Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
636600 | 6qkf RC | 34357 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 0.554 -0.895 -11.537
2 H2 ARG 1 HT2 ARG 1 -0.905 -1.304 -12.277
3 H3 ARG 1 HT3 ARG 1 0.227 -2.507 -11.928
4 HA ARG 1 HA ARG 1 -1.332 -0.900 -10.002
5 HB2 ARG 1 HB2 ARG 1 -1.318 -3.849 -10.658
6 HB3 ARG 1 HB1 ARG 1 -2.183 -3.142 -9.301
7 HG2 ARG 1 HG2 ARG 1 -3.552 -1.837 -10.819
8 HG3 ARG 1 HG1 ARG 1 -2.658 -2.476 -12.199
9 HD2 ARG 1 HD2 ARG 1 -3.433 -4.718 -11.693
10 HD3 ARG 1 HD1 ARG 1 -4.258 -4.129 -10.250
11 HE ARG 1 HE ARG 1 -5.316 -2.652 -12.289
12 HH11 ARG 1 HH11 ARG 1 -4.986 -6.074 -11.650
13 HH12 ARG 1 HH12 ARG 1 -6.450 -6.506 -12.471
14 HH21 ARG 1 HH21 ARG 1 -7.260 -3.217 -13.373
15 HH22 ARG 1 HH22 ARG 1 -7.745 -4.880 -13.444
16 H GLY 2 HN GLY 2 1.466 -2.934 -10.529
17 HA2 GLY 2 HA2 GLY 2 3.383 -2.962 -9.218
18 HA3 GLY 2 HA1 GLY 2 2.522 -2.062 -7.979
19 H GLY 3 HN GLY 3 0.624 -3.433 -7.018
20 HA2 GLY 3 HA2 GLY 3 0.385 -6.091 -6.823
21 HA3 GLY 3 HA1 GLY 3 1.881 -5.821 -5.936
22 H ARG 4 HN ARG 4 1.615 -3.795 -4.404
23 HA ARG 4 HA ARG 4 -0.991 -3.959 -3.057
24 HB2 ARG 4 HB2 ARG 4 0.186 -3.736 -0.881
25 HB3 ARG 4 HB1 ARG 4 0.550 -5.241 -1.708
26 HG2 ARG 4 HG2 ARG 4 2.683 -4.317 -2.458
27 HG3 ARG 4 HG1 ARG 4 2.316 -2.804 -1.629
28 HD2 ARG 4 HD2 ARG 4 3.789 -4.130 -0.257
29 HD3 ARG 4 HD1 ARG 4 2.202 -4.039 0.503
30 HE ARG 4 HE ARG 4 2.140 -6.347 -0.961
31 HH11 ARG 4 HH11 ARG 4 4.220 -5.073 1.550
32 HH12 ARG 4 HH12 ARG 4 4.599 -6.633 2.204
33 HH21 ARG 4 HH21 ARG 4 2.644 -8.411 -0.091
34 HH22 ARG 4 HH22 ARG 4 3.708 -8.526 1.272
35 H LEU 5 HN LEU 5 -1.891 -2.053 -2.560
36 HA LEU 5 HA LEU 5 -0.273 0.361 -3.049
37 HB2 LEU 5 HB2 LEU 5 -3.219 -0.073 -3.558
38 HB3 LEU 5 HB1 LEU 5 -2.377 1.450 -3.767
39 HG LEU 5 HG LEU 5 -1.822 -1.069 -5.338
40 HD11 LEU 5 HD11 LEU 5 -3.998 -0.096 -5.866
41 HD12 LEU 5 HD12 LEU 5 -2.860 0.104 -7.197
42 HD13 LEU 5 HD13 LEU 5 -3.233 1.468 -6.144
43 HD21 LEU 5 HD21 LEU 5 0.162 0.309 -5.102
44 HD22 LEU 5 HD22 LEU 5 -0.742 1.734 -5.617
45 HD23 LEU 5 HD23 LEU 5 -0.461 0.411 -6.749
46 H CYS 6 HN CYS 6 0.013 1.579 -1.310
47 HA CYS 6 HA CYS 6 -1.910 1.302 0.900
48 HB2 CYS 6 HB2 CYS 6 0.947 2.246 1.141
49 HB3 CYS 6 HB1 CYS 6 -0.139 1.771 2.437
50 H TYR 7 HN TYR 7 -3.137 3.015 1.264
51 HA TYR 7 HA TYR 7 -2.198 5.636 0.304
52 HB2 TYR 7 HB2 TYR 7 -5.038 4.623 0.555
53 HB3 TYR 7 HB1 TYR 7 -4.581 6.247 0.052
54 HD1 TYR 7 HD1 TYR 7 -3.174 6.471 -2.077
55 HD2 TYR 7 HD2 TYR 7 -5.240 2.907 -1.016
56 HE1 TYR 7 HE1 TYR 7 -3.078 5.726 -4.417
57 HE2 TYR 7 HE2 TYR 7 -5.148 2.151 -3.354
58 HH TYR 7 HH TYR 7 -3.162 3.599 -5.679
59 H CYS 8 HN CYS 8 -1.740 7.023 1.858
60 HA CYS 8 HA CYS 8 -3.029 6.681 4.477
61 HB2 CYS 8 HB2 CYS 8 -0.525 8.253 3.852
62 HB3 CYS 8 HB1 CYS 8 -1.150 7.847 5.442
63 H ARG 9 HN ARG 9 -4.494 8.153 5.072
64 HA ARG 9 HA ARG 9 -4.476 10.745 3.675
65 HB2 ARG 9 HB2 ARG 9 -6.257 9.065 2.917
66 HB3 ARG 9 HB1 ARG 9 -6.991 9.303 4.496
67 HG2 ARG 9 HG2 ARG 9 -8.097 10.704 2.896
68 HG3 ARG 9 HG1 ARG 9 -7.173 11.722 4.004
69 HD2 ARG 9 HD2 ARG 9 -6.945 12.434 1.655
70 HD3 ARG 9 HD1 ARG 9 -5.406 11.960 2.369
71 HE ARG 9 HE ARG 9 -6.907 10.012 0.771
72 HH11 ARG 9 HH11 ARG 9 -4.113 12.092 1.141
73 HH12 ARG 9 HH12 ARG 9 -3.203 11.305 -0.104
74 HH21 ARG 9 HH21 ARG 9 -5.712 8.980 -0.876
75 HH22 ARG 9 HH22 ARG 9 -4.117 9.543 -1.263
76 H GLY 10 HN GLY 10 -3.412 11.667 5.477
77 HA2 GLY 10 HA2 GLY 10 -3.636 13.111 7.285
78 HA3 GLY 10 HA1 GLY 10 -5.262 12.494 7.549
79 H TRP 11 HN TRP 11 -5.567 11.191 9.244
80 HA TRP 11 HA TRP 11 -3.159 10.074 10.523
81 HB2 TRP 11 HB2 TRP 11 -5.819 10.851 11.733
82 HB3 TRP 11 HB1 TRP 11 -4.525 10.047 12.615
83 HD1 TRP 11 HD1 TRP 11 -5.705 13.433 11.558
84 HE1 TRP 11 HE1 TRP 11 -4.003 15.225 12.280
85 HE3 TRP 11 HE3 TRP 11 -1.836 10.378 12.913
86 HZ2 TRP 11 HZ2 TRP 11 -1.376 15.327 13.293
87 HZ3 TRP 11 HZ3 TRP 11 0.238 11.404 13.750
88 HH2 TRP 11 HH2 TRP 11 0.461 13.829 13.935
89 H ILE 12 HN ILE 12 -5.012 8.988 8.376
90 HA ILE 12 HA ILE 12 -5.209 6.330 9.575
91 HB ILE 12 HB ILE 12 -7.483 7.054 9.667
92 HG12 ILE 12 HG12 ILE 12 -7.123 5.371 7.177
93 HG13 ILE 12 HG11 ILE 12 -7.126 4.762 8.830
94 HG21 ILE 12 HG21 ILE 12 -7.196 7.903 6.792
95 HG22 ILE 12 HG22 ILE 12 -7.359 8.966 8.189
96 HG23 ILE 12 HG23 ILE 12 -8.697 7.918 7.719
97 HD11 ILE 12 HD11 ILE 12 -9.251 4.355 7.743
98 HD12 ILE 12 HD12 ILE 12 -9.438 6.079 7.423
99 HD13 ILE 12 HD13 ILE 12 -9.446 5.485 9.082
100 H CYS 13 HN CYS 13 -4.275 4.825 8.325
101 HA CYS 13 HA CYS 13 -4.033 5.370 5.458
102 HB2 CYS 13 HB2 CYS 13 -1.907 6.015 6.556
103 HB3 CYS 13 HB1 CYS 13 -1.763 4.378 7.189
104 H PHE 14 HN PHE 14 -4.590 3.735 4.237
105 HA PHE 14 HA PHE 14 -4.708 1.045 5.434
106 HB2 PHE 14 HB2 PHE 14 -6.757 0.627 4.145
107 HB3 PHE 14 HB1 PHE 14 -6.973 1.991 5.236
108 HD1 PHE 14 HD1 PHE 14 -6.804 0.907 1.778
109 HD2 PHE 14 HD2 PHE 14 -7.097 4.272 4.363
110 HE1 PHE 14 HE1 PHE 14 -7.509 2.293 -0.119
111 HE2 PHE 14 HE2 PHE 14 -7.808 5.670 2.473
112 HZ PHE 14 HZ PHE 14 -8.017 4.683 0.224
113 H CYS 15 HN CYS 15 -4.391 -0.704 3.934
114 HA CYS 15 HA CYS 15 -3.266 0.071 1.354
115 HB2 CYS 15 HB2 CYS 15 -1.414 -0.078 3.046
116 HB3 CYS 15 HB1 CYS 15 -1.822 -1.777 3.261
117 H VAL 16 HN VAL 16 -3.733 -1.319 -0.254
118 HA VAL 16 HA VAL 16 -5.092 -3.819 0.518
119 HB VAL 16 HB VAL 16 -6.521 -3.566 -1.490
120 HG11 VAL 16 HG11 VAL 16 -6.649 -1.267 0.459
121 HG12 VAL 16 HG12 VAL 16 -7.352 -2.868 0.686
122 HG13 VAL 16 HG13 VAL 16 -7.968 -1.807 -0.579
123 HG21 VAL 16 HG21 VAL 16 -5.286 -0.815 -1.666
124 HG22 VAL 16 HG22 VAL 16 -6.662 -1.388 -2.611
125 HG23 VAL 16 HG23 VAL 16 -5.074 -2.127 -2.829
126 H GLY 17 HN GLY 17 -4.581 -5.648 -0.542
127 HA2 GLY 17 HA2 GLY 17 -2.531 -5.446 -2.658
128 HA3 GLY 17 HA1 GLY 17 -2.585 -6.739 -1.466
129 H ARG 18 HN ARG 18 -2.631 -6.923 -4.385
130 HA ARG 18 HA ARG 18 -5.309 -8.093 -4.755
131 HB2 ARG 18 HB2 ARG 18 -3.473 -6.930 -6.853
132 HB3 ARG 18 HB1 ARG 18 -5.032 -7.681 -7.167
133 HG2 ARG 18 HG2 ARG 18 -4.568 -5.180 -5.560
134 HG3 ARG 18 HG1 ARG 18 -5.193 -5.256 -7.205
135 HD2 ARG 18 HD2 ARG 18 -7.126 -6.536 -6.392
136 HD3 ARG 18 HD1 ARG 18 -6.499 -6.418 -4.749
137 HE ARG 18 HE ARG 18 -7.049 -3.950 -6.226
138 HH11 ARG 18 HH11 ARG 18 -7.919 -6.175 -3.664
139 HH12 ARG 18 HH12 ARG 18 -8.946 -5.037 -2.852
140 HH21 ARG 18 HH21 ARG 18 -8.411 -2.459 -5.175
141 HH22 ARG 18 HH22 ARG 18 -9.233 -2.920 -3.720
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 8.169 -2.040 -7.975
2 H2 ARG 1 HT2 ARG 1 8.440 -2.809 -9.454
3 H3 ARG 1 HT3 ARG 1 8.329 -3.720 -8.036
4 HA ARG 1 HA ARG 1 6.132 -2.113 -9.187
5 HB2 ARG 1 HB2 ARG 1 6.466 -5.120 -9.129
6 HB3 ARG 1 HB1 ARG 1 5.109 -4.238 -9.806
7 HG2 ARG 1 HG2 ARG 1 6.706 -3.215 -11.441
8 HG3 ARG 1 HG1 ARG 1 7.931 -4.332 -10.834
9 HD2 ARG 1 HD2 ARG 1 6.967 -5.312 -12.783
10 HD3 ARG 1 HD1 ARG 1 6.374 -6.209 -11.387
11 HE ARG 1 HE ARG 1 4.808 -4.187 -12.863
12 HH11 ARG 1 HH11 ARG 1 4.982 -7.118 -10.940
13 HH12 ARG 1 HH12 ARG 1 3.284 -7.446 -11.074
14 HH21 ARG 1 HH21 ARG 1 2.578 -4.615 -13.018
15 HH22 ARG 1 HH22 ARG 1 1.914 -6.018 -12.245
16 H GLY 2 HN GLY 2 4.012 -3.157 -8.238
17 HA2 GLY 2 HA2 GLY 2 4.367 -4.023 -5.475
18 HA3 GLY 2 HA1 GLY 2 3.523 -2.504 -5.732
19 H GLY 3 HN GLY 3 2.752 -5.307 -4.755
20 HA2 GLY 3 HA2 GLY 3 0.697 -6.053 -6.670
21 HA3 GLY 3 HA1 GLY 3 1.040 -6.852 -5.141
22 H ARG 4 HN ARG 4 0.969 -4.411 -3.606
23 HA ARG 4 HA ARG 4 -1.898 -3.771 -3.763
24 HB2 ARG 4 HB2 ARG 4 -1.865 -3.515 -1.292
25 HB3 ARG 4 HB1 ARG 4 -1.542 -5.159 -1.819
26 HG2 ARG 4 HG2 ARG 4 0.832 -4.844 -1.428
27 HG3 ARG 4 HG1 ARG 4 0.544 -3.168 -0.952
28 HD2 ARG 4 HD2 ARG 4 0.813 -4.680 0.980
29 HD3 ARG 4 HD1 ARG 4 -0.766 -3.896 0.945
30 HE ARG 4 HE ARG 4 -0.914 -6.395 -0.355
31 HH11 ARG 4 HH11 ARG 4 -0.553 -5.043 2.850
32 HH12 ARG 4 HH12 ARG 4 -1.343 -6.370 3.637
33 HH21 ARG 4 HH21 ARG 4 -1.955 -8.148 0.681
34 HH22 ARG 4 HH22 ARG 4 -2.143 -8.128 2.407
35 H LEU 5 HN LEU 5 -2.507 -1.667 -3.157
36 HA LEU 5 HA LEU 5 -0.310 0.286 -3.391
37 HB2 LEU 5 HB2 LEU 5 -3.215 0.647 -4.146
38 HB3 LEU 5 HB1 LEU 5 -1.922 1.804 -4.402
39 HG LEU 5 HG LEU 5 -2.158 -0.889 -5.750
40 HD11 LEU 5 HD11 LEU 5 -2.600 0.412 -7.770
41 HD12 LEU 5 HD12 LEU 5 -2.579 1.897 -6.819
42 HD13 LEU 5 HD13 LEU 5 -3.831 0.688 -6.539
43 HD21 LEU 5 HD21 LEU 5 -0.168 1.339 -6.157
44 HD22 LEU 5 HD22 LEU 5 -0.292 -0.126 -7.131
45 HD23 LEU 5 HD23 LEU 5 0.166 -0.235 -5.432
46 H CYS 6 HN CYS 6 -0.197 1.921 -1.902
47 HA CYS 6 HA CYS 6 -2.019 1.623 0.386
48 HB2 CYS 6 HB2 CYS 6 0.889 2.428 0.332
49 HB3 CYS 6 HB1 CYS 6 -0.122 2.435 1.773
50 H TYR 7 HN TYR 7 -3.018 3.352 1.199
51 HA TYR 7 HA TYR 7 -2.256 6.009 0.185
52 HB2 TYR 7 HB2 TYR 7 -5.097 5.051 0.604
53 HB3 TYR 7 HB1 TYR 7 -4.600 6.619 -0.016
54 HD1 TYR 7 HD1 TYR 7 -5.305 3.177 -0.820
55 HD2 TYR 7 HD2 TYR 7 -3.518 6.753 -2.275
56 HE1 TYR 7 HE1 TYR 7 -5.397 2.283 -3.106
57 HE2 TYR 7 HE2 TYR 7 -3.607 5.868 -4.570
58 HH TYR 7 HH TYR 7 -5.450 3.173 -5.425
59 H CYS 8 HN CYS 8 -1.990 7.478 1.770
60 HA CYS 8 HA CYS 8 -2.914 6.738 4.459
61 HB2 CYS 8 HB2 CYS 8 -0.737 8.688 3.683
62 HB3 CYS 8 HB1 CYS 8 -1.173 8.226 5.321
63 H ARG 9 HN ARG 9 -4.584 7.836 5.231
64 HA ARG 9 HA ARG 9 -5.204 10.442 4.009
65 HB2 ARG 9 HB2 ARG 9 -6.635 8.560 3.191
66 HB3 ARG 9 HB1 ARG 9 -7.198 8.328 4.839
67 HG2 ARG 9 HG2 ARG 9 -8.138 10.589 4.829
68 HG3 ARG 9 HG1 ARG 9 -7.590 10.799 3.164
69 HD2 ARG 9 HD2 ARG 9 -8.965 8.861 2.504
70 HD3 ARG 9 HD1 ARG 9 -9.559 8.745 4.158
71 HE ARG 9 HE ARG 9 -10.037 11.341 3.238
72 HH11 ARG 9 HH11 ARG 9 -11.076 8.071 2.566
73 HH12 ARG 9 HH12 ARG 9 -12.662 8.538 2.047
74 HH21 ARG 9 HH21 ARG 9 -12.119 11.974 2.541
75 HH22 ARG 9 HH22 ARG 9 -13.250 10.768 2.017
76 H GLY 10 HN GLY 10 -4.327 11.593 5.730
77 HA2 GLY 10 HA2 GLY 10 -4.596 12.832 7.650
78 HA3 GLY 10 HA1 GLY 10 -6.134 12.023 7.903
79 H TRP 11 HN TRP 11 -6.269 10.406 9.366
80 HA TRP 11 HA TRP 11 -3.851 9.946 10.956
81 HB2 TRP 11 HB2 TRP 11 -5.400 9.290 12.760
82 HB3 TRP 11 HB1 TRP 11 -5.728 10.915 12.169
83 HD1 TRP 11 HD1 TRP 11 -7.279 7.462 12.447
84 HE1 TRP 11 HE1 TRP 11 -9.750 7.584 11.726
85 HE3 TRP 11 HE3 TRP 11 -7.343 12.219 10.568
86 HZ2 TRP 11 HZ2 TRP 11 -11.481 9.448 10.523
87 HZ3 TRP 11 HZ3 TRP 11 -9.450 13.092 9.650
88 HH2 TRP 11 HH2 TRP 11 -11.476 11.734 9.629
89 H ILE 12 HN ILE 12 -5.665 8.410 8.629
90 HA ILE 12 HA ILE 12 -4.810 5.776 9.612
91 HB ILE 12 HB ILE 12 -7.181 5.836 9.955
92 HG12 ILE 12 HG12 ILE 12 -7.951 4.032 8.407
93 HG13 ILE 12 HG11 ILE 12 -6.494 4.280 7.452
94 HG21 ILE 12 HG21 ILE 12 -7.440 6.696 7.081
95 HG22 ILE 12 HG22 ILE 12 -7.764 7.681 8.507
96 HG23 ILE 12 HG23 ILE 12 -8.780 6.284 8.151
97 HD11 ILE 12 HD11 ILE 12 -6.587 3.396 10.325
98 HD12 ILE 12 HD12 ILE 12 -5.129 3.629 9.361
99 HD13 ILE 12 HD13 ILE 12 -6.281 2.365 8.928
100 H CYS 13 HN CYS 13 -3.565 4.704 8.260
101 HA CYS 13 HA CYS 13 -3.720 5.347 5.397
102 HB2 CYS 13 HB2 CYS 13 -1.601 6.136 6.451
103 HB3 CYS 13 HB1 CYS 13 -1.251 4.476 6.919
104 H PHE 14 HN PHE 14 -4.209 3.712 4.116
105 HA PHE 14 HA PHE 14 -4.067 0.984 5.197
106 HB2 PHE 14 HB2 PHE 14 -6.348 0.537 4.420
107 HB3 PHE 14 HB1 PHE 14 -6.341 1.853 5.589
108 HD1 PHE 14 HD1 PHE 14 -7.011 0.877 2.178
109 HD2 PHE 14 HD2 PHE 14 -6.705 4.178 4.835
110 HE1 PHE 14 HE1 PHE 14 -8.198 2.282 0.553
111 HE2 PHE 14 HE2 PHE 14 -7.899 5.598 3.217
112 HZ PHE 14 HZ PHE 14 -8.648 4.649 1.071
113 H CYS 15 HN CYS 15 -4.089 -0.683 3.586
114 HA CYS 15 HA CYS 15 -3.307 0.299 0.923
115 HB2 CYS 15 HB2 CYS 15 -2.266 -2.201 2.256
116 HB3 CYS 15 HB1 CYS 15 -1.733 -1.518 0.727
117 H VAL 16 HN VAL 16 -4.228 -0.608 -0.821
118 HA VAL 16 HA VAL 16 -6.118 -2.825 -0.351
119 HB VAL 16 HB VAL 16 -7.401 -1.973 -2.310
120 HG11 VAL 16 HG11 VAL 16 -8.070 -1.430 -0.012
121 HG12 VAL 16 HG12 VAL 16 -8.481 -0.140 -1.142
122 HG13 VAL 16 HG13 VAL 16 -7.082 0.030 -0.083
123 HG21 VAL 16 HG21 VAL 16 -7.001 0.325 -3.080
124 HG22 VAL 16 HG22 VAL 16 -5.629 -0.730 -3.415
125 HG23 VAL 16 HG23 VAL 16 -5.560 0.404 -2.067
126 H GLY 17 HN GLY 17 -6.268 -4.429 -1.966
127 HA2 GLY 17 HA2 GLY 17 -4.570 -4.317 -4.292
128 HA3 GLY 17 HA1 GLY 17 -4.007 -5.442 -3.064
129 H ARG 18 HN ARG 18 -5.433 -5.505 -5.867
130 HA ARG 18 HA ARG 18 -6.988 -7.879 -5.210
131 HB2 ARG 18 HB2 ARG 18 -8.534 -5.862 -5.335
132 HB3 ARG 18 HB1 ARG 18 -8.117 -5.756 -7.040
133 HG2 ARG 18 HG2 ARG 18 -10.170 -6.916 -6.906
134 HG3 ARG 18 HG1 ARG 18 -8.935 -8.120 -7.280
135 HD2 ARG 18 HD2 ARG 18 -10.422 -8.993 -5.589
136 HD3 ARG 18 HD1 ARG 18 -8.833 -8.708 -4.881
137 HE ARG 18 HE ARG 18 -10.776 -6.568 -4.584
138 HH11 ARG 18 HH11 ARG 18 -9.232 -9.359 -3.146
139 HH12 ARG 18 HH12 ARG 18 -9.664 -8.921 -1.526
140 HH21 ARG 18 HH21 ARG 18 -11.346 -5.988 -2.451
141 HH22 ARG 18 HH22 ARG 18 -10.879 -7.014 -1.132
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 1.215 -11.425 -8.354
2 H2 ARG 1 HT2 ARG 1 1.465 -12.567 -9.573
3 H3 ARG 1 HT3 ARG 1 -0.038 -12.462 -8.808
4 HA ARG 1 HA ARG 1 1.186 -10.358 -10.486
5 HB2 ARG 1 HB2 ARG 1 0.469 -12.279 -11.821
6 HB3 ARG 1 HB1 ARG 1 -1.110 -12.244 -11.052
7 HG2 ARG 1 HG2 ARG 1 -1.223 -11.268 -13.259
8 HG3 ARG 1 HG1 ARG 1 -1.530 -10.037 -12.033
9 HD2 ARG 1 HD2 ARG 1 -0.078 -9.137 -13.735
10 HD3 ARG 1 HD1 ARG 1 0.819 -9.306 -12.230
11 HE ARG 1 HE ARG 1 1.099 -11.581 -13.946
12 HH11 ARG 1 HH11 ARG 1 2.267 -8.333 -13.363
13 HH12 ARG 1 HH12 ARG 1 3.816 -8.625 -14.092
14 HH21 ARG 1 HH21 ARG 1 3.132 -11.959 -14.916
15 HH22 ARG 1 HH22 ARG 1 4.306 -10.683 -14.970
16 H GLY 2 HN GLY 2 0.554 -8.432 -9.824
17 HA2 GLY 2 HA2 GLY 2 -1.933 -7.404 -9.753
18 HA3 GLY 2 HA1 GLY 2 -1.788 -8.122 -8.155
19 H GLY 3 HN GLY 3 -0.205 -7.322 -6.709
20 HA2 GLY 3 HA2 GLY 3 1.733 -5.682 -6.581
21 HA3 GLY 3 HA1 GLY 3 0.623 -4.562 -7.358
22 H ARG 4 HN ARG 4 0.806 -3.133 -5.572
23 HA ARG 4 HA ARG 4 -1.230 -3.595 -3.630
24 HB2 ARG 4 HB2 ARG 4 0.202 -3.265 -1.630
25 HB3 ARG 4 HB1 ARG 4 0.491 -4.788 -2.454
26 HG2 ARG 4 HG2 ARG 4 2.500 -3.833 -3.495
27 HG3 ARG 4 HG1 ARG 4 2.214 -2.322 -2.624
28 HD2 ARG 4 HD2 ARG 4 2.381 -3.521 -0.499
29 HD3 ARG 4 HD1 ARG 4 2.679 -5.023 -1.370
30 HE ARG 4 HE ARG 4 4.573 -3.043 -2.101
31 HH11 ARG 4 HH11 ARG 4 3.716 -5.247 0.465
32 HH12 ARG 4 HH12 ARG 4 5.328 -5.369 1.088
33 HH21 ARG 4 HH21 ARG 4 6.727 -3.205 -1.292
34 HH22 ARG 4 HH22 ARG 4 7.041 -4.217 0.082
35 H LEU 5 HN LEU 5 -2.139 -1.757 -3.036
36 HA LEU 5 HA LEU 5 -0.707 0.753 -3.637
37 HB2 LEU 5 HB2 LEU 5 -3.682 0.221 -3.730
38 HB3 LEU 5 HB1 LEU 5 -2.911 1.762 -4.055
39 HG LEU 5 HG LEU 5 -2.527 -0.737 -5.708
40 HD11 LEU 5 HD11 LEU 5 -3.901 0.380 -7.378
41 HD12 LEU 5 HD12 LEU 5 -4.159 1.732 -6.277
42 HD13 LEU 5 HD13 LEU 5 -4.806 0.140 -5.883
43 HD21 LEU 5 HD21 LEU 5 -1.646 2.111 -6.158
44 HD22 LEU 5 HD22 LEU 5 -1.471 0.789 -7.311
45 HD23 LEU 5 HD23 LEU 5 -0.597 0.745 -5.779
46 H CYS 6 HN CYS 6 -0.236 1.893 -1.868
47 HA CYS 6 HA CYS 6 -1.827 1.378 0.555
48 HB2 CYS 6 HB2 CYS 6 1.005 2.425 0.427
49 HB3 CYS 6 HB1 CYS 6 0.131 1.906 1.861
50 H TYR 7 HN TYR 7 -3.054 2.993 1.245
51 HA TYR 7 HA TYR 7 -2.396 5.732 0.362
52 HB2 TYR 7 HB2 TYR 7 -5.096 4.586 1.129
53 HB3 TYR 7 HB1 TYR 7 -4.791 6.233 0.596
54 HD1 TYR 7 HD1 TYR 7 -5.027 2.723 -0.461
55 HD2 TYR 7 HD2 TYR 7 -4.460 6.743 -1.740
56 HE1 TYR 7 HE1 TYR 7 -5.441 2.037 -2.786
57 HE2 TYR 7 HE2 TYR 7 -4.871 6.064 -4.065
58 HH TYR 7 HH TYR 7 -6.153 3.009 -4.888
59 H CYS 8 HN CYS 8 -1.633 6.957 1.958
60 HA CYS 8 HA CYS 8 -2.785 6.622 4.645
61 HB2 CYS 8 HB2 CYS 8 -0.481 5.662 4.491
62 HB3 CYS 8 HB1 CYS 8 0.109 7.250 4.026
63 H ARG 9 HN ARG 9 -3.770 8.415 5.272
64 HA ARG 9 HA ARG 9 -2.716 11.022 4.522
65 HB2 ARG 9 HB2 ARG 9 -4.182 10.386 2.644
66 HB3 ARG 9 HB1 ARG 9 -5.507 10.124 3.771
67 HG2 ARG 9 HG2 ARG 9 -5.415 12.504 4.385
68 HG3 ARG 9 HG1 ARG 9 -4.150 12.745 3.180
69 HD2 ARG 9 HD2 ARG 9 -6.933 11.731 2.619
70 HD3 ARG 9 HD1 ARG 9 -6.377 13.381 2.342
71 HE ARG 9 HE ARG 9 -4.659 12.179 0.829
72 HH11 ARG 9 HH11 ARG 9 -8.007 11.254 1.265
73 HH12 ARG 9 HH12 ARG 9 -8.151 10.549 -0.313
74 HH21 ARG 9 HH21 ARG 9 -4.846 11.264 -1.248
75 HH22 ARG 9 HH22 ARG 9 -6.351 10.557 -1.746
76 H GLY 10 HN GLY 10 -2.572 11.922 6.482
77 HA2 GLY 10 HA2 GLY 10 -3.294 12.911 8.431
78 HA3 GLY 10 HA1 GLY 10 -4.940 12.527 7.950
79 H TRP 11 HN TRP 11 -5.988 11.018 9.075
80 HA TRP 11 HA TRP 11 -4.392 9.368 10.918
81 HB2 TRP 11 HB2 TRP 11 -7.222 10.385 11.233
82 HB3 TRP 11 HB1 TRP 11 -6.394 9.329 12.374
83 HD1 TRP 11 HD1 TRP 11 -6.934 12.921 11.590
84 HE1 TRP 11 HE1 TRP 11 -5.439 14.398 13.078
85 HE3 TRP 11 HE3 TRP 11 -3.858 9.306 13.483
86 HZ2 TRP 11 HZ2 TRP 11 -3.244 14.069 14.821
87 HZ3 TRP 11 HZ3 TRP 11 -2.079 9.972 15.049
88 HH2 TRP 11 HH2 TRP 11 -1.779 12.305 15.702
89 H ILE 12 HN ILE 12 -5.832 9.080 8.070
90 HA ILE 12 HA ILE 12 -6.668 6.321 8.660
91 HB ILE 12 HB ILE 12 -8.637 7.413 7.915
92 HG12 ILE 12 HG12 ILE 12 -7.434 5.971 5.542
93 HG13 ILE 12 HG11 ILE 12 -8.212 5.198 6.918
94 HG21 ILE 12 HG21 ILE 12 -7.660 9.422 6.982
95 HG22 ILE 12 HG22 ILE 12 -8.785 8.696 5.834
96 HG23 ILE 12 HG23 ILE 12 -7.046 8.508 5.604
97 HD11 ILE 12 HD11 ILE 12 -9.545 7.058 4.964
98 HD12 ILE 12 HD12 ILE 12 -10.321 6.250 6.327
99 HD13 ILE 12 HD13 ILE 12 -9.684 5.300 4.984
100 H CYS 13 HN CYS 13 -5.325 4.870 7.916
101 HA CYS 13 HA CYS 13 -4.005 5.269 5.352
102 HB2 CYS 13 HB2 CYS 13 -2.473 4.541 7.862
103 HB3 CYS 13 HB1 CYS 13 -1.806 4.687 6.239
104 H PHE 14 HN PHE 14 -4.263 3.521 4.187
105 HA PHE 14 HA PHE 14 -4.229 0.884 5.420
106 HB2 PHE 14 HB2 PHE 14 -6.346 0.204 4.424
107 HB3 PHE 14 HB1 PHE 14 -6.614 1.599 5.464
108 HD1 PHE 14 HD1 PHE 14 -6.715 0.313 2.078
109 HD2 PHE 14 HD2 PHE 14 -7.064 3.815 4.474
110 HE1 PHE 14 HE1 PHE 14 -7.774 1.487 0.201
111 HE2 PHE 14 HE2 PHE 14 -8.130 4.994 2.596
112 HZ PHE 14 HZ PHE 14 -8.486 3.832 0.454
113 H CYS 15 HN CYS 15 -3.817 -0.790 3.891
114 HA CYS 15 HA CYS 15 -3.163 0.143 1.196
115 HB2 CYS 15 HB2 CYS 15 -1.082 0.079 2.565
116 HB3 CYS 15 HB1 CYS 15 -1.359 -1.637 2.847
117 H VAL 16 HN VAL 16 -3.737 -1.202 -0.394
118 HA VAL 16 HA VAL 16 -4.829 -3.820 0.407
119 HB VAL 16 HB VAL 16 -6.268 -3.676 -1.625
120 HG11 VAL 16 HG11 VAL 16 -7.863 -2.054 -0.691
121 HG12 VAL 16 HG12 VAL 16 -6.599 -1.451 0.382
122 HG13 VAL 16 HG13 VAL 16 -7.180 -3.108 0.547
123 HG21 VAL 16 HG21 VAL 16 -5.301 -0.819 -1.738
124 HG22 VAL 16 HG22 VAL 16 -6.589 -1.515 -2.721
125 HG23 VAL 16 HG23 VAL 16 -4.930 -2.084 -2.910
126 H GLY 17 HN GLY 17 -4.137 -5.614 -0.636
127 HA2 GLY 17 HA2 GLY 17 -2.099 -5.186 -2.719
128 HA3 GLY 17 HA1 GLY 17 -1.819 -6.269 -1.366
129 H ARG 18 HN ARG 18 -1.823 -6.764 -4.239
130 HA ARG 18 HA ARG 18 -3.820 -8.922 -4.260
131 HB2 ARG 18 HB2 ARG 18 -2.855 -7.215 -6.560
132 HB3 ARG 18 HB1 ARG 18 -3.741 -8.719 -6.781
133 HG2 ARG 18 HG2 ARG 18 -5.648 -7.787 -5.590
134 HG3 ARG 18 HG1 ARG 18 -4.754 -6.289 -5.318
135 HD2 ARG 18 HD2 ARG 18 -5.396 -7.419 -8.036
136 HD3 ARG 18 HD1 ARG 18 -6.363 -6.193 -7.218
137 HE ARG 18 HE ARG 18 -4.030 -4.980 -7.204
138 HH11 ARG 18 HH11 ARG 18 -5.465 -6.861 -9.791
139 HH12 ARG 18 HH12 ARG 18 -4.750 -5.908 -11.051
140 HH21 ARG 18 HH21 ARG 18 -3.069 -3.737 -8.859
141 HH22 ARG 18 HH22 ARG 18 -3.371 -4.140 -10.519
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 5.806 -3.659 -4.173
2 H2 ARG 1 HT2 ARG 1 6.797 -3.451 -5.526
3 H3 ARG 1 HT3 ARG 1 7.466 -3.428 -3.973
4 HA ARG 1 HA ARG 1 7.940 -5.503 -5.048
5 HB2 ARG 1 HB2 ARG 1 7.085 -7.008 -3.316
6 HB3 ARG 1 HB1 ARG 1 7.665 -5.501 -2.627
7 HG2 ARG 1 HG2 ARG 1 5.386 -4.707 -2.382
8 HG3 ARG 1 HG1 ARG 1 4.775 -6.174 -3.146
9 HD2 ARG 1 HD2 ARG 1 6.341 -6.060 -0.568
10 HD3 ARG 1 HD1 ARG 1 4.595 -6.260 -0.695
11 HE ARG 1 HE ARG 1 5.972 -8.250 -2.189
12 HH11 ARG 1 HH11 ARG 1 5.071 -7.362 1.077
13 HH12 ARG 1 HH12 ARG 1 5.078 -8.996 1.655
14 HH21 ARG 1 HH21 ARG 1 5.988 -10.405 -1.419
15 HH22 ARG 1 HH22 ARG 1 5.603 -10.722 0.242
16 H GLY 2 HN GLY 2 4.733 -4.408 -5.554
17 HA2 GLY 2 HA2 GLY 2 4.237 -5.980 -7.746
18 HA3 GLY 2 HA1 GLY 2 3.627 -6.910 -6.388
19 H GLY 3 HN GLY 3 1.475 -6.788 -6.679
20 HA2 GLY 3 HA2 GLY 3 0.254 -4.274 -7.490
21 HA3 GLY 3 HA1 GLY 3 -0.551 -5.828 -7.348
22 H ARG 4 HN ARG 4 1.363 -4.040 -4.967
23 HA ARG 4 HA ARG 4 -1.055 -3.864 -3.299
24 HB2 ARG 4 HB2 ARG 4 1.807 -4.325 -2.434
25 HB3 ARG 4 HB1 ARG 4 0.493 -3.957 -1.325
26 HG2 ARG 4 HG2 ARG 4 -0.648 -5.995 -1.936
27 HG3 ARG 4 HG1 ARG 4 0.577 -6.345 -3.157
28 HD2 ARG 4 HD2 ARG 4 0.987 -7.670 -1.185
29 HD3 ARG 4 HD1 ARG 4 2.273 -6.482 -1.378
30 HE ARG 4 HE ARG 4 0.515 -5.264 0.300
31 HH11 ARG 4 HH11 ARG 4 2.114 -8.378 0.328
32 HH12 ARG 4 HH12 ARG 4 2.220 -8.453 2.057
33 HH21 ARG 4 HH21 ARG 4 0.649 -5.360 2.580
34 HH22 ARG 4 HH22 ARG 4 1.369 -6.746 3.340
35 H LEU 5 HN LEU 5 -1.664 -1.884 -2.804
36 HA LEU 5 HA LEU 5 0.325 0.286 -2.931
37 HB2 LEU 5 HB2 LEU 5 -2.526 0.374 -3.935
38 HB3 LEU 5 HB1 LEU 5 -1.440 1.747 -3.863
39 HG LEU 5 HG LEU 5 -1.001 -0.708 -5.569
40 HD11 LEU 5 HD11 LEU 5 -2.920 0.566 -6.342
41 HD12 LEU 5 HD12 LEU 5 -1.560 0.764 -7.446
42 HD13 LEU 5 HD13 LEU 5 -1.967 2.050 -6.312
43 HD21 LEU 5 HD21 LEU 5 0.450 1.936 -5.468
44 HD22 LEU 5 HD22 LEU 5 0.747 0.642 -6.628
45 HD23 LEU 5 HD23 LEU 5 1.080 0.385 -4.916
46 H CYS 6 HN CYS 6 0.403 1.437 -1.093
47 HA CYS 6 HA CYS 6 -1.915 1.215 0.687
48 HB2 CYS 6 HB2 CYS 6 0.259 0.154 1.461
49 HB3 CYS 6 HB1 CYS 6 0.899 1.789 1.594
50 H TYR 7 HN TYR 7 -2.853 2.991 1.482
51 HA TYR 7 HA TYR 7 -1.723 5.567 0.619
52 HB2 TYR 7 HB2 TYR 7 -4.626 4.727 0.609
53 HB3 TYR 7 HB1 TYR 7 -4.040 6.343 0.241
54 HD1 TYR 7 HD1 TYR 7 -4.709 3.062 -1.055
55 HD2 TYR 7 HD2 TYR 7 -2.556 6.660 -1.778
56 HE1 TYR 7 HE1 TYR 7 -4.471 2.437 -3.421
57 HE2 TYR 7 HE2 TYR 7 -2.315 6.045 -4.146
58 HH TYR 7 HH TYR 7 -2.328 3.985 -5.524
59 H CYS 8 HN CYS 8 -1.470 7.011 2.180
60 HA CYS 8 HA CYS 8 -2.883 6.584 4.722
61 HB2 CYS 8 HB2 CYS 8 -0.348 8.162 4.239
62 HB3 CYS 8 HB1 CYS 8 -1.083 7.818 5.798
63 H ARG 9 HN ARG 9 -4.484 7.971 5.136
64 HA ARG 9 HA ARG 9 -4.438 10.574 3.755
65 HB2 ARG 9 HB2 ARG 9 -6.246 9.020 3.042
66 HB3 ARG 9 HB1 ARG 9 -6.851 9.010 4.691
67 HG2 ARG 9 HG2 ARG 9 -7.262 11.429 4.538
68 HG3 ARG 9 HG1 ARG 9 -6.702 11.401 2.865
69 HD2 ARG 9 HD2 ARG 9 -9.110 11.332 2.895
70 HD3 ARG 9 HD1 ARG 9 -8.493 9.778 2.336
71 HE ARG 9 HE ARG 9 -9.208 10.091 5.164
72 HH11 ARG 9 HH11 ARG 9 -9.887 8.686 2.029
73 HH12 ARG 9 HH12 ARG 9 -11.007 7.519 2.654
74 HH21 ARG 9 HH21 ARG 9 -10.681 8.551 5.986
75 HH22 ARG 9 HH22 ARG 9 -11.444 7.429 4.905
76 H GLY 10 HN GLY 10 -3.311 11.613 5.421
77 HA2 GLY 10 HA2 GLY 10 -3.294 13.064 7.205
78 HA3 GLY 10 HA1 GLY 10 -5.009 12.752 7.407
79 H TRP 11 HN TRP 11 -5.667 10.962 8.667
80 HA TRP 11 HA TRP 11 -3.635 10.168 10.643
81 HB2 TRP 11 HB2 TRP 11 -5.570 9.969 12.234
82 HB3 TRP 11 HB1 TRP 11 -5.243 11.608 11.684
83 HD1 TRP 11 HD1 TRP 11 -7.043 12.738 10.051
84 HE1 TRP 11 HE1 TRP 11 -9.519 12.211 9.601
85 HE3 TRP 11 HE3 TRP 11 -7.247 8.045 12.068
86 HZ2 TRP 11 HZ2 TRP 11 -11.319 10.083 10.042
87 HZ3 TRP 11 HZ3 TRP 11 -9.385 6.830 12.012
88 HH2 TRP 11 HH2 TRP 11 -11.379 7.830 11.021
89 H ILE 12 HN ILE 12 -5.812 9.048 8.286
90 HA ILE 12 HA ILE 12 -5.754 6.339 9.439
91 HB ILE 12 HB ILE 12 -8.025 7.011 9.309
92 HG12 ILE 12 HG12 ILE 12 -7.423 5.329 6.866
93 HG13 ILE 12 HG11 ILE 12 -7.580 4.727 8.511
94 HG21 ILE 12 HG21 ILE 12 -7.794 8.932 7.853
95 HG22 ILE 12 HG22 ILE 12 -9.080 7.876 7.268
96 HG23 ILE 12 HG23 ILE 12 -7.506 7.876 6.470
97 HD11 ILE 12 HD11 ILE 12 -9.752 6.018 6.881
98 HD12 ILE 12 HD12 ILE 12 -9.917 5.447 8.540
99 HD13 ILE 12 HD13 ILE 12 -9.591 4.300 7.240
100 H CYS 13 HN CYS 13 -4.446 4.975 8.441
101 HA CYS 13 HA CYS 13 -4.020 5.322 5.553
102 HB2 CYS 13 HB2 CYS 13 -2.026 6.056 6.826
103 HB3 CYS 13 HB1 CYS 13 -1.936 4.465 7.577
104 H PHE 14 HN PHE 14 -4.375 3.587 4.350
105 HA PHE 14 HA PHE 14 -4.407 0.944 5.617
106 HB2 PHE 14 HB2 PHE 14 -6.551 0.382 4.619
107 HB3 PHE 14 HB1 PHE 14 -6.736 1.820 5.619
108 HD1 PHE 14 HD1 PHE 14 -7.045 0.414 2.332
109 HD2 PHE 14 HD2 PHE 14 -6.883 4.066 4.510
110 HE1 PHE 14 HE1 PHE 14 -8.011 1.598 0.411
111 HE2 PHE 14 HE2 PHE 14 -7.852 5.257 2.590
112 HZ PHE 14 HZ PHE 14 -8.417 4.023 0.535
113 H CYS 15 HN CYS 15 -4.107 -0.792 4.134
114 HA CYS 15 HA CYS 15 -2.902 0.092 1.607
115 HB2 CYS 15 HB2 CYS 15 -2.150 -2.425 3.074
116 HB3 CYS 15 HB1 CYS 15 -1.257 -1.606 1.799
117 H VAL 16 HN VAL 16 -3.538 -0.861 -0.271
118 HA VAL 16 HA VAL 16 -5.542 -3.004 -0.012
119 HB VAL 16 HB VAL 16 -6.461 -2.245 -2.194
120 HG11 VAL 16 HG11 VAL 16 -6.433 -0.164 -0.017
121 HG12 VAL 16 HG12 VAL 16 -7.496 -1.567 -0.101
122 HG13 VAL 16 HG13 VAL 16 -7.627 -0.290 -1.310
123 HG21 VAL 16 HG21 VAL 16 -4.504 -1.098 -3.076
124 HG22 VAL 16 HG22 VAL 16 -4.623 0.114 -1.801
125 HG23 VAL 16 HG23 VAL 16 -5.890 -0.009 -3.021
126 H GLY 17 HN GLY 17 -5.301 -4.841 -1.131
127 HA2 GLY 17 HA2 GLY 17 -3.536 -5.063 -3.398
128 HA3 GLY 17 HA1 GLY 17 -2.914 -5.838 -1.945
129 H ARG 18 HN ARG 18 -3.829 -6.986 -4.531
130 HA ARG 18 HA ARG 18 -5.584 -9.000 -3.397
131 HB2 ARG 18 HB2 ARG 18 -7.094 -8.860 -5.432
132 HB3 ARG 18 HB1 ARG 18 -7.260 -7.571 -4.252
133 HG2 ARG 18 HG2 ARG 18 -5.849 -6.129 -5.680
134 HG3 ARG 18 HG1 ARG 18 -5.800 -7.420 -6.882
135 HD2 ARG 18 HD2 ARG 18 -7.495 -5.809 -7.491
136 HD3 ARG 18 HD1 ARG 18 -8.259 -7.331 -7.033
137 HE ARG 18 HE ARG 18 -8.043 -5.422 -4.881
138 HH11 ARG 18 HH11 ARG 18 -9.998 -6.546 -7.554
139 HH12 ARG 18 HH12 ARG 18 -11.475 -5.911 -6.908
140 HH21 ARG 18 HH21 ARG 18 -9.987 -4.579 -4.024
141 HH22 ARG 18 HH22 ARG 18 -11.472 -4.789 -4.897
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 4.353 -10.388 -9.588
2 H2 ARG 1 HT2 ARG 1 3.057 -9.587 -8.856
3 H3 ARG 1 HT3 ARG 1 4.149 -10.467 -7.913
4 HA ARG 1 HA ARG 1 5.914 -8.959 -8.416
5 HB2 ARG 1 HB2 ARG 1 3.830 -7.442 -9.992
6 HB3 ARG 1 HB1 ARG 1 5.480 -6.921 -9.702
7 HG2 ARG 1 HG2 ARG 1 6.317 -8.809 -10.989
8 HG3 ARG 1 HG1 ARG 1 4.663 -9.358 -11.266
9 HD2 ARG 1 HD2 ARG 1 5.891 -6.769 -12.192
10 HD3 ARG 1 HD1 ARG 1 5.444 -8.143 -13.200
11 HE ARG 1 HE ARG 1 3.091 -7.602 -12.206
12 HH11 ARG 1 HH11 ARG 1 5.535 -5.349 -13.294
13 HH12 ARG 1 HH12 ARG 1 4.395 -4.098 -13.671
14 HH21 ARG 1 HH21 ARG 1 1.586 -5.963 -12.693
15 HH22 ARG 1 HH22 ARG 1 2.144 -4.443 -13.322
16 H GLY 2 HN GLY 2 3.363 -9.336 -6.668
17 HA2 GLY 2 HA2 GLY 2 3.174 -8.343 -4.509
18 HA3 GLY 2 HA1 GLY 2 3.776 -6.835 -5.183
19 H GLY 3 HN GLY 3 2.363 -5.664 -6.656
20 HA2 GLY 3 HA2 GLY 3 0.345 -4.776 -7.279
21 HA3 GLY 3 HA1 GLY 3 -0.358 -6.360 -6.996
22 H ARG 4 HN ARG 4 1.217 -4.059 -4.786
23 HA ARG 4 HA ARG 4 -1.350 -3.758 -3.400
24 HB2 ARG 4 HB2 ARG 4 -0.250 -3.900 -1.221
25 HB3 ARG 4 HB1 ARG 4 -0.032 -5.388 -2.129
26 HG2 ARG 4 HG2 ARG 4 2.234 -4.829 -2.639
27 HG3 ARG 4 HG1 ARG 4 2.038 -3.212 -1.963
28 HD2 ARG 4 HD2 ARG 4 3.212 -4.594 -0.379
29 HD3 ARG 4 HD1 ARG 4 1.608 -4.227 0.247
30 HE ARG 4 HE ARG 4 1.743 -6.716 -1.177
31 HH11 ARG 4 HH11 ARG 4 2.174 -5.166 1.930
32 HH12 ARG 4 HH12 ARG 4 2.021 -6.642 2.827
33 HH21 ARG 4 HH21 ARG 4 1.515 -8.656 0.009
34 HH22 ARG 4 HH22 ARG 4 1.644 -8.624 1.738
35 H LEU 5 HN LEU 5 -1.876 -1.718 -3.010
36 HA LEU 5 HA LEU 5 0.256 0.319 -3.079
37 HB2 LEU 5 HB2 LEU 5 -2.594 0.582 -4.052
38 HB3 LEU 5 HB1 LEU 5 -1.408 1.874 -4.025
39 HG LEU 5 HG LEU 5 -1.200 -0.642 -5.680
40 HD11 LEU 5 HD11 LEU 5 -1.862 2.184 -6.485
41 HD12 LEU 5 HD12 LEU 5 -2.979 0.821 -6.465
42 HD13 LEU 5 HD13 LEU 5 -1.617 0.828 -7.584
43 HD21 LEU 5 HD21 LEU 5 0.665 0.537 -6.773
44 HD22 LEU 5 HD22 LEU 5 0.986 0.197 -5.074
45 HD23 LEU 5 HD23 LEU 5 0.530 1.824 -5.576
46 H CYS 6 HN CYS 6 0.414 1.522 -1.291
47 HA CYS 6 HA CYS 6 -1.756 1.251 0.673
48 HB2 CYS 6 HB2 CYS 6 1.109 1.893 1.321
49 HB3 CYS 6 HB1 CYS 6 -0.146 1.325 2.410
50 H TYR 7 HN TYR 7 -2.810 3.011 1.239
51 HA TYR 7 HA TYR 7 -1.688 5.617 0.441
52 HB2 TYR 7 HB2 TYR 7 -4.590 4.787 0.665
53 HB3 TYR 7 HB1 TYR 7 -4.013 6.376 0.184
54 HD1 TYR 7 HD1 TYR 7 -4.540 2.920 -0.868
55 HD2 TYR 7 HD2 TYR 7 -3.022 6.723 -2.015
56 HE1 TYR 7 HE1 TYR 7 -4.542 2.206 -3.223
57 HE2 TYR 7 HE2 TYR 7 -3.021 6.019 -4.367
58 HH TYR 7 HH TYR 7 -4.628 3.272 -5.468
59 H CYS 8 HN CYS 8 -1.256 6.971 2.054
60 HA CYS 8 HA CYS 8 -2.607 6.549 4.631
61 HB2 CYS 8 HB2 CYS 8 -0.055 8.066 4.050
62 HB3 CYS 8 HB1 CYS 8 -0.755 7.800 5.639
63 H ARG 9 HN ARG 9 -4.132 7.956 5.169
64 HA ARG 9 HA ARG 9 -4.116 10.613 3.908
65 HB2 ARG 9 HB2 ARG 9 -5.616 9.109 2.658
66 HB3 ARG 9 HB1 ARG 9 -6.494 8.759 4.137
67 HG2 ARG 9 HG2 ARG 9 -7.155 11.118 4.284
68 HG3 ARG 9 HG1 ARG 9 -6.311 11.431 2.765
69 HD2 ARG 9 HD2 ARG 9 -8.693 11.127 2.374
70 HD3 ARG 9 HD1 ARG 9 -7.771 9.822 1.631
71 HE ARG 9 HE ARG 9 -9.050 9.473 4.263
72 HH11 ARG 9 HH11 ARG 9 -8.638 8.474 0.926
73 HH12 ARG 9 HH12 ARG 9 -9.531 7.001 1.127
74 HH21 ARG 9 HH21 ARG 9 -10.231 7.534 4.518
75 HH22 ARG 9 HH22 ARG 9 -10.451 6.475 3.161
76 H GLY 10 HN GLY 10 -3.994 12.031 5.507
77 HA2 GLY 10 HA2 GLY 10 -4.559 13.205 7.394
78 HA3 GLY 10 HA1 GLY 10 -6.031 12.248 7.460
79 H TRP 11 HN TRP 11 -6.256 10.899 9.099
80 HA TRP 11 HA TRP 11 -3.934 10.501 10.846
81 HB2 TRP 11 HB2 TRP 11 -5.551 10.182 12.652
82 HB3 TRP 11 HB1 TRP 11 -5.850 11.704 11.824
83 HD1 TRP 11 HD1 TRP 11 -7.527 8.549 12.863
84 HE1 TRP 11 HE1 TRP 11 -9.936 8.473 11.962
85 HE3 TRP 11 HE3 TRP 11 -7.306 12.484 9.602
86 HZ2 TRP 11 HZ2 TRP 11 -11.531 9.896 10.126
87 HZ3 TRP 11 HZ3 TRP 11 -9.321 13.058 8.311
88 HH2 TRP 11 HH2 TRP 11 -11.390 11.787 8.570
89 H ILE 12 HN ILE 12 -5.515 8.867 8.510
90 HA ILE 12 HA ILE 12 -4.991 6.265 9.785
91 HB ILE 12 HB ILE 12 -6.838 5.280 8.467
92 HG12 ILE 12 HG12 ILE 12 -7.594 8.153 7.874
93 HG13 ILE 12 HG11 ILE 12 -6.919 7.027 6.701
94 HG21 ILE 12 HG21 ILE 12 -7.197 5.872 10.791
95 HG22 ILE 12 HG22 ILE 12 -8.666 6.132 9.854
96 HG23 ILE 12 HG23 ILE 12 -7.665 7.505 10.322
97 HD11 ILE 12 HD11 ILE 12 -9.313 7.210 6.437
98 HD12 ILE 12 HD12 ILE 12 -9.556 6.742 8.119
99 HD13 ILE 12 HD13 ILE 12 -8.880 5.586 6.973
100 H CYS 13 HN CYS 13 -4.228 4.612 8.412
101 HA CYS 13 HA CYS 13 -3.743 5.340 5.626
102 HB2 CYS 13 HB2 CYS 13 -1.646 5.832 6.856
103 HB3 CYS 13 HB1 CYS 13 -1.596 4.160 7.403
104 H PHE 14 HN PHE 14 -4.222 3.753 4.260
105 HA PHE 14 HA PHE 14 -4.588 1.036 5.335
106 HB2 PHE 14 HB2 PHE 14 -6.683 0.815 4.124
107 HB3 PHE 14 HB1 PHE 14 -6.777 2.217 5.186
108 HD1 PHE 14 HD1 PHE 14 -6.939 1.018 1.807
109 HD2 PHE 14 HD2 PHE 14 -6.529 4.510 4.201
110 HE1 PHE 14 HE1 PHE 14 -7.542 2.405 -0.126
111 HE2 PHE 14 HE2 PHE 14 -7.140 5.908 2.271
112 HZ PHE 14 HZ PHE 14 -7.646 4.855 0.102
113 H CYS 15 HN CYS 15 -4.356 -0.655 3.756
114 HA CYS 15 HA CYS 15 -3.127 0.251 1.251
115 HB2 CYS 15 HB2 CYS 15 -1.386 -0.409 2.922
116 HB3 CYS 15 HB1 CYS 15 -2.067 -2.030 2.921
117 H VAL 16 HN VAL 16 -3.769 -0.749 -0.537
118 HA VAL 16 HA VAL 16 -5.510 -3.113 -0.219
119 HB VAL 16 HB VAL 16 -5.583 -1.065 -2.447
120 HG11 VAL 16 HG11 VAL 16 -7.688 -2.146 -3.072
121 HG12 VAL 16 HG12 VAL 16 -7.459 -3.334 -1.789
122 HG13 VAL 16 HG13 VAL 16 -6.333 -3.274 -3.145
123 HG21 VAL 16 HG21 VAL 16 -7.422 -1.397 -0.080
124 HG22 VAL 16 HG22 VAL 16 -7.705 -0.317 -1.445
125 HG23 VAL 16 HG23 VAL 16 -6.325 -0.050 -0.379
126 H GLY 17 HN GLY 17 -4.654 -4.931 -0.978
127 HA2 GLY 17 HA2 GLY 17 -3.255 -4.990 -3.494
128 HA3 GLY 17 HA1 GLY 17 -2.214 -5.279 -2.107
129 H ARG 18 HN ARG 18 -3.352 -6.937 -4.426
130 HA ARG 18 HA ARG 18 -4.100 -9.237 -2.757
131 HB2 ARG 18 HB2 ARG 18 -6.093 -8.248 -3.903
132 HB3 ARG 18 HB1 ARG 18 -5.319 -8.574 -5.445
133 HG2 ARG 18 HG2 ARG 18 -5.364 -10.964 -4.968
134 HG3 ARG 18 HG1 ARG 18 -6.121 -10.640 -3.406
135 HD2 ARG 18 HD2 ARG 18 -7.267 -10.027 -6.127
136 HD3 ARG 18 HD1 ARG 18 -7.805 -11.289 -5.018
137 HE ARG 18 HE ARG 18 -8.054 -9.025 -3.554
138 HH11 ARG 18 HH11 ARG 18 -9.210 -9.965 -6.719
139 HH12 ARG 18 HH12 ARG 18 -10.627 -8.969 -6.639
140 HH21 ARG 18 HH21 ARG 18 -9.908 -7.702 -3.452
141 HH22 ARG 18 HH22 ARG 18 -11.027 -7.689 -4.778
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 2.863 -2.671 -4.124
2 H2 ARG 1 HT2 ARG 1 4.419 -2.909 -3.509
3 H3 ARG 1 HT3 ARG 1 3.617 -4.178 -4.284
4 HA ARG 1 HA ARG 1 4.471 -1.653 -5.565
5 HB2 ARG 1 HB2 ARG 1 5.588 -4.453 -5.770
6 HB3 ARG 1 HB1 ARG 1 6.071 -3.107 -6.788
7 HG2 ARG 1 HG2 ARG 1 6.921 -1.926 -4.833
8 HG3 ARG 1 HG1 ARG 1 6.427 -3.274 -3.806
9 HD2 ARG 1 HD2 ARG 1 8.795 -3.427 -4.313
10 HD3 ARG 1 HD1 ARG 1 7.922 -4.760 -5.063
11 HE ARG 1 HE ARG 1 8.533 -2.377 -6.658
12 HH11 ARG 1 HH11 ARG 1 9.024 -5.781 -6.010
13 HH12 ARG 1 HH12 ARG 1 9.872 -6.072 -7.494
14 HH21 ARG 1 HH21 ARG 1 9.656 -2.754 -8.607
15 HH22 ARG 1 HH22 ARG 1 10.231 -4.351 -8.970
16 H GLY 2 HN GLY 2 2.927 -1.190 -7.027
17 HA2 GLY 2 HA2 GLY 2 1.680 -1.448 -8.950
18 HA3 GLY 2 HA1 GLY 2 2.363 -3.057 -9.124
19 H GLY 3 HN GLY 3 1.444 -4.765 -7.748
20 HA2 GLY 3 HA2 GLY 3 -1.412 -4.725 -7.878
21 HA3 GLY 3 HA1 GLY 3 -0.418 -6.016 -7.220
22 H ARG 4 HN ARG 4 0.939 -4.253 -5.340
23 HA ARG 4 HA ARG 4 -1.278 -3.775 -3.467
24 HB2 ARG 4 HB2 ARG 4 0.266 -5.577 -2.767
25 HB3 ARG 4 HB1 ARG 4 1.601 -4.432 -2.821
26 HG2 ARG 4 HG2 ARG 4 0.624 -3.140 -1.036
27 HG3 ARG 4 HG1 ARG 4 -0.803 -4.177 -1.027
28 HD2 ARG 4 HD2 ARG 4 0.643 -6.092 -0.434
29 HD3 ARG 4 HD1 ARG 4 2.020 -4.994 -0.357
30 HE ARG 4 HE ARG 4 0.273 -3.855 1.349
31 HH11 ARG 4 HH11 ARG 4 1.472 -7.125 1.037
32 HH12 ARG 4 HH12 ARG 4 1.322 -7.479 2.728
33 HH21 ARG 4 HH21 ARG 4 0.069 -4.326 3.590
34 HH22 ARG 4 HH22 ARG 4 0.522 -5.896 4.174
35 H LEU 5 HN LEU 5 -1.680 -1.756 -3.029
36 HA LEU 5 HA LEU 5 0.522 0.195 -2.977
37 HB2 LEU 5 HB2 LEU 5 -2.267 0.619 -4.065
38 HB3 LEU 5 HB1 LEU 5 -1.091 1.894 -3.816
39 HG LEU 5 HG LEU 5 -0.754 -0.420 -5.730
40 HD11 LEU 5 HD11 LEU 5 -1.404 2.475 -6.257
41 HD12 LEU 5 HD12 LEU 5 -2.511 1.115 -6.444
42 HD13 LEU 5 HD13 LEU 5 -1.088 1.243 -7.479
43 HD21 LEU 5 HD21 LEU 5 1.375 0.388 -4.887
44 HD22 LEU 5 HD22 LEU 5 0.916 2.049 -5.265
45 HD23 LEU 5 HD23 LEU 5 1.156 0.881 -6.565
46 H CYS 6 HN CYS 6 0.638 1.270 -1.092
47 HA CYS 6 HA CYS 6 -1.740 1.342 0.619
48 HB2 CYS 6 HB2 CYS 6 0.974 0.480 1.639
49 HB3 CYS 6 HB1 CYS 6 -0.555 0.466 2.515
50 H TYR 7 HN TYR 7 -2.056 3.284 1.466
51 HA TYR 7 HA TYR 7 0.209 5.123 1.748
52 HB2 TYR 7 HB2 TYR 7 -2.396 5.800 0.355
53 HB3 TYR 7 HB1 TYR 7 -1.109 6.942 0.723
54 HD1 TYR 7 HD1 TYR 7 1.121 6.658 -0.410
55 HD2 TYR 7 HD2 TYR 7 -2.332 4.482 -1.604
56 HE1 TYR 7 HE1 TYR 7 2.189 6.157 -2.565
57 HE2 TYR 7 HE2 TYR 7 -1.273 3.976 -3.763
58 HH TYR 7 HH TYR 7 2.013 4.433 -4.346
59 H CYS 8 HN CYS 8 -0.077 6.734 3.300
60 HA CYS 8 HA CYS 8 -2.387 6.337 5.074
61 HB2 CYS 8 HB2 CYS 8 0.264 7.646 5.722
62 HB3 CYS 8 HB1 CYS 8 -1.027 7.281 6.858
63 H ARG 9 HN ARG 9 -3.859 7.917 5.187
64 HA ARG 9 HA ARG 9 -3.160 10.547 4.068
65 HB2 ARG 9 HB2 ARG 9 -4.368 9.273 2.377
66 HB3 ARG 9 HB1 ARG 9 -5.656 8.932 3.523
67 HG2 ARG 9 HG2 ARG 9 -6.172 11.331 3.636
68 HG3 ARG 9 HG1 ARG 9 -4.908 11.639 2.441
69 HD2 ARG 9 HD2 ARG 9 -6.070 10.325 0.797
70 HD3 ARG 9 HD1 ARG 9 -7.270 9.830 1.985
71 HE ARG 9 HE ARG 9 -7.049 12.684 1.522
72 HH11 ARG 9 HH11 ARG 9 -8.708 9.695 0.784
73 HH12 ARG 9 HH12 ARG 9 -10.104 10.475 0.123
74 HH21 ARG 9 HH21 ARG 9 -8.892 13.732 0.652
75 HH22 ARG 9 HH22 ARG 9 -10.209 12.782 0.047
76 H GLY 10 HN GLY 10 -3.394 12.020 5.597
77 HA2 GLY 10 HA2 GLY 10 -4.504 13.344 7.134
78 HA3 GLY 10 HA1 GLY 10 -5.873 12.243 7.041
79 H TRP 11 HN TRP 11 -6.240 10.962 8.717
80 HA TRP 11 HA TRP 11 -3.992 10.413 10.537
81 HB2 TRP 11 HB2 TRP 11 -6.874 10.985 11.228
82 HB3 TRP 11 HB1 TRP 11 -5.727 10.290 12.370
83 HD1 TRP 11 HD1 TRP 11 -6.682 13.564 10.713
84 HE1 TRP 11 HE1 TRP 11 -5.342 15.480 11.793
85 HE3 TRP 11 HE3 TRP 11 -3.428 10.793 13.512
86 HZ2 TRP 11 HZ2 TRP 11 -3.186 15.771 13.591
87 HZ3 TRP 11 HZ3 TRP 11 -1.753 11.966 14.882
88 HH2 TRP 11 HH2 TRP 11 -1.635 14.404 14.919
89 H ILE 12 HN ILE 12 -5.879 9.077 8.295
90 HA ILE 12 HA ILE 12 -5.861 6.459 9.647
91 HB ILE 12 HB ILE 12 -7.604 5.715 8.087
92 HG12 ILE 12 HG12 ILE 12 -7.720 8.607 7.200
93 HG13 ILE 12 HG11 ILE 12 -7.091 7.276 6.234
94 HG21 ILE 12 HG21 ILE 12 -9.473 6.981 9.060
95 HG22 ILE 12 HG22 ILE 12 -8.330 8.187 9.650
96 HG23 ILE 12 HG23 ILE 12 -8.265 6.536 10.264
97 HD11 ILE 12 HD11 ILE 12 -9.925 7.556 7.207
98 HD12 ILE 12 HD12 ILE 12 -9.294 6.245 6.211
99 HD13 ILE 12 HD13 ILE 12 -9.353 7.888 5.574
100 H CYS 13 HN CYS 13 -5.123 4.670 8.423
101 HA CYS 13 HA CYS 13 -3.796 5.375 5.906
102 HB2 CYS 13 HB2 CYS 13 -2.149 5.284 7.811
103 HB3 CYS 13 HB1 CYS 13 -2.556 3.581 8.002
104 H PHE 14 HN PHE 14 -3.848 3.830 4.327
105 HA PHE 14 HA PHE 14 -5.324 1.373 4.970
106 HB2 PHE 14 HB2 PHE 14 -6.574 1.607 2.850
107 HB3 PHE 14 HB1 PHE 14 -6.907 2.929 3.964
108 HD1 PHE 14 HD1 PHE 14 -5.255 1.968 0.841
109 HD2 PHE 14 HD2 PHE 14 -6.245 5.175 3.460
110 HE1 PHE 14 HE1 PHE 14 -4.647 3.577 -0.905
111 HE2 PHE 14 HE2 PHE 14 -5.641 6.794 1.715
112 HZ PHE 14 HZ PHE 14 -4.840 5.998 -0.477
113 H CYS 15 HN CYS 15 -4.948 -0.376 3.530
114 HA CYS 15 HA CYS 15 -2.617 -0.157 1.789
115 HB2 CYS 15 HB2 CYS 15 -1.831 -0.737 4.103
116 HB3 CYS 15 HB1 CYS 15 -2.822 -2.184 4.032
117 H VAL 16 HN VAL 16 -3.202 -1.084 -0.083
118 HA VAL 16 HA VAL 16 -5.201 -3.247 0.015
119 HB VAL 16 HB VAL 16 -4.999 -1.073 -2.078
120 HG11 VAL 16 HG11 VAL 16 -6.987 -3.321 -1.766
121 HG12 VAL 16 HG12 VAL 16 -5.755 -3.182 -3.021
122 HG13 VAL 16 HG13 VAL 16 -7.084 -2.022 -2.956
123 HG21 VAL 16 HG21 VAL 16 -5.891 -0.242 0.045
124 HG22 VAL 16 HG22 VAL 16 -7.101 -1.524 0.040
125 HG23 VAL 16 HG23 VAL 16 -7.133 -0.276 -1.206
126 H GLY 17 HN GLY 17 -4.433 -5.091 -0.774
127 HA2 GLY 17 HA2 GLY 17 -2.835 -5.079 -3.197
128 HA3 GLY 17 HA1 GLY 17 -2.027 -5.693 -1.764
129 H ARG 18 HN ARG 18 -2.487 -7.200 -4.074
130 HA ARG 18 HA ARG 18 -4.381 -9.198 -3.039
131 HB2 ARG 18 HB2 ARG 18 -3.637 -8.679 -5.925
132 HB3 ARG 18 HB1 ARG 18 -4.702 -9.958 -5.363
133 HG2 ARG 18 HG2 ARG 18 -5.211 -7.003 -5.089
134 HG3 ARG 18 HG1 ARG 18 -5.940 -8.071 -6.286
135 HD2 ARG 18 HD2 ARG 18 -6.244 -8.326 -3.298
136 HD3 ARG 18 HD1 ARG 18 -7.436 -7.631 -4.392
137 HE ARG 18 HE ARG 18 -6.691 -10.293 -5.125
138 HH11 ARG 18 HH11 ARG 18 -8.748 -8.407 -3.015
139 HH12 ARG 18 HH12 ARG 18 -9.913 -9.673 -2.812
140 HH21 ARG 18 HH21 ARG 18 -8.221 -11.956 -4.865
141 HH22 ARG 18 HH22 ARG 18 -9.625 -11.689 -3.881
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 8.215 -4.728 -7.707
2 H2 ARG 1 HT2 ARG 1 7.846 -4.909 -6.065
3 H3 ARG 1 HT3 ARG 1 6.748 -4.145 -7.097
4 HA ARG 1 HA ARG 1 6.377 -6.172 -8.298
5 HB2 ARG 1 HB2 ARG 1 8.584 -7.157 -8.047
6 HB3 ARG 1 HB1 ARG 1 8.350 -7.319 -6.314
7 HG2 ARG 1 HG2 ARG 1 8.091 -9.445 -7.519
8 HG3 ARG 1 HG1 ARG 1 6.627 -8.972 -6.656
9 HD2 ARG 1 HD2 ARG 1 6.132 -9.851 -8.895
10 HD3 ARG 1 HD1 ARG 1 5.639 -8.168 -8.721
11 HE ARG 1 HE ARG 1 8.263 -8.553 -9.873
12 HH11 ARG 1 HH11 ARG 1 4.833 -8.203 -10.501
13 HH12 ARG 1 HH12 ARG 1 5.061 -7.655 -12.130
14 HH21 ARG 1 HH21 ARG 1 8.563 -7.842 -12.017
15 HH22 ARG 1 HH22 ARG 1 7.180 -7.461 -12.994
16 H GLY 2 HN GLY 2 4.396 -6.813 -7.783
17 HA2 GLY 2 HA2 GLY 2 2.917 -7.995 -6.272
18 HA3 GLY 2 HA1 GLY 2 3.740 -7.203 -4.934
19 H GLY 3 HN GLY 3 0.900 -7.258 -6.370
20 HA2 GLY 3 HA2 GLY 3 0.445 -4.454 -6.859
21 HA3 GLY 3 HA1 GLY 3 -0.763 -5.729 -6.874
22 H ARG 4 HN ARG 4 1.376 -4.114 -4.541
23 HA ARG 4 HA ARG 4 -0.917 -3.986 -2.695
24 HB2 ARG 4 HB2 ARG 4 2.030 -4.035 -2.012
25 HB3 ARG 4 HB1 ARG 4 0.715 -3.902 -0.856
26 HG2 ARG 4 HG2 ARG 4 -0.085 -6.120 -1.529
27 HG3 ARG 4 HG1 ARG 4 1.274 -6.256 -2.647
28 HD2 ARG 4 HD2 ARG 4 1.473 -5.916 0.343
29 HD3 ARG 4 HD1 ARG 4 1.708 -7.425 -0.537
30 HE ARG 4 HE ARG 4 3.519 -5.838 -1.700
31 HH11 ARG 4 HH11 ARG 4 2.789 -6.421 1.671
32 HH12 ARG 4 HH12 ARG 4 4.412 -6.124 2.205
33 HH21 ARG 4 HH21 ARG 4 5.661 -5.471 -1.006
34 HH22 ARG 4 HH22 ARG 4 6.044 -5.573 0.684
35 H LEU 5 HN LEU 5 -1.696 -2.026 -2.420
36 HA LEU 5 HA LEU 5 0.112 0.273 -2.760
37 HB2 LEU 5 HB2 LEU 5 -2.746 0.063 -3.714
38 HB3 LEU 5 HB1 LEU 5 -1.747 1.500 -3.811
39 HG LEU 5 HG LEU 5 -1.198 -1.094 -5.256
40 HD11 LEU 5 HD11 LEU 5 -2.267 1.533 -6.267
41 HD12 LEU 5 HD12 LEU 5 -3.165 0.022 -6.132
42 HD13 LEU 5 HD13 LEU 5 -1.819 0.150 -7.264
43 HD21 LEU 5 HD21 LEU 5 0.476 0.239 -6.473
44 HD22 LEU 5 HD22 LEU 5 0.847 0.095 -4.757
45 HD23 LEU 5 HD23 LEU 5 0.163 1.591 -5.386
46 H CYS 6 HN CYS 6 0.047 1.725 -1.166
47 HA CYS 6 HA CYS 6 -2.145 1.515 0.787
48 HB2 CYS 6 HB2 CYS 6 0.683 2.477 1.269
49 HB3 CYS 6 HB1 CYS 6 -0.581 2.328 2.483
50 H TYR 7 HN TYR 7 -3.290 3.308 1.253
51 HA TYR 7 HA TYR 7 -2.349 5.849 0.091
52 HB2 TYR 7 HB2 TYR 7 -5.213 4.898 0.366
53 HB3 TYR 7 HB1 TYR 7 -4.709 6.465 -0.264
54 HD1 TYR 7 HD1 TYR 7 -5.263 2.982 -1.022
55 HD2 TYR 7 HD2 TYR 7 -3.390 6.544 -2.405
56 HE1 TYR 7 HE1 TYR 7 -5.089 2.011 -3.274
57 HE2 TYR 7 HE2 TYR 7 -3.216 5.582 -4.661
58 HH TYR 7 HH TYR 7 -3.166 3.383 -5.721
59 H CYS 8 HN CYS 8 -1.934 7.342 1.561
60 HA CYS 8 HA CYS 8 -3.039 6.947 4.258
61 HB2 CYS 8 HB2 CYS 8 -0.554 8.490 3.496
62 HB3 CYS 8 HB1 CYS 8 -1.090 8.094 5.120
63 H ARG 9 HN ARG 9 -4.451 8.368 4.967
64 HA ARG 9 HA ARG 9 -4.331 11.130 3.955
65 HB2 ARG 9 HB2 ARG 9 -6.772 9.468 4.597
66 HB3 ARG 9 HB1 ARG 9 -6.815 11.205 4.347
67 HG2 ARG 9 HG2 ARG 9 -5.957 10.873 2.064
68 HG3 ARG 9 HG1 ARG 9 -6.003 9.128 2.327
69 HD2 ARG 9 HD2 ARG 9 -8.411 10.913 2.614
70 HD3 ARG 9 HD1 ARG 9 -7.980 10.109 1.109
71 HE ARG 9 HE ARG 9 -8.492 8.032 2.087
72 HH11 ARG 9 HH11 ARG 9 -9.123 10.714 4.254
73 HH12 ARG 9 HH12 ARG 9 -10.166 9.797 5.291
74 HH21 ARG 9 HH21 ARG 9 -9.903 6.834 3.440
75 HH22 ARG 9 HH22 ARG 9 -10.620 7.603 4.821
76 H GLY 10 HN GLY 10 -2.978 11.580 5.777
77 HA2 GLY 10 HA2 GLY 10 -2.724 12.615 7.811
78 HA3 GLY 10 HA1 GLY 10 -4.471 12.586 7.979
79 H TRP 11 HN TRP 11 -5.427 11.036 9.227
80 HA TRP 11 HA TRP 11 -3.559 9.542 10.919
81 HB2 TRP 11 HB2 TRP 11 -6.419 10.396 11.384
82 HB3 TRP 11 HB1 TRP 11 -5.478 9.428 12.514
83 HD1 TRP 11 HD1 TRP 11 -5.843 12.988 11.199
84 HE1 TRP 11 HE1 TRP 11 -4.498 14.576 12.714
85 HE3 TRP 11 HE3 TRP 11 -3.433 9.512 14.065
86 HZ2 TRP 11 HZ2 TRP 11 -2.657 14.373 14.844
87 HZ3 TRP 11 HZ3 TRP 11 -1.897 10.293 15.821
88 HH2 TRP 11 HH2 TRP 11 -1.520 12.674 16.200
89 H ILE 12 HN ILE 12 -5.163 8.868 8.244
90 HA ILE 12 HA ILE 12 -5.567 6.093 9.079
91 HB ILE 12 HB ILE 12 -7.805 6.977 9.041
92 HG12 ILE 12 HG12 ILE 12 -8.829 5.581 7.248
93 HG13 ILE 12 HG11 ILE 12 -7.226 5.343 6.563
94 HG21 ILE 12 HG21 ILE 12 -7.221 7.938 6.247
95 HG22 ILE 12 HG22 ILE 12 -7.463 8.944 7.676
96 HG23 ILE 12 HG23 ILE 12 -8.797 7.983 7.038
97 HD11 ILE 12 HD11 ILE 12 -7.922 3.433 7.889
98 HD12 ILE 12 HD12 ILE 12 -8.114 4.473 9.301
99 HD13 ILE 12 HD13 ILE 12 -6.514 4.219 8.601
100 H CYS 13 HN CYS 13 -4.282 4.855 7.911
101 HA CYS 13 HA CYS 13 -4.110 5.378 5.031
102 HB2 CYS 13 HB2 CYS 13 -2.021 6.189 6.117
103 HB3 CYS 13 HB1 CYS 13 -1.753 4.568 6.753
104 H PHE 14 HN PHE 14 -4.787 3.682 3.953
105 HA PHE 14 HA PHE 14 -4.725 1.066 5.298
106 HB2 PHE 14 HB2 PHE 14 -6.750 0.484 4.053
107 HB3 PHE 14 HB1 PHE 14 -7.008 1.937 5.011
108 HD1 PHE 14 HD1 PHE 14 -6.778 0.542 1.668
109 HD2 PHE 14 HD2 PHE 14 -7.233 4.115 3.928
110 HE1 PHE 14 HE1 PHE 14 -7.529 1.713 -0.351
111 HE2 PHE 14 HE2 PHE 14 -7.989 5.300 1.910
112 HZ PHE 14 HZ PHE 14 -8.138 4.100 -0.237
113 H CYS 15 HN CYS 15 -4.370 -0.781 3.989
114 HA CYS 15 HA CYS 15 -2.924 -0.173 1.504
115 HB2 CYS 15 HB2 CYS 15 -2.239 -2.223 3.618
116 HB3 CYS 15 HB1 CYS 15 -1.445 -2.109 2.051
117 H VAL 16 HN VAL 16 -3.436 -1.307 -0.243
118 HA VAL 16 HA VAL 16 -5.370 -3.511 0.070
119 HB VAL 16 HB VAL 16 -4.946 -1.731 -2.341
120 HG11 VAL 16 HG11 VAL 16 -5.742 -3.959 -2.922
121 HG12 VAL 16 HG12 VAL 16 -6.995 -2.748 -3.194
122 HG13 VAL 16 HG13 VAL 16 -7.073 -3.793 -1.776
123 HG21 VAL 16 HG21 VAL 16 -7.121 -0.740 -1.771
124 HG22 VAL 16 HG22 VAL 16 -5.916 -0.460 -0.515
125 HG23 VAL 16 HG23 VAL 16 -7.155 -1.695 -0.287
126 H GLY 17 HN GLY 17 -4.605 -5.460 -0.401
127 HA2 GLY 17 HA2 GLY 17 -2.229 -5.636 -2.144
128 HA3 GLY 17 HA1 GLY 17 -2.563 -6.742 -0.818
129 H ARG 18 HN ARG 18 -2.441 -6.652 -3.999
130 HA ARG 18 HA ARG 18 -4.798 -8.375 -4.385
131 HB2 ARG 18 HB2 ARG 18 -4.742 -6.288 -5.740
132 HB3 ARG 18 HB1 ARG 18 -3.230 -6.823 -6.458
133 HG2 ARG 18 HG2 ARG 18 -5.124 -7.224 -7.937
134 HG3 ARG 18 HG1 ARG 18 -4.358 -8.737 -7.450
135 HD2 ARG 18 HD2 ARG 18 -6.810 -8.872 -7.401
136 HD3 ARG 18 HD1 ARG 18 -6.094 -9.124 -5.811
137 HE ARG 18 HE ARG 18 -6.977 -6.420 -6.431
138 HH11 ARG 18 HH11 ARG 18 -7.644 -9.467 -4.855
139 HH12 ARG 18 HH12 ARG 18 -8.868 -8.814 -3.817
140 HH21 ARG 18 HH21 ARG 18 -8.575 -5.538 -5.034
141 HH22 ARG 18 HH22 ARG 18 -9.382 -6.579 -3.904
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 7.826 -5.966 -6.856
2 H2 ARG 1 HT2 ARG 1 6.136 -5.880 -6.817
3 H3 ARG 1 HT3 ARG 1 7.048 -5.145 -5.602
4 HA ARG 1 HA ARG 1 7.989 -3.599 -7.197
5 HB2 ARG 1 HB2 ARG 1 5.978 -4.795 -9.116
6 HB3 ARG 1 HB1 ARG 1 7.084 -3.474 -9.447
7 HG2 ARG 1 HG2 ARG 1 7.917 -6.296 -8.838
8 HG3 ARG 1 HG1 ARG 1 7.770 -5.610 -10.454
9 HD2 ARG 1 HD2 ARG 1 9.456 -3.916 -9.853
10 HD3 ARG 1 HD1 ARG 1 9.629 -4.679 -8.273
11 HE ARG 1 HE ARG 1 10.040 -6.437 -10.525
12 HH11 ARG 1 HH11 ARG 1 11.531 -4.252 -8.243
13 HH12 ARG 1 HH12 ARG 1 13.116 -4.932 -8.434
14 HH21 ARG 1 HH21 ARG 1 12.119 -7.334 -10.788
15 HH22 ARG 1 HH22 ARG 1 13.453 -6.684 -9.886
16 H GLY 2 HN GLY 2 4.608 -4.439 -7.891
17 HA2 GLY 2 HA2 GLY 2 3.670 -2.332 -6.116
18 HA3 GLY 2 HA1 GLY 2 3.351 -2.105 -7.831
19 H GLY 3 HN GLY 3 3.317 -5.017 -5.822
20 HA2 GLY 3 HA2 GLY 3 0.882 -5.934 -7.004
21 HA3 GLY 3 HA1 GLY 3 1.731 -6.680 -5.658
22 H ARG 4 HN ARG 4 1.653 -4.046 -4.211
23 HA ARG 4 HA ARG 4 -1.199 -4.042 -3.515
24 HB2 ARG 4 HB2 ARG 4 -0.603 -3.802 -1.148
25 HB3 ARG 4 HB1 ARG 4 0.017 -5.306 -1.813
26 HG2 ARG 4 HG2 ARG 4 2.232 -4.240 -2.054
27 HG3 ARG 4 HG1 ARG 4 1.586 -2.795 -1.275
28 HD2 ARG 4 HD2 ARG 4 2.726 -4.080 0.387
29 HD3 ARG 4 HD1 ARG 4 0.995 -4.202 0.690
30 HE ARG 4 HE ARG 4 2.074 -6.347 -0.907
31 HH11 ARG 4 HH11 ARG 4 1.379 -5.213 2.331
32 HH12 ARG 4 HH12 ARG 4 1.398 -6.801 3.029
33 HH21 ARG 4 HH21 ARG 4 2.103 -8.448 0.017
34 HH22 ARG 4 HH22 ARG 4 1.801 -8.637 1.715
35 H LEU 5 HN LEU 5 -2.069 -2.095 -2.862
36 HA LEU 5 HA LEU 5 -0.358 0.261 -3.322
37 HB2 LEU 5 HB2 LEU 5 -3.317 -0.056 -3.850
38 HB3 LEU 5 HB1 LEU 5 -2.410 1.430 -4.058
39 HG LEU 5 HG LEU 5 -1.948 -1.112 -5.624
40 HD11 LEU 5 HD11 LEU 5 -4.086 -0.082 -6.179
41 HD12 LEU 5 HD12 LEU 5 -2.929 0.108 -7.496
42 HD13 LEU 5 HD13 LEU 5 -3.283 1.467 -6.431
43 HD21 LEU 5 HD21 LEU 5 -0.529 0.305 -7.033
44 HD22 LEU 5 HD22 LEU 5 0.079 0.211 -5.381
45 HD23 LEU 5 HD23 LEU 5 -0.780 1.651 -5.925
46 H CYS 6 HN CYS 6 -0.079 1.500 -1.584
47 HA CYS 6 HA CYS 6 -1.935 1.107 0.661
48 HB2 CYS 6 HB2 CYS 6 0.963 1.963 0.779
49 HB3 CYS 6 HB1 CYS 6 -0.079 1.626 2.154
50 H TYR 7 HN TYR 7 -3.115 2.793 1.247
51 HA TYR 7 HA TYR 7 -2.323 5.450 0.243
52 HB2 TYR 7 HB2 TYR 7 -5.105 4.355 0.717
53 HB3 TYR 7 HB1 TYR 7 -4.732 5.985 0.175
54 HD1 TYR 7 HD1 TYR 7 -5.069 2.501 -0.796
55 HD2 TYR 7 HD2 TYR 7 -3.825 6.357 -2.093
56 HE1 TYR 7 HE1 TYR 7 -5.133 1.731 -3.130
57 HE2 TYR 7 HE2 TYR 7 -3.884 5.597 -4.429
58 HH TYR 7 HH TYR 7 -3.764 3.511 -5.689
59 H CYS 8 HN CYS 8 -1.733 6.788 1.798
60 HA CYS 8 HA CYS 8 -2.963 6.499 4.453
61 HB2 CYS 8 HB2 CYS 8 -0.439 7.993 3.705
62 HB3 CYS 8 HB1 CYS 8 -1.061 7.751 5.330
63 H ARG 9 HN ARG 9 -4.146 8.159 5.291
64 HA ARG 9 HA ARG 9 -4.269 10.673 3.815
65 HB2 ARG 9 HB2 ARG 9 -5.894 9.144 2.744
66 HB3 ARG 9 HB1 ARG 9 -6.691 8.930 4.294
67 HG2 ARG 9 HG2 ARG 9 -7.344 11.243 4.337
68 HG3 ARG 9 HG1 ARG 9 -6.423 11.563 2.864
69 HD2 ARG 9 HD2 ARG 9 -7.859 9.997 1.641
70 HD3 ARG 9 HD1 ARG 9 -8.788 9.713 3.111
71 HE ARG 9 HE ARG 9 -9.058 12.334 2.888
72 HH11 ARG 9 HH11 ARG 9 -9.239 9.879 0.401
73 HH12 ARG 9 HH12 ARG 9 -10.402 10.748 -0.551
74 HH21 ARG 9 HH21 ARG 9 -10.601 13.473 1.647
75 HH22 ARG 9 HH22 ARG 9 -11.183 12.782 0.166
76 H GLY 10 HN GLY 10 -3.866 12.065 5.389
77 HA2 GLY 10 HA2 GLY 10 -4.279 13.347 7.255
78 HA3 GLY 10 HA1 GLY 10 -5.728 12.393 7.534
79 H TRP 11 HN TRP 11 -5.730 11.109 9.248
80 HA TRP 11 HA TRP 11 -3.178 10.632 10.609
81 HB2 TRP 11 HB2 TRP 11 -5.984 10.456 11.720
82 HB3 TRP 11 HB1 TRP 11 -4.485 10.359 12.641
83 HD1 TRP 11 HD1 TRP 11 -2.962 12.706 12.608
84 HE1 TRP 11 HE1 TRP 11 -3.780 15.147 12.686
85 HE3 TRP 11 HE3 TRP 11 -7.795 11.988 11.110
86 HZ2 TRP 11 HZ2 TRP 11 -6.162 16.576 12.173
87 HZ3 TRP 11 HZ3 TRP 11 -9.277 13.943 10.930
88 HH2 TRP 11 HH2 TRP 11 -8.476 16.186 11.451
89 H ILE 12 HN ILE 12 -5.392 9.079 8.670
90 HA ILE 12 HA ILE 12 -4.787 6.463 9.880
91 HB ILE 12 HB ILE 12 -6.847 5.598 8.844
92 HG12 ILE 12 HG12 ILE 12 -7.442 8.494 8.189
93 HG13 ILE 12 HG11 ILE 12 -6.986 7.268 7.008
94 HG21 ILE 12 HG21 ILE 12 -8.435 6.684 10.374
95 HG22 ILE 12 HG22 ILE 12 -7.259 7.965 10.665
96 HG23 ILE 12 HG23 ILE 12 -6.900 6.309 11.156
97 HD11 ILE 12 HD11 ILE 12 -9.008 6.012 7.527
98 HD12 ILE 12 HD12 ILE 12 -9.384 7.656 7.013
99 HD13 ILE 12 HD13 ILE 12 -9.460 7.228 8.722
100 H CYS 13 HN CYS 13 -4.276 4.743 8.486
101 HA CYS 13 HA CYS 13 -4.019 5.353 5.646
102 HB2 CYS 13 HB2 CYS 13 -1.823 5.890 6.665
103 HB3 CYS 13 HB1 CYS 13 -1.734 4.245 7.289
104 H PHE 14 HN PHE 14 -4.282 3.609 4.331
105 HA PHE 14 HA PHE 14 -4.548 0.964 5.554
106 HB2 PHE 14 HB2 PHE 14 -6.711 0.587 4.441
107 HB3 PHE 14 HB1 PHE 14 -6.814 1.922 5.584
108 HD1 PHE 14 HD1 PHE 14 -7.086 4.209 4.801
109 HD2 PHE 14 HD2 PHE 14 -6.901 0.947 2.075
110 HE1 PHE 14 HE1 PHE 14 -7.971 5.653 3.017
111 HE2 PHE 14 HE2 PHE 14 -7.780 2.382 0.291
112 HZ PHE 14 HZ PHE 14 -8.318 4.741 0.758
113 H CYS 15 HN CYS 15 -4.404 -0.763 3.974
114 HA CYS 15 HA CYS 15 -3.400 0.120 1.375
115 HB2 CYS 15 HB2 CYS 15 -1.471 -0.246 2.923
116 HB3 CYS 15 HB1 CYS 15 -1.977 -1.922 3.092
117 H VAL 16 HN VAL 16 -3.988 -1.106 -0.296
118 HA VAL 16 HA VAL 16 -5.436 -3.598 0.306
119 HB VAL 16 HB VAL 16 -6.631 -3.178 -1.897
120 HG11 VAL 16 HG11 VAL 16 -7.055 -1.224 0.361
121 HG12 VAL 16 HG12 VAL 16 -7.736 -2.847 0.237
122 HG13 VAL 16 HG13 VAL 16 -8.232 -1.594 -0.901
123 HG21 VAL 16 HG21 VAL 16 -5.080 -1.502 -2.798
124 HG22 VAL 16 HG22 VAL 16 -5.534 -0.391 -1.508
125 HG23 VAL 16 HG23 VAL 16 -6.728 -0.879 -2.711
126 H GLY 17 HN GLY 17 -4.584 -5.404 -0.484
127 HA2 GLY 17 HA2 GLY 17 -2.496 -5.126 -2.550
128 HA3 GLY 17 HA1 GLY 17 -2.474 -6.340 -1.283
129 H ARG 18 HN ARG 18 -3.025 -5.863 -4.463
130 HA ARG 18 HA ARG 18 -4.003 -8.508 -4.812
131 HB2 ARG 18 HB2 ARG 18 -6.154 -7.395 -4.365
132 HB3 ARG 18 HB1 ARG 18 -5.827 -6.243 -5.653
133 HG2 ARG 18 HG2 ARG 18 -5.937 -7.977 -7.309
134 HG3 ARG 18 HG1 ARG 18 -6.081 -9.213 -6.061
135 HD2 ARG 18 HD2 ARG 18 -8.072 -6.997 -6.520
136 HD3 ARG 18 HD1 ARG 18 -8.235 -8.634 -7.151
137 HE ARG 18 HE ARG 18 -7.849 -8.617 -4.322
138 HH11 ARG 18 HH11 ARG 18 -10.251 -8.120 -6.819
139 HH12 ARG 18 HH12 ARG 18 -11.584 -8.562 -5.802
140 HH21 ARG 18 HH21 ARG 18 -9.599 -9.207 -2.981
141 HH22 ARG 18 HH22 ARG 18 -11.214 -9.180 -3.615
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 2.468 0.313 -5.615
2 H2 ARG 1 HT2 ARG 1 0.895 0.095 -5.035
3 H3 ARG 1 HT3 ARG 1 1.477 1.655 -5.336
4 HA ARG 1 HA ARG 1 -0.024 0.940 -7.081
5 HB2 ARG 1 HB2 ARG 1 1.902 2.458 -7.557
6 HB3 ARG 1 HB1 ARG 1 2.858 1.054 -8.001
7 HG2 ARG 1 HG2 ARG 1 1.218 0.575 -9.803
8 HG3 ARG 1 HG1 ARG 1 0.398 2.083 -9.395
9 HD2 ARG 1 HD2 ARG 1 2.508 3.299 -9.838
10 HD3 ARG 1 HD1 ARG 1 3.244 1.782 -10.347
11 HE ARG 1 HE ARG 1 0.818 2.587 -11.736
12 HH11 ARG 1 HH11 ARG 1 4.319 2.440 -11.756
13 HH12 ARG 1 HH12 ARG 1 4.445 2.706 -13.464
14 HH21 ARG 1 HH21 ARG 1 0.988 2.952 -13.979
15 HH22 ARG 1 HH22 ARG 1 2.553 3.003 -14.727
16 H GLY 2 HN GLY 2 -0.751 -0.649 -8.438
17 HA2 GLY 2 HA2 GLY 2 -0.813 -2.622 -9.613
18 HA3 GLY 2 HA1 GLY 2 0.915 -2.773 -9.360
19 H GLY 3 HN GLY 3 1.687 -3.829 -7.503
20 HA2 GLY 3 HA2 GLY 3 0.240 -6.165 -6.881
21 HA3 GLY 3 HA1 GLY 3 1.708 -5.629 -6.078
22 H ARG 4 HN ARG 4 0.806 -3.215 -5.025
23 HA ARG 4 HA ARG 4 -1.609 -3.726 -3.528
24 HB2 ARG 4 HB2 ARG 4 -0.605 -3.532 -1.334
25 HB3 ARG 4 HB1 ARG 4 0.121 -4.882 -2.193
26 HG2 ARG 4 HG2 ARG 4 2.076 -3.506 -2.708
27 HG3 ARG 4 HG1 ARG 4 1.346 -2.155 -1.834
28 HD2 ARG 4 HD2 ARG 4 1.299 -3.545 0.205
29 HD3 ARG 4 HD1 ARG 4 2.099 -4.837 -0.684
30 HE ARG 4 HE ARG 4 3.646 -2.504 -0.883
31 HH11 ARG 4 HH11 ARG 4 2.678 -4.919 1.454
32 HH12 ARG 4 HH12 ARG 4 4.085 -4.710 2.449
33 HH21 ARG 4 HH21 ARG 4 5.513 -2.236 0.412
34 HH22 ARG 4 HH22 ARG 4 5.700 -3.176 1.855
35 H LEU 5 HN LEU 5 -2.461 -1.881 -2.559
36 HA LEU 5 HA LEU 5 -1.141 0.637 -3.334
37 HB2 LEU 5 HB2 LEU 5 -4.077 0.125 -2.855
38 HB3 LEU 5 HB1 LEU 5 -3.363 1.641 -3.364
39 HG LEU 5 HG LEU 5 -3.459 -0.907 -4.978
40 HD11 LEU 5 HD11 LEU 5 -4.874 1.732 -5.313
41 HD12 LEU 5 HD12 LEU 5 -5.608 0.211 -4.806
42 HD13 LEU 5 HD13 LEU 5 -4.947 0.370 -6.432
43 HD21 LEU 5 HD21 LEU 5 -1.412 0.325 -5.431
44 HD22 LEU 5 HD22 LEU 5 -2.339 1.802 -5.678
45 HD23 LEU 5 HD23 LEU 5 -2.525 0.450 -6.791
46 H CYS 6 HN CYS 6 -0.321 1.713 -1.672
47 HA CYS 6 HA CYS 6 -1.716 1.564 0.916
48 HB2 CYS 6 HB2 CYS 6 1.243 1.827 0.355
49 HB3 CYS 6 HB1 CYS 6 0.530 2.112 1.939
50 H TYR 7 HN TYR 7 -2.654 3.395 1.459
51 HA TYR 7 HA TYR 7 -1.402 5.921 0.620
52 HB2 TYR 7 HB2 TYR 7 -4.367 5.313 0.539
53 HB3 TYR 7 HB1 TYR 7 -3.633 6.877 0.197
54 HD1 TYR 7 HD1 TYR 7 -4.764 3.827 -1.196
55 HD2 TYR 7 HD2 TYR 7 -1.902 6.924 -1.749
56 HE1 TYR 7 HE1 TYR 7 -4.540 3.192 -3.559
57 HE2 TYR 7 HE2 TYR 7 -1.670 6.296 -4.114
58 HH TYR 7 HH TYR 7 -3.838 4.165 -5.668
59 H CYS 8 HN CYS 8 -0.927 7.095 2.341
60 HA CYS 8 HA CYS 8 -2.596 6.812 4.748
61 HB2 CYS 8 HB2 CYS 8 0.141 8.086 4.574
62 HB3 CYS 8 HB1 CYS 8 -0.735 7.644 6.029
63 H ARG 9 HN ARG 9 -3.998 8.402 5.097
64 HA ARG 9 HA ARG 9 -3.352 11.116 4.189
65 HB2 ARG 9 HB2 ARG 9 -5.942 9.658 3.628
66 HB3 ARG 9 HB1 ARG 9 -5.685 11.373 3.354
67 HG2 ARG 9 HG2 ARG 9 -4.002 10.896 1.688
68 HG3 ARG 9 HG1 ARG 9 -4.134 9.167 2.015
69 HD2 ARG 9 HD2 ARG 9 -6.340 10.931 0.956
70 HD3 ARG 9 HD1 ARG 9 -5.361 9.827 -0.008
71 HE ARG 9 HE ARG 9 -6.537 8.377 2.083
72 HH11 ARG 9 HH11 ARG 9 -7.447 10.039 -0.859
73 HH12 ARG 9 HH12 ARG 9 -8.857 9.070 -1.124
74 HH21 ARG 9 HH21 ARG 9 -8.396 7.083 1.726
75 HH22 ARG 9 HH22 ARG 9 -9.396 7.392 0.341
76 H GLY 10 HN GLY 10 -3.427 12.353 5.921
77 HA2 GLY 10 HA2 GLY 10 -4.209 13.325 7.858
78 HA3 GLY 10 HA1 GLY 10 -5.690 12.395 7.671
79 H TRP 11 HN TRP 11 -6.049 10.874 9.139
80 HA TRP 11 HA TRP 11 -3.718 9.740 10.529
81 HB2 TRP 11 HB2 TRP 11 -6.459 10.366 11.637
82 HB3 TRP 11 HB1 TRP 11 -5.239 9.431 12.497
83 HD1 TRP 11 HD1 TRP 11 -6.495 12.820 12.329
84 HE1 TRP 11 HE1 TRP 11 -4.787 14.522 13.236
85 HE3 TRP 11 HE3 TRP 11 -2.330 9.857 12.329
86 HZ2 TRP 11 HZ2 TRP 11 -2.033 14.593 13.859
87 HZ3 TRP 11 HZ3 TRP 11 -0.198 10.818 13.090
88 HH2 TRP 11 HH2 TRP 11 -0.053 13.136 13.836
89 H ILE 12 HN ILE 12 -5.541 8.957 8.158
90 HA ILE 12 HA ILE 12 -5.863 6.190 9.078
91 HB ILE 12 HB ILE 12 -8.093 7.005 8.832
92 HG12 ILE 12 HG12 ILE 12 -7.398 5.437 6.335
93 HG13 ILE 12 HG11 ILE 12 -7.602 4.736 7.940
94 HG21 ILE 12 HG21 ILE 12 -7.653 8.974 7.478
95 HG22 ILE 12 HG22 ILE 12 -8.943 8.004 6.767
96 HG23 ILE 12 HG23 ILE 12 -7.320 7.953 6.077
97 HD11 ILE 12 HD11 ILE 12 -9.588 4.421 6.578
98 HD12 ILE 12 HD12 ILE 12 -9.728 6.165 6.359
99 HD13 ILE 12 HD13 ILE 12 -9.931 5.458 7.961
100 H CYS 13 HN CYS 13 -4.522 4.906 8.105
101 HA CYS 13 HA CYS 13 -3.899 5.359 5.269
102 HB2 CYS 13 HB2 CYS 13 -1.952 5.927 6.716
103 HB3 CYS 13 HB1 CYS 13 -1.986 4.288 7.360
104 H PHE 14 HN PHE 14 -3.966 3.565 3.975
105 HA PHE 14 HA PHE 14 -4.528 1.003 5.266
106 HB2 PHE 14 HB2 PHE 14 -6.484 0.599 3.894
107 HB3 PHE 14 HB1 PHE 14 -6.706 2.089 4.805
108 HD1 PHE 14 HD1 PHE 14 -6.580 4.265 3.661
109 HD2 PHE 14 HD2 PHE 14 -6.384 0.592 1.520
110 HE1 PHE 14 HE1 PHE 14 -7.070 5.461 1.571
111 HE2 PHE 14 HE2 PHE 14 -6.869 1.782 -0.574
112 HZ PHE 14 HZ PHE 14 -7.213 4.222 -0.554
113 H CYS 15 HN CYS 15 -4.167 -0.810 3.980
114 HA CYS 15 HA CYS 15 -2.842 -0.337 1.405
115 HB2 CYS 15 HB2 CYS 15 -1.957 -2.215 3.603
116 HB3 CYS 15 HB1 CYS 15 -1.349 -2.294 1.953
117 H VAL 16 HN VAL 16 -3.566 -1.587 -0.208
118 HA VAL 16 HA VAL 16 -5.103 -3.988 0.442
119 HB VAL 16 HB VAL 16 -6.809 -2.275 0.245
120 HG11 VAL 16 HG11 VAL 16 -5.570 -1.668 -2.431
121 HG12 VAL 16 HG12 VAL 16 -5.752 -0.583 -1.051
122 HG13 VAL 16 HG13 VAL 16 -7.173 -1.120 -1.942
123 HG21 VAL 16 HG21 VAL 16 -6.732 -4.058 -2.183
124 HG22 VAL 16 HG22 VAL 16 -8.165 -3.248 -1.552
125 HG23 VAL 16 HG23 VAL 16 -7.354 -4.483 -0.590
126 H GLY 17 HN GLY 17 -4.625 -5.643 -0.831
127 HA2 GLY 17 HA2 GLY 17 -3.163 -5.067 -3.331
128 HA3 GLY 17 HA1 GLY 17 -2.862 -6.475 -2.320
129 H ARG 18 HN ARG 18 -4.486 -5.304 -4.995
130 HA ARG 18 HA ARG 18 -6.220 -7.679 -5.049
131 HB2 ARG 18 HB2 ARG 18 -7.507 -5.574 -4.721
132 HB3 ARG 18 HB1 ARG 18 -6.846 -4.965 -6.231
133 HG2 ARG 18 HG2 ARG 18 -7.956 -6.724 -7.467
134 HG3 ARG 18 HG1 ARG 18 -8.561 -7.425 -5.963
135 HD2 ARG 18 HD2 ARG 18 -9.791 -5.337 -5.518
136 HD3 ARG 18 HD1 ARG 18 -9.226 -4.694 -7.060
137 HE ARG 18 HE ARG 18 -10.458 -7.082 -7.658
138 HH11 ARG 18 HH11 ARG 18 -11.379 -4.067 -6.145
139 HH12 ARG 18 HH12 ARG 18 -13.038 -4.170 -6.645
140 HH21 ARG 18 HH21 ARG 18 -12.642 -7.225 -8.333
141 HH22 ARG 18 HH22 ARG 18 -13.752 -5.960 -7.903
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 1.565 -11.992 -12.705
2 H2 ARG 1 HT2 ARG 1 0.077 -12.138 -11.911
3 H3 ARG 1 HT3 ARG 1 1.517 -12.230 -11.032
4 HA ARG 1 HA ARG 1 2.028 -9.952 -11.511
5 HB2 ARG 1 HB2 ARG 1 -0.572 -10.068 -13.039
6 HB3 ARG 1 HB1 ARG 1 0.192 -8.560 -12.564
7 HG2 ARG 1 HG2 ARG 1 1.459 -10.655 -14.313
8 HG3 ARG 1 HG1 ARG 1 0.656 -9.195 -14.894
9 HD2 ARG 1 HD2 ARG 1 2.267 -7.825 -13.660
10 HD3 ARG 1 HD1 ARG 1 3.067 -9.286 -13.088
11 HE ARG 1 HE ARG 1 2.934 -9.269 -15.915
12 HH11 ARG 1 HH11 ARG 1 4.631 -7.819 -13.225
13 HH12 ARG 1 HH12 ARG 1 6.061 -7.481 -14.143
14 HH21 ARG 1 HH21 ARG 1 4.823 -8.852 -17.127
15 HH22 ARG 1 HH22 ARG 1 6.169 -8.070 -16.361
16 H GLY 2 HN GLY 2 0.677 -8.020 -10.578
17 HA2 GLY 2 HA2 GLY 2 -1.548 -8.335 -8.991
18 HA3 GLY 2 HA1 GLY 2 -0.195 -8.861 -7.997
19 H GLY 3 HN GLY 3 -0.186 -7.191 -6.542
20 HA2 GLY 3 HA2 GLY 3 1.352 -5.039 -6.802
21 HA3 GLY 3 HA1 GLY 3 -0.136 -4.459 -7.532
22 H ARG 4 HN ARG 4 1.302 -3.637 -5.093
23 HA ARG 4 HA ARG 4 -0.970 -3.904 -3.241
24 HB2 ARG 4 HB2 ARG 4 1.942 -3.483 -2.517
25 HB3 ARG 4 HB1 ARG 4 0.604 -3.616 -1.383
26 HG2 ARG 4 HG2 ARG 4 0.228 -5.917 -2.053
27 HG3 ARG 4 HG1 ARG 4 1.509 -5.794 -3.258
28 HD2 ARG 4 HD2 ARG 4 2.418 -6.910 -1.359
29 HD3 ARG 4 HD1 ARG 4 3.097 -5.285 -1.394
30 HE ARG 4 HE ARG 4 0.743 -5.613 0.259
31 HH11 ARG 4 HH11 ARG 4 4.234 -5.541 0.099
32 HH12 ARG 4 HH12 ARG 4 4.440 -5.321 1.808
33 HH21 ARG 4 HH21 ARG 4 1.006 -5.317 2.522
34 HH22 ARG 4 HH22 ARG 4 2.606 -5.174 3.178
35 H LEU 5 HN LEU 5 -2.040 -2.067 -3.030
36 HA LEU 5 HA LEU 5 -0.604 0.468 -3.477
37 HB2 LEU 5 HB2 LEU 5 -3.514 -0.146 -4.021
38 HB3 LEU 5 HB1 LEU 5 -2.739 1.409 -4.254
39 HG LEU 5 HG LEU 5 -2.147 -1.121 -5.794
40 HD11 LEU 5 HD11 LEU 5 -3.471 1.454 -6.632
41 HD12 LEU 5 HD12 LEU 5 -4.281 -0.089 -6.376
42 HD13 LEU 5 HD13 LEU 5 -3.109 0.083 -7.681
43 HD21 LEU 5 HD21 LEU 5 -0.709 0.299 -7.176
44 HD22 LEU 5 HD22 LEU 5 -0.133 0.210 -5.512
45 HD23 LEU 5 HD23 LEU 5 -0.986 1.648 -6.075
46 H CYS 6 HN CYS 6 -0.439 1.662 -1.693
47 HA CYS 6 HA CYS 6 -2.513 1.320 0.358
48 HB2 CYS 6 HB2 CYS 6 -0.298 0.326 0.978
49 HB3 CYS 6 HB1 CYS 6 0.400 1.939 0.871
50 H TYR 7 HN TYR 7 -3.472 3.095 1.123
51 HA TYR 7 HA TYR 7 -2.406 5.690 0.230
52 HB2 TYR 7 HB2 TYR 7 -5.299 4.815 0.391
53 HB3 TYR 7 HB1 TYR 7 -4.769 6.460 0.051
54 HD1 TYR 7 HD1 TYR 7 -3.492 6.921 -2.054
55 HD2 TYR 7 HD2 TYR 7 -5.354 3.167 -1.319
56 HE1 TYR 7 HE1 TYR 7 -3.341 6.383 -4.448
57 HE2 TYR 7 HE2 TYR 7 -5.206 2.619 -3.712
58 HH TYR 7 HH TYR 7 -3.275 4.345 -5.874
59 H CYS 8 HN CYS 8 -1.912 7.003 1.830
60 HA CYS 8 HA CYS 8 -3.378 6.814 4.358
61 HB2 CYS 8 HB2 CYS 8 -0.361 6.925 4.197
62 HB3 CYS 8 HB1 CYS 8 -1.341 6.758 5.648
63 H ARG 9 HN ARG 9 -3.967 8.752 5.070
64 HA ARG 9 HA ARG 9 -2.323 11.091 4.572
65 HB2 ARG 9 HB2 ARG 9 -3.682 10.996 2.541
66 HB3 ARG 9 HB1 ARG 9 -5.147 10.881 3.503
67 HG2 ARG 9 HG2 ARG 9 -4.917 13.118 2.663
68 HG3 ARG 9 HG1 ARG 9 -4.691 13.131 4.412
69 HD2 ARG 9 HD2 ARG 9 -2.258 13.170 4.080
70 HD3 ARG 9 HD1 ARG 9 -2.504 13.190 2.335
71 HE ARG 9 HE ARG 9 -3.753 15.334 3.862
72 HH11 ARG 9 HH11 ARG 9 -1.091 14.293 1.847
73 HH12 ARG 9 HH12 ARG 9 -0.597 15.905 1.441
74 HH21 ARG 9 HH21 ARG 9 -3.118 17.462 3.326
75 HH22 ARG 9 HH22 ARG 9 -1.755 17.718 2.283
76 H GLY 10 HN GLY 10 -2.129 11.681 6.645
77 HA2 GLY 10 HA2 GLY 10 -2.866 12.924 8.476
78 HA3 GLY 10 HA1 GLY 10 -4.527 12.632 7.980
79 H TRP 11 HN TRP 11 -5.670 11.163 9.068
80 HA TRP 11 HA TRP 11 -4.206 9.533 11.029
81 HB2 TRP 11 HB2 TRP 11 -7.067 10.514 11.112
82 HB3 TRP 11 HB1 TRP 11 -6.275 9.551 12.358
83 HD1 TRP 11 HD1 TRP 11 -6.589 13.096 11.073
84 HE1 TRP 11 HE1 TRP 11 -5.341 14.690 12.661
85 HE3 TRP 11 HE3 TRP 11 -4.197 9.637 13.980
86 HZ2 TRP 11 HZ2 TRP 11 -3.578 14.504 14.855
87 HZ3 TRP 11 HZ3 TRP 11 -2.748 10.429 15.804
88 HH2 TRP 11 HH2 TRP 11 -2.446 12.814 16.230
89 H ILE 12 HN ILE 12 -5.685 9.256 8.120
90 HA ILE 12 HA ILE 12 -6.605 6.527 8.701
91 HB ILE 12 HB ILE 12 -8.436 7.848 7.854
92 HG12 ILE 12 HG12 ILE 12 -8.986 6.582 5.770
93 HG13 ILE 12 HG11 ILE 12 -7.337 5.969 5.758
94 HG21 ILE 12 HG21 ILE 12 -8.393 8.916 5.653
95 HG22 ILE 12 HG22 ILE 12 -6.689 8.490 5.486
96 HG23 ILE 12 HG23 ILE 12 -7.197 9.614 6.747
97 HD11 ILE 12 HD11 ILE 12 -9.375 5.498 7.922
98 HD12 ILE 12 HD12 ILE 12 -7.725 4.877 7.902
99 HD13 ILE 12 HD13 ILE 12 -8.880 4.342 6.684
100 H CYS 13 HN CYS 13 -5.407 4.943 7.960
101 HA CYS 13 HA CYS 13 -3.878 5.257 5.496
102 HB2 CYS 13 HB2 CYS 13 -2.307 5.952 7.216
103 HB3 CYS 13 HB1 CYS 13 -2.676 4.530 8.176
104 H PHE 14 HN PHE 14 -4.364 3.538 4.286
105 HA PHE 14 HA PHE 14 -4.538 0.914 5.552
106 HB2 PHE 14 HB2 PHE 14 -6.668 0.366 4.542
107 HB3 PHE 14 HB1 PHE 14 -6.860 1.828 5.500
108 HD1 PHE 14 HD1 PHE 14 -7.172 4.001 4.396
109 HD2 PHE 14 HD2 PHE 14 -6.933 0.380 2.179
110 HE1 PHE 14 HE1 PHE 14 -8.123 5.142 2.434
111 HE2 PHE 14 HE2 PHE 14 -7.874 1.508 0.218
112 HZ PHE 14 HZ PHE 14 -8.475 3.895 0.338
113 H CYS 15 HN CYS 15 -4.116 -0.801 4.145
114 HA CYS 15 HA CYS 15 -3.033 0.021 1.539
115 HB2 CYS 15 HB2 CYS 15 -1.910 -2.187 3.257
116 HB3 CYS 15 HB1 CYS 15 -1.203 -1.495 1.806
117 H VAL 16 HN VAL 16 -3.600 -1.183 -0.199
118 HA VAL 16 HA VAL 16 -5.178 -3.628 0.302
119 HB VAL 16 HB VAL 16 -5.426 -1.820 -2.106
120 HG11 VAL 16 HG11 VAL 16 -7.508 -3.057 -2.493
121 HG12 VAL 16 HG12 VAL 16 -7.165 -4.063 -1.086
122 HG13 VAL 16 HG13 VAL 16 -6.102 -4.121 -2.492
123 HG21 VAL 16 HG21 VAL 16 -7.514 -0.993 -1.136
124 HG22 VAL 16 HG22 VAL 16 -6.129 -0.593 -0.118
125 HG23 VAL 16 HG23 VAL 16 -7.199 -1.919 0.332
126 H GLY 17 HN GLY 17 -4.182 -5.427 -0.374
127 HA2 GLY 17 HA2 GLY 17 -2.488 -5.255 -2.774
128 HA3 GLY 17 HA1 GLY 17 -1.874 -6.031 -1.322
129 H ARG 18 HN ARG 18 -2.242 -7.181 -3.948
130 HA ARG 18 HA ARG 18 -4.335 -9.169 -3.357
131 HB2 ARG 18 HB2 ARG 18 -3.201 -8.258 -6.006
132 HB3 ARG 18 HB1 ARG 18 -4.299 -9.619 -5.823
133 HG2 ARG 18 HG2 ARG 18 -6.032 -8.157 -4.988
134 HG3 ARG 18 HG1 ARG 18 -4.929 -6.780 -5.040
135 HD2 ARG 18 HD2 ARG 18 -5.717 -8.409 -7.450
136 HD3 ARG 18 HD1 ARG 18 -6.517 -6.915 -6.966
137 HE ARG 18 HE ARG 18 -4.100 -5.983 -7.166
138 HH11 ARG 18 HH11 ARG 18 -5.553 -8.408 -9.233
139 HH12 ARG 18 HH12 ARG 18 -4.647 -7.939 -10.633
140 HH21 ARG 18 HH21 ARG 18 -2.911 -5.359 -9.004
141 HH22 ARG 18 HH22 ARG 18 -3.129 -6.212 -10.502