Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
655122 | 7l54 RC | 30829 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HN GLY 1 -6.880 -5.902 0.423
2 HA2 GLY 1 HA2 GLY 1 -5.142 -3.643 0.899
3 HA3 GLY 1 HA1 GLY 1 -5.692 -4.234 -0.657
4 H PHE 2 HN PHE 2 -5.740 -1.796 -0.783
5 HA PHE 2 HA PHE 2 -8.469 -0.925 -0.409
6 HB2 PHE 2 HB2 PHE 2 -7.861 1.173 0.690
7 HB3 PHE 2 HB1 PHE 2 -7.287 -0.170 1.664
8 HD1 PHE 2 HD1 PHE 2 -6.403 2.824 -0.124
9 HD2 PHE 2 HD2 PHE 2 -4.812 -0.730 1.604
10 HE1 PHE 2 HE1 PHE 2 -4.164 3.828 -0.131
11 HE2 PHE 2 HE2 PHE 2 -2.572 0.273 1.600
12 HZ PHE 2 HZ PHE 2 -2.243 2.557 0.733
13 H CYS 3 HN CYS 3 -8.837 1.078 -1.699
14 HA CYS 3 HA CYS 3 -6.772 1.574 -3.676
15 HB2 CYS 3 HB2 CYS 3 -8.308 -0.155 -4.595
16 HB3 CYS 3 HB1 CYS 3 -9.647 0.965 -4.387
17 H TRP 4 HN TRP 4 -6.342 3.602 -3.215
18 HA TRP 4 HA TRP 4 -8.553 5.536 -3.059
19 HB2 TRP 4 HB2 TRP 4 -7.742 5.077 -0.832
20 HB3 TRP 4 HB1 TRP 4 -6.097 5.393 -1.348
21 HD1 TRP 4 HD1 TRP 4 -5.290 7.681 -1.252
22 HE1 TRP 4 HE1 TRP 4 -6.257 10.050 -0.631
23 HE3 TRP 4 3HE TRP 4 -10.194 6.479 -1.108
24 HZ2 TRP 4 HZ2 TRP 4 -8.796 11.175 -0.194
25 HZ3 TRP 4 HZ3 TRP 4 -11.851 8.259 -0.631
26 HH2 TRP 4 2HH TRP 4 -11.150 10.534 -0.169
27 H HIS 5 HN HIS 5 -8.408 6.243 -5.056
28 HA HIS 5 HA HIS 5 -7.732 7.503 -6.772
29 HB2 HIS 5 HB2 HIS 5 -6.410 9.081 -4.560
30 HB3 HIS 5 HB1 HIS 5 -6.680 9.681 -6.190
31 HD1 HIS 5 HD1 HIS 5 -8.852 10.965 -6.463
32 HD2 HIS 5 HD2 HIS 5 -8.919 8.349 -3.249
33 HE1 HIS 5 HE1 HIS 5 -11.066 11.352 -5.219
34 H HIS 6 HN HIS 6 -6.498 5.622 -7.369
35 HA HIS 6 HA HIS 6 -4.802 4.755 -8.557
36 HB2 HIS 6 HB2 HIS 6 -3.444 7.445 -8.211
37 HB3 HIS 6 HB1 HIS 6 -2.819 6.152 -9.225
38 HD1 HIS 6 HD1 HIS 6 -4.900 9.119 -9.380
39 HD2 HIS 6 HD2 HIS 6 -4.713 5.475 -11.371
40 HE1 HIS 6 HE1 HIS 6 -6.232 9.421 -11.486
41 H SER 7 HN SER 7 -4.507 5.544 -5.333
42 HA SER 7 HA SER 7 -2.041 4.008 -5.133
43 HB2 SER 7 HB2 SER 7 -3.553 5.519 -2.986
44 HB3 SER 7 HB1 SER 7 -1.921 4.845 -2.862
45 HG SER 7 HG SER 7 -2.193 6.438 -5.013
46 H CYS 8 HN CYS 8 -2.881 2.029 -5.575
47 HA CYS 8 HA CYS 8 -4.917 1.062 -3.739
48 HB2 CYS 8 HB2 CYS 8 -4.773 0.410 -6.694
49 HB3 CYS 8 HB1 CYS 8 -6.015 -0.110 -5.556
50 H VAL 9 HN VAL 9 -3.860 -0.231 -2.502
51 HA VAL 9 HA VAL 9 -1.805 -1.980 -3.581
52 HB VAL 9 HB VAL 9 -2.666 -1.524 -0.698
53 HG11 VAL 9 HG11 VAL 9 -0.294 -3.014 -1.818
54 HG12 VAL 9 HG12 VAL 9 -1.682 -3.723 -0.991
55 HG13 VAL 9 3HG1 VAL 9 -0.566 -2.677 -0.110
56 HG21 VAL 9 HG21 VAL 9 -0.576 -0.258 -0.452
57 HG22 VAL 9 HG22 VAL 9 -1.639 0.481 -1.650
58 HG23 VAL 9 HG23 VAL 9 -0.249 -0.470 -2.171
59 HA PRO 10 HA PRO 10 -5.097 -5.036 -3.884
60 HB2 PRO 10 HB2 PRO 10 -2.764 -6.803 -4.348
61 HB3 PRO 10 HB1 PRO 10 -4.220 -6.594 -5.325
62 HG2 PRO 10 HG2 PRO 10 -1.940 -5.551 -6.161
63 HG3 PRO 10 HG1 PRO 10 -3.432 -4.605 -6.282
64 HD2 PRO 10 HD2 PRO 10 -1.256 -4.420 -4.227
65 HD3 PRO 10 HD1 PRO 10 -2.095 -3.129 -5.128
66 H SER 11 HN SER 11 -5.826 -6.790 -2.699
67 HA SER 11 HA SER 11 -4.929 -7.043 -0.040
68 HB2 SER 11 HB2 SER 11 -6.793 -8.803 -1.646
69 HB3 SER 11 HB1 SER 11 -6.634 -8.802 0.112
70 HG SER 11 HG SER 11 -8.385 -7.582 -0.675
71 H GLY 12 HN GLY 12 -3.105 -8.043 0.527
72 HA2 GLY 12 HA2 GLY 12 -2.129 -10.240 0.863
73 HA3 GLY 12 HA1 GLY 12 -2.433 -10.552 -0.846
74 H THR 13 HN THR 13 -1.675 -7.501 -1.001
75 HA THR 13 HA THR 13 0.991 -8.089 -1.793
76 HB THR 13 HB THR 13 -0.571 -5.498 -1.869
77 HG1 THR 13 HG1 THR 13 -0.963 -7.626 -3.199
78 HG21 THR 13 HG21 THR 13 1.136 -4.737 -3.465
79 HG22 THR 13 HG22 THR 13 2.011 -6.252 -3.267
80 HG23 THR 13 HG23 THR 13 1.887 -5.125 -1.915
81 H CYS 14 HN CYS 14 2.359 -8.348 -0.259
82 HA CYS 14 HA CYS 14 2.742 -6.169 1.648
83 HB2 CYS 14 HB2 CYS 14 3.451 -9.092 2.034
84 HB3 CYS 14 HB1 CYS 14 3.727 -7.803 3.195
85 H ALA 15 HN ALA 15 4.280 -4.989 0.838
86 HA ALA 15 HA ALA 15 6.812 -6.140 0.134
87 HB1 ALA 15 HB1 ALA 15 5.594 -6.446 -1.965
88 HB2 ALA 15 HB2 ALA 15 6.832 -5.200 -2.140
89 HB3 ALA 15 HB3 ALA 15 5.139 -4.742 -1.960
90 H ASP 16 HN ASP 16 8.212 -4.224 -0.720
91 HA ASP 16 HA ASP 16 7.777 -2.052 1.140
92 HB2 ASP 16 HB2 ASP 16 10.077 -1.387 0.604
93 HB3 ASP 16 HB1 ASP 16 10.004 -3.079 1.082
94 H PHE 17 HN PHE 17 7.421 -0.052 0.610
95 HA PHE 17 HA PHE 17 7.281 0.770 -2.187
96 HB2 PHE 17 HB2 PHE 17 5.281 1.309 0.042
97 HB3 PHE 17 HB1 PHE 17 5.272 2.139 -1.503
98 HD1 PHE 17 HD1 PHE 17 4.272 1.144 -3.412
99 HD2 PHE 17 HD2 PHE 17 4.760 -1.118 0.151
100 HE1 PHE 17 HE1 PHE 17 2.791 -0.594 -4.316
101 HE2 PHE 17 HE2 PHE 17 3.279 -2.865 -0.743
102 HZ PHE 17 HZ PHE 17 2.290 -2.605 -2.978
103 HA PRO 18 HA PRO 18 9.783 4.237 -0.917
104 HB2 PRO 18 HB2 PRO 18 7.576 5.981 -1.920
105 HB3 PRO 18 HB1 PRO 18 9.307 6.054 -2.264
106 HG2 PRO 18 HG2 PRO 18 7.650 5.052 -4.068
107 HG3 PRO 18 HG1 PRO 18 9.217 4.277 -3.768
108 HD2 PRO 18 HD2 PRO 18 6.489 3.428 -2.907
109 HD3 PRO 18 HD1 PRO 18 7.876 2.444 -3.411
110 H TRP 19 HN TRP 19 10.026 5.470 0.876
111 HA TRP 19 HA TRP 19 8.069 5.494 2.975
112 HB2 TRP 19 HB2 TRP 19 10.703 5.624 2.992
113 HB3 TRP 19 HB1 TRP 19 10.435 7.348 2.797
114 HD1 TRP 19 HD1 TRP 19 9.489 8.618 4.796
115 HE1 TRP 19 HE1 TRP 19 9.167 8.028 7.338
116 HE3 TRP 19 3HE TRP 19 10.127 3.662 4.478
117 HZ2 TRP 19 HZ2 TRP 19 9.190 5.700 8.926
118 HZ3 TRP 19 HZ3 TRP 19 9.958 2.261 6.524
119 HH2 TRP 19 2HH TRP 19 9.497 3.282 8.698
120 HA PRO 20 HA PRO 20 7.512 7.183 4.804
121 HB2 PRO 20 HB2 PRO 20 5.094 7.949 5.591
122 HB3 PRO 20 HB1 PRO 20 6.414 9.100 5.340
123 HG2 PRO 20 HG2 PRO 20 4.131 8.422 3.532
124 HG3 PRO 20 HG1 PRO 20 4.791 10.015 3.942
125 HD2 PRO 20 HD2 PRO 20 5.400 8.656 1.642
126 HD3 PRO 20 HD1 PRO 20 6.479 9.838 2.404
127 H LEU 21 HN LEU 21 5.954 5.645 2.316
128 HA LEU 21 HA LEU 21 4.167 4.112 3.915
129 HB2 LEU 21 HB2 LEU 21 5.227 3.655 1.128
130 HB3 LEU 21 HB1 LEU 21 4.215 2.479 1.931
131 HG LEU 21 HG LEU 21 2.416 4.210 2.080
132 HD11 LEU 21 HD11 LEU 21 3.742 6.220 1.939
133 HD12 LEU 21 HD12 LEU 21 2.545 6.174 0.640
134 HD13 LEU 21 HD13 LEU 21 4.237 5.798 0.300
135 HD21 LEU 21 HD21 LEU 21 2.379 2.536 0.330
136 HD22 LEU 21 HD22 LEU 21 3.409 3.545 -0.685
137 HD23 LEU 21 HD23 LEU 21 1.778 4.077 -0.281
138 H GLY 22 HN GLY 22 7.202 3.107 2.313
139 HA2 GLY 22 HA2 GLY 22 8.887 1.803 3.216
140 HA3 GLY 22 HA1 GLY 22 8.004 1.775 4.743
141 H HIS 23 HN HIS 23 7.758 -0.341 5.183
142 HA HIS 23 HA HIS 23 7.053 -2.112 3.017
143 HB2 HIS 23 HB2 HIS 23 8.612 -2.856 4.864
144 HB3 HIS 23 HB1 HIS 23 7.241 -2.770 5.967
145 HD1 HIS 23 HD1 HIS 23 5.649 -4.805 5.997
146 HD2 HIS 23 HD2 HIS 23 8.360 -4.849 2.846
147 HE1 HIS 23 HE1 HIS 23 5.422 -7.053 4.914
148 H GLN 24 HN GLN 24 5.079 -2.498 2.468
149 HA GLN 24 HA GLN 24 2.925 -1.803 4.341
150 HB2 GLN 24 HB2 GLN 24 2.952 -1.719 1.322
151 HB3 GLN 24 HB1 GLN 24 1.542 -1.422 2.321
152 HG2 GLN 24 HG2 GLN 24 4.065 0.220 2.385
153 HG3 GLN 24 HG1 GLN 24 2.620 0.622 1.459
154 HE21 GLN 24 1HE2 GLN 24 3.990 0.358 4.638
155 HE22 GLN 24 2HE2 GLN 24 2.784 1.270 5.455
156 H CYS 25 HN CYS 25 1.810 -3.501 4.971
157 HA CYS 25 HA CYS 25 1.669 -5.785 3.167
158 HB2 CYS 25 HB2 CYS 25 3.280 -6.294 4.971
159 HB3 CYS 25 HB1 CYS 25 2.045 -5.931 6.167
160 H PHE 26 HN PHE 26 -0.297 -5.425 2.446
161 HA PHE 26 HA PHE 26 -2.366 -5.147 4.485
162 HB2 PHE 26 HB2 PHE 26 -2.356 -4.200 1.613
163 HB3 PHE 26 HB1 PHE 26 -3.798 -4.229 2.620
164 HD1 PHE 26 HD1 PHE 26 -0.631 -2.538 1.951
165 HD2 PHE 26 HD2 PHE 26 -4.027 -2.691 4.508
166 HE1 PHE 26 HE1 PHE 26 -0.075 -0.305 2.853
167 HE2 PHE 26 HE2 PHE 26 -3.463 -0.487 5.403
168 HZ PHE 26 HZ PHE 26 -1.483 0.708 4.567
169 HA PRO 27 HA PRO 27 -3.285 -9.401 3.114
170 HB2 PRO 27 HB2 PRO 27 -5.113 -9.092 5.442
171 HB3 PRO 27 HB1 PRO 27 -3.983 -10.403 5.087
172 HG2 PRO 27 HG2 PRO 27 -3.435 -8.658 7.014
173 HG3 PRO 27 HG1 PRO 27 -2.157 -9.228 5.931
174 HD2 PRO 27 HD2 PRO 27 -3.643 -6.639 5.897
175 HD3 PRO 27 HD1 PRO 27 -1.912 -6.945 5.641
176 H ASP 28 HN ASP 28 -5.269 -6.735 4.073
177 HA ASP 28 HA ASP 28 -7.135 -7.308 1.921
178 HB2 ASP 28 HB2 ASP 28 -8.963 -6.264 3.208
179 HB3 ASP 28 HB1 ASP 28 -8.312 -7.614 4.117
Start of MODEL 2
1 H1 GLY 1 HN GLY 1 -5.879 -7.919 -0.287
2 HA2 GLY 1 HA2 GLY 1 -5.249 -5.127 -0.227
3 HA3 GLY 1 HA1 GLY 1 -5.442 -6.121 -1.657
4 H PHE 2 HN PHE 2 -6.413 -3.828 -2.120
5 HA PHE 2 HA PHE 2 -9.206 -4.104 -2.290
6 HB2 PHE 2 HB2 PHE 2 -9.845 -2.098 -0.933
7 HB3 PHE 2 HB1 PHE 2 -9.267 -3.453 0.020
8 HD1 PHE 2 HD1 PHE 2 -8.603 -0.022 -1.066
9 HD2 PHE 2 HD2 PHE 2 -7.162 -3.299 1.244
10 HE1 PHE 2 HE1 PHE 2 -7.037 1.473 0.084
11 HE2 PHE 2 HE2 PHE 2 -5.592 -1.801 2.388
12 HZ PHE 2 HZ PHE 2 -5.528 0.588 1.813
13 H CYS 3 HN CYS 3 -10.219 -2.142 -3.276
14 HA CYS 3 HA CYS 3 -8.284 -0.543 -4.781
15 HB2 CYS 3 HB2 CYS 3 -10.863 -1.730 -5.843
16 HB3 CYS 3 HB1 CYS 3 -9.847 -0.589 -6.699
17 H TRP 4 HN TRP 4 -8.489 1.392 -3.910
18 HA TRP 4 HA TRP 4 -11.166 2.535 -3.818
19 HB2 TRP 4 HB2 TRP 4 -10.823 3.568 -1.685
20 HB3 TRP 4 HB1 TRP 4 -10.283 1.914 -1.484
21 HD1 TRP 4 HD1 TRP 4 -7.234 2.333 -2.581
22 HE1 TRP 4 HE1 TRP 4 -5.578 3.639 -1.126
23 HE3 TRP 4 3HE TRP 4 -10.569 4.869 0.345
24 HZ2 TRP 4 HZ2 TRP 4 -5.676 5.523 0.986
25 HZ3 TRP 4 HZ3 TRP 4 -9.698 6.391 2.068
26 HH2 TRP 4 2HH TRP 4 -7.298 6.700 2.377
27 H HIS 5 HN HIS 5 -11.131 4.819 -4.403
28 HA HIS 5 HA HIS 5 -10.324 6.662 -5.578
29 HB2 HIS 5 HB2 HIS 5 -7.774 5.715 -4.294
30 HB3 HIS 5 HB1 HIS 5 -7.798 7.132 -5.304
31 HD1 HIS 5 HD1 HIS 5 -7.452 9.018 -3.716
32 HD2 HIS 5 HD2 HIS 5 -10.118 6.214 -2.212
33 HE1 HIS 5 HE1 HIS 5 -8.133 9.857 -1.431
34 H HIS 6 HN HIS 6 -10.323 3.872 -6.722
35 HA HIS 6 HA HIS 6 -9.770 2.744 -8.601
36 HB2 HIS 6 HB2 HIS 6 -10.324 4.957 -9.680
37 HB3 HIS 6 HB1 HIS 6 -8.627 5.391 -9.565
38 HD1 HIS 6 HD1 HIS 6 -7.496 5.136 -11.794
39 HD2 HIS 6 HD2 HIS 6 -10.552 2.370 -11.249
40 HE1 HIS 6 HE1 HIS 6 -7.620 3.822 -13.928
41 H SER 7 HN SER 7 -7.903 3.101 -6.319
42 HA SER 7 HA SER 7 -5.396 2.385 -7.639
43 HB2 SER 7 HB2 SER 7 -5.903 3.411 -4.839
44 HB3 SER 7 HB1 SER 7 -4.324 3.072 -5.552
45 HG SER 7 HG SER 7 -6.159 4.871 -6.706
46 H CYS 8 HN CYS 8 -5.000 0.267 -7.554
47 HA CYS 8 HA CYS 8 -6.423 -1.336 -5.571
48 HB2 CYS 8 HB2 CYS 8 -5.369 -2.057 -8.292
49 HB3 CYS 8 HB1 CYS 8 -6.010 -3.224 -7.141
50 H VAL 9 HN VAL 9 -5.308 -2.116 -4.006
51 HA VAL 9 HA VAL 9 -2.500 -2.687 -4.487
52 HB VAL 9 HB VAL 9 -2.220 -2.738 -1.990
53 HG11 VAL 9 HG11 VAL 9 -1.642 -0.751 -3.267
54 HG12 VAL 9 HG12 VAL 9 -2.253 -0.324 -1.670
55 HG13 VAL 9 3HG1 VAL 9 -3.290 -0.147 -3.088
56 HG21 VAL 9 HG21 VAL 9 -4.538 -3.171 -1.327
57 HG22 VAL 9 HG22 VAL 9 -5.020 -1.593 -1.947
58 HG23 VAL 9 HG23 VAL 9 -3.935 -1.701 -0.561
59 HA PRO 10 HA PRO 10 -3.840 -6.967 -4.523
60 HB2 PRO 10 HB2 PRO 10 -0.902 -7.384 -4.271
61 HB3 PRO 10 HB1 PRO 10 -2.028 -8.050 -5.459
62 HG2 PRO 10 HG2 PRO 10 -0.334 -6.131 -6.150
63 HG3 PRO 10 HG1 PRO 10 -1.998 -6.135 -6.761
64 HD2 PRO 10 HD2 PRO 10 -0.786 -4.495 -4.578
65 HD3 PRO 10 HD1 PRO 10 -1.944 -4.026 -5.848
66 H SER 11 HN SER 11 -3.601 -8.803 -3.038
67 HA SER 11 HA SER 11 -3.503 -7.965 -0.313
68 HB2 SER 11 HB2 SER 11 -3.875 -10.727 -1.494
69 HB3 SER 11 HB1 SER 11 -4.191 -10.273 0.181
70 HG SER 11 HG SER 11 -6.093 -10.258 -1.014
71 H GLY 12 HN GLY 12 -1.068 -8.564 -2.283
72 HA2 GLY 12 HA2 GLY 12 0.583 -9.865 -0.248
73 HA3 GLY 12 HA1 GLY 12 0.911 -9.892 -1.981
74 H THR 13 HN THR 13 -0.326 -6.940 -0.937
75 HA THR 13 HA THR 13 2.119 -5.607 -1.498
76 HB THR 13 HB THR 13 -0.422 -4.495 -0.267
77 HG1 THR 13 HG1 THR 13 -1.010 -5.094 -2.220
78 HG21 THR 13 HG21 THR 13 1.903 -3.080 -1.605
79 HG22 THR 13 HG22 THR 13 1.527 -3.040 0.117
80 HG23 THR 13 HG23 THR 13 0.419 -2.307 -1.044
81 H CYS 14 HN CYS 14 3.551 -6.305 -0.075
82 HA CYS 14 HA CYS 14 3.420 -4.997 2.511
83 HB2 CYS 14 HB2 CYS 14 2.644 -7.311 2.958
84 HB3 CYS 14 HB1 CYS 14 4.149 -7.926 2.283
85 H ALA 15 HN ALA 15 4.925 -3.609 2.173
86 HA ALA 15 HA ALA 15 7.646 -4.413 2.081
87 HB1 ALA 15 HB1 ALA 15 8.226 -3.264 -0.005
88 HB2 ALA 15 HB2 ALA 15 6.519 -2.948 -0.316
89 HB3 ALA 15 HB3 ALA 15 7.124 -4.606 -0.316
90 H ASP 16 HN ASP 16 9.026 -2.438 2.173
91 HA ASP 16 HA ASP 16 7.567 -0.325 3.531
92 HB2 ASP 16 HB2 ASP 16 9.729 0.343 4.474
93 HB3 ASP 16 HB1 ASP 16 9.433 -1.360 4.786
94 H PHE 17 HN PHE 17 7.613 1.725 2.838
95 HA PHE 17 HA PHE 17 9.164 2.437 0.460
96 HB2 PHE 17 HB2 PHE 17 6.223 3.070 0.875
97 HB3 PHE 17 HB1 PHE 17 7.183 3.598 -0.487
98 HD1 PHE 17 HD1 PHE 17 5.142 1.029 0.934
99 HD2 PHE 17 HD2 PHE 17 7.943 1.857 -2.150
100 HE1 PHE 17 HE1 PHE 17 4.393 -0.977 -0.272
101 HE2 PHE 17 HE2 PHE 17 7.200 -0.150 -3.365
102 HZ PHE 17 HZ PHE 17 5.417 -1.568 -2.418
103 HA PRO 18 HA PRO 18 9.472 5.076 4.326
104 HB2 PRO 18 HB2 PRO 18 11.909 6.178 3.408
105 HB3 PRO 18 HB1 PRO 18 11.709 4.932 4.638
106 HG2 PRO 18 HG2 PRO 18 12.428 4.668 1.780
107 HG3 PRO 18 HG1 PRO 18 12.833 3.621 3.144
108 HD2 PRO 18 HD2 PRO 18 11.008 2.943 1.276
109 HD3 PRO 18 HD1 PRO 18 10.882 2.411 2.961
110 H TRP 19 HN TRP 19 10.575 6.293 1.166
111 HA TRP 19 HA TRP 19 9.548 8.838 1.972
112 HB2 TRP 19 HB2 TRP 19 11.488 8.041 -0.114
113 HB3 TRP 19 HB1 TRP 19 10.672 9.598 -0.221
114 HD1 TRP 19 HD1 TRP 19 10.977 11.243 1.875
115 HE1 TRP 19 HE1 TRP 19 13.043 11.571 3.441
116 HE3 TRP 19 3HE TRP 19 13.378 6.856 0.945
117 HZ2 TRP 19 HZ2 TRP 19 15.368 10.108 4.155
118 HZ3 TRP 19 HZ3 TRP 19 15.502 6.376 2.102
119 HH2 TRP 19 2HH TRP 19 16.468 7.977 3.673
120 HA PRO 20 HA PRO 20 8.026 9.502 2.592
121 HB2 PRO 20 HB2 PRO 20 5.892 11.207 1.981
122 HB3 PRO 20 HB1 PRO 20 7.596 11.640 1.809
123 HG2 PRO 20 HG2 PRO 20 5.826 11.529 -0.303
124 HG3 PRO 20 HG1 PRO 20 7.569 11.359 -0.455
125 HD2 PRO 20 HD2 PRO 20 5.546 9.125 -0.189
126 HD3 PRO 20 HD1 PRO 20 6.836 9.314 -1.412
127 H LEU 21 HN LEU 21 6.820 7.046 2.021
128 HA LEU 21 HA LEU 21 3.990 7.355 2.724
129 HB2 LEU 21 HB2 LEU 21 5.437 5.020 1.511
130 HB3 LEU 21 HB1 LEU 21 3.727 5.046 1.847
131 HG LEU 21 HG LEU 21 5.183 6.769 -0.164
132 HD11 LEU 21 HD11 LEU 21 3.249 4.493 -0.535
133 HD12 LEU 21 HD12 LEU 21 4.983 4.452 -0.853
134 HD13 LEU 21 HD13 LEU 21 3.934 5.488 -1.821
135 HD21 LEU 21 HD21 LEU 21 2.948 7.509 -0.866
136 HD22 LEU 21 HD22 LEU 21 3.304 7.997 0.787
137 HD23 LEU 21 HD23 LEU 21 2.234 6.628 0.482
138 H GLY 22 HN GLY 22 6.467 4.857 3.349
139 HA2 GLY 22 HA2 GLY 22 7.105 4.732 5.783
140 HA3 GLY 22 HA1 GLY 22 5.371 4.635 6.069
141 H HIS 23 HN HIS 23 4.943 2.634 6.673
142 HA HIS 23 HA HIS 23 6.200 0.409 5.218
143 HB2 HIS 23 HB2 HIS 23 6.744 0.524 7.627
144 HB3 HIS 23 HB1 HIS 23 5.032 0.500 8.014
145 HD1 HIS 23 HD1 HIS 23 3.985 -1.774 8.312
146 HD2 HIS 23 HD2 HIS 23 7.716 -1.929 6.493
147 HE1 HIS 23 HE1 HIS 23 4.610 -4.213 8.223
148 H GLN 24 HN GLN 24 4.837 -0.539 3.781
149 HA GLN 24 HA GLN 24 1.953 -0.379 4.297
150 HB2 GLN 24 HB2 GLN 24 3.524 -0.314 1.757
151 HB3 GLN 24 HB1 GLN 24 1.876 -0.895 1.744
152 HG2 GLN 24 HG2 GLN 24 1.994 1.408 1.058
153 HG3 GLN 24 HG1 GLN 24 1.104 1.264 2.559
154 HE21 GLN 24 1HE2 GLN 24 1.881 2.248 4.357
155 HE22 GLN 24 2HE2 GLN 24 3.225 3.328 4.361
156 H CYS 25 HN CYS 25 1.303 -2.233 5.104
157 HA CYS 25 HA CYS 25 1.756 -4.588 3.494
158 HB2 CYS 25 HB2 CYS 25 2.265 -4.532 6.476
159 HB3 CYS 25 HB1 CYS 25 1.989 -6.022 5.584
160 H PHE 26 HN PHE 26 -0.040 -5.086 2.785
161 HA PHE 26 HA PHE 26 -2.416 -4.924 4.501
162 HB2 PHE 26 HB2 PHE 26 -2.246 -4.664 1.481
163 HB3 PHE 26 HB1 PHE 26 -3.717 -4.576 2.439
164 HD1 PHE 26 HD1 PHE 26 -0.862 -2.772 1.170
165 HD2 PHE 26 HD2 PHE 26 -4.039 -2.648 3.990
166 HE1 PHE 26 HE1 PHE 26 -0.557 -0.343 1.398
167 HE2 PHE 26 HE2 PHE 26 -3.736 -0.216 4.227
168 HZ PHE 26 HZ PHE 26 -1.995 0.937 2.928
169 HA PRO 27 HA PRO 27 -1.992 -9.406 3.803
170 HB2 PRO 27 HB2 PRO 27 -4.334 -9.443 5.613
171 HB3 PRO 27 HB1 PRO 27 -2.789 -10.281 5.775
172 HG2 PRO 27 HG2 PRO 27 -3.398 -8.199 7.339
173 HG3 PRO 27 HG1 PRO 27 -1.747 -8.454 6.747
174 HD2 PRO 27 HD2 PRO 27 -3.834 -6.543 5.775
175 HD3 PRO 27 HD1 PRO 27 -2.086 -6.299 5.996
176 H ASP 28 HN ASP 28 -4.762 -7.333 3.575
177 HA ASP 28 HA ASP 28 -5.901 -9.057 1.512
178 HB2 ASP 28 HB2 ASP 28 -7.177 -9.229 3.714
179 HB3 ASP 28 HB1 ASP 28 -7.542 -7.516 3.542
Start of MODEL 3
1 H1 GLY 1 HN GLY 1 -6.290 -5.926 -1.817
2 HA2 GLY 1 HA2 GLY 1 -5.138 -3.497 -0.768
3 HA3 GLY 1 HA1 GLY 1 -5.245 -3.966 -2.462
4 H PHE 2 HN PHE 2 -5.859 -1.649 -2.624
5 HA PHE 2 HA PHE 2 -8.703 -1.447 -2.693
6 HB2 PHE 2 HB2 PHE 2 -8.852 0.608 -1.326
7 HB3 PHE 2 HB1 PHE 2 -8.346 -0.775 -0.373
8 HD1 PHE 2 HD1 PHE 2 -7.576 2.564 -1.429
9 HD2 PHE 2 HD2 PHE 2 -5.887 -0.962 0.253
10 HE1 PHE 2 HE1 PHE 2 -5.674 3.870 -0.604
11 HE2 PHE 2 HE2 PHE 2 -3.979 0.343 1.079
12 HZ PHE 2 HZ PHE 2 -3.870 2.766 0.652
13 H CYS 3 HN CYS 3 -9.413 0.426 -3.810
14 HA CYS 3 HA CYS 3 -7.393 1.889 -5.315
15 HB2 CYS 3 HB2 CYS 3 -9.769 0.399 -6.432
16 HB3 CYS 3 HB1 CYS 3 -8.990 1.704 -7.304
17 H TRP 4 HN TRP 4 -7.724 3.920 -4.715
18 HA TRP 4 HA TRP 4 -10.304 5.070 -5.161
19 HB2 TRP 4 HB2 TRP 4 -10.732 5.900 -2.988
20 HB3 TRP 4 HB1 TRP 4 -10.220 4.242 -2.703
21 HD1 TRP 4 HD1 TRP 4 -7.019 4.778 -2.647
22 HE1 TRP 4 HE1 TRP 4 -5.997 6.090 -0.683
23 HE3 TRP 4 3HE TRP 4 -11.241 7.082 -0.944
24 HZ2 TRP 4 HZ2 TRP 4 -6.883 7.876 1.323
25 HZ3 TRP 4 HZ3 TRP 4 -11.078 8.560 1.009
26 HH2 TRP 4 2HH TRP 4 -8.939 8.941 2.124
27 H HIS 5 HN HIS 5 -10.072 7.341 -5.545
28 HA HIS 5 HA HIS 5 -8.975 9.252 -6.214
29 HB2 HIS 5 HB2 HIS 5 -7.016 8.270 -4.124
30 HB3 HIS 5 HB1 HIS 5 -6.763 9.779 -4.973
31 HD1 HIS 5 HD1 HIS 5 -7.251 11.547 -3.212
32 HD2 HIS 5 HD2 HIS 5 -10.045 8.477 -3.183
33 HE1 HIS 5 HE1 HIS 5 -8.959 12.170 -1.481
34 H HIS 6 HN HIS 6 -8.533 6.650 -7.522
35 HA HIS 6 HA HIS 6 -7.386 5.645 -9.140
36 HB2 HIS 6 HB2 HIS 6 -6.222 8.408 -9.523
37 HB3 HIS 6 HB1 HIS 6 -5.838 7.061 -10.593
38 HD1 HIS 6 HD1 HIS 6 -7.933 9.890 -10.532
39 HD2 HIS 6 HD2 HIS 6 -8.516 5.902 -11.535
40 HE1 HIS 6 HE1 HIS 6 -9.955 9.849 -12.010
41 H SER 7 HN SER 7 -6.384 5.751 -6.392
42 HA SER 7 HA SER 7 -3.584 5.061 -6.878
43 HB2 SER 7 HB2 SER 7 -5.023 5.642 -4.270
44 HB3 SER 7 HB1 SER 7 -3.284 5.430 -4.488
45 HG SER 7 HG SER 7 -4.228 7.285 -6.163
46 H CYS 8 HN CYS 8 -3.538 2.899 -7.324
47 HA CYS 8 HA CYS 8 -5.300 1.180 -5.766
48 HB2 CYS 8 HB2 CYS 8 -4.053 0.767 -8.464
49 HB3 CYS 8 HB1 CYS 8 -4.752 -0.540 -7.520
50 H VAL 9 HN VAL 9 -4.484 0.145 -4.228
51 HA VAL 9 HA VAL 9 -1.675 -0.684 -4.306
52 HB VAL 9 HB VAL 9 -3.633 -0.584 -1.963
53 HG11 VAL 9 HG11 VAL 9 -0.675 -1.169 -1.977
54 HG12 VAL 9 HG12 VAL 9 -1.959 -2.339 -1.686
55 HG13 VAL 9 3HG1 VAL 9 -1.690 -1.024 -0.543
56 HG21 VAL 9 HG21 VAL 9 -2.277 1.287 -1.139
57 HG22 VAL 9 HG22 VAL 9 -3.004 1.652 -2.703
58 HG23 VAL 9 HG23 VAL 9 -1.298 1.219 -2.603
59 HA PRO 10 HA PRO 10 -3.494 -4.566 -5.529
60 HB2 PRO 10 HB2 PRO 10 -1.285 -6.145 -5.281
61 HB3 PRO 10 HB1 PRO 10 -1.559 -5.053 -6.640
62 HG2 PRO 10 HG2 PRO 10 0.125 -4.658 -4.203
63 HG3 PRO 10 HG1 PRO 10 0.476 -4.228 -5.885
64 HD2 PRO 10 HD2 PRO 10 -0.346 -2.414 -4.059
65 HD3 PRO 10 HD1 PRO 10 -0.770 -2.292 -5.778
66 H SER 11 HN SER 11 -4.074 -6.641 -4.719
67 HA SER 11 HA SER 11 -4.211 -6.757 -1.842
68 HB2 SER 11 HB2 SER 11 -5.392 -8.526 -3.987
69 HB3 SER 11 HB1 SER 11 -5.752 -8.639 -2.263
70 HG SER 11 HG SER 11 -7.098 -7.294 -3.879
71 H GLY 12 HN GLY 12 -2.532 -7.626 -0.808
72 HA2 GLY 12 HA2 GLY 12 -1.534 -9.759 -0.226
73 HA3 GLY 12 HA1 GLY 12 -1.343 -10.058 -1.952
74 H THR 13 HN THR 13 -0.793 -6.874 -0.741
75 HA THR 13 HA THR 13 2.002 -7.359 -1.252
76 HB THR 13 HB THR 13 1.109 -5.619 -2.684
77 HG1 THR 13 HG1 THR 13 3.048 -4.956 -2.395
78 HG21 THR 13 HG21 THR 13 0.293 -3.468 -1.790
79 HG22 THR 13 HG22 THR 13 0.389 -4.124 -0.155
80 HG23 THR 13 HG23 THR 13 -0.749 -4.808 -1.314
81 H CYS 14 HN CYS 14 2.847 -8.058 0.453
82 HA CYS 14 HA CYS 14 2.926 -6.238 2.721
83 HB2 CYS 14 HB2 CYS 14 3.039 -9.267 2.862
84 HB3 CYS 14 HB1 CYS 14 3.251 -8.170 4.223
85 H ALA 15 HN ALA 15 4.667 -5.205 2.240
86 HA ALA 15 HA ALA 15 7.211 -6.530 2.250
87 HB1 ALA 15 HB1 ALA 15 7.900 -5.617 0.069
88 HB2 ALA 15 HB2 ALA 15 6.255 -5.046 -0.202
89 HB3 ALA 15 HB3 ALA 15 6.581 -6.776 -0.106
90 H ASP 16 HN ASP 16 8.947 -4.765 2.090
91 HA ASP 16 HA ASP 16 7.873 -2.463 3.468
92 HB2 ASP 16 HB2 ASP 16 10.094 -2.030 4.271
93 HB3 ASP 16 HB1 ASP 16 9.713 -3.719 4.573
94 H PHE 17 HN PHE 17 7.737 -0.615 2.640
95 HA PHE 17 HA PHE 17 8.967 -0.144 0.042
96 HB2 PHE 17 HB2 PHE 17 6.375 0.871 1.240
97 HB3 PHE 17 HB1 PHE 17 7.065 1.497 -0.249
98 HD1 PHE 17 HD1 PHE 17 5.557 -1.478 1.338
99 HD2 PHE 17 HD2 PHE 17 6.796 0.337 -2.300
100 HE1 PHE 17 HE1 PHE 17 4.356 -3.212 0.063
101 HE2 PHE 17 HE2 PHE 17 5.606 -1.394 -3.573
102 HZ PHE 17 HZ PHE 17 4.378 -3.174 -2.375
103 HA PRO 18 HA PRO 18 11.438 3.190 1.552
104 HB2 PRO 18 HB2 PRO 18 9.917 4.891 -0.372
105 HB3 PRO 18 HB1 PRO 18 11.664 4.780 -0.111
106 HG2 PRO 18 HG2 PRO 18 10.572 3.571 -2.190
107 HG3 PRO 18 HG1 PRO 18 11.837 2.761 -1.247
108 HD2 PRO 18 HD2 PRO 18 8.899 2.275 -1.278
109 HD3 PRO 18 HD1 PRO 18 10.240 1.127 -1.069
110 H TRP 19 HN TRP 19 11.130 4.194 3.397
111 HA TRP 19 HA TRP 19 8.682 5.016 4.553
112 HB2 TRP 19 HB2 TRP 19 10.989 4.591 5.656
113 HB3 TRP 19 HB1 TRP 19 11.376 6.239 5.183
114 HD1 TRP 19 HD1 TRP 19 10.007 8.148 6.344
115 HE1 TRP 19 HE1 TRP 19 8.738 8.255 8.631
116 HE3 TRP 19 3HE TRP 19 9.655 3.204 7.229
117 HZ2 TRP 19 HZ2 TRP 19 7.733 6.418 10.517
118 HZ3 TRP 19 HZ3 TRP 19 8.528 2.414 9.283
119 HH2 TRP 19 2HH TRP 19 7.590 4.002 10.888
120 HA PRO 20 HA PRO 20 7.728 6.688 5.854
121 HB2 PRO 20 HB2 PRO 20 5.455 8.288 5.172
122 HB3 PRO 20 HB1 PRO 20 6.683 8.582 6.404
123 HG2 PRO 20 HG2 PRO 20 6.384 10.119 4.152
124 HG3 PRO 20 HG1 PRO 20 7.904 9.939 5.043
125 HD2 PRO 20 HD2 PRO 20 7.009 8.527 2.550
126 HD3 PRO 20 HD1 PRO 20 8.584 9.246 2.930
127 H LEU 21 HN LEU 21 7.201 5.306 3.021
128 HA LEU 21 HA LEU 21 4.467 4.544 3.370
129 HB2 LEU 21 HB2 LEU 21 6.670 3.239 1.762
130 HB3 LEU 21 HB1 LEU 21 4.997 2.725 1.733
131 HG LEU 21 HG LEU 21 5.992 5.432 0.824
132 HD11 LEU 21 HD11 LEU 21 6.742 3.671 -0.670
133 HD12 LEU 21 HD12 LEU 21 5.464 4.622 -1.427
134 HD13 LEU 21 HD13 LEU 21 5.100 3.030 -0.764
135 HD21 LEU 21 HD21 LEU 21 3.734 5.673 -0.100
136 HD22 LEU 21 HD22 LEU 21 3.708 5.525 1.655
137 HD23 LEU 21 HD23 LEU 21 3.267 4.145 0.648
138 H GLY 22 HN GLY 22 7.541 2.808 3.890
139 HA2 GLY 22 HA2 GLY 22 8.125 1.577 5.765
140 HA3 GLY 22 HA1 GLY 22 6.504 1.817 6.395
141 H HIS 23 HN HIS 23 6.619 -0.465 6.944
142 HA HIS 23 HA HIS 23 6.540 -2.338 4.765
143 HB2 HIS 23 HB2 HIS 23 7.486 -2.991 6.987
144 HB3 HIS 23 HB1 HIS 23 5.893 -2.768 7.700
145 HD1 HIS 23 HD1 HIS 23 4.339 -4.794 7.638
146 HD2 HIS 23 HD2 HIS 23 7.621 -5.182 5.118
147 HE1 HIS 23 HE1 HIS 23 4.256 -7.153 6.755
148 H GLN 24 HN GLN 24 4.890 -2.199 3.497
149 HA GLN 24 HA GLN 24 2.239 -1.586 4.542
150 HB2 GLN 24 HB2 GLN 24 3.224 -2.093 1.724
151 HB3 GLN 24 HB1 GLN 24 1.571 -1.697 2.130
152 HG2 GLN 24 HG2 GLN 24 3.955 0.099 2.575
153 HG3 GLN 24 HG1 GLN 24 2.855 0.199 1.209
154 HE21 GLN 24 1HE2 GLN 24 2.136 2.220 1.611
155 HE22 GLN 24 2HE2 GLN 24 1.196 2.669 2.984
156 H CYS 25 HN CYS 25 0.727 -3.185 4.835
157 HA CYS 25 HA CYS 25 1.182 -5.682 3.472
158 HB2 CYS 25 HB2 CYS 25 2.262 -5.964 5.697
159 HB3 CYS 25 HB1 CYS 25 0.723 -5.584 6.460
160 H PHE 26 HN PHE 26 -0.440 -5.333 2.229
161 HA PHE 26 HA PHE 26 -3.114 -5.127 3.444
162 HB2 PHE 26 HB2 PHE 26 -2.189 -4.190 0.712
163 HB3 PHE 26 HB1 PHE 26 -3.846 -4.137 1.289
164 HD1 PHE 26 HD1 PHE 26 -0.536 -2.603 1.476
165 HD2 PHE 26 HD2 PHE 26 -4.519 -2.514 2.936
166 HE1 PHE 26 HE1 PHE 26 -0.147 -0.351 2.390
167 HE2 PHE 26 HE2 PHE 26 -4.139 -0.266 3.861
168 HZ PHE 26 HZ PHE 26 -1.948 0.818 3.582
169 HA PRO 27 HA PRO 27 -3.150 -9.315 1.526
170 HB2 PRO 27 HB2 PRO 27 -5.587 -9.438 3.229
171 HB3 PRO 27 HB1 PRO 27 -4.264 -10.597 3.094
172 HG2 PRO 27 HG2 PRO 27 -4.467 -9.080 5.262
173 HG3 PRO 27 HG1 PRO 27 -2.882 -9.404 4.537
174 HD2 PRO 27 HD2 PRO 27 -4.588 -6.948 4.317
175 HD3 PRO 27 HD1 PRO 27 -2.835 -7.079 4.573
176 H ASP 28 HN ASP 28 -5.657 -6.954 2.105
177 HA ASP 28 HA ASP 28 -6.757 -7.488 -0.549
178 HB2 ASP 28 HB2 ASP 28 -8.234 -6.437 1.898
179 HB3 ASP 28 HB1 ASP 28 -8.893 -6.463 0.272
Start of MODEL 4
1 H1 GLY 1 HN GLY 1 -5.185 -6.020 0.372
2 HA2 GLY 1 HA2 GLY 1 -4.805 -4.584 -1.415
3 HA3 GLY 1 HA1 GLY 1 -5.658 -5.703 -2.470
4 H PHE 2 HN PHE 2 -6.431 -3.390 -3.049
5 HA PHE 2 HA PHE 2 -9.119 -3.200 -2.170
6 HB2 PHE 2 HB2 PHE 2 -9.031 -0.860 -1.332
7 HB3 PHE 2 HB1 PHE 2 -8.099 -1.932 -0.305
8 HD1 PHE 2 HD1 PHE 2 -7.983 0.894 -2.615
9 HD2 PHE 2 HD2 PHE 2 -5.654 -1.775 -0.250
10 HE1 PHE 2 HE1 PHE 2 -6.046 2.390 -2.831
11 HE2 PHE 2 HE2 PHE 2 -3.722 -0.280 -0.466
12 HZ PHE 2 HZ PHE 2 -3.913 1.798 -1.754
13 H CYS 3 HN CYS 3 -10.230 -1.519 -3.487
14 HA CYS 3 HA CYS 3 -8.623 -0.799 -5.817
15 HB2 CYS 3 HB2 CYS 3 -9.941 -2.885 -6.277
16 HB3 CYS 3 HB1 CYS 3 -11.412 -1.975 -5.966
17 H TRP 4 HN TRP 4 -8.844 1.245 -6.412
18 HA TRP 4 HA TRP 4 -11.250 2.717 -5.882
19 HB2 TRP 4 HB2 TRP 4 -10.327 4.319 -4.382
20 HB3 TRP 4 HB1 TRP 4 -9.812 2.747 -3.775
21 HD1 TRP 4 HD1 TRP 4 -7.156 2.390 -5.589
22 HE1 TRP 4 HE1 TRP 4 -5.122 3.876 -5.158
23 HE3 TRP 4 3HE TRP 4 -9.464 6.169 -3.046
24 HZ2 TRP 4 HZ2 TRP 4 -4.564 6.353 -3.888
25 HZ3 TRP 4 HZ3 TRP 4 -8.100 8.049 -2.241
26 HH2 TRP 4 2HH TRP 4 -5.694 8.119 -2.656
27 H HIS 5 HN HIS 5 -11.146 4.773 -7.060
28 HA HIS 5 HA HIS 5 -10.633 6.061 -8.908
29 HB2 HIS 5 HB2 HIS 5 -7.875 5.177 -8.082
30 HB3 HIS 5 HB1 HIS 5 -8.103 6.169 -9.503
31 HD1 HIS 5 HD1 HIS 5 -7.182 8.361 -8.791
32 HD2 HIS 5 HD2 HIS 5 -9.678 6.711 -5.917
33 HE1 HIS 5 HE1 HIS 5 -7.317 10.056 -6.940
34 H HIS 6 HN HIS 6 -11.186 3.128 -9.163
35 HA HIS 6 HA HIS 6 -11.417 1.558 -10.736
36 HB2 HIS 6 HB2 HIS 6 -11.923 3.452 -12.285
37 HB3 HIS 6 HB1 HIS 6 -10.212 3.615 -12.632
38 HD1 HIS 6 HD1 HIS 6 -9.319 2.235 -14.545
39 HD2 HIS 6 HD2 HIS 6 -13.097 1.037 -13.310
40 HE1 HIS 6 HE1 HIS 6 -10.134 0.606 -16.295
41 H SER 7 HN SER 7 -8.783 2.155 -9.216
42 HA SER 7 HA SER 7 -7.131 0.366 -10.820
43 HB2 SER 7 HB2 SER 7 -6.167 2.651 -10.543
44 HB3 SER 7 HB1 SER 7 -6.208 2.425 -8.796
45 HG SER 7 HG SER 7 -4.387 1.624 -10.580
46 H CYS 8 HN CYS 8 -7.130 -1.549 -9.987
47 HA CYS 8 HA CYS 8 -7.839 -1.887 -7.205
48 HB2 CYS 8 HB2 CYS 8 -7.650 -3.923 -9.428
49 HB3 CYS 8 HB1 CYS 8 -8.237 -4.225 -7.799
50 H VAL 9 HN VAL 9 -6.223 -1.891 -5.857
51 HA VAL 9 HA VAL 9 -3.550 -2.629 -6.536
52 HB VAL 9 HB VAL 9 -4.861 -2.062 -3.847
53 HG11 VAL 9 HG11 VAL 9 -2.844 -3.390 -3.542
54 HG12 VAL 9 HG12 VAL 9 -2.579 -1.737 -2.983
55 HG13 VAL 9 3HG1 VAL 9 -1.928 -2.261 -4.537
56 HG21 VAL 9 HG21 VAL 9 -3.780 0.136 -4.017
57 HG22 VAL 9 HG22 VAL 9 -4.919 -0.139 -5.336
58 HG23 VAL 9 HG23 VAL 9 -3.186 -0.288 -5.622
59 HA PRO 10 HA PRO 10 -4.584 -6.914 -6.088
60 HB2 PRO 10 HB2 PRO 10 -2.086 -7.923 -6.455
61 HB3 PRO 10 HB1 PRO 10 -3.110 -7.350 -7.774
62 HG2 PRO 10 HG2 PRO 10 -0.838 -5.997 -6.407
63 HG3 PRO 10 HG1 PRO 10 -1.289 -5.983 -8.122
64 HD2 PRO 10 HD2 PRO 10 -1.812 -3.943 -6.390
65 HD3 PRO 10 HD1 PRO 10 -2.796 -4.283 -7.825
66 H SER 11 HN SER 11 -4.196 -8.691 -4.790
67 HA SER 11 HA SER 11 -3.705 -8.095 -2.103
68 HB2 SER 11 HB2 SER 11 -4.043 -10.669 -2.033
69 HB3 SER 11 HB1 SER 11 -5.393 -9.624 -2.488
70 HG SER 11 HG SER 11 -5.405 -10.476 -4.351
71 H GLY 12 HN GLY 12 -1.739 -7.914 -1.218
72 HA2 GLY 12 HA2 GLY 12 0.161 -9.152 -0.410
73 HA3 GLY 12 HA1 GLY 12 0.317 -9.857 -2.015
74 H THR 13 HN THR 13 -0.513 -6.544 -1.866
75 HA THR 13 HA THR 13 2.012 -5.883 -3.054
76 HB THR 13 HB THR 13 -0.368 -4.108 -2.428
77 HG1 THR 13 HG1 THR 13 -1.129 -5.382 -3.979
78 HG21 THR 13 HG21 THR 13 1.753 -2.858 -2.758
79 HG22 THR 13 HG22 THR 13 0.616 -2.582 -4.076
80 HG23 THR 13 HG23 THR 13 1.977 -3.678 -4.305
81 H CYS 14 HN CYS 14 3.483 -6.090 -1.488
82 HA CYS 14 HA CYS 14 3.236 -4.523 0.955
83 HB2 CYS 14 HB2 CYS 14 5.391 -6.462 0.118
84 HB3 CYS 14 HB1 CYS 14 5.202 -5.741 1.705
85 H ALA 15 HN ALA 15 4.375 -2.669 1.300
86 HA ALA 15 HA ALA 15 6.586 -2.071 -0.485
87 HB1 ALA 15 HB1 ALA 15 5.744 0.210 -0.815
88 HB2 ALA 15 HB2 ALA 15 4.288 -0.198 0.091
89 HB3 ALA 15 HB3 ALA 15 4.614 -0.986 -1.452
90 H ASP 16 HN ASP 16 8.248 -1.023 0.568
91 HA ASP 16 HA ASP 16 7.754 -0.387 3.373
92 HB2 ASP 16 HB2 ASP 16 10.151 -0.627 3.728
93 HB3 ASP 16 HB1 ASP 16 9.546 -2.074 2.932
94 H PHE 17 HN PHE 17 8.167 1.616 4.116
95 HA PHE 17 HA PHE 17 9.110 3.587 2.178
96 HB2 PHE 17 HB2 PHE 17 7.007 3.962 4.323
97 HB3 PHE 17 HB1 PHE 17 7.537 5.175 3.163
98 HD1 PHE 17 HD1 PHE 17 6.945 4.854 0.743
99 HD2 PHE 17 HD2 PHE 17 5.331 2.426 3.836
100 HE1 PHE 17 HE1 PHE 17 5.125 4.158 -0.755
101 HE2 PHE 17 HE2 PHE 17 3.510 1.725 2.340
102 HZ PHE 17 HZ PHE 17 3.398 2.581 0.058
103 HA PRO 18 HA PRO 18 12.050 4.416 5.427
104 HB2 PRO 18 HB2 PRO 18 12.005 7.266 4.670
105 HB3 PRO 18 HB1 PRO 18 13.340 6.112 4.599
106 HG2 PRO 18 HG2 PRO 18 12.158 6.971 2.365
107 HG3 PRO 18 HG1 PRO 18 12.700 5.293 2.535
108 HD2 PRO 18 HD2 PRO 18 9.938 6.417 2.829
109 HD3 PRO 18 HD1 PRO 18 10.484 4.964 1.959
110 H TRP 19 HN TRP 19 12.509 6.195 7.159
111 HA TRP 19 HA TRP 19 10.477 6.147 9.025
112 HB2 TRP 19 HB2 TRP 19 12.773 6.348 9.718
113 HB3 TRP 19 HB1 TRP 19 12.962 7.860 8.848
114 HD1 TRP 19 HD1 TRP 19 11.050 6.497 11.950
115 HE1 TRP 19 HE1 TRP 19 10.834 8.417 13.651
116 HE3 TRP 19 3HE TRP 19 13.091 10.274 9.177
117 HZ2 TRP 19 HZ2 TRP 19 11.437 11.174 13.792
118 HZ3 TRP 19 HZ3 TRP 19 13.227 12.520 10.165
119 HH2 TRP 19 2HH TRP 19 12.416 12.955 12.426
120 HA PRO 20 HA PRO 20 9.366 6.765 10.447
121 HB2 PRO 20 HB2 PRO 20 7.079 8.012 11.424
122 HB3 PRO 20 HB1 PRO 20 8.734 8.348 11.936
123 HG2 PRO 20 HG2 PRO 20 7.019 10.118 10.628
124 HG3 PRO 20 HG1 PRO 20 8.762 10.332 10.828
125 HD2 PRO 20 HD2 PRO 20 7.252 9.234 8.469
126 HD3 PRO 20 HD1 PRO 20 8.679 10.300 8.491
127 H LEU 21 HN LEU 21 8.038 6.643 7.650
128 HA LEU 21 HA LEU 21 5.350 5.832 8.138
129 HB2 LEU 21 HB2 LEU 21 7.104 5.462 5.717
130 HB3 LEU 21 HB1 LEU 21 5.386 5.107 5.758
131 HG LEU 21 HG LEU 21 6.656 7.837 6.069
132 HD11 LEU 21 HD11 LEU 21 6.786 7.044 3.795
133 HD12 LEU 21 HD12 LEU 21 5.568 8.315 3.920
134 HD13 LEU 21 HD13 LEU 21 5.073 6.626 3.814
135 HD21 LEU 21 HD21 LEU 21 3.751 7.032 5.998
136 HD22 LEU 21 HD22 LEU 21 4.355 8.686 5.958
137 HD23 LEU 21 HD23 LEU 21 4.624 7.688 7.385
138 H GLY 22 HN GLY 22 8.116 3.903 6.894
139 HA2 GLY 22 HA2 GLY 22 8.801 1.860 7.852
140 HA3 GLY 22 HA1 GLY 22 7.255 1.759 8.687
141 H HIS 23 HN HIS 23 7.107 -0.395 7.906
142 HA HIS 23 HA HIS 23 6.771 -0.708 5.038
143 HB2 HIS 23 HB2 HIS 23 8.136 -2.382 6.210
144 HB3 HIS 23 HB1 HIS 23 6.788 -2.758 7.271
145 HD1 HIS 23 HD1 HIS 23 5.176 -4.557 6.459
146 HD2 HIS 23 HD2 HIS 23 7.730 -3.177 3.488
147 HE1 HIS 23 HE1 HIS 23 4.845 -6.094 4.488
148 H GLN 24 HN GLN 24 4.873 -1.113 4.069
149 HA GLN 24 HA GLN 24 2.538 -1.689 5.698
150 HB2 GLN 24 HB2 GLN 24 2.520 0.778 5.207
151 HB3 GLN 24 HB1 GLN 24 2.628 0.384 3.505
152 HG2 GLN 24 HG2 GLN 24 0.337 0.940 4.158
153 HG3 GLN 24 HG1 GLN 24 0.485 -0.700 3.536
154 HE21 GLN 24 1HE2 GLN 24 -1.348 -1.438 4.568
155 HE22 GLN 24 2HE2 GLN 24 -1.431 -1.656 6.274
156 H CYS 25 HN CYS 25 1.431 -3.321 4.798
157 HA CYS 25 HA CYS 25 1.813 -3.801 1.955
158 HB2 CYS 25 HB2 CYS 25 3.241 -5.391 3.198
159 HB3 CYS 25 HB1 CYS 25 1.830 -5.927 4.107
160 H PHE 26 HN PHE 26 0.079 -4.550 0.908
161 HA PHE 26 HA PHE 26 -2.409 -4.653 2.457
162 HB2 PHE 26 HB2 PHE 26 -2.067 -4.028 -0.495
163 HB3 PHE 26 HB1 PHE 26 -3.564 -3.946 0.424
164 HD1 PHE 26 HD1 PHE 26 -0.727 -2.138 -0.728
165 HD2 PHE 26 HD2 PHE 26 -3.641 -2.261 2.377
166 HE1 PHE 26 HE1 PHE 26 -0.262 0.217 -0.202
167 HE2 PHE 26 HE2 PHE 26 -3.184 0.094 2.902
168 HZ PHE 26 HZ PHE 26 -1.491 1.338 1.614
169 HA PRO 27 HA PRO 27 -1.571 -8.953 1.077
170 HB2 PRO 27 HB2 PRO 27 -3.338 -9.643 3.311
171 HB3 PRO 27 HB1 PRO 27 -1.664 -10.124 3.016
172 HG2 PRO 27 HG2 PRO 27 -2.302 -8.405 4.978
173 HG3 PRO 27 HG1 PRO 27 -0.803 -8.246 4.045
174 HD2 PRO 27 HD2 PRO 27 -3.379 -6.760 3.749
175 HD3 PRO 27 HD1 PRO 27 -1.711 -6.141 3.737
176 H ASP 28 HN ASP 28 -4.576 -7.359 1.726
177 HA ASP 28 HA ASP 28 -6.006 -9.377 0.128
178 HB2 ASP 28 HB2 ASP 28 -6.964 -8.904 2.360
179 HB3 ASP 28 HB1 ASP 28 -7.150 -7.213 1.910
Start of MODEL 5
1 H1 GLY 1 HN GLY 1 -7.193 -5.935 0.105
2 HA2 GLY 1 HA2 GLY 1 -5.923 -3.331 -0.071
3 HA3 GLY 1 HA1 GLY 1 -6.030 -4.537 -1.348
4 H PHE 2 HN PHE 2 -6.563 -2.457 -2.520
5 HA PHE 2 HA PHE 2 -9.336 -2.243 -2.991
6 HB2 PHE 2 HB2 PHE 2 -9.635 0.134 -2.271
7 HB3 PHE 2 HB1 PHE 2 -9.400 -0.955 -0.912
8 HD1 PHE 2 HD1 PHE 2 -7.991 1.833 -2.827
9 HD2 PHE 2 HD2 PHE 2 -7.345 -0.849 0.421
10 HE1 PHE 2 HE1 PHE 2 -6.169 3.264 -2.000
11 HE2 PHE 2 HE2 PHE 2 -5.525 0.579 1.240
12 HZ PHE 2 HZ PHE 2 -4.936 2.639 0.027
13 H CYS 3 HN CYS 3 -9.736 -0.492 -4.618
14 HA CYS 3 HA CYS 3 -7.271 0.162 -6.036
15 HB2 CYS 3 HB2 CYS 3 -9.989 -0.515 -7.186
16 HB3 CYS 3 HB1 CYS 3 -8.657 0.125 -8.131
17 H TRP 4 HN TRP 4 -6.862 2.209 -6.027
18 HA TRP 4 HA TRP 4 -9.032 4.138 -6.143
19 HB2 TRP 4 HB2 TRP 4 -8.607 4.006 -3.810
20 HB3 TRP 4 HB1 TRP 4 -6.871 4.038 -4.043
21 HD1 TRP 4 HD1 TRP 4 -9.727 6.528 -5.047
22 HE1 TRP 4 HE1 TRP 4 -8.900 8.908 -4.461
23 HE3 TRP 4 3HE TRP 4 -5.200 5.352 -3.042
24 HZ2 TRP 4 HZ2 TRP 4 -6.657 10.097 -3.316
25 HZ3 TRP 4 HZ3 TRP 4 -3.773 7.174 -2.199
26 HH2 TRP 4 2HH TRP 4 -4.492 9.497 -2.331
27 H HIS 5 HN HIS 5 -8.597 5.794 -7.368
28 HA HIS 5 HA HIS 5 -7.811 6.631 -9.238
29 HB2 HIS 5 HB2 HIS 5 -6.268 8.474 -8.891
30 HB3 HIS 5 HB1 HIS 5 -7.289 8.298 -7.498
31 HD1 HIS 5 HD1 HIS 5 -4.815 9.969 -7.145
32 HD2 HIS 5 HD2 HIS 5 -4.861 5.885 -6.461
33 HE1 HIS 5 HE1 HIS 5 -2.825 9.503 -5.708
34 H HIS 6 HN HIS 6 -7.394 4.294 -9.710
35 HA HIS 6 HA HIS 6 -6.521 2.924 -11.204
36 HB2 HIS 6 HB2 HIS 6 -4.491 5.099 -11.786
37 HB3 HIS 6 HB1 HIS 6 -4.616 3.599 -12.697
38 HD1 HIS 6 HD1 HIS 6 -5.398 6.908 -13.289
39 HD2 HIS 6 HD2 HIS 6 -7.703 3.445 -13.407
40 HE1 HIS 6 HE1 HIS 6 -7.377 7.438 -14.740
41 H SER 7 HN SER 7 -5.406 3.312 -8.331
42 HA SER 7 HA SER 7 -3.085 1.583 -8.740
43 HB2 SER 7 HB2 SER 7 -2.564 3.774 -7.687
44 HB3 SER 7 HB1 SER 7 -3.711 3.413 -6.402
45 HG SER 7 HG SER 7 -1.153 2.499 -6.826
46 H CYS 8 HN CYS 8 -3.470 -0.456 -8.207
47 HA CYS 8 HA CYS 8 -5.632 -1.024 -6.338
48 HB2 CYS 8 HB2 CYS 8 -4.510 -2.668 -8.592
49 HB3 CYS 8 HB1 CYS 8 -5.570 -3.349 -7.362
50 H VAL 9 HN VAL 9 -5.084 -1.485 -4.463
51 HA VAL 9 HA VAL 9 -2.456 -2.464 -3.748
52 HB VAL 9 HB VAL 9 -4.865 -1.766 -2.036
53 HG11 VAL 9 HG11 VAL 9 -3.279 -1.645 -0.174
54 HG12 VAL 9 HG12 VAL 9 -1.995 -2.210 -1.245
55 HG13 VAL 9 3HG1 VAL 9 -3.359 -3.262 -0.873
56 HG21 VAL 9 HG21 VAL 9 -3.685 0.329 -1.547
57 HG22 VAL 9 HG22 VAL 9 -4.075 0.172 -3.260
58 HG23 VAL 9 HG23 VAL 9 -2.429 -0.123 -2.700
59 HA PRO 10 HA PRO 10 -4.191 -6.667 -3.667
60 HB2 PRO 10 HB2 PRO 10 -1.653 -7.450 -2.445
61 HB3 PRO 10 HB1 PRO 10 -2.323 -7.920 -4.006
62 HG2 PRO 10 HG2 PRO 10 -0.177 -6.293 -3.766
63 HG3 PRO 10 HG1 PRO 10 -1.330 -6.178 -5.105
64 HD2 PRO 10 HD2 PRO 10 -1.088 -4.481 -2.659
65 HD3 PRO 10 HD1 PRO 10 -1.457 -4.027 -4.340
66 H SER 11 HN SER 11 -5.015 -8.019 -2.071
67 HA SER 11 HA SER 11 -5.047 -6.983 0.613
68 HB2 SER 11 HB2 SER 11 -6.393 -9.404 -0.597
69 HB3 SER 11 HB1 SER 11 -6.732 -8.720 0.995
70 HG SER 11 HG SER 11 -7.978 -8.116 -1.090
71 H GLY 12 HN GLY 12 -3.225 -7.405 1.758
72 HA2 GLY 12 HA2 GLY 12 -2.384 -9.243 3.163
73 HA3 GLY 12 HA1 GLY 12 -2.186 -10.142 1.661
74 H THR 13 HN THR 13 -1.566 -6.974 0.975
75 HA THR 13 HA THR 13 1.209 -7.576 0.823
76 HB THR 13 HB THR 13 0.125 -6.383 -1.069
77 HG1 THR 13 HG1 THR 13 2.424 -6.084 -0.534
78 HG21 THR 13 HG21 THR 13 -1.451 -4.948 0.102
79 HG22 THR 13 HG22 THR 13 -0.354 -3.932 -0.849
80 HG23 THR 13 HG23 THR 13 -0.125 -4.098 0.886
81 H CYS 14 HN CYS 14 2.256 -7.574 2.571
82 HA CYS 14 HA CYS 14 2.344 -5.102 4.139
83 HB2 CYS 14 HB2 CYS 14 2.797 -7.902 5.211
84 HB3 CYS 14 HB1 CYS 14 2.737 -6.411 6.148
85 H ALA 15 HN ALA 15 4.060 -4.143 3.382
86 HA ALA 15 HA ALA 15 6.613 -5.476 3.449
87 HB1 ALA 15 HB1 ALA 15 5.782 -6.107 1.235
88 HB2 ALA 15 HB2 ALA 15 7.127 -4.972 1.095
89 HB3 ALA 15 HB3 ALA 15 5.473 -4.412 0.861
90 H ASP 16 HN ASP 16 8.285 -3.833 2.570
91 HA ASP 16 HA ASP 16 7.677 -1.263 3.772
92 HB2 ASP 16 HB2 ASP 16 10.147 -0.910 3.709
93 HB3 ASP 16 HB1 ASP 16 9.683 -2.322 4.646
94 H PHE 17 HN PHE 17 7.122 0.308 2.593
95 HA PHE 17 HA PHE 17 7.682 0.263 -0.264
96 HB2 PHE 17 HB2 PHE 17 5.715 1.893 1.384
97 HB3 PHE 17 HB1 PHE 17 5.866 1.972 -0.366
98 HD1 PHE 17 HD1 PHE 17 4.660 -0.010 2.474
99 HD2 PHE 17 HD2 PHE 17 4.980 0.192 -1.762
100 HE1 PHE 17 HE1 PHE 17 3.002 -1.827 2.260
101 HE2 PHE 17 HE2 PHE 17 3.330 -1.618 -1.978
102 HZ PHE 17 HZ PHE 17 2.341 -2.630 0.032
103 HA PRO 18 HA PRO 18 10.833 3.354 -0.060
104 HB2 PRO 18 HB2 PRO 18 9.700 5.227 -1.860
105 HB3 PRO 18 HB1 PRO 18 10.850 3.946 -2.252
106 HG2 PRO 18 HG2 PRO 18 7.884 3.972 -2.507
107 HG3 PRO 18 HG1 PRO 18 9.093 3.174 -3.529
108 HD2 PRO 18 HD2 PRO 18 7.598 1.781 -1.830
109 HD3 PRO 18 HD1 PRO 18 9.314 1.380 -2.058
110 H TRP 19 HN TRP 19 11.179 4.815 1.427
111 HA TRP 19 HA TRP 19 9.114 5.897 2.961
112 HB2 TRP 19 HB2 TRP 19 12.043 6.031 3.009
113 HB3 TRP 19 HB1 TRP 19 11.227 7.381 3.785
114 HD1 TRP 19 HD1 TRP 19 10.063 6.953 6.048
115 HE1 TRP 19 HE1 TRP 19 9.931 4.899 7.633
116 HE3 TRP 19 3HE TRP 19 11.922 3.449 2.927
117 HZ2 TRP 19 HZ2 TRP 19 10.534 2.143 7.528
118 HZ3 TRP 19 HZ3 TRP 19 12.115 1.095 3.707
119 HH2 TRP 19 2HH TRP 19 11.430 0.474 5.964
120 HA PRO 20 HA PRO 20 8.999 7.627 4.475
121 HB2 PRO 20 HB2 PRO 20 6.875 9.573 4.549
122 HB3 PRO 20 HB1 PRO 20 8.450 9.634 5.339
123 HG2 PRO 20 HG2 PRO 20 7.771 11.293 3.353
124 HG3 PRO 20 HG1 PRO 20 9.435 10.740 3.576
125 HD2 PRO 20 HD2 PRO 20 7.343 9.647 1.697
126 HD3 PRO 20 HD1 PRO 20 9.026 10.102 1.330
127 H LEU 21 HN LEU 21 7.427 6.343 2.103
128 HA LEU 21 HA LEU 21 4.821 6.013 3.181
129 HB2 LEU 21 HB2 LEU 21 6.410 4.433 1.163
130 HB3 LEU 21 HB1 LEU 21 4.853 3.875 1.727
131 HG LEU 21 HG LEU 21 3.752 5.821 0.744
132 HD11 LEU 21 HD11 LEU 21 5.523 7.487 1.024
133 HD12 LEU 21 HD12 LEU 21 4.948 7.422 -0.641
134 HD13 LEU 21 HD13 LEU 21 6.486 6.670 -0.206
135 HD21 LEU 21 HD21 LEU 21 4.104 3.842 -0.623
136 HD22 LEU 21 HD22 LEU 21 5.648 4.492 -1.172
137 HD23 LEU 21 HD23 LEU 21 4.145 5.314 -1.590
138 H GLY 22 HN GLY 22 7.673 3.864 3.161
139 HA2 GLY 22 HA2 GLY 22 8.561 2.729 4.934
140 HA3 GLY 22 HA1 GLY 22 7.255 3.329 5.940
141 H HIS 23 HN HIS 23 7.311 1.196 6.796
142 HA HIS 23 HA HIS 23 6.445 -1.032 5.172
143 HB2 HIS 23 HB2 HIS 23 8.008 -1.371 7.068
144 HB3 HIS 23 HB1 HIS 23 6.780 -0.768 8.170
145 HD1 HIS 23 HD1 HIS 23 5.110 -2.467 9.057
146 HD2 HIS 23 HD2 HIS 23 7.389 -3.900 5.893
147 HE1 HIS 23 HE1 HIS 23 4.596 -4.936 8.891
148 H GLN 24 HN GLN 24 4.460 -1.473 4.709
149 HA GLN 24 HA GLN 24 2.345 -0.561 6.493
150 HB2 GLN 24 HB2 GLN 24 2.372 -0.181 3.485
151 HB3 GLN 24 HB1 GLN 24 0.971 0.092 4.512
152 HG2 GLN 24 HG2 GLN 24 2.188 1.845 5.704
153 HG3 GLN 24 HG1 GLN 24 3.589 1.569 4.678
154 HE21 GLN 24 1HE2 GLN 24 3.532 3.665 4.002
155 HE22 GLN 24 2HE2 GLN 24 2.375 4.260 2.858
156 H CYS 25 HN CYS 25 0.496 -1.867 6.444
157 HA CYS 25 HA CYS 25 0.821 -4.432 5.080
158 HB2 CYS 25 HB2 CYS 25 1.771 -4.599 7.361
159 HB3 CYS 25 HB1 CYS 25 0.249 -4.036 8.025
160 H PHE 26 HN PHE 26 -0.885 -4.410 3.793
161 HA PHE 26 HA PHE 26 -3.464 -3.529 4.906
162 HB2 PHE 26 HB2 PHE 26 -2.660 -3.776 1.997
163 HB3 PHE 26 HB1 PHE 26 -4.219 -3.254 2.591
164 HD1 PHE 26 HD1 PHE 26 -0.901 -2.248 1.706
165 HD2 PHE 26 HD2 PHE 26 -4.351 -1.111 3.916
166 HE1 PHE 26 HE1 PHE 26 -0.142 0.082 1.688
167 HE2 PHE 26 HE2 PHE 26 -3.599 1.222 3.898
168 HZ PHE 26 HZ PHE 26 -1.485 1.821 2.774
169 HA PRO 27 HA PRO 27 -4.223 -8.039 4.620
170 HB2 PRO 27 HB2 PRO 27 -6.563 -7.279 6.255
171 HB3 PRO 27 HB1 PRO 27 -5.310 -8.474 6.599
172 HG2 PRO 27 HG2 PRO 27 -5.431 -6.165 7.950
173 HG3 PRO 27 HG1 PRO 27 -3.878 -6.905 7.520
174 HD2 PRO 27 HD2 PRO 27 -5.304 -4.614 6.218
175 HD3 PRO 27 HD1 PRO 27 -3.579 -4.807 6.591
176 H ASP 28 HN ASP 28 -6.171 -5.270 3.993
177 HA ASP 28 HA ASP 28 -7.671 -6.738 1.969
178 HB2 ASP 28 HB2 ASP 28 -9.254 -6.388 3.787
179 HB3 ASP 28 HB1 ASP 28 -8.788 -4.698 3.917
Start of MODEL 6
1 H1 GLY 1 HN GLY 1 -6.526 -5.161 1.790
2 HA2 GLY 1 HA2 GLY 1 -5.433 -2.437 1.824
3 HA3 GLY 1 HA1 GLY 1 -5.590 -3.452 0.394
4 H PHE 2 HN PHE 2 -6.722 -1.978 -0.756
5 HA PHE 2 HA PHE 2 -9.509 -1.929 -0.404
6 HB2 PHE 2 HB2 PHE 2 -9.683 0.602 -0.261
7 HB3 PHE 2 HB1 PHE 2 -9.177 -0.195 1.219
8 HD1 PHE 2 HD1 PHE 2 -7.951 1.813 -1.670
9 HD2 PHE 2 HD2 PHE 2 -7.120 0.336 2.246
10 HE1 PHE 2 HE1 PHE 2 -6.000 3.303 -1.514
11 HE2 PHE 2 HE2 PHE 2 -5.167 1.822 2.388
12 HZ PHE 2 HZ PHE 2 -4.609 3.301 0.507
13 H CYS 3 HN CYS 3 -10.499 -1.239 -2.284
14 HA CYS 3 HA CYS 3 -8.851 -0.077 -4.356
15 HB2 CYS 3 HB2 CYS 3 -10.602 -2.520 -4.754
16 HB3 CYS 3 HB1 CYS 3 -9.834 -1.611 -6.048
17 H TRP 4 HN TRP 4 -9.740 1.788 -4.158
18 HA TRP 4 HA TRP 4 -12.155 2.372 -5.401
19 HB2 TRP 4 HB2 TRP 4 -13.562 3.061 -3.548
20 HB3 TRP 4 HB1 TRP 4 -13.022 1.408 -3.294
21 HD1 TRP 4 HD1 TRP 4 -10.136 2.329 -1.924
22 HE1 TRP 4 HE1 TRP 4 -10.240 3.146 0.534
23 HE3 TRP 4 3HE TRP 4 -15.097 3.475 -1.647
24 HZ2 TRP 4 HZ2 TRP 4 -12.148 4.139 2.301
25 HZ3 TRP 4 HZ3 TRP 4 -15.980 4.342 0.470
26 HH2 TRP 4 2HH TRP 4 -14.536 4.662 2.397
27 H HIS 5 HN HIS 5 -12.582 4.789 -5.107
28 HA HIS 5 HA HIS 5 -11.809 6.927 -5.244
29 HB2 HIS 5 HB2 HIS 5 -9.968 5.924 -3.045
30 HB3 HIS 5 HB1 HIS 5 -9.950 7.592 -3.576
31 HD1 HIS 5 HD1 HIS 5 -10.749 8.530 -1.296
32 HD2 HIS 5 HD2 HIS 5 -13.327 5.681 -2.877
33 HE1 HIS 5 HE1 HIS 5 -12.834 8.640 0.094
34 H HIS 6 HN HIS 6 -10.797 4.821 -6.905
35 HA HIS 6 HA HIS 6 -9.333 4.327 -8.514
36 HB2 HIS 6 HB2 HIS 6 -8.453 7.195 -8.091
37 HB3 HIS 6 HB1 HIS 6 -7.801 6.171 -9.364
38 HD1 HIS 6 HD1 HIS 6 -10.571 8.466 -8.656
39 HD2 HIS 6 HD2 HIS 6 -9.835 5.302 -11.250
40 HE1 HIS 6 HE1 HIS 6 -12.279 8.663 -10.487
41 H SER 7 HN SER 7 -8.638 3.940 -5.629
42 HA SER 7 HA SER 7 -5.755 3.569 -6.009
43 HB2 SER 7 HB2 SER 7 -7.260 4.061 -3.432
44 HB3 SER 7 HB1 SER 7 -5.512 3.905 -3.608
45 HG SER 7 HG SER 7 -5.944 5.760 -5.221
46 H CYS 8 HN CYS 8 -5.532 1.389 -6.445
47 HA CYS 8 HA CYS 8 -7.092 -0.443 -4.783
48 HB2 CYS 8 HB2 CYS 8 -7.927 -0.518 -7.076
49 HB3 CYS 8 HB1 CYS 8 -6.307 -0.858 -7.671
50 H VAL 9 HN VAL 9 -5.815 -0.976 -3.294
51 HA VAL 9 HA VAL 9 -3.326 -2.245 -4.070
52 HB VAL 9 HB VAL 9 -2.558 -1.884 -1.688
53 HG11 VAL 9 HG11 VAL 9 -3.167 0.606 -3.274
54 HG12 VAL 9 HG12 VAL 9 -1.768 -0.448 -3.478
55 HG13 VAL 9 3HG1 VAL 9 -1.963 0.480 -1.991
56 HG21 VAL 9 HG21 VAL 9 -4.729 -1.494 -0.619
57 HG22 VAL 9 HG22 VAL 9 -4.929 -0.010 -1.549
58 HG23 VAL 9 HG23 VAL 9 -3.646 -0.128 -0.345
59 HA PRO 10 HA PRO 10 -5.783 -5.810 -2.944
60 HB2 PRO 10 HB2 PRO 10 -3.289 -7.225 -3.688
61 HB3 PRO 10 HB1 PRO 10 -4.926 -7.443 -4.314
62 HG2 PRO 10 HG2 PRO 10 -3.050 -6.262 -5.790
63 HG3 PRO 10 HG1 PRO 10 -4.728 -5.691 -5.814
64 HD2 PRO 10 HD2 PRO 10 -2.366 -4.546 -4.368
65 HD3 PRO 10 HD1 PRO 10 -3.660 -3.728 -5.282
66 H SER 11 HN SER 11 -5.908 -6.927 -1.056
67 HA SER 11 HA SER 11 -4.145 -6.468 1.087
68 HB2 SER 11 HB2 SER 11 -6.147 -8.709 0.723
69 HB3 SER 11 HB1 SER 11 -5.487 -8.138 2.257
70 HG SER 11 HG SER 11 -7.646 -7.325 1.243
71 H GLY 12 HN GLY 12 -2.182 -7.394 1.495
72 HA2 GLY 12 HA2 GLY 12 -0.975 -9.482 1.753
73 HA3 GLY 12 HA1 GLY 12 -1.612 -9.958 0.181
74 H THR 13 HN THR 13 -1.157 -6.852 -0.253
75 HA THR 13 HA THR 13 1.234 -7.212 -1.720
76 HB THR 13 HB THR 13 -0.304 -4.670 -1.137
77 HG1 THR 13 HG1 THR 13 -1.640 -5.873 -2.286
78 HG21 THR 13 HG21 THR 13 0.835 -3.787 -3.146
79 HG22 THR 13 HG22 THR 13 1.766 -5.281 -3.268
80 HG23 THR 13 HG23 THR 13 1.996 -4.211 -1.888
81 H CYS 14 HN CYS 14 2.972 -7.509 -0.591
82 HA CYS 14 HA CYS 14 3.837 -5.434 1.297
83 HB2 CYS 14 HB2 CYS 14 4.838 -8.245 0.838
84 HB3 CYS 14 HB1 CYS 14 5.675 -7.074 1.848
85 H ALA 15 HN ALA 15 5.121 -3.956 0.471
86 HA ALA 15 HA ALA 15 6.990 -4.712 -1.620
87 HB1 ALA 15 HB1 ALA 15 5.010 -2.450 -1.916
88 HB2 ALA 15 HB2 ALA 15 5.006 -3.954 -2.838
89 HB3 ALA 15 HB3 ALA 15 6.334 -2.806 -3.024
90 H ASP 16 HN ASP 16 8.672 -3.113 -1.871
91 HA ASP 16 HA ASP 16 8.965 -1.592 0.583
92 HB2 ASP 16 HB2 ASP 16 11.389 -1.652 0.195
93 HB3 ASP 16 HB1 ASP 16 10.714 -3.270 0.279
94 H PHE 17 HN PHE 17 9.058 0.428 0.610
95 HA PHE 17 HA PHE 17 9.004 1.903 -1.938
96 HB2 PHE 17 HB2 PHE 17 7.520 2.474 0.632
97 HB3 PHE 17 HB1 PHE 17 7.406 3.454 -0.814
98 HD1 PHE 17 HD1 PHE 17 6.307 0.471 0.915
99 HD2 PHE 17 HD2 PHE 17 6.183 2.524 -2.801
100 HE1 PHE 17 HE1 PHE 17 4.401 -0.922 0.203
101 HE2 PHE 17 HE2 PHE 17 4.288 1.137 -3.504
102 HZ PHE 17 HZ PHE 17 3.396 -0.595 -1.975
103 HA PRO 18 HA PRO 18 12.571 3.749 0.246
104 HB2 PRO 18 HB2 PRO 18 13.531 5.146 -1.877
105 HB3 PRO 18 HB1 PRO 18 13.781 3.407 -1.696
106 HG2 PRO 18 HG2 PRO 18 11.803 4.874 -3.385
107 HG3 PRO 18 HG1 PRO 18 12.755 3.433 -3.772
108 HD2 PRO 18 HD2 PRO 18 10.127 3.348 -3.033
109 HD3 PRO 18 HD1 PRO 18 11.260 2.019 -2.745
110 H TRP 19 HN TRP 19 9.948 4.833 0.319
111 HA TRP 19 HA TRP 19 9.574 7.367 -0.378
112 HB2 TRP 19 HB2 TRP 19 7.701 6.163 0.280
113 HB3 TRP 19 HB1 TRP 19 8.375 5.828 1.860
114 HD1 TRP 19 HD1 TRP 19 8.701 8.146 3.275
115 HE1 TRP 19 HE1 TRP 19 6.838 10.005 3.753
116 HE3 TRP 19 3HE TRP 19 5.643 7.137 -0.580
117 HZ2 TRP 19 HZ2 TRP 19 4.408 10.804 2.552
118 HZ3 TRP 19 HZ3 TRP 19 3.580 8.430 -0.888
119 HH2 TRP 19 2HH TRP 19 2.978 10.221 0.645
120 HA PRO 20 HA PRO 20 11.364 5.760 1.984
121 HB2 PRO 20 HB2 PRO 20 12.795 5.599 4.342
122 HB3 PRO 20 HB1 PRO 20 13.482 5.940 2.750
123 HG2 PRO 20 HG2 PRO 20 13.147 7.754 4.990
124 HG3 PRO 20 HG1 PRO 20 13.976 8.038 3.454
125 HD2 PRO 20 HD2 PRO 20 11.257 8.820 4.275
126 HD3 PRO 20 HD1 PRO 20 12.238 9.423 2.924
127 H LEU 21 HN LEU 21 9.782 4.631 2.356
128 HA LEU 21 HA LEU 21 8.492 4.512 4.992
129 HB2 LEU 21 HB2 LEU 21 7.654 3.766 2.247
130 HB3 LEU 21 HB1 LEU 21 6.967 2.831 3.547
131 HG LEU 21 HG LEU 21 6.723 5.832 3.221
132 HD11 LEU 21 HD11 LEU 21 5.482 4.560 1.524
133 HD12 LEU 21 HD12 LEU 21 4.403 5.362 2.662
134 HD13 LEU 21 HD13 LEU 21 4.699 3.629 2.802
135 HD21 LEU 21 HD21 LEU 21 5.469 3.920 5.187
136 HD22 LEU 21 HD22 LEU 21 5.061 5.621 5.020
137 HD23 LEU 21 HD23 LEU 21 6.667 5.155 5.570
138 H GLY 22 HN GLY 22 10.059 2.582 2.553
139 HA2 GLY 22 HA2 GLY 22 11.526 0.797 3.010
140 HA3 GLY 22 HA1 GLY 22 10.850 0.681 4.634
141 H HIS 23 HN HIS 23 10.553 -1.550 4.357
142 HA HIS 23 HA HIS 23 8.839 -2.538 2.278
143 HB2 HIS 23 HB2 HIS 23 10.658 -3.911 3.286
144 HB3 HIS 23 HB1 HIS 23 9.776 -3.907 4.807
145 HD1 HIS 23 HD1 HIS 23 8.065 -5.753 5.110
146 HD2 HIS 23 HD2 HIS 23 9.261 -5.273 1.162
147 HE1 HIS 23 HE1 HIS 23 7.089 -7.695 3.855
148 H GLN 24 HN GLN 24 6.799 -2.071 2.288
149 HA GLN 24 HA GLN 24 5.366 -1.800 4.838
150 HB2 GLN 24 HB2 GLN 24 4.738 -0.678 2.121
151 HB3 GLN 24 HB1 GLN 24 3.767 -0.409 3.545
152 HG2 GLN 24 HG2 GLN 24 6.591 0.528 3.074
153 HG3 GLN 24 HG1 GLN 24 5.136 1.519 3.030
154 HE21 GLN 24 1HE2 GLN 24 4.128 2.008 4.954
155 HE22 GLN 24 2HE2 GLN 24 4.905 1.874 6.482
156 H CYS 25 HN CYS 25 3.665 -3.090 5.165
157 HA CYS 25 HA CYS 25 2.795 -4.816 2.965
158 HB2 CYS 25 HB2 CYS 25 3.112 -5.420 5.885
159 HB3 CYS 25 HB1 CYS 25 2.086 -6.397 4.840
160 H PHE 26 HN PHE 26 0.671 -5.078 2.644
161 HA PHE 26 HA PHE 26 -1.119 -3.502 4.347
162 HB2 PHE 26 HB2 PHE 26 -1.431 -4.309 1.441
163 HB3 PHE 26 HB1 PHE 26 -2.657 -3.471 2.380
164 HD1 PHE 26 HD1 PHE 26 0.444 -3.149 0.519
165 HD2 PHE 26 HD2 PHE 26 -2.277 -1.150 3.110
166 HE1 PHE 26 HE1 PHE 26 1.427 -0.990 -0.122
167 HE2 PHE 26 HE2 PHE 26 -1.300 1.005 2.482
168 HZ PHE 26 HZ PHE 26 0.565 1.092 0.857
169 HA PRO 27 HA PRO 27 -2.399 -7.757 5.543
170 HB2 PRO 27 HB2 PRO 27 -4.053 -6.024 7.327
171 HB3 PRO 27 HB1 PRO 27 -3.097 -7.451 7.739
172 HG2 PRO 27 HG2 PRO 27 -2.215 -5.033 8.394
173 HG3 PRO 27 HG1 PRO 27 -1.095 -6.266 7.785
174 HD2 PRO 27 HD2 PRO 27 -2.251 -3.896 6.365
175 HD3 PRO 27 HD1 PRO 27 -0.622 -4.588 6.270
176 H ASP 28 HN ASP 28 -4.528 -4.906 5.370
177 HA ASP 28 HA ASP 28 -6.103 -6.337 3.440
178 HB2 ASP 28 HB2 ASP 28 -8.215 -5.586 4.337
179 HB3 ASP 28 HB1 ASP 28 -7.369 -6.368 5.651
Start of MODEL 7
1 H1 GLY 1 HN GLY 1 -7.896 -5.627 -0.075
2 HA2 GLY 1 HA2 GLY 1 -6.020 -3.428 -0.277
3 HA3 GLY 1 HA1 GLY 1 -6.607 -4.423 -1.607
4 H PHE 2 HN PHE 2 -6.511 -1.785 -2.012
5 HA PHE 2 HA PHE 2 -9.277 -1.097 -2.271
6 HB2 PHE 2 HB2 PHE 2 -9.093 1.084 -1.112
7 HB3 PHE 2 HB1 PHE 2 -8.876 -0.267 -0.009
8 HD1 PHE 2 HD1 PHE 2 -7.280 2.593 -1.626
9 HD2 PHE 2 HD2 PHE 2 -6.705 -0.695 1.015
10 HE1 PHE 2 HE1 PHE 2 -5.175 3.579 -0.869
11 HE2 PHE 2 HE2 PHE 2 -4.589 0.291 1.781
12 HZ PHE 2 HZ PHE 2 -3.820 2.433 0.837
13 H CYS 3 HN CYS 3 -9.448 1.068 -3.389
14 HA CYS 3 HA CYS 3 -7.143 1.509 -5.121
15 HB2 CYS 3 HB2 CYS 3 -10.069 1.548 -5.858
16 HB3 CYS 3 HB1 CYS 3 -8.787 2.151 -6.894
17 H TRP 4 HN TRP 4 -6.420 3.460 -5.134
18 HA TRP 4 HA TRP 4 -8.145 5.761 -4.563
19 HB2 TRP 4 HB2 TRP 4 -7.064 5.181 -2.399
20 HB3 TRP 4 HB1 TRP 4 -5.492 5.254 -3.189
21 HD1 TRP 4 HD1 TRP 4 -8.434 7.545 -2.367
22 HE1 TRP 4 HE1 TRP 4 -7.616 9.975 -2.171
23 HE3 TRP 4 3HE TRP 4 -3.609 6.834 -3.762
24 HZ2 TRP 4 HZ2 TRP 4 -5.211 11.407 -2.608
25 HZ3 TRP 4 HZ3 TRP 4 -2.130 8.815 -3.896
26 HH2 TRP 4 2HH TRP 4 -2.910 11.012 -3.313
27 H HIS 5 HN HIS 5 -8.002 6.915 -6.182
28 HA HIS 5 HA HIS 5 -7.097 8.437 -7.650
29 HB2 HIS 5 HB2 HIS 5 -5.803 8.527 -5.415
30 HB3 HIS 5 HB1 HIS 5 -4.432 8.027 -6.329
31 HD1 HIS 5 HD1 HIS 5 -3.312 10.011 -7.677
32 HD2 HIS 5 HD2 HIS 5 -6.960 10.733 -5.937
33 HE1 HIS 5 HE1 HIS 5 -3.565 12.506 -7.767
34 H HIS 6 HN HIS 6 -7.282 5.832 -8.476
35 HA HIS 6 HA HIS 6 -6.807 4.516 -10.239
36 HB2 HIS 6 HB2 HIS 6 -6.242 6.684 -11.404
37 HB3 HIS 6 HB1 HIS 6 -4.563 6.440 -10.948
38 HD1 HIS 6 HD1 HIS 6 -3.246 5.533 -12.866
39 HD2 HIS 6 HD2 HIS 6 -7.191 4.251 -12.904
40 HE1 HIS 6 HE1 HIS 6 -3.510 4.169 -14.973
41 H SER 7 HN SER 7 -5.178 4.583 -7.567
42 HA SER 7 HA SER 7 -3.236 2.587 -8.475
43 HB2 SER 7 HB2 SER 7 -3.212 4.218 -5.932
44 HB3 SER 7 HB1 SER 7 -1.931 3.153 -6.530
45 HG SER 7 HG SER 7 -2.928 5.312 -8.019
46 H CYS 8 HN CYS 8 -3.684 0.548 -7.861
47 HA CYS 8 HA CYS 8 -5.613 0.158 -5.688
48 HB2 CYS 8 HB2 CYS 8 -5.384 -1.415 -8.251
49 HB3 CYS 8 HB1 CYS 8 -6.421 -1.831 -6.898
50 H VAL 9 HN VAL 9 -4.805 -0.903 -4.089
51 HA VAL 9 HA VAL 9 -2.609 -2.751 -4.593
52 HB VAL 9 HB VAL 9 -2.252 -2.770 -2.113
53 HG11 VAL 9 HG11 VAL 9 -2.225 -0.019 -3.333
54 HG12 VAL 9 HG12 VAL 9 -0.944 -1.229 -3.430
55 HG13 VAL 9 3HG1 VAL 9 -1.350 -0.497 -1.880
56 HG21 VAL 9 HG21 VAL 9 -4.364 -0.608 -2.044
57 HG22 VAL 9 HG22 VAL 9 -3.360 -1.105 -0.683
58 HG23 VAL 9 HG23 VAL 9 -4.522 -2.234 -1.379
59 HA PRO 10 HA PRO 10 -5.739 -5.828 -4.123
60 HB2 PRO 10 HB2 PRO 10 -4.195 -8.037 -4.305
61 HB3 PRO 10 HB1 PRO 10 -4.587 -7.034 -5.704
62 HG2 PRO 10 HG2 PRO 10 -2.076 -7.135 -4.095
63 HG3 PRO 10 HG1 PRO 10 -2.287 -6.919 -5.841
64 HD2 PRO 10 HD2 PRO 10 -1.782 -4.871 -4.062
65 HD3 PRO 10 HD1 PRO 10 -2.553 -4.667 -5.648
66 H SER 11 HN SER 11 -6.526 -7.291 -2.577
67 HA SER 11 HA SER 11 -5.751 -6.921 0.082
68 HB2 SER 11 HB2 SER 11 -7.439 -9.101 -1.157
69 HB3 SER 11 HB1 SER 11 -7.419 -8.656 0.552
70 HG SER 11 HG SER 11 -9.097 -7.716 -0.996
71 H GLY 12 HN GLY 12 -4.112 -7.828 1.181
72 HA2 GLY 12 HA2 GLY 12 -3.033 -9.870 1.897
73 HA3 GLY 12 HA1 GLY 12 -3.102 -10.413 0.222
74 H THR 13 HN THR 13 -2.440 -7.184 0.258
75 HA THR 13 HA THR 13 0.262 -7.616 -0.504
76 HB THR 13 HB THR 13 -1.345 -5.076 -0.191
77 HG1 THR 13 HG1 THR 13 -2.083 -6.089 -1.912
78 HG21 THR 13 HG21 THR 13 1.037 -4.551 0.089
79 HG22 THR 13 HG22 THR 13 0.466 -3.969 -1.475
80 HG23 THR 13 HG23 THR 13 1.427 -5.444 -1.377
81 H CYS 14 HN CYS 14 1.379 -8.343 1.158
82 HA CYS 14 HA CYS 14 1.935 -6.433 3.323
83 HB2 CYS 14 HB2 CYS 14 0.839 -8.567 4.106
84 HB3 CYS 14 HB1 CYS 14 2.169 -9.461 3.392
85 H ALA 15 HN ALA 15 3.703 -5.411 2.705
86 HA ALA 15 HA ALA 15 6.045 -6.919 1.990
87 HB1 ALA 15 HB1 ALA 15 4.811 -5.063 -0.044
88 HB2 ALA 15 HB2 ALA 15 4.855 -6.818 -0.160
89 HB3 ALA 15 HB3 ALA 15 6.360 -5.896 -0.193
90 H ASP 16 HN ASP 16 7.769 -5.315 1.302
91 HA ASP 16 HA ASP 16 7.734 -3.060 3.117
92 HB2 ASP 16 HB2 ASP 16 10.158 -2.968 2.690
93 HB3 ASP 16 HB1 ASP 16 9.681 -4.582 3.195
94 H PHE 17 HN PHE 17 7.874 -1.022 2.421
95 HA PHE 17 HA PHE 17 7.925 -0.465 -0.453
96 HB2 PHE 17 HB2 PHE 17 5.938 0.589 1.583
97 HB3 PHE 17 HB1 PHE 17 6.130 1.257 -0.028
98 HD1 PHE 17 HD1 PHE 17 4.848 -1.528 1.950
99 HD2 PHE 17 HD2 PHE 17 5.328 0.041 -1.973
100 HE1 PHE 17 HE1 PHE 17 3.186 -3.131 1.110
101 HE2 PHE 17 HE2 PHE 17 3.671 -1.555 -2.817
102 HZ PHE 17 HZ PHE 17 2.597 -3.144 -1.284
103 HA PRO 18 HA PRO 18 10.946 2.552 0.606
104 HB2 PRO 18 HB2 PRO 18 10.137 4.731 -0.892
105 HB3 PRO 18 HB1 PRO 18 11.053 3.363 -1.528
106 HG2 PRO 18 HG2 PRO 18 8.110 3.881 -1.632
107 HG3 PRO 18 HG1 PRO 18 9.180 3.253 -2.899
108 HD2 PRO 18 HD2 PRO 18 7.601 1.614 -1.520
109 HD3 PRO 18 HD1 PRO 18 9.250 1.128 -1.954
110 H TRP 19 HN TRP 19 11.321 4.611 1.584
111 HA TRP 19 HA TRP 19 9.774 5.232 3.767
112 HB2 TRP 19 HB2 TRP 19 12.086 5.891 3.720
113 HB3 TRP 19 HB1 TRP 19 11.852 6.838 2.262
114 HD1 TRP 19 HD1 TRP 19 11.062 6.990 6.050
115 HE1 TRP 19 HE1 TRP 19 10.733 9.458 6.694
116 HE3 TRP 19 3HE TRP 19 11.310 9.086 1.420
117 HZ2 TRP 19 HZ2 TRP 19 10.584 11.954 5.414
118 HZ3 TRP 19 HZ3 TRP 19 11.056 11.517 1.211
119 HH2 TRP 19 2HH TRP 19 10.703 12.912 3.160
120 HA PRO 20 HA PRO 20 8.923 6.404 5.051
121 HB2 PRO 20 HB2 PRO 20 6.566 7.771 5.855
122 HB3 PRO 20 HB1 PRO 20 8.234 8.334 5.996
123 HG2 PRO 20 HG2 PRO 20 6.372 9.532 4.403
124 HG3 PRO 20 HG1 PRO 20 8.108 9.591 4.096
125 HD2 PRO 20 HD2 PRO 20 6.082 7.697 2.909
126 HD3 PRO 20 HD1 PRO 20 7.322 8.669 2.068
127 H LEU 21 HN LEU 21 7.199 4.826 3.021
128 HA LEU 21 HA LEU 21 4.889 4.068 4.526
129 HB2 LEU 21 HB2 LEU 21 6.160 2.778 2.122
130 HB3 LEU 21 HB1 LEU 21 4.644 2.267 2.833
131 HG LEU 21 HG LEU 21 5.196 4.917 1.511
132 HD11 LEU 21 HD11 LEU 21 3.526 2.556 0.677
133 HD12 LEU 21 HD12 LEU 21 5.016 3.124 -0.085
134 HD13 LEU 21 HD13 LEU 21 3.559 4.114 -0.141
135 HD21 LEU 21 HD21 LEU 21 2.656 3.857 2.756
136 HD22 LEU 21 HD22 LEU 21 2.787 5.327 1.792
137 HD23 LEU 21 HD23 LEU 21 3.619 5.218 3.339
138 H GLY 22 HN GLY 22 7.978 2.466 3.784
139 HA2 GLY 22 HA2 GLY 22 9.208 1.072 5.114
140 HA3 GLY 22 HA1 GLY 22 8.083 1.377 6.424
141 H HIS 23 HN HIS 23 6.702 -0.186 6.950
142 HA HIS 23 HA HIS 23 6.508 -2.494 5.136
143 HB2 HIS 23 HB2 HIS 23 6.292 -2.426 8.161
144 HB3 HIS 23 HB1 HIS 23 5.984 -3.845 7.172
145 HD1 HIS 23 HD1 HIS 23 8.656 -2.105 8.948
146 HD2 HIS 23 HD2 HIS 23 8.366 -4.756 5.759
147 HE1 HIS 23 HE1 HIS 23 10.943 -3.111 8.677
148 H GLN 24 HN GLN 24 4.596 -2.740 4.250
149 HA GLN 24 HA GLN 24 2.257 -1.714 5.689
150 HB2 GLN 24 HB2 GLN 24 2.825 -1.431 2.731
151 HB3 GLN 24 HB1 GLN 24 1.292 -1.044 3.497
152 HG2 GLN 24 HG2 GLN 24 3.907 0.265 4.189
153 HG3 GLN 24 HG1 GLN 24 2.727 0.922 3.057
154 HE21 GLN 24 1HE2 GLN 24 3.786 1.843 5.697
155 HE22 GLN 24 2HE2 GLN 24 2.375 2.172 6.618
156 H CYS 25 HN CYS 25 0.799 -3.205 5.994
157 HA CYS 25 HA CYS 25 0.610 -5.389 4.097
158 HB2 CYS 25 HB2 CYS 25 0.679 -5.737 7.106
159 HB3 CYS 25 HB1 CYS 25 0.352 -7.017 5.942
160 H PHE 26 HN PHE 26 -1.129 -4.902 3.192
161 HA PHE 26 HA PHE 26 -3.440 -3.959 4.691
162 HB2 PHE 26 HB2 PHE 26 -3.051 -4.208 1.699
163 HB3 PHE 26 HB1 PHE 26 -4.373 -3.385 2.513
164 HD1 PHE 26 HD1 PHE 26 -1.134 -3.047 1.089
165 HD2 PHE 26 HD2 PHE 26 -3.750 -1.381 4.003
166 HE1 PHE 26 HE1 PHE 26 0.169 -0.969 1.060
167 HE2 PHE 26 HE2 PHE 26 -2.454 0.699 3.981
168 HZ PHE 26 HZ PHE 26 -0.488 0.914 2.511
169 HA PRO 27 HA PRO 27 -4.875 -8.271 4.391
170 HB2 PRO 27 HB2 PRO 27 -7.123 -7.867 5.920
171 HB3 PRO 27 HB1 PRO 27 -5.533 -8.207 6.607
172 HG2 PRO 27 HG2 PRO 27 -6.951 -5.598 6.305
173 HG3 PRO 27 HG1 PRO 27 -5.951 -6.179 7.646
174 HD2 PRO 27 HD2 PRO 27 -5.068 -4.421 5.795
175 HD3 PRO 27 HD1 PRO 27 -3.992 -5.582 6.597
176 H ASP 28 HN ASP 28 -6.569 -5.295 3.828
177 HA ASP 28 HA ASP 28 -8.135 -6.549 1.743
178 HB2 ASP 28 HB2 ASP 28 -9.973 -5.005 2.206
179 HB3 ASP 28 HB1 ASP 28 -9.621 -5.928 3.656
Start of MODEL 8
1 H1 GLY 1 HN GLY 1 -7.773 -5.916 -0.788
2 HA2 GLY 1 HA2 GLY 1 -5.949 -3.888 -1.448
3 HA3 GLY 1 HA1 GLY 1 -6.825 -4.896 -2.590
4 H PHE 2 HN PHE 2 -6.284 -2.267 -3.122
5 HA PHE 2 HA PHE 2 -8.929 -1.176 -3.346
6 HB2 PHE 2 HB2 PHE 2 -8.293 1.008 -2.337
7 HB3 PHE 2 HB1 PHE 2 -8.354 -0.306 -1.170
8 HD1 PHE 2 HD1 PHE 2 -6.318 2.256 -2.704
9 HD2 PHE 2 HD2 PHE 2 -6.193 -1.272 -0.329
10 HE1 PHE 2 HE1 PHE 2 -4.046 2.822 -1.977
11 HE2 PHE 2 HE2 PHE 2 -3.914 -0.697 0.392
12 HZ PHE 2 HZ PHE 2 -2.842 1.349 -0.434
13 H CYS 3 HN CYS 3 -9.133 0.115 -5.108
14 HA CYS 3 HA CYS 3 -6.684 0.756 -6.608
15 HB2 CYS 3 HB2 CYS 3 -9.486 0.435 -7.703
16 HB3 CYS 3 HB1 CYS 3 -8.015 0.631 -8.634
17 H TRP 4 HN TRP 4 -6.365 2.915 -7.121
18 HA TRP 4 HA TRP 4 -8.338 4.870 -7.346
19 HB2 TRP 4 HB2 TRP 4 -8.220 6.093 -5.298
20 HB3 TRP 4 HB1 TRP 4 -8.436 4.390 -4.891
21 HD1 TRP 4 HD1 TRP 4 -5.294 3.548 -4.988
22 HE1 TRP 4 HE1 TRP 4 -3.738 4.356 -3.098
23 HE3 TRP 4 3HE TRP 4 -8.099 7.447 -3.241
24 HZ2 TRP 4 HZ2 TRP 4 -3.715 6.371 -1.142
25 HZ3 TRP 4 HZ3 TRP 4 -7.240 8.758 -1.348
26 HH2 TRP 4 2HH TRP 4 -5.093 8.227 -0.319
27 H HIS 5 HN HIS 5 -7.331 7.014 -7.688
28 HA HIS 5 HA HIS 5 -5.726 8.387 -8.531
29 HB2 HIS 5 HB2 HIS 5 -4.011 6.655 -6.744
30 HB3 HIS 5 HB1 HIS 5 -3.282 7.911 -7.723
31 HD1 HIS 5 HD1 HIS 5 -2.597 9.546 -5.889
32 HD2 HIS 5 HD2 HIS 5 -6.537 8.283 -5.507
33 HE1 HIS 5 HE1 HIS 5 -3.603 10.978 -4.102
34 H HIS 6 HN HIS 6 -6.538 5.887 -9.823
35 HA HIS 6 HA HIS 6 -6.185 4.642 -11.625
36 HB2 HIS 6 HB2 HIS 6 -4.126 6.770 -12.233
37 HB3 HIS 6 HB1 HIS 6 -4.421 5.419 -13.324
38 HD1 HIS 6 HD1 HIS 6 -6.397 5.637 -14.900
39 HD2 HIS 6 HD2 HIS 6 -6.403 8.491 -11.876
40 HE1 HIS 6 HE1 HIS 6 -8.279 7.236 -15.441
41 H SER 7 HN SER 7 -4.732 4.135 -9.096
42 HA SER 7 HA SER 7 -2.861 2.216 -10.241
43 HB2 SER 7 HB2 SER 7 -1.650 4.160 -9.158
44 HB3 SER 7 HB1 SER 7 -2.460 3.750 -7.648
45 HG SER 7 HG SER 7 -0.218 2.850 -8.408
46 H CYS 8 HN CYS 8 -2.639 0.352 -8.595
47 HA CYS 8 HA CYS 8 -4.802 0.236 -6.736
48 HB2 CYS 8 HB2 CYS 8 -5.925 -0.391 -8.863
49 HB3 CYS 8 HB1 CYS 8 -4.790 -1.724 -9.041
50 H VAL 9 HN VAL 9 -4.446 -1.077 -5.137
51 HA VAL 9 HA VAL 9 -2.090 -2.825 -5.266
52 HB VAL 9 HB VAL 9 -3.296 -1.441 -2.841
53 HG11 VAL 9 HG11 VAL 9 -1.283 -2.191 -1.669
54 HG12 VAL 9 HG12 VAL 9 -0.765 -3.038 -3.128
55 HG13 VAL 9 3HG1 VAL 9 -2.232 -3.544 -2.288
56 HG21 VAL 9 HG21 VAL 9 -1.283 -0.038 -2.812
57 HG22 VAL 9 HG22 VAL 9 -2.225 0.200 -4.286
58 HG23 VAL 9 HG23 VAL 9 -0.755 -0.774 -4.326
59 HA PRO 10 HA PRO 10 -5.673 -5.583 -4.678
60 HB2 PRO 10 HB2 PRO 10 -3.782 -7.766 -5.133
61 HB3 PRO 10 HB1 PRO 10 -5.188 -7.304 -6.092
62 HG2 PRO 10 HG2 PRO 10 -2.657 -6.954 -6.984
63 HG3 PRO 10 HG1 PRO 10 -3.978 -5.855 -7.415
64 HD2 PRO 10 HD2 PRO 10 -1.825 -5.510 -5.357
65 HD3 PRO 10 HD1 PRO 10 -2.488 -4.336 -6.522
66 H SER 11 HN SER 11 -5.990 -7.636 -3.323
67 HA SER 11 HA SER 11 -4.942 -7.179 -0.706
68 HB2 SER 11 HB2 SER 11 -6.655 -9.447 -1.742
69 HB3 SER 11 HB1 SER 11 -6.416 -9.013 -0.051
70 HG SER 11 HG SER 11 -8.252 -8.130 -1.665
71 H GLY 12 HN GLY 12 -3.309 -8.321 0.340
72 HA2 GLY 12 HA2 GLY 12 -2.176 -10.442 0.650
73 HA3 GLY 12 HA1 GLY 12 -2.190 -10.625 -1.101
74 H THR 13 HN THR 13 -1.784 -7.492 -0.611
75 HA THR 13 HA THR 13 0.993 -7.653 -1.260
76 HB THR 13 HB THR 13 -0.737 -5.185 -1.034
77 HG1 THR 13 HG1 THR 13 -1.753 -6.117 -2.653
78 HG21 THR 13 HG21 THR 13 1.789 -5.798 -2.594
79 HG22 THR 13 HG22 THR 13 1.700 -4.806 -1.139
80 HG23 THR 13 HG23 THR 13 0.913 -4.268 -2.623
81 H CYS 14 HN CYS 14 2.234 -7.902 0.363
82 HA CYS 14 HA CYS 14 2.156 -5.988 2.572
83 HB2 CYS 14 HB2 CYS 14 3.264 -8.794 2.437
84 HB3 CYS 14 HB1 CYS 14 3.648 -7.675 3.738
85 H ALA 15 HN ALA 15 3.429 -4.393 1.961
86 HA ALA 15 HA ALA 15 6.053 -5.085 0.852
87 HB1 ALA 15 HB1 ALA 15 5.914 -3.202 -0.684
88 HB2 ALA 15 HB2 ALA 15 4.290 -2.832 -0.107
89 HB3 ALA 15 HB3 ALA 15 4.594 -4.336 -0.977
90 H ASP 16 HN ASP 16 7.718 -3.680 1.415
91 HA ASP 16 HA ASP 16 7.083 -2.074 3.743
92 HB2 ASP 16 HB2 ASP 16 9.538 -2.135 4.192
93 HB3 ASP 16 HB1 ASP 16 8.782 -3.720 4.187
94 H PHE 17 HN PHE 17 6.727 -0.123 3.452
95 HA PHE 17 HA PHE 17 8.068 1.399 1.310
96 HB2 PHE 17 HB2 PHE 17 5.633 2.080 2.984
97 HB3 PHE 17 HB1 PHE 17 6.232 3.054 1.660
98 HD1 PHE 17 HD1 PHE 17 4.564 -0.086 2.627
99 HD2 PHE 17 HD2 PHE 17 5.474 2.585 -0.559
100 HE1 PHE 17 HE1 PHE 17 2.899 -1.208 1.229
101 HE2 PHE 17 HE2 PHE 17 3.811 1.451 -1.973
102 HZ PHE 17 HZ PHE 17 2.512 -0.453 -1.064
103 HA PRO 18 HA PRO 18 10.507 2.075 5.147
104 HB2 PRO 18 HB2 PRO 18 11.855 3.980 3.289
105 HB3 PRO 18 HB1 PRO 18 12.559 2.819 4.416
106 HG2 PRO 18 HG2 PRO 18 12.461 2.262 1.824
107 HG3 PRO 18 HG1 PRO 18 12.139 1.007 3.030
108 HD2 PRO 18 HD2 PRO 18 10.225 2.479 1.277
109 HD3 PRO 18 HD1 PRO 18 10.176 0.801 1.852
110 H TRP 19 HN TRP 19 10.321 5.118 3.318
111 HA TRP 19 HA TRP 19 9.889 6.435 5.858
112 HB2 TRP 19 HB2 TRP 19 11.702 7.298 4.621
113 HB3 TRP 19 HB1 TRP 19 10.727 7.477 3.168
114 HD1 TRP 19 HD1 TRP 19 10.498 8.880 6.798
115 HE1 TRP 19 HE1 TRP 19 9.948 11.395 6.628
116 HE3 TRP 19 3HE TRP 19 10.276 9.336 1.717
117 HZ2 TRP 19 HZ2 TRP 19 9.492 13.308 4.626
118 HZ3 TRP 19 HZ3 TRP 19 9.783 11.551 0.753
119 HH2 TRP 19 2HH TRP 19 9.399 13.488 2.182
120 HA PRO 20 HA PRO 20 8.639 6.320 7.174
121 HB2 PRO 20 HB2 PRO 20 6.929 7.688 8.640
122 HB3 PRO 20 HB1 PRO 20 8.123 8.575 7.684
123 HG2 PRO 20 HG2 PRO 20 5.207 8.387 7.291
124 HG3 PRO 20 HG1 PRO 20 6.345 9.582 6.658
125 HD2 PRO 20 HD2 PRO 20 5.318 7.149 5.401
126 HD3 PRO 20 HD1 PRO 20 6.169 8.515 4.650
127 H LEU 21 HN LEU 21 7.061 4.502 5.652
128 HA LEU 21 HA LEU 21 4.621 4.037 7.221
129 HB2 LEU 21 HB2 LEU 21 5.519 2.824 4.658
130 HB3 LEU 21 HB1 LEU 21 4.032 2.363 5.434
131 HG LEU 21 HG LEU 21 3.411 4.891 5.099
132 HD11 LEU 21 HD11 LEU 21 5.451 4.543 2.914
133 HD12 LEU 21 HD12 LEU 21 5.687 5.531 4.338
134 HD13 LEU 21 HD13 LEU 21 4.412 5.946 3.182
135 HD21 LEU 21 HD21 LEU 21 3.530 2.905 2.849
136 HD22 LEU 21 HD22 LEU 21 2.546 4.364 2.879
137 HD23 LEU 21 HD23 LEU 21 2.247 3.079 4.052
138 H GLY 22 HN GLY 22 7.072 2.006 5.728
139 HA2 GLY 22 HA2 GLY 22 8.325 0.401 6.943
140 HA3 GLY 22 HA1 GLY 22 7.007 0.318 8.117
141 H HIS 23 HN HIS 23 6.926 -1.941 7.801
142 HA HIS 23 HA HIS 23 6.214 -3.005 5.236
143 HB2 HIS 23 HB2 HIS 23 7.448 -4.307 6.995
144 HB3 HIS 23 HB1 HIS 23 5.981 -4.295 7.962
145 HD1 HIS 23 HD1 HIS 23 4.613 -6.380 7.698
146 HD2 HIS 23 HD2 HIS 23 6.872 -5.522 4.320
147 HE1 HIS 23 HE1 HIS 23 4.147 -8.218 6.074
148 H GLN 24 HN GLN 24 4.299 -2.711 4.382
149 HA GLN 24 HA GLN 24 1.993 -2.335 6.155
150 HB2 GLN 24 HB2 GLN 24 2.559 -1.228 3.419
151 HB3 GLN 24 HB1 GLN 24 1.028 -1.022 4.237
152 HG2 GLN 24 HG2 GLN 24 3.702 -0.015 5.203
153 HG3 GLN 24 HG1 GLN 24 2.472 0.950 4.396
154 HE21 GLN 24 1HE2 GLN 24 3.378 -0.648 7.357
155 HE22 GLN 24 2HE2 GLN 24 2.170 0.110 8.334
156 H CYS 25 HN CYS 25 0.559 -3.878 6.073
157 HA CYS 25 HA CYS 25 0.209 -5.459 3.629
158 HB2 CYS 25 HB2 CYS 25 -0.372 -6.161 6.521
159 HB3 CYS 25 HB1 CYS 25 -0.880 -7.137 5.152
160 H PHE 26 HN PHE 26 -1.462 -4.642 2.585
161 HA PHE 26 HA PHE 26 -3.445 -3.137 4.049
162 HB2 PHE 26 HB2 PHE 26 -3.259 -3.743 1.089
163 HB3 PHE 26 HB1 PHE 26 -4.409 -2.630 1.817
164 HD1 PHE 26 HD1 PHE 26 -1.131 -3.029 0.465
165 HD2 PHE 26 HD2 PHE 26 -3.455 -0.624 3.098
166 HE1 PHE 26 HE1 PHE 26 0.537 -1.230 0.292
167 HE2 PHE 26 HE2 PHE 26 -1.792 1.178 2.923
168 HZ PHE 26 HZ PHE 26 0.208 0.878 1.520
169 HA PRO 27 HA PRO 27 -5.737 -6.833 5.017
170 HB2 PRO 27 HB2 PRO 27 -7.960 -4.890 5.351
171 HB3 PRO 27 HB1 PRO 27 -7.363 -6.119 6.464
172 HG2 PRO 27 HG2 PRO 27 -6.811 -3.544 6.871
173 HG3 PRO 27 HG1 PRO 27 -5.611 -4.803 7.206
174 HD2 PRO 27 HD2 PRO 27 -5.762 -2.891 4.925
175 HD3 PRO 27 HD1 PRO 27 -4.346 -3.542 5.780
176 H ASP 28 HN ASP 28 -7.135 -4.336 2.958
177 HA ASP 28 HA ASP 28 -8.205 -6.392 1.211
178 HB2 ASP 28 HB2 ASP 28 -9.691 -3.844 1.938
179 HB3 ASP 28 HB1 ASP 28 -10.242 -5.110 0.854
Start of MODEL 9
1 H1 GLY 1 HN GLY 1 -5.240 -5.148 1.789
2 HA2 GLY 1 HA2 GLY 1 -4.589 -4.959 -0.437
3 HA3 GLY 1 HA1 GLY 1 -5.671 -6.268 -0.865
4 H PHE 2 HN PHE 2 -5.305 -3.677 -2.105
5 HA PHE 2 HA PHE 2 -8.110 -2.933 -2.144
6 HB2 PHE 2 HB2 PHE 2 -7.672 -0.551 -2.069
7 HB3 PHE 2 HB1 PHE 2 -7.024 -1.287 -0.615
8 HD1 PHE 2 HD1 PHE 2 -6.292 0.568 -3.638
9 HD2 PHE 2 HD2 PHE 2 -4.557 -1.484 -0.341
10 HE1 PHE 2 HE1 PHE 2 -4.146 1.665 -4.090
11 HE2 PHE 2 HE2 PHE 2 -2.414 -0.393 -0.788
12 HZ PHE 2 HZ PHE 2 -2.199 1.184 -2.663
13 H CYS 3 HN CYS 3 -8.697 -1.845 -4.110
14 HA CYS 3 HA CYS 3 -6.764 -1.544 -6.193
15 HB2 CYS 3 HB2 CYS 3 -7.254 -3.973 -6.296
16 HB3 CYS 3 HB1 CYS 3 -8.967 -3.603 -6.456
17 H TRP 4 HN TRP 4 -7.320 0.479 -6.676
18 HA TRP 4 HA TRP 4 -9.817 0.970 -7.934
19 HB2 TRP 4 HB2 TRP 4 -10.768 2.549 -6.419
20 HB3 TRP 4 HB1 TRP 4 -10.278 1.148 -5.469
21 HD1 TRP 4 HD1 TRP 4 -7.171 2.076 -5.030
22 HE1 TRP 4 HE1 TRP 4 -6.713 4.017 -3.384
23 HE3 TRP 4 3HE TRP 4 -11.820 4.188 -4.925
24 HZ2 TRP 4 HZ2 TRP 4 -8.125 6.145 -2.225
25 HZ3 TRP 4 HZ3 TRP 4 -12.185 6.165 -3.513
26 HH2 TRP 4 2HH TRP 4 -10.373 7.118 -2.187
27 H HIS 5 HN HIS 5 -9.743 3.075 -8.997
28 HA HIS 5 HA HIS 5 -8.677 4.722 -10.195
29 HB2 HIS 5 HB2 HIS 5 -6.930 4.730 -7.716
30 HB3 HIS 5 HB1 HIS 5 -6.663 5.843 -9.037
31 HD1 HIS 5 HD1 HIS 5 -7.316 8.051 -7.983
32 HD2 HIS 5 HD2 HIS 5 -10.108 5.053 -7.266
33 HE1 HIS 5 HE1 HIS 5 -9.222 9.139 -6.738
34 H HIS 6 HN HIS 6 -7.895 1.839 -10.373
35 HA HIS 6 HA HIS 6 -6.444 0.432 -11.309
36 HB2 HIS 6 HB2 HIS 6 -5.319 2.942 -12.580
37 HB3 HIS 6 HB1 HIS 6 -4.805 1.316 -13.016
38 HD1 HIS 6 HD1 HIS 6 -7.411 3.841 -13.722
39 HD2 HIS 6 HD2 HIS 6 -6.897 -0.260 -14.215
40 HE1 HIS 6 HE1 HIS 6 -9.145 3.114 -15.398
41 H SER 7 HN SER 7 -5.815 1.960 -8.755
42 HA SER 7 HA SER 7 -2.972 1.328 -8.581
43 HB2 SER 7 HB2 SER 7 -4.757 2.864 -6.660
44 HB3 SER 7 HB1 SER 7 -2.995 2.757 -6.610
45 HG SER 7 HG SER 7 -3.451 3.614 -8.961
46 H CYS 8 HN CYS 8 -2.930 -0.799 -8.106
47 HA CYS 8 HA CYS 8 -4.823 -1.742 -6.097
48 HB2 CYS 8 HB2 CYS 8 -4.057 -3.245 -8.598
49 HB3 CYS 8 HB1 CYS 8 -5.217 -3.749 -7.372
50 H VAL 9 HN VAL 9 -3.854 -2.487 -4.457
51 HA VAL 9 HA VAL 9 -1.377 -3.967 -4.780
52 HB VAL 9 HB VAL 9 -2.046 -2.024 -2.521
53 HG11 VAL 9 HG11 VAL 9 -0.828 -3.963 -1.709
54 HG12 VAL 9 HG12 VAL 9 0.191 -2.523 -1.675
55 HG13 VAL 9 3HG1 VAL 9 0.401 -3.721 -2.950
56 HG21 VAL 9 HG21 VAL 9 0.108 -1.851 -4.633
57 HG22 VAL 9 HG22 VAL 9 -0.107 -0.729 -3.290
58 HG23 VAL 9 HG23 VAL 9 -1.340 -0.849 -4.545
59 HA PRO 10 HA PRO 10 -4.569 -6.588 -2.981
60 HB2 PRO 10 HB2 PRO 10 -3.449 -8.946 -3.651
61 HB3 PRO 10 HB1 PRO 10 -4.315 -7.941 -4.819
62 HG2 PRO 10 HG2 PRO 10 -1.373 -8.210 -4.365
63 HG3 PRO 10 HG1 PRO 10 -2.262 -8.135 -5.895
64 HD2 PRO 10 HD2 PRO 10 -0.965 -6.012 -4.810
65 HD3 PRO 10 HD1 PRO 10 -2.401 -5.843 -5.840
66 H SER 11 HN SER 11 -4.541 -8.459 -1.526
67 HA SER 11 HA SER 11 -3.184 -7.924 0.855
68 HB2 SER 11 HB2 SER 11 -5.341 -8.999 0.848
69 HB3 SER 11 HB1 SER 11 -4.741 -10.340 -0.109
70 HG SER 11 HG SER 11 -4.616 -9.878 2.597
71 H GLY 12 HN GLY 12 -1.085 -8.226 1.188
72 HA2 GLY 12 HA2 GLY 12 0.564 -9.979 1.633
73 HA3 GLY 12 HA1 GLY 12 0.142 -10.651 0.059
74 H THR 13 HN THR 13 -0.119 -7.775 -0.899
75 HA THR 13 HA THR 13 2.644 -7.572 -1.646
76 HB THR 13 HB THR 13 0.262 -5.875 -2.466
77 HG1 THR 13 HG1 THR 13 0.590 -8.315 -3.024
78 HG21 THR 13 HG21 THR 13 2.458 -4.758 -2.788
79 HG22 THR 13 HG22 THR 13 1.680 -5.148 -4.321
80 HG23 THR 13 HG23 THR 13 3.003 -6.147 -3.729
81 H CYS 14 HN CYS 14 3.959 -6.547 -0.415
82 HA CYS 14 HA CYS 14 2.978 -4.436 1.314
83 HB2 CYS 14 HB2 CYS 14 4.225 -6.351 2.333
84 HB3 CYS 14 HB1 CYS 14 5.635 -5.889 1.393
85 H ALA 15 HN ALA 15 3.231 -2.454 0.746
86 HA ALA 15 HA ALA 15 4.985 -1.876 -1.509
87 HB1 ALA 15 HB1 ALA 15 3.652 0.137 -1.770
88 HB2 ALA 15 HB2 ALA 15 2.762 -0.254 -0.307
89 HB3 ALA 15 HB3 ALA 15 2.619 -1.295 -1.728
90 H ASP 16 HN ASP 16 6.479 -0.262 -1.454
91 HA ASP 16 HA ASP 16 7.340 0.547 1.201
92 HB2 ASP 16 HB2 ASP 16 9.525 1.000 0.140
93 HB3 ASP 16 HB1 ASP 16 9.012 -0.657 -0.120
94 H PHE 17 HN PHE 17 6.996 2.499 1.862
95 HA PHE 17 HA PHE 17 6.664 4.691 -0.076
96 HB2 PHE 17 HB2 PHE 17 5.116 4.229 2.484
97 HB3 PHE 17 HB1 PHE 17 4.940 5.626 1.444
98 HD1 PHE 17 HD1 PHE 17 3.534 2.642 2.399
99 HD2 PHE 17 HD2 PHE 17 4.336 4.908 -1.102
100 HE1 PHE 17 HE1 PHE 17 1.699 1.487 1.235
101 HE2 PHE 17 HE2 PHE 17 2.498 3.753 -2.268
102 HZ PHE 17 HZ PHE 17 1.182 2.043 -1.094
103 HA PRO 18 HA PRO 18 9.603 6.880 2.535
104 HB2 PRO 18 HB2 PRO 18 8.500 9.388 2.667
105 HB3 PRO 18 HB1 PRO 18 9.388 8.782 1.264
106 HG2 PRO 18 HG2 PRO 18 6.430 8.891 1.725
107 HG3 PRO 18 HG1 PRO 18 7.349 9.320 0.270
108 HD2 PRO 18 HD2 PRO 18 6.077 6.986 0.446
109 HD3 PRO 18 HD1 PRO 18 7.664 7.104 -0.336
110 H TRP 19 HN TRP 19 9.665 8.334 4.523
111 HA TRP 19 HA TRP 19 8.244 7.133 6.705
112 HB2 TRP 19 HB2 TRP 19 10.617 8.098 6.643
113 HB3 TRP 19 HB1 TRP 19 9.858 9.679 6.668
114 HD1 TRP 19 HD1 TRP 19 8.543 10.285 8.886
115 HE1 TRP 19 HE1 TRP 19 8.965 9.575 11.354
116 HE3 TRP 19 3HE TRP 19 11.368 6.192 8.011
117 HZ2 TRP 19 HZ2 TRP 19 10.349 7.511 12.709
118 HZ3 TRP 19 HZ3 TRP 19 12.220 4.881 9.914
119 HH2 TRP 19 2HH TRP 19 11.717 5.531 12.216
120 HA PRO 20 HA PRO 20 7.462 7.460 8.600
121 HB2 PRO 20 HB2 PRO 20 5.330 7.575 10.147
122 HB3 PRO 20 HB1 PRO 20 6.459 8.936 10.075
123 HG2 PRO 20 HG2 PRO 20 3.756 8.653 8.860
124 HG3 PRO 20 HG1 PRO 20 4.557 10.099 9.495
125 HD2 PRO 20 HD2 PRO 20 4.396 9.277 6.781
126 HD3 PRO 20 HD1 PRO 20 5.353 10.618 7.436
127 H LEU 21 HN LEU 21 5.952 6.826 5.991
128 HA LEU 21 HA LEU 21 4.042 4.868 6.874
129 HB2 LEU 21 HB2 LEU 21 5.034 5.531 4.113
130 HB3 LEU 21 HB1 LEU 21 3.667 4.491 4.482
131 HG LEU 21 HG LEU 21 3.836 7.451 5.070
132 HD11 LEU 21 HD11 LEU 21 3.651 7.022 2.704
133 HD12 LEU 21 HD12 LEU 21 2.132 7.664 3.337
134 HD13 LEU 21 HD13 LEU 21 2.290 5.940 2.995
135 HD21 LEU 21 HD21 LEU 21 2.454 6.294 6.706
136 HD22 LEU 21 HD22 LEU 21 1.560 5.505 5.407
137 HD23 LEU 21 HD23 LEU 21 1.452 7.253 5.615
138 H GLY 22 HN GLY 22 6.899 4.620 4.669
139 HA2 GLY 22 HA2 GLY 22 8.572 3.064 4.698
140 HA3 GLY 22 HA1 GLY 22 7.944 2.449 6.222
141 H HIS 23 HN HIS 23 7.700 0.317 5.908
142 HA HIS 23 HA HIS 23 6.622 -0.575 3.386
143 HB2 HIS 23 HB2 HIS 23 7.854 -2.062 5.676
144 HB3 HIS 23 HB1 HIS 23 6.974 -2.907 4.403
145 HD1 HIS 23 HD1 HIS 23 10.239 -2.703 5.199
146 HD2 HIS 23 HD2 HIS 23 8.165 -1.392 1.850
147 HE1 HIS 23 HE1 HIS 23 11.934 -2.561 3.348
148 H GLN 24 HN GLN 24 4.619 -0.202 3.266
149 HA GLN 24 HA GLN 24 2.904 -1.020 5.447
150 HB2 GLN 24 HB2 GLN 24 2.332 0.518 2.930
151 HB3 GLN 24 HB1 GLN 24 1.060 -0.009 4.018
152 HG2 GLN 24 HG2 GLN 24 3.317 1.885 4.661
153 HG3 GLN 24 HG1 GLN 24 1.612 2.277 4.438
154 HE21 GLN 24 1HE2 GLN 24 0.653 -0.053 5.930
155 HE22 GLN 24 2HE2 GLN 24 0.993 0.270 7.590
156 H CYS 25 HN CYS 25 2.705 -3.021 5.464
157 HA CYS 25 HA CYS 25 2.466 -4.565 3.034
158 HB2 CYS 25 HB2 CYS 25 2.528 -5.470 5.915
159 HB3 CYS 25 HB1 CYS 25 2.634 -6.512 4.502
160 H PHE 26 HN PHE 26 0.513 -4.481 2.156
161 HA PHE 26 HA PHE 26 -1.787 -3.971 3.766
162 HB2 PHE 26 HB2 PHE 26 -1.477 -4.474 0.805
163 HB3 PHE 26 HB1 PHE 26 -3.004 -4.057 1.572
164 HD1 PHE 26 HD1 PHE 26 0.252 -2.843 0.505
165 HD2 PHE 26 HD2 PHE 26 -3.356 -1.818 2.499
166 HE1 PHE 26 HE1 PHE 26 0.834 -0.468 0.332
167 HE2 PHE 26 HE2 PHE 26 -2.775 0.564 2.325
168 HZ PHE 26 HZ PHE 26 -0.676 1.237 1.245
169 HA PRO 27 HA PRO 27 -2.456 -8.344 4.252
170 HB2 PRO 27 HB2 PRO 27 -3.920 -8.220 6.473
171 HB3 PRO 27 HB1 PRO 27 -2.190 -7.867 6.506
172 HG2 PRO 27 HG2 PRO 27 -4.506 -5.996 6.552
173 HG3 PRO 27 HG1 PRO 27 -2.971 -5.896 7.428
174 HD2 PRO 27 HD2 PRO 27 -3.577 -4.528 5.086
175 HD3 PRO 27 HD1 PRO 27 -1.945 -4.824 5.712
176 H ASP 28 HN ASP 28 -4.745 -5.864 3.625
177 HA ASP 28 HA ASP 28 -6.817 -7.908 3.222
178 HB2 ASP 28 HB2 ASP 28 -7.389 -6.043 4.806
179 HB3 ASP 28 HB1 ASP 28 -7.259 -4.925 3.457
Start of MODEL 10
1 H1 GLY 1 HN GLY 1 -6.527 -7.361 -1.189
2 HA2 GLY 1 HA2 GLY 1 -5.113 -4.859 -1.037
3 HA3 GLY 1 HA1 GLY 1 -5.640 -5.682 -2.498
4 H PHE 2 HN PHE 2 -5.982 -3.167 -2.648
5 HA PHE 2 HA PHE 2 -8.804 -2.722 -2.546
6 HB2 PHE 2 HB2 PHE 2 -8.651 -0.630 -1.223
7 HB3 PHE 2 HB1 PHE 2 -8.185 -2.019 -0.255
8 HD1 PHE 2 HD1 PHE 2 -7.224 1.202 -1.504
9 HD2 PHE 2 HD2 PHE 2 -5.694 -2.422 0.131
10 HE1 PHE 2 HE1 PHE 2 -5.130 2.343 -0.927
11 HE2 PHE 2 HE2 PHE 2 -3.600 -1.276 0.706
12 HZ PHE 2 HZ PHE 2 -3.316 1.106 0.177
13 H CYS 3 HN CYS 3 -9.150 -0.391 -3.533
14 HA CYS 3 HA CYS 3 -6.894 0.341 -5.171
15 HB2 CYS 3 HB2 CYS 3 -8.117 -1.390 -6.473
16 HB3 CYS 3 HB1 CYS 3 -9.559 -0.383 -6.400
17 H TRP 4 HN TRP 4 -6.694 2.443 -5.061
18 HA TRP 4 HA TRP 4 -8.957 4.151 -5.410
19 HB2 TRP 4 HB2 TRP 4 -8.881 5.307 -3.324
20 HB3 TRP 4 HB1 TRP 4 -8.802 3.595 -2.935
21 HD1 TRP 4 HD1 TRP 4 -5.557 3.297 -3.252
22 HE1 TRP 4 HE1 TRP 4 -4.067 4.354 -1.434
23 HE3 TRP 4 3HE TRP 4 -8.897 6.616 -1.281
24 HZ2 TRP 4 HZ2 TRP 4 -4.292 6.302 0.574
25 HZ3 TRP 4 HZ3 TRP 4 -8.178 8.036 0.589
26 HH2 TRP 4 2HH TRP 4 -5.924 7.876 1.498
27 H HIS 5 HN HIS 5 -8.196 6.367 -5.860
28 HA HIS 5 HA HIS 5 -6.780 7.825 -6.943
29 HB2 HIS 5 HB2 HIS 5 -4.698 6.319 -5.317
30 HB3 HIS 5 HB1 HIS 5 -4.291 7.683 -6.336
31 HD1 HIS 5 HD1 HIS 5 -3.810 9.587 -4.811
32 HD2 HIS 5 HD2 HIS 5 -7.050 7.350 -3.510
33 HE1 HIS 5 HE1 HIS 5 -4.641 10.706 -2.709
34 H HIS 6 HN HIS 6 -7.515 5.252 -8.065
35 HA HIS 6 HA HIS 6 -7.211 3.920 -9.849
36 HB2 HIS 6 HB2 HIS 6 -5.014 5.873 -10.617
37 HB3 HIS 6 HB1 HIS 6 -5.567 4.564 -11.649
38 HD1 HIS 6 HD1 HIS 6 -7.553 5.095 -13.159
39 HD2 HIS 6 HD2 HIS 6 -7.005 7.891 -10.128
40 HE1 HIS 6 HE1 HIS 6 -9.158 6.980 -13.645
41 H SER 7 HN SER 7 -5.362 3.845 -7.306
42 HA SER 7 HA SER 7 -3.290 2.115 -8.402
43 HB2 SER 7 HB2 SER 7 -3.568 3.302 -5.623
44 HB3 SER 7 HB1 SER 7 -2.159 2.459 -6.269
45 HG SER 7 HG SER 7 -2.921 4.481 -7.885
46 H CYS 8 HN CYS 8 -4.286 0.165 -8.662
47 HA CYS 8 HA CYS 8 -5.900 -0.887 -6.487
48 HB2 CYS 8 HB2 CYS 8 -5.277 -2.108 -9.186
49 HB3 CYS 8 HB1 CYS 8 -6.376 -2.774 -7.996
50 H VAL 9 HN VAL 9 -4.627 -1.501 -4.896
51 HA VAL 9 HA VAL 9 -2.117 -2.852 -5.342
52 HB VAL 9 HB VAL 9 -3.655 -2.407 -2.758
53 HG11 VAL 9 HG11 VAL 9 -1.490 -2.742 -1.655
54 HG12 VAL 9 HG12 VAL 9 -0.757 -3.103 -3.218
55 HG13 VAL 9 3HG1 VAL 9 -1.999 -4.168 -2.559
56 HG21 VAL 9 HG21 VAL 9 -2.150 -0.496 -2.372
57 HG22 VAL 9 HG22 VAL 9 -3.152 -0.267 -3.805
58 HG23 VAL 9 HG23 VAL 9 -1.460 -0.732 -3.978
59 HA PRO 10 HA PRO 10 -4.466 -6.693 -5.668
60 HB2 PRO 10 HB2 PRO 10 -1.779 -7.910 -5.618
61 HB3 PRO 10 HB1 PRO 10 -3.051 -8.072 -6.833
62 HG2 PRO 10 HG2 PRO 10 -0.870 -6.636 -7.336
63 HG3 PRO 10 HG1 PRO 10 -2.461 -6.093 -7.896
64 HD2 PRO 10 HD2 PRO 10 -0.871 -5.157 -5.533
65 HD3 PRO 10 HD1 PRO 10 -1.796 -4.219 -6.730
66 H SER 11 HN SER 11 -4.955 -8.422 -4.345
67 HA SER 11 HA SER 11 -4.427 -8.056 -1.594
68 HB2 SER 11 HB2 SER 11 -5.772 -10.348 -3.039
69 HB3 SER 11 HB1 SER 11 -5.853 -10.024 -1.306
70 HG SER 11 HG SER 11 -7.653 -9.208 -2.407
71 H GLY 12 HN GLY 12 -2.425 -8.442 -0.845
72 HA2 GLY 12 HA2 GLY 12 -1.197 -10.423 -0.017
73 HA3 GLY 12 HA1 GLY 12 -1.077 -10.878 -1.719
74 H THR 13 HN THR 13 -1.060 -7.832 -2.186
75 HA THR 13 HA THR 13 1.774 -7.743 -2.358
76 HB THR 13 HB THR 13 -0.311 -5.750 -3.253
77 HG1 THR 13 HG1 THR 13 0.687 -8.113 -4.153
78 HG21 THR 13 HG21 THR 13 1.482 -4.883 -4.704
79 HG22 THR 13 HG22 THR 13 2.611 -6.051 -4.020
80 HG23 THR 13 HG23 THR 13 1.958 -4.762 -3.010
81 H CYS 14 HN CYS 14 2.961 -7.065 -0.934
82 HA CYS 14 HA CYS 14 2.177 -5.028 1.006
83 HB2 CYS 14 HB2 CYS 14 3.214 -7.139 1.848
84 HB3 CYS 14 HB1 CYS 14 4.637 -6.806 0.872
85 H ALA 15 HN ALA 15 3.179 -3.039 0.971
86 HA ALA 15 HA ALA 15 5.151 -2.696 -1.156
87 HB1 ALA 15 HB1 ALA 15 2.862 -0.822 -0.592
88 HB2 ALA 15 HB2 ALA 15 2.990 -1.916 -1.971
89 HB3 ALA 15 HB3 ALA 15 4.135 -0.586 -1.788
90 H ASP 16 HN ASP 16 6.762 -1.284 -0.758
91 HA ASP 16 HA ASP 16 7.031 -0.438 1.991
92 HB2 ASP 16 HB2 ASP 16 9.399 0.009 1.448
93 HB3 ASP 16 HB1 ASP 16 8.949 -1.623 0.994
94 H PHE 17 HN PHE 17 5.987 1.331 2.396
95 HA PHE 17 HA PHE 17 5.819 3.419 0.416
96 HB2 PHE 17 HB2 PHE 17 4.555 3.078 3.136
97 HB3 PHE 17 HB1 PHE 17 4.347 4.519 2.146
98 HD1 PHE 17 HD1 PHE 17 2.833 4.535 0.320
99 HD2 PHE 17 HD2 PHE 17 3.650 0.911 2.381
100 HE1 PHE 17 HE1 PHE 17 0.936 3.465 -0.812
101 HE2 PHE 17 HE2 PHE 17 1.761 -0.160 1.246
102 HZ PHE 17 HZ PHE 17 0.395 1.122 -0.357
103 HA PRO 18 HA PRO 18 9.439 5.276 2.217
104 HB2 PRO 18 HB2 PRO 18 8.669 7.596 0.552
105 HB3 PRO 18 HB1 PRO 18 10.179 6.689 0.564
106 HG2 PRO 18 HG2 PRO 18 8.434 6.442 -1.452
107 HG3 PRO 18 HG1 PRO 18 9.376 5.060 -0.866
108 HD2 PRO 18 HD2 PRO 18 6.514 5.759 -0.335
109 HD3 PRO 18 HD1 PRO 18 7.269 4.178 -0.652
110 H TRP 19 HN TRP 19 9.727 6.645 3.865
111 HA TRP 19 HA TRP 19 8.855 8.997 4.257
112 HB2 TRP 19 HB2 TRP 19 6.521 8.687 4.536
113 HB3 TRP 19 HB1 TRP 19 6.772 7.333 5.627
114 HD1 TRP 19 HD1 TRP 19 7.958 8.114 7.902
115 HE1 TRP 19 HE1 TRP 19 7.222 10.065 9.532
116 HE3 TRP 19 3HE TRP 19 5.379 10.837 4.576
117 HZ2 TRP 19 HZ2 TRP 19 5.665 12.455 9.280
118 HZ3 TRP 19 HZ3 TRP 19 4.279 12.923 5.279
119 HH2 TRP 19 2HH TRP 19 4.422 13.707 7.586
120 HA PRO 20 HA PRO 20 9.309 5.808 5.205
121 HB2 PRO 20 HB2 PRO 20 9.905 3.900 7.053
122 HB3 PRO 20 HB1 PRO 20 11.072 4.554 5.902
123 HG2 PRO 20 HG2 PRO 20 10.799 5.081 8.793
124 HG3 PRO 20 HG1 PRO 20 12.214 5.261 7.748
125 HD2 PRO 20 HD2 PRO 20 10.441 7.318 8.666
126 HD3 PRO 20 HD1 PRO 20 11.806 7.490 7.551
127 H LEU 21 HN LEU 21 7.107 5.696 4.948
128 HA LEU 21 HA LEU 21 5.401 5.337 7.219
129 HB2 LEU 21 HB2 LEU 21 4.976 4.804 4.270
130 HB3 LEU 21 HB1 LEU 21 3.719 4.570 5.465
131 HG LEU 21 HG LEU 21 5.003 7.208 4.727
132 HD11 LEU 21 HD11 LEU 21 3.554 6.352 2.988
133 HD12 LEU 21 HD12 LEU 21 2.830 7.741 3.797
134 HD13 LEU 21 HD13 LEU 21 2.265 6.112 4.167
135 HD21 LEU 21 HD21 LEU 21 4.348 7.147 7.083
136 HD22 LEU 21 HD22 LEU 21 2.737 6.595 6.624
137 HD23 LEU 21 HD23 LEU 21 3.289 8.200 6.150
138 H GLY 22 HN GLY 22 7.363 3.526 5.293
139 HA2 GLY 22 HA2 GLY 22 8.363 1.475 5.965
140 HA3 GLY 22 HA1 GLY 22 7.060 1.260 7.118
141 H HIS 23 HN HIS 23 7.397 -0.921 6.249
142 HA HIS 23 HA HIS 23 6.369 -1.503 3.610
143 HB2 HIS 23 HB2 HIS 23 7.209 -3.356 5.855
144 HB3 HIS 23 HB1 HIS 23 6.835 -3.846 4.209
145 HD1 HIS 23 HD1 HIS 23 9.544 -2.270 6.287
146 HD2 HIS 23 HD2 HIS 23 8.824 -3.312 2.331
147 HE1 HIS 23 HE1 HIS 23 11.761 -2.134 5.123
148 H GLN 24 HN GLN 24 4.249 -1.275 3.423
149 HA GLN 24 HA GLN 24 2.555 -2.241 5.607
150 HB2 GLN 24 HB2 GLN 24 1.838 -0.513 3.233
151 HB3 GLN 24 HB1 GLN 24 0.720 -1.017 4.492
152 HG2 GLN 24 HG2 GLN 24 3.136 0.747 4.866
153 HG3 GLN 24 HG1 GLN 24 1.448 1.258 4.828
154 HE21 GLN 24 1HE2 GLN 24 3.511 1.488 6.939
155 HE22 GLN 24 2HE2 GLN 24 2.784 0.785 8.327
156 H CYS 25 HN CYS 25 1.845 -4.185 5.409
157 HA CYS 25 HA CYS 25 1.865 -5.405 2.773
158 HB2 CYS 25 HB2 CYS 25 1.879 -6.687 5.503
159 HB3 CYS 25 HB1 CYS 25 1.922 -7.542 3.966
160 H PHE 26 HN PHE 26 -0.028 -5.686 1.753
161 HA PHE 26 HA PHE 26 -2.432 -5.706 3.421
162 HB2 PHE 26 HB2 PHE 26 -2.205 -5.009 0.493
163 HB3 PHE 26 HB1 PHE 26 -3.626 -4.843 1.510
164 HD1 PHE 26 HD1 PHE 26 -0.696 -3.301 0.253
165 HD2 PHE 26 HD2 PHE 26 -3.501 -3.167 3.443
166 HE1 PHE 26 HE1 PHE 26 -0.020 -0.999 0.737
167 HE2 PHE 26 HE2 PHE 26 -2.821 -0.850 3.939
168 HZ PHE 26 HZ PHE 26 -1.076 0.232 2.582
169 HA PRO 27 HA PRO 27 -2.602 -10.027 1.784
170 HB2 PRO 27 HB2 PRO 27 -4.637 -10.141 3.943
171 HB3 PRO 27 HB1 PRO 27 -3.289 -11.237 3.628
172 HG2 PRO 27 HG2 PRO 27 -3.213 -9.558 5.690
173 HG3 PRO 27 HG1 PRO 27 -1.758 -9.886 4.730
174 HD2 PRO 27 HD2 PRO 27 -3.585 -7.519 4.649
175 HD3 PRO 27 HD1 PRO 27 -1.813 -7.574 4.578
176 H ASP 28 HN ASP 28 -4.966 -7.626 2.608
177 HA ASP 28 HA ASP 28 -6.722 -8.566 0.466
178 HB2 ASP 28 HB2 ASP 28 -7.930 -8.636 2.596
179 HB3 ASP 28 HB1 ASP 28 -7.426 -6.991 2.968
Start of MODEL 11
1 H1 GLY 1 HN GLY 1 -6.318 -7.992 -1.152
2 HA2 GLY 1 HA2 GLY 1 -5.376 -5.321 -1.431
3 HA3 GLY 1 HA1 GLY 1 -5.753 -6.447 -2.720
4 H PHE 2 HN PHE 2 -6.301 -3.675 -2.593
5 HA PHE 2 HA PHE 2 -9.196 -3.690 -2.976
6 HB2 PHE 2 HB2 PHE 2 -7.819 -1.690 -1.153
7 HB3 PHE 2 HB1 PHE 2 -9.475 -1.572 -1.707
8 HD1 PHE 2 HD1 PHE 2 -7.252 -2.874 0.777
9 HD2 PHE 2 HD2 PHE 2 -11.111 -3.359 -0.948
10 HE1 PHE 2 HE1 PHE 2 -7.984 -4.097 2.771
11 HE2 PHE 2 HE2 PHE 2 -11.845 -4.592 1.051
12 HZ PHE 2 HZ PHE 2 -10.284 -4.959 2.913
13 H CYS 3 HN CYS 3 -9.833 -2.177 -4.482
14 HA CYS 3 HA CYS 3 -7.696 -0.663 -5.764
15 HB2 CYS 3 HB2 CYS 3 -10.529 -1.240 -6.682
16 HB3 CYS 3 HB1 CYS 3 -9.350 -0.288 -7.579
17 H TRP 4 HN TRP 4 -7.341 1.070 -4.631
18 HA TRP 4 HA TRP 4 -9.378 3.056 -4.427
19 HB2 TRP 4 HB2 TRP 4 -9.439 3.247 -2.024
20 HB3 TRP 4 HB1 TRP 4 -9.755 1.576 -2.465
21 HD1 TRP 4 HD1 TRP 4 -6.506 0.813 -2.708
22 HE1 TRP 4 HE1 TRP 4 -5.214 0.487 -0.508
23 HE3 TRP 4 3HE TRP 4 -9.686 3.248 0.465
24 HZ2 TRP 4 HZ2 TRP 4 -5.514 1.173 2.225
25 HZ3 TRP 4 HZ3 TRP 4 -9.111 3.362 2.852
26 HH2 TRP 4 2HH TRP 4 -7.070 2.342 3.703
27 H HIS 5 HN HIS 5 -8.358 5.081 -3.465
28 HA HIS 5 HA HIS 5 -6.739 6.668 -3.588
29 HB2 HIS 5 HB2 HIS 5 -5.008 4.283 -2.884
30 HB3 HIS 5 HB1 HIS 5 -4.332 5.889 -3.035
31 HD1 HIS 5 HD1 HIS 5 -3.847 6.637 -0.657
32 HD2 HIS 5 HD2 HIS 5 -7.499 4.690 -0.984
33 HE1 HIS 5 HE1 HIS 5 -4.840 6.623 1.646
34 H HIS 6 HN HIS 6 -7.567 5.153 -5.948
35 HA HIS 6 HA HIS 6 -7.230 5.062 -8.157
36 HB2 HIS 6 HB2 HIS 6 -6.522 7.416 -7.911
37 HB3 HIS 6 HB1 HIS 6 -4.882 6.908 -7.569
38 HD1 HIS 6 HD1 HIS 6 -3.464 7.500 -9.537
39 HD2 HIS 6 HD2 HIS 6 -7.226 6.187 -10.701
40 HE1 HIS 6 HE1 HIS 6 -3.447 7.516 -12.043
41 H SER 7 HN SER 7 -6.035 3.114 -6.307
42 HA SER 7 HA SER 7 -4.314 1.852 -8.262
43 HB2 SER 7 HB2 SER 7 -2.626 1.339 -6.413
44 HB3 SER 7 HB1 SER 7 -2.613 2.968 -7.092
45 HG SER 7 HG SER 7 -4.342 2.761 -5.002
46 H CYS 8 HN CYS 8 -4.392 -0.361 -8.219
47 HA CYS 8 HA CYS 8 -6.097 -1.562 -6.185
48 HB2 CYS 8 HB2 CYS 8 -5.056 -2.687 -8.796
49 HB3 CYS 8 HB1 CYS 8 -6.049 -3.576 -7.649
50 H VAL 9 HN VAL 9 -4.907 -1.738 -4.478
51 HA VAL 9 HA VAL 9 -2.226 -2.631 -4.671
52 HB VAL 9 HB VAL 9 -2.220 -2.573 -2.162
53 HG11 VAL 9 HG11 VAL 9 -3.353 -0.120 -3.503
54 HG12 VAL 9 HG12 VAL 9 -1.651 -0.577 -3.424
55 HG13 VAL 9 3HG1 VAL 9 -2.517 -0.143 -1.950
56 HG21 VAL 9 HG21 VAL 9 -4.175 -1.660 -0.976
57 HG22 VAL 9 HG22 VAL 9 -4.553 -3.197 -1.752
58 HG23 VAL 9 HG23 VAL 9 -5.097 -1.686 -2.481
59 HA PRO 10 HA PRO 10 -3.438 -6.896 -4.529
60 HB2 PRO 10 HB2 PRO 10 -0.748 -7.759 -4.084
61 HB3 PRO 10 HB1 PRO 10 -1.628 -7.690 -5.608
62 HG2 PRO 10 HG2 PRO 10 0.529 -6.088 -5.003
63 HG3 PRO 10 HG1 PRO 10 -0.726 -5.660 -6.176
64 HD2 PRO 10 HD2 PRO 10 -0.425 -4.803 -3.324
65 HD3 PRO 10 HD1 PRO 10 -0.864 -3.858 -4.761
66 H SER 11 HN SER 11 -3.557 -8.776 -3.272
67 HA SER 11 HA SER 11 -3.719 -8.323 -0.448
68 HB2 SER 11 HB2 SER 11 -4.185 -10.869 -2.001
69 HB3 SER 11 HB1 SER 11 -4.788 -10.470 -0.393
70 HG SER 11 HG SER 11 -5.973 -10.031 -2.673
71 H GLY 12 HN GLY 12 -1.737 -8.336 0.654
72 HA2 GLY 12 HA2 GLY 12 -0.394 -9.877 1.880
73 HA3 GLY 12 HA1 GLY 12 -0.208 -10.820 0.401
74 H THR 13 HN THR 13 -0.194 -7.788 -0.627
75 HA THR 13 HA THR 13 2.659 -7.839 -0.831
76 HB THR 13 HB THR 13 0.611 -6.058 -2.144
77 HG1 THR 13 HG1 THR 13 1.404 -8.587 -2.567
78 HG21 THR 13 HG21 THR 13 2.433 -5.443 -3.688
79 HG22 THR 13 HG22 THR 13 3.555 -6.439 -2.767
80 HG23 THR 13 HG23 THR 13 2.852 -4.998 -2.033
81 H CYS 14 HN CYS 14 3.709 -7.012 0.661
82 HA CYS 14 HA CYS 14 2.953 -4.541 2.008
83 HB2 CYS 14 HB2 CYS 14 5.287 -6.415 2.419
84 HB3 CYS 14 HB1 CYS 14 5.066 -4.912 3.306
85 H ALA 15 HN ALA 15 3.296 -2.837 0.817
86 HA ALA 15 HA ALA 15 5.642 -2.725 -0.902
87 HB1 ALA 15 HB1 ALA 15 3.498 -2.103 -1.901
88 HB2 ALA 15 HB2 ALA 15 4.580 -0.711 -1.845
89 HB3 ALA 15 HB3 ALA 15 3.273 -0.863 -0.670
90 H ASP 16 HN ASP 16 7.388 -1.581 -0.332
91 HA ASP 16 HA ASP 16 7.306 -0.154 2.181
92 HB2 ASP 16 HB2 ASP 16 9.735 -0.085 2.001
93 HB3 ASP 16 HB1 ASP 16 9.151 -1.733 1.807
94 H PHE 17 HN PHE 17 7.404 1.955 2.370
95 HA PHE 17 HA PHE 17 8.056 3.502 -0.007
96 HB2 PHE 17 HB2 PHE 17 5.871 4.041 1.987
97 HB3 PHE 17 HB1 PHE 17 6.393 5.208 0.777
98 HD1 PHE 17 HD1 PHE 17 4.458 2.254 1.497
99 HD2 PHE 17 HD2 PHE 17 5.909 4.755 -1.610
100 HE1 PHE 17 HE1 PHE 17 2.799 1.296 -0.042
101 HE2 PHE 17 HE2 PHE 17 4.259 3.797 -3.158
102 HZ PHE 17 HZ PHE 17 2.693 2.051 -2.353
103 HA PRO 18 HA PRO 18 10.958 4.881 3.336
104 HB2 PRO 18 HB2 PRO 18 12.510 5.509 0.891
105 HB3 PRO 18 HB1 PRO 18 13.016 4.617 2.330
106 HG2 PRO 18 HG2 PRO 18 12.601 3.323 0.069
107 HG3 PRO 18 HG1 PRO 18 12.009 2.636 1.594
108 HD2 PRO 18 HD2 PRO 18 10.494 4.178 -0.486
109 HD3 PRO 18 HD1 PRO 18 10.065 2.640 0.299
110 H TRP 19 HN TRP 19 8.804 6.281 2.085
111 HA TRP 19 HA TRP 19 9.355 8.563 0.859
112 HB2 TRP 19 HB2 TRP 19 7.181 7.792 0.720
113 HB3 TRP 19 HB1 TRP 19 7.013 7.795 2.468
114 HD1 TRP 19 HD1 TRP 19 7.121 10.290 3.482
115 HE1 TRP 19 HE1 TRP 19 5.754 12.455 2.697
116 HE3 TRP 19 3HE TRP 19 6.123 8.847 -1.227
117 HZ2 TRP 19 HZ2 TRP 19 4.458 13.285 0.333
118 HZ3 TRP 19 HZ3 TRP 19 4.824 10.317 -2.714
119 HH2 TRP 19 2HH TRP 19 4.012 12.490 -1.949
120 HA PRO 20 HA PRO 20 9.425 7.320 3.991
121 HB2 PRO 20 HB2 PRO 20 9.550 7.662 6.771
122 HB3 PRO 20 HB1 PRO 20 10.909 7.307 5.696
123 HG2 PRO 20 HG2 PRO 20 10.394 9.739 7.105
124 HG3 PRO 20 HG1 PRO 20 11.685 9.428 5.935
125 HD2 PRO 20 HD2 PRO 20 9.055 10.764 5.538
126 HD3 PRO 20 HD1 PRO 20 10.586 10.999 4.665
127 H LEU 21 HN LEU 21 7.554 6.552 3.700
128 HA LEU 21 HA LEU 21 5.286 7.267 5.476
129 HB2 LEU 21 HB2 LEU 21 5.336 5.680 2.911
130 HB3 LEU 21 HB1 LEU 21 3.932 5.734 3.947
131 HG LEU 21 HG LEU 21 5.132 8.076 2.447
132 HD11 LEU 21 HD11 LEU 21 3.117 7.932 1.112
133 HD12 LEU 21 HD12 LEU 21 2.618 6.495 2.004
134 HD13 LEU 21 HD13 LEU 21 4.068 6.452 1.003
135 HD21 LEU 21 HD21 LEU 21 3.142 9.283 3.167
136 HD22 LEU 21 HD22 LEU 21 4.085 8.769 4.563
137 HD23 LEU 21 HD23 LEU 21 2.623 7.888 4.110
138 H GLY 22 HN GLY 22 7.370 4.691 4.479
139 HA2 GLY 22 HA2 GLY 22 8.062 3.014 6.077
140 HA3 GLY 22 HA1 GLY 22 6.491 3.162 6.846
141 H HIS 23 HN HIS 23 6.397 0.843 6.706
142 HA HIS 23 HA HIS 23 6.114 -0.309 4.054
143 HB2 HIS 23 HB2 HIS 23 6.055 -1.560 6.809
144 HB3 HIS 23 HB1 HIS 23 5.726 -2.457 5.337
145 HD1 HIS 23 HD1 HIS 23 8.407 -1.849 7.610
146 HD2 HIS 23 HD2 HIS 23 8.069 -2.167 3.481
147 HE1 HIS 23 HE1 HIS 23 10.705 -2.413 6.770
148 H GLN 24 HN GLN 24 4.250 -0.543 3.092
149 HA GLN 24 HA GLN 24 1.810 -0.293 4.682
150 HB2 GLN 24 HB2 GLN 24 2.321 0.133 1.751
151 HB3 GLN 24 HB1 GLN 24 0.730 0.216 2.473
152 HG2 GLN 24 HG2 GLN 24 3.065 2.034 3.032
153 HG3 GLN 24 HG1 GLN 24 1.590 2.381 2.120
154 HE21 GLN 24 1HE2 GLN 24 -0.279 2.751 3.198
155 HE22 GLN 24 2HE2 GLN 24 -0.374 3.047 4.891
156 H CYS 25 HN CYS 25 1.195 -2.206 5.208
157 HA CYS 25 HA CYS 25 1.405 -4.401 3.279
158 HB2 CYS 25 HB2 CYS 25 1.095 -4.465 6.275
159 HB3 CYS 25 HB1 CYS 25 0.946 -5.884 5.249
160 H PHE 26 HN PHE 26 -0.286 -4.928 2.214
161 HA PHE 26 HA PHE 26 -2.911 -4.369 3.374
162 HB2 PHE 26 HB2 PHE 26 -2.216 -4.934 0.474
163 HB3 PHE 26 HB1 PHE 26 -3.760 -4.396 1.108
164 HD1 PHE 26 HD1 PHE 26 -0.422 -3.378 0.114
165 HD2 PHE 26 HD2 PHE 26 -4.060 -2.100 1.922
166 HE1 PHE 26 HE1 PHE 26 0.250 -1.037 -0.198
167 HE2 PHE 26 HE2 PHE 26 -3.389 0.245 1.605
168 HZ PHE 26 HZ PHE 26 -1.230 0.771 0.543
169 HA PRO 27 HA PRO 27 -2.710 -8.876 3.766
170 HB2 PRO 27 HB2 PRO 27 -4.993 -9.127 5.243
171 HB3 PRO 27 HB1 PRO 27 -3.441 -8.675 5.949
172 HG2 PRO 27 HG2 PRO 27 -5.764 -6.953 5.204
173 HG3 PRO 27 HG1 PRO 27 -4.698 -6.845 6.614
174 HD2 PRO 27 HD2 PRO 27 -4.474 -5.234 4.436
175 HD3 PRO 27 HD1 PRO 27 -3.089 -5.674 5.456
176 H ASP 28 HN ASP 28 -5.270 -6.879 2.627
177 HA ASP 28 HA ASP 28 -6.157 -8.910 0.775
178 HB2 ASP 28 HB2 ASP 28 -7.712 -8.947 2.742
179 HB3 ASP 28 HB1 ASP 28 -7.994 -7.229 2.516
Start of MODEL 12
1 H1 GLY 1 HN GLY 1 -6.717 -6.972 0.362
2 HA2 GLY 1 HA2 GLY 1 -5.722 -4.494 -0.670
3 HA3 GLY 1 HA1 GLY 1 -5.954 -5.987 -1.568
4 H PHE 2 HN PHE 2 -6.549 -3.702 -2.799
5 HA PHE 2 HA PHE 2 -9.250 -3.911 -3.468
6 HB2 PHE 2 HB2 PHE 2 -9.991 -1.632 -2.739
7 HB3 PHE 2 HB1 PHE 2 -9.698 -2.714 -1.389
8 HD1 PHE 2 HD1 PHE 2 -8.938 0.442 -2.873
9 HD2 PHE 2 HD2 PHE 2 -7.491 -2.461 -0.125
10 HE1 PHE 2 HE1 PHE 2 -7.457 2.122 -1.858
11 HE2 PHE 2 HE2 PHE 2 -6.010 -0.783 0.878
12 HZ PHE 2 HZ PHE 2 -5.999 1.516 0.008
13 H CYS 3 HN CYS 3 -9.763 -1.776 -4.883
14 HA CYS 3 HA CYS 3 -7.357 -1.386 -6.503
15 HB2 CYS 3 HB2 CYS 3 -10.269 -1.300 -7.327
16 HB3 CYS 3 HB1 CYS 3 -8.900 -1.007 -8.393
17 H TRP 4 HN TRP 4 -6.514 0.573 -6.576
18 HA TRP 4 HA TRP 4 -8.155 2.923 -6.369
19 HB2 TRP 4 HB2 TRP 4 -7.168 3.803 -4.368
20 HB3 TRP 4 HB1 TRP 4 -7.690 2.157 -4.036
21 HD1 TRP 4 HD1 TRP 4 -4.928 0.735 -5.228
22 HE1 TRP 4 HE1 TRP 4 -2.798 0.878 -3.784
23 HE3 TRP 4 3HE TRP 4 -6.249 4.643 -2.211
24 HZ2 TRP 4 HZ2 TRP 4 -1.822 2.441 -1.657
25 HZ3 TRP 4 HZ3 TRP 4 -4.662 5.382 -0.487
26 HH2 TRP 4 2HH TRP 4 -2.505 4.296 -0.220
27 H HIS 5 HN HIS 5 -6.853 4.816 -6.929
28 HA HIS 5 HA HIS 5 -5.269 5.921 -8.163
29 HB2 HIS 5 HB2 HIS 5 -3.510 3.736 -7.037
30 HB3 HIS 5 HB1 HIS 5 -2.873 5.034 -8.020
31 HD1 HIS 5 HD1 HIS 5 -1.534 6.351 -6.366
32 HD2 HIS 5 HD2 HIS 5 -5.261 5.314 -4.881
33 HE1 HIS 5 HE1 HIS 5 -1.701 7.411 -4.081
34 H HIS 6 HN HIS 6 -6.819 3.637 -9.314
35 HA HIS 6 HA HIS 6 -7.105 2.528 -11.240
36 HB2 HIS 6 HB2 HIS 6 -6.146 4.569 -12.341
37 HB3 HIS 6 HB1 HIS 6 -4.544 3.877 -12.193
38 HD1 HIS 6 HD1 HIS 6 -3.749 2.820 -14.326
39 HD2 HIS 6 HD2 HIS 6 -7.891 2.785 -13.982
40 HE1 HIS 6 HE1 HIS 6 -4.613 1.820 -16.471
41 H SER 7 HN SER 7 -5.139 1.632 -8.962
42 HA SER 7 HA SER 7 -4.068 -0.653 -10.452
43 HB2 SER 7 HB2 SER 7 -2.760 0.813 -8.148
44 HB3 SER 7 HB1 SER 7 -2.122 -0.624 -8.949
45 HG SER 7 HG SER 7 -2.190 0.674 -10.926
46 H CYS 8 HN CYS 8 -4.483 -2.621 -9.559
47 HA CYS 8 HA CYS 8 -6.025 -2.610 -7.095
48 HB2 CYS 8 HB2 CYS 8 -5.712 -4.755 -9.197
49 HB3 CYS 8 HB1 CYS 8 -6.690 -4.908 -7.742
50 H VAL 9 HN VAL 9 -5.046 -2.984 -5.313
51 HA VAL 9 HA VAL 9 -2.561 -4.502 -5.328
52 HB VAL 9 HB VAL 9 -2.535 -2.208 -4.331
53 HG11 VAL 9 HG11 VAL 9 -4.757 -2.015 -3.473
54 HG12 VAL 9 HG12 VAL 9 -3.592 -1.734 -2.178
55 HG13 VAL 9 3HG1 VAL 9 -4.444 -3.275 -2.281
56 HG21 VAL 9 HG21 VAL 9 -2.037 -4.404 -2.333
57 HG22 VAL 9 HG22 VAL 9 -1.418 -2.758 -2.209
58 HG23 VAL 9 HG23 VAL 9 -0.900 -3.796 -3.537
59 HA PRO 10 HA PRO 10 -5.043 -7.727 -3.445
60 HB2 PRO 10 HB2 PRO 10 -3.186 -9.624 -3.231
61 HB3 PRO 10 HB1 PRO 10 -3.771 -9.093 -4.814
62 HG2 PRO 10 HG2 PRO 10 -1.234 -8.377 -3.402
63 HG3 PRO 10 HG1 PRO 10 -1.502 -8.733 -5.118
64 HD2 PRO 10 HD2 PRO 10 -1.321 -6.184 -4.036
65 HD3 PRO 10 HD1 PRO 10 -2.089 -6.583 -5.581
66 H SER 11 HN SER 11 -4.752 -9.321 -1.532
67 HA SER 11 HA SER 11 -3.892 -7.798 0.788
68 HB2 SER 11 HB2 SER 11 -5.352 -10.447 0.615
69 HB3 SER 11 HB1 SER 11 -5.195 -9.414 2.037
70 HG SER 11 HG SER 11 -6.866 -9.248 -0.117
71 H GLY 12 HN GLY 12 -2.065 -8.358 1.973
72 HA2 GLY 12 HA2 GLY 12 -0.813 -10.181 2.966
73 HA3 GLY 12 HA1 GLY 12 -0.894 -10.995 1.405
74 H THR 13 HN THR 13 -0.591 -8.016 0.486
75 HA THR 13 HA THR 13 2.271 -8.272 0.337
76 HB THR 13 HB THR 13 1.148 -8.050 -1.820
77 HG1 THR 13 HG1 THR 13 3.166 -7.086 -1.704
78 HG21 THR 13 HG21 THR 13 -0.002 -5.970 -2.458
79 HG22 THR 13 HG22 THR 13 0.128 -5.406 -0.793
80 HG23 THR 13 HG23 THR 13 -0.844 -6.829 -1.170
81 H CYS 14 HN CYS 14 3.417 -7.215 1.639
82 HA CYS 14 HA CYS 14 2.533 -4.581 2.587
83 HB2 CYS 14 HB2 CYS 14 2.645 -6.283 4.414
84 HB3 CYS 14 HB1 CYS 14 4.352 -6.512 4.053
85 H ALA 15 HN ALA 15 3.663 -2.979 1.772
86 HA ALA 15 HA ALA 15 6.354 -3.603 0.786
87 HB1 ALA 15 HB1 ALA 15 4.778 -3.285 -1.055
88 HB2 ALA 15 HB2 ALA 15 5.978 -1.992 -1.015
89 HB3 ALA 15 HB3 ALA 15 4.348 -1.699 -0.417
90 H ASP 16 HN ASP 16 7.763 -1.721 0.633
91 HA ASP 16 HA ASP 16 7.412 -0.063 2.989
92 HB2 ASP 16 HB2 ASP 16 9.837 0.379 2.841
93 HB3 ASP 16 HB1 ASP 16 9.493 -1.341 2.935
94 H PHE 17 HN PHE 17 6.872 1.899 2.829
95 HA PHE 17 HA PHE 17 7.368 3.416 0.364
96 HB2 PHE 17 HB2 PHE 17 5.026 3.660 2.295
97 HB3 PHE 17 HB1 PHE 17 5.303 4.710 0.917
98 HD1 PHE 17 HD1 PHE 17 4.356 1.317 1.971
99 HD2 PHE 17 HD2 PHE 17 4.623 4.040 -1.277
100 HE1 PHE 17 HE1 PHE 17 2.956 -0.177 0.610
101 HE2 PHE 17 HE2 PHE 17 3.238 2.550 -2.649
102 HZ PHE 17 HZ PHE 17 2.397 0.436 -1.706
103 HA PRO 18 HA PRO 18 10.106 4.779 3.610
104 HB2 PRO 18 HB2 PRO 18 11.134 6.970 2.192
105 HB3 PRO 18 HB1 PRO 18 11.794 5.335 2.243
106 HG2 PRO 18 HG2 PRO 18 10.084 6.622 0.183
107 HG3 PRO 18 HG1 PRO 18 11.339 5.392 -0.006
108 HD2 PRO 18 HD2 PRO 18 8.715 4.825 -0.159
109 HD3 PRO 18 HD1 PRO 18 9.886 3.657 0.480
110 H TRP 19 HN TRP 19 9.240 7.851 2.072
111 HA TRP 19 HA TRP 19 8.761 8.732 4.777
112 HB2 TRP 19 HB2 TRP 19 10.518 9.940 3.671
113 HB3 TRP 19 HB1 TRP 19 9.460 10.335 2.320
114 HD1 TRP 19 HD1 TRP 19 9.631 11.052 6.140
115 HE1 TRP 19 HE1 TRP 19 8.752 13.421 6.544
116 HE3 TRP 19 3HE TRP 19 8.303 12.234 1.349
117 HZ2 TRP 19 HZ2 TRP 19 7.630 15.533 5.027
118 HZ3 TRP 19 HZ3 TRP 19 7.332 14.447 0.911
119 HH2 TRP 19 2HH TRP 19 7.004 16.062 2.715
120 HA PRO 20 HA PRO 20 7.685 9.157 6.158
121 HB2 PRO 20 HB2 PRO 20 5.595 10.285 7.494
122 HB3 PRO 20 HB1 PRO 20 6.845 11.245 6.701
123 HG2 PRO 20 HG2 PRO 20 4.075 11.118 6.042
124 HG3 PRO 20 HG1 PRO 20 5.337 12.012 5.186
125 HD2 PRO 20 HD2 PRO 20 4.216 9.299 4.603
126 HD3 PRO 20 HD1 PRO 20 4.828 10.533 3.474
127 H LEU 21 HN LEU 21 6.375 6.959 4.862
128 HA LEU 21 HA LEU 21 4.190 6.205 6.665
129 HB2 LEU 21 HB2 LEU 21 4.994 5.030 4.017
130 HB3 LEU 21 HB1 LEU 21 3.631 4.499 4.978
131 HG LEU 21 HG LEU 21 3.926 7.220 3.699
132 HD11 LEU 21 HD11 LEU 21 3.555 5.425 2.084
133 HD12 LEU 21 HD12 LEU 21 2.166 6.495 2.210
134 HD13 LEU 21 HD13 LEU 21 2.128 4.911 2.986
135 HD21 LEU 21 HD21 LEU 21 1.578 7.529 4.362
136 HD22 LEU 21 HD22 LEU 21 2.636 7.352 5.758
137 HD23 LEU 21 HD23 LEU 21 1.634 5.997 5.232
138 H GLY 22 HN GLY 22 6.789 4.454 4.993
139 HA2 GLY 22 HA2 GLY 22 8.394 3.163 6.133
140 HA3 GLY 22 HA1 GLY 22 7.259 2.969 7.467
141 H HIS 23 HN HIS 23 6.598 0.941 7.559
142 HA HIS 23 HA HIS 23 6.376 -0.580 5.082
143 HB2 HIS 23 HB2 HIS 23 6.234 -1.503 7.963
144 HB3 HIS 23 HB1 HIS 23 6.121 -2.560 6.561
145 HD1 HIS 23 HD1 HIS 23 8.539 -1.504 8.973
146 HD2 HIS 23 HD2 HIS 23 8.583 -2.163 4.867
147 HE1 HIS 23 HE1 HIS 23 10.942 -1.819 8.356
148 H GLN 24 HN GLN 24 4.518 -0.385 4.100
149 HA GLN 24 HA GLN 24 2.092 -0.186 5.715
150 HB2 GLN 24 HB2 GLN 24 2.584 0.617 2.850
151 HB3 GLN 24 HB1 GLN 24 1.009 0.652 3.618
152 HG2 GLN 24 HG2 GLN 24 3.422 2.236 4.468
153 HG3 GLN 24 HG1 GLN 24 2.031 2.851 3.577
154 HE21 GLN 24 1HE2 GLN 24 0.072 1.339 5.127
155 HE22 GLN 24 2HE2 GLN 24 -0.017 2.074 6.668
156 H CYS 25 HN CYS 25 1.158 -1.976 5.986
157 HA CYS 25 HA CYS 25 1.467 -4.093 4.024
158 HB2 CYS 25 HB2 CYS 25 0.358 -4.187 6.825
159 HB3 CYS 25 HB1 CYS 25 0.674 -5.568 5.780
160 H PHE 26 HN PHE 26 -0.278 -4.968 2.961
161 HA PHE 26 HA PHE 26 -2.847 -3.699 3.520
162 HB2 PHE 26 HB2 PHE 26 -1.818 -4.878 0.918
163 HB3 PHE 26 HB1 PHE 26 -3.445 -4.266 1.168
164 HD1 PHE 26 HD1 PHE 26 0.076 -3.357 0.733
165 HD2 PHE 26 HD2 PHE 26 -3.878 -1.887 1.296
166 HE1 PHE 26 HE1 PHE 26 0.822 -1.102 0.068
167 HE2 PHE 26 HE2 PHE 26 -3.141 0.365 0.638
168 HZ PHE 26 HZ PHE 26 -0.788 0.761 0.024
169 HA PRO 27 HA PRO 27 -3.632 -8.055 4.671
170 HB2 PRO 27 HB2 PRO 27 -5.636 -6.961 6.472
171 HB3 PRO 27 HB1 PRO 27 -4.164 -7.838 6.886
172 HG2 PRO 27 HG2 PRO 27 -4.537 -5.188 7.431
173 HG3 PRO 27 HG1 PRO 27 -2.947 -5.918 7.166
174 HD2 PRO 27 HD2 PRO 27 -4.639 -4.323 5.286
175 HD3 PRO 27 HD1 PRO 27 -2.876 -4.286 5.534
176 H ASP 28 HN ASP 28 -5.429 -5.449 3.548
177 HA ASP 28 HA ASP 28 -7.377 -7.212 2.318
178 HB2 ASP 28 HB2 ASP 28 -8.484 -6.286 4.334
179 HB3 ASP 28 HB1 ASP 28 -8.142 -4.658 3.756
Start of MODEL 13
1 H1 GLY 1 HN GLY 1 -7.619 -4.961 1.813
2 HA2 GLY 1 HA2 GLY 1 -6.119 -2.674 1.007
3 HA3 GLY 1 HA1 GLY 1 -6.765 -3.914 -0.053
4 H PHE 2 HN PHE 2 -6.964 -1.692 -1.220
5 HA PHE 2 HA PHE 2 -9.699 -0.843 -1.050
6 HB2 PHE 2 HB2 PHE 2 -9.101 1.575 -0.830
7 HB3 PHE 2 HB1 PHE 2 -8.755 0.641 0.616
8 HD1 PHE 2 HD1 PHE 2 -7.348 2.664 -2.066
9 HD2 PHE 2 HD2 PHE 2 -6.407 0.139 1.233
10 HE1 PHE 2 HE1 PHE 2 -5.044 3.519 -2.069
11 HE2 PHE 2 HE2 PHE 2 -4.099 0.992 1.231
12 HZ PHE 2 HZ PHE 2 -3.414 2.679 -0.418
13 H CYS 3 HN CYS 3 -10.318 0.306 -2.951
14 HA CYS 3 HA CYS 3 -8.219 0.514 -4.943
15 HB2 CYS 3 HB2 CYS 3 -9.409 -1.636 -5.360
16 HB3 CYS 3 HB1 CYS 3 -10.919 -0.743 -5.504
17 H TRP 4 HN TRP 4 -8.152 2.464 -5.667
18 HA TRP 4 HA TRP 4 -10.575 3.901 -6.277
19 HB2 TRP 4 HB2 TRP 4 -10.126 5.808 -4.939
20 HB3 TRP 4 HB1 TRP 4 -9.805 4.447 -3.872
21 HD1 TRP 4 HD1 TRP 4 -6.770 3.854 -4.598
22 HE1 TRP 4 HE1 TRP 4 -4.933 5.558 -3.997
23 HE3 TRP 4 3HE TRP 4 -9.680 8.017 -4.123
24 HZ2 TRP 4 HZ2 TRP 4 -4.761 8.328 -3.413
25 HZ3 TRP 4 HZ3 TRP 4 -8.609 10.149 -3.534
26 HH2 TRP 4 2HH TRP 4 -6.200 10.293 -3.181
27 H HIS 5 HN HIS 5 -10.075 5.607 -7.837
28 HA HIS 5 HA HIS 5 -9.008 6.427 -9.679
29 HB2 HIS 5 HB2 HIS 5 -6.681 5.914 -7.852
30 HB3 HIS 5 HB1 HIS 5 -6.377 6.472 -9.479
31 HD1 HIS 5 HD1 HIS 5 -5.650 8.847 -9.099
32 HD2 HIS 5 HD2 HIS 5 -9.025 7.874 -6.899
33 HE1 HIS 5 HE1 HIS 5 -6.387 10.986 -7.965
34 H HIS 6 HN HIS 6 -9.572 3.555 -9.321
35 HA HIS 6 HA HIS 6 -9.431 1.578 -10.329
36 HB2 HIS 6 HB2 HIS 6 -9.515 2.975 -12.442
37 HB3 HIS 6 HB1 HIS 6 -7.758 2.938 -12.484
38 HD1 HIS 6 HD1 HIS 6 -7.160 1.389 -14.385
39 HD2 HIS 6 HD2 HIS 6 -10.303 -0.064 -12.096
40 HE1 HIS 6 HE1 HIS 6 -7.726 -0.867 -15.343
41 H SER 7 HN SER 7 -7.302 2.657 -8.487
42 HA SER 7 HA SER 7 -5.171 0.777 -9.136
43 HB2 SER 7 HB2 SER 7 -4.600 3.217 -8.646
44 HB3 SER 7 HB1 SER 7 -5.213 2.958 -7.015
45 HG SER 7 HG SER 7 -3.123 1.558 -8.274
46 H CYS 8 HN CYS 8 -5.846 -1.134 -8.383
47 HA CYS 8 HA CYS 8 -7.323 -1.205 -5.884
48 HB2 CYS 8 HB2 CYS 8 -6.928 -3.395 -7.929
49 HB3 CYS 8 HB1 CYS 8 -7.897 -3.524 -6.473
50 H VAL 9 HN VAL 9 -6.157 -1.336 -4.187
51 HA VAL 9 HA VAL 9 -3.636 -2.757 -4.129
52 HB VAL 9 HB VAL 9 -5.086 -1.139 -2.001
53 HG11 VAL 9 HG11 VAL 9 -2.230 -2.081 -2.106
54 HG12 VAL 9 HG12 VAL 9 -3.494 -2.701 -1.044
55 HG13 VAL 9 3HG1 VAL 9 -2.928 -1.040 -0.864
56 HG21 VAL 9 HG21 VAL 9 -3.519 0.654 -2.522
57 HG22 VAL 9 HG22 VAL 9 -4.517 0.241 -3.919
58 HG23 VAL 9 HG23 VAL 9 -2.844 -0.312 -3.834
59 HA PRO 10 HA PRO 10 -6.000 -6.258 -2.657
60 HB2 PRO 10 HB2 PRO 10 -3.939 -7.953 -2.258
61 HB3 PRO 10 HB1 PRO 10 -4.546 -7.562 -3.870
62 HG2 PRO 10 HG2 PRO 10 -2.140 -6.534 -2.439
63 HG3 PRO 10 HG1 PRO 10 -2.342 -6.935 -4.151
64 HD2 PRO 10 HD2 PRO 10 -2.409 -4.382 -3.152
65 HD3 PRO 10 HD1 PRO 10 -3.210 -4.885 -4.652
66 H SER 11 HN SER 11 -6.360 -7.404 -0.748
67 HA SER 11 HA SER 11 -5.500 -6.086 1.651
68 HB2 SER 11 HB2 SER 11 -7.250 -8.531 1.245
69 HB3 SER 11 HB1 SER 11 -7.057 -7.641 2.759
70 HG SER 11 HG SER 11 -7.995 -6.538 0.330
71 H GLY 12 HN GLY 12 -3.772 -6.686 2.851
72 HA2 GLY 12 HA2 GLY 12 -2.546 -8.403 3.943
73 HA3 GLY 12 HA1 GLY 12 -2.814 -9.434 2.540
74 H THR 13 HN THR 13 -2.214 -6.323 1.582
75 HA THR 13 HA THR 13 0.366 -7.052 0.644
76 HB THR 13 HB THR 13 -1.025 -5.694 -0.828
77 HG1 THR 13 HG1 THR 13 1.034 -5.240 -1.248
78 HG21 THR 13 HG21 THR 13 -0.904 -3.606 1.330
79 HG22 THR 13 HG22 THR 13 -2.350 -4.450 0.762
80 HG23 THR 13 HG23 THR 13 -1.509 -3.311 -0.298
81 H CYS 14 HN CYS 14 1.701 -7.334 2.251
82 HA CYS 14 HA CYS 14 2.445 -4.935 3.731
83 HB2 CYS 14 HB2 CYS 14 2.551 -7.778 4.779
84 HB3 CYS 14 HB1 CYS 14 3.036 -6.332 5.665
85 H ALA 15 HN ALA 15 4.062 -4.257 2.611
86 HA ALA 15 HA ALA 15 6.364 -5.976 2.254
87 HB1 ALA 15 HB1 ALA 15 5.050 -4.504 -0.033
88 HB2 ALA 15 HB2 ALA 15 5.105 -6.255 0.175
89 HB3 ALA 15 HB3 ALA 15 6.594 -5.351 -0.109
90 H ASP 16 HN ASP 16 8.287 -4.730 1.846
91 HA ASP 16 HA ASP 16 8.020 -2.044 2.916
92 HB2 ASP 16 HB2 ASP 16 10.408 -2.132 3.369
93 HB3 ASP 16 HB1 ASP 16 9.614 -3.540 4.058
94 H PHE 17 HN PHE 17 8.267 -0.380 1.866
95 HA PHE 17 HA PHE 17 9.231 -0.454 -0.902
96 HB2 PHE 17 HB2 PHE 17 7.213 1.336 0.499
97 HB3 PHE 17 HB1 PHE 17 7.773 1.605 -1.139
98 HD1 PHE 17 HD1 PHE 17 6.007 -0.892 0.996
99 HD2 PHE 17 HD2 PHE 17 6.612 0.645 -2.917
100 HE1 PHE 17 HE1 PHE 17 4.148 -2.265 0.177
101 HE2 PHE 17 HE2 PHE 17 4.753 -0.733 -3.746
102 HZ PHE 17 HZ PHE 17 3.517 -2.191 -2.190
103 HA PRO 18 HA PRO 18 12.495 2.382 0.261
104 HB2 PRO 18 HB2 PRO 18 12.035 4.511 -1.482
105 HB3 PRO 18 HB1 PRO 18 12.979 3.067 -1.862
106 HG2 PRO 18 HG2 PRO 18 10.124 3.693 -2.491
107 HG3 PRO 18 HG1 PRO 18 11.342 2.891 -3.499
108 HD2 PRO 18 HD2 PRO 18 9.464 1.470 -2.281
109 HD3 PRO 18 HD1 PRO 18 11.132 0.872 -2.351
110 H TRP 19 HN TRP 19 12.926 4.335 1.336
111 HA TRP 19 HA TRP 19 10.944 5.401 3.095
112 HB2 TRP 19 HB2 TRP 19 13.493 5.295 3.387
113 HB3 TRP 19 HB1 TRP 19 13.572 6.681 2.309
114 HD1 TRP 19 HD1 TRP 19 12.559 8.919 3.224
115 HE1 TRP 19 HE1 TRP 19 12.234 9.837 5.649
116 HE3 TRP 19 3HE TRP 19 12.957 4.576 5.697
117 HZ2 TRP 19 HZ2 TRP 19 12.167 8.763 8.266
118 HZ3 TRP 19 HZ3 TRP 19 12.756 4.549 8.163
119 HH2 TRP 19 2HH TRP 19 12.369 6.599 9.406
120 HA PRO 20 HA PRO 20 10.413 7.236 4.151
121 HB2 PRO 20 HB2 PRO 20 8.343 8.815 4.570
122 HB3 PRO 20 HB1 PRO 20 9.910 9.477 4.088
123 HG2 PRO 20 HG2 PRO 20 7.452 9.048 2.456
124 HG3 PRO 20 HG1 PRO 20 8.612 10.385 2.406
125 HD2 PRO 20 HD2 PRO 20 8.575 8.177 0.675
126 HD3 PRO 20 HD1 PRO 20 9.927 9.300 0.894
127 H LEU 21 HN LEU 21 8.823 5.446 2.050
128 HA LEU 21 HA LEU 21 6.366 5.057 3.472
129 HB2 LEU 21 HB2 LEU 21 7.642 3.461 1.257
130 HB3 LEU 21 HB1 LEU 21 6.137 2.997 2.011
131 HG LEU 21 HG LEU 21 5.196 5.203 1.243
132 HD11 LEU 21 HD11 LEU 21 7.269 6.404 0.847
133 HD12 LEU 21 HD12 LEU 21 6.282 6.346 -0.611
134 HD13 LEU 21 HD13 LEU 21 7.685 5.287 -0.453
135 HD21 LEU 21 HD21 LEU 21 6.132 3.246 -0.838
136 HD22 LEU 21 HD22 LEU 21 4.824 4.409 -1.043
137 HD23 LEU 21 HD23 LEU 21 4.678 3.119 0.147
138 H GLY 22 HN GLY 22 8.891 2.657 2.768
139 HA2 GLY 22 HA2 GLY 22 9.938 1.261 4.279
140 HA3 GLY 22 HA1 GLY 22 8.909 1.908 5.561
141 H HIS 23 HN HIS 23 8.213 -0.038 6.327
142 HA HIS 23 HA HIS 23 7.095 -1.986 4.541
143 HB2 HIS 23 HB2 HIS 23 8.240 -2.641 6.656
144 HB3 HIS 23 HB1 HIS 23 6.941 -1.872 7.563
145 HD1 HIS 23 HD1 HIS 23 5.025 -3.414 8.179
146 HD2 HIS 23 HD2 HIS 23 7.252 -4.817 4.960
147 HE1 HIS 23 HE1 HIS 23 4.080 -5.664 7.600
148 H GLN 24 HN GLN 24 5.336 -1.494 3.549
149 HA GLN 24 HA GLN 24 3.184 -0.048 4.902
150 HB2 GLN 24 HB2 GLN 24 3.404 -1.035 2.045
151 HB3 GLN 24 HB1 GLN 24 2.150 0.020 2.670
152 HG2 GLN 24 HG2 GLN 24 5.076 0.696 2.435
153 HG3 GLN 24 HG1 GLN 24 3.789 1.233 1.358
154 HE21 GLN 24 1HE2 GLN 24 2.376 2.813 2.056
155 HE22 GLN 24 2HE2 GLN 24 2.704 3.795 3.421
156 H CYS 25 HN CYS 25 1.494 -1.195 5.697
157 HA CYS 25 HA CYS 25 1.103 -3.924 4.737
158 HB2 CYS 25 HB2 CYS 25 2.591 -4.014 6.733
159 HB3 CYS 25 HB1 CYS 25 1.350 -3.186 7.657
160 H PHE 26 HN PHE 26 -0.822 -3.801 3.944
161 HA PHE 26 HA PHE 26 -2.891 -2.397 5.486
162 HB2 PHE 26 HB2 PHE 26 -2.786 -2.904 2.502
163 HB3 PHE 26 HB1 PHE 26 -4.112 -2.123 3.351
164 HD1 PHE 26 HD1 PHE 26 -0.870 -1.685 1.834
165 HD2 PHE 26 HD2 PHE 26 -3.694 0.061 4.482
166 HE1 PHE 26 HE1 PHE 26 0.236 0.483 1.570
167 HE2 PHE 26 HE2 PHE 26 -2.588 2.245 4.223
168 HZ PHE 26 HZ PHE 26 -0.616 2.448 2.759
169 HA PRO 27 HA PRO 27 -4.336 -6.680 6.031
170 HB2 PRO 27 HB2 PRO 27 -6.305 -5.217 7.709
171 HB3 PRO 27 HB1 PRO 27 -5.283 -6.593 8.135
172 HG2 PRO 27 HG2 PRO 27 -4.740 -4.168 9.084
173 HG3 PRO 27 HG1 PRO 27 -3.437 -5.257 8.575
174 HD2 PRO 27 HD2 PRO 27 -4.611 -2.911 7.135
175 HD3 PRO 27 HD1 PRO 27 -2.912 -3.410 7.294
176 H ASP 28 HN ASP 28 -6.298 -3.787 5.493
177 HA ASP 28 HA ASP 28 -8.073 -5.384 3.791
178 HB2 ASP 28 HB2 ASP 28 -9.294 -4.578 5.789
179 HB3 ASP 28 HB1 ASP 28 -8.803 -2.930 5.428
Start of MODEL 14
1 H1 GLY 1 HN GLY 1 -6.316 -3.557 2.338
2 HA2 GLY 1 HA2 GLY 1 -5.209 -2.922 0.363
3 HA3 GLY 1 HA1 GLY 1 -6.395 -3.847 -0.559
4 H PHE 2 HN PHE 2 -6.168 -1.610 -1.697
5 HA PHE 2 HA PHE 2 -8.618 -0.250 -1.263
6 HB2 PHE 2 HB2 PHE 2 -7.795 1.961 -0.694
7 HB3 PHE 2 HB1 PHE 2 -7.178 0.849 0.517
8 HD1 PHE 2 HD1 PHE 2 -6.362 3.250 -2.052
9 HD2 PHE 2 HD2 PHE 2 -4.751 0.172 0.410
10 HE1 PHE 2 HE1 PHE 2 -4.099 4.075 -2.512
11 HE2 PHE 2 HE2 PHE 2 -2.489 0.998 -0.048
12 HZ PHE 2 HZ PHE 2 -2.160 2.951 -1.516
13 H CYS 3 HN CYS 3 -8.640 1.694 -2.874
14 HA CYS 3 HA CYS 3 -6.641 1.420 -4.922
15 HB2 CYS 3 HB2 CYS 3 -8.509 -0.116 -5.589
16 HB3 CYS 3 HB1 CYS 3 -9.596 1.271 -5.587
17 H TRP 4 HN TRP 4 -6.144 3.296 -5.829
18 HA TRP 4 HA TRP 4 -7.840 5.630 -5.278
19 HB2 TRP 4 HB2 TRP 4 -6.080 5.674 -3.627
20 HB3 TRP 4 HB1 TRP 4 -4.863 5.410 -4.868
21 HD1 TRP 4 HD1 TRP 4 -4.097 7.384 -6.248
22 HE1 TRP 4 HE1 TRP 4 -4.443 9.987 -6.119
23 HE3 TRP 4 3HE TRP 4 -7.943 7.502 -2.955
24 HZ2 TRP 4 HZ2 TRP 4 -6.128 11.767 -4.780
25 HZ3 TRP 4 HZ3 TRP 4 -8.892 9.698 -2.316
26 HH2 TRP 4 2HH TRP 4 -7.999 11.759 -3.210
27 H HIS 5 HN HIS 5 -8.551 6.119 -7.132
28 HA HIS 5 HA HIS 5 -8.711 6.725 -9.293
29 HB2 HIS 5 HB2 HIS 5 -5.981 7.922 -8.716
30 HB3 HIS 5 HB1 HIS 5 -6.958 8.317 -10.120
31 HD1 HIS 5 HD1 HIS 5 -6.450 10.775 -8.754
32 HD2 HIS 5 HD2 HIS 5 -9.359 8.226 -7.245
33 HE1 HIS 5 HE1 HIS 5 -7.888 12.156 -7.196
34 H HIS 6 HN HIS 6 -8.436 4.328 -9.456
35 HA HIS 6 HA HIS 6 -8.024 2.584 -10.759
36 HB2 HIS 6 HB2 HIS 6 -6.306 4.415 -12.456
37 HB3 HIS 6 HB1 HIS 6 -6.773 2.781 -12.890
38 HD1 HIS 6 HD1 HIS 6 -7.616 6.010 -13.831
39 HD2 HIS 6 HD2 HIS 6 -9.904 2.749 -12.661
40 HE1 HIS 6 HE1 HIS 6 -9.913 6.420 -14.761
41 H SER 7 HN SER 7 -5.671 3.967 -8.882
42 HA SER 7 HA SER 7 -3.771 1.858 -9.470
43 HB2 SER 7 HB2 SER 7 -2.914 4.189 -9.010
44 HB3 SER 7 HB1 SER 7 -3.587 4.068 -7.389
45 HG SER 7 HG SER 7 -1.977 2.851 -6.800
46 H CYS 8 HN CYS 8 -4.714 0.026 -8.760
47 HA CYS 8 HA CYS 8 -5.937 0.082 -6.126
48 HB2 CYS 8 HB2 CYS 8 -6.127 -2.053 -8.249
49 HB3 CYS 8 HB1 CYS 8 -7.002 -1.995 -6.728
50 H VAL 9 HN VAL 9 -5.105 -0.916 -4.475
51 HA VAL 9 HA VAL 9 -2.780 -2.658 -4.857
52 HB VAL 9 HB VAL 9 -3.600 -1.062 -2.398
53 HG11 VAL 9 HG11 VAL 9 -1.378 -1.637 -1.528
54 HG12 VAL 9 HG12 VAL 9 -1.082 -2.621 -2.963
55 HG13 VAL 9 3HG1 VAL 9 -2.358 -3.072 -1.835
56 HG21 VAL 9 HG21 VAL 9 -1.670 0.389 -2.883
57 HG22 VAL 9 HG22 VAL 9 -2.882 0.449 -4.162
58 HG23 VAL 9 HG23 VAL 9 -1.408 -0.487 -4.392
59 HA PRO 10 HA PRO 10 -6.022 -5.499 -3.611
60 HB2 PRO 10 HB2 PRO 10 -4.646 -7.791 -3.949
61 HB3 PRO 10 HB1 PRO 10 -5.267 -6.848 -5.308
62 HG2 PRO 10 HG2 PRO 10 -2.504 -6.932 -4.171
63 HG3 PRO 10 HG1 PRO 10 -3.014 -6.934 -5.869
64 HD2 PRO 10 HD2 PRO 10 -2.132 -4.704 -4.587
65 HD3 PRO 10 HD1 PRO 10 -3.313 -4.651 -5.911
66 H SER 11 HN SER 11 -6.355 -7.237 -2.049
67 HA SER 11 HA SER 11 -5.260 -6.633 0.471
68 HB2 SER 11 HB2 SER 11 -6.713 -8.781 0.934
69 HB3 SER 11 HB1 SER 11 -7.473 -7.233 0.552
70 HG SER 11 HG SER 11 -7.320 -9.560 -0.951
71 H GLY 12 HN GLY 12 -3.673 -7.657 1.581
72 HA2 GLY 12 HA2 GLY 12 -2.526 -9.642 2.210
73 HA3 GLY 12 HA1 GLY 12 -2.715 -10.230 0.560
74 H THR 13 HN THR 13 -2.040 -7.031 0.440
75 HA THR 13 HA THR 13 0.563 -7.528 -0.595
76 HB THR 13 HB THR 13 -0.940 -4.927 -0.233
77 HG1 THR 13 HG1 THR 13 -2.021 -5.859 -1.790
78 HG21 THR 13 HG21 THR 13 0.663 -3.992 -1.864
79 HG22 THR 13 HG22 THR 13 1.551 -5.515 -1.865
80 HG23 THR 13 HG23 THR 13 1.489 -4.533 -0.403
81 H CYS 14 HN CYS 14 1.826 -8.177 1.083
82 HA CYS 14 HA CYS 14 2.668 -6.040 2.926
83 HB2 CYS 14 HB2 CYS 14 3.162 -9.033 3.033
84 HB3 CYS 14 HB1 CYS 14 4.002 -7.883 4.061
85 H ALA 15 HN ALA 15 4.133 -4.867 1.936
86 HA ALA 15 HA ALA 15 6.282 -6.263 0.528
87 HB1 ALA 15 HB1 ALA 15 4.626 -5.628 -1.173
88 HB2 ALA 15 HB2 ALA 15 6.142 -4.750 -1.368
89 HB3 ALA 15 HB3 ALA 15 4.747 -3.949 -0.650
90 H ASP 16 HN ASP 16 8.054 -4.744 -0.007
91 HA ASP 16 HA ASP 16 8.627 -3.022 2.194
92 HB2 ASP 16 HB2 ASP 16 10.801 -2.684 1.050
93 HB3 ASP 16 HB1 ASP 16 10.424 -4.392 1.232
94 H PHE 17 HN PHE 17 8.700 -0.875 2.149
95 HA PHE 17 HA PHE 17 7.812 0.534 -0.260
96 HB2 PHE 17 HB2 PHE 17 6.597 0.675 2.503
97 HB3 PHE 17 HB1 PHE 17 6.434 1.997 1.361
98 HD1 PHE 17 HD1 PHE 17 5.675 -1.621 1.832
99 HD2 PHE 17 HD2 PHE 17 4.726 1.978 -0.208
100 HE1 PHE 17 HE1 PHE 17 3.666 -2.681 0.908
101 HE2 PHE 17 HE2 PHE 17 2.726 0.927 -1.138
102 HZ PHE 17 HZ PHE 17 2.188 -1.409 -0.594
103 HA PRO 18 HA PRO 18 11.051 3.314 0.948
104 HB2 PRO 18 HB2 PRO 18 10.073 5.683 0.023
105 HB3 PRO 18 HB1 PRO 18 10.758 4.450 -1.045
106 HG2 PRO 18 HG2 PRO 18 7.901 5.037 -0.392
107 HG3 PRO 18 HG1 PRO 18 8.634 4.690 -1.969
108 HD2 PRO 18 HD2 PRO 18 7.295 2.807 -0.596
109 HD3 PRO 18 HD1 PRO 18 8.727 2.409 -1.565
110 H TRP 19 HN TRP 19 11.158 5.692 1.902
111 HA TRP 19 HA TRP 19 10.139 5.730 4.524
112 HB2 TRP 19 HB2 TRP 19 12.185 6.918 3.647
113 HB3 TRP 19 HB1 TRP 19 11.117 8.036 2.816
114 HD1 TRP 19 HD1 TRP 19 9.551 9.524 4.436
115 HE1 TRP 19 HE1 TRP 19 10.065 10.571 6.737
116 HE3 TRP 19 3HE TRP 19 13.463 6.570 5.727
117 HZ2 TRP 19 HZ2 TRP 19 11.953 10.163 8.840
118 HZ3 TRP 19 HZ3 TRP 19 14.582 6.940 7.884
119 HH2 TRP 19 2HH TRP 19 13.835 8.706 9.408
120 HA PRO 20 HA PRO 20 9.301 6.550 6.070
121 HB2 PRO 20 HB2 PRO 20 7.347 7.264 7.677
122 HB3 PRO 20 HB1 PRO 20 8.256 8.488 6.781
123 HG2 PRO 20 HG2 PRO 20 5.486 7.520 6.368
124 HG3 PRO 20 HG1 PRO 20 6.197 9.087 5.957
125 HD2 PRO 20 HD2 PRO 20 5.816 6.785 4.249
126 HD3 PRO 20 HD1 PRO 20 6.474 8.373 3.812
127 H LEU 21 HN LEU 21 7.649 4.570 4.359
128 HA LEU 21 HA LEU 21 6.159 3.231 6.458
129 HB2 LEU 21 HB2 LEU 21 6.332 2.688 3.512
130 HB3 LEU 21 HB1 LEU 21 5.469 1.650 4.628
131 HG LEU 21 HG LEU 21 4.817 4.550 4.070
132 HD11 LEU 21 HD11 LEU 21 2.822 3.657 2.982
133 HD12 LEU 21 HD12 LEU 21 3.406 2.016 3.253
134 HD13 LEU 21 HD13 LEU 21 4.294 3.102 2.186
135 HD21 LEU 21 HD21 LEU 21 3.428 2.487 5.787
136 HD22 LEU 21 HD22 LEU 21 2.767 4.060 5.365
137 HD23 LEU 21 HD23 LEU 21 4.223 3.962 6.350
138 H GLY 22 HN GLY 22 8.662 2.203 4.074
139 HA2 GLY 22 HA2 GLY 22 10.483 0.858 4.542
140 HA3 GLY 22 HA1 GLY 22 9.864 0.584 6.171
141 H HIS 23 HN HIS 23 7.648 -0.531 6.081
142 HA HIS 23 HA HIS 23 7.331 -2.487 3.973
143 HB2 HIS 23 HB2 HIS 23 8.746 -3.618 5.706
144 HB3 HIS 23 HB1 HIS 23 7.562 -3.189 6.932
145 HD1 HIS 23 HD1 HIS 23 5.563 -4.779 7.211
146 HD2 HIS 23 HD2 HIS 23 7.874 -5.609 3.866
147 HE1 HIS 23 HE1 HIS 23 4.724 -6.972 6.326
148 H GLN 24 HN GLN 24 5.136 -2.958 3.772
149 HA GLN 24 HA GLN 24 3.336 -1.966 5.812
150 HB2 GLN 24 HB2 GLN 24 3.710 -0.003 4.394
151 HB3 GLN 24 HB1 GLN 24 3.261 -0.925 2.973
152 HG2 GLN 24 HG2 GLN 24 1.437 0.492 3.579
153 HG3 GLN 24 HG1 GLN 24 0.984 -1.173 3.913
154 HE21 GLN 24 1HE2 GLN 24 -0.071 1.307 4.967
155 HE22 GLN 24 2HE2 GLN 24 0.113 1.236 6.679
156 H CYS 25 HN CYS 25 1.481 -3.057 5.900
157 HA CYS 25 HA CYS 25 0.968 -5.087 3.871
158 HB2 CYS 25 HB2 CYS 25 0.517 -5.104 6.848
159 HB3 CYS 25 HB1 CYS 25 -0.220 -6.274 5.767
160 H PHE 26 HN PHE 26 -1.122 -5.397 3.241
161 HA PHE 26 HA PHE 26 -3.142 -3.547 4.251
162 HB2 PHE 26 HB2 PHE 26 -2.607 -4.127 1.319
163 HB3 PHE 26 HB1 PHE 26 -4.008 -3.269 1.938
164 HD1 PHE 26 HD1 PHE 26 -0.539 -3.028 0.974
165 HD2 PHE 26 HD2 PHE 26 -3.698 -1.040 3.016
166 HE1 PHE 26 HE1 PHE 26 0.681 -0.900 0.793
167 HE2 PHE 26 HE2 PHE 26 -2.484 1.085 2.842
168 HZ PHE 26 HZ PHE 26 -0.287 1.158 1.721
169 HA PRO 27 HA PRO 27 -4.776 -7.856 4.509
170 HB2 PRO 27 HB2 PRO 27 -6.602 -6.447 6.378
171 HB3 PRO 27 HB1 PRO 27 -5.688 -7.939 6.619
172 HG2 PRO 27 HG2 PRO 27 -4.927 -5.690 7.813
173 HG3 PRO 27 HG1 PRO 27 -3.726 -6.807 7.142
174 HD2 PRO 27 HD2 PRO 27 -4.748 -4.228 6.013
175 HD3 PRO 27 HD1 PRO 27 -3.092 -4.867 6.055
176 H ASP 28 HN ASP 28 -6.351 -4.811 3.944
177 HA ASP 28 HA ASP 28 -8.565 -6.229 2.602
178 HB2 ASP 28 HB2 ASP 28 -8.514 -3.411 3.702
179 HB3 ASP 28 HB1 ASP 28 -9.815 -4.054 2.714
Start of MODEL 15
1 H1 GLY 1 HN GLY 1 -7.210 -5.967 0.514
2 HA2 GLY 1 HA2 GLY 1 -5.706 -3.583 -0.013
3 HA3 GLY 1 HA1 GLY 1 -6.446 -4.645 -1.201
4 H PHE 2 HN PHE 2 -6.652 -2.157 -1.842
5 HA PHE 2 HA PHE 2 -9.419 -1.518 -1.407
6 HB2 PHE 2 HB2 PHE 2 -8.951 0.834 -0.767
7 HB3 PHE 2 HB1 PHE 2 -8.432 -0.322 0.445
8 HD1 PHE 2 HD1 PHE 2 -7.373 2.239 -1.926
9 HD2 PHE 2 HD2 PHE 2 -6.032 -0.703 0.849
10 HE1 PHE 2 HE1 PHE 2 -5.157 3.285 -1.891
11 HE2 PHE 2 HE2 PHE 2 -3.806 0.344 0.880
12 HZ PHE 2 HZ PHE 2 -3.371 2.345 -0.491
13 H CYS 3 HN CYS 3 -10.213 0.028 -2.910
14 HA CYS 3 HA CYS 3 -8.432 0.574 -5.168
15 HB2 CYS 3 HB2 CYS 3 -11.395 -0.041 -5.193
16 HB3 CYS 3 HB1 CYS 3 -10.477 0.518 -6.583
17 H TRP 4 HN TRP 4 -8.139 2.675 -5.498
18 HA TRP 4 HA TRP 4 -10.330 4.475 -5.189
19 HB2 TRP 4 HB2 TRP 4 -9.466 5.864 -3.488
20 HB3 TRP 4 HB1 TRP 4 -9.171 4.243 -2.886
21 HD1 TRP 4 HD1 TRP 4 -6.301 3.811 -4.423
22 HE1 TRP 4 HE1 TRP 4 -4.251 5.171 -3.587
23 HE3 TRP 4 3HE TRP 4 -8.743 7.481 -1.865
24 HZ2 TRP 4 HZ2 TRP 4 -3.779 7.473 -2.037
25 HZ3 TRP 4 HZ3 TRP 4 -7.434 9.203 -0.719
26 HH2 TRP 4 2HH TRP 4 -4.998 9.192 -0.801
27 H HIS 5 HN HIS 5 -9.918 6.426 -6.394
28 HA HIS 5 HA HIS 5 -9.015 7.639 -8.136
29 HB2 HIS 5 HB2 HIS 5 -6.441 6.537 -6.971
30 HB3 HIS 5 HB1 HIS 5 -6.458 7.640 -8.332
31 HD1 HIS 5 HD1 HIS 5 -5.530 9.739 -7.369
32 HD2 HIS 5 HD2 HIS 5 -8.388 8.024 -4.900
33 HE1 HIS 5 HE1 HIS 5 -5.814 11.334 -5.430
34 H HIS 6 HN HIS 6 -9.791 4.783 -8.469
35 HA HIS 6 HA HIS 6 -9.860 3.138 -9.990
36 HB2 HIS 6 HB2 HIS 6 -8.399 5.131 -11.743
37 HB3 HIS 6 HB1 HIS 6 -8.860 3.535 -12.312
38 HD1 HIS 6 HD1 HIS 6 -11.309 3.193 -12.972
39 HD2 HIS 6 HD2 HIS 6 -10.521 6.903 -11.289
40 HE1 HIS 6 HE1 HIS 6 -13.383 4.577 -13.371
41 H SER 7 HN SER 7 -7.520 3.578 -8.126
42 HA SER 7 HA SER 7 -5.688 1.735 -9.442
43 HB2 SER 7 HB2 SER 7 -4.772 3.985 -8.813
44 HB3 SER 7 HB1 SER 7 -5.165 3.630 -7.135
45 HG SER 7 HG SER 7 -3.176 2.610 -8.778
46 H CYS 8 HN CYS 8 -5.910 -0.249 -8.700
47 HA CYS 8 HA CYS 8 -7.014 -0.650 -6.028
48 HB2 CYS 8 HB2 CYS 8 -6.953 -2.469 -8.423
49 HB3 CYS 8 HB1 CYS 8 -7.461 -2.983 -6.821
50 H VAL 9 HN VAL 9 -5.919 -1.566 -4.534
51 HA VAL 9 HA VAL 9 -3.344 -2.836 -5.157
52 HB VAL 9 HB VAL 9 -4.308 -1.656 -2.518
53 HG11 VAL 9 HG11 VAL 9 -2.724 -3.472 -2.208
54 HG12 VAL 9 HG12 VAL 9 -1.988 -1.930 -1.770
55 HG13 VAL 9 3HG1 VAL 9 -1.588 -2.693 -3.309
56 HG21 VAL 9 HG21 VAL 9 -3.920 0.130 -4.132
57 HG22 VAL 9 HG22 VAL 9 -2.317 -0.514 -4.483
58 HG23 VAL 9 HG23 VAL 9 -2.671 0.147 -2.887
59 HA PRO 10 HA PRO 10 -6.036 -6.348 -4.024
60 HB2 PRO 10 HB2 PRO 10 -3.615 -7.933 -4.564
61 HB3 PRO 10 HB1 PRO 10 -5.207 -8.041 -5.316
62 HG2 PRO 10 HG2 PRO 10 -3.086 -7.058 -6.632
63 HG3 PRO 10 HG1 PRO 10 -4.722 -6.428 -6.885
64 HD2 PRO 10 HD2 PRO 10 -2.468 -5.270 -5.288
65 HD3 PRO 10 HD1 PRO 10 -3.654 -4.459 -6.337
66 H SER 11 HN SER 11 -6.167 -7.727 -2.254
67 HA SER 11 HA SER 11 -4.573 -7.150 0.005
68 HB2 SER 11 HB2 SER 11 -6.448 -9.480 -0.464
69 HB3 SER 11 HB1 SER 11 -5.950 -8.813 1.095
70 HG SER 11 HG SER 11 -7.856 -7.986 -0.666
71 H GLY 12 HN GLY 12 -2.634 -8.044 0.524
72 HA2 GLY 12 HA2 GLY 12 -1.366 -10.109 0.762
73 HA3 GLY 12 HA1 GLY 12 -1.856 -10.501 -0.888
74 H THR 13 HN THR 13 -1.599 -7.410 -1.176
75 HA THR 13 HA THR 13 0.963 -7.490 -2.389
76 HB THR 13 HB THR 13 -0.832 -5.110 -1.869
77 HG1 THR 13 HG1 THR 13 -2.038 -6.195 -3.168
78 HG21 THR 13 HG21 THR 13 0.352 -4.091 -3.764
79 HG22 THR 13 HG22 THR 13 1.352 -5.529 -3.928
80 HG23 THR 13 HG23 THR 13 1.497 -4.515 -2.490
81 H CYS 14 HN CYS 14 2.663 -7.528 -1.151
82 HA CYS 14 HA CYS 14 2.890 -5.642 1.053
83 HB2 CYS 14 HB2 CYS 14 4.688 -7.896 0.143
84 HB3 CYS 14 HB1 CYS 14 5.108 -6.775 1.433
85 H ALA 15 HN ALA 15 4.119 -3.851 0.913
86 HA ALA 15 HA ALA 15 5.715 -3.501 -1.487
87 HB1 ALA 15 HB1 ALA 15 4.701 -1.319 -1.912
88 HB2 ALA 15 HB2 ALA 15 3.565 -1.586 -0.591
89 HB3 ALA 15 HB3 ALA 15 3.503 -2.609 -2.026
90 H ASP 16 HN ASP 16 7.400 -2.137 -1.204
91 HA ASP 16 HA ASP 16 8.028 -1.473 1.528
92 HB2 ASP 16 HB2 ASP 16 10.256 -0.854 0.613
93 HB3 ASP 16 HB1 ASP 16 9.799 -2.509 0.232
94 H PHE 17 HN PHE 17 8.260 0.524 2.298
95 HA PHE 17 HA PHE 17 7.864 2.827 0.564
96 HB2 PHE 17 HB2 PHE 17 6.308 2.377 3.138
97 HB3 PHE 17 HB1 PHE 17 6.252 3.839 2.168
98 HD1 PHE 17 HD1 PHE 17 4.999 0.501 2.673
99 HD2 PHE 17 HD2 PHE 17 5.107 3.758 -0.061
100 HE1 PHE 17 HE1 PHE 17 3.066 -0.434 1.482
101 HE2 PHE 17 HE2 PHE 17 3.173 2.820 -1.252
102 HZ PHE 17 HZ PHE 17 2.151 0.711 -0.459
103 HA PRO 18 HA PRO 18 11.635 2.600 3.206
104 HB2 PRO 18 HB2 PRO 18 12.153 4.972 1.470
105 HB3 PRO 18 HB1 PRO 18 13.257 3.688 1.972
106 HG2 PRO 18 HG2 PRO 18 12.197 3.618 -0.451
107 HG3 PRO 18 HG1 PRO 18 12.334 2.133 0.506
108 HD2 PRO 18 HD2 PRO 18 9.930 3.782 -0.095
109 HD3 PRO 18 HD1 PRO 18 10.074 2.025 0.105
110 H TRP 19 HN TRP 19 10.792 5.972 2.383
111 HA TRP 19 HA TRP 19 11.291 6.490 5.165
112 HB2 TRP 19 HB2 TRP 19 12.616 7.818 3.684
113 HB3 TRP 19 HB1 TRP 19 11.190 8.375 2.816
114 HD1 TRP 19 HD1 TRP 19 12.450 8.547 6.499
115 HE1 TRP 19 HE1 TRP 19 11.907 10.894 7.407
116 HE3 TRP 19 3HE TRP 19 10.171 10.484 2.369
117 HZ2 TRP 19 HZ2 TRP 19 10.674 13.267 6.472
118 HZ3 TRP 19 HZ3 TRP 19 9.343 12.797 2.448
119 HH2 TRP 19 2HH TRP 19 9.592 14.155 4.461
120 HA PRO 20 HA PRO 20 10.685 6.392 6.844
121 HB2 PRO 20 HB2 PRO 20 9.332 7.175 9.022
122 HB3 PRO 20 HB1 PRO 20 10.186 8.348 8.017
123 HG2 PRO 20 HG2 PRO 20 7.319 8.070 8.422
124 HG3 PRO 20 HG1 PRO 20 8.192 9.340 7.553
125 HD2 PRO 20 HD2 PRO 20 6.905 6.884 6.512
126 HD3 PRO 20 HD1 PRO 20 7.248 8.409 5.669
127 H LEU 21 HN LEU 21 8.659 4.644 5.573
128 HA LEU 21 HA LEU 21 7.282 3.457 7.900
129 HB2 LEU 21 HB2 LEU 21 6.660 3.115 4.982
130 HB3 LEU 21 HB1 LEU 21 5.738 2.424 6.298
131 HG LEU 21 HG LEU 21 5.993 5.352 5.610
132 HD11 LEU 21 HD11 LEU 21 4.573 4.148 4.085
133 HD12 LEU 21 HD12 LEU 21 3.608 5.199 5.122
134 HD13 LEU 21 HD13 LEU 21 3.665 3.464 5.433
135 HD21 LEU 21 HD21 LEU 21 4.433 4.040 7.843
136 HD22 LEU 21 HD22 LEU 21 4.336 5.738 7.385
137 HD23 LEU 21 HD23 LEU 21 5.839 5.088 8.034
138 H GLY 22 HN GLY 22 9.577 2.775 5.444
139 HA2 GLY 22 HA2 GLY 22 11.085 1.028 5.394
140 HA3 GLY 22 HA1 GLY 22 10.196 0.261 6.708
141 H HIS 23 HN HIS 23 8.239 -0.828 6.215
142 HA HIS 23 HA HIS 23 7.719 -1.563 3.456
143 HB2 HIS 23 HB2 HIS 23 9.557 -3.083 4.213
144 HB3 HIS 23 HB1 HIS 23 8.536 -3.619 5.537
145 HD1 HIS 23 HD1 HIS 23 6.919 -5.534 5.027
146 HD2 HIS 23 HD2 HIS 23 8.654 -3.886 1.629
147 HE1 HIS 23 HE1 HIS 23 6.302 -7.052 3.143
148 H GLN 24 HN GLN 24 5.593 -2.521 3.238
149 HA GLN 24 HA GLN 24 4.014 -2.773 5.680
150 HB2 GLN 24 HB2 GLN 24 3.920 -0.356 4.694
151 HB3 GLN 24 HB1 GLN 24 3.087 -1.114 3.368
152 HG2 GLN 24 HG2 GLN 24 1.321 -1.879 4.807
153 HG3 GLN 24 HG1 GLN 24 2.141 -1.198 6.210
154 HE21 GLN 24 1HE2 GLN 24 -0.461 -0.598 5.219
155 HE22 GLN 24 2HE2 GLN 24 -0.486 1.087 4.833
156 H CYS 25 HN CYS 25 2.318 -4.238 5.409
157 HA CYS 25 HA CYS 25 1.946 -5.347 2.728
158 HB2 CYS 25 HB2 CYS 25 1.947 -6.779 5.389
159 HB3 CYS 25 HB1 CYS 25 1.318 -7.489 3.910
160 H PHE 26 HN PHE 26 -0.101 -5.535 2.023
161 HA PHE 26 HA PHE 26 -2.120 -4.374 3.781
162 HB2 PHE 26 HB2 PHE 26 -2.125 -4.728 0.774
163 HB3 PHE 26 HB1 PHE 26 -3.391 -3.943 1.709
164 HD1 PHE 26 HD1 PHE 26 -0.038 -3.628 0.319
165 HD2 PHE 26 HD2 PHE 26 -3.007 -1.760 2.723
166 HE1 PHE 26 HE1 PHE 26 1.161 -1.497 0.129
167 HE2 PHE 26 HE2 PHE 26 -1.809 0.378 2.537
168 HZ PHE 26 HZ PHE 26 0.277 0.513 1.246
169 HA PRO 27 HA PRO 27 -3.655 -8.665 3.866
170 HB2 PRO 27 HB2 PRO 27 -5.178 -8.366 6.092
171 HB3 PRO 27 HB1 PRO 27 -3.434 -8.625 6.185
172 HG2 PRO 27 HG2 PRO 27 -4.990 -6.088 6.443
173 HG3 PRO 27 HG1 PRO 27 -3.581 -6.636 7.366
174 HD2 PRO 27 HD2 PRO 27 -3.454 -4.832 5.322
175 HD3 PRO 27 HD1 PRO 27 -2.102 -5.888 5.777
176 H ASP 28 HN ASP 28 -5.172 -5.624 3.843
177 HA ASP 28 HA ASP 28 -7.483 -6.709 2.443
178 HB2 ASP 28 HB2 ASP 28 -8.244 -6.195 4.728
179 HB3 ASP 28 HB1 ASP 28 -7.582 -4.568 4.590
Start of MODEL 16
1 H1 GLY 1 HN GLY 1 -6.784 -6.670 0.150
2 HA2 GLY 1 HA2 GLY 1 -5.695 -3.992 -0.201
3 HA3 GLY 1 HA1 GLY 1 -5.897 -5.202 -1.462
4 H PHE 2 HN PHE 2 -6.693 -3.060 -2.413
5 HA PHE 2 HA PHE 2 -9.483 -3.137 -2.661
6 HB2 PHE 2 HB2 PHE 2 -9.934 -0.807 -1.832
7 HB3 PHE 2 HB1 PHE 2 -9.517 -1.923 -0.542
8 HD1 PHE 2 HD1 PHE 2 -8.665 1.142 -2.229
9 HD2 PHE 2 HD2 PHE 2 -7.201 -1.814 0.457
10 HE1 PHE 2 HE1 PHE 2 -6.902 2.677 -1.481
11 HE2 PHE 2 HE2 PHE 2 -5.439 -0.273 1.195
12 HZ PHE 2 HZ PHE 2 -5.296 1.978 0.224
13 H CYS 3 HN CYS 3 -10.147 -1.384 -4.226
14 HA CYS 3 HA CYS 3 -7.865 -0.794 -5.957
15 HB2 CYS 3 HB2 CYS 3 -10.772 -1.260 -6.645
16 HB3 CYS 3 HB1 CYS 3 -9.546 -0.788 -7.808
17 H TRP 4 HN TRP 4 -7.312 1.273 -6.151
18 HA TRP 4 HA TRP 4 -9.317 3.332 -6.177
19 HB2 TRP 4 HB2 TRP 4 -8.582 4.563 -4.280
20 HB3 TRP 4 HB1 TRP 4 -8.712 2.888 -3.755
21 HD1 TRP 4 HD1 TRP 4 -5.758 1.911 -4.738
22 HE1 TRP 4 HE1 TRP 4 -3.701 2.715 -3.451
23 HE3 TRP 4 3HE TRP 4 -7.808 5.996 -2.447
24 HZ2 TRP 4 HZ2 TRP 4 -3.030 4.833 -1.678
25 HZ3 TRP 4 HZ3 TRP 4 -6.393 7.347 -0.961
26 HH2 TRP 4 2HH TRP 4 -4.051 6.768 -0.586
27 H HIS 5 HN HIS 5 -8.332 5.408 -6.852
28 HA HIS 5 HA HIS 5 -6.980 6.670 -8.208
29 HB2 HIS 5 HB2 HIS 5 -4.903 4.958 -6.839
30 HB3 HIS 5 HB1 HIS 5 -4.428 6.122 -8.057
31 HD1 HIS 5 HD1 HIS 5 -3.241 7.856 -6.608
32 HD2 HIS 5 HD2 HIS 5 -6.946 6.743 -5.089
33 HE1 HIS 5 HE1 HIS 5 -3.694 9.399 -4.697
34 H HIS 6 HN HIS 6 -8.144 4.118 -9.150
35 HA HIS 6 HA HIS 6 -8.184 2.713 -10.873
36 HB2 HIS 6 HB2 HIS 6 -6.389 4.812 -12.102
37 HB3 HIS 6 HB1 HIS 6 -6.936 3.396 -12.997
38 HD1 HIS 6 HD1 HIS 6 -9.424 3.327 -13.682
39 HD2 HIS 6 HD2 HIS 6 -8.321 6.739 -11.602
40 HE1 HIS 6 HE1 HIS 6 -11.364 4.934 -13.901
41 H SER 7 HN SER 7 -6.370 2.235 -8.757
42 HA SER 7 HA SER 7 -4.694 0.336 -10.135
43 HB2 SER 7 HB2 SER 7 -2.844 0.845 -8.439
44 HB3 SER 7 HB1 SER 7 -3.088 2.045 -9.705
45 HG SER 7 HG SER 7 -4.642 2.589 -7.562
46 H CYS 8 HN CYS 8 -5.121 -1.607 -9.416
47 HA CYS 8 HA CYS 8 -6.552 -1.874 -6.944
48 HB2 CYS 8 HB2 CYS 8 -5.969 -3.787 -9.177
49 HB3 CYS 8 HB1 CYS 8 -6.644 -4.327 -7.642
50 H VAL 9 HN VAL 9 -5.695 -2.212 -5.133
51 HA VAL 9 HA VAL 9 -2.972 -3.172 -4.880
52 HB VAL 9 HB VAL 9 -4.967 -2.187 -2.801
53 HG11 VAL 9 HG11 VAL 9 -3.278 -3.625 -1.814
54 HG12 VAL 9 HG12 VAL 9 -3.044 -1.952 -1.310
55 HG13 VAL 9 3HG1 VAL 9 -2.003 -2.653 -2.548
56 HG21 VAL 9 HG21 VAL 9 -3.670 -0.101 -2.781
57 HG22 VAL 9 HG22 VAL 9 -4.396 -0.410 -4.359
58 HG23 VAL 9 HG23 VAL 9 -2.678 -0.715 -4.104
59 HA PRO 10 HA PRO 10 -4.958 -7.139 -4.129
60 HB2 PRO 10 HB2 PRO 10 -2.688 -8.637 -4.103
61 HB3 PRO 10 HB1 PRO 10 -3.472 -8.094 -5.588
62 HG2 PRO 10 HG2 PRO 10 -1.032 -7.065 -4.250
63 HG3 PRO 10 HG1 PRO 10 -1.436 -7.113 -5.968
64 HD2 PRO 10 HD2 PRO 10 -1.598 -4.869 -4.326
65 HD3 PRO 10 HD1 PRO 10 -2.392 -5.059 -5.899
66 H SER 11 HN SER 11 -5.330 -8.396 -2.367
67 HA SER 11 HA SER 11 -4.534 -7.480 0.191
68 HB2 SER 11 HB2 SER 11 -5.903 -10.056 -0.615
69 HB3 SER 11 HB1 SER 11 -5.888 -9.331 0.995
70 HG SER 11 HG SER 11 -7.790 -8.828 -0.055
71 H GLY 12 HN GLY 12 -2.479 -7.865 0.998
72 HA2 GLY 12 HA2 GLY 12 -1.199 -9.685 1.937
73 HA3 GLY 12 HA1 GLY 12 -1.347 -10.477 0.368
74 H THR 13 HN THR 13 -1.120 -7.310 -0.370
75 HA THR 13 HA THR 13 1.657 -7.692 -0.893
76 HB THR 13 HB THR 13 0.191 -6.743 -2.693
77 HG1 THR 13 HG1 THR 13 2.075 -6.173 -3.253
78 HG21 THR 13 HG21 THR 13 0.176 -4.266 -0.966
79 HG22 THR 13 HG22 THR 13 -1.233 -5.255 -1.360
80 HG23 THR 13 HG23 THR 13 -0.401 -4.351 -2.627
81 H CYS 14 HN CYS 14 3.058 -7.242 0.457
82 HA CYS 14 HA CYS 14 2.766 -4.883 2.173
83 HB2 CYS 14 HB2 CYS 14 3.957 -7.530 3.030
84 HB3 CYS 14 HB1 CYS 14 3.674 -6.119 4.047
85 H ALA 15 HN ALA 15 4.430 -3.527 1.995
86 HA ALA 15 HA ALA 15 7.006 -4.544 1.136
87 HB1 ALA 15 HB1 ALA 15 5.494 -2.436 -0.398
88 HB2 ALA 15 HB2 ALA 15 5.817 -4.083 -0.937
89 HB3 ALA 15 HB3 ALA 15 7.153 -2.954 -0.705
90 H ASP 16 HN ASP 16 8.556 -2.622 1.009
91 HA ASP 16 HA ASP 16 8.194 -1.089 3.416
92 HB2 ASP 16 HB2 ASP 16 10.530 -0.487 3.158
93 HB3 ASP 16 HB1 ASP 16 10.358 -2.228 2.977
94 H PHE 17 HN PHE 17 8.024 1.039 3.463
95 HA PHE 17 HA PHE 17 8.035 2.570 0.979
96 HB2 PHE 17 HB2 PHE 17 5.858 2.583 3.093
97 HB3 PHE 17 HB1 PHE 17 6.041 3.869 1.920
98 HD1 PHE 17 HD1 PHE 17 5.253 0.289 2.348
99 HD2 PHE 17 HD2 PHE 17 5.163 3.634 -0.266
100 HE1 PHE 17 HE1 PHE 17 3.774 -0.949 0.836
101 HE2 PHE 17 HE2 PHE 17 3.683 2.399 -1.794
102 HZ PHE 17 HZ PHE 17 2.981 0.104 -1.237
103 HA PRO 18 HA PRO 18 10.931 3.949 4.252
104 HB2 PRO 18 HB2 PRO 18 11.884 5.553 1.933
105 HB3 PRO 18 HB1 PRO 18 12.802 4.602 3.105
106 HG2 PRO 18 HG2 PRO 18 12.382 3.676 0.646
107 HG3 PRO 18 HG1 PRO 18 12.343 2.596 2.048
108 HD2 PRO 18 HD2 PRO 18 10.088 3.686 0.435
109 HD3 PRO 18 HD1 PRO 18 10.262 2.104 1.215
110 H TRP 19 HN TRP 19 10.115 6.466 1.856
111 HA TRP 19 HA TRP 19 9.897 8.237 4.110
112 HB2 TRP 19 HB2 TRP 19 11.405 8.990 2.405
113 HB3 TRP 19 HB1 TRP 19 10.159 8.840 1.170
114 HD1 TRP 19 HD1 TRP 19 10.814 10.917 4.375
115 HE1 TRP 19 HE1 TRP 19 9.770 13.243 4.054
116 HE3 TRP 19 3HE TRP 19 8.659 10.191 -0.189
117 HZ2 TRP 19 HZ2 TRP 19 8.227 14.601 2.100
118 HZ3 TRP 19 HZ3 TRP 19 7.420 12.038 -1.225
119 HH2 TRP 19 2HH TRP 19 7.208 14.210 -0.097
120 HA PRO 20 HA PRO 20 8.915 8.710 5.525
121 HB2 PRO 20 HB2 PRO 20 6.974 10.183 6.765
122 HB3 PRO 20 HB1 PRO 20 8.171 10.893 5.679
123 HG2 PRO 20 HG2 PRO 20 5.355 10.786 5.280
124 HG3 PRO 20 HG1 PRO 20 6.574 11.338 4.124
125 HD2 PRO 20 HD2 PRO 20 5.293 8.650 4.390
126 HD3 PRO 20 HD1 PRO 20 5.777 9.521 2.913
127 H LEU 21 HN LEU 21 7.449 6.295 4.941
128 HA LEU 21 HA LEU 21 5.646 5.994 7.251
129 HB2 LEU 21 HB2 LEU 21 5.955 4.182 4.858
130 HB3 LEU 21 HB1 LEU 21 4.893 3.845 6.190
131 HG LEU 21 HG LEU 21 3.767 6.100 5.498
132 HD11 LEU 21 HD11 LEU 21 3.909 6.599 3.145
133 HD12 LEU 21 HD12 LEU 21 5.085 5.314 2.919
134 HD13 LEU 21 HD13 LEU 21 5.513 6.727 3.876
135 HD21 LEU 21 HD21 LEU 21 2.699 3.927 5.390
136 HD22 LEU 21 HD22 LEU 21 3.518 3.584 3.865
137 HD23 LEU 21 HD23 LEU 21 2.326 4.882 3.955
138 H GLY 22 HN GLY 22 7.812 3.859 5.508
139 HA2 GLY 22 HA2 GLY 22 9.727 2.942 6.802
140 HA3 GLY 22 HA1 GLY 22 8.523 2.574 8.046
141 H HIS 23 HN HIS 23 6.715 1.213 7.413
142 HA HIS 23 HA HIS 23 7.142 -0.509 5.102
143 HB2 HIS 23 HB2 HIS 23 8.369 -1.588 6.985
144 HB3 HIS 23 HB1 HIS 23 6.902 -1.557 7.948
145 HD1 HIS 23 HD1 HIS 23 5.207 -3.487 7.556
146 HD2 HIS 23 HD2 HIS 23 8.390 -3.457 4.878
147 HE1 HIS 23 HE1 HIS 23 5.092 -5.665 6.336
148 H GLN 24 HN GLN 24 5.180 -1.252 4.274
149 HA GLN 24 HA GLN 24 2.783 -0.730 5.877
150 HB2 GLN 24 HB2 GLN 24 3.179 1.141 4.198
151 HB3 GLN 24 HB1 GLN 24 3.074 -0.068 2.945
152 HG2 GLN 24 HG2 GLN 24 0.992 1.102 3.089
153 HG3 GLN 24 HG1 GLN 24 0.771 -0.567 3.600
154 HE21 GLN 24 1HE2 GLN 24 -1.098 -0.058 4.735
155 HE22 GLN 24 2HE2 GLN 24 -1.057 0.797 6.227
156 H CYS 25 HN CYS 25 1.618 -2.530 5.992
157 HA CYS 25 HA CYS 25 1.867 -4.517 3.856
158 HB2 CYS 25 HB2 CYS 25 2.948 -5.206 5.978
159 HB3 CYS 25 HB1 CYS 25 1.443 -4.926 6.828
160 H PHE 26 HN PHE 26 -0.024 -4.898 2.830
161 HA PHE 26 HA PHE 26 -2.472 -3.918 4.111
162 HB2 PHE 26 HB2 PHE 26 -1.967 -4.548 1.184
163 HB3 PHE 26 HB1 PHE 26 -3.444 -3.902 1.861
164 HD1 PHE 26 HD1 PHE 26 -0.060 -3.146 0.777
165 HD2 PHE 26 HD2 PHE 26 -3.562 -1.570 2.596
166 HE1 PHE 26 HE1 PHE 26 0.740 -0.857 0.326
167 HE2 PHE 26 HE2 PHE 26 -2.772 0.714 2.157
168 HZ PHE 26 HZ PHE 26 -0.617 1.074 1.017
169 HA PRO 27 HA PRO 27 -3.094 -8.463 4.543
170 HB2 PRO 27 HB2 PRO 27 -5.370 -7.405 6.139
171 HB3 PRO 27 HB1 PRO 27 -4.176 -8.626 6.584
172 HG2 PRO 27 HG2 PRO 27 -4.079 -6.191 7.649
173 HG3 PRO 27 HG1 PRO 27 -2.592 -7.047 7.200
174 HD2 PRO 27 HD2 PRO 27 -3.997 -4.822 5.777
175 HD3 PRO 27 HD1 PRO 27 -2.263 -5.103 6.006
176 H ASP 28 HN ASP 28 -5.427 -5.879 3.961
177 HA ASP 28 HA ASP 28 -6.720 -7.545 1.975
178 HB2 ASP 28 HB2 ASP 28 -8.084 -5.672 3.938
179 HB3 ASP 28 HB1 ASP 28 -8.850 -6.283 2.482
Start of MODEL 17
1 H1 GLY 1 HN GLY 1 -4.667 -5.804 2.692
2 HA2 GLY 1 HA2 GLY 1 -3.981 -4.962 0.620
3 HA3 GLY 1 HA1 GLY 1 -5.123 -6.070 -0.126
4 H PHE 2 HN PHE 2 -5.446 -4.142 -1.591
5 HA PHE 2 HA PHE 2 -7.930 -3.008 -0.947
6 HB2 PHE 2 HB2 PHE 2 -7.396 -0.612 -0.872
7 HB3 PHE 2 HB1 PHE 2 -6.614 -1.446 0.456
8 HD1 PHE 2 HD1 PHE 2 -6.127 0.435 -2.641
9 HD2 PHE 2 HD2 PHE 2 -4.172 -1.635 0.522
10 HE1 PHE 2 HE1 PHE 2 -3.996 1.501 -3.259
11 HE2 PHE 2 HE2 PHE 2 -2.051 -0.575 -0.097
12 HZ PHE 2 HZ PHE 2 -1.961 1.001 -1.989
13 H CYS 3 HN CYS 3 -8.586 -1.386 -2.666
14 HA CYS 3 HA CYS 3 -6.938 -1.605 -5.034
15 HB2 CYS 3 HB2 CYS 3 -8.753 -3.325 -5.228
16 HB3 CYS 3 HB1 CYS 3 -9.949 -2.042 -5.064
17 H TRP 4 HN TRP 4 -6.385 0.362 -5.503
18 HA TRP 4 HA TRP 4 -8.345 2.454 -5.557
19 HB2 TRP 4 HB2 TRP 4 -7.610 2.377 -3.199
20 HB3 TRP 4 HB1 TRP 4 -5.949 2.609 -3.705
21 HD1 TRP 4 HD1 TRP 4 -8.647 4.770 -5.362
22 HE1 TRP 4 HE1 TRP 4 -8.389 7.201 -4.548
23 HE3 TRP 4 3HE TRP 4 -5.130 4.046 -1.733
24 HZ2 TRP 4 HZ2 TRP 4 -6.884 8.614 -2.653
25 HZ3 TRP 4 HZ3 TRP 4 -4.322 6.004 -0.491
26 HH2 TRP 4 2HH TRP 4 -5.178 8.222 -0.937
27 H HIS 5 HN HIS 5 -7.477 4.311 -6.632
28 HA HIS 5 HA HIS 5 -6.411 5.348 -8.303
29 HB2 HIS 5 HB2 HIS 5 -3.978 3.643 -7.577
30 HB3 HIS 5 HB1 HIS 5 -4.060 5.035 -8.655
31 HD1 HIS 5 HD1 HIS 5 -3.626 7.317 -7.622
32 HD2 HIS 5 HD2 HIS 5 -4.339 4.362 -4.796
33 HE1 HIS 5 HE1 HIS 5 -3.114 8.342 -5.358
34 H HIS 6 HN HIS 6 -7.856 2.903 -8.511
35 HA HIS 6 HA HIS 6 -8.587 1.366 -9.950
36 HB2 HIS 6 HB2 HIS 6 -8.379 3.292 -11.581
37 HB3 HIS 6 HB1 HIS 6 -6.791 2.687 -12.019
38 HD1 HIS 6 HD1 HIS 6 -6.979 1.604 -14.260
39 HD2 HIS 6 HD2 HIS 6 -10.296 0.857 -11.881
40 HE1 HIS 6 HE1 HIS 6 -8.498 0.128 -15.639
41 H SER 7 HN SER 7 -6.096 1.003 -8.365
42 HA SER 7 HA SER 7 -5.048 -1.261 -9.892
43 HB2 SER 7 HB2 SER 7 -3.555 0.439 -7.886
44 HB3 SER 7 HB1 SER 7 -2.887 -0.871 -8.862
45 HG SER 7 HG SER 7 -3.160 1.696 -9.436
46 H CYS 8 HN CYS 8 -5.875 -3.026 -8.979
47 HA CYS 8 HA CYS 8 -6.514 -3.079 -6.159
48 HB2 CYS 8 HB2 CYS 8 -6.822 -5.225 -8.272
49 HB3 CYS 8 HB1 CYS 8 -7.449 -5.295 -6.634
50 H VAL 9 HN VAL 9 -5.174 -3.874 -4.664
51 HA VAL 9 HA VAL 9 -2.951 -5.461 -5.637
52 HB VAL 9 HB VAL 9 -2.303 -3.209 -4.776
53 HG11 VAL 9 HG11 VAL 9 -3.971 -2.819 -3.137
54 HG12 VAL 9 HG12 VAL 9 -2.368 -2.675 -2.420
55 HG13 VAL 9 3HG1 VAL 9 -3.337 -4.122 -2.132
56 HG21 VAL 9 HG21 VAL 9 -0.502 -3.930 -3.269
57 HG22 VAL 9 HG22 VAL 9 -0.662 -4.973 -4.681
58 HG23 VAL 9 HG23 VAL 9 -1.284 -5.503 -3.116
59 HA PRO 10 HA PRO 10 -4.758 -8.824 -3.417
60 HB2 PRO 10 HB2 PRO 10 -2.378 -10.177 -2.888
61 HB3 PRO 10 HB1 PRO 10 -3.346 -10.341 -4.354
62 HG2 PRO 10 HG2 PRO 10 -0.910 -8.695 -3.864
63 HG3 PRO 10 HG1 PRO 10 -1.387 -9.587 -5.318
64 HD2 PRO 10 HD2 PRO 10 -1.624 -6.937 -5.166
65 HD3 PRO 10 HD1 PRO 10 -2.837 -7.920 -6.013
66 H SER 11 HN SER 11 -4.789 -9.795 -1.374
67 HA SER 11 HA SER 11 -4.572 -7.994 0.745
68 HB2 SER 11 HB2 SER 11 -4.888 -10.995 0.839
69 HB3 SER 11 HB1 SER 11 -5.265 -9.855 2.133
70 HG SER 11 HG SER 11 -6.439 -9.440 -0.373
71 H GLY 12 HN GLY 12 -3.218 -7.941 2.542
72 HA2 GLY 12 HA2 GLY 12 -1.294 -8.325 3.753
73 HA3 GLY 12 HA1 GLY 12 -0.846 -9.573 2.589
74 H THR 13 HN THR 13 -1.665 -6.161 2.096
75 HA THR 13 HA THR 13 0.644 -5.871 0.404
76 HB THR 13 HB THR 13 -1.214 -3.683 1.306
77 HG1 THR 13 HG1 THR 13 -1.633 -5.785 -0.551
78 HG21 THR 13 HG21 THR 13 0.788 -3.012 0.057
79 HG22 THR 13 HG22 THR 13 -0.667 -2.733 -0.900
80 HG23 THR 13 HG23 THR 13 0.358 -4.129 -1.239
81 H CYS 14 HN CYS 14 2.054 -6.378 2.224
82 HA CYS 14 HA CYS 14 2.595 -3.987 3.818
83 HB2 CYS 14 HB2 CYS 14 3.208 -6.846 4.609
84 HB3 CYS 14 HB1 CYS 14 3.378 -5.407 5.615
85 H ALA 15 HN ALA 15 4.121 -2.996 2.891
86 HA ALA 15 HA ALA 15 6.562 -4.308 2.188
87 HB1 ALA 15 HB1 ALA 15 5.183 -4.778 0.213
88 HB2 ALA 15 HB2 ALA 15 6.515 -3.688 -0.165
89 HB3 ALA 15 HB3 ALA 15 4.881 -3.050 0.018
90 H ASP 16 HN ASP 16 7.930 -2.612 1.006
91 HA ASP 16 HA ASP 16 7.888 -0.227 2.637
92 HB2 ASP 16 HB2 ASP 16 10.211 0.016 1.860
93 HB3 ASP 16 HB1 ASP 16 9.927 -1.567 2.567
94 H PHE 17 HN PHE 17 7.375 1.681 1.869
95 HA PHE 17 HA PHE 17 7.225 2.157 -1.025
96 HB2 PHE 17 HB2 PHE 17 5.389 3.076 1.214
97 HB3 PHE 17 HB1 PHE 17 5.330 3.748 -0.405
98 HD1 PHE 17 HD1 PHE 17 4.816 0.668 1.582
99 HD2 PHE 17 HD2 PHE 17 4.140 2.646 -2.123
100 HE1 PHE 17 HE1 PHE 17 3.221 -1.093 0.938
101 HE2 PHE 17 HE2 PHE 17 2.553 0.892 -2.773
102 HZ PHE 17 HZ PHE 17 2.088 -0.983 -1.243
103 HA PRO 18 HA PRO 18 9.988 5.568 -0.327
104 HB2 PRO 18 HB2 PRO 18 8.758 7.653 -1.654
105 HB3 PRO 18 HB1 PRO 18 9.710 6.393 -2.443
106 HG2 PRO 18 HG2 PRO 18 6.738 6.593 -2.114
107 HG3 PRO 18 HG1 PRO 18 7.674 6.119 -3.544
108 HD2 PRO 18 HD2 PRO 18 6.500 4.280 -2.026
109 HD3 PRO 18 HD1 PRO 18 8.116 3.994 -2.700
110 H TRP 19 HN TRP 19 10.121 7.881 0.463
111 HA TRP 19 HA TRP 19 8.807 8.199 2.968
112 HB2 TRP 19 HB2 TRP 19 11.109 9.056 2.269
113 HB3 TRP 19 HB1 TRP 19 10.281 10.280 1.324
114 HD1 TRP 19 HD1 TRP 19 8.720 11.996 2.853
115 HE1 TRP 19 HE1 TRP 19 9.242 13.009 5.197
116 HE3 TRP 19 3HE TRP 19 12.287 8.703 4.363
117 HZ2 TRP 19 HZ2 TRP 19 10.970 12.470 7.353
118 HZ3 TRP 19 HZ3 TRP 19 13.339 9.018 6.562
119 HH2 TRP 19 2HH TRP 19 12.695 10.861 8.019
120 HA PRO 20 HA PRO 20 7.966 9.413 4.325
121 HB2 PRO 20 HB2 PRO 20 5.904 10.434 5.611
122 HB3 PRO 20 HB1 PRO 20 7.046 11.486 4.767
123 HG2 PRO 20 HG2 PRO 20 4.280 10.701 3.999
124 HG3 PRO 20 HG1 PRO 20 5.147 12.212 3.682
125 HD2 PRO 20 HD2 PRO 20 4.825 10.006 1.909
126 HD3 PRO 20 HD1 PRO 20 5.824 11.443 1.657
127 H LEU 21 HN LEU 21 6.266 7.474 2.560
128 HA LEU 21 HA LEU 21 4.357 6.445 4.432
129 HB2 LEU 21 HB2 LEU 21 5.347 5.246 1.840
130 HB3 LEU 21 HB1 LEU 21 4.073 4.563 2.822
131 HG LEU 21 HG LEU 21 2.831 6.781 2.405
132 HD11 LEU 21 HD11 LEU 21 4.818 6.944 0.154
133 HD12 LEU 21 HD12 LEU 21 4.718 8.033 1.530
134 HD13 LEU 21 HD13 LEU 21 3.393 7.966 0.366
135 HD21 LEU 21 HD21 LEU 21 2.142 4.665 1.452
136 HD22 LEU 21 HD22 LEU 21 3.317 4.845 0.150
137 HD23 LEU 21 HD23 LEU 21 1.956 5.959 0.268
138 H GLY 22 HN GLY 22 7.283 5.011 2.959
139 HA2 GLY 22 HA2 GLY 22 8.830 3.617 3.906
140 HA3 GLY 22 HA1 GLY 22 8.106 3.936 5.482
141 H HIS 23 HN HIS 23 7.703 1.955 6.284
142 HA HIS 23 HA HIS 23 6.713 -0.089 4.521
143 HB2 HIS 23 HB2 HIS 23 8.285 -0.666 6.348
144 HB3 HIS 23 HB1 HIS 23 7.068 -0.195 7.527
145 HD1 HIS 23 HD1 HIS 23 5.318 -1.961 8.131
146 HD2 HIS 23 HD2 HIS 23 7.622 -2.975 4.833
147 HE1 HIS 23 HE1 HIS 23 4.732 -4.359 7.583
148 H GLN 24 HN GLN 24 4.727 -0.251 3.984
149 HA GLN 24 HA GLN 24 2.601 0.707 5.794
150 HB2 GLN 24 HB2 GLN 24 2.539 0.324 2.785
151 HB3 GLN 24 HB1 GLN 24 1.206 0.907 3.771
152 HG2 GLN 24 HG2 GLN 24 3.852 2.307 3.468
153 HG3 GLN 24 HG1 GLN 24 2.399 2.691 2.547
154 HE21 GLN 24 1HE2 GLN 24 3.902 2.782 5.693
155 HE22 GLN 24 2HE2 GLN 24 2.801 3.917 6.381
156 H CYS 25 HN CYS 25 0.785 -0.746 6.041
157 HA CYS 25 HA CYS 25 1.146 -3.377 4.930
158 HB2 CYS 25 HB2 CYS 25 2.536 -3.413 6.963
159 HB3 CYS 25 HB1 CYS 25 1.142 -2.927 7.915
160 H PHE 26 HN PHE 26 -0.648 -3.433 3.954
161 HA PHE 26 HA PHE 26 -3.162 -2.953 5.401
162 HB2 PHE 26 HB2 PHE 26 -2.719 -3.321 2.418
163 HB3 PHE 26 HB1 PHE 26 -4.224 -2.906 3.193
164 HD1 PHE 26 HD1 PHE 26 -0.862 -1.650 2.339
165 HD2 PHE 26 HD2 PHE 26 -4.738 -0.685 3.804
166 HE1 PHE 26 HE1 PHE 26 -0.371 0.741 2.055
167 HE2 PHE 26 HE2 PHE 26 -4.255 1.692 3.527
168 HZ PHE 26 HZ PHE 26 -2.068 2.419 2.652
169 HA PRO 27 HA PRO 27 -2.639 -7.464 5.733
170 HB2 PRO 27 HB2 PRO 27 -5.172 -7.097 7.238
171 HB3 PRO 27 HB1 PRO 27 -3.713 -7.982 7.698
172 HG2 PRO 27 HG2 PRO 27 -4.228 -5.631 8.796
173 HG3 PRO 27 HG1 PRO 27 -2.576 -6.052 8.307
174 HD2 PRO 27 HD2 PRO 27 -4.553 -4.272 6.941
175 HD3 PRO 27 HD1 PRO 27 -2.804 -4.071 7.157
176 H ASP 28 HN ASP 28 -5.676 -5.841 4.889
177 HA ASP 28 HA ASP 28 -6.471 -8.281 3.463
178 HB2 ASP 28 HB2 ASP 28 -8.738 -7.422 3.370
179 HB3 ASP 28 HB1 ASP 28 -8.151 -7.347 5.021
Start of MODEL 18
1 H1 GLY 1 HN GLY 1 -5.757 -5.468 1.631
2 HA2 GLY 1 HA2 GLY 1 -5.311 -4.721 -0.525
3 HA3 GLY 1 HA1 GLY 1 -6.325 -6.017 -1.147
4 H PHE 2 HN PHE 2 -6.416 -3.361 -2.168
5 HA PHE 2 HA PHE 2 -9.204 -2.947 -1.971
6 HB2 PHE 2 HB2 PHE 2 -9.290 -0.682 -1.054
7 HB3 PHE 2 HB1 PHE 2 -8.649 -1.813 0.123
8 HD1 PHE 2 HD1 PHE 2 -7.930 1.100 -1.976
9 HD2 PHE 2 HD2 PHE 2 -6.343 -1.646 0.870
10 HE1 PHE 2 HE1 PHE 2 -6.039 2.613 -1.573
11 HE2 PHE 2 HE2 PHE 2 -4.446 -0.129 1.263
12 HZ PHE 2 HZ PHE 2 -4.296 1.996 0.048
13 H CYS 3 HN CYS 3 -9.964 -1.107 -3.257
14 HA CYS 3 HA CYS 3 -8.025 -0.375 -5.319
15 HB2 CYS 3 HB2 CYS 3 -10.961 -0.992 -5.704
16 HB3 CYS 3 HB1 CYS 3 -9.824 -0.479 -6.942
17 H TRP 4 HN TRP 4 -7.975 1.715 -5.845
18 HA TRP 4 HA TRP 4 -10.175 3.478 -5.481
19 HB2 TRP 4 HB2 TRP 4 -9.269 4.939 -3.831
20 HB3 TRP 4 HB1 TRP 4 -9.013 3.324 -3.187
21 HD1 TRP 4 HD1 TRP 4 -6.206 2.655 -4.594
22 HE1 TRP 4 HE1 TRP 4 -4.093 3.934 -3.857
23 HE3 TRP 4 3HE TRP 4 -8.429 6.734 -2.495
24 HZ2 TRP 4 HZ2 TRP 4 -3.469 6.376 -2.568
25 HZ3 TRP 4 HZ3 TRP 4 -7.011 8.490 -1.528
26 HH2 TRP 4 2HH TRP 4 -4.577 8.303 -1.563
27 H HIS 5 HN HIS 5 -9.703 5.485 -6.667
28 HA HIS 5 HA HIS 5 -8.805 6.612 -8.476
29 HB2 HIS 5 HB2 HIS 5 -6.316 5.477 -7.206
30 HB3 HIS 5 HB1 HIS 5 -6.205 6.455 -8.645
31 HD1 HIS 5 HD1 HIS 5 -5.213 8.611 -7.817
32 HD2 HIS 5 HD2 HIS 5 -8.192 7.192 -5.299
33 HE1 HIS 5 HE1 HIS 5 -5.414 10.290 -5.967
34 H HIS 6 HN HIS 6 -9.605 3.698 -8.735
35 HA HIS 6 HA HIS 6 -9.609 2.000 -10.200
36 HB2 HIS 6 HB2 HIS 6 -8.368 4.092 -11.991
37 HB3 HIS 6 HB1 HIS 6 -8.659 2.452 -12.557
38 HD1 HIS 6 HD1 HIS 6 -10.351 5.692 -12.059
39 HD2 HIS 6 HD2 HIS 6 -11.394 1.705 -12.561
40 HE1 HIS 6 HE1 HIS 6 -12.794 5.685 -12.702
41 H SER 7 HN SER 7 -7.287 2.536 -8.392
42 HA SER 7 HA SER 7 -5.355 0.764 -9.683
43 HB2 SER 7 HB2 SER 7 -4.967 2.725 -7.400
44 HB3 SER 7 HB1 SER 7 -3.705 1.784 -8.199
45 HG SER 7 HG SER 7 -5.323 3.314 -9.805
46 H CYS 8 HN CYS 8 -5.278 -1.220 -8.768
47 HA CYS 8 HA CYS 8 -6.562 -1.561 -6.161
48 HB2 CYS 8 HB2 CYS 8 -6.264 -3.502 -8.449
49 HB3 CYS 8 HB1 CYS 8 -6.870 -3.940 -6.859
50 H VAL 9 HN VAL 9 -5.317 -2.093 -4.551
51 HA VAL 9 HA VAL 9 -2.671 -3.086 -5.165
52 HB VAL 9 HB VAL 9 -2.709 -1.178 -3.618
53 HG11 VAL 9 HG11 VAL 9 -4.891 -1.449 -2.627
54 HG12 VAL 9 HG12 VAL 9 -3.655 -1.329 -1.373
55 HG13 VAL 9 3HG1 VAL 9 -4.348 -2.898 -1.782
56 HG21 VAL 9 HG21 VAL 9 -1.383 -2.095 -1.776
57 HG22 VAL 9 HG22 VAL 9 -0.932 -2.809 -3.329
58 HG23 VAL 9 HG23 VAL 9 -1.932 -3.717 -2.198
59 HA PRO 10 HA PRO 10 -4.123 -7.235 -4.455
60 HB2 PRO 10 HB2 PRO 10 -1.265 -7.811 -3.973
61 HB3 PRO 10 HB1 PRO 10 -2.367 -8.530 -5.146
62 HG2 PRO 10 HG2 PRO 10 -0.472 -6.841 -5.911
63 HG3 PRO 10 HG1 PRO 10 -2.076 -6.819 -6.663
64 HD2 PRO 10 HD2 PRO 10 -0.921 -4.968 -4.619
65 HD3 PRO 10 HD1 PRO 10 -1.947 -4.624 -6.035
66 H SER 11 HN SER 11 -4.556 -8.503 -2.772
67 HA SER 11 HA SER 11 -4.036 -7.638 -0.125
68 HB2 SER 11 HB2 SER 11 -5.082 -10.314 -1.002
69 HB3 SER 11 HB1 SER 11 -5.511 -9.361 0.420
70 HG SER 11 HG SER 11 -6.981 -8.402 -0.688
71 H GLY 12 HN GLY 12 -2.102 -8.085 0.850
72 HA2 GLY 12 HA2 GLY 12 -0.614 -9.805 1.657
73 HA3 GLY 12 HA1 GLY 12 -0.729 -10.558 0.067
74 H THR 13 HN THR 13 -0.492 -7.151 0.519
75 HA THR 13 HA THR 13 2.152 -7.226 -0.720
76 HB THR 13 HB THR 13 0.139 -4.958 -0.658
77 HG1 THR 13 HG1 THR 13 -0.715 -6.253 -2.094
78 HG21 THR 13 HG21 THR 13 2.465 -4.172 -0.845
79 HG22 THR 13 HG22 THR 13 1.606 -3.938 -2.369
80 HG23 THR 13 HG23 THR 13 2.737 -5.278 -2.191
81 H CYS 14 HN CYS 14 3.389 -7.396 1.050
82 HA CYS 14 HA CYS 14 3.317 -5.188 2.985
83 HB2 CYS 14 HB2 CYS 14 2.524 -7.339 3.971
84 HB3 CYS 14 HB1 CYS 14 4.030 -8.092 3.482
85 H ALA 15 HN ALA 15 4.993 -3.943 2.616
86 HA ALA 15 HA ALA 15 7.642 -5.050 2.330
87 HB1 ALA 15 HB1 ALA 15 6.870 -5.147 0.016
88 HB2 ALA 15 HB2 ALA 15 8.065 -3.856 0.185
89 HB3 ALA 15 HB3 ALA 15 6.351 -3.467 0.100
90 H ASP 16 HN ASP 16 9.260 -3.184 2.267
91 HA ASP 16 HA ASP 16 8.203 -1.006 3.856
92 HB2 ASP 16 HB2 ASP 16 10.553 -0.361 4.236
93 HB3 ASP 16 HB1 ASP 16 10.282 -2.042 4.671
94 H PHE 17 HN PHE 17 7.973 0.954 3.164
95 HA PHE 17 HA PHE 17 8.805 1.616 0.442
96 HB2 PHE 17 HB2 PHE 17 6.302 2.335 1.994
97 HB3 PHE 17 HB1 PHE 17 6.774 3.150 0.515
98 HD1 PHE 17 HD1 PHE 17 5.963 -0.244 1.852
99 HD2 PHE 17 HD2 PHE 17 5.991 2.357 -1.509
100 HE1 PHE 17 HE1 PHE 17 4.694 -1.904 0.565
101 HE2 PHE 17 HE2 PHE 17 4.730 0.700 -2.806
102 HZ PHE 17 HZ PHE 17 4.077 -1.438 -1.773
103 HA PRO 18 HA PRO 18 11.145 4.918 2.195
104 HB2 PRO 18 HB2 PRO 18 10.476 7.029 0.542
105 HB3 PRO 18 HB1 PRO 18 11.658 5.781 0.139
106 HG2 PRO 18 HG2 PRO 18 8.781 5.989 -0.658
107 HG3 PRO 18 HG1 PRO 18 10.181 5.502 -1.631
108 HD2 PRO 18 HD2 PRO 18 8.489 3.695 -0.645
109 HD3 PRO 18 HD1 PRO 18 10.233 3.371 -0.713
110 H TRP 19 HN TRP 19 10.989 7.134 3.075
111 HA TRP 19 HA TRP 19 8.825 7.364 4.904
112 HB2 TRP 19 HB2 TRP 19 11.212 8.082 5.246
113 HB3 TRP 19 HB1 TRP 19 10.910 9.408 4.134
114 HD1 TRP 19 HD1 TRP 19 9.080 11.194 4.962
115 HE1 TRP 19 HE1 TRP 19 8.563 12.067 7.363
116 HE3 TRP 19 3HE TRP 19 11.175 7.430 7.626
117 HZ2 TRP 19 HZ2 TRP 19 9.015 11.230 10.010
118 HZ3 TRP 19 HZ3 TRP 19 11.107 7.522 10.080
119 HH2 TRP 19 2HH TRP 19 10.046 9.390 11.240
120 HA PRO 20 HA PRO 20 7.539 8.368 5.936
121 HB2 PRO 20 HB2 PRO 20 4.986 9.413 6.225
122 HB3 PRO 20 HB1 PRO 20 6.486 10.269 6.577
123 HG2 PRO 20 HG2 PRO 20 4.621 10.901 4.541
124 HG3 PRO 20 HG1 PRO 20 6.232 11.598 4.758
125 HD2 PRO 20 HD2 PRO 20 5.351 9.383 2.956
126 HD3 PRO 20 HD1 PRO 20 6.586 10.637 2.687
127 H LEU 21 HN LEU 21 6.624 6.784 3.410
128 HA LEU 21 HA LEU 21 4.049 5.795 4.039
129 HB2 LEU 21 HB2 LEU 21 6.165 4.639 2.217
130 HB3 LEU 21 HB1 LEU 21 4.568 3.956 2.398
131 HG LEU 21 HG LEU 21 3.690 6.206 1.546
132 HD11 LEU 21 HD11 LEU 21 5.684 7.540 1.817
133 HD12 LEU 21 HD12 LEU 21 5.182 7.505 0.127
134 HD13 LEU 21 HD13 LEU 21 6.545 6.523 0.663
135 HD21 LEU 21 HD21 LEU 21 3.641 4.172 0.224
136 HD22 LEU 21 HD22 LEU 21 5.297 4.466 -0.313
137 HD23 LEU 21 HD23 LEU 21 4.008 5.570 -0.783
138 H GLY 22 HN GLY 22 7.299 4.301 4.363
139 HA2 GLY 22 HA2 GLY 22 8.058 3.078 6.143
140 HA3 GLY 22 HA1 GLY 22 6.474 3.219 6.903
141 H HIS 23 HN HIS 23 6.141 1.099 7.389
142 HA HIS 23 HA HIS 23 6.476 -0.790 5.215
143 HB2 HIS 23 HB2 HIS 23 6.014 -1.270 8.165
144 HB3 HIS 23 HB1 HIS 23 5.967 -2.558 6.967
145 HD1 HIS 23 HD1 HIS 23 8.200 -3.756 6.696
146 HD2 HIS 23 HD2 HIS 23 8.608 0.183 7.957
147 HE1 HIS 23 HE1 HIS 23 10.638 -3.417 7.057
148 H GLN 24 HN GLN 24 4.987 -0.737 3.930
149 HA GLN 24 HA GLN 24 2.232 -0.435 4.792
150 HB2 GLN 24 HB2 GLN 24 3.456 -0.369 2.035
151 HB3 GLN 24 HB1 GLN 24 1.747 -0.143 2.380
152 HG2 GLN 24 HG2 GLN 24 3.955 1.625 3.413
153 HG3 GLN 24 HG1 GLN 24 2.949 1.953 2.001
154 HE21 GLN 24 1HE2 GLN 24 0.871 2.611 2.274
155 HE22 GLN 24 2HE2 GLN 24 0.214 3.090 3.792
156 H CYS 25 HN CYS 25 1.178 -2.168 5.171
157 HA CYS 25 HA CYS 25 1.644 -4.540 3.537
158 HB2 CYS 25 HB2 CYS 25 1.377 -4.564 6.556
159 HB3 CYS 25 HB1 CYS 25 1.551 -5.978 5.521
160 H PHE 26 HN PHE 26 -0.073 -4.711 2.470
161 HA PHE 26 HA PHE 26 -2.683 -4.082 3.680
162 HB2 PHE 26 HB2 PHE 26 -2.026 -4.437 0.749
163 HB3 PHE 26 HB1 PHE 26 -3.484 -3.739 1.435
164 HD1 PHE 26 HD1 PHE 26 -0.114 -3.130 0.317
165 HD2 PHE 26 HD2 PHE 26 -3.328 -1.512 2.584
166 HE1 PHE 26 HE1 PHE 26 0.898 -0.909 0.149
167 HE2 PHE 26 HE2 PHE 26 -2.311 0.721 2.413
168 HZ PHE 26 HZ PHE 26 -0.207 1.024 1.201
169 HA PRO 27 HA PRO 27 -2.902 -8.622 3.267
170 HB2 PRO 27 HB2 PRO 27 -4.365 -9.127 5.449
171 HB3 PRO 27 HB1 PRO 27 -2.644 -8.745 5.547
172 HG2 PRO 27 HG2 PRO 27 -4.999 -7.019 6.108
173 HG3 PRO 27 HG1 PRO 27 -3.439 -7.085 6.946
174 HD2 PRO 27 HD2 PRO 27 -4.183 -5.199 5.038
175 HD3 PRO 27 HD1 PRO 27 -2.518 -5.558 5.528
176 H ASP 28 HN ASP 28 -5.516 -6.314 3.576
177 HA ASP 28 HA ASP 28 -7.451 -8.291 2.640
178 HB2 ASP 28 HB2 ASP 28 -7.816 -5.450 3.608
179 HB3 ASP 28 HB1 ASP 28 -9.108 -6.358 2.845
Start of MODEL 19
1 H1 GLY 1 HN GLY 1 -6.193 -8.146 -1.361
2 HA2 GLY 1 HA2 GLY 1 -5.778 -5.273 -1.036
3 HA3 GLY 1 HA1 GLY 1 -5.353 -6.234 -2.448
4 H PHE 2 HN PHE 2 -6.617 -3.964 -2.942
5 HA PHE 2 HA PHE 2 -8.996 -4.669 -4.212
6 HB2 PHE 2 HB2 PHE 2 -10.681 -3.473 -2.906
7 HB3 PHE 2 HB1 PHE 2 -9.909 -4.652 -1.866
8 HD1 PHE 2 HD1 PHE 2 -11.072 -1.391 -2.082
9 HD2 PHE 2 HD2 PHE 2 -7.841 -3.639 -0.467
10 HE1 PHE 2 HE1 PHE 2 -10.650 0.391 -0.454
11 HE2 PHE 2 HE2 PHE 2 -7.414 -1.853 1.162
12 HZ PHE 2 HZ PHE 2 -8.824 0.171 1.162
13 H CYS 3 HN CYS 3 -10.202 -2.279 -4.583
14 HA CYS 3 HA CYS 3 -7.987 -0.651 -5.559
15 HB2 CYS 3 HB2 CYS 3 -10.841 -0.770 -6.550
16 HB3 CYS 3 HB1 CYS 3 -9.524 0.157 -7.259
17 H TRP 4 HN TRP 4 -7.600 1.127 -4.523
18 HA TRP 4 HA TRP 4 -9.769 2.755 -3.519
19 HB2 TRP 4 HB2 TRP 4 -8.957 2.904 -1.291
20 HB3 TRP 4 HB1 TRP 4 -8.908 1.194 -1.693
21 HD1 TRP 4 HD1 TRP 4 -6.005 1.078 -3.082
22 HE1 TRP 4 HE1 TRP 4 -3.903 1.424 -1.639
23 HE3 TRP 4 3HE TRP 4 -8.134 3.458 0.901
24 HZ2 TRP 4 HZ2 TRP 4 -3.243 2.567 0.860
25 HZ3 TRP 4 HZ3 TRP 4 -6.692 4.136 2.774
26 HH2 TRP 4 2HH TRP 4 -4.299 3.691 2.745
27 H HIS 5 HN HIS 5 -9.024 5.011 -3.298
28 HA HIS 5 HA HIS 5 -7.832 6.834 -3.991
29 HB2 HIS 5 HB2 HIS 5 -5.589 4.859 -3.586
30 HB3 HIS 5 HB1 HIS 5 -5.245 6.476 -4.143
31 HD1 HIS 5 HD1 HIS 5 -4.154 7.533 -2.118
32 HD2 HIS 5 HD2 HIS 5 -7.558 5.375 -1.129
33 HE1 HIS 5 HE1 HIS 5 -4.526 7.899 0.341
34 H HIS 6 HN HIS 6 -8.899 4.830 -5.889
35 HA HIS 6 HA HIS 6 -9.068 4.384 -8.100
36 HB2 HIS 6 HB2 HIS 6 -8.884 6.866 -8.360
37 HB3 HIS 6 HB1 HIS 6 -7.145 6.731 -8.445
38 HD1 HIS 6 HD1 HIS 6 -6.304 6.893 -10.828
39 HD2 HIS 6 HD2 HIS 6 -10.129 5.279 -10.592
40 HE1 HIS 6 HE1 HIS 6 -7.056 6.571 -13.193
41 H SER 7 HN SER 7 -6.752 3.376 -6.319
42 HA SER 7 HA SER 7 -5.075 2.312 -8.469
43 HB2 SER 7 HB2 SER 7 -3.854 3.869 -6.976
44 HB3 SER 7 HB1 SER 7 -4.363 2.928 -5.580
45 HG SER 7 HG SER 7 -2.802 1.921 -7.723
46 H CYS 8 HN CYS 8 -4.997 0.117 -8.557
47 HA CYS 8 HA CYS 8 -6.469 -1.312 -6.503
48 HB2 CYS 8 HB2 CYS 8 -5.655 -2.158 -9.286
49 HB3 CYS 8 HB1 CYS 8 -6.545 -3.167 -8.147
50 H VAL 9 HN VAL 9 -5.396 -2.158 -4.969
51 HA VAL 9 HA VAL 9 -2.622 -2.870 -5.410
52 HB VAL 9 HB VAL 9 -2.939 -1.353 -3.524
53 HG11 VAL 9 HG11 VAL 9 -5.239 -1.808 -2.948
54 HG12 VAL 9 HG12 VAL 9 -4.209 -1.949 -1.522
55 HG13 VAL 9 3HG1 VAL 9 -4.790 -3.400 -2.336
56 HG21 VAL 9 HG21 VAL 9 -1.884 -2.637 -1.716
57 HG22 VAL 9 HG22 VAL 9 -1.167 -3.004 -3.286
58 HG23 VAL 9 HG23 VAL 9 -2.302 -4.133 -2.550
59 HA PRO 10 HA PRO 10 -4.024 -7.131 -5.574
60 HB2 PRO 10 HB2 PRO 10 -1.160 -7.764 -5.319
61 HB3 PRO 10 HB1 PRO 10 -2.282 -8.155 -6.626
62 HG2 PRO 10 HG2 PRO 10 -0.379 -6.313 -6.954
63 HG3 PRO 10 HG1 PRO 10 -1.986 -6.108 -7.671
64 HD2 PRO 10 HD2 PRO 10 -0.840 -4.873 -5.200
65 HD3 PRO 10 HD1 PRO 10 -1.802 -4.149 -6.516
66 H SER 11 HN SER 11 -4.225 -8.865 -4.203
67 HA SER 11 HA SER 11 -3.903 -8.418 -1.430
68 HB2 SER 11 HB2 SER 11 -4.643 -10.937 -2.938
69 HB3 SER 11 HB1 SER 11 -4.906 -10.627 -1.220
70 HG SER 11 HG SER 11 -6.782 -10.240 -2.508
71 H GLY 12 HN GLY 12 -2.034 -8.687 -0.324
72 HA2 GLY 12 HA2 GLY 12 -0.466 -10.334 0.474
73 HA3 GLY 12 HA1 GLY 12 -0.220 -10.823 -1.200
74 H THR 13 HN THR 13 -0.630 -7.641 -1.391
75 HA THR 13 HA THR 13 2.175 -7.173 -1.715
76 HB THR 13 HB THR 13 -0.098 -5.188 -1.940
77 HG1 THR 13 HG1 THR 13 -0.603 -6.604 -3.416
78 HG21 THR 13 HG21 THR 13 1.459 -3.997 -3.426
79 HG22 THR 13 HG22 THR 13 2.685 -5.230 -3.137
80 HG23 THR 13 HG23 THR 13 2.150 -4.192 -1.816
81 H CYS 14 HN CYS 14 3.236 -7.013 0.138
82 HA CYS 14 HA CYS 14 2.437 -4.823 1.888
83 HB2 CYS 14 HB2 CYS 14 3.625 -7.459 2.784
84 HB3 CYS 14 HB1 CYS 14 3.284 -6.085 3.833
85 H ALA 15 HN ALA 15 3.877 -3.306 1.992
86 HA ALA 15 HA ALA 15 6.688 -3.860 1.922
87 HB1 ALA 15 HB1 ALA 15 6.151 -3.764 -0.479
88 HB2 ALA 15 HB2 ALA 15 7.126 -2.382 0.017
89 HB3 ALA 15 HB3 ALA 15 5.393 -2.188 -0.241
90 H ASP 16 HN ASP 16 7.684 -2.349 3.159
91 HA ASP 16 HA ASP 16 6.070 -0.105 4.032
92 HB2 ASP 16 HB2 ASP 16 7.729 0.210 5.780
93 HB3 ASP 16 HB1 ASP 16 7.245 -1.478 5.755
94 H PHE 17 HN PHE 17 6.724 1.971 3.760
95 HA PHE 17 HA PHE 17 8.936 2.417 1.898
96 HB2 PHE 17 HB2 PHE 17 6.270 3.865 1.937
97 HB3 PHE 17 HB1 PHE 17 7.585 4.137 0.788
98 HD1 PHE 17 HD1 PHE 17 4.672 2.205 1.661
99 HD2 PHE 17 HD2 PHE 17 8.054 2.376 -0.904
100 HE1 PHE 17 HE1 PHE 17 3.618 0.565 0.175
101 HE2 PHE 17 HE2 PHE 17 7.002 0.739 -2.394
102 HZ PHE 17 HZ PHE 17 4.774 -0.174 -1.852
103 HA PRO 18 HA PRO 18 9.646 4.209 6.041
104 HB2 PRO 18 HB2 PRO 18 12.237 4.789 4.692
105 HB3 PRO 18 HB1 PRO 18 11.931 4.126 6.299
106 HG2 PRO 18 HG2 PRO 18 12.684 2.520 4.341
107 HG3 PRO 18 HG1 PRO 18 11.418 2.013 5.474
108 HD2 PRO 18 HD2 PRO 18 11.166 2.985 2.663
109 HD3 PRO 18 HD1 PRO 18 10.258 1.710 3.504
110 H TRP 19 HN TRP 19 11.430 6.060 3.577
111 HA TRP 19 HA TRP 19 10.280 8.375 4.873
112 HB2 TRP 19 HB2 TRP 19 12.685 8.245 5.114
113 HB3 TRP 19 HB1 TRP 19 12.879 8.162 3.367
114 HD1 TRP 19 HD1 TRP 19 11.344 10.643 5.929
115 HE1 TRP 19 HE1 TRP 19 11.873 13.030 5.144
116 HE3 TRP 19 3HE TRP 19 13.761 9.539 1.566
117 HZ2 TRP 19 HZ2 TRP 19 13.146 14.287 2.963
118 HZ3 TRP 19 HZ3 TRP 19 14.602 11.395 0.184
119 HH2 TRP 19 2HH TRP 19 14.298 13.718 0.872
120 HA PRO 20 HA PRO 20 8.828 9.400 4.899
121 HB2 PRO 20 HB2 PRO 20 7.484 11.609 4.155
122 HB3 PRO 20 HB1 PRO 20 9.236 11.631 4.387
123 HG2 PRO 20 HG2 PRO 20 7.785 12.033 1.934
124 HG3 PRO 20 HG1 PRO 20 9.536 12.042 2.183
125 HD2 PRO 20 HD2 PRO 20 7.771 9.813 1.278
126 HD3 PRO 20 HD1 PRO 20 9.466 10.151 0.853
127 H LEU 21 HN LEU 21 7.533 7.244 3.942
128 HA LEU 21 HA LEU 21 4.795 8.187 3.476
129 HB2 LEU 21 HB2 LEU 21 6.051 5.613 2.620
130 HB3 LEU 21 HB1 LEU 21 4.343 5.948 2.464
131 HG LEU 21 HG LEU 21 5.241 6.184 0.340
132 HD11 LEU 21 HD11 LEU 21 5.036 8.956 1.428
133 HD12 LEU 21 HD12 LEU 21 3.730 7.949 0.803
134 HD13 LEU 21 HD13 LEU 21 4.999 8.520 -0.281
135 HD21 LEU 21 HD21 LEU 21 7.595 6.203 0.788
136 HD22 LEU 21 HD22 LEU 21 7.486 7.797 1.513
137 HD23 LEU 21 HD23 LEU 21 7.212 7.602 -0.220
138 H GLY 22 HN GLY 22 5.984 4.994 4.463
139 HA2 GLY 22 HA2 GLY 22 5.456 4.746 7.033
140 HA3 GLY 22 HA1 GLY 22 3.821 4.852 6.379
141 H HIS 23 HN HIS 23 3.401 2.687 6.998
142 HA HIS 23 HA HIS 23 4.846 0.671 5.404
143 HB2 HIS 23 HB2 HIS 23 3.490 0.386 8.097
144 HB3 HIS 23 HB1 HIS 23 3.994 -0.987 7.131
145 HD1 HIS 23 HD1 HIS 23 5.816 -1.885 8.704
146 HD2 HIS 23 HD2 HIS 23 6.281 2.142 7.771
147 HE1 HIS 23 HE1 HIS 23 8.001 -1.209 9.701
148 H GLN 24 HN GLN 24 3.649 -0.451 3.904
149 HA GLN 24 HA GLN 24 0.742 -0.344 4.235
150 HB2 GLN 24 HB2 GLN 24 2.339 -0.332 1.680
151 HB3 GLN 24 HB1 GLN 24 0.603 -0.545 1.741
152 HG2 GLN 24 HG2 GLN 24 0.531 1.718 2.896
153 HG3 GLN 24 HG1 GLN 24 2.220 1.881 2.407
154 HE21 GLN 24 1HE2 GLN 24 -1.034 1.699 1.360
155 HE22 GLN 24 2HE2 GLN 24 -0.785 2.207 -0.280
156 H CYS 25 HN CYS 25 -0.108 -2.271 4.585
157 HA CYS 25 HA CYS 25 0.972 -4.509 3.100
158 HB2 CYS 25 HB2 CYS 25 2.004 -4.663 5.328
159 HB3 CYS 25 HB1 CYS 25 0.419 -4.582 6.077
160 H PHE 26 HN PHE 26 -0.551 -5.343 1.971
161 HA PHE 26 HA PHE 26 -3.287 -5.263 3.021
162 HB2 PHE 26 HB2 PHE 26 -2.366 -5.035 0.150
163 HB3 PHE 26 HB1 PHE 26 -4.037 -5.221 0.648
164 HD1 PHE 26 HD1 PHE 26 -1.129 -2.959 0.658
165 HD2 PHE 26 HD2 PHE 26 -5.295 -3.373 1.421
166 HE1 PHE 26 HE1 PHE 26 -1.347 -0.517 0.773
167 HE2 PHE 26 HE2 PHE 26 -5.512 -0.923 1.541
168 HZ PHE 26 HZ PHE 26 -3.548 0.498 1.218
169 HA PRO 27 HA PRO 27 -2.366 -9.763 2.518
170 HB2 PRO 27 HB2 PRO 27 -4.712 -9.820 4.353
171 HB3 PRO 27 HB1 PRO 27 -3.171 -10.673 4.501
172 HG2 PRO 27 HG2 PRO 27 -3.736 -8.606 6.087
173 HG3 PRO 27 HG1 PRO 27 -2.099 -8.839 5.446
174 HD2 PRO 27 HD2 PRO 27 -4.229 -6.935 4.544
175 HD3 PRO 27 HD1 PRO 27 -2.482 -6.674 4.716
176 H ASP 28 HN ASP 28 -5.256 -7.865 2.614
177 HA ASP 28 HA ASP 28 -6.417 -9.357 0.379
178 HB2 ASP 28 HB2 ASP 28 -7.772 -9.596 2.455
179 HB3 ASP 28 HB1 ASP 28 -7.839 -7.846 2.601
Start of MODEL 20
1 H1 GLY 1 HN GLY 1 -5.196 -5.586 0.585
2 HA2 GLY 1 HA2 GLY 1 -4.693 -5.053 -1.604
3 HA3 GLY 1 HA1 GLY 1 -5.619 -6.428 -2.182
4 H PHE 2 HN PHE 2 -5.641 -3.483 -2.774
5 HA PHE 2 HA PHE 2 -8.513 -3.227 -2.714
6 HB2 PHE 2 HB2 PHE 2 -8.487 -0.958 -1.791
7 HB3 PHE 2 HB1 PHE 2 -7.814 -2.087 -0.628
8 HD1 PHE 2 HD1 PHE 2 -7.227 0.860 -2.644
9 HD2 PHE 2 HD2 PHE 2 -5.345 -2.102 -0.242
10 HE1 PHE 2 HE1 PHE 2 -5.248 2.294 -2.437
11 HE2 PHE 2 HE2 PHE 2 -3.364 -0.674 -0.033
12 HZ PHE 2 HZ PHE 2 -3.307 1.526 -1.124
13 H CYS 3 HN CYS 3 -9.237 -1.817 -4.344
14 HA CYS 3 HA CYS 3 -7.122 -0.717 -6.000
15 HB2 CYS 3 HB2 CYS 3 -8.068 -2.732 -7.108
16 HB3 CYS 3 HB1 CYS 3 -9.673 -2.013 -7.008
17 H TRP 4 HN TRP 4 -7.319 1.359 -6.268
18 HA TRP 4 HA TRP 4 -9.934 2.547 -6.128
19 HB2 TRP 4 HB2 TRP 4 -9.520 3.922 -4.268
20 HB3 TRP 4 HB1 TRP 4 -8.888 2.354 -3.782
21 HD1 TRP 4 HD1 TRP 4 -5.923 2.689 -5.092
22 HE1 TRP 4 HE1 TRP 4 -4.286 4.377 -4.064
23 HE3 TRP 4 3HE TRP 4 -9.251 5.556 -2.506
24 HZ2 TRP 4 HZ2 TRP 4 -4.410 6.639 -2.377
25 HZ3 TRP 4 HZ3 TRP 4 -8.402 7.452 -1.186
26 HH2 TRP 4 2HH TRP 4 -6.026 7.967 -1.124
27 H HIS 5 HN HIS 5 -9.935 4.552 -7.230
28 HA HIS 5 HA HIS 5 -9.217 6.146 -8.749
29 HB2 HIS 5 HB2 HIS 5 -6.602 5.698 -7.282
30 HB3 HIS 5 HB1 HIS 5 -6.797 6.935 -8.506
31 HD1 HIS 5 HD1 HIS 5 -6.768 9.082 -7.220
32 HD2 HIS 5 HD2 HIS 5 -9.068 6.185 -5.349
33 HE1 HIS 5 HE1 HIS 5 -7.701 10.164 -5.138
34 H HIS 6 HN HIS 6 -9.091 3.288 -9.314
35 HA HIS 6 HA HIS 6 -8.657 1.865 -10.954
36 HB2 HIS 6 HB2 HIS 6 -7.371 4.231 -12.350
37 HB3 HIS 6 HB1 HIS 6 -7.564 2.648 -13.097
38 HD1 HIS 6 HD1 HIS 6 -9.915 2.034 -13.941
39 HD2 HIS 6 HD2 HIS 6 -9.740 5.694 -11.987
40 HE1 HIS 6 HE1 HIS 6 -12.140 3.163 -14.363
41 H SER 7 HN SER 7 -6.583 2.779 -8.810
42 HA SER 7 HA SER 7 -4.293 1.373 -9.928
43 HB2 SER 7 HB2 SER 7 -4.549 2.957 -7.352
44 HB3 SER 7 HB1 SER 7 -3.055 2.342 -8.060
45 HG SER 7 HG SER 7 -3.950 3.694 -9.973
46 H CYS 8 HN CYS 8 -4.684 -0.748 -9.668
47 HA CYS 8 HA CYS 8 -6.025 -1.669 -7.272
48 HB2 CYS 8 HB2 CYS 8 -5.204 -3.236 -9.719
49 HB3 CYS 8 HB1 CYS 8 -6.198 -3.819 -8.396
50 H VAL 9 HN VAL 9 -4.872 -2.111 -5.579
51 HA VAL 9 HA VAL 9 -2.075 -2.814 -5.819
52 HB VAL 9 HB VAL 9 -3.813 -2.142 -3.409
53 HG11 VAL 9 HG11 VAL 9 -1.912 -3.534 -2.788
54 HG12 VAL 9 HG12 VAL 9 -1.722 -1.891 -2.176
55 HG13 VAL 9 3HG1 VAL 9 -0.819 -2.413 -3.598
56 HG21 VAL 9 HG21 VAL 9 -2.651 0.017 -3.400
57 HG22 VAL 9 HG22 VAL 9 -3.559 -0.231 -4.892
58 HG23 VAL 9 HG23 VAL 9 -1.808 -0.435 -4.881
59 HA PRO 10 HA PRO 10 -3.616 -7.008 -5.483
60 HB2 PRO 10 HB2 PRO 10 -1.244 -8.278 -5.699
61 HB3 PRO 10 HB1 PRO 10 -2.048 -7.528 -7.083
62 HG2 PRO 10 HG2 PRO 10 0.192 -6.477 -5.400
63 HG3 PRO 10 HG1 PRO 10 0.005 -6.434 -7.161
64 HD2 PRO 10 HD2 PRO 10 -0.540 -4.316 -5.555
65 HD3 PRO 10 HD1 PRO 10 -1.384 -4.602 -7.091
66 H SER 11 HN SER 11 -3.902 -8.455 -3.888
67 HA SER 11 HA SER 11 -3.125 -7.899 -1.261
68 HB2 SER 11 HB2 SER 11 -4.158 -10.190 -0.883
69 HB3 SER 11 HB1 SER 11 -5.193 -9.000 -1.676
70 HG SER 11 HG SER 11 -3.584 -10.752 -3.179
71 H GLY 12 HN GLY 12 -0.950 -8.010 -0.763
72 HA2 GLY 12 HA2 GLY 12 0.435 -10.095 -0.059
73 HA3 GLY 12 HA1 GLY 12 0.566 -10.266 -1.805
74 H THR 13 HN THR 13 0.495 -7.245 -1.982
75 HA THR 13 HA THR 13 3.321 -7.016 -1.767
76 HB THR 13 HB THR 13 2.267 -6.007 -3.724
77 HG1 THR 13 HG1 THR 13 2.981 -3.661 -3.101
78 HG21 THR 13 HG21 THR 13 0.905 -4.126 -1.796
79 HG22 THR 13 HG22 THR 13 0.113 -5.375 -2.755
80 HG23 THR 13 HG23 THR 13 0.870 -3.998 -3.554
81 H CYS 14 HN CYS 14 4.334 -6.487 -0.110
82 HA CYS 14 HA CYS 14 3.233 -4.566 1.774
83 HB2 CYS 14 HB2 CYS 14 4.670 -7.139 2.521
84 HB3 CYS 14 HB1 CYS 14 4.084 -5.924 3.654
85 H ALA 15 HN ALA 15 4.502 -2.887 1.567
86 HA ALA 15 HA ALA 15 7.382 -3.303 1.338
87 HB1 ALA 15 HB1 ALA 15 7.534 -1.735 -0.503
88 HB2 ALA 15 HB2 ALA 15 5.784 -1.529 -0.495
89 HB3 ALA 15 HB3 ALA 15 6.481 -3.084 -0.940
90 H ASP 16 HN ASP 16 8.536 -1.219 1.581
91 HA ASP 16 HA ASP 16 7.211 0.348 3.615
92 HB2 ASP 16 HB2 ASP 16 9.474 1.241 4.129
93 HB3 ASP 16 HB1 ASP 16 9.383 -0.504 4.294
94 H PHE 17 HN PHE 17 6.548 2.222 3.320
95 HA PHE 17 HA PHE 17 7.081 3.579 0.780
96 HB2 PHE 17 HB2 PHE 17 4.691 3.673 2.657
97 HB3 PHE 17 HB1 PHE 17 4.871 4.741 1.275
98 HD1 PHE 17 HD1 PHE 17 4.524 1.185 2.263
99 HD2 PHE 17 HD2 PHE 17 4.233 4.026 -0.890
100 HE1 PHE 17 HE1 PHE 17 3.460 -0.510 0.840
101 HE2 PHE 17 HE2 PHE 17 3.167 2.324 -2.312
102 HZ PHE 17 HZ PHE 17 2.782 0.064 -1.458
103 HA PRO 18 HA PRO 18 9.262 7.068 2.339
104 HB2 PRO 18 HB2 PRO 18 7.063 8.938 2.169
105 HB3 PRO 18 HB1 PRO 18 8.506 8.834 1.161
106 HG2 PRO 18 HG2 PRO 18 5.807 7.752 0.682
107 HG3 PRO 18 HG1 PRO 18 7.104 8.095 -0.472
108 HD2 PRO 18 HD2 PRO 18 6.399 5.585 0.121
109 HD3 PRO 18 HD1 PRO 18 8.096 6.020 -0.162
110 H TRP 19 HN TRP 19 9.765 7.282 4.352
111 HA TRP 19 HA TRP 19 8.243 6.833 6.652
112 HB2 TRP 19 HB2 TRP 19 10.796 7.017 6.301
113 HB3 TRP 19 HB1 TRP 19 10.563 8.746 6.510
114 HD1 TRP 19 HD1 TRP 19 9.789 9.554 8.893
115 HE1 TRP 19 HE1 TRP 19 10.049 8.466 11.266
116 HE3 TRP 19 3HE TRP 19 10.793 4.826 7.452
117 HZ2 TRP 19 HZ2 TRP 19 10.598 5.908 12.304
118 HZ3 TRP 19 HZ3 TRP 19 11.168 3.087 9.164
119 HH2 TRP 19 2HH TRP 19 11.073 3.628 11.540
120 HA PRO 20 HA PRO 20 7.796 7.363 8.643
121 HB2 PRO 20 HB2 PRO 20 5.836 7.946 10.281
122 HB3 PRO 20 HB1 PRO 20 7.238 9.019 10.152
123 HG2 PRO 20 HG2 PRO 20 4.510 9.320 8.976
124 HG3 PRO 20 HG1 PRO 20 5.546 10.554 9.710
125 HD2 PRO 20 HD2 PRO 20 5.289 10.034 6.964
126 HD3 PRO 20 HD1 PRO 20 6.589 10.972 7.723
127 H LEU 21 HN LEU 21 5.843 7.264 6.069
128 HA LEU 21 HA LEU 21 3.587 5.795 6.875
129 HB2 LEU 21 HB2 LEU 21 5.141 5.580 4.285
130 HB3 LEU 21 HB1 LEU 21 3.565 4.871 4.557
131 HG LEU 21 HG LEU 21 4.153 7.837 4.572
132 HD11 LEU 21 HD11 LEU 21 4.406 6.888 2.350
133 HD12 LEU 21 HD12 LEU 21 2.944 7.870 2.445
134 HD13 LEU 21 HD13 LEU 21 2.830 6.111 2.487
135 HD21 LEU 21 HD21 LEU 21 2.263 7.247 5.998
136 HD22 LEU 21 HD22 LEU 21 1.542 6.327 4.678
137 HD23 LEU 21 HD23 LEU 21 1.712 8.076 4.543
138 H GLY 22 HN GLY 22 6.705 4.606 5.660
139 HA2 GLY 22 HA2 GLY 22 7.967 2.868 6.461
140 HA3 GLY 22 HA1 GLY 22 6.775 2.648 7.729
141 H HIS 23 HN HIS 23 6.746 0.470 7.540
142 HA HIS 23 HA HIS 23 6.349 -0.808 5.022
143 HB2 HIS 23 HB2 HIS 23 7.669 -1.870 6.805
144 HB3 HIS 23 HB1 HIS 23 6.230 -1.958 7.815
145 HD1 HIS 23 HD1 HIS 23 4.948 -4.115 7.631
146 HD2 HIS 23 HD2 HIS 23 7.391 -3.421 4.344
147 HE1 HIS 23 HE1 HIS 23 4.810 -6.188 6.215
148 H GLN 24 HN GLN 24 4.551 -0.748 4.048
149 HA GLN 24 HA GLN 24 2.060 -0.965 5.557
150 HB2 GLN 24 HB2 GLN 24 2.553 0.100 2.774
151 HB3 GLN 24 HB1 GLN 24 0.978 -0.054 3.535
152 HG2 GLN 24 HG2 GLN 24 3.223 1.699 4.506
153 HG3 GLN 24 HG1 GLN 24 1.810 2.212 3.580
154 HE21 GLN 24 1HE2 GLN 24 2.785 2.887 6.292
155 HE22 GLN 24 2HE2 GLN 24 1.432 2.661 7.313
156 H CYS 25 HN CYS 25 1.409 -2.914 5.557
157 HA CYS 25 HA CYS 25 2.099 -4.676 3.337
158 HB2 CYS 25 HB2 CYS 25 2.794 -5.319 5.664
159 HB3 CYS 25 HB1 CYS 25 1.095 -5.399 6.096
160 H PHE 26 HN PHE 26 0.534 -5.134 1.930
161 HA PHE 26 HA PHE 26 -2.217 -4.713 2.832
162 HB2 PHE 26 HB2 PHE 26 -1.131 -4.469 0.015
163 HB3 PHE 26 HB1 PHE 26 -2.786 -4.165 0.513
164 HD1 PHE 26 HD1 PHE 26 0.443 -2.766 0.002
165 HD2 PHE 26 HD2 PHE 26 -3.177 -2.235 2.169
166 HE1 PHE 26 HE1 PHE 26 1.018 -0.403 0.374
167 HE2 PHE 26 HE2 PHE 26 -2.612 0.133 2.542
168 HZ PHE 26 HZ PHE 26 -0.512 1.051 1.643
169 HA PRO 27 HA PRO 27 -2.004 -9.176 1.701
170 HB2 PRO 27 HB2 PRO 27 -3.493 -9.716 4.120
171 HB3 PRO 27 HB1 PRO 27 -1.841 -10.193 3.728
172 HG2 PRO 27 HG2 PRO 27 -2.451 -8.393 5.685
173 HG3 PRO 27 HG1 PRO 27 -0.925 -8.373 4.786
174 HD2 PRO 27 HD2 PRO 27 -3.394 -6.736 4.360
175 HD3 PRO 27 HD1 PRO 27 -1.691 -6.215 4.362
176 H ASP 28 HN ASP 28 -4.362 -6.902 2.408
177 HA ASP 28 HA ASP 28 -6.620 -8.615 1.743
178 HB2 ASP 28 HB2 ASP 28 -6.528 -5.677 2.477
179 HB3 ASP 28 HB1 ASP 28 -7.998 -6.568 2.126