Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
625673 | 6ena RC | 34183 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 -12.383 -8.465 -2.862
2 H2 GLY 1 HT2 GLY 1 -11.763 -7.880 -1.377
3 H3 GLY 1 HT3 GLY 1 -10.791 -8.828 -2.378
4 HA2 GLY 1 HA1 GLY 1 -10.722 -7.143 -4.010
5 HA3 GLY 1 HA2 GLY 1 -11.822 -6.166 -3.034
6 H CYS 2 HN CYS 2 -9.221 -5.377 -3.815
7 HA CYS 2 HA CYS 2 -7.986 -5.194 -1.161
8 HB2 CYS 2 HB2 CYS 2 -5.797 -5.354 -2.182
9 HB3 CYS 2 HB1 CYS 2 -6.727 -6.780 -2.645
10 H ILE 3 HN ILE 3 -6.347 -3.305 -1.354
11 HA ILE 3 HA ILE 3 -7.628 -1.083 -2.692
12 HB ILE 3 HB ILE 3 -5.076 -1.138 -1.058
13 HG12 ILE 3 HG12 ILE 3 -7.871 -0.412 -0.180
14 HG13 ILE 3 HG11 ILE 3 -7.027 -1.896 0.253
15 HG21 ILE 3 HG21 ILE 3 -5.482 1.297 -0.829
16 HG22 ILE 3 HG22 ILE 3 -6.881 1.147 -1.897
17 HG23 ILE 3 HG23 ILE 3 -5.261 0.807 -2.509
18 HD11 ILE 3 HD11 ILE 3 -5.324 -0.562 1.404
19 HD12 ILE 3 HD12 ILE 3 -6.942 -0.324 2.061
20 HD13 ILE 3 HD13 ILE 3 -6.233 0.899 1.001
21 H ALA 4 HN ALA 4 -6.896 -0.296 -4.554
22 HA ALA 4 HA ALA 4 -4.959 -1.739 -6.060
23 HB1 ALA 4 HB1 ALA 4 -6.306 0.896 -6.656
24 HB2 ALA 4 HB2 ALA 4 -6.902 -0.696 -7.129
25 HB3 ALA 4 HB3 ALA 4 -5.395 -0.080 -7.808
26 H THR 5 HN THR 5 -2.946 -0.934 -6.818
27 HA THR 5 HA THR 5 -1.707 0.563 -4.783
28 HB THR 5 HB THR 5 0.361 0.201 -5.978
29 HG1 THR 5 HG1 THR 5 -0.720 0.066 -8.126
30 HG21 THR 5 HG21 THR 5 -0.384 -1.401 -4.371
31 HG22 THR 5 HG22 THR 5 0.368 -2.258 -5.719
32 HG23 THR 5 HG23 THR 5 -1.388 -2.205 -5.574
33 H GLY 6 HN GLY 6 -0.890 2.502 -4.785
34 HA2 GLY 6 HA2 GLY 6 -0.471 4.652 -5.766
35 HA3 GLY 6 HA1 GLY 6 -1.631 4.248 -7.033
36 H SER 7 HN SER 7 -3.296 3.016 -4.744
37 HA SER 7 HA SER 7 -4.689 5.460 -4.115
38 HB2 SER 7 HB2 SER 7 -5.467 2.576 -3.673
39 HB3 SER 7 HB1 SER 7 -6.518 3.979 -3.459
40 HG SER 7 HG SER 7 -5.365 4.080 -5.855
41 H PHE 8 HN PHE 8 -5.539 5.742 -1.955
42 HA PHE 8 HA PHE 8 -3.516 5.763 0.018
43 HB2 PHE 8 HB2 PHE 8 -5.163 7.542 -0.210
44 HB3 PHE 8 HB1 PHE 8 -6.470 6.413 0.088
45 HD1 PHE 8 HD1 PHE 8 -3.562 8.085 1.648
46 HD2 PHE 8 HD2 PHE 8 -7.204 5.980 2.280
47 HE1 PHE 8 HE1 PHE 8 -3.493 8.684 4.024
48 HE2 PHE 8 HE2 PHE 8 -7.139 6.567 4.667
49 HZ PHE 8 HZ PHE 8 -5.280 7.927 5.544
50 H CYS 9 HN CYS 9 -3.156 4.400 1.655
51 HA CYS 9 HA CYS 9 -5.091 2.193 2.101
52 HB2 CYS 9 HB2 CYS 9 -3.340 0.720 2.523
53 HB3 CYS 9 HB1 CYS 9 -2.672 1.704 1.223
54 H THR 10 HN THR 10 -5.315 1.490 4.326
55 HA THR 10 HA THR 10 -4.243 3.398 6.236
56 HB THR 10 HB THR 10 -5.911 2.360 7.851
57 HG1 THR 10 HG1 THR 10 -7.605 1.167 6.891
58 HG21 THR 10 HG21 THR 10 -7.858 3.535 6.901
59 HG22 THR 10 HG22 THR 10 -7.044 3.594 5.337
60 HG23 THR 10 HG23 THR 10 -6.378 4.477 6.705
61 H LEU 11 HN LEU 11 -4.250 0.112 5.165
62 HA LEU 11 HA LEU 11 -1.920 -0.476 6.810
63 HB2 LEU 11 HB2 LEU 11 -4.324 -2.281 6.467
64 HB3 LEU 11 HB1 LEU 11 -2.793 -2.783 7.138
65 HG LEU 11 HG LEU 11 -4.625 -0.725 8.383
66 HD11 LEU 11 HD11 LEU 11 -4.143 -3.616 9.099
67 HD12 LEU 11 HD12 LEU 11 -5.621 -2.950 8.403
68 HD13 LEU 11 HD13 LEU 11 -5.116 -2.472 10.024
69 HD21 LEU 11 HD21 LEU 11 -2.276 -0.390 8.971
70 HD22 LEU 11 HD22 LEU 11 -2.135 -2.086 9.427
71 HD23 LEU 11 HD23 LEU 11 -3.179 -1.009 10.352
72 H SER 12 HN SER 12 -0.436 -1.757 5.714
73 HA SER 12 HA SER 12 -0.346 -1.818 2.931
74 HB2 SER 12 HB2 SER 12 1.501 -3.490 3.380
75 HB3 SER 12 HB1 SER 12 1.655 -1.919 4.182
76 HG SER 12 HG SER 12 1.514 -4.365 5.257
77 H LYS 13 HN LYS 13 -1.584 -4.024 5.216
78 HA LYS 13 HA LYS 13 -1.782 -6.469 3.897
79 HB2 LYS 13 HB2 LYS 13 -3.673 -5.225 5.881
80 HB3 LYS 13 HB1 LYS 13 -3.799 -6.877 5.323
81 HG2 LYS 13 HG2 LYS 13 -2.805 -6.888 7.443
82 HG3 LYS 13 HG1 LYS 13 -1.558 -7.285 6.247
83 HD2 LYS 13 HD2 LYS 13 -0.636 -5.058 6.437
84 HD3 LYS 13 HD1 LYS 13 -1.955 -4.571 7.502
85 HE2 LYS 13 HE2 LYS 13 0.102 -5.051 8.754
86 HE3 LYS 13 HE1 LYS 13 -1.212 -6.138 9.194
87 HZ1 LYS 13 HZ1 LYS 13 1.006 -6.804 7.329
88 HZ2 LYS 13 HZ2 LYS 13 -0.210 -7.864 7.828
89 HZ3 LYS 13 HZ3 LYS 13 0.903 -7.278 8.932
90 H GLY 14 HN GLY 14 -3.855 -3.715 3.856
91 HA2 GLY 14 HA2 GLY 14 -6.013 -4.889 2.414
92 HA3 GLY 14 HA1 GLY 14 -5.753 -3.168 2.644
93 H CYS 15 HN CYS 15 -3.007 -3.630 1.392
94 HA CYS 15 HA CYS 15 -3.832 -2.888 -1.272
95 HB2 CYS 15 HB2 CYS 15 -1.063 -3.347 -0.180
96 HB3 CYS 15 HB1 CYS 15 -1.507 -2.418 -1.606
97 H CYS 16 HN CYS 16 -3.619 -4.168 -3.119
98 HA CYS 16 HA CYS 16 -3.407 -6.930 -2.859
99 HB2 CYS 16 HB2 CYS 16 -3.378 -5.147 -5.226
100 HB3 CYS 16 HB1 CYS 16 -2.709 -6.756 -5.464
101 H THR 17 HN THR 17 -0.749 -4.626 -3.448
102 HA THR 17 HA THR 17 1.123 -6.668 -3.971
103 HB THR 17 HB THR 17 2.680 -4.714 -3.516
104 HG1 THR 17 HG1 THR 17 1.755 -2.789 -3.161
105 HG21 THR 17 HG21 THR 17 0.492 -4.519 -5.592
106 HG22 THR 17 HG22 THR 17 2.041 -5.353 -5.783
107 HG23 THR 17 HG23 THR 17 1.985 -3.594 -5.621
108 H LYS 18 HN LYS 18 -0.415 -5.813 -1.072
109 HA LYS 18 HA LYS 18 -0.011 -6.015 1.127
110 HB2 LYS 18 HB2 LYS 18 2.039 -7.975 0.098
111 HB3 LYS 18 HB1 LYS 18 1.811 -7.696 1.815
112 HG2 LYS 18 HG2 LYS 18 -0.329 -8.634 -0.079
113 HG3 LYS 18 HG1 LYS 18 0.613 -9.677 0.989
114 HD2 LYS 18 HD2 LYS 18 -0.233 -8.373 2.931
115 HD3 LYS 18 HD1 LYS 18 -1.253 -7.451 1.828
116 HE2 LYS 18 HE2 LYS 18 -2.487 -9.239 2.940
117 HE3 LYS 18 HE1 LYS 18 -2.435 -9.472 1.196
118 HZ1 LYS 18 HZ1 LYS 18 -2.018 -11.510 2.466
119 HZ2 LYS 18 HZ2 LYS 18 -0.627 -10.817 3.127
120 HZ3 LYS 18 HZ3 LYS 18 -0.725 -11.105 1.464
121 H ASN 19 HN ASN 19 1.437 -4.030 -0.478
122 HA ASN 19 HA ASN 19 3.344 -3.269 1.591
123 HB2 ASN 19 HB2 ASN 19 4.654 -4.234 -0.263
124 HB3 ASN 19 HB1 ASN 19 3.895 -3.106 -1.382
125 HD21 ASN 19 HD21 ASN 19 5.842 -2.091 -1.960
126 HD22 ASN 19 HD22 ASN 19 6.677 -1.078 -0.859
127 H CYS 20 HN CYS 20 2.824 -1.330 2.285
128 HA CYS 20 HA CYS 20 1.860 0.598 0.346
129 HB2 CYS 20 HB2 CYS 20 -0.054 -0.152 1.712
130 HB3 CYS 20 HB1 CYS 20 0.836 0.253 3.179
131 H GLY 21 HN GLY 21 2.768 2.591 0.566
132 HA2 GLY 21 HA2 GLY 21 5.267 2.552 1.966
133 HA3 GLY 21 HA1 GLY 21 4.662 3.810 0.903
134 H TRP 22 HN TRP 22 5.971 4.614 3.045
135 HA TRP 22 HA TRP 22 4.449 5.071 5.349
136 HB2 TRP 22 HB2 TRP 22 6.135 6.692 5.881
137 HB3 TRP 22 HB1 TRP 22 6.957 5.266 5.334
138 HD1 TRP 22 HD1 TRP 22 7.330 5.686 2.300
139 HE1 TRP 22 HE1 TRP 22 8.528 7.732 1.328
140 HE3 TRP 22 HE3 TRP 22 6.910 8.697 6.272
141 HZ2 TRP 22 HZ2 TRP 22 9.238 10.353 2.192
142 HZ3 TRP 22 HZ3 TRP 22 7.883 11.010 6.187
143 HH2 TRP 22 HH2 TRP 22 9.024 11.794 4.169
144 H ASN 23 HN ASN 23 4.258 6.329 2.238
145 HA ASN 23 HA ASN 23 3.200 8.919 2.951
146 HB2 ASN 23 HB2 ASN 23 3.006 9.297 0.582
147 HB3 ASN 23 HB1 ASN 23 4.585 8.601 0.920
148 HD21 ASN 23 HD21 ASN 23 3.103 8.688 -1.558
149 HD22 ASN 23 HD22 ASN 23 2.920 7.054 -2.080
150 H PHE 24 HN PHE 24 2.058 5.899 3.090
151 HA PHE 24 HA PHE 24 0.064 4.989 3.458
152 HB2 PHE 24 HB2 PHE 24 -0.894 7.839 3.369
153 HB3 PHE 24 HB1 PHE 24 -1.994 6.489 3.626
154 HD1 PHE 24 HD1 PHE 24 0.673 8.517 5.064
155 HD2 PHE 24 HD2 PHE 24 -1.897 5.179 5.646
156 HE1 PHE 24 HE1 PHE 24 1.213 8.522 7.460
157 HE2 PHE 24 HE2 PHE 24 -1.361 5.177 8.038
158 HZ PHE 24 HZ PHE 24 0.193 6.848 8.949
159 H LYS 25 HN LYS 25 1.125 5.321 0.759
160 HA LYS 25 HA LYS 25 -1.402 4.691 -0.585
161 HB2 LYS 25 HB2 LYS 25 1.096 5.907 -1.658
162 HB3 LYS 25 HB1 LYS 25 -0.210 5.339 -2.706
163 HG2 LYS 25 HG2 LYS 25 -1.687 7.023 -1.756
164 HG3 LYS 25 HG1 LYS 25 -0.418 7.526 -0.635
165 HD2 LYS 25 HD2 LYS 25 0.995 8.138 -2.550
166 HD3 LYS 25 HD1 LYS 25 -0.317 7.697 -3.644
167 HE2 LYS 25 HE2 LYS 25 -1.714 9.428 -2.751
168 HE3 LYS 25 HE1 LYS 25 -0.536 9.775 -1.484
169 HZ1 LYS 25 HZ1 LYS 25 1.015 10.467 -3.197
170 HZ2 LYS 25 HZ2 LYS 25 -0.383 11.395 -3.225
171 HZ3 LYS 25 HZ3 LYS 25 -0.143 10.201 -4.392
172 H CYS 26 HN CYS 26 -1.448 2.787 -1.676
173 HA CYS 26 HA CYS 26 0.333 0.783 -0.824
174 HB2 CYS 26 HB2 CYS 26 -1.751 0.785 -2.985
175 HB3 CYS 26 HB1 CYS 26 -0.955 -0.674 -2.373
176 H ASN 27 HN ASN 27 2.157 0.002 -1.710
177 HA ASN 27 HA ASN 27 3.035 1.212 -4.238
178 HB2 ASN 27 HB2 ASN 27 4.668 0.523 -1.781
179 HB3 ASN 27 HB1 ASN 27 5.384 0.900 -3.337
180 HD21 ASN 27 HD21 ASN 27 5.751 2.239 -0.851
181 HD22 ASN 27 HD22 ASN 27 5.217 3.867 -1.072
182 HA HYP 28 HA HYP 28 3.827 -2.944 -5.685
183 HB2 HYP 28 HB1 HYP 28 5.095 -2.702 -7.631
184 HB3 HYP 28 HB2 HYP 28 6.315 -1.715 -6.816
185 HG HYP 28 HG HYP 28 5.056 -0.136 -8.081
186 HD22 HYP 28 HD11 HYP 28 3.397 0.645 -6.109
187 HD23 HYP 28 HD12 HYP 28 5.158 0.751 -5.882
188 HD1 HYP 28 HD2 HYP 28 2.748 -0.177 -7.819
189 HA HYP 29 HA HYP 29 6.890 -4.711 -2.991
190 HB2 HYP 29 HB1 HYP 29 6.718 -6.925 -3.418
191 HB3 HYP 29 HB2 HYP 29 7.604 -6.737 -4.940
192 HG HYP 29 HG HYP 29 5.372 -7.305 -5.681
193 HD22 HYP 29 HD11 HYP 29 4.468 -4.884 -6.155
194 HD23 HYP 29 HD12 HYP 29 6.132 -5.212 -6.713
195 HD1 HYP 29 HD2 HYP 29 4.515 -5.441 -3.839
196 H ASN 30 HN ASN 30 9.006 -4.546 -2.615
197 HA ASN 30 HA ASN 30 11.093 -3.821 -2.767
198 HB2 ASN 30 HB2 ASN 30 11.477 -5.950 -3.933
199 HB3 ASN 30 HB1 ASN 30 11.049 -5.206 -5.467
200 HD21 ASN 30 HD21 ASN 30 13.057 -5.776 -6.327
201 HD22 ASN 30 HD22 ASN 30 14.510 -4.952 -5.897
202 H GLN 31 HN GLN 31 10.127 -1.792 -2.766
203 HA GLN 31 HA GLN 31 10.978 -0.179 -5.066
204 HB2 GLN 31 HB2 GLN 31 8.433 0.136 -3.452
205 HB3 GLN 31 HB1 GLN 31 9.052 1.363 -4.544
206 HG2 GLN 31 HG2 GLN 31 8.346 -1.427 -5.399
207 HG3 GLN 31 HG1 GLN 31 7.226 -0.071 -5.458
208 HE21 GLN 31 HE21 GLN 31 10.127 -1.434 -6.786
209 HE22 GLN 31 HE22 GLN 31 10.154 -0.460 -8.223
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 -11.450 -8.336 -1.931
2 H2 GLY 1 HT2 GLY 1 -12.729 -8.151 -3.022
3 H3 GLY 1 HT3 GLY 1 -12.478 -7.004 -1.801
4 HA2 GLY 1 HA1 GLY 1 -10.675 -7.571 -4.037
5 HA3 GLY 1 HA2 GLY 1 -11.734 -6.168 -3.910
6 H CYS 2 HN CYS 2 -8.777 -6.362 -4.078
7 HA CYS 2 HA CYS 2 -7.943 -5.383 -1.462
8 HB2 CYS 2 HB2 CYS 2 -5.651 -5.595 -2.438
9 HB3 CYS 2 HB1 CYS 2 -6.539 -7.115 -2.400
10 H ILE 3 HN ILE 3 -6.526 -3.462 -1.444
11 HA ILE 3 HA ILE 3 -7.673 -1.365 -3.034
12 HB ILE 3 HB ILE 3 -5.410 -1.253 -1.010
13 HG12 ILE 3 HG12 ILE 3 -8.347 -0.618 -0.663
14 HG13 ILE 3 HG11 ILE 3 -7.546 -2.061 -0.054
15 HG21 ILE 3 HG21 ILE 3 -5.918 1.159 -0.924
16 HG22 ILE 3 HG22 ILE 3 -7.100 0.943 -2.217
17 HG23 ILE 3 HG23 ILE 3 -5.390 0.647 -2.528
18 HD11 ILE 3 HD11 ILE 3 -6.946 0.769 0.757
19 HD12 ILE 3 HD12 ILE 3 -6.152 -0.677 1.382
20 HD13 ILE 3 HD13 ILE 3 -7.869 -0.408 1.690
21 H ALA 4 HN ALA 4 -6.930 -0.758 -4.905
22 HA ALA 4 HA ALA 4 -4.694 -1.947 -6.125
23 HB1 ALA 4 HB1 ALA 4 -5.126 -0.418 -7.986
24 HB2 ALA 4 HB2 ALA 4 -6.256 0.486 -6.979
25 HB3 ALA 4 HB3 ALA 4 -6.608 -1.186 -7.423
26 H THR 5 HN THR 5 -2.746 -1.009 -6.765
27 HA THR 5 HA THR 5 -1.676 0.576 -4.727
28 HB THR 5 HB THR 5 0.429 0.384 -5.923
29 HG1 THR 5 HG1 THR 5 0.462 -0.855 -7.855
30 HG21 THR 5 HG21 THR 5 -1.154 -2.153 -5.661
31 HG22 THR 5 HG22 THR 5 -0.258 -1.324 -4.386
32 HG23 THR 5 HG23 THR 5 0.602 -2.053 -5.742
33 H GLY 6 HN GLY 6 -0.815 2.597 -4.763
34 HA2 GLY 6 HA2 GLY 6 -0.546 4.754 -5.738
35 HA3 GLY 6 HA1 GLY 6 -1.781 4.334 -6.926
36 H SER 7 HN SER 7 -3.320 3.067 -4.633
37 HA SER 7 HA SER 7 -4.721 5.495 -3.936
38 HB2 SER 7 HB2 SER 7 -5.474 2.604 -3.525
39 HB3 SER 7 HB1 SER 7 -6.511 3.986 -3.167
40 HG SER 7 HG SER 7 -5.496 3.205 -5.716
41 H PHE 8 HN PHE 8 -5.591 5.731 -1.736
42 HA PHE 8 HA PHE 8 -3.522 5.889 0.151
43 HB2 PHE 8 HB2 PHE 8 -5.353 7.490 0.099
44 HB3 PHE 8 HB1 PHE 8 -6.509 6.218 0.445
45 HD1 PHE 8 HD1 PHE 8 -3.615 8.040 1.878
46 HD2 PHE 8 HD2 PHE 8 -7.091 5.715 2.647
47 HE1 PHE 8 HE1 PHE 8 -3.408 8.531 4.259
48 HE2 PHE 8 HE2 PHE 8 -6.880 6.202 5.041
49 HZ PHE 8 HZ PHE 8 -5.028 7.615 5.849
50 H CYS 9 HN CYS 9 -2.826 4.528 1.615
51 HA CYS 9 HA CYS 9 -4.468 2.181 2.248
52 HB2 CYS 9 HB2 CYS 9 -2.399 0.950 2.613
53 HB3 CYS 9 HB1 CYS 9 -2.486 1.577 0.972
54 H THR 10 HN THR 10 -4.802 1.730 4.335
55 HA THR 10 HA THR 10 -3.383 3.307 6.319
56 HB THR 10 HB THR 10 -5.210 2.402 7.855
57 HG1 THR 10 HG1 THR 10 -7.053 1.591 6.843
58 HG21 THR 10 HG21 THR 10 -5.249 4.686 7.036
59 HG22 THR 10 HG22 THR 10 -6.888 4.025 7.013
60 HG23 THR 10 HG23 THR 10 -5.966 4.149 5.521
61 H LEU 11 HN LEU 11 -4.076 0.097 5.151
62 HA LEU 11 HA LEU 11 -2.073 -1.016 6.962
63 HB2 LEU 11 HB2 LEU 11 -4.719 -2.274 6.217
64 HB3 LEU 11 HB1 LEU 11 -3.455 -3.051 7.141
65 HG LEU 11 HG LEU 11 -5.012 -0.627 8.051
66 HD11 LEU 11 HD11 LEU 11 -5.246 -3.521 8.835
67 HD12 LEU 11 HD12 LEU 11 -6.430 -2.588 7.919
68 HD13 LEU 11 HD13 LEU 11 -6.094 -2.181 9.602
69 HD21 LEU 11 HD21 LEU 11 -4.006 -1.104 10.238
70 HD22 LEU 11 HD22 LEU 11 -2.779 -0.730 9.031
71 HD23 LEU 11 HD23 LEU 11 -3.056 -2.404 9.518
72 H SER 12 HN SER 12 -0.677 -2.363 5.931
73 HA SER 12 HA SER 12 -0.422 -2.344 3.133
74 HB2 SER 12 HB2 SER 12 1.283 -4.141 3.641
75 HB3 SER 12 HB1 SER 12 1.515 -2.590 4.454
76 HG SER 12 HG SER 12 1.491 -3.683 6.200
77 H LYS 13 HN LYS 13 -1.925 -4.471 5.277
78 HA LYS 13 HA LYS 13 -1.966 -6.845 3.734
79 HB2 LYS 13 HB2 LYS 13 -3.805 -6.038 5.990
80 HB3 LYS 13 HB1 LYS 13 -3.646 -7.659 5.338
81 HG2 LYS 13 HG2 LYS 13 -2.240 -7.881 7.118
82 HG3 LYS 13 HG1 LYS 13 -1.138 -7.209 5.897
83 HD2 LYS 13 HD2 LYS 13 -1.410 -4.959 6.846
84 HD3 LYS 13 HD1 LYS 13 -2.546 -5.597 8.031
85 HE2 LYS 13 HE2 LYS 13 -0.380 -5.265 9.030
86 HE3 LYS 13 HE1 LYS 13 -0.730 -6.987 8.944
87 HZ1 LYS 13 HZ1 LYS 13 1.547 -6.426 8.315
88 HZ2 LYS 13 HZ2 LYS 13 1.013 -5.513 7.020
89 HZ3 LYS 13 HZ3 LYS 13 0.757 -7.184 7.047
90 H GLY 14 HN GLY 14 -3.821 -4.081 3.752
91 HA2 GLY 14 HA2 GLY 14 -6.112 -5.222 2.343
92 HA3 GLY 14 HA1 GLY 14 -5.906 -3.528 2.763
93 H CYS 15 HN CYS 15 -3.117 -3.862 1.474
94 HA CYS 15 HA CYS 15 -3.932 -2.814 -1.088
95 HB2 CYS 15 HB2 CYS 15 -1.213 -3.343 0.074
96 HB3 CYS 15 HB1 CYS 15 -1.517 -2.471 -1.425
97 H CYS 16 HN CYS 16 -3.419 -3.687 -3.113
98 HA CYS 16 HA CYS 16 -3.519 -6.479 -3.332
99 HB2 CYS 16 HB2 CYS 16 -2.726 -4.474 -5.447
100 HB3 CYS 16 HB1 CYS 16 -3.235 -6.137 -5.733
101 H THR 17 HN THR 17 -0.717 -4.300 -3.220
102 HA THR 17 HA THR 17 1.101 -6.444 -3.906
103 HB THR 17 HB THR 17 2.739 -4.601 -3.298
104 HG1 THR 17 HG1 THR 17 1.866 -2.557 -3.136
105 HG21 THR 17 HG21 THR 17 0.732 -4.200 -5.516
106 HG22 THR 17 HG22 THR 17 2.226 -5.144 -5.611
107 HG23 THR 17 HG23 THR 17 2.288 -3.389 -5.405
108 H LYS 18 HN LYS 18 -0.638 -5.704 -1.207
109 HA LYS 18 HA LYS 18 -0.427 -5.610 0.968
110 HB2 LYS 18 HB2 LYS 18 1.534 -7.789 0.315
111 HB3 LYS 18 HB1 LYS 18 1.080 -7.390 1.969
112 HG2 LYS 18 HG2 LYS 18 -1.256 -7.856 1.450
113 HG3 LYS 18 HG1 LYS 18 -0.812 -8.241 -0.214
114 HD2 LYS 18 HD2 LYS 18 0.512 -10.077 0.502
115 HD3 LYS 18 HD1 LYS 18 0.287 -9.622 2.198
116 HE2 LYS 18 HE2 LYS 18 -1.160 -11.511 1.621
117 HE3 LYS 18 HE1 LYS 18 -2.115 -10.082 1.989
118 HZ1 LYS 18 HZ1 LYS 18 -1.493 -11.053 -0.760
119 HZ2 LYS 18 HZ2 LYS 18 -2.449 -9.722 -0.367
120 HZ3 LYS 18 HZ3 LYS 18 -2.958 -11.237 0.040
121 H ASN 19 HN ASN 19 1.279 -3.754 -0.521
122 HA ASN 19 HA ASN 19 3.189 -3.160 1.634
123 HB2 ASN 19 HB2 ASN 19 4.428 -3.712 -0.393
124 HB3 ASN 19 HB1 ASN 19 3.459 -2.571 -1.319
125 HD21 ASN 19 HD21 ASN 19 5.207 -1.349 -1.933
126 HD22 ASN 19 HD22 ASN 19 6.084 -0.341 -0.842
127 H CYS 20 HN CYS 20 2.641 -1.467 2.729
128 HA CYS 20 HA CYS 20 1.171 0.700 1.412
129 HB2 CYS 20 HB2 CYS 20 -0.120 -0.392 3.227
130 HB3 CYS 20 HB1 CYS 20 1.222 -0.137 4.335
131 H GLY 21 HN GLY 21 2.350 2.539 1.278
132 HA2 GLY 21 HA2 GLY 21 4.989 2.454 2.535
133 HA3 GLY 21 HA1 GLY 21 4.481 3.489 1.204
134 H TRP 22 HN TRP 22 5.859 4.776 3.034
135 HA TRP 22 HA TRP 22 4.196 5.812 5.113
136 HB2 TRP 22 HB2 TRP 22 6.137 7.433 5.314
137 HB3 TRP 22 HB1 TRP 22 6.503 5.834 5.839
138 HD1 TRP 22 HD1 TRP 22 7.947 4.378 3.755
139 HE1 TRP 22 HE1 TRP 22 9.787 5.346 2.237
140 HE3 TRP 22 HE3 TRP 22 6.875 9.152 4.399
141 HZ2 TRP 22 HZ2 TRP 22 10.680 7.933 1.428
142 HZ3 TRP 22 HZ3 TRP 22 8.251 10.953 3.236
143 HH2 TRP 22 HH2 TRP 22 10.118 10.305 1.787
144 H ASN 23 HN ASN 23 4.361 6.282 1.921
145 HA ASN 23 HA ASN 23 3.613 9.094 1.919
146 HB2 ASN 23 HB2 ASN 23 3.418 8.839 -0.512
147 HB3 ASN 23 HB1 ASN 23 4.949 8.157 0.020
148 HD21 ASN 23 HD21 ASN 23 3.482 7.619 -2.412
149 HD22 ASN 23 HD22 ASN 23 3.141 5.929 -2.418
150 H PHE 24 HN PHE 24 2.237 6.282 2.771
151 HA PHE 24 HA PHE 24 0.216 5.545 3.244
152 HB2 PHE 24 HB2 PHE 24 -0.479 8.441 2.839
153 HB3 PHE 24 HB1 PHE 24 -1.721 7.252 3.201
154 HD1 PHE 24 HD1 PHE 24 1.517 8.579 4.468
155 HD2 PHE 24 HD2 PHE 24 -2.161 6.658 5.374
156 HE1 PHE 24 HE1 PHE 24 2.023 8.753 6.863
157 HE2 PHE 24 HE2 PHE 24 -1.663 6.831 7.776
158 HZ PHE 24 HZ PHE 24 0.429 7.876 8.520
159 H LYS 25 HN LYS 25 1.210 5.356 0.569
160 HA LYS 25 HA LYS 25 -1.364 4.792 -0.708
161 HB2 LYS 25 HB2 LYS 25 1.250 5.577 -1.964
162 HB3 LYS 25 HB1 LYS 25 -0.081 4.883 -2.875
163 HG2 LYS 25 HG2 LYS 25 -1.469 6.813 -2.275
164 HG3 LYS 25 HG1 LYS 25 -0.103 7.495 -1.381
165 HD2 LYS 25 HD2 LYS 25 1.211 7.626 -3.389
166 HD3 LYS 25 HD1 LYS 25 -0.042 6.800 -4.312
167 HE2 LYS 25 HE2 LYS 25 -0.332 9.480 -2.971
168 HE3 LYS 25 HE1 LYS 25 -0.034 9.227 -4.692
169 HZ1 LYS 25 HZ1 LYS 25 -2.362 9.591 -4.363
170 HZ2 LYS 25 HZ2 LYS 25 -2.453 8.428 -3.166
171 HZ3 LYS 25 HZ3 LYS 25 -2.156 7.961 -4.755
172 H CYS 26 HN CYS 26 -1.561 2.802 -1.635
173 HA CYS 26 HA CYS 26 0.138 0.715 -0.756
174 HB2 CYS 26 HB2 CYS 26 -1.945 0.876 -2.921
175 HB3 CYS 26 HB1 CYS 26 -1.190 -0.646 -2.439
176 H ASN 27 HN ASN 27 2.061 0.285 -1.565
177 HA ASN 27 HA ASN 27 2.754 1.532 -4.133
178 HB2 ASN 27 HB2 ASN 27 4.437 1.095 -1.667
179 HB3 ASN 27 HB1 ASN 27 5.105 1.599 -3.216
180 HD21 ASN 27 HD21 ASN 27 5.168 2.956 -0.701
181 HD22 ASN 27 HD22 ASN 27 4.325 4.451 -0.882
182 HA HYP 28 HA HYP 28 4.039 -2.412 -5.596
183 HB2 HYP 28 HB1 HYP 28 4.936 -1.859 -7.639
184 HB3 HYP 28 HB2 HYP 28 6.448 -1.357 -6.875
185 HG HYP 28 HG HYP 28 5.633 0.727 -7.649
186 HD22 HYP 28 HD11 HYP 28 4.273 1.566 -5.558
187 HD23 HYP 28 HD12 HYP 28 5.911 0.932 -5.265
188 HD1 HYP 28 HD2 HYP 28 3.349 -0.598 -7.674
189 HA HYP 29 HA HYP 29 7.004 -4.196 -2.817
190 HB2 HYP 29 HB1 HYP 29 6.899 -6.401 -3.355
191 HB3 HYP 29 HB2 HYP 29 7.843 -6.146 -4.828
192 HG HYP 29 HG HYP 29 5.686 -6.694 -5.685
193 HD22 HYP 29 HD11 HYP 29 4.728 -4.277 -6.087
194 HD23 HYP 29 HD12 HYP 29 6.420 -4.539 -6.590
195 HD1 HYP 29 HD2 HYP 29 4.680 -4.948 -3.799
196 H ASN 30 HN ASN 30 8.738 -2.994 -2.440
197 HA ASN 30 HA ASN 30 11.114 -3.367 -4.118
198 HB2 ASN 30 HB2 ASN 30 9.998 -0.687 -3.241
199 HB3 ASN 30 HB1 ASN 30 11.679 -0.898 -3.705
200 HD21 ASN 30 HD21 ASN 30 12.166 -1.280 -5.835
201 HD22 ASN 30 HD22 ASN 30 11.084 -0.991 -7.130
202 H GLN 31 HN GLN 31 9.896 -4.143 -1.494
203 HA GLN 31 HA GLN 31 11.826 -3.068 0.405
204 HB2 GLN 31 HB2 GLN 31 9.249 -4.600 0.810
205 HB3 GLN 31 HB1 GLN 31 10.334 -4.163 2.120
206 HG2 GLN 31 HG2 GLN 31 8.483 -2.640 2.071
207 HG3 GLN 31 HG1 GLN 31 9.931 -1.779 1.572
208 HE21 GLN 31 HE21 GLN 31 8.893 -0.231 0.483
209 HE22 GLN 31 HE22 GLN 31 8.052 -0.482 -0.997
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -12.798 -7.737 -1.726
2 H2 GLY 1 HT2 GLY 1 -12.099 -6.729 -0.548
3 H3 GLY 1 HT3 GLY 1 -11.303 -8.111 -1.053
4 HA2 GLY 1 HA1 GLY 1 -10.955 -7.213 -3.226
5 HA3 GLY 1 HA2 GLY 1 -11.851 -5.778 -2.742
6 H CYS 2 HN CYS 2 -9.129 -5.846 -3.649
7 HA CYS 2 HA CYS 2 -7.758 -5.102 -1.179
8 HB2 CYS 2 HB2 CYS 2 -5.653 -5.518 -2.405
9 HB3 CYS 2 HB1 CYS 2 -6.652 -6.960 -2.287
10 H ILE 3 HN ILE 3 -6.370 -3.265 -1.296
11 HA ILE 3 HA ILE 3 -7.509 -1.143 -2.858
12 HB ILE 3 HB ILE 3 -5.103 -1.086 -1.000
13 HG12 ILE 3 HG12 ILE 3 -7.976 -0.371 -0.435
14 HG13 ILE 3 HG11 ILE 3 -7.191 -1.847 0.114
15 HG21 ILE 3 HG21 ILE 3 -5.185 0.795 -2.544
16 HG22 ILE 3 HG22 ILE 3 -5.552 1.330 -0.901
17 HG23 ILE 3 HG23 ILE 3 -6.853 1.128 -2.075
18 HD11 ILE 3 HD11 ILE 3 -6.447 0.961 0.897
19 HD12 ILE 3 HD12 ILE 3 -5.624 -0.504 1.437
20 HD13 ILE 3 HD13 ILE 3 -7.303 -0.212 1.900
21 H ALA 4 HN ALA 4 -6.833 -0.614 -4.767
22 HA ALA 4 HA ALA 4 -4.711 -1.936 -6.092
23 HB1 ALA 4 HB1 ALA 4 -5.191 -0.425 -7.952
24 HB2 ALA 4 HB2 ALA 4 -6.199 0.561 -6.898
25 HB3 ALA 4 HB3 ALA 4 -6.683 -1.090 -7.286
26 H THR 5 HN THR 5 -2.714 -1.128 -6.729
27 HA THR 5 HA THR 5 -1.603 0.528 -4.787
28 HB THR 5 HB THR 5 0.473 0.335 -6.053
29 HG1 THR 5 HG1 THR 5 -0.507 0.008 -8.173
30 HG21 THR 5 HG21 THR 5 -1.036 -2.193 -5.451
31 HG22 THR 5 HG22 THR 5 -0.070 -1.226 -4.333
32 HG23 THR 5 HG23 THR 5 0.711 -2.087 -5.655
33 H GLY 6 HN GLY 6 -0.872 2.532 -4.804
34 HA2 GLY 6 HA2 GLY 6 -0.586 4.675 -5.833
35 HA3 GLY 6 HA1 GLY 6 -1.798 4.213 -7.025
36 H SER 7 HN SER 7 -3.437 2.995 -4.795
37 HA SER 7 HA SER 7 -4.815 5.457 -4.129
38 HB2 SER 7 HB2 SER 7 -5.629 2.594 -3.610
39 HB3 SER 7 HB1 SER 7 -6.664 4.021 -3.537
40 HG SER 7 HG SER 7 -5.322 3.690 -5.910
41 H PHE 8 HN PHE 8 -5.599 5.787 -1.902
42 HA PHE 8 HA PHE 8 -3.588 5.667 0.044
43 HB2 PHE 8 HB2 PHE 8 -5.232 7.424 0.031
44 HB3 PHE 8 HB1 PHE 8 -6.545 6.274 0.240
45 HD1 PHE 8 HD1 PHE 8 -3.650 7.875 1.877
46 HD2 PHE 8 HD2 PHE 8 -7.188 5.573 2.417
47 HE1 PHE 8 HE1 PHE 8 -3.524 8.246 4.301
48 HE2 PHE 8 HE2 PHE 8 -7.061 5.934 4.838
49 HZ PHE 8 HZ PHE 8 -5.229 7.269 5.786
50 H CYS 9 HN CYS 9 -3.153 4.280 1.612
51 HA CYS 9 HA CYS 9 -5.025 2.038 2.092
52 HB2 CYS 9 HB2 CYS 9 -3.241 0.596 2.450
53 HB3 CYS 9 HB1 CYS 9 -2.590 1.614 1.171
54 H THR 10 HN THR 10 -5.301 1.493 4.296
55 HA THR 10 HA THR 10 -4.288 3.470 6.159
56 HB THR 10 HB THR 10 -5.786 2.150 7.794
57 HG1 THR 10 HG1 THR 10 -7.499 1.056 6.666
58 HG21 THR 10 HG21 THR 10 -6.416 4.347 6.933
59 HG22 THR 10 HG22 THR 10 -7.831 3.296 7.009
60 HG23 THR 10 HG23 THR 10 -7.045 3.608 5.464
61 H LEU 11 HN LEU 11 -4.153 0.099 5.282
62 HA LEU 11 HA LEU 11 -1.771 -0.277 6.925
63 HB2 LEU 11 HB2 LEU 11 -4.035 -2.261 6.620
64 HB3 LEU 11 HB1 LEU 11 -2.535 -2.552 7.465
65 HG LEU 11 HG LEU 11 -4.697 -0.619 8.311
66 HD11 LEU 11 HD11 LEU 11 -3.841 -3.261 9.460
67 HD12 LEU 11 HD12 LEU 11 -5.327 -2.949 8.569
68 HD13 LEU 11 HD13 LEU 11 -5.060 -2.182 10.138
69 HD21 LEU 11 HD21 LEU 11 -3.407 -0.391 10.384
70 HD22 LEU 11 HD22 LEU 11 -2.494 0.182 8.992
71 HD23 LEU 11 HD23 LEU 11 -2.122 -1.387 9.702
72 H SER 12 HN SER 12 -0.320 -1.763 5.977
73 HA SER 12 HA SER 12 -0.021 -1.759 3.221
74 HB2 SER 12 HB2 SER 12 1.675 -3.547 3.710
75 HB3 SER 12 HB1 SER 12 1.867 -2.041 4.617
76 HG SER 12 HG SER 12 1.301 -3.034 6.423
77 H LYS 13 HN LYS 13 -1.565 -4.016 5.270
78 HA LYS 13 HA LYS 13 -1.568 -6.277 3.549
79 HB2 LYS 13 HB2 LYS 13 -3.292 -5.673 5.947
80 HB3 LYS 13 HB1 LYS 13 -3.283 -7.204 5.088
81 HG2 LYS 13 HG2 LYS 13 -1.877 -7.634 6.851
82 HG3 LYS 13 HG1 LYS 13 -0.795 -7.158 5.523
83 HD2 LYS 13 HD2 LYS 13 -0.627 -4.907 6.464
84 HD3 LYS 13 HD1 LYS 13 -1.681 -5.381 7.800
85 HE2 LYS 13 HE2 LYS 13 0.604 -5.434 8.554
86 HE3 LYS 13 HE1 LYS 13 0.033 -7.095 8.417
87 HZ1 LYS 13 HZ1 LYS 13 1.667 -5.690 6.371
88 HZ2 LYS 13 HZ2 LYS 13 1.219 -7.311 6.322
89 HZ3 LYS 13 HZ3 LYS 13 2.276 -6.767 7.505
90 H GLY 14 HN GLY 14 -3.523 -3.629 3.915
91 HA2 GLY 14 HA2 GLY 14 -5.897 -4.579 2.609
92 HA3 GLY 14 HA1 GLY 14 -5.480 -2.885 2.822
93 H CYS 15 HN CYS 15 -2.889 -3.391 1.460
94 HA CYS 15 HA CYS 15 -3.708 -2.592 -1.146
95 HB2 CYS 15 HB2 CYS 15 -1.001 -3.323 -0.073
96 HB3 CYS 15 HB1 CYS 15 -1.323 -2.446 -1.569
97 H CYS 16 HN CYS 16 -3.457 -3.659 -3.101
98 HA CYS 16 HA CYS 16 -3.758 -6.441 -3.156
99 HB2 CYS 16 HB2 CYS 16 -2.831 -4.645 -5.411
100 HB3 CYS 16 HB1 CYS 16 -3.452 -6.280 -5.593
101 H THR 17 HN THR 17 -0.788 -4.439 -3.499
102 HA THR 17 HA THR 17 0.867 -6.693 -4.063
103 HB THR 17 HB THR 17 2.654 -4.973 -3.572
104 HG1 THR 17 HG1 THR 17 1.974 -2.877 -3.199
105 HG21 THR 17 HG21 THR 17 0.531 -4.308 -5.612
106 HG22 THR 17 HG22 THR 17 1.875 -5.430 -5.852
107 HG23 THR 17 HG23 THR 17 2.183 -3.702 -5.622
108 H LYS 18 HN LYS 18 -0.666 -5.664 -1.312
109 HA LYS 18 HA LYS 18 -0.466 -5.900 0.907
110 HB2 LYS 18 HB2 LYS 18 1.587 -7.987 0.134
111 HB3 LYS 18 HB1 LYS 18 0.984 -7.743 1.765
112 HG2 LYS 18 HG2 LYS 18 -0.721 -8.510 -0.596
113 HG3 LYS 18 HG1 LYS 18 -0.081 -9.632 0.607
114 HD2 LYS 18 HD2 LYS 18 -1.304 -8.434 2.361
115 HD3 LYS 18 HD1 LYS 18 -1.960 -7.336 1.148
116 HE2 LYS 18 HE2 LYS 18 -3.026 -9.241 0.020
117 HE3 LYS 18 HE1 LYS 18 -2.400 -10.312 1.271
118 HZ1 LYS 18 HZ1 LYS 18 -4.192 -8.016 1.832
119 HZ2 LYS 18 HZ2 LYS 18 -3.743 -9.225 2.907
120 HZ3 LYS 18 HZ3 LYS 18 -4.745 -9.585 1.603
121 H ASN 19 HN ASN 19 1.377 -4.113 -0.661
122 HA ASN 19 HA ASN 19 3.229 -3.504 1.535
123 HB2 ASN 19 HB2 ASN 19 4.490 -4.469 -0.364
124 HB3 ASN 19 HB1 ASN 19 3.793 -3.258 -1.434
125 HD21 ASN 19 HD21 ASN 19 5.719 -2.261 -2.005
126 HD22 ASN 19 HD22 ASN 19 6.694 -1.416 -0.874
127 H CYS 20 HN CYS 20 3.042 -1.468 2.218
128 HA CYS 20 HA CYS 20 2.045 0.565 0.399
129 HB2 CYS 20 HB2 CYS 20 0.112 -0.294 1.826
130 HB3 CYS 20 HB1 CYS 20 1.032 0.217 3.229
131 H GLY 21 HN GLY 21 2.910 2.632 0.954
132 HA2 GLY 21 HA2 GLY 21 5.260 2.343 2.680
133 HA3 GLY 21 HA1 GLY 21 5.021 3.584 1.454
134 H TRP 22 HN TRP 22 5.869 4.735 3.537
135 HA TRP 22 HA TRP 22 3.915 5.312 5.509
136 HB2 TRP 22 HB2 TRP 22 5.507 7.117 6.099
137 HB3 TRP 22 HB1 TRP 22 6.220 5.557 6.282
138 HD1 TRP 22 HD1 TRP 22 7.879 4.922 3.943
139 HE1 TRP 22 HE1 TRP 22 9.465 6.556 2.739
140 HE3 TRP 22 HE3 TRP 22 5.911 9.117 5.657
141 HZ2 TRP 22 HZ2 TRP 22 9.813 9.387 2.578
142 HZ3 TRP 22 HZ3 TRP 22 6.882 11.366 4.983
143 HH2 TRP 22 HH2 TRP 22 8.808 11.451 3.469
144 H ASN 23 HN ASN 23 4.272 6.179 2.377
145 HA ASN 23 HA ASN 23 3.213 8.841 2.449
146 HB2 ASN 23 HB2 ASN 23 3.014 8.577 0.011
147 HB3 ASN 23 HB1 ASN 23 4.603 8.054 0.546
148 HD21 ASN 23 HD21 ASN 23 3.251 7.365 -1.894
149 HD22 ASN 23 HD22 ASN 23 3.061 5.651 -1.912
150 H PHE 24 HN PHE 24 2.019 5.758 2.966
151 HA PHE 24 HA PHE 24 0.043 4.841 3.294
152 HB2 PHE 24 HB2 PHE 24 -0.722 7.718 3.525
153 HB3 PHE 24 HB1 PHE 24 -1.981 6.484 3.535
154 HD1 PHE 24 HD1 PHE 24 1.208 7.421 5.200
155 HD2 PHE 24 HD2 PHE 24 -2.501 5.375 5.475
156 HE1 PHE 24 HE1 PHE 24 1.638 6.977 7.573
157 HE2 PHE 24 HE2 PHE 24 -2.086 4.930 7.860
158 HZ PHE 24 HZ PHE 24 0.001 5.733 8.909
159 H LYS 25 HN LYS 25 1.019 5.165 0.706
160 HA LYS 25 HA LYS 25 -1.488 4.679 -0.709
161 HB2 LYS 25 HB2 LYS 25 1.082 5.850 -1.670
162 HB3 LYS 25 HB1 LYS 25 -0.157 5.280 -2.786
163 HG2 LYS 25 HG2 LYS 25 -1.668 7.014 -1.975
164 HG3 LYS 25 HG1 LYS 25 -0.474 7.517 -0.770
165 HD2 LYS 25 HD2 LYS 25 1.087 8.102 -2.561
166 HD3 LYS 25 HD1 LYS 25 -0.095 7.580 -3.757
167 HE2 LYS 25 HE2 LYS 25 -0.583 9.798 -1.777
168 HE3 LYS 25 HE1 LYS 25 0.054 10.072 -3.394
169 HZ1 LYS 25 HZ1 LYS 25 -1.991 9.144 -4.310
170 HZ2 LYS 25 HZ2 LYS 25 -2.335 10.425 -3.289
171 HZ3 LYS 25 HZ3 LYS 25 -2.596 8.859 -2.761
172 H CYS 26 HN CYS 26 -1.520 2.784 -1.765
173 HA CYS 26 HA CYS 26 0.229 0.764 -0.913
174 HB2 CYS 26 HB2 CYS 26 -1.870 0.912 -3.032
175 HB3 CYS 26 HB1 CYS 26 -1.071 -0.610 -2.579
176 H ASN 27 HN ASN 27 2.074 0.031 -1.757
177 HA ASN 27 HA ASN 27 2.999 1.294 -4.253
178 HB2 ASN 27 HB2 ASN 27 4.548 0.759 -1.699
179 HB3 ASN 27 HB1 ASN 27 5.307 1.210 -3.214
180 HD21 ASN 27 HD21 ASN 27 5.440 2.561 -0.685
181 HD22 ASN 27 HD22 ASN 27 4.778 4.140 -0.915
182 HA HYP 28 HA HYP 28 4.124 -2.892 -5.408
183 HB2 HYP 28 HB1 HYP 28 4.907 -2.500 -7.526
184 HB3 HYP 28 HB2 HYP 28 6.481 -2.083 -6.847
185 HG HYP 28 HG HYP 28 5.985 0.009 -7.664
186 HD22 HYP 28 HD11 HYP 28 4.199 1.054 -5.919
187 HD23 HYP 28 HD12 HYP 28 5.834 0.611 -5.377
188 HD1 HYP 28 HD2 HYP 28 3.389 -0.941 -7.580
189 HA HYP 29 HA HYP 29 7.252 -3.881 -2.363
190 HB2 HYP 29 HB1 HYP 29 7.204 -6.169 -2.340
191 HB3 HYP 29 HB2 HYP 29 8.064 -6.237 -3.885
192 HG HYP 29 HG HYP 29 5.960 -7.057 -4.507
193 HD22 HYP 29 HD11 HYP 29 4.742 -4.838 -5.284
194 HD23 HYP 29 HD12 HYP 29 6.388 -5.124 -5.913
195 HD1 HYP 29 HD2 HYP 29 4.604 -5.087 -3.183
196 H ASN 30 HN ASN 30 9.034 -2.657 -2.365
197 HA ASN 30 HA ASN 30 10.836 -2.743 -4.669
198 HB2 ASN 30 HB2 ASN 30 10.368 -0.668 -2.549
199 HB3 ASN 30 HB1 ASN 30 11.865 -0.687 -3.463
200 HD21 ASN 30 HD21 ASN 30 8.450 -0.072 -3.554
201 HD22 ASN 30 HD22 ASN 30 8.450 0.685 -5.099
202 H GLN 31 HN GLN 31 10.800 -4.806 -2.549
203 HA GLN 31 HA GLN 31 13.403 -4.314 -1.353
204 HB2 GLN 31 HB2 GLN 31 11.514 -6.635 -0.853
205 HB3 GLN 31 HB1 GLN 31 13.059 -6.406 -0.072
206 HG2 GLN 31 HG2 GLN 31 11.509 -5.700 1.521
207 HG3 GLN 31 HG1 GLN 31 12.109 -4.206 0.814
208 HE21 GLN 31 HE21 GLN 31 9.791 -6.328 -0.735
209 HE22 GLN 31 HE22 GLN 31 8.440 -5.259 -0.566
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 -12.206 -5.388 -2.664
2 H2 GLY 1 HT2 GLY 1 -12.237 -6.537 -1.458
3 H3 GLY 1 HT3 GLY 1 -13.072 -6.829 -2.922
4 HA2 GLY 1 HA1 GLY 1 -11.021 -8.069 -2.780
5 HA3 GLY 1 HA2 GLY 1 -10.925 -6.848 -4.051
6 H CYS 2 HN CYS 2 -8.855 -6.163 -4.008
7 HA CYS 2 HA CYS 2 -7.808 -5.393 -1.389
8 HB2 CYS 2 HB2 CYS 2 -5.551 -5.666 -2.425
9 HB3 CYS 2 HB1 CYS 2 -6.471 -7.165 -2.328
10 H ILE 3 HN ILE 3 -6.428 -3.492 -1.408
11 HA ILE 3 HA ILE 3 -7.617 -1.412 -2.960
12 HB ILE 3 HB ILE 3 -5.392 -1.349 -0.892
13 HG12 ILE 3 HG12 ILE 3 -8.318 -0.608 -0.674
14 HG13 ILE 3 HG11 ILE 3 -7.588 -2.072 -0.026
15 HG21 ILE 3 HG21 ILE 3 -5.773 1.069 -0.808
16 HG22 ILE 3 HG22 ILE 3 -6.933 0.931 -2.131
17 HG23 ILE 3 HG23 ILE 3 -5.229 0.547 -2.404
18 HD11 ILE 3 HD11 ILE 3 -6.935 0.742 0.808
19 HD12 ILE 3 HD12 ILE 3 -6.220 -0.734 1.460
20 HD13 ILE 3 HD13 ILE 3 -7.937 -0.403 1.702
21 H ALA 4 HN ALA 4 -6.930 -0.713 -4.799
22 HA ALA 4 HA ALA 4 -4.804 -1.899 -6.207
23 HB1 ALA 4 HB1 ALA 4 -6.310 0.644 -6.807
24 HB2 ALA 4 HB2 ALA 4 -6.779 -0.981 -7.313
25 HB3 ALA 4 HB3 ALA 4 -5.299 -0.255 -7.936
26 H THR 5 HN THR 5 -2.822 -1.031 -6.846
27 HA THR 5 HA THR 5 -1.567 0.389 -4.821
28 HB THR 5 HB THR 5 0.416 0.402 -6.182
29 HG1 THR 5 HG1 THR 5 -1.408 0.039 -8.188
30 HG21 THR 5 HG21 THR 5 -1.097 -2.195 -6.168
31 HG22 THR 5 HG22 THR 5 -0.088 -1.540 -4.878
32 HG23 THR 5 HG23 THR 5 0.643 -2.046 -6.401
33 H GLY 6 HN GLY 6 -0.882 2.426 -4.614
34 HA2 GLY 6 HA2 GLY 6 -0.568 4.661 -5.376
35 HA3 GLY 6 HA1 GLY 6 -1.764 4.363 -6.636
36 H SER 7 HN SER 7 -3.581 3.035 -4.743
37 HA SER 7 HA SER 7 -5.050 5.329 -3.977
38 HB2 SER 7 HB2 SER 7 -5.502 2.491 -3.086
39 HB3 SER 7 HB1 SER 7 -6.702 3.769 -3.269
40 HG SER 7 HG SER 7 -5.590 2.093 -5.092
41 H PHE 8 HN PHE 8 -5.864 5.637 -1.751
42 HA PHE 8 HA PHE 8 -3.747 6.082 0.055
43 HB2 PHE 8 HB2 PHE 8 -5.766 7.510 -0.147
44 HB3 PHE 8 HB1 PHE 8 -6.730 6.195 0.500
45 HD1 PHE 8 HD1 PHE 8 -4.147 8.683 1.279
46 HD2 PHE 8 HD2 PHE 8 -6.828 5.784 2.847
47 HE1 PHE 8 HE1 PHE 8 -3.757 9.549 3.537
48 HE2 PHE 8 HE2 PHE 8 -6.438 6.648 5.114
49 HZ PHE 8 HZ PHE 8 -4.908 8.528 5.462
50 H CYS 9 HN CYS 9 -2.860 4.690 1.391
51 HA CYS 9 HA CYS 9 -4.556 2.517 2.394
52 HB2 CYS 9 HB2 CYS 9 -2.619 1.076 2.446
53 HB3 CYS 9 HB1 CYS 9 -2.850 1.715 0.823
54 H THR 10 HN THR 10 -4.405 1.988 4.502
55 HA THR 10 HA THR 10 -2.519 3.456 6.188
56 HB THR 10 HB THR 10 -4.369 3.143 7.974
57 HG1 THR 10 HG1 THR 10 -6.410 3.423 6.440
58 HG21 THR 10 HG21 THR 10 -4.804 5.066 5.680
59 HG22 THR 10 HG22 THR 10 -3.743 5.338 7.061
60 HG23 THR 10 HG23 THR 10 -5.488 5.231 7.296
61 H LEU 11 HN LEU 11 -3.533 0.514 5.016
62 HA LEU 11 HA LEU 11 -2.171 -1.007 7.103
63 HB2 LEU 11 HB2 LEU 11 -4.834 -1.719 5.847
64 HB3 LEU 11 HB1 LEU 11 -3.917 -2.761 6.909
65 HG LEU 11 HG LEU 11 -5.114 -0.110 7.738
66 HD11 LEU 11 HD11 LEU 11 -6.855 -1.725 7.211
67 HD12 LEU 11 HD12 LEU 11 -6.757 -1.450 8.950
68 HD13 LEU 11 HD13 LEU 11 -6.076 -2.918 8.249
69 HD21 LEU 11 HD21 LEU 11 -3.159 -0.742 9.055
70 HD22 LEU 11 HD22 LEU 11 -3.864 -2.332 9.352
71 HD23 LEU 11 HD23 LEU 11 -4.635 -0.890 10.011
72 H SER 12 HN SER 12 -0.771 -2.391 6.204
73 HA SER 12 HA SER 12 -0.164 -2.241 3.464
74 HB2 SER 12 HB2 SER 12 1.480 -4.059 4.031
75 HB3 SER 12 HB1 SER 12 1.595 -2.601 5.020
76 HG SER 12 HG SER 12 0.677 -3.640 6.701
77 H LYS 13 HN LYS 13 -1.714 -4.768 5.360
78 HA LYS 13 HA LYS 13 -1.812 -6.509 3.156
79 HB2 LYS 13 HB2 LYS 13 -3.415 -7.878 4.599
80 HB3 LYS 13 HB1 LYS 13 -1.751 -7.702 5.109
81 HG2 LYS 13 HG2 LYS 13 -3.121 -7.548 7.033
82 HG3 LYS 13 HG1 LYS 13 -2.521 -5.933 6.692
83 HD2 LYS 13 HD2 LYS 13 -4.674 -5.344 5.705
84 HD3 LYS 13 HD1 LYS 13 -5.265 -6.984 6.008
85 HE2 LYS 13 HE2 LYS 13 -4.866 -6.659 8.417
86 HE3 LYS 13 HE1 LYS 13 -4.344 -5.010 8.087
87 HZ1 LYS 13 HZ1 LYS 13 -7.045 -6.106 7.571
88 HZ2 LYS 13 HZ2 LYS 13 -6.571 -4.531 7.252
89 HZ3 LYS 13 HZ3 LYS 13 -6.611 -5.105 8.852
90 H GLY 14 HN GLY 14 -3.608 -3.838 3.634
91 HA2 GLY 14 HA2 GLY 14 -6.031 -4.820 2.411
92 HA3 GLY 14 HA1 GLY 14 -5.621 -3.135 2.729
93 H CYS 15 HN CYS 15 -2.994 -3.535 1.427
94 HA CYS 15 HA CYS 15 -3.775 -2.660 -1.183
95 HB2 CYS 15 HB2 CYS 15 -1.090 -3.243 0.015
96 HB3 CYS 15 HB1 CYS 15 -1.355 -2.423 -1.523
97 H CYS 16 HN CYS 16 -3.462 -3.675 -3.115
98 HA CYS 16 HA CYS 16 -3.595 -6.452 -3.260
99 HB2 CYS 16 HB2 CYS 16 -2.770 -4.488 -5.391
100 HB3 CYS 16 HB1 CYS 16 -3.193 -6.173 -5.684
101 H THR 17 HN THR 17 -0.704 -4.324 -3.491
102 HA THR 17 HA THR 17 1.040 -6.471 -4.110
103 HB THR 17 HB THR 17 2.706 -4.653 -3.387
104 HG1 THR 17 HG1 THR 17 1.836 -2.634 -3.197
105 HG21 THR 17 HG21 THR 17 0.765 -4.189 -5.655
106 HG22 THR 17 HG22 THR 17 2.246 -5.158 -5.736
107 HG23 THR 17 HG23 THR 17 2.333 -3.410 -5.481
108 H LYS 18 HN LYS 18 -0.612 -5.685 -1.349
109 HA LYS 18 HA LYS 18 -0.486 -6.038 0.852
110 HB2 LYS 18 HB2 LYS 18 1.804 -7.910 0.160
111 HB3 LYS 18 HB1 LYS 18 0.957 -7.881 1.694
112 HG2 LYS 18 HG2 LYS 18 -0.266 -8.602 -0.979
113 HG3 LYS 18 HG1 LYS 18 0.233 -9.751 0.257
114 HD2 LYS 18 HD2 LYS 18 -1.895 -7.632 0.636
115 HD3 LYS 18 HD1 LYS 18 -2.217 -9.306 0.207
116 HE2 LYS 18 HE2 LYS 18 -0.789 -8.425 2.717
117 HE3 LYS 18 HE1 LYS 18 -2.499 -8.813 2.625
118 HZ1 LYS 18 HZ1 LYS 18 -0.282 -10.713 2.036
119 HZ2 LYS 18 HZ2 LYS 18 -1.923 -11.069 1.993
120 HZ3 LYS 18 HZ3 LYS 18 -1.193 -10.672 3.444
121 H ASN 19 HN ASN 19 1.360 -4.095 -0.610
122 HA ASN 19 HA ASN 19 3.110 -3.497 1.671
123 HB2 ASN 19 HB2 ASN 19 4.406 -4.298 -0.303
124 HB3 ASN 19 HB1 ASN 19 3.725 -2.988 -1.257
125 HD21 ASN 19 HD21 ASN 19 5.773 -2.118 -1.684
126 HD22 ASN 19 HD22 ASN 19 6.711 -1.325 -0.500
127 H CYS 20 HN CYS 20 2.545 -1.682 2.610
128 HA CYS 20 HA CYS 20 1.318 0.477 1.046
129 HB2 CYS 20 HB2 CYS 20 -0.331 -0.395 2.575
130 HB3 CYS 20 HB1 CYS 20 0.828 -0.414 3.901
131 H GLY 21 HN GLY 21 2.244 2.490 1.351
132 HA2 GLY 21 HA2 GLY 21 4.708 2.398 2.938
133 HA3 GLY 21 HA1 GLY 21 4.422 3.442 1.555
134 H TRP 22 HN TRP 22 5.426 4.479 3.809
135 HA TRP 22 HA TRP 22 3.488 5.641 5.482
136 HB2 TRP 22 HB2 TRP 22 5.409 7.188 6.050
137 HB3 TRP 22 HB1 TRP 22 5.689 5.479 6.344
138 HD1 TRP 22 HD1 TRP 22 6.202 7.449 3.016
139 HE1 TRP 22 HE1 TRP 22 8.660 7.168 2.302
140 HE3 TRP 22 HE3 TRP 22 7.918 4.817 7.032
141 HZ2 TRP 22 HZ2 TRP 22 11.004 5.996 3.304
142 HZ3 TRP 22 HZ3 TRP 22 10.292 4.153 7.080
143 HH2 TRP 22 HH2 TRP 22 11.795 4.737 5.253
144 H ASN 23 HN ASN 23 4.090 6.059 2.336
145 HA ASN 23 HA ASN 23 3.586 8.897 2.086
146 HB2 ASN 23 HB2 ASN 23 3.763 8.466 -0.326
147 HB3 ASN 23 HB1 ASN 23 5.135 7.769 0.523
148 HD21 ASN 23 HD21 ASN 23 4.150 7.067 -2.061
149 HD22 ASN 23 HD22 ASN 23 3.711 5.387 -1.993
150 H PHE 24 HN PHE 24 1.838 6.240 2.799
151 HA PHE 24 HA PHE 24 -0.325 5.780 3.019
152 HB2 PHE 24 HB2 PHE 24 -0.696 8.618 2.076
153 HB3 PHE 24 HB1 PHE 24 -2.036 7.583 2.551
154 HD1 PHE 24 HD1 PHE 24 0.718 9.636 3.678
155 HD2 PHE 24 HD2 PHE 24 -2.239 6.835 4.877
156 HE1 PHE 24 HE1 PHE 24 1.045 10.298 6.021
157 HE2 PHE 24 HE2 PHE 24 -1.922 7.491 7.219
158 HZ PHE 24 HZ PHE 24 -0.272 9.230 7.792
159 H LYS 25 HN LYS 25 1.158 5.330 0.531
160 HA LYS 25 HA LYS 25 -1.205 4.798 -1.093
161 HB2 LYS 25 HB2 LYS 25 1.498 5.689 -1.931
162 HB3 LYS 25 HB1 LYS 25 0.346 4.988 -3.072
163 HG2 LYS 25 HG2 LYS 25 -1.216 6.792 -2.506
164 HG3 LYS 25 HG1 LYS 25 0.014 7.502 -1.453
165 HD2 LYS 25 HD2 LYS 25 1.464 7.846 -3.315
166 HD3 LYS 25 HD1 LYS 25 0.361 6.979 -4.392
167 HE2 LYS 25 HE2 LYS 25 -0.228 9.554 -2.939
168 HE3 LYS 25 HE1 LYS 25 0.125 9.392 -4.660
169 HZ1 LYS 25 HZ1 LYS 25 -1.882 8.030 -4.880
170 HZ2 LYS 25 HZ2 LYS 25 -2.250 9.562 -4.278
171 HZ3 LYS 25 HZ3 LYS 25 -2.219 8.243 -3.243
172 H CYS 26 HN CYS 26 -1.382 2.816 -1.817
173 HA CYS 26 HA CYS 26 0.267 0.737 -0.893
174 HB2 CYS 26 HB2 CYS 26 -1.742 0.943 -3.097
175 HB3 CYS 26 HB1 CYS 26 -1.025 -0.619 -2.636
176 H ASN 27 HN ASN 27 2.202 0.207 -1.584
177 HA ASN 27 HA ASN 27 3.206 1.500 -4.012
178 HB2 ASN 27 HB2 ASN 27 4.585 0.591 -1.487
179 HB3 ASN 27 HB1 ASN 27 5.461 1.038 -2.942
180 HD21 ASN 27 HD21 ASN 27 5.439 2.203 -0.246
181 HD22 ASN 27 HD22 ASN 27 5.019 3.861 -0.449
182 HA HYP 28 HA HYP 28 4.196 -2.490 -5.819
183 HB2 HYP 28 HB1 HYP 28 5.714 -2.044 -7.547
184 HB3 HYP 28 HB2 HYP 28 6.848 -1.231 -6.461
185 HG HYP 28 HG HYP 28 5.800 0.537 -7.714
186 HD22 HYP 28 HD11 HYP 28 4.073 1.270 -5.824
187 HD23 HYP 28 HD12 HYP 28 5.781 1.074 -5.362
188 HD1 HYP 28 HD2 HYP 28 3.626 0.646 -7.921
189 HA HYP 29 HA HYP 29 6.754 -4.452 -2.842
190 HB2 HYP 29 HB1 HYP 29 5.989 -6.462 -3.479
191 HB3 HYP 29 HB2 HYP 29 7.528 -6.705 -4.314
192 HG HYP 29 HG HYP 29 6.252 -6.736 -6.248
193 HD22 HYP 29 HD11 HYP 29 5.370 -4.221 -6.660
194 HD23 HYP 29 HD12 HYP 29 7.121 -4.547 -6.611
195 HD1 HYP 29 HD2 HYP 29 4.190 -5.663 -6.201
196 H ASN 30 HN ASN 30 8.266 -2.630 -4.619
197 HA ASN 30 HA ASN 30 10.878 -3.921 -4.985
198 HB2 ASN 30 HB2 ASN 30 10.262 -0.979 -5.428
199 HB3 ASN 30 HB1 ASN 30 11.648 -1.876 -5.997
200 HD21 ASN 30 HD21 ASN 30 9.707 -0.288 -7.424
201 HD22 ASN 30 HD22 ASN 30 9.034 -1.296 -8.638
202 H GLN 31 HN GLN 31 9.304 -1.480 -3.058
203 HA GLN 31 HA GLN 31 11.400 -1.657 -1.062
204 HB2 GLN 31 HB2 GLN 31 10.222 0.874 -2.208
205 HB3 GLN 31 HB1 GLN 31 11.115 0.829 -0.699
206 HG2 GLN 31 HG2 GLN 31 13.105 0.085 -1.912
207 HG3 GLN 31 HG1 GLN 31 12.191 0.102 -3.417
208 HE21 GLN 31 HE21 GLN 31 10.740 2.522 -2.666
209 HE22 GLN 31 HE22 GLN 31 11.844 3.824 -2.874
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 -12.636 -6.041 -1.218
2 H2 GLY 1 HT2 GLY 1 -11.897 -7.531 -0.944
3 H3 GLY 1 HT3 GLY 1 -13.154 -7.413 -2.068
4 HA2 GLY 1 HA1 GLY 1 -11.028 -7.552 -3.149
5 HA3 GLY 1 HA2 GLY 1 -11.796 -5.992 -3.449
6 H CYS 2 HN CYS 2 -9.003 -6.493 -3.653
7 HA CYS 2 HA CYS 2 -7.845 -5.440 -1.227
8 HB2 CYS 2 HB2 CYS 2 -5.681 -5.725 -2.411
9 HB3 CYS 2 HB1 CYS 2 -6.611 -7.214 -2.344
10 H ILE 3 HN ILE 3 -6.383 -3.606 -1.349
11 HA ILE 3 HA ILE 3 -7.615 -1.437 -2.788
12 HB ILE 3 HB ILE 3 -5.310 -1.452 -0.807
13 HG12 ILE 3 HG12 ILE 3 -8.226 -0.767 -0.400
14 HG13 ILE 3 HG11 ILE 3 -7.454 -2.253 0.133
15 HG21 ILE 3 HG21 ILE 3 -6.959 0.836 -1.886
16 HG22 ILE 3 HG22 ILE 3 -5.265 0.500 -2.255
17 HG23 ILE 3 HG23 ILE 3 -5.737 0.958 -0.617
18 HD11 ILE 3 HD11 ILE 3 -6.794 0.523 1.081
19 HD12 ILE 3 HD12 ILE 3 -6.019 -0.965 1.626
20 HD13 ILE 3 HD13 ILE 3 -7.727 -0.684 1.965
21 H ALA 4 HN ALA 4 -6.922 -0.806 -4.679
22 HA ALA 4 HA ALA 4 -4.824 -2.032 -6.074
23 HB1 ALA 4 HB1 ALA 4 -6.263 0.545 -6.683
24 HB2 ALA 4 HB2 ALA 4 -6.802 -1.063 -7.154
25 HB3 ALA 4 HB3 ALA 4 -5.306 -0.405 -7.820
26 H THR 5 HN THR 5 -2.863 -1.102 -6.833
27 HA THR 5 HA THR 5 -1.667 0.422 -4.811
28 HB THR 5 HB THR 5 0.336 0.329 -6.216
29 HG1 THR 5 HG1 THR 5 -0.108 -0.135 -8.245
30 HG21 THR 5 HG21 THR 5 -0.060 -1.277 -4.493
31 HG22 THR 5 HG22 THR 5 0.645 -2.096 -5.887
32 HG23 THR 5 HG23 THR 5 -1.086 -2.232 -5.560
33 H GLY 6 HN GLY 6 -0.971 2.454 -4.805
34 HA2 GLY 6 HA2 GLY 6 -0.695 4.605 -5.834
35 HA3 GLY 6 HA1 GLY 6 -1.962 4.161 -6.976
36 H SER 7 HN SER 7 -3.560 2.924 -4.787
37 HA SER 7 HA SER 7 -5.066 5.234 -4.112
38 HB2 SER 7 HB2 SER 7 -5.354 2.405 -3.111
39 HB3 SER 7 HB1 SER 7 -6.593 3.660 -3.114
40 HG SER 7 HG SER 7 -6.588 2.018 -4.830
41 H PHE 8 HN PHE 8 -5.726 5.705 -1.917
42 HA PHE 8 HA PHE 8 -3.614 6.090 -0.089
43 HB2 PHE 8 HB2 PHE 8 -5.493 7.642 -0.240
44 HB3 PHE 8 HB1 PHE 8 -6.621 6.368 0.189
45 HD1 PHE 8 HD1 PHE 8 -6.939 5.719 2.486
46 HD2 PHE 8 HD2 PHE 8 -4.030 8.648 1.455
47 HE1 PHE 8 HE1 PHE 8 -6.746 6.355 4.848
48 HE2 PHE 8 HE2 PHE 8 -3.830 9.283 3.815
49 HZ PHE 8 HZ PHE 8 -5.191 8.133 5.520
50 H CYS 9 HN CYS 9 -2.841 4.700 1.394
51 HA CYS 9 HA CYS 9 -4.666 2.654 2.415
52 HB2 CYS 9 HB2 CYS 9 -2.864 1.024 2.427
53 HB3 CYS 9 HB1 CYS 9 -3.200 1.591 0.794
54 H THR 10 HN THR 10 -4.496 2.196 4.514
55 HA THR 10 HA THR 10 -2.450 3.568 6.039
56 HB THR 10 HB THR 10 -4.138 3.016 7.930
57 HG1 THR 10 HG1 THR 10 -5.914 2.093 7.264
58 HG21 THR 10 HG21 THR 10 -4.786 5.062 5.795
59 HG22 THR 10 HG22 THR 10 -3.689 5.296 7.158
60 HG23 THR 10 HG23 THR 10 -5.417 5.081 7.440
61 H LEU 11 HN LEU 11 -3.826 0.504 5.115
62 HA LEU 11 HA LEU 11 -2.000 -0.889 6.947
63 HB2 LEU 11 HB2 LEU 11 -4.687 -1.837 5.953
64 HB3 LEU 11 HB1 LEU 11 -3.609 -2.723 7.007
65 HG LEU 11 HG LEU 11 -5.077 -0.178 7.700
66 HD11 LEU 11 HD11 LEU 11 -6.546 -2.093 7.565
67 HD12 LEU 11 HD12 LEU 11 -6.305 -1.631 9.252
68 HD13 LEU 11 HD13 LEU 11 -5.455 -3.023 8.589
69 HD21 LEU 11 HD21 LEU 11 -2.930 -0.275 8.846
70 HD22 LEU 11 HD22 LEU 11 -3.274 -1.920 9.382
71 HD23 LEU 11 HD23 LEU 11 -4.246 -0.575 9.981
72 H SER 12 HN SER 12 -0.571 -2.215 5.950
73 HA SER 12 HA SER 12 -0.258 -2.266 3.166
74 HB2 SER 12 HB2 SER 12 1.429 -4.017 3.706
75 HB3 SER 12 HB1 SER 12 1.611 -2.530 4.641
76 HG SER 12 HG SER 12 1.236 -5.013 5.473
77 H LYS 13 HN LYS 13 -1.800 -4.352 5.375
78 HA LYS 13 HA LYS 13 -2.106 -6.762 4.027
79 HB2 LYS 13 HB2 LYS 13 -4.038 -5.388 5.894
80 HB3 LYS 13 HB1 LYS 13 -4.226 -7.034 5.336
81 HG2 LYS 13 HG2 LYS 13 -3.372 -7.108 7.518
82 HG3 LYS 13 HG1 LYS 13 -2.060 -7.559 6.418
83 HD2 LYS 13 HD2 LYS 13 -1.051 -5.371 6.693
84 HD3 LYS 13 HD1 LYS 13 -2.412 -4.831 7.688
85 HE2 LYS 13 HE2 LYS 13 -1.829 -6.520 9.365
86 HE3 LYS 13 HE1 LYS 13 -0.496 -7.070 8.359
87 HZ1 LYS 13 HZ1 LYS 13 0.545 -4.889 8.622
88 HZ2 LYS 13 HZ2 LYS 13 0.247 -5.576 10.128
89 HZ3 LYS 13 HZ3 LYS 13 -0.760 -4.362 9.547
90 H GLY 14 HN GLY 14 -3.911 -3.850 3.861
91 HA2 GLY 14 HA2 GLY 14 -6.081 -4.827 2.316
92 HA3 GLY 14 HA1 GLY 14 -5.685 -3.131 2.555
93 H CYS 15 HN CYS 15 -3.051 -3.339 1.415
94 HA CYS 15 HA CYS 15 -3.692 -2.682 -1.249
95 HB2 CYS 15 HB2 CYS 15 -1.024 -3.369 -0.051
96 HB3 CYS 15 HB1 CYS 15 -1.274 -2.552 -1.589
97 H CYS 16 HN CYS 16 -3.508 -3.763 -3.150
98 HA CYS 16 HA CYS 16 -3.660 -6.551 -3.220
99 HB2 CYS 16 HB2 CYS 16 -2.858 -4.704 -5.479
100 HB3 CYS 16 HB1 CYS 16 -3.445 -6.354 -5.657
101 H THR 17 HN THR 17 -0.790 -4.415 -3.557
102 HA THR 17 HA THR 17 0.955 -6.620 -4.085
103 HB THR 17 HB THR 17 2.673 -4.845 -3.541
104 HG1 THR 17 HG1 THR 17 1.883 -2.740 -3.352
105 HG21 THR 17 HG21 THR 17 2.240 -3.630 -5.633
106 HG22 THR 17 HG22 THR 17 0.602 -4.286 -5.657
107 HG23 THR 17 HG23 THR 17 1.988 -5.367 -5.819
108 H LYS 18 HN LYS 18 -0.650 -5.545 -1.363
109 HA LYS 18 HA LYS 18 -0.413 -5.466 0.819
110 HB2 LYS 18 HB2 LYS 18 1.389 -7.808 0.256
111 HB3 LYS 18 HB1 LYS 18 0.808 -7.377 1.863
112 HG2 LYS 18 HG2 LYS 18 -1.493 -7.684 1.119
113 HG3 LYS 18 HG1 LYS 18 -0.916 -8.106 -0.495
114 HD2 LYS 18 HD2 LYS 18 0.267 -9.990 0.406
115 HD3 LYS 18 HD1 LYS 18 -0.264 -9.549 2.040
116 HE2 LYS 18 HE2 LYS 18 -2.049 -10.353 -0.265
117 HE3 LYS 18 HE1 LYS 18 -1.623 -11.376 1.100
118 HZ1 LYS 18 HZ1 LYS 18 -2.734 -9.812 2.567
119 HZ2 LYS 18 HZ2 LYS 18 -3.792 -10.406 1.425
120 HZ3 LYS 18 HZ3 LYS 18 -3.200 -8.843 1.270
121 H ASN 19 HN ASN 19 1.466 -3.930 -0.830
122 HA ASN 19 HA ASN 19 3.483 -3.408 1.232
123 HB2 ASN 19 HB2 ASN 19 4.439 -4.251 -0.919
124 HB3 ASN 19 HB1 ASN 19 3.677 -2.907 -1.755
125 HD21 ASN 19 HD21 ASN 19 5.635 -2.103 -2.486
126 HD22 ASN 19 HD22 ASN 19 6.792 -1.365 -1.460
127 H CYS 20 HN CYS 20 2.802 -1.693 2.308
128 HA CYS 20 HA CYS 20 1.639 0.585 0.850
129 HB2 CYS 20 HB2 CYS 20 -0.156 -0.517 2.064
130 HB3 CYS 20 HB1 CYS 20 0.832 -0.587 3.521
131 H GLY 21 HN GLY 21 2.608 2.507 1.362
132 HA2 GLY 21 HA2 GLY 21 4.749 2.263 3.363
133 HA3 GLY 21 HA1 GLY 21 4.752 3.377 2.005
134 H TRP 22 HN TRP 22 5.389 4.561 4.253
135 HA TRP 22 HA TRP 22 3.122 5.560 5.631
136 HB2 TRP 22 HB2 TRP 22 4.816 7.121 6.628
137 HB3 TRP 22 HB1 TRP 22 5.112 5.414 6.922
138 HD1 TRP 22 HD1 TRP 22 6.224 7.290 3.707
139 HE1 TRP 22 HE1 TRP 22 8.795 7.264 3.617
140 HE3 TRP 22 HE3 TRP 22 7.181 5.206 8.268
141 HZ2 TRP 22 HZ2 TRP 22 10.943 6.483 5.261
142 HZ3 TRP 22 HZ3 TRP 22 9.520 4.864 8.941
143 HH2 TRP 22 HH2 TRP 22 11.363 5.493 7.459
144 H ASN 23 HN ASN 23 4.036 5.992 2.648
145 HA ASN 23 HA ASN 23 3.563 8.828 2.333
146 HB2 ASN 23 HB2 ASN 23 3.741 8.359 -0.085
147 HB3 ASN 23 HB1 ASN 23 5.093 7.628 0.765
148 HD21 ASN 23 HD21 ASN 23 4.058 6.930 -1.841
149 HD22 ASN 23 HD22 ASN 23 3.554 5.282 -1.766
150 H PHE 24 HN PHE 24 1.834 6.122 3.004
151 HA PHE 24 HA PHE 24 -0.298 5.540 3.146
152 HB2 PHE 24 HB2 PHE 24 -0.706 8.486 2.646
153 HB3 PHE 24 HB1 PHE 24 -2.052 7.387 2.935
154 HD1 PHE 24 HD1 PHE 24 -2.441 6.451 5.109
155 HD2 PHE 24 HD2 PHE 24 0.873 9.024 4.428
156 HE1 PHE 24 HE1 PHE 24 -2.135 6.698 7.542
157 HE2 PHE 24 HE2 PHE 24 1.181 9.270 6.856
158 HZ PHE 24 HZ PHE 24 -0.328 8.104 8.412
159 H LYS 25 HN LYS 25 1.065 5.155 0.761
160 HA LYS 25 HA LYS 25 -1.214 4.952 -1.055
161 HB2 LYS 25 HB2 LYS 25 1.610 5.708 -1.726
162 HB3 LYS 25 HB1 LYS 25 0.389 5.289 -2.918
163 HG2 LYS 25 HG2 LYS 25 -0.904 7.257 -2.281
164 HG3 LYS 25 HG1 LYS 25 0.242 7.621 -0.992
165 HD2 LYS 25 HD2 LYS 25 0.720 9.072 -2.836
166 HD3 LYS 25 HD1 LYS 25 2.010 7.879 -2.738
167 HE2 LYS 25 HE2 LYS 25 1.437 8.158 -5.037
168 HE3 LYS 25 HE1 LYS 25 0.845 6.584 -4.527
169 HZ1 LYS 25 HZ1 LYS 25 -0.763 7.815 -5.892
170 HZ2 LYS 25 HZ2 LYS 25 -0.821 9.031 -4.746
171 HZ3 LYS 25 HZ3 LYS 25 -1.402 7.500 -4.366
172 H CYS 26 HN CYS 26 -1.393 2.945 -1.915
173 HA CYS 26 HA CYS 26 0.312 0.877 -0.999
174 HB2 CYS 26 HB2 CYS 26 -1.828 0.983 -3.103
175 HB3 CYS 26 HB1 CYS 26 -0.985 -0.529 -2.708
176 H ASN 27 HN ASN 27 2.101 0.136 -1.867
177 HA ASN 27 HA ASN 27 3.078 1.536 -4.259
178 HB2 ASN 27 HB2 ASN 27 4.572 0.486 -1.840
179 HB3 ASN 27 HB1 ASN 27 5.330 1.183 -3.265
180 HD21 ASN 27 HD21 ASN 27 5.232 1.993 -0.371
181 HD22 ASN 27 HD22 ASN 27 4.706 3.632 -0.390
182 HA HYP 28 HA HYP 28 3.769 -2.502 -6.122
183 HB2 HYP 28 HB1 HYP 28 5.026 -2.034 -8.079
184 HB3 HYP 28 HB2 HYP 28 6.039 -0.850 -7.232
185 HG HYP 28 HG HYP 28 4.406 0.462 -8.409
186 HD22 HYP 28 HD11 HYP 28 2.717 0.725 -6.247
187 HD23 HYP 28 HD12 HYP 28 4.377 1.355 -6.207
188 HD1 HYP 28 HD2 HYP 28 2.366 -0.030 -8.487
189 HA HYP 29 HA HYP 29 6.542 -4.523 -3.485
190 HB2 HYP 29 HB1 HYP 29 6.418 -6.624 -4.331
191 HB3 HYP 29 HB2 HYP 29 7.744 -6.250 -5.436
192 HG HYP 29 HG HYP 29 6.043 -6.534 -7.021
193 HD22 HYP 29 HD11 HYP 29 4.847 -4.154 -7.115
194 HD23 HYP 29 HD12 HYP 29 6.621 -4.196 -7.263
195 HD1 HYP 29 HD2 HYP 29 3.931 -5.687 -6.430
196 H ASN 30 HN ASN 30 8.338 -3.709 -2.660
197 HA ASN 30 HA ASN 30 10.672 -3.319 -4.405
198 HB2 ASN 30 HB2 ASN 30 11.174 -1.152 -3.506
199 HB3 ASN 30 HB1 ASN 30 9.508 -1.120 -4.070
200 HD21 ASN 30 HD21 ASN 30 11.615 -0.954 -1.351
201 HD22 ASN 30 HD22 ASN 30 10.453 -0.489 -0.175
202 H GLN 31 HN GLN 31 9.467 -4.846 -1.826
203 HA GLN 31 HA GLN 31 11.954 -4.684 -0.311
204 HB2 GLN 31 HB2 GLN 31 9.176 -5.407 0.632
205 HB3 GLN 31 HB1 GLN 31 10.620 -5.484 1.626
206 HG2 GLN 31 HG2 GLN 31 10.916 -3.061 1.335
207 HG3 GLN 31 HG1 GLN 31 9.428 -3.012 0.394
208 HE21 GLN 31 HE21 GLN 31 7.464 -3.254 1.443
209 HE22 GLN 31 HE22 GLN 31 7.308 -3.132 3.142
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -12.099 -7.240 -1.450
2 H2 GLY 1 HT2 GLY 1 -13.129 -7.112 -2.803
3 H3 GLY 1 HT3 GLY 1 -12.482 -5.727 -2.061
4 HA2 GLY 1 HA1 GLY 1 -10.852 -7.768 -3.382
5 HA3 GLY 1 HA2 GLY 1 -11.320 -6.219 -4.088
6 H CYS 2 HN CYS 2 -8.795 -6.299 -4.047
7 HA CYS 2 HA CYS 2 -7.824 -5.359 -1.464
8 HB2 CYS 2 HB2 CYS 2 -5.572 -5.648 -2.484
9 HB3 CYS 2 HB1 CYS 2 -6.506 -7.140 -2.442
10 H ILE 3 HN ILE 3 -6.322 -3.467 -1.538
11 HA ILE 3 HA ILE 3 -7.548 -1.375 -3.086
12 HB ILE 3 HB ILE 3 -5.230 -1.246 -1.128
13 HG12 ILE 3 HG12 ILE 3 -8.141 -0.604 -0.703
14 HG13 ILE 3 HG11 ILE 3 -7.364 -2.083 -0.148
15 HG21 ILE 3 HG21 ILE 3 -6.994 0.932 -2.260
16 HG22 ILE 3 HG22 ILE 3 -5.299 0.652 -2.661
17 HG23 ILE 3 HG23 ILE 3 -5.747 1.154 -1.030
18 HD11 ILE 3 HD11 ILE 3 -6.682 0.712 0.735
19 HD12 ILE 3 HD12 ILE 3 -5.878 -0.762 1.268
20 HD13 ILE 3 HD13 ILE 3 -7.573 -0.491 1.672
21 H ALA 4 HN ALA 4 -6.888 -0.878 -5.014
22 HA ALA 4 HA ALA 4 -4.615 -1.956 -6.285
23 HB1 ALA 4 HB1 ALA 4 -6.245 0.466 -7.056
24 HB2 ALA 4 HB2 ALA 4 -6.578 -1.198 -7.537
25 HB3 ALA 4 HB3 ALA 4 -5.117 -0.390 -8.105
26 H THR 5 HN THR 5 -2.661 -0.953 -6.881
27 HA THR 5 HA THR 5 -1.672 0.541 -4.726
28 HB THR 5 HB THR 5 0.488 0.424 -5.850
29 HG1 THR 5 HG1 THR 5 -0.611 -1.164 -7.918
30 HG21 THR 5 HG21 THR 5 -0.264 -1.446 -4.524
31 HG22 THR 5 HG22 THR 5 0.670 -2.012 -5.911
32 HG23 THR 5 HG23 THR 5 -1.090 -2.131 -5.923
33 H GLY 6 HN GLY 6 -0.892 2.606 -4.635
34 HA2 GLY 6 HA2 GLY 6 -0.578 4.781 -5.542
35 HA3 GLY 6 HA1 GLY 6 -1.714 4.372 -6.824
36 H SER 7 HN SER 7 -3.438 3.100 -4.682
37 HA SER 7 HA SER 7 -4.924 5.495 -4.072
38 HB2 SER 7 HB2 SER 7 -5.570 2.630 -3.374
39 HB3 SER 7 HB1 SER 7 -6.694 3.988 -3.485
40 HG SER 7 HG SER 7 -5.683 2.375 -5.416
41 H PHE 8 HN PHE 8 -5.827 5.729 -1.846
42 HA PHE 8 HA PHE 8 -3.766 5.980 0.047
43 HB2 PHE 8 HB2 PHE 8 -5.699 7.499 -0.050
44 HB3 PHE 8 HB1 PHE 8 -6.767 6.177 0.397
45 HD1 PHE 8 HD1 PHE 8 -4.108 8.419 1.595
46 HD2 PHE 8 HD2 PHE 8 -7.006 5.506 2.681
47 HE1 PHE 8 HE1 PHE 8 -3.782 8.986 3.953
48 HE2 PHE 8 HE2 PHE 8 -6.684 6.073 5.056
49 HZ PHE 8 HZ PHE 8 -5.053 7.825 5.688
50 H CYS 9 HN CYS 9 -3.061 4.661 1.567
51 HA CYS 9 HA CYS 9 -4.728 2.348 2.285
52 HB2 CYS 9 HB2 CYS 9 -2.705 1.024 2.515
53 HB3 CYS 9 HB1 CYS 9 -2.845 1.660 0.881
54 H THR 10 HN THR 10 -4.489 1.614 4.409
55 HA THR 10 HA THR 10 -3.110 3.423 6.245
56 HB THR 10 HB THR 10 -4.750 2.377 7.940
57 HG1 THR 10 HG1 THR 10 -6.236 1.123 7.179
58 HG21 THR 10 HG21 THR 10 -5.758 4.235 5.782
59 HG22 THR 10 HG22 THR 10 -4.869 4.714 7.229
60 HG23 THR 10 HG23 THR 10 -6.489 4.028 7.371
61 H LEU 11 HN LEU 11 -3.748 0.139 5.285
62 HA LEU 11 HA LEU 11 -1.573 -0.842 6.991
63 HB2 LEU 11 HB2 LEU 11 -4.234 -2.168 6.522
64 HB3 LEU 11 HB1 LEU 11 -2.894 -2.860 7.408
65 HG LEU 11 HG LEU 11 -4.364 -0.366 8.244
66 HD11 LEU 11 HD11 LEU 11 -5.830 -2.293 8.286
67 HD12 LEU 11 HD12 LEU 11 -5.409 -1.794 9.926
68 HD13 LEU 11 HD13 LEU 11 -4.626 -3.199 9.197
69 HD21 LEU 11 HD21 LEU 11 -2.373 -2.121 9.688
70 HD22 LEU 11 HD22 LEU 11 -3.231 -0.749 10.388
71 HD23 LEU 11 HD23 LEU 11 -2.076 -0.491 9.086
72 H SER 12 HN SER 12 -0.367 -2.494 6.053
73 HA SER 12 HA SER 12 -0.059 -2.519 3.297
74 HB2 SER 12 HB2 SER 12 1.390 -4.530 3.882
75 HB3 SER 12 HB1 SER 12 1.777 -2.998 4.673
76 HG SER 12 HG SER 12 1.069 -5.339 5.752
77 H LYS 13 HN LYS 13 -1.873 -4.524 5.387
78 HA LYS 13 HA LYS 13 -2.286 -6.852 3.884
79 HB2 LYS 13 HB2 LYS 13 -4.089 -5.542 5.908
80 HB3 LYS 13 HB1 LYS 13 -4.387 -7.122 5.216
81 HG2 LYS 13 HG2 LYS 13 -3.452 -7.491 7.301
82 HG3 LYS 13 HG1 LYS 13 -2.172 -7.797 6.116
83 HD2 LYS 13 HD2 LYS 13 -1.187 -5.626 6.612
84 HD3 LYS 13 HD1 LYS 13 -2.479 -5.281 7.772
85 HE2 LYS 13 HE2 LYS 13 -0.465 -7.521 7.926
86 HE3 LYS 13 HE1 LYS 13 -0.392 -6.023 8.843
87 HZ1 LYS 13 HZ1 LYS 13 -2.549 -8.073 9.072
88 HZ2 LYS 13 HZ2 LYS 13 -2.425 -6.657 9.995
89 HZ3 LYS 13 HZ3 LYS 13 -1.269 -7.855 10.138
90 H GLY 14 HN GLY 14 -3.895 -3.855 3.917
91 HA2 GLY 14 HA2 GLY 14 -6.164 -4.629 2.345
92 HA3 GLY 14 HA1 GLY 14 -5.674 -2.973 2.664
93 H CYS 15 HN CYS 15 -3.001 -3.520 1.510
94 HA CYS 15 HA CYS 15 -3.655 -2.647 -1.138
95 HB2 CYS 15 HB2 CYS 15 -1.038 -3.330 0.139
96 HB3 CYS 15 HB1 CYS 15 -1.225 -2.488 -1.399
97 H CYS 16 HN CYS 16 -3.387 -3.708 -3.063
98 HA CYS 16 HA CYS 16 -3.554 -6.499 -3.167
99 HB2 CYS 16 HB2 CYS 16 -2.623 -4.634 -5.359
100 HB3 CYS 16 HB1 CYS 16 -3.167 -6.291 -5.581
101 H THR 17 HN THR 17 -0.701 -4.359 -3.348
102 HA THR 17 HA THR 17 1.066 -6.523 -3.947
103 HB THR 17 HB THR 17 2.731 -4.651 -3.486
104 HG1 THR 17 HG1 THR 17 1.945 -2.702 -3.087
105 HG21 THR 17 HG21 THR 17 0.620 -4.308 -5.624
106 HG22 THR 17 HG22 THR 17 2.081 -5.298 -5.766
107 HG23 THR 17 HG23 THR 17 2.202 -3.538 -5.626
108 H LYS 18 HN LYS 18 -0.555 -5.767 -1.191
109 HA LYS 18 HA LYS 18 -0.289 -5.965 1.019
110 HB2 LYS 18 HB2 LYS 18 1.922 -7.811 0.127
111 HB3 LYS 18 HB1 LYS 18 1.446 -7.633 1.809
112 HG2 LYS 18 HG2 LYS 18 -0.402 -8.488 -0.400
113 HG3 LYS 18 HG1 LYS 18 0.447 -9.596 0.682
114 HD2 LYS 18 HD2 LYS 18 -0.668 -8.542 2.604
115 HD3 LYS 18 HD1 LYS 18 -1.534 -7.468 1.511
116 HE2 LYS 18 HE2 LYS 18 -2.883 -9.389 2.256
117 HE3 LYS 18 HE1 LYS 18 -2.684 -9.322 0.508
118 HZ1 LYS 18 HZ1 LYS 18 -1.046 -11.043 0.630
119 HZ2 LYS 18 HZ2 LYS 18 -2.412 -11.563 1.464
120 HZ3 LYS 18 HZ3 LYS 18 -1.061 -11.049 2.311
121 H ASN 19 HN ASN 19 1.344 -3.911 -0.480
122 HA ASN 19 HA ASN 19 3.009 -3.237 1.814
123 HB2 ASN 19 HB2 ASN 19 4.569 -4.048 0.170
124 HB3 ASN 19 HB1 ASN 19 3.853 -3.038 -1.082
125 HD21 ASN 19 HD21 ASN 19 4.607 -1.057 -1.331
126 HD22 ASN 19 HD22 ASN 19 5.778 -0.278 -0.323
127 H CYS 20 HN CYS 20 2.153 -1.668 2.742
128 HA CYS 20 HA CYS 20 0.972 0.543 1.226
129 HB2 CYS 20 HB2 CYS 20 -0.478 -0.390 2.965
130 HB3 CYS 20 HB1 CYS 20 0.811 -0.264 4.151
131 H GLY 21 HN GLY 21 2.229 2.315 1.016
132 HA2 GLY 21 HA2 GLY 21 4.785 2.247 2.314
133 HA3 GLY 21 HA1 GLY 21 4.246 3.383 1.082
134 H TRP 22 HN TRP 22 5.659 4.446 3.080
135 HA TRP 22 HA TRP 22 3.936 5.330 5.168
136 HB2 TRP 22 HB2 TRP 22 5.810 6.726 5.793
137 HB3 TRP 22 HB1 TRP 22 6.322 5.080 5.767
138 HD1 TRP 22 HD1 TRP 22 7.793 4.537 3.261
139 HE1 TRP 22 HE1 TRP 22 9.560 6.122 2.223
140 HE3 TRP 22 HE3 TRP 22 6.455 8.694 5.590
141 HZ2 TRP 22 HZ2 TRP 22 10.273 8.846 2.398
142 HZ3 TRP 22 HZ3 TRP 22 7.703 10.863 5.162
143 HH2 TRP 22 HH2 TRP 22 9.581 10.893 3.586
144 H ASN 23 HN ASN 23 4.158 5.991 2.060
145 HA ASN 23 HA ASN 23 3.666 8.848 2.127
146 HB2 ASN 23 HB2 ASN 23 3.581 8.672 -0.311
147 HB3 ASN 23 HB1 ASN 23 5.024 7.871 0.293
148 HD21 ASN 23 HD21 ASN 23 3.693 7.479 -2.251
149 HD22 ASN 23 HD22 ASN 23 3.234 5.821 -2.298
150 H PHE 24 HN PHE 24 1.958 6.252 2.928
151 HA PHE 24 HA PHE 24 -0.211 5.813 3.326
152 HB2 PHE 24 HB2 PHE 24 -0.714 8.660 2.376
153 HB3 PHE 24 HB1 PHE 24 -1.915 7.625 3.121
154 HD1 PHE 24 HD1 PHE 24 1.129 9.589 3.691
155 HD2 PHE 24 HD2 PHE 24 -1.898 7.194 5.479
156 HE1 PHE 24 HE1 PHE 24 1.827 10.378 5.913
157 HE2 PHE 24 HE2 PHE 24 -1.201 7.982 7.706
158 HZ PHE 24 HZ PHE 24 0.661 9.571 7.921
159 H LYS 25 HN LYS 25 1.056 5.398 0.682
160 HA LYS 25 HA LYS 25 -1.420 4.873 -0.789
161 HB2 LYS 25 HB2 LYS 25 1.227 5.807 -1.784
162 HB3 LYS 25 HB1 LYS 25 0.062 5.039 -2.859
163 HG2 LYS 25 HG2 LYS 25 -1.510 6.839 -2.429
164 HG3 LYS 25 HG1 LYS 25 -0.372 7.570 -1.289
165 HD2 LYS 25 HD2 LYS 25 1.217 7.958 -3.043
166 HD3 LYS 25 HD1 LYS 25 0.218 7.079 -4.201
167 HE2 LYS 25 HE2 LYS 25 -0.647 9.569 -2.759
168 HE3 LYS 25 HE1 LYS 25 0.073 9.568 -4.371
169 HZ1 LYS 25 HZ1 LYS 25 -1.759 8.185 -5.131
170 HZ2 LYS 25 HZ2 LYS 25 -2.330 9.644 -4.505
171 HZ3 LYS 25 HZ3 LYS 25 -2.483 8.222 -3.611
172 H CYS 26 HN CYS 26 -1.553 2.908 -1.677
173 HA CYS 26 HA CYS 26 0.160 0.844 -0.792
174 HB2 CYS 26 HB2 CYS 26 -1.947 0.964 -2.927
175 HB3 CYS 26 HB1 CYS 26 -1.107 -0.544 -2.517
176 H ASN 27 HN ASN 27 1.982 0.070 -1.649
177 HA ASN 27 HA ASN 27 2.875 1.213 -4.201
178 HB2 ASN 27 HB2 ASN 27 4.468 0.834 -1.658
179 HB3 ASN 27 HB1 ASN 27 5.168 1.296 -3.202
180 HD21 ASN 27 HD21 ASN 27 5.246 2.655 -0.668
181 HD22 ASN 27 HD22 ASN 27 4.506 4.197 -0.881
182 HA HYP 28 HA HYP 28 4.066 -3.119 -4.766
183 HB2 HYP 28 HB1 HYP 28 4.557 -3.144 -7.026
184 HB3 HYP 28 HB2 HYP 28 6.028 -2.198 -6.759
185 HG HYP 28 HG HYP 28 4.653 -0.660 -7.940
186 HD22 HYP 28 HD11 HYP 28 3.565 0.647 -5.928
187 HD23 HYP 28 HD12 HYP 28 5.326 0.383 -5.865
188 HD1 HYP 28 HD2 HYP 28 2.519 -0.415 -7.363
189 HA HYP 29 HA HYP 29 7.791 -3.434 -2.554
190 HB2 HYP 29 HB1 HYP 29 8.096 -5.688 -2.319
191 HB3 HYP 29 HB2 HYP 29 8.800 -5.808 -3.938
192 HG HYP 29 HG HYP 29 6.739 -6.957 -4.228
193 HD22 HYP 29 HD11 HYP 29 5.196 -4.992 -5.107
194 HD23 HYP 29 HD12 HYP 29 6.817 -5.115 -5.835
195 HD1 HYP 29 HD2 HYP 29 4.849 -5.898 -3.379
196 H ASN 30 HN ASN 30 8.647 -1.583 -3.480
197 HA ASN 30 HA ASN 30 11.110 -2.044 -4.986
198 HB2 ASN 30 HB2 ASN 30 9.263 -1.140 -6.504
199 HB3 ASN 30 HB1 ASN 30 9.235 0.287 -5.486
200 HD21 ASN 30 HD21 ASN 30 9.781 0.089 -8.316
201 HD22 ASN 30 HD22 ASN 30 11.365 0.714 -8.568
202 H GLN 31 HN GLN 31 11.869 -1.989 -2.773
203 HA GLN 31 HA GLN 31 12.310 0.751 -1.905
204 HB2 GLN 31 HB2 GLN 31 11.779 -1.633 -0.113
205 HB3 GLN 31 HB1 GLN 31 12.488 -0.141 0.460
206 HG2 GLN 31 HG2 GLN 31 10.249 0.015 1.065
207 HG3 GLN 31 HG1 GLN 31 10.368 1.004 -0.380
208 HE21 GLN 31 HE21 GLN 31 10.183 -2.507 -0.334
209 HE22 GLN 31 HE22 GLN 31 8.597 -2.606 -1.002
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -12.482 -6.644 -2.102
2 H2 GLY 1 HT2 GLY 1 -11.859 -8.188 -1.916
3 H3 GLY 1 HT3 GLY 1 -13.010 -7.876 -3.129
4 HA2 GLY 1 HA1 GLY 1 -10.760 -8.036 -4.037
5 HA3 GLY 1 HA2 GLY 1 -11.447 -6.422 -4.238
6 H CYS 2 HN CYS 2 -8.854 -6.389 -4.387
7 HA CYS 2 HA CYS 2 -7.929 -5.692 -1.705
8 HB2 CYS 2 HB2 CYS 2 -5.628 -5.998 -2.647
9 HB3 CYS 2 HB1 CYS 2 -6.581 -7.475 -2.610
10 H ILE 3 HN ILE 3 -6.715 -3.759 -1.498
11 HA ILE 3 HA ILE 3 -7.708 -1.656 -3.146
12 HB ILE 3 HB ILE 3 -5.610 -1.596 -0.951
13 HG12 ILE 3 HG12 ILE 3 -8.554 -0.911 -0.853
14 HG13 ILE 3 HG11 ILE 3 -7.842 -2.394 -0.231
15 HG21 ILE 3 HG21 ILE 3 -7.139 0.670 -2.238
16 HG22 ILE 3 HG22 ILE 3 -5.415 0.345 -2.417
17 HG23 ILE 3 HG23 ILE 3 -6.065 0.818 -0.846
18 HD11 ILE 3 HD11 ILE 3 -6.549 -1.126 1.350
19 HD12 ILE 3 HD12 ILE 3 -8.275 -0.788 1.545
20 HD13 ILE 3 HD13 ILE 3 -7.219 0.380 0.735
21 H ALA 4 HN ALA 4 -6.788 -0.743 -4.812
22 HA ALA 4 HA ALA 4 -4.509 -1.857 -6.053
23 HB1 ALA 4 HB1 ALA 4 -5.991 0.685 -6.681
24 HB2 ALA 4 HB2 ALA 4 -6.361 -0.910 -7.340
25 HB3 ALA 4 HB3 ALA 4 -4.829 -0.122 -7.725
26 H THR 5 HN THR 5 -2.517 -0.914 -6.430
27 HA THR 5 HA THR 5 -1.567 0.681 -4.313
28 HB THR 5 HB THR 5 0.594 0.482 -5.470
29 HG1 THR 5 HG1 THR 5 0.267 0.342 -7.613
30 HG21 THR 5 HG21 THR 5 -0.987 -2.067 -5.361
31 HG22 THR 5 HG22 THR 5 -0.161 -1.288 -4.010
32 HG23 THR 5 HG23 THR 5 0.771 -1.941 -5.358
33 H GLY 6 HN GLY 6 -0.774 2.771 -4.456
34 HA2 GLY 6 HA2 GLY 6 -0.601 4.879 -5.554
35 HA3 GLY 6 HA1 GLY 6 -1.805 4.329 -6.723
36 H SER 7 HN SER 7 -3.437 3.109 -4.559
37 HA SER 7 HA SER 7 -4.879 5.494 -3.853
38 HB2 SER 7 HB2 SER 7 -5.476 2.566 -3.360
39 HB3 SER 7 HB1 SER 7 -6.597 3.904 -3.094
40 HG SER 7 HG SER 7 -5.889 4.313 -5.465
41 H PHE 8 HN PHE 8 -5.697 5.687 -1.598
42 HA PHE 8 HA PHE 8 -3.518 5.855 0.184
43 HB2 PHE 8 HB2 PHE 8 -5.282 7.509 0.192
44 HB3 PHE 8 HB1 PHE 8 -6.486 6.287 0.567
45 HD1 PHE 8 HD1 PHE 8 -3.513 8.043 1.907
46 HD2 PHE 8 HD2 PHE 8 -6.985 5.759 2.797
47 HE1 PHE 8 HE1 PHE 8 -3.218 8.530 4.297
48 HE2 PHE 8 HE2 PHE 8 -6.694 6.237 5.186
49 HZ PHE 8 HZ PHE 8 -4.804 7.626 5.941
50 H CYS 9 HN CYS 9 -2.887 4.558 1.745
51 HA CYS 9 HA CYS 9 -4.556 2.227 2.334
52 HB2 CYS 9 HB2 CYS 9 -2.406 1.099 2.948
53 HB3 CYS 9 HB1 CYS 9 -2.631 1.446 1.241
54 H THR 10 HN THR 10 -5.036 1.764 4.352
55 HA THR 10 HA THR 10 -3.850 3.329 6.505
56 HB THR 10 HB THR 10 -5.784 2.209 7.803
57 HG1 THR 10 HG1 THR 10 -7.356 1.967 5.633
58 HG21 THR 10 HG21 THR 10 -5.842 4.575 7.130
59 HG22 THR 10 HG22 THR 10 -7.440 3.841 6.989
60 HG23 THR 10 HG23 THR 10 -6.459 4.103 5.547
61 H LEU 11 HN LEU 11 -4.610 0.114 5.365
62 HA LEU 11 HA LEU 11 -2.582 -1.033 7.132
63 HB2 LEU 11 HB2 LEU 11 -5.163 -2.342 6.244
64 HB3 LEU 11 HB1 LEU 11 -3.946 -3.061 7.275
65 HG LEU 11 HG LEU 11 -5.652 -0.675 8.013
66 HD11 LEU 11 HD11 LEU 11 -6.961 -2.723 7.867
67 HD12 LEU 11 HD12 LEU 11 -6.784 -2.188 9.538
68 HD13 LEU 11 HD13 LEU 11 -5.816 -3.534 8.939
69 HD21 LEU 11 HD21 LEU 11 -3.718 -2.299 9.671
70 HD22 LEU 11 HD22 LEU 11 -4.758 -1.009 10.270
71 HD23 LEU 11 HD23 LEU 11 -3.471 -0.641 9.123
72 H SER 12 HN SER 12 -1.074 -2.203 6.067
73 HA SER 12 HA SER 12 -0.723 -1.988 3.313
74 HB2 SER 12 HB2 SER 12 1.113 -3.671 3.856
75 HB3 SER 12 HB1 SER 12 1.146 -2.124 4.712
76 HG SER 12 HG SER 12 1.405 -4.120 5.980
77 H LYS 13 HN LYS 13 -2.066 -4.478 5.275
78 HA LYS 13 HA LYS 13 -1.859 -6.642 3.463
79 HB2 LYS 13 HB2 LYS 13 -3.697 -6.268 5.829
80 HB3 LYS 13 HB1 LYS 13 -3.532 -7.768 4.935
81 HG2 LYS 13 HG2 LYS 13 -2.189 -8.091 6.791
82 HG3 LYS 13 HG1 LYS 13 -1.096 -7.573 5.485
83 HD2 LYS 13 HD2 LYS 13 -0.980 -5.341 6.389
84 HD3 LYS 13 HD1 LYS 13 -2.159 -5.741 7.643
85 HE2 LYS 13 HE2 LYS 13 0.587 -6.949 7.315
86 HE3 LYS 13 HE1 LYS 13 0.169 -5.680 8.461
87 HZ1 LYS 13 HZ1 LYS 13 -0.969 -8.427 8.456
88 HZ2 LYS 13 HZ2 LYS 13 -1.314 -7.221 9.569
89 HZ3 LYS 13 HZ3 LYS 13 0.228 -7.877 9.501
90 H GLY 14 HN GLY 14 -3.996 -4.159 3.869
91 HA2 GLY 14 HA2 GLY 14 -6.289 -5.187 2.494
92 HA3 GLY 14 HA1 GLY 14 -5.974 -3.484 2.784
93 H CYS 15 HN CYS 15 -3.315 -3.871 1.332
94 HA CYS 15 HA CYS 15 -4.455 -3.274 -1.268
95 HB2 CYS 15 HB2 CYS 15 -1.659 -2.952 -0.231
96 HB3 CYS 15 HB1 CYS 15 -2.196 -2.497 -1.844
97 H CYS 16 HN CYS 16 -3.722 -4.117 -3.175
98 HA CYS 16 HA CYS 16 -3.567 -6.866 -3.303
99 HB2 CYS 16 HB2 CYS 16 -2.591 -4.929 -5.407
100 HB3 CYS 16 HB1 CYS 16 -3.068 -6.604 -5.669
101 H THR 17 HN THR 17 -0.752 -4.541 -3.543
102 HA THR 17 HA THR 17 1.106 -6.680 -3.880
103 HB THR 17 HB THR 17 2.750 -4.831 -3.582
104 HG1 THR 17 HG1 THR 17 1.976 -2.785 -3.251
105 HG21 THR 17 HG21 THR 17 1.879 -5.371 -5.811
106 HG22 THR 17 HG22 THR 17 2.065 -3.617 -5.638
107 HG23 THR 17 HG23 THR 17 0.473 -4.351 -5.511
108 H LYS 18 HN LYS 18 -0.530 -5.404 -1.247
109 HA LYS 18 HA LYS 18 -0.420 -5.544 1.002
110 HB2 LYS 18 HB2 LYS 18 1.879 -7.475 0.547
111 HB3 LYS 18 HB1 LYS 18 1.017 -7.252 2.059
112 HG2 LYS 18 HG2 LYS 18 -0.214 -8.279 -0.494
113 HG3 LYS 18 HG1 LYS 18 0.345 -9.289 0.839
114 HD2 LYS 18 HD2 LYS 18 -1.272 -8.259 2.316
115 HD3 LYS 18 HD1 LYS 18 -1.810 -7.187 1.018
116 HE2 LYS 18 HE2 LYS 18 -1.961 -10.195 0.976
117 HE3 LYS 18 HE1 LYS 18 -3.304 -9.126 1.364
118 HZ1 LYS 18 HZ1 LYS 18 -1.864 -9.153 -1.247
119 HZ2 LYS 18 HZ2 LYS 18 -3.266 -8.273 -0.867
120 HZ3 LYS 18 HZ3 LYS 18 -3.298 -9.936 -0.921
121 H ASN 19 HN ASN 19 1.448 -3.809 -0.698
122 HA ASN 19 HA ASN 19 3.379 -3.140 1.414
123 HB2 ASN 19 HB2 ASN 19 4.489 -3.961 -0.577
124 HB3 ASN 19 HB1 ASN 19 3.626 -2.799 -1.573
125 HD21 ASN 19 HD21 ASN 19 5.562 -1.932 -2.328
126 HD22 ASN 19 HD22 ASN 19 6.560 -0.938 -1.356
127 H CYS 20 HN CYS 20 2.397 -1.589 2.535
128 HA CYS 20 HA CYS 20 1.263 0.735 1.164
129 HB2 CYS 20 HB2 CYS 20 -0.074 -0.190 2.984
130 HB3 CYS 20 HB1 CYS 20 1.286 -0.082 4.095
131 H GLY 21 HN GLY 21 2.451 2.555 0.930
132 HA2 GLY 21 HA2 GLY 21 5.152 2.442 1.952
133 HA3 GLY 21 HA1 GLY 21 4.549 3.523 0.707
134 H TRP 22 HN TRP 22 6.144 4.664 2.373
135 HA TRP 22 HA TRP 22 5.172 5.641 4.802
136 HB2 TRP 22 HB2 TRP 22 7.000 7.181 4.672
137 HB3 TRP 22 HB1 TRP 22 7.593 5.616 4.214
138 HD1 TRP 22 HD1 TRP 22 7.250 5.518 1.130
139 HE1 TRP 22 HE1 TRP 22 8.358 7.230 -0.412
140 HE3 TRP 22 HE3 TRP 22 7.999 9.135 4.517
141 HZ2 TRP 22 HZ2 TRP 22 9.449 9.852 -0.198
142 HZ3 TRP 22 HZ3 TRP 22 9.099 11.278 3.816
143 HH2 TRP 22 HH2 TRP 22 9.804 11.601 1.492
144 H ASN 23 HN ASN 23 4.287 6.391 1.679
145 HA ASN 23 HA ASN 23 3.546 9.162 2.206
146 HB2 ASN 23 HB2 ASN 23 3.102 9.254 -0.210
147 HB3 ASN 23 HB1 ASN 23 4.725 8.655 0.106
148 HD21 ASN 23 HD21 ASN 23 3.175 8.315 -2.258
149 HD22 ASN 23 HD22 ASN 23 2.954 6.623 -2.500
150 H PHE 24 HN PHE 24 2.309 6.294 2.892
151 HA PHE 24 HA PHE 24 0.324 5.423 3.336
152 HB2 PHE 24 HB2 PHE 24 -0.442 8.315 3.266
153 HB3 PHE 24 HB1 PHE 24 -1.681 7.079 3.465
154 HD1 PHE 24 HD1 PHE 24 1.098 8.827 5.030
155 HD2 PHE 24 HD2 PHE 24 -1.691 5.642 5.422
156 HE1 PHE 24 HE1 PHE 24 1.587 8.694 7.441
157 HE2 PHE 24 HE2 PHE 24 -1.209 5.504 7.829
158 HZ PHE 24 HZ PHE 24 0.435 7.035 8.842
159 H LYS 25 HN LYS 25 1.250 5.630 0.620
160 HA LYS 25 HA LYS 25 -1.292 4.859 -0.609
161 HB2 LYS 25 HB2 LYS 25 1.170 6.056 -1.783
162 HB3 LYS 25 HB1 LYS 25 -0.051 5.282 -2.784
163 HG2 LYS 25 HG2 LYS 25 -1.655 7.008 -2.071
164 HG3 LYS 25 HG1 LYS 25 -0.386 7.761 -1.093
165 HD2 LYS 25 HD2 LYS 25 0.953 8.178 -3.049
166 HD3 LYS 25 HD1 LYS 25 -0.178 7.286 -4.062
167 HE2 LYS 25 HE2 LYS 25 -0.780 9.834 -2.578
168 HE3 LYS 25 HE1 LYS 25 -0.404 9.712 -4.295
169 HZ1 LYS 25 HZ1 LYS 25 -2.786 8.600 -2.906
170 HZ2 LYS 25 HZ2 LYS 25 -2.371 8.214 -4.484
171 HZ3 LYS 25 HZ3 LYS 25 -2.756 9.805 -4.085
172 H CYS 26 HN CYS 26 -1.198 2.866 -1.553
173 HA CYS 26 HA CYS 26 1.029 1.294 -0.774
174 HB2 CYS 26 HB2 CYS 26 -1.494 0.590 -2.219
175 HB3 CYS 26 HB1 CYS 26 -0.186 -0.574 -2.038
176 H ASN 27 HN ASN 27 2.454 0.190 -1.939
177 HA ASN 27 HA ASN 27 3.099 1.408 -4.539
178 HB2 ASN 27 HB2 ASN 27 4.869 0.807 -2.162
179 HB3 ASN 27 HB1 ASN 27 5.511 1.103 -3.772
180 HD21 ASN 27 HD21 ASN 27 5.851 2.574 -1.243
181 HD22 ASN 27 HD22 ASN 27 5.370 4.193 -1.599
182 HA HYP 28 HA HYP 28 3.867 -2.870 -5.775
183 HB2 HYP 28 HB1 HYP 28 5.036 -2.742 -7.807
184 HB3 HYP 28 HB2 HYP 28 6.345 -1.791 -7.084
185 HG HYP 28 HG HYP 28 5.096 -0.229 -8.422
186 HD22 HYP 28 HD11 HYP 28 3.769 0.891 -6.414
187 HD23 HYP 28 HD12 HYP 28 5.522 0.656 -6.210
188 HD1 HYP 28 HD2 HYP 28 2.839 -0.051 -7.949
189 HA HYP 29 HA HYP 29 6.250 -4.337 -2.471
190 HB2 HYP 29 HB1 HYP 29 5.427 -6.400 -2.822
191 HB3 HYP 29 HB2 HYP 29 7.026 -6.724 -3.509
192 HG HYP 29 HG HYP 29 5.939 -7.061 -5.547
193 HD22 HYP 29 HD11 HYP 29 4.801 -4.689 -6.266
194 HD23 HYP 29 HD12 HYP 29 6.568 -4.866 -6.190
195 HD1 HYP 29 HD2 HYP 29 3.797 -6.101 -5.711
196 H ASN 30 HN ASN 30 8.133 -3.419 -2.062
197 HA ASN 30 HA ASN 30 10.491 -4.382 -3.455
198 HB2 ASN 30 HB2 ASN 30 9.901 -2.249 -4.603
199 HB3 ASN 30 HB1 ASN 30 9.939 -1.415 -3.060
200 HD21 ASN 30 HD21 ASN 30 11.858 -0.644 -2.338
201 HD22 ASN 30 HD22 ASN 30 13.362 -0.874 -3.133
202 H GLN 31 HN GLN 31 9.554 -1.988 -1.034
203 HA GLN 31 HA GLN 31 11.047 -3.511 0.974
204 HB2 GLN 31 HB2 GLN 31 10.984 -0.481 0.788
205 HB3 GLN 31 HB1 GLN 31 11.773 -1.423 2.038
206 HG2 GLN 31 HG2 GLN 31 12.530 -1.317 -0.861
207 HG3 GLN 31 HG1 GLN 31 13.383 -0.562 0.482
208 HE21 GLN 31 HE21 GLN 31 14.138 -2.553 -1.509
209 HE22 GLN 31 HE22 GLN 31 14.781 -3.880 -0.607
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -12.478 -7.820 -0.815
2 H2 GLY 1 HT2 GLY 1 -11.949 -6.476 0.063
3 H3 GLY 1 HT3 GLY 1 -10.943 -7.808 -0.100
4 HA2 GLY 1 HA1 GLY 1 -10.779 -7.425 -2.464
5 HA3 GLY 1 HA2 GLY 1 -11.837 -6.029 -2.283
6 H CYS 2 HN CYS 2 -8.847 -6.596 -2.954
7 HA CYS 2 HA CYS 2 -7.505 -5.117 -0.890
8 HB2 CYS 2 HB2 CYS 2 -5.480 -5.468 -2.226
9 HB3 CYS 2 HB1 CYS 2 -6.356 -6.972 -1.973
10 H ILE 3 HN ILE 3 -6.304 -3.223 -1.250
11 HA ILE 3 HA ILE 3 -7.668 -1.264 -2.871
12 HB ILE 3 HB ILE 3 -5.220 -0.974 -1.086
13 HG12 ILE 3 HG12 ILE 3 -8.102 -0.316 -0.497
14 HG13 ILE 3 HG11 ILE 3 -7.250 -1.719 0.141
15 HG21 ILE 3 HG21 ILE 3 -5.744 1.430 -1.133
16 HG22 ILE 3 HG22 ILE 3 -7.062 1.113 -2.262
17 HG23 ILE 3 HG23 ILE 3 -5.394 0.797 -2.744
18 HD11 ILE 3 HD11 ILE 3 -5.716 -0.229 1.343
19 HD12 ILE 3 HD12 ILE 3 -7.395 0.061 1.804
20 HD13 ILE 3 HD13 ILE 3 -6.576 1.167 0.701
21 H ALA 4 HN ALA 4 -7.036 -0.793 -4.839
22 HA ALA 4 HA ALA 4 -4.826 -2.054 -6.078
23 HB1 ALA 4 HB1 ALA 4 -6.472 0.272 -7.063
24 HB2 ALA 4 HB2 ALA 4 -6.829 -1.436 -7.335
25 HB3 ALA 4 HB3 ALA 4 -5.377 -0.713 -8.030
26 H THR 5 HN THR 5 -2.911 -1.186 -6.784
27 HA THR 5 HA THR 5 -1.814 0.640 -4.978
28 HB THR 5 HB THR 5 0.225 0.463 -6.302
29 HG1 THR 5 HG1 THR 5 -1.040 -1.606 -7.798
30 HG21 THR 5 HG21 THR 5 -1.168 -2.096 -5.582
31 HG22 THR 5 HG22 THR 5 -0.188 -1.069 -4.531
32 HG23 THR 5 HG23 THR 5 0.561 -1.931 -5.870
33 H GLY 6 HN GLY 6 -1.174 2.669 -5.153
34 HA2 GLY 6 HA2 GLY 6 -0.931 4.704 -6.439
35 HA3 GLY 6 HA1 GLY 6 -2.268 4.150 -7.448
36 H SER 7 HN SER 7 -3.652 3.098 -4.999
37 HA SER 7 HA SER 7 -4.886 5.611 -4.248
38 HB2 SER 7 HB2 SER 7 -5.681 2.765 -3.607
39 HB3 SER 7 HB1 SER 7 -6.650 4.207 -3.305
40 HG SER 7 HG SER 7 -5.704 3.607 -5.882
41 H PHE 8 HN PHE 8 -5.447 5.946 -1.985
42 HA PHE 8 HA PHE 8 -3.274 5.898 -0.201
43 HB2 PHE 8 HB2 PHE 8 -5.034 7.603 -0.181
44 HB3 PHE 8 HB1 PHE 8 -6.234 6.390 0.216
45 HD1 PHE 8 HD1 PHE 8 -3.389 8.342 1.496
46 HD2 PHE 8 HD2 PHE 8 -6.562 5.676 2.481
47 HE1 PHE 8 HE1 PHE 8 -3.088 8.862 3.881
48 HE2 PHE 8 HE2 PHE 8 -6.254 6.186 4.863
49 HZ PHE 8 HZ PHE 8 -4.521 7.777 5.566
50 H CYS 9 HN CYS 9 -2.940 4.637 1.665
51 HA CYS 9 HA CYS 9 -4.688 2.304 1.983
52 HB2 CYS 9 HB2 CYS 9 -2.697 0.940 2.487
53 HB3 CYS 9 HB1 CYS 9 -2.722 1.531 0.831
54 H THR 10 HN THR 10 -5.043 1.619 4.064
55 HA THR 10 HA THR 10 -3.971 3.303 6.166
56 HB THR 10 HB THR 10 -5.814 2.075 7.470
57 HG1 THR 10 HG1 THR 10 -7.396 1.129 6.169
58 HG21 THR 10 HG21 THR 10 -6.043 4.406 6.679
59 HG22 THR 10 HG22 THR 10 -7.574 3.542 6.561
60 HG23 THR 10 HG23 THR 10 -6.601 3.812 5.116
61 H LEU 11 HN LEU 11 -4.319 -0.021 5.086
62 HA LEU 11 HA LEU 11 -2.375 -0.935 7.111
63 HB2 LEU 11 HB2 LEU 11 -4.690 -2.476 5.944
64 HB3 LEU 11 HB1 LEU 11 -3.582 -3.043 7.172
65 HG LEU 11 HG LEU 11 -5.566 -0.793 7.538
66 HD11 LEU 11 HD11 LEU 11 -6.789 -2.369 8.920
67 HD12 LEU 11 HD12 LEU 11 -5.623 -3.629 8.529
68 HD13 LEU 11 HD13 LEU 11 -6.653 -2.957 7.263
69 HD21 LEU 11 HD21 LEU 11 -3.805 -2.224 9.520
70 HD22 LEU 11 HD22 LEU 11 -5.008 -0.995 9.909
71 HD23 LEU 11 HD23 LEU 11 -3.584 -0.567 8.960
72 H SER 12 HN SER 12 -0.859 -2.521 6.343
73 HA SER 12 HA SER 12 -0.176 -2.365 3.614
74 HB2 SER 12 HB2 SER 12 1.469 -4.179 4.287
75 HB3 SER 12 HB1 SER 12 1.569 -2.662 5.185
76 HG SER 12 HG SER 12 0.834 -5.187 5.999
77 H LYS 13 HN LYS 13 -1.857 -4.696 5.557
78 HA LYS 13 HA LYS 13 -2.003 -6.647 3.515
79 HB2 LYS 13 HB2 LYS 13 -3.656 -7.799 5.025
80 HB3 LYS 13 HB1 LYS 13 -2.090 -7.477 5.730
81 HG2 LYS 13 HG2 LYS 13 -3.720 -7.054 7.412
82 HG3 LYS 13 HG1 LYS 13 -3.100 -5.495 6.894
83 HD2 LYS 13 HD2 LYS 13 -5.516 -5.390 7.204
84 HD3 LYS 13 HD1 LYS 13 -5.116 -5.184 5.502
85 HE2 LYS 13 HE2 LYS 13 -5.724 -7.475 5.039
86 HE3 LYS 13 HE1 LYS 13 -6.001 -7.785 6.754
87 HZ1 LYS 13 HZ1 LYS 13 -7.543 -5.867 5.081
88 HZ2 LYS 13 HZ2 LYS 13 -7.809 -6.210 6.701
89 HZ3 LYS 13 HZ3 LYS 13 -8.062 -7.398 5.550
90 H GLY 14 HN GLY 14 -3.409 -3.762 3.608
91 HA2 GLY 14 HA2 GLY 14 -5.939 -4.594 2.489
92 HA3 GLY 14 HA1 GLY 14 -5.427 -2.931 2.789
93 H CYS 15 HN CYS 15 -2.839 -3.518 1.485
94 HA CYS 15 HA CYS 15 -3.649 -2.638 -1.119
95 HB2 CYS 15 HB2 CYS 15 -0.941 -3.239 0.031
96 HB3 CYS 15 HB1 CYS 15 -1.232 -2.459 -1.522
97 H CYS 16 HN CYS 16 -3.449 -3.682 -3.060
98 HA CYS 16 HA CYS 16 -3.510 -6.486 -3.125
99 HB2 CYS 16 HB2 CYS 16 -2.869 -4.603 -5.406
100 HB3 CYS 16 HB1 CYS 16 -3.399 -6.271 -5.575
101 H THR 17 HN THR 17 -0.741 -4.215 -3.491
102 HA THR 17 HA THR 17 1.096 -6.300 -4.159
103 HB THR 17 HB THR 17 2.714 -4.419 -3.546
104 HG1 THR 17 HG1 THR 17 1.857 -2.478 -3.183
105 HG21 THR 17 HG21 THR 17 0.679 -4.043 -5.749
106 HG22 THR 17 HG22 THR 17 2.159 -4.999 -5.865
107 HG23 THR 17 HG23 THR 17 2.248 -3.247 -5.672
108 H LYS 18 HN LYS 18 -0.438 -5.458 -1.332
109 HA LYS 18 HA LYS 18 -0.177 -5.787 0.871
110 HB2 LYS 18 HB2 LYS 18 2.132 -7.545 0.026
111 HB3 LYS 18 HB1 LYS 18 1.529 -7.446 1.669
112 HG2 LYS 18 HG2 LYS 18 -0.063 -8.352 -0.716
113 HG3 LYS 18 HG1 LYS 18 0.725 -9.428 0.430
114 HD2 LYS 18 HD2 LYS 18 -1.497 -7.466 1.059
115 HD3 LYS 18 HD1 LYS 18 -1.667 -9.210 0.905
116 HE2 LYS 18 HE2 LYS 18 -0.048 -7.751 3.005
117 HE3 LYS 18 HE1 LYS 18 -1.588 -8.566 3.241
118 HZ1 LYS 18 HZ1 LYS 18 -0.526 -10.664 2.701
119 HZ2 LYS 18 HZ2 LYS 18 0.216 -9.901 4.000
120 HZ3 LYS 18 HZ3 LYS 18 0.967 -9.886 2.505
121 H ASN 19 HN ASN 19 1.596 -3.775 -0.722
122 HA ASN 19 HA ASN 19 3.287 -3.111 1.575
123 HB2 ASN 19 HB2 ASN 19 4.714 -3.636 -0.335
124 HB3 ASN 19 HB1 ASN 19 3.827 -2.491 -1.340
125 HD21 ASN 19 HD21 ASN 19 5.632 -1.181 -1.767
126 HD22 ASN 19 HD22 ASN 19 6.308 -0.177 -0.547
127 H CYS 20 HN CYS 20 2.606 -1.484 2.630
128 HA CYS 20 HA CYS 20 1.228 0.723 1.280
129 HB2 CYS 20 HB2 CYS 20 -0.225 -0.485 2.867
130 HB3 CYS 20 HB1 CYS 20 0.989 -0.325 4.130
131 H GLY 21 HN GLY 21 2.620 2.397 1.141
132 HA2 GLY 21 HA2 GLY 21 5.079 2.301 2.673
133 HA3 GLY 21 HA1 GLY 21 4.664 3.456 1.418
134 H TRP 22 HN TRP 22 5.911 4.539 3.544
135 HA TRP 22 HA TRP 22 4.003 5.401 5.435
136 HB2 TRP 22 HB2 TRP 22 5.740 6.881 6.225
137 HB3 TRP 22 HB1 TRP 22 6.343 5.263 6.236
138 HD1 TRP 22 HD1 TRP 22 7.887 4.912 3.621
139 HE1 TRP 22 HE1 TRP 22 9.737 6.533 2.875
140 HE3 TRP 22 HE3 TRP 22 6.578 8.827 6.441
141 HZ2 TRP 22 HZ2 TRP 22 10.551 9.202 3.458
142 HZ3 TRP 22 HZ3 TRP 22 7.925 10.945 6.351
143 HH2 TRP 22 HH2 TRP 22 9.883 11.098 4.876
144 H ASN 23 HN ASN 23 4.461 6.104 2.308
145 HA ASN 23 HA ASN 23 3.600 8.865 2.326
146 HB2 ASN 23 HB2 ASN 23 3.385 8.584 -0.117
147 HB3 ASN 23 HB1 ASN 23 4.940 7.968 0.405
148 HD21 ASN 23 HD21 ASN 23 3.695 7.332 -2.025
149 HD22 ASN 23 HD22 ASN 23 3.342 5.640 -2.041
150 H PHE 24 HN PHE 24 2.311 5.876 2.897
151 HA PHE 24 HA PHE 24 0.380 4.967 3.215
152 HB2 PHE 24 HB2 PHE 24 -0.389 7.824 3.600
153 HB3 PHE 24 HB1 PHE 24 -1.619 6.563 3.683
154 HD1 PHE 24 HD1 PHE 24 1.573 7.722 5.174
155 HD2 PHE 24 HD2 PHE 24 -1.834 5.211 5.568
156 HE1 PHE 24 HE1 PHE 24 2.208 7.244 7.494
157 HE2 PHE 24 HE2 PHE 24 -1.209 4.724 7.901
158 HZ PHE 24 HZ PHE 24 0.820 5.739 8.865
159 H LYS 25 HN LYS 25 1.186 4.982 0.748
160 HA LYS 25 HA LYS 25 -1.373 4.735 -0.612
161 HB2 LYS 25 HB2 LYS 25 1.258 5.597 -1.789
162 HB3 LYS 25 HB1 LYS 25 -0.179 5.201 -2.722
163 HG2 LYS 25 HG2 LYS 25 -1.353 7.087 -1.693
164 HG3 LYS 25 HG1 LYS 25 0.080 7.450 -0.733
165 HD2 LYS 25 HD2 LYS 25 -0.014 8.944 -2.625
166 HD3 LYS 25 HD1 LYS 25 1.337 7.826 -2.818
167 HE2 LYS 25 HE2 LYS 25 0.049 6.493 -4.374
168 HE3 LYS 25 HE1 LYS 25 -1.370 7.503 -4.111
169 HZ1 LYS 25 HZ1 LYS 25 1.189 8.338 -5.347
170 HZ2 LYS 25 HZ2 LYS 25 -0.094 9.368 -5.003
171 HZ3 LYS 25 HZ3 LYS 25 -0.294 8.131 -6.130
172 H CYS 26 HN CYS 26 -1.477 2.889 -1.892
173 HA CYS 26 HA CYS 26 0.200 0.762 -1.033
174 HB2 CYS 26 HB2 CYS 26 -1.930 0.955 -3.142
175 HB3 CYS 26 HB1 CYS 26 -1.125 -0.564 -2.727
176 H ASN 27 HN ASN 27 2.100 0.349 -1.770
177 HA ASN 27 HA ASN 27 2.929 1.445 -4.384
178 HB2 ASN 27 HB2 ASN 27 4.629 0.934 -1.918
179 HB3 ASN 27 HB1 ASN 27 5.195 1.615 -3.431
180 HD21 ASN 27 HD21 ASN 27 5.395 2.663 -0.782
181 HD22 ASN 27 HD22 ASN 27 4.574 4.183 -0.743
182 HA HYP 28 HA HYP 28 4.267 -2.856 -5.193
183 HB2 HYP 28 HB1 HYP 28 5.272 -2.676 -7.285
184 HB3 HYP 28 HB2 HYP 28 6.632 -1.781 -6.598
185 HG HYP 28 HG HYP 28 5.583 -0.127 -7.910
186 HD22 HYP 28 HD11 HYP 28 4.008 1.010 -6.086
187 HD23 HYP 28 HD12 HYP 28 5.718 0.756 -5.666
188 HD1 HYP 28 HD2 HYP 28 3.228 0.056 -7.581
189 HA HYP 29 HA HYP 29 7.334 -3.712 -2.124
190 HB2 HYP 29 HB1 HYP 29 7.888 -5.917 -2.404
191 HB3 HYP 29 HB2 HYP 29 8.933 -5.518 -3.773
192 HG HYP 29 HG HYP 29 7.210 -6.707 -4.855
193 HD22 HYP 29 HD11 HYP 29 5.540 -4.740 -5.522
194 HD23 HYP 29 HD12 HYP 29 7.265 -4.515 -5.895
195 HD1 HYP 29 HD2 HYP 29 5.014 -5.784 -4.069
196 H ASN 30 HN ASN 30 8.735 -2.181 -1.656
197 HA ASN 30 HA ASN 30 11.166 -1.839 -3.167
198 HB2 ASN 30 HB2 ASN 30 9.577 -0.401 -4.436
199 HB3 ASN 30 HB1 ASN 30 9.263 0.498 -2.954
200 HD21 ASN 30 HD21 ASN 30 10.015 2.438 -3.788
201 HD22 ASN 30 HD22 ASN 30 11.683 2.745 -4.056
202 H GLN 31 HN GLN 31 9.039 -0.673 -0.590
203 HA GLN 31 HA GLN 31 11.163 0.587 0.862
204 HB2 GLN 31 HB2 GLN 31 8.336 -0.126 1.690
205 HB3 GLN 31 HB1 GLN 31 9.471 0.685 2.741
206 HG2 GLN 31 HG2 GLN 31 7.948 2.304 1.879
207 HG3 GLN 31 HG1 GLN 31 9.506 2.584 1.121
208 HE21 GLN 31 HE21 GLN 31 9.687 2.294 -1.059
209 HE22 GLN 31 HE22 GLN 31 8.323 2.067 -2.101
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -10.244 -8.908 -3.423
2 H2 GLY 1 HT2 GLY 1 -11.909 -8.856 -3.692
3 H3 GLY 1 HT3 GLY 1 -11.295 -8.705 -2.119
4 HA2 GLY 1 HA1 GLY 1 -10.888 -6.764 -4.304
5 HA3 GLY 1 HA2 GLY 1 -11.972 -6.577 -2.930
6 H CYS 2 HN CYS 2 -9.084 -5.616 -4.054
7 HA CYS 2 HA CYS 2 -8.062 -5.192 -1.354
8 HB2 CYS 2 HB2 CYS 2 -5.746 -5.460 -2.335
9 HB3 CYS 2 HB1 CYS 2 -6.681 -6.943 -2.201
10 H ILE 3 HN ILE 3 -6.463 -3.342 -1.330
11 HA ILE 3 HA ILE 3 -7.516 -1.183 -2.921
12 HB ILE 3 HB ILE 3 -5.181 -1.109 -0.970
13 HG12 ILE 3 HG12 ILE 3 -8.071 -0.393 -0.516
14 HG13 ILE 3 HG11 ILE 3 -7.284 -1.837 0.123
15 HG21 ILE 3 HG21 ILE 3 -6.900 1.095 -2.124
16 HG22 ILE 3 HG22 ILE 3 -5.220 0.755 -2.541
17 HG23 ILE 3 HG23 ILE 3 -5.630 1.311 -0.918
18 HD11 ILE 3 HD11 ILE 3 -7.474 -0.122 1.837
19 HD12 ILE 3 HD12 ILE 3 -6.607 1.018 0.809
20 HD13 ILE 3 HD13 ILE 3 -5.779 -0.408 1.436
21 H ALA 4 HN ALA 4 -6.772 -0.714 -4.804
22 HA ALA 4 HA ALA 4 -4.534 -1.970 -5.990
23 HB1 ALA 4 HB1 ALA 4 -4.959 -0.498 -7.901
24 HB2 ALA 4 HB2 ALA 4 -6.062 0.467 -6.922
25 HB3 ALA 4 HB3 ALA 4 -6.463 -1.207 -7.311
26 H THR 5 HN THR 5 -2.565 -1.041 -6.612
27 HA THR 5 HA THR 5 -1.543 0.619 -4.604
28 HB THR 5 HB THR 5 0.560 0.469 -5.796
29 HG1 THR 5 HG1 THR 5 -0.378 -1.512 -7.514
30 HG21 THR 5 HG21 THR 5 -0.947 -2.083 -5.343
31 HG22 THR 5 HG22 THR 5 0.023 -1.172 -4.186
32 HG23 THR 5 HG23 THR 5 0.799 -1.973 -5.547
33 H GLY 6 HN GLY 6 -0.810 2.674 -4.641
34 HA2 GLY 6 HA2 GLY 6 -0.505 4.796 -5.700
35 HA3 GLY 6 HA1 GLY 6 -1.668 4.302 -6.931
36 H SER 7 HN SER 7 -3.318 3.089 -4.725
37 HA SER 7 HA SER 7 -4.757 5.498 -4.069
38 HB2 SER 7 HB2 SER 7 -5.451 2.581 -3.690
39 HB3 SER 7 HB1 SER 7 -6.558 3.940 -3.479
40 HG SER 7 HG SER 7 -5.431 4.214 -5.828
41 H PHE 8 HN PHE 8 -5.549 5.788 -1.899
42 HA PHE 8 HA PHE 8 -3.521 5.763 0.066
43 HB2 PHE 8 HB2 PHE 8 -5.262 7.489 -0.102
44 HB3 PHE 8 HB1 PHE 8 -6.493 6.299 0.270
45 HD1 PHE 8 HD1 PHE 8 -6.930 5.649 2.538
46 HD2 PHE 8 HD2 PHE 8 -3.704 8.269 1.628
47 HE1 PHE 8 HE1 PHE 8 -6.731 6.226 4.913
48 HE2 PHE 8 HE2 PHE 8 -3.500 8.840 4.005
49 HZ PHE 8 HZ PHE 8 -5.012 7.823 5.649
50 H CYS 9 HN CYS 9 -3.171 4.413 1.765
51 HA CYS 9 HA CYS 9 -4.904 2.019 1.998
52 HB2 CYS 9 HB2 CYS 9 -3.035 0.697 2.353
53 HB3 CYS 9 HB1 CYS 9 -2.348 1.880 1.245
54 H THR 10 HN THR 10 -5.139 1.259 4.203
55 HA THR 10 HA THR 10 -4.211 3.206 6.138
56 HB THR 10 HB THR 10 -6.001 2.306 7.685
57 HG1 THR 10 HG1 THR 10 -7.273 0.790 7.040
58 HG21 THR 10 HG21 THR 10 -6.254 4.378 6.374
59 HG22 THR 10 HG22 THR 10 -7.803 3.558 6.604
60 HG23 THR 10 HG23 THR 10 -6.958 3.448 5.057
61 H LEU 11 HN LEU 11 -4.138 -0.058 5.111
62 HA LEU 11 HA LEU 11 -1.989 -0.635 6.974
63 HB2 LEU 11 HB2 LEU 11 -4.338 -2.450 6.354
64 HB3 LEU 11 HB1 LEU 11 -2.900 -2.944 7.213
65 HG LEU 11 HG LEU 11 -4.902 -0.909 8.210
66 HD11 LEU 11 HD11 LEU 11 -4.437 -3.775 9.018
67 HD12 LEU 11 HD12 LEU 11 -5.828 -3.160 8.128
68 HD13 LEU 11 HD13 LEU 11 -5.551 -2.649 9.794
69 HD21 LEU 11 HD21 LEU 11 -2.536 -2.203 9.574
70 HD22 LEU 11 HD22 LEU 11 -3.704 -1.125 10.337
71 HD23 LEU 11 HD23 LEU 11 -2.642 -0.516 9.070
72 H SER 12 HN SER 12 -0.463 -2.065 5.978
73 HA SER 12 HA SER 12 -0.234 -1.884 3.195
74 HB2 SER 12 HB2 SER 12 1.548 -3.718 3.713
75 HB3 SER 12 HB1 SER 12 1.771 -2.063 4.279
76 HG SER 12 HG SER 12 2.054 -3.105 6.092
77 H LYS 13 HN LYS 13 -1.501 -4.347 5.288
78 HA LYS 13 HA LYS 13 -1.600 -6.377 3.328
79 HB2 LYS 13 HB2 LYS 13 -2.992 -7.631 4.948
80 HB3 LYS 13 HB1 LYS 13 -1.483 -7.043 5.601
81 HG2 LYS 13 HG2 LYS 13 -3.075 -6.753 7.303
82 HG3 LYS 13 HG1 LYS 13 -2.796 -5.150 6.639
83 HD2 LYS 13 HD2 LYS 13 -5.150 -5.444 7.048
84 HD3 LYS 13 HD1 LYS 13 -4.863 -5.379 5.313
85 HE2 LYS 13 HE2 LYS 13 -6.479 -7.137 5.877
86 HE3 LYS 13 HE1 LYS 13 -5.027 -7.821 5.171
87 HZ1 LYS 13 HZ1 LYS 13 -5.845 -9.056 7.123
88 HZ2 LYS 13 HZ2 LYS 13 -5.569 -7.706 8.095
89 HZ3 LYS 13 HZ3 LYS 13 -4.280 -8.491 7.353
90 H GLY 14 HN GLY 14 -3.505 -3.646 3.601
91 HA2 GLY 14 HA2 GLY 14 -5.913 -4.864 2.544
92 HA3 GLY 14 HA1 GLY 14 -5.628 -3.143 2.804
93 H CYS 15 HN CYS 15 -2.989 -3.605 1.435
94 HA CYS 15 HA CYS 15 -3.820 -2.710 -1.143
95 HB2 CYS 15 HB2 CYS 15 -1.099 -3.396 -0.070
96 HB3 CYS 15 HB1 CYS 15 -1.445 -2.450 -1.516
97 H CYS 16 HN CYS 16 -3.498 -3.742 -3.089
98 HA CYS 16 HA CYS 16 -3.733 -6.518 -3.203
99 HB2 CYS 16 HB2 CYS 16 -2.823 -4.620 -5.367
100 HB3 CYS 16 HB1 CYS 16 -3.393 -6.269 -5.625
101 H THR 17 HN THR 17 -0.790 -4.448 -3.472
102 HA THR 17 HA THR 17 0.918 -6.661 -4.026
103 HB THR 17 HB THR 17 2.628 -4.885 -3.486
104 HG1 THR 17 HG1 THR 17 1.846 -2.859 -3.071
105 HG21 THR 17 HG21 THR 17 1.878 -5.361 -5.763
106 HG22 THR 17 HG22 THR 17 2.098 -3.623 -5.548
107 HG23 THR 17 HG23 THR 17 0.478 -4.317 -5.535
108 H LYS 18 HN LYS 18 -0.693 -5.680 -1.283
109 HA LYS 18 HA LYS 18 -0.550 -5.957 0.937
110 HB2 LYS 18 HB2 LYS 18 1.645 -7.928 0.253
111 HB3 LYS 18 HB1 LYS 18 0.864 -7.787 1.819
112 HG2 LYS 18 HG2 LYS 18 -0.533 -8.529 -0.744
113 HG3 LYS 18 HG1 LYS 18 0.027 -9.676 0.473
114 HD2 LYS 18 HD2 LYS 18 -1.480 -8.677 2.117
115 HD3 LYS 18 HD1 LYS 18 -2.000 -7.484 0.930
116 HE2 LYS 18 HE2 LYS 18 -3.608 -9.319 1.175
117 HE3 LYS 18 HE1 LYS 18 -2.949 -9.208 -0.452
118 HZ1 LYS 18 HZ1 LYS 18 -3.091 -11.476 0.327
119 HZ2 LYS 18 HZ2 LYS 18 -2.059 -11.167 1.619
120 HZ3 LYS 18 HZ3 LYS 18 -1.491 -11.068 0.037
121 H ASN 19 HN ASN 19 1.220 -4.066 -0.569
122 HA ASN 19 HA ASN 19 3.070 -3.463 1.635
123 HB2 ASN 19 HB2 ASN 19 4.294 -4.422 -0.309
124 HB3 ASN 19 HB1 ASN 19 3.661 -3.117 -1.306
125 HD21 ASN 19 HD21 ASN 19 5.635 -2.178 -1.760
126 HD22 ASN 19 HD22 ASN 19 6.589 -1.398 -0.564
127 H CYS 20 HN CYS 20 2.899 -1.442 2.362
128 HA CYS 20 HA CYS 20 1.907 0.639 0.590
129 HB2 CYS 20 HB2 CYS 20 0.034 -0.102 2.096
130 HB3 CYS 20 HB1 CYS 20 1.064 0.241 3.476
131 H GLY 21 HN GLY 21 2.874 2.676 1.069
132 HA2 GLY 21 HA2 GLY 21 5.276 2.373 2.757
133 HA3 GLY 21 HA1 GLY 21 5.164 3.427 1.356
134 H TRP 22 HN TRP 22 6.118 4.872 3.146
135 HA TRP 22 HA TRP 22 4.503 5.845 5.233
136 HB2 TRP 22 HB2 TRP 22 6.139 7.505 5.496
137 HB3 TRP 22 HB1 TRP 22 7.041 6.075 5.135
138 HD1 TRP 22 HD1 TRP 22 7.448 6.064 2.091
139 HE1 TRP 22 HE1 TRP 22 8.486 8.042 0.825
140 HE3 TRP 22 HE3 TRP 22 6.657 9.605 5.527
141 HZ2 TRP 22 HZ2 TRP 22 8.932 10.809 1.263
142 HZ3 TRP 22 HZ3 TRP 22 7.415 11.964 5.086
143 HH2 TRP 22 HH2 TRP 22 8.534 12.522 2.982
144 H ASN 23 HN ASN 23 4.317 6.258 1.970
145 HA ASN 23 HA ASN 23 3.375 8.976 1.841
146 HB2 ASN 23 HB2 ASN 23 3.000 8.499 -0.542
147 HB3 ASN 23 HB1 ASN 23 4.605 7.969 -0.058
148 HD21 ASN 23 HD21 ASN 23 3.058 7.088 -2.337
149 HD22 ASN 23 HD22 ASN 23 2.814 5.391 -2.143
150 H PHE 24 HN PHE 24 2.093 6.196 3.005
151 HA PHE 24 HA PHE 24 0.063 5.495 3.632
152 HB2 PHE 24 HB2 PHE 24 -0.622 8.351 2.984
153 HB3 PHE 24 HB1 PHE 24 -1.883 7.213 3.437
154 HD1 PHE 24 HD1 PHE 24 -2.325 6.763 5.674
155 HD2 PHE 24 HD2 PHE 24 1.317 8.691 4.611
156 HE1 PHE 24 HE1 PHE 24 -1.848 7.162 8.048
157 HE2 PHE 24 HE2 PHE 24 1.798 9.098 6.991
158 HZ PHE 24 HZ PHE 24 0.209 8.330 8.714
159 H LYS 25 HN LYS 25 1.022 5.244 0.877
160 HA LYS 25 HA LYS 25 -1.556 4.570 -0.309
161 HB2 LYS 25 HB2 LYS 25 0.828 5.771 -1.704
162 HB3 LYS 25 HB1 LYS 25 -0.541 5.050 -2.533
163 HG2 LYS 25 HG2 LYS 25 -2.016 6.737 -1.616
164 HG3 LYS 25 HG1 LYS 25 -0.676 7.430 -0.695
165 HD2 LYS 25 HD2 LYS 25 0.493 7.950 -2.750
166 HD3 LYS 25 HD1 LYS 25 -0.789 7.186 -3.689
167 HE2 LYS 25 HE2 LYS 25 -2.373 8.844 -2.935
168 HE3 LYS 25 HE1 LYS 25 -1.157 9.583 -1.901
169 HZ1 LYS 25 HZ1 LYS 25 -1.447 10.764 -4.016
170 HZ2 LYS 25 HZ2 LYS 25 -0.977 9.379 -4.849
171 HZ3 LYS 25 HZ3 LYS 25 0.121 10.162 -3.846
172 H CYS 26 HN CYS 26 -1.583 2.753 -1.506
173 HA CYS 26 HA CYS 26 0.169 0.696 -0.722
174 HB2 CYS 26 HB2 CYS 26 -1.928 0.899 -2.851
175 HB3 CYS 26 HB1 CYS 26 -1.142 -0.624 -2.401
176 H ASN 27 HN ASN 27 1.931 -0.089 -1.699
177 HA ASN 27 HA ASN 27 2.768 1.199 -4.208
178 HB2 ASN 27 HB2 ASN 27 4.427 0.706 -1.728
179 HB3 ASN 27 HB1 ASN 27 5.085 1.224 -3.275
180 HD21 ASN 27 HD21 ASN 27 5.164 2.507 -0.685
181 HD22 ASN 27 HD22 ASN 27 4.424 4.059 -0.865
182 HA HYP 28 HA HYP 28 3.847 -2.814 -5.884
183 HB2 HYP 28 HB1 HYP 28 5.638 -2.466 -7.364
184 HB3 HYP 28 HB2 HYP 28 6.512 -1.447 -6.210
185 HG HYP 28 HG HYP 28 5.521 0.134 -7.681
186 HD22 HYP 28 HD11 HYP 28 3.169 0.469 -6.241
187 HD23 HYP 28 HD12 HYP 28 4.743 0.997 -5.622
188 HD1 HYP 28 HD2 HYP 28 3.398 -0.043 -8.286
189 HA HYP 29 HA HYP 29 5.499 -5.101 -2.473
190 HB2 HYP 29 HB1 HYP 29 4.944 -7.095 -3.434
191 HB3 HYP 29 HB2 HYP 29 6.634 -7.176 -3.944
192 HG HYP 29 HG HYP 29 5.826 -7.060 -6.101
193 HD22 HYP 29 HD11 HYP 29 4.755 -4.585 -6.441
194 HD23 HYP 29 HD12 HYP 29 6.494 -4.777 -6.124
195 HD1 HYP 29 HD2 HYP 29 3.645 -5.988 -6.247
196 H ASN 30 HN ASN 30 7.246 -4.483 -1.381
197 HA ASN 30 HA ASN 30 9.891 -4.768 -2.460
198 HB2 ASN 30 HB2 ASN 30 9.268 -2.501 -3.227
199 HB3 ASN 30 HB1 ASN 30 8.827 -2.069 -1.579
200 HD21 ASN 30 HD21 ASN 30 10.456 -1.663 -0.077
201 HD22 ASN 30 HD22 ASN 30 12.096 -1.428 -0.533
202 H GLN 31 HN GLN 31 10.911 -5.697 -0.859
203 HA GLN 31 HA GLN 31 10.019 -5.251 1.887
204 HB2 GLN 31 HB2 GLN 31 11.815 -7.385 0.711
205 HB3 GLN 31 HB1 GLN 31 11.346 -7.278 2.400
206 HG2 GLN 31 HG2 GLN 31 9.015 -7.630 1.780
207 HG3 GLN 31 HG1 GLN 31 9.476 -7.711 0.082
208 HE21 GLN 31 HE21 GLN 31 10.545 -9.534 -0.675
209 HE22 GLN 31 HE22 GLN 31 10.611 -10.993 0.234
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 -12.542 -6.445 -2.288
2 H2 GLY 1 HT2 GLY 1 -13.097 -6.530 -3.894
3 H3 GLY 1 HT3 GLY 1 -12.476 -5.088 -3.269
4 HA2 GLY 1 HA1 GLY 1 -10.892 -7.533 -3.614
5 HA3 GLY 1 HA2 GLY 1 -10.871 -6.140 -4.691
6 H CYS 2 HN CYS 2 -8.585 -6.092 -4.109
7 HA CYS 2 HA CYS 2 -7.953 -5.233 -1.405
8 HB2 CYS 2 HB2 CYS 2 -5.597 -5.345 -2.330
9 HB3 CYS 2 HB1 CYS 2 -6.482 -6.867 -2.273
10 H ILE 3 HN ILE 3 -6.364 -3.384 -1.208
11 HA ILE 3 HA ILE 3 -7.410 -1.095 -2.573
12 HB ILE 3 HB ILE 3 -5.002 -1.270 -0.713
13 HG12 ILE 3 HG12 ILE 3 -7.853 -0.495 -0.093
14 HG13 ILE 3 HG11 ILE 3 -7.097 -2.019 0.359
15 HG21 ILE 3 HG21 ILE 3 -6.628 1.093 -1.646
16 HG22 ILE 3 HG22 ILE 3 -4.955 0.721 -2.074
17 HG23 ILE 3 HG23 ILE 3 -5.368 1.148 -0.414
18 HD11 ILE 3 HD11 ILE 3 -5.514 -0.821 1.775
19 HD12 ILE 3 HD12 ILE 3 -7.181 -0.475 2.237
20 HD13 ILE 3 HD13 ILE 3 -6.258 0.711 1.312
21 H ALA 4 HN ALA 4 -6.783 -0.497 -4.455
22 HA ALA 4 HA ALA 4 -4.755 -1.754 -5.945
23 HB1 ALA 4 HB1 ALA 4 -6.726 -0.735 -6.980
24 HB2 ALA 4 HB2 ALA 4 -5.234 -0.081 -7.657
25 HB3 ALA 4 HB3 ALA 4 -6.156 0.861 -6.489
26 H THR 5 HN THR 5 -2.828 -0.759 -6.853
27 HA THR 5 HA THR 5 -1.561 0.616 -4.740
28 HB THR 5 HB THR 5 0.508 0.357 -5.984
29 HG1 THR 5 HG1 THR 5 0.136 0.135 -8.096
30 HG21 THR 5 HG21 THR 5 -0.196 -1.324 -4.431
31 HG22 THR 5 HG22 THR 5 0.604 -2.087 -5.802
32 HG23 THR 5 HG23 THR 5 -1.156 -2.122 -5.676
33 H GLY 6 HN GLY 6 -0.728 2.589 -4.682
34 HA2 GLY 6 HA2 GLY 6 -0.489 4.796 -5.468
35 HA3 GLY 6 HA1 GLY 6 -1.548 4.404 -6.821
36 H SER 7 HN SER 7 -3.198 2.986 -4.498
37 HA SER 7 HA SER 7 -4.866 5.308 -3.989
38 HB2 SER 7 HB2 SER 7 -5.284 2.381 -3.359
39 HB3 SER 7 HB1 SER 7 -6.500 3.644 -3.211
40 HG SER 7 HG SER 7 -5.208 3.296 -5.669
41 H PHE 8 HN PHE 8 -5.654 5.682 -1.794
42 HA PHE 8 HA PHE 8 -3.533 5.831 0.093
43 HB2 PHE 8 HB2 PHE 8 -5.282 7.554 -0.076
44 HB3 PHE 8 HB1 PHE 8 -6.491 6.382 0.424
45 HD1 PHE 8 HD1 PHE 8 -6.751 5.792 2.732
46 HD2 PHE 8 HD2 PHE 8 -3.649 8.426 1.525
47 HE1 PHE 8 HE1 PHE 8 -6.391 6.434 5.079
48 HE2 PHE 8 HE2 PHE 8 -3.281 9.069 3.872
49 HZ PHE 8 HZ PHE 8 -4.649 8.077 5.647
50 H CYS 9 HN CYS 9 -3.026 4.553 1.723
51 HA CYS 9 HA CYS 9 -4.869 2.373 2.426
52 HB2 CYS 9 HB2 CYS 9 -2.863 0.923 2.672
53 HB3 CYS 9 HB1 CYS 9 -3.261 1.386 1.021
54 H THR 10 HN THR 10 -5.136 1.973 4.522
55 HA THR 10 HA THR 10 -3.053 2.860 6.353
56 HB THR 10 HB THR 10 -4.987 2.711 8.110
57 HG1 THR 10 HG1 THR 10 -6.447 1.868 6.348
58 HG21 THR 10 HG21 THR 10 -4.890 4.964 6.094
59 HG22 THR 10 HG22 THR 10 -3.855 4.798 7.512
60 HG23 THR 10 HG23 THR 10 -5.585 5.067 7.712
61 H LEU 11 HN LEU 11 -4.313 0.296 4.834
62 HA LEU 11 HA LEU 11 -3.393 -1.598 6.873
63 HB2 LEU 11 HB2 LEU 11 -5.686 -1.924 4.921
64 HB3 LEU 11 HB1 LEU 11 -5.065 -3.206 5.930
65 HG LEU 11 HG LEU 11 -6.437 -0.702 6.920
66 HD11 LEU 11 HD11 LEU 11 -8.255 -2.214 7.527
67 HD12 LEU 11 HD12 LEU 11 -7.388 -3.557 6.782
68 HD13 LEU 11 HD13 LEU 11 -7.963 -2.217 5.788
69 HD21 LEU 11 HD21 LEU 11 -6.427 -1.827 9.103
70 HD22 LEU 11 HD22 LEU 11 -4.795 -1.509 8.528
71 HD23 LEU 11 HD23 LEU 11 -5.463 -3.138 8.421
72 H SER 12 HN SER 12 -1.490 -2.382 6.102
73 HA SER 12 HA SER 12 -0.676 -2.109 3.448
74 HB2 SER 12 HB2 SER 12 1.194 -3.635 4.338
75 HB3 SER 12 HB1 SER 12 0.990 -2.033 5.057
76 HG SER 12 HG SER 12 1.147 -3.415 6.719
77 H LYS 13 HN LYS 13 -2.024 -4.798 5.221
78 HA LYS 13 HA LYS 13 -1.587 -6.644 3.059
79 HB2 LYS 13 HB2 LYS 13 -3.165 -6.869 5.621
80 HB3 LYS 13 HB1 LYS 13 -3.089 -8.156 4.426
81 HG2 LYS 13 HG2 LYS 13 -1.479 -8.683 6.053
82 HG3 LYS 13 HG1 LYS 13 -0.675 -8.047 4.592
83 HD2 LYS 13 HD2 LYS 13 -0.367 -5.895 5.665
84 HD3 LYS 13 HD1 LYS 13 -1.171 -6.477 7.115
85 HE2 LYS 13 HE2 LYS 13 1.368 -7.653 5.989
86 HE3 LYS 13 HE1 LYS 13 1.321 -6.452 7.273
87 HZ1 LYS 13 HZ1 LYS 13 0.142 -9.182 7.409
88 HZ2 LYS 13 HZ2 LYS 13 0.060 -8.005 8.617
89 HZ3 LYS 13 HZ3 LYS 13 1.543 -8.654 8.191
90 H GLY 14 HN GLY 14 -3.631 -4.367 3.813
91 HA2 GLY 14 HA2 GLY 14 -6.007 -5.207 2.390
92 HA3 GLY 14 HA1 GLY 14 -5.648 -3.539 2.852
93 H CYS 15 HN CYS 15 -3.079 -3.493 1.635
94 HA CYS 15 HA CYS 15 -3.667 -2.668 -1.007
95 HB2 CYS 15 HB2 CYS 15 -1.045 -3.380 0.278
96 HB3 CYS 15 HB1 CYS 15 -1.214 -2.573 -1.274
97 H CYS 16 HN CYS 16 -3.405 -3.667 -2.913
98 HA CYS 16 HA CYS 16 -3.593 -6.413 -3.121
99 HB2 CYS 16 HB2 CYS 16 -2.540 -4.477 -5.182
100 HB3 CYS 16 HB1 CYS 16 -3.120 -6.110 -5.497
101 H THR 17 HN THR 17 -0.653 -4.351 -3.317
102 HA THR 17 HA THR 17 1.064 -6.563 -3.865
103 HB THR 17 HB THR 17 2.746 -4.704 -3.491
104 HG1 THR 17 HG1 THR 17 1.968 -2.738 -3.106
105 HG21 THR 17 HG21 THR 17 0.541 -4.428 -5.538
106 HG22 THR 17 HG22 THR 17 2.035 -5.356 -5.736
107 HG23 THR 17 HG23 THR 17 2.082 -3.593 -5.622
108 H LYS 18 HN LYS 18 -0.474 -5.684 -1.098
109 HA LYS 18 HA LYS 18 -0.241 -5.928 1.122
110 HB2 LYS 18 HB2 LYS 18 2.211 -7.633 0.604
111 HB3 LYS 18 HB1 LYS 18 1.145 -7.695 1.995
112 HG2 LYS 18 HG2 LYS 18 0.520 -8.556 -0.815
113 HG3 LYS 18 HG1 LYS 18 0.754 -9.610 0.580
114 HD2 LYS 18 HD2 LYS 18 -1.276 -8.674 1.591
115 HD3 LYS 18 HD1 LYS 18 -1.475 -7.608 0.198
116 HE2 LYS 18 HE2 LYS 18 -1.534 -10.626 0.166
117 HE3 LYS 18 HE1 LYS 18 -2.925 -9.559 -0.002
118 HZ1 LYS 18 HZ1 LYS 18 -2.273 -10.326 -2.158
119 HZ2 LYS 18 HZ2 LYS 18 -0.677 -9.899 -1.927
120 HZ3 LYS 18 HZ3 LYS 18 -1.835 -8.704 -2.097
121 H ASN 19 HN ASN 19 1.451 -3.946 -0.444
122 HA ASN 19 HA ASN 19 3.274 -3.190 1.737
123 HB2 ASN 19 HB2 ASN 19 4.615 -3.988 -0.130
124 HB3 ASN 19 HB1 ASN 19 3.737 -2.951 -1.246
125 HD21 ASN 19 HD21 ASN 19 5.703 -1.959 -1.910
126 HD22 ASN 19 HD22 ASN 19 6.496 -0.829 -0.886
127 H CYS 20 HN CYS 20 2.367 -1.530 2.705
128 HA CYS 20 HA CYS 20 1.073 0.542 1.100
129 HB2 CYS 20 HB2 CYS 20 -0.265 -0.338 2.947
130 HB3 CYS 20 HB1 CYS 20 1.028 0.019 4.097
131 H GLY 21 HN GLY 21 2.184 2.382 0.758
132 HA2 GLY 21 HA2 GLY 21 4.878 2.427 1.748
133 HA3 GLY 21 HA1 GLY 21 4.182 3.506 0.554
134 H TRP 22 HN TRP 22 5.864 4.350 2.498
135 HA TRP 22 HA TRP 22 4.855 5.427 4.816
136 HB2 TRP 22 HB2 TRP 22 6.682 7.063 4.535
137 HB3 TRP 22 HB1 TRP 22 7.275 5.445 4.445
138 HD1 TRP 22 HD1 TRP 22 7.623 4.610 1.642
139 HE1 TRP 22 HE1 TRP 22 8.567 6.066 -0.257
140 HE3 TRP 22 HE3 TRP 22 6.992 9.004 3.792
141 HZ2 TRP 22 HZ2 TRP 22 9.012 8.834 -0.748
142 HZ3 TRP 22 HZ3 TRP 22 7.694 11.137 2.598
143 HH2 TRP 22 HH2 TRP 22 8.688 11.003 0.369
144 H ASN 23 HN ASN 23 4.373 6.401 1.552
145 HA ASN 23 HA ASN 23 3.605 9.116 2.138
146 HB2 ASN 23 HB2 ASN 23 3.105 9.290 -0.237
147 HB3 ASN 23 HB1 ASN 23 4.672 8.526 -0.020
148 HD21 ASN 23 HD21 ASN 23 2.784 8.459 -2.250
149 HD22 ASN 23 HD22 ASN 23 2.468 6.794 -2.561
150 H PHE 24 HN PHE 24 2.198 6.233 2.676
151 HA PHE 24 HA PHE 24 0.219 5.572 3.378
152 HB2 PHE 24 HB2 PHE 24 -0.635 8.415 2.859
153 HB3 PHE 24 HB1 PHE 24 -1.776 7.183 3.376
154 HD1 PHE 24 HD1 PHE 24 1.099 9.231 4.360
155 HD2 PHE 24 HD2 PHE 24 -1.733 6.315 5.606
156 HE1 PHE 24 HE1 PHE 24 1.707 9.643 6.710
157 HE2 PHE 24 HE2 PHE 24 -1.134 6.724 7.950
158 HZ PHE 24 HZ PHE 24 0.590 8.393 8.506
159 H LYS 25 HN LYS 25 1.152 5.563 0.532
160 HA LYS 25 HA LYS 25 -1.411 4.584 -0.437
161 HB2 LYS 25 HB2 LYS 25 0.639 6.020 -2.129
162 HB3 LYS 25 HB1 LYS 25 -0.713 5.118 -2.799
163 HG2 LYS 25 HG2 LYS 25 -1.507 7.274 -2.865
164 HG3 LYS 25 HG1 LYS 25 -2.131 6.727 -1.321
165 HD2 LYS 25 HD2 LYS 25 -0.162 7.718 -0.204
166 HD3 LYS 25 HD1 LYS 25 0.349 8.374 -1.756
167 HE2 LYS 25 HE2 LYS 25 -1.748 9.641 -1.884
168 HE3 LYS 25 HE1 LYS 25 -2.215 8.990 -0.309
169 HZ1 LYS 25 HZ1 LYS 25 -0.195 10.017 0.616
170 HZ2 LYS 25 HZ2 LYS 25 -1.271 11.143 0.003
171 HZ3 LYS 25 HZ3 LYS 25 0.108 10.752 -0.873
172 H CYS 26 HN CYS 26 -1.370 2.740 -1.639
173 HA CYS 26 HA CYS 26 0.536 0.848 -0.801
174 HB2 CYS 26 HB2 CYS 26 -1.532 0.735 -2.953
175 HB3 CYS 26 HB1 CYS 26 -0.689 -0.698 -2.342
176 H ASN 27 HN ASN 27 2.310 0.030 -1.716
177 HA ASN 27 HA ASN 27 3.173 1.138 -4.294
178 HB2 ASN 27 HB2 ASN 27 4.671 0.899 -1.703
179 HB3 ASN 27 HB1 ASN 27 5.558 0.769 -3.212
180 HD21 ASN 27 HD21 ASN 27 3.767 2.902 -1.128
181 HD22 ASN 27 HD22 ASN 27 4.245 4.363 -1.900
182 HA HYP 28 HA HYP 28 3.942 -3.060 -5.541
183 HB2 HYP 28 HB1 HYP 28 5.125 -2.911 -7.518
184 HB3 HYP 28 HB2 HYP 28 6.511 -2.148 -6.729
185 HG HYP 28 HG HYP 28 5.493 -0.381 -7.983
186 HD22 HYP 28 HD11 HYP 28 4.176 0.762 -5.991
187 HD23 HYP 28 HD12 HYP 28 5.875 0.321 -5.694
188 HD1 HYP 28 HD2 HYP 28 3.186 -0.055 -7.507
189 HA HYP 29 HA HYP 29 6.742 -4.972 -2.729
190 HB2 HYP 29 HB1 HYP 29 6.194 -7.142 -3.118
191 HB3 HYP 29 HB2 HYP 29 7.372 -7.201 -4.434
192 HG HYP 29 HG HYP 29 5.418 -7.486 -5.693
193 HD22 HYP 29 HD11 HYP 29 4.579 -4.998 -6.124
194 HD23 HYP 29 HD12 HYP 29 6.289 -5.362 -6.484
195 HD1 HYP 29 HD2 HYP 29 4.204 -5.777 -3.900
196 H ASN 30 HN ASN 30 8.548 -3.686 -2.663
197 HA ASN 30 HA ASN 30 10.644 -4.217 -4.645
198 HB2 ASN 30 HB2 ASN 30 11.596 -2.025 -4.131
199 HB3 ASN 30 HB1 ASN 30 9.913 -1.852 -4.595
200 HD21 ASN 30 HD21 ASN 30 11.600 -0.042 -3.102
201 HD22 ASN 30 HD22 ASN 30 10.840 0.201 -1.575
202 H GLN 31 HN GLN 31 9.719 -4.853 -1.526
203 HA GLN 31 HA GLN 31 12.448 -5.167 -0.599
204 HB2 GLN 31 HB2 GLN 31 9.834 -5.454 0.898
205 HB3 GLN 31 HB1 GLN 31 11.429 -5.625 1.608
206 HG2 GLN 31 HG2 GLN 31 10.246 -3.121 0.422
207 HG3 GLN 31 HG1 GLN 31 10.517 -3.454 2.129
208 HE21 GLN 31 HE21 GLN 31 13.151 -4.692 1.580
209 HE22 GLN 31 HE22 GLN 31 14.206 -3.367 1.222
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 -12.446 -6.340 -5.193
2 H2 GLY 1 HT2 GLY 1 -11.080 -5.335 -5.150
3 H3 GLY 1 HT3 GLY 1 -12.263 -5.181 -3.977
4 HA2 GLY 1 HA1 GLY 1 -11.764 -7.342 -3.108
5 HA3 GLY 1 HA2 GLY 1 -10.511 -7.509 -4.335
6 H CYS 2 HN CYS 2 -8.642 -6.270 -4.174
7 HA CYS 2 HA CYS 2 -8.052 -5.409 -1.447
8 HB2 CYS 2 HB2 CYS 2 -5.683 -5.548 -2.347
9 HB3 CYS 2 HB1 CYS 2 -6.573 -7.068 -2.260
10 H ILE 3 HN ILE 3 -6.451 -3.475 -1.331
11 HA ILE 3 HA ILE 3 -7.628 -1.311 -2.809
12 HB ILE 3 HB ILE 3 -5.220 -1.218 -0.940
13 HG12 ILE 3 HG12 ILE 3 -8.132 -0.646 -0.343
14 HG13 ILE 3 HG11 ILE 3 -7.264 -2.086 0.179
15 HG21 ILE 3 HG21 ILE 3 -5.757 1.178 -0.762
16 HG22 ILE 3 HG22 ILE 3 -7.058 0.969 -1.935
17 HG23 ILE 3 HG23 ILE 3 -5.381 0.712 -2.422
18 HD11 ILE 3 HD11 ILE 3 -5.784 -0.695 1.543
19 HD12 ILE 3 HD12 ILE 3 -7.475 -0.458 1.984
20 HD13 ILE 3 HD13 ILE 3 -6.641 0.746 1.003
21 H ALA 4 HN ALA 4 -6.983 -0.584 -4.672
22 HA ALA 4 HA ALA 4 -4.970 -1.818 -6.194
23 HB1 ALA 4 HB1 ALA 4 -5.462 -0.125 -7.880
24 HB2 ALA 4 HB2 ALA 4 -6.340 0.827 -6.687
25 HB3 ALA 4 HB3 ALA 4 -6.957 -0.750 -7.182
26 H THR 5 HN THR 5 -3.050 -0.814 -7.108
27 HA THR 5 HA THR 5 -1.641 0.431 -4.992
28 HB THR 5 HB THR 5 0.311 0.276 -6.330
29 HG1 THR 5 HG1 THR 5 -1.259 -0.967 -8.379
30 HG21 THR 5 HG21 THR 5 -0.358 -1.694 -5.158
31 HG22 THR 5 HG22 THR 5 0.341 -2.170 -6.707
32 HG23 THR 5 HG23 THR 5 -1.409 -2.181 -6.485
33 H GLY 6 HN GLY 6 -0.644 2.437 -5.004
34 HA2 GLY 6 HA2 GLY 6 -0.398 4.648 -5.677
35 HA3 GLY 6 HA1 GLY 6 -1.523 4.351 -7.001
36 H SER 7 HN SER 7 -3.285 2.982 -4.862
37 HA SER 7 HA SER 7 -4.799 5.362 -4.303
38 HB2 SER 7 HB2 SER 7 -5.405 2.470 -3.665
39 HB3 SER 7 HB1 SER 7 -6.547 3.817 -3.634
40 HG SER 7 HG SER 7 -5.185 3.521 -6.011
41 H PHE 8 HN PHE 8 -5.735 5.649 -2.103
42 HA PHE 8 HA PHE 8 -3.656 5.844 -0.171
43 HB2 PHE 8 HB2 PHE 8 -5.430 7.545 -0.383
44 HB3 PHE 8 HB1 PHE 8 -6.631 6.357 0.088
45 HD1 PHE 8 HD1 PHE 8 -3.646 8.183 1.309
46 HD2 PHE 8 HD2 PHE 8 -7.147 6.012 2.367
47 HE1 PHE 8 HE1 PHE 8 -3.336 8.835 3.651
48 HE2 PHE 8 HE2 PHE 8 -6.828 6.662 4.725
49 HZ PHE 8 HZ PHE 8 -4.927 8.074 5.364
50 H CYS 9 HN CYS 9 -3.188 4.586 1.498
51 HA CYS 9 HA CYS 9 -5.098 2.553 2.382
52 HB2 CYS 9 HB2 CYS 9 -3.233 0.927 2.532
53 HB3 CYS 9 HB1 CYS 9 -3.633 1.380 0.877
54 H THR 10 HN THR 10 -4.823 1.955 4.534
55 HA THR 10 HA THR 10 -2.938 3.612 6.010
56 HB THR 10 HB THR 10 -4.465 2.946 7.994
57 HG1 THR 10 HG1 THR 10 -6.327 2.051 7.529
58 HG21 THR 10 HG21 THR 10 -5.439 4.809 5.816
59 HG22 THR 10 HG22 THR 10 -4.318 5.223 7.111
60 HG23 THR 10 HG23 THR 10 -5.995 4.825 7.489
61 H LEU 11 HN LEU 11 -4.070 0.310 5.540
62 HA LEU 11 HA LEU 11 -1.781 -0.593 7.124
63 HB2 LEU 11 HB2 LEU 11 -4.484 -1.912 6.856
64 HB3 LEU 11 HB1 LEU 11 -3.112 -2.600 7.697
65 HG LEU 11 HG LEU 11 -4.574 -0.079 8.501
66 HD11 LEU 11 HD11 LEU 11 -5.896 -2.097 8.864
67 HD12 LEU 11 HD12 LEU 11 -5.379 -1.371 10.384
68 HD13 LEU 11 HD13 LEU 11 -4.560 -2.808 9.774
69 HD21 LEU 11 HD21 LEU 11 -3.231 -0.217 10.552
70 HD22 LEU 11 HD22 LEU 11 -2.224 0.022 9.127
71 HD23 LEU 11 HD23 LEU 11 -2.336 -1.574 9.871
72 H SER 12 HN SER 12 -0.484 -2.080 6.208
73 HA SER 12 HA SER 12 -0.268 -2.082 3.476
74 HB2 SER 12 HB2 SER 12 1.508 -3.843 3.995
75 HB3 SER 12 HB1 SER 12 1.683 -2.235 4.702
76 HG SER 12 HG SER 12 1.995 -4.094 6.101
77 H LYS 13 HN LYS 13 -1.602 -4.633 5.516
78 HA LYS 13 HA LYS 13 -1.564 -6.600 3.509
79 HB2 LYS 13 HB2 LYS 13 -2.791 -8.011 4.927
80 HB3 LYS 13 HB1 LYS 13 -1.819 -7.023 5.990
81 HG2 LYS 13 HG2 LYS 13 -4.762 -6.651 5.432
82 HG3 LYS 13 HG1 LYS 13 -4.073 -7.417 6.857
83 HD2 LYS 13 HD2 LYS 13 -2.984 -5.249 7.411
84 HD3 LYS 13 HD1 LYS 13 -3.803 -4.533 6.023
85 HE2 LYS 13 HE2 LYS 13 -5.156 -5.826 8.388
86 HE3 LYS 13 HE1 LYS 13 -4.998 -4.093 8.116
87 HZ1 LYS 13 HZ1 LYS 13 -7.169 -4.882 7.455
88 HZ2 LYS 13 HZ2 LYS 13 -6.519 -5.990 6.390
89 HZ3 LYS 13 HZ3 LYS 13 -6.355 -4.354 6.091
90 H GLY 14 HN GLY 14 -3.572 -3.911 3.758
91 HA2 GLY 14 HA2 GLY 14 -5.895 -5.085 2.505
92 HA3 GLY 14 HA1 GLY 14 -5.639 -3.379 2.843
93 H CYS 15 HN CYS 15 -2.960 -3.632 1.507
94 HA CYS 15 HA CYS 15 -3.827 -2.733 -1.057
95 HB2 CYS 15 HB2 CYS 15 -1.099 -3.309 0.044
96 HB3 CYS 15 HB1 CYS 15 -1.394 -2.555 -1.521
97 H CYS 16 HN CYS 16 -3.477 -3.649 -3.065
98 HA CYS 16 HA CYS 16 -3.620 -6.438 -3.297
99 HB2 CYS 16 HB2 CYS 16 -2.847 -4.388 -5.367
100 HB3 CYS 16 HB1 CYS 16 -3.274 -6.062 -5.714
101 H THR 17 HN THR 17 -0.818 -4.246 -3.344
102 HA THR 17 HA THR 17 0.958 -6.364 -4.053
103 HB THR 17 HB THR 17 2.604 -4.494 -3.484
104 HG1 THR 17 HG1 THR 17 1.757 -2.512 -3.186
105 HG21 THR 17 HG21 THR 17 2.061 -5.077 -5.771
106 HG22 THR 17 HG22 THR 17 2.022 -3.306 -5.604
107 HG23 THR 17 HG23 THR 17 0.524 -4.222 -5.643
108 H LYS 18 HN LYS 18 -0.641 -5.577 -1.260
109 HA LYS 18 HA LYS 18 -0.395 -5.842 0.969
110 HB2 LYS 18 HB2 LYS 18 1.900 -7.663 0.175
111 HB3 LYS 18 HB1 LYS 18 1.175 -7.597 1.774
112 HG2 LYS 18 HG2 LYS 18 -0.247 -8.413 -0.754
113 HG3 LYS 18 HG1 LYS 18 0.387 -9.519 0.465
114 HD2 LYS 18 HD2 LYS 18 -1.108 -8.512 2.129
115 HD3 LYS 18 HD1 LYS 18 -1.741 -7.426 0.898
116 HE2 LYS 18 HE2 LYS 18 -2.606 -9.282 -0.371
117 HE3 LYS 18 HE1 LYS 18 -1.885 -10.431 0.756
118 HZ1 LYS 18 HZ1 LYS 18 -3.979 -8.445 1.477
119 HZ2 LYS 18 HZ2 LYS 18 -3.331 -9.649 2.472
120 HZ3 LYS 18 HZ3 LYS 18 -4.253 -10.076 1.139
121 H ASN 19 HN ASN 19 1.300 -3.904 -0.633
122 HA ASN 19 HA ASN 19 3.214 -3.236 1.473
123 HB2 ASN 19 HB2 ASN 19 4.368 -4.046 -0.544
124 HB3 ASN 19 HB1 ASN 19 3.526 -2.844 -1.514
125 HD21 ASN 19 HD21 ASN 19 5.486 -1.907 -2.185
126 HD22 ASN 19 HD22 ASN 19 6.447 -0.981 -1.099
127 H CYS 20 HN CYS 20 2.658 -1.450 2.430
128 HA CYS 20 HA CYS 20 1.356 0.721 0.949
129 HB2 CYS 20 HB2 CYS 20 -0.338 -0.454 2.310
130 HB3 CYS 20 HB1 CYS 20 0.687 -0.292 3.735
131 H GLY 21 HN GLY 21 2.688 2.407 1.036
132 HA2 GLY 21 HA2 GLY 21 5.010 2.291 2.802
133 HA3 GLY 21 HA1 GLY 21 4.720 3.410 1.487
134 H TRP 22 HN TRP 22 5.830 4.536 3.490
135 HA TRP 22 HA TRP 22 4.119 5.481 5.518
136 HB2 TRP 22 HB2 TRP 22 5.957 7.177 5.821
137 HB3 TRP 22 HB1 TRP 22 6.454 5.499 5.967
138 HD1 TRP 22 HD1 TRP 22 6.140 7.449 2.624
139 HE1 TRP 22 HE1 TRP 22 8.464 7.552 1.517
140 HE3 TRP 22 HE3 TRP 22 8.891 5.295 6.343
141 HZ2 TRP 22 HZ2 TRP 22 11.117 6.824 2.153
142 HZ3 TRP 22 HZ3 TRP 22 11.320 5.040 6.017
143 HH2 TRP 22 HH2 TRP 22 12.399 5.790 3.964
144 H ASN 23 HN ASN 23 4.207 6.076 2.316
145 HA ASN 23 HA ASN 23 3.383 8.845 2.274
146 HB2 ASN 23 HB2 ASN 23 3.201 8.490 -0.152
147 HB3 ASN 23 HB1 ASN 23 4.749 7.900 0.435
148 HD21 ASN 23 HD21 ASN 23 3.434 7.157 -2.006
149 HD22 ASN 23 HD22 ASN 23 3.138 5.456 -1.907
150 H PHE 24 HN PHE 24 2.026 5.912 2.996
151 HA PHE 24 HA PHE 24 0.001 5.090 3.331
152 HB2 PHE 24 HB2 PHE 24 -0.738 8.004 3.179
153 HB3 PHE 24 HB1 PHE 24 -1.956 6.762 3.439
154 HD1 PHE 24 HD1 PHE 24 -2.060 5.546 5.495
155 HD2 PHE 24 HD2 PHE 24 0.912 8.505 4.885
156 HE1 PHE 24 HE1 PHE 24 -1.583 5.552 7.924
157 HE2 PHE 24 HE2 PHE 24 1.405 8.532 7.301
158 HZ PHE 24 HZ PHE 24 0.153 7.048 8.826
159 H LYS 25 HN LYS 25 1.061 5.001 0.761
160 HA LYS 25 HA LYS 25 -1.434 4.604 -0.697
161 HB2 LYS 25 HB2 LYS 25 1.165 5.621 -1.788
162 HB3 LYS 25 HB1 LYS 25 -0.192 5.123 -2.793
163 HG2 LYS 25 HG2 LYS 25 -1.529 6.940 -1.825
164 HG3 LYS 25 HG1 LYS 25 -0.142 7.406 -0.832
165 HD2 LYS 25 HD2 LYS 25 1.163 7.816 -2.831
166 HD3 LYS 25 HD1 LYS 25 -0.209 7.355 -3.840
167 HE2 LYS 25 HE2 LYS 25 -1.500 9.228 -2.899
168 HE3 LYS 25 HE1 LYS 25 -0.105 9.679 -1.921
169 HZ1 LYS 25 HZ1 LYS 25 1.139 10.073 -3.913
170 HZ2 LYS 25 HZ2 LYS 25 -0.275 10.992 -3.955
171 HZ3 LYS 25 HZ3 LYS 25 -0.145 9.577 -4.871
172 H CYS 26 HN CYS 26 -1.450 2.767 -1.951
173 HA CYS 26 HA CYS 26 0.220 0.671 -1.037
174 HB2 CYS 26 HB2 CYS 26 -1.844 0.854 -3.199
175 HB3 CYS 26 HB1 CYS 26 -1.075 -0.676 -2.740
176 H ASN 27 HN ASN 27 2.139 0.306 -1.719
177 HA ASN 27 HA ASN 27 3.035 1.481 -4.258
178 HB2 ASN 27 HB2 ASN 27 4.582 0.776 -1.741
179 HB3 ASN 27 HB1 ASN 27 5.329 1.344 -3.221
180 HD21 ASN 27 HD21 ASN 27 5.360 2.478 -0.537
181 HD22 ASN 27 HD22 ASN 27 4.727 4.074 -0.660
182 HA HYP 28 HA HYP 28 3.856 -2.657 -5.731
183 HB2 HYP 28 HB1 HYP 28 4.448 -1.676 -7.775
184 HB3 HYP 28 HB2 HYP 28 6.049 -2.241 -7.276
185 HG HYP 28 HG HYP 28 6.677 -0.160 -6.500
186 HD22 HYP 28 HD11 HYP 28 3.833 0.847 -6.539
187 HD23 HYP 28 HD12 HYP 28 5.124 1.245 -5.390
188 HD1 HYP 28 HD2 HYP 28 6.366 1.135 -7.999
189 HA HYP 29 HA HYP 29 6.799 -4.263 -2.800
190 HB2 HYP 29 HB1 HYP 29 6.584 -6.520 -3.108
191 HB3 HYP 29 HB2 HYP 29 7.537 -6.443 -4.595
192 HG HYP 29 HG HYP 29 5.359 -7.006 -5.421
193 HD22 HYP 29 HD11 HYP 29 4.451 -4.617 -6.032
194 HD23 HYP 29 HD12 HYP 29 6.150 -4.937 -6.486
195 HD1 HYP 29 HD2 HYP 29 4.376 -5.065 -3.736
196 H ASN 30 HN ASN 30 8.647 -3.311 -2.543
197 HA ASN 30 HA ASN 30 10.678 -3.401 -4.670
198 HB2 ASN 30 HB2 ASN 30 9.799 -1.063 -3.017
199 HB3 ASN 30 HB1 ASN 30 11.486 -1.177 -3.475
200 HD21 ASN 30 HD21 ASN 30 8.965 -2.324 -5.598
201 HD22 ASN 30 HD22 ASN 30 9.108 -1.069 -6.766
202 H GLN 31 HN GLN 31 10.208 -2.704 -1.249
203 HA GLN 31 HA GLN 31 12.560 -4.323 -0.674
204 HB2 GLN 31 HB2 GLN 31 11.718 -1.717 0.597
205 HB3 GLN 31 HB1 GLN 31 12.955 -2.780 1.255
206 HG2 GLN 31 HG2 GLN 31 13.071 -1.488 -1.457
207 HG3 GLN 31 HG1 GLN 31 13.837 -0.847 -0.004
208 HE21 GLN 31 HE21 GLN 31 13.898 -3.387 -2.385
209 HE22 GLN 31 HE22 GLN 31 15.480 -3.944 -2.014
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 -12.423 -8.233 -2.676
2 H2 GLY 1 HT2 GLY 1 -11.892 -7.376 -1.312
3 H3 GLY 1 HT3 GLY 1 -10.982 -8.671 -1.897
4 HA2 GLY 1 HA1 GLY 1 -10.527 -7.466 -3.920
5 HA3 GLY 1 HA2 GLY 1 -11.457 -6.116 -3.270
6 H CYS 2 HN CYS 2 -8.987 -5.519 -3.944
7 HA CYS 2 HA CYS 2 -7.647 -5.266 -1.373
8 HB2 CYS 2 HB2 CYS 2 -5.472 -5.502 -2.541
9 HB3 CYS 2 HB1 CYS 2 -6.426 -6.979 -2.535
10 H ILE 3 HN ILE 3 -6.237 -3.413 -1.318
11 HA ILE 3 HA ILE 3 -7.377 -1.172 -2.685
12 HB ILE 3 HB ILE 3 -4.928 -1.269 -0.890
13 HG12 ILE 3 HG12 ILE 3 -7.783 -0.551 -0.207
14 HG13 ILE 3 HG11 ILE 3 -7.009 -2.073 0.217
15 HG21 ILE 3 HG21 ILE 3 -5.360 1.149 -0.611
16 HG22 ILE 3 HG22 ILE 3 -6.639 1.033 -1.826
17 HG23 ILE 3 HG23 ILE 3 -4.969 0.710 -2.274
18 HD11 ILE 3 HD11 ILE 3 -6.213 0.665 1.183
19 HD12 ILE 3 HD12 ILE 3 -5.380 -0.839 1.575
20 HD13 ILE 3 HD13 ILE 3 -7.037 -0.587 2.116
21 H ALA 4 HN ALA 4 -6.829 -0.604 -4.592
22 HA ALA 4 HA ALA 4 -4.772 -1.726 -6.118
23 HB1 ALA 4 HB1 ALA 4 -6.325 0.821 -6.580
24 HB2 ALA 4 HB2 ALA 4 -6.804 -0.794 -7.105
25 HB3 ALA 4 HB3 ALA 4 -5.367 -0.034 -7.787
26 H THR 5 HN THR 5 -2.767 -0.968 -6.691
27 HA THR 5 HA THR 5 -1.518 0.554 -4.741
28 HB THR 5 HB THR 5 0.458 0.350 -6.123
29 HG1 THR 5 HG1 THR 5 -0.340 0.248 -8.226
30 HG21 THR 5 HG21 THR 5 0.594 -2.113 -5.983
31 HG22 THR 5 HG22 THR 5 -1.151 -2.165 -5.717
32 HG23 THR 5 HG23 THR 5 -0.101 -1.374 -4.543
33 H GLY 6 HN GLY 6 -0.703 2.569 -4.730
34 HA2 GLY 6 HA2 GLY 6 -0.421 4.744 -5.587
35 HA3 GLY 6 HA1 GLY 6 -1.552 4.353 -6.882
36 H SER 7 HN SER 7 -3.266 3.044 -4.669
37 HA SER 7 HA SER 7 -4.696 5.479 -4.010
38 HB2 SER 7 HB2 SER 7 -5.493 2.579 -3.618
39 HB3 SER 7 HB1 SER 7 -6.544 3.982 -3.411
40 HG SER 7 HG SER 7 -5.385 2.980 -5.798
41 H PHE 8 HN PHE 8 -5.526 5.784 -1.825
42 HA PHE 8 HA PHE 8 -3.523 5.702 0.142
43 HB2 PHE 8 HB2 PHE 8 -5.139 7.482 0.080
44 HB3 PHE 8 HB1 PHE 8 -6.470 6.353 0.234
45 HD1 PHE 8 HD1 PHE 8 -3.449 7.519 2.086
46 HD2 PHE 8 HD2 PHE 8 -7.439 6.068 2.301
47 HE1 PHE 8 HE1 PHE 8 -3.457 7.896 4.512
48 HE2 PHE 8 HE2 PHE 8 -7.449 6.431 4.725
49 HZ PHE 8 HZ PHE 8 -5.452 7.349 5.836
50 H CYS 9 HN CYS 9 -3.163 4.412 1.849
51 HA CYS 9 HA CYS 9 -5.035 2.238 2.427
52 HB2 CYS 9 HB2 CYS 9 -2.983 0.788 2.763
53 HB3 CYS 9 HB1 CYS 9 -3.407 1.163 1.097
54 H THR 10 HN THR 10 -5.296 1.836 4.564
55 HA THR 10 HA THR 10 -3.506 3.212 6.404
56 HB THR 10 HB THR 10 -5.337 2.628 8.101
57 HG1 THR 10 HG1 THR 10 -7.301 2.097 7.345
58 HG21 THR 10 HG21 THR 10 -5.006 4.893 7.254
59 HG22 THR 10 HG22 THR 10 -6.725 4.550 7.452
60 HG23 THR 10 HG23 THR 10 -5.998 4.522 5.845
61 H LEU 11 HN LEU 11 -4.398 0.188 5.147
62 HA LEU 11 HA LEU 11 -2.838 -1.200 7.199
63 HB2 LEU 11 HB2 LEU 11 -5.228 -2.255 5.687
64 HB3 LEU 11 HB1 LEU 11 -4.284 -3.137 6.864
65 HG LEU 11 HG LEU 11 -6.031 -0.744 7.442
66 HD11 LEU 11 HD11 LEU 11 -7.316 -2.720 6.908
67 HD12 LEU 11 HD12 LEU 11 -7.426 -2.358 8.631
68 HD13 LEU 11 HD13 LEU 11 -6.382 -3.662 8.066
69 HD21 LEU 11 HD21 LEU 11 -4.423 -2.510 9.276
70 HD22 LEU 11 HD22 LEU 11 -5.599 -1.302 9.795
71 HD23 LEU 11 HD23 LEU 11 -4.137 -0.800 8.947
72 H SER 12 HN SER 12 -1.153 -2.286 6.357
73 HA SER 12 HA SER 12 -0.418 -2.110 3.672
74 HB2 SER 12 HB2 SER 12 1.305 -3.822 4.460
75 HB3 SER 12 HB1 SER 12 1.261 -2.281 5.325
76 HG SER 12 HG SER 12 1.182 -4.538 6.429
77 H LYS 13 HN LYS 13 -1.909 -4.539 5.569
78 HA LYS 13 HA LYS 13 -1.931 -6.863 4.058
79 HB2 LYS 13 HB2 LYS 13 -4.299 -5.761 5.533
80 HB3 LYS 13 HB1 LYS 13 -3.924 -7.442 5.227
81 HG2 LYS 13 HG2 LYS 13 -2.222 -7.466 6.840
82 HG3 LYS 13 HG1 LYS 13 -2.164 -5.698 6.930
83 HD2 LYS 13 HD2 LYS 13 -4.444 -5.679 7.678
84 HD3 LYS 13 HD1 LYS 13 -4.481 -7.439 7.724
85 HE2 LYS 13 HE2 LYS 13 -2.653 -5.664 9.372
86 HE3 LYS 13 HE1 LYS 13 -4.091 -6.474 9.974
87 HZ1 LYS 13 HZ1 LYS 13 -3.007 -8.610 9.497
88 HZ2 LYS 13 HZ2 LYS 13 -2.138 -7.663 10.577
89 HZ3 LYS 13 HZ3 LYS 13 -1.608 -7.791 9.001
90 H GLY 14 HN GLY 14 -4.034 -4.061 3.958
91 HA2 GLY 14 HA2 GLY 14 -6.007 -5.042 2.214
92 HA3 GLY 14 HA1 GLY 14 -5.708 -3.349 2.560
93 H CYS 15 HN CYS 15 -2.970 -3.489 1.491
94 HA CYS 15 HA CYS 15 -3.536 -2.661 -1.144
95 HB2 CYS 15 HB2 CYS 15 -0.911 -3.491 0.075
96 HB3 CYS 15 HB1 CYS 15 -1.098 -2.635 -1.449
97 H CYS 16 HN CYS 16 -3.280 -3.617 -3.126
98 HA CYS 16 HA CYS 16 -3.551 -6.393 -3.350
99 HB2 CYS 16 HB2 CYS 16 -2.577 -4.457 -5.463
100 HB3 CYS 16 HB1 CYS 16 -3.195 -6.077 -5.760
101 H THR 17 HN THR 17 -0.622 -4.357 -3.402
102 HA THR 17 HA THR 17 1.124 -6.595 -3.887
103 HB THR 17 HB THR 17 2.819 -4.771 -3.376
104 HG1 THR 17 HG1 THR 17 1.873 -2.634 -3.461
105 HG21 THR 17 HG21 THR 17 2.420 -3.619 -5.507
106 HG22 THR 17 HG22 THR 17 0.790 -4.297 -5.564
107 HG23 THR 17 HG23 THR 17 2.197 -5.360 -5.673
108 H LYS 18 HN LYS 18 -0.657 -5.619 -1.290
109 HA LYS 18 HA LYS 18 -0.525 -5.382 0.908
110 HB2 LYS 18 HB2 LYS 18 1.156 -7.841 0.467
111 HB3 LYS 18 HB1 LYS 18 0.648 -7.312 2.071
112 HG2 LYS 18 HG2 LYS 18 -1.692 -7.427 1.373
113 HG3 LYS 18 HG1 LYS 18 -1.185 -7.973 -0.222
114 HD2 LYS 18 HD2 LYS 18 -0.225 -9.961 0.747
115 HD3 LYS 18 HD1 LYS 18 -0.633 -9.388 2.364
116 HE2 LYS 18 HE2 LYS 18 -2.651 -9.938 0.183
117 HE3 LYS 18 HE1 LYS 18 -2.268 -11.074 1.467
118 HZ1 LYS 18 HZ1 LYS 18 -3.040 -9.425 3.079
119 HZ2 LYS 18 HZ2 LYS 18 -4.260 -9.820 2.014
120 HZ3 LYS 18 HZ3 LYS 18 -3.461 -8.353 1.851
121 H ASN 19 HN ASN 19 1.297 -3.825 -0.542
122 HA ASN 19 HA ASN 19 3.332 -3.284 1.485
123 HB2 ASN 19 HB2 ASN 19 4.355 -4.213 -0.524
124 HB3 ASN 19 HB1 ASN 19 3.507 -3.049 -1.527
125 HD21 ASN 19 HD21 ASN 19 5.389 -2.299 -2.405
126 HD22 ASN 19 HD22 ASN 19 6.530 -1.361 -1.577
127 H CYS 20 HN CYS 20 2.303 -1.667 2.506
128 HA CYS 20 HA CYS 20 1.167 0.561 0.977
129 HB2 CYS 20 HB2 CYS 20 -0.274 -0.463 2.673
130 HB3 CYS 20 HB1 CYS 20 0.952 -0.214 3.917
131 H GLY 21 HN GLY 21 2.323 2.475 0.923
132 HA2 GLY 21 HA2 GLY 21 4.929 2.259 2.197
133 HA3 GLY 21 HA1 GLY 21 4.524 3.291 0.842
134 H TRP 22 HN TRP 22 5.978 4.501 2.452
135 HA TRP 22 HA TRP 22 5.067 5.672 4.794
136 HB2 TRP 22 HB2 TRP 22 6.805 7.259 4.457
137 HB3 TRP 22 HB1 TRP 22 7.469 5.716 4.024
138 HD1 TRP 22 HD1 TRP 22 6.927 5.455 0.982
139 HE1 TRP 22 HE1 TRP 22 7.768 7.198 -0.711
140 HE3 TRP 22 HE3 TRP 22 7.617 9.272 4.152
141 HZ2 TRP 22 HZ2 TRP 22 8.638 9.909 -0.676
142 HZ3 TRP 22 HZ3 TRP 22 8.472 11.463 3.290
143 HH2 TRP 22 HH2 TRP 22 8.969 11.744 0.912
144 H ASN 23 HN ASN 23 4.237 6.298 1.537
145 HA ASN 23 HA ASN 23 3.335 9.018 1.935
146 HB2 ASN 23 HB2 ASN 23 2.778 8.935 -0.451
147 HB3 ASN 23 HB1 ASN 23 4.422 8.376 -0.174
148 HD21 ASN 23 HD21 ASN 23 2.639 7.883 -2.403
149 HD22 ASN 23 HD22 ASN 23 2.490 6.167 -2.547
150 H PHE 24 HN PHE 24 2.221 6.155 2.837
151 HA PHE 24 HA PHE 24 0.290 5.321 3.548
152 HB2 PHE 24 HB2 PHE 24 -0.782 8.108 3.030
153 HB3 PHE 24 HB1 PHE 24 -1.668 6.836 3.862
154 HD1 PHE 24 HD1 PHE 24 -0.889 6.044 6.063
155 HD2 PHE 24 HD2 PHE 24 0.899 9.374 4.122
156 HE1 PHE 24 HE1 PHE 24 0.110 6.741 8.188
157 HE2 PHE 24 HE2 PHE 24 1.907 10.080 6.250
158 HZ PHE 24 HZ PHE 24 1.515 8.757 8.291
159 H LYS 25 HN LYS 25 1.072 5.396 0.679
160 HA LYS 25 HA LYS 25 -1.510 4.508 -0.295
161 HB2 LYS 25 HB2 LYS 25 0.623 5.993 -1.828
162 HB3 LYS 25 HB1 LYS 25 -0.750 5.191 -2.582
163 HG2 LYS 25 HG2 LYS 25 -2.267 6.661 -1.330
164 HG3 LYS 25 HG1 LYS 25 -0.869 7.478 -0.630
165 HD2 LYS 25 HD2 LYS 25 -0.157 8.199 -2.782
166 HD3 LYS 25 HD1 LYS 25 -1.444 7.283 -3.576
167 HE2 LYS 25 HE2 LYS 25 -3.094 8.665 -2.294
168 HE3 LYS 25 HE1 LYS 25 -1.747 9.651 -1.732
169 HZ1 LYS 25 HZ1 LYS 25 -1.253 10.211 -4.036
170 HZ2 LYS 25 HZ2 LYS 25 -2.825 10.652 -3.623
171 HZ3 LYS 25 HZ3 LYS 25 -2.570 9.303 -4.572
172 H CYS 26 HN CYS 26 -1.394 2.750 -1.724
173 HA CYS 26 HA CYS 26 0.540 0.861 -0.881
174 HB2 CYS 26 HB2 CYS 26 -1.595 0.796 -2.975
175 HB3 CYS 26 HB1 CYS 26 -0.682 -0.649 -2.475
176 H ASN 27 HN ASN 27 2.337 0.240 -1.836
177 HA ASN 27 HA ASN 27 3.208 1.796 -4.166
178 HB2 ASN 27 HB2 ASN 27 4.709 0.499 -1.896
179 HB3 ASN 27 HB1 ASN 27 5.536 0.998 -3.362
180 HD21 ASN 27 HD21 ASN 27 5.857 1.917 -0.662
181 HD22 ASN 27 HD22 ASN 27 5.545 3.617 -0.674
182 HA HYP 28 HA HYP 28 4.013 -1.689 -6.846
183 HB2 HYP 28 HB1 HYP 28 6.042 -1.379 -7.984
184 HB3 HYP 28 HB2 HYP 28 6.927 -1.029 -6.494
185 HG HYP 28 HG HYP 28 6.608 1.132 -7.309
186 HD22 HYP 28 HD11 HYP 28 3.981 1.494 -6.345
187 HD23 HYP 28 HD12 HYP 28 5.449 1.621 -5.356
188 HD1 HYP 28 HD2 HYP 28 5.197 1.674 -8.637
189 HA HYP 29 HA HYP 29 5.280 -5.019 -4.342
190 HB2 HYP 29 HB1 HYP 29 4.903 -6.795 -5.726
191 HB3 HYP 29 HB2 HYP 29 6.583 -6.713 -6.269
192 HG HYP 29 HG HYP 29 5.585 -6.124 -8.279
193 HD22 HYP 29 HD11 HYP 29 4.983 -3.516 -8.020
194 HD23 HYP 29 HD12 HYP 29 6.661 -4.042 -7.759
195 HD1 HYP 29 HD2 HYP 29 3.540 -4.642 -7.421
196 H ASN 30 HN ASN 30 6.755 -4.551 -2.915
197 HA ASN 30 HA ASN 30 9.597 -4.449 -3.727
198 HB2 ASN 30 HB2 ASN 30 8.254 -3.119 -1.362
199 HB3 ASN 30 HB1 ASN 30 9.976 -3.068 -1.699
200 HD21 ASN 30 HD21 ASN 30 9.624 -2.748 -4.600
201 HD22 ASN 30 HD22 ASN 30 9.060 -1.139 -4.821
202 H GLN 31 HN GLN 31 7.345 -6.258 -2.132
203 HA GLN 31 HA GLN 31 9.216 -7.423 -0.234
204 HB2 GLN 31 HB2 GLN 31 6.271 -7.890 -0.728
205 HB3 GLN 31 HB1 GLN 31 7.222 -8.671 0.521
206 HG2 GLN 31 HG2 GLN 31 7.529 -6.614 1.687
207 HG3 GLN 31 HG1 GLN 31 6.857 -5.697 0.344
208 HE21 GLN 31 HE21 GLN 31 5.346 -4.806 1.702
209 HE22 GLN 31 HE22 GLN 31 3.950 -5.667 2.221
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 -13.110 -5.688 -4.889
2 H2 GLY 1 HT2 GLY 1 -12.090 -4.374 -4.556
3 H3 GLY 1 HT3 GLY 1 -12.865 -5.168 -3.295
4 HA2 GLY 1 HA1 GLY 1 -11.593 -7.148 -3.720
5 HA3 GLY 1 HA2 GLY 1 -10.799 -6.317 -5.056
6 H CYS 2 HN CYS 2 -8.753 -6.084 -4.345
7 HA CYS 2 HA CYS 2 -8.242 -5.225 -1.630
8 HB2 CYS 2 HB2 CYS 2 -5.827 -5.532 -2.371
9 HB3 CYS 2 HB1 CYS 2 -6.825 -6.982 -2.363
10 H ILE 3 HN ILE 3 -6.444 -3.448 -1.394
11 HA ILE 3 HA ILE 3 -7.454 -1.172 -2.812
12 HB ILE 3 HB ILE 3 -5.124 -1.292 -0.846
13 HG12 ILE 3 HG12 ILE 3 -8.016 -0.548 -0.353
14 HG13 ILE 3 HG11 ILE 3 -7.278 -2.068 0.139
15 HG21 ILE 3 HG21 ILE 3 -5.096 0.694 -2.258
16 HG22 ILE 3 HG22 ILE 3 -5.536 1.127 -0.606
17 HG23 ILE 3 HG23 ILE 3 -6.778 1.029 -1.854
18 HD11 ILE 3 HD11 ILE 3 -7.451 -0.518 2.008
19 HD12 ILE 3 HD12 ILE 3 -6.502 0.676 1.120
20 HD13 ILE 3 HD13 ILE 3 -5.761 -0.844 1.621
21 H ALA 4 HN ALA 4 -6.779 -0.570 -4.659
22 HA ALA 4 HA ALA 4 -4.698 -1.820 -6.090
23 HB1 ALA 4 HB1 ALA 4 -6.629 -0.882 -7.212
24 HB2 ALA 4 HB2 ALA 4 -5.157 -0.118 -7.815
25 HB3 ALA 4 HB3 ALA 4 -6.188 0.730 -6.663
26 H THR 5 HN THR 5 -2.743 -0.944 -6.850
27 HA THR 5 HA THR 5 -1.458 0.541 -4.833
28 HB THR 5 HB THR 5 0.523 0.354 -6.135
29 HG1 THR 5 HG1 THR 5 -1.277 -0.078 -8.164
30 HG21 THR 5 HG21 THR 5 0.641 -2.105 -6.178
31 HG22 THR 5 HG22 THR 5 -1.109 -2.152 -5.945
32 HG23 THR 5 HG23 THR 5 -0.070 -1.446 -4.707
33 H GLY 6 HN GLY 6 -0.755 2.558 -4.805
34 HA2 GLY 6 HA2 GLY 6 -0.518 4.737 -5.700
35 HA3 GLY 6 HA1 GLY 6 -1.655 4.299 -6.981
36 H SER 7 HN SER 7 -3.278 2.970 -4.677
37 HA SER 7 HA SER 7 -4.803 5.361 -4.093
38 HB2 SER 7 HB2 SER 7 -5.407 2.448 -3.548
39 HB3 SER 7 HB1 SER 7 -6.533 3.791 -3.346
40 HG SER 7 HG SER 7 -5.260 3.366 -5.811
41 H PHE 8 HN PHE 8 -5.634 5.653 -1.904
42 HA PHE 8 HA PHE 8 -3.559 5.825 0.000
43 HB2 PHE 8 HB2 PHE 8 -5.364 7.485 -0.228
44 HB3 PHE 8 HB1 PHE 8 -6.534 6.278 0.259
45 HD1 PHE 8 HD1 PHE 8 -3.840 8.482 1.395
46 HD2 PHE 8 HD2 PHE 8 -6.814 5.689 2.588
47 HE1 PHE 8 HE1 PHE 8 -3.582 9.201 3.723
48 HE2 PHE 8 HE2 PHE 8 -6.550 6.405 4.924
49 HZ PHE 8 HZ PHE 8 -4.939 8.158 5.493
50 H CYS 9 HN CYS 9 -3.060 4.560 1.653
51 HA CYS 9 HA CYS 9 -4.906 2.451 2.501
52 HB2 CYS 9 HB2 CYS 9 -2.998 0.886 2.637
53 HB3 CYS 9 HB1 CYS 9 -3.376 1.374 0.988
54 H THR 10 HN THR 10 -4.709 1.865 4.641
55 HA THR 10 HA THR 10 -2.791 3.379 6.220
56 HB THR 10 HB THR 10 -4.357 2.847 8.149
57 HG1 THR 10 HG1 THR 10 -6.403 2.182 7.669
58 HG21 THR 10 HG21 THR 10 -4.310 5.071 7.108
59 HG22 THR 10 HG22 THR 10 -5.947 4.638 7.595
60 HG23 THR 10 HG23 THR 10 -5.474 4.532 5.899
61 H LEU 11 HN LEU 11 -4.134 0.236 5.450
62 HA LEU 11 HA LEU 11 -2.177 -1.022 7.225
63 HB2 LEU 11 HB2 LEU 11 -4.838 -2.077 6.277
64 HB3 LEU 11 HB1 LEU 11 -3.722 -2.928 7.325
65 HG LEU 11 HG LEU 11 -5.206 -0.387 8.022
66 HD11 LEU 11 HD11 LEU 11 -5.593 -3.215 8.978
67 HD12 LEU 11 HD12 LEU 11 -6.680 -2.305 7.927
68 HD13 LEU 11 HD13 LEU 11 -6.433 -1.793 9.595
69 HD21 LEU 11 HD21 LEU 11 -3.387 -2.112 9.706
70 HD22 LEU 11 HD22 LEU 11 -4.344 -0.752 10.293
71 HD23 LEU 11 HD23 LEU 11 -3.039 -0.476 9.141
72 H SER 12 HN SER 12 -0.787 -2.413 6.338
73 HA SER 12 HA SER 12 -0.202 -2.332 3.645
74 HB2 SER 12 HB2 SER 12 1.344 -4.274 4.383
75 HB3 SER 12 HB1 SER 12 1.556 -2.666 5.085
76 HG SER 12 HG SER 12 0.901 -4.985 6.288
77 H LYS 13 HN LYS 13 -1.733 -4.962 5.479
78 HA LYS 13 HA LYS 13 -1.819 -6.671 3.270
79 HB2 LYS 13 HB2 LYS 13 -3.256 -8.165 4.542
80 HB3 LYS 13 HB1 LYS 13 -1.871 -7.666 5.474
81 HG2 LYS 13 HG2 LYS 13 -4.638 -6.503 5.809
82 HG3 LYS 13 HG1 LYS 13 -4.041 -7.878 6.724
83 HD2 LYS 13 HD2 LYS 13 -2.183 -6.406 7.570
84 HD3 LYS 13 HD1 LYS 13 -2.978 -5.057 6.751
85 HE2 LYS 13 HE2 LYS 13 -4.958 -5.341 8.100
86 HE3 LYS 13 HE1 LYS 13 -4.248 -6.752 8.881
87 HZ1 LYS 13 HZ1 LYS 13 -4.036 -4.701 10.222
88 HZ2 LYS 13 HZ2 LYS 13 -3.053 -4.034 9.015
89 HZ3 LYS 13 HZ3 LYS 13 -2.563 -5.390 9.831
90 H GLY 14 HN GLY 14 -3.650 -3.967 3.733
91 HA2 GLY 14 HA2 GLY 14 -6.047 -4.925 2.450
92 HA3 GLY 14 HA1 GLY 14 -5.637 -3.246 2.787
93 H CYS 15 HN CYS 15 -3.027 -3.523 1.521
94 HA CYS 15 HA CYS 15 -3.717 -2.682 -1.109
95 HB2 CYS 15 HB2 CYS 15 -1.094 -3.423 0.114
96 HB3 CYS 15 HB1 CYS 15 -1.272 -2.614 -1.442
97 H CYS 16 HN CYS 16 -3.373 -3.690 -3.065
98 HA CYS 16 HA CYS 16 -3.597 -6.479 -3.179
99 HB2 CYS 16 HB2 CYS 16 -2.689 -4.587 -5.353
100 HB3 CYS 16 HB1 CYS 16 -3.249 -6.239 -5.598
101 H THR 17 HN THR 17 -0.712 -4.349 -3.444
102 HA THR 17 HA THR 17 1.083 -6.467 -4.034
103 HB THR 17 HB THR 17 2.688 -4.598 -3.381
104 HG1 THR 17 HG1 THR 17 1.787 -2.645 -3.032
105 HG21 THR 17 HG21 THR 17 2.162 -3.368 -5.473
106 HG22 THR 17 HG22 THR 17 0.635 -4.248 -5.570
107 HG23 THR 17 HG23 THR 17 2.164 -5.116 -5.699
108 H LYS 18 HN LYS 18 -0.559 -5.621 -1.281
109 HA LYS 18 HA LYS 18 -0.438 -6.007 0.933
110 HB2 LYS 18 HB2 LYS 18 1.938 -7.790 0.301
111 HB3 LYS 18 HB1 LYS 18 0.969 -7.836 1.761
112 HG2 LYS 18 HG2 LYS 18 -0.017 -8.521 -1.013
113 HG3 LYS 18 HG1 LYS 18 0.479 -9.688 0.205
114 HD2 LYS 18 HD2 LYS 18 -1.795 -7.723 0.543
115 HD3 LYS 18 HD1 LYS 18 -1.993 -9.387 0.007
116 HE2 LYS 18 HE2 LYS 18 -0.851 -8.503 2.661
117 HE3 LYS 18 HE1 LYS 18 -2.466 -9.152 2.394
118 HZ1 LYS 18 HZ1 LYS 18 -1.401 -11.233 1.623
119 HZ2 LYS 18 HZ2 LYS 18 -1.070 -10.857 3.220
120 HZ3 LYS 18 HZ3 LYS 18 0.110 -10.598 2.052
121 H ASN 19 HN ASN 19 1.349 -3.983 -0.512
122 HA ASN 19 HA ASN 19 3.087 -3.367 1.778
123 HB2 ASN 19 HB2 ASN 19 4.462 -4.131 -0.129
124 HB3 ASN 19 HB1 ASN 19 3.726 -2.904 -1.146
125 HD21 ASN 19 HD21 ASN 19 5.774 -1.967 -1.553
126 HD22 ASN 19 HD22 ASN 19 6.551 -0.991 -0.371
127 H CYS 20 HN CYS 20 2.476 -1.553 2.703
128 HA CYS 20 HA CYS 20 1.118 0.493 1.101
129 HB2 CYS 20 HB2 CYS 20 -0.255 -0.470 2.916
130 HB3 CYS 20 HB1 CYS 20 0.992 -0.068 4.092
131 H GLY 21 HN GLY 21 2.176 2.423 0.896
132 HA2 GLY 21 HA2 GLY 21 4.870 2.526 1.924
133 HA3 GLY 21 HA1 GLY 21 4.107 3.640 0.795
134 H TRP 22 HN TRP 22 5.715 4.665 2.785
135 HA TRP 22 HA TRP 22 4.189 5.395 5.054
136 HB2 TRP 22 HB2 TRP 22 6.030 6.807 5.596
137 HB3 TRP 22 HB1 TRP 22 6.697 5.257 5.205
138 HD1 TRP 22 HD1 TRP 22 7.415 5.421 2.228
139 HE1 TRP 22 HE1 TRP 22 8.927 7.267 1.264
140 HE3 TRP 22 HE3 TRP 22 6.923 8.739 5.934
141 HZ2 TRP 22 HZ2 TRP 22 9.821 9.857 2.041
142 HZ3 TRP 22 HZ3 TRP 22 8.141 10.931 5.816
143 HH2 TRP 22 HH2 TRP 22 9.561 11.450 3.891
144 H ASN 23 HN ASN 23 4.060 6.273 1.939
145 HA ASN 23 HA ASN 23 3.306 9.057 2.277
146 HB2 ASN 23 HB2 ASN 23 3.069 9.083 -0.135
147 HB3 ASN 23 HB1 ASN 23 4.616 8.372 0.294
148 HD21 ASN 23 HD21 ASN 23 3.150 8.115 -2.151
149 HD22 ASN 23 HD22 ASN 23 2.804 6.451 -2.416
150 H PHE 24 HN PHE 24 1.951 6.227 2.953
151 HA PHE 24 HA PHE 24 -0.104 5.522 3.426
152 HB2 PHE 24 HB2 PHE 24 -0.908 8.355 2.739
153 HB3 PHE 24 HB1 PHE 24 -2.023 7.157 3.374
154 HD1 PHE 24 HD1 PHE 24 0.941 9.214 4.135
155 HD2 PHE 24 HD2 PHE 24 -2.066 6.645 5.694
156 HE1 PHE 24 HE1 PHE 24 1.555 9.895 6.421
157 HE2 PHE 24 HE2 PHE 24 -1.460 7.315 7.979
158 HZ PHE 24 HZ PHE 24 0.351 8.941 8.349
159 H LYS 25 HN LYS 25 1.036 5.434 0.674
160 HA LYS 25 HA LYS 25 -1.486 4.735 -0.652
161 HB2 LYS 25 HB2 LYS 25 0.985 5.943 -1.863
162 HB3 LYS 25 HB1 LYS 25 -0.271 5.181 -2.830
163 HG2 LYS 25 HG2 LYS 25 -1.869 6.861 -2.066
164 HG3 LYS 25 HG1 LYS 25 -0.619 7.597 -1.058
165 HD2 LYS 25 HD2 LYS 25 0.706 8.106 -3.016
166 HD3 LYS 25 HD1 LYS 25 -0.470 7.303 -4.058
167 HE2 LYS 25 HE2 LYS 25 -2.150 8.950 -3.473
168 HE3 LYS 25 HE1 LYS 25 -1.041 9.715 -2.336
169 HZ1 LYS 25 HZ1 LYS 25 0.395 10.294 -4.202
170 HZ2 LYS 25 HZ2 LYS 25 -1.138 10.933 -4.390
171 HZ3 LYS 25 HZ3 LYS 25 -0.684 9.598 -5.298
172 H CYS 26 HN CYS 26 -1.430 2.839 -1.849
173 HA CYS 26 HA CYS 26 0.347 0.872 -0.853
174 HB2 CYS 26 HB2 CYS 26 -1.688 0.842 -3.045
175 HB3 CYS 26 HB1 CYS 26 -0.830 -0.625 -2.534
176 H ASN 27 HN ASN 27 2.215 0.203 -1.570
177 HA ASN 27 HA ASN 27 3.277 1.294 -4.102
178 HB2 ASN 27 HB2 ASN 27 4.641 0.710 -1.450
179 HB3 ASN 27 HB1 ASN 27 5.555 0.880 -2.931
180 HD21 ASN 27 HD21 ASN 27 2.760 2.876 -2.138
181 HD22 ASN 27 HD22 ASN 27 3.649 4.323 -1.894
182 HA HYP 28 HA HYP 28 4.049 -2.950 -5.490
183 HB2 HYP 28 HB1 HYP 28 5.641 -2.781 -7.162
184 HB3 HYP 28 HB2 HYP 28 6.871 -2.188 -6.042
185 HG HYP 28 HG HYP 28 6.351 -0.280 -7.341
186 HD22 HYP 28 HD11 HYP 28 4.643 0.894 -5.675
187 HD23 HYP 28 HD12 HYP 28 6.180 0.299 -5.012
188 HD1 HYP 28 HD2 HYP 28 4.005 0.237 -7.420
189 HA HYP 29 HA HYP 29 5.396 -5.141 -1.951
190 HB2 HYP 29 HB1 HYP 29 4.833 -7.170 -2.767
191 HB3 HYP 29 HB2 HYP 29 6.519 -7.350 -3.258
192 HG HYP 29 HG HYP 29 5.689 -7.379 -5.399
193 HD22 HYP 29 HD11 HYP 29 4.852 -4.859 -5.964
194 HD23 HYP 29 HD12 HYP 29 6.564 -5.161 -5.594
195 HD1 HYP 29 HD2 HYP 29 3.609 -6.145 -5.627
196 H ASN 30 HN ASN 30 7.157 -5.269 -0.681
197 HA ASN 30 HA ASN 30 9.793 -5.227 -1.931
198 HB2 ASN 30 HB2 ASN 30 9.249 -2.898 -1.338
199 HB3 ASN 30 HB1 ASN 30 8.926 -3.392 0.318
200 HD21 ASN 30 HD21 ASN 30 10.492 -2.103 1.188
201 HD22 ASN 30 HD22 ASN 30 12.172 -2.399 1.005
202 H GLN 31 HN GLN 31 8.358 -5.160 1.350
203 HA GLN 31 HA GLN 31 10.075 -7.418 2.044
204 HB2 GLN 31 HB2 GLN 31 8.572 -5.454 3.793
205 HB3 GLN 31 HB1 GLN 31 9.563 -6.779 4.393
206 HG2 GLN 31 HG2 GLN 31 11.535 -5.809 3.454
207 HG3 GLN 31 HG1 GLN 31 10.593 -4.560 2.649
208 HE21 GLN 31 HE21 GLN 31 11.682 -2.955 3.596
209 HE22 GLN 31 HE22 GLN 31 11.538 -2.515 5.262
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 -12.465 -8.152 -3.625
2 H2 GLY 1 HT2 GLY 1 -12.276 -7.152 -2.262
3 H3 GLY 1 HT3 GLY 1 -11.157 -8.365 -2.566
4 HA2 GLY 1 HA1 GLY 1 -10.451 -7.241 -4.560
5 HA3 GLY 1 HA2 GLY 1 -11.643 -5.987 -4.228
6 H CYS 2 HN CYS 2 -8.523 -6.450 -4.149
7 HA CYS 2 HA CYS 2 -7.940 -5.428 -1.529
8 HB2 CYS 2 HB2 CYS 2 -5.587 -5.493 -2.483
9 HB3 CYS 2 HB1 CYS 2 -6.422 -7.041 -2.367
10 H ILE 3 HN ILE 3 -6.302 -3.532 -1.533
11 HA ILE 3 HA ILE 3 -7.515 -1.344 -2.973
12 HB ILE 3 HB ILE 3 -5.224 -1.340 -0.969
13 HG12 ILE 3 HG12 ILE 3 -8.159 -0.741 -0.555
14 HG13 ILE 3 HG11 ILE 3 -7.322 -2.179 0.010
15 HG21 ILE 3 HG21 ILE 3 -6.908 0.917 -2.054
16 HG22 ILE 3 HG22 ILE 3 -5.200 0.621 -2.386
17 HG23 ILE 3 HG23 ILE 3 -5.718 1.064 -0.760
18 HD11 ILE 3 HD11 ILE 3 -7.655 -0.578 1.807
19 HD12 ILE 3 HD12 ILE 3 -6.770 0.644 0.894
20 HD13 ILE 3 HD13 ILE 3 -5.938 -0.799 1.471
21 H ALA 4 HN ALA 4 -6.738 -0.636 -4.809
22 HA ALA 4 HA ALA 4 -4.558 -1.896 -6.095
23 HB1 ALA 4 HB1 ALA 4 -4.963 -0.323 -7.905
24 HB2 ALA 4 HB2 ALA 4 -6.018 0.620 -6.858
25 HB3 ALA 4 HB3 ALA 4 -6.475 -1.022 -7.322
26 H THR 5 HN THR 5 -2.579 -1.002 -6.721
27 HA THR 5 HA THR 5 -1.465 0.640 -4.750
28 HB THR 5 HB THR 5 0.582 0.518 -5.982
29 HG1 THR 5 HG1 THR 5 -0.350 0.543 -8.139
30 HG21 THR 5 HG21 THR 5 0.846 -1.928 -5.995
31 HG22 THR 5 HG22 THR 5 -0.907 -2.082 -5.842
32 HG23 THR 5 HG23 THR 5 0.029 -1.310 -4.564
33 H GLY 6 HN GLY 6 -0.823 2.722 -4.797
34 HA2 GLY 6 HA2 GLY 6 -0.743 4.899 -5.804
35 HA3 GLY 6 HA1 GLY 6 -1.899 4.335 -7.006
36 H SER 7 HN SER 7 -3.362 2.992 -4.664
37 HA SER 7 HA SER 7 -4.983 5.311 -4.034
38 HB2 SER 7 HB2 SER 7 -5.441 2.367 -3.559
39 HB3 SER 7 HB1 SER 7 -6.617 3.635 -3.221
40 HG SER 7 HG SER 7 -5.495 3.472 -5.785
41 H PHE 8 HN PHE 8 -5.832 5.513 -1.801
42 HA PHE 8 HA PHE 8 -3.696 5.787 0.041
43 HB2 PHE 8 HB2 PHE 8 -5.510 7.409 -0.100
44 HB3 PHE 8 HB1 PHE 8 -6.682 6.176 0.333
45 HD1 PHE 8 HD1 PHE 8 -7.095 5.629 2.614
46 HD2 PHE 8 HD2 PHE 8 -3.882 8.223 1.582
47 HE1 PHE 8 HE1 PHE 8 -6.846 6.254 4.975
48 HE2 PHE 8 HE2 PHE 8 -3.627 8.848 3.944
49 HZ PHE 8 HZ PHE 8 -5.110 7.864 5.646
50 H CYS 9 HN CYS 9 -3.089 4.537 1.679
51 HA CYS 9 HA CYS 9 -4.835 2.361 2.571
52 HB2 CYS 9 HB2 CYS 9 -2.945 0.845 2.660
53 HB3 CYS 9 HB1 CYS 9 -3.191 1.418 1.014
54 H THR 10 HN THR 10 -4.679 1.914 4.716
55 HA THR 10 HA THR 10 -2.660 3.342 6.248
56 HB THR 10 HB THR 10 -4.375 2.845 8.154
57 HG1 THR 10 HG1 THR 10 -6.069 1.824 7.413
58 HG21 THR 10 HG21 THR 10 -5.573 4.945 7.678
59 HG22 THR 10 HG22 THR 10 -4.993 4.896 6.012
60 HG23 THR 10 HG23 THR 10 -3.850 5.112 7.336
61 H LEU 11 HN LEU 11 -4.058 0.319 5.335
62 HA LEU 11 HA LEU 11 -2.357 -1.109 7.256
63 HB2 LEU 11 HB2 LEU 11 -4.966 -1.981 6.012
64 HB3 LEU 11 HB1 LEU 11 -3.974 -2.947 7.079
65 HG LEU 11 HG LEU 11 -5.383 -0.397 7.857
66 HD11 LEU 11 HD11 LEU 11 -6.010 -3.276 8.491
67 HD12 LEU 11 HD12 LEU 11 -6.947 -2.211 7.445
68 HD13 LEU 11 HD13 LEU 11 -6.830 -1.873 9.172
69 HD21 LEU 11 HD21 LEU 11 -4.761 -1.034 10.145
70 HD22 LEU 11 HD22 LEU 11 -3.345 -0.740 9.140
71 HD23 LEU 11 HD23 LEU 11 -3.836 -2.395 9.506
72 H SER 12 HN SER 12 -0.962 -2.604 6.444
73 HA SER 12 HA SER 12 -0.110 -2.583 3.811
74 HB2 SER 12 HB2 SER 12 1.145 -4.644 4.556
75 HB3 SER 12 HB1 SER 12 1.341 -3.225 5.593
76 HG SER 12 HG SER 12 0.822 -4.702 7.054
77 H LYS 13 HN LYS 13 -2.027 -4.983 5.519
78 HA LYS 13 HA LYS 13 -2.333 -6.807 3.434
79 HB2 LYS 13 HB2 LYS 13 -4.063 -7.906 4.709
80 HB3 LYS 13 HB1 LYS 13 -2.731 -7.477 5.749
81 HG2 LYS 13 HG2 LYS 13 -5.234 -5.807 5.582
82 HG3 LYS 13 HG1 LYS 13 -5.108 -7.198 6.648
83 HD2 LYS 13 HD2 LYS 13 -3.286 -4.773 6.732
84 HD3 LYS 13 HD1 LYS 13 -4.672 -5.036 7.772
85 HE2 LYS 13 HE2 LYS 13 -2.259 -6.856 7.636
86 HE3 LYS 13 HE1 LYS 13 -2.535 -5.625 8.857
87 HZ1 LYS 13 HZ1 LYS 13 -4.283 -7.992 8.385
88 HZ2 LYS 13 HZ2 LYS 13 -4.546 -6.830 9.542
89 HZ3 LYS 13 HZ3 LYS 13 -3.184 -7.817 9.637
90 H GLY 14 HN GLY 14 -3.746 -3.784 3.643
91 HA2 GLY 14 HA2 GLY 14 -6.202 -4.448 2.315
92 HA3 GLY 14 HA1 GLY 14 -5.544 -2.832 2.573
93 H CYS 15 HN CYS 15 -3.034 -3.319 1.432
94 HA CYS 15 HA CYS 15 -3.587 -2.586 -1.240
95 HB2 CYS 15 HB2 CYS 15 -1.023 -3.389 0.085
96 HB3 CYS 15 HB1 CYS 15 -1.165 -2.532 -1.450
97 H CYS 16 HN CYS 16 -3.368 -3.695 -3.140
98 HA CYS 16 HA CYS 16 -3.537 -6.486 -3.222
99 HB2 CYS 16 HB2 CYS 16 -2.608 -4.603 -5.402
100 HB3 CYS 16 HB1 CYS 16 -3.127 -6.267 -5.647
101 H THR 17 HN THR 17 -0.675 -4.322 -3.536
102 HA THR 17 HA THR 17 1.090 -6.490 -3.982
103 HB THR 17 HB THR 17 2.764 -4.644 -3.460
104 HG1 THR 17 HG1 THR 17 1.986 -2.634 -3.180
105 HG21 THR 17 HG21 THR 17 2.307 -3.519 -5.624
106 HG22 THR 17 HG22 THR 17 0.713 -4.269 -5.650
107 HG23 THR 17 HG23 THR 17 2.159 -5.272 -5.747
108 H LYS 18 HN LYS 18 -0.550 -5.452 -1.283
109 HA LYS 18 HA LYS 18 -0.419 -5.648 0.960
110 HB2 LYS 18 HB2 LYS 18 1.871 -7.555 0.395
111 HB3 LYS 18 HB1 LYS 18 1.100 -7.350 1.955
112 HG2 LYS 18 HG2 LYS 18 -0.229 -8.400 -0.540
113 HG3 LYS 18 HG1 LYS 18 0.369 -9.376 0.801
114 HD2 LYS 18 HD2 LYS 18 -1.209 -8.128 2.287
115 HD3 LYS 18 HD1 LYS 18 -1.895 -7.382 0.840
116 HE2 LYS 18 HE2 LYS 18 -1.805 -10.341 1.467
117 HE3 LYS 18 HE1 LYS 18 -3.225 -9.308 1.558
118 HZ1 LYS 18 HZ1 LYS 18 -3.088 -9.000 -0.868
119 HZ2 LYS 18 HZ2 LYS 18 -3.219 -10.603 -0.458
120 HZ3 LYS 18 HZ3 LYS 18 -1.730 -10.006 -0.929
121 H ASN 19 HN ASN 19 1.497 -3.873 -0.697
122 HA ASN 19 HA ASN 19 3.372 -3.226 1.482
123 HB2 ASN 19 HB2 ASN 19 4.438 -3.975 -0.648
124 HB3 ASN 19 HB1 ASN 19 3.663 -2.628 -1.471
125 HD21 ASN 19 HD21 ASN 19 5.599 -1.674 -2.073
126 HD22 ASN 19 HD22 ASN 19 6.654 -0.944 -0.923
127 H CYS 20 HN CYS 20 2.448 -1.684 2.616
128 HA CYS 20 HA CYS 20 1.166 0.549 1.218
129 HB2 CYS 20 HB2 CYS 20 -0.236 -0.639 2.867
130 HB3 CYS 20 HB1 CYS 20 0.982 -0.371 4.106
131 H GLY 21 HN GLY 21 2.446 2.277 0.999
132 HA2 GLY 21 HA2 GLY 21 5.003 2.341 2.364
133 HA3 GLY 21 HA1 GLY 21 4.442 3.387 1.078
134 H TRP 22 HN TRP 22 5.817 4.668 2.820
135 HA TRP 22 HA TRP 22 4.329 5.644 5.057
136 HB2 TRP 22 HB2 TRP 22 6.300 7.178 5.256
137 HB3 TRP 22 HB1 TRP 22 6.692 5.469 5.367
138 HD1 TRP 22 HD1 TRP 22 6.306 7.436 2.037
139 HE1 TRP 22 HE1 TRP 22 8.559 7.382 0.799
140 HE3 TRP 22 HE3 TRP 22 9.162 5.170 5.612
141 HZ2 TRP 22 HZ2 TRP 22 11.186 6.520 1.266
142 HZ3 TRP 22 HZ3 TRP 22 11.539 4.773 5.138
143 HH2 TRP 22 HH2 TRP 22 12.527 5.436 3.007
144 H ASN 23 HN ASN 23 4.049 6.101 1.925
145 HA ASN 23 HA ASN 23 3.493 8.962 1.931
146 HB2 ASN 23 HB2 ASN 23 3.238 8.670 -0.495
147 HB3 ASN 23 HB1 ASN 23 4.793 8.050 0.045
148 HD21 ASN 23 HD21 ASN 23 3.429 7.390 -2.369
149 HD22 ASN 23 HD22 ASN 23 3.120 5.685 -2.338
150 H PHE 24 HN PHE 24 2.044 6.275 2.907
151 HA PHE 24 HA PHE 24 -0.022 5.653 3.429
152 HB2 PHE 24 HB2 PHE 24 -0.711 8.468 2.588
153 HB3 PHE 24 HB1 PHE 24 -1.916 7.341 3.196
154 HD1 PHE 24 HD1 PHE 24 0.937 9.450 4.049
155 HD2 PHE 24 HD2 PHE 24 -1.909 6.653 5.514
156 HE1 PHE 24 HE1 PHE 24 1.498 10.095 6.359
157 HE2 PHE 24 HE2 PHE 24 -1.354 7.289 7.826
158 HZ PHE 24 HZ PHE 24 0.353 9.012 8.250
159 H LYS 25 HN LYS 25 1.088 5.285 0.711
160 HA LYS 25 HA LYS 25 -1.464 4.594 -0.513
161 HB2 LYS 25 HB2 LYS 25 0.944 5.754 -1.873
162 HB3 LYS 25 HB1 LYS 25 -0.356 4.945 -2.734
163 HG2 LYS 25 HG2 LYS 25 -1.931 6.616 -1.980
164 HG3 LYS 25 HG1 LYS 25 -0.667 7.398 -1.022
165 HD2 LYS 25 HD2 LYS 25 0.606 7.823 -3.025
166 HD3 LYS 25 HD1 LYS 25 -0.627 7.031 -4.008
167 HE2 LYS 25 HE2 LYS 25 -2.232 8.718 -3.420
168 HE3 LYS 25 HE1 LYS 25 -1.098 9.446 -2.281
169 HZ1 LYS 25 HZ1 LYS 25 -0.786 9.335 -5.238
170 HZ2 LYS 25 HZ2 LYS 25 0.381 9.846 -4.172
171 HZ3 LYS 25 HZ3 LYS 25 -1.054 10.724 -4.302
172 H CYS 26 HN CYS 26 -1.493 2.773 -1.673
173 HA CYS 26 HA CYS 26 0.285 0.711 -0.894
174 HB2 CYS 26 HB2 CYS 26 -1.853 0.881 -2.990
175 HB3 CYS 26 HB1 CYS 26 -1.036 -0.630 -2.561
176 H ASN 27 HN ASN 27 2.141 0.177 -1.802
177 HA ASN 27 HA ASN 27 2.837 1.387 -4.408
178 HB2 ASN 27 HB2 ASN 27 4.615 0.878 -2.010
179 HB3 ASN 27 HB1 ASN 27 5.170 1.490 -3.559
180 HD21 ASN 27 HD21 ASN 27 5.437 2.649 -0.931
181 HD22 ASN 27 HD22 ASN 27 4.636 4.174 -0.975
182 HA HYP 28 HA HYP 28 4.135 -2.872 -5.287
183 HB2 HYP 28 HB1 HYP 28 4.774 -2.768 -7.508
184 HB3 HYP 28 HB2 HYP 28 6.212 -1.837 -7.092
185 HG HYP 28 HG HYP 28 4.994 -0.214 -8.248
186 HD22 HYP 28 HD11 HYP 28 3.475 0.858 -6.304
187 HD23 HYP 28 HD12 HYP 28 5.238 0.800 -6.090
188 HD1 HYP 28 HD2 HYP 28 2.560 -0.365 -7.388
189 HA HYP 29 HA HYP 29 7.662 -2.824 -2.729
190 HB2 HYP 29 HB1 HYP 29 6.759 -4.611 -1.728
191 HB3 HYP 29 HB2 HYP 29 7.957 -5.572 -2.600
192 HG HYP 29 HG HYP 29 6.156 -6.527 -3.657
193 HD22 HYP 29 HD11 HYP 29 5.070 -4.652 -5.271
194 HD23 HYP 29 HD12 HYP 29 6.750 -5.179 -5.538
195 HD1 HYP 29 HD2 HYP 29 4.203 -5.614 -3.616
196 H ASN 30 HN ASN 30 9.751 -3.570 -2.260
197 HA ASN 30 HA ASN 30 11.354 -4.448 -4.552
198 HB2 ASN 30 HB2 ASN 30 13.279 -3.280 -3.473
199 HB3 ASN 30 HB1 ASN 30 11.987 -2.159 -3.865
200 HD21 ASN 30 HD21 ASN 30 10.823 -1.215 -2.189
201 HD22 ASN 30 HD22 ASN 30 11.371 -1.220 -0.554
202 H GLN 31 HN GLN 31 9.779 -5.603 -2.219
203 HA GLN 31 HA GLN 31 11.818 -7.168 -0.871
204 HB2 GLN 31 HB2 GLN 31 8.807 -7.199 -0.452
205 HB3 GLN 31 HB1 GLN 31 10.002 -7.982 0.561
206 HG2 GLN 31 HG2 GLN 31 9.472 -6.138 1.821
207 HG3 GLN 31 HG1 GLN 31 10.871 -5.545 0.935
208 HE21 GLN 31 HE21 GLN 31 7.439 -5.344 1.333
209 HE22 GLN 31 HE22 GLN 31 7.206 -3.878 0.461
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 -11.976 -4.612 -3.766
2 H2 GLY 1 HT2 GLY 1 -12.437 -5.312 -2.318
3 H3 GLY 1 HT3 GLY 1 -13.023 -5.952 -3.770
4 HA2 GLY 1 HA1 GLY 1 -11.297 -7.336 -2.851
5 HA3 GLY 1 HA2 GLY 1 -10.758 -6.584 -4.351
6 H CYS 2 HN CYS 2 -8.586 -6.413 -3.935
7 HA CYS 2 HA CYS 2 -7.659 -5.385 -1.419
8 HB2 CYS 2 HB2 CYS 2 -5.426 -5.543 -2.526
9 HB3 CYS 2 HB1 CYS 2 -6.313 -7.058 -2.472
10 H ILE 3 HN ILE 3 -6.436 -3.443 -1.185
11 HA ILE 3 HA ILE 3 -7.623 -1.276 -2.544
12 HB ILE 3 HB ILE 3 -5.135 -1.190 -0.790
13 HG12 ILE 3 HG12 ILE 3 -8.036 -0.768 -0.008
14 HG13 ILE 3 HG11 ILE 3 -7.107 -2.218 0.351
15 HG21 ILE 3 HG21 ILE 3 -5.465 0.819 -2.152
16 HG22 ILE 3 HG22 ILE 3 -5.767 1.166 -0.450
17 HG23 ILE 3 HG23 ILE 3 -7.119 0.960 -1.561
18 HD11 ILE 3 HD11 ILE 3 -6.509 0.557 1.358
19 HD12 ILE 3 HD12 ILE 3 -5.592 -0.899 1.741
20 HD13 ILE 3 HD13 ILE 3 -7.263 -0.742 2.282
21 H ALA 4 HN ALA 4 -7.085 -0.355 -4.323
22 HA ALA 4 HA ALA 4 -5.229 -1.364 -6.134
23 HB1 ALA 4 HB1 ALA 4 -6.524 1.356 -6.103
24 HB2 ALA 4 HB2 ALA 4 -7.224 -0.110 -6.787
25 HB3 ALA 4 HB3 ALA 4 -5.764 0.585 -7.494
26 H THR 5 HN THR 5 -3.247 -0.663 -6.805
27 HA THR 5 HA THR 5 -1.805 0.649 -4.777
28 HB THR 5 HB THR 5 0.158 0.245 -6.161
29 HG1 THR 5 HG1 THR 5 -1.319 0.092 -8.211
30 HG21 THR 5 HG21 THR 5 0.094 -2.209 -5.877
31 HG22 THR 5 HG22 THR 5 -1.646 -2.101 -5.605
32 HG23 THR 5 HG23 THR 5 -0.526 -1.332 -4.480
33 H GLY 6 HN GLY 6 -0.805 2.536 -4.776
34 HA2 GLY 6 HA2 GLY 6 -0.299 4.666 -5.633
35 HA3 GLY 6 HA1 GLY 6 -1.464 4.403 -6.937
36 H SER 7 HN SER 7 -3.331 3.247 -4.865
37 HA SER 7 HA SER 7 -4.605 5.708 -4.161
38 HB2 SER 7 HB2 SER 7 -5.401 2.837 -3.681
39 HB3 SER 7 HB1 SER 7 -6.450 4.253 -3.553
40 HG SER 7 HG SER 7 -6.717 4.218 -5.560
41 H PHE 8 HN PHE 8 -5.471 5.920 -1.959
42 HA PHE 8 HA PHE 8 -3.441 5.940 -0.022
43 HB2 PHE 8 HB2 PHE 8 -5.197 7.594 0.002
44 HB3 PHE 8 HB1 PHE 8 -6.431 6.358 0.151
45 HD1 PHE 8 HD1 PHE 8 -3.564 7.892 1.955
46 HD2 PHE 8 HD2 PHE 8 -7.210 5.731 2.252
47 HE1 PHE 8 HE1 PHE 8 -3.525 8.170 4.397
48 HE2 PHE 8 HE2 PHE 8 -7.169 5.999 4.698
49 HZ PHE 8 HZ PHE 8 -5.328 7.219 5.768
50 H CYS 9 HN CYS 9 -2.893 4.544 1.526
51 HA CYS 9 HA CYS 9 -4.540 2.130 1.871
52 HB2 CYS 9 HB2 CYS 9 -2.434 0.994 2.516
53 HB3 CYS 9 HB1 CYS 9 -2.443 1.561 0.853
54 H THR 10 HN THR 10 -5.084 1.500 3.907
55 HA THR 10 HA THR 10 -4.281 3.204 6.110
56 HB THR 10 HB THR 10 -6.073 1.746 7.252
57 HG1 THR 10 HG1 THR 10 -7.531 1.104 5.216
58 HG21 THR 10 HG21 THR 10 -6.853 3.541 4.940
59 HG22 THR 10 HG22 THR 10 -6.426 4.083 6.554
60 HG23 THR 10 HG23 THR 10 -7.889 3.122 6.309
61 H LEU 11 HN LEU 11 -4.340 -0.142 5.024
62 HA LEU 11 HA LEU 11 -2.257 -0.825 6.965
63 HB2 LEU 11 HB2 LEU 11 -4.632 -2.527 6.188
64 HB3 LEU 11 HB1 LEU 11 -3.286 -3.064 7.167
65 HG LEU 11 HG LEU 11 -5.250 -0.910 7.953
66 HD11 LEU 11 HD11 LEU 11 -6.085 -2.567 9.546
67 HD12 LEU 11 HD12 LEU 11 -4.985 -3.769 8.874
68 HD13 LEU 11 HD13 LEU 11 -6.287 -3.113 7.882
69 HD21 LEU 11 HD21 LEU 11 -3.049 -0.574 8.957
70 HD22 LEU 11 HD22 LEU 11 -3.033 -2.249 9.508
71 HD23 LEU 11 HD23 LEU 11 -4.212 -1.116 10.168
72 H SER 12 HN SER 12 -0.768 -2.336 6.225
73 HA SER 12 HA SER 12 -0.043 -2.249 3.551
74 HB2 SER 12 HB2 SER 12 1.518 -4.100 4.310
75 HB3 SER 12 HB1 SER 12 1.595 -2.567 5.190
76 HG SER 12 HG SER 12 1.485 -4.011 6.738
77 H LYS 13 HN LYS 13 -1.312 -4.970 5.388
78 HA LYS 13 HA LYS 13 -1.522 -6.705 3.204
79 HB2 LYS 13 HB2 LYS 13 -2.767 -8.228 4.604
80 HB3 LYS 13 HB1 LYS 13 -1.421 -7.571 5.498
81 HG2 LYS 13 HG2 LYS 13 -4.276 -6.608 5.793
82 HG3 LYS 13 HG1 LYS 13 -3.568 -7.865 6.791
83 HD2 LYS 13 HD2 LYS 13 -2.615 -4.994 6.617
84 HD3 LYS 13 HD1 LYS 13 -3.600 -5.668 7.903
85 HE2 LYS 13 HE2 LYS 13 -0.785 -6.543 7.210
86 HE3 LYS 13 HE1 LYS 13 -1.233 -5.496 8.546
87 HZ1 LYS 13 HZ1 LYS 13 -2.057 -8.344 8.235
88 HZ2 LYS 13 HZ2 LYS 13 -2.471 -7.348 9.536
89 HZ3 LYS 13 HZ3 LYS 13 -0.867 -7.764 9.253
90 H GLY 14 HN GLY 14 -3.351 -4.022 3.680
91 HA2 GLY 14 HA2 GLY 14 -5.825 -5.088 2.614
92 HA3 GLY 14 HA1 GLY 14 -5.476 -3.392 2.958
93 H CYS 15 HN CYS 15 -2.905 -3.666 1.507
94 HA CYS 15 HA CYS 15 -3.870 -2.807 -1.056
95 HB2 CYS 15 HB2 CYS 15 -1.062 -3.253 -0.046
96 HB3 CYS 15 HB1 CYS 15 -1.504 -2.409 -1.524
97 H CYS 16 HN CYS 16 -3.431 -3.791 -3.049
98 HA CYS 16 HA CYS 16 -3.548 -6.561 -3.219
99 HB2 CYS 16 HB2 CYS 16 -2.439 -4.647 -5.272
100 HB3 CYS 16 HB1 CYS 16 -3.035 -6.273 -5.589
101 H THR 17 HN THR 17 -0.724 -4.405 -3.385
102 HA THR 17 HA THR 17 1.144 -6.476 -3.903
103 HB THR 17 HB THR 17 2.675 -4.505 -3.434
104 HG1 THR 17 HG1 THR 17 1.742 -2.630 -3.017
105 HG21 THR 17 HG21 THR 17 2.034 -3.407 -5.553
106 HG22 THR 17 HG22 THR 17 0.494 -4.270 -5.521
107 HG23 THR 17 HG23 THR 17 2.001 -5.165 -5.701
108 H LYS 18 HN LYS 18 -0.549 -5.706 -1.174
109 HA LYS 18 HA LYS 18 -0.384 -6.051 1.052
110 HB2 LYS 18 HB2 LYS 18 2.128 -7.625 0.419
111 HB3 LYS 18 HB1 LYS 18 1.159 -7.747 1.876
112 HG2 LYS 18 HG2 LYS 18 0.317 -8.543 -0.898
113 HG3 LYS 18 HG1 LYS 18 0.792 -9.639 0.396
114 HD2 LYS 18 HD2 LYS 18 -1.141 -8.882 1.715
115 HD3 LYS 18 HD1 LYS 18 -1.602 -7.796 0.399
116 HE2 LYS 18 HE2 LYS 18 -1.411 -10.802 0.233
117 HE3 LYS 18 HE1 LYS 18 -2.899 -9.863 0.322
118 HZ1 LYS 18 HZ1 LYS 18 -0.911 -9.708 -1.894
119 HZ2 LYS 18 HZ2 LYS 18 -2.360 -8.866 -1.813
120 HZ3 LYS 18 HZ3 LYS 18 -2.373 -10.535 -1.946
121 H ASN 19 HN ASN 19 1.189 -3.869 -0.349
122 HA ASN 19 HA ASN 19 2.962 -3.172 1.893
123 HB2 ASN 19 HB2 ASN 19 4.324 -3.958 0.030
124 HB3 ASN 19 HB1 ASN 19 3.552 -2.790 -1.034
125 HD21 ASN 19 HD21 ASN 19 5.541 -1.879 -1.499
126 HD22 ASN 19 HD22 ASN 19 6.369 -0.874 -0.390
127 H CYS 20 HN CYS 20 2.253 -1.519 2.852
128 HA CYS 20 HA CYS 20 0.871 0.614 1.389
129 HB2 CYS 20 HB2 CYS 20 -0.346 -0.281 3.342
130 HB3 CYS 20 HB1 CYS 20 1.060 -0.012 4.366
131 H GLY 21 HN GLY 21 2.039 2.433 1.033
132 HA2 GLY 21 HA2 GLY 21 4.769 2.385 1.917
133 HA3 GLY 21 HA1 GLY 21 4.054 3.527 0.790
134 H TRP 22 HN TRP 22 5.828 4.336 2.698
135 HA TRP 22 HA TRP 22 4.796 5.342 5.073
136 HB2 TRP 22 HB2 TRP 22 6.689 6.863 4.988
137 HB3 TRP 22 HB1 TRP 22 7.250 5.258 4.677
138 HD1 TRP 22 HD1 TRP 22 7.292 4.912 1.625
139 HE1 TRP 22 HE1 TRP 22 8.487 6.552 0.049
140 HE3 TRP 22 HE3 TRP 22 7.518 8.832 4.716
141 HZ2 TRP 22 HZ2 TRP 22 9.424 9.228 0.130
142 HZ3 TRP 22 HZ3 TRP 22 8.594 10.977 3.937
143 HH2 TRP 22 HH2 TRP 22 9.525 11.133 1.679
144 H ASN 23 HN ASN 23 4.250 6.275 1.892
145 HA ASN 23 HA ASN 23 3.444 9.004 2.484
146 HB2 ASN 23 HB2 ASN 23 3.222 9.222 0.065
147 HB3 ASN 23 HB1 ASN 23 4.795 8.555 0.473
148 HD21 ASN 23 HD21 ASN 23 3.492 8.415 -2.012
149 HD22 ASN 23 HD22 ASN 23 3.257 6.762 -2.422
150 H PHE 24 HN PHE 24 2.157 6.087 2.882
151 HA PHE 24 HA PHE 24 0.176 5.196 3.121
152 HB2 PHE 24 HB2 PHE 24 -0.614 8.082 3.268
153 HB3 PHE 24 HB1 PHE 24 -1.847 6.823 3.302
154 HD1 PHE 24 HD1 PHE 24 -2.024 5.289 5.159
155 HD2 PHE 24 HD2 PHE 24 0.932 8.357 5.117
156 HE1 PHE 24 HE1 PHE 24 -1.631 4.935 7.547
157 HE2 PHE 24 HE2 PHE 24 1.325 8.002 7.519
158 HZ PHE 24 HZ PHE 24 0.044 6.286 8.734
159 H LYS 25 HN LYS 25 1.211 5.298 0.553
160 HA LYS 25 HA LYS 25 -1.322 4.883 -0.868
161 HB2 LYS 25 HB2 LYS 25 1.369 5.683 -1.885
162 HB3 LYS 25 HB1 LYS 25 0.098 5.111 -2.964
163 HG2 LYS 25 HG2 LYS 25 -1.271 7.047 -2.313
164 HG3 LYS 25 HG1 LYS 25 0.023 7.583 -1.235
165 HD2 LYS 25 HD2 LYS 25 1.533 7.808 -3.133
166 HD3 LYS 25 HD1 LYS 25 0.270 7.232 -4.219
167 HE2 LYS 25 HE2 LYS 25 -1.075 9.167 -3.769
168 HE3 LYS 25 HE1 LYS 25 0.037 9.700 -2.511
169 HZ1 LYS 25 HZ1 LYS 25 0.359 10.908 -4.603
170 HZ2 LYS 25 HZ2 LYS 25 0.739 9.459 -5.392
171 HZ3 LYS 25 HZ3 LYS 25 1.724 10.037 -4.160
172 H CYS 26 HN CYS 26 -1.505 2.889 -1.860
173 HA CYS 26 HA CYS 26 0.152 0.809 -0.878
174 HB2 CYS 26 HB2 CYS 26 -1.957 0.916 -3.005
175 HB3 CYS 26 HB1 CYS 26 -1.173 -0.607 -2.538
176 H ASN 27 HN ASN 27 2.006 0.161 -1.629
177 HA ASN 27 HA ASN 27 2.904 1.203 -4.233
178 HB2 ASN 27 HB2 ASN 27 4.352 0.955 -1.601
179 HB3 ASN 27 HB1 ASN 27 5.204 1.275 -3.111
180 HD21 ASN 27 HD21 ASN 27 5.183 3.002 -0.874
181 HD22 ASN 27 HD22 ASN 27 4.376 4.468 -1.313
182 HA HYP 28 HA HYP 28 4.122 -2.880 -5.664
183 HB2 HYP 28 HB1 HYP 28 6.023 -2.674 -6.984
184 HB3 HYP 28 HB2 HYP 28 6.984 -2.037 -5.642
185 HG HYP 28 HG HYP 28 6.609 -0.142 -7.063
186 HD22 HYP 28 HD11 HYP 28 4.652 0.962 -5.667
187 HD23 HYP 28 HD12 HYP 28 6.070 0.373 -4.763
188 HD1 HYP 28 HD2 HYP 28 3.918 -0.321 -7.043
189 HA HYP 29 HA HYP 29 4.767 -5.034 -1.935
190 HB2 HYP 29 HB1 HYP 29 4.288 -7.055 -2.848
191 HB3 HYP 29 HB2 HYP 29 6.030 -7.306 -2.976
192 HG HYP 29 HG HYP 29 5.675 -7.310 -5.257
193 HD22 HYP 29 HD11 HYP 29 5.037 -4.775 -5.979
194 HD23 HYP 29 HD12 HYP 29 6.619 -5.120 -5.247
195 HD1 HYP 29 HD2 HYP 29 3.696 -6.031 -5.918
196 H ASN 30 HN ASN 30 6.184 -4.920 -0.364
197 HA ASN 30 HA ASN 30 9.040 -4.899 -1.008
198 HB2 ASN 30 HB2 ASN 30 8.322 -2.584 -0.599
199 HB3 ASN 30 HB1 ASN 30 7.621 -3.066 0.941
200 HD21 ASN 30 HD21 ASN 30 8.908 -1.722 2.131
201 HD22 ASN 30 HD22 ASN 30 10.601 -1.983 2.365
202 H GLN 31 HN GLN 31 9.555 -6.823 -0.252
203 HA GLN 31 HA GLN 31 8.632 -7.615 2.377
204 HB2 GLN 31 HB2 GLN 31 10.185 -9.096 0.237
205 HB3 GLN 31 HB1 GLN 31 9.922 -9.752 1.840
206 HG2 GLN 31 HG2 GLN 31 8.374 -10.760 0.309
207 HG3 GLN 31 HG1 GLN 31 7.480 -9.714 1.398
208 HE21 GLN 31 HE21 GLN 31 8.619 -10.159 -1.853
209 HE22 GLN 31 HE22 GLN 31 7.563 -9.029 -2.600
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 -12.290 -6.499 -1.084
2 H2 GLY 1 HT2 GLY 1 -11.529 -7.971 -0.984
3 H3 GLY 1 HT3 GLY 1 -12.812 -7.767 -2.082
4 HA2 GLY 1 HA1 GLY 1 -10.686 -7.743 -3.227
5 HA3 GLY 1 HA2 GLY 1 -11.429 -6.146 -3.285
6 H CYS 2 HN CYS 2 -9.019 -5.700 -3.696
7 HA CYS 2 HA CYS 2 -7.764 -5.148 -1.113
8 HB2 CYS 2 HB2 CYS 2 -5.569 -5.473 -2.268
9 HB3 CYS 2 HB1 CYS 2 -6.510 -6.949 -2.115
10 H ILE 3 HN ILE 3 -6.422 -3.243 -1.144
11 HA ILE 3 HA ILE 3 -7.585 -1.160 -2.708
12 HB ILE 3 HB ILE 3 -5.120 -1.028 -0.935
13 HG12 ILE 3 HG12 ILE 3 -8.013 -0.416 -0.262
14 HG13 ILE 3 HG11 ILE 3 -7.119 -1.826 0.290
15 HG21 ILE 3 HG21 ILE 3 -6.948 1.142 -1.978
16 HG22 ILE 3 HG22 ILE 3 -5.283 0.850 -2.476
17 HG23 ILE 3 HG23 ILE 3 -5.630 1.383 -0.831
18 HD11 ILE 3 HD11 ILE 3 -5.586 -0.353 1.513
19 HD12 ILE 3 HD12 ILE 3 -7.260 -0.146 2.029
20 HD13 ILE 3 HD13 ILE 3 -6.515 1.039 0.956
21 H ALA 4 HN ALA 4 -6.980 -0.492 -4.600
22 HA ALA 4 HA ALA 4 -4.982 -1.738 -6.155
23 HB1 ALA 4 HB1 ALA 4 -6.446 0.863 -6.626
24 HB2 ALA 4 HB2 ALA 4 -6.990 -0.735 -7.136
25 HB3 ALA 4 HB3 ALA 4 -5.533 -0.033 -7.838
26 H THR 5 HN THR 5 -2.950 -0.963 -6.830
27 HA THR 5 HA THR 5 -1.681 0.479 -4.791
28 HB THR 5 HB THR 5 0.350 0.175 -6.065
29 HG1 THR 5 HG1 THR 5 -0.726 0.234 -8.186
30 HG21 THR 5 HG21 THR 5 -0.387 -1.551 -4.566
31 HG22 THR 5 HG22 THR 5 0.350 -2.290 -5.990
32 HG23 THR 5 HG23 THR 5 -1.405 -2.254 -5.822
33 H GLY 6 HN GLY 6 -0.743 2.450 -4.784
34 HA2 GLY 6 HA2 GLY 6 -0.314 4.590 -5.667
35 HA3 GLY 6 HA1 GLY 6 -1.454 4.254 -6.966
36 H SER 7 HN SER 7 -3.243 3.070 -4.784
37 HA SER 7 HA SER 7 -4.592 5.572 -4.227
38 HB2 SER 7 HB2 SER 7 -5.516 2.734 -3.740
39 HB3 SER 7 HB1 SER 7 -6.514 4.190 -3.750
40 HG SER 7 HG SER 7 -5.463 2.722 -5.823
41 H PHE 8 HN PHE 8 -5.535 5.881 -2.085
42 HA PHE 8 HA PHE 8 -3.587 5.831 -0.044
43 HB2 PHE 8 HB2 PHE 8 -5.245 7.617 -0.294
44 HB3 PHE 8 HB1 PHE 8 -6.539 6.475 0.004
45 HD1 PHE 8 HD1 PHE 8 -3.611 8.117 1.571
46 HD2 PHE 8 HD2 PHE 8 -7.284 6.053 2.188
47 HE1 PHE 8 HE1 PHE 8 -3.528 8.682 3.959
48 HE2 PHE 8 HE2 PHE 8 -7.199 6.606 4.579
49 HZ PHE 8 HZ PHE 8 -5.318 7.926 5.469
50 H CYS 9 HN CYS 9 -3.286 4.486 1.593
51 HA CYS 9 HA CYS 9 -5.155 2.211 1.938
52 HB2 CYS 9 HB2 CYS 9 -3.359 0.793 2.375
53 HB3 CYS 9 HB1 CYS 9 -2.673 1.835 1.133
54 H THR 10 HN THR 10 -5.194 1.395 4.213
55 HA THR 10 HA THR 10 -4.300 3.406 6.105
56 HB THR 10 HB THR 10 -5.985 2.132 7.655
57 HG1 THR 10 HG1 THR 10 -7.218 0.724 6.683
58 HG21 THR 10 HG21 THR 10 -6.267 4.461 6.926
59 HG22 THR 10 HG22 THR 10 -7.813 3.611 6.917
60 HG23 THR 10 HG23 THR 10 -6.957 3.904 5.402
61 H LEU 11 HN LEU 11 -4.337 -0.007 5.236
62 HA LEU 11 HA LEU 11 -1.969 -0.394 6.896
63 HB2 LEU 11 HB2 LEU 11 -4.247 -2.376 6.550
64 HB3 LEU 11 HB1 LEU 11 -2.697 -2.785 7.226
65 HG LEU 11 HG LEU 11 -4.136 -2.638 9.039
66 HD11 LEU 11 HD11 LEU 11 -2.069 -1.576 9.506
67 HD12 LEU 11 HD12 LEU 11 -3.374 -0.784 10.391
68 HD13 LEU 11 HD13 LEU 11 -2.699 -0.024 8.952
69 HD21 LEU 11 HD21 LEU 11 -5.632 -0.742 9.533
70 HD22 LEU 11 HD22 LEU 11 -6.047 -1.553 8.025
71 HD23 LEU 11 HD23 LEU 11 -5.187 -0.013 7.990
72 H SER 12 HN SER 12 -0.396 -1.683 5.905
73 HA SER 12 HA SER 12 -0.268 -1.632 3.129
74 HB2 SER 12 HB2 SER 12 1.743 -3.157 3.557
75 HB3 SER 12 HB1 SER 12 1.762 -1.552 4.291
76 HG SER 12 HG SER 12 2.285 -3.556 5.597
77 H LYS 13 HN LYS 13 -1.164 -4.228 5.311
78 HA LYS 13 HA LYS 13 -1.104 -6.242 3.339
79 HB2 LYS 13 HB2 LYS 13 -2.331 -7.661 4.991
80 HB3 LYS 13 HB1 LYS 13 -0.846 -6.961 5.586
81 HG2 LYS 13 HG2 LYS 13 -2.403 -6.832 7.369
82 HG3 LYS 13 HG1 LYS 13 -2.265 -5.203 6.729
83 HD2 LYS 13 HD2 LYS 13 -4.555 -5.630 7.191
84 HD3 LYS 13 HD1 LYS 13 -4.349 -5.589 5.444
85 HE2 LYS 13 HE2 LYS 13 -5.825 -7.426 6.064
86 HE3 LYS 13 HE1 LYS 13 -4.325 -8.075 5.412
87 HZ1 LYS 13 HZ1 LYS 13 -3.588 -8.473 7.716
88 HZ2 LYS 13 HZ2 LYS 13 -5.043 -9.268 7.429
89 HZ3 LYS 13 HZ3 LYS 13 -5.023 -7.837 8.286
90 H GLY 14 HN GLY 14 -3.300 -3.763 3.681
91 HA2 GLY 14 HA2 GLY 14 -5.562 -5.260 2.625
92 HA3 GLY 14 HA1 GLY 14 -5.533 -3.546 3.023
93 H CYS 15 HN CYS 15 -2.817 -3.824 1.448
94 HA CYS 15 HA CYS 15 -3.916 -2.810 -1.019
95 HB2 CYS 15 HB2 CYS 15 -1.072 -3.249 -0.133
96 HB3 CYS 15 HB1 CYS 15 -1.580 -2.375 -1.572
97 H CYS 16 HN CYS 16 -3.508 -3.709 -3.061
98 HA CYS 16 HA CYS 16 -3.719 -6.467 -3.281
99 HB2 CYS 16 HB2 CYS 16 -2.835 -4.480 -5.354
100 HB3 CYS 16 HB1 CYS 16 -3.368 -6.125 -5.696
101 H THR 17 HN THR 17 -0.791 -4.470 -3.268
102 HA THR 17 HA THR 17 0.918 -6.656 -4.012
103 HB THR 17 HB THR 17 2.594 -4.853 -3.387
104 HG1 THR 17 HG1 THR 17 1.726 -2.825 -3.108
105 HG21 THR 17 HG21 THR 17 2.067 -3.567 -5.426
106 HG22 THR 17 HG22 THR 17 0.507 -4.393 -5.515
107 HG23 THR 17 HG23 THR 17 2.009 -5.311 -5.689
108 H LYS 18 HN LYS 18 -0.711 -5.883 -1.216
109 HA LYS 18 HA LYS 18 -0.484 -6.109 1.005
110 HB2 LYS 18 HB2 LYS 18 1.925 -7.825 0.324
111 HB3 LYS 18 HB1 LYS 18 1.193 -7.706 1.911
112 HG2 LYS 18 HG2 LYS 18 -0.143 -8.797 -0.554
113 HG3 LYS 18 HG1 LYS 18 0.577 -9.765 0.730
114 HD2 LYS 18 HD2 LYS 18 -1.026 -8.728 2.326
115 HD3 LYS 18 HD1 LYS 18 -1.780 -7.894 0.967
116 HE2 LYS 18 HE2 LYS 18 -1.565 -10.881 1.327
117 HE3 LYS 18 HE1 LYS 18 -3.019 -9.910 1.540
118 HZ1 LYS 18 HZ1 LYS 18 -1.541 -10.308 -1.010
119 HZ2 LYS 18 HZ2 LYS 18 -2.875 -9.310 -0.805
120 HZ3 LYS 18 HZ3 LYS 18 -3.036 -10.964 -0.594
121 H ASN 19 HN ASN 19 1.234 -4.141 -0.676
122 HA ASN 19 HA ASN 19 2.993 -3.347 1.529
123 HB2 ASN 19 HB2 ASN 19 4.313 -4.310 -0.322
124 HB3 ASN 19 HB1 ASN 19 3.604 -3.138 -1.426
125 HD21 ASN 19 HD21 ASN 19 5.594 -2.183 -1.952
126 HD22 ASN 19 HD22 ASN 19 6.456 -1.227 -0.812
127 H CYS 20 HN CYS 20 2.817 -1.317 2.152
128 HA CYS 20 HA CYS 20 1.818 0.751 0.385
129 HB2 CYS 20 HB2 CYS 20 -0.174 -0.095 1.775
130 HB3 CYS 20 HB1 CYS 20 0.771 0.311 3.186
131 H GLY 21 HN GLY 21 2.986 2.625 0.789
132 HA2 GLY 21 HA2 GLY 21 5.176 2.229 2.685
133 HA3 GLY 21 HA1 GLY 21 5.094 3.462 1.435
134 H TRP 22 HN TRP 22 5.981 4.552 3.535
135 HA TRP 22 HA TRP 22 4.232 5.324 5.562
136 HB2 TRP 22 HB2 TRP 22 5.878 6.931 6.117
137 HB3 TRP 22 HB1 TRP 22 6.766 5.520 5.642
138 HD1 TRP 22 HD1 TRP 22 7.182 5.877 2.574
139 HE1 TRP 22 HE1 TRP 22 8.430 7.908 1.621
140 HE3 TRP 22 HE3 TRP 22 6.683 8.956 6.513
141 HZ2 TRP 22 HZ2 TRP 22 9.130 10.524 2.466
142 HZ3 TRP 22 HZ3 TRP 22 7.667 11.255 6.414
143 HH2 TRP 22 HH2 TRP 22 8.870 12.001 4.415
144 H ASN 23 HN ASN 23 4.379 6.145 2.329
145 HA ASN 23 HA ASN 23 3.433 8.828 2.387
146 HB2 ASN 23 HB2 ASN 23 3.165 8.568 -0.030
147 HB3 ASN 23 HB1 ASN 23 4.712 7.900 0.470
148 HD21 ASN 23 HD21 ASN 23 3.221 7.338 -1.948
149 HD22 ASN 23 HD22 ASN 23 2.900 5.641 -1.931
150 H PHE 24 HN PHE 24 2.026 5.828 2.977
151 HA PHE 24 HA PHE 24 -0.029 5.138 3.485
152 HB2 PHE 24 HB2 PHE 24 -0.800 8.028 3.085
153 HB3 PHE 24 HB1 PHE 24 -1.989 6.791 3.455
154 HD1 PHE 24 HD1 PHE 24 -1.947 5.652 5.621
155 HD2 PHE 24 HD2 PHE 24 0.661 8.894 4.749
156 HE1 PHE 24 HE1 PHE 24 -1.525 5.946 8.023
157 HE2 PHE 24 HE2 PHE 24 1.096 9.199 7.154
158 HZ PHE 24 HZ PHE 24 -0.004 7.721 8.796
159 H LYS 25 HN LYS 25 1.079 5.283 0.726
160 HA LYS 25 HA LYS 25 -1.442 4.510 -0.473
161 HB2 LYS 25 HB2 LYS 25 0.733 6.075 -1.850
162 HB3 LYS 25 HB1 LYS 25 -0.436 5.129 -2.756
163 HG2 LYS 25 HG2 LYS 25 -1.380 7.258 -2.810
164 HG3 LYS 25 HG1 LYS 25 -2.201 6.511 -1.462
165 HD2 LYS 25 HD2 LYS 25 -1.622 8.641 -0.689
166 HD3 LYS 25 HD1 LYS 25 -0.434 7.542 0.013
167 HE2 LYS 25 HE2 LYS 25 0.759 9.469 -0.756
168 HE3 LYS 25 HE1 LYS 25 1.128 8.149 -1.856
169 HZ1 LYS 25 HZ1 LYS 25 0.678 10.210 -3.053
170 HZ2 LYS 25 HZ2 LYS 25 -0.843 10.315 -2.348
171 HZ3 LYS 25 HZ3 LYS 25 -0.515 9.072 -3.422
172 H CYS 26 HN CYS 26 -1.470 2.745 -1.744
173 HA CYS 26 HA CYS 26 0.235 0.701 -0.869
174 HB2 CYS 26 HB2 CYS 26 -1.834 0.863 -3.010
175 HB3 CYS 26 HB1 CYS 26 -1.104 -0.669 -2.486
176 H ASN 27 HN ASN 27 2.134 0.135 -1.609
177 HA ASN 27 HA ASN 27 3.087 1.322 -4.113
178 HB2 ASN 27 HB2 ASN 27 4.600 0.368 -1.667
179 HB3 ASN 27 HB1 ASN 27 5.385 0.824 -3.167
180 HD21 ASN 27 HD21 ASN 27 5.684 1.955 -0.536
181 HD22 ASN 27 HD22 ASN 27 5.272 3.622 -0.661
182 HA HYP 28 HA HYP 28 3.737 -2.757 -5.943
183 HB2 HYP 28 HB1 HYP 28 5.163 -2.352 -7.756
184 HB3 HYP 28 HB2 HYP 28 6.302 -1.424 -6.771
185 HG HYP 28 HG HYP 28 5.114 0.251 -7.958
186 HD22 HYP 28 HD11 HYP 28 3.173 0.686 -6.068
187 HD23 HYP 28 HD12 HYP 28 4.879 1.030 -5.733
188 HD1 HYP 28 HD2 HYP 28 2.810 0.156 -7.887
189 HA HYP 29 HA HYP 29 6.582 -4.914 -3.329
190 HB2 HYP 29 HB1 HYP 29 6.330 -7.045 -4.140
191 HB3 HYP 29 HB2 HYP 29 7.608 -6.730 -5.318
192 HG HYP 29 HG HYP 29 5.808 -6.985 -6.803
193 HD22 HYP 29 HD11 HYP 29 4.718 -4.555 -6.889
194 HD23 HYP 29 HD12 HYP 29 6.475 -4.680 -7.134
195 HD1 HYP 29 HD2 HYP 29 3.767 -5.974 -6.066
196 H ASN 30 HN ASN 30 8.193 -3.509 -2.846
197 HA ASN 30 HA ASN 30 10.315 -3.088 -4.822
198 HB2 ASN 30 HB2 ASN 30 9.594 -1.460 -2.375
199 HB3 ASN 30 HB1 ASN 30 10.949 -1.114 -3.441
200 HD21 ASN 30 HD21 ASN 30 8.649 0.559 -2.810
201 HD22 ASN 30 HD22 ASN 30 7.877 0.876 -4.320
202 H GLN 31 HN GLN 31 9.718 -4.996 -2.255
203 HA GLN 31 HA GLN 31 12.572 -5.252 -1.683
204 HB2 GLN 31 HB2 GLN 31 10.307 -5.470 0.321
205 HB3 GLN 31 HB1 GLN 31 11.962 -5.956 0.648
206 HG2 GLN 31 HG2 GLN 31 12.683 -3.616 0.268
207 HG3 GLN 31 HG1 GLN 31 10.999 -3.167 0.035
208 HE21 GLN 31 HE21 GLN 31 10.043 -4.981 2.150
209 HE22 GLN 31 HE22 GLN 31 10.488 -4.228 3.628
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 -12.626 -5.713 -1.452
2 H2 GLY 1 HT2 GLY 1 -11.987 -7.139 -0.814
3 H3 GLY 1 HT3 GLY 1 -13.108 -7.215 -2.080
4 HA2 GLY 1 HA1 GLY 1 -10.863 -7.590 -2.873
5 HA3 GLY 1 HA2 GLY 1 -11.531 -6.098 -3.530
6 H CYS 2 HN CYS 2 -8.805 -6.426 -3.432
7 HA CYS 2 HA CYS 2 -7.889 -5.125 -1.009
8 HB2 CYS 2 HB2 CYS 2 -5.612 -5.526 -2.023
9 HB3 CYS 2 HB1 CYS 2 -6.542 -6.981 -1.690
10 H ILE 3 HN ILE 3 -6.403 -3.265 -1.221
11 HA ILE 3 HA ILE 3 -7.579 -1.297 -2.954
12 HB ILE 3 HB ILE 3 -5.192 -1.028 -1.087
13 HG12 ILE 3 HG12 ILE 3 -8.095 -0.329 -0.610
14 HG13 ILE 3 HG11 ILE 3 -7.264 -1.718 0.084
15 HG21 ILE 3 HG21 ILE 3 -5.678 1.385 -1.193
16 HG22 ILE 3 HG22 ILE 3 -6.958 1.070 -2.367
17 HG23 ILE 3 HG23 ILE 3 -5.279 0.725 -2.780
18 HD11 ILE 3 HD11 ILE 3 -6.607 1.176 0.586
19 HD12 ILE 3 HD12 ILE 3 -5.772 -0.208 1.292
20 HD13 ILE 3 HD13 ILE 3 -7.466 0.094 1.684
21 H ALA 4 HN ALA 4 -6.870 -0.766 -4.895
22 HA ALA 4 HA ALA 4 -4.648 -2.085 -6.052
23 HB1 ALA 4 HB1 ALA 4 -6.235 0.254 -7.110
24 HB2 ALA 4 HB2 ALA 4 -6.624 -1.446 -7.372
25 HB3 ALA 4 HB3 ALA 4 -5.139 -0.767 -8.041
26 H THR 5 HN THR 5 -2.766 -1.090 -6.883
27 HA THR 5 HA THR 5 -1.640 0.521 -4.908
28 HB THR 5 HB THR 5 0.389 0.396 -6.168
29 HG1 THR 5 HG1 THR 5 0.371 -0.291 -8.256
30 HG21 THR 5 HG21 THR 5 -0.206 -1.420 -4.735
31 HG22 THR 5 HG22 THR 5 0.600 -2.047 -6.174
32 HG23 THR 5 HG23 THR 5 -1.152 -2.170 -6.020
33 H GLY 6 HN GLY 6 -0.975 2.575 -4.913
34 HA2 GLY 6 HA2 GLY 6 -0.657 4.700 -5.989
35 HA3 GLY 6 HA1 GLY 6 -1.955 4.267 -7.099
36 H SER 7 HN SER 7 -3.587 3.132 -4.911
37 HA SER 7 HA SER 7 -4.772 5.624 -4.148
38 HB2 SER 7 HB2 SER 7 -5.671 2.777 -3.734
39 HB3 SER 7 HB1 SER 7 -6.640 4.217 -3.402
40 HG SER 7 HG SER 7 -5.819 4.606 -5.773
41 H PHE 8 HN PHE 8 -5.558 5.964 -1.987
42 HA PHE 8 HA PHE 8 -3.516 5.907 -0.061
43 HB2 PHE 8 HB2 PHE 8 -5.121 7.711 -0.135
44 HB3 PHE 8 HB1 PHE 8 -6.453 6.596 0.120
45 HD1 PHE 8 HD1 PHE 8 -7.144 6.030 2.290
46 HD2 PHE 8 HD2 PHE 8 -3.467 8.068 1.715
47 HE1 PHE 8 HE1 PHE 8 -6.964 6.377 4.712
48 HE2 PHE 8 HE2 PHE 8 -3.287 8.425 4.141
49 HZ PHE 8 HZ PHE 8 -5.029 7.579 5.639
50 H CYS 9 HN CYS 9 -3.031 4.477 1.441
51 HA CYS 9 HA CYS 9 -4.938 2.309 2.029
52 HB2 CYS 9 HB2 CYS 9 -2.951 0.908 2.461
53 HB3 CYS 9 HB1 CYS 9 -3.055 1.456 0.790
54 H THR 10 HN THR 10 -5.058 1.625 4.182
55 HA THR 10 HA THR 10 -3.693 3.338 6.118
56 HB THR 10 HB THR 10 -5.480 2.487 7.701
57 HG1 THR 10 HG1 THR 10 -7.029 1.244 6.970
58 HG21 THR 10 HG21 THR 10 -5.658 4.699 6.661
59 HG22 THR 10 HG22 THR 10 -7.252 3.951 6.800
60 HG23 THR 10 HG23 THR 10 -6.421 3.980 5.248
61 H LEU 11 HN LEU 11 -4.238 0.095 5.011
62 HA LEU 11 HA LEU 11 -2.491 -0.977 7.105
63 HB2 LEU 11 HB2 LEU 11 -4.790 -2.334 5.693
64 HB3 LEU 11 HB1 LEU 11 -3.728 -3.086 6.857
65 HG LEU 11 HG LEU 11 -5.632 -0.823 7.475
66 HD11 LEU 11 HD11 LEU 11 -6.934 -2.526 8.651
67 HD12 LEU 11 HD12 LEU 11 -5.822 -3.770 8.079
68 HD13 LEU 11 HD13 LEU 11 -6.819 -2.881 6.927
69 HD21 LEU 11 HD21 LEU 11 -5.119 -1.353 9.808
70 HD22 LEU 11 HD22 LEU 11 -3.672 -0.851 8.933
71 HD23 LEU 11 HD23 LEU 11 -3.949 -2.560 9.277
72 H SER 12 HN SER 12 -0.898 -2.379 6.404
73 HA SER 12 HA SER 12 0.121 -2.220 3.818
74 HB2 SER 12 HB2 SER 12 1.480 -4.175 4.717
75 HB3 SER 12 HB1 SER 12 1.556 -2.666 5.641
76 HG SER 12 HG SER 12 1.196 -4.552 6.928
77 H LYS 13 HN LYS 13 -1.351 -4.893 5.469
78 HA LYS 13 HA LYS 13 -1.602 -6.608 3.287
79 HB2 LYS 13 HB2 LYS 13 -3.103 -7.973 4.623
80 HB3 LYS 13 HB1 LYS 13 -1.709 -7.483 5.552
81 HG2 LYS 13 HG2 LYS 13 -4.406 -6.124 5.773
82 HG3 LYS 13 HG1 LYS 13 -3.957 -7.509 6.754
83 HD2 LYS 13 HD2 LYS 13 -2.542 -4.809 6.752
84 HD3 LYS 13 HD1 LYS 13 -3.684 -5.373 7.942
85 HE2 LYS 13 HE2 LYS 13 -1.064 -6.763 7.360
86 HE3 LYS 13 HE1 LYS 13 -1.314 -5.613 8.661
87 HZ1 LYS 13 HZ1 LYS 13 -2.763 -8.204 8.375
88 HZ2 LYS 13 HZ2 LYS 13 -2.973 -7.090 9.615
89 HZ3 LYS 13 HZ3 LYS 13 -1.503 -7.878 9.445
90 H GLY 14 HN GLY 14 -3.329 -3.779 3.770
91 HA2 GLY 14 HA2 GLY 14 -5.849 -4.643 2.674
92 HA3 GLY 14 HA1 GLY 14 -5.332 -2.982 2.951
93 H CYS 15 HN CYS 15 -2.841 -3.474 1.491
94 HA CYS 15 HA CYS 15 -3.771 -2.690 -1.102
95 HB2 CYS 15 HB2 CYS 15 -1.004 -3.244 -0.073
96 HB3 CYS 15 HB1 CYS 15 -1.387 -2.471 -1.608
97 H CYS 16 HN CYS 16 -3.499 -3.783 -3.028
98 HA CYS 16 HA CYS 16 -3.589 -6.577 -3.000
99 HB2 CYS 16 HB2 CYS 16 -2.950 -4.699 -5.263
100 HB3 CYS 16 HB1 CYS 16 -3.350 -6.402 -5.468
101 H THR 17 HN THR 17 -0.797 -4.344 -3.436
102 HA THR 17 HA THR 17 1.004 -6.495 -3.973
103 HB THR 17 HB THR 17 2.656 -4.614 -3.589
104 HG1 THR 17 HG1 THR 17 1.757 -2.550 -3.504
105 HG21 THR 17 HG21 THR 17 0.477 -4.246 -5.642
106 HG22 THR 17 HG22 THR 17 1.922 -5.254 -5.829
107 HG23 THR 17 HG23 THR 17 2.073 -3.503 -5.690
108 H LYS 18 HN LYS 18 -0.590 -5.756 -1.158
109 HA LYS 18 HA LYS 18 -0.215 -5.576 1.026
110 HB2 LYS 18 HB2 LYS 18 1.815 -7.653 0.247
111 HB3 LYS 18 HB1 LYS 18 1.493 -7.233 1.924
112 HG2 LYS 18 HG2 LYS 18 -0.834 -7.898 1.662
113 HG3 LYS 18 HG1 LYS 18 -0.535 -8.283 -0.036
114 HD2 LYS 18 HD2 LYS 18 1.002 -9.987 0.552
115 HD3 LYS 18 HD1 LYS 18 0.942 -9.495 2.249
116 HE2 LYS 18 HE2 LYS 18 -0.377 -11.551 1.800
117 HE3 LYS 18 HE1 LYS 18 -1.358 -10.231 2.428
118 HZ1 LYS 18 HZ1 LYS 18 -2.127 -9.792 0.183
119 HZ2 LYS 18 HZ2 LYS 18 -2.439 -11.377 0.605
120 HZ3 LYS 18 HZ3 LYS 18 -1.163 -11.036 -0.429
121 H ASN 19 HN ASN 19 1.254 -3.741 -0.694
122 HA ASN 19 HA ASN 19 3.379 -3.025 1.169
123 HB2 ASN 19 HB2 ASN 19 4.332 -3.740 -0.970
124 HB3 ASN 19 HB1 ASN 19 3.310 -2.589 -1.820
125 HD21 ASN 19 HD21 ASN 19 5.219 -1.637 -2.707
126 HD22 ASN 19 HD22 ASN 19 6.176 -0.597 -1.744
127 H CYS 20 HN CYS 20 2.304 -1.632 2.367
128 HA CYS 20 HA CYS 20 1.064 0.695 1.079
129 HB2 CYS 20 HB2 CYS 20 -0.433 -0.555 2.625
130 HB3 CYS 20 HB1 CYS 20 0.794 -0.411 3.882
131 H GLY 21 HN GLY 21 2.577 2.232 0.932
132 HA2 GLY 21 HA2 GLY 21 4.916 2.113 2.600
133 HA3 GLY 21 HA1 GLY 21 4.586 3.276 1.322
134 H TRP 22 HN TRP 22 5.729 4.332 3.451
135 HA TRP 22 HA TRP 22 3.779 5.189 5.321
136 HB2 TRP 22 HB2 TRP 22 5.638 6.490 6.267
137 HB3 TRP 22 HB1 TRP 22 5.975 4.786 6.292
138 HD1 TRP 22 HD1 TRP 22 7.511 4.374 3.540
139 HE1 TRP 22 HE1 TRP 22 9.717 5.588 3.094
140 HE3 TRP 22 HE3 TRP 22 7.037 8.086 6.935
141 HZ2 TRP 22 HZ2 TRP 22 11.120 7.831 4.089
142 HZ3 TRP 22 HZ3 TRP 22 8.876 9.757 7.168
143 HH2 TRP 22 HH2 TRP 22 10.873 9.609 5.762
144 H ASN 23 HN ASN 23 4.329 5.914 2.298
145 HA ASN 23 HA ASN 23 3.829 8.769 2.342
146 HB2 ASN 23 HB2 ASN 23 3.749 8.575 -0.084
147 HB3 ASN 23 HB1 ASN 23 5.160 7.709 0.502
148 HD21 ASN 23 HD21 ASN 23 3.806 7.385 -2.007
149 HD22 ASN 23 HD22 ASN 23 3.272 5.734 -2.077
150 H PHE 24 HN PHE 24 2.140 6.032 2.949
151 HA PHE 24 HA PHE 24 0.023 5.590 3.435
152 HB2 PHE 24 HB2 PHE 24 -0.473 8.465 2.672
153 HB3 PHE 24 HB1 PHE 24 -1.752 7.385 3.202
154 HD1 PHE 24 HD1 PHE 24 1.363 9.085 4.243
155 HD2 PHE 24 HD2 PHE 24 -2.059 6.889 5.497
156 HE1 PHE 24 HE1 PHE 24 1.852 9.667 6.580
157 HE2 PHE 24 HE2 PHE 24 -1.579 7.461 7.835
158 HZ PHE 24 HZ PHE 24 0.378 8.851 8.387
159 H LYS 25 HN LYS 25 1.207 5.298 0.702
160 HA LYS 25 HA LYS 25 -1.353 4.792 -0.638
161 HB2 LYS 25 HB2 LYS 25 1.237 5.644 -1.890
162 HB3 LYS 25 HB1 LYS 25 -0.175 5.122 -2.793
163 HG2 LYS 25 HG2 LYS 25 -1.414 7.053 -1.909
164 HG3 LYS 25 HG1 LYS 25 0.042 7.567 -1.045
165 HD2 LYS 25 HD2 LYS 25 1.242 7.723 -3.157
166 HD3 LYS 25 HD1 LYS 25 -0.207 7.227 -4.033
167 HE2 LYS 25 HE2 LYS 25 -1.365 9.225 -3.184
168 HE3 LYS 25 HE1 LYS 25 0.119 9.716 -2.365
169 HZ1 LYS 25 HZ1 LYS 25 -0.118 10.872 -4.417
170 HZ2 LYS 25 HZ2 LYS 25 -0.279 9.446 -5.292
171 HZ3 LYS 25 HZ3 LYS 25 1.199 9.823 -4.557
172 H CYS 26 HN CYS 26 -1.444 2.922 -1.851
173 HA CYS 26 HA CYS 26 0.286 0.800 -1.070
174 HB2 CYS 26 HB2 CYS 26 -1.871 1.045 -3.154
175 HB3 CYS 26 HB1 CYS 26 -1.070 -0.494 -2.776
176 H ASN 27 HN ASN 27 2.138 0.328 -1.994
177 HA ASN 27 HA ASN 27 2.866 1.832 -4.419
178 HB2 ASN 27 HB2 ASN 27 4.611 0.876 -2.125
179 HB3 ASN 27 HB1 ASN 27 5.226 1.669 -3.565
180 HD21 ASN 27 HD21 ASN 27 5.407 2.483 -0.773
181 HD22 ASN 27 HD22 ASN 27 4.659 4.035 -0.668
182 HA HYP 28 HA HYP 28 3.898 -1.828 -6.817
183 HB2 HYP 28 HB1 HYP 28 5.777 -1.387 -8.140
184 HB3 HYP 28 HB2 HYP 28 6.729 -0.820 -6.761
185 HG HYP 28 HG HYP 28 6.112 1.174 -7.896
186 HD22 HYP 28 HD11 HYP 28 3.926 1.760 -6.384
187 HD23 HYP 28 HD12 HYP 28 5.522 1.570 -5.628
188 HD1 HYP 28 HD2 HYP 28 4.001 1.512 -8.488
189 HA HYP 29 HA HYP 29 5.039 -4.672 -3.710
190 HB2 HYP 29 HB1 HYP 29 4.048 -6.286 -4.995
191 HB3 HYP 29 HB2 HYP 29 5.719 -6.802 -5.253
192 HG HYP 29 HG HYP 29 5.550 -6.220 -7.457
193 HD22 HYP 29 HD11 HYP 29 4.488 -3.635 -7.593
194 HD23 HYP 29 HD12 HYP 29 6.205 -3.981 -7.315
195 HD1 HYP 29 HD2 HYP 29 3.225 -4.907 -7.475
196 H ASN 30 HN ASN 30 6.886 -4.281 -2.596
197 HA ASN 30 HA ASN 30 9.436 -4.500 -3.997
198 HB2 ASN 30 HB2 ASN 30 10.533 -3.631 -1.977
199 HB3 ASN 30 HB1 ASN 30 9.192 -2.586 -2.408
200 HD21 ASN 30 HD21 ASN 30 7.489 -2.382 -0.993
201 HD22 ASN 30 HD22 ASN 30 7.479 -3.074 0.573
202 H GLN 31 HN GLN 31 7.341 -6.273 -2.067
203 HA GLN 31 HA GLN 31 9.165 -8.533 -2.027
204 HB2 GLN 31 HB2 GLN 31 7.529 -7.507 0.303
205 HB3 GLN 31 HB1 GLN 31 8.184 -9.135 0.237
206 HG2 GLN 31 HG2 GLN 31 10.423 -8.295 0.246
207 HG3 GLN 31 HG1 GLN 31 9.849 -6.637 0.086
208 HE21 GLN 31 HE21 GLN 31 9.015 -5.616 1.844
209 HE22 GLN 31 HE22 GLN 31 9.195 -6.205 3.460
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 -11.766 -4.188 -4.129
2 H2 GLY 1 HT2 GLY 1 -12.359 -5.560 -4.897
3 H3 GLY 1 HT3 GLY 1 -10.711 -5.175 -4.976
4 HA2 GLY 1 HA1 GLY 1 -12.177 -5.866 -2.505
5 HA3 GLY 1 HA2 GLY 1 -11.101 -6.948 -3.378
6 H CYS 2 HN CYS 2 -8.859 -6.483 -3.392
7 HA CYS 2 HA CYS 2 -7.850 -5.159 -1.095
8 HB2 CYS 2 HB2 CYS 2 -5.628 -5.639 -2.173
9 HB3 CYS 2 HB1 CYS 2 -6.654 -7.056 -1.982
10 H ILE 3 HN ILE 3 -6.397 -3.296 -1.151
11 HA ILE 3 HA ILE 3 -7.536 -1.264 -2.793
12 HB ILE 3 HB ILE 3 -5.103 -0.982 -1.002
13 HG12 ILE 3 HG12 ILE 3 -8.019 -0.531 -0.339
14 HG13 ILE 3 HG11 ILE 3 -7.075 -1.913 0.203
15 HG21 ILE 3 HG21 ILE 3 -5.451 0.859 -2.595
16 HG22 ILE 3 HG22 ILE 3 -5.773 1.388 -0.944
17 HG23 ILE 3 HG23 ILE 3 -7.114 1.039 -2.034
18 HD11 ILE 3 HD11 ILE 3 -6.535 0.962 0.880
19 HD12 ILE 3 HD12 ILE 3 -5.612 -0.429 1.451
20 HD13 ILE 3 HD13 ILE 3 -7.299 -0.226 1.935
21 H ALA 4 HN ALA 4 -6.914 -0.623 -4.672
22 HA ALA 4 HA ALA 4 -4.835 -1.831 -6.146
23 HB1 ALA 4 HB1 ALA 4 -5.418 -0.187 -7.880
24 HB2 ALA 4 HB2 ALA 4 -6.407 0.687 -6.711
25 HB3 ALA 4 HB3 ALA 4 -6.856 -0.947 -7.200
26 H THR 5 HN THR 5 -2.860 -0.894 -6.896
27 HA THR 5 HA THR 5 -1.747 0.648 -4.818
28 HB THR 5 HB THR 5 0.385 0.317 -5.968
29 HG1 THR 5 HG1 THR 5 -0.503 0.064 -8.125
30 HG21 THR 5 HG21 THR 5 0.466 -2.100 -5.567
31 HG22 THR 5 HG22 THR 5 -1.297 -2.125 -5.487
32 HG23 THR 5 HG23 THR 5 -0.368 -1.219 -4.292
33 H GLY 6 HN GLY 6 -0.917 2.604 -4.845
34 HA2 GLY 6 HA2 GLY 6 -0.448 4.699 -5.912
35 HA3 GLY 6 HA1 GLY 6 -1.660 4.301 -7.131
36 H SER 7 HN SER 7 -3.340 3.163 -4.871
37 HA SER 7 HA SER 7 -4.634 5.664 -4.210
38 HB2 SER 7 HB2 SER 7 -5.514 2.803 -3.823
39 HB3 SER 7 HB1 SER 7 -6.497 4.234 -3.502
40 HG SER 7 HG SER 7 -5.299 3.906 -6.009
41 H PHE 8 HN PHE 8 -5.529 5.894 -2.026
42 HA PHE 8 HA PHE 8 -3.488 5.829 -0.067
43 HB2 PHE 8 HB2 PHE 8 -5.091 7.643 -0.264
44 HB3 PHE 8 HB1 PHE 8 -6.420 6.542 0.025
45 HD1 PHE 8 HD1 PHE 8 -3.646 8.386 1.540
46 HD2 PHE 8 HD2 PHE 8 -6.975 5.839 2.256
47 HE1 PHE 8 HE1 PHE 8 -3.576 8.963 3.922
48 HE2 PHE 8 HE2 PHE 8 -6.905 6.404 4.638
49 HZ PHE 8 HZ PHE 8 -5.218 7.966 5.479
50 H CYS 9 HN CYS 9 -3.178 4.450 1.575
51 HA CYS 9 HA CYS 9 -5.108 2.213 1.929
52 HB2 CYS 9 HB2 CYS 9 -3.346 0.759 2.354
53 HB3 CYS 9 HB1 CYS 9 -2.621 1.813 1.142
54 H THR 10 HN THR 10 -5.199 1.378 4.185
55 HA THR 10 HA THR 10 -4.276 3.344 6.102
56 HB THR 10 HB THR 10 -5.997 2.211 7.651
57 HG1 THR 10 HG1 THR 10 -7.168 0.699 6.815
58 HG21 THR 10 HG21 THR 10 -7.002 3.710 5.231
59 HG22 THR 10 HG22 THR 10 -6.294 4.443 6.658
60 HG23 THR 10 HG23 THR 10 -7.830 3.580 6.785
61 H LEU 11 HN LEU 11 -4.292 -0.022 5.148
62 HA LEU 11 HA LEU 11 -2.038 -0.518 6.937
63 HB2 LEU 11 HB2 LEU 11 -4.371 -2.388 6.436
64 HB3 LEU 11 HB1 LEU 11 -2.905 -2.817 7.285
65 HG LEU 11 HG LEU 11 -4.926 -0.782 8.241
66 HD11 LEU 11 HD11 LEU 11 -5.808 -3.063 8.283
67 HD12 LEU 11 HD12 LEU 11 -5.504 -2.465 9.912
68 HD13 LEU 11 HD13 LEU 11 -4.380 -3.601 9.168
69 HD21 LEU 11 HD21 LEU 11 -2.497 -1.964 9.595
70 HD22 LEU 11 HD22 LEU 11 -3.677 -0.895 10.348
71 HD23 LEU 11 HD23 LEU 11 -2.668 -0.299 9.033
72 H SER 12 HN SER 12 -0.422 -1.711 5.950
73 HA SER 12 HA SER 12 -0.079 -1.737 3.220
74 HB2 SER 12 HB2 SER 12 1.692 -3.504 3.804
75 HB3 SER 12 HB1 SER 12 1.834 -1.920 4.567
76 HG SER 12 HG SER 12 1.418 -2.745 6.417
77 H LYS 13 HN LYS 13 -1.092 -4.343 5.252
78 HA LYS 13 HA LYS 13 -1.200 -6.298 3.253
79 HB2 LYS 13 HB2 LYS 13 -2.362 -7.744 4.870
80 HB3 LYS 13 HB1 LYS 13 -0.879 -7.081 5.490
81 HG2 LYS 13 HG2 LYS 13 -3.608 -5.976 6.169
82 HG3 LYS 13 HG1 LYS 13 -2.848 -7.265 7.076
83 HD2 LYS 13 HD2 LYS 13 -1.769 -4.404 6.833
84 HD3 LYS 13 HD1 LYS 13 -2.659 -5.075 8.162
85 HE2 LYS 13 HE2 LYS 13 -0.380 -5.075 8.821
86 HE3 LYS 13 HE1 LYS 13 -0.823 -6.741 8.516
87 HZ1 LYS 13 HZ1 LYS 13 0.761 -5.024 6.632
88 HZ2 LYS 13 HZ2 LYS 13 0.440 -6.675 6.438
89 HZ3 LYS 13 HZ3 LYS 13 1.370 -6.160 7.685
90 H GLY 14 HN GLY 14 -3.294 -3.762 3.656
91 HA2 GLY 14 HA2 GLY 14 -5.656 -5.173 2.712
92 HA3 GLY 14 HA1 GLY 14 -5.497 -3.443 3.019
93 H CYS 15 HN CYS 15 -2.924 -3.596 1.465
94 HA CYS 15 HA CYS 15 -4.002 -2.783 -1.055
95 HB2 CYS 15 HB2 CYS 15 -1.149 -3.201 -0.176
96 HB3 CYS 15 HB1 CYS 15 -1.678 -2.331 -1.612
97 H CYS 16 HN CYS 16 -3.569 -3.761 -3.069
98 HA CYS 16 HA CYS 16 -3.712 -6.553 -3.136
99 HB2 CYS 16 HB2 CYS 16 -2.947 -4.650 -5.350
100 HB3 CYS 16 HB1 CYS 16 -3.433 -6.329 -5.574
101 H THR 17 HN THR 17 -0.861 -4.412 -3.364
102 HA THR 17 HA THR 17 0.889 -6.572 -4.015
103 HB THR 17 HB THR 17 2.578 -4.751 -3.478
104 HG1 THR 17 HG1 THR 17 1.791 -2.754 -3.059
105 HG21 THR 17 HG21 THR 17 1.939 -5.262 -5.770
106 HG22 THR 17 HG22 THR 17 1.994 -3.500 -5.558
107 HG23 THR 17 HG23 THR 17 0.450 -4.338 -5.574
108 H LYS 18 HN LYS 18 -0.711 -5.810 -1.231
109 HA LYS 18 HA LYS 18 -0.453 -6.074 0.996
110 HB2 LYS 18 HB2 LYS 18 1.739 -7.974 0.120
111 HB3 LYS 18 HB1 LYS 18 1.174 -7.829 1.775
112 HG2 LYS 18 HG2 LYS 18 -0.519 -8.654 -0.568
113 HG3 LYS 18 HG1 LYS 18 0.212 -9.763 0.596
114 HD2 LYS 18 HD2 LYS 18 -1.073 -8.669 2.398
115 HD3 LYS 18 HD1 LYS 18 -1.825 -7.614 1.202
116 HE2 LYS 18 HE2 LYS 18 -2.767 -9.577 0.077
117 HE3 LYS 18 HE1 LYS 18 -2.039 -10.617 1.301
118 HZ1 LYS 18 HZ1 LYS 18 -4.033 -8.488 1.862
119 HZ2 LYS 18 HZ2 LYS 18 -3.413 -9.592 2.968
120 HZ3 LYS 18 HZ3 LYS 18 -4.390 -10.126 1.716
121 H ASN 19 HN ASN 19 1.156 -4.031 -0.464
122 HA ASN 19 HA ASN 19 2.918 -3.395 1.750
123 HB2 ASN 19 HB2 ASN 19 4.396 -4.436 0.117
124 HB3 ASN 19 HB1 ASN 19 3.778 -3.392 -1.156
125 HD21 ASN 19 HD21 ASN 19 4.595 -1.373 -1.359
126 HD22 ASN 19 HD22 ASN 19 5.890 -0.743 -0.409
127 H CYS 20 HN CYS 20 2.917 -1.348 2.290
128 HA CYS 20 HA CYS 20 1.912 0.680 0.489
129 HB2 CYS 20 HB2 CYS 20 -0.085 -0.145 1.832
130 HB3 CYS 20 HB1 CYS 20 0.812 0.263 3.282
131 H GLY 21 HN GLY 21 3.001 2.598 0.909
132 HA2 GLY 21 HA2 GLY 21 5.228 2.226 2.763
133 HA3 GLY 21 HA1 GLY 21 5.122 3.424 1.481
134 H TRP 22 HN TRP 22 5.988 4.690 3.381
135 HA TRP 22 HA TRP 22 4.155 5.405 5.420
136 HB2 TRP 22 HB2 TRP 22 5.896 7.127 5.905
137 HB3 TRP 22 HB1 TRP 22 6.483 5.518 6.126
138 HD1 TRP 22 HD1 TRP 22 7.900 4.698 3.600
139 HE1 TRP 22 HE1 TRP 22 9.645 6.150 2.398
140 HE3 TRP 22 HE3 TRP 22 6.662 9.077 5.613
141 HZ2 TRP 22 HZ2 TRP 22 10.414 8.886 2.345
142 HZ3 TRP 22 HZ3 TRP 22 7.940 11.165 4.983
143 HH2 TRP 22 HH2 TRP 22 9.784 11.029 3.374
144 H ASN 23 HN ASN 23 4.264 6.106 2.282
145 HA ASN 23 HA ASN 23 3.401 8.858 2.372
146 HB2 ASN 23 HB2 ASN 23 3.144 8.597 -0.067
147 HB3 ASN 23 HB1 ASN 23 4.720 8.020 0.448
148 HD21 ASN 23 HD21 ASN 23 3.453 7.346 -1.991
149 HD22 ASN 23 HD22 ASN 23 3.173 5.640 -1.988
150 H PHE 24 HN PHE 24 2.106 5.832 2.927
151 HA PHE 24 HA PHE 24 0.110 4.979 3.329
152 HB2 PHE 24 HB2 PHE 24 -0.705 7.865 3.384
153 HB3 PHE 24 HB1 PHE 24 -1.888 6.582 3.608
154 HD1 PHE 24 HD1 PHE 24 0.933 8.368 5.076
155 HD2 PHE 24 HD2 PHE 24 -1.829 5.174 5.576
156 HE1 PHE 24 HE1 PHE 24 1.510 8.243 7.463
157 HE2 PHE 24 HE2 PHE 24 -1.255 5.042 7.963
158 HZ PHE 24 HZ PHE 24 0.412 6.577 8.910
159 H LYS 25 HN LYS 25 1.072 5.281 0.687
160 HA LYS 25 HA LYS 25 -1.476 4.841 -0.702
161 HB2 LYS 25 HB2 LYS 25 1.198 5.628 -1.729
162 HB3 LYS 25 HB1 LYS 25 -0.143 5.220 -2.793
163 HG2 LYS 25 HG2 LYS 25 -1.333 7.229 -1.902
164 HG3 LYS 25 HG1 LYS 25 0.101 7.605 -0.937
165 HD2 LYS 25 HD2 LYS 25 1.442 7.678 -3.020
166 HD3 LYS 25 HD1 LYS 25 -0.026 7.400 -3.947
167 HE2 LYS 25 HE2 LYS 25 0.487 9.777 -2.153
168 HE3 LYS 25 HE1 LYS 25 0.651 9.771 -3.905
169 HZ1 LYS 25 HZ1 LYS 25 -1.452 10.704 -3.200
170 HZ2 LYS 25 HZ2 LYS 25 -1.872 9.271 -2.422
171 HZ3 LYS 25 HZ3 LYS 25 -1.703 9.305 -4.094
172 H CYS 26 HN CYS 26 -1.599 2.895 -1.758
173 HA CYS 26 HA CYS 26 0.057 0.813 -0.835
174 HB2 CYS 26 HB2 CYS 26 -1.997 0.963 -3.017
175 HB3 CYS 26 HB1 CYS 26 -1.238 -0.557 -2.510
176 H ASN 27 HN ASN 27 1.919 0.105 -1.597
177 HA ASN 27 HA ASN 27 2.893 1.271 -4.114
178 HB2 ASN 27 HB2 ASN 27 4.447 0.757 -1.551
179 HB3 ASN 27 HB1 ASN 27 5.182 1.245 -3.067
180 HD21 ASN 27 HD21 ASN 27 5.337 2.533 -0.523
181 HD22 ASN 27 HD22 ASN 27 4.663 4.118 -0.690
182 HA HYP 28 HA HYP 28 3.813 -2.952 -5.251
183 HB2 HYP 28 HB1 HYP 28 4.987 -2.753 -7.229
184 HB3 HYP 28 HB2 HYP 28 6.370 -2.030 -6.404
185 HG HYP 28 HG HYP 28 5.501 -0.200 -7.634
186 HD22 HYP 28 HD11 HYP 28 3.950 0.904 -5.786
187 HD23 HYP 28 HD12 HYP 28 5.624 0.497 -5.331
188 HD1 HYP 28 HD2 HYP 28 3.524 0.071 -8.073
189 HA HYP 29 HA HYP 29 6.165 -4.847 -2.082
190 HB2 HYP 29 HB1 HYP 29 6.464 -7.001 -2.756
191 HB3 HYP 29 HB2 HYP 29 7.672 -6.524 -3.953
192 HG HYP 29 HG HYP 29 5.787 -7.203 -5.295
193 HD22 HYP 29 HD11 HYP 29 4.788 -4.840 -5.812
194 HD23 HYP 29 HD12 HYP 29 6.568 -4.943 -5.882
195 HD1 HYP 29 HD2 HYP 29 4.292 -5.619 -3.602
196 H ASN 30 HN ASN 30 7.869 -4.231 -0.991
197 HA ASN 30 HA ASN 30 10.272 -3.382 -2.460
198 HB2 ASN 30 HB2 ASN 30 9.049 -2.092 -0.016
199 HB3 ASN 30 HB1 ASN 30 10.669 -1.739 -0.583
200 HD21 ASN 30 HD21 ASN 30 9.867 -1.864 -3.430
201 HD22 ASN 30 HD22 ASN 30 8.983 -0.427 -3.717
202 H GLN 31 HN GLN 31 8.973 -5.142 0.235
203 HA GLN 31 HA GLN 31 11.689 -5.685 1.142
204 HB2 GLN 31 HB2 GLN 31 9.063 -6.028 2.632
205 HB3 GLN 31 HB1 GLN 31 10.617 -6.554 3.242
206 HG2 GLN 31 HG2 GLN 31 10.146 -4.513 4.332
207 HG3 GLN 31 HG1 GLN 31 11.366 -4.143 3.123
208 HE21 GLN 31 HE21 GLN 31 7.933 -4.587 2.501
209 HE22 GLN 31 HE22 GLN 31 7.603 -2.976 2.019
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 -12.184 -5.252 -2.566
2 H2 GLY 1 HT2 GLY 1 -12.246 -6.350 -1.302
3 H3 GLY 1 HT3 GLY 1 -12.986 -6.736 -2.779
4 HA2 GLY 1 HA1 GLY 1 -10.922 -7.914 -2.535
5 HA3 GLY 1 HA2 GLY 1 -10.807 -6.726 -3.827
6 H CYS 2 HN CYS 2 -8.980 -5.577 -3.777
7 HA CYS 2 HA CYS 2 -7.803 -4.968 -1.178
8 HB2 CYS 2 HB2 CYS 2 -5.569 -5.313 -2.271
9 HB3 CYS 2 HB1 CYS 2 -6.504 -6.783 -2.015
10 H ILE 3 HN ILE 3 -6.301 -3.160 -1.317
11 HA ILE 3 HA ILE 3 -7.410 -1.046 -2.900
12 HB ILE 3 HB ILE 3 -4.935 -0.969 -1.150
13 HG12 ILE 3 HG12 ILE 3 -7.765 -0.295 -0.431
14 HG13 ILE 3 HG11 ILE 3 -6.992 -1.811 0.018
15 HG21 ILE 3 HG21 ILE 3 -6.831 1.193 -2.097
16 HG22 ILE 3 HG22 ILE 3 -5.185 0.924 -2.674
17 HG23 ILE 3 HG23 ILE 3 -5.461 1.432 -1.009
18 HD11 ILE 3 HD11 ILE 3 -6.111 0.939 0.875
19 HD12 ILE 3 HD12 ILE 3 -5.337 -0.581 1.326
20 HD13 ILE 3 HD13 ILE 3 -6.978 -0.231 1.871
21 H ALA 4 HN ALA 4 -6.768 -0.521 -4.819
22 HA ALA 4 HA ALA 4 -4.660 -1.855 -6.185
23 HB1 ALA 4 HB1 ALA 4 -6.663 -1.064 -7.362
24 HB2 ALA 4 HB2 ALA 4 -5.206 -0.357 -8.059
25 HB3 ALA 4 HB3 ALA 4 -6.226 0.604 -6.990
26 H THR 5 HN THR 5 -2.611 -1.163 -6.625
27 HA THR 5 HA THR 5 -1.544 0.601 -4.770
28 HB THR 5 HB THR 5 0.573 0.316 -5.929
29 HG1 THR 5 HG1 THR 5 -0.738 -0.163 -8.045
30 HG21 THR 5 HG21 THR 5 -1.028 -2.157 -5.342
31 HG22 THR 5 HG22 THR 5 -0.082 -1.194 -4.203
32 HG23 THR 5 HG23 THR 5 0.727 -2.101 -5.475
33 H GLY 6 HN GLY 6 -0.846 2.558 -4.770
34 HA2 GLY 6 HA2 GLY 6 -0.402 4.675 -5.837
35 HA3 GLY 6 HA1 GLY 6 -1.606 4.255 -7.057
36 H SER 7 HN SER 7 -3.288 3.091 -4.844
37 HA SER 7 HA SER 7 -4.672 5.547 -4.201
38 HB2 SER 7 HB2 SER 7 -5.502 2.672 -3.786
39 HB3 SER 7 HB1 SER 7 -6.550 4.088 -3.696
40 HG SER 7 HG SER 7 -5.569 2.726 -5.849
41 H PHE 8 HN PHE 8 -5.706 5.668 -2.015
42 HA PHE 8 HA PHE 8 -3.689 5.917 -0.064
43 HB2 PHE 8 HB2 PHE 8 -5.491 7.500 -0.249
44 HB3 PHE 8 HB1 PHE 8 -6.684 6.251 0.063
45 HD1 PHE 8 HD1 PHE 8 -7.381 5.812 2.264
46 HD2 PHE 8 HD2 PHE 8 -3.883 8.133 1.579
47 HE1 PHE 8 HE1 PHE 8 -7.319 6.413 4.647
48 HE2 PHE 8 HE2 PHE 8 -3.814 8.736 3.958
49 HZ PHE 8 HZ PHE 8 -5.521 7.885 5.495
50 H CYS 9 HN CYS 9 -3.071 4.647 1.541
51 HA CYS 9 HA CYS 9 -4.864 2.538 2.501
52 HB2 CYS 9 HB2 CYS 9 -3.068 0.932 2.550
53 HB3 CYS 9 HB1 CYS 9 -3.271 1.532 0.906
54 H THR 10 HN THR 10 -4.389 1.866 4.620
55 HA THR 10 HA THR 10 -2.440 3.478 6.090
56 HB THR 10 HB THR 10 -3.986 3.149 8.086
57 HG1 THR 10 HG1 THR 10 -5.946 2.743 6.098
58 HG21 THR 10 HG21 THR 10 -3.808 5.312 6.949
59 HG22 THR 10 HG22 THR 10 -5.474 5.016 7.450
60 HG23 THR 10 HG23 THR 10 -5.007 4.800 5.764
61 H LEU 11 HN LEU 11 -3.454 0.383 5.139
62 HA LEU 11 HA LEU 11 -1.733 -0.904 7.110
63 HB2 LEU 11 HB2 LEU 11 -4.496 -1.817 6.298
64 HB3 LEU 11 HB1 LEU 11 -3.357 -2.803 7.185
65 HG LEU 11 HG LEU 11 -4.520 -0.206 8.193
66 HD11 LEU 11 HD11 LEU 11 -6.232 -1.927 8.005
67 HD12 LEU 11 HD12 LEU 11 -5.844 -1.607 9.695
68 HD13 LEU 11 HD13 LEU 11 -5.217 -3.053 8.904
69 HD21 LEU 11 HD21 LEU 11 -2.330 -0.690 9.146
70 HD22 LEU 11 HD22 LEU 11 -2.852 -2.321 9.555
71 HD23 LEU 11 HD23 LEU 11 -3.589 -0.936 10.356
72 H SER 12 HN SER 12 -0.497 -2.506 6.309
73 HA SER 12 HA SER 12 0.223 -2.496 3.645
74 HB2 SER 12 HB2 SER 12 1.502 -4.583 4.362
75 HB3 SER 12 HB1 SER 12 1.820 -3.087 5.250
76 HG SER 12 HG SER 12 1.109 -3.966 6.966
77 H LYS 13 HN LYS 13 -1.459 -5.055 5.378
78 HA LYS 13 HA LYS 13 -1.738 -6.694 3.133
79 HB2 LYS 13 HB2 LYS 13 -3.136 -8.145 4.438
80 HB3 LYS 13 HB1 LYS 13 -1.778 -7.601 5.397
81 HG2 LYS 13 HG2 LYS 13 -4.593 -6.524 5.608
82 HG3 LYS 13 HG1 LYS 13 -3.901 -7.755 6.653
83 HD2 LYS 13 HD2 LYS 13 -2.179 -6.096 7.363
84 HD3 LYS 13 HD1 LYS 13 -3.011 -4.884 6.385
85 HE2 LYS 13 HE2 LYS 13 -3.711 -4.653 8.667
86 HE3 LYS 13 HE1 LYS 13 -5.051 -5.276 7.711
87 HZ1 LYS 13 HZ1 LYS 13 -4.486 -7.527 8.544
88 HZ2 LYS 13 HZ2 LYS 13 -4.895 -6.443 9.769
89 HZ3 LYS 13 HZ3 LYS 13 -3.288 -6.828 9.514
90 H GLY 14 HN GLY 14 -3.416 -3.888 3.732
91 HA2 GLY 14 HA2 GLY 14 -5.945 -4.687 2.603
92 HA3 GLY 14 HA1 GLY 14 -5.413 -3.036 2.922
93 H CYS 15 HN CYS 15 -2.893 -3.574 1.486
94 HA CYS 15 HA CYS 15 -3.750 -2.690 -1.102
95 HB2 CYS 15 HB2 CYS 15 -1.016 -3.353 -0.030
96 HB3 CYS 15 HB1 CYS 15 -1.364 -2.470 -1.515
97 H CYS 16 HN CYS 16 -3.402 -3.757 -3.074
98 HA CYS 16 HA CYS 16 -3.704 -6.534 -3.104
99 HB2 CYS 16 HB2 CYS 16 -2.708 -4.734 -5.313
100 HB3 CYS 16 HB1 CYS 16 -3.318 -6.372 -5.522
101 H THR 17 HN THR 17 -0.749 -4.535 -3.571
102 HA THR 17 HA THR 17 0.964 -6.756 -4.013
103 HB THR 17 HB THR 17 2.672 -4.958 -3.545
104 HG1 THR 17 HG1 THR 17 1.873 -2.893 -3.248
105 HG21 THR 17 HG21 THR 17 1.930 -5.467 -5.837
106 HG22 THR 17 HG22 THR 17 2.141 -3.726 -5.634
107 HG23 THR 17 HG23 THR 17 0.527 -4.427 -5.608
108 H LYS 18 HN LYS 18 -0.607 -5.621 -1.315
109 HA LYS 18 HA LYS 18 -0.467 -5.816 0.906
110 HB2 LYS 18 HB2 LYS 18 1.776 -7.786 0.359
111 HB3 LYS 18 HB1 LYS 18 0.958 -7.575 1.901
112 HG2 LYS 18 HG2 LYS 18 -0.376 -8.478 -0.646
113 HG3 LYS 18 HG1 LYS 18 0.180 -9.548 0.642
114 HD2 LYS 18 HD2 LYS 18 -1.376 -8.564 2.193
115 HD3 LYS 18 HD1 LYS 18 -1.853 -7.345 1.006
116 HE2 LYS 18 HE2 LYS 18 -2.770 -9.064 -0.424
117 HE3 LYS 18 HE1 LYS 18 -2.232 -10.318 0.695
118 HZ1 LYS 18 HZ1 LYS 18 -4.583 -9.744 0.886
119 HZ2 LYS 18 HZ2 LYS 18 -4.182 -8.186 1.403
120 HZ3 LYS 18 HZ3 LYS 18 -3.743 -9.530 2.322
121 H ASN 19 HN ASN 19 1.453 -4.098 -0.793
122 HA ASN 19 HA ASN 19 3.208 -3.342 1.424
123 HB2 ASN 19 HB2 ASN 19 4.499 -3.970 -0.570
124 HB3 ASN 19 HB1 ASN 19 3.591 -2.809 -1.530
125 HD21 ASN 19 HD21 ASN 19 5.447 -1.647 -2.091
126 HD22 ASN 19 HD22 ASN 19 6.271 -0.657 -0.948
127 H CYS 20 HN CYS 20 2.400 -1.789 2.502
128 HA CYS 20 HA CYS 20 0.980 0.365 1.092
129 HB2 CYS 20 HB2 CYS 20 -0.463 -0.742 2.722
130 HB3 CYS 20 HB1 CYS 20 0.770 -0.548 3.968
131 H GLY 21 HN GLY 21 1.930 2.299 1.138
132 HA2 GLY 21 HA2 GLY 21 4.522 2.420 2.477
133 HA3 GLY 21 HA1 GLY 21 3.918 3.488 1.224
134 H TRP 22 HN TRP 22 5.199 4.311 3.478
135 HA TRP 22 HA TRP 22 3.328 5.349 5.361
136 HB2 TRP 22 HB2 TRP 22 5.436 6.734 5.965
137 HB3 TRP 22 HB1 TRP 22 5.438 5.002 6.292
138 HD1 TRP 22 HD1 TRP 22 6.522 7.248 3.288
139 HE1 TRP 22 HE1 TRP 22 8.787 6.363 2.424
140 HE3 TRP 22 HE3 TRP 22 7.114 3.331 6.501
141 HZ2 TRP 22 HZ2 TRP 22 10.581 4.273 3.057
142 HZ3 TRP 22 HZ3 TRP 22 9.124 1.935 6.306
143 HH2 TRP 22 HH2 TRP 22 10.819 2.399 4.614
144 H ASN 23 HN ASN 23 3.851 5.983 2.278
145 HA ASN 23 HA ASN 23 3.415 8.856 2.313
146 HB2 ASN 23 HB2 ASN 23 3.520 8.675 -0.126
147 HB3 ASN 23 HB1 ASN 23 4.894 7.836 0.575
148 HD21 ASN 23 HD21 ASN 23 3.712 7.522 -2.030
149 HD22 ASN 23 HD22 ASN 23 3.234 5.876 -2.192
150 H PHE 24 HN PHE 24 1.725 6.225 2.984
151 HA PHE 24 HA PHE 24 -0.368 5.645 3.202
152 HB2 PHE 24 HB2 PHE 24 -0.825 8.576 2.691
153 HB3 PHE 24 HB1 PHE 24 -2.158 7.465 2.985
154 HD1 PHE 24 HD1 PHE 24 0.899 8.914 4.466
155 HD2 PHE 24 HD2 PHE 24 -2.634 6.653 5.142
156 HE1 PHE 24 HE1 PHE 24 1.253 9.087 6.889
157 HE2 PHE 24 HE2 PHE 24 -2.288 6.830 7.576
158 HZ PHE 24 HZ PHE 24 -0.339 8.048 8.449
159 H LYS 25 HN LYS 25 0.938 5.431 0.641
160 HA LYS 25 HA LYS 25 -1.499 4.857 -0.879
161 HB2 LYS 25 HB2 LYS 25 1.196 5.707 -1.848
162 HB3 LYS 25 HB1 LYS 25 -0.019 5.010 -2.911
163 HG2 LYS 25 HG2 LYS 25 -1.493 6.912 -2.383
164 HG3 LYS 25 HG1 LYS 25 -0.200 7.603 -1.392
165 HD2 LYS 25 HD2 LYS 25 1.254 7.747 -3.303
166 HD3 LYS 25 HD1 LYS 25 0.069 6.920 -4.314
167 HE2 LYS 25 HE2 LYS 25 -0.289 9.585 -2.982
168 HE3 LYS 25 HE1 LYS 25 0.063 9.338 -4.695
169 HZ1 LYS 25 HZ1 LYS 25 -2.398 8.520 -3.239
170 HZ2 LYS 25 HZ2 LYS 25 -2.069 8.075 -4.826
171 HZ3 LYS 25 HZ3 LYS 25 -2.271 9.700 -4.433
172 H CYS 26 HN CYS 26 -1.547 2.870 -1.809
173 HA CYS 26 HA CYS 26 0.231 0.873 -0.820
174 HB2 CYS 26 HB2 CYS 26 -1.865 0.828 -2.980
175 HB3 CYS 26 HB1 CYS 26 -0.995 -0.613 -2.433
176 H ASN 27 HN ASN 27 1.994 -0.002 -1.809
177 HA ASN 27 HA ASN 27 2.729 1.155 -4.409
178 HB2 ASN 27 HB2 ASN 27 4.566 0.790 -2.030
179 HB3 ASN 27 HB1 ASN 27 5.083 1.329 -3.623
180 HD21 ASN 27 HD21 ASN 27 3.822 2.222 -0.617
181 HD22 ASN 27 HD22 ASN 27 3.614 3.905 -0.884
182 HA HYP 28 HA HYP 28 3.998 -3.148 -4.952
183 HB2 HYP 28 HB1 HYP 28 4.770 -3.290 -7.158
184 HB3 HYP 28 HB2 HYP 28 5.934 -1.974 -6.924
185 HG HYP 28 HG HYP 28 4.161 -0.995 -8.198
186 HD22 HYP 28 HD11 HYP 28 2.880 0.152 -6.130
187 HD23 HYP 28 HD12 HYP 28 4.613 0.484 -6.359
188 HD1 HYP 28 HD2 HYP 28 2.235 -1.556 -8.030
189 HA HYP 29 HA HYP 29 7.694 -3.498 -2.570
190 HB2 HYP 29 HB1 HYP 29 7.259 -5.669 -1.963
191 HB3 HYP 29 HB2 HYP 29 8.284 -6.161 -3.315
192 HG HYP 29 HG HYP 29 6.320 -7.073 -4.152
193 HD22 HYP 29 HD11 HYP 29 4.859 -5.015 -5.071
194 HD23 HYP 29 HD12 HYP 29 6.512 -5.247 -5.699
195 HD1 HYP 29 HD2 HYP 29 4.335 -6.030 -3.552
196 H ASN 30 HN ASN 30 8.951 -2.097 -3.774
197 HA ASN 30 HA ASN 30 10.538 -3.287 -5.960
198 HB2 ASN 30 HB2 ASN 30 9.054 -1.318 -6.520
199 HB3 ASN 30 HB1 ASN 30 10.079 -0.341 -5.479
200 HD21 ASN 30 HD21 ASN 30 10.797 0.979 -7.121
201 HD22 ASN 30 HD22 ASN 30 11.845 0.423 -8.380
202 H GLN 31 HN GLN 31 10.646 -1.717 -2.899
203 HA GLN 31 HA GLN 31 13.462 -1.130 -3.081
204 HB2 GLN 31 HB2 GLN 31 11.622 -0.978 -0.680
205 HB3 GLN 31 HB1 GLN 31 13.228 -0.284 -0.801
206 HG2 GLN 31 HG2 GLN 31 10.818 0.562 -2.409
207 HG3 GLN 31 HG1 GLN 31 11.495 1.424 -1.034
208 HE21 GLN 31 HE21 GLN 31 11.076 2.254 -3.807
209 HE22 GLN 31 HE22 GLN 31 12.616 2.734 -4.405
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 -12.503 -6.029 -4.826
2 H2 GLY 1 HT2 GLY 1 -10.945 -5.410 -5.031
3 H3 GLY 1 HT3 GLY 1 -12.033 -4.624 -4.025
4 HA2 GLY 1 HA1 GLY 1 -12.048 -6.472 -2.499
5 HA3 GLY 1 HA2 GLY 1 -10.934 -7.316 -3.568
6 H CYS 2 HN CYS 2 -8.794 -6.599 -3.725
7 HA CYS 2 HA CYS 2 -7.795 -5.383 -1.347
8 HB2 CYS 2 HB2 CYS 2 -5.571 -5.652 -2.470
9 HB3 CYS 2 HB1 CYS 2 -6.497 -7.144 -2.390
10 H ILE 3 HN ILE 3 -6.403 -3.470 -1.353
11 HA ILE 3 HA ILE 3 -7.630 -1.333 -2.803
12 HB ILE 3 HB ILE 3 -5.180 -1.249 -0.995
13 HG12 ILE 3 HG12 ILE 3 -8.068 -0.651 -0.347
14 HG13 ILE 3 HG11 ILE 3 -7.221 -2.112 0.149
15 HG21 ILE 3 HG21 ILE 3 -5.352 0.682 -2.466
16 HG22 ILE 3 HG22 ILE 3 -5.706 1.149 -0.801
17 HG23 ILE 3 HG23 ILE 3 -7.021 0.946 -1.960
18 HD11 ILE 3 HD11 ILE 3 -7.374 -0.510 1.975
19 HD12 ILE 3 HD12 ILE 3 -6.555 0.707 0.992
20 HD13 ILE 3 HD13 ILE 3 -5.692 -0.746 1.495
21 H ALA 4 HN ALA 4 -7.103 -0.761 -4.723
22 HA ALA 4 HA ALA 4 -5.039 -1.854 -6.256
23 HB1 ALA 4 HB1 ALA 4 -6.572 0.703 -6.732
24 HB2 ALA 4 HB2 ALA 4 -7.079 -0.911 -7.230
25 HB3 ALA 4 HB3 ALA 4 -5.638 -0.181 -7.939
26 H THR 5 HN THR 5 -3.031 -1.115 -6.849
27 HA THR 5 HA THR 5 -1.694 0.267 -4.900
28 HB THR 5 HB THR 5 0.208 0.268 -6.456
29 HG1 THR 5 HG1 THR 5 -0.803 0.181 -8.486
30 HG21 THR 5 HG21 THR 5 -0.162 -1.488 -4.862
31 HG22 THR 5 HG22 THR 5 0.445 -2.176 -6.367
32 HG23 THR 5 HG23 THR 5 -1.269 -2.303 -5.965
33 H GLY 6 HN GLY 6 -0.849 2.266 -4.712
34 HA2 GLY 6 HA2 GLY 6 -0.470 4.478 -5.397
35 HA3 GLY 6 HA1 GLY 6 -1.608 4.235 -6.715
36 H SER 7 HN SER 7 -3.522 2.941 -4.715
37 HA SER 7 HA SER 7 -4.833 5.403 -4.066
38 HB2 SER 7 HB2 SER 7 -5.624 2.538 -3.475
39 HB3 SER 7 HB1 SER 7 -6.657 3.945 -3.224
40 HG SER 7 HG SER 7 -5.597 3.017 -5.695
41 H PHE 8 HN PHE 8 -5.728 5.765 -1.889
42 HA PHE 8 HA PHE 8 -3.675 5.958 0.029
43 HB2 PHE 8 HB2 PHE 8 -5.463 7.601 -0.085
44 HB3 PHE 8 HB1 PHE 8 -6.666 6.372 0.278
45 HD1 PHE 8 HD1 PHE 8 -4.000 8.481 1.653
46 HD2 PHE 8 HD2 PHE 8 -6.996 5.600 2.556
47 HE1 PHE 8 HE1 PHE 8 -3.784 9.006 4.044
48 HE2 PHE 8 HE2 PHE 8 -6.785 6.122 4.943
49 HZ PHE 8 HZ PHE 8 -5.176 7.828 5.693
50 H CYS 9 HN CYS 9 -3.034 4.583 1.521
51 HA CYS 9 HA CYS 9 -4.946 2.601 2.531
52 HB2 CYS 9 HB2 CYS 9 -3.069 0.953 2.550
53 HB3 CYS 9 HB1 CYS 9 -3.637 1.409 0.943
54 H THR 10 HN THR 10 -4.739 2.098 4.661
55 HA THR 10 HA THR 10 -2.663 3.498 6.190
56 HB THR 10 HB THR 10 -4.235 3.052 8.152
57 HG1 THR 10 HG1 THR 10 -5.479 1.505 6.593
58 HG21 THR 10 HG21 THR 10 -5.724 4.924 7.600
59 HG22 THR 10 HG22 THR 10 -5.257 4.792 5.904
60 HG23 THR 10 HG23 THR 10 -4.064 5.265 7.112
61 H LEU 11 HN LEU 11 -3.751 0.491 5.103
62 HA LEU 11 HA LEU 11 -2.079 -0.942 7.025
63 HB2 LEU 11 HB2 LEU 11 -4.739 -1.814 5.891
64 HB3 LEU 11 HB1 LEU 11 -3.698 -2.798 6.888
65 HG LEU 11 HG LEU 11 -5.049 -0.256 7.803
66 HD11 LEU 11 HD11 LEU 11 -6.487 -1.745 9.108
67 HD12 LEU 11 HD12 LEU 11 -5.723 -3.141 8.347
68 HD13 LEU 11 HD13 LEU 11 -6.668 -2.013 7.376
69 HD21 LEU 11 HD21 LEU 11 -2.966 -0.701 9.000
70 HD22 LEU 11 HD22 LEU 11 -3.496 -2.351 9.327
71 HD23 LEU 11 HD23 LEU 11 -4.359 -0.990 10.042
72 H SER 12 HN SER 12 -0.671 -2.306 6.061
73 HA SER 12 HA SER 12 -0.272 -2.153 3.276
74 HB2 SER 12 HB2 SER 12 1.435 -3.984 3.871
75 HB3 SER 12 HB1 SER 12 1.663 -2.371 4.558
76 HG SER 12 HG SER 12 1.516 -3.235 6.434
77 H LYS 13 HN LYS 13 -1.767 -4.424 5.393
78 HA LYS 13 HA LYS 13 -1.933 -6.608 3.636
79 HB2 LYS 13 HB2 LYS 13 -3.691 -7.476 5.148
80 HB3 LYS 13 HB1 LYS 13 -2.221 -6.990 5.963
81 HG2 LYS 13 HG2 LYS 13 -3.975 -6.281 7.362
82 HG3 LYS 13 HG1 LYS 13 -3.417 -4.827 6.546
83 HD2 LYS 13 HD2 LYS 13 -5.818 -4.802 6.653
84 HD3 LYS 13 HD1 LYS 13 -5.333 -5.056 4.978
85 HE2 LYS 13 HE2 LYS 13 -5.758 -7.440 5.191
86 HE3 LYS 13 HE1 LYS 13 -6.161 -7.227 6.894
87 HZ1 LYS 13 HZ1 LYS 13 -8.119 -7.386 5.558
88 HZ2 LYS 13 HZ2 LYS 13 -7.636 -6.110 4.584
89 HZ3 LYS 13 HZ3 LYS 13 -8.026 -5.835 6.210
90 H GLY 14 HN GLY 14 -3.640 -3.679 3.563
91 HA2 GLY 14 HA2 GLY 14 -6.013 -4.763 2.336
92 HA3 GLY 14 HA1 GLY 14 -5.619 -3.059 2.540
93 H CYS 15 HN CYS 15 -2.996 -3.419 1.336
94 HA CYS 15 HA CYS 15 -3.738 -2.705 -1.304
95 HB2 CYS 15 HB2 CYS 15 -1.051 -3.254 -0.079
96 HB3 CYS 15 HB1 CYS 15 -1.330 -2.470 -1.633
97 H CYS 16 HN CYS 16 -3.386 -3.748 -3.227
98 HA CYS 16 HA CYS 16 -3.516 -6.549 -3.264
99 HB2 CYS 16 HB2 CYS 16 -2.696 -4.702 -5.512
100 HB3 CYS 16 HB1 CYS 16 -3.284 -6.352 -5.684
101 H THR 17 HN THR 17 -0.740 -4.316 -3.547
102 HA THR 17 HA THR 17 1.142 -6.355 -4.173
103 HB THR 17 HB THR 17 2.633 -4.392 -3.436
104 HG1 THR 17 HG1 THR 17 1.667 -2.581 -3.050
105 HG21 THR 17 HG21 THR 17 2.322 -3.321 -5.631
106 HG22 THR 17 HG22 THR 17 0.826 -4.236 -5.855
107 HG23 THR 17 HG23 THR 17 2.377 -5.080 -5.766
108 H LYS 18 HN LYS 18 -0.524 -5.826 -1.414
109 HA LYS 18 HA LYS 18 -0.316 -6.268 0.785
110 HB2 LYS 18 HB2 LYS 18 2.203 -7.750 0.015
111 HB3 LYS 18 HB1 LYS 18 1.320 -7.928 1.519
112 HG2 LYS 18 HG2 LYS 18 0.399 -8.721 -1.237
113 HG3 LYS 18 HG1 LYS 18 0.854 -9.795 0.084
114 HD2 LYS 18 HD2 LYS 18 -1.048 -8.872 1.398
115 HD3 LYS 18 HD1 LYS 18 -1.521 -7.944 -0.026
116 HE2 LYS 18 HE2 LYS 18 -1.672 -10.071 -1.295
117 HE3 LYS 18 HE1 LYS 18 -1.354 -10.935 0.208
118 HZ1 LYS 18 HZ1 LYS 18 -3.659 -9.166 -0.337
119 HZ2 LYS 18 HZ2 LYS 18 -3.386 -9.948 1.137
120 HZ3 LYS 18 HZ3 LYS 18 -3.713 -10.838 -0.238
121 H ASN 19 HN ASN 19 1.392 -4.035 -0.550
122 HA ASN 19 HA ASN 19 2.831 -3.392 1.900
123 HB2 ASN 19 HB2 ASN 19 4.516 -4.182 0.286
124 HB3 ASN 19 HB1 ASN 19 3.937 -3.020 -0.902
125 HD21 ASN 19 HD21 ASN 19 5.996 -2.010 -1.049
126 HD22 ASN 19 HD22 ASN 19 6.584 -1.016 0.216
127 H CYS 20 HN CYS 20 2.711 -1.372 2.530
128 HA CYS 20 HA CYS 20 1.491 0.682 0.891
129 HB2 CYS 20 HB2 CYS 20 -0.356 -0.316 2.192
130 HB3 CYS 20 HB1 CYS 20 0.600 -0.182 3.666
131 H GLY 21 HN GLY 21 2.558 2.628 1.377
132 HA2 GLY 21 HA2 GLY 21 4.731 2.223 3.320
133 HA3 GLY 21 HA1 GLY 21 4.815 3.266 1.913
134 H TRP 22 HN TRP 22 5.695 4.598 3.729
135 HA TRP 22 HA TRP 22 3.982 5.876 5.580
136 HB2 TRP 22 HB2 TRP 22 5.867 7.551 5.595
137 HB3 TRP 22 HB1 TRP 22 6.363 5.991 6.138
138 HD1 TRP 22 HD1 TRP 22 7.742 4.524 4.066
139 HE1 TRP 22 HE1 TRP 22 9.358 5.480 2.293
140 HE3 TRP 22 HE3 TRP 22 6.396 9.232 4.453
141 HZ2 TRP 22 HZ2 TRP 22 9.973 8.045 1.202
142 HZ3 TRP 22 HZ3 TRP 22 7.509 11.029 3.025
143 HH2 TRP 22 HH2 TRP 22 9.275 10.390 1.438
144 H ASN 23 HN ASN 23 4.157 6.029 2.313
145 HA ASN 23 HA ASN 23 3.485 8.822 1.987
146 HB2 ASN 23 HB2 ASN 23 3.450 8.303 -0.403
147 HB3 ASN 23 HB1 ASN 23 4.930 7.694 0.322
148 HD21 ASN 23 HD21 ASN 23 3.781 6.868 -2.126
149 HD22 ASN 23 HD22 ASN 23 3.391 5.189 -1.987
150 H PHE 24 HN PHE 24 1.959 6.035 2.898
151 HA PHE 24 HA PHE 24 -0.134 5.318 3.122
152 HB2 PHE 24 HB2 PHE 24 -0.646 8.273 2.848
153 HB3 PHE 24 HB1 PHE 24 -1.967 7.134 3.111
154 HD1 PHE 24 HD1 PHE 24 -2.370 6.202 5.219
155 HD2 PHE 24 HD2 PHE 24 1.160 8.474 4.568
156 HE1 PHE 24 HE1 PHE 24 -1.929 6.201 7.633
157 HE2 PHE 24 HE2 PHE 24 1.610 8.479 6.980
158 HZ PHE 24 HZ PHE 24 0.062 7.337 8.519
159 H LYS 25 HN LYS 25 1.027 5.057 0.678
160 HA LYS 25 HA LYS 25 -1.337 4.771 -1.004
161 HB2 LYS 25 HB2 LYS 25 1.397 5.697 -1.719
162 HB3 LYS 25 HB1 LYS 25 0.238 5.179 -2.947
163 HG2 LYS 25 HG2 LYS 25 -1.179 7.078 -2.397
164 HG3 LYS 25 HG1 LYS 25 -0.146 7.495 -1.029
165 HD2 LYS 25 HD2 LYS 25 0.349 9.000 -2.851
166 HD3 LYS 25 HD1 LYS 25 1.713 7.913 -2.621
167 HE2 LYS 25 HE2 LYS 25 1.353 8.133 -4.978
168 HE3 LYS 25 HE1 LYS 25 0.811 6.529 -4.512
169 HZ1 LYS 25 HZ1 LYS 25 -1.469 7.299 -4.548
170 HZ2 LYS 25 HZ2 LYS 25 -0.737 7.623 -6.024
171 HZ3 LYS 25 HZ3 LYS 25 -0.973 8.868 -4.913
172 H CYS 26 HN CYS 26 -1.340 2.808 -2.031
173 HA CYS 26 HA CYS 26 0.204 0.749 -0.917
174 HB2 CYS 26 HB2 CYS 26 -1.640 0.947 -3.226
175 HB3 CYS 26 HB1 CYS 26 -0.928 -0.618 -2.767
176 H ASN 27 HN ASN 27 2.080 -0.019 -1.453
177 HA ASN 27 HA ASN 27 3.364 0.894 -3.940
178 HB2 ASN 27 HB2 ASN 27 4.645 0.491 -1.205
179 HB3 ASN 27 HB1 ASN 27 5.514 0.895 -2.673
180 HD21 ASN 27 HD21 ASN 27 5.451 2.303 -0.177
181 HD22 ASN 27 HD22 ASN 27 4.817 3.878 -0.470
182 HA HYP 28 HA HYP 28 4.309 -3.545 -4.085
183 HB2 HYP 28 HB1 HYP 28 5.137 -3.741 -6.226
184 HB3 HYP 28 HB2 HYP 28 6.672 -3.018 -5.738
185 HG HYP 28 HG HYP 28 5.831 -1.345 -7.149
186 HD22 HYP 28 HD11 HYP 28 4.458 0.174 -5.443
187 HD23 HYP 28 HD12 HYP 28 6.145 -0.223 -5.051
188 HD1 HYP 28 HD2 HYP 28 3.545 -0.787 -6.875
189 HA HYP 29 HA HYP 29 7.513 -4.399 -1.215
190 HB2 HYP 29 HB1 HYP 29 7.626 -6.699 -1.047
191 HB3 HYP 29 HB2 HYP 29 8.144 -6.879 -2.730
192 HG HYP 29 HG HYP 29 5.869 -7.651 -2.715
193 HD22 HYP 29 HD11 HYP 29 4.745 -5.459 -3.673
194 HD23 HYP 29 HD12 HYP 29 6.218 -6.025 -4.496
195 HD1 HYP 29 HD2 HYP 29 4.383 -5.920 -1.849
196 H ASN 30 HN ASN 30 9.494 -3.701 -1.063
197 HA ASN 30 HA ASN 30 11.069 -3.150 -3.426
198 HB2 ASN 30 HB2 ASN 30 11.747 -2.720 -0.504
199 HB3 ASN 30 HB1 ASN 30 12.578 -2.011 -1.886
200 HD21 ASN 30 HD21 ASN 30 11.560 -0.341 -3.034
201 HD22 ASN 30 HD22 ASN 30 10.203 0.507 -2.394
202 H GLN 31 HN GLN 31 10.985 -5.263 -0.744
203 HA GLN 31 HA GLN 31 12.894 -7.065 -1.967
204 HB2 GLN 31 HB2 GLN 31 12.846 -6.215 0.947
205 HB3 GLN 31 HB1 GLN 31 13.691 -7.635 0.366
206 HG2 GLN 31 HG2 GLN 31 14.305 -4.810 -0.495
207 HG3 GLN 31 HG1 GLN 31 15.149 -5.684 0.782
208 HE21 GLN 31 HE21 GLN 31 14.631 -5.419 -2.618
209 HE22 GLN 31 HE22 GLN 31 15.951 -6.411 -3.114