NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
584211 |
2mix   |
19697 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 HT1 THR 1 0.825 -5.202 1.258
2 H2 THR 1 HT2 THR 1 1.250 -6.805 0.956
3 H3 THR 1 HT3 THR 1 -0.349 -6.414 1.329
4 HA THR 1 HA THR 1 1.120 -5.568 -1.077
5 HB THR 1 HB THR 1 -0.747 -7.014 -2.162
6 HG1 THR 1 HG1 THR 1 -0.472 -8.513 0.197
7 HG21 THR 1 HG21 THR 1 0.709 -8.984 -2.079
8 HG22 THR 1 HG22 THR 1 1.582 -8.285 -0.714
9 HG23 THR 1 HG23 THR 1 1.653 -7.511 -2.296
10 H ARG 2 HN ARG 2 -2.167 -5.888 0.275
11 HA ARG 2 HA ARG 2 -2.910 -3.408 -1.065
12 HB2 ARG 2 HB2 ARG 2 -3.968 -5.745 -1.658
13 HB3 ARG 2 HB1 ARG 2 -4.921 -5.432 -0.224
14 HG2 ARG 2 HG2 ARG 2 -6.192 -4.629 -2.018
15 HG3 ARG 2 HG1 ARG 2 -5.504 -3.222 -1.229
16 HD2 ARG 2 HD2 ARG 2 -5.171 -2.864 -3.521
17 HD3 ARG 2 HD1 ARG 2 -3.631 -3.369 -2.827
18 HE ARG 2 HE ARG 2 -5.174 -5.527 -3.937
19 HH11 ARG 2 HH11 ARG 2 -2.766 -3.072 -4.594
20 HH12 ARG 2 HH12 ARG 2 -2.117 -3.903 -5.972
21 HH21 ARG 2 HH21 ARG 2 -4.350 -6.601 -5.763
22 HH22 ARG 2 HH22 ARG 2 -3.024 -5.910 -6.644
23 H ILE 3 HN ILE 3 -1.736 -3.395 1.576
24 HA ILE 3 HA ILE 3 -3.531 -3.609 3.681
25 HB ILE 3 HB ILE 3 -1.260 -1.638 3.594
26 HG12 ILE 3 HG12 ILE 3 -1.131 -4.524 4.466
27 HG13 ILE 3 HG11 ILE 3 -0.632 -3.953 2.888
28 HG21 ILE 3 HG21 ILE 3 -2.737 -1.410 5.516
29 HG22 ILE 3 HG22 ILE 3 -1.158 -2.031 5.998
30 HG23 ILE 3 HG23 ILE 3 -2.534 -3.123 5.879
31 HD11 ILE 3 HD11 ILE 3 1.232 -4.273 4.480
32 HD12 ILE 3 HD12 ILE 3 0.549 -2.979 5.465
33 HD13 ILE 3 HD13 ILE 3 1.121 -2.637 3.830
34 H CYS 4 HN CYS 4 -5.459 -2.750 3.227
35 HA CYS 4 HA CYS 4 -7.148 -1.222 2.981
36 HB2 CYS 4 HB2 CYS 4 -5.936 -0.975 5.439
37 HB3 CYS 4 HB1 CYS 4 -6.007 0.693 4.865
38 H CYS 5 HN CYS 5 -7.323 1.482 3.423
39 HA CYS 5 HA CYS 5 -5.947 2.600 1.113
40 HB2 CYS 5 HB2 CYS 5 -8.166 3.611 2.859
41 HB3 CYS 5 HB1 CYS 5 -7.510 4.517 1.502
42 H GLY 6 HN GLY 6 -4.877 4.634 1.235
43 HA2 GLY 6 HA2 GLY 6 -3.889 6.363 2.703
44 HA3 GLY 6 HA1 GLY 6 -3.623 5.070 3.872
45 H CYS 7 HN CYS 7 -1.383 5.107 3.929
46 HA CYS 7 HA CYS 7 -0.186 4.006 1.500
47 HB2 CYS 7 HB2 CYS 7 0.289 6.541 1.859
48 HB3 CYS 7 HB1 CYS 7 1.367 5.973 3.129
49 H TYR 8 HN TYR 8 1.130 2.358 1.842
50 HA TYR 8 HA TYR 8 1.946 1.731 4.587
51 HB2 TYR 8 HB2 TYR 8 1.484 -0.681 3.977
52 HB3 TYR 8 HB1 TYR 8 0.072 0.321 4.249
53 HD1 TYR 8 HD2 TYR 8 2.229 -0.995 1.488
54 HD2 TYR 8 HD1 TYR 8 -1.613 0.351 2.692
55 HE1 TYR 8 HE2 TYR 8 1.313 -1.658 -0.695
56 HE2 TYR 8 HE1 TYR 8 -2.541 -0.317 0.533
57 HH TYR 8 HH TYR 8 -0.886 -2.274 -1.657
58 H TRP 9 HN TRP 9 3.712 0.149 4.674
59 HA TRP 9 HA TRP 9 5.554 0.636 2.457
60 HB2 TRP 9 HB2 TRP 9 6.397 1.114 4.729
61 HB3 TRP 9 HB1 TRP 9 6.111 -0.565 5.183
62 HD1 TRP 9 HD1 TRP 9 7.793 -2.396 4.240
63 HE1 TRP 9 HE1 TRP 9 10.128 -2.238 3.164
64 HE3 TRP 9 HE3 TRP 9 7.880 2.612 3.255
65 HZ2 TRP 9 HZ2 TRP 9 11.791 -0.229 2.072
66 HZ3 TRP 9 HZ3 TRP 9 9.873 3.575 2.199
67 HH2 TRP 9 HH2 TRP 9 11.781 2.184 1.623
68 H ASN 10 HN ASN 10 5.019 -0.810 0.889
69 HA ASN 10 HA ASN 10 4.865 -3.634 1.640
70 HB2 ASN 10 HB2 ASN 10 3.125 -2.632 0.118
71 HB3 ASN 10 HB1 ASN 10 4.390 -2.417 -1.087
72 HD21 ASN 10 HD21 ASN 10 5.205 -4.215 -2.159
73 HD22 ASN 10 HD22 ASN 10 4.437 -5.761 -2.084
74 H GLY 11 HN GLY 11 7.064 -3.879 2.123
75 HA2 GLY 11 HA2 GLY 11 9.012 -4.944 1.581
76 HA3 GLY 11 HA1 GLY 11 8.457 -5.005 -0.074
77 H SER 12 HN SER 12 8.665 -2.881 -1.295
78 HA SER 12 HA SER 12 11.468 -2.160 -0.912
79 HB2 SER 12 HB2 SER 12 11.250 -1.436 -3.342
80 HB3 SER 12 HB1 SER 12 11.064 -3.161 -3.019
81 HG SER 12 HG SER 12 9.421 -2.439 -4.398
82 H LYS 13 HN LYS 13 8.299 -0.661 -1.105
83 HA LYS 13 HA LYS 13 9.412 1.887 -0.358
84 HB2 LYS 13 HB2 LYS 13 8.326 3.068 -2.318
85 HB3 LYS 13 HB1 LYS 13 9.789 2.170 -2.676
86 HG2 LYS 13 HG2 LYS 13 8.564 1.425 -4.412
87 HG3 LYS 13 HG1 LYS 13 7.951 0.291 -3.208
88 HD2 LYS 13 HD2 LYS 13 6.075 1.211 -4.333
89 HD3 LYS 13 HD1 LYS 13 6.149 1.895 -2.712
90 HE2 LYS 13 HE2 LYS 13 7.198 3.919 -3.620
91 HE3 LYS 13 HE1 LYS 13 7.091 3.236 -5.240
92 HZ1 LYS 13 HZ1 LYS 13 4.797 3.893 -3.469
93 HZ2 LYS 13 HZ2 LYS 13 4.677 3.209 -5.014
94 HZ3 LYS 13 HZ3 LYS 13 5.290 4.772 -4.827
95 H ASP 14 HN ASP 14 7.727 3.563 -0.143
96 HA ASP 14 HA ASP 14 5.416 2.589 1.197
97 HB2 ASP 14 HB2 ASP 14 6.095 5.378 0.228
98 HB3 ASP 14 HB1 ASP 14 4.738 4.986 1.275
99 H VAL 15 HN VAL 15 3.733 1.745 0.194
100 HA VAL 15 HA VAL 15 3.042 2.705 -2.490
101 HB VAL 15 HB VAL 15 2.192 0.124 -1.164
102 HG11 VAL 15 HG11 VAL 15 0.595 0.929 -2.815
103 HG12 VAL 15 HG12 VAL 15 1.427 -0.511 -3.402
104 HG13 VAL 15 HG13 VAL 15 1.886 1.080 -4.008
105 HG21 VAL 15 HG21 VAL 15 3.735 -0.985 -2.717
106 HG22 VAL 15 HG22 VAL 15 4.581 0.088 -1.601
107 HG23 VAL 15 HG23 VAL 15 4.300 0.592 -3.268
108 H CYS 16 HN CYS 16 1.665 4.307 -2.202
109 HA CYS 16 HA CYS 16 -0.536 4.003 -0.294
110 HB2 CYS 16 HB2 CYS 16 -0.365 6.434 -1.959
111 HB3 CYS 16 HB1 CYS 16 -0.715 6.271 -0.248
112 H SER 17 HN SER 17 -2.665 3.905 -0.899
113 HA SER 17 HA SER 17 -3.674 4.262 -3.492
114 HB2 SER 17 HB2 SER 17 -4.017 1.838 -4.094
115 HB3 SER 17 HB1 SER 17 -2.340 2.377 -4.176
116 HG SER 17 HG SER 17 -2.137 1.503 -2.000
117 H GLN 18 HN GLN 18 -5.795 2.753 -3.710
118 HA GLN 18 HA GLN 18 -7.166 2.995 -1.121
119 HB2 GLN 18 HB2 GLN 18 -8.322 3.213 -3.908
120 HB3 GLN 18 HB1 GLN 18 -9.227 3.354 -2.408
121 HG2 GLN 18 HG2 GLN 18 -7.951 5.302 -1.791
122 HG3 GLN 18 HG1 GLN 18 -7.021 5.188 -3.282
123 HE21 GLN 18 HE21 GLN 18 -8.672 7.363 -2.308
124 HE22 GLN 18 HE22 GLN 18 -9.886 7.632 -3.507
125 H SER 19 HN SER 19 -6.580 0.914 -0.500
126 HA SER 19 HA SER 19 -7.343 -1.440 -1.988
127 HB2 SER 19 HB2 SER 19 -6.459 -1.067 0.850
128 HB3 SER 19 HB1 SER 19 -6.552 -2.599 -0.005
129 HG SER 19 HG SER 19 -4.604 -0.720 -0.037
130 H CYS 20 HN CYS 20 -8.513 0.248 0.939
131 HA CYS 20 HA CYS 20 -10.708 -1.676 1.094
132 HB2 CYS 20 HB2 CYS 20 -10.914 -1.030 3.470
133 HB3 CYS 20 HB1 CYS 20 -9.350 -1.725 3.074
134 H CYS 21 HN CYS 21 -10.797 0.566 -0.690
135 HA CYS 21 HA CYS 21 -13.003 2.082 0.525
136 HB2 CYS 21 HB2 CYS 21 -10.895 3.179 -1.347
137 HB3 CYS 21 HB1 CYS 21 -12.270 4.075 -0.713
Start of MODEL 2
1 H1 THR 1 HT1 THR 1 1.641 -7.008 -1.343
2 H2 THR 1 HT2 THR 1 1.651 -5.325 -1.177
3 H3 THR 1 HT3 THR 1 0.674 -6.055 -2.350
4 HA THR 1 HA THR 1 -0.655 -7.101 -0.675
5 HB THR 1 HB THR 1 0.913 -7.454 1.077
6 HG1 THR 1 HG1 THR 1 -0.393 -6.948 2.724
7 HG21 THR 1 HG21 THR 1 2.403 -5.572 0.687
8 HG22 THR 1 HG22 THR 1 1.914 -5.626 2.380
9 HG23 THR 1 HG23 THR 1 1.178 -4.455 1.287
10 H ARG 2 HN ARG 2 -2.557 -6.128 -0.529
11 HA ARG 2 HA ARG 2 -2.758 -3.345 -1.185
12 HB2 ARG 2 HB2 ARG 2 -4.036 -5.255 -2.325
13 HB3 ARG 2 HB1 ARG 2 -5.007 -5.314 -0.874
14 HG2 ARG 2 HG2 ARG 2 -6.149 -4.020 -2.568
15 HG3 ARG 2 HG1 ARG 2 -5.673 -2.995 -1.223
16 HD2 ARG 2 HD2 ARG 2 -5.150 -1.850 -3.242
17 HD3 ARG 2 HD1 ARG 2 -3.679 -2.376 -2.441
18 HE ARG 2 HE ARG 2 -4.829 -3.797 -4.743
19 HH11 ARG 2 HH11 ARG 2 -2.042 -2.529 -3.011
20 HH12 ARG 2 HH12 ARG 2 -0.907 -3.086 -4.200
21 HH21 ARG 2 HH21 ARG 2 -3.331 -4.525 -6.287
22 HH22 ARG 2 HH22 ARG 2 -1.639 -4.224 -6.056
23 H ILE 3 HN ILE 3 -1.899 -3.961 1.528
24 HA ILE 3 HA ILE 3 -3.818 -4.193 3.452
25 HB ILE 3 HB ILE 3 -1.981 -2.379 4.523
26 HG12 ILE 3 HG12 ILE 3 -0.637 -4.374 2.714
27 HG13 ILE 3 HG11 ILE 3 -0.741 -2.651 2.415
28 HG21 ILE 3 HG21 ILE 3 -1.993 -5.380 4.539
29 HG22 ILE 3 HG22 ILE 3 -2.868 -4.327 5.651
30 HG23 ILE 3 HG23 ILE 3 -1.105 -4.351 5.660
31 HD11 ILE 3 HD11 ILE 3 1.430 -3.108 3.279
32 HD12 ILE 3 HD12 ILE 3 0.753 -4.035 4.621
33 HD13 ILE 3 HD13 ILE 3 0.515 -2.290 4.549
34 H CYS 4 HN CYS 4 -5.607 -3.176 3.169
35 HA CYS 4 HA CYS 4 -7.194 -1.574 2.929
36 HB2 CYS 4 HB2 CYS 4 -5.919 -1.395 5.461
37 HB3 CYS 4 HB1 CYS 4 -6.451 0.219 4.972
38 H CYS 5 HN CYS 5 -7.343 1.098 3.581
39 HA CYS 5 HA CYS 5 -6.159 2.178 1.159
40 HB2 CYS 5 HB2 CYS 5 -8.596 2.191 1.378
41 HB3 CYS 5 HB1 CYS 5 -8.448 3.113 2.863
42 H GLY 6 HN GLY 6 -4.729 3.739 1.200
43 HA2 GLY 6 HA2 GLY 6 -4.108 5.848 2.593
44 HA3 GLY 6 HA1 GLY 6 -3.761 4.626 3.817
45 H CYS 7 HN CYS 7 -1.499 5.303 3.710
46 HA CYS 7 HA CYS 7 -0.205 4.192 1.319
47 HB2 CYS 7 HB2 CYS 7 1.036 6.201 3.194
48 HB3 CYS 7 HB1 CYS 7 1.637 5.693 1.625
49 H TYR 8 HN TYR 8 0.902 2.388 1.625
50 HA TYR 8 HA TYR 8 1.787 1.766 4.353
51 HB2 TYR 8 HB2 TYR 8 1.444 -0.661 3.640
52 HB3 TYR 8 HB1 TYR 8 0.007 0.272 4.012
53 HD1 TYR 8 HD2 TYR 8 2.124 -0.310 0.970
54 HD2 TYR 8 HD1 TYR 8 -1.769 -0.266 2.672
55 HE1 TYR 8 HE2 TYR 8 1.168 -0.938 -1.212
56 HE2 TYR 8 HE1 TYR 8 -2.737 -0.895 0.508
57 HH TYR 8 HH TYR 8 -1.799 -0.526 -2.106
58 H TRP 9 HN TRP 9 3.631 0.336 4.490
59 HA TRP 9 HA TRP 9 5.516 0.878 2.352
60 HB2 TRP 9 HB2 TRP 9 6.248 1.227 4.681
61 HB3 TRP 9 HB1 TRP 9 5.964 -0.478 5.020
62 HD1 TRP 9 HD1 TRP 9 7.793 -2.190 4.263
63 HE1 TRP 9 HE1 TRP 9 10.120 -1.967 3.197
64 HE3 TRP 9 HE3 TRP 9 7.640 2.767 3.047
65 HZ2 TRP 9 HZ2 TRP 9 11.689 0.067 2.019
66 HZ3 TRP 9 HZ3 TRP 9 9.591 3.771 1.951
67 HH2 TRP 9 HH2 TRP 9 11.571 2.451 1.458
68 H ASN 10 HN ASN 10 5.166 -0.450 0.688
69 HA ASN 10 HA ASN 10 4.806 -3.302 1.141
70 HB2 ASN 10 HB2 ASN 10 3.443 -2.046 -0.558
71 HB3 ASN 10 HB1 ASN 10 4.919 -1.794 -1.482
72 HD21 ASN 10 HD21 ASN 10 5.922 -3.583 -2.470
73 HD22 ASN 10 HD22 ASN 10 5.044 -5.042 -2.777
74 H GLY 11 HN GLY 11 6.888 -3.761 1.979
75 HA2 GLY 11 HA2 GLY 11 8.829 -4.927 1.665
76 HA3 GLY 11 HA1 GLY 11 8.572 -4.798 -0.059
77 H SER 12 HN SER 12 9.309 -2.795 -1.117
78 HA SER 12 HA SER 12 11.679 -1.760 0.281
79 HB2 SER 12 HB2 SER 12 11.340 -2.286 -2.678
80 HB3 SER 12 HB1 SER 12 12.801 -1.718 -1.881
81 HG SER 12 HG SER 12 12.929 -3.682 -0.779
82 H LYS 13 HN LYS 13 8.719 -0.788 -0.559
83 HA LYS 13 HA LYS 13 9.522 1.975 -0.864
84 HB2 LYS 13 HB2 LYS 13 7.984 2.252 -2.864
85 HB3 LYS 13 HB1 LYS 13 9.560 1.511 -3.156
86 HG2 LYS 13 HG2 LYS 13 8.634 -0.601 -3.468
87 HG3 LYS 13 HG1 LYS 13 7.131 -0.158 -2.651
88 HD2 LYS 13 HD2 LYS 13 6.711 -0.254 -5.000
89 HD3 LYS 13 HD1 LYS 13 6.669 1.420 -4.446
90 HE2 LYS 13 HE2 LYS 13 7.842 1.242 -6.571
91 HE3 LYS 13 HE1 LYS 13 8.916 1.777 -5.286
92 HZ1 LYS 13 HZ1 LYS 13 9.870 -0.389 -5.148
93 HZ2 LYS 13 HZ2 LYS 13 9.881 0.065 -6.777
94 HZ3 LYS 13 HZ3 LYS 13 8.729 -1.037 -6.215
95 H ASP 14 HN ASP 14 7.977 3.443 -0.324
96 HA ASP 14 HA ASP 14 5.619 2.498 1.029
97 HB2 ASP 14 HB2 ASP 14 6.806 4.473 1.879
98 HB3 ASP 14 HB1 ASP 14 6.529 5.310 0.356
99 H VAL 15 HN VAL 15 3.763 2.097 0.073
100 HA VAL 15 HA VAL 15 3.266 3.235 -2.585
101 HB VAL 15 HB VAL 15 2.576 0.438 -1.657
102 HG11 VAL 15 HG11 VAL 15 2.164 1.770 -4.330
103 HG12 VAL 15 HG12 VAL 15 0.902 1.340 -3.177
104 HG13 VAL 15 HG13 VAL 15 1.843 0.074 -3.966
105 HG21 VAL 15 HG21 VAL 15 4.185 -0.309 -3.350
106 HG22 VAL 15 HG22 VAL 15 4.955 0.661 -2.095
107 HG23 VAL 15 HG23 VAL 15 4.615 1.369 -3.674
108 H CYS 16 HN CYS 16 1.613 4.536 -2.437
109 HA CYS 16 HA CYS 16 -0.407 4.068 -0.400
110 HB2 CYS 16 HB2 CYS 16 0.688 6.389 -1.176
111 HB3 CYS 16 HB1 CYS 16 -0.701 6.344 -2.256
112 H SER 17 HN SER 17 -2.458 3.523 -0.757
113 HA SER 17 HA SER 17 -3.468 3.212 -3.458
114 HB2 SER 17 HB2 SER 17 -3.093 0.801 -1.661
115 HB3 SER 17 HB1 SER 17 -3.881 0.803 -3.237
116 HG SER 17 HG SER 17 -1.524 1.890 -3.606
117 H GLN 18 HN GLN 18 -5.712 2.782 -3.527
118 HA GLN 18 HA GLN 18 -7.096 3.218 -0.965
119 HB2 GLN 18 HB2 GLN 18 -8.024 3.619 -3.827
120 HB3 GLN 18 HB1 GLN 18 -9.012 3.895 -2.405
121 HG2 GLN 18 HG2 GLN 18 -7.545 5.628 -1.658
122 HG3 GLN 18 HG1 GLN 18 -6.456 5.339 -3.009
123 HE21 GLN 18 HE21 GLN 18 -6.641 7.413 -3.787
124 HE22 GLN 18 HE22 GLN 18 -8.076 8.001 -4.554
125 H SER 19 HN SER 19 -6.696 1.019 -0.457
126 HA SER 19 HA SER 19 -7.834 -1.141 -1.959
127 HB2 SER 19 HB2 SER 19 -7.016 -1.108 0.918
128 HB3 SER 19 HB1 SER 19 -7.029 -2.471 -0.196
129 HG SER 19 HG SER 19 -4.958 -1.183 0.282
130 H CYS 20 HN CYS 20 -8.533 0.342 1.204
131 HA CYS 20 HA CYS 20 -11.132 -0.975 1.309
132 HB2 CYS 20 HB2 CYS 20 -9.682 0.609 3.442
133 HB3 CYS 20 HB1 CYS 20 -11.142 -0.344 3.673
134 H CYS 21 HN CYS 21 -10.303 1.607 -0.236
135 HA CYS 21 HA CYS 21 -12.401 3.355 0.849
136 HB2 CYS 21 HB2 CYS 21 -10.077 3.915 -0.973
137 HB3 CYS 21 HB1 CYS 21 -11.415 5.040 -0.815
Start of MODEL 3
1 H1 THR 1 HT1 THR 1 1.367 -6.430 -1.744
2 H2 THR 1 HT2 THR 1 1.162 -4.860 -1.155
3 H3 THR 1 HT3 THR 1 0.272 -5.382 -2.492
4 HA THR 1 HA THR 1 -0.901 -6.971 -1.180
5 HB THR 1 HB THR 1 0.740 -7.581 0.442
6 HG1 THR 1 HG1 THR 1 -1.449 -7.694 1.154
7 HG21 THR 1 HG21 THR 1 1.977 -5.531 0.672
8 HG22 THR 1 HG22 THR 1 1.425 -6.044 2.268
9 HG23 THR 1 HG23 THR 1 0.596 -4.735 1.426
10 H ARG 2 HN ARG 2 -2.899 -6.351 -0.740
11 HA ARG 2 HA ARG 2 -3.569 -3.637 -1.129
12 HB2 ARG 2 HB2 ARG 2 -4.688 -5.726 -2.033
13 HB3 ARG 2 HB1 ARG 2 -5.419 -5.899 -0.453
14 HG2 ARG 2 HG2 ARG 2 -6.734 -4.034 -0.706
15 HG3 ARG 2 HG1 ARG 2 -5.722 -3.381 -1.991
16 HD2 ARG 2 HD2 ARG 2 -7.646 -4.192 -3.051
17 HD3 ARG 2 HD1 ARG 2 -6.371 -5.379 -3.300
18 HE ARG 2 HE ARG 2 -7.437 -6.561 -1.313
19 HH11 ARG 2 HH11 ARG 2 -9.246 -4.654 -3.629
20 HH12 ARG 2 HH12 ARG 2 -10.723 -5.527 -3.375
21 HH21 ARG 2 HH21 ARG 2 -9.377 -7.696 -0.975
22 HH22 ARG 2 HH22 ARG 2 -10.805 -7.247 -1.855
23 H ILE 3 HN ILE 3 -2.268 -3.946 1.490
24 HA ILE 3 HA ILE 3 -4.185 -4.083 3.552
25 HB ILE 3 HB ILE 3 -2.210 -2.487 4.578
26 HG12 ILE 3 HG12 ILE 3 -0.963 -4.376 2.599
27 HG13 ILE 3 HG11 ILE 3 -1.030 -2.634 2.424
28 HG21 ILE 3 HG21 ILE 3 -3.081 -4.465 5.630
29 HG22 ILE 3 HG22 ILE 3 -1.323 -4.562 5.532
30 HG23 ILE 3 HG23 ILE 3 -2.321 -5.477 4.405
31 HD11 ILE 3 HD11 ILE 3 1.155 -3.243 3.188
32 HD12 ILE 3 HD12 ILE 3 0.470 -4.181 4.518
33 HD13 ILE 3 HD13 ILE 3 0.310 -2.425 4.505
34 H CYS 4 HN CYS 4 -5.869 -2.850 3.045
35 HA CYS 4 HA CYS 4 -7.235 -1.068 2.901
36 HB2 CYS 4 HB2 CYS 4 -5.577 -0.619 5.330
37 HB3 CYS 4 HB1 CYS 4 -6.836 0.541 4.890
38 H CYS 5 HN CYS 5 -7.183 1.558 3.483
39 HA CYS 5 HA CYS 5 -5.802 2.523 1.103
40 HB2 CYS 5 HB2 CYS 5 -8.060 3.708 2.693
41 HB3 CYS 5 HB1 CYS 5 -7.397 4.402 1.219
42 H GLY 6 HN GLY 6 -4.762 4.541 1.073
43 HA2 GLY 6 HA2 GLY 6 -3.821 6.399 2.395
44 HA3 GLY 6 HA1 GLY 6 -3.576 5.225 3.687
45 H CYS 7 HN CYS 7 -1.351 5.394 3.777
46 HA CYS 7 HA CYS 7 0.037 4.355 1.396
47 HB2 CYS 7 HB2 CYS 7 1.119 6.319 3.425
48 HB3 CYS 7 HB1 CYS 7 1.985 5.695 2.025
49 H TYR 8 HN TYR 8 0.980 2.436 1.741
50 HA TYR 8 HA TYR 8 1.807 1.783 4.483
51 HB2 TYR 8 HB2 TYR 8 1.399 -0.635 3.770
52 HB3 TYR 8 HB1 TYR 8 -0.012 0.342 4.123
53 HD1 TYR 8 HD2 TYR 8 2.092 -0.145 1.055
54 HD2 TYR 8 HD1 TYR 8 -1.768 -0.336 2.815
55 HE1 TYR 8 HE2 TYR 8 1.134 -0.780 -1.124
56 HE2 TYR 8 HE1 TYR 8 -2.737 -0.967 0.653
57 HH TYR 8 HH TYR 8 -2.280 -0.872 -1.671
58 H TRP 9 HN TRP 9 3.707 0.503 4.702
59 HA TRP 9 HA TRP 9 5.557 0.833 2.508
60 HB2 TRP 9 HB2 TRP 9 6.355 1.177 4.815
61 HB3 TRP 9 HB1 TRP 9 5.993 -0.507 5.188
62 HD1 TRP 9 HD1 TRP 9 7.660 -2.347 4.297
63 HE1 TRP 9 HE1 TRP 9 10.001 -2.250 3.236
64 HE3 TRP 9 HE3 TRP 9 7.880 2.661 3.312
65 HZ2 TRP 9 HZ2 TRP 9 11.722 -0.282 2.145
66 HZ3 TRP 9 HZ3 TRP 9 9.904 3.572 2.264
67 HH2 TRP 9 HH2 TRP 9 11.782 2.131 1.699
68 H ASN 10 HN ASN 10 5.008 -0.484 0.873
69 HA ASN 10 HA ASN 10 4.686 -3.335 1.378
70 HB2 ASN 10 HB2 ASN 10 3.117 -2.215 -0.167
71 HB3 ASN 10 HB1 ASN 10 4.465 -1.767 -1.204
72 HD21 ASN 10 HD21 ASN 10 5.451 -3.338 -2.473
73 HD22 ASN 10 HD22 ASN 10 4.728 -4.884 -2.741
74 H GLY 11 HN GLY 11 6.822 -3.795 2.007
75 HA2 GLY 11 HA2 GLY 11 8.778 -4.881 1.560
76 HA3 GLY 11 HA1 GLY 11 8.308 -4.883 -0.121
77 H SER 12 HN SER 12 8.818 -2.920 -1.383
78 HA SER 12 HA SER 12 11.543 -2.164 -0.640
79 HB2 SER 12 HB2 SER 12 11.701 -1.599 -3.109
80 HB3 SER 12 HB1 SER 12 11.435 -3.301 -2.726
81 HG SER 12 HG SER 12 10.050 -2.058 -4.397
82 H LYS 13 HN LYS 13 8.433 -0.772 -0.924
83 HA LYS 13 HA LYS 13 9.515 1.865 -0.514
84 HB2 LYS 13 HB2 LYS 13 8.153 2.794 -2.460
85 HB3 LYS 13 HB1 LYS 13 9.668 1.985 -2.843
86 HG2 LYS 13 HG2 LYS 13 8.173 -0.100 -3.182
87 HG3 LYS 13 HG1 LYS 13 6.863 1.077 -3.313
88 HD2 LYS 13 HD2 LYS 13 9.395 1.093 -4.919
89 HD3 LYS 13 HD1 LYS 13 7.857 0.453 -5.491
90 HE2 LYS 13 HE2 LYS 13 8.345 3.308 -4.639
91 HE3 LYS 13 HE1 LYS 13 8.328 2.745 -6.309
92 HZ1 LYS 13 HZ1 LYS 13 6.044 2.647 -4.415
93 HZ2 LYS 13 HZ2 LYS 13 6.022 2.049 -5.994
94 HZ3 LYS 13 HZ3 LYS 13 6.211 3.706 -5.719
95 H ASP 14 HN ASP 14 7.914 3.467 -0.061
96 HA ASP 14 HA ASP 14 5.587 2.408 1.272
97 HB2 ASP 14 HB2 ASP 14 6.918 4.300 2.210
98 HB3 ASP 14 HB1 ASP 14 6.425 5.286 0.838
99 H VAL 15 HN VAL 15 3.724 2.081 0.269
100 HA VAL 15 HA VAL 15 3.302 3.365 -2.333
101 HB VAL 15 HB VAL 15 2.472 0.578 -1.501
102 HG11 VAL 15 HG11 VAL 15 2.238 1.979 -4.163
103 HG12 VAL 15 HG12 VAL 15 0.907 1.579 -3.076
104 HG13 VAL 15 HG13 VAL 15 1.832 0.292 -3.849
105 HG21 VAL 15 HG21 VAL 15 4.126 -0.216 -3.112
106 HG22 VAL 15 HG22 VAL 15 4.884 0.730 -1.828
107 HG23 VAL 15 HG23 VAL 15 4.629 1.446 -3.420
108 H CYS 16 HN CYS 16 1.693 4.711 -2.214
109 HA CYS 16 HA CYS 16 -0.503 4.251 -0.358
110 HB2 CYS 16 HB2 CYS 16 -0.334 6.515 -2.313
111 HB3 CYS 16 HB1 CYS 16 -1.210 6.455 -0.799
112 H SER 17 HN SER 17 -2.634 3.997 -0.978
113 HA SER 17 HA SER 17 -3.537 3.687 -3.630
114 HB2 SER 17 HB2 SER 17 -1.884 1.767 -3.485
115 HB3 SER 17 HB1 SER 17 -2.924 1.057 -2.252
116 HG SER 17 HG SER 17 -4.065 0.279 -3.820
117 H GLN 18 HN GLN 18 -5.742 2.963 -3.709
118 HA GLN 18 HA GLN 18 -7.070 3.130 -1.106
119 HB2 GLN 18 HB2 GLN 18 -8.163 3.355 -3.920
120 HB3 GLN 18 HB1 GLN 18 -9.143 3.434 -2.462
121 HG2 GLN 18 HG2 GLN 18 -7.951 5.384 -1.723
122 HG3 GLN 18 HG1 GLN 18 -6.917 5.325 -3.147
123 HE21 GLN 18 HE21 GLN 18 -9.144 4.543 -4.889
124 HE22 GLN 18 HE22 GLN 18 -10.091 5.970 -5.117
125 H SER 19 HN SER 19 -6.427 1.052 -0.487
126 HA SER 19 HA SER 19 -7.198 -1.298 -1.983
127 HB2 SER 19 HB2 SER 19 -6.133 -1.101 0.814
128 HB3 SER 19 HB1 SER 19 -6.005 -2.457 -0.291
129 HG SER 19 HG SER 19 -4.376 -0.346 -0.011
130 H CYS 20 HN CYS 20 -8.022 -0.015 1.264
131 HA CYS 20 HA CYS 20 -10.258 -1.859 1.461
132 HB2 CYS 20 HB2 CYS 20 -9.002 0.059 3.406
133 HB3 CYS 20 HB1 CYS 20 -10.547 -0.706 3.746
134 H CYS 21 HN CYS 21 -10.397 0.189 -0.542
135 HA CYS 21 HA CYS 21 -12.762 1.645 0.422
136 HB2 CYS 21 HB2 CYS 21 -10.692 2.686 -1.531
137 HB3 CYS 21 HB1 CYS 21 -12.140 3.539 -1.012
Start of MODEL 4
1 H1 THR 1 HT1 THR 1 -0.070 -7.272 1.022
2 H2 THR 1 HT2 THR 1 -1.578 -6.745 0.475
3 H3 THR 1 HT3 THR 1 -0.673 -5.777 1.519
4 HA THR 1 HA THR 1 1.022 -5.478 -0.136
5 HB THR 1 HB THR 1 -0.796 -6.966 -2.036
6 HG1 THR 1 HG1 THR 1 1.652 -7.974 -0.995
7 HG21 THR 1 HG21 THR 1 0.727 -5.326 -3.051
8 HG22 THR 1 HG22 THR 1 1.184 -6.975 -3.478
9 HG23 THR 1 HG23 THR 1 2.093 -6.098 -2.247
10 H ARG 2 HN ARG 2 -2.493 -5.438 -0.394
11 HA ARG 2 HA ARG 2 -2.411 -2.804 -1.667
12 HB2 ARG 2 HB2 ARG 2 -3.699 -4.438 -2.842
13 HB3 ARG 2 HB1 ARG 2 -4.475 -4.976 -1.379
14 HG2 ARG 2 HG2 ARG 2 -5.628 -2.778 -1.287
15 HG3 ARG 2 HG1 ARG 2 -5.012 -2.468 -2.894
16 HD2 ARG 2 HD2 ARG 2 -6.050 -5.086 -2.816
17 HD3 ARG 2 HD1 ARG 2 -7.263 -3.997 -2.138
18 HE ARG 2 HE ARG 2 -6.184 -2.991 -4.588
19 HH11 ARG 2 HH11 ARG 2 -8.466 -5.288 -3.263
20 HH12 ARG 2 HH12 ARG 2 -9.483 -5.288 -4.669
21 HH21 ARG 2 HH21 ARG 2 -7.525 -2.979 -6.442
22 HH22 ARG 2 HH22 ARG 2 -8.958 -3.960 -6.473
23 H ILE 3 HN ILE 3 -1.747 -3.283 1.129
24 HA ILE 3 HA ILE 3 -3.517 -3.475 3.070
25 HB ILE 3 HB ILE 3 -1.314 -1.442 3.220
26 HG12 ILE 3 HG12 ILE 3 -1.241 -4.387 3.893
27 HG13 ILE 3 HG11 ILE 3 -0.582 -3.675 2.437
28 HG21 ILE 3 HG21 ILE 3 -2.706 -3.040 5.356
29 HG22 ILE 3 HG22 ILE 3 -2.876 -1.307 5.076
30 HG23 ILE 3 HG23 ILE 3 -1.329 -1.969 5.608
31 HD11 ILE 3 HD11 ILE 3 1.087 -4.160 4.214
32 HD12 ILE 3 HD12 ILE 3 0.320 -2.902 5.183
33 HD13 ILE 3 HD13 ILE 3 1.075 -2.493 3.641
34 H CYS 4 HN CYS 4 -5.448 -2.745 2.916
35 HA CYS 4 HA CYS 4 -7.262 -1.352 2.904
36 HB2 CYS 4 HB2 CYS 4 -5.717 -1.020 5.213
37 HB3 CYS 4 HB1 CYS 4 -6.247 0.598 4.752
38 H CYS 5 HN CYS 5 -7.398 1.452 3.562
39 HA CYS 5 HA CYS 5 -6.271 2.602 1.120
40 HB2 CYS 5 HB2 CYS 5 -8.388 3.583 3.000
41 HB3 CYS 5 HB1 CYS 5 -7.780 4.534 1.652
42 H GLY 6 HN GLY 6 -4.824 4.233 1.114
43 HA2 GLY 6 HA2 GLY 6 -3.993 6.187 2.515
44 HA3 GLY 6 HA1 GLY 6 -3.697 4.957 3.740
45 H CYS 7 HN CYS 7 -1.474 5.059 3.816
46 HA CYS 7 HA CYS 7 -0.193 3.965 1.431
47 HB2 CYS 7 HB2 CYS 7 0.161 6.526 1.782
48 HB3 CYS 7 HB1 CYS 7 1.278 6.009 3.043
49 H TYR 8 HN TYR 8 1.300 2.445 1.802
50 HA TYR 8 HA TYR 8 2.001 1.800 4.571
51 HB2 TYR 8 HB2 TYR 8 1.536 -0.613 3.942
52 HB3 TYR 8 HB1 TYR 8 0.120 0.398 4.183
53 HD1 TYR 8 HD2 TYR 8 2.337 -0.996 1.534
54 HD2 TYR 8 HD1 TYR 8 -1.491 0.579 2.506
55 HE1 TYR 8 HE2 TYR 8 1.530 -1.578 -0.713
56 HE2 TYR 8 HE1 TYR 8 -2.305 -0.001 0.270
57 HH TYR 8 HH TYR 8 -0.609 -2.034 -1.838
58 H TRP 9 HN TRP 9 3.785 0.199 4.666
59 HA TRP 9 HA TRP 9 5.643 0.714 2.466
60 HB2 TRP 9 HB2 TRP 9 6.447 1.216 4.745
61 HB3 TRP 9 HB1 TRP 9 6.192 -0.466 5.200
62 HD1 TRP 9 HD1 TRP 9 7.903 -2.271 4.230
63 HE1 TRP 9 HE1 TRP 9 10.256 -2.060 3.214
64 HE3 TRP 9 HE3 TRP 9 7.954 2.763 3.364
65 HZ2 TRP 9 HZ2 TRP 9 11.919 -0.019 2.203
66 HZ3 TRP 9 HZ3 TRP 9 9.962 3.765 2.377
67 HH2 TRP 9 HH2 TRP 9 11.901 2.407 1.812
68 H ASN 10 HN ASN 10 5.126 -0.738 0.901
69 HA ASN 10 HA ASN 10 4.968 -3.559 1.641
70 HB2 ASN 10 HB2 ASN 10 3.293 -2.551 0.048
71 HB3 ASN 10 HB1 ASN 10 4.607 -2.342 -1.105
72 HD21 ASN 10 HD21 ASN 10 5.568 -4.183 -2.033
73 HD22 ASN 10 HD22 ASN 10 4.767 -5.720 -2.025
74 H GLY 11 HN GLY 11 7.149 -3.844 2.195
75 HA2 GLY 11 HA2 GLY 11 9.133 -4.878 1.713
76 HA3 GLY 11 HA1 GLY 11 8.617 -4.956 0.047
77 H SER 12 HN SER 12 8.935 -2.977 -1.266
78 HA SER 12 HA SER 12 11.681 -2.161 -0.743
79 HB2 SER 12 HB2 SER 12 11.099 -3.226 -2.892
80 HB3 SER 12 HB1 SER 12 10.013 -1.886 -3.252
81 HG SER 12 HG SER 12 12.571 -1.117 -2.579
82 H LYS 13 HN LYS 13 8.514 -0.656 -1.273
83 HA LYS 13 HA LYS 13 9.596 1.851 -0.282
84 HB2 LYS 13 HB2 LYS 13 8.475 3.093 -2.219
85 HB3 LYS 13 HB1 LYS 13 10.011 2.306 -2.549
86 HG2 LYS 13 HG2 LYS 13 8.899 1.585 -4.377
87 HG3 LYS 13 HG1 LYS 13 8.334 0.344 -3.260
88 HD2 LYS 13 HD2 LYS 13 6.424 1.160 -4.378
89 HD3 LYS 13 HD1 LYS 13 6.409 1.811 -2.743
90 HE2 LYS 13 HE2 LYS 13 7.362 3.921 -3.602
91 HE3 LYS 13 HE1 LYS 13 7.277 3.265 -5.235
92 HZ1 LYS 13 HZ1 LYS 13 5.382 4.638 -4.864
93 HZ2 LYS 13 HZ2 LYS 13 5.002 3.847 -3.420
94 HZ3 LYS 13 HZ3 LYS 13 4.846 3.035 -4.896
95 H ASP 14 HN ASP 14 7.904 3.504 -0.008
96 HA ASP 14 HA ASP 14 5.563 2.434 1.194
97 HB2 ASP 14 HB2 ASP 14 4.898 4.853 1.406
98 HB3 ASP 14 HB1 ASP 14 6.470 4.469 2.099
99 H VAL 15 HN VAL 15 3.860 1.748 0.177
100 HA VAL 15 HA VAL 15 3.274 2.755 -2.518
101 HB VAL 15 HB VAL 15 2.454 0.096 -1.332
102 HG11 VAL 15 HG11 VAL 15 0.924 0.905 -3.030
103 HG12 VAL 15 HG12 VAL 15 1.840 -0.473 -3.636
104 HG13 VAL 15 HG13 VAL 15 2.265 1.161 -4.145
105 HG21 VAL 15 HG21 VAL 15 4.107 -0.923 -2.814
106 HG22 VAL 15 HG22 VAL 15 4.869 0.159 -1.647
107 HG23 VAL 15 HG23 VAL 15 4.644 0.679 -3.317
108 H CYS 16 HN CYS 16 1.756 4.243 -2.280
109 HA CYS 16 HA CYS 16 -0.381 3.839 -0.333
110 HB2 CYS 16 HB2 CYS 16 -0.407 6.139 -2.211
111 HB3 CYS 16 HB1 CYS 16 -0.888 6.073 -0.528
112 H SER 17 HN SER 17 -2.497 3.516 -0.813
113 HA SER 17 HA SER 17 -3.525 3.417 -3.471
114 HB2 SER 17 HB2 SER 17 -3.867 1.002 -3.636
115 HB3 SER 17 HB1 SER 17 -2.146 1.346 -3.475
116 HG SER 17 HG SER 17 -2.183 0.096 -1.801
117 H GLN 18 HN GLN 18 -5.704 1.887 -3.262
118 HA GLN 18 HA GLN 18 -6.968 2.634 -0.728
119 HB2 GLN 18 HB2 GLN 18 -7.946 3.292 -3.485
120 HB3 GLN 18 HB1 GLN 18 -9.009 3.301 -2.082
121 HG2 GLN 18 HG2 GLN 18 -7.567 4.963 -1.026
122 HG3 GLN 18 HG1 GLN 18 -6.529 4.931 -2.446
123 HE21 GLN 18 HE21 GLN 18 -8.768 4.715 -4.303
124 HE22 GLN 18 HE22 GLN 18 -9.497 6.281 -4.348
125 H SER 19 HN SER 19 -6.688 0.339 -0.268
126 HA SER 19 HA SER 19 -8.113 -1.656 -1.724
127 HB2 SER 19 HB2 SER 19 -6.256 -1.915 0.094
128 HB3 SER 19 HB1 SER 19 -7.599 -1.824 1.213
129 HG SER 19 HG SER 19 -8.530 -3.620 0.212
130 H CYS 20 HN CYS 20 -8.736 0.071 1.316
131 HA CYS 20 HA CYS 20 -11.234 -1.318 1.704
132 HB2 CYS 20 HB2 CYS 20 -9.807 0.664 3.479
133 HB3 CYS 20 HB1 CYS 20 -11.181 -0.333 3.944
134 H CYS 21 HN CYS 21 -11.171 0.627 -0.441
135 HA CYS 21 HA CYS 21 -13.238 2.459 0.558
136 HB2 CYS 21 HB2 CYS 21 -11.038 3.200 -1.386
137 HB3 CYS 21 HB1 CYS 21 -12.362 4.245 -0.884
Start of MODEL 5
1 H1 THR 1 HT1 THR 1 0.608 -5.736 -2.652
2 H2 THR 1 HT2 THR 1 1.579 -6.838 -1.814
3 H3 THR 1 HT3 THR 1 1.580 -5.206 -1.369
4 HA THR 1 HA THR 1 -0.692 -7.085 -1.139
5 HB THR 1 HB THR 1 0.857 -5.717 1.064
6 HG1 THR 1 HG1 THR 1 1.176 -8.428 0.863
7 HG21 THR 1 HG21 THR 1 -1.443 -6.410 1.616
8 HG22 THR 1 HG22 THR 1 -0.245 -7.352 2.503
9 HG23 THR 1 HG23 THR 1 -1.061 -8.055 1.106
10 H ARG 2 HN ARG 2 -2.603 -6.142 -1.163
11 HA ARG 2 HA ARG 2 -2.889 -3.329 -1.443
12 HB2 ARG 2 HB2 ARG 2 -4.092 -5.038 -2.741
13 HB3 ARG 2 HB1 ARG 2 -4.919 -5.534 -1.287
14 HG2 ARG 2 HG2 ARG 2 -5.979 -3.378 -1.133
15 HG3 ARG 2 HG1 ARG 2 -5.155 -2.860 -2.591
16 HD2 ARG 2 HD2 ARG 2 -6.317 -4.357 -3.925
17 HD3 ARG 2 HD1 ARG 2 -6.758 -5.332 -2.530
18 HE ARG 2 HE ARG 2 -8.470 -3.800 -2.011
19 HH11 ARG 2 HH11 ARG 2 -6.742 -2.901 -4.926
20 HH12 ARG 2 HH12 ARG 2 -7.981 -1.814 -5.469
21 HH21 ARG 2 HH21 ARG 2 -10.085 -2.367 -2.715
22 HH22 ARG 2 HH22 ARG 2 -9.886 -1.515 -4.216
23 H ILE 3 HN ILE 3 -1.887 -3.975 1.170
24 HA ILE 3 HA ILE 3 -3.766 -4.285 3.181
25 HB ILE 3 HB ILE 3 -1.804 -2.652 4.281
26 HG12 ILE 3 HG12 ILE 3 -0.602 -4.512 2.246
27 HG13 ILE 3 HG11 ILE 3 -0.657 -2.768 2.111
28 HG21 ILE 3 HG21 ILE 3 -1.890 -5.641 4.042
29 HG22 ILE 3 HG22 ILE 3 -2.699 -4.670 5.272
30 HG23 ILE 3 HG23 ILE 3 -0.938 -4.728 5.209
31 HD11 ILE 3 HD11 ILE 3 1.533 -3.437 2.831
32 HD12 ILE 3 HD12 ILE 3 0.845 -4.365 4.166
33 HD13 ILE 3 HD13 ILE 3 0.722 -2.606 4.158
34 H CYS 4 HN CYS 4 -5.504 -3.118 2.979
35 HA CYS 4 HA CYS 4 -6.991 -1.431 3.069
36 HB2 CYS 4 HB2 CYS 4 -5.322 -1.306 5.376
37 HB3 CYS 4 HB1 CYS 4 -5.869 0.319 4.951
38 H CYS 5 HN CYS 5 -6.993 1.173 3.637
39 HA CYS 5 HA CYS 5 -6.134 2.198 1.053
40 HB2 CYS 5 HB2 CYS 5 -8.518 2.090 1.534
41 HB3 CYS 5 HB1 CYS 5 -8.269 3.022 2.995
42 H GLY 6 HN GLY 6 -4.713 3.810 0.918
43 HA2 GLY 6 HA2 GLY 6 -4.096 6.026 2.044
44 HA3 GLY 6 HA1 GLY 6 -3.768 5.003 3.440
45 H CYS 7 HN CYS 7 -1.560 5.357 3.529
46 HA CYS 7 HA CYS 7 -0.067 4.294 1.228
47 HB2 CYS 7 HB2 CYS 7 0.873 6.347 3.237
48 HB3 CYS 7 HB1 CYS 7 1.797 5.741 1.867
49 H TYR 8 HN TYR 8 0.971 2.451 1.602
50 HA TYR 8 HA TYR 8 1.694 1.820 4.376
51 HB2 TYR 8 HB2 TYR 8 1.402 -0.599 3.672
52 HB3 TYR 8 HB1 TYR 8 -0.072 0.326 3.877
53 HD1 TYR 8 HD2 TYR 8 2.324 -0.121 1.027
54 HD2 TYR 8 HD1 TYR 8 -1.669 -0.438 2.429
55 HE1 TYR 8 HE2 TYR 8 1.598 -0.813 -1.222
56 HE2 TYR 8 HE1 TYR 8 -2.416 -1.131 0.199
57 HH TYR 8 HH TYR 8 -1.676 -0.932 -2.140
58 H TRP 9 HN TRP 9 3.587 0.517 4.656
59 HA TRP 9 HA TRP 9 5.531 0.831 2.536
60 HB2 TRP 9 HB2 TRP 9 6.235 1.148 4.899
61 HB3 TRP 9 HB1 TRP 9 5.858 -0.546 5.215
62 HD1 TRP 9 HD1 TRP 9 7.588 -2.356 4.394
63 HE1 TRP 9 HE1 TRP 9 9.941 -2.228 3.353
64 HE3 TRP 9 HE3 TRP 9 7.734 2.642 3.374
65 HZ2 TRP 9 HZ2 TRP 9 11.633 -0.240 2.258
66 HZ3 TRP 9 HZ3 TRP 9 9.747 3.576 2.333
67 HH2 TRP 9 HH2 TRP 9 11.652 2.168 1.796
68 H ASN 10 HN ASN 10 5.443 -0.538 0.914
69 HA ASN 10 HA ASN 10 4.751 -3.342 1.466
70 HB2 ASN 10 HB2 ASN 10 3.275 -2.132 -0.130
71 HB3 ASN 10 HB1 ASN 10 4.667 -1.848 -1.169
72 HD21 ASN 10 HD21 ASN 10 5.558 -3.571 -2.313
73 HD22 ASN 10 HD22 ASN 10 4.696 -5.055 -2.553
74 H GLY 11 HN GLY 11 6.846 -3.892 2.133
75 HA2 GLY 11 HA2 GLY 11 8.800 -5.010 1.754
76 HA3 GLY 11 HA1 GLY 11 8.407 -4.981 0.052
77 H SER 12 HN SER 12 8.839 -2.829 -1.055
78 HA SER 12 HA SER 12 11.552 -2.084 -0.210
79 HB2 SER 12 HB2 SER 12 11.486 -3.353 -2.282
80 HB3 SER 12 HB1 SER 12 10.348 -2.211 -2.981
81 HG SER 12 HG SER 12 13.063 -2.072 -2.776
82 H LYS 13 HN LYS 13 8.434 -0.743 -1.133
83 HA LYS 13 HA LYS 13 9.533 1.914 -0.528
84 HB2 LYS 13 HB2 LYS 13 7.509 1.578 -2.728
85 HB3 LYS 13 HB1 LYS 13 8.420 3.010 -2.309
86 HG2 LYS 13 HG2 LYS 13 9.384 2.306 -4.264
87 HG3 LYS 13 HG1 LYS 13 10.477 1.637 -3.054
88 HD2 LYS 13 HD2 LYS 13 9.844 -0.492 -3.522
89 HD3 LYS 13 HD1 LYS 13 8.198 -0.002 -3.910
90 HE2 LYS 13 HE2 LYS 13 8.847 0.814 -6.032
91 HE3 LYS 13 HE1 LYS 13 10.557 0.568 -5.671
92 HZ1 LYS 13 HZ1 LYS 13 8.528 -1.589 -5.900
93 HZ2 LYS 13 HZ2 LYS 13 10.181 -1.805 -5.619
94 HZ3 LYS 13 HZ3 LYS 13 9.650 -1.180 -7.094
95 H ASP 14 HN ASP 14 7.926 3.497 0.010
96 HA ASP 14 HA ASP 14 5.523 2.458 1.252
97 HB2 ASP 14 HB2 ASP 14 6.687 4.256 2.403
98 HB3 ASP 14 HB1 ASP 14 6.628 5.269 0.965
99 H VAL 15 HN VAL 15 3.717 2.185 0.127
100 HA VAL 15 HA VAL 15 3.385 3.641 -2.391
101 HB VAL 15 HB VAL 15 2.762 0.710 -1.944
102 HG11 VAL 15 HG11 VAL 15 2.527 2.424 -4.415
103 HG12 VAL 15 HG12 VAL 15 1.195 1.749 -3.477
104 HG13 VAL 15 HG13 VAL 15 2.286 0.678 -4.358
105 HG21 VAL 15 HG21 VAL 15 4.933 1.973 -3.621
106 HG22 VAL 15 HG22 VAL 15 4.563 0.252 -3.536
107 HG23 VAL 15 HG23 VAL 15 5.171 1.094 -2.111
108 H CYS 16 HN CYS 16 1.543 4.655 -2.465
109 HA CYS 16 HA CYS 16 -0.510 4.077 -0.488
110 HB2 CYS 16 HB2 CYS 16 -0.585 6.299 -2.497
111 HB3 CYS 16 HB1 CYS 16 -1.429 6.201 -0.965
112 H SER 17 HN SER 17 -2.658 3.718 -0.989
113 HA SER 17 HA SER 17 -3.639 3.298 -3.605
114 HB2 SER 17 HB2 SER 17 -2.025 1.371 -3.417
115 HB3 SER 17 HB1 SER 17 -2.998 0.762 -2.079
116 HG SER 17 HG SER 17 -3.733 1.065 -4.797
117 H GLN 18 HN GLN 18 -5.853 2.924 -3.574
118 HA GLN 18 HA GLN 18 -7.087 3.168 -0.933
119 HB2 GLN 18 HB2 GLN 18 -8.161 3.551 -3.735
120 HB3 GLN 18 HB1 GLN 18 -9.155 3.647 -2.295
121 HG2 GLN 18 HG2 GLN 18 -7.812 5.473 -1.467
122 HG3 GLN 18 HG1 GLN 18 -6.805 5.404 -2.912
123 HE21 GLN 18 HE21 GLN 18 -9.118 4.812 -4.619
124 HE22 GLN 18 HE22 GLN 18 -9.965 6.307 -4.795
125 H SER 19 HN SER 19 -6.587 0.979 -0.413
126 HA SER 19 HA SER 19 -7.877 -1.220 -1.744
127 HB2 SER 19 HB2 SER 19 -6.752 -1.084 1.028
128 HB3 SER 19 HB1 SER 19 -6.935 -2.504 0.011
129 HG SER 19 HG SER 19 -4.874 -0.816 0.152
130 H CYS 20 HN CYS 20 -8.217 0.186 1.515
131 HA CYS 20 HA CYS 20 -10.822 -1.030 1.855
132 HB2 CYS 20 HB2 CYS 20 -9.178 0.680 3.739
133 HB3 CYS 20 HB1 CYS 20 -10.676 -0.139 4.162
134 H CYS 21 HN CYS 21 -10.539 1.043 -0.140
135 HA CYS 21 HA CYS 21 -12.581 2.884 0.889
136 HB2 CYS 21 HB2 CYS 21 -10.195 3.597 -0.820
137 HB3 CYS 21 HB1 CYS 21 -11.598 4.639 -0.661
Start of MODEL 6
1 H1 THR 1 HT1 THR 1 -0.218 -6.342 2.577
2 H2 THR 1 HT2 THR 1 0.367 -7.706 1.769
3 H3 THR 1 HT3 THR 1 -1.247 -7.248 1.590
4 HA THR 1 HA THR 1 1.076 -5.649 0.710
5 HB THR 1 HB THR 1 -0.881 -7.202 -0.991
6 HG1 THR 1 HG1 THR 1 1.526 -8.191 -1.286
7 HG21 THR 1 HG21 THR 1 0.073 -5.231 -2.083
8 HG22 THR 1 HG22 THR 1 0.697 -6.715 -2.802
9 HG23 THR 1 HG23 THR 1 1.697 -5.789 -1.684
10 H ARG 2 HN ARG 2 -2.366 -6.187 -0.073
11 HA ARG 2 HA ARG 2 -2.829 -3.468 -0.717
12 HB2 ARG 2 HB2 ARG 2 -3.887 -5.540 -1.699
13 HB3 ARG 2 HB1 ARG 2 -4.830 -5.653 -0.230
14 HG2 ARG 2 HG2 ARG 2 -5.956 -3.642 -0.685
15 HG3 ARG 2 HG1 ARG 2 -4.860 -3.269 -2.012
16 HD2 ARG 2 HD2 ARG 2 -6.805 -4.096 -3.014
17 HD3 ARG 2 HD1 ARG 2 -5.611 -5.386 -3.027
18 HE ARG 2 HE ARG 2 -6.833 -6.153 -0.910
19 HH11 ARG 2 HH11 ARG 2 -8.360 -4.675 -3.691
20 HH12 ARG 2 HH12 ARG 2 -9.906 -5.401 -3.388
21 HH21 ARG 2 HH21 ARG 2 -8.858 -7.112 -0.509
22 HH22 ARG 2 HH22 ARG 2 -10.191 -6.783 -1.571
23 H ILE 3 HN ILE 3 -1.953 -3.811 2.059
24 HA ILE 3 HA ILE 3 -3.997 -3.981 3.937
25 HB ILE 3 HB ILE 3 -2.091 -2.214 4.997
26 HG12 ILE 3 HG12 ILE 3 -0.801 -4.378 3.345
27 HG13 ILE 3 HG11 ILE 3 -0.810 -2.675 2.934
28 HG21 ILE 3 HG21 ILE 3 -1.374 -4.182 6.253
29 HG22 ILE 3 HG22 ILE 3 -2.289 -5.207 5.150
30 HG23 ILE 3 HG23 ILE 3 -3.130 -4.050 6.182
31 HD11 ILE 3 HD11 ILE 3 1.312 -3.227 3.894
32 HD12 ILE 3 HD12 ILE 3 0.527 -3.950 5.304
33 HD13 ILE 3 HD13 ILE 3 0.424 -2.210 5.032
34 H CYS 4 HN CYS 4 -5.710 -2.853 3.422
35 HA CYS 4 HA CYS 4 -7.145 -1.159 3.003
36 HB2 CYS 4 HB2 CYS 4 -6.056 -0.908 5.592
37 HB3 CYS 4 HB1 CYS 4 -6.317 0.722 4.951
38 H CYS 5 HN CYS 5 -7.315 1.439 3.233
39 HA CYS 5 HA CYS 5 -5.599 2.417 1.112
40 HB2 CYS 5 HB2 CYS 5 -7.965 3.638 2.502
41 HB3 CYS 5 HB1 CYS 5 -7.177 4.312 1.081
42 H GLY 6 HN GLY 6 -4.791 4.666 1.285
43 HA2 GLY 6 HA2 GLY 6 -3.977 6.375 2.900
44 HA3 GLY 6 HA1 GLY 6 -3.618 5.026 3.971
45 H CYS 7 HN CYS 7 -1.492 4.760 4.048
46 HA CYS 7 HA CYS 7 -0.204 3.999 1.586
47 HB2 CYS 7 HB2 CYS 7 0.127 6.553 1.990
48 HB3 CYS 7 HB1 CYS 7 1.254 6.022 3.233
49 H TYR 8 HN TYR 8 1.153 2.396 1.902
50 HA TYR 8 HA TYR 8 2.068 1.788 4.614
51 HB2 TYR 8 HB2 TYR 8 1.630 -0.660 3.946
52 HB3 TYR 8 HB1 TYR 8 0.251 0.311 4.436
53 HD1 TYR 8 HD2 TYR 8 2.104 -0.277 1.225
54 HD2 TYR 8 HD1 TYR 8 -1.638 -0.192 3.236
55 HE1 TYR 8 HE2 TYR 8 0.964 -0.855 -0.880
56 HE2 TYR 8 HE1 TYR 8 -2.784 -0.757 1.144
57 HH TYR 8 HH TYR 8 -1.173 -1.917 -1.575
58 H TRP 9 HN TRP 9 3.949 0.368 4.675
59 HA TRP 9 HA TRP 9 5.663 0.714 2.371
60 HB2 TRP 9 HB2 TRP 9 6.636 0.931 4.631
61 HB3 TRP 9 HB1 TRP 9 6.215 -0.744 4.971
62 HD1 TRP 9 HD1 TRP 9 7.616 -2.642 3.680
63 HE1 TRP 9 HE1 TRP 9 9.936 -2.614 2.569
64 HE3 TRP 9 HE3 TRP 9 8.308 2.411 3.402
65 HZ2 TRP 9 HZ2 TRP 9 11.820 -0.689 1.721
66 HZ3 TRP 9 HZ3 TRP 9 10.396 3.258 2.434
67 HH2 TRP 9 HH2 TRP 9 12.113 1.744 1.615
68 H ASN 10 HN ASN 10 4.604 -0.502 0.815
69 HA ASN 10 HA ASN 10 4.260 -3.341 1.223
70 HB2 ASN 10 HB2 ASN 10 2.658 -2.094 -0.162
71 HB3 ASN 10 HB1 ASN 10 3.951 -1.664 -1.277
72 HD21 ASN 10 HD21 ASN 10 2.950 -2.654 -3.004
73 HD22 ASN 10 HD22 ASN 10 2.852 -4.371 -3.163
74 H GLY 11 HN GLY 11 6.384 -3.973 1.679
75 HA2 GLY 11 HA2 GLY 11 8.167 -5.243 1.019
76 HA3 GLY 11 HA1 GLY 11 7.663 -5.006 -0.637
77 H SER 12 HN SER 12 8.224 -2.798 -1.565
78 HA SER 12 HA SER 12 11.041 -2.387 -0.860
79 HB2 SER 12 HB2 SER 12 9.650 -1.953 -3.505
80 HB3 SER 12 HB1 SER 12 11.376 -1.794 -3.199
81 HG SER 12 HG SER 12 10.697 -4.174 -2.319
82 H LYS 13 HN LYS 13 8.028 -0.756 -0.972
83 HA LYS 13 HA LYS 13 9.254 1.746 -0.264
84 HB2 LYS 13 HB2 LYS 13 9.364 1.572 -2.830
85 HB3 LYS 13 HB1 LYS 13 7.616 1.751 -2.783
86 HG2 LYS 13 HG2 LYS 13 7.800 3.922 -1.793
87 HG3 LYS 13 HG1 LYS 13 9.545 3.740 -1.622
88 HD2 LYS 13 HD2 LYS 13 8.923 5.155 -3.538
89 HD3 LYS 13 HD1 LYS 13 9.829 3.717 -4.007
90 HE2 LYS 13 HE2 LYS 13 7.742 2.613 -4.652
91 HE3 LYS 13 HE1 LYS 13 6.832 4.042 -4.164
92 HZ1 LYS 13 HZ1 LYS 13 7.223 3.934 -6.566
93 HZ2 LYS 13 HZ2 LYS 13 8.893 3.992 -6.301
94 HZ3 LYS 13 HZ3 LYS 13 7.923 5.309 -5.873
95 H ASP 14 HN ASP 14 7.596 3.440 0.105
96 HA ASP 14 HA ASP 14 5.184 2.312 1.206
97 HB2 ASP 14 HB2 ASP 14 4.686 4.543 2.008
98 HB3 ASP 14 HB1 ASP 14 6.374 4.184 2.343
99 H VAL 15 HN VAL 15 3.457 1.930 0.058
100 HA VAL 15 HA VAL 15 3.095 3.376 -2.470
101 HB VAL 15 HB VAL 15 2.099 0.596 -1.819
102 HG11 VAL 15 HG11 VAL 15 0.722 1.746 -3.448
103 HG12 VAL 15 HG12 VAL 15 1.655 0.475 -4.238
104 HG13 VAL 15 HG13 VAL 15 2.149 2.160 -4.397
105 HG21 VAL 15 HG21 VAL 15 4.532 0.606 -1.951
106 HG22 VAL 15 HG22 VAL 15 4.457 1.430 -3.509
107 HG23 VAL 15 HG23 VAL 15 3.836 -0.213 -3.348
108 H CYS 16 HN CYS 16 1.653 4.885 -2.098
109 HA CYS 16 HA CYS 16 -0.558 4.459 -0.298
110 HB2 CYS 16 HB2 CYS 16 -0.209 6.918 -1.952
111 HB3 CYS 16 HB1 CYS 16 -0.769 6.746 -0.307
112 H SER 17 HN SER 17 -2.518 3.787 -0.975
113 HA SER 17 HA SER 17 -3.603 4.465 -3.532
114 HB2 SER 17 HB2 SER 17 -3.755 2.023 -4.272
115 HB3 SER 17 HB1 SER 17 -2.171 2.785 -4.411
116 HG SER 17 HG SER 17 -3.011 1.153 -2.231
117 H GLN 18 HN GLN 18 -5.737 3.388 -3.892
118 HA GLN 18 HA GLN 18 -7.164 3.224 -1.363
119 HB2 GLN 18 HB2 GLN 18 -8.110 3.259 -4.244
120 HB3 GLN 18 HB1 GLN 18 -9.185 3.079 -2.874
121 HG2 GLN 18 HG2 GLN 18 -9.281 5.327 -3.551
122 HG3 GLN 18 HG1 GLN 18 -8.409 5.248 -2.028
123 HE21 GLN 18 HE21 GLN 18 -6.246 5.835 -1.971
124 HE22 GLN 18 HE22 GLN 18 -5.450 6.599 -3.304
125 H SER 19 HN SER 19 -6.214 1.278 -0.691
126 HA SER 19 HA SER 19 -6.451 -1.125 -2.273
127 HB2 SER 19 HB2 SER 19 -5.415 -0.715 0.516
128 HB3 SER 19 HB1 SER 19 -5.070 -2.067 -0.555
129 HG SER 19 HG SER 19 -3.371 -0.769 -0.903
130 H CYS 20 HN CYS 20 -7.999 0.133 0.724
131 HA CYS 20 HA CYS 20 -9.755 -2.217 0.580
132 HB2 CYS 20 HB2 CYS 20 -10.362 -1.882 2.909
133 HB3 CYS 20 HB1 CYS 20 -8.627 -2.072 2.744
134 H CYS 21 HN CYS 21 -9.858 0.466 -0.825
135 HA CYS 21 HA CYS 21 -12.524 1.289 0.092
136 HB2 CYS 21 HB2 CYS 21 -10.598 2.865 -1.629
137 HB3 CYS 21 HB1 CYS 21 -12.098 3.449 -0.922
Start of MODEL 7
1 H1 THR 1 HT1 THR 1 1.600 -6.976 -1.584
2 H2 THR 1 HT2 THR 1 1.740 -5.294 -1.486
3 H3 THR 1 HT3 THR 1 0.642 -5.991 -2.568
4 HA THR 1 HA THR 1 -0.662 -6.867 -0.779
5 HB THR 1 HB THR 1 1.095 -5.334 1.135
6 HG1 THR 1 HG1 THR 1 1.282 -8.043 0.274
7 HG21 THR 1 HG21 THR 1 -0.021 -6.739 2.800
8 HG22 THR 1 HG22 THR 1 -0.924 -7.549 1.522
9 HG23 THR 1 HG23 THR 1 -1.200 -5.839 1.847
10 H ARG 2 HN ARG 2 -2.420 -5.739 -1.022
11 HA ARG 2 HA ARG 2 -2.420 -2.974 -1.716
12 HB2 ARG 2 HB2 ARG 2 -3.710 -4.631 -2.868
13 HB3 ARG 2 HB1 ARG 2 -4.508 -5.095 -1.390
14 HG2 ARG 2 HG2 ARG 2 -5.807 -3.179 -1.359
15 HG3 ARG 2 HG1 ARG 2 -4.857 -2.390 -2.603
16 HD2 ARG 2 HD2 ARG 2 -6.191 -5.002 -3.048
17 HD3 ARG 2 HD1 ARG 2 -7.066 -3.484 -3.298
18 HE ARG 2 HE ARG 2 -4.667 -3.333 -4.710
19 HH11 ARG 2 HH11 ARG 2 -7.596 -5.240 -4.775
20 HH12 ARG 2 HH12 ARG 2 -7.523 -5.524 -6.485
21 HH21 ARG 2 HH21 ARG 2 -4.570 -3.688 -6.951
22 HH22 ARG 2 HH22 ARG 2 -5.800 -4.634 -7.729
23 H ILE 3 HN ILE 3 -1.627 -3.473 1.056
24 HA ILE 3 HA ILE 3 -3.334 -3.621 3.077
25 HB ILE 3 HB ILE 3 -1.174 -1.532 3.089
26 HG12 ILE 3 HG12 ILE 3 -0.967 -4.456 3.812
27 HG13 ILE 3 HG11 ILE 3 -0.401 -3.748 2.314
28 HG21 ILE 3 HG21 ILE 3 -1.068 -2.000 5.480
29 HG22 ILE 3 HG22 ILE 3 -2.400 -3.142 5.315
30 HG23 ILE 3 HG23 ILE 3 -2.667 -1.426 5.009
31 HD11 ILE 3 HD11 ILE 3 0.601 -2.969 5.028
32 HD12 ILE 3 HD12 ILE 3 1.231 -2.431 3.468
33 HD13 ILE 3 HD13 ILE 3 1.393 -4.119 3.952
34 H CYS 4 HN CYS 4 -5.291 -2.889 2.925
35 HA CYS 4 HA CYS 4 -7.111 -1.484 2.859
36 HB2 CYS 4 HB2 CYS 4 -5.667 -1.178 5.184
37 HB3 CYS 4 HB1 CYS 4 -5.921 0.484 4.657
38 H CYS 5 HN CYS 5 -7.230 1.312 3.440
39 HA CYS 5 HA CYS 5 -6.052 2.473 1.030
40 HB2 CYS 5 HB2 CYS 5 -8.004 3.610 3.006
41 HB3 CYS 5 HB1 CYS 5 -7.520 4.380 1.499
42 H GLY 6 HN GLY 6 -4.921 4.495 1.133
43 HA2 GLY 6 HA2 GLY 6 -3.867 6.221 2.496
44 HA3 GLY 6 HA1 GLY 6 -3.638 5.000 3.742
45 H CYS 7 HN CYS 7 -1.379 5.501 3.736
46 HA CYS 7 HA CYS 7 0.009 4.358 1.411
47 HB2 CYS 7 HB2 CYS 7 1.012 6.507 3.286
48 HB3 CYS 7 HB1 CYS 7 1.902 5.830 1.927
49 H TYR 8 HN TYR 8 1.091 2.582 1.776
50 HA TYR 8 HA TYR 8 1.882 1.923 4.529
51 HB2 TYR 8 HB2 TYR 8 1.423 -0.459 3.872
52 HB3 TYR 8 HB1 TYR 8 -0.005 0.552 4.015
53 HD1 TYR 8 HD2 TYR 8 2.427 -0.625 1.416
54 HD2 TYR 8 HD1 TYR 8 -1.580 0.451 2.338
55 HE1 TYR 8 HE2 TYR 8 1.731 -1.286 -0.845
56 HE2 TYR 8 HE1 TYR 8 -2.288 -0.219 0.094
57 HH TYR 8 HH TYR 8 -0.282 -1.997 -2.008
58 H TRP 9 HN TRP 9 3.675 0.377 4.646
59 HA TRP 9 HA TRP 9 5.513 0.765 2.402
60 HB2 TRP 9 HB2 TRP 9 6.417 1.344 4.629
61 HB3 TRP 9 HB1 TRP 9 6.112 -0.305 5.174
62 HD1 TRP 9 HD1 TRP 9 7.747 -2.208 4.305
63 HE1 TRP 9 HE1 TRP 9 10.036 -2.156 3.125
64 HE3 TRP 9 HE3 TRP 9 7.861 2.726 2.996
65 HZ2 TRP 9 HZ2 TRP 9 11.670 -0.245 1.823
66 HZ3 TRP 9 HZ3 TRP 9 9.816 3.581 1.785
67 HH2 TRP 9 HH2 TRP 9 11.680 2.131 1.222
68 H ASN 10 HN ASN 10 5.446 -0.772 0.926
69 HA ASN 10 HA ASN 10 4.959 -3.521 1.849
70 HB2 ASN 10 HB2 ASN 10 3.188 -2.547 0.375
71 HB3 ASN 10 HB1 ASN 10 4.387 -2.401 -0.904
72 HD21 ASN 10 HD21 ASN 10 4.208 -5.076 1.371
73 HD22 ASN 10 HD22 ASN 10 3.759 -6.272 0.201
74 H GLY 11 HN GLY 11 7.127 -3.912 2.248
75 HA2 GLY 11 HA2 GLY 11 8.932 -5.184 1.601
76 HA3 GLY 11 HA1 GLY 11 8.455 -4.978 -0.071
77 H SER 12 HN SER 12 9.059 -2.983 -1.139
78 HA SER 12 HA SER 12 11.587 -1.988 -0.017
79 HB2 SER 12 HB2 SER 12 12.134 -1.702 -2.556
80 HB3 SER 12 HB1 SER 12 12.252 -3.296 -1.810
81 HG SER 12 HG SER 12 10.624 -3.969 -2.970
82 H LYS 13 HN LYS 13 8.515 -0.999 -0.723
83 HA LYS 13 HA LYS 13 9.386 1.762 -0.979
84 HB2 LYS 13 HB2 LYS 13 7.696 0.360 -3.015
85 HB3 LYS 13 HB1 LYS 13 7.621 2.101 -2.795
86 HG2 LYS 13 HG2 LYS 13 9.956 2.313 -3.366
87 HG3 LYS 13 HG1 LYS 13 10.111 0.559 -3.475
88 HD2 LYS 13 HD2 LYS 13 9.885 1.524 -5.684
89 HD3 LYS 13 HD1 LYS 13 8.497 0.524 -5.267
90 HE2 LYS 13 HE2 LYS 13 7.223 2.535 -4.686
91 HE3 LYS 13 HE1 LYS 13 8.610 3.532 -5.120
92 HZ1 LYS 13 HZ1 LYS 13 6.968 3.431 -6.895
93 HZ2 LYS 13 HZ2 LYS 13 7.122 1.750 -6.971
94 HZ3 LYS 13 HZ3 LYS 13 8.428 2.734 -7.388
95 H ASP 14 HN ASP 14 7.786 3.315 -0.539
96 HA ASP 14 HA ASP 14 5.554 2.390 1.089
97 HB2 ASP 14 HB2 ASP 14 6.972 4.289 1.874
98 HB3 ASP 14 HB1 ASP 14 6.471 5.213 0.465
99 H VAL 15 HN VAL 15 3.610 2.117 0.211
100 HA VAL 15 HA VAL 15 3.117 3.267 -2.441
101 HB VAL 15 HB VAL 15 2.311 0.516 -1.481
102 HG11 VAL 15 HG11 VAL 15 0.694 1.472 -3.028
103 HG12 VAL 15 HG12 VAL 15 1.578 0.142 -3.779
104 HG13 VAL 15 HG13 VAL 15 1.983 1.812 -4.183
105 HG21 VAL 15 HG21 VAL 15 3.905 -0.334 -3.137
106 HG22 VAL 15 HG22 VAL 15 4.709 0.633 -1.901
107 HG23 VAL 15 HG23 VAL 15 4.406 1.317 -3.498
108 H CYS 16 HN CYS 16 1.480 4.585 -2.369
109 HA CYS 16 HA CYS 16 -0.572 4.370 -0.363
110 HB2 CYS 16 HB2 CYS 16 -0.196 6.377 -2.587
111 HB3 CYS 16 HB1 CYS 16 -1.247 6.530 -1.201
112 H SER 17 HN SER 17 -2.445 3.362 -0.715
113 HA SER 17 HA SER 17 -3.530 3.178 -3.407
114 HB2 SER 17 HB2 SER 17 -2.047 1.177 -3.109
115 HB3 SER 17 HB1 SER 17 -3.048 0.694 -1.741
116 HG SER 17 HG SER 17 -4.042 1.112 -4.368
117 H GLN 18 HN GLN 18 -5.761 2.229 -3.358
118 HA GLN 18 HA GLN 18 -7.058 2.802 -0.781
119 HB2 GLN 18 HB2 GLN 18 -8.169 3.262 -3.556
120 HB3 GLN 18 HB1 GLN 18 -8.996 3.597 -2.042
121 HG2 GLN 18 HG2 GLN 18 -7.327 5.238 -1.470
122 HG3 GLN 18 HG1 GLN 18 -6.472 4.923 -2.977
123 HE21 GLN 18 HE21 GLN 18 -7.392 5.611 -4.921
124 HE22 GLN 18 HE22 GLN 18 -8.633 6.813 -4.966
125 H SER 19 HN SER 19 -6.749 0.520 -0.315
126 HA SER 19 HA SER 19 -8.082 -1.476 -1.874
127 HB2 SER 19 HB2 SER 19 -6.144 -1.828 -0.272
128 HB3 SER 19 HB1 SER 19 -7.333 -1.706 1.011
129 HG SER 19 HG SER 19 -7.004 -3.871 0.410
130 H CYS 20 HN CYS 20 -8.709 0.024 1.308
131 HA CYS 20 HA CYS 20 -11.183 -1.464 1.486
132 HB2 CYS 20 HB2 CYS 20 -11.145 -0.786 3.888
133 HB3 CYS 20 HB1 CYS 20 -9.778 -1.765 3.372
134 H CYS 21 HN CYS 21 -11.010 0.931 -0.203
135 HA CYS 21 HA CYS 21 -13.398 2.203 0.779
136 HB2 CYS 21 HB2 CYS 21 -12.459 4.517 0.587
137 HB3 CYS 21 HB1 CYS 21 -11.824 3.590 1.939
Start of MODEL 8
1 H1 THR 1 HT1 THR 1 -0.780 -6.968 -2.835
2 H2 THR 1 HT2 THR 1 0.415 -7.733 -1.919
3 H3 THR 1 HT3 THR 1 0.701 -6.199 -2.567
4 HA THR 1 HA THR 1 -1.279 -6.875 -0.487
5 HB THR 1 HB THR 1 0.124 -5.390 0.947
6 HG1 THR 1 HG1 THR 1 1.233 -4.603 -1.162
7 HG21 THR 1 HG21 THR 1 1.518 -7.824 -0.171
8 HG22 THR 1 HG22 THR 1 0.328 -7.812 1.131
9 HG23 THR 1 HG23 THR 1 1.898 -7.041 1.361
10 H ARG 2 HN ARG 2 -3.029 -5.712 -0.792
11 HA ARG 2 HA ARG 2 -2.904 -3.049 -1.978
12 HB2 ARG 2 HB2 ARG 2 -4.364 -4.546 -3.053
13 HB3 ARG 2 HB1 ARG 2 -4.993 -5.140 -1.541
14 HG2 ARG 2 HG2 ARG 2 -6.199 -3.100 -1.208
15 HG3 ARG 2 HG1 ARG 2 -5.569 -2.451 -2.712
16 HD2 ARG 2 HD2 ARG 2 -6.682 -4.040 -3.999
17 HD3 ARG 2 HD1 ARG 2 -6.929 -5.078 -2.596
18 HE ARG 2 HE ARG 2 -8.673 -3.607 -1.869
19 HH11 ARG 2 HH11 ARG 2 -7.423 -2.881 -5.059
20 HH12 ARG 2 HH12 ARG 2 -8.843 -2.024 -5.559
21 HH21 ARG 2 HH21 ARG 2 -10.545 -2.487 -2.530
22 HH22 ARG 2 HH22 ARG 2 -10.613 -1.782 -4.114
23 H ILE 3 HN ILE 3 -2.006 -3.589 0.729
24 HA ILE 3 HA ILE 3 -3.548 -3.681 2.847
25 HB ILE 3 HB ILE 3 -1.337 -1.655 2.829
26 HG12 ILE 3 HG12 ILE 3 -1.108 -4.644 3.210
27 HG13 ILE 3 HG11 ILE 3 -0.636 -3.768 1.774
28 HG21 ILE 3 HG21 ILE 3 -2.436 -3.464 4.966
29 HG22 ILE 3 HG22 ILE 3 -2.636 -1.715 4.867
30 HG23 ILE 3 HG23 ILE 3 -1.039 -2.409 5.147
31 HD11 ILE 3 HD11 ILE 3 1.108 -2.628 2.936
32 HD12 ILE 3 HD12 ILE 3 1.255 -4.356 3.254
33 HD13 ILE 3 HD13 ILE 3 0.562 -3.292 4.477
34 H CYS 4 HN CYS 4 -5.452 -2.888 2.884
35 HA CYS 4 HA CYS 4 -7.216 -1.453 3.058
36 HB2 CYS 4 HB2 CYS 4 -5.497 -1.227 5.229
37 HB3 CYS 4 HB1 CYS 4 -5.941 0.436 4.827
38 H CYS 5 HN CYS 5 -7.174 1.317 3.837
39 HA CYS 5 HA CYS 5 -6.559 2.518 1.241
40 HB2 CYS 5 HB2 CYS 5 -8.887 2.621 2.163
41 HB3 CYS 5 HB1 CYS 5 -8.248 3.576 3.487
42 H GLY 6 HN GLY 6 -4.901 3.922 1.074
43 HA2 GLY 6 HA2 GLY 6 -3.978 5.989 2.206
44 HA3 GLY 6 HA1 GLY 6 -3.736 4.928 3.590
45 H CYS 7 HN CYS 7 -1.475 5.327 3.527
46 HA CYS 7 HA CYS 7 -0.132 4.132 1.200
47 HB2 CYS 7 HB2 CYS 7 1.030 6.197 3.072
48 HB3 CYS 7 HB1 CYS 7 1.761 5.584 1.599
49 H TYR 8 HN TYR 8 0.969 2.345 1.572
50 HA TYR 8 HA TYR 8 1.715 1.701 4.337
51 HB2 TYR 8 HB2 TYR 8 1.294 -0.691 3.671
52 HB3 TYR 8 HB1 TYR 8 -0.139 0.312 3.821
53 HD1 TYR 8 HD2 TYR 8 2.276 -0.959 1.307
54 HD2 TYR 8 HD1 TYR 8 -1.693 0.358 2.055
55 HE1 TYR 8 HE2 TYR 8 1.655 -1.584 -0.970
56 HE2 TYR 8 HE1 TYR 8 -2.336 -0.277 -0.233
57 HH TYR 8 HH TYR 8 -1.180 -0.599 -2.450
58 H TRP 9 HN TRP 9 3.465 0.072 4.487
59 HA TRP 9 HA TRP 9 5.453 0.666 2.419
60 HB2 TRP 9 HB2 TRP 9 6.093 1.203 4.749
61 HB3 TRP 9 HB1 TRP 9 5.898 -0.495 5.176
62 HD1 TRP 9 HD1 TRP 9 7.775 -2.184 4.392
63 HE1 TRP 9 HE1 TRP 9 10.153 -1.861 3.455
64 HE3 TRP 9 HE3 TRP 9 7.534 2.797 3.301
65 HZ2 TRP 9 HZ2 TRP 9 11.712 0.255 2.410
66 HZ3 TRP 9 HZ3 TRP 9 9.504 3.893 2.331
67 HH2 TRP 9 HH2 TRP 9 11.549 2.648 1.906
68 H ASN 10 HN ASN 10 5.648 -0.777 0.891
69 HA ASN 10 HA ASN 10 5.367 -3.624 1.577
70 HB2 ASN 10 HB2 ASN 10 3.663 -2.898 -0.002
71 HB3 ASN 10 HB1 ASN 10 4.888 -2.205 -1.054
72 HD21 ASN 10 HD21 ASN 10 5.243 -5.296 0.573
73 HD22 ASN 10 HD22 ASN 10 5.177 -6.256 -0.860
74 H GLY 11 HN GLY 11 7.550 -3.808 2.215
75 HA2 GLY 11 HA2 GLY 11 9.517 -4.883 1.666
76 HA3 GLY 11 HA1 GLY 11 9.172 -4.605 -0.028
77 H SER 12 HN SER 12 9.760 -2.529 -0.951
78 HA SER 12 HA SER 12 12.055 -1.410 0.524
79 HB2 SER 12 HB2 SER 12 12.630 -2.847 -1.447
80 HB3 SER 12 HB1 SER 12 11.803 -1.681 -2.477
81 HG SER 12 HG SER 12 13.408 -0.226 -1.082
82 H LYS 13 HN LYS 13 9.056 -0.676 -0.788
83 HA LYS 13 HA LYS 13 9.638 2.179 -0.544
84 HB2 LYS 13 HB2 LYS 13 8.359 0.864 -2.936
85 HB3 LYS 13 HB1 LYS 13 8.151 2.573 -2.586
86 HG2 LYS 13 HG2 LYS 13 10.597 2.861 -2.738
87 HG3 LYS 13 HG1 LYS 13 10.752 1.157 -3.170
88 HD2 LYS 13 HD2 LYS 13 9.250 3.270 -4.704
89 HD3 LYS 13 HD1 LYS 13 10.810 2.580 -5.148
90 HE2 LYS 13 HE2 LYS 13 9.777 0.382 -5.395
91 HE3 LYS 13 HE1 LYS 13 8.217 1.052 -4.922
92 HZ1 LYS 13 HZ1 LYS 13 8.428 0.829 -7.325
93 HZ2 LYS 13 HZ2 LYS 13 9.765 1.864 -7.321
94 HZ3 LYS 13 HZ3 LYS 13 8.244 2.449 -6.874
95 H ASP 14 HN ASP 14 7.751 3.484 -0.238
96 HA ASP 14 HA ASP 14 5.546 2.035 0.979
97 HB2 ASP 14 HB2 ASP 14 4.763 4.179 1.796
98 HB3 ASP 14 HB1 ASP 14 6.477 4.023 2.148
99 H VAL 15 HN VAL 15 3.690 1.694 0.020
100 HA VAL 15 HA VAL 15 3.240 2.899 -2.613
101 HB VAL 15 HB VAL 15 2.435 0.130 -1.694
102 HG11 VAL 15 HG11 VAL 15 0.857 1.099 -3.284
103 HG12 VAL 15 HG12 VAL 15 1.765 -0.223 -4.020
104 HG13 VAL 15 HG13 VAL 15 2.181 1.448 -4.395
105 HG21 VAL 15 HG21 VAL 15 4.088 -0.696 -3.297
106 HG22 VAL 15 HG22 VAL 15 4.845 0.285 -2.044
107 HG23 VAL 15 HG23 VAL 15 4.577 0.960 -3.651
108 H CYS 16 HN CYS 16 1.614 4.222 -2.521
109 HA CYS 16 HA CYS 16 -0.461 3.876 -0.508
110 HB2 CYS 16 HB2 CYS 16 0.742 6.126 -1.425
111 HB3 CYS 16 HB1 CYS 16 -0.697 6.075 -2.440
112 H SER 17 HN SER 17 -2.412 3.214 -0.864
113 HA SER 17 HA SER 17 -3.483 2.929 -3.552
114 HB2 SER 17 HB2 SER 17 -3.180 0.534 -1.719
115 HB3 SER 17 HB1 SER 17 -3.904 0.542 -3.325
116 HG SER 17 HG SER 17 -1.401 0.089 -2.733
117 H GLN 18 HN GLN 18 -5.760 1.729 -3.248
118 HA GLN 18 HA GLN 18 -6.982 2.800 -0.810
119 HB2 GLN 18 HB2 GLN 18 -7.886 3.258 -3.642
120 HB3 GLN 18 HB1 GLN 18 -8.901 3.586 -2.240
121 HG2 GLN 18 HG2 GLN 18 -7.225 5.159 -1.420
122 HG3 GLN 18 HG1 GLN 18 -6.232 4.806 -2.827
123 HE21 GLN 18 HE21 GLN 18 -7.357 7.326 -1.917
124 HE22 GLN 18 HE22 GLN 18 -8.324 7.919 -3.223
125 H SER 19 HN SER 19 -6.913 0.550 -0.151
126 HA SER 19 HA SER 19 -8.557 -1.378 -1.534
127 HB2 SER 19 HB2 SER 19 -6.526 -1.858 -0.042
128 HB3 SER 19 HB1 SER 19 -7.617 -1.574 1.297
129 HG SER 19 HG SER 19 -7.434 -3.808 0.641
130 H CYS 20 HN CYS 20 -8.656 0.215 1.633
131 HA CYS 20 HA CYS 20 -11.333 -0.761 2.145
132 HB2 CYS 20 HB2 CYS 20 -9.531 0.893 3.924
133 HB3 CYS 20 HB1 CYS 20 -10.965 -0.001 4.417
134 H CYS 21 HN CYS 21 -10.985 1.280 0.101
135 HA CYS 21 HA CYS 21 -13.038 3.059 1.032
136 HB2 CYS 21 HB2 CYS 21 -11.794 5.133 0.389
137 HB3 CYS 21 HB1 CYS 21 -11.154 4.334 1.820
Start of MODEL 9
1 H1 THR 1 HT1 THR 1 -0.661 -7.809 0.369
2 H2 THR 1 HT2 THR 1 -1.965 -7.265 -0.548
3 H3 THR 1 HT3 THR 1 -1.578 -6.498 0.906
4 HA THR 1 HA THR 1 0.500 -5.738 0.011
5 HB THR 1 HB THR 1 0.764 -7.703 -1.539
6 HG1 THR 1 HG1 THR 1 1.268 -5.748 -3.318
7 HG21 THR 1 HG21 THR 1 -1.413 -7.687 -2.605
8 HG22 THR 1 HG22 THR 1 -0.152 -7.479 -3.821
9 HG23 THR 1 HG23 THR 1 -1.097 -6.089 -3.284
10 H ARG 2 HN ARG 2 -2.725 -5.431 -0.280
11 HA ARG 2 HA ARG 2 -2.620 -2.956 -1.800
12 HB2 ARG 2 HB2 ARG 2 -4.086 -4.779 -2.662
13 HB3 ARG 2 HB1 ARG 2 -4.930 -4.794 -1.133
14 HG2 ARG 2 HG2 ARG 2 -6.084 -3.640 -3.027
15 HG3 ARG 2 HG1 ARG 2 -5.926 -2.717 -1.538
16 HD2 ARG 2 HD2 ARG 2 -5.348 -1.246 -3.285
17 HD3 ARG 2 HD1 ARG 2 -3.869 -1.752 -2.468
18 HE ARG 2 HE ARG 2 -4.622 -3.245 -4.850
19 HH11 ARG 2 HH11 ARG 2 -2.569 -0.776 -3.441
20 HH12 ARG 2 HH12 ARG 2 -1.474 -0.757 -4.788
21 HH21 ARG 2 HH21 ARG 2 -3.179 -3.220 -6.602
22 HH22 ARG 2 HH22 ARG 2 -1.816 -2.148 -6.579
23 H ILE 3 HN ILE 3 -1.821 -3.348 0.985
24 HA ILE 3 HA ILE 3 -3.529 -3.480 2.986
25 HB ILE 3 HB ILE 3 -1.236 -1.542 3.059
26 HG12 ILE 3 HG12 ILE 3 -1.239 -4.475 3.778
27 HG13 ILE 3 HG11 ILE 3 -0.692 -3.848 2.239
28 HG21 ILE 3 HG21 ILE 3 -1.185 -2.039 5.440
29 HG22 ILE 3 HG22 ILE 3 -2.570 -3.111 5.256
30 HG23 ILE 3 HG23 ILE 3 -2.754 -1.380 4.976
31 HD11 ILE 3 HD11 ILE 3 1.100 -2.657 3.269
32 HD12 ILE 3 HD12 ILE 3 1.130 -4.327 3.836
33 HD13 ILE 3 HD13 ILE 3 0.488 -3.056 4.875
34 H CYS 4 HN CYS 4 -5.451 -2.668 2.875
35 HA CYS 4 HA CYS 4 -7.205 -1.206 3.000
36 HB2 CYS 4 HB2 CYS 4 -5.578 -0.967 5.226
37 HB3 CYS 4 HB1 CYS 4 -5.913 0.703 4.756
38 H CYS 5 HN CYS 5 -7.211 1.568 3.654
39 HA CYS 5 HA CYS 5 -6.269 2.741 1.144
40 HB2 CYS 5 HB2 CYS 5 -7.994 3.947 3.281
41 HB3 CYS 5 HB1 CYS 5 -7.732 4.593 1.667
42 H GLY 6 HN GLY 6 -4.714 4.277 1.053
43 HA2 GLY 6 HA2 GLY 6 -3.709 6.213 2.300
44 HA3 GLY 6 HA1 GLY 6 -3.487 5.070 3.621
45 H CYS 7 HN CYS 7 -1.229 5.425 3.584
46 HA CYS 7 HA CYS 7 0.107 4.182 1.274
47 HB2 CYS 7 HB2 CYS 7 1.178 6.293 3.155
48 HB3 CYS 7 HB1 CYS 7 2.088 5.541 1.851
49 H TYR 8 HN TYR 8 1.097 2.337 1.671
50 HA TYR 8 HA TYR 8 1.851 1.690 4.434
51 HB2 TYR 8 HB2 TYR 8 1.301 -0.684 3.812
52 HB3 TYR 8 HB1 TYR 8 -0.084 0.387 3.949
53 HD1 TYR 8 HD2 TYR 8 2.240 -1.108 1.476
54 HD2 TYR 8 HD1 TYR 8 -1.613 0.545 2.161
55 HE1 TYR 8 HE2 TYR 8 1.573 -1.750 -0.788
56 HE2 TYR 8 HE1 TYR 8 -2.299 -0.104 -0.109
57 HH TYR 8 HH TYR 8 -1.220 -0.605 -2.290
58 H TRP 9 HN TRP 9 3.558 0.032 4.584
59 HA TRP 9 HA TRP 9 5.515 0.500 2.463
60 HB2 TRP 9 HB2 TRP 9 6.224 0.938 4.800
61 HB3 TRP 9 HB1 TRP 9 5.947 -0.758 5.179
62 HD1 TRP 9 HD1 TRP 9 7.664 -2.542 4.143
63 HE1 TRP 9 HE1 TRP 9 10.057 -2.296 3.223
64 HE3 TRP 9 HE3 TRP 9 7.776 2.530 3.586
65 HZ2 TRP 9 HZ2 TRP 9 11.760 -0.191 2.388
66 HZ3 TRP 9 HZ3 TRP 9 9.818 3.577 2.723
67 HH2 TRP 9 HH2 TRP 9 11.767 2.247 2.147
68 H ASN 10 HN ASN 10 5.439 -0.921 0.878
69 HA ASN 10 HA ASN 10 5.203 -3.770 1.576
70 HB2 ASN 10 HB2 ASN 10 3.370 -3.013 0.144
71 HB3 ASN 10 HB1 ASN 10 4.522 -2.390 -1.029
72 HD21 ASN 10 HD21 ASN 10 4.860 -5.446 0.700
73 HD22 ASN 10 HD22 ASN 10 4.675 -6.451 -0.693
74 H GLY 11 HN GLY 11 7.417 -4.002 1.999
75 HA2 GLY 11 HA2 GLY 11 9.268 -5.151 1.198
76 HA3 GLY 11 HA1 GLY 11 8.858 -4.658 -0.434
77 H SER 12 HN SER 12 9.538 -2.552 -1.156
78 HA SER 12 HA SER 12 11.864 -1.643 0.387
79 HB2 SER 12 HB2 SER 12 11.534 -1.703 -2.613
80 HB3 SER 12 HB1 SER 12 12.964 -1.183 -1.734
81 HG SER 12 HG SER 12 11.847 -3.779 -1.877
82 H LYS 13 HN LYS 13 8.849 -0.660 -0.670
83 HA LYS 13 HA LYS 13 9.584 2.126 -0.279
84 HB2 LYS 13 HB2 LYS 13 8.402 1.045 -2.808
85 HB3 LYS 13 HB1 LYS 13 8.095 2.704 -2.311
86 HG2 LYS 13 HG2 LYS 13 10.465 3.184 -2.361
87 HG3 LYS 13 HG1 LYS 13 10.820 1.500 -2.746
88 HD2 LYS 13 HD2 LYS 13 10.917 2.795 -4.761
89 HD3 LYS 13 HD1 LYS 13 9.521 1.726 -4.794
90 HE2 LYS 13 HE2 LYS 13 8.927 3.922 -5.653
91 HE3 LYS 13 HE1 LYS 13 8.072 3.592 -4.147
92 HZ1 LYS 13 HZ1 LYS 13 9.693 4.943 -2.972
93 HZ2 LYS 13 HZ2 LYS 13 8.953 5.841 -4.197
94 HZ3 LYS 13 HZ3 LYS 13 10.522 5.250 -4.413
95 H ASP 14 HN ASP 14 7.706 3.557 -0.157
96 HA ASP 14 HA ASP 14 5.438 2.341 1.170
97 HB2 ASP 14 HB2 ASP 14 5.929 5.242 0.438
98 HB3 ASP 14 HB1 ASP 14 4.659 4.647 1.496
99 H VAL 15 HN VAL 15 3.620 1.794 0.156
100 HA VAL 15 HA VAL 15 3.159 2.836 -2.550
101 HB VAL 15 HB VAL 15 2.410 0.086 -1.530
102 HG11 VAL 15 HG11 VAL 15 1.841 -0.378 -3.867
103 HG12 VAL 15 HG12 VAL 15 2.222 1.291 -4.290
104 HG13 VAL 15 HG13 VAL 15 0.869 0.941 -3.214
105 HG21 VAL 15 HG21 VAL 15 4.135 -0.749 -3.080
106 HG22 VAL 15 HG22 VAL 15 4.816 0.242 -1.790
107 HG23 VAL 15 HG23 VAL 15 4.622 0.915 -3.410
108 H CYS 16 HN CYS 16 1.526 4.159 -2.473
109 HA CYS 16 HA CYS 16 -0.570 3.829 -0.477
110 HB2 CYS 16 HB2 CYS 16 -0.453 6.019 -2.518
111 HB3 CYS 16 HB1 CYS 16 -1.213 6.040 -0.938
112 H SER 17 HN SER 17 -2.743 3.667 -0.958
113 HA SER 17 HA SER 17 -3.903 3.636 -3.494
114 HB2 SER 17 HB2 SER 17 -4.319 1.184 -3.754
115 HB3 SER 17 HB1 SER 17 -2.629 1.635 -3.969
116 HG SER 17 HG SER 17 -2.420 1.058 -1.660
117 H GLN 18 HN GLN 18 -6.060 2.107 -3.302
118 HA GLN 18 HA GLN 18 -7.191 2.744 -0.665
119 HB2 GLN 18 HB2 GLN 18 -8.507 3.104 -3.364
120 HB3 GLN 18 HB1 GLN 18 -9.292 3.331 -1.816
121 HG2 GLN 18 HG2 GLN 18 -8.794 5.467 -2.543
122 HG3 GLN 18 HG1 GLN 18 -7.583 5.080 -1.334
123 HE21 GLN 18 HE21 GLN 18 -6.132 6.590 -2.110
124 HE22 GLN 18 HE22 GLN 18 -5.288 6.387 -3.604
125 H SER 19 HN SER 19 -6.743 0.428 -0.201
126 HA SER 19 HA SER 19 -8.140 -1.617 -1.618
127 HB2 SER 19 HB2 SER 19 -6.176 -1.886 0.027
128 HB3 SER 19 HB1 SER 19 -7.403 -1.782 1.274
129 HG SER 19 HG SER 19 -8.471 -3.558 0.219
130 H CYS 20 HN CYS 20 -8.687 0.123 1.405
131 HA CYS 20 HA CYS 20 -11.102 -1.330 1.978
132 HB2 CYS 20 HB2 CYS 20 -9.676 0.833 3.521
133 HB3 CYS 20 HB1 CYS 20 -11.052 -0.091 4.116
134 H CYS 21 HN CYS 21 -10.735 0.895 -0.163
135 HA CYS 21 HA CYS 21 -13.349 2.013 0.178
136 HB2 CYS 21 HB2 CYS 21 -12.512 4.393 -0.023
137 HB3 CYS 21 HB1 CYS 21 -12.234 3.624 1.532
Start of MODEL 10
1 H1 THR 1 HT1 THR 1 0.471 -7.778 0.471
2 H2 THR 1 HT2 THR 1 -1.179 -7.423 0.587
3 H3 THR 1 HT3 THR 1 -0.057 -6.534 1.486
4 HA THR 1 HA THR 1 0.886 -5.589 -0.472
5 HB THR 1 HB THR 1 -1.191 -7.184 -1.988
6 HG1 THR 1 HG1 THR 1 1.545 -7.551 -2.424
7 HG21 THR 1 HG21 THR 1 -0.036 -6.355 -3.986
8 HG22 THR 1 HG22 THR 1 1.031 -5.390 -2.967
9 HG23 THR 1 HG23 THR 1 -0.692 -5.031 -3.025
10 H ARG 2 HN ARG 2 -2.599 -6.302 -0.767
11 HA ARG 2 HA ARG 2 -3.303 -3.592 -1.165
12 HB2 ARG 2 HB2 ARG 2 -4.397 -5.722 -2.073
13 HB3 ARG 2 HB1 ARG 2 -5.189 -5.824 -0.511
14 HG2 ARG 2 HG2 ARG 2 -6.595 -4.152 -0.960
15 HG3 ARG 2 HG1 ARG 2 -5.391 -3.236 -1.850
16 HD2 ARG 2 HD2 ARG 2 -7.029 -3.889 -3.406
17 HD3 ARG 2 HD1 ARG 2 -5.617 -4.911 -3.638
18 HE ARG 2 HE ARG 2 -6.899 -6.581 -2.210
19 HH11 ARG 2 HH11 ARG 2 -8.458 -4.286 -4.353
20 HH12 ARG 2 HH12 ARG 2 -9.855 -5.278 -4.602
21 HH21 ARG 2 HH21 ARG 2 -8.724 -7.894 -2.556
22 HH22 ARG 2 HH22 ARG 2 -10.010 -7.332 -3.580
23 H ILE 3 HN ILE 3 -2.027 -3.932 1.446
24 HA ILE 3 HA ILE 3 -3.859 -4.188 3.547
25 HB ILE 3 HB ILE 3 -1.879 -2.366 4.385
26 HG12 ILE 3 HG12 ILE 3 -0.754 -4.594 2.696
27 HG13 ILE 3 HG11 ILE 3 -0.776 -2.899 2.251
28 HG21 ILE 3 HG21 ILE 3 -2.092 -5.347 4.686
29 HG22 ILE 3 HG22 ILE 3 -2.800 -4.132 5.747
30 HG23 ILE 3 HG23 ILE 3 -1.049 -4.301 5.642
31 HD11 ILE 3 HD11 ILE 3 1.410 -3.466 3.052
32 HD12 ILE 3 HD12 ILE 3 0.731 -4.140 4.534
33 HD13 ILE 3 HD13 ILE 3 0.631 -2.407 4.229
34 H CYS 4 HN CYS 4 -5.630 -3.112 3.224
35 HA CYS 4 HA CYS 4 -7.093 -1.444 2.719
36 HB2 CYS 4 HB2 CYS 4 -5.817 -0.735 5.318
37 HB3 CYS 4 HB1 CYS 4 -7.148 0.223 4.649
38 H CYS 5 HN CYS 5 -7.149 1.272 3.436
39 HA CYS 5 HA CYS 5 -5.834 2.187 1.009
40 HB2 CYS 5 HB2 CYS 5 -7.688 3.882 1.035
41 HB3 CYS 5 HB1 CYS 5 -8.193 2.199 0.915
42 H GLY 6 HN GLY 6 -4.638 3.992 0.931
43 HA2 GLY 6 HA2 GLY 6 -4.047 6.118 2.197
44 HA3 GLY 6 HA1 GLY 6 -3.764 5.022 3.549
45 H CYS 7 HN CYS 7 -1.559 5.357 3.727
46 HA CYS 7 HA CYS 7 0.018 4.417 1.424
47 HB2 CYS 7 HB2 CYS 7 0.830 6.406 3.553
48 HB3 CYS 7 HB1 CYS 7 1.866 5.823 2.254
49 H TYR 8 HN TYR 8 1.038 2.546 1.753
50 HA TYR 8 HA TYR 8 1.867 1.881 4.487
51 HB2 TYR 8 HB2 TYR 8 1.467 -0.538 3.805
52 HB3 TYR 8 HB1 TYR 8 0.045 0.424 4.156
53 HD1 TYR 8 HD2 TYR 8 2.168 -0.081 1.126
54 HD2 TYR 8 HD1 TYR 8 -1.729 -0.214 2.809
55 HE1 TYR 8 HE2 TYR 8 1.259 -0.710 -1.060
56 HE2 TYR 8 HE1 TYR 8 -2.660 -0.839 0.616
57 HH TYR 8 HH TYR 8 -2.021 -0.605 -1.783
58 H TRP 9 HN TRP 9 3.712 0.448 4.619
59 HA TRP 9 HA TRP 9 5.567 0.886 2.435
60 HB2 TRP 9 HB2 TRP 9 6.375 1.164 4.750
61 HB3 TRP 9 HB1 TRP 9 5.998 -0.525 5.081
62 HD1 TRP 9 HD1 TRP 9 7.672 -2.355 4.186
63 HE1 TRP 9 HE1 TRP 9 10.021 -2.246 3.141
64 HE3 TRP 9 HE3 TRP 9 7.896 2.664 3.241
65 HZ2 TRP 9 HZ2 TRP 9 11.743 -0.273 2.079
66 HZ3 TRP 9 HZ3 TRP 9 9.925 3.577 2.205
67 HH2 TRP 9 HH2 TRP 9 11.807 2.142 1.644
68 H ASN 10 HN ASN 10 5.051 -0.401 0.758
69 HA ASN 10 HA ASN 10 4.538 -3.226 1.223
70 HB2 ASN 10 HB2 ASN 10 3.174 -1.916 -0.422
71 HB3 ASN 10 HB1 ASN 10 4.623 -1.720 -1.401
72 HD21 ASN 10 HD21 ASN 10 2.138 -2.990 -2.122
73 HD22 ASN 10 HD22 ASN 10 2.528 -4.627 -2.526
74 H GLY 11 HN GLY 11 6.609 -3.796 1.991
75 HA2 GLY 11 HA2 GLY 11 8.501 -5.031 1.651
76 HA3 GLY 11 HA1 GLY 11 8.155 -4.977 -0.059
77 H SER 12 HN SER 12 8.755 -2.860 -1.158
78 HA SER 12 HA SER 12 11.451 -2.214 -0.174
79 HB2 SER 12 HB2 SER 12 11.286 -3.567 -2.286
80 HB3 SER 12 HB1 SER 12 10.507 -2.181 -3.048
81 HG SER 12 HG SER 12 12.366 -1.156 -3.136
82 H LYS 13 HN LYS 13 8.405 -0.844 -0.930
83 HA LYS 13 HA LYS 13 9.516 1.823 -0.590
84 HB2 LYS 13 HB2 LYS 13 8.140 0.907 -3.075
85 HB3 LYS 13 HB1 LYS 13 8.012 2.584 -2.562
86 HG2 LYS 13 HG2 LYS 13 10.463 2.768 -2.605
87 HG3 LYS 13 HG1 LYS 13 10.562 1.092 -3.146
88 HD2 LYS 13 HD2 LYS 13 10.771 2.527 -5.047
89 HD3 LYS 13 HD1 LYS 13 9.231 1.681 -5.103
90 HE2 LYS 13 HE2 LYS 13 8.099 3.665 -4.238
91 HE3 LYS 13 HE1 LYS 13 9.643 4.513 -4.169
92 HZ1 LYS 13 HZ1 LYS 13 8.294 3.511 -6.618
93 HZ2 LYS 13 HZ2 LYS 13 9.818 4.237 -6.586
94 HZ3 LYS 13 HZ3 LYS 13 8.450 5.129 -6.147
95 H ASP 14 HN ASP 14 7.935 3.455 -0.191
96 HA ASP 14 HA ASP 14 5.580 2.492 1.186
97 HB2 ASP 14 HB2 ASP 14 6.863 4.322 2.177
98 HB3 ASP 14 HB1 ASP 14 6.639 5.292 0.727
99 H VAL 15 HN VAL 15 3.739 2.156 0.169
100 HA VAL 15 HA VAL 15 3.298 3.475 -2.416
101 HB VAL 15 HB VAL 15 2.584 0.631 -1.668
102 HG11 VAL 15 HG11 VAL 15 0.931 1.626 -3.153
103 HG12 VAL 15 HG12 VAL 15 1.878 0.402 -3.998
104 HG13 VAL 15 HG13 VAL 15 2.209 2.113 -4.267
105 HG21 VAL 15 HG21 VAL 15 4.655 1.684 -3.590
106 HG22 VAL 15 HG22 VAL 15 4.217 -0.011 -3.384
107 HG23 VAL 15 HG23 VAL 15 4.967 0.873 -2.056
108 H CYS 16 HN CYS 16 1.648 4.776 -2.243
109 HA CYS 16 HA CYS 16 -0.516 4.184 -0.387
110 HB2 CYS 16 HB2 CYS 16 -0.427 6.550 -2.223
111 HB3 CYS 16 HB1 CYS 16 -1.278 6.386 -0.699
112 H SER 17 HN SER 17 -2.635 3.923 -0.978
113 HA SER 17 HA SER 17 -3.719 4.051 -3.535
114 HB2 SER 17 HB2 SER 17 -3.913 1.583 -4.032
115 HB3 SER 17 HB1 SER 17 -2.289 2.243 -4.222
116 HG SER 17 HG SER 17 -2.149 1.505 -1.856
117 H GLN 18 HN GLN 18 -5.892 3.100 -3.627
118 HA GLN 18 HA GLN 18 -7.041 3.134 -0.948
119 HB2 GLN 18 HB2 GLN 18 -8.263 3.541 -3.664
120 HB3 GLN 18 HB1 GLN 18 -9.187 3.548 -2.166
121 HG2 GLN 18 HG2 GLN 18 -7.901 5.434 -1.372
122 HG3 GLN 18 HG1 GLN 18 -6.914 5.370 -2.826
123 HE21 GLN 18 HE21 GLN 18 -7.783 6.066 -4.786
124 HE22 GLN 18 HE22 GLN 18 -9.218 7.030 -4.860
125 H SER 19 HN SER 19 -6.348 0.954 -0.536
126 HA SER 19 HA SER 19 -7.396 -1.293 -1.966
127 HB2 SER 19 HB2 SER 19 -6.334 -1.110 0.837
128 HB3 SER 19 HB1 SER 19 -6.453 -2.557 -0.149
129 HG SER 19 HG SER 19 -4.463 -0.803 -0.035
130 H CYS 20 HN CYS 20 -8.088 -0.105 1.352
131 HA CYS 20 HA CYS 20 -10.623 -1.547 1.334
132 HB2 CYS 20 HB2 CYS 20 -9.197 -0.061 3.550
133 HB3 CYS 20 HB1 CYS 20 -10.746 -0.870 3.741
134 H CYS 21 HN CYS 21 -9.947 1.076 -0.096
135 HA CYS 21 HA CYS 21 -12.293 2.546 0.870
136 HB2 CYS 21 HB2 CYS 21 -9.590 3.623 0.104
137 HB3 CYS 21 HB1 CYS 21 -11.027 4.626 -0.024
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