997
98 HG13 ILE 12 HG11 ILE 12 3.142 0.278 3.467
99 HG21 ILE 12 HG21 ILE 12 -0.425 0.201 4.601
100 HG22 ILE 12 HG22 ILE 12 0.677 1.426 5.231
101 HG23 ILE 12 HG23 ILE 12 1.219 -0.244 5.061
102 HD11 ILE 12 HD11 ILE 12 3.264 2.749 1.968
103 HD12 ILE 12 HD12 ILE 12 2.178 1.604 1.181
104 HD13 ILE 12 HD13 ILE 12 3.848 1.148 1.515
105 H ARG 13 HN ARG 13 -1.299 -1.714 1.995
106 HA ARG 13 HA ARG 13 -2.657 0.280 0.371
107 HB2 ARG 13 HB2 ARG 13 -1.497 -0.802 -1.402
108 HB3 ARG 13 HB1 ARG 13 -1.801 -2.401 -0.721
109 HG2 ARG 13 HG2 ARG 13 -4.091 -2.341 -1.293
110 HG3 ARG 13 HG1 ARG 13 -4.079 -0.592 -1.515
111 HD2 ARG 13 HD2 ARG 13 -2.200 -2.081 -3.242
112 HD3 ARG 13 HD1 ARG 13 -3.904 -2.389 -3.561
113 HE ARG 13 HE ARG 13 -3.253 0.420 -3.325
114 HH11 ARG 13 HH11 ARG 13 -3.476 1.634 -5.231
115 HH12 ARG 13 HH12 ARG 13 -3.626 0.824 -6.755
116 HH21 ARG 13 HH21 ARG 13 -3.430 -2.355 -5.384
117 HH22 ARG 13 HH22 ARG 13 -3.601 -1.434 -6.842
118 H ASN 14 HN ASN 14 -4.898 -0.150 0.112
119 HA ASN 14 HA ASN 14 -5.947 -2.172 2.004
120 HB2 ASN 14 HB2 ASN 14 -7.951 -0.588 2.103
121 HB3 ASN 14 HB1 ASN 14 -6.474 -0.035 2.889
122 HD21 ASN 14 HD21 ASN 14 -4.940 0.982 0.855
123 HD22 ASN 14 HD22 ASN 14 -5.761 2.222 0.036
124 H GLU 15 HN GLU 15 -8.584 -2.125 1.341
125 HA GLU 15 HA GLU 15 -8.631 -3.692 -1.055
126 HB2 GLU 15 HB2 GLU 15 -10.129 -4.181 0.826
127 HB3 GLU 15 HB1 GLU 15 -10.908 -2.611 0.624
128 HG2 GLU 15 HG2 GLU 15 -12.177 -3.354 -1.090
129 HG3 GLU 15 HG1 GLU 15 -10.795 -4.114 -1.877
130 H ARG 16 HN ARG 16 -7.595 -1.512 -2.036
131 HA ARG 16 HA ARG 16 -7.843 0.340 -3.403
132 HB2 ARG 16 HB2 ARG 16 -8.226 -1.348 -5.019
133 HB3 ARG 16 HB1 ARG 16 -9.846 -1.674 -4.407
134 HG2 ARG 16 HG2 ARG 16 -10.762 0.176 -5.439
135 HG3 ARG 16 HG1 ARG 16 -9.262 1.101 -5.341
136 HD2 ARG 16 HD2 ARG 16 -8.359 0.097 -7.237
137 HD3 ARG 16 HD1 ARG 16 -9.361 -1.343 -7.076
138 HE ARG 16 HE ARG 16 -11.080 -0.231 -8.208
139 HH11 ARG 16 HH11 ARG 16 -11.835 1.481 -9.495
140 HH12 ARG 16 HH12 ARG 16 -10.954 2.971 -9.551
141 HH21 ARG 16 HH21 ARG 16 -8.486 1.900 -7.364
142 HH22 ARG 16 HH22 ARG 16 -9.058 3.208 -8.344
Start of MODEL 7
1 H1 GLY 1 HN GLY 1 -9.067 1.878 -3.847
2 HA2 GLY 1 HA2 GLY 1 -10.444 3.866 -3.652
3 HA3 GLY 1 HA1 GLY 1 -10.841 3.369 -2.010
4 H SER 2 HN SER 2 -8.207 2.632 -1.207
5 HA SER 2 HA SER 2 -7.225 5.122 -0.302
6 HB2 SER 2 HB2 SER 2 -6.834 2.545 0.450
7 HB3 SER 2 HB1 SER 2 -5.321 2.859 -0.396
8 HG SER 2 HG SER 2 -6.415 4.092 1.879
9 H ARG 3 HN ARG 3 -4.524 5.136 -0.600
10 HA ARG 3 HA ARG 3 -4.231 5.764 -3.458
11 HB2 ARG 3 HB2 ARG 3 -3.647 7.722 -2.407
12 HB3 ARG 3 HB1 ARG 3 -3.115 6.898 -0.944
13 HG2 ARG 3 HG2 ARG 3 -1.019 6.301 -1.919
14 HG3 ARG 3 HG1 ARG 3 -1.572 6.712 -3.544
15 HD2 ARG 3 HD2 ARG 3 -1.361 8.733 -1.304
16 HD3 ARG 3 HD1 ARG 3 -0.064 8.434 -2.459
17 HE ARG 3 HE ARG 3 -2.173 8.928 -4.079
18 HH11 ARG 3 HH11 ARG 3 -2.833 10.999 -4.740
19 HH12 ARG 3 HH12 ARG 3 -2.487 12.371 -3.742
20 HH21 ARG 3 HH21 ARG 3 -0.884 10.517 -1.289
21 HH22 ARG 3 HH22 ARG 3 -1.384 12.099 -1.788
22 H GLY 4 HN GLY 4 -3.067 3.773 -0.917
23 HA2 GLY 4 HA2 GLY 4 -1.494 2.090 -0.817
24 HA3 GLY 4 HA1 GLY 4 -1.851 1.865 -2.530
25 H PHE 5 HN PHE 5 0.691 1.382 -1.610
26 HA PHE 5 HA PHE 5 2.263 3.061 -3.280
27 HB2 PHE 5 HB2 PHE 5 1.912 4.572 -1.286
28 HB3 PHE 5 HB1 PHE 5 2.803 3.393 -0.324
29 HD1 PHE 5 HD1 PHE 5 5.135 3.553 -0.189
30 HD2 PHE 5 HD2 PHE 5 3.085 5.359 -3.504
31 HE1 PHE 5 HE1 PHE 5 7.273 4.527 -0.981
32 HE2 PHE 5 HE2 PHE 5 5.223 6.334 -4.296
33 HZ PHE 5 HZ PHE 5 7.318 5.917 -3.034
34 H ARG 6 HN ARG 6 4.587 2.494 -3.164
35 HA ARG 6 HA ARG 6 4.976 -0.261 -2.145
36 HB2 ARG 6 HB2 ARG 6 5.201 0.749 -4.788
37 HB3 ARG 6 HB1 ARG 6 6.843 0.449 -4.221
38 HG2 ARG 6 HG2 ARG 6 6.053 -1.598 -5.209
39 HG3 ARG 6 HG1 ARG 6 6.065 -1.839 -3.462
40 HD2 ARG 6 HD2 ARG 6 3.903 -2.461 -3.668
41 HD3 ARG 6 HD1 ARG 6 3.551 -0.757 -3.946
42 HE ARG 6 HE ARG 6 4.359 -2.182 -6.331
43 HH11 ARG 6 HH11 ARG 6 2.751 -2.408 -7.920
44 HH12 ARG 6 HH12 ARG 6 1.094 -2.107 -7.516
45 HH21 ARG 6 HH21 ARG 6 1.767 -1.317 -4.207
46 HH22 ARG 6 HH22 ARG 6 0.537 -1.489 -5.415
47 H PHE 7 HN PHE 7 6.575 -0.524 -0.691
48 HA PHE 7 HA PHE 7 8.760 1.448 -0.632
49 HB2 PHE 7 HB2 PHE 7 6.655 1.478 1.183
50 HB3 PHE 7 HB1 PHE 7 7.933 0.648 2.058
51 HD1 PHE 7 HD1 PHE 7 10.401 1.859 1.126
52 HD2 PHE 7 HD2 PHE 7 6.585 3.713 1.857
53 HE1 PHE 7 HE1 PHE 7 11.524 4.033 1.509
54 HE2 PHE 7 HE2 PHE 7 7.718 5.883 2.236
55 HZ PHE 7 HZ PHE 7 10.186 6.044 2.062
56 HA DPR 8 HA DPR 8 11.721 -1.764 -0.556
57 HB2 DPR 8 HB2 DPR 8 11.667 -3.072 -2.478
58 HB3 DPR 8 HB1 DPR 8 9.913 -3.316 -2.378
59 HG2 DPR 8 HG2 DPR 8 11.442 -1.003 -3.419
60 HG3 DPR 8 HG1 DPR 8 9.882 -1.658 -3.941
61 HD2 DPR 8 HD2 DPR 8 10.275 0.583 -2.253
62 HD3 DPR 8 HD1 DPR 8 8.737 -0.257 -2.551
63 HA PRO 9 HA PRO 9 10.429 -5.215 1.979
64 HB2 PRO 9 HB2 PRO 9 10.951 -4.242 4.473
65 HB3 PRO 9 HB1 PRO 9 12.225 -4.750 3.347
66 HG2 PRO 9 HG2 PRO 9 11.252 -2.011 3.994
67 HG3 PRO 9 HG1 PRO 9 12.905 -2.589 3.725
68 HD2 PRO 9 HD2 PRO 9 11.465 -1.255 1.813
69 HD3 PRO 9 HD1 PRO 9 12.729 -2.445 1.428
70 H LYS 10 HN LYS 10 8.601 -2.612 1.522
71 HA LYS 10 HA LYS 10 6.353 -3.687 2.943
72 HB2 LYS 10 HB2 LYS 10 7.593 -2.341 4.706
73 HB3 LYS 10 HB1 LYS 10 7.260 -0.913 3.736
74 HG2 LYS 10 HG2 LYS 10 4.765 -1.637 3.898
75 HG3 LYS 10 HG1 LYS 10 5.305 -2.665 5.228
76 HD2 LYS 10 HD2 LYS 10 6.290 -0.686 6.339
77 HD3 LYS 10 HD1 LYS 10 5.701 0.332 5.025
78 HE2 LYS 10 HE2 LYS 10 3.401 -0.925 5.668
79 HE3 LYS 10 HE1 LYS 10 4.196 -0.955 7.241
80 HZ1 LYS 10 HZ1 LYS 10 2.790 1.074 6.641
81 HZ2 LYS 10 HZ2 LYS 10 4.087 1.522 5.639
82 HZ3 LYS 10 HZ3 LYS 10 4.323 1.345 7.313
83 H ILE 11 HN ILE 11 4.389 -2.779 2.288
84 HA ILE 11 HA ILE 11 4.427 -0.640 0.299
85 HB ILE 11 HB ILE 11 3.413 -1.872 -1.447
86 HG12 ILE 11 HG12 ILE 11 3.180 -4.508 -0.803
87 HG13 ILE 11 HG11 ILE 11 2.793 -3.772 0.751
88 HG21 ILE 11 HG21 ILE 11 5.507 -3.714 -0.261
89 HG22 ILE 11 HG22 ILE 11 5.868 -2.238 -1.156
90 HG23 ILE 11 HG23 ILE 11 5.054 -3.578 -1.959
91 HD11 ILE 11 HD11 ILE 11 0.694 -3.790 -0.245
92 HD12 ILE 11 HD12 ILE 11 1.348 -3.558 -1.865
93 HD13 ILE 11 HD13 ILE 11 1.263 -2.199 -0.746
94 H ILE 12 HN ILE 12 2.480 0.433 0.086
95 HA ILE 12 HA ILE 12 0.520 -0.170 2.196
96 HB ILE 12 HB ILE 12 0.710 2.315 0.483
97 HG12 ILE 12 HG12 ILE 12 2.813 2.129 1.655
98 HG13 ILE 12 HG11 ILE 12 1.829 3.309 2.519
99 HG21 ILE 12 HG21 ILE 12 -0.569 3.300 2.371
100 HG22 ILE 12 HG22 ILE 12 -0.624 1.713 3.139
101 HG23 ILE 12 HG23 ILE 12 -1.442 1.976 1.599
102 HD11 ILE 12 HD11 ILE 12 1.063 1.278 3.960
103 HD12 ILE 12 HD12 ILE 12 2.668 1.950 4.245
104 HD13 ILE 12 HD13 ILE 12 2.486 0.474 3.298
105 H ARG 13 HN ARG 13 -1.515 -0.776 1.760
106 HA ARG 13 HA ARG 13 -3.037 -0.206 -0.492
107 HB2 ARG 13 HB2 ARG 13 -1.713 -1.399 -1.985
108 HB3 ARG 13 HB1 ARG 13 -1.274 -2.614 -0.784
109 HG2 ARG 13 HG2 ARG 13 -3.353 -3.714 -0.959
110 HG3 ARG 13 HG1 ARG 13 -4.129 -2.317 -1.709
111 HD2 ARG 13 HD2 ARG 13 -3.427 -4.357 -3.203
112 HD3 ARG 13 HD1 ARG 13 -3.155 -2.718 -3.786
113 HE ARG 13 HE ARG 13 -0.929 -3.860 -2.312
114 HH11 ARG 13 HH11 ARG 13 0.963 -4.174 -3.530
115 HH12 ARG 13 HH12 ARG 13 0.900 -4.080 -5.259
116 HH21 ARG 13 HH21 ARG 13 -2.500 -3.407 -5.362
117 HH22 ARG 13 HH22 ARG 13 -1.061 -3.646 -6.296
118 H ASN 14 HN ASN 14 -5.105 -1.000 -0.277
119 HA ASN 14 HA ASN 14 -5.712 -3.279 1.377
120 HB2 ASN 14 HB2 ASN 14 -7.220 -1.596 2.822
121 HB3 ASN 14 HB1 ASN 14 -5.589 -2.057 3.304
122 HD21 ASN 14 HD21 ASN 14 -6.181 0.067 0.530
123 HD22 ASN 14 HD22 ASN 14 -5.547 1.468 1.251
124 H GLU 15 HN GLU 15 -7.524 -4.165 0.614
125 HA GLU 15 HA GLU 15 -9.322 -4.439 -0.822
126 HB2 GLU 15 HB2 GLU 15 -10.089 -1.992 0.784
127 HB3 GLU 15 HB1 GLU 15 -11.214 -2.891 -0.235
128 HG2 GLU 15 HG2 GLU 15 -11.447 -3.732 2.012
129 HG3 GLU 15 HG1 GLU 15 -10.609 -4.964 1.070
130 H ARG 16 HN ARG 16 -9.901 -1.006 -0.774
131 HA ARG 16 HA ARG 16 -8.506 -0.268 -3.114
132 HB2 ARG 16 HB2 ARG 16 -9.908 -1.751 -4.350
133 HB3 ARG 16 HB1 ARG 16 -11.353 -1.196 -3.505
134 HG2 ARG 16 HG2 ARG 16 -11.337 0.896 -4.602
135 HG3 ARG 16 HG1 ARG 16 -9.655 0.717 -5.104
136 HD2 ARG 16 HD2 ARG 16 -11.532 -1.375 -6.058
137 HD3 ARG 16 HD1 ARG 16 -11.743 0.229 -6.753
138 HE ARG 16 HE ARG 16 -9.491 -1.556 -7.169
139 HH11 ARG 16 HH11 ARG 16 -7.965 -0.834 -8.688
140 HH12 ARG 16 HH12 ARG 16 -7.999 0.812 -9.228
141 HH21 ARG 16 HH21 ARG 16 -10.722 1.676 -7.261
142 HH22 ARG 16 HH22 ARG 16 -9.561 2.233 -8.420
Start of MODEL 8
1 H1 GLY 1 HN GLY 1 -9.822 1.191 0.506
2 HA2 GLY 1 HA2 GLY 1 -10.920 3.895 0.380
3 HA3 GLY 1 HA1 GLY 1 -9.316 3.444 0.950
4 H SER 2 HN SER 2 -8.721 1.796 -1.383
5 HA SER 2 HA SER 2 -7.986 1.960 -3.572
6 HB2 SER 2 HB2 SER 2 -9.019 3.404 -5.027
7 HB3 SER 2 HB1 SER 2 -10.176 3.484 -3.701
8 HG SER 2 HG SER 2 -9.681 5.566 -4.134
9 H ARG 3 HN ARG 3 -6.413 2.631 -1.325
10 HA ARG 3 HA ARG 3 -4.544 4.533 -2.579
11 HB2 ARG 3 HB2 ARG 3 -5.049 4.517 0.395
12 HB3 ARG 3 HB1 ARG 3 -4.160 5.707 -0.555
13 HG2 ARG 3 HG2 ARG 3 -6.430 6.026 -1.813
14 HG3 ARG 3 HG1 ARG 3 -7.131 5.267 -0.383
15 HD2 ARG 3 HD2 ARG 3 -5.878 6.975 1.007
16 HD3 ARG 3 HD1 ARG 3 -5.476 7.798 -0.496
17 HE ARG 3 HE ARG 3 -8.281 7.354 -0.343
18 HH11 ARG 3 HH11 ARG 3 -9.603 9.135 0.144
19 HH12 ARG 3 HH12 ARG 3 -8.914 10.545 0.876
20 HH21 ARG 3 HH21 ARG 3 -5.700 9.248 0.973
21 HH22 ARG 3 HH22 ARG 3 -6.704 10.609 1.347
22 H GLY 4 HN GLY 4 -2.391 4.050 -2.309
23 HA2 GLY 4 HA2 GLY 4 -1.505 2.024 -0.446
24 HA3 GLY 4 HA1 GLY 4 -1.496 1.492 -2.127
25 H PHE 5 HN PHE 5 0.889 1.381 -1.215
26 HA PHE 5 HA PHE 5 2.391 3.314 -2.647
27 HB2 PHE 5 HB2 PHE 5 1.676 4.544 -0.480
28 HB3 PHE 5 HB1 PHE 5 2.843 3.492 0.321
29 HD1 PHE 5 HD1 PHE 5 5.236 3.398 -0.682
30 HD2 PHE 5 HD2 PHE 5 2.397 6.498 -1.566
31 HE1 PHE 5 HE1 PHE 5 7.081 4.871 -1.440
32 HE2 PHE 5 HE2 PHE 5 4.243 7.972 -2.324
33 HZ PHE 5 HZ PHE 5 6.585 7.158 -2.261
34 H ARG 6 HN ARG 6 3.988 2.089 -3.407
35 HA ARG 6 HA ARG 6 4.843 -0.288 -1.964
36 HB2 ARG 6 HB2 ARG 6 4.551 0.191 -4.621
37 HB3 ARG 6 HB1 ARG 6 6.255 0.601 -4.439
38 HG2 ARG 6 HG2 ARG 6 6.753 -1.591 -3.515
39 HG3 ARG 6 HG1 ARG 6 5.038 -2.012 -3.485
40 HD2 ARG 6 HD2 ARG 6 5.776 -1.129 -6.128
41 HD3 ARG 6 HD1 ARG 6 6.869 -2.404 -5.603
42 HE ARG 6 HE ARG 6 5.060 -3.901 -5.569
43 HH11 ARG 6 HH11 ARG 6 2.958 -4.472 -6.199
44 HH12 ARG 6 HH12 ARG 6 1.830 -3.240 -6.659
45 HH21 ARG 6 HH21 ARG 6 4.056 -0.634 -6.148
46 HH22 ARG 6 HH22 ARG 6 2.452 -1.071 -6.630
47 H PHE 7 HN PHE 7 6.518 -0.342 -0.613
48 HA PHE 7 HA PHE 7 8.690 1.621 -0.962
49 HB2 PHE 7 HB2 PHE 7 6.819 1.462 1.234
50 HB3 PHE 7 HB1 PHE 7 8.448 1.157 1.827
51 HD1 PHE 7 HD1 PHE 7 10.255 2.802 0.395
52 HD2 PHE 7 HD2 PHE 7 6.174 3.689 1.446
53 HE1 PHE 7 HE1 PHE 7 10.741 5.225 0.258
54 HE2 PHE 7 HE2 PHE 7 6.671 6.111 1.302
55 HZ PHE 7 HZ PHE 7 8.950 6.880 0.708
56 HA DPR 8 HA DPR 8 11.741 -1.518 -0.912
57 HB2 DPR 8 HB2 DPR 8 11.600 -2.892 -2.781
58 HB3 DPR 8 HB1 DPR 8 9.857 -3.160 -2.574
59 HG2 DPR 8 HG2 DPR 8 11.288 -0.862 -3.778
60 HG3 DPR 8 HG1 DPR 8 9.711 -1.556 -4.187
61 HD2 DPR 8 HD2 DPR 8 10.164 0.746 -2.600
62 HD3 DPR 8 HD1 DPR 8 8.626 -0.122 -2.783
63 HA PRO 9 HA PRO 9 10.663 -4.899 1.811
64 HB2 PRO 9 HB2 PRO 9 11.301 -3.827 4.236
65 HB3 PRO 9 HB1 PRO 9 12.521 -4.350 3.059
66 HG2 PRO 9 HG2 PRO 9 11.528 -1.610 3.664
67 HG3 PRO 9 HG1 PRO 9 13.175 -2.165 3.322
68 HD2 PRO 9 HD2 PRO 9 11.604 -0.928 1.450
69 HD3 PRO 9 HD1 PRO 9 12.869 -2.106 1.036
70 H LYS 10 HN LYS 10 8.744 -2.353 1.374
71 HA LYS 10 HA LYS 10 6.671 -3.413 3.096
72 HB2 LYS 10 HB2 LYS 10 7.959 -1.718 4.492
73 HB3 LYS 10 HB1 LYS 10 7.411 -0.494 3.358
74 HG2 LYS 10 HG2 LYS 10 5.017 -1.357 3.890
75 HG3 LYS 10 HG1 LYS 10 5.764 -2.126 5.293
76 HD2 LYS 10 HD2 LYS 10 6.762 0.147 5.848
77 HD3 LYS 10 HD1 LYS 10 5.695 0.818 4.615
78 HE2 LYS 10 HE2 LYS 10 3.848 -0.554 5.929
79 HE3 LYS 10 HE1 LYS 10 5.000 -0.410 7.256
80 HZ1 LYS 10 HZ1 LYS 10 4.452 2.005 5.722
81 HZ2 LYS 10 HZ2 LYS 10 4.720 1.812 7.388
82 HZ3 LYS 10 HZ3 LYS 10 3.201 1.444 6.720
83 H ILE 11 HN ILE 11 4.594 -2.749 2.502
84 HA ILE 11 HA ILE 11 4.286 -0.949 0.226
85 HB ILE 11 HB ILE 11 3.212 -2.504 -1.208
86 HG12 ILE 11 HG12 ILE 11 3.306 -5.022 -0.186
87 HG13 ILE 11 HG11 ILE 11 3.009 -4.104 1.287
88 HG21 ILE 11 HG21 ILE 11 4.955 -4.118 -1.660
89 HG22 ILE 11 HG22 ILE 11 5.579 -3.972 -0.020
90 HG23 ILE 11 HG23 ILE 11 5.710 -2.614 -1.137
91 HD11 ILE 11 HD11 ILE 11 1.287 -4.404 -1.145
92 HD12 ILE 11 HD12 ILE 11 1.186 -2.901 -0.231
93 HD13 ILE 11 HD13 ILE 11 0.830 -4.437 0.557
94 H ILE 12 HN ILE 12 2.345 0.079 0.185
95 HA ILE 12 HA ILE 12 0.458 -0.595 2.363
96 HB ILE 12 HB ILE 12 0.746 2.054 0.934
97 HG12 ILE 12 HG12 ILE 12 2.832 1.640 2.090
98 HG13 ILE 12 HG11 ILE 12 1.897 2.782 3.052
99 HG21 ILE 12 HG21 ILE 12 -0.298 2.054 3.646
100 HG22 ILE 12 HG22 ILE 12 -1.258 1.019 2.590
101 HG23 ILE 12 HG23 ILE 12 -1.011 2.715 2.175
102 HD11 ILE 12 HD11 ILE 12 2.624 1.245 4.664
103 HD12 ILE 12 HD12 ILE 12 2.435 -0.130 3.580
104 HD13 ILE 12 HD13 ILE 12 1.014 0.643 4.278
105 H ARG 13 HN ARG 13 -1.642 -0.997 1.897
106 HA ARG 13 HA ARG 13 -3.080 -0.135 -0.333
107 HB2 ARG 13 HB2 ARG 13 -1.824 -1.351 -1.870
108 HB3 ARG 13 HB1 ARG 13 -1.541 -2.676 -0.742
109 HG2 ARG 13 HG2 ARG 13 -3.709 -3.553 -1.035
110 HG3 ARG 13 HG1 ARG 13 -4.326 -2.041 -1.703
111 HD2 ARG 13 HD2 ARG 13 -2.894 -2.355 -3.699
112 HD3 ARG 13 HD1 ARG 13 -2.322 -3.883 -3.036
113 HE ARG 13 HE ARG 13 -4.292 -4.848 -3.768
114 HH11 ARG 13 HH11 ARG 13 -6.388 -4.817 -4.644
115 HH12 ARG 13 HH12 ARG 13 -7.232 -3.313 -4.804
116 HH21 ARG 13 HH21 ARG 13 -4.650 -1.418 -3.476
117 HH22 ARG 13 HH22 ARG 13 -6.248 -1.388 -4.143
118 H ASN 14 HN ASN 14 -5.207 -0.756 -0.216
119 HA ASN 14 HA ASN 14 -5.902 -2.784 1.822
120 HB2 ASN 14 HB2 ASN 14 -7.442 -0.231 1.332
121 HB3 ASN 14 HB1 ASN 14 -7.681 -1.400 2.631
122 HD21 ASN 14 HD21 ASN 14 -7.200 1.290 3.311
123 HD22 ASN 14 HD22 ASN 14 -5.650 1.429 3.989
124 H GLU 15 HN GLU 15 -8.760 -1.724 1.046
125 HA GLU 15 HA GLU 15 -9.157 -2.609 -1.644
126 HB2 GLU 15 HB2 GLU 15 -8.711 -4.747 -0.198
127 HB3 GLU 15 HB1 GLU 15 -10.361 -4.481 0.365
128 HG2 GLU 15 HG2 GLU 15 -11.149 -4.455 -1.981
129 HG3 GLU 15 HG1 GLU 15 -9.501 -4.756 -2.530
130 H ARG 16 HN ARG 16 -9.913 -0.310 -0.331
131 HA ARG 16 HA ARG 16 -12.709 -0.240 -0.836
132 HB2 ARG 16 HB2 ARG 16 -12.605 -1.394 1.435
133 HB3 ARG 16 HB1 ARG 16 -11.994 0.132 2.074
134 HG2 ARG 16 HG2 ARG 16 -14.187 0.658 2.350
135 HG3 ARG 16 HG1 ARG 16 -14.160 0.975 0.614
136 HD2 ARG 16 HD2 ARG 16 -14.893 -1.658 1.926
137 HD3 ARG 16 HD1 ARG 16 -16.020 -0.527 1.180
138 HE ARG 16 HE ARG 16 -14.340 -1.030 -0.858
139 HH11 ARG 16 HH11 ARG 16 -14.468 -2.806 -2.267
140 HH12 ARG 16 HH12 ARG 16 -15.189 -4.285 -1.725
141 HH21 ARG 16 HH21 ARG 16 -15.901 -3.084 1.448
142 HH22 ARG 16 HH22 ARG 16 -16.001 -4.442 0.378
Start of MODEL 9
1 H1 GLY 1 HN GLY 1 -8.438 -0.422 -3.589
2 HA2 GLY 1 HA2 GLY 1 -8.177 0.661 -5.738
3 HA3 GLY 1 HA1 GLY 1 -9.906 0.987 -5.734
4 H SER 2 HN SER 2 -8.403 1.418 -2.709
5 HA SER 2 HA SER 2 -8.933 4.245 -2.734
6 HB2 SER 2 HB2 SER 2 -7.477 2.606 -0.651
7 HB3 SER 2 HB1 SER 2 -8.179 4.205 -0.430
8 HG SER 2 HG SER 2 -10.169 2.970 -1.284
9 H ARG 3 HN ARG 3 -6.290 4.047 -0.880
10 HA ARG 3 HA ARG 3 -4.445 4.875 -3.046
11 HB2 ARG 3 HB2 ARG 3 -4.301 5.992 -0.253
12 HB3 ARG 3 HB1 ARG 3 -3.625 6.647 -1.745
13 HG2 ARG 3 HG2 ARG 3 -6.287 6.572 -2.369
14 HG3 ARG 3 HG1 ARG 3 -6.351 6.916 -0.639
15 HD2 ARG 3 HD2 ARG 3 -4.725 8.778 -0.995
16 HD3 ARG 3 HD1 ARG 3 -4.804 8.473 -2.728
17 HE ARG 3 HE ARG 3 -6.784 9.829 -1.133
18 HH11 ARG 3 HH11 ARG 3 -8.617 10.574 -2.251
19 HH12 ARG 3 HH12 ARG 3 -8.961 9.972 -3.839
20 HH21 ARG 3 HH21 ARG 3 -6.193 7.883 -3.933
21 HH22 ARG 3 HH22 ARG 3 -7.587 8.448 -4.790
22 H GLY 4 HN GLY 4 -2.397 4.075 -2.984
23 HA2 GLY 4 HA2 GLY 4 -1.514 2.584 -0.609
24 HA3 GLY 4 HA1 GLY 4 -1.609 1.721 -2.144
25 H PHE 5 HN PHE 5 0.751 1.471 -1.524
26 HA PHE 5 HA PHE 5 2.343 3.087 -3.229
27 HB2 PHE 5 HB2 PHE 5 1.996 4.610 -1.204
28 HB3 PHE 5 HB1 PHE 5 2.973 3.455 -0.300
29 HD1 PHE 5 HD1 PHE 5 5.287 3.766 -0.247
30 HD2 PHE 5 HD2 PHE 5 3.031 5.348 -3.543
31 HE1 PHE 5 HE1 PHE 5 7.346 4.800 -1.160
32 HE2 PHE 5 HE2 PHE 5 5.091 6.382 -4.456
33 HZ PHE 5 HZ PHE 5 7.249 6.107 -3.265
34 H ARG 6 HN ARG 6 4.696 2.490 -3.017
35 HA ARG 6 HA ARG 6 5.019 -0.208 -1.850
36 HB2 ARG 6 HB2 ARG 6 4.902 0.327 -4.568
37 HB3 ARG 6 HB1 ARG 6 6.633 0.366 -4.247
38 HG2 ARG 6 HG2 ARG 6 6.619 -1.875 -3.377
39 HG3 ARG 6 HG1 ARG 6 4.852 -1.918 -3.341
40 HD2 ARG 6 HD2 ARG 6 6.523 -1.640 -5.851
41 HD3 ARG 6 HD1 ARG 6 5.790 -3.140 -5.292
42 HE ARG 6 HE ARG 6 4.451 -0.993 -6.645
43 HH11 ARG 6 HH11 ARG 6 2.210 -1.221 -6.936
44 HH12 ARG 6 HH12 ARG 6 1.333 -2.383 -5.998
45 HH21 ARG 6 HH21 ARG 6 4.128 -3.489 -4.270
46 HH22 ARG 6 HH22 ARG 6 2.419 -3.667 -4.488
47 H PHE 7 HN PHE 7 6.601 -0.277 -0.408
48 HA PHE 7 HA PHE 7 8.899 1.553 -0.731
49 HB2 PHE 7 HB2 PHE 7 6.998 1.392 1.442
50 HB3 PHE 7 HB1 PHE 7 8.612 1.015 2.036
51 HD1 PHE 7 HD1 PHE 7 10.467 2.655 0.623
52 HD2 PHE 7 HD2 PHE 7 6.435 3.625 1.785
53 HE1 PHE 7 HE1 PHE 7 11.028 5.067 0.581
54 HE2 PHE 7 HE2 PHE 7 7.006 6.034 1.733
55 HZ PHE 7 HZ PHE 7 9.299 6.755 1.132
56 HA DPR 8 HA DPR 8 11.839 -1.704 -0.612
57 HB2 DPR 8 HB2 DPR 8 11.808 -2.944 -2.577
58 HB3 DPR 8 HB1 DPR 8 10.047 -3.154 -2.532
59 HG2 DPR 8 HG2 DPR 8 11.653 -0.835 -3.443
60 HG3 DPR 8 HG1 DPR 8 10.108 -1.451 -4.048
61 HD2 DPR 8 HD2 DPR 8 10.442 0.733 -2.295
62 HD3 DPR 8 HD1 DPR 8 8.916 -0.109 -2.639
63 HA PRO 9 HA PRO 9 10.337 -5.218 1.733
64 HB2 PRO 9 HB2 PRO 9 10.964 -4.450 4.260
65 HB3 PRO 9 HB1 PRO 9 12.195 -4.927 3.073
66 HG2 PRO 9 HG2 PRO 9 11.347 -2.201 3.926
67 HG3 PRO 9 HG1 PRO 9 12.974 -2.829 3.606
68 HD2 PRO 9 HD2 PRO 9 11.573 -1.313 1.799
69 HD3 PRO 9 HD1 PRO 9 12.796 -2.516 1.329
70 H LYS 10 HN LYS 10 8.629 -2.528 1.408
71 HA LYS 10 HA LYS 10 6.485 -3.495 3.130
72 HB2 LYS 10 HB2 LYS 10 7.870 -1.751 4.403
73 HB3 LYS 10 HB1 LYS 10 7.279 -0.581 3.232
74 HG2 LYS 10 HG2 LYS 10 4.905 -1.401 3.899
75 HG3 LYS 10 HG1 LYS 10 5.702 -2.119 5.302
76 HD2 LYS 10 HD2 LYS 10 6.679 0.112 5.832
77 HD3 LYS 10 HD1 LYS 10 5.754 0.800 4.496
78 HE2 LYS 10 HE2 LYS 10 3.701 -0.308 5.668
79 HE3 LYS 10 HE1 LYS 10 4.749 -0.360 7.085
80 HZ1 LYS 10 HZ1 LYS 10 3.411 1.673 6.981
81 HZ2 LYS 10 HZ2 LYS 10 4.145 2.080 5.504
82 HZ3 LYS 10 HZ3 LYS 10 5.072 2.006 6.926
83 H ILE 11 HN ILE 11 4.418 -2.705 2.552
84 HA ILE 11 HA ILE 11 4.173 -1.067 0.150
85 HB ILE 11 HB ILE 11 2.960 -2.653 -1.137
86 HG12 ILE 11 HG12 ILE 11 2.912 -5.083 0.077
87 HG13 ILE 11 HG11 ILE 11 2.732 -4.038 1.482
88 HG21 ILE 11 HG21 ILE 11 5.448 -2.924 -1.112
89 HG22 ILE 11 HG22 ILE 11 4.582 -4.408 -1.502
90 HG23 ILE 11 HG23 ILE 11 5.257 -4.182 0.110
91 HD11 ILE 11 HD11 ILE 11 0.895 -4.429 -0.840
92 HD12 ILE 11 HD12 ILE 11 0.945 -2.832 -0.099
93 HD13 ILE 11 HD13 ILE 11 0.513 -4.239 0.869
94 H ILE 12 HN ILE 12 2.271 0.044 0.032
95 HA ILE 12 HA ILE 12 0.427 -0.300 2.320
96 HB ILE 12 HB ILE 12 0.815 2.171 0.621
97 HG12 ILE 12 HG12 ILE 12 2.910 1.748 1.759
98 HG13 ILE 12 HG11 ILE 12 2.074 3.038 2.621
99 HG21 ILE 12 HG21 ILE 12 -0.506 1.710 3.310
100 HG22 ILE 12 HG22 ILE 12 -1.343 2.008 1.786
101 HG23 ILE 12 HG23 ILE 12 -0.343 3.270 2.504
102 HD11 ILE 12 HD11 ILE 12 2.454 0.166 3.433
103 HD12 ILE 12 HD12 ILE 12 1.108 1.096 4.086
104 HD13 ILE 12 HD13 ILE 12 2.765 1.629 4.363
105 H ARG 13 HN ARG 13 -1.639 -0.812 1.939
106 HA ARG 13 HA ARG 13 -3.063 -0.052 -0.406
107 HB2 ARG 13 HB2 ARG 13 -3.076 -1.950 -1.695
108 HB3 ARG 13 HB1 ARG 13 -1.455 -2.091 -1.017
109 HG2 ARG 13 HG2 ARG 13 -2.556 -3.437 0.887
110 HG3 ARG 13 HG1 ARG 13 -3.966 -3.543 -0.170
111 HD2 ARG 13 HD2 ARG 13 -1.938 -4.214 -1.888
112 HD3 ARG 13 HD1 ARG 13 -1.361 -4.901 -0.373
113 HE ARG 13 HE ARG 13 -3.968 -5.712 -0.497
114 HH11 ARG 13 HH11 ARG 13 -4.620 -7.647 -1.490
115 HH12 ARG 13 HH12 ARG 13 -3.648 -8.341 -2.745
116 HH21 ARG 13 HH21 ARG 13 -1.245 -5.844 -2.629
117 HH22 ARG 13 HH22 ARG 13 -1.738 -7.320 -3.390
118 H ASN 14 HN ASN 14 -5.207 -1.373 -0.515
119 HA ASN 14 HA ASN 14 -6.070 -2.277 2.136
120 HB2 ASN 14 HB2 ASN 14 -7.268 0.046 0.626
121 HB3 ASN 14 HB1 ASN 14 -8.121 -0.805 1.913
122 HD21 ASN 14 HD21 ASN 14 -5.384 1.341 1.229
123 HD22 ASN 14 HD22 ASN 14 -5.070 1.737 2.850
124 H GLU 15 HN GLU 15 -6.029 -2.578 -1.160
125 HA GLU 15 HA GLU 15 -7.108 -3.953 -2.655
126 HB2 GLU 15 HB2 GLU 15 -6.639 -5.558 -0.698
127 HB3 GLU 15 HB1 GLU 15 -8.343 -5.353 -0.290
128 HG2 GLU 15 HG2 GLU 15 -8.483 -7.178 -1.709
129 HG3 GLU 15 HG1 GLU 15 -8.680 -5.865 -2.869
130 H ARG 16 HN ARG 16 -8.365 -1.802 -2.873
131 HA ARG 16 HA ARG 16 -11.152 -2.470 -3.088
132 HB2 ARG 16 HB2 ARG 16 -10.755 -1.705 -0.642
133 HB3 ARG 16 HB1 ARG 16 -10.580 -0.093 -1.338
134 HG2 ARG 16 HG2 ARG 16 -12.848 -0.030 -1.074
135 HG3 ARG 16 HG1 ARG 16 -12.838 -0.912 -2.601
136 HD2 ARG 16 HD2 ARG 16 -12.936 -2.137 0.169
137 HD3 ARG 16 HD1 ARG 16 -14.265 -2.070 -0.984
138 HE ARG 16 HE ARG 16 -11.974 -3.864 -1.076
139 HH11 ARG 16 HH11 ARG 16 -12.095 -5.472 -2.674
140 HH12 ARG 16 HH12 ARG 16 -13.295 -5.361 -3.919
141 HH21 ARG 16 HH21 ARG 16 -14.635 -2.392 -2.727
142 HH22 ARG 16 HH22 ARG 16 -14.733 -3.617 -3.949
Start of MODEL 10
1 H1 GLY 1 HN GLY 1 -4.611 8.221 2.860
2 HA2 GLY 1 HA2 GLY 1 -6.456 10.301 1.926
3 HA3 GLY 1 HA1 GLY 1 -4.708 10.289 1.714
4 H SER 2 HN SER 2 -4.739 7.470 0.800
5 HA SER 2 HA SER 2 -6.138 7.702 -1.778
6 HB2 SER 2 HB2 SER 2 -3.215 6.962 -1.531
7 HB3 SER 2 HB1 SER 2 -4.149 7.087 -3.019
8 HG SER 2 HG SER 2 -3.870 9.166 -2.971
9 H ARG 3 HN ARG 3 -4.133 5.340 -2.383
10 HA ARG 3 HA ARG 3 -5.383 3.254 -0.747
11 HB2 ARG 3 HB2 ARG 3 -5.417 3.075 -3.762
12 HB3 ARG 3 HB1 ARG 3 -6.209 2.007 -2.603
13 HG2 ARG 3 HG2 ARG 3 -7.583 3.974 -1.838
14 HG3 ARG 3 HG1 ARG 3 -6.888 4.906 -3.166
15 HD2 ARG 3 HD2 ARG 3 -8.409 2.306 -3.501
16 HD3 ARG 3 HD1 ARG 3 -9.100 3.907 -3.747
17 HE ARG 3 HE ARG 3 -6.708 3.365 -5.304
18 HH11 ARG 3 HH11 ARG 3 -7.021 3.341 -7.554
19 HH12 ARG 3 HH12 ARG 3 -8.628 3.281 -8.199
20 HH21 ARG 3 HH21 ARG 3 -10.160 3.244 -5.089
21 HH22 ARG 3 HH22 ARG 3 -10.405 3.227 -6.803
22 H GLY 4 HN GLY 4 -3.954 1.722 -0.222
23 HA2 GLY 4 HA2 GLY 4 -1.962 0.576 -0.090
24 HA3 GLY 4 HA1 GLY 4 -2.041 0.535 -1.852
25 H PHE 5 HN PHE 5 0.420 0.631 -0.812
26 HA PHE 5 HA PHE 5 1.528 3.003 -1.907
27 HB2 PHE 5 HB2 PHE 5 0.643 3.860 0.310
28 HB3 PHE 5 HB1 PHE 5 1.813 2.799 1.094
29 HD1 PHE 5 HD1 PHE 5 4.282 3.057 0.506
30 HD2 PHE 5 HD2 PHE 5 1.302 5.952 -0.586
31 HE1 PHE 5 HE1 PHE 5 6.058 4.751 0.151
32 HE2 PHE 5 HE2 PHE 5 3.079 7.646 -0.941
33 HZ PHE 5 HZ PHE 5 5.456 7.045 -0.573
34 H ARG 6 HN ARG 6 3.402 2.339 -2.729
35 HA ARG 6 HA ARG 6 4.629 -0.116 -1.817
36 HB2 ARG 6 HB2 ARG 6 4.488 1.012 -4.266
37 HB3 ARG 6 HB1 ARG 6 6.022 1.704 -3.740
38 HG2 ARG 6 HG2 ARG 6 6.954 -0.504 -3.333
39 HG3 ARG 6 HG1 ARG 6 5.396 -1.267 -3.667
40 HD2 ARG 6 HD2 ARG 6 7.041 -1.317 -5.592
41 HD3 ARG 6 HD1 ARG 6 5.472 -0.611 -5.971
42 HE ARG 6 HE ARG 6 7.481 1.309 -5.131
43 HH11 ARG 6 HH11 ARG 6 8.092 2.813 -6.718
44 HH12 ARG 6 HH12 ARG 6 7.655 2.544 -8.373
45 HH21 ARG 6 HH21 ARG 6 6.015 -0.443 -7.730
46 HH22 ARG 6 HH22 ARG 6 6.478 0.701 -8.946
47 H PHE 7 HN PHE 7 6.276 -0.321 -0.433
48 HA PHE 7 HA PHE 7 7.938 2.040 0.161
49 HB2 PHE 7 HB2 PHE 7 6.071 0.708 1.949
50 HB3 PHE 7 HB1 PHE 7 7.704 0.655 2.604
51 HD1 PHE 7 HD1 PHE 7 4.812 2.504 2.724
52 HD2 PHE 7 HD2 PHE 7 9.020 3.077 2.003
53 HE1 PHE 7 HE1 PHE 7 4.611 4.880 3.395
54 HE2 PHE 7 HE2 PHE 7 8.805 5.449 2.677
55 HZ PHE 7 HZ PHE 7 6.605 6.352 3.371
56 HA DPR 8 HA DPR 8 11.599 -0.278 -0.456
57 HB2 DPR 8 HB2 DPR 8 11.852 -0.935 -2.672
58 HB3 DPR 8 HB1 DPR 8 10.206 -1.591 -2.767
59 HG2 DPR 8 HG2 DPR 8 11.139 1.214 -2.977
60 HG3 DPR 8 HG1 DPR 8 9.790 0.405 -3.789
61 HD2 DPR 8 HD2 DPR 8 9.600 2.067 -1.511
62 HD3 DPR 8 HD1 DPR 8 8.327 0.999 -2.140
63 HA PRO 9 HA PRO 9 11.155 -4.536 0.858
64 HB2 PRO 9 HB2 PRO 9 11.534 -4.287 3.540
65 HB3 PRO 9 HB1 PRO 9 12.852 -4.112 2.364
66 HG2 PRO 9 HG2 PRO 9 11.291 -2.009 3.782
67 HG3 PRO 9 HG1 PRO 9 13.026 -2.082 3.427
68 HD2 PRO 9 HD2 PRO 9 11.260 -0.589 1.952
69 HD3 PRO 9 HD1 PRO 9 12.762 -1.273 1.284
70 H LYS 10 HN LYS 10 8.774 -2.397 1.122
71 HA LYS 10 HA LYS 10 6.900 -4.327 2.151
72 HB2 LYS 10 HB2 LYS 10 7.879 -3.139 4.203
73 HB3 LYS 10 HB1 LYS 10 7.086 -1.686 3.613
74 HG2 LYS 10 HG2 LYS 10 4.916 -3.131 3.592
75 HG3 LYS 10 HG1 LYS 10 5.822 -4.232 4.634
76 HD2 LYS 10 HD2 LYS 10 5.197 -1.315 5.146
77 HD3 LYS 10 HD1 LYS 10 4.625 -2.711 6.062
78 HE2 LYS 10 HE2 LYS 10 7.114 -3.223 6.492
79 HE3 LYS 10 HE1 LYS 10 7.421 -1.579 5.934
80 HZ1 LYS 10 HZ1 LYS 10 5.301 -1.466 7.730
81 HZ2 LYS 10 HZ2 LYS 10 6.874 -0.859 7.936
82 HZ3 LYS 10 HZ3 LYS 10 6.494 -2.434 8.448
83 H ILE 11 HN ILE 11 4.715 -3.727 1.777
84 HA ILE 11 HA ILE 11 4.201 -1.252 0.314
85 HB ILE 11 HB ILE 11 3.346 -2.271 -1.646
86 HG12 ILE 11 HG12 ILE 11 3.722 -4.970 -1.600
87 HG13 ILE 11 HG11 ILE 11 3.281 -4.684 0.081
88 HG21 ILE 11 HG21 ILE 11 5.838 -2.141 -1.483
89 HG22 ILE 11 HG22 ILE 11 5.273 -3.419 -2.558
90 HG23 ILE 11 HG23 ILE 11 5.852 -3.820 -0.944
91 HD11 ILE 11 HD11 ILE 11 1.361 -3.212 -0.997
92 HD12 ILE 11 HD12 ILE 11 1.181 -4.961 -0.882
93 HD13 ILE 11 HD13 ILE 11 1.671 -4.225 -2.406
94 H ILE 12 HN ILE 12 2.078 -0.580 0.403
95 HA ILE 12 HA ILE 12 0.377 -2.094 2.276
96 HB ILE 12 HB ILE 12 0.062 0.788 1.414
97 HG12 ILE 12 HG12 ILE 12 2.239 0.622 2.447
98 HG13 ILE 12 HG11 ILE 12 1.135 1.304 3.640
99 HG21 ILE 12 HG21 ILE 12 -1.148 0.868 3.645
100 HG22 ILE 12 HG22 ILE 12 -1.057 -0.892 3.667
101 HG23 ILE 12 HG23 ILE 12 -1.946 -0.070 2.386
102 HD11 ILE 12 HD11 ILE 12 2.279 -0.344 4.864
103 HD12 ILE 12 HD12 ILE 12 2.289 -1.475 3.514
104 HD13 ILE 12 HD13 ILE 12 0.794 -1.170 4.395
105 H ARG 13 HN ARG 13 -1.978 -2.043 1.847
106 HA ARG 13 HA ARG 13 -2.496 -2.315 -1.041
107 HB2 ARG 13 HB2 ARG 13 -2.884 -4.171 0.877
108 HB3 ARG 13 HB1 ARG 13 -4.450 -3.361 0.911
109 HG2 ARG 13 HG2 ARG 13 -4.770 -5.007 -0.729
110 HG3 ARG 13 HG1 ARG 13 -4.355 -3.586 -1.688
111 HD2 ARG 13 HD2 ARG 13 -1.874 -4.569 -1.199
112 HD3 ARG 13 HD1 ARG 13 -2.802 -6.066 -1.211
113 HE ARG 13 HE ARG 13 -3.675 -4.850 -3.457
114 HH11 ARG 13 HH11 ARG 13 -2.650 -4.969 -5.481
115 HH12 ARG 13 HH12 ARG 13 -0.943 -5.245 -5.566
116 HH21 ARG 13 HH21 ARG 13 -0.527 -5.392 -2.127
117 HH22 ARG 13 HH22 ARG 13 0.259 -5.485 -3.667
118 H ASN 14 HN ASN 14 -3.512 -0.748 1.867
119 HA ASN 14 HA ASN 14 -5.452 0.852 0.311
120 HB2 ASN 14 HB2 ASN 14 -7.018 0.805 2.043
121 HB3 ASN 14 HB1 ASN 14 -6.401 -0.847 2.035
122 HD21 ASN 14 HD21 ASN 14 -6.187 2.271 3.759
123 HD22 ASN 14 HD22 ASN 14 -5.529 1.621 5.181
124 H GLU 15 HN GLU 15 -6.101 2.707 2.212
125 HA GLU 15 HA GLU 15 -3.933 3.811 3.643
126 HB2 GLU 15 HB2 GLU 15 -3.756 4.206 0.841
127 HB3 GLU 15 HB1 GLU 15 -4.214 5.752 1.555
128 HG2 GLU 15 HG2 GLU 15 -1.902 4.026 2.488
129 HG3 GLU 15 HG1 GLU 15 -1.747 5.460 1.473
130 H ARG 16 HN ARG 16 -4.371 6.343 3.889
131 HA ARG 16 HA ARG 16 -7.233 6.552 4.541
132 HB2 ARG 16 HB2 ARG 16 -5.697 6.890 6.408
133 HB3 ARG 16 HB1 ARG 16 -4.856 8.156 5.512
134 HG2 ARG 16 HG2 ARG 16 -6.575 9.677 5.770
135 HG3 ARG 16 HG1 ARG 16 -7.813 8.422 5.860
136 HD2 ARG 16 HD2 ARG 16 -7.063 7.808 8.108
137 HD3 ARG 16 HD1 ARG 16 -5.765 8.995 8.021
138 HE ARG 16 HE ARG 16 -8.220 10.305 7.559
139 HH11 ARG 16 HH11 ARG 16 -9.161 11.486 9.257
140 HH12 ARG 16 HH12 ARG 16 -8.700 11.157 10.893
141 HH21 ARG 16 HH21 ARG 16 -6.452 8.659 10.037
142 HH22 ARG 16 HH22 ARG 16 -7.166 9.557 11.335