Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616889 | 5xiv RC | 36079 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TYR 1 HT1 TYR 1 7.537 2.594 -3.280
2 H2 TYR 1 HT2 TYR 1 7.441 0.905 -3.300
3 H3 TYR 1 HT3 TYR 1 7.795 1.715 -1.857
4 HA TYR 1 HA TYR 1 5.266 1.938 -3.370
5 HB2 TYR 1 HB2 TYR 1 4.341 0.695 -1.290
6 HB3 TYR 1 HB1 TYR 1 5.221 -0.249 -2.474
7 HD1 TYR 1 HD1 TYR 1 7.472 -1.112 -1.944
8 HD2 TYR 1 HD2 TYR 1 5.180 1.011 0.945
9 HE1 TYR 1 HE1 TYR 1 8.956 -1.939 -0.167
10 HE2 TYR 1 HE2 TYR 1 6.659 0.190 2.728
11 HH TYR 1 HH TYR 1 8.195 -1.682 3.129
12 H GLU 2 HN GLU 2 4.218 2.074 -0.402
13 HA GLU 2 HA GLU 2 4.963 4.845 0.211
14 HB2 GLU 2 HB2 GLU 2 2.878 4.701 -1.281
15 HB3 GLU 2 HB1 GLU 2 2.072 3.935 0.073
16 HG2 GLU 2 HG2 GLU 2 1.429 6.215 0.053
17 HG3 GLU 2 HG1 GLU 2 2.523 6.000 1.413
18 H THR 3 HN THR 3 3.733 5.466 2.371
19 HA THR 3 HA THR 3 3.550 3.173 4.181
20 HB THR 3 HB THR 3 4.753 4.691 5.922
21 HG1 THR 3 HG1 THR 3 5.869 5.689 3.484
22 HG21 THR 3 HG21 THR 3 6.287 3.323 3.690
23 HG22 THR 3 HG22 THR 3 5.617 2.535 5.117
24 HG23 THR 3 HG23 THR 3 6.926 3.704 5.288
25 H GLY 4 HN GLY 4 1.830 3.241 5.319
26 HA2 GLY 4 HA2 GLY 4 0.618 4.850 6.960
27 HA3 GLY 4 HA1 GLY 4 0.256 5.717 5.474
28 H CYS 5 HN CYS 5 -0.173 3.544 3.749
29 HA CYS 5 HA CYS 5 -1.848 2.265 2.951
30 HB2 CYS 5 HB2 CYS 5 -1.367 1.178 5.675
31 HB3 CYS 5 HB1 CYS 5 -2.822 0.636 4.847
32 H LYS 6 HN LYS 6 -3.372 3.725 2.380
33 HA LYS 6 HA LYS 6 -5.259 4.790 4.262
34 HB2 LYS 6 HB2 LYS 6 -4.351 5.804 2.010
35 HB3 LYS 6 HB1 LYS 6 -5.695 4.918 1.307
36 HG2 LYS 6 HG2 LYS 6 -7.249 6.127 2.766
37 HG3 LYS 6 HG1 LYS 6 -5.895 7.024 3.454
38 HD2 LYS 6 HD2 LYS 6 -5.392 7.956 1.248
39 HD3 LYS 6 HD1 LYS 6 -6.735 7.046 0.554
40 HE2 LYS 6 HE2 LYS 6 -8.296 8.262 1.999
41 HE3 LYS 6 HE1 LYS 6 -6.951 9.175 2.681
42 HZ1 LYS 6 HZ1 LYS 6 -7.796 9.210 -0.167
43 HZ2 LYS 6 HZ2 LYS 6 -6.507 10.087 0.487
44 HZ3 LYS 6 HZ3 LYS 6 -8.092 10.432 0.966
45 H ARG 7 HN ARG 7 -5.973 3.057 1.265
46 HA ARG 7 HA ARG 7 -8.013 1.483 2.690
47 HB2 ARG 7 HB2 ARG 7 -9.025 3.203 1.226
48 HB3 ARG 7 HB1 ARG 7 -8.157 2.545 -0.152
49 HG2 ARG 7 HG2 ARG 7 -9.488 0.657 -0.258
50 HG3 ARG 7 HG1 ARG 7 -10.017 0.811 1.416
51 HD2 ARG 7 HD2 ARG 7 -11.308 2.817 0.804
52 HD3 ARG 7 HD1 ARG 7 -10.793 2.623 -0.872
53 HE ARG 7 HE ARG 7 -11.969 0.234 -0.168
54 HH11 ARG 7 HH11 ARG 7 -13.029 3.578 -0.352
55 HH12 ARG 7 HH12 ARG 7 -14.674 3.157 -0.694
56 HH21 ARG 7 HH21 ARG 7 -14.127 -0.291 -0.617
57 HH22 ARG 7 HH22 ARG 7 -15.294 0.968 -0.845
58 H CYS 8 HN CYS 8 -7.735 0.695 -0.609
59 HA CYS 8 HA CYS 8 -5.586 -1.216 -0.238
60 HB2 CYS 8 HB2 CYS 8 -7.665 -2.438 0.396
61 HB3 CYS 8 HB1 CYS 8 -8.284 -2.145 -1.227
62 H CYS 9 HN CYS 9 -4.255 -0.832 -1.821
63 HA CYS 9 HA CYS 9 -5.329 -0.259 -4.487
64 HB2 CYS 9 HB2 CYS 9 -3.121 1.036 -2.951
65 HB3 CYS 9 HB1 CYS 9 -3.003 0.965 -4.707
66 H TYR 10 HN TYR 10 -2.487 -1.499 -2.800
67 HA TYR 10 HA TYR 10 -2.222 -3.764 -4.535
68 HB2 TYR 10 HB2 TYR 10 -0.847 -1.320 -5.241
69 HB3 TYR 10 HB1 TYR 10 0.311 -2.595 -4.892
70 HD1 TYR 10 HD1 TYR 10 0.191 -4.740 -6.204
71 HD2 TYR 10 HD2 TYR 10 -2.085 -1.302 -7.256
72 HE1 TYR 10 HE1 TYR 10 -0.152 -5.665 -8.458
73 HE2 TYR 10 HE2 TYR 10 -2.438 -2.219 -9.510
74 HH TYR 10 HH TYR 10 -1.748 -5.441 -10.315
75 H LEU 11 HN LEU 11 -0.026 -4.906 -4.114
76 HA LEU 11 HA LEU 11 0.909 -4.430 -1.369
77 HB2 LEU 11 HB2 LEU 11 0.400 -7.137 -2.611
78 HB3 LEU 11 HB1 LEU 11 0.994 -6.838 -0.990
79 HG LEU 11 HG LEU 11 -1.673 -5.776 -1.851
80 HD11 LEU 11 HD11 LEU 11 -2.700 -7.813 -0.965
81 HD12 LEU 11 HD12 LEU 11 -1.097 -8.533 -0.797
82 HD13 LEU 11 HD13 LEU 11 -1.719 -8.125 -2.397
83 HD21 LEU 11 HD21 LEU 11 -0.703 -4.957 0.243
84 HD22 LEU 11 HD22 LEU 11 -0.573 -6.615 0.829
85 HD23 LEU 11 HD23 LEU 11 -2.160 -5.908 0.529
86 H ASP 12 HN ASP 12 2.942 -3.820 -1.502
87 HA ASP 12 HA ASP 12 4.559 -4.575 -3.788
88 HB2 ASP 12 HB2 ASP 12 4.400 -2.266 -2.562
89 HB3 ASP 12 HB1 ASP 12 5.640 -2.956 -1.521
90 H GLU 13 HN GLU 13 5.559 -4.510 -0.335
91 HA GLU 13 HA GLU 13 6.918 -7.067 -0.804
92 HB2 GLU 13 HB2 GLU 13 8.203 -4.716 -0.409
93 HB3 GLU 13 HB1 GLU 13 8.064 -5.290 1.248
94 HG2 GLU 13 HG2 GLU 13 9.136 -7.391 0.593
95 HG3 GLU 13 HG1 GLU 13 9.310 -6.773 -1.049
96 H TYR 14 HN TYR 14 6.140 -5.018 1.967
97 HA TYR 14 HA TYR 14 5.553 -7.308 3.629
98 HB2 TYR 14 HB2 TYR 14 5.475 -4.333 4.152
99 HB3 TYR 14 HB1 TYR 14 5.028 -5.533 5.360
100 HD1 TYR 14 HD1 TYR 14 7.799 -4.069 3.455
101 HD2 TYR 14 HD2 TYR 14 6.711 -6.910 6.429
102 HE1 TYR 14 HE1 TYR 14 10.158 -4.273 4.114
103 HE2 TYR 14 HE2 TYR 14 9.068 -7.121 7.098
104 HH TYR 14 HH TYR 14 11.469 -4.953 6.081
105 H GLY 15 HN GLY 15 3.823 -5.104 1.658
106 HA2 GLY 15 HA2 GLY 15 1.603 -5.772 0.937
107 HA3 GLY 15 HA1 GLY 15 1.277 -6.268 2.588
108 H CYS 16 HN CYS 16 2.929 -3.276 1.830
109 HA CYS 16 HA CYS 16 0.474 -1.755 2.312
110 HB2 CYS 16 HB2 CYS 16 1.858 -2.051 4.451
111 HB3 CYS 16 HB1 CYS 16 3.044 -0.994 3.692
112 H ILE 17 HN ILE 17 0.201 -0.233 0.915
113 HA ILE 17 HA ILE 17 2.462 1.173 -0.287
114 HB ILE 17 HB ILE 17 1.734 -0.703 -1.798
115 HG12 ILE 17 HG12 ILE 17 1.276 2.041 -2.999
116 HG13 ILE 17 HG11 ILE 17 2.856 1.365 -2.650
117 HG21 ILE 17 HG21 ILE 17 -0.832 0.862 -2.040
118 HG22 ILE 17 HG22 ILE 17 -0.636 -0.760 -1.375
119 HG23 ILE 17 HG23 ILE 17 -0.353 -0.470 -3.092
120 HD11 ILE 17 HD11 ILE 17 2.321 1.131 -5.001
121 HD12 ILE 17 HD12 ILE 17 0.840 0.264 -4.598
122 HD13 ILE 17 HD13 ILE 17 2.408 -0.457 -4.238
123 H ARG 18 HN ARG 18 0.413 2.489 -2.117
124 HA ARG 18 HA ARG 18 -0.148 4.798 -0.651
125 HB2 ARG 18 HB2 ARG 18 0.027 4.416 -3.186
126 HB3 ARG 18 HB1 ARG 18 -1.646 3.892 -3.105
127 HG2 ARG 18 HG2 ARG 18 -2.103 6.174 -2.010
128 HG3 ARG 18 HG1 ARG 18 -0.510 6.626 -2.620
129 HD2 ARG 18 HD2 ARG 18 -2.146 7.319 -4.224
130 HD3 ARG 18 HD1 ARG 18 -1.264 5.950 -4.897
131 HE ARG 18 HE ARG 18 -3.362 4.702 -3.855
132 HH11 ARG 18 HH11 ARG 18 -3.287 7.646 -5.773
133 HH12 ARG 18 HH12 ARG 18 -4.860 7.383 -6.446
134 HH21 ARG 18 HH21 ARG 18 -5.422 4.382 -4.749
135 HH22 ARG 18 HH22 ARG 18 -6.067 5.537 -5.867
136 H CYS 19 HN CYS 19 -1.804 1.814 -0.749
137 HA CYS 19 HA CYS 19 -3.970 2.828 0.878
138 HB2 CYS 19 HB2 CYS 19 -4.734 1.107 -1.460
139 HB3 CYS 19 HB1 CYS 19 -5.754 2.150 -0.480
140 H CYS 20 HN CYS 20 -3.859 -0.241 -0.861
141 HA CYS 20 HA CYS 20 -4.205 -1.839 1.412
142 HB2 CYS 20 HB2 CYS 20 -4.134 -2.312 -1.348
143 HB3 CYS 20 HB1 CYS 20 -2.849 -3.309 -0.684
Start of MODEL 2
1 H1 TYR 1 HT1 TYR 1 7.657 1.013 -2.419
2 H2 TYR 1 HT2 TYR 1 7.689 1.784 -0.915
3 H3 TYR 1 HT3 TYR 1 7.768 2.699 -2.335
4 HA TYR 1 HA TYR 1 5.566 2.079 -2.950
5 HB2 TYR 1 HB2 TYR 1 4.232 0.903 -0.972
6 HB3 TYR 1 HB1 TYR 1 5.088 -0.053 -2.167
7 HD1 TYR 1 HD1 TYR 1 7.271 -1.105 -1.551
8 HD2 TYR 1 HD2 TYR 1 4.860 0.884 1.337
9 HE1 TYR 1 HE1 TYR 1 8.527 -2.207 0.250
10 HE2 TYR 1 HE2 TYR 1 6.112 -0.212 3.143
11 HH TYR 1 HH TYR 1 9.037 -1.846 2.628
12 H GLU 2 HN GLU 2 4.552 2.075 0.292
13 HA GLU 2 HA GLU 2 4.762 4.981 0.583
14 HB2 GLU 2 HB2 GLU 2 2.518 4.017 -0.506
15 HB3 GLU 2 HB1 GLU 2 2.112 3.729 1.179
16 HG2 GLU 2 HG2 GLU 2 1.185 5.806 0.768
17 HG3 GLU 2 HG1 GLU 2 2.724 6.210 1.522
18 H THR 3 HN THR 3 3.175 5.266 2.850
19 HA THR 3 HA THR 3 4.199 3.370 4.831
20 HB THR 3 HB THR 3 4.594 5.471 6.320
21 HG1 THR 3 HG1 THR 3 5.381 6.709 3.929
22 HG21 THR 3 HG21 THR 3 6.953 5.567 5.591
23 HG22 THR 3 HG22 THR 3 6.522 4.729 4.100
24 HG23 THR 3 HG23 THR 3 6.368 3.903 5.651
25 H GLY 4 HN GLY 4 2.039 5.970 4.018
26 HA2 GLY 4 HA2 GLY 4 0.473 6.025 6.367
27 HA3 GLY 4 HA1 GLY 4 -0.010 6.646 4.801
28 H CYS 5 HN CYS 5 -0.229 4.454 3.215
29 HA CYS 5 HA CYS 5 -1.685 2.834 2.587
30 HB2 CYS 5 HB2 CYS 5 -1.355 1.843 5.433
31 HB3 CYS 5 HB1 CYS 5 -1.986 0.907 4.083
32 H LYS 6 HN LYS 6 -3.559 3.784 2.103
33 HA LYS 6 HA LYS 6 -5.384 4.758 4.098
34 HB2 LYS 6 HB2 LYS 6 -4.887 5.641 1.669
35 HB3 LYS 6 HB1 LYS 6 -6.138 4.493 1.218
36 HG2 LYS 6 HG2 LYS 6 -7.709 5.608 2.723
37 HG3 LYS 6 HG1 LYS 6 -6.452 6.758 3.182
38 HD2 LYS 6 HD2 LYS 6 -6.308 7.522 0.859
39 HD3 LYS 6 HD1 LYS 6 -7.568 6.374 0.404
40 HE2 LYS 6 HE2 LYS 6 -9.137 7.505 1.903
41 HE3 LYS 6 HE1 LYS 6 -7.877 8.649 2.359
42 HZ1 LYS 6 HZ1 LYS 6 -9.347 9.575 0.684
43 HZ2 LYS 6 HZ2 LYS 6 -8.990 8.304 -0.373
44 HZ3 LYS 6 HZ3 LYS 6 -7.781 9.403 0.065
45 H ARG 7 HN ARG 7 -6.300 2.742 1.351
46 HA ARG 7 HA ARG 7 -7.773 0.980 3.187
47 HB2 ARG 7 HB2 ARG 7 -9.269 0.558 1.064
48 HB3 ARG 7 HB1 ARG 7 -9.548 1.977 2.056
49 HG2 ARG 7 HG2 ARG 7 -8.256 3.325 0.442
50 HG3 ARG 7 HG1 ARG 7 -8.057 1.891 -0.565
51 HD2 ARG 7 HD2 ARG 7 -10.490 1.717 -0.788
52 HD3 ARG 7 HD1 ARG 7 -10.681 3.157 0.209
53 HE ARG 7 HE ARG 7 -9.024 3.860 -1.897
54 HH11 ARG 7 HH11 ARG 7 -12.342 2.769 -1.527
55 HH12 ARG 7 HH12 ARG 7 -12.894 3.593 -2.946
56 HH21 ARG 7 HH21 ARG 7 -9.768 4.930 -3.753
57 HH22 ARG 7 HH22 ARG 7 -11.437 4.816 -4.204
58 H CYS 8 HN CYS 8 -7.327 0.481 -0.263
59 HA CYS 8 HA CYS 8 -5.039 -1.141 -0.067
60 HB2 CYS 8 HB2 CYS 8 -7.624 -2.543 0.154
61 HB3 CYS 8 HB1 CYS 8 -6.465 -3.236 -0.980
62 H CYS 9 HN CYS 9 -4.010 -0.860 -1.788
63 HA CYS 9 HA CYS 9 -5.438 -0.456 -4.314
64 HB2 CYS 9 HB2 CYS 9 -3.129 0.923 -3.055
65 HB3 CYS 9 HB1 CYS 9 -3.080 0.722 -4.804
66 H TYR 10 HN TYR 10 -2.343 -1.545 -3.021
67 HA TYR 10 HA TYR 10 -2.308 -3.898 -4.693
68 HB2 TYR 10 HB2 TYR 10 -0.929 -1.474 -5.496
69 HB3 TYR 10 HB1 TYR 10 0.202 -2.802 -5.271
70 HD1 TYR 10 HD1 TYR 10 -2.516 -1.474 -7.298
71 HD2 TYR 10 HD2 TYR 10 0.033 -4.822 -6.672
72 HE1 TYR 10 HE1 TYR 10 -3.123 -2.344 -9.517
73 HE2 TYR 10 HE2 TYR 10 -0.566 -5.701 -8.889
74 HH TYR 10 HH TYR 10 -2.191 -3.853 -11.222
75 H LEU 11 HN LEU 11 -0.073 -5.063 -4.392
76 HA LEU 11 HA LEU 11 0.861 -4.650 -1.629
77 HB2 LEU 11 HB2 LEU 11 0.663 -7.297 -3.071
78 HB3 LEU 11 HB1 LEU 11 1.091 -7.042 -1.391
79 HG LEU 11 HG LEU 11 -1.585 -6.149 -2.387
80 HD11 LEU 11 HD11 LEU 11 -0.867 -8.953 -1.567
81 HD12 LEU 11 HD12 LEU 11 -1.391 -8.424 -3.167
82 HD13 LEU 11 HD13 LEU 11 -2.504 -8.340 -1.801
83 HD21 LEU 11 HD21 LEU 11 -0.826 -5.495 -0.142
84 HD22 LEU 11 HD22 LEU 11 -0.649 -7.198 0.281
85 HD23 LEU 11 HD23 LEU 11 -2.244 -6.543 -0.090
86 H ASP 12 HN ASP 12 2.853 -3.911 -1.631
87 HA ASP 12 HA ASP 12 4.589 -4.369 -3.914
88 HB2 ASP 12 HB2 ASP 12 4.223 -2.146 -2.596
89 HB3 ASP 12 HB1 ASP 12 5.424 -2.811 -1.494
90 H GLU 13 HN GLU 13 5.370 -4.500 -0.398
91 HA GLU 13 HA GLU 13 6.986 -6.878 -0.974
92 HB2 GLU 13 HB2 GLU 13 8.013 -4.478 -0.268
93 HB3 GLU 13 HB1 GLU 13 7.799 -5.212 1.315
94 HG2 GLU 13 HG2 GLU 13 9.105 -7.149 0.567
95 HG3 GLU 13 HG1 GLU 13 9.359 -6.354 -0.985
96 H TYR 14 HN TYR 14 5.796 -5.189 1.896
97 HA TYR 14 HA TYR 14 5.275 -7.712 3.238
98 HB2 TYR 14 HB2 TYR 14 5.089 -4.844 4.162
99 HB3 TYR 14 HB1 TYR 14 4.644 -6.214 5.173
100 HD1 TYR 14 HD1 TYR 14 6.345 -7.702 6.071
101 HD2 TYR 14 HD2 TYR 14 7.414 -4.388 3.626
102 HE1 TYR 14 HE1 TYR 14 8.686 -7.934 6.790
103 HE2 TYR 14 HE2 TYR 14 9.758 -4.612 4.336
104 HH TYR 14 HH TYR 14 11.029 -5.549 6.219
105 H GLY 15 HN GLY 15 3.547 -5.317 1.504
106 HA2 GLY 15 HA2 GLY 15 1.352 -6.058 0.662
107 HA3 GLY 15 HA1 GLY 15 0.989 -6.557 2.303
108 H CYS 16 HN CYS 16 2.700 -3.590 1.797
109 HA CYS 16 HA CYS 16 0.226 -2.049 2.169
110 HB2 CYS 16 HB2 CYS 16 2.127 -2.414 4.160
111 HB3 CYS 16 HB1 CYS 16 2.535 -0.842 3.482
112 H ILE 17 HN ILE 17 -0.005 -0.462 0.791
113 HA ILE 17 HA ILE 17 2.319 0.838 -0.392
114 HB ILE 17 HB ILE 17 1.454 -1.030 -1.888
115 HG12 ILE 17 HG12 ILE 17 1.466 1.768 -3.059
116 HG13 ILE 17 HG11 ILE 17 2.892 0.814 -2.694
117 HG21 ILE 17 HG21 ILE 17 -0.931 -0.766 -1.574
118 HG22 ILE 17 HG22 ILE 17 -0.522 -0.580 -3.279
119 HG23 ILE 17 HG23 ILE 17 -0.876 0.842 -2.298
120 HD11 ILE 17 HD11 ILE 17 0.780 0.123 -4.730
121 HD12 ILE 17 HD12 ILE 17 2.215 -0.837 -4.368
122 HD13 ILE 17 HD13 ILE 17 2.385 0.772 -5.070
123 H ARG 18 HN ARG 18 0.488 2.290 -2.251
124 HA ARG 18 HA ARG 18 0.019 4.637 -0.857
125 HB2 ARG 18 HB2 ARG 18 0.198 4.153 -3.376
126 HB3 ARG 18 HB1 ARG 18 -1.515 3.774 -3.301
127 HG2 ARG 18 HG2 ARG 18 -1.770 6.127 -2.267
128 HG3 ARG 18 HG1 ARG 18 -0.153 6.417 -2.910
129 HD2 ARG 18 HD2 ARG 18 -1.759 7.186 -4.518
130 HD3 ARG 18 HD1 ARG 18 -0.986 5.735 -5.152
131 HE ARG 18 HE ARG 18 -3.152 4.672 -4.056
132 HH11 ARG 18 HH11 ARG 18 -2.902 7.558 -6.046
133 HH12 ARG 18 HH12 ARG 18 -4.501 7.392 -6.689
134 HH21 ARG 18 HH21 ARG 18 -5.243 4.479 -4.911
135 HH22 ARG 18 HH22 ARG 18 -5.825 5.650 -6.046
136 H CYS 19 HN CYS 19 -1.845 1.783 -0.775
137 HA CYS 19 HA CYS 19 -3.993 3.125 0.642
138 HB2 CYS 19 HB2 CYS 19 -4.675 1.116 -1.488
139 HB3 CYS 19 HB1 CYS 19 -5.755 2.219 -0.648
140 H CYS 20 HN CYS 20 -2.895 -0.023 -0.529
141 HA CYS 20 HA CYS 20 -4.069 -1.493 1.630
142 HB2 CYS 20 HB2 CYS 20 -3.283 -2.161 -0.879
143 HB3 CYS 20 HB1 CYS 20 -1.928 -2.775 0.052
Start of MODEL 3
1 H1 TYR 1 HT1 TYR 1 7.485 0.927 -2.797
2 H2 TYR 1 HT2 TYR 1 7.713 1.749 -1.337
3 H3 TYR 1 HT3 TYR 1 7.563 2.617 -2.780
4 HA TYR 1 HA TYR 1 5.314 1.933 -3.052
5 HB2 TYR 1 HB2 TYR 1 4.292 0.763 -0.905
6 HB3 TYR 1 HB1 TYR 1 5.053 -0.197 -2.157
7 HD1 TYR 1 HD1 TYR 1 5.220 0.915 1.306
8 HD2 TYR 1 HD2 TYR 1 7.295 -1.180 -1.763
9 HE1 TYR 1 HE1 TYR 1 6.717 -0.061 2.992
10 HE2 TYR 1 HE2 TYR 1 8.796 -2.162 -0.083
11 HH TYR 1 HH TYR 1 9.594 -1.669 2.190
12 H GLU 2 HN GLU 2 4.511 2.017 0.183
13 HA GLU 2 HA GLU 2 4.871 4.909 0.470
14 HB2 GLU 2 HB2 GLU 2 2.565 4.066 -0.574
15 HB3 GLU 2 HB1 GLU 2 2.177 3.771 1.112
16 HG2 GLU 2 HG2 GLU 2 1.319 5.889 0.688
17 HG3 GLU 2 HG1 GLU 2 2.845 6.207 1.510
18 H THR 3 HN THR 3 3.266 5.198 2.776
19 HA THR 3 HA THR 3 4.331 3.293 4.726
20 HB THR 3 HB THR 3 4.729 5.382 6.229
21 HG1 THR 3 HG1 THR 3 5.478 6.656 3.846
22 HG21 THR 3 HG21 THR 3 6.509 3.841 5.523
23 HG22 THR 3 HG22 THR 3 7.077 5.509 5.463
24 HG23 THR 3 HG23 THR 3 6.632 4.675 3.974
25 H GLY 4 HN GLY 4 2.143 5.892 3.967
26 HA2 GLY 4 HA2 GLY 4 0.595 5.860 6.341
27 HA3 GLY 4 HA1 GLY 4 0.108 6.555 4.806
28 H CYS 5 HN CYS 5 -0.127 4.464 3.113
29 HA CYS 5 HA CYS 5 -1.588 2.887 2.400
30 HB2 CYS 5 HB2 CYS 5 -1.120 1.708 5.153
31 HB3 CYS 5 HB1 CYS 5 -1.830 0.855 3.785
32 H LYS 6 HN LYS 6 -3.463 3.865 2.032
33 HA LYS 6 HA LYS 6 -5.270 4.668 4.107
34 HB2 LYS 6 HB2 LYS 6 -4.836 5.679 1.715
35 HB3 LYS 6 HB1 LYS 6 -6.090 4.544 1.240
36 HG2 LYS 6 HG2 LYS 6 -7.627 5.565 2.847
37 HG3 LYS 6 HG1 LYS 6 -6.367 6.705 3.324
38 HD2 LYS 6 HD2 LYS 6 -6.303 7.586 1.041
39 HD3 LYS 6 HD1 LYS 6 -7.560 6.444 0.563
40 HE2 LYS 6 HE2 LYS 6 -9.100 7.474 2.162
41 HE3 LYS 6 HE1 LYS 6 -7.843 8.615 2.638
42 HZ1 LYS 6 HZ1 LYS 6 -7.827 9.482 0.383
43 HZ2 LYS 6 HZ2 LYS 6 -9.375 9.598 1.053
44 HZ3 LYS 6 HZ3 LYS 6 -9.031 8.385 -0.075
45 H ARG 7 HN ARG 7 -6.279 2.815 1.282
46 HA ARG 7 HA ARG 7 -7.715 0.967 3.063
47 HB2 ARG 7 HB2 ARG 7 -9.249 2.424 1.836
48 HB3 ARG 7 HB1 ARG 7 -8.514 1.957 0.311
49 HG2 ARG 7 HG2 ARG 7 -9.472 -0.156 0.347
50 HG3 ARG 7 HG1 ARG 7 -9.765 -0.102 2.085
51 HD2 ARG 7 HD2 ARG 7 -11.151 1.728 0.135
52 HD3 ARG 7 HD1 ARG 7 -11.800 0.153 0.589
53 HE ARG 7 HE ARG 7 -11.241 1.618 2.921
54 HH11 ARG 7 HH11 ARG 7 -13.521 1.657 0.250
55 HH12 ARG 7 HH12 ARG 7 -14.773 2.413 1.179
56 HH21 ARG 7 HH21 ARG 7 -12.893 2.607 4.117
57 HH22 ARG 7 HH22 ARG 7 -14.415 2.950 3.366
58 H CYS 8 HN CYS 8 -7.709 0.315 -0.330
59 HA CYS 8 HA CYS 8 -5.431 -1.473 -0.143
60 HB2 CYS 8 HB2 CYS 8 -7.478 -2.797 0.499
61 HB3 CYS 8 HB1 CYS 8 -8.071 -2.536 -1.141
62 H CYS 9 HN CYS 9 -4.183 -0.954 -1.740
63 HA CYS 9 HA CYS 9 -5.364 -0.330 -4.349
64 HB2 CYS 9 HB2 CYS 9 -3.189 1.011 -2.813
65 HB3 CYS 9 HB1 CYS 9 -3.056 0.966 -4.568
66 H TYR 10 HN TYR 10 -2.422 -1.495 -2.792
67 HA TYR 10 HA TYR 10 -2.149 -3.702 -4.599
68 HB2 TYR 10 HB2 TYR 10 -0.938 -1.228 -5.342
69 HB3 TYR 10 HB1 TYR 10 0.346 -2.348 -4.903
70 HD1 TYR 10 HD1 TYR 10 0.703 -4.386 -6.182
71 HD2 TYR 10 HD2 TYR 10 -2.325 -1.607 -7.266
72 HE1 TYR 10 HE1 TYR 10 0.519 -5.462 -8.391
73 HE2 TYR 10 HE2 TYR 10 -2.523 -2.672 -9.479
74 HH TYR 10 HH TYR 10 -1.155 -4.055 -10.985
75 H LEU 11 HN LEU 11 0.068 -4.808 -4.242
76 HA LEU 11 HA LEU 11 1.000 -4.446 -1.479
77 HB2 LEU 11 HB2 LEU 11 0.502 -7.110 -2.816
78 HB3 LEU 11 HB1 LEU 11 1.088 -6.864 -1.181
79 HG LEU 11 HG LEU 11 -1.276 -5.448 -1.204
80 HD11 LEU 11 HD11 LEU 11 -1.673 -7.984 -2.771
81 HD12 LEU 11 HD12 LEU 11 -1.861 -6.338 -3.379
82 HD13 LEU 11 HD13 LEU 11 -2.949 -6.948 -2.133
83 HD21 LEU 11 HD21 LEU 11 -0.696 -6.735 0.665
84 HD22 LEU 11 HD22 LEU 11 -0.569 -8.216 -0.282
85 HD23 LEU 11 HD23 LEU 11 -2.151 -7.502 0.031
86 H ASP 12 HN ASP 12 2.998 -3.710 -1.698
87 HA ASP 12 HA ASP 12 4.624 -4.505 -3.972
88 HB2 ASP 12 HB2 ASP 12 4.390 -2.136 -2.993
89 HB3 ASP 12 HB1 ASP 12 5.530 -2.677 -1.767
90 H GLU 13 HN GLU 13 5.204 -4.494 -0.414
91 HA GLU 13 HA GLU 13 7.037 -6.745 -0.840
92 HB2 GLU 13 HB2 GLU 13 7.821 -4.296 -0.018
93 HB3 GLU 13 HB1 GLU 13 7.486 -5.053 1.534
94 HG2 GLU 13 HG2 GLU 13 8.988 -6.896 0.932
95 HG3 GLU 13 HG1 GLU 13 9.355 -6.076 -0.585
96 H TYR 14 HN TYR 14 5.781 -5.276 2.105
97 HA TYR 14 HA TYR 14 5.043 -7.886 3.142
98 HB2 TYR 14 HB2 TYR 14 5.059 -5.132 4.381
99 HB3 TYR 14 HB1 TYR 14 4.489 -6.565 5.228
100 HD1 TYR 14 HD1 TYR 14 6.049 -8.275 5.973
101 HD2 TYR 14 HD2 TYR 14 7.424 -4.808 3.926
102 HE1 TYR 14 HE1 TYR 14 8.350 -8.772 6.688
103 HE2 TYR 14 HE2 TYR 14 9.728 -5.296 4.634
104 HH TYR 14 HH TYR 14 10.884 -6.534 6.416
105 H GLY 15 HN GLY 15 3.541 -5.206 1.637
106 HA2 GLY 15 HA2 GLY 15 1.311 -5.678 0.703
107 HA3 GLY 15 HA1 GLY 15 0.878 -6.320 2.280
108 H CYS 16 HN CYS 16 2.730 -3.384 1.673
109 HA CYS 16 HA CYS 16 0.428 -1.751 2.455
110 HB2 CYS 16 HB2 CYS 16 2.269 -2.375 4.326
111 HB3 CYS 16 HB1 CYS 16 3.035 -0.951 3.629
112 H ILE 17 HN ILE 17 0.113 -0.380 0.899
113 HA ILE 17 HA ILE 17 2.349 1.164 -0.200
114 HB ILE 17 HB ILE 17 1.690 -0.754 -1.730
115 HG12 ILE 17 HG12 ILE 17 1.427 2.056 -2.839
116 HG13 ILE 17 HG11 ILE 17 2.933 1.212 -2.535
117 HG21 ILE 17 HG21 ILE 17 -0.327 -0.502 -3.119
118 HG22 ILE 17 HG22 ILE 17 -0.827 0.867 -2.125
119 HG23 ILE 17 HG23 ILE 17 -0.715 -0.744 -1.415
120 HD11 ILE 17 HD11 ILE 17 2.384 1.203 -4.897
121 HD12 ILE 17 HD12 ILE 17 0.838 0.427 -4.552
122 HD13 ILE 17 HD13 ILE 17 2.347 -0.436 -4.250
123 H ARG 18 HN ARG 18 0.444 2.495 -2.085
124 HA ARG 18 HA ARG 18 -0.277 4.768 -0.720
125 HB2 ARG 18 HB2 ARG 18 -1.020 3.494 -3.294
126 HB3 ARG 18 HB1 ARG 18 -2.072 4.784 -2.735
127 HG2 ARG 18 HG2 ARG 18 -0.543 5.862 -4.120
128 HG3 ARG 18 HG1 ARG 18 0.071 6.178 -2.500
129 HD2 ARG 18 HD2 ARG 18 1.893 5.590 -3.994
130 HD3 ARG 18 HD1 ARG 18 1.688 4.343 -2.767
131 HE ARG 18 HE ARG 18 0.348 3.180 -4.642
132 HH11 ARG 18 HH11 ARG 18 3.211 5.143 -5.179
133 HH12 ARG 18 HH12 ARG 18 3.664 4.293 -6.618
134 HH21 ARG 18 HH21 ARG 18 0.959 2.085 -6.530
135 HH22 ARG 18 HH22 ARG 18 2.389 2.563 -7.381
136 H CYS 19 HN CYS 19 -1.894 1.750 -0.774
137 HA CYS 19 HA CYS 19 -4.003 2.735 0.955
138 HB2 CYS 19 HB2 CYS 19 -4.748 0.964 -1.356
139 HB3 CYS 19 HB1 CYS 19 -5.807 1.895 -0.308
140 H CYS 20 HN CYS 20 -3.788 -0.362 -0.726
141 HA CYS 20 HA CYS 20 -4.037 -1.943 1.558
142 HB2 CYS 20 HB2 CYS 20 -3.902 -2.449 -1.200
143 HB3 CYS 20 HB1 CYS 20 -2.578 -3.367 -0.500
Start of MODEL 4
1 H1 TYR 1 HT1 TYR 1 7.598 1.772 -1.588
2 H2 TYR 1 HT2 TYR 1 7.290 2.631 -3.012
3 H3 TYR 1 HT3 TYR 1 7.244 0.939 -3.019
4 HA TYR 1 HA TYR 1 5.039 1.903 -3.059
5 HB2 TYR 1 HB2 TYR 1 4.215 0.688 -0.893
6 HB3 TYR 1 HB1 TYR 1 5.000 -0.259 -2.143
7 HD1 TYR 1 HD1 TYR 1 7.328 -1.063 -1.790
8 HD2 TYR 1 HD2 TYR 1 5.170 0.926 1.288
9 HE1 TYR 1 HE1 TYR 1 8.932 -1.906 -0.130
10 HE2 TYR 1 HE2 TYR 1 6.769 0.091 2.957
11 HH TYR 1 HH TYR 1 9.738 -1.318 2.117
12 H GLU 2 HN GLU 2 4.348 2.001 0.142
13 HA GLU 2 HA GLU 2 4.829 4.873 0.485
14 HB2 GLU 2 HB2 GLU 2 2.492 4.158 -0.568
15 HB3 GLU 2 HB1 GLU 2 2.093 3.816 1.106
16 HG2 GLU 2 HG2 GLU 2 1.305 5.977 0.736
17 HG3 GLU 2 HG1 GLU 2 2.822 6.208 1.599
18 H THR 3 HN THR 3 3.200 5.140 2.812
19 HA THR 3 HA THR 3 4.251 3.173 4.707
20 HB THR 3 HB THR 3 4.682 5.212 6.267
21 HG1 THR 3 HG1 THR 3 5.435 6.556 3.929
22 HG21 THR 3 HG21 THR 3 6.442 3.676 5.499
23 HG22 THR 3 HG22 THR 3 7.025 5.341 5.489
24 HG23 THR 3 HG23 THR 3 6.561 4.560 3.978
25 H GLY 4 HN GLY 4 2.090 5.823 4.043
26 HA2 GLY 4 HA2 GLY 4 0.555 5.724 6.425
27 HA3 GLY 4 HA1 GLY 4 0.071 6.487 4.921
28 H CYS 5 HN CYS 5 -0.172 4.447 3.155
29 HA CYS 5 HA CYS 5 -1.650 2.918 2.380
30 HB2 CYS 5 HB2 CYS 5 -1.295 1.617 5.094
31 HB3 CYS 5 HB1 CYS 5 -1.887 0.832 3.632
32 H LYS 6 HN LYS 6 -3.515 3.927 2.025
33 HA LYS 6 HA LYS 6 -5.319 4.730 4.089
34 HB2 LYS 6 HB2 LYS 6 -4.895 5.713 1.686
35 HB3 LYS 6 HB1 LYS 6 -6.157 4.581 1.230
36 HG2 LYS 6 HG2 LYS 6 -7.680 5.629 2.832
37 HG3 LYS 6 HG1 LYS 6 -6.408 6.763 3.294
38 HD2 LYS 6 HD2 LYS 6 -6.347 7.621 0.999
39 HD3 LYS 6 HD1 LYS 6 -7.619 6.487 0.541
40 HE2 LYS 6 HE2 LYS 6 -9.137 7.550 2.138
41 HE3 LYS 6 HE1 LYS 6 -7.865 8.681 2.597
42 HZ1 LYS 6 HZ1 LYS 6 -7.851 9.525 0.331
43 HZ2 LYS 6 HZ2 LYS 6 -9.393 9.669 1.011
44 HZ3 LYS 6 HZ3 LYS 6 -9.074 8.440 -0.106
45 H ARG 7 HN ARG 7 -6.362 2.846 1.294
46 HA ARG 7 HA ARG 7 -7.790 1.039 3.121
47 HB2 ARG 7 HB2 ARG 7 -9.362 0.697 1.053
48 HB3 ARG 7 HB1 ARG 7 -9.561 2.120 2.058
49 HG2 ARG 7 HG2 ARG 7 -8.288 3.437 0.411
50 HG3 ARG 7 HG1 ARG 7 -8.150 2.003 -0.605
51 HD2 ARG 7 HD2 ARG 7 -10.591 1.888 -0.767
52 HD3 ARG 7 HD1 ARG 7 -10.723 3.329 0.241
53 HE ARG 7 HE ARG 7 -9.100 3.986 -1.914
54 HH11 ARG 7 HH11 ARG 7 -12.444 3.033 -1.422
55 HH12 ARG 7 HH12 ARG 7 -13.013 3.890 -2.816
56 HH21 ARG 7 HH21 ARG 7 -9.867 5.101 -3.733
57 HH22 ARG 7 HH22 ARG 7 -11.554 5.060 -4.122
58 H CYS 8 HN CYS 8 -7.568 0.496 -0.334
59 HA CYS 8 HA CYS 8 -5.348 -1.317 -0.097
60 HB2 CYS 8 HB2 CYS 8 -7.318 -2.704 0.624
61 HB3 CYS 8 HB1 CYS 8 -7.980 -2.491 -0.996
62 H CYS 9 HN CYS 9 -4.140 -0.901 -1.776
63 HA CYS 9 HA CYS 9 -5.412 -0.358 -4.362
64 HB2 CYS 9 HB2 CYS 9 -3.169 1.020 -2.963
65 HB3 CYS 9 HB1 CYS 9 -3.107 0.915 -4.720
66 H TYR 10 HN TYR 10 -2.395 -1.468 -2.908
67 HA TYR 10 HA TYR 10 -2.199 -3.731 -4.682
68 HB2 TYR 10 HB2 TYR 10 -0.856 -1.253 -5.349
69 HB3 TYR 10 HB1 TYR 10 0.312 -2.542 -5.083
70 HD1 TYR 10 HD1 TYR 10 0.287 -4.551 -6.521
71 HD2 TYR 10 HD2 TYR 10 -2.313 -1.263 -7.254
72 HE1 TYR 10 HE1 TYR 10 -0.142 -5.404 -8.787
73 HE2 TYR 10 HE2 TYR 10 -2.751 -2.109 -9.522
74 HH TYR 10 HH TYR 10 -1.875 -5.229 -10.522
75 H LEU 11 HN LEU 11 0.025 -4.872 -4.317
76 HA LEU 11 HA LEU 11 0.924 -4.467 -1.545
77 HB2 LEU 11 HB2 LEU 11 0.539 -7.152 -2.874
78 HB3 LEU 11 HB1 LEU 11 1.015 -6.864 -1.213
79 HG LEU 11 HG LEU 11 -1.616 -5.839 -2.200
80 HD11 LEU 11 HD11 LEU 11 -1.578 -8.155 -2.885
81 HD12 LEU 11 HD12 LEU 11 -2.662 -7.940 -1.510
82 HD13 LEU 11 HD13 LEU 11 -1.063 -8.647 -1.272
83 HD21 LEU 11 HD21 LEU 11 -2.253 -6.142 0.135
84 HD22 LEU 11 HD22 LEU 11 -0.817 -5.128 -0.005
85 HD23 LEU 11 HD23 LEU 11 -0.661 -6.813 0.490
86 H ASP 12 HN ASP 12 2.956 -3.826 -1.604
87 HA ASP 12 HA ASP 12 4.642 -4.507 -3.865
88 HB2 ASP 12 HB2 ASP 12 4.793 -2.560 -1.635
89 HB3 ASP 12 HB1 ASP 12 6.317 -3.087 -2.343
90 H GLU 13 HN GLU 13 5.486 -4.603 -0.366
91 HA GLU 13 HA GLU 13 6.899 -7.123 -0.920
92 HB2 GLU 13 HB2 GLU 13 7.793 -4.807 0.783
93 HB3 GLU 13 HB1 GLU 13 8.510 -6.405 0.918
94 HG2 GLU 13 HG2 GLU 13 8.402 -4.961 -1.706
95 HG3 GLU 13 HG1 GLU 13 9.686 -4.657 -0.538
96 H TYR 14 HN TYR 14 5.878 -5.235 1.885
97 HA TYR 14 HA TYR 14 5.234 -7.658 3.355
98 HB2 TYR 14 HB2 TYR 14 5.222 -4.745 4.160
99 HB3 TYR 14 HB1 TYR 14 4.760 -6.056 5.238
100 HD1 TYR 14 HD1 TYR 14 7.544 -4.406 3.525
101 HD2 TYR 14 HD2 TYR 14 6.434 -7.576 6.137
102 HE1 TYR 14 HE1 TYR 14 9.901 -4.697 4.167
103 HE2 TYR 14 HE2 TYR 14 8.786 -7.875 6.787
104 HH TYR 14 HH TYR 14 11.021 -7.402 5.878
105 H GLY 15 HN GLY 15 3.644 -5.210 1.553
106 HA2 GLY 15 HA2 GLY 15 1.404 -5.734 0.740
107 HA3 GLY 15 HA1 GLY 15 1.028 -6.329 2.347
108 H CYS 16 HN CYS 16 2.819 -3.371 1.750
109 HA CYS 16 HA CYS 16 0.454 -1.779 2.426
110 HB2 CYS 16 HB2 CYS 16 2.310 -2.319 4.330
111 HB3 CYS 16 HB1 CYS 16 2.982 -0.846 3.640
112 H ILE 17 HN ILE 17 0.135 -0.349 0.943
113 HA ILE 17 HA ILE 17 2.349 1.166 -0.213
114 HB ILE 17 HB ILE 17 1.647 -0.745 -1.735
115 HG12 ILE 17 HG12 ILE 17 1.355 2.060 -2.853
116 HG13 ILE 17 HG11 ILE 17 2.874 1.238 -2.551
117 HG21 ILE 17 HG21 ILE 17 -0.747 -0.725 -1.370
118 HG22 ILE 17 HG22 ILE 17 -0.395 -0.476 -3.079
119 HG23 ILE 17 HG23 ILE 17 -0.868 0.890 -2.071
120 HD11 ILE 17 HD11 ILE 17 2.301 1.195 -4.912
121 HD12 ILE 17 HD12 ILE 17 0.774 0.396 -4.541
122 HD13 ILE 17 HD13 ILE 17 2.298 -0.437 -4.243
123 H ARG 18 HN ARG 18 0.460 2.545 -2.038
124 HA ARG 18 HA ARG 18 -0.228 4.785 -0.584
125 HB2 ARG 18 HB2 ARG 18 -0.041 4.386 -3.125
126 HB3 ARG 18 HB1 ARG 18 -1.723 3.889 -3.038
127 HG2 ARG 18 HG2 ARG 18 -2.159 6.170 -1.958
128 HG3 ARG 18 HG1 ARG 18 -0.546 6.604 -2.525
129 HD2 ARG 18 HD2 ARG 18 -2.127 7.336 -4.165
130 HD3 ARG 18 HD1 ARG 18 -1.255 5.955 -4.827
131 HE ARG 18 HE ARG 18 -3.395 4.735 -3.847
132 HH11 ARG 18 HH11 ARG 18 -3.237 7.705 -5.717
133 HH12 ARG 18 HH12 ARG 18 -4.803 7.479 -6.422
134 HH21 ARG 18 HH21 ARG 18 -5.442 4.463 -4.781
135 HH22 ARG 18 HH22 ARG 18 -6.049 5.645 -5.892
136 H CYS 19 HN CYS 19 -1.914 1.798 -0.787
137 HA CYS 19 HA CYS 19 -4.058 2.820 0.873
138 HB2 CYS 19 HB2 CYS 19 -4.810 1.064 -1.431
139 HB3 CYS 19 HB1 CYS 19 -5.835 2.118 -0.468
140 H CYS 20 HN CYS 20 -3.004 -0.135 -0.794
141 HA CYS 20 HA CYS 20 -3.772 -1.737 1.516
142 HB2 CYS 20 HB2 CYS 20 -3.835 -2.274 -1.209
143 HB3 CYS 20 HB1 CYS 20 -2.459 -3.205 -0.640
Start of MODEL 5
1 H1 TYR 1 HT1 TYR 1 7.555 0.956 -2.279
2 H2 TYR 1 HT2 TYR 1 7.562 1.810 -0.820
3 H3 TYR 1 HT3 TYR 1 7.711 2.641 -2.286
4 HA TYR 1 HA TYR 1 5.513 2.048 -2.935
5 HB2 TYR 1 HB2 TYR 1 4.061 1.006 -0.994
6 HB3 TYR 1 HB1 TYR 1 4.995 -0.043 -2.041
7 HD1 TYR 1 HD1 TYR 1 7.208 -0.953 -1.170
8 HD2 TYR 1 HD2 TYR 1 4.411 1.026 1.355
9 HE1 TYR 1 HE1 TYR 1 8.300 -1.930 0.801
10 HE2 TYR 1 HE2 TYR 1 5.501 0.057 3.329
11 HH TYR 1 HH TYR 1 6.907 -1.880 3.889
12 H GLU 2 HN GLU 2 4.560 2.236 0.340
13 HA GLU 2 HA GLU 2 4.727 5.156 0.423
14 HB2 GLU 2 HB2 GLU 2 2.458 4.097 -0.508
15 HB3 GLU 2 HB1 GLU 2 2.124 3.898 1.206
16 HG2 GLU 2 HG2 GLU 2 1.143 5.935 0.693
17 HG3 GLU 2 HG1 GLU 2 2.688 6.398 1.400
18 H THR 3 HN THR 3 3.117 5.448 2.756
19 HA THR 3 HA THR 3 4.391 3.755 4.777
20 HB THR 3 HB THR 3 4.628 5.952 6.156
21 HG1 THR 3 HG1 THR 3 5.208 7.145 3.685
22 HG21 THR 3 HG21 THR 3 6.939 6.240 5.335
23 HG22 THR 3 HG22 THR 3 6.544 5.294 3.900
24 HG23 THR 3 HG23 THR 3 6.523 4.533 5.490
25 H GLY 4 HN GLY 4 1.960 6.090 3.932
26 HA2 GLY 4 HA2 GLY 4 0.484 6.005 6.366
27 HA3 GLY 4 HA1 GLY 4 -0.071 6.671 4.842
28 H CYS 5 HN CYS 5 -0.198 4.525 3.157
29 HA CYS 5 HA CYS 5 -1.595 2.875 2.489
30 HB2 CYS 5 HB2 CYS 5 -1.030 1.791 5.262
31 HB3 CYS 5 HB1 CYS 5 -1.806 0.879 3.971
32 H LYS 6 HN LYS 6 -3.493 3.787 2.104
33 HA LYS 6 HA LYS 6 -5.313 4.635 4.141
34 HB2 LYS 6 HB2 LYS 6 -4.890 5.636 1.793
35 HB3 LYS 6 HB1 LYS 6 -5.995 4.392 1.227
36 HG2 LYS 6 HG2 LYS 6 -7.746 5.281 2.694
37 HG3 LYS 6 HG1 LYS 6 -6.633 6.530 3.257
38 HD2 LYS 6 HD2 LYS 6 -6.457 7.400 0.974
39 HD3 LYS 6 HD1 LYS 6 -7.570 6.149 0.413
40 HE2 LYS 6 HE2 LYS 6 -9.317 7.054 1.869
41 HE3 LYS 6 HE1 LYS 6 -8.204 8.302 2.429
42 HZ1 LYS 6 HZ1 LYS 6 -9.145 7.954 -0.367
43 HZ2 LYS 6 HZ2 LYS 6 -8.079 9.152 0.169
44 HZ3 LYS 6 HZ3 LYS 6 -9.680 9.141 0.715
45 H ARG 7 HN ARG 7 -6.315 2.670 1.393
46 HA ARG 7 HA ARG 7 -7.642 0.816 3.250
47 HB2 ARG 7 HB2 ARG 7 -9.303 0.485 1.236
48 HB3 ARG 7 HB1 ARG 7 -9.506 1.854 2.314
49 HG2 ARG 7 HG2 ARG 7 -8.443 3.320 0.693
50 HG3 ARG 7 HG1 ARG 7 -8.146 1.950 -0.378
51 HD2 ARG 7 HD2 ARG 7 -10.563 1.582 -0.561
52 HD3 ARG 7 HD1 ARG 7 -10.850 2.962 0.498
53 HE ARG 7 HE ARG 7 -9.314 3.910 -1.587
54 HH11 ARG 7 HH11 ARG 7 -12.481 2.426 -1.282
55 HH12 ARG 7 HH12 ARG 7 -13.120 3.234 -2.675
56 HH21 ARG 7 HH21 ARG 7 -10.171 4.956 -3.406
57 HH22 ARG 7 HH22 ARG 7 -11.813 4.664 -3.875
58 H CYS 8 HN CYS 8 -7.502 0.462 -0.242
59 HA CYS 8 HA CYS 8 -5.234 -1.279 -0.181
60 HB2 CYS 8 HB2 CYS 8 -7.215 -2.743 0.538
61 HB3 CYS 8 HB1 CYS 8 -7.758 -2.598 -1.134
62 H CYS 9 HN CYS 9 -4.146 -1.135 -1.959
63 HA CYS 9 HA CYS 9 -5.493 -0.352 -4.440
64 HB2 CYS 9 HB2 CYS 9 -3.267 0.990 -2.997
65 HB3 CYS 9 HB1 CYS 9 -3.166 0.937 -4.754
66 H TYR 10 HN TYR 10 -2.484 -1.516 -3.052
67 HA TYR 10 HA TYR 10 -2.214 -3.659 -4.955
68 HB2 TYR 10 HB2 TYR 10 -0.906 -1.115 -5.426
69 HB3 TYR 10 HB1 TYR 10 0.288 -2.386 -5.195
70 HD1 TYR 10 HD1 TYR 10 -2.347 -1.096 -7.360
71 HD2 TYR 10 HD2 TYR 10 0.419 -4.273 -6.762
72 HE1 TYR 10 HE1 TYR 10 -2.687 -1.821 -9.685
73 HE2 TYR 10 HE2 TYR 10 0.088 -5.007 -9.086
74 HH TYR 10 HH TYR 10 -1.614 -4.820 -10.851
75 H LEU 11 HN LEU 11 0.135 -4.691 -4.581
76 HA LEU 11 HA LEU 11 0.840 -4.486 -1.737
77 HB2 LEU 11 HB2 LEU 11 0.645 -7.070 -3.290
78 HB3 LEU 11 HB1 LEU 11 1.066 -6.899 -1.595
79 HG LEU 11 HG LEU 11 -1.591 -5.923 -2.571
80 HD11 LEU 11 HD11 LEU 11 -0.918 -8.767 -1.855
81 HD12 LEU 11 HD12 LEU 11 -1.418 -8.171 -3.438
82 HD13 LEU 11 HD13 LEU 11 -2.543 -8.122 -2.081
83 HD21 LEU 11 HD21 LEU 11 -0.687 -7.096 0.057
84 HD22 LEU 11 HD22 LEU 11 -2.267 -6.395 -0.295
85 HD23 LEU 11 HD23 LEU 11 -0.829 -5.374 -0.296
86 H ASP 12 HN ASP 12 2.866 -3.866 -1.550
87 HA ASP 12 HA ASP 12 4.683 -4.189 -3.794
88 HB2 ASP 12 HB2 ASP 12 4.317 -2.101 -2.248
89 HB3 ASP 12 HB1 ASP 12 5.513 -2.897 -1.233
90 H GLU 13 HN GLU 13 5.409 -4.590 -0.295
91 HA GLU 13 HA GLU 13 6.900 -7.024 -1.009
92 HB2 GLU 13 HB2 GLU 13 7.677 -4.854 0.930
93 HB3 GLU 13 HB1 GLU 13 8.451 -6.432 0.903
94 HG2 GLU 13 HG2 GLU 13 9.138 -6.037 -1.416
95 HG3 GLU 13 HG1 GLU 13 8.394 -4.441 -1.350
96 H TYR 14 HN TYR 14 5.841 -5.403 1.934
97 HA TYR 14 HA TYR 14 5.229 -7.935 3.204
98 HB2 TYR 14 HB2 TYR 14 5.039 -5.107 4.252
99 HB3 TYR 14 HB1 TYR 14 4.774 -6.557 5.213
100 HD1 TYR 14 HD1 TYR 14 7.278 -4.457 3.559
101 HD2 TYR 14 HD2 TYR 14 6.643 -7.968 5.876
102 HE1 TYR 14 HE1 TYR 14 9.683 -4.552 4.067
103 HE2 TYR 14 HE2 TYR 14 9.045 -8.071 6.391
104 HH TYR 14 HH TYR 14 11.168 -5.496 5.781
105 H GLY 15 HN GLY 15 3.542 -5.316 1.703
106 HA2 GLY 15 HA2 GLY 15 1.287 -6.157 0.872
107 HA3 GLY 15 HA1 GLY 15 0.957 -6.442 2.571
108 H CYS 16 HN CYS 16 2.811 -3.714 2.460
109 HA CYS 16 HA CYS 16 0.430 -2.009 2.593
110 HB2 CYS 16 HB2 CYS 16 2.563 -2.228 4.333
111 HB3 CYS 16 HB1 CYS 16 2.964 -0.787 3.403
112 H ILE 17 HN ILE 17 0.054 -0.535 1.139
113 HA ILE 17 HA ILE 17 2.168 0.456 -0.600
114 HB ILE 17 HB ILE 17 0.555 -1.553 -1.419
115 HG12 ILE 17 HG12 ILE 17 2.581 -0.560 -2.551
116 HG13 ILE 17 HG11 ILE 17 1.359 -1.243 -3.602
117 HG21 ILE 17 HG21 ILE 17 -1.053 -0.565 -3.116
118 HG22 ILE 17 HG22 ILE 17 -0.951 0.918 -2.169
119 HG23 ILE 17 HG23 ILE 17 -1.541 -0.566 -1.421
120 HD11 ILE 17 HD11 ILE 17 2.145 0.751 -4.625
121 HD12 ILE 17 HD12 ILE 17 1.953 1.674 -3.135
122 HD13 ILE 17 HD13 ILE 17 0.530 1.102 -4.006
123 H ARG 18 HN ARG 18 0.480 2.042 -2.253
124 HA ARG 18 HA ARG 18 0.144 4.394 -0.796
125 HB2 ARG 18 HB2 ARG 18 -0.930 3.443 -3.437
126 HB3 ARG 18 HB1 ARG 18 -1.309 5.046 -2.823
127 HG2 ARG 18 HG2 ARG 18 0.992 5.684 -2.859
128 HG3 ARG 18 HG1 ARG 18 1.499 4.031 -3.211
129 HD2 ARG 18 HD2 ARG 18 -0.268 5.646 -5.039
130 HD3 ARG 18 HD1 ARG 18 1.489 5.619 -5.172
131 HE ARG 18 HE ARG 18 0.373 2.989 -5.179
132 HH11 ARG 18 HH11 ARG 18 0.972 5.759 -7.256
133 HH12 ARG 18 HH12 ARG 18 1.001 4.810 -8.705
134 HH21 ARG 18 HH21 ARG 18 0.416 1.769 -7.088
135 HH22 ARG 18 HH22 ARG 18 0.686 2.553 -8.609
136 H CYS 19 HN CYS 19 -1.857 1.681 -0.711
137 HA CYS 19 HA CYS 19 -3.904 3.115 0.738
138 HB2 CYS 19 HB2 CYS 19 -4.804 1.209 -1.401
139 HB3 CYS 19 HB1 CYS 19 -5.764 2.378 -0.505
140 H CYS 20 HN CYS 20 -2.998 -0.062 -0.538
141 HA CYS 20 HA CYS 20 -4.212 -1.482 1.633
142 HB2 CYS 20 HB2 CYS 20 -3.478 -2.218 -0.904
143 HB3 CYS 20 HB1 CYS 20 -2.219 -2.969 0.067
Start of MODEL 6
1 H1 TYR 1 HT1 TYR 1 7.349 2.676 -3.493
2 H2 TYR 1 HT2 TYR 1 7.244 0.993 -3.632
3 H3 TYR 1 HT3 TYR 1 7.721 1.691 -2.169
4 HA TYR 1 HA TYR 1 5.074 2.019 -3.442
5 HB2 TYR 1 HB2 TYR 1 4.300 0.618 -1.427
6 HB3 TYR 1 HB1 TYR 1 5.156 -0.242 -2.691
7 HD1 TYR 1 HD1 TYR 1 5.149 0.753 0.796
8 HD2 TYR 1 HD2 TYR 1 7.506 -0.984 -2.290
9 HE1 TYR 1 HE1 TYR 1 6.707 -0.121 2.484
10 HE2 TYR 1 HE2 TYR 1 9.070 -1.863 -0.610
11 HH TYR 1 HH TYR 1 9.759 -1.376 1.699
12 H GLU 2 HN GLU 2 4.092 2.014 -0.543
13 HA GLU 2 HA GLU 2 5.013 4.654 0.345
14 HB2 GLU 2 HB2 GLU 2 2.940 4.770 -1.182
15 HB3 GLU 2 HB1 GLU 2 2.071 3.963 0.109
16 HG2 GLU 2 HG2 GLU 2 1.579 6.261 0.281
17 HG3 GLU 2 HG1 GLU 2 2.685 5.891 1.598
18 H THR 3 HN THR 3 3.699 5.120 2.547
19 HA THR 3 HA THR 3 3.430 2.653 4.105
20 HB THR 3 HB THR 3 4.623 3.919 6.020
21 HG1 THR 3 HG1 THR 3 5.914 5.203 3.828
22 HG21 THR 3 HG21 THR 3 6.205 2.883 3.649
23 HG22 THR 3 HG22 THR 3 5.524 1.902 4.946
24 HG23 THR 3 HG23 THR 3 6.817 3.050 5.295
25 H GLY 4 HN GLY 4 1.826 2.659 5.473
26 HA2 GLY 4 HA2 GLY 4 0.558 4.035 7.166
27 HA3 GLY 4 HA1 GLY 4 0.304 5.165 5.841
28 H CYS 5 HN CYS 5 -0.129 3.236 3.787
29 HA CYS 5 HA CYS 5 -1.856 2.263 2.712
30 HB2 CYS 5 HB2 CYS 5 -2.867 0.582 4.861
31 HB3 CYS 5 HB1 CYS 5 -2.084 0.120 3.358
32 H LYS 6 HN LYS 6 -3.327 3.823 2.304
33 HA LYS 6 HA LYS 6 -5.138 4.881 4.216
34 HB2 LYS 6 HB2 LYS 6 -4.318 5.808 1.890
35 HB3 LYS 6 HB1 LYS 6 -5.734 4.961 1.286
36 HG2 LYS 6 HG2 LYS 6 -7.158 6.266 2.787
37 HG3 LYS 6 HG1 LYS 6 -5.735 7.115 3.394
38 HD2 LYS 6 HD2 LYS 6 -5.296 7.981 1.146
39 HD3 LYS 6 HD1 LYS 6 -6.719 7.129 0.540
40 HE2 LYS 6 HE2 LYS 6 -8.141 8.447 2.035
41 HE3 LYS 6 HE1 LYS 6 -6.718 9.296 2.639
42 HZ1 LYS 6 HZ1 LYS 6 -6.332 10.157 0.414
43 HZ2 LYS 6 HZ2 LYS 6 -7.873 10.590 0.961
44 HZ3 LYS 6 HZ3 LYS 6 -7.698 9.341 -0.166
45 H ARG 7 HN ARG 7 -6.030 3.082 1.311
46 HA ARG 7 HA ARG 7 -8.004 1.574 2.877
47 HB2 ARG 7 HB2 ARG 7 -9.317 1.437 0.631
48 HB3 ARG 7 HB1 ARG 7 -9.416 2.917 1.564
49 HG2 ARG 7 HG2 ARG 7 -7.533 3.771 0.032
50 HG3 ARG 7 HG1 ARG 7 -7.955 2.406 -1.003
51 HD2 ARG 7 HD2 ARG 7 -10.266 3.202 -1.109
52 HD3 ARG 7 HD1 ARG 7 -9.841 4.571 -0.082
53 HE ARG 7 HE ARG 7 -8.129 4.620 -2.272
54 HH11 ARG 7 HH11 ARG 7 -11.575 4.980 -1.694
55 HH12 ARG 7 HH12 ARG 7 -11.811 6.019 -3.060
56 HH21 ARG 7 HH21 ARG 7 -8.463 5.980 -4.054
57 HH22 ARG 7 HH22 ARG 7 -10.051 6.584 -4.394
58 H CYS 8 HN CYS 8 -7.479 0.884 -0.501
59 HA CYS 8 HA CYS 8 -5.326 -0.915 -0.125
60 HB2 CYS 8 HB2 CYS 8 -8.017 -2.032 0.105
61 HB3 CYS 8 HB1 CYS 8 -7.007 -2.851 -1.086
62 H CYS 9 HN CYS 9 -4.180 -0.691 -1.816
63 HA CYS 9 HA CYS 9 -5.458 -0.385 -4.434
64 HB2 CYS 9 HB2 CYS 9 -3.123 0.988 -3.174
65 HB3 CYS 9 HB1 CYS 9 -3.137 0.779 -4.923
66 H TYR 10 HN TYR 10 -2.406 -1.397 -2.965
67 HA TYR 10 HA TYR 10 -2.312 -3.835 -4.522
68 HB2 TYR 10 HB2 TYR 10 -0.907 -1.437 -5.361
69 HB3 TYR 10 HB1 TYR 10 0.211 -2.760 -5.057
70 HD1 TYR 10 HD1 TYR 10 -2.455 -1.506 -7.205
71 HD2 TYR 10 HD2 TYR 10 0.099 -4.813 -6.406
72 HE1 TYR 10 HE1 TYR 10 -2.993 -2.447 -9.413
73 HE2 TYR 10 HE2 TYR 10 -0.430 -5.763 -8.611
74 HH TYR 10 HH TYR 10 -2.006 -3.998 -11.043
75 H LEU 11 HN LEU 11 -0.096 -4.986 -4.104
76 HA LEU 11 HA LEU 11 0.876 -4.380 -1.395
77 HB2 LEU 11 HB2 LEU 11 0.393 -7.143 -2.520
78 HB3 LEU 11 HB1 LEU 11 0.986 -6.765 -0.913
79 HG LEU 11 HG LEU 11 -1.693 -5.758 -1.800
80 HD11 LEU 11 HD11 LEU 11 -1.104 -8.487 -0.678
81 HD12 LEU 11 HD12 LEU 11 -1.723 -8.123 -2.288
82 HD13 LEU 11 HD13 LEU 11 -2.708 -7.778 -0.867
83 HD21 LEU 11 HD21 LEU 11 -0.686 -4.900 0.276
84 HD22 LEU 11 HD22 LEU 11 -0.607 -6.547 0.901
85 HD23 LEU 11 HD23 LEU 11 -2.172 -5.803 0.571
86 H ASP 12 HN ASP 12 2.911 -3.780 -1.542
87 HA ASP 12 HA ASP 12 4.519 -4.676 -3.798
88 HB2 ASP 12 HB2 ASP 12 4.314 -2.261 -2.809
89 HB3 ASP 12 HB1 ASP 12 5.570 -2.816 -1.707
90 H GLU 13 HN GLU 13 5.478 -4.286 -0.347
91 HA GLU 13 HA GLU 13 6.943 -6.813 -0.605
92 HB2 GLU 13 HB2 GLU 13 8.124 -4.389 -0.371
93 HB3 GLU 13 HB1 GLU 13 7.993 -4.851 1.321
94 HG2 GLU 13 HG2 GLU 13 9.149 -6.952 0.813
95 HG3 GLU 13 HG1 GLU 13 9.327 -6.427 -0.861
96 H TYR 14 HN TYR 14 6.156 -4.634 2.063
97 HA TYR 14 HA TYR 14 5.630 -6.832 3.853
98 HB2 TYR 14 HB2 TYR 14 5.456 -3.836 4.198
99 HB3 TYR 14 HB1 TYR 14 5.067 -4.977 5.481
100 HD1 TYR 14 HD1 TYR 14 6.820 -6.259 6.577
101 HD2 TYR 14 HD2 TYR 14 7.751 -3.502 3.475
102 HE1 TYR 14 HE1 TYR 14 9.192 -6.348 7.219
103 HE2 TYR 14 HE2 TYR 14 10.126 -3.584 4.107
104 HH TYR 14 HH TYR 14 11.391 -5.931 6.203
105 H GLY 15 HN GLY 15 3.796 -5.006 1.664
106 HA2 GLY 15 HA2 GLY 15 1.586 -5.783 1.099
107 HA3 GLY 15 HA1 GLY 15 1.307 -6.094 2.803
108 H CYS 16 HN CYS 16 2.920 -3.155 2.101
109 HA CYS 16 HA CYS 16 0.391 -1.669 2.215
110 HB2 CYS 16 HB2 CYS 16 1.484 -1.686 4.456
111 HB3 CYS 16 HB1 CYS 16 2.884 -0.894 3.739
112 H ILE 17 HN ILE 17 0.179 -0.134 0.814
113 HA ILE 17 HA ILE 17 2.491 1.124 -0.446
114 HB ILE 17 HB ILE 17 1.680 -0.778 -1.882
115 HG12 ILE 17 HG12 ILE 17 1.329 1.938 -3.181
116 HG13 ILE 17 HG11 ILE 17 2.881 1.205 -2.821
117 HG21 ILE 17 HG21 ILE 17 -0.696 -0.701 -1.431
118 HG22 ILE 17 HG22 ILE 17 -0.402 -0.536 -3.162
119 HG23 ILE 17 HG23 ILE 17 -0.818 0.882 -2.200
120 HD11 ILE 17 HD11 ILE 17 0.802 0.106 -4.702
121 HD12 ILE 17 HD12 ILE 17 2.359 -0.639 -4.344
122 HD13 ILE 17 HD13 ILE 17 2.296 0.923 -5.161
123 H ARG 18 HN ARG 18 0.380 2.367 -2.316
124 HA ARG 18 HA ARG 18 -0.049 4.775 -0.920
125 HB2 ARG 18 HB2 ARG 18 0.156 4.290 -3.446
126 HB3 ARG 18 HB1 ARG 18 -1.548 3.870 -3.373
127 HG2 ARG 18 HG2 ARG 18 -1.898 6.202 -2.372
128 HG3 ARG 18 HG1 ARG 18 -0.259 6.547 -2.928
129 HD2 ARG 18 HD2 ARG 18 -1.791 7.292 -4.611
130 HD3 ARG 18 HD1 ARG 18 -0.963 5.860 -5.217
131 HE ARG 18 HE ARG 18 -3.171 4.763 -4.222
132 HH11 ARG 18 HH11 ARG 18 -2.839 7.627 -6.233
133 HH12 ARG 18 HH12 ARG 18 -4.395 7.430 -6.968
134 HH21 ARG 18 HH21 ARG 18 -5.204 4.530 -5.197
135 HH22 ARG 18 HH22 ARG 18 -5.731 5.679 -6.382
136 H CYS 19 HN CYS 19 -1.764 1.833 -0.817
137 HA CYS 19 HA CYS 19 -3.948 3.021 0.647
138 HB2 CYS 19 HB2 CYS 19 -4.745 1.194 -1.587
139 HB3 CYS 19 HB1 CYS 19 -5.728 2.351 -0.704
140 H CYS 20 HN CYS 20 -3.006 -0.046 -0.879
141 HA CYS 20 HA CYS 20 -3.939 -1.546 1.441
142 HB2 CYS 20 HB2 CYS 20 -4.047 -2.152 -1.212
143 HB3 CYS 20 HB1 CYS 20 -2.589 -3.008 -0.745
Start of MODEL 7
1 H1 TYR 1 HT1 TYR 1 7.535 0.920 -2.724
2 H2 TYR 1 HT2 TYR 1 7.732 1.755 -1.265
3 H3 TYR 1 HT3 TYR 1 7.616 2.611 -2.719
4 HA TYR 1 HA TYR 1 5.372 1.929 -3.034
5 HB2 TYR 1 HB2 TYR 1 4.313 0.786 -0.878
6 HB3 TYR 1 HB1 TYR 1 5.059 -0.184 -2.132
7 HD1 TYR 1 HD1 TYR 1 5.230 0.905 1.334
8 HD2 TYR 1 HD2 TYR 1 7.300 -1.186 -1.740
9 HE1 TYR 1 HE1 TYR 1 6.711 -0.095 3.020
10 HE2 TYR 1 HE2 TYR 1 8.787 -2.192 -0.061
11 HH TYR 1 HH TYR 1 9.577 -1.722 2.217
12 H GLU 2 HN GLU 2 4.553 2.034 0.212
13 HA GLU 2 HA GLU 2 4.874 4.935 0.456
14 HB2 GLU 2 HB2 GLU 2 2.575 4.045 -0.569
15 HB3 GLU 2 HB1 GLU 2 2.197 3.774 1.124
16 HG2 GLU 2 HG2 GLU 2 1.312 5.874 0.668
17 HG3 GLU 2 HG1 GLU 2 2.838 6.225 1.475
18 H THR 3 HN THR 3 3.262 5.228 2.761
19 HA THR 3 HA THR 3 4.361 3.368 4.734
20 HB THR 3 HB THR 3 4.725 5.483 6.209
21 HG1 THR 3 HG1 THR 3 5.452 6.739 3.812
22 HG21 THR 3 HG21 THR 3 7.069 5.638 5.443
23 HG22 THR 3 HG22 THR 3 6.638 4.784 3.962
24 HG23 THR 3 HG23 THR 3 6.530 3.961 5.518
25 H GLY 4 HN GLY 4 2.128 5.917 3.943
26 HA2 GLY 4 HA2 GLY 4 0.585 5.881 6.322
27 HA3 GLY 4 HA1 GLY 4 0.091 6.569 4.787
28 H CYS 5 HN CYS 5 -0.133 4.476 3.096
29 HA CYS 5 HA CYS 5 -1.578 2.881 2.390
30 HB2 CYS 5 HB2 CYS 5 -1.099 1.719 5.148
31 HB3 CYS 5 HB1 CYS 5 -1.816 0.856 3.791
32 H LYS 6 HN LYS 6 -3.461 3.854 2.020
33 HA LYS 6 HA LYS 6 -5.271 4.652 4.091
34 HB2 LYS 6 HB2 LYS 6 -4.847 5.653 1.695
35 HB3 LYS 6 HB1 LYS 6 -6.091 4.506 1.224
36 HG2 LYS 6 HG2 LYS 6 -7.638 5.522 2.824
37 HG3 LYS 6 HG1 LYS 6 -6.388 6.674 3.297
38 HD2 LYS 6 HD2 LYS 6 -6.325 7.541 1.005
39 HD3 LYS 6 HD1 LYS 6 -7.578 6.391 0.537
40 HE2 LYS 6 HE2 LYS 6 -7.962 8.428 2.719
41 HE3 LYS 6 HE1 LYS 6 -8.345 8.756 1.030
42 HZ1 LYS 6 HZ1 LYS 6 -9.533 6.593 2.684
43 HZ2 LYS 6 HZ2 LYS 6 -9.903 6.906 1.064
44 HZ3 LYS 6 HZ3 LYS 6 -10.297 8.040 2.255
45 H ARG 7 HN ARG 7 -6.311 2.799 1.283
46 HA ARG 7 HA ARG 7 -7.711 0.940 3.080
47 HB2 ARG 7 HB2 ARG 7 -9.264 2.389 1.868
48 HB3 ARG 7 HB1 ARG 7 -8.543 1.921 0.336
49 HG2 ARG 7 HG2 ARG 7 -9.475 -0.209 0.406
50 HG3 ARG 7 HG1 ARG 7 -9.788 -0.119 2.140
51 HD2 ARG 7 HD2 ARG 7 -11.499 1.592 1.736
52 HD3 ARG 7 HD1 ARG 7 -11.178 1.502 0.005
53 HE ARG 7 HE ARG 7 -11.825 -1.061 0.964
54 HH11 ARG 7 HH11 ARG 7 -13.391 2.020 0.338
55 HH12 ARG 7 HH12 ARG 7 -14.941 1.303 0.052
56 HH21 ARG 7 HH21 ARG 7 -13.863 -1.977 0.584
57 HH22 ARG 7 HH22 ARG 7 -15.208 -0.958 0.191
58 H CYS 8 HN CYS 8 -7.721 0.303 -0.318
59 HA CYS 8 HA CYS 8 -5.446 -1.492 -0.140
60 HB2 CYS 8 HB2 CYS 8 -7.514 -2.807 0.475
61 HB3 CYS 8 HB1 CYS 8 -8.077 -2.538 -1.174
62 H CYS 9 HN CYS 9 -4.186 -0.951 -1.722
63 HA CYS 9 HA CYS 9 -5.351 -0.301 -4.332
64 HB2 CYS 9 HB2 CYS 9 -3.196 1.034 -2.766
65 HB3 CYS 9 HB1 CYS 9 -3.040 1.002 -4.519
66 H TYR 10 HN TYR 10 -2.421 -1.484 -2.767
67 HA TYR 10 HA TYR 10 -2.134 -3.667 -4.596
68 HB2 TYR 10 HB2 TYR 10 -0.927 -1.187 -5.315
69 HB3 TYR 10 HB1 TYR 10 0.361 -2.304 -4.875
70 HD1 TYR 10 HD1 TYR 10 0.733 -4.335 -6.165
71 HD2 TYR 10 HD2 TYR 10 -2.299 -1.559 -7.252
72 HE1 TYR 10 HE1 TYR 10 0.566 -5.399 -8.379
73 HE2 TYR 10 HE2 TYR 10 -2.478 -2.613 -9.471
74 HH TYR 10 HH TYR 10 -1.075 -5.617 -10.198
75 H LEU 11 HN LEU 11 0.075 -4.780 -4.243
76 HA LEU 11 HA LEU 11 1.006 -4.443 -1.477
77 HB2 LEU 11 HB2 LEU 11 0.501 -7.097 -2.833
78 HB3 LEU 11 HB1 LEU 11 1.085 -6.864 -1.197
79 HG LEU 11 HG LEU 11 -1.274 -5.442 -1.209
80 HD11 LEU 11 HD11 LEU 11 -1.857 -6.303 -3.396
81 HD12 LEU 11 HD12 LEU 11 -2.952 -6.923 -2.160
82 HD13 LEU 11 HD13 LEU 11 -1.677 -7.956 -2.809
83 HD21 LEU 11 HD21 LEU 11 -0.583 -8.225 -0.320
84 HD22 LEU 11 HD22 LEU 11 -2.160 -7.505 0.000
85 HD23 LEU 11 HD23 LEU 11 -0.703 -6.755 0.645
86 H ASP 12 HN ASP 12 3.008 -3.713 -1.691
87 HA ASP 12 HA ASP 12 4.631 -4.501 -3.970
88 HB2 ASP 12 HB2 ASP 12 4.407 -2.136 -2.974
89 HB3 ASP 12 HB1 ASP 12 5.545 -2.690 -1.753
90 H GLU 13 HN GLU 13 5.207 -4.513 -0.412
91 HA GLU 13 HA GLU 13 7.030 -6.771 -0.850
92 HB2 GLU 13 HB2 GLU 13 7.825 -4.330 -0.012
93 HB3 GLU 13 HB1 GLU 13 7.484 -5.095 1.535
94 HG2 GLU 13 HG2 GLU 13 8.978 -6.940 0.926
95 HG3 GLU 13 HG1 GLU 13 9.350 -6.115 -0.587
96 H TYR 14 HN TYR 14 5.758 -5.305 2.091
97 HA TYR 14 HA TYR 14 5.015 -7.918 3.119
98 HB2 TYR 14 HB2 TYR 14 5.035 -5.169 4.370
99 HB3 TYR 14 HB1 TYR 14 4.460 -6.605 5.209
100 HD1 TYR 14 HD1 TYR 14 7.402 -4.848 3.919
101 HD2 TYR 14 HD2 TYR 14 6.017 -8.319 5.951
102 HE1 TYR 14 HE1 TYR 14 9.702 -5.341 4.632
103 HE2 TYR 14 HE2 TYR 14 8.315 -8.822 6.670
104 HH TYR 14 HH TYR 14 10.852 -6.587 6.413
105 H GLY 15 HN GLY 15 3.526 -5.211 1.640
106 HA2 GLY 15 HA2 GLY 15 1.297 -5.674 0.691
107 HA3 GLY 15 HA1 GLY 15 0.858 -6.323 2.263
108 H CYS 16 HN CYS 16 2.717 -3.388 1.656
109 HA CYS 16 HA CYS 16 0.425 -1.749 2.451
110 HB2 CYS 16 HB2 CYS 16 2.255 -2.387 4.322
111 HB3 CYS 16 HB1 CYS 16 3.040 -0.974 3.626
112 H ILE 17 HN ILE 17 0.116 -0.380 0.888
113 HA ILE 17 HA ILE 17 2.360 1.164 -0.193
114 HB ILE 17 HB ILE 17 1.718 -0.748 -1.734
115 HG12 ILE 17 HG12 ILE 17 1.533 2.099 -2.764
116 HG13 ILE 17 HG11 ILE 17 2.991 1.152 -2.551
117 HG21 ILE 17 HG21 ILE 17 -0.802 0.867 -2.141
118 HG22 ILE 17 HG22 ILE 17 -0.688 -0.747 -1.440
119 HG23 ILE 17 HG23 ILE 17 -0.289 -0.494 -3.139
120 HD11 ILE 17 HD11 ILE 17 2.275 -0.361 -4.332
121 HD12 ILE 17 HD12 ILE 17 2.369 1.309 -4.894
122 HD13 ILE 17 HD13 ILE 17 0.800 0.585 -4.537
123 H ARG 18 HN ARG 18 0.401 2.441 -2.103
124 HA ARG 18 HA ARG 18 -0.288 4.748 -0.766
125 HB2 ARG 18 HB2 ARG 18 -1.260 3.420 -3.271
126 HB3 ARG 18 HB1 ARG 18 -2.008 4.917 -2.730
127 HG2 ARG 18 HG2 ARG 18 0.051 6.104 -2.925
128 HG3 ARG 18 HG1 ARG 18 0.950 4.609 -3.192
129 HD2 ARG 18 HD2 ARG 18 -1.213 5.616 -5.034
130 HD3 ARG 18 HD1 ARG 18 0.500 5.970 -5.254
131 HE ARG 18 HE ARG 18 -0.151 3.158 -5.049
132 HH11 ARG 18 HH11 ARG 18 0.327 5.853 -7.251
133 HH12 ARG 18 HH12 ARG 18 0.645 4.831 -8.614
134 HH21 ARG 18 HH21 ARG 18 0.271 1.842 -6.845
135 HH22 ARG 18 HH22 ARG 18 0.613 2.563 -8.382
136 H CYS 19 HN CYS 19 -1.911 1.730 -0.770
137 HA CYS 19 HA CYS 19 -3.994 2.729 0.978
138 HB2 CYS 19 HB2 CYS 19 -4.778 0.968 -1.329
139 HB3 CYS 19 HB1 CYS 19 -5.821 1.895 -0.262
140 H CYS 20 HN CYS 20 -3.814 -0.370 -0.706
141 HA CYS 20 HA CYS 20 -4.059 -1.954 1.574
142 HB2 CYS 20 HB2 CYS 20 -3.913 -2.457 -1.187
143 HB3 CYS 20 HB1 CYS 20 -2.596 -3.379 -0.479
Start of MODEL 8
1 H1 TYR 1 HT1 TYR 1 7.738 1.774 -0.801
2 H2 TYR 1 HT2 TYR 1 7.873 2.674 -2.228
3 H3 TYR 1 HT3 TYR 1 7.755 0.988 -2.300
4 HA TYR 1 HA TYR 1 5.689 2.060 -2.912
5 HB2 TYR 1 HB2 TYR 1 4.290 0.916 -0.948
6 HB3 TYR 1 HB1 TYR 1 5.148 -0.053 -2.132
7 HD1 TYR 1 HD1 TYR 1 4.894 0.895 1.370
8 HD2 TYR 1 HD2 TYR 1 7.298 -1.145 -1.488
9 HE1 TYR 1 HE1 TYR 1 6.106 -0.219 3.192
10 HE2 TYR 1 HE2 TYR 1 8.514 -2.267 0.330
11 HH TYR 1 HH TYR 1 9.005 -1.912 2.712
12 H GLU 2 HN GLU 2 4.617 2.087 0.321
13 HA GLU 2 HA GLU 2 4.791 5.000 0.567
14 HB2 GLU 2 HB2 GLU 2 2.572 3.997 -0.534
15 HB3 GLU 2 HB1 GLU 2 2.148 3.721 1.148
16 HG2 GLU 2 HG2 GLU 2 1.194 5.780 0.658
17 HG3 GLU 2 HG1 GLU 2 2.684 6.203 1.496
18 H THR 3 HN THR 3 3.181 5.304 2.816
19 HA THR 3 HA THR 3 4.208 3.447 4.833
20 HB THR 3 HB THR 3 4.570 5.573 6.294
21 HG1 THR 3 HG1 THR 3 5.361 6.783 3.890
22 HG21 THR 3 HG21 THR 3 6.933 5.681 5.581
23 HG22 THR 3 HG22 THR 3 6.523 4.818 4.099
24 HG23 THR 3 HG23 THR 3 6.364 4.013 5.660
25 H GLY 4 HN GLY 4 2.028 6.013 3.965
26 HA2 GLY 4 HA2 GLY 4 0.448 6.096 6.302
27 HA3 GLY 4 HA1 GLY 4 -0.036 6.677 4.721
28 H CYS 5 HN CYS 5 -0.235 4.454 3.179
29 HA CYS 5 HA CYS 5 -1.672 2.809 2.583
30 HB2 CYS 5 HB2 CYS 5 -1.314 1.876 5.446
31 HB3 CYS 5 HB1 CYS 5 -1.966 0.910 4.127
32 H LYS 6 HN LYS 6 -3.551 3.740 2.085
33 HA LYS 6 HA LYS 6 -5.390 4.740 4.045
34 HB2 LYS 6 HB2 LYS 6 -4.909 5.551 1.594
35 HB3 LYS 6 HB1 LYS 6 -6.129 4.361 1.173
36 HG2 LYS 6 HG2 LYS 6 -7.737 5.489 2.635
37 HG3 LYS 6 HG1 LYS 6 -6.507 6.684 3.057
38 HD2 LYS 6 HD2 LYS 6 -6.372 7.371 0.711
39 HD3 LYS 6 HD1 LYS 6 -7.599 6.175 0.289
40 HE2 LYS 6 HE2 LYS 6 -9.205 7.316 1.741
41 HE3 LYS 6 HE1 LYS 6 -7.978 8.510 2.163
42 HZ1 LYS 6 HZ1 LYS 6 -9.068 8.037 -0.560
43 HZ2 LYS 6 HZ2 LYS 6 -7.890 9.183 -0.157
44 HZ3 LYS 6 HZ3 LYS 6 -9.461 9.338 0.449
45 H ARG 7 HN ARG 7 -6.327 2.640 1.374
46 HA ARG 7 HA ARG 7 -7.706 0.881 3.281
47 HB2 ARG 7 HB2 ARG 7 -9.316 0.451 1.244
48 HB3 ARG 7 HB1 ARG 7 -9.550 1.867 2.255
49 HG2 ARG 7 HG2 ARG 7 -8.379 3.237 0.580
50 HG3 ARG 7 HG1 ARG 7 -8.186 1.811 -0.437
51 HD2 ARG 7 HD2 ARG 7 -10.869 2.802 0.496
52 HD3 ARG 7 HD1 ARG 7 -10.119 3.350 -1.002
53 HE ARG 7 HE ARG 7 -10.107 0.587 -1.096
54 HH11 ARG 7 HH11 ARG 7 -12.563 3.091 -0.922
55 HH12 ARG 7 HH12 ARG 7 -13.751 2.143 -1.755
56 HH21 ARG 7 HH21 ARG 7 -11.676 -0.633 -2.184
57 HH22 ARG 7 HH22 ARG 7 -13.246 0.037 -2.468
58 H CYS 8 HN CYS 8 -7.371 0.451 -0.200
59 HA CYS 8 HA CYS 8 -5.129 -1.278 -0.029
60 HB2 CYS 8 HB2 CYS 8 -7.038 -2.768 0.779
61 HB3 CYS 8 HB1 CYS 8 -7.637 -2.704 -0.879
62 H CYS 9 HN CYS 9 -4.020 -0.940 -1.745
63 HA CYS 9 HA CYS 9 -5.396 -0.370 -4.272
64 HB2 CYS 9 HB2 CYS 9 -3.153 1.001 -2.911
65 HB3 CYS 9 HB1 CYS 9 -2.997 0.807 -4.653
66 H TYR 10 HN TYR 10 -2.363 -1.552 -2.928
67 HA TYR 10 HA TYR 10 -2.271 -3.807 -4.713
68 HB2 TYR 10 HB2 TYR 10 -0.975 -1.356 -5.455
69 HB3 TYR 10 HB1 TYR 10 0.247 -2.583 -5.145
70 HD1 TYR 10 HD1 TYR 10 -2.503 -1.551 -7.312
71 HD2 TYR 10 HD2 TYR 10 0.375 -4.586 -6.540
72 HE1 TYR 10 HE1 TYR 10 -2.913 -2.499 -9.545
73 HE2 TYR 10 HE2 TYR 10 -0.025 -5.544 -8.771
74 HH TYR 10 HH TYR 10 -1.799 -5.566 -10.473
75 H LEU 11 HN LEU 11 0.009 -4.935 -4.434
76 HA LEU 11 HA LEU 11 0.896 -4.631 -1.645
77 HB2 LEU 11 HB2 LEU 11 0.677 -7.246 -3.138
78 HB3 LEU 11 HB1 LEU 11 1.084 -7.027 -1.447
79 HG LEU 11 HG LEU 11 -1.566 -6.080 -2.460
80 HD11 LEU 11 HD11 LEU 11 -0.900 -8.912 -1.696
81 HD12 LEU 11 HD12 LEU 11 -1.390 -8.341 -3.291
82 HD13 LEU 11 HD13 LEU 11 -2.524 -8.270 -1.942
83 HD21 LEU 11 HD21 LEU 11 -0.849 -5.484 -0.194
84 HD22 LEU 11 HD22 LEU 11 -0.667 -7.194 0.193
85 HD23 LEU 11 HD23 LEU 11 -2.261 -6.541 -0.179
86 H ASP 12 HN ASP 12 2.890 -3.898 -1.638
87 HA ASP 12 HA ASP 12 4.636 -4.359 -3.914
88 HB2 ASP 12 HB2 ASP 12 4.280 -2.137 -2.600
89 HB3 ASP 12 HB1 ASP 12 5.457 -2.814 -1.480
90 H GLU 13 HN GLU 13 5.365 -4.527 -0.388
91 HA GLU 13 HA GLU 13 6.989 -6.899 -0.964
92 HB2 GLU 13 HB2 GLU 13 8.004 -4.510 -0.207
93 HB3 GLU 13 HB1 GLU 13 7.757 -5.263 1.363
94 HG2 GLU 13 HG2 GLU 13 9.076 -7.193 0.619
95 HG3 GLU 13 HG1 GLU 13 9.363 -6.379 -0.918
96 H TYR 14 HN TYR 14 5.744 -5.247 1.904
97 HA TYR 14 HA TYR 14 5.184 -7.790 3.193
98 HB2 TYR 14 HB2 TYR 14 5.020 -4.937 4.166
99 HB3 TYR 14 HB1 TYR 14 4.534 -6.317 5.145
100 HD1 TYR 14 HD1 TYR 14 7.362 -4.510 3.682
101 HD2 TYR 14 HD2 TYR 14 6.194 -7.849 6.046
102 HE1 TYR 14 HE1 TYR 14 9.689 -4.785 4.433
103 HE2 TYR 14 HE2 TYR 14 8.517 -8.132 6.805
104 HH TYR 14 HH TYR 14 10.784 -7.560 6.047
105 H GLY 15 HN GLY 15 3.505 -5.309 1.516
106 HA2 GLY 15 HA2 GLY 15 1.317 -6.026 0.612
107 HA3 GLY 15 HA1 GLY 15 0.922 -6.540 2.243
108 H CYS 16 HN CYS 16 2.686 -3.595 1.821
109 HA CYS 16 HA CYS 16 0.227 -2.024 2.182
110 HB2 CYS 16 HB2 CYS 16 2.117 -2.432 4.172
111 HB3 CYS 16 HB1 CYS 16 2.553 -0.863 3.506
112 H ILE 17 HN ILE 17 0.012 -0.460 0.772
113 HA ILE 17 HA ILE 17 2.355 0.844 -0.366
114 HB ILE 17 HB ILE 17 1.561 -1.026 -1.877
115 HG12 ILE 17 HG12 ILE 17 1.668 1.822 -2.911
116 HG13 ILE 17 HG11 ILE 17 3.008 0.710 -2.716
117 HG21 ILE 17 HG21 ILE 17 -0.407 -0.627 -3.302
118 HG22 ILE 17 HG22 ILE 17 -0.811 0.789 -2.332
119 HG23 ILE 17 HG23 ILE 17 -0.838 -0.815 -1.602
120 HD11 ILE 17 HD11 ILE 17 2.119 -0.686 -4.514
121 HD12 ILE 17 HD12 ILE 17 2.401 0.969 -5.053
122 HD13 ILE 17 HD13 ILE 17 0.761 0.423 -4.702
123 H ARG 18 HN ARG 18 0.418 2.174 -2.298
124 HA ARG 18 HA ARG 18 -0.012 4.590 -0.993
125 HB2 ARG 18 HB2 ARG 18 -0.931 3.322 -3.532
126 HB3 ARG 18 HB1 ARG 18 -1.659 4.845 -3.041
127 HG2 ARG 18 HG2 ARG 18 0.435 5.967 -3.123
128 HG3 ARG 18 HG1 ARG 18 1.312 4.445 -3.286
129 HD2 ARG 18 HD2 ARG 18 -0.676 5.452 -5.315
130 HD3 ARG 18 HD1 ARG 18 1.054 5.777 -5.405
131 HE ARG 18 HE ARG 18 0.380 2.979 -5.182
132 HH11 ARG 18 HH11 ARG 18 0.939 5.616 -7.436
133 HH12 ARG 18 HH12 ARG 18 1.320 4.559 -8.754
134 HH21 ARG 18 HH21 ARG 18 0.883 1.617 -6.923
135 HH22 ARG 18 HH22 ARG 18 1.288 2.298 -8.464
136 H CYS 19 HN CYS 19 -1.878 1.742 -0.776
137 HA CYS 19 HA CYS 19 -3.976 3.135 0.655
138 HB2 CYS 19 HB2 CYS 19 -4.743 1.149 -1.470
139 HB3 CYS 19 HB1 CYS 19 -5.797 2.227 -0.568
140 H CYS 20 HN CYS 20 -2.906 -0.041 -0.487
141 HA CYS 20 HA CYS 20 -4.080 -1.417 1.750
142 HB2 CYS 20 HB2 CYS 20 -3.362 -2.226 -0.774
143 HB3 CYS 20 HB1 CYS 20 -2.067 -2.901 0.206
Start of MODEL 9
1 H1 TYR 1 HT1 TYR 1 7.676 1.829 -1.085
2 H2 TYR 1 HT2 TYR 1 7.762 2.878 -2.409
3 H3 TYR 1 HT3 TYR 1 7.609 1.213 -2.660
4 HA TYR 1 HA TYR 1 5.538 2.375 -3.050
5 HB2 TYR 1 HB2 TYR 1 4.159 1.035 -1.271
6 HB3 TYR 1 HB1 TYR 1 5.096 0.145 -2.459
7 HD1 TYR 1 HD1 TYR 1 7.408 -0.734 -1.702
8 HD2 TYR 1 HD2 TYR 1 4.444 0.655 1.021
9 HE1 TYR 1 HE1 TYR 1 8.513 -1.960 0.119
10 HE2 TYR 1 HE2 TYR 1 5.547 -0.562 2.847
11 HH TYR 1 HH TYR 1 7.054 -2.486 3.131
12 H GLU 2 HN GLU 2 4.485 2.060 0.130
13 HA GLU 2 HA GLU 2 4.809 4.895 0.779
14 HB2 GLU 2 HB2 GLU 2 2.564 4.167 -0.475
15 HB3 GLU 2 HB1 GLU 2 2.093 3.698 1.152
16 HG2 GLU 2 HG2 GLU 2 1.268 5.852 0.961
17 HG3 GLU 2 HG1 GLU 2 2.793 6.090 1.810
18 H THR 3 HN THR 3 3.219 5.000 3.039
19 HA THR 3 HA THR 3 4.077 2.805 4.779
20 HB THR 3 HB THR 3 4.585 4.676 6.521
21 HG1 THR 3 HG1 THR 3 5.490 6.134 4.299
22 HG21 THR 3 HG21 THR 3 6.260 3.083 5.687
23 HG22 THR 3 HG22 THR 3 6.958 4.696 5.830
24 HG23 THR 3 HG23 THR 3 6.498 4.072 4.246
25 H GLY 4 HN GLY 4 2.107 5.621 4.270
26 HA2 GLY 4 HA2 GLY 4 0.528 5.541 6.599
27 HA3 GLY 4 HA1 GLY 4 0.088 6.326 5.095
28 H CYS 5 HN CYS 5 -0.211 4.221 3.338
29 HA CYS 5 HA CYS 5 -1.754 2.742 2.585
30 HB2 CYS 5 HB2 CYS 5 -2.106 1.421 5.235
31 HB3 CYS 5 HB1 CYS 5 -1.849 0.704 3.649
32 H LYS 6 HN LYS 6 -3.544 3.850 2.090
33 HA LYS 6 HA LYS 6 -5.333 4.900 4.076
34 HB2 LYS 6 HB2 LYS 6 -4.698 5.854 1.725
35 HB3 LYS 6 HB1 LYS 6 -5.994 4.810 1.161
36 HG2 LYS 6 HG2 LYS 6 -7.565 5.953 2.648
37 HG3 LYS 6 HG1 LYS 6 -6.262 6.998 3.218
38 HD2 LYS 6 HD2 LYS 6 -5.962 7.859 0.944
39 HD3 LYS 6 HD1 LYS 6 -7.267 6.814 0.378
40 HE2 LYS 6 HE2 LYS 6 -8.834 7.969 1.860
41 HE3 LYS 6 HE1 LYS 6 -7.530 9.011 2.428
42 HZ1 LYS 6 HZ1 LYS 6 -8.533 8.863 -0.364
43 HZ2 LYS 6 HZ2 LYS 6 -7.281 9.863 0.178
44 HZ3 LYS 6 HZ3 LYS 6 -8.859 10.105 0.738
45 H ARG 7 HN ARG 7 -6.276 3.004 1.246
46 HA ARG 7 HA ARG 7 -7.996 1.369 2.982
47 HB2 ARG 7 HB2 ARG 7 -9.485 1.178 0.829
48 HB3 ARG 7 HB1 ARG 7 -9.614 2.604 1.843
49 HG2 ARG 7 HG2 ARG 7 -8.157 3.829 0.285
50 HG3 ARG 7 HG1 ARG 7 -8.063 2.397 -0.738
51 HD2 ARG 7 HD2 ARG 7 -9.714 3.760 -1.716
52 HD3 ARG 7 HD1 ARG 7 -10.594 2.493 -0.865
53 HE ARG 7 HE ARG 7 -10.395 4.578 0.919
54 HH11 ARG 7 HH11 ARG 7 -11.797 4.163 -2.274
55 HH12 ARG 7 HH12 ARG 7 -13.027 5.355 -2.014
56 HH21 ARG 7 HH21 ARG 7 -12.012 6.135 1.236
57 HH22 ARG 7 HH22 ARG 7 -13.148 6.469 -0.029
58 H CYS 8 HN CYS 8 -7.664 0.836 -0.460
59 HA CYS 8 HA CYS 8 -5.594 -1.129 -0.191
60 HB2 CYS 8 HB2 CYS 8 -7.615 -2.417 0.517
61 HB3 CYS 8 HB1 CYS 8 -8.308 -2.121 -1.077
62 H CYS 9 HN CYS 9 -4.362 -0.893 -1.876
63 HA CYS 9 HA CYS 9 -5.565 -0.210 -4.463
64 HB2 CYS 9 HB2 CYS 9 -3.188 0.922 -3.051
65 HB3 CYS 9 HB1 CYS 9 -3.179 0.867 -4.811
66 H TYR 10 HN TYR 10 -2.641 -1.531 -3.011
67 HA TYR 10 HA TYR 10 -2.571 -3.867 -4.661
68 HB2 TYR 10 HB2 TYR 10 -1.101 -1.453 -5.507
69 HB3 TYR 10 HB1 TYR 10 -0.095 -2.891 -5.404
70 HD1 TYR 10 HD1 TYR 10 -2.450 -1.083 -7.380
71 HD2 TYR 10 HD2 TYR 10 -0.871 -4.977 -6.702
72 HE1 TYR 10 HE1 TYR 10 -3.252 -1.789 -9.594
73 HE2 TYR 10 HE2 TYR 10 -1.671 -5.693 -8.914
74 HH TYR 10 HH TYR 10 -3.383 -5.040 -10.553
75 H LEU 11 HN LEU 11 -0.166 -4.915 -4.368
76 HA LEU 11 HA LEU 11 0.768 -4.338 -1.643
77 HB2 LEU 11 HB2 LEU 11 0.459 -7.084 -2.861
78 HB3 LEU 11 HB1 LEU 11 1.071 -6.729 -1.258
79 HG LEU 11 HG LEU 11 -1.704 -5.909 -2.051
80 HD11 LEU 11 HD11 LEU 11 -0.863 -8.584 -0.965
81 HD12 LEU 11 HD12 LEU 11 -1.541 -8.267 -2.562
82 HD13 LEU 11 HD13 LEU 11 -2.523 -8.013 -1.118
83 HD21 LEU 11 HD21 LEU 11 -2.096 -6.095 0.363
84 HD22 LEU 11 HD22 LEU 11 -0.796 -4.960 -0.004
85 HD23 LEU 11 HD23 LEU 11 -0.413 -6.575 0.594
86 H ASP 12 HN ASP 12 2.860 -3.907 -1.541
87 HA ASP 12 HA ASP 12 4.500 -4.396 -3.894
88 HB2 ASP 12 HB2 ASP 12 4.295 -2.155 -2.568
89 HB3 ASP 12 HB1 ASP 12 5.470 -2.894 -1.485
90 H GLU 13 HN GLU 13 5.602 -4.431 -0.483
91 HA GLU 13 HA GLU 13 6.837 -7.030 -1.029
92 HB2 GLU 13 HB2 GLU 13 8.216 -4.719 -0.720
93 HB3 GLU 13 HB1 GLU 13 8.197 -5.321 0.932
94 HG2 GLU 13 HG2 GLU 13 9.135 -7.445 0.143
95 HG3 GLU 13 HG1 GLU 13 9.207 -6.785 -1.490
96 H TYR 14 HN TYR 14 6.214 -4.955 1.772
97 HA TYR 14 HA TYR 14 5.886 -7.233 3.503
98 HB2 TYR 14 HB2 TYR 14 5.794 -4.267 3.982
99 HB3 TYR 14 HB1 TYR 14 5.420 -5.432 5.248
100 HD1 TYR 14 HD1 TYR 14 7.162 -6.795 6.239
101 HD2 TYR 14 HD2 TYR 14 8.069 -4.029 3.135
102 HE1 TYR 14 HE1 TYR 14 9.557 -7.004 6.759
103 HE2 TYR 14 HE2 TYR 14 10.465 -4.232 3.646
104 HH TYR 14 HH TYR 14 11.895 -4.872 5.542
105 H GLY 15 HN GLY 15 3.785 -4.730 2.202
106 HA2 GLY 15 HA2 GLY 15 1.497 -6.147 1.929
107 HA3 GLY 15 HA1 GLY 15 1.477 -5.723 3.630
108 H CYS 16 HN CYS 16 2.965 -3.122 2.600
109 HA CYS 16 HA CYS 16 0.453 -1.708 2.037
110 HB2 CYS 16 HB2 CYS 16 1.786 -1.044 4.074
111 HB3 CYS 16 HB1 CYS 16 3.047 -0.480 2.983
112 H ILE 17 HN ILE 17 0.449 0.010 0.494
113 HA ILE 17 HA ILE 17 2.593 -0.021 -1.477
114 HB ILE 17 HB ILE 17 0.677 -1.650 -2.023
115 HG12 ILE 17 HG12 ILE 17 2.472 -0.900 -3.604
116 HG13 ILE 17 HG11 ILE 17 0.981 -1.427 -4.352
117 HG21 ILE 17 HG21 ILE 17 -1.196 -0.638 -3.339
118 HG22 ILE 17 HG22 ILE 17 -0.740 0.920 -2.651
119 HG23 ILE 17 HG23 ILE 17 -1.263 -0.392 -1.595
120 HD11 ILE 17 HD11 ILE 17 1.905 0.510 -5.500
121 HD12 ILE 17 HD12 ILE 17 1.852 1.440 -4.003
122 HD13 ILE 17 HD13 ILE 17 0.353 0.905 -4.762
123 H ARG 18 HN ARG 18 -0.473 1.386 -0.589
124 HA ARG 18 HA ARG 18 0.288 4.061 -0.297
125 HB2 ARG 18 HB2 ARG 18 0.465 3.691 -2.893
126 HB3 ARG 18 HB1 ARG 18 -1.289 3.691 -2.849
127 HG2 ARG 18 HG2 ARG 18 0.166 5.978 -1.606
128 HG3 ARG 18 HG1 ARG 18 0.067 5.886 -3.364
129 HD2 ARG 18 HD2 ARG 18 -2.276 5.871 -1.457
130 HD3 ARG 18 HD1 ARG 18 -1.740 7.248 -2.417
131 HE ARG 18 HE ARG 18 -2.639 4.756 -3.710
132 HH11 ARG 18 HH11 ARG 18 -2.968 8.228 -3.273
133 HH12 ARG 18 HH12 ARG 18 -4.092 8.401 -4.579
134 HH21 ARG 18 HH21 ARG 18 -4.107 5.009 -5.417
135 HH22 ARG 18 HH22 ARG 18 -4.736 6.580 -5.791
136 H CYS 19 HN CYS 19 -1.867 1.513 -0.637
137 HA CYS 19 HA CYS 19 -3.941 2.830 0.901
138 HB2 CYS 19 HB2 CYS 19 -4.747 1.147 -1.445
139 HB3 CYS 19 HB1 CYS 19 -5.710 2.315 -0.550
140 H CYS 20 HN CYS 20 -3.121 -0.191 -0.750
141 HA CYS 20 HA CYS 20 -4.180 -1.764 1.450
142 HB2 CYS 20 HB2 CYS 20 -4.121 -2.230 -1.273
143 HB3 CYS 20 HB1 CYS 20 -2.832 -3.261 -0.674
Start of MODEL 10
1 H1 TYR 1 HT1 TYR 1 7.693 1.790 -0.877
2 H2 TYR 1 HT2 TYR 1 7.794 2.700 -2.298
3 H3 TYR 1 HT3 TYR 1 7.678 1.014 -2.382
4 HA TYR 1 HA TYR 1 5.596 2.085 -2.939
5 HB2 TYR 1 HB2 TYR 1 4.237 0.920 -0.968
6 HB3 TYR 1 HB1 TYR 1 5.095 -0.042 -2.158
7 HD1 TYR 1 HD1 TYR 1 7.270 -1.104 -1.531
8 HD2 TYR 1 HD2 TYR 1 4.848 0.891 1.345
9 HE1 TYR 1 HE1 TYR 1 8.509 -2.214 0.278
10 HE2 TYR 1 HE2 TYR 1 6.083 -0.213 3.157
11 HH TYR 1 HH TYR 1 7.441 -2.238 3.493
12 H GLU 2 HN GLU 2 4.573 2.091 0.307
13 HA GLU 2 HA GLU 2 4.764 5.000 0.577
14 HB2 GLU 2 HB2 GLU 2 2.526 4.015 -0.503
15 HB3 GLU 2 HB1 GLU 2 2.123 3.734 1.184
16 HG2 GLU 2 HG2 GLU 2 1.183 5.803 0.767
17 HG3 GLU 2 HG1 GLU 2 2.723 6.224 1.510
18 H THR 3 HN THR 3 3.173 5.289 2.842
19 HA THR 3 HA THR 3 4.213 3.417 4.838
20 HB THR 3 HB THR 3 4.590 5.534 6.310
21 HG1 THR 3 HG1 THR 3 5.364 6.756 3.906
22 HG21 THR 3 HG21 THR 3 6.377 3.979 5.659
23 HG22 THR 3 HG22 THR 3 6.948 5.645 5.576
24 HG23 THR 3 HG23 THR 3 6.524 4.784 4.097
25 H GLY 4 HN GLY 4 2.032 5.994 4.003
26 HA2 GLY 4 HA2 GLY 4 0.464 6.050 6.353
27 HA3 GLY 4 HA1 GLY 4 -0.022 6.662 4.784
28 H CYS 5 HN CYS 5 -0.231 4.466 3.205
29 HA CYS 5 HA CYS 5 -1.678 2.837 2.581
30 HB2 CYS 5 HB2 CYS 5 -1.334 1.856 5.430
31 HB3 CYS 5 HB1 CYS 5 -1.977 0.914 4.089
32 H LYS 6 HN LYS 6 -3.558 3.779 2.097
33 HA LYS 6 HA LYS 6 -5.385 4.744 4.095
34 HB2 LYS 6 HB2 LYS 6 -4.899 5.633 1.667
35 HB3 LYS 6 HB1 LYS 6 -6.144 4.477 1.218
36 HG2 LYS 6 HG2 LYS 6 -7.718 5.579 2.733
37 HG3 LYS 6 HG1 LYS 6 -6.466 6.741 3.183
38 HD2 LYS 6 HD2 LYS 6 -6.344 7.505 0.860
39 HD3 LYS 6 HD1 LYS 6 -7.594 6.342 0.411
40 HE2 LYS 6 HE2 LYS 6 -9.168 7.455 1.919
41 HE3 LYS 6 HE1 LYS 6 -7.918 8.617 2.367
42 HZ1 LYS 6 HZ1 LYS 6 -9.408 9.523 0.700
43 HZ2 LYS 6 HZ2 LYS 6 -9.045 8.255 -0.358
44 HZ3 LYS 6 HZ3 LYS 6 -7.845 9.367 0.070
45 H ARG 7 HN ARG 7 -6.314 2.734 1.350
46 HA ARG 7 HA ARG 7 -7.770 0.965 3.192
47 HB2 ARG 7 HB2 ARG 7 -9.273 0.536 1.075
48 HB3 ARG 7 HB1 ARG 7 -9.552 1.956 2.065
49 HG2 ARG 7 HG2 ARG 7 -8.285 3.312 0.448
50 HG3 ARG 7 HG1 ARG 7 -8.056 1.879 -0.553
51 HD2 ARG 7 HD2 ARG 7 -10.481 1.663 -0.796
52 HD3 ARG 7 HD1 ARG 7 -10.708 3.099 0.202
53 HE ARG 7 HE ARG 7 -9.046 3.828 -1.898
54 HH11 ARG 7 HH11 ARG 7 -12.356 2.709 -1.530
55 HH12 ARG 7 HH12 ARG 7 -12.913 3.533 -2.947
56 HH21 ARG 7 HH21 ARG 7 -9.798 4.898 -3.748
57 HH22 ARG 7 HH22 ARG 7 -11.466 4.772 -4.201
58 H CYS 8 HN CYS 8 -7.324 0.470 -0.259
59 HA CYS 8 HA CYS 8 -5.036 -1.151 -0.065
60 HB2 CYS 8 HB2 CYS 8 -7.620 -2.556 0.153
61 HB3 CYS 8 HB1 CYS 8 -6.458 -3.246 -0.980
62 H CYS 9 HN CYS 9 -4.007 -0.863 -1.784
63 HA CYS 9 HA CYS 9 -5.436 -0.456 -4.309
64 HB2 CYS 9 HB2 CYS 9 -3.129 0.925 -3.046
65 HB3 CYS 9 HB1 CYS 9 -3.077 0.726 -4.794
66 H TYR 10 HN TYR 10 -2.339 -1.542 -3.017
67 HA TYR 10 HA TYR 10 -2.297 -3.890 -4.695
68 HB2 TYR 10 HB2 TYR 10 -0.924 -1.462 -5.490
69 HB3 TYR 10 HB1 TYR 10 0.212 -2.786 -5.263
70 HD1 TYR 10 HD1 TYR 10 0.069 -4.797 -6.670
71 HD2 TYR 10 HD2 TYR 10 -2.516 -1.476 -7.292
72 HE1 TYR 10 HE1 TYR 10 -0.516 -5.678 -8.890
73 HE2 TYR 10 HE2 TYR 10 -3.111 -2.349 -9.514
74 HH TYR 10 HH TYR 10 -2.165 -3.841 -11.220
75 H LEU 11 HN LEU 11 -0.067 -5.055 -4.392
76 HA LEU 11 HA LEU 11 0.864 -4.648 -1.628
77 HB2 LEU 11 HB2 LEU 11 0.665 -7.293 -3.069
78 HB3 LEU 11 HB1 LEU 11 1.088 -7.040 -1.388
79 HG LEU 11 HG LEU 11 -1.583 -6.144 -2.396
80 HD11 LEU 11 HD11 LEU 11 -0.878 -8.946 -1.561
81 HD12 LEU 11 HD12 LEU 11 -1.385 -8.424 -3.167
82 HD13 LEU 11 HD13 LEU 11 -2.510 -8.330 -1.813
83 HD21 LEU 11 HD21 LEU 11 -2.254 -6.530 -0.102
84 HD22 LEU 11 HD22 LEU 11 -0.834 -5.486 -0.149
85 HD23 LEU 11 HD23 LEU 11 -0.663 -7.189 0.278
86 H ASP 12 HN ASP 12 2.856 -3.909 -1.629
87 HA ASP 12 HA ASP 12 4.594 -4.363 -3.910
88 HB2 ASP 12 HB2 ASP 12 4.236 -2.150 -2.570
89 HB3 ASP 12 HB1 ASP 12 5.441 -2.828 -1.481
90 H GLU 13 HN GLU 13 5.374 -4.521 -0.395
91 HA GLU 13 HA GLU 13 6.979 -6.902 -0.985
92 HB2 GLU 13 HB2 GLU 13 8.019 -4.515 -0.267
93 HB3 GLU 13 HB1 GLU 13 7.794 -5.251 1.315
94 HG2 GLU 13 HG2 GLU 13 9.089 -7.197 0.562
95 HG3 GLU 13 HG1 GLU 13 9.359 -6.390 -0.982
96 H TYR 14 HN TYR 14 5.781 -5.224 1.888
97 HA TYR 14 HA TYR 14 5.252 -7.752 3.217
98 HB2 TYR 14 HB2 TYR 14 5.073 -4.887 4.148
99 HB3 TYR 14 HB1 TYR 14 4.606 -6.254 5.153
100 HD1 TYR 14 HD1 TYR 14 7.410 -4.456 3.632
101 HD2 TYR 14 HD2 TYR 14 6.282 -7.757 6.067
102 HE1 TYR 14 HE1 TYR 14 9.744 -4.704 4.366
103 HE2 TYR 14 HE2 TYR 14 8.612 -8.013 6.810
104 HH TYR 14 HH TYR 14 10.985 -5.653 6.267
105 H GLY 15 HN GLY 15 3.532 -5.303 1.534
106 HA2 GLY 15 HA2 GLY 15 1.342 -6.050 0.658
107 HA3 GLY 15 HA1 GLY 15 0.968 -6.555 2.296
108 H CYS 16 HN CYS 16 2.693 -3.591 1.783
109 HA CYS 16 HA CYS 16 0.225 -2.043 2.166
110 HB2 CYS 16 HB2 CYS 16 2.129 -2.415 4.152
111 HB3 CYS 16 HB1 CYS 16 2.543 -0.845 3.472
112 H ILE 17 HN ILE 17 -0.005 -0.456 0.787
113 HA ILE 17 HA ILE 17 2.321 0.842 -0.393
114 HB ILE 17 HB ILE 17 1.461 -1.022 -1.898
115 HG12 ILE 17 HG12 ILE 17 1.473 1.783 -3.050
116 HG13 ILE 17 HG11 ILE 17 2.896 0.822 -2.698
117 HG21 ILE 17 HG21 ILE 17 -0.927 -0.763 -1.584
118 HG22 ILE 17 HG22 ILE 17 -0.516 -0.570 -3.288
119 HG23 ILE 17 HG23 ILE 17 -0.874 0.848 -2.303
120 HD11 ILE 17 HD11 ILE 17 2.212 -0.812 -4.386
121 HD12 ILE 17 HD12 ILE 17 2.382 0.805 -5.072
122 HD13 ILE 17 HD13 ILE 17 0.778 0.155 -4.734
123 H ARG 18 HN ARG 18 0.467 2.291 -2.253
124 HA ARG 18 HA ARG 18 0.012 4.636 -0.845
125 HB2 ARG 18 HB2 ARG 18 0.171 4.142 -3.374
126 HB3 ARG 18 HB1 ARG 18 -1.550 3.809 -3.280
127 HG2 ARG 18 HG2 ARG 18 -1.668 6.180 -2.185
128 HG3 ARG 18 HG1 ARG 18 -0.104 6.406 -2.971
129 HD2 ARG 18 HD2 ARG 18 -1.799 7.218 -4.451
130 HD3 ARG 18 HD1 ARG 18 -1.165 5.717 -5.121
131 HE ARG 18 HE ARG 18 -3.248 4.736 -3.891
132 HH11 ARG 18 HH11 ARG 18 -3.128 7.779 -5.645
133 HH12 ARG 18 HH12 ARG 18 -4.808 7.733 -6.066
134 HH21 ARG 18 HH21 ARG 18 -5.445 4.702 -4.453
135 HH22 ARG 18 HH22 ARG 18 -6.117 5.993 -5.392
136 H CYS 19 HN CYS 19 -1.851 1.781 -0.772
137 HA CYS 19 HA CYS 19 -3.999 3.120 0.652
138 HB2 CYS 19 HB2 CYS 19 -4.676 1.111 -1.481
139 HB3 CYS 19 HB1 CYS 19 -5.760 2.208 -0.638
140 H CYS 20 HN CYS 20 -2.897 -0.027 -0.520
141 HA CYS 20 HA CYS 20 -4.069 -1.501 1.637
142 HB2 CYS 20 HB2 CYS 20 -3.277 -2.166 -0.871
143 HB3 CYS 20 HB1 CYS 20 -1.923 -2.778 0.063
Start of MODEL 11
1 H1 TYR 1 HT1 TYR 1 7.647 2.692 -2.691
2 H2 TYR 1 HT2 TYR 1 7.563 1.003 -2.719
3 H3 TYR 1 HT3 TYR 1 7.747 1.816 -1.247
4 HA TYR 1 HA TYR 1 5.405 2.019 -3.038
5 HB2 TYR 1 HB2 TYR 1 4.301 0.839 -0.947
6 HB3 TYR 1 HB1 TYR 1 5.127 -0.120 -2.160
7 HD1 TYR 1 HD1 TYR 1 5.142 1.012 1.309
8 HD2 TYR 1 HD2 TYR 1 7.338 -1.109 -1.655
9 HE1 TYR 1 HE1 TYR 1 6.569 0.051 3.061
10 HE2 TYR 1 HE2 TYR 1 8.769 -2.078 0.092
11 HH TYR 1 HH TYR 1 9.473 -1.566 2.390
12 H GLU 2 HN GLU 2 4.548 2.085 0.193
13 HA GLU 2 HA GLU 2 4.877 4.980 0.490
14 HB2 GLU 2 HB2 GLU 2 2.588 4.119 -0.572
15 HB3 GLU 2 HB1 GLU 2 2.192 3.803 1.109
16 HG2 GLU 2 HG2 GLU 2 1.309 5.914 0.697
17 HG3 GLU 2 HG1 GLU 2 2.825 6.245 1.531
18 H THR 3 HN THR 3 3.259 5.243 2.792
19 HA THR 3 HA THR 3 4.335 3.336 4.736
20 HB THR 3 HB THR 3 4.710 5.420 6.252
21 HG1 THR 3 HG1 THR 3 5.453 6.715 3.881
22 HG21 THR 3 HG21 THR 3 6.506 3.898 5.539
23 HG22 THR 3 HG22 THR 3 7.058 5.572 5.494
24 HG23 THR 3 HG23 THR 3 6.625 4.747 3.997
25 H GLY 4 HN GLY 4 2.125 5.917 3.984
26 HA2 GLY 4 HA2 GLY 4 0.576 5.862 6.355
27 HA3 GLY 4 HA1 GLY 4 0.085 6.560 4.823
28 H CYS 5 HN CYS 5 -0.144 4.479 3.121
29 HA CYS 5 HA CYS 5 -1.596 2.892 2.403
30 HB2 CYS 5 HB2 CYS 5 -1.152 1.696 5.153
31 HB3 CYS 5 HB1 CYS 5 -1.811 0.849 3.757
32 H LYS 6 HN LYS 6 -3.477 3.881 2.046
33 HA LYS 6 HA LYS 6 -5.281 4.643 4.143
34 HB2 LYS 6 HB2 LYS 6 -4.846 5.719 1.782
35 HB3 LYS 6 HB1 LYS 6 -6.099 4.599 1.273
36 HG2 LYS 6 HG2 LYS 6 -7.637 5.575 2.907
37 HG3 LYS 6 HG1 LYS 6 -6.377 6.700 3.417
38 HD2 LYS 6 HD2 LYS 6 -6.309 7.643 1.156
39 HD3 LYS 6 HD1 LYS 6 -7.568 6.517 0.648
40 HE2 LYS 6 HE2 LYS 6 -8.668 8.558 1.078
41 HE3 LYS 6 HE1 LYS 6 -9.016 7.524 2.463
42 HZ1 LYS 6 HZ1 LYS 6 -6.946 9.655 2.371
43 HZ2 LYS 6 HZ2 LYS 6 -7.279 8.665 3.701
44 HZ3 LYS 6 HZ3 LYS 6 -8.442 9.764 3.155
45 H ARG 7 HN ARG 7 -6.310 2.877 1.271
46 HA ARG 7 HA ARG 7 -7.779 1.013 3.006
47 HB2 ARG 7 HB2 ARG 7 -9.259 2.492 1.734
48 HB3 ARG 7 HB1 ARG 7 -8.492 2.003 0.232
49 HG2 ARG 7 HG2 ARG 7 -9.475 -0.099 0.262
50 HG3 ARG 7 HG1 ARG 7 -9.822 -0.018 1.990
51 HD2 ARG 7 HD2 ARG 7 -11.494 1.731 1.564
52 HD3 ARG 7 HD1 ARG 7 -11.144 1.638 -0.162
53 HE ARG 7 HE ARG 7 -11.839 -0.919 0.720
54 HH11 ARG 7 HH11 ARG 7 -13.387 2.204 0.290
55 HH12 ARG 7 HH12 ARG 7 -14.954 1.518 0.019
56 HH21 ARG 7 HH21 ARG 7 -13.899 -1.795 0.363
57 HH22 ARG 7 HH22 ARG 7 -15.242 -0.744 0.061
58 H CYS 8 HN CYS 8 -7.718 0.334 -0.372
59 HA CYS 8 HA CYS 8 -5.439 -1.448 -0.149
60 HB2 CYS 8 HB2 CYS 8 -7.473 -2.776 0.499
61 HB3 CYS 8 HB1 CYS 8 -8.080 -2.519 -1.136
62 H CYS 9 HN CYS 9 -4.183 -0.971 -1.756
63 HA CYS 9 HA CYS 9 -5.361 -0.348 -4.366
64 HB2 CYS 9 HB2 CYS 9 -3.162 0.961 -2.841
65 HB3 CYS 9 HB1 CYS 9 -3.024 0.904 -4.596
66 H TYR 10 HN TYR 10 -2.423 -1.555 -2.836
67 HA TYR 10 HA TYR 10 -2.210 -3.793 -4.618
68 HB2 TYR 10 HB2 TYR 10 -0.865 -1.331 -5.310
69 HB3 TYR 10 HB1 TYR 10 0.310 -2.604 -5.006
70 HD1 TYR 10 HD1 TYR 10 -2.230 -1.344 -7.264
71 HD2 TYR 10 HD2 TYR 10 0.257 -4.681 -6.379
72 HE1 TYR 10 HE1 TYR 10 -2.626 -2.232 -9.523
73 HE2 TYR 10 HE2 TYR 10 -0.133 -5.579 -8.635
74 HH TYR 10 HH TYR 10 -1.540 -3.752 -11.122
75 H LEU 11 HN LEU 11 -0.012 -4.944 -4.254
76 HA LEU 11 HA LEU 11 0.891 -4.565 -1.479
77 HB2 LEU 11 HB2 LEU 11 0.584 -7.228 -2.871
78 HB3 LEU 11 HB1 LEU 11 1.014 -6.959 -1.192
79 HG LEU 11 HG LEU 11 -1.619 -5.982 -2.228
80 HD11 LEU 11 HD11 LEU 11 -2.627 -8.120 -1.594
81 HD12 LEU 11 HD12 LEU 11 -1.016 -8.790 -1.330
82 HD13 LEU 11 HD13 LEU 11 -1.508 -8.285 -2.947
83 HD21 LEU 11 HD21 LEU 11 -0.687 -6.960 0.470
84 HD22 LEU 11 HD22 LEU 11 -2.302 -6.357 0.092
85 HD23 LEU 11 HD23 LEU 11 -0.911 -5.277 -0.009
86 H ASP 12 HN ASP 12 2.873 -3.797 -1.594
87 HA ASP 12 HA ASP 12 4.576 -4.368 -3.860
88 HB2 ASP 12 HB2 ASP 12 4.303 -2.152 -2.493
89 HB3 ASP 12 HB1 ASP 12 5.541 -2.864 -1.462
90 H GLU 13 HN GLU 13 5.401 -4.561 -0.359
91 HA GLU 13 HA GLU 13 6.940 -6.978 -0.983
92 HB2 GLU 13 HB2 GLU 13 8.047 -4.621 -0.256
93 HB3 GLU 13 HB1 GLU 13 7.820 -5.365 1.322
94 HG2 GLU 13 HG2 GLU 13 9.059 -7.333 0.545
95 HG3 GLU 13 HG1 GLU 13 9.329 -6.530 -1.002
96 H TYR 14 HN TYR 14 5.746 -5.263 1.866
97 HA TYR 14 HA TYR 14 5.128 -7.793 3.175
98 HB2 TYR 14 HB2 TYR 14 5.155 -4.945 4.177
99 HB3 TYR 14 HB1 TYR 14 4.617 -6.305 5.157
100 HD1 TYR 14 HD1 TYR 14 6.211 -7.935 6.003
101 HD2 TYR 14 HD2 TYR 14 7.505 -4.649 3.632
102 HE1 TYR 14 HE1 TYR 14 8.532 -8.357 6.696
103 HE2 TYR 14 HE2 TYR 14 9.830 -5.062 4.318
104 HH TYR 14 HH TYR 14 10.808 -7.909 5.882
105 H GLY 15 HN GLY 15 3.569 -5.181 1.576
106 HA2 GLY 15 HA2 GLY 15 1.327 -5.690 0.696
107 HA3 GLY 15 HA1 GLY 15 0.933 -6.313 2.290
108 H CYS 16 HN CYS 16 2.768 -3.376 1.719
109 HA CYS 16 HA CYS 16 0.442 -1.751 2.458
110 HB2 CYS 16 HB2 CYS 16 2.311 -2.346 4.323
111 HB3 CYS 16 HB1 CYS 16 3.032 -0.902 3.620
112 H ILE 17 HN ILE 17 0.123 -0.316 0.965
113 HA ILE 17 HA ILE 17 2.356 1.155 -0.214
114 HB ILE 17 HB ILE 17 1.639 -0.758 -1.717
115 HG12 ILE 17 HG12 ILE 17 1.308 2.009 -2.909
116 HG13 ILE 17 HG11 ILE 17 2.848 1.252 -2.547
117 HG21 ILE 17 HG21 ILE 17 -0.406 -0.509 -3.056
118 HG22 ILE 17 HG22 ILE 17 -0.878 0.869 -2.061
119 HG23 ILE 17 HG23 ILE 17 -0.751 -0.736 -1.341
120 HD11 ILE 17 HD11 ILE 17 0.811 0.259 -4.534
121 HD12 ILE 17 HD12 ILE 17 2.357 -0.512 -4.176
122 HD13 ILE 17 HD13 ILE 17 2.319 1.090 -4.914
123 H ARG 18 HN ARG 18 0.397 2.502 -2.058
124 HA ARG 18 HA ARG 18 -0.253 4.778 -0.624
125 HB2 ARG 18 HB2 ARG 18 -0.125 4.357 -3.158
126 HB3 ARG 18 HB1 ARG 18 -1.788 3.808 -3.029
127 HG2 ARG 18 HG2 ARG 18 -2.273 6.093 -1.975
128 HG3 ARG 18 HG1 ARG 18 -0.689 6.567 -2.588
129 HD2 ARG 18 HD2 ARG 18 -2.339 7.217 -4.198
130 HD3 ARG 18 HD1 ARG 18 -1.427 5.861 -4.860
131 HE ARG 18 HE ARG 18 -3.503 4.582 -3.803
132 HH11 ARG 18 HH11 ARG 18 -3.476 7.498 -5.765
133 HH12 ARG 18 HH12 ARG 18 -5.041 7.194 -6.441
134 HH21 ARG 18 HH21 ARG 18 -5.551 4.208 -4.701
135 HH22 ARG 18 HH22 ARG 18 -6.214 5.333 -5.839
136 H CYS 19 HN CYS 19 -1.899 1.779 -0.783
137 HA CYS 19 HA CYS 19 -4.024 2.742 0.947
138 HB2 CYS 19 HB2 CYS 19 -4.744 0.965 -1.364
139 HB3 CYS 19 HB1 CYS 19 -5.804 1.938 -0.356
140 H CYS 20 HN CYS 20 -3.795 -0.350 -0.734
141 HA CYS 20 HA CYS 20 -4.048 -1.933 1.549
142 HB2 CYS 20 HB2 CYS 20 -3.922 -2.430 -1.209
143 HB3 CYS 20 HB1 CYS 20 -2.590 -3.346 -0.521
Start of MODEL 12
1 H1 TYR 1 HT1 TYR 1 7.778 2.687 -2.350
2 H2 TYR 1 HT2 TYR 1 7.668 1.000 -2.413
3 H3 TYR 1 HT3 TYR 1 7.702 1.788 -0.917
4 HA TYR 1 HA TYR 1 5.574 2.058 -2.951
5 HB2 TYR 1 HB2 TYR 1 4.253 0.904 -0.944
6 HB3 TYR 1 HB1 TYR 1 5.088 -0.061 -2.145
7 HD1 TYR 1 HD1 TYR 1 7.248 -1.147 -1.560
8 HD2 TYR 1 HD2 TYR 1 4.944 0.927 1.356
9 HE1 TYR 1 HE1 TYR 1 8.529 -2.244 0.226
10 HE2 TYR 1 HE2 TYR 1 6.222 -0.164 3.148
11 HH TYR 1 HH TYR 1 9.104 -1.858 2.585
12 H GLU 2 HN GLU 2 4.558 2.089 0.288
13 HA GLU 2 HA GLU 2 4.771 4.998 0.551
14 HB2 GLU 2 HB2 GLU 2 2.533 4.035 -0.542
15 HB3 GLU 2 HB1 GLU 2 2.117 3.744 1.139
16 HG2 GLU 2 HG2 GLU 2 1.177 5.816 0.667
17 HG3 GLU 2 HG1 GLU 2 2.669 6.212 1.517
18 H THR 3 HN THR 3 3.161 5.291 2.814
19 HA THR 3 HA THR 3 4.198 3.417 4.810
20 HB THR 3 HB THR 3 4.567 5.530 6.288
21 HG1 THR 3 HG1 THR 3 5.348 6.764 3.894
22 HG21 THR 3 HG21 THR 3 6.507 4.794 4.076
23 HG22 THR 3 HG22 THR 3 6.359 3.979 5.634
24 HG23 THR 3 HG23 THR 3 6.926 5.649 5.562
25 H GLY 4 HN GLY 4 2.013 5.994 3.979
26 HA2 GLY 4 HA2 GLY 4 0.443 6.050 6.323
27 HA3 GLY 4 HA1 GLY 4 -0.048 6.648 4.751
28 H CYS 5 HN CYS 5 -0.251 4.446 3.186
29 HA CYS 5 HA CYS 5 -1.687 2.805 2.575
30 HB2 CYS 5 HB2 CYS 5 -1.319 1.832 5.422
31 HB3 CYS 5 HB1 CYS 5 -1.958 0.882 4.085
32 H LYS 6 HN LYS 6 -3.567 3.747 2.102
33 HA LYS 6 HA LYS 6 -5.404 4.707 4.083
34 HB2 LYS 6 HB2 LYS 6 -4.941 5.534 1.626
35 HB3 LYS 6 HB1 LYS 6 -6.177 4.354 1.219
36 HG2 LYS 6 HG2 LYS 6 -7.752 5.482 2.712
37 HG3 LYS 6 HG1 LYS 6 -6.510 6.667 3.124
38 HD2 LYS 6 HD2 LYS 6 -6.407 7.368 0.779
39 HD3 LYS 6 HD1 LYS 6 -7.649 6.184 0.370
40 HE2 LYS 6 HE2 LYS 6 -9.223 7.324 1.856
41 HE3 LYS 6 HE1 LYS 6 -7.981 8.508 2.266
42 HZ1 LYS 6 HZ1 LYS 6 -7.926 9.196 -0.051
43 HZ2 LYS 6 HZ2 LYS 6 -9.487 9.357 0.582
44 HZ3 LYS 6 HZ3 LYS 6 -9.119 8.062 -0.442
45 H ARG 7 HN ARG 7 -6.354 2.635 1.395
46 HA ARG 7 HA ARG 7 -7.712 0.848 3.291
47 HB2 ARG 7 HB2 ARG 7 -9.328 0.432 1.256
48 HB3 ARG 7 HB1 ARG 7 -9.564 1.835 2.282
49 HG2 ARG 7 HG2 ARG 7 -8.406 3.227 0.619
50 HG3 ARG 7 HG1 ARG 7 -8.214 1.812 -0.416
51 HD2 ARG 7 HD2 ARG 7 -10.646 1.571 -0.533
52 HD3 ARG 7 HD1 ARG 7 -10.836 2.986 0.502
53 HE ARG 7 HE ARG 7 -9.286 3.701 -1.723
54 HH11 ARG 7 HH11 ARG 7 -12.604 2.808 -0.997
55 HH12 ARG 7 HH12 ARG 7 -13.257 3.709 -2.324
56 HH21 ARG 7 HH21 ARG 7 -10.164 4.873 -3.453
57 HH22 ARG 7 HH22 ARG 7 -11.877 4.877 -3.712
58 H CYS 8 HN CYS 8 -7.373 0.468 -0.196
59 HA CYS 8 HA CYS 8 -5.130 -1.262 -0.050
60 HB2 CYS 8 HB2 CYS 8 -7.033 -2.767 0.742
61 HB3 CYS 8 HB1 CYS 8 -7.635 -2.683 -0.914
62 H CYS 9 HN CYS 9 -4.026 -0.935 -1.773
63 HA CYS 9 HA CYS 9 -5.406 -0.344 -4.292
64 HB2 CYS 9 HB2 CYS 9 -3.188 1.054 -2.911
65 HB3 CYS 9 HB1 CYS 9 -3.040 0.893 -4.659
66 H TYR 10 HN TYR 10 -2.369 -1.493 -2.931
67 HA TYR 10 HA TYR 10 -2.220 -3.719 -4.749
68 HB2 TYR 10 HB2 TYR 10 -0.944 -1.249 -5.442
69 HB3 TYR 10 HB1 TYR 10 0.296 -2.453 -5.104
70 HD1 TYR 10 HD1 TYR 10 -2.447 -1.490 -7.322
71 HD2 TYR 10 HD2 TYR 10 0.526 -4.422 -6.516
72 HE1 TYR 10 HE1 TYR 10 -2.783 -2.439 -9.568
73 HE2 TYR 10 HE2 TYR 10 0.201 -5.380 -8.759
74 HH TYR 10 HH TYR 10 -1.541 -5.457 -10.494
75 H LEU 11 HN LEU 11 0.053 -4.840 -4.439
76 HA LEU 11 HA LEU 11 0.928 -4.542 -1.647
77 HB2 LEU 11 HB2 LEU 11 0.574 -7.176 -3.079
78 HB3 LEU 11 HB1 LEU 11 1.028 -6.945 -1.403
79 HG LEU 11 HG LEU 11 -1.600 -5.909 -2.387
80 HD11 LEU 11 HD11 LEU 11 -2.633 -8.043 -1.778
81 HD12 LEU 11 HD12 LEU 11 -1.029 -8.741 -1.547
82 HD13 LEU 11 HD13 LEU 11 -1.533 -8.200 -3.149
83 HD21 LEU 11 HD21 LEU 11 -0.706 -6.986 0.283
84 HD22 LEU 11 HD22 LEU 11 -2.267 -6.252 -0.083
85 HD23 LEU 11 HD23 LEU 11 -0.798 -5.279 -0.152
86 H ASP 12 HN ASP 12 2.966 -3.936 -1.631
87 HA ASP 12 HA ASP 12 4.679 -4.543 -3.906
88 HB2 ASP 12 HB2 ASP 12 4.979 -2.722 -1.535
89 HB3 ASP 12 HB1 ASP 12 6.328 -3.060 -2.615
90 H GLU 13 HN GLU 13 5.461 -4.643 -0.394
91 HA GLU 13 HA GLU 13 6.923 -7.131 -0.922
92 HB2 GLU 13 HB2 GLU 13 8.104 -4.782 -0.283
93 HB3 GLU 13 HB1 GLU 13 7.863 -5.466 1.319
94 HG2 GLU 13 HG2 GLU 13 9.037 -7.497 0.601
95 HG3 GLU 13 HG1 GLU 13 9.322 -6.752 -0.971
96 H TYR 14 HN TYR 14 5.850 -5.290 1.899
97 HA TYR 14 HA TYR 14 5.222 -7.721 3.347
98 HB2 TYR 14 HB2 TYR 14 5.102 -4.806 4.120
99 HB3 TYR 14 HB1 TYR 14 4.605 -6.108 5.195
100 HD1 TYR 14 HD1 TYR 14 6.252 -7.594 6.192
101 HD2 TYR 14 HD2 TYR 14 7.447 -4.444 3.595
102 HE1 TYR 14 HE1 TYR 14 8.575 -7.854 6.956
103 HE2 TYR 14 HE2 TYR 14 9.774 -4.695 4.351
104 HH TYR 14 HH TYR 14 10.993 -5.567 6.300
105 H GLY 15 HN GLY 15 3.577 -5.340 1.503
106 HA2 GLY 15 HA2 GLY 15 1.383 -6.001 0.637
107 HA3 GLY 15 HA1 GLY 15 0.986 -6.541 2.258
108 H CYS 16 HN CYS 16 2.700 -3.554 1.636
109 HA CYS 16 HA CYS 16 0.257 -2.005 2.113
110 HB2 CYS 16 HB2 CYS 16 2.162 -2.416 4.095
111 HB3 CYS 16 HB1 CYS 16 2.573 -0.834 3.443
112 H ILE 17 HN ILE 17 0.028 -0.449 0.712
113 HA ILE 17 HA ILE 17 2.347 0.923 -0.399
114 HB ILE 17 HB ILE 17 1.581 -0.925 -1.951
115 HG12 ILE 17 HG12 ILE 17 1.683 1.960 -2.864
116 HG13 ILE 17 HG11 ILE 17 3.001 0.810 -2.784
117 HG21 ILE 17 HG21 ILE 17 -0.826 -0.739 -1.637
118 HG22 ILE 17 HG22 ILE 17 -0.406 -0.553 -3.338
119 HG23 ILE 17 HG23 ILE 17 -0.816 0.864 -2.373
120 HD11 ILE 17 HD11 ILE 17 0.687 0.701 -4.712
121 HD12 ILE 17 HD12 ILE 17 2.023 -0.449 -4.638
122 HD13 ILE 17 HD13 ILE 17 2.329 1.231 -5.080
123 H ARG 18 HN ARG 18 0.402 2.272 -2.298
124 HA ARG 18 HA ARG 18 -0.057 4.651 -0.954
125 HB2 ARG 18 HB2 ARG 18 -1.000 3.415 -3.499
126 HB3 ARG 18 HB1 ARG 18 -1.726 4.928 -2.976
127 HG2 ARG 18 HG2 ARG 18 0.363 6.059 -3.068
128 HG3 ARG 18 HG1 ARG 18 1.243 4.542 -3.266
129 HD2 ARG 18 HD2 ARG 18 -0.776 5.571 -5.253
130 HD3 ARG 18 HD1 ARG 18 0.951 5.909 -5.360
131 HE ARG 18 HE ARG 18 0.293 3.103 -5.174
132 HH11 ARG 18 HH11 ARG 18 0.823 5.779 -7.388
133 HH12 ARG 18 HH12 ARG 18 1.196 4.746 -8.728
134 HH21 ARG 18 HH21 ARG 18 0.787 1.773 -6.942
135 HH22 ARG 18 HH22 ARG 18 1.174 2.480 -8.474
136 H CYS 19 HN CYS 19 -1.915 1.784 -0.793
137 HA CYS 19 HA CYS 19 -3.999 3.144 0.695
138 HB2 CYS 19 HB2 CYS 19 -4.798 1.185 -1.439
139 HB3 CYS 19 HB1 CYS 19 -5.830 2.276 -0.527
140 H CYS 20 HN CYS 20 -2.916 -0.007 -0.502
141 HA CYS 20 HA CYS 20 -4.066 -1.420 1.725
142 HB2 CYS 20 HB2 CYS 20 -3.362 -2.194 -0.815
143 HB3 CYS 20 HB1 CYS 20 -2.061 -2.878 0.150
Start of MODEL 13
1 H1 TYR 1 HT1 TYR 1 8.239 2.395 -1.972
2 H2 TYR 1 HT2 TYR 1 7.950 0.728 -1.984
3 H3 TYR 1 HT3 TYR 1 7.767 1.606 -0.551
4 HA TYR 1 HA TYR 1 6.147 1.959 -2.999
5 HB2 TYR 1 HB2 TYR 1 4.325 1.100 -1.240
6 HB3 TYR 1 HB1 TYR 1 5.239 -0.027 -2.226
7 HD1 TYR 1 HD1 TYR 1 4.605 1.198 1.154
8 HD2 TYR 1 HD2 TYR 1 7.073 -1.348 -1.202
9 HE1 TYR 1 HE1 TYR 1 5.386 0.077 3.192
10 HE2 TYR 1 HE2 TYR 1 7.857 -2.475 0.834
11 HH TYR 1 HH TYR 1 6.356 -2.082 3.849
12 H GLU 2 HN GLU 2 4.588 2.293 0.008
13 HA GLU 2 HA GLU 2 4.988 5.192 0.149
14 HB2 GLU 2 HB2 GLU 2 2.938 4.454 -1.292
15 HB3 GLU 2 HB1 GLU 2 2.207 4.016 0.240
16 HG2 GLU 2 HG2 GLU 2 1.404 6.170 -0.385
17 HG3 GLU 2 HG1 GLU 2 2.487 6.376 0.985
18 H THR 3 HN THR 3 3.433 5.926 2.167
19 HA THR 3 HA THR 3 3.647 3.957 4.323
20 HB THR 3 HB THR 3 4.408 5.937 5.823
21 HG1 THR 3 HG1 THR 3 5.462 6.800 3.311
22 HG21 THR 3 HG21 THR 3 5.767 3.942 5.375
23 HG22 THR 3 HG22 THR 3 6.775 5.389 5.378
24 HG23 THR 3 HG23 THR 3 6.313 4.640 3.850
25 H GLY 4 HN GLY 4 1.941 3.886 5.545
26 HA2 GLY 4 HA2 GLY 4 0.292 5.182 6.886
27 HA3 GLY 4 HA1 GLY 4 -0.004 6.111 5.422
28 H CYS 5 HN CYS 5 -0.213 4.224 3.481
29 HA CYS 5 HA CYS 5 -1.733 2.925 2.432
30 HB2 CYS 5 HB2 CYS 5 -1.734 1.334 5.008
31 HB3 CYS 5 HB1 CYS 5 -2.199 0.749 3.414
32 H LYS 6 HN LYS 6 -3.471 4.140 2.043
33 HA LYS 6 HA LYS 6 -5.391 4.986 3.916
34 HB2 LYS 6 HB2 LYS 6 -4.829 5.787 1.474
35 HB3 LYS 6 HB1 LYS 6 -6.105 4.662 1.034
36 HG2 LYS 6 HG2 LYS 6 -7.668 5.861 2.483
37 HG3 LYS 6 HG1 LYS 6 -6.386 6.988 2.932
38 HD2 LYS 6 HD2 LYS 6 -6.185 7.686 0.593
39 HD3 LYS 6 HD1 LYS 6 -7.469 6.559 0.147
40 HE2 LYS 6 HE2 LYS 6 -9.030 7.770 1.591
41 HE3 LYS 6 HE1 LYS 6 -7.746 8.894 2.038
42 HZ1 LYS 6 HZ1 LYS 6 -8.826 8.506 -0.702
43 HZ2 LYS 6 HZ2 LYS 6 -7.595 9.584 -0.274
44 HZ3 LYS 6 HZ3 LYS 6 -9.164 9.814 0.316
45 H ARG 7 HN ARG 7 -6.430 2.980 1.211
46 HA ARG 7 HA ARG 7 -7.951 1.304 3.090
47 HB2 ARG 7 HB2 ARG 7 -9.434 0.877 0.951
48 HB3 ARG 7 HB1 ARG 7 -9.680 2.322 1.915
49 HG2 ARG 7 HG2 ARG 7 -8.351 3.612 0.301
50 HG3 ARG 7 HG1 ARG 7 -8.132 2.156 -0.669
51 HD2 ARG 7 HD2 ARG 7 -10.556 1.996 -0.971
52 HD3 ARG 7 HD1 ARG 7 -10.772 3.454 -0.002
53 HE ARG 7 HE ARG 7 -9.026 4.034 -2.117
54 HH11 ARG 7 HH11 ARG 7 -12.422 3.274 -1.636
55 HH12 ARG 7 HH12 ARG 7 -12.935 4.146 -3.043
56 HH21 ARG 7 HH21 ARG 7 -9.721 5.168 -3.953
57 HH22 ARG 7 HH22 ARG 7 -11.405 5.217 -4.352
58 H CYS 8 HN CYS 8 -7.513 0.681 -0.339
59 HA CYS 8 HA CYS 8 -5.315 -1.075 -0.017
60 HB2 CYS 8 HB2 CYS 8 -7.986 -2.265 0.102
61 HB3 CYS 8 HB1 CYS 8 -6.924 -3.001 -1.098
62 H CYS 9 HN CYS 9 -4.151 -0.742 -1.658
63 HA CYS 9 HA CYS 9 -5.394 -0.261 -4.266
64 HB2 CYS 9 HB2 CYS 9 -3.120 1.040 -2.849
65 HB3 CYS 9 HB1 CYS 9 -3.045 0.932 -4.606
66 H TYR 10 HN TYR 10 -2.344 -1.369 -2.855
67 HA TYR 10 HA TYR 10 -2.241 -3.684 -4.587
68 HB2 TYR 10 HB2 TYR 10 -0.887 -1.229 -5.297
69 HB3 TYR 10 HB1 TYR 10 0.280 -2.521 -5.042
70 HD1 TYR 10 HD1 TYR 10 0.270 -4.499 -6.479
71 HD2 TYR 10 HD2 TYR 10 -2.438 -1.285 -7.132
72 HE1 TYR 10 HE1 TYR 10 -0.213 -5.373 -8.729
73 HE2 TYR 10 HE2 TYR 10 -2.931 -2.149 -9.383
74 HH TYR 10 HH TYR 10 -2.007 -5.249 -10.406
75 H LEU 11 HN LEU 11 0.017 -4.823 -4.278
76 HA LEU 11 HA LEU 11 0.971 -4.464 -1.517
77 HB2 LEU 11 HB2 LEU 11 0.507 -7.103 -2.914
78 HB3 LEU 11 HB1 LEU 11 1.123 -6.892 -1.287
79 HG LEU 11 HG LEU 11 -1.335 -5.513 -1.391
80 HD11 LEU 11 HD11 LEU 11 -2.880 -7.275 -2.071
81 HD12 LEU 11 HD12 LEU 11 -1.517 -8.259 -2.605
82 HD13 LEU 11 HD13 LEU 11 -1.870 -6.730 -3.410
83 HD21 LEU 11 HD21 LEU 11 -2.024 -7.464 0.116
84 HD22 LEU 11 HD22 LEU 11 -0.668 -6.464 0.628
85 HD23 LEU 11 HD23 LEU 11 -0.373 -8.045 -0.100
86 H ASP 12 HN ASP 12 3.037 -3.892 -1.570
87 HA ASP 12 HA ASP 12 4.640 -4.545 -3.917
88 HB2 ASP 12 HB2 ASP 12 5.090 -2.655 -1.614
89 HB3 ASP 12 HB1 ASP 12 6.322 -2.982 -2.829
90 H GLU 13 HN GLU 13 5.369 -4.629 -0.387
91 HA GLU 13 HA GLU 13 7.049 -6.971 -0.928
92 HB2 GLU 13 HB2 GLU 13 8.028 -4.561 -0.206
93 HB3 GLU 13 HB1 GLU 13 7.791 -5.292 1.376
94 HG2 GLU 13 HG2 GLU 13 9.132 -7.217 0.657
95 HG3 GLU 13 HG1 GLU 13 9.411 -6.418 -0.889
96 H TYR 14 HN TYR 14 6.012 -5.366 2.040
97 HA TYR 14 HA TYR 14 5.440 -7.881 3.322
98 HB2 TYR 14 HB2 TYR 14 5.177 -5.020 4.246
99 HB3 TYR 14 HB1 TYR 14 4.744 -6.398 5.252
100 HD1 TYR 14 HD1 TYR 14 7.501 -4.522 3.742
101 HD2 TYR 14 HD2 TYR 14 6.461 -7.852 6.176
102 HE1 TYR 14 HE1 TYR 14 9.838 -4.700 4.486
103 HE2 TYR 14 HE2 TYR 14 8.794 -8.039 6.929
104 HH TYR 14 HH TYR 14 11.100 -5.610 6.390
105 H GLY 15 HN GLY 15 3.665 -5.446 1.665
106 HA2 GLY 15 HA2 GLY 15 1.518 -6.295 0.753
107 HA3 GLY 15 HA1 GLY 15 1.133 -6.781 2.392
108 H CYS 16 HN CYS 16 2.720 -3.763 1.565
109 HA CYS 16 HA CYS 16 0.236 -2.269 1.926
110 HB2 CYS 16 HB2 CYS 16 2.014 -2.580 4.042
111 HB3 CYS 16 HB1 CYS 16 2.431 -1.005 3.373
112 H ILE 17 HN ILE 17 0.132 -0.431 0.785
113 HA ILE 17 HA ILE 17 2.546 0.694 -0.392
114 HB ILE 17 HB ILE 17 1.668 -0.852 -2.081
115 HG12 ILE 17 HG12 ILE 17 1.309 2.050 -2.891
116 HG13 ILE 17 HG11 ILE 17 2.845 1.212 -2.775
117 HG21 ILE 17 HG21 ILE 17 -0.887 0.677 -1.747
118 HG22 ILE 17 HG22 ILE 17 -0.620 -1.065 -1.792
119 HG23 ILE 17 HG23 ILE 17 -0.510 -0.118 -3.275
120 HD11 ILE 17 HD11 ILE 17 2.117 1.394 -5.081
121 HD12 ILE 17 HD12 ILE 17 0.618 0.552 -4.690
122 HD13 ILE 17 HD13 ILE 17 2.160 -0.295 -4.575
123 H ARG 18 HN ARG 18 -0.048 2.043 -1.937
124 HA ARG 18 HA ARG 18 0.034 4.453 -0.337
125 HB2 ARG 18 HB2 ARG 18 0.216 4.300 -2.885
126 HB3 ARG 18 HB1 ARG 18 -1.502 3.940 -2.882
127 HG2 ARG 18 HG2 ARG 18 -1.712 6.164 -1.550
128 HG3 ARG 18 HG1 ARG 18 -0.108 6.499 -2.203
129 HD2 ARG 18 HD2 ARG 18 -1.752 7.461 -3.668
130 HD3 ARG 18 HD1 ARG 18 -1.008 6.086 -4.481
131 HE ARG 18 HE ARG 18 -3.161 4.927 -3.441
132 HH11 ARG 18 HH11 ARG 18 -2.912 7.984 -5.157
133 HH12 ARG 18 HH12 ARG 18 -4.523 7.894 -5.787
134 HH21 ARG 18 HH21 ARG 18 -5.267 4.834 -4.274
135 HH22 ARG 18 HH22 ARG 18 -5.855 6.111 -5.286
136 H CYS 19 HN CYS 19 -1.914 1.698 -0.566
137 HA CYS 19 HA CYS 19 -4.028 2.954 0.977
138 HB2 CYS 19 HB2 CYS 19 -4.798 1.168 -1.308
139 HB3 CYS 19 HB1 CYS 19 -5.809 2.288 -0.404
140 H CYS 20 HN CYS 20 -3.110 -0.118 -0.521
141 HA CYS 20 HA CYS 20 -4.239 -1.689 1.610
142 HB2 CYS 20 HB2 CYS 20 -3.729 -2.200 -1.017
143 HB3 CYS 20 HB1 CYS 20 -2.370 -3.005 -0.251
Start of MODEL 14
1 H1 TYR 1 HT1 TYR 1 7.740 1.979 -1.796
2 H2 TYR 1 HT2 TYR 1 7.339 3.171 -2.925
3 H3 TYR 1 HT3 TYR 1 7.280 1.539 -3.364
4 HA TYR 1 HA TYR 1 5.085 2.453 -3.003
5 HB2 TYR 1 HB2 TYR 1 4.416 0.724 -1.150
6 HB3 TYR 1 HB1 TYR 1 5.091 0.125 -2.655
7 HD1 TYR 1 HD1 TYR 1 7.413 -0.750 -2.686
8 HD2 TYR 1 HD2 TYR 1 5.547 0.467 0.939
9 HE1 TYR 1 HE1 TYR 1 9.126 -1.964 -1.405
10 HE2 TYR 1 HE2 TYR 1 7.255 -0.742 2.230
11 HH TYR 1 HH TYR 1 10.118 -1.921 0.843
12 H GLU 2 HN GLU 2 4.210 1.846 -0.069
13 HA GLU 2 HA GLU 2 5.000 4.370 1.193
14 HB2 GLU 2 HB2 GLU 2 2.724 4.335 -0.211
15 HB3 GLU 2 HB1 GLU 2 2.106 3.622 1.270
16 HG2 GLU 2 HG2 GLU 2 1.660 5.887 1.510
17 HG3 GLU 2 HG1 GLU 2 3.132 5.655 2.449
18 H THR 3 HN THR 3 3.304 4.274 3.382
19 HA THR 3 HA THR 3 3.698 1.664 4.648
20 HB THR 3 HB THR 3 4.369 3.041 6.757
21 HG1 THR 3 HG1 THR 3 5.635 4.745 4.921
22 HG21 THR 3 HG21 THR 3 6.315 2.600 4.473
23 HG22 THR 3 HG22 THR 3 5.834 1.395 5.666
24 HG23 THR 3 HG23 THR 3 6.758 2.811 6.167
25 H GLY 4 HN GLY 4 2.225 4.813 4.668
26 HA2 GLY 4 HA2 GLY 4 0.493 4.588 6.856
27 HA3 GLY 4 HA1 GLY 4 0.238 5.634 5.472
28 H CYS 5 HN CYS 5 -0.129 3.781 3.425
29 HA CYS 5 HA CYS 5 -1.760 2.619 2.375
30 HB2 CYS 5 HB2 CYS 5 -2.514 1.030 4.772
31 HB3 CYS 5 HB1 CYS 5 -2.132 0.491 3.142
32 H LYS 6 HN LYS 6 -3.362 4.001 1.899
33 HA LYS 6 HA LYS 6 -5.145 5.175 3.727
34 HB2 LYS 6 HB2 LYS 6 -4.473 5.775 1.243
35 HB3 LYS 6 HB1 LYS 6 -5.897 4.823 0.858
36 HG2 LYS 6 HG2 LYS 6 -6.810 6.914 0.967
37 HG3 LYS 6 HG1 LYS 6 -7.034 6.388 2.636
38 HD2 LYS 6 HD2 LYS 6 -4.993 7.575 3.283
39 HD3 LYS 6 HD1 LYS 6 -4.762 8.094 1.613
40 HE2 LYS 6 HE2 LYS 6 -6.885 9.309 1.701
41 HE3 LYS 6 HE1 LYS 6 -7.113 8.790 3.370
42 HZ1 LYS 6 HZ1 LYS 6 -6.229 11.033 3.255
43 HZ2 LYS 6 HZ2 LYS 6 -4.889 10.492 2.377
44 HZ3 LYS 6 HZ3 LYS 6 -5.107 9.994 3.979
45 H ARG 7 HN ARG 7 -6.246 3.076 1.111
46 HA ARG 7 HA ARG 7 -7.993 1.671 3.006
47 HB2 ARG 7 HB2 ARG 7 -9.522 1.338 0.897
48 HB3 ARG 7 HB1 ARG 7 -9.597 2.848 1.786
49 HG2 ARG 7 HG2 ARG 7 -8.081 3.860 0.099
50 HG3 ARG 7 HG1 ARG 7 -8.160 2.356 -0.817
51 HD2 ARG 7 HD2 ARG 7 -10.587 2.604 -1.013
52 HD3 ARG 7 HD1 ARG 7 -10.505 4.110 -0.101
53 HE ARG 7 HE ARG 7 -8.786 4.351 -2.280
54 HH11 ARG 7 HH11 ARG 7 -12.241 4.038 -1.732
55 HH12 ARG 7 HH12 ARG 7 -12.664 4.899 -3.174
56 HH21 ARG 7 HH21 ARG 7 -9.364 5.474 -4.162
57 HH22 ARG 7 HH22 ARG 7 -11.035 5.711 -4.548
58 H CYS 8 HN CYS 8 -7.604 0.902 -0.400
59 HA CYS 8 HA CYS 8 -5.603 -1.088 0.039
60 HB2 CYS 8 HB2 CYS 8 -7.666 -2.284 0.813
61 HB3 CYS 8 HB1 CYS 8 -8.304 -2.127 -0.821
62 H CYS 9 HN CYS 9 -4.334 -0.787 -1.615
63 HA CYS 9 HA CYS 9 -5.515 -0.369 -4.264
64 HB2 CYS 9 HB2 CYS 9 -3.196 0.928 -2.912
65 HB3 CYS 9 HB1 CYS 9 -3.101 0.685 -4.654
66 H TYR 10 HN TYR 10 -2.614 -1.616 -2.685
67 HA TYR 10 HA TYR 10 -2.582 -4.075 -4.114
68 HB2 TYR 10 HB2 TYR 10 -1.281 -1.806 -5.369
69 HB3 TYR 10 HB1 TYR 10 -0.123 -3.080 -5.020
70 HD1 TYR 10 HD1 TYR 10 -0.665 -5.424 -5.903
71 HD2 TYR 10 HD2 TYR 10 -2.647 -1.909 -7.248
72 HE1 TYR 10 HE1 TYR 10 -1.371 -6.613 -7.941
73 HE2 TYR 10 HE2 TYR 10 -3.365 -3.087 -9.288
74 HH TYR 10 HH TYR 10 -2.664 -5.017 -10.641
75 H LEU 11 HN LEU 11 -0.281 -5.172 -3.832
76 HA LEU 11 HA LEU 11 0.915 -4.311 -1.284
77 HB2 LEU 11 HB2 LEU 11 0.472 -7.176 -2.130
78 HB3 LEU 11 HB1 LEU 11 1.118 -6.622 -0.598
79 HG LEU 11 HG LEU 11 -1.636 -5.789 -1.412
80 HD11 LEU 11 HD11 LEU 11 -0.907 -8.439 -0.189
81 HD12 LEU 11 HD12 LEU 11 -1.618 -8.175 -1.781
82 HD13 LEU 11 HD13 LEU 11 -2.540 -7.789 -0.328
83 HD21 LEU 11 HD21 LEU 11 -2.007 -5.617 0.929
84 HD22 LEU 11 HD22 LEU 11 -0.453 -4.852 0.593
85 HD23 LEU 11 HD23 LEU 11 -0.507 -6.470 1.294
86 H ASP 12 HN ASP 12 2.962 -3.786 -1.550
87 HA ASP 12 HA ASP 12 4.415 -4.729 -3.881
88 HB2 ASP 12 HB2 ASP 12 4.864 -2.533 -1.890
89 HB3 ASP 12 HB1 ASP 12 6.179 -3.066 -2.932
90 H GLU 13 HN GLU 13 5.609 -4.259 -0.518
91 HA GLU 13 HA GLU 13 7.001 -6.825 -0.790
92 HB2 GLU 13 HB2 GLU 13 8.238 -4.416 -0.712
93 HB3 GLU 13 HB1 GLU 13 8.221 -4.832 0.997
94 HG2 GLU 13 HG2 GLU 13 9.300 -6.969 0.462
95 HG3 GLU 13 HG1 GLU 13 9.365 -6.490 -1.233
96 H TYR 14 HN TYR 14 6.251 -4.512 1.781
97 HA TYR 14 HA TYR 14 5.921 -6.632 3.718
98 HB2 TYR 14 HB2 TYR 14 5.729 -3.631 3.934
99 HB3 TYR 14 HB1 TYR 14 5.425 -4.711 5.290
100 HD1 TYR 14 HD1 TYR 14 7.978 -3.315 3.068
101 HD2 TYR 14 HD2 TYR 14 7.248 -5.926 6.346
102 HE1 TYR 14 HE1 TYR 14 10.385 -3.349 3.568
103 HE2 TYR 14 HE2 TYR 14 9.653 -5.966 6.857
104 HH TYR 14 HH TYR 14 11.861 -3.787 5.486
105 H GLY 15 HN GLY 15 3.898 -4.548 1.833
106 HA2 GLY 15 HA2 GLY 15 1.650 -5.660 1.454
107 HA3 GLY 15 HA1 GLY 15 1.504 -5.593 3.201
108 H CYS 16 HN CYS 16 3.030 -2.959 1.514
109 HA CYS 16 HA CYS 16 0.559 -1.388 1.535
110 HB2 CYS 16 HB2 CYS 16 1.944 -1.062 3.692
111 HB3 CYS 16 HB1 CYS 16 3.083 -0.197 2.664
112 H ILE 17 HN ILE 17 0.485 0.280 0.069
113 HA ILE 17 HA ILE 17 2.792 0.738 -1.648
114 HB ILE 17 HB ILE 17 1.608 -0.960 -2.867
115 HG12 ILE 17 HG12 ILE 17 1.214 1.807 -4.041
116 HG13 ILE 17 HG11 ILE 17 2.674 0.835 -4.140
117 HG21 ILE 17 HG21 ILE 17 -0.620 -0.690 -1.854
118 HG22 ILE 17 HG22 ILE 17 -0.702 -0.722 -3.611
119 HG23 ILE 17 HG23 ILE 17 -0.844 0.809 -2.756
120 HD11 ILE 17 HD11 ILE 17 1.455 0.817 -6.236
121 HD12 ILE 17 HD12 ILE 17 0.024 0.189 -5.418
122 HD13 ILE 17 HD13 ILE 17 1.483 -0.796 -5.521
123 H ARG 18 HN ARG 18 -0.556 1.629 -1.182
124 HA ARG 18 HA ARG 18 -0.005 4.442 -0.913
125 HB2 ARG 18 HB2 ARG 18 -0.017 3.840 -3.445
126 HB3 ARG 18 HB1 ARG 18 -1.743 3.589 -3.237
127 HG2 ARG 18 HG2 ARG 18 -1.824 5.978 -2.339
128 HG3 ARG 18 HG1 ARG 18 -0.189 6.150 -2.980
129 HD2 ARG 18 HD2 ARG 18 -1.736 6.971 -4.619
130 HD3 ARG 18 HD1 ARG 18 -1.054 5.457 -5.207
131 HE ARG 18 HE ARG 18 -3.287 4.564 -4.096
132 HH11 ARG 18 HH11 ARG 18 -2.847 7.372 -6.163
133 HH12 ARG 18 HH12 ARG 18 -4.451 7.289 -6.811
134 HH21 ARG 18 HH21 ARG 18 -5.383 4.480 -4.957
135 HH22 ARG 18 HH22 ARG 18 -5.884 5.653 -6.127
136 H CYS 19 HN CYS 19 -1.982 1.665 -0.820
137 HA CYS 19 HA CYS 19 -4.021 3.005 0.746
138 HB2 CYS 19 HB2 CYS 19 -4.917 1.180 -1.457
139 HB3 CYS 19 HB1 CYS 19 -5.858 2.366 -0.565
140 H CYS 20 HN CYS 20 -3.128 -0.113 -0.687
141 HA CYS 20 HA CYS 20 -4.097 -1.517 1.686
142 HB2 CYS 20 HB2 CYS 20 -4.157 -2.213 -1.004
143 HB3 CYS 20 HB1 CYS 20 -2.848 -3.193 -0.361
Start of MODEL 15
1 H1 TYR 1 HT1 TYR 1 7.863 0.804 -2.344
2 H2 TYR 1 HT2 TYR 1 7.853 1.676 -0.894
3 H3 TYR 1 HT3 TYR 1 8.068 2.484 -2.364
4 HA TYR 1 HA TYR 1 5.872 1.945 -3.070
5 HB2 TYR 1 HB2 TYR 1 4.365 0.976 -1.104
6 HB3 TYR 1 HB1 TYR 1 5.234 -0.103 -2.179
7 HD1 TYR 1 HD1 TYR 1 7.230 -1.304 -1.366
8 HD2 TYR 1 HD2 TYR 1 4.945 1.175 1.230
9 HE1 TYR 1 HE1 TYR 1 8.326 -2.336 0.577
10 HE2 TYR 1 HE2 TYR 1 6.035 0.150 3.178
11 HH TYR 1 HH TYR 1 7.196 -1.940 3.749
12 H GLU 2 HN GLU 2 4.496 2.224 -0.038
13 HA GLU 2 HA GLU 2 4.960 5.107 0.210
14 HB2 GLU 2 HB2 GLU 2 2.870 4.457 -1.229
15 HB3 GLU 2 HB1 GLU 2 2.149 4.009 0.304
16 HG2 GLU 2 HG2 GLU 2 1.402 6.197 -0.224
17 HG3 GLU 2 HG1 GLU 2 2.556 6.349 1.093
18 H THR 3 HN THR 3 3.482 5.822 2.264
19 HA THR 3 HA THR 3 3.636 3.777 4.353
20 HB THR 3 HB THR 3 4.493 5.685 5.901
21 HG1 THR 3 HG1 THR 3 5.536 6.554 3.384
22 HG21 THR 3 HG21 THR 3 6.323 4.343 3.886
23 HG22 THR 3 HG22 THR 3 5.747 3.634 5.394
24 HG23 THR 3 HG23 THR 3 6.826 5.028 5.430
25 H GLY 4 HN GLY 4 1.906 3.708 5.512
26 HA2 GLY 4 HA2 GLY 4 0.330 5.048 6.931
27 HA3 GLY 4 HA1 GLY 4 0.050 6.010 5.485
28 H CYS 5 HN CYS 5 -0.195 4.134 3.518
29 HA CYS 5 HA CYS 5 -1.755 2.902 2.455
30 HB2 CYS 5 HB2 CYS 5 -1.532 1.326 5.024
31 HB3 CYS 5 HB1 CYS 5 -2.425 0.758 3.615
32 H LYS 6 HN LYS 6 -3.465 4.123 2.055
33 HA LYS 6 HA LYS 6 -5.358 5.019 3.940
34 HB2 LYS 6 HB2 LYS 6 -4.767 5.819 1.498
35 HB3 LYS 6 HB1 LYS 6 -6.083 4.741 1.058
36 HG2 LYS 6 HG2 LYS 6 -7.596 5.987 2.523
37 HG3 LYS 6 HG1 LYS 6 -6.273 7.066 2.967
38 HD2 LYS 6 HD2 LYS 6 -6.065 7.769 0.631
39 HD3 LYS 6 HD1 LYS 6 -7.384 6.685 0.187
40 HE2 LYS 6 HE2 LYS 6 -8.899 7.939 1.643
41 HE3 LYS 6 HE1 LYS 6 -7.579 9.021 2.086
42 HZ1 LYS 6 HZ1 LYS 6 -8.978 9.989 0.375
43 HZ2 LYS 6 HZ2 LYS 6 -8.686 8.675 -0.649
44 HZ3 LYS 6 HZ3 LYS 6 -7.420 9.712 -0.223
45 H ARG 7 HN ARG 7 -6.266 2.954 1.221
46 HA ARG 7 HA ARG 7 -7.890 1.322 3.049
47 HB2 ARG 7 HB2 ARG 7 -9.398 0.979 0.929
48 HB3 ARG 7 HB1 ARG 7 -9.577 2.438 1.887
49 HG2 ARG 7 HG2 ARG 7 -8.203 3.664 0.260
50 HG3 ARG 7 HG1 ARG 7 -8.048 2.197 -0.705
51 HD2 ARG 7 HD2 ARG 7 -9.775 3.440 -1.715
52 HD3 ARG 7 HD1 ARG 7 -10.580 2.162 -0.807
53 HE ARG 7 HE ARG 7 -10.415 4.403 0.846
54 HH11 ARG 7 HH11 ARG 7 -12.044 3.493 -2.130
55 HH12 ARG 7 HH12 ARG 7 -13.377 4.564 -1.861
56 HH21 ARG 7 HH21 ARG 7 -12.170 5.797 1.176
57 HH22 ARG 7 HH22 ARG 7 -13.448 5.868 0.008
58 H CYS 8 HN CYS 8 -7.579 0.671 -0.372
59 HA CYS 8 HA CYS 8 -5.432 -1.212 -0.036
60 HB2 CYS 8 HB2 CYS 8 -7.435 -2.539 0.656
61 HB3 CYS 8 HB1 CYS 8 -8.105 -2.284 -0.953
62 H CYS 9 HN CYS 9 -4.168 -0.807 -1.685
63 HA CYS 9 HA CYS 9 -5.373 -0.222 -4.292
64 HB2 CYS 9 HB2 CYS 9 -3.076 1.024 -2.858
65 HB3 CYS 9 HB1 CYS 9 -3.000 0.928 -4.616
66 H TYR 10 HN TYR 10 -2.443 -1.526 -2.817
67 HA TYR 10 HA TYR 10 -2.358 -3.795 -4.574
68 HB2 TYR 10 HB2 TYR 10 -0.953 -1.376 -5.331
69 HB3 TYR 10 HB1 TYR 10 0.178 -2.700 -5.084
70 HD1 TYR 10 HD1 TYR 10 -0.079 -4.794 -6.440
71 HD2 TYR 10 HD2 TYR 10 -2.350 -1.287 -7.241
72 HE1 TYR 10 HE1 TYR 10 -0.607 -5.657 -8.681
73 HE2 TYR 10 HE2 TYR 10 -2.887 -2.141 -9.484
74 HH TYR 10 HH TYR 10 -1.967 -3.729 -11.119
75 H LEU 11 HN LEU 11 -0.101 -4.964 -4.282
76 HA LEU 11 HA LEU 11 0.844 -4.577 -1.521
77 HB2 LEU 11 HB2 LEU 11 0.538 -7.224 -2.944
78 HB3 LEU 11 HB1 LEU 11 1.048 -6.982 -1.284
79 HG LEU 11 HG LEU 11 -1.646 -6.022 -2.166
80 HD11 LEU 11 HD11 LEU 11 -2.589 -8.186 -1.524
81 HD12 LEU 11 HD12 LEU 11 -0.958 -8.836 -1.358
82 HD13 LEU 11 HD13 LEU 11 -1.540 -8.307 -2.936
83 HD21 LEU 11 HD21 LEU 11 -0.753 -5.381 0.042
84 HD22 LEU 11 HD22 LEU 11 -0.632 -7.089 0.467
85 HD23 LEU 11 HD23 LEU 11 -2.211 -6.365 0.157
86 H ASP 12 HN ASP 12 2.858 -3.891 -1.551
87 HA ASP 12 HA ASP 12 4.539 -4.375 -3.866
88 HB2 ASP 12 HB2 ASP 12 4.264 -2.165 -2.513
89 HB3 ASP 12 HB1 ASP 12 5.460 -2.879 -1.437
90 H GLU 13 HN GLU 13 5.443 -4.549 -0.386
91 HA GLU 13 HA GLU 13 6.936 -6.993 -1.019
92 HB2 GLU 13 HB2 GLU 13 8.090 -4.630 -0.380
93 HB3 GLU 13 HB1 GLU 13 7.926 -5.350 1.216
94 HG2 GLU 13 HG2 GLU 13 9.115 -7.340 0.415
95 HG3 GLU 13 HG1 GLU 13 9.323 -6.561 -1.152
96 H TYR 14 HN TYR 14 5.941 -5.231 1.881
97 HA TYR 14 HA TYR 14 5.420 -7.704 3.301
98 HB2 TYR 14 HB2 TYR 14 5.275 -4.807 4.139
99 HB3 TYR 14 HB1 TYR 14 4.846 -6.140 5.205
100 HD1 TYR 14 HD1 TYR 14 7.589 -4.390 3.528
101 HD2 TYR 14 HD2 TYR 14 6.560 -7.614 6.105
102 HE1 TYR 14 HE1 TYR 14 9.948 -4.609 4.185
103 HE2 TYR 14 HE2 TYR 14 8.916 -7.842 6.770
104 HH TYR 14 HH TYR 14 11.143 -7.291 5.883
105 H GLY 15 HN GLY 15 3.652 -5.312 1.586
106 HA2 GLY 15 HA2 GLY 15 1.435 -6.065 0.803
107 HA3 GLY 15 HA1 GLY 15 1.114 -6.543 2.461
108 H CYS 16 HN CYS 16 2.836 -3.600 1.978
109 HA CYS 16 HA CYS 16 0.372 -2.038 2.315
110 HB2 CYS 16 HB2 CYS 16 2.120 -2.438 4.371
111 HB3 CYS 16 HB1 CYS 16 2.759 -0.957 3.667
112 H ILE 17 HN ILE 17 0.184 -0.385 0.995
113 HA ILE 17 HA ILE 17 2.531 0.831 -0.231
114 HB ILE 17 HB ILE 17 1.664 -0.952 -1.757
115 HG12 ILE 17 HG12 ILE 17 1.423 1.858 -2.873
116 HG13 ILE 17 HG11 ILE 17 2.929 0.999 -2.613
117 HG21 ILE 17 HG21 ILE 17 -0.423 -0.547 -3.032
118 HG22 ILE 17 HG22 ILE 17 -0.809 0.768 -1.923
119 HG23 ILE 17 HG23 ILE 17 -0.696 -0.885 -1.322
120 HD11 ILE 17 HD11 ILE 17 2.279 0.947 -4.951
121 HD12 ILE 17 HD12 ILE 17 0.747 0.185 -4.521
122 HD13 ILE 17 HD13 ILE 17 2.263 -0.677 -4.262
123 H ARG 18 HN ARG 18 0.270 2.144 -2.013
124 HA ARG 18 HA ARG 18 0.020 4.546 -0.511
125 HB2 ARG 18 HB2 ARG 18 0.181 4.196 -3.060
126 HB3 ARG 18 HB1 ARG 18 -1.530 3.808 -2.989
127 HG2 ARG 18 HG2 ARG 18 -1.804 6.096 -1.849
128 HG3 ARG 18 HG1 ARG 18 -0.177 6.430 -2.445
129 HD2 ARG 18 HD2 ARG 18 -1.746 7.286 -4.038
130 HD3 ARG 18 HD1 ARG 18 -0.972 5.866 -4.739
131 HE ARG 18 HE ARG 18 -3.157 4.754 -3.745
132 HH11 ARG 18 HH11 ARG 18 -2.876 7.767 -5.534
133 HH12 ARG 18 HH12 ARG 18 -4.470 7.651 -6.202
134 HH21 ARG 18 HH21 ARG 18 -5.240 4.628 -4.629
135 HH22 ARG 18 HH22 ARG 18 -5.806 5.876 -5.689
136 H CYS 19 HN CYS 19 -1.795 1.671 -0.624
137 HA CYS 19 HA CYS 19 -3.912 2.813 0.982
138 HB2 CYS 19 HB2 CYS 19 -4.755 1.125 -1.349
139 HB3 CYS 19 HB1 CYS 19 -5.729 2.216 -0.373
140 H CYS 20 HN CYS 20 -3.001 -0.166 -0.716
141 HA CYS 20 HA CYS 20 -3.869 -1.768 1.562
142 HB2 CYS 20 HB2 CYS 20 -3.956 -2.251 -1.170
143 HB3 CYS 20 HB1 CYS 20 -2.621 -3.253 -0.624
Start of MODEL 16
1 H1 TYR 1 HT1 TYR 1 8.081 2.483 -2.356
2 H2 TYR 1 HT2 TYR 1 7.873 0.805 -2.341
3 H3 TYR 1 HT3 TYR 1 7.858 1.671 -0.888
4 HA TYR 1 HA TYR 1 5.886 1.947 -3.073
5 HB2 TYR 1 HB2 TYR 1 4.370 0.980 -1.113
6 HB3 TYR 1 HB1 TYR 1 5.241 -0.099 -2.185
7 HD1 TYR 1 HD1 TYR 1 4.943 1.180 1.223
8 HD2 TYR 1 HD2 TYR 1 7.231 -1.306 -1.364
9 HE1 TYR 1 HE1 TYR 1 6.023 0.152 3.175
10 HE2 TYR 1 HE2 TYR 1 8.315 -2.341 0.583
11 HH TYR 1 HH TYR 1 7.176 -1.945 3.749
12 H GLU 2 HN GLU 2 4.500 2.227 -0.044
13 HA GLU 2 HA GLU 2 4.967 5.109 0.207
14 HB2 GLU 2 HB2 GLU 2 2.884 4.470 -1.242
15 HB3 GLU 2 HB1 GLU 2 2.155 4.010 0.285
16 HG2 GLU 2 HG2 GLU 2 1.410 6.202 -0.240
17 HG3 GLU 2 HG1 GLU 2 2.546 6.343 1.093
18 H THR 3 HN THR 3 3.482 5.822 2.258
19 HA THR 3 HA THR 3 3.630 3.774 4.345
20 HB THR 3 HB THR 3 4.484 5.673 5.900
21 HG1 THR 3 HG1 THR 3 5.549 6.563 3.401
22 HG21 THR 3 HG21 THR 3 6.819 5.030 5.430
23 HG22 THR 3 HG22 THR 3 6.322 4.358 3.876
24 HG23 THR 3 HG23 THR 3 5.747 3.630 5.376
25 H GLY 4 HN GLY 4 1.913 3.712 5.529
26 HA2 GLY 4 HA2 GLY 4 0.328 5.044 6.935
27 HA3 GLY 4 HA1 GLY 4 0.050 6.007 5.490
28 H CYS 5 HN CYS 5 -0.194 4.141 3.520
29 HA CYS 5 HA CYS 5 -1.751 2.909 2.451
30 HB2 CYS 5 HB2 CYS 5 -1.533 1.324 5.015
31 HB3 CYS 5 HB1 CYS 5 -2.414 0.759 3.598
32 H LYS 6 HN LYS 6 -3.464 4.123 2.053
33 HA LYS 6 HA LYS 6 -5.358 5.016 3.937
34 HB2 LYS 6 HB2 LYS 6 -4.770 5.813 1.493
35 HB3 LYS 6 HB1 LYS 6 -6.087 4.735 1.056
36 HG2 LYS 6 HG2 LYS 6 -7.597 5.981 2.523
37 HG3 LYS 6 HG1 LYS 6 -6.273 7.063 2.963
38 HD2 LYS 6 HD2 LYS 6 -6.070 7.763 0.625
39 HD3 LYS 6 HD1 LYS 6 -7.387 6.676 0.182
40 HE2 LYS 6 HE2 LYS 6 -7.699 8.881 2.208
41 HE3 LYS 6 HE1 LYS 6 -7.991 9.119 0.486
42 HZ1 LYS 6 HZ1 LYS 6 -10.037 8.632 1.669
43 HZ2 LYS 6 HZ2 LYS 6 -9.403 7.167 2.226
44 HZ3 LYS 6 HZ3 LYS 6 -9.683 7.391 0.574
45 H ARG 7 HN ARG 7 -6.270 2.950 1.222
46 HA ARG 7 HA ARG 7 -7.884 1.315 3.054
47 HB2 ARG 7 HB2 ARG 7 -9.399 0.969 0.940
48 HB3 ARG 7 HB1 ARG 7 -9.577 2.428 1.897
49 HG2 ARG 7 HG2 ARG 7 -8.221 3.659 0.266
50 HG3 ARG 7 HG1 ARG 7 -8.052 2.192 -0.695
51 HD2 ARG 7 HD2 ARG 7 -10.487 2.108 -0.978
52 HD3 ARG 7 HD1 ARG 7 -10.642 3.587 -0.032
53 HE ARG 7 HE ARG 7 -8.900 4.141 -2.119
54 HH11 ARG 7 HH11 ARG 7 -12.278 3.243 -1.780
55 HH12 ARG 7 HH12 ARG 7 -12.758 4.052 -3.235
56 HH21 ARG 7 HH21 ARG 7 -9.551 5.194 -4.019
57 HH22 ARG 7 HH22 ARG 7 -11.214 5.155 -4.500
58 H CYS 8 HN CYS 8 -7.581 0.666 -0.370
59 HA CYS 8 HA CYS 8 -5.433 -1.218 -0.037
60 HB2 CYS 8 HB2 CYS 8 -7.440 -2.543 0.652
61 HB3 CYS 8 HB1 CYS 8 -8.106 -2.288 -0.959
62 H CYS 9 HN CYS 9 -4.168 -0.813 -1.686
63 HA CYS 9 HA CYS 9 -5.371 -0.222 -4.292
64 HB2 CYS 9 HB2 CYS 9 -3.077 1.024 -2.853
65 HB3 CYS 9 HB1 CYS 9 -2.998 0.930 -4.611
66 H TYR 10 HN TYR 10 -2.441 -1.524 -2.816
67 HA TYR 10 HA TYR 10 -2.349 -3.788 -4.580
68 HB2 TYR 10 HB2 TYR 10 -0.945 -1.364 -5.321
69 HB3 TYR 10 HB1 TYR 10 0.188 -2.687 -5.075
70 HD1 TYR 10 HD1 TYR 10 -2.345 -1.275 -7.232
71 HD2 TYR 10 HD2 TYR 10 -0.051 -4.770 -6.443
72 HE1 TYR 10 HE1 TYR 10 -2.870 -2.120 -9.480
73 HE2 TYR 10 HE2 TYR 10 -0.571 -5.626 -8.690
74 HH TYR 10 HH TYR 10 -2.292 -5.326 -10.422
75 H LEU 11 HN LEU 11 -0.096 -4.958 -4.283
76 HA LEU 11 HA LEU 11 0.843 -4.575 -1.520
77 HB2 LEU 11 HB2 LEU 11 0.526 -7.223 -2.940
78 HB3 LEU 11 HB1 LEU 11 1.039 -6.982 -1.281
79 HG LEU 11 HG LEU 11 -1.654 -6.019 -2.171
80 HD11 LEU 11 HD11 LEU 11 -0.975 -8.822 -1.315
81 HD12 LEU 11 HD12 LEU 11 -1.543 -8.319 -2.908
82 HD13 LEU 11 HD13 LEU 11 -2.603 -8.170 -1.506
83 HD21 LEU 11 HD21 LEU 11 -2.220 -6.323 0.154
84 HD22 LEU 11 HD22 LEU 11 -0.754 -5.351 0.029
85 HD23 LEU 11 HD23 LEU 11 -0.648 -7.053 0.476
86 H ASP 12 HN ASP 12 2.854 -3.889 -1.554
87 HA ASP 12 HA ASP 12 4.540 -4.380 -3.863
88 HB2 ASP 12 HB2 ASP 12 4.268 -2.170 -2.507
89 HB3 ASP 12 HB1 ASP 12 5.461 -2.889 -1.431
90 H GLU 13 HN GLU 13 5.445 -4.555 -0.385
91 HA GLU 13 HA GLU 13 6.928 -7.005 -1.016
92 HB2 GLU 13 HB2 GLU 13 8.091 -4.645 -0.383
93 HB3 GLU 13 HB1 GLU 13 7.928 -5.361 1.215
94 HG2 GLU 13 HG2 GLU 13 9.108 -7.357 0.415
95 HG3 GLU 13 HG1 GLU 13 9.318 -6.580 -1.153
96 H TYR 14 HN TYR 14 5.940 -5.232 1.879
97 HA TYR 14 HA TYR 14 5.415 -7.697 3.310
98 HB2 TYR 14 HB2 TYR 14 5.265 -4.795 4.134
99 HB3 TYR 14 HB1 TYR 14 4.842 -6.124 5.207
100 HD1 TYR 14 HD1 TYR 14 6.558 -7.584 6.118
101 HD2 TYR 14 HD2 TYR 14 7.579 -4.377 3.514
102 HE1 TYR 14 HE1 TYR 14 8.916 -7.802 6.783
103 HE2 TYR 14 HE2 TYR 14 9.939 -4.588 4.171
104 HH TYR 14 HH TYR 14 11.256 -5.456 6.058
105 H GLY 15 HN GLY 15 3.650 -5.310 1.583
106 HA2 GLY 15 HA2 GLY 15 1.434 -6.059 0.799
107 HA3 GLY 15 HA1 GLY 15 1.111 -6.541 2.456
108 H CYS 16 HN CYS 16 2.832 -3.597 1.960
109 HA CYS 16 HA CYS 16 0.372 -2.032 2.308
110 HB2 CYS 16 HB2 CYS 16 2.121 -2.438 4.362
111 HB3 CYS 16 HB1 CYS 16 2.762 -0.956 3.660
112 H ILE 17 HN ILE 17 0.185 -0.377 0.990
113 HA ILE 17 HA ILE 17 2.535 0.839 -0.232
114 HB ILE 17 HB ILE 17 1.675 -0.937 -1.767
115 HG12 ILE 17 HG12 ILE 17 1.412 1.875 -2.875
116 HG13 ILE 17 HG11 ILE 17 2.925 1.029 -2.615
117 HG21 ILE 17 HG21 ILE 17 -0.809 0.768 -1.916
118 HG22 ILE 17 HG22 ILE 17 -0.683 -0.890 -1.331
119 HG23 ILE 17 HG23 ILE 17 -0.416 -0.536 -3.038
120 HD11 ILE 17 HD11 ILE 17 2.269 0.977 -4.955
121 HD12 ILE 17 HD12 ILE 17 0.751 0.192 -4.522
122 HD13 ILE 17 HD13 ILE 17 2.280 -0.648 -4.269
123 H ARG 18 HN ARG 18 0.256 2.147 -2.008
124 HA ARG 18 HA ARG 18 0.013 4.548 -0.499
125 HB2 ARG 18 HB2 ARG 18 0.175 4.211 -3.049
126 HB3 ARG 18 HB1 ARG 18 -1.536 3.822 -2.980
127 HG2 ARG 18 HG2 ARG 18 -1.791 6.110 -1.813
128 HG3 ARG 18 HG1 ARG 18 -0.179 6.442 -2.449
129 HD2 ARG 18 HD2 ARG 18 -1.780 7.299 -4.007
130 HD3 ARG 18 HD1 ARG 18 -1.036 5.871 -4.722
131 HE ARG 18 HE ARG 18 -3.186 4.758 -3.702
132 HH11 ARG 18 HH11 ARG 18 -2.987 7.843 -5.374
133 HH12 ARG 18 HH12 ARG 18 -4.612 7.754 -5.970
134 HH21 ARG 18 HH21 ARG 18 -5.309 4.666 -4.493
135 HH22 ARG 18 HH22 ARG 18 -5.923 5.957 -5.469
136 H CYS 19 HN CYS 19 -1.796 1.671 -0.619
137 HA CYS 19 HA CYS 19 -3.917 2.807 0.986
138 HB2 CYS 19 HB2 CYS 19 -4.754 1.121 -1.349
139 HB3 CYS 19 HB1 CYS 19 -5.732 2.208 -0.370
140 H CYS 20 HN CYS 20 -3.011 -0.171 -0.716
141 HA CYS 20 HA CYS 20 -3.871 -1.773 1.564
142 HB2 CYS 20 HB2 CYS 20 -3.956 -2.258 -1.171
143 HB3 CYS 20 HB1 CYS 20 -2.623 -3.261 -0.620
Start of MODEL 17
1 H1 TYR 1 HT1 TYR 1 7.719 2.702 -2.398
2 H2 TYR 1 HT2 TYR 1 7.614 1.016 -2.476
3 H3 TYR 1 HT3 TYR 1 7.663 1.791 -0.973
4 HA TYR 1 HA TYR 1 5.511 2.075 -2.979
5 HB2 TYR 1 HB2 TYR 1 4.213 0.894 -0.978
6 HB3 TYR 1 HB1 TYR 1 5.051 -0.059 -2.188
7 HD1 TYR 1 HD1 TYR 1 4.895 0.893 1.319
8 HD2 TYR 1 HD2 TYR 1 7.233 -1.119 -1.612
9 HE1 TYR 1 HE1 TYR 1 6.181 -0.198 3.102
10 HE2 TYR 1 HE2 TYR 1 8.524 -2.217 0.165
11 HH TYR 1 HH TYR 1 9.087 -1.851 2.529
12 H GLU 2 HN GLU 2 4.527 2.070 0.269
13 HA GLU 2 HA GLU 2 4.743 4.975 0.561
14 HB2 GLU 2 HB2 GLU 2 2.490 4.017 -0.514
15 HB3 GLU 2 HB1 GLU 2 2.095 3.727 1.172
16 HG2 GLU 2 HG2 GLU 2 1.170 5.806 0.773
17 HG3 GLU 2 HG1 GLU 2 2.716 6.208 1.514
18 H THR 3 HN THR 3 3.164 5.257 2.838
19 HA THR 3 HA THR 3 4.204 3.362 4.812
20 HB THR 3 HB THR 3 4.602 5.462 6.300
21 HG1 THR 3 HG1 THR 3 5.371 6.708 3.908
22 HG21 THR 3 HG21 THR 3 6.518 4.729 4.067
23 HG22 THR 3 HG22 THR 3 6.378 3.903 5.619
24 HG23 THR 3 HG23 THR 3 6.955 5.568 5.555
25 H GLY 4 HN GLY 4 2.033 5.959 4.014
26 HA2 GLY 4 HA2 GLY 4 0.478 5.998 6.373
27 HA3 GLY 4 HA1 GLY 4 -0.014 6.630 4.814
28 H CYS 5 HN CYS 5 -0.236 4.450 3.212
29 HA CYS 5 HA CYS 5 -1.690 2.835 2.577
30 HB2 CYS 5 HB2 CYS 5 -1.350 1.818 5.412
31 HB3 CYS 5 HB1 CYS 5 -1.979 0.892 4.053
32 H LYS 6 HN LYS 6 -3.571 3.783 2.108
33 HA LYS 6 HA LYS 6 -5.388 4.736 4.120
34 HB2 LYS 6 HB2 LYS 6 -4.904 5.637 1.691
35 HB3 LYS 6 HB1 LYS 6 -6.164 4.496 1.246
36 HG2 LYS 6 HG2 LYS 6 -7.716 5.605 2.776
37 HG3 LYS 6 HG1 LYS 6 -6.449 6.749 3.229
38 HD2 LYS 6 HD2 LYS 6 -6.331 7.529 0.909
39 HD3 LYS 6 HD1 LYS 6 -7.597 6.384 0.460
40 HE2 LYS 6 HE2 LYS 6 -9.149 7.506 1.985
41 HE3 LYS 6 HE1 LYS 6 -7.882 8.648 2.435
42 HZ1 LYS 6 HZ1 LYS 6 -9.030 8.318 -0.286
43 HZ2 LYS 6 HZ2 LYS 6 -7.814 9.414 0.142
44 HZ3 LYS 6 HZ3 LYS 6 -9.370 9.586 0.783
45 H ARG 7 HN ARG 7 -6.324 2.751 1.359
46 HA ARG 7 HA ARG 7 -7.789 0.973 3.187
47 HB2 ARG 7 HB2 ARG 7 -9.283 0.558 1.062
48 HB3 ARG 7 HB1 ARG 7 -9.563 1.976 2.057
49 HG2 ARG 7 HG2 ARG 7 -8.255 3.322 0.447
50 HG3 ARG 7 HG1 ARG 7 -8.082 1.891 -0.568
51 HD2 ARG 7 HD2 ARG 7 -10.518 1.747 -0.774
52 HD3 ARG 7 HD1 ARG 7 -10.685 3.184 0.233
53 HE ARG 7 HE ARG 7 -9.032 3.860 -1.896
54 HH11 ARG 7 HH11 ARG 7 -12.376 2.884 -1.453
55 HH12 ARG 7 HH12 ARG 7 -12.931 3.741 -2.851
56 HH21 ARG 7 HH21 ARG 7 -9.781 4.974 -3.722
57 HH22 ARG 7 HH22 ARG 7 -11.462 4.923 -4.135
58 H CYS 8 HN CYS 8 -7.341 0.486 -0.265
59 HA CYS 8 HA CYS 8 -5.051 -1.134 -0.070
60 HB2 CYS 8 HB2 CYS 8 -7.632 -2.540 0.152
61 HB3 CYS 8 HB1 CYS 8 -6.478 -3.228 -0.990
62 H CYS 9 HN CYS 9 -4.020 -0.836 -1.784
63 HA CYS 9 HA CYS 9 -5.440 -0.454 -4.319
64 HB2 CYS 9 HB2 CYS 9 -3.148 0.957 -3.056
65 HB3 CYS 9 HB1 CYS 9 -3.105 0.760 -4.805
66 H TYR 10 HN TYR 10 -2.337 -1.490 -2.998
67 HA TYR 10 HA TYR 10 -2.260 -3.854 -4.649
68 HB2 TYR 10 HB2 TYR 10 -0.958 -1.430 -5.524
69 HB3 TYR 10 HB1 TYR 10 0.242 -2.681 -5.218
70 HD1 TYR 10 HD1 TYR 10 -2.552 -1.636 -7.309
71 HD2 TYR 10 HD2 TYR 10 0.255 -4.733 -6.531
72 HE1 TYR 10 HE1 TYR 10 -3.072 -2.646 -9.494
73 HE2 TYR 10 HE2 TYR 10 -0.254 -5.754 -8.714
74 HH TYR 10 HH TYR 10 -2.010 -4.145 -11.129
75 H LEU 11 HN LEU 11 -0.015 -4.985 -4.333
76 HA LEU 11 HA LEU 11 0.952 -4.508 -1.592
77 HB2 LEU 11 HB2 LEU 11 0.574 -7.200 -2.911
78 HB3 LEU 11 HB1 LEU 11 1.151 -6.917 -1.281
79 HG LEU 11 HG LEU 11 -1.303 -5.605 -1.381
80 HD11 LEU 11 HD11 LEU 11 -1.811 -6.697 -3.481
81 HD12 LEU 11 HD12 LEU 11 -2.859 -7.291 -2.192
82 HD13 LEU 11 HD13 LEU 11 -1.504 -8.273 -2.752
83 HD21 LEU 11 HD21 LEU 11 -0.387 -8.222 -0.236
84 HD22 LEU 11 HD22 LEU 11 -2.033 -7.638 -0.006
85 HD23 LEU 11 HD23 LEU 11 -0.674 -6.688 0.587
86 H ASP 12 HN ASP 12 2.976 -3.843 -1.674
87 HA ASP 12 HA ASP 12 4.634 -4.491 -3.973
88 HB2 ASP 12 HB2 ASP 12 4.378 -2.179 -2.798
89 HB3 ASP 12 HB1 ASP 12 5.571 -2.814 -1.669
90 H GLU 13 HN GLU 13 5.285 -4.567 -0.427
91 HA GLU 13 HA GLU 13 6.989 -6.912 -0.927
92 HB2 GLU 13 HB2 GLU 13 7.530 -4.555 0.860
93 HB3 GLU 13 HB1 GLU 13 8.359 -6.089 1.075
94 HG2 GLU 13 HG2 GLU 13 8.376 -4.642 -1.553
95 HG3 GLU 13 HG1 GLU 13 9.532 -4.269 -0.275
96 H TYR 14 HN TYR 14 5.924 -5.314 2.030
97 HA TYR 14 HA TYR 14 5.270 -7.835 3.267
98 HB2 TYR 14 HB2 TYR 14 5.050 -4.988 4.255
99 HB3 TYR 14 HB1 TYR 14 4.643 -6.396 5.231
100 HD1 TYR 14 HD1 TYR 14 7.363 -4.460 3.724
101 HD2 TYR 14 HD2 TYR 14 6.386 -7.863 6.084
102 HE1 TYR 14 HE1 TYR 14 9.713 -4.642 4.425
103 HE2 TYR 14 HE2 TYR 14 8.733 -8.055 6.790
104 HH TYR 14 HH TYR 14 10.958 -7.381 5.990
105 H GLY 15 HN GLY 15 3.589 -5.298 1.660
106 HA2 GLY 15 HA2 GLY 15 1.422 -6.014 0.703
107 HA3 GLY 15 HA1 GLY 15 1.008 -6.577 2.312
108 H CYS 16 HN CYS 16 2.678 -3.564 1.598
109 HA CYS 16 HA CYS 16 0.234 -2.039 2.118
110 HB2 CYS 16 HB2 CYS 16 2.151 -2.410 4.097
111 HB3 CYS 16 HB1 CYS 16 2.546 -0.832 3.425
112 H ILE 17 HN ILE 17 -0.017 -0.481 0.724
113 HA ILE 17 HA ILE 17 2.294 0.883 -0.426
114 HB ILE 17 HB ILE 17 1.437 -0.981 -1.947
115 HG12 ILE 17 HG12 ILE 17 1.493 1.845 -3.049
116 HG13 ILE 17 HG11 ILE 17 2.895 0.844 -2.726
117 HG21 ILE 17 HG21 ILE 17 -0.951 -0.707 -1.645
118 HG22 ILE 17 HG22 ILE 17 -0.529 -0.500 -3.344
119 HG23 ILE 17 HG23 ILE 17 -0.882 0.911 -2.347
120 HD11 ILE 17 HD11 ILE 17 0.758 0.278 -4.772
121 HD12 ILE 17 HD12 ILE 17 2.171 -0.729 -4.455
122 HD13 ILE 17 HD13 ILE 17 2.375 0.901 -5.098
123 H ARG 18 HN ARG 18 0.483 2.359 -2.264
124 HA ARG 18 HA ARG 18 -0.024 4.675 -0.851
125 HB2 ARG 18 HB2 ARG 18 0.143 4.216 -3.375
126 HB3 ARG 18 HB1 ARG 18 -1.566 3.820 -3.293
127 HG2 ARG 18 HG2 ARG 18 -1.841 6.159 -2.239
128 HG3 ARG 18 HG1 ARG 18 -0.227 6.472 -2.881
129 HD2 ARG 18 HD2 ARG 18 -1.849 7.241 -4.477
130 HD3 ARG 18 HD1 ARG 18 -1.053 5.809 -5.129
131 HE ARG 18 HE ARG 18 -3.208 4.709 -4.033
132 HH11 ARG 18 HH11 ARG 18 -2.979 7.586 -6.039
133 HH12 ARG 18 HH12 ARG 18 -4.570 7.394 -6.696
134 HH21 ARG 18 HH21 ARG 18 -5.289 4.483 -4.906
135 HH22 ARG 18 HH22 ARG 18 -5.876 5.639 -6.054
136 H CYS 19 HN CYS 19 -1.873 1.808 -0.787
137 HA CYS 19 HA CYS 19 -4.020 3.128 0.654
138 HB2 CYS 19 HB2 CYS 19 -4.700 1.126 -1.483
139 HB3 CYS 19 HB1 CYS 19 -5.782 2.220 -0.634
140 H CYS 20 HN CYS 20 -2.913 -0.009 -0.542
141 HA CYS 20 HA CYS 20 -4.066 -1.493 1.620
142 HB2 CYS 20 HB2 CYS 20 -3.303 -2.147 -0.901
143 HB3 CYS 20 HB1 CYS 20 -1.939 -2.764 0.015
Start of MODEL 18
1 H1 TYR 1 HT1 TYR 1 7.682 0.984 -2.439
2 H2 TYR 1 HT2 TYR 1 7.718 1.775 -0.945
3 H3 TYR 1 HT3 TYR 1 7.776 2.673 -2.377
4 HA TYR 1 HA TYR 1 5.576 2.025 -2.965
5 HB2 TYR 1 HB2 TYR 1 4.277 0.856 -0.948
6 HB3 TYR 1 HB1 TYR 1 5.110 -0.096 -2.163
7 HD1 TYR 1 HD1 TYR 1 4.969 0.853 1.344
8 HD2 TYR 1 HD2 TYR 1 7.302 -1.148 -1.600
9 HE1 TYR 1 HE1 TYR 1 6.270 -0.233 3.120
10 HE2 TYR 1 HE2 TYR 1 8.608 -2.239 0.173
11 HH TYR 1 HH TYR 1 9.181 -1.871 2.533
12 H GLU 2 HN GLU 2 4.570 2.047 0.277
13 HA GLU 2 HA GLU 2 4.768 4.957 0.538
14 HB2 GLU 2 HB2 GLU 2 2.532 3.977 -0.549
15 HB3 GLU 2 HB1 GLU 2 2.120 3.698 1.136
16 HG2 GLU 2 HG2 GLU 2 1.179 5.768 0.659
17 HG3 GLU 2 HG1 GLU 2 2.679 6.173 1.489
18 H THR 3 HN THR 3 3.177 5.261 2.799
19 HA THR 3 HA THR 3 4.204 3.389 4.801
20 HB THR 3 HB THR 3 4.590 5.506 6.269
21 HG1 THR 3 HG1 THR 3 5.374 6.726 3.868
22 HG21 THR 3 HG21 THR 3 6.522 4.748 4.057
23 HG22 THR 3 HG22 THR 3 6.371 3.942 5.618
24 HG23 THR 3 HG23 THR 3 6.949 5.606 5.538
25 H GLY 4 HN GLY 4 2.035 5.976 3.960
26 HA2 GLY 4 HA2 GLY 4 0.467 6.056 6.305
27 HA3 GLY 4 HA1 GLY 4 -0.022 6.645 4.727
28 H CYS 5 HN CYS 5 -0.238 4.435 3.178
29 HA CYS 5 HA CYS 5 -1.682 2.795 2.581
30 HB2 CYS 5 HB2 CYS 5 -1.310 1.836 5.432
31 HB3 CYS 5 HB1 CYS 5 -1.951 0.880 4.100
32 H LYS 6 HN LYS 6 -3.563 3.732 2.104
33 HA LYS 6 HA LYS 6 -5.389 4.707 4.093
34 HB2 LYS 6 HB2 LYS 6 -4.914 5.547 1.642
35 HB3 LYS 6 HB1 LYS 6 -6.160 4.382 1.225
36 HG2 LYS 6 HG2 LYS 6 -7.727 5.514 2.723
37 HG3 LYS 6 HG1 LYS 6 -6.474 6.682 3.148
38 HD2 LYS 6 HD2 LYS 6 -6.359 7.404 0.810
39 HD3 LYS 6 HD1 LYS 6 -7.612 6.235 0.388
40 HE2 LYS 6 HE2 LYS 6 -9.178 7.380 1.879
41 HE3 LYS 6 HE1 LYS 6 -7.925 8.545 2.303
42 HZ1 LYS 6 HZ1 LYS 6 -7.856 9.255 -0.006
43 HZ2 LYS 6 HZ2 LYS 6 -9.416 9.425 0.623
44 HZ3 LYS 6 HZ3 LYS 6 -9.060 8.137 -0.412
45 H ARG 7 HN ARG 7 -6.340 2.662 1.384
46 HA ARG 7 HA ARG 7 -7.736 0.879 3.259
47 HB2 ARG 7 HB2 ARG 7 -9.315 0.470 1.193
48 HB3 ARG 7 HB1 ARG 7 -9.562 1.876 2.213
49 HG2 ARG 7 HG2 ARG 7 -8.390 3.270 0.577
50 HG3 ARG 7 HG1 ARG 7 -8.135 1.856 -0.445
51 HD2 ARG 7 HD2 ARG 7 -10.558 1.572 -0.649
52 HD3 ARG 7 HD1 ARG 7 -10.809 2.989 0.370
53 HE ARG 7 HE ARG 7 -9.197 3.754 -1.773
54 HH11 ARG 7 HH11 ARG 7 -12.500 2.672 -1.265
55 HH12 ARG 7 HH12 ARG 7 -13.112 3.525 -2.641
56 HH21 ARG 7 HH21 ARG 7 -10.022 4.863 -3.570
57 HH22 ARG 7 HH22 ARG 7 -11.710 4.764 -3.945
58 H CYS 8 HN CYS 8 -7.397 0.442 -0.215
59 HA CYS 8 HA CYS 8 -5.137 -1.270 -0.035
60 HB2 CYS 8 HB2 CYS 8 -7.036 -2.770 0.767
61 HB3 CYS 8 HB1 CYS 8 -7.640 -2.705 -0.888
62 H CYS 9 HN CYS 9 -4.022 -0.911 -1.742
63 HA CYS 9 HA CYS 9 -5.386 -0.375 -4.283
64 HB2 CYS 9 HB2 CYS 9 -3.168 1.037 -2.915
65 HB3 CYS 9 HB1 CYS 9 -3.016 0.849 -4.657
66 H TYR 10 HN TYR 10 -2.364 -1.517 -2.883
67 HA TYR 10 HA TYR 10 -2.210 -3.772 -4.651
68 HB2 TYR 10 HB2 TYR 10 -1.000 -1.325 -5.477
69 HB3 TYR 10 HB1 TYR 10 0.291 -2.451 -5.069
70 HD1 TYR 10 HD1 TYR 10 -2.493 -1.747 -7.321
71 HD2 TYR 10 HD2 TYR 10 0.609 -4.484 -6.345
72 HE1 TYR 10 HE1 TYR 10 -2.786 -2.845 -9.507
73 HE2 TYR 10 HE2 TYR 10 0.329 -5.594 -8.528
74 HH TYR 10 HH TYR 10 -1.407 -5.855 -10.250
75 H LEU 11 HN LEU 11 0.070 -4.867 -4.357
76 HA LEU 11 HA LEU 11 1.002 -4.503 -1.589
77 HB2 LEU 11 HB2 LEU 11 0.590 -7.155 -2.977
78 HB3 LEU 11 HB1 LEU 11 1.177 -6.924 -1.342
79 HG LEU 11 HG LEU 11 -1.229 -5.589 -1.311
80 HD11 LEU 11 HD11 LEU 11 -1.559 -8.086 -2.955
81 HD12 LEU 11 HD12 LEU 11 -1.792 -6.430 -3.515
82 HD13 LEU 11 HD13 LEU 11 -2.862 -7.104 -2.285
83 HD21 LEU 11 HD21 LEU 11 -2.032 -7.730 -0.155
84 HD22 LEU 11 HD22 LEU 11 -0.628 -6.910 0.518
85 HD23 LEU 11 HD23 LEU 11 -0.414 -8.352 -0.472
86 H ASP 12 HN ASP 12 3.023 -3.824 -1.681
87 HA ASP 12 HA ASP 12 4.683 -4.487 -3.979
88 HB2 ASP 12 HB2 ASP 12 4.417 -2.160 -2.843
89 HB3 ASP 12 HB1 ASP 12 5.601 -2.773 -1.695
90 H GLU 13 HN GLU 13 5.265 -4.559 -0.422
91 HA GLU 13 HA GLU 13 7.037 -6.850 -0.886
92 HB2 GLU 13 HB2 GLU 13 7.909 -4.432 -0.082
93 HB3 GLU 13 HB1 GLU 13 7.566 -5.164 1.480
94 HG2 GLU 13 HG2 GLU 13 9.001 -7.060 0.878
95 HG3 GLU 13 HG1 GLU 13 9.379 -6.263 -0.648
96 H TYR 14 HN TYR 14 5.852 -5.348 2.075
97 HA TYR 14 HA TYR 14 5.152 -7.916 3.196
98 HB2 TYR 14 HB2 TYR 14 4.990 -5.107 4.292
99 HB3 TYR 14 HB1 TYR 14 4.480 -6.527 5.198
100 HD1 TYR 14 HD1 TYR 14 7.343 -4.672 3.872
101 HD2 TYR 14 HD2 TYR 14 6.116 -8.107 6.063
102 HE1 TYR 14 HE1 TYR 14 9.653 -4.992 4.654
103 HE2 TYR 14 HE2 TYR 14 8.421 -8.436 6.851
104 HH TYR 14 HH TYR 14 10.706 -7.842 6.162
105 H GLY 15 HN GLY 15 3.543 -5.289 1.658
106 HA2 GLY 15 HA2 GLY 15 1.379 -5.949 0.637
107 HA3 GLY 15 HA1 GLY 15 0.928 -6.543 2.224
108 H CYS 16 HN CYS 16 2.667 -3.548 1.618
109 HA CYS 16 HA CYS 16 0.244 -1.995 2.157
110 HB2 CYS 16 HB2 CYS 16 2.154 -2.433 4.123
111 HB3 CYS 16 HB1 CYS 16 2.588 -0.855 3.474
112 H ILE 17 HN ILE 17 0.001 -0.486 0.710
113 HA ILE 17 HA ILE 17 2.319 0.915 -0.384
114 HB ILE 17 HB ILE 17 1.542 -0.970 -1.913
115 HG12 ILE 17 HG12 ILE 17 1.694 1.895 -2.893
116 HG13 ILE 17 HG11 ILE 17 3.009 0.748 -2.735
117 HG21 ILE 17 HG21 ILE 17 -0.858 -0.751 -1.658
118 HG22 ILE 17 HG22 ILE 17 -0.412 -0.544 -3.352
119 HG23 ILE 17 HG23 ILE 17 -0.815 0.864 -2.369
120 HD11 ILE 17 HD11 ILE 17 0.750 0.571 -4.720
121 HD12 ILE 17 HD12 ILE 17 2.080 -0.578 -4.567
122 HD13 ILE 17 HD13 ILE 17 2.403 1.085 -5.061
123 H ARG 18 HN ARG 18 0.464 2.281 -2.302
124 HA ARG 18 HA ARG 18 -0.060 4.649 -0.998
125 HB2 ARG 18 HB2 ARG 18 -0.992 3.369 -3.529
126 HB3 ARG 18 HB1 ARG 18 -1.719 4.891 -3.032
127 HG2 ARG 18 HG2 ARG 18 0.374 6.017 -3.131
128 HG3 ARG 18 HG1 ARG 18 1.250 4.496 -3.314
129 HD2 ARG 18 HD2 ARG 18 -0.769 5.510 -5.310
130 HD3 ARG 18 HD1 ARG 18 0.959 5.841 -5.422
131 HE ARG 18 HE ARG 18 0.300 3.040 -5.205
132 HH11 ARG 18 HH11 ARG 18 0.809 5.691 -7.453
133 HH12 ARG 18 HH12 ARG 18 1.171 4.644 -8.784
134 HH21 ARG 18 HH21 ARG 18 0.781 1.690 -6.961
135 HH22 ARG 18 HH22 ARG 18 1.155 2.381 -8.504
136 H CYS 19 HN CYS 19 -1.906 1.774 -0.801
137 HA CYS 19 HA CYS 19 -4.003 3.144 0.657
138 HB2 CYS 19 HB2 CYS 19 -4.767 1.160 -1.470
139 HB3 CYS 19 HB1 CYS 19 -5.822 2.232 -0.562
140 H CYS 20 HN CYS 20 -2.923 -0.022 -0.505
141 HA CYS 20 HA CYS 20 -4.073 -1.411 1.735
142 HB2 CYS 20 HB2 CYS 20 -3.369 -2.210 -0.796
143 HB3 CYS 20 HB1 CYS 20 -2.066 -2.884 0.175
Start of MODEL 19
1 H1 TYR 1 HT1 TYR 1 7.686 1.794 -0.884
2 H2 TYR 1 HT2 TYR 1 7.779 2.699 -2.309
3 H3 TYR 1 HT3 TYR 1 7.668 1.013 -2.385
4 HA TYR 1 HA TYR 1 5.581 2.079 -2.939
5 HB2 TYR 1 HB2 TYR 1 4.233 0.915 -0.960
6 HB3 TYR 1 HB1 TYR 1 5.087 -0.047 -2.153
7 HD1 TYR 1 HD1 TYR 1 4.859 0.899 1.351
8 HD2 TYR 1 HD2 TYR 1 7.264 -1.108 -1.532
9 HE1 TYR 1 HE1 TYR 1 6.105 -0.200 3.160
10 HE2 TYR 1 HE2 TYR 1 8.513 -2.213 0.273
11 HH TYR 1 HH TYR 1 7.466 -2.218 3.497
12 H GLU 2 HN GLU 2 4.566 2.089 0.307
13 HA GLU 2 HA GLU 2 4.756 4.999 0.573
14 HB2 GLU 2 HB2 GLU 2 2.515 4.010 -0.500
15 HB3 GLU 2 HB1 GLU 2 2.117 3.734 1.189
16 HG2 GLU 2 HG2 GLU 2 1.176 5.801 0.769
17 HG3 GLU 2 HG1 GLU 2 2.719 6.224 1.506
18 H THR 3 HN THR 3 3.170 5.290 2.841
19 HA THR 3 HA THR 3 4.217 3.421 4.836
20 HB THR 3 HB THR 3 4.595 5.539 6.305
21 HG1 THR 3 HG1 THR 3 5.364 6.761 3.900
22 HG21 THR 3 HG21 THR 3 6.951 5.650 5.571
23 HG22 THR 3 HG22 THR 3 6.526 4.794 4.088
24 HG23 THR 3 HG23 THR 3 6.381 3.983 5.647
25 H GLY 4 HN GLY 4 2.030 5.993 4.003
26 HA2 GLY 4 HA2 GLY 4 0.468 6.047 6.358
27 HA3 GLY 4 HA1 GLY 4 -0.021 6.661 4.791
28 H CYS 5 HN CYS 5 -0.230 4.466 3.210
29 HA CYS 5 HA CYS 5 -1.676 2.835 2.588
30 HB2 CYS 5 HB2 CYS 5 -1.328 1.855 5.436
31 HB3 CYS 5 HB1 CYS 5 -1.971 0.912 4.096
32 H LYS 6 HN LYS 6 -3.559 3.772 2.105
33 HA LYS 6 HA LYS 6 -5.385 4.737 4.104
34 HB2 LYS 6 HB2 LYS 6 -4.896 5.630 1.678
35 HB3 LYS 6 HB1 LYS 6 -6.140 4.475 1.225
36 HG2 LYS 6 HG2 LYS 6 -7.717 5.576 2.736
37 HG3 LYS 6 HG1 LYS 6 -6.467 6.734 3.195
38 HD2 LYS 6 HD2 LYS 6 -6.334 7.506 0.874
39 HD3 LYS 6 HD1 LYS 6 -7.581 6.345 0.416
40 HE2 LYS 6 HE2 LYS 6 -8.012 8.475 2.499
41 HE3 LYS 6 HE1 LYS 6 -8.342 8.734 0.788
42 HZ1 LYS 6 HZ1 LYS 6 -10.336 8.084 1.983
43 HZ2 LYS 6 HZ2 LYS 6 -9.598 6.651 2.494
44 HZ3 LYS 6 HZ3 LYS 6 -9.915 6.897 0.851
45 H ARG 7 HN ARG 7 -6.306 2.729 1.355
46 HA ARG 7 HA ARG 7 -7.766 0.957 3.191
47 HB2 ARG 7 HB2 ARG 7 -9.265 0.534 1.071
48 HB3 ARG 7 HB1 ARG 7 -9.546 1.950 2.065
49 HG2 ARG 7 HG2 ARG 7 -8.263 3.306 0.452
50 HG3 ARG 7 HG1 ARG 7 -8.059 1.874 -0.558
51 HD2 ARG 7 HD2 ARG 7 -10.492 1.689 -0.778
52 HD3 ARG 7 HD1 ARG 7 -10.688 3.128 0.221
53 HE ARG 7 HE ARG 7 -9.036 3.837 -1.888
54 HH11 ARG 7 HH11 ARG 7 -12.352 2.745 -1.506
55 HH12 ARG 7 HH12 ARG 7 -12.908 3.571 -2.923
56 HH21 ARG 7 HH21 ARG 7 -9.787 4.910 -3.739
57 HH22 ARG 7 HH22 ARG 7 -11.456 4.795 -4.185
58 H CYS 8 HN CYS 8 -7.320 0.467 -0.260
59 HA CYS 8 HA CYS 8 -5.030 -1.150 -0.070
60 HB2 CYS 8 HB2 CYS 8 -7.610 -2.560 0.150
61 HB3 CYS 8 HB1 CYS 8 -6.448 -3.248 -0.983
62 H CYS 9 HN CYS 9 -4.002 -0.865 -1.791
63 HA CYS 9 HA CYS 9 -5.434 -0.458 -4.314
64 HB2 CYS 9 HB2 CYS 9 -3.128 0.924 -3.054
65 HB3 CYS 9 HB1 CYS 9 -3.076 0.723 -4.803
66 H TYR 10 HN TYR 10 -2.340 -1.549 -3.019
67 HA TYR 10 HA TYR 10 -2.300 -3.897 -4.698
68 HB2 TYR 10 HB2 TYR 10 -0.923 -1.471 -5.495
69 HB3 TYR 10 HB1 TYR 10 0.211 -2.797 -5.268
70 HD1 TYR 10 HD1 TYR 10 -2.503 -1.474 -7.303
71 HD2 TYR 10 HD2 TYR 10 0.049 -4.817 -6.668
72 HE1 TYR 10 HE1 TYR 10 -3.100 -2.344 -9.524
73 HE2 TYR 10 HE2 TYR 10 -0.541 -5.698 -8.888
74 HH TYR 10 HH TYR 10 -2.371 -5.504 -10.519
75 H LEU 11 HN LEU 11 -0.067 -5.061 -4.392
76 HA LEU 11 HA LEU 11 0.862 -4.651 -1.629
77 HB2 LEU 11 HB2 LEU 11 0.664 -7.298 -3.067
78 HB3 LEU 11 HB1 LEU 11 1.086 -7.042 -1.384
79 HG LEU 11 HG LEU 11 -1.584 -6.148 -2.396
80 HD11 LEU 11 HD11 LEU 11 -0.876 -8.950 -1.557
81 HD12 LEU 11 HD12 LEU 11 -1.385 -8.429 -3.165
82 HD13 LEU 11 HD13 LEU 11 -2.510 -8.334 -1.809
83 HD21 LEU 11 HD21 LEU 11 -0.663 -7.188 0.281
84 HD22 LEU 11 HD22 LEU 11 -2.256 -6.533 -0.101
85 HD23 LEU 11 HD23 LEU 11 -0.836 -5.487 -0.150
86 H ASP 12 HN ASP 12 2.852 -3.908 -1.632
87 HA ASP 12 HA ASP 12 4.592 -4.364 -3.911
88 HB2 ASP 12 HB2 ASP 12 4.232 -2.149 -2.573
89 HB3 ASP 12 HB1 ASP 12 5.435 -2.826 -1.481
90 H GLU 13 HN GLU 13 5.371 -4.521 -0.395
91 HA GLU 13 HA GLU 13 6.979 -6.902 -0.986
92 HB2 GLU 13 HB2 GLU 13 8.015 -4.511 -0.263
93 HB3 GLU 13 HB1 GLU 13 7.793 -5.252 1.316
94 HG2 GLU 13 HG2 GLU 13 9.092 -7.192 0.562
95 HG3 GLU 13 HG1 GLU 13 9.355 -6.388 -0.984
96 H TYR 14 HN TYR 14 5.774 -5.224 1.885
97 HA TYR 14 HA TYR 14 5.244 -7.754 3.213
98 HB2 TYR 14 HB2 TYR 14 5.075 -4.890 4.149
99 HB3 TYR 14 HB1 TYR 14 4.607 -6.259 5.152
100 HD1 TYR 14 HD1 TYR 14 7.411 -4.461 3.631
101 HD2 TYR 14 HD2 TYR 14 6.284 -7.767 6.059
102 HE1 TYR 14 HE1 TYR 14 9.745 -4.713 4.361
103 HE2 TYR 14 HE2 TYR 14 8.615 -8.028 6.797
104 HH TYR 14 HH TYR 14 10.872 -7.458 6.005
105 H GLY 15 HN GLY 15 3.529 -5.303 1.529
106 HA2 GLY 15 HA2 GLY 15 1.335 -6.040 0.659
107 HA3 GLY 15 HA1 GLY 15 0.964 -6.548 2.297
108 H CYS 16 HN CYS 16 2.692 -3.586 1.789
109 HA CYS 16 HA CYS 16 0.229 -2.034 2.182
110 HB2 CYS 16 HB2 CYS 16 2.135 -2.414 4.162
111 HB3 CYS 16 HB1 CYS 16 2.553 -0.845 3.484
112 H ILE 17 HN ILE 17 -0.005 -0.458 0.794
113 HA ILE 17 HA ILE 17 2.317 0.848 -0.386
114 HB ILE 17 HB ILE 17 1.459 -1.023 -1.884
115 HG12 ILE 17 HG12 ILE 17 1.466 1.774 -3.056
116 HG13 ILE 17 HG11 ILE 17 2.893 0.823 -2.687
117 HG21 ILE 17 HG21 ILE 17 -0.516 -0.579 -3.277
118 HG22 ILE 17 HG22 ILE 17 -0.874 0.844 -2.299
119 HG23 ILE 17 HG23 ILE 17 -0.928 -0.762 -1.572
120 HD11 ILE 17 HD11 ILE 17 2.230 -0.829 -4.363
121 HD12 ILE 17 HD12 ILE 17 2.385 0.782 -5.065
122 HD13 ILE 17 HD13 ILE 17 0.787 0.119 -4.723
123 H ARG 18 HN ARG 18 0.488 2.299 -2.249
124 HA ARG 18 HA ARG 18 0.010 4.643 -0.856
125 HB2 ARG 18 HB2 ARG 18 0.190 4.156 -3.375
126 HB3 ARG 18 HB1 ARG 18 -1.523 3.777 -3.299
127 HG2 ARG 18 HG2 ARG 18 -1.775 6.132 -2.263
128 HG3 ARG 18 HG1 ARG 18 -0.161 6.420 -2.915
129 HD2 ARG 18 HD2 ARG 18 -1.774 7.187 -4.516
130 HD3 ARG 18 HD1 ARG 18 -1.006 5.734 -5.151
131 HE ARG 18 HE ARG 18 -3.164 4.670 -4.050
132 HH11 ARG 18 HH11 ARG 18 -2.934 7.572 -6.018
133 HH12 ARG 18 HH12 ARG 18 -4.540 7.410 -6.648
134 HH21 ARG 18 HH21 ARG 18 -5.263 4.482 -4.885
135 HH22 ARG 18 HH22 ARG 18 -5.857 5.662 -6.006
136 H CYS 19 HN CYS 19 -1.847 1.786 -0.774
137 HA CYS 19 HA CYS 19 -3.998 3.124 0.642
138 HB2 CYS 19 HB2 CYS 19 -4.673 1.112 -1.489
139 HB3 CYS 19 HB1 CYS 19 -5.759 2.210 -0.648
140 H CYS 20 HN CYS 20 -2.892 -0.022 -0.526
141 HA CYS 20 HA CYS 20 -4.066 -1.497 1.630
142 HB2 CYS 20 HB2 CYS 20 -3.263 -2.161 -0.875
143 HB3 CYS 20 HB1 CYS 20 -1.911 -2.769 0.064
Start of MODEL 20
1 H1 TYR 1 HT1 TYR 1 7.400 2.546 -2.923
2 H2 TYR 1 HT2 TYR 1 7.335 0.856 -2.893
3 H3 TYR 1 HT3 TYR 1 7.639 1.715 -1.468
4 HA TYR 1 HA TYR 1 5.144 1.843 -3.048
5 HB2 TYR 1 HB2 TYR 1 4.229 0.699 -0.867
6 HB3 TYR 1 HB1 TYR 1 5.012 -0.286 -2.087
7 HD1 TYR 1 HD1 TYR 1 5.196 0.995 1.324
8 HD2 TYR 1 HD2 TYR 1 7.272 -1.192 -1.678
9 HE1 TYR 1 HE1 TYR 1 6.748 0.142 3.026
10 HE2 TYR 1 HE2 TYR 1 8.828 -2.052 0.018
11 HH TYR 1 HH TYR 1 9.652 -1.427 2.249
12 H GLU 2 HN GLU 2 4.429 2.011 0.176
13 HA GLU 2 HA GLU 2 4.854 4.900 0.420
14 HB2 GLU 2 HB2 GLU 2 2.523 4.103 -0.587
15 HB3 GLU 2 HB1 GLU 2 2.147 3.807 1.101
16 HG2 GLU 2 HG2 GLU 2 1.309 5.937 0.672
17 HG3 GLU 2 HG1 GLU 2 2.831 6.229 1.510
18 H THR 3 HN THR 3 3.236 5.205 2.751
19 HA THR 3 HA THR 3 4.345 3.327 4.701
20 HB THR 3 HB THR 3 4.737 5.426 6.190
21 HG1 THR 3 HG1 THR 3 5.441 6.708 3.802
22 HG21 THR 3 HG21 THR 3 6.528 3.909 5.465
23 HG22 THR 3 HG22 THR 3 7.071 5.585 5.391
24 HG23 THR 3 HG23 THR 3 6.618 4.740 3.912
25 H GLY 4 HN GLY 4 2.118 5.900 3.961
26 HA2 GLY 4 HA2 GLY 4 0.597 5.840 6.355
27 HA3 GLY 4 HA1 GLY 4 0.091 6.548 4.833
28 H CYS 5 HN CYS 5 -0.139 4.474 3.120
29 HA CYS 5 HA CYS 5 -1.592 2.894 2.398
30 HB2 CYS 5 HB2 CYS 5 -1.131 1.671 5.132
31 HB3 CYS 5 HB1 CYS 5 -1.781 0.837 3.725
32 H LYS 6 HN LYS 6 -3.475 3.881 2.062
33 HA LYS 6 HA LYS 6 -5.275 4.614 4.169
34 HB2 LYS 6 HB2 LYS 6 -4.865 5.700 1.807
35 HB3 LYS 6 HB1 LYS 6 -6.111 4.568 1.303
36 HG2 LYS 6 HG2 LYS 6 -7.649 5.527 2.947
37 HG3 LYS 6 HG1 LYS 6 -6.396 6.662 3.453
38 HD2 LYS 6 HD2 LYS 6 -6.349 7.611 1.194
39 HD3 LYS 6 HD1 LYS 6 -7.601 6.474 0.691
40 HE2 LYS 6 HE2 LYS 6 -8.717 8.505 1.133
41 HE3 LYS 6 HE1 LYS 6 -9.046 7.466 2.518
42 HZ1 LYS 6 HZ1 LYS 6 -8.486 9.710 3.210
43 HZ2 LYS 6 HZ2 LYS 6 -6.997 9.616 2.415
44 HZ3 LYS 6 HZ3 LYS 6 -7.309 8.620 3.745
45 H ARG 7 HN ARG 7 -6.327 2.852 1.303
46 HA ARG 7 HA ARG 7 -7.757 0.965 3.048
47 HB2 ARG 7 HB2 ARG 7 -9.266 2.443 1.807
48 HB3 ARG 7 HB1 ARG 7 -8.520 1.965 0.291
49 HG2 ARG 7 HG2 ARG 7 -9.486 -0.147 0.333
50 HG3 ARG 7 HG1 ARG 7 -9.816 -0.066 2.065
51 HD2 ARG 7 HD2 ARG 7 -11.501 1.673 1.653
52 HD3 ARG 7 HD1 ARG 7 -11.168 1.580 -0.076
53 HE ARG 7 HE ARG 7 -11.838 -0.981 0.804
54 HH11 ARG 7 HH11 ARG 7 -13.416 2.136 0.439
55 HH12 ARG 7 HH12 ARG 7 -14.985 1.442 0.197
56 HH21 ARG 7 HH21 ARG 7 -13.901 -1.866 0.486
57 HH22 ARG 7 HH22 ARG 7 -15.257 -0.822 0.223
58 H CYS 8 HN CYS 8 -7.725 0.326 -0.345
59 HA CYS 8 HA CYS 8 -5.442 -1.456 -0.149
60 HB2 CYS 8 HB2 CYS 8 -7.483 -2.793 0.468
61 HB3 CYS 8 HB1 CYS 8 -8.075 -2.515 -1.168
62 H CYS 9 HN CYS 9 -4.178 -0.957 -1.744
63 HA CYS 9 HA CYS 9 -5.344 -0.330 -4.358
64 HB2 CYS 9 HB2 CYS 9 -3.198 1.037 -2.807
65 HB3 CYS 9 HB1 CYS 9 -3.066 1.009 -4.562
66 H TYR 10 HN TYR 10 -2.398 -1.473 -2.783
67 HA TYR 10 HA TYR 10 -2.099 -3.678 -4.584
68 HB2 TYR 10 HB2 TYR 10 -0.892 -1.208 -5.352
69 HB3 TYR 10 HB1 TYR 10 0.392 -2.326 -4.905
70 HD1 TYR 10 HD1 TYR 10 -2.279 -1.605 -7.277
71 HD2 TYR 10 HD2 TYR 10 0.743 -4.381 -6.161
72 HE1 TYR 10 HE1 TYR 10 -2.477 -2.694 -9.477
73 HE2 TYR 10 HE2 TYR 10 0.556 -5.480 -8.358
74 HH TYR 10 HH TYR 10 -1.097 -5.718 -10.162
75 H LEU 11 HN LEU 11 0.106 -4.784 -4.224
76 HA LEU 11 HA LEU 11 1.045 -4.409 -1.463
77 HB2 LEU 11 HB2 LEU 11 0.547 -7.076 -2.793
78 HB3 LEU 11 HB1 LEU 11 1.125 -6.825 -1.158
79 HG LEU 11 HG LEU 11 -1.242 -5.415 -1.189
80 HD11 LEU 11 HD11 LEU 11 -1.805 -6.305 -3.375
81 HD12 LEU 11 HD12 LEU 11 -2.907 -6.910 -2.138
82 HD13 LEU 11 HD13 LEU 11 -1.627 -7.949 -2.764
83 HD21 LEU 11 HD21 LEU 11 -0.669 -6.709 0.676
84 HD22 LEU 11 HD22 LEU 11 -0.532 -8.186 -0.276
85 HD23 LEU 11 HD23 LEU 11 -2.117 -7.478 0.033
86 H ASP 12 HN ASP 12 3.086 -3.746 -1.632
87 HA ASP 12 HA ASP 12 4.691 -4.563 -3.917
88 HB2 ASP 12 HB2 ASP 12 5.144 -2.576 -1.706
89 HB3 ASP 12 HB1 ASP 12 6.408 -2.998 -2.857
90 H GLU 13 HN GLU 13 5.309 -4.596 -0.370
91 HA GLU 13 HA GLU 13 7.023 -6.932 -0.825
92 HB2 GLU 13 HB2 GLU 13 7.944 -4.521 -0.027
93 HB3 GLU 13 HB1 GLU 13 7.606 -5.261 1.533
94 HG2 GLU 13 HG2 GLU 13 9.003 -7.175 0.899
95 HG3 GLU 13 HG1 GLU 13 9.377 -6.372 -0.625
96 H TYR 14 HN TYR 14 5.820 -5.354 2.088
97 HA TYR 14 HA TYR 14 5.029 -7.913 3.206
98 HB2 TYR 14 HB2 TYR 14 5.088 -5.123 4.357
99 HB3 TYR 14 HB1 TYR 14 4.493 -6.519 5.246
100 HD1 TYR 14 HD1 TYR 14 7.459 -4.850 3.902
101 HD2 TYR 14 HD2 TYR 14 6.024 -8.229 6.050
102 HE1 TYR 14 HE1 TYR 14 9.753 -5.350 4.634
103 HE2 TYR 14 HE2 TYR 14 8.314 -8.739 6.790
104 HH TYR 14 HH TYR 14 10.622 -8.297 6.071
105 H GLY 15 HN GLY 15 3.589 -5.229 1.636
106 HA2 GLY 15 HA2 GLY 15 1.362 -5.659 0.687
107 HA3 GLY 15 HA1 GLY 15 0.905 -6.300 2.257
108 H CYS 16 HN CYS 16 2.736 -3.356 1.516
109 HA CYS 16 HA CYS 16 0.465 -1.724 2.362
110 HB2 CYS 16 HB2 CYS 16 2.373 -2.336 4.197
111 HB3 CYS 16 HB1 CYS 16 3.053 -0.866 3.505
112 H ILE 17 HN ILE 17 0.127 -0.339 0.839
113 HA ILE 17 HA ILE 17 2.332 1.231 -0.276
114 HB ILE 17 HB ILE 17 1.648 -0.657 -1.838
115 HG12 ILE 17 HG12 ILE 17 1.437 2.206 -2.817
116 HG13 ILE 17 HG11 ILE 17 2.908 1.271 -2.629
117 HG21 ILE 17 HG21 ILE 17 -0.387 -0.368 -3.190
118 HG22 ILE 17 HG22 ILE 17 -0.871 0.976 -2.157
119 HG23 ILE 17 HG23 ILE 17 -0.751 -0.650 -1.487
120 HD11 ILE 17 HD11 ILE 17 2.182 -0.230 -4.422
121 HD12 ILE 17 HD12 ILE 17 2.261 1.446 -4.966
122 HD13 ILE 17 HD13 ILE 17 0.700 0.710 -4.604
123 H ARG 18 HN ARG 18 0.364 2.607 -2.086
124 HA ARG 18 HA ARG 18 -0.318 4.828 -0.597
125 HB2 ARG 18 HB2 ARG 18 -0.226 4.470 -3.140
126 HB3 ARG 18 HB1 ARG 18 -1.880 3.897 -2.999
127 HG2 ARG 18 HG2 ARG 18 -2.357 6.154 -1.862
128 HG3 ARG 18 HG1 ARG 18 -0.804 6.657 -2.532
129 HD2 ARG 18 HD2 ARG 18 -2.523 7.315 -4.063
130 HD3 ARG 18 HD1 ARG 18 -1.631 5.976 -4.783
131 HE ARG 18 HE ARG 18 -3.641 4.655 -3.678
132 HH11 ARG 18 HH11 ARG 18 -3.752 7.639 -5.529
133 HH12 ARG 18 HH12 ARG 18 -5.349 7.342 -6.129
134 HH21 ARG 18 HH21 ARG 18 -5.731 4.289 -4.474
135 HH22 ARG 18 HH22 ARG 18 -6.468 5.447 -5.531
136 H CYS 19 HN CYS 19 -1.943 1.814 -0.786
137 HA CYS 19 HA CYS 19 -4.043 2.742 0.995
138 HB2 CYS 19 HB2 CYS 19 -4.802 0.988 -1.320
139 HB3 CYS 19 HB1 CYS 19 -5.843 1.956 -0.285
140 H CYS 20 HN CYS 20 -3.819 -0.330 -0.728
141 HA CYS 20 HA CYS 20 -4.048 -1.941 1.536
142 HB2 CYS 20 HB2 CYS 20 -3.919 -2.408 -1.228
143 HB3 CYS 20 HB1 CYS 20 -2.586 -3.326 -0.546