Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
13526 | 1v28 RC | 5986 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 1HT GLU 1 4.263 12.155 10.040
2 2H GLU 1 2HT GLU 1 4.017 13.831 9.910
3 3H GLU 1 3HT GLU 1 4.003 13.083 11.436
4 HA GLU 1 HA GLU 1 6.147 14.336 10.416
5 1HB GLU 1 2HB GLU 1 7.311 13.041 12.215
6 2HB GLU 1 1HB GLU 1 5.730 13.633 12.726
7 1HG GLU 1 2HG GLU 1 5.483 11.449 13.390
8 2HG GLU 1 1HG GLU 1 4.981 11.257 11.709
9 H ASN 2 H ASN 2 5.169 12.388 8.346
10 HA ASN 2 HA ASN 2 7.702 11.577 7.269
11 1HB ASN 2 2HB ASN 2 6.521 9.912 9.299
12 2HB ASN 2 1HB ASN 2 6.533 9.031 7.770
13 1HD2 ASN 2 1HD2 ASN 2 8.642 8.645 6.739
14 2HD2 ASN 2 2HD2 ASN 2 10.083 8.789 7.625
15 H PHE 3 H PHE 3 6.994 12.095 5.202
16 HA PHE 3 HA PHE 3 5.062 10.306 3.913
17 1HB PHE 3 2HB PHE 3 3.735 12.062 5.180
18 2HB PHE 3 1HB PHE 3 4.452 13.269 4.113
19 HD1 PHE 3 1HD PHE 3 3.386 13.781 2.099
20 HD2 PHE 3 2HD PHE 3 2.632 9.991 3.973
21 HE1 PHE 3 1HE PHE 3 1.688 13.264 0.368
22 HE2 PHE 3 2HE PHE 3 0.934 9.473 2.242
23 HZ PHE 3 HZ PHE 3 0.461 11.110 0.440
24 H ALA 4 H ALA 4 6.126 9.927 2.010
25 HA ALA 4 HA ALA 4 7.284 12.274 0.551
26 1HB ALA 4 1HB ALA 4 8.624 9.628 0.349
27 2HB ALA 4 2HB ALA 4 8.757 10.442 1.907
28 3HB ALA 4 3HB ALA 4 9.333 11.240 0.443
29 H GLY 5 H GLY 5 4.844 10.240 0.407
30 1HA GLY 5 2HA GLY 5 3.624 9.204 -1.310
31 2HA GLY 5 1HA GLY 5 4.435 10.346 -2.382
32 H GLY 6 H GLY 6 4.715 8.775 -4.045
33 1HA GLY 6 2HA GLY 6 6.401 7.431 -5.124
34 2HA GLY 6 1HA GLY 6 6.983 6.934 -3.534
35 H CYS 7 H CYS 7 3.644 6.797 -3.522
36 HA CYS 7 HA CYS 7 3.729 3.845 -3.995
37 1HB CYS 7 2HB CYS 7 1.853 5.657 -2.443
38 2HB CYS 7 1HB CYS 7 1.673 3.908 -2.565
39 H ALA 8 H ALA 8 1.405 3.048 -4.718
40 HA ALA 8 HA ALA 8 0.778 4.492 -7.225
41 1HB ALA 8 1HB ALA 8 0.800 1.800 -6.225
42 2HB ALA 8 2HB ALA 8 0.575 2.345 -7.886
43 3HB ALA 8 3HB ALA 8 -0.819 2.168 -6.821
44 H THR 9 H THR 9 -1.847 3.967 -7.635
45 HA THR 9 HA THR 9 -3.330 5.988 -6.512
46 HB THR 9 HB THR 9 -4.300 4.764 -8.259
47 HG1 THR 9 1HG THR 9 -6.130 4.905 -7.280
48 1HG2 THR 9 1HG2 THR 9 -3.496 2.374 -6.631
49 2HG2 THR 9 2HG2 THR 9 -3.167 2.729 -8.326
50 3HG2 THR 9 3HG2 THR 9 -4.780 2.215 -7.829
51 H GLY 10 H GLY 10 -4.735 3.012 -5.390
52 1HA GLY 10 2HA GLY 10 -4.785 4.100 -2.653
53 2HA GLY 10 1HA GLY 10 -5.680 2.691 -3.224
54 H PHE 11 H PHE 11 -2.194 3.551 -3.095
55 HA PHE 11 HA PHE 11 -1.560 0.818 -2.189
56 1HB PHE 11 2HB PHE 11 -0.414 3.087 -3.664
57 2HB PHE 11 1HB PHE 11 0.703 2.324 -2.580
58 HD1 PHE 11 1HD PHE 11 -1.985 1.188 -4.957
59 HD2 PHE 11 2HD PHE 11 2.049 0.674 -3.577
60 HE1 PHE 11 1HE PHE 11 -1.623 -0.586 -6.647
61 HE2 PHE 11 2HE PHE 11 2.401 -1.106 -5.257
62 HZ PHE 11 HZ PHE 11 0.568 -1.730 -6.801
63 H MET 12 H MET 12 -1.388 0.589 0.050
64 HA MET 12 HA MET 12 -0.879 3.008 1.709
65 1HB MET 12 2HB MET 12 -2.720 1.084 1.921
66 2HB MET 12 1HB MET 12 -1.426 0.280 2.810
67 1HG MET 12 2HG MET 12 -2.266 3.121 3.411
68 2HG MET 12 1HG MET 12 -3.010 1.730 4.202
69 1HE MET 12 1HE MET 12 -1.132 3.967 6.188
70 2HE MET 12 2HE MET 12 -1.111 4.337 4.466
71 3HE MET 12 3HE MET 12 0.406 4.070 5.323
72 H ARG 13 H ARG 13 1.115 3.337 2.588
73 HA ARG 13 HA ARG 13 3.405 1.795 2.023
74 1HB ARG 13 2HB ARG 13 2.851 4.190 3.143
75 2HB ARG 13 1HB ARG 13 3.270 3.280 4.595
76 1HG ARG 13 2HG ARG 13 5.307 4.256 3.762
77 2HG ARG 13 1HG ARG 13 5.372 2.531 3.398
78 1HD ARG 13 2HD ARG 13 5.671 3.059 1.216
79 2HD ARG 13 1HD ARG 13 4.051 3.783 1.208
80 HE ARG 13 HE ARG 13 5.140 5.872 1.200
81 1HH1 ARG 13 1HH1 ARG 13 7.783 4.205 0.911
82 2HH1 ARG 13 2HH1 ARG 13 8.739 4.970 2.136
83 1HH2 ARG 13 1HH2 ARG 13 6.042 6.569 3.615
84 2HH2 ARG 13 2HH2 ARG 13 7.755 6.309 3.666
85 H THR 14 H THR 14 3.938 -0.230 2.735
86 HA THR 14 HA THR 14 2.560 -1.380 5.087
87 HB THR 14 HB THR 14 4.043 -3.376 4.229
88 HG1 THR 14 1HG THR 14 5.369 -2.651 2.769
89 1HG2 THR 14 1HG2 THR 14 2.389 -3.787 2.401
90 2HG2 THR 14 2HG2 THR 14 1.817 -2.131 2.596
91 3HG2 THR 14 3HG2 THR 14 1.633 -3.288 3.914
92 H ALA 15 H ALA 15 3.680 -2.087 6.961
93 HA ALA 15 HA ALA 15 5.672 -0.595 8.127
94 1HB ALA 15 1HB ALA 15 5.854 -2.383 9.661
95 2HB ALA 15 2HB ALA 15 5.622 -3.598 8.403
96 3HB ALA 15 3HB ALA 15 4.259 -2.620 8.947
97 H ASP 16 H ASP 16 6.117 -3.059 5.658
98 HA ASP 16 HA ASP 16 8.967 -3.400 5.997
99 1HB ASP 16 2HB ASP 16 7.081 -3.805 3.653
100 2HB ASP 16 1HB ASP 16 8.736 -4.414 3.717
101 H GLY 17 H GLY 17 7.193 -0.727 5.010
102 1HA GLY 17 2HA GLY 17 8.029 1.355 4.245
103 2HA GLY 17 1HA GLY 17 9.595 0.589 3.969
104 H ARG 18 H ARG 18 6.476 -0.533 2.708
105 HA ARG 18 HA ARG 18 7.407 0.227 -0.042
106 1HB ARG 18 2HB ARG 18 6.644 -2.410 1.146
107 2HB ARG 18 1HB ARG 18 6.221 -2.107 -0.539
108 1HG ARG 18 2HG ARG 18 8.574 -1.539 -1.029
109 2HG ARG 18 1HG ARG 18 8.998 -1.861 0.653
110 1HD ARG 18 2HD ARG 18 9.506 -3.922 -0.337
111 2HD ARG 18 1HD ARG 18 7.821 -4.198 0.151
112 HE ARG 18 HE ARG 18 8.637 -3.347 -2.603
113 1HH1 ARG 18 1HH1 ARG 18 7.376 -5.949 -1.041
114 2HH1 ARG 18 2HH1 ARG 18 5.894 -6.034 -1.933
115 1HH2 ARG 18 1HH2 ARG 18 6.338 -2.959 -3.475
116 2HH2 ARG 18 2HH2 ARG 18 5.306 -4.340 -3.311
117 H CYS 19 H CYS 19 5.606 0.239 -1.624
118 HA CYS 19 HA CYS 19 3.102 1.280 -0.418
119 1HB CYS 19 2HB CYS 19 4.239 1.209 -3.228
120 2HB CYS 19 1HB CYS 19 2.818 2.124 -2.722
121 H LYS 20 H LYS 20 1.403 -0.139 -0.235
122 HA LYS 20 HA LYS 20 1.159 -2.321 -2.283
123 1HB LYS 20 2HB LYS 20 1.313 -2.330 0.658
124 2HB LYS 20 1HB LYS 20 -0.035 -3.273 0.019
125 1HG LYS 20 2HG LYS 20 2.052 -3.959 -1.667
126 2HG LYS 20 1HG LYS 20 2.842 -3.824 -0.096
127 1HD LYS 20 2HD LYS 20 1.034 -5.289 0.862
128 2HD LYS 20 1HD LYS 20 0.432 -5.530 -0.779
129 1HE LYS 20 2HE LYS 20 3.209 -6.256 0.225
130 2HE LYS 20 1HE LYS 20 1.916 -7.392 -0.211
131 1HZ LYS 20 1HZ LYS 20 2.895 -7.260 -2.231
132 2HZ LYS 20 2HZ LYS 20 3.586 -5.737 -1.932
133 3HZ LYS 20 3HZ LYS 20 1.949 -5.859 -2.371
134 HA PRO 21 HA PRO 21 -2.782 -0.388 -2.749
135 1HB PRO 21 2HB PRO 21 -3.828 -2.198 -4.525
136 2HB PRO 21 1HB PRO 21 -2.734 -0.883 -4.966
137 1HG PRO 21 2HG PRO 21 -2.198 -3.753 -4.689
138 2HG PRO 21 1HG PRO 21 -1.386 -2.559 -5.688
139 1HD PRO 21 2HD PRO 21 -0.431 -3.632 -3.295
140 2HD PRO 21 1HD PRO 21 0.183 -2.182 -4.104
141 H THR 22 H THR 22 -4.399 -0.497 -1.369
142 HA THR 22 HA THR 22 -4.941 -2.746 0.330
143 HB THR 22 HB THR 22 -6.595 -1.270 1.234
144 HG1 THR 22 1HG THR 22 -6.489 0.301 -1.104
145 1HG2 THR 22 1HG2 THR 22 -5.277 0.558 1.712
146 2HG2 THR 22 2HG2 THR 22 -4.862 0.830 0.020
147 3HG2 THR 22 3HG2 THR 22 -4.054 -0.445 0.932
148 H PHE 23 H PHE 23 -6.045 -1.868 -2.838
149 HA PHE 23 HA PHE 23 -8.406 -3.676 -2.674
150 1HB PHE 23 2HB PHE 23 -7.775 -1.240 -3.949
151 2HB PHE 23 1HB PHE 23 -7.878 -2.435 -5.243
152 HD1 PHE 23 1HD PHE 23 -9.966 -3.522 -5.794
153 HD2 PHE 23 2HD PHE 23 -9.708 -0.834 -2.453
154 HE1 PHE 23 1HE PHE 23 -12.442 -3.476 -5.638
155 HE2 PHE 23 2HE PHE 23 -12.182 -0.789 -2.297
156 HZ PHE 23 HZ PHE 23 -13.550 -2.110 -3.890
Start of MODEL 2
1 1H GLU 1 1HT GLU 1 14.869 2.872 -5.226
2 2H GLU 1 2HT GLU 1 14.478 2.081 -3.775
3 3H GLU 1 3HT GLU 1 15.077 1.194 -5.095
4 HA GLU 1 HA GLU 1 16.909 1.407 -3.648
5 1HB GLU 1 2HB GLU 1 17.182 1.907 -6.095
6 2HB GLU 1 1HB GLU 1 17.008 3.621 -5.722
7 1HG GLU 1 2HG GLU 1 18.928 3.107 -3.974
8 2HG GLU 1 1HG GLU 1 19.258 1.759 -5.061
9 H ASN 2 H ASN 2 14.997 2.737 -2.092
10 HA ASN 2 HA ASN 2 14.812 4.423 -0.445
11 1HB ASN 2 2HB ASN 2 17.146 3.388 -0.148
12 2HB ASN 2 1HB ASN 2 17.762 4.807 -0.995
13 1HD2 ASN 2 1HD2 ASN 2 18.829 5.689 0.899
14 2HD2 ASN 2 2HD2 ASN 2 17.953 6.308 2.214
15 H PHE 3 H PHE 3 14.986 6.824 -0.146
16 HA PHE 3 HA PHE 3 14.896 9.042 -0.967
17 1HB PHE 3 2HB PHE 3 17.193 7.985 -1.855
18 2HB PHE 3 1HB PHE 3 16.393 8.201 -3.412
19 HD1 PHE 3 1HD PHE 3 17.354 9.990 -0.281
20 HD2 PHE 3 2HD PHE 3 16.220 10.344 -4.410
21 HE1 PHE 3 1HE PHE 3 17.880 12.413 -0.219
22 HE2 PHE 3 2HE PHE 3 16.747 12.766 -4.346
23 HZ PHE 3 HZ PHE 3 17.576 13.800 -2.251
24 H ALA 4 H ALA 4 12.558 7.976 -1.395
25 HA ALA 4 HA ALA 4 11.575 9.065 -3.858
26 1HB ALA 4 1HB ALA 4 12.231 7.389 -5.237
27 2HB ALA 4 2HB ALA 4 11.018 6.392 -4.435
28 3HB ALA 4 3HB ALA 4 12.691 6.365 -3.878
29 H GLY 5 H GLY 5 10.485 9.522 -1.499
30 1HA GLY 5 2HA GLY 5 8.611 7.578 -0.516
31 2HA GLY 5 1HA GLY 5 8.555 9.308 -0.178
32 H GLY 6 H GLY 6 6.905 6.827 -1.664
33 1HA GLY 6 2HA GLY 6 4.788 8.409 -2.634
34 2HA GLY 6 1HA GLY 6 5.861 8.127 -4.008
35 H CYS 7 H CYS 7 3.168 7.081 -3.750
36 HA CYS 7 HA CYS 7 3.813 4.168 -3.926
37 1HB CYS 7 2HB CYS 7 1.689 5.542 -2.261
38 2HB CYS 7 1HB CYS 7 1.640 3.819 -2.627
39 H ALA 8 H ALA 8 1.515 3.081 -4.670
40 HA ALA 8 HA ALA 8 0.861 4.417 -7.214
41 1HB ALA 8 1HB ALA 8 0.767 2.242 -7.786
42 2HB ALA 8 2HB ALA 8 -0.680 2.075 -6.795
43 3HB ALA 8 3HB ALA 8 0.910 1.765 -6.096
44 H THR 9 H THR 9 -1.738 3.808 -7.671
45 HA THR 9 HA THR 9 -3.313 5.824 -6.691
46 HB THR 9 HB THR 9 -4.235 4.468 -8.362
47 HG1 THR 9 1HG THR 9 -6.022 4.713 -7.275
48 1HG2 THR 9 1HG2 THR 9 -3.256 2.424 -8.489
49 2HG2 THR 9 2HG2 THR 9 -4.612 1.892 -7.495
50 3HG2 THR 9 3HG2 THR 9 -3.074 2.301 -6.739
51 H GLY 10 H GLY 10 -4.630 2.871 -5.408
52 1HA GLY 10 2HA GLY 10 -4.713 4.127 -2.733
53 2HA GLY 10 1HA GLY 10 -5.646 2.718 -3.241
54 H PHE 11 H PHE 11 -2.143 3.486 -3.150
55 HA PHE 11 HA PHE 11 -1.569 0.784 -2.131
56 1HB PHE 11 2HB PHE 11 -0.366 2.997 -3.656
57 2HB PHE 11 1HB PHE 11 0.726 2.211 -2.564
58 HD1 PHE 11 1HD PHE 11 -1.979 1.168 -4.958
59 HD2 PHE 11 2HD PHE 11 2.007 0.486 -3.513
60 HE1 PHE 11 1HE PHE 11 -1.661 -0.616 -6.646
61 HE2 PHE 11 2HE PHE 11 2.314 -1.302 -5.189
62 HZ PHE 11 HZ PHE 11 0.483 -1.852 -6.764
63 H MET 12 H MET 12 -1.429 0.652 0.130
64 HA MET 12 HA MET 12 -0.824 3.123 1.678
65 1HB MET 12 2HB MET 12 -2.805 1.851 2.282
66 2HB MET 12 1HB MET 12 -1.862 0.365 2.395
67 1HG MET 12 2HG MET 12 -0.554 2.227 4.063
68 2HG MET 12 1HG MET 12 -2.276 2.407 4.400
69 1HE MET 12 1HE MET 12 -3.307 -0.425 6.385
70 2HE MET 12 2HE MET 12 -3.889 0.183 4.837
71 3HE MET 12 3HE MET 12 -3.311 1.313 6.058
72 H ARG 13 H ARG 13 1.235 3.421 2.394
73 HA ARG 13 HA ARG 13 3.452 1.813 1.950
74 1HB ARG 13 2HB ARG 13 2.696 3.795 4.089
75 2HB ARG 13 1HB ARG 13 4.290 3.039 4.098
76 1HG ARG 13 2HG ARG 13 3.700 3.897 1.425
77 2HG ARG 13 1HG ARG 13 3.421 5.246 2.526
78 1HD ARG 13 2HD ARG 13 5.814 3.993 3.402
79 2HD ARG 13 1HD ARG 13 5.941 4.170 1.640
80 HE ARG 13 HE ARG 13 4.881 6.588 2.425
81 1HH1 ARG 13 1HH2 ARG 13 7.694 6.347 1.410
82 2HH1 ARG 13 2HH2 ARG 13 8.611 6.981 2.736
83 1HH2 ARG 13 1HH1 ARG 13 6.014 6.692 5.015
84 2HH2 ARG 13 2HH1 ARG 13 7.660 7.178 4.777
85 H THR 14 H THR 14 4.241 -0.072 2.841
86 HA THR 14 HA THR 14 2.688 -1.303 5.072
87 HB THR 14 HB THR 14 4.274 -3.267 4.192
88 HG1 THR 14 1HG THR 14 3.996 -1.683 1.880
89 1HG2 THR 14 1HG2 THR 14 2.099 -2.416 2.311
90 2HG2 THR 14 2HG2 THR 14 1.689 -2.807 3.981
91 3HG2 THR 14 3HG2 THR 14 2.454 -4.020 2.954
92 H ALA 15 H ALA 15 3.811 -2.143 6.919
93 HA ALA 15 HA ALA 15 5.768 -0.646 8.167
94 1HB ALA 15 1HB ALA 15 5.868 -3.624 8.447
95 2HB ALA 15 2HB ALA 15 4.339 -2.814 8.785
96 3HB ALA 15 3HB ALA 15 5.785 -2.387 9.701
97 H ASP 16 H ASP 16 6.262 -3.097 5.683
98 HA ASP 16 HA ASP 16 9.121 -3.374 6.042
99 1HB ASP 16 2HB ASP 16 7.211 -4.738 4.746
100 2HB ASP 16 1HB ASP 16 7.784 -3.758 3.395
101 H GLY 17 H GLY 17 7.286 -0.755 5.021
102 1HA GLY 17 2HA GLY 17 8.073 1.333 4.225
103 2HA GLY 17 1HA GLY 17 9.653 0.598 3.944
104 H ARG 18 H ARG 18 6.506 -0.527 2.753
105 HA ARG 18 HA ARG 18 7.410 0.129 -0.030
106 1HB ARG 18 2HB ARG 18 6.463 -2.468 1.183
107 2HB ARG 18 1HB ARG 18 6.382 -2.184 -0.555
108 1HG ARG 18 2HG ARG 18 8.812 -1.700 -0.580
109 2HG ARG 18 1HG ARG 18 8.886 -2.031 1.152
110 1HD ARG 18 2HD ARG 18 9.527 -4.095 0.172
111 2HD ARG 18 1HD ARG 18 7.799 -4.330 0.505
112 HE ARG 18 HE ARG 18 7.387 -4.245 -1.826
113 1HH1 ARG 18 1HH2 ARG 18 10.525 -4.855 -1.687
114 2HH1 ARG 18 2HH2 ARG 18 11.031 -3.889 -3.032
115 1HH2 ARG 18 1HH1 ARG 18 8.016 -2.194 -3.290
116 2HH2 ARG 18 2HH1 ARG 18 9.609 -2.384 -3.943
117 H CYS 19 H CYS 19 5.585 0.144 -1.588
118 HA CYS 19 HA CYS 19 3.104 1.210 -0.363
119 1HB CYS 19 2HB CYS 19 4.206 1.059 -3.184
120 2HB CYS 19 1HB CYS 19 2.760 1.951 -2.710
121 H LYS 20 H LYS 20 1.261 -0.038 -0.293
122 HA LYS 20 HA LYS 20 1.043 -2.355 -2.180
123 1HB LYS 20 2HB LYS 20 1.791 -3.198 -0.034
124 2HB LYS 20 1HB LYS 20 0.569 -2.250 0.813
125 1HG LYS 20 2HG LYS 20 -0.684 -3.874 -1.219
126 2HG LYS 20 1HG LYS 20 0.302 -4.886 -0.163
127 1HD LYS 20 2HD LYS 20 -1.710 -2.852 0.838
128 2HD LYS 20 1HD LYS 20 -2.053 -4.573 0.660
129 1HE LYS 20 2HE LYS 20 0.301 -3.587 2.293
130 2HE LYS 20 1HE LYS 20 -1.310 -3.819 3.002
131 1HZ LYS 20 1HZ LYS 20 -0.106 -5.865 3.198
132 2HZ LYS 20 2HZ LYS 20 0.309 -5.844 1.550
133 3HZ LYS 20 3HZ LYS 20 -1.308 -6.077 2.019
134 HA PRO 21 HA PRO 21 -2.860 -0.374 -2.746
135 1HB PRO 21 2HB PRO 21 -3.903 -2.205 -4.500
136 2HB PRO 21 1HB PRO 21 -2.778 -0.921 -4.952
137 1HG PRO 21 2HG PRO 21 -2.301 -3.793 -4.606
138 2HG PRO 21 1HG PRO 21 -1.442 -2.633 -5.608
139 1HD PRO 21 2HD PRO 21 -0.574 -3.678 -3.165
140 2HD PRO 21 1HD PRO 21 0.102 -2.272 -4.001
141 H THR 22 H THR 22 -4.801 -0.513 -1.762
142 HA THR 22 HA THR 22 -5.289 -2.689 0.117
143 HB THR 22 HB THR 22 -6.962 -1.194 0.924
144 HG1 THR 22 1HG THR 22 -6.858 0.284 -1.472
145 1HG2 THR 22 1HG2 THR 22 -5.577 0.528 1.438
146 2HG2 THR 22 2HG2 THR 22 -5.408 1.002 -0.251
147 3HG2 THR 22 3HG2 THR 22 -4.397 -0.282 0.409
148 H PHE 23 H PHE 23 -5.874 -2.411 -3.159
149 HA PHE 23 HA PHE 23 -8.338 -4.116 -2.980
150 1HB PHE 23 2HB PHE 23 -7.588 -1.732 -4.521
151 2HB PHE 23 1HB PHE 23 -8.252 -3.024 -5.522
152 HD1 PHE 23 1HD PHE 23 -8.892 -1.158 -2.339
153 HD2 PHE 23 2HD PHE 23 -10.573 -3.345 -5.632
154 HE1 PHE 23 1HE PHE 23 -11.173 -0.605 -1.540
155 HE2 PHE 23 2HE PHE 23 -12.856 -2.792 -4.833
156 HZ PHE 23 HZ PHE 23 -13.155 -1.421 -2.787
Start of MODEL 3
1 1H GLU 1 1HT GLU 1 -7.940 7.186 7.835
2 2H GLU 1 2HT GLU 1 -8.041 6.804 6.183
3 3H GLU 1 3HT GLU 1 -9.406 7.391 7.007
4 HA GLU 1 HA GLU 1 -8.187 9.050 5.542
5 1HB GLU 1 2HB GLU 1 -9.855 9.760 7.081
6 2HB GLU 1 1HB GLU 1 -8.860 9.338 8.475
7 1HG GLU 1 2HG GLU 1 -7.471 11.230 6.775
8 2HG GLU 1 1HG GLU 1 -9.051 11.861 7.246
9 H ASN 2 H ASN 2 -5.938 8.082 5.252
10 HA ASN 2 HA ASN 2 -4.001 9.377 7.147
11 1HB ASN 2 2HB ASN 2 -4.107 6.934 7.411
12 2HB ASN 2 1HB ASN 2 -3.837 6.723 5.680
13 1HD2 ASN 2 1HD2 ASN 2 -1.717 5.977 5.446
14 2HD2 ASN 2 2HD2 ASN 2 -0.364 6.645 6.224
15 H PHE 3 H PHE 3 -1.871 9.857 6.066
16 HA PHE 3 HA PHE 3 -2.325 10.949 3.354
17 1HB PHE 3 2HB PHE 3 -1.199 12.048 5.435
18 2HB PHE 3 1HB PHE 3 0.209 11.086 4.986
19 HD1 PHE 3 1HD PHE 3 1.634 11.764 3.227
20 HD2 PHE 3 2HD PHE 3 -2.232 13.584 3.664
21 HE1 PHE 3 1HE PHE 3 2.221 13.428 1.484
22 HE2 PHE 3 2HE PHE 3 -1.645 15.248 1.921
23 HZ PHE 3 HZ PHE 3 0.581 15.170 0.831
24 H ALA 4 H ALA 4 -0.384 10.671 1.789
25 HA ALA 4 HA ALA 4 0.878 7.973 2.020
26 1HB ALA 4 1HB ALA 4 0.089 8.231 -0.650
27 2HB ALA 4 2HB ALA 4 -1.286 8.846 0.267
28 3HB ALA 4 3HB ALA 4 -0.686 7.216 0.566
29 H GLY 5 H GLY 5 2.852 7.813 0.830
30 1HA GLY 5 2HA GLY 5 3.929 10.442 -0.080
31 2HA GLY 5 1HA GLY 5 4.914 9.081 0.460
32 H GLY 6 H GLY 6 6.067 8.404 -1.291
33 1HA GLY 6 2HA GLY 6 4.979 8.585 -3.997
34 2HA GLY 6 1HA GLY 6 6.549 7.912 -3.555
35 H CYS 7 H CYS 7 3.139 7.192 -3.962
36 HA CYS 7 HA CYS 7 3.832 4.287 -4.032
37 1HB CYS 7 2HB CYS 7 1.675 5.675 -2.417
38 2HB CYS 7 1HB CYS 7 1.687 3.936 -2.704
39 H ALA 8 H ALA 8 1.481 3.175 -4.671
40 HA ALA 8 HA ALA 8 0.818 4.407 -7.276
41 1HB ALA 8 1HB ALA 8 -0.650 2.026 -6.743
42 2HB ALA 8 2HB ALA 8 0.980 1.796 -6.108
43 3HB ALA 8 3HB ALA 8 0.745 2.220 -7.802
44 H THR 9 H THR 9 -1.764 3.731 -7.706
45 HA THR 9 HA THR 9 -3.385 5.727 -6.757
46 HB THR 9 HB THR 9 -4.272 4.318 -8.403
47 HG1 THR 9 1HG THR 9 -6.111 3.323 -7.405
48 1HG2 THR 9 1HG2 THR 9 -3.188 2.310 -8.454
49 2HG2 THR 9 2HG2 THR 9 -4.603 1.756 -7.560
50 3HG2 THR 9 3HG2 THR 9 -3.126 2.185 -6.696
51 H GLY 10 H GLY 10 -4.642 2.776 -5.419
52 1HA GLY 10 2HA GLY 10 -4.734 4.066 -2.760
53 2HA GLY 10 1HA GLY 10 -5.637 2.630 -3.242
54 H PHE 11 H PHE 11 -2.162 3.491 -3.182
55 HA PHE 11 HA PHE 11 -1.493 0.815 -2.143
56 1HB PHE 11 2HB PHE 11 -0.396 3.031 -3.730
57 2HB PHE 11 1HB PHE 11 0.747 2.329 -2.630
58 HD1 PHE 11 1HD PHE 11 -1.968 1.042 -4.890
59 HD2 PHE 11 2HD PHE 11 2.109 0.680 -3.606
60 HE1 PHE 11 1HE PHE 11 -1.607 -0.783 -6.523
61 HE2 PHE 11 2HE PHE 11 2.464 -1.149 -5.225
62 HZ PHE 11 HZ PHE 11 0.607 -1.881 -6.694
63 H MET 12 H MET 12 -1.381 0.721 0.114
64 HA MET 12 HA MET 12 -0.755 3.212 1.626
65 1HB MET 12 2HB MET 12 -2.705 1.434 1.967
66 2HB MET 12 1HB MET 12 -1.457 0.578 2.874
67 1HG MET 12 2HG MET 12 -1.709 1.974 4.619
68 2HG MET 12 1HG MET 12 -1.413 3.371 3.584
69 1HE MET 12 1HE MET 12 -3.886 5.056 2.729
70 2HE MET 12 2HE MET 12 -2.501 4.962 3.814
71 3HE MET 12 3HE MET 12 -4.116 5.194 4.477
72 H ARG 13 H ARG 13 1.259 3.482 2.492
73 HA ARG 13 HA ARG 13 3.478 1.852 1.986
74 1HB ARG 13 2HB ARG 13 2.740 3.900 4.057
75 2HB ARG 13 1HB ARG 13 4.303 3.090 4.161
76 1HG ARG 13 2HG ARG 13 3.725 3.939 1.440
77 2HG ARG 13 1HG ARG 13 3.690 5.301 2.562
78 1HD ARG 13 2HD ARG 13 5.921 4.165 3.478
79 2HD ARG 13 1HD ARG 13 5.981 3.519 1.826
80 HE ARG 13 HE ARG 13 5.321 6.354 1.902
81 1HH1 ARG 13 1HH1 ARG 13 7.931 6.057 3.394
82 2HH1 ARG 13 2HH1 ARG 13 9.086 6.209 2.113
83 1HH2 ARG 13 1HH2 ARG 13 6.760 5.663 -0.402
84 2HH2 ARG 13 2HH2 ARG 13 8.423 5.986 -0.038
85 H THR 14 H THR 14 3.922 -0.199 2.672
86 HA THR 14 HA THR 14 2.485 -1.326 4.999
87 HB THR 14 HB THR 14 2.688 -2.555 2.869
88 HG1 THR 14 1HG THR 14 3.053 -3.505 5.169
89 1HG2 THR 14 1HG2 THR 14 5.032 -3.440 2.324
90 2HG2 THR 14 2HG2 THR 14 5.637 -2.183 3.405
91 3HG2 THR 14 3HG2 THR 14 4.727 -1.743 1.959
92 H ALA 15 H ALA 15 3.569 -2.157 6.849
93 HA ALA 15 HA ALA 15 5.595 -0.754 8.080
94 1HB ALA 15 1HB ALA 15 4.189 -2.550 9.061
95 2HB ALA 15 2HB ALA 15 5.894 -2.786 9.440
96 3HB ALA 15 3HB ALA 15 5.130 -3.752 8.178
97 H ASP 16 H ASP 16 5.982 -3.175 5.557
98 HA ASP 16 HA ASP 16 8.812 -3.634 5.924
99 1HB ASP 16 2HB ASP 16 7.197 -5.088 4.689
100 2HB ASP 16 1HB ASP 16 7.063 -3.839 3.450
101 H GLY 17 H GLY 17 7.124 -0.883 4.953
102 1HA GLY 17 2HA GLY 17 8.049 1.200 4.284
103 2HA GLY 17 1HA GLY 17 9.594 0.391 4.010
104 H ARG 18 H ARG 18 6.406 -0.460 2.680
105 HA ARG 18 HA ARG 18 7.400 0.320 -0.034
106 1HB ARG 18 2HB ARG 18 6.528 -2.364 1.010
107 2HB ARG 18 1HB ARG 18 6.336 -1.976 -0.700
108 1HG ARG 18 2HG ARG 18 8.964 -1.619 0.755
109 2HG ARG 18 1HG ARG 18 8.529 -3.122 -0.061
110 1HD ARG 18 2HD ARG 18 8.178 -1.828 -2.178
111 2HD ARG 18 1HD ARG 18 8.765 -0.377 -1.342
112 HE ARG 18 HE ARG 18 10.669 -2.396 -0.855
113 1HH1 ARG 18 1HH1 ARG 18 10.067 -3.214 -3.660
114 2HH1 ARG 18 2HH1 ARG 18 11.151 -2.221 -4.577
115 1HH2 ARG 18 1HH2 ARG 18 11.753 -0.014 -1.971
116 2HH2 ARG 18 2HH2 ARG 18 12.106 -0.409 -3.619
117 H CYS 19 H CYS 19 5.625 0.427 -1.626
118 HA CYS 19 HA CYS 19 3.123 1.438 -0.426
119 1HB CYS 19 2HB CYS 19 4.241 1.289 -3.243
120 2HB CYS 19 1HB CYS 19 2.797 2.187 -2.774
121 H LYS 20 H LYS 20 1.509 -0.056 -0.081
122 HA LYS 20 HA LYS 20 1.221 -2.296 -2.060
123 1HB LYS 20 2HB LYS 20 2.049 -2.934 0.197
124 2HB LYS 20 1HB LYS 20 0.608 -2.211 0.912
125 1HG LYS 20 2HG LYS 20 -0.762 -3.777 -0.550
126 2HG LYS 20 1HG LYS 20 0.749 -4.605 -0.933
127 1HD LYS 20 2HD LYS 20 1.094 -5.256 1.322
128 2HD LYS 20 1HD LYS 20 -0.102 -4.107 1.922
129 1HE LYS 20 2HE LYS 20 -1.811 -5.458 0.502
130 2HE LYS 20 1HE LYS 20 -0.567 -6.723 0.488
131 1HZ LYS 20 1HZ LYS 20 -2.280 -6.469 2.482
132 2HZ LYS 20 2HZ LYS 20 -1.084 -5.394 3.033
133 3HZ LYS 20 3HZ LYS 20 -0.692 -7.017 2.718
134 HA PRO 21 HA PRO 21 -2.737 -0.407 -2.626
135 1HB PRO 21 2HB PRO 21 -3.760 -2.313 -4.312
136 2HB PRO 21 1HB PRO 21 -2.690 -1.003 -4.820
137 1HG PRO 21 2HG PRO 21 -2.099 -3.847 -4.390
138 2HG PRO 21 1HG PRO 21 -1.327 -2.701 -5.471
139 1HD PRO 21 2HD PRO 21 -0.294 -3.607 -3.055
140 2HD PRO 21 1HD PRO 21 0.240 -2.162 -3.930
141 H THR 22 H THR 22 -4.478 -0.502 -1.384
142 HA THR 22 HA THR 22 -4.927 -2.524 0.565
143 HB THR 22 HB THR 22 -6.863 -1.161 1.067
144 HG1 THR 22 1HG THR 22 -6.553 0.166 -1.398
145 1HG2 THR 22 1HG2 THR 22 -5.074 0.882 -0.194
146 2HG2 THR 22 2HG2 THR 22 -4.390 -0.172 1.043
147 3HG2 THR 22 3HG2 THR 22 -5.773 0.853 1.425
148 H PHE 23 H PHE 23 -7.512 -1.672 -1.690
149 HA PHE 23 HA PHE 23 -8.385 -4.478 -1.801
150 1HB PHE 23 2HB PHE 23 -9.873 -2.462 -1.563
151 2HB PHE 23 1HB PHE 23 -9.422 -1.995 -3.204
152 HD1 PHE 23 1HD PHE 23 -9.917 -3.589 -5.117
153 HD2 PHE 23 2HD PHE 23 -11.525 -4.121 -1.170
154 HE1 PHE 23 1HE PHE 23 -11.647 -5.113 -6.028
155 HE2 PHE 23 2HE PHE 23 -13.257 -5.645 -2.081
156 HZ PHE 23 HZ PHE 23 -13.318 -6.141 -4.510
Start of MODEL 4
1 1H GLU 1 1HT GLU 1 2.981 15.710 6.917
2 2H GLU 1 2HT GLU 1 2.486 16.449 8.364
3 3H GLU 1 3HT GLU 1 2.696 14.765 8.296
4 HA GLU 1 HA GLU 1 4.678 16.864 8.636
5 1HB GLU 1 2HB GLU 1 4.469 13.904 9.285
6 2HB GLU 1 1HB GLU 1 5.653 15.025 9.960
7 1HG GLU 1 2HG GLU 1 4.182 15.565 11.573
8 2HG GLU 1 1HG GLU 1 3.097 16.205 10.337
9 H ASN 2 H ASN 2 5.610 17.261 6.563
10 HA ASN 2 HA ASN 2 6.937 16.805 4.655
11 1HB ASN 2 2HB ASN 2 7.873 14.991 6.871
12 2HB ASN 2 1HB ASN 2 8.663 14.938 5.293
13 1HD2 ASN 2 1HD2 ASN 2 9.248 16.220 8.189
14 2HD2 ASN 2 2HD2 ASN 2 9.899 17.729 7.763
15 H PHE 3 H PHE 3 4.802 15.942 3.682
16 HA PHE 3 HA PHE 3 4.357 13.077 3.561
17 1HB PHE 3 2HB PHE 3 3.343 15.577 2.265
18 2HB PHE 3 1HB PHE 3 2.969 14.038 1.491
19 HD1 PHE 3 1HD PHE 3 1.742 12.262 2.763
20 HD2 PHE 3 2HD PHE 3 2.308 16.223 4.327
21 HE1 PHE 3 1HE PHE 3 -0.050 11.862 4.429
22 HE2 PHE 3 2HE PHE 3 0.516 15.822 5.993
23 HZ PHE 3 HZ PHE 3 -0.662 13.640 6.045
24 H ALA 4 H ALA 4 6.068 11.899 2.679
25 HA ALA 4 HA ALA 4 6.676 12.364 -0.184
26 1HB ALA 4 1HB ALA 4 8.281 13.354 1.923
27 2HB ALA 4 2HB ALA 4 8.700 13.284 0.211
28 3HB ALA 4 3HB ALA 4 9.137 11.952 1.282
29 H GLY 5 H GLY 5 7.167 10.411 -1.211
30 1HA GLY 5 2HA GLY 5 8.343 8.132 0.000
31 2HA GLY 5 1HA GLY 5 6.593 7.947 0.111
32 H GLY 6 H GLY 6 5.398 7.580 -1.793
33 1HA GLY 6 2HA GLY 6 5.619 7.878 -4.374
34 2HA GLY 6 1HA GLY 6 7.068 6.894 -4.167
35 H CYS 7 H CYS 7 3.545 6.856 -3.635
36 HA CYS 7 HA CYS 7 3.645 3.866 -3.903
37 1HB CYS 7 2HB CYS 7 1.802 5.699 -2.338
38 2HB CYS 7 1HB CYS 7 1.572 3.957 -2.480
39 H ALA 8 H ALA 8 1.479 3.002 -4.781
40 HA ALA 8 HA ALA 8 0.799 4.492 -7.223
41 1HB ALA 8 1HB ALA 8 -0.832 2.192 -6.827
42 2HB ALA 8 2HB ALA 8 0.780 1.799 -6.228
43 3HB ALA 8 3HB ALA 8 0.566 2.351 -7.888
44 H THR 9 H THR 9 -1.830 4.010 -7.641
45 HA THR 9 HA THR 9 -3.287 6.046 -6.508
46 HB THR 9 HB THR 9 -4.298 4.861 -8.254
47 HG1 THR 9 1HG THR 9 -6.199 3.968 -7.347
48 1HG2 THR 9 1HG2 THR 9 -4.790 2.285 -7.773
49 2HG2 THR 9 2HG2 THR 9 -3.392 2.465 -6.713
50 3HG2 THR 9 3HG2 THR 9 -3.243 2.813 -8.435
51 H GLY 10 H GLY 10 -4.711 3.065 -5.414
52 1HA GLY 10 2HA GLY 10 -4.775 4.138 -2.672
53 2HA GLY 10 1HA GLY 10 -5.681 2.744 -3.259
54 H PHE 11 H PHE 11 -2.187 3.555 -3.123
55 HA PHE 11 HA PHE 11 -1.585 0.815 -2.212
56 1HB PHE 11 2HB PHE 11 -0.409 3.072 -3.682
57 2HB PHE 11 1HB PHE 11 0.696 2.308 -2.589
58 HD1 PHE 11 1HD PHE 11 2.033 0.636 -3.559
59 HD2 PHE 11 2HD PHE 11 -1.975 1.190 -4.994
60 HE1 PHE 11 1HE PHE 11 2.393 -1.141 -5.239
61 HE2 PHE 11 2HE PHE 11 -1.610 -0.594 -6.674
62 HZ PHE 11 HZ PHE 11 0.574 -1.755 -6.800
63 H MET 12 H MET 12 -1.388 0.574 0.023
64 HA MET 12 HA MET 12 -0.876 2.984 1.694
65 1HB MET 12 2HB MET 12 -2.805 1.441 2.100
66 2HB MET 12 1HB MET 12 -1.657 0.143 2.424
67 1HG MET 12 2HG MET 12 -0.714 2.153 4.047
68 2HG MET 12 1HG MET 12 -2.458 2.402 4.131
69 1HE MET 12 1HE MET 12 -3.983 0.626 4.049
70 2HE MET 12 2HE MET 12 -4.087 -0.370 5.499
71 3HE MET 12 3HE MET 12 -3.510 -1.077 3.993
72 H ARG 13 H ARG 13 1.119 3.304 2.571
73 HA ARG 13 HA ARG 13 3.416 1.785 1.991
74 1HB ARG 13 2HB ARG 13 2.965 4.162 3.044
75 2HB ARG 13 1HB ARG 13 3.112 3.292 4.572
76 1HG ARG 13 2HG ARG 13 5.299 4.160 3.936
77 2HG ARG 13 1HG ARG 13 5.313 2.401 3.804
78 1HD ARG 13 2HD ARG 13 5.873 2.568 1.619
79 2HD ARG 13 1HD ARG 13 4.398 3.505 1.308
80 HE ARG 13 HE ARG 13 5.712 5.464 1.381
81 1HH1 ARG 13 1HH2 ARG 13 7.952 3.146 1.265
82 2HH1 ARG 13 2HH2 ARG 13 9.112 3.877 2.323
83 1HH2 ARG 13 1HH1 ARG 13 6.918 6.299 3.488
84 2HH2 ARG 13 2HH1 ARG 13 8.528 5.664 3.580
85 H THR 14 H THR 14 4.183 -0.129 2.790
86 HA THR 14 HA THR 14 2.729 -1.435 5.028
87 HB THR 14 HB THR 14 3.935 -3.425 4.199
88 HG1 THR 14 1HG THR 14 5.845 -2.214 3.631
89 1HG2 THR 14 1HG2 THR 14 2.956 -3.512 1.968
90 2HG2 THR 14 2HG2 THR 14 2.847 -1.752 1.919
91 3HG2 THR 14 3HG2 THR 14 1.856 -2.667 3.056
92 H ALA 15 H ALA 15 3.791 -2.038 6.957
93 HA ALA 15 HA ALA 15 5.705 -0.456 8.155
94 1HB ALA 15 1HB ALA 15 4.504 -2.114 9.394
95 2HB ALA 15 2HB ALA 15 6.201 -2.581 9.505
96 3HB ALA 15 3HB ALA 15 5.128 -3.417 8.383
97 H ASP 16 H ASP 16 6.294 -3.032 5.825
98 HA ASP 16 HA ASP 16 9.136 -3.285 6.276
99 1HB ASP 16 2HB ASP 16 7.657 -4.939 5.144
100 2HB ASP 16 1HB ASP 16 7.441 -3.804 3.811
101 H GLY 17 H GLY 17 7.225 -0.840 4.820
102 1HA GLY 17 2HA GLY 17 8.129 1.285 4.124
103 2HA GLY 17 1HA GLY 17 9.683 0.500 3.836
104 H ARG 18 H ARG 18 6.453 -0.485 2.709
105 HA ARG 18 HA ARG 18 7.330 0.088 -0.097
106 1HB ARG 18 2HB ARG 18 6.121 -2.494 0.941
107 2HB ARG 18 1HB ARG 18 6.622 -2.177 -0.720
108 1HG ARG 18 2HG ARG 18 8.948 -1.656 0.294
109 2HG ARG 18 1HG ARG 18 8.350 -2.486 1.731
110 1HD ARG 18 2HD ARG 18 8.131 -4.549 0.603
111 2HD ARG 18 1HD ARG 18 8.141 -3.777 -0.994
112 HE ARG 18 HE ARG 18 10.555 -3.652 0.766
113 1HH1 ARG 18 1HH2 ARG 18 10.487 -2.339 -1.949
114 2HH1 ARG 18 2HH2 ARG 18 11.269 -3.530 -2.935
115 1HH2 ARG 18 1HH1 ARG 18 10.912 -6.077 -0.612
116 2HH2 ARG 18 2HH1 ARG 18 11.509 -5.644 -2.179
117 H CYS 19 H CYS 19 5.535 0.269 -1.597
118 HA CYS 19 HA CYS 19 3.032 1.234 -0.344
119 1HB CYS 19 2HB CYS 19 4.125 1.211 -3.172
120 2HB CYS 19 1HB CYS 19 2.709 2.112 -2.628
121 H LYS 20 H LYS 20 1.295 -0.150 -0.203
122 HA LYS 20 HA LYS 20 1.066 -2.349 -2.238
123 1HB LYS 20 2HB LYS 20 1.817 -2.903 0.180
124 2HB LYS 20 1HB LYS 20 0.157 -2.520 0.640
125 1HG LYS 20 2HG LYS 20 -0.692 -4.396 -0.349
126 2HG LYS 20 1HG LYS 20 0.457 -4.336 -1.685
127 1HD LYS 20 2HD LYS 20 1.158 -6.232 -0.492
128 2HD LYS 20 1HD LYS 20 2.225 -4.972 0.129
129 1HE LYS 20 2HE LYS 20 1.420 -5.284 2.221
130 2HE LYS 20 1HE LYS 20 -0.238 -5.005 1.652
131 1HZ LYS 20 1HZ LYS 20 0.115 -7.283 2.511
132 2HZ LYS 20 2HZ LYS 20 1.260 -7.545 1.283
133 3HZ LYS 20 3HZ LYS 20 -0.367 -7.257 0.885
134 HA PRO 21 HA PRO 21 -2.845 -0.366 -2.797
135 1HB PRO 21 2HB PRO 21 -3.867 -2.163 -4.597
136 2HB PRO 21 1HB PRO 21 -2.749 -0.861 -5.012
137 1HG PRO 21 2HG PRO 21 -2.249 -3.738 -4.710
138 2HG PRO 21 1HG PRO 21 -1.409 -2.562 -5.705
139 1HD PRO 21 2HD PRO 21 -0.496 -3.622 -3.297
140 2HD PRO 21 1HD PRO 21 0.129 -2.169 -4.094
141 H THR 22 H THR 22 -4.621 -0.474 -1.606
142 HA THR 22 HA THR 22 -5.198 -2.555 0.236
143 HB THR 22 HB THR 22 -7.148 -1.186 0.683
144 HG1 THR 22 1HG THR 22 -6.676 0.163 -1.753
145 1HG2 THR 22 1HG2 THR 22 -4.529 -0.069 0.237
146 2HG2 THR 22 2HG2 THR 22 -5.718 0.369 1.464
147 3HG2 THR 22 3HG2 THR 22 -5.754 1.149 -0.117
148 H PHE 23 H PHE 23 -7.870 -1.660 -1.832
149 HA PHE 23 HA PHE 23 -8.710 -4.411 -2.158
150 1HB PHE 23 2HB PHE 23 -9.539 -1.710 -3.226
151 2HB PHE 23 1HB PHE 23 -10.348 -3.184 -3.759
152 HD1 PHE 23 1HD PHE 23 -10.869 -0.592 -1.670
153 HD2 PHE 23 2HD PHE 23 -10.534 -4.869 -1.456
154 HE1 PHE 23 1HE PHE 23 -12.231 -0.595 0.404
155 HE2 PHE 23 2HE PHE 23 -11.894 -4.872 0.617
156 HZ PHE 23 HZ PHE 23 -12.743 -2.735 1.548
Start of MODEL 5
1 1H GLU 1 1HT GLU 1 17.871 14.889 3.507
2 2H GLU 1 2HT GLU 1 17.162 15.573 4.892
3 3H GLU 1 3HT GLU 1 16.591 15.988 3.346
4 HA GLU 1 HA GLU 1 16.402 13.226 3.473
5 1HB GLU 1 2HB GLU 1 15.717 14.709 6.017
6 2HB GLU 1 1HB GLU 1 14.935 13.182 5.607
7 1HG GLU 1 2HG GLU 1 17.928 13.375 5.489
8 2HG GLU 1 1HG GLU 1 17.135 13.171 7.052
9 H ASN 2 H ASN 2 14.076 15.399 5.026
10 HA ASN 2 HA ASN 2 12.010 16.251 4.248
11 1HB ASN 2 2HB ASN 2 13.901 16.769 2.354
12 2HB ASN 2 1HB ASN 2 12.766 15.797 1.415
13 1HD2 ASN 2 1HD2 ASN 2 10.516 16.606 1.241
14 2HD2 ASN 2 2HD2 ASN 2 10.173 18.245 1.516
15 H PHE 3 H PHE 3 10.011 15.294 3.794
16 HA PHE 3 HA PHE 3 9.796 12.456 3.658
17 1HB PHE 3 2HB PHE 3 8.171 14.581 4.190
18 2HB PHE 3 1HB PHE 3 7.575 14.109 2.598
19 HD1 PHE 3 1HD PHE 3 7.505 11.373 2.339
20 HD2 PHE 3 2HD PHE 3 7.060 13.605 5.982
21 HE1 PHE 3 1HE PHE 3 6.287 9.468 3.358
22 HE2 PHE 3 2HE PHE 3 5.842 11.700 7.001
23 HZ PHE 3 HZ PHE 3 5.455 9.631 5.688
24 H ALA 4 H ALA 4 9.556 11.056 1.917
25 HA ALA 4 HA ALA 4 9.319 12.205 -0.827
26 1HB ALA 4 1HB ALA 4 11.204 10.068 -0.875
27 2HB ALA 4 2HB ALA 4 11.675 11.148 0.437
28 3HB ALA 4 3HB ALA 4 11.506 11.775 -1.203
29 H GLY 5 H GLY 5 7.209 10.981 0.426
30 1HA GLY 5 2HA GLY 5 7.108 8.130 0.180
31 2HA GLY 5 1HA GLY 5 5.703 9.193 0.247
32 H GLY 6 H GLY 6 5.942 6.891 -1.452
33 1HA GLY 6 2HA GLY 6 5.227 8.129 -3.992
34 2HA GLY 6 1HA GLY 6 6.731 7.209 -4.077
35 H CYS 7 H CYS 7 3.260 6.975 -3.573
36 HA CYS 7 HA CYS 7 3.496 3.996 -3.853
37 1HB CYS 7 2HB CYS 7 1.566 5.738 -2.292
38 2HB CYS 7 1HB CYS 7 1.378 3.999 -2.479
39 H ALA 8 H ALA 8 1.545 3.000 -4.886
40 HA ALA 8 HA ALA 8 0.790 4.436 -7.304
41 1HB ALA 8 1HB ALA 8 0.601 2.277 -7.924
42 2HB ALA 8 2HB ALA 8 -0.789 2.100 -6.854
43 3HB ALA 8 3HB ALA 8 0.836 1.773 -6.252
44 H THR 9 H THR 9 -1.831 3.841 -7.732
45 HA THR 9 HA THR 9 -3.369 5.879 -6.736
46 HB THR 9 HB THR 9 -4.353 4.535 -8.377
47 HG1 THR 9 1HG THR 9 -6.157 4.651 -7.339
48 1HG2 THR 9 1HG2 THR 9 -3.141 2.547 -8.394
49 2HG2 THR 9 2HG2 THR 9 -4.705 1.986 -7.802
50 3HG2 THR 9 3HG2 THR 9 -3.382 2.266 -6.670
51 H GLY 10 H GLY 10 -4.619 2.903 -5.412
52 1HA GLY 10 2HA GLY 10 -4.650 4.172 -2.734
53 2HA GLY 10 1HA GLY 10 -5.609 2.773 -3.222
54 H PHE 11 H PHE 11 -2.104 3.541 -3.168
55 HA PHE 11 HA PHE 11 -1.511 0.813 -2.221
56 1HB PHE 11 2HB PHE 11 -0.346 3.042 -3.737
57 2HB PHE 11 1HB PHE 11 0.770 2.289 -2.644
58 HD1 PHE 11 1HD PHE 11 2.108 0.635 -3.627
59 HD2 PHE 11 2HD PHE 11 -1.936 1.122 -4.980
60 HE1 PHE 11 1HE PHE 11 2.455 -1.161 -5.290
61 HE2 PHE 11 2HE PHE 11 -1.588 -0.680 -6.644
62 HZ PHE 11 HZ PHE 11 0.608 -1.818 -6.804
63 H MET 12 H MET 12 -1.312 0.609 0.018
64 HA MET 12 HA MET 12 -0.739 3.040 1.641
65 1HB MET 12 2HB MET 12 -2.591 1.085 1.871
66 2HB MET 12 1HB MET 12 -1.304 0.377 2.846
67 1HG MET 12 2HG MET 12 -2.042 3.255 3.266
68 2HG MET 12 1HG MET 12 -3.054 1.993 3.968
69 1HE MET 12 1HE MET 12 -0.131 4.135 4.103
70 2HE MET 12 2HE MET 12 0.501 3.829 5.718
71 3HE MET 12 3HE MET 12 -1.177 4.325 5.516
72 H ARG 13 H ARG 13 1.231 3.302 2.623
73 HA ARG 13 HA ARG 13 3.505 1.737 1.991
74 1HB ARG 13 2HB ARG 13 3.027 4.127 3.126
75 2HB ARG 13 1HB ARG 13 3.378 3.199 4.586
76 1HG ARG 13 2HG ARG 13 5.446 4.180 3.712
77 2HG ARG 13 1HG ARG 13 5.503 2.424 3.553
78 1HD ARG 13 2HD ARG 13 5.733 2.598 1.309
79 2HD ARG 13 1HD ARG 13 4.271 3.598 1.204
80 HE ARG 13 HE ARG 13 5.643 5.573 1.579
81 1HH1 ARG 13 1HH1 ARG 13 7.139 3.725 -0.466
82 2HH1 ARG 13 2HH1 ARG 13 8.768 3.958 0.075
83 1HH2 ARG 13 1HH2 ARG 13 7.843 5.395 3.092
84 2HH2 ARG 13 2HH2 ARG 13 9.167 4.904 2.088
85 H THR 14 H THR 14 4.123 -0.252 2.731
86 HA THR 14 HA THR 14 2.676 -1.481 4.998
87 HB THR 14 HB THR 14 3.750 -3.509 4.180
88 HG1 THR 14 1HG THR 14 5.796 -2.614 3.780
89 1HG2 THR 14 1HG2 THR 14 3.201 -3.228 1.652
90 2HG2 THR 14 2HG2 THR 14 2.683 -1.605 2.109
91 3HG2 THR 14 3HG2 THR 14 1.900 -3.014 2.823
92 H ALA 15 H ALA 15 3.753 -2.238 6.887
93 HA ALA 15 HA ALA 15 5.607 -0.681 8.197
94 1HB ALA 15 1HB ALA 15 4.734 -3.514 8.271
95 2HB ALA 15 2HB ALA 15 4.735 -2.306 9.556
96 3HB ALA 15 3HB ALA 15 6.225 -3.155 9.143
97 H ASP 16 H ASP 16 6.306 -3.135 5.758
98 HA ASP 16 HA ASP 16 9.152 -3.292 6.235
99 1HB ASP 16 2HB ASP 16 7.155 -4.444 4.579
100 2HB ASP 16 1HB ASP 16 8.387 -3.790 3.498
101 H GLY 17 H GLY 17 7.151 -0.896 4.806
102 1HA GLY 17 2HA GLY 17 7.972 1.293 4.202
103 2HA GLY 17 1HA GLY 17 9.563 0.584 3.912
104 H ARG 18 H ARG 18 6.389 -0.497 2.716
105 HA ARG 18 HA ARG 18 7.301 0.156 -0.064
106 1HB ARG 18 2HB ARG 18 6.008 -2.437 0.811
107 2HB ARG 18 1HB ARG 18 6.753 -2.086 -0.748
108 1HG ARG 18 2HG ARG 18 8.947 -1.879 0.301
109 2HG ARG 18 1HG ARG 18 8.233 -2.106 1.899
110 1HD ARG 18 2HD ARG 18 8.899 -4.290 1.477
111 2HD ARG 18 1HD ARG 18 7.298 -4.341 0.713
112 HE ARG 18 HE ARG 18 9.098 -3.308 -1.209
113 1HH1 ARG 18 1HH2 ARG 18 11.050 -5.251 -0.248
114 2HH1 ARG 18 2HH2 ARG 18 10.619 -6.707 -1.079
115 1HH2 ARG 18 1HH1 ARG 18 7.446 -5.596 -1.930
116 2HH2 ARG 18 2HH1 ARG 18 8.577 -6.904 -2.031
117 H CYS 19 H CYS 19 5.537 0.402 -1.583
118 HA CYS 19 HA CYS 19 3.017 1.312 -0.343
119 1HB CYS 19 2HB CYS 19 4.162 1.326 -3.149
120 2HB CYS 19 1HB CYS 19 2.672 2.141 -2.672
121 H LYS 20 H LYS 20 1.388 -0.182 -0.100
122 HA LYS 20 HA LYS 20 1.130 -2.330 -2.182
123 1HB LYS 20 2HB LYS 20 1.862 -2.786 0.316
124 2HB LYS 20 1HB LYS 20 0.138 -2.598 0.642
125 1HG LYS 20 2HG LYS 20 -0.429 -4.513 -0.495
126 2HG LYS 20 1HG LYS 20 0.892 -4.342 -1.652
127 1HD LYS 20 2HD LYS 20 2.462 -5.292 -0.199
128 2HD LYS 20 1HD LYS 20 1.495 -4.938 1.233
129 1HE LYS 20 2HE LYS 20 -0.238 -6.571 -0.030
130 2HE LYS 20 1HE LYS 20 1.283 -7.225 -0.668
131 1HZ LYS 20 1HZ LYS 20 0.330 -7.905 1.710
132 2HZ LYS 20 2HZ LYS 20 1.238 -6.542 2.163
133 3HZ LYS 20 3HZ LYS 20 1.991 -7.845 1.374
134 HA PRO 21 HA PRO 21 -2.787 -0.372 -2.746
135 1HB PRO 21 2HB PRO 21 -3.820 -2.205 -4.507
136 2HB PRO 21 1HB PRO 21 -2.713 -0.904 -4.955
137 1HG PRO 21 2HG PRO 21 -2.189 -3.774 -4.592
138 2HG PRO 21 1HG PRO 21 -1.381 -2.617 -5.637
139 1HD PRO 21 2HD PRO 21 -0.390 -3.599 -3.238
140 2HD PRO 21 1HD PRO 21 0.171 -2.134 -4.059
141 H THR 22 H THR 22 -4.547 -0.464 -1.537
142 HA THR 22 HA THR 22 -5.092 -2.746 0.191
143 HB THR 22 HB THR 22 -6.555 -1.203 1.243
144 HG1 THR 22 1HG THR 22 -6.604 0.409 -1.067
145 1HG2 THR 22 1HG2 THR 22 -4.011 -0.394 0.595
146 2HG2 THR 22 2HG2 THR 22 -5.081 0.474 1.696
147 3HG2 THR 22 3HG2 THR 22 -4.975 0.960 0.004
148 H PHE 23 H PHE 23 -6.140 -1.741 -2.936
149 HA PHE 23 HA PHE 23 -8.514 -3.569 -2.774
150 1HB PHE 23 2HB PHE 23 -7.987 -0.904 -3.888
151 2HB PHE 23 1HB PHE 23 -8.780 -1.986 -5.033
152 HD1 PHE 23 1HD PHE 23 -11.088 -1.701 -5.058
153 HD2 PHE 23 2HD PHE 23 -8.991 -1.462 -1.318
154 HE1 PHE 23 1HE PHE 23 -13.241 -1.383 -3.872
155 HE2 PHE 23 2HE PHE 23 -11.145 -1.144 -0.131
156 HZ PHE 23 HZ PHE 23 -13.270 -1.104 -1.408
Start of MODEL 6
1 1H GLU 1 1HT GLU 1 7.794 12.792 6.622
2 2H GLU 1 2HT GLU 1 7.499 11.490 7.674
3 3H GLU 1 3HT GLU 1 6.965 11.422 6.062
4 HA GLU 1 HA GLU 1 9.791 11.394 6.997
5 1HB GLU 1 2HB GLU 1 7.823 9.416 5.826
6 2HB GLU 1 1HB GLU 1 9.562 9.121 5.805
7 1HG GLU 1 2HG GLU 1 9.160 8.173 7.843
8 2HG GLU 1 1HG GLU 1 9.226 9.845 8.403
9 H ASN 2 H ASN 2 9.737 13.453 5.486
10 HA ASN 2 HA ASN 2 9.358 13.109 2.648
11 1HB ASN 2 2HB ASN 2 9.745 15.167 4.431
12 2HB ASN 2 1HB ASN 2 11.295 15.127 3.589
13 1HD2 ASN 2 1HD2 ASN 2 7.807 14.812 2.670
14 2HD2 ASN 2 2HD2 ASN 2 7.930 15.819 1.309
15 H PHE 3 H PHE 3 10.678 10.915 2.802
16 HA PHE 3 HA PHE 3 13.417 11.511 1.805
17 1HB PHE 3 2HB PHE 3 12.672 10.328 4.376
18 2HB PHE 3 1HB PHE 3 13.747 9.283 3.448
19 HD1 PHE 3 1HD PHE 3 14.099 11.227 6.043
20 HD2 PHE 3 2HD PHE 3 15.300 11.322 1.919
21 HE1 PHE 3 1HE PHE 3 16.023 12.675 6.637
22 HE2 PHE 3 2HE PHE 3 17.224 12.770 2.514
23 HZ PHE 3 HZ PHE 3 17.585 13.447 4.873
24 H ALA 4 H ALA 4 12.807 10.731 -0.268
25 HA ALA 4 HA ALA 4 12.255 9.119 -1.914
26 1HB ALA 4 1HB ALA 4 13.885 7.559 -1.723
27 2HB ALA 4 2HB ALA 4 13.122 6.855 -0.298
28 3HB ALA 4 3HB ALA 4 14.221 8.223 -0.124
29 H GLY 5 H GLY 5 9.969 9.075 -1.915
30 1HA GLY 5 2HA GLY 5 8.763 6.737 -0.567
31 2HA GLY 5 1HA GLY 5 8.080 8.312 -0.162
32 H GLY 6 H GLY 6 6.061 7.918 -1.161
33 1HA GLY 6 2HA GLY 6 4.771 8.503 -3.133
34 2HA GLY 6 1HA GLY 6 6.147 8.035 -4.132
35 H CYS 7 H CYS 7 3.164 7.108 -3.765
36 HA CYS 7 HA CYS 7 3.822 4.201 -4.023
37 1HB CYS 7 2HB CYS 7 1.732 5.537 -2.278
38 2HB CYS 7 1HB CYS 7 1.747 3.806 -2.616
39 H ALA 8 H ALA 8 1.589 3.077 -4.754
40 HA ALA 8 HA ALA 8 0.800 4.428 -7.234
41 1HB ALA 8 1HB ALA 8 0.633 2.253 -7.794
42 2HB ALA 8 2HB ALA 8 -0.747 2.100 -6.709
43 3HB ALA 8 3HB ALA 8 0.884 1.786 -6.113
44 H THR 9 H THR 9 -1.803 3.916 -7.616
45 HA THR 9 HA THR 9 -3.286 5.943 -6.495
46 HB THR 9 HB THR 9 -4.269 4.743 -8.247
47 HG1 THR 9 1HG THR 9 -5.940 5.114 -6.916
48 1HG2 THR 9 1HG2 THR 9 -4.730 2.119 -7.463
49 2HG2 THR 9 2HG2 THR 9 -3.115 2.455 -6.840
50 3HG2 THR 9 3HG2 THR 9 -3.457 2.658 -8.558
51 H GLY 10 H GLY 10 -4.713 2.970 -5.403
52 1HA GLY 10 2HA GLY 10 -4.810 4.050 -2.668
53 2HA GLY 10 1HA GLY 10 -5.679 2.631 -3.253
54 H PHE 11 H PHE 11 -2.199 3.498 -3.120
55 HA PHE 11 HA PHE 11 -1.563 0.792 -2.135
56 1HB PHE 11 2HB PHE 11 -0.418 3.029 -3.664
57 2HB PHE 11 1HB PHE 11 0.699 2.272 -2.575
58 HD1 PHE 11 1HD PHE 11 -2.031 1.084 -4.875
59 HD2 PHE 11 2HD PHE 11 2.043 0.641 -3.596
60 HE1 PHE 11 1HE PHE 11 -1.689 -0.705 -6.552
61 HE2 PHE 11 2HE PHE 11 2.376 -1.154 -5.261
62 HZ PHE 11 HZ PHE 11 0.513 -1.823 -6.749
63 H MET 12 H MET 12 -1.446 0.650 0.121
64 HA MET 12 HA MET 12 -0.843 3.114 1.682
65 1HB MET 12 2HB MET 12 -2.838 1.592 2.099
66 2HB MET 12 1HB MET 12 -1.690 0.359 2.625
67 1HG MET 12 2HG MET 12 -0.935 1.702 4.450
68 2HG MET 12 1HG MET 12 -1.735 3.139 3.817
69 1HE MET 12 1HE MET 12 -4.436 3.535 5.785
70 2HE MET 12 2HE MET 12 -2.765 3.920 5.380
71 3HE MET 12 3HE MET 12 -3.120 2.983 6.830
72 H ARG 13 H ARG 13 1.271 3.413 2.221
73 HA ARG 13 HA ARG 13 3.452 1.769 1.828
74 1HB ARG 13 2HB ARG 13 3.301 4.165 2.682
75 2HB ARG 13 1HB ARG 13 3.045 3.485 4.290
76 1HG ARG 13 2HG ARG 13 5.327 3.618 4.384
77 2HG ARG 13 1HG ARG 13 5.222 2.070 3.542
78 1HD ARG 13 2HD ARG 13 6.723 3.368 2.220
79 2HD ARG 13 1HD ARG 13 5.172 3.492 1.368
80 HE ARG 13 HE ARG 13 5.292 5.796 1.837
81 1HH1 ARG 13 1HH1 ARG 13 8.003 4.904 3.311
82 2HH1 ARG 13 2HH1 ARG 13 7.817 5.837 4.759
83 1HH2 ARG 13 1HH2 ARG 13 4.487 6.596 4.159
84 2HH2 ARG 13 2HH2 ARG 13 5.827 6.794 5.240
85 H THR 14 H THR 14 4.073 -0.197 2.642
86 HA THR 14 HA THR 14 2.578 -1.343 4.932
87 HB THR 14 HB THR 14 3.559 -3.417 4.156
88 HG1 THR 14 1HG THR 14 5.403 -3.439 3.162
89 1HG2 THR 14 1HG2 THR 14 2.801 -1.572 1.878
90 2HG2 THR 14 2HG2 THR 14 1.732 -2.651 2.775
91 3HG2 THR 14 3HG2 THR 14 2.969 -3.320 1.710
92 H ALA 15 H ALA 15 3.601 -1.957 6.881
93 HA ALA 15 HA ALA 15 5.582 -0.428 8.047
94 1HB ALA 15 1HB ALA 15 4.108 -2.210 9.067
95 2HB ALA 15 2HB ALA 15 5.774 -2.245 9.642
96 3HB ALA 15 3HB ALA 15 5.232 -3.416 8.439
97 H ASP 16 H ASP 16 6.040 -3.033 5.738
98 HA ASP 16 HA ASP 16 8.856 -3.473 6.223
99 1HB ASP 16 2HB ASP 16 6.767 -4.150 4.229
100 2HB ASP 16 1HB ASP 16 8.425 -4.187 3.627
101 H GLY 17 H GLY 17 7.162 -0.844 4.893
102 1HA GLY 17 2HA GLY 17 8.171 1.203 4.179
103 2HA GLY 17 1HA GLY 17 9.692 0.342 3.940
104 H ARG 18 H ARG 18 6.456 -0.451 2.665
105 HA ARG 18 HA ARG 18 7.454 0.171 -0.083
106 1HB ARG 18 2HB ARG 18 6.466 -2.465 1.015
107 2HB ARG 18 1HB ARG 18 6.458 -2.117 -0.714
108 1HG ARG 18 2HG ARG 18 8.805 -1.946 -0.818
109 2HG ARG 18 1HG ARG 18 8.956 -1.718 0.925
110 1HD ARG 18 2HD ARG 18 9.339 -3.947 1.094
111 2HD ARG 18 1HD ARG 18 7.659 -4.211 0.588
112 HE ARG 18 HE ARG 18 9.975 -4.036 -1.299
113 1HH1 ARG 18 1HH1 ARG 18 6.633 -3.909 -1.255
114 2HH1 ARG 18 2HH1 ARG 18 6.386 -5.212 -2.368
115 1HH2 ARG 18 1HH2 ARG 18 9.722 -6.155 -2.417
116 2HH2 ARG 18 2HH2 ARG 18 8.134 -6.481 -3.028
117 H CYS 19 H CYS 19 5.692 0.293 -1.663
118 HA CYS 19 HA CYS 19 3.179 1.315 -0.488
119 1HB CYS 19 2HB CYS 19 4.319 1.171 -3.294
120 2HB CYS 19 1HB CYS 19 2.881 2.080 -2.828
121 H LYS 20 H LYS 20 1.467 -0.091 -0.267
122 HA LYS 20 HA LYS 20 1.194 -2.289 -2.290
123 1HB LYS 20 2HB LYS 20 2.051 -2.802 0.136
124 2HB LYS 20 1HB LYS 20 0.363 -2.564 0.591
125 1HG LYS 20 2HG LYS 20 -0.376 -4.385 -0.687
126 2HG LYS 20 1HG LYS 20 1.062 -4.372 -1.710
127 1HD LYS 20 2HD LYS 20 1.870 -6.011 -0.384
128 2HD LYS 20 1HD LYS 20 2.073 -4.774 0.856
129 1HE LYS 20 2HE LYS 20 -0.652 -5.444 0.973
130 2HE LYS 20 1HE LYS 20 0.197 -6.992 0.800
131 1HZ LYS 20 1HZ LYS 20 0.406 -4.990 2.917
132 2HZ LYS 20 2HZ LYS 20 1.839 -5.779 2.459
133 3HZ LYS 20 3HZ LYS 20 0.510 -6.679 3.014
134 HA PRO 21 HA PRO 21 -2.783 -0.421 -2.648
135 1HB PRO 21 2HB PRO 21 -3.864 -2.266 -4.361
136 2HB PRO 21 1HB PRO 21 -2.789 -0.957 -4.859
137 1HG PRO 21 2HG PRO 21 -2.233 -3.818 -4.545
138 2HG PRO 21 1HG PRO 21 -1.450 -2.641 -5.582
139 1HD PRO 21 2HD PRO 21 -0.440 -3.669 -3.189
140 2HD PRO 21 1HD PRO 21 0.162 -2.242 -4.048
141 H THR 22 H THR 22 -4.666 -0.597 -1.574
142 HA THR 22 HA THR 22 -5.026 -2.827 0.290
143 HB THR 22 HB THR 22 -6.565 -1.332 1.301
144 HG1 THR 22 1HG THR 22 -6.717 0.212 -1.047
145 1HG2 THR 22 1HG2 THR 22 -5.203 0.935 0.082
146 2HG2 THR 22 2HG2 THR 22 -4.075 -0.368 0.454
147 3HG2 THR 22 3HG2 THR 22 -5.082 0.318 1.730
148 H PHE 23 H PHE 23 -5.321 -3.678 -2.446
149 HA PHE 23 HA PHE 23 -8.239 -4.368 -2.457
150 1HB PHE 23 2HB PHE 23 -7.225 -2.603 -4.150
151 2HB PHE 23 1HB PHE 23 -6.650 -4.046 -4.984
152 HD1 PHE 23 1HD PHE 23 -9.002 -1.823 -5.503
153 HD2 PHE 23 2HD PHE 23 -8.829 -5.969 -4.392
154 HE1 PHE 23 1HE PHE 23 -11.263 -2.174 -6.460
155 HE2 PHE 23 2HE PHE 23 -11.090 -6.319 -5.349
156 HZ PHE 23 HZ PHE 23 -12.307 -4.422 -6.382
Start of MODEL 7
1 1H GLU 1 1HT GLU 1 9.506 15.453 0.232
2 2H GLU 1 2HT GLU 1 8.698 15.613 1.717
3 3H GLU 1 3HT GLU 1 9.914 14.442 1.530
4 HA GLU 1 HA GLU 1 10.165 17.335 1.939
5 1HB GLU 1 2HB GLU 1 11.031 14.726 3.012
6 2HB GLU 1 1HB GLU 1 12.298 15.953 2.995
7 1HG GLU 1 2HG GLU 1 11.267 17.225 4.580
8 2HG GLU 1 1HG GLU 1 9.657 16.893 3.940
9 H ASN 2 H ASN 2 12.515 14.796 1.055
10 HA ASN 2 HA ASN 2 13.657 16.695 -0.968
11 1HB ASN 2 2HB ASN 2 14.771 15.538 1.280
12 2HB ASN 2 1HB ASN 2 15.301 14.450 -0.004
13 1HD2 ASN 2 1HD2 ASN 2 17.391 15.769 1.022
14 2HD2 ASN 2 2HD2 ASN 2 17.867 17.087 0.065
15 H PHE 3 H PHE 3 11.811 15.562 -2.311
16 HA PHE 3 HA PHE 3 11.300 14.095 -4.093
17 1HB PHE 3 2HB PHE 3 14.008 14.706 -4.124
18 2HB PHE 3 1HB PHE 3 13.995 12.945 -4.217
19 HD1 PHE 3 1HD PHE 3 12.298 15.945 -5.696
20 HD2 PHE 3 2HD PHE 3 13.652 11.913 -6.286
21 HE1 PHE 3 1HE PHE 3 11.648 16.078 -8.085
22 HE2 PHE 3 2HE PHE 3 13.003 12.043 -8.676
23 HZ PHE 3 HZ PHE 3 11.999 14.126 -9.575
24 H ALA 4 H ALA 4 11.322 11.679 -4.648
25 HA ALA 4 HA ALA 4 11.067 9.416 -3.999
26 1HB ALA 4 1HB ALA 4 12.807 8.648 -2.703
27 2HB ALA 4 2HB ALA 4 12.572 9.894 -1.477
28 3HB ALA 4 3HB ALA 4 13.422 10.279 -2.974
29 H GLY 5 H GLY 5 9.774 8.168 -2.472
30 1HA GLY 5 2HA GLY 5 8.473 7.970 -0.428
31 2HA GLY 5 1HA GLY 5 8.508 9.727 -0.275
32 H GLY 6 H GLY 6 7.152 7.092 -2.245
33 1HA GLY 6 2HA GLY 6 4.587 8.448 -2.388
34 2HA GLY 6 1HA GLY 6 5.440 8.480 -3.933
35 H CYS 7 H CYS 7 3.052 7.119 -3.818
36 HA CYS 7 HA CYS 7 3.960 4.310 -4.223
37 1HB CYS 7 2HB CYS 7 1.683 5.245 -2.449
38 2HB CYS 7 1HB CYS 7 1.978 3.562 -2.878
39 H ALA 8 H ALA 8 1.351 3.264 -4.644
40 HA ALA 8 HA ALA 8 0.687 4.572 -7.227
41 1HB ALA 8 1HB ALA 8 0.583 2.400 -7.816
42 2HB ALA 8 2HB ALA 8 -0.830 2.223 -6.776
43 3HB ALA 8 3HB ALA 8 0.783 1.910 -6.135
44 H THR 9 H THR 9 -1.915 4.023 -7.612
45 HA THR 9 HA THR 9 -3.439 6.005 -6.494
46 HB THR 9 HB THR 9 -4.436 4.746 -8.193
47 HG1 THR 9 1HG THR 9 -6.111 3.411 -6.876
48 1HG2 THR 9 1HG2 THR 9 -3.243 2.483 -6.724
49 2HG2 THR 9 2HG2 THR 9 -3.462 2.710 -8.459
50 3HG2 THR 9 3HG2 THR 9 -4.801 2.130 -7.470
51 H GLY 10 H GLY 10 -4.715 2.989 -5.310
52 1HA GLY 10 2HA GLY 10 -4.736 4.128 -2.581
53 2HA GLY 10 1HA GLY 10 -5.675 2.738 -3.126
54 H PHE 11 H PHE 11 -2.174 3.528 -3.052
55 HA PHE 11 HA PHE 11 -1.568 0.784 -2.153
56 1HB PHE 11 2HB PHE 11 -0.402 3.053 -3.621
57 2HB PHE 11 1HB PHE 11 0.710 2.256 -2.557
58 HD1 PHE 11 1HD PHE 11 -1.999 1.225 -4.953
59 HD2 PHE 11 2HD PHE 11 2.010 0.579 -3.565
60 HE1 PHE 11 1HE PHE 11 -1.669 -0.512 -6.686
61 HE2 PHE 11 2HE PHE 11 2.331 -1.164 -5.285
62 HZ PHE 11 HZ PHE 11 0.495 -1.708 -6.854
63 H MET 12 H MET 12 -1.358 0.556 0.092
64 HA MET 12 HA MET 12 -0.801 2.978 1.734
65 1HB MET 12 2HB MET 12 -2.692 1.162 2.010
66 2HB MET 12 1HB MET 12 -1.412 0.227 2.782
67 1HG MET 12 2HG MET 12 -2.083 1.355 4.652
68 2HG MET 12 1HG MET 12 -1.053 2.629 3.999
69 1HE MET 12 1HE MET 12 -5.468 2.109 3.054
70 2HE MET 12 2HE MET 12 -4.978 1.653 4.684
71 3HE MET 12 3HE MET 12 -4.207 0.891 3.294
72 H ARG 13 H ARG 13 1.290 3.318 2.349
73 HA ARG 13 HA ARG 13 3.504 1.686 1.847
74 1HB ARG 13 2HB ARG 13 2.909 4.110 3.108
75 2HB ARG 13 1HB ARG 13 3.708 3.157 4.359
76 1HG ARG 13 2HG ARG 13 5.590 3.996 3.344
77 2HG ARG 13 1HG ARG 13 5.345 2.597 2.298
78 1HD ARG 13 2HD ARG 13 5.297 4.097 0.582
79 2HD ARG 13 1HD ARG 13 3.687 4.548 1.180
80 HE ARG 13 HE ARG 13 6.204 5.875 2.122
81 1HH1 ARG 13 1HH1 ARG 13 3.984 6.768 0.007
82 2HH1 ARG 13 2HH1 ARG 13 3.236 8.025 0.934
83 1HH2 ARG 13 1HH2 ARG 13 4.757 7.098 3.910
84 2HH2 ARG 13 2HH2 ARG 13 3.673 8.211 3.143
85 H THR 14 H THR 14 4.180 -0.235 2.714
86 HA THR 14 HA THR 14 2.733 -1.368 5.031
87 HB THR 14 HB THR 14 3.789 -3.419 4.305
88 HG1 THR 14 1HG THR 14 5.498 -3.401 2.893
89 1HG2 THR 14 1HG2 THR 14 3.264 -1.802 1.802
90 2HG2 THR 14 2HG2 THR 14 1.983 -2.417 2.846
91 3HG2 THR 14 3HG2 THR 14 3.060 -3.540 2.016
92 H ALA 15 H ALA 15 3.758 -1.879 7.007
93 HA ALA 15 HA ALA 15 5.661 -0.235 8.147
94 1HB ALA 15 1HB ALA 15 6.151 -2.693 9.318
95 2HB ALA 15 2HB ALA 15 4.563 -2.924 8.586
96 3HB ALA 15 3HB ALA 15 4.819 -1.617 9.743
97 H ASP 16 H ASP 16 6.258 -2.979 6.018
98 HA ASP 16 HA ASP 16 9.091 -3.219 6.537
99 1HB ASP 16 2HB ASP 16 7.057 -4.469 5.022
100 2HB ASP 16 1HB ASP 16 8.285 -3.967 3.859
101 H GLY 17 H GLY 17 7.219 -0.885 4.864
102 1HA GLY 17 2HA GLY 17 8.164 1.184 4.053
103 2HA GLY 17 1HA GLY 17 9.705 0.356 3.822
104 H ARG 18 H ARG 18 6.411 -0.495 2.713
105 HA ARG 18 HA ARG 18 7.369 -0.180 -0.103
106 1HB ARG 18 2HB ARG 18 5.987 -2.618 1.050
107 2HB ARG 18 1HB ARG 18 6.564 -2.430 -0.606
108 1HG ARG 18 2HG ARG 18 8.354 -2.288 1.836
109 2HG ARG 18 1HG ARG 18 8.130 -3.740 0.859
110 1HD ARG 18 2HD ARG 18 9.306 -2.876 -0.944
111 2HD ARG 18 1HD ARG 18 8.883 -1.200 -0.545
112 HE ARG 18 HE ARG 18 10.440 -2.296 1.589
113 1HH1 ARG 18 1HH1 ARG 18 11.017 -2.177 -1.745
114 2HH1 ARG 18 2HH1 ARG 18 12.518 -1.321 -1.619
115 1HH2 ARG 18 1HH2 ARG 18 12.229 -0.785 1.795
116 2HH2 ARG 18 2HH2 ARG 18 13.204 -0.533 0.386
117 H CYS 19 H CYS 19 5.641 0.074 -1.628
118 HA CYS 19 HA CYS 19 3.145 1.173 -0.473
119 1HB CYS 19 2HB CYS 19 4.315 1.020 -3.269
120 2HB CYS 19 1HB CYS 19 2.900 1.964 -2.811
121 H LYS 20 H LYS 20 1.355 -0.147 -0.333
122 HA LYS 20 HA LYS 20 1.078 -2.371 -2.329
123 1HB LYS 20 2HB LYS 20 1.448 -2.434 0.528
124 2HB LYS 20 1HB LYS 20 -0.140 -3.096 0.132
125 1HG LYS 20 2HG LYS 20 1.049 -4.485 -1.660
126 2HG LYS 20 1HG LYS 20 2.558 -4.009 -0.880
127 1HD LYS 20 2HD LYS 20 1.894 -5.030 1.200
128 2HD LYS 20 1HD LYS 20 0.262 -5.318 0.597
129 1HE LYS 20 2HE LYS 20 1.005 -6.997 -0.929
130 2HE LYS 20 1HE LYS 20 2.704 -6.519 -0.738
131 1HZ LYS 20 1HZ LYS 20 2.859 -7.501 1.278
132 2HZ LYS 20 2HZ LYS 20 1.603 -8.477 0.676
133 3HZ LYS 20 3HZ LYS 20 1.251 -7.166 1.700
134 HA PRO 21 HA PRO 21 -2.841 -0.374 -2.772
135 1HB PRO 21 2HB PRO 21 -3.898 -2.142 -4.581
136 2HB PRO 21 1HB PRO 21 -2.784 -0.837 -4.999
137 1HG PRO 21 2HG PRO 21 -2.293 -3.718 -4.768
138 2HG PRO 21 1HG PRO 21 -1.451 -2.518 -5.735
139 1HD PRO 21 2HD PRO 21 -0.548 -3.654 -3.343
140 2HD PRO 21 1HD PRO 21 0.115 -2.215 -4.138
141 H THR 22 H THR 22 -4.780 -0.566 -1.789
142 HA THR 22 HA THR 22 -5.245 -2.830 -0.002
143 HB THR 22 HB THR 22 -6.903 -1.367 0.902
144 HG1 THR 22 1HG THR 22 -6.792 0.253 -1.398
145 1HG2 THR 22 1HG2 THR 22 -5.624 0.498 1.388
146 2HG2 THR 22 2HG2 THR 22 -5.154 0.742 -0.295
147 3HG2 THR 22 3HG2 THR 22 -4.376 -0.517 0.664
148 H PHE 23 H PHE 23 -6.665 -1.553 -2.986
149 HA PHE 23 HA PHE 23 -8.815 -3.581 -2.981
150 1HB PHE 23 2HB PHE 23 -7.986 -1.183 -4.575
151 2HB PHE 23 1HB PHE 23 -9.064 -2.355 -5.332
152 HD1 PHE 23 1HD PHE 23 -11.091 -3.154 -3.822
153 HD2 PHE 23 2HD PHE 23 -8.917 0.508 -3.262
154 HE1 PHE 23 1HE PHE 23 -13.007 -2.208 -2.563
155 HE2 PHE 23 2HE PHE 23 -10.832 1.454 -2.003
156 HZ PHE 23 HZ PHE 23 -12.878 0.096 -1.654
Start of MODEL 8
1 1H GLU 1 1HT GLU 1 13.205 8.867 -12.791
2 2H GLU 1 2HT GLU 1 13.052 10.142 -11.679
3 3H GLU 1 3HT GLU 1 11.672 9.312 -12.221
4 HA GLU 1 HA GLU 1 12.712 7.237 -11.195
5 1HB GLU 1 2HB GLU 1 14.539 9.486 -10.517
6 2HB GLU 1 1HB GLU 1 14.231 8.321 -9.229
7 1HG GLU 1 2HG GLU 1 14.627 6.685 -11.411
8 2HG GLU 1 1HG GLU 1 15.766 7.997 -11.714
9 H ASN 2 H ASN 2 12.304 10.457 -9.661
10 HA ASN 2 HA ASN 2 10.692 11.186 -8.089
11 1HB ASN 2 2HB ASN 2 9.402 9.654 -9.897
12 2HB ASN 2 1HB ASN 2 9.134 8.671 -8.457
13 1HD2 ASN 2 1HD2 ASN 2 7.549 10.909 -10.193
14 2HD2 ASN 2 2HD2 ASN 2 6.744 11.759 -8.964
15 H PHE 3 H PHE 3 10.729 11.010 -5.863
16 HA PHE 3 HA PHE 3 12.335 9.241 -4.437
17 1HB PHE 3 2HB PHE 3 10.021 11.011 -3.898
18 2HB PHE 3 1HB PHE 3 10.350 9.807 -2.652
19 HD1 PHE 3 1HD PHE 3 12.128 10.102 -1.128
20 HD2 PHE 3 2HD PHE 3 11.975 12.469 -4.709
21 HE1 PHE 3 1HE PHE 3 14.024 11.473 -0.303
22 HE2 PHE 3 2HE PHE 3 13.871 13.839 -3.884
23 HZ PHE 3 HZ PHE 3 14.895 13.340 -1.681
24 H ALA 4 H ALA 4 12.222 7.044 -4.237
25 HA ALA 4 HA ALA 4 10.149 5.369 -5.137
26 1HB ALA 4 1HB ALA 4 12.344 4.527 -4.671
27 2HB ALA 4 2HB ALA 4 11.269 3.730 -3.522
28 3HB ALA 4 3HB ALA 4 12.271 5.083 -2.998
29 H GLY 5 H GLY 5 10.303 7.276 -2.242
30 1HA GLY 5 2HA GLY 5 8.628 5.799 -0.500
31 2HA GLY 5 1HA GLY 5 8.759 7.558 -0.497
32 H GLY 6 H GLY 6 7.821 7.905 -3.227
33 1HA GLY 6 2HA GLY 6 5.082 8.284 -2.850
34 2HA GLY 6 1HA GLY 6 5.809 8.049 -4.440
35 H CYS 7 H CYS 7 3.231 7.069 -3.782
36 HA CYS 7 HA CYS 7 3.727 4.118 -3.956
37 1HB CYS 7 2HB CYS 7 1.681 5.673 -2.346
38 2HB CYS 7 1HB CYS 7 1.589 3.931 -2.596
39 H ALA 8 H ALA 8 1.520 3.067 -4.761
40 HA ALA 8 HA ALA 8 0.829 4.418 -7.277
41 1HB ALA 8 1HB ALA 8 0.657 2.248 -7.854
42 2HB ALA 8 2HB ALA 8 -0.733 2.084 -6.783
43 3HB ALA 8 3HB ALA 8 0.894 1.776 -6.173
44 H THR 9 H THR 9 -1.779 3.866 -7.719
45 HA THR 9 HA THR 9 -3.309 5.901 -6.703
46 HB THR 9 HB THR 9 -4.268 4.589 -8.390
47 HG1 THR 9 1HG THR 9 -6.100 3.507 -7.311
48 1HG2 THR 9 1HG2 THR 9 -4.699 2.027 -7.726
49 2HG2 THR 9 2HG2 THR 9 -3.278 2.325 -6.725
50 3HG2 THR 9 3HG2 THR 9 -3.192 2.559 -8.470
51 H GLY 10 H GLY 10 -4.655 2.944 -5.454
52 1HA GLY 10 2HA GLY 10 -4.720 4.160 -2.761
53 2HA GLY 10 1HA GLY 10 -5.653 2.756 -3.283
54 H PHE 11 H PHE 11 -2.157 3.550 -3.161
55 HA PHE 11 HA PHE 11 -1.565 0.826 -2.200
56 1HB PHE 11 2HB PHE 11 -0.394 3.046 -3.722
57 2HB PHE 11 1HB PHE 11 0.717 2.296 -2.620
58 HD1 PHE 11 1HD PHE 11 -2.003 1.098 -4.925
59 HD2 PHE 11 2HD PHE 11 2.063 0.652 -3.621
60 HE1 PHE 11 1HE PHE 11 -1.659 -0.707 -6.585
61 HE2 PHE 11 2HE PHE 11 2.399 -1.157 -5.270
62 HZ PHE 11 HZ PHE 11 0.540 -1.834 -6.761
63 H MET 12 H MET 12 -1.357 0.626 0.035
64 HA MET 12 HA MET 12 -0.798 3.063 1.655
65 1HB MET 12 2HB MET 12 -2.533 0.889 1.862
66 2HB MET 12 1HB MET 12 -1.277 0.536 3.049
67 1HG MET 12 2HG MET 12 -1.607 3.089 3.674
68 2HG MET 12 1HG MET 12 -3.191 2.837 2.942
69 1HE MET 12 1HE MET 12 -2.097 2.204 7.078
70 2HE MET 12 2HE MET 12 -2.794 3.560 6.195
71 3HE MET 12 3HE MET 12 -1.193 2.965 5.761
72 H ARG 13 H ARG 13 1.170 3.326 2.657
73 HA ARG 13 HA ARG 13 3.449 1.775 1.998
74 1HB ARG 13 2HB ARG 13 2.692 3.791 4.086
75 2HB ARG 13 1HB ARG 13 4.257 2.987 4.210
76 1HG ARG 13 2HG ARG 13 3.686 3.883 1.487
77 2HG ARG 13 1HG ARG 13 3.697 5.215 2.644
78 1HD ARG 13 2HD ARG 13 5.900 3.845 3.477
79 2HD ARG 13 1HD ARG 13 5.938 3.499 1.736
80 HE ARG 13 HE ARG 13 5.323 6.251 2.042
81 1HH1 ARG 13 1HH2 ARG 13 7.738 4.520 3.629
82 2HH1 ARG 13 2HH2 ARG 13 9.055 5.465 3.018
83 1HH2 ARG 13 1HH1 ARG 13 7.080 7.277 0.818
84 2HH2 ARG 13 2HH1 ARG 13 8.682 7.027 1.427
85 H THR 14 H THR 14 4.084 -0.211 2.725
86 HA THR 14 HA THR 14 2.645 -1.473 4.980
87 HB THR 14 HB THR 14 4.290 -3.371 4.129
88 HG1 THR 14 1HG THR 14 4.413 -2.675 1.708
89 1HG2 THR 14 1HG2 THR 14 2.144 -2.371 2.249
90 2HG2 THR 14 2HG2 THR 14 1.771 -3.134 3.795
91 3HG2 THR 14 3HG2 THR 14 2.630 -4.040 2.550
92 H ALA 15 H ALA 15 3.739 -2.259 6.857
93 HA ALA 15 HA ALA 15 5.609 -0.703 8.162
94 1HB ALA 15 1HB ALA 15 6.206 -3.071 9.216
95 2HB ALA 15 2HB ALA 15 4.860 -3.604 8.209
96 3HB ALA 15 3HB ALA 15 4.605 -2.366 9.440
97 H ASP 16 H ASP 16 6.260 -3.159 5.713
98 HA ASP 16 HA ASP 16 9.111 -3.338 6.147
99 1HB ASP 16 2HB ASP 16 7.499 -4.908 4.909
100 2HB ASP 16 1HB ASP 16 7.598 -3.773 3.562
101 H GLY 17 H GLY 17 7.159 -0.847 4.912
102 1HA GLY 17 2HA GLY 17 7.956 1.304 4.227
103 2HA GLY 17 1HA GLY 17 9.549 0.596 3.947
104 H ARG 18 H ARG 18 6.393 -0.509 2.727
105 HA ARG 18 HA ARG 18 7.332 0.148 -0.046
106 1HB ARG 18 2HB ARG 18 6.184 -2.447 1.023
107 2HB ARG 18 1HB ARG 18 6.476 -2.120 -0.684
108 1HG ARG 18 2HG ARG 18 8.742 -1.653 1.197
109 2HG ARG 18 1HG ARG 18 8.308 -3.329 0.855
110 1HD ARG 18 2HD ARG 18 8.448 -1.550 -1.519
111 2HD ARG 18 1HD ARG 18 9.995 -1.906 -0.727
112 HE ARG 18 HE ARG 18 8.693 -4.362 -0.820
113 1HH1 ARG 18 1HH2 ARG 18 7.674 -2.823 -3.370
114 2HH1 ARG 18 2HH2 ARG 18 8.719 -3.526 -4.560
115 1HH2 ARG 18 1HH1 ARG 18 10.887 -4.897 -2.227
116 2HH2 ARG 18 2HH1 ARG 18 10.539 -4.698 -3.911
117 H CYS 19 H CYS 19 5.571 0.326 -1.600
118 HA CYS 19 HA CYS 19 3.055 1.321 -0.400
119 1HB CYS 19 2HB CYS 19 4.201 1.246 -3.208
120 2HB CYS 19 1HB CYS 19 2.752 2.129 -2.729
121 H LYS 20 H LYS 20 1.417 -0.170 -0.139
122 HA LYS 20 HA LYS 20 1.140 -2.314 -2.223
123 1HB LYS 20 2HB LYS 20 0.978 -2.319 0.782
124 2HB LYS 20 1HB LYS 20 0.085 -3.528 -0.141
125 1HG LYS 20 2HG LYS 20 2.489 -3.676 -1.385
126 2HG LYS 20 1HG LYS 20 3.011 -3.223 0.237
127 1HD LYS 20 2HD LYS 20 1.724 -5.099 1.184
128 2HD LYS 20 1HD LYS 20 1.193 -5.554 -0.436
129 1HE LYS 20 2HE LYS 20 3.353 -6.252 -1.085
130 2HE LYS 20 1HE LYS 20 4.137 -5.331 0.216
131 1HZ LYS 20 1HZ LYS 20 4.072 -7.497 1.037
132 2HZ LYS 20 2HZ LYS 20 2.517 -7.796 0.422
133 3HZ LYS 20 3HZ LYS 20 2.721 -6.768 1.759
134 HA PRO 21 HA PRO 21 -2.804 -0.395 -2.681
135 1HB PRO 21 2HB PRO 21 -3.868 -2.234 -4.417
136 2HB PRO 21 1HB PRO 21 -2.773 -0.931 -4.890
137 1HG PRO 21 2HG PRO 21 -2.237 -3.797 -4.548
138 2HG PRO 21 1HG PRO 21 -1.443 -2.633 -5.595
139 1HD PRO 21 2HD PRO 21 -0.433 -3.634 -3.203
140 2HD PRO 21 1HD PRO 21 0.140 -2.182 -4.040
141 H THR 22 H THR 22 -4.585 -0.497 -1.498
142 HA THR 22 HA THR 22 -5.051 -2.642 0.376
143 HB THR 22 HB THR 22 -6.738 -1.161 1.176
144 HG1 THR 22 1HG THR 22 -6.716 0.278 -1.240
145 1HG2 THR 22 1HG2 THR 22 -5.227 1.011 -0.119
146 2HG2 THR 22 2HG2 THR 22 -4.209 -0.220 0.627
147 3HG2 THR 22 3HG2 THR 22 -5.409 0.637 1.594
148 H PHE 23 H PHE 23 -6.338 -1.847 -2.798
149 HA PHE 23 HA PHE 23 -7.625 -4.453 -3.023
150 1HB PHE 23 2HB PHE 23 -9.040 -2.645 -1.597
151 2HB PHE 23 1HB PHE 23 -9.580 -2.215 -3.219
152 HD1 PHE 23 1HD PHE 23 -10.332 -4.221 -0.482
153 HD2 PHE 23 2HD PHE 23 -10.016 -4.426 -4.761
154 HE1 PHE 23 1HE PHE 23 -11.846 -6.185 -0.500
155 HE2 PHE 23 2HE PHE 23 -11.531 -6.390 -4.779
156 HZ PHE 23 HZ PHE 23 -12.445 -7.271 -2.648
Start of MODEL 9
1 1H GLU 1 1HT GLU 1 -4.735 20.929 -0.761
2 2H GLU 1 2HT GLU 1 -3.224 21.245 -1.471
3 3H GLU 1 3HT GLU 1 -4.267 22.528 -1.083
4 HA GLU 1 HA GLU 1 -3.000 22.692 0.767
5 1HB GLU 1 2HB GLU 1 -4.911 20.381 1.167
6 2HB GLU 1 1HB GLU 1 -3.998 21.077 2.506
7 1HG GLU 1 2HG GLU 1 -5.340 23.067 0.797
8 2HG GLU 1 1HG GLU 1 -6.441 21.992 1.661
9 H ASN 2 H ASN 2 -3.320 19.136 0.762
10 HA ASN 2 HA ASN 2 -0.325 18.966 0.886
11 1HB ASN 2 2HB ASN 2 -2.436 17.194 2.157
12 2HB ASN 2 1HB ASN 2 -0.693 17.063 2.392
13 1HD2 ASN 2 1HD2 ASN 2 -0.910 17.518 4.714
14 2HD2 ASN 2 2HD2 ASN 2 -1.262 19.084 5.266
15 H PHE 3 H PHE 3 0.633 17.515 -0.535
16 HA PHE 3 HA PHE 3 -0.932 15.387 -1.831
17 1HB PHE 3 2HB PHE 3 -1.233 17.806 -2.917
18 2HB PHE 3 1HB PHE 3 0.304 17.395 -3.677
19 HD1 PHE 3 1HD PHE 3 0.292 14.692 -4.368
20 HD2 PHE 3 2HD PHE 3 -3.072 17.360 -4.268
21 HE1 PHE 3 1HE PHE 3 -0.896 13.254 -6.002
22 HE2 PHE 3 2HE PHE 3 -4.262 15.922 -5.902
23 HZ PHE 3 HZ PHE 3 -3.174 13.869 -6.769
24 H ALA 4 H ALA 4 1.160 14.770 -0.348
25 HA ALA 4 HA ALA 4 3.452 14.438 -2.258
26 1HB ALA 4 1HB ALA 4 3.794 14.491 0.723
27 2HB ALA 4 2HB ALA 4 3.535 16.016 -0.125
28 3HB ALA 4 3HB ALA 4 4.918 15.003 -0.536
29 H GLY 5 H GLY 5 4.142 12.323 -2.509
30 1HA GLY 5 2HA GLY 5 4.072 10.286 -0.551
31 2HA GLY 5 1HA GLY 5 2.580 10.153 -1.483
32 H GLY 6 H GLY 6 4.678 8.180 -1.471
33 1HA GLY 6 2HA GLY 6 5.480 8.335 -4.346
34 2HA GLY 6 1HA GLY 6 6.608 7.752 -3.122
35 H CYS 7 H CYS 7 3.222 7.109 -4.121
36 HA CYS 7 HA CYS 7 3.878 4.203 -4.209
37 1HB CYS 7 2HB CYS 7 1.711 5.537 -2.554
38 2HB CYS 7 1HB CYS 7 1.837 3.796 -2.798
39 H ALA 8 H ALA 8 1.388 3.188 -4.704
40 HA ALA 8 HA ALA 8 0.712 4.428 -7.313
41 1HB ALA 8 1HB ALA 8 -0.795 2.081 -6.767
42 2HB ALA 8 2HB ALA 8 0.833 1.805 -6.150
43 3HB ALA 8 3HB ALA 8 0.594 2.241 -7.841
44 H THR 9 H THR 9 -1.891 3.844 -7.686
45 HA THR 9 HA THR 9 -3.431 5.858 -6.647
46 HB THR 9 HB THR 9 -4.399 4.522 -8.307
47 HG1 THR 9 1HG THR 9 -6.295 4.167 -7.446
48 1HG2 THR 9 1HG2 THR 9 -3.343 2.498 -8.432
49 2HG2 THR 9 2HG2 THR 9 -4.770 1.948 -7.554
50 3HG2 THR 9 3HG2 THR 9 -3.281 2.307 -6.679
51 H GLY 10 H GLY 10 -4.700 2.885 -5.355
52 1HA GLY 10 2HA GLY 10 -4.731 4.116 -2.669
53 2HA GLY 10 1HA GLY 10 -5.652 2.696 -3.165
54 H PHE 11 H PHE 11 -2.162 3.535 -3.122
55 HA PHE 11 HA PHE 11 -1.521 0.830 -2.137
56 1HB PHE 11 2HB PHE 11 -0.392 3.054 -3.688
57 2HB PHE 11 1HB PHE 11 0.737 2.325 -2.592
58 HD1 PHE 11 1HD PHE 11 -1.978 1.100 -4.886
59 HD2 PHE 11 2HD PHE 11 2.085 0.672 -3.572
60 HE1 PHE 11 1HE PHE 11 -1.625 -0.712 -6.539
61 HE2 PHE 11 2HE PHE 11 2.431 -1.145 -5.211
62 HZ PHE 11 HZ PHE 11 0.578 -1.835 -6.703
63 H MET 12 H MET 12 -1.417 0.697 0.118
64 HA MET 12 HA MET 12 -0.775 3.152 1.679
65 1HB MET 12 2HB MET 12 -2.662 1.179 1.928
66 2HB MET 12 1HB MET 12 -1.414 0.604 3.036
67 1HG MET 12 2HG MET 12 -2.969 2.060 4.239
68 2HG MET 12 1HG MET 12 -1.391 2.840 4.128
69 1HE MET 12 1HE MET 12 -3.660 5.903 3.900
70 2HE MET 12 2HE MET 12 -2.395 5.029 4.759
71 3HE MET 12 3HE MET 12 -4.055 4.442 4.817
72 H ARG 13 H ARG 13 1.290 3.415 2.388
73 HA ARG 13 HA ARG 13 3.487 1.797 1.920
74 1HB ARG 13 2HB ARG 13 2.781 4.071 3.482
75 2HB ARG 13 1HB ARG 13 3.749 3.011 4.508
76 1HG ARG 13 2HG ARG 13 5.342 4.359 3.388
77 2HG ARG 13 1HG ARG 13 5.353 2.835 2.497
78 1HD ARG 13 2HD ARG 13 5.008 4.146 0.659
79 2HD ARG 13 1HD ARG 13 3.332 4.249 1.237
80 HE ARG 13 HE ARG 13 5.454 6.234 1.961
81 1HH1 ARG 13 1HH2 ARG 13 3.537 7.102 -0.101
82 2HH1 ARG 13 2HH2 ARG 13 2.291 7.874 0.823
83 1HH2 ARG 13 1HH1 ARG 13 3.264 6.438 3.826
84 2HH2 ARG 13 2HH1 ARG 13 2.137 7.497 3.046
85 H THR 14 H THR 14 4.126 -0.189 2.650
86 HA THR 14 HA THR 14 2.594 -1.496 4.820
87 HB THR 14 HB THR 14 4.596 -3.201 3.863
88 HG1 THR 14 1HG THR 14 3.497 -2.073 1.578
89 1HG2 THR 14 1HG2 THR 14 2.600 -3.962 2.341
90 2HG2 THR 14 2HG2 THR 14 1.699 -2.737 3.234
91 3HG2 THR 14 3HG2 THR 14 2.449 -4.081 4.094
92 H ALA 15 H ALA 15 3.581 -2.229 6.754
93 HA ALA 15 HA ALA 15 5.438 -0.713 8.113
94 1HB ALA 15 1HB ALA 15 4.732 -3.641 8.150
95 2HB ALA 15 2HB ALA 15 4.262 -2.380 9.291
96 3HB ALA 15 3HB ALA 15 5.914 -2.998 9.290
97 H ASP 16 H ASP 16 6.128 -3.168 5.682
98 HA ASP 16 HA ASP 16 8.947 -3.450 6.246
99 1HB ASP 16 2HB ASP 16 6.938 -4.324 4.330
100 2HB ASP 16 1HB ASP 16 8.468 -3.966 3.528
101 H GLY 17 H GLY 17 7.105 -0.927 4.838
102 1HA GLY 17 2HA GLY 17 8.039 1.227 4.294
103 2HA GLY 17 1HA GLY 17 9.604 0.454 4.036
104 H ARG 18 H ARG 18 6.439 -0.486 2.698
105 HA ARG 18 HA ARG 18 7.441 0.274 -0.020
106 1HB ARG 18 2HB ARG 18 6.285 -2.395 0.846
107 2HB ARG 18 1HB ARG 18 6.756 -1.973 -0.801
108 1HG ARG 18 2HG ARG 18 9.067 -1.397 0.275
109 2HG ARG 18 1HG ARG 18 8.503 -2.404 1.610
110 1HD ARG 18 2HD ARG 18 8.649 -4.339 0.381
111 2HD ARG 18 1HD ARG 18 8.151 -3.537 -1.122
112 HE ARG 18 HE ARG 18 10.461 -2.493 -1.147
113 1HH1 ARG 18 1HH2 ARG 18 9.904 -5.730 -0.634
114 2HH1 ARG 18 2HH2 ARG 18 11.485 -6.106 -0.038
115 1HH2 ARG 18 1HH1 ARG 18 12.469 -2.790 0.204
116 2HH2 ARG 18 2HH1 ARG 18 12.939 -4.441 0.436
117 H CYS 19 H CYS 19 5.675 0.408 -1.623
118 HA CYS 19 HA CYS 19 3.159 1.386 -0.431
119 1HB CYS 19 2HB CYS 19 4.250 1.232 -3.257
120 2HB CYS 19 1HB CYS 19 2.837 2.160 -2.755
121 H LYS 20 H LYS 20 1.484 -0.046 -0.154
122 HA LYS 20 HA LYS 20 1.207 -2.296 -2.124
123 1HB LYS 20 2HB LYS 20 2.026 -3.112 0.010
124 2HB LYS 20 1HB LYS 20 0.793 -2.198 0.880
125 1HG LYS 20 2HG LYS 20 -0.955 -3.592 0.097
126 2HG LYS 20 1HG LYS 20 0.054 -4.281 -1.176
127 1HD LYS 20 2HD LYS 20 1.540 -5.196 0.697
128 2HD LYS 20 1HD LYS 20 0.232 -4.769 1.802
129 1HE LYS 20 2HE LYS 20 -1.301 -6.266 0.710
130 2HE LYS 20 1HE LYS 20 -0.179 -6.522 -0.642
131 1HZ LYS 20 1HZ LYS 20 -0.023 -7.514 2.113
132 2HZ LYS 20 2HZ LYS 20 1.431 -7.145 1.315
133 3HZ LYS 20 3HZ LYS 20 0.370 -8.299 0.662
134 HA PRO 21 HA PRO 21 -2.754 -0.390 -2.619
135 1HB PRO 21 2HB PRO 21 -3.796 -2.262 -4.332
136 2HB PRO 21 1HB PRO 21 -2.718 -0.952 -4.823
137 1HG PRO 21 2HG PRO 21 -2.150 -3.809 -4.448
138 2HG PRO 21 1HG PRO 21 -1.367 -2.647 -5.506
139 1HD PRO 21 2HD PRO 21 -0.352 -3.612 -3.101
140 2HD PRO 21 1HD PRO 21 0.212 -2.170 -3.959
141 H THR 22 H THR 22 -4.656 -0.554 -1.584
142 HA THR 22 HA THR 22 -5.047 -2.673 0.365
143 HB THR 22 HB THR 22 -6.770 -1.222 1.130
144 HG1 THR 22 1HG THR 22 -6.807 0.206 -1.281
145 1HG2 THR 22 1HG2 THR 22 -4.333 -0.238 0.842
146 2HG2 THR 22 2HG2 THR 22 -5.655 0.814 1.345
147 3HG2 THR 22 3HG2 THR 22 -5.119 0.812 -0.335
148 H PHE 23 H PHE 23 -5.743 -2.521 -2.925
149 HA PHE 23 HA PHE 23 -8.368 -3.826 -2.864
150 1HB PHE 23 2HB PHE 23 -7.425 -2.267 -4.645
151 2HB PHE 23 1HB PHE 23 -6.378 -3.598 -5.137
152 HD1 PHE 23 1HD PHE 23 -7.182 -5.314 -6.548
153 HD2 PHE 23 2HD PHE 23 -9.959 -2.680 -4.598
154 HE1 PHE 23 1HE PHE 23 -9.036 -6.287 -7.875
155 HE2 PHE 23 2HE PHE 23 -11.814 -3.654 -5.927
156 HZ PHE 23 HZ PHE 23 -11.352 -5.457 -7.564
Start of MODEL 10
1 1H GLU 1 1HT GLU 1 -3.491 10.335 8.768
2 2H GLU 1 2HT GLU 1 -3.918 11.695 9.692
3 3H GLU 1 3HT GLU 1 -3.402 11.884 8.084
4 HA GLU 1 HA GLU 1 -5.919 10.559 8.964
5 1HB GLU 1 2HB GLU 1 -5.876 12.993 9.238
6 2HB GLU 1 1HB GLU 1 -5.249 13.187 7.600
7 1HG GLU 1 2HG GLU 1 -7.275 12.515 6.610
8 2HG GLU 1 1HG GLU 1 -7.843 11.736 8.086
9 H ASN 2 H ASN 2 -3.406 10.424 6.774
10 HA ASN 2 HA ASN 2 -4.711 8.677 4.948
11 1HB ASN 2 2HB ASN 2 -5.382 11.428 4.673
12 2HB ASN 2 1HB ASN 2 -4.369 11.006 3.292
13 1HD2 ASN 2 1HD2 ASN 2 -6.392 11.205 1.950
14 2HD2 ASN 2 2HD2 ASN 2 -7.492 9.913 1.920
15 H PHE 3 H PHE 3 -3.100 7.656 3.800
16 HA PHE 3 HA PHE 3 -0.430 9.017 3.654
17 1HB PHE 3 2HB PHE 3 -1.408 6.340 4.403
18 2HB PHE 3 1HB PHE 3 -0.015 6.312 3.321
19 HD1 PHE 3 1HD PHE 3 -0.869 8.907 5.858
20 HD2 PHE 3 2HD PHE 3 1.749 5.676 4.779
21 HE1 PHE 3 1HE PHE 3 0.619 9.478 7.758
22 HE2 PHE 3 2HE PHE 3 3.237 6.247 6.679
23 HZ PHE 3 HZ PHE 3 2.673 8.148 8.168
24 H ALA 4 H ALA 4 0.659 8.967 1.649
25 HA ALA 4 HA ALA 4 -0.004 7.347 -0.598
26 1HB ALA 4 1HB ALA 4 -1.875 9.420 0.044
27 2HB ALA 4 2HB ALA 4 -1.920 8.303 -1.320
28 3HB ALA 4 3HB ALA 4 -1.084 9.849 -1.473
29 H GLY 5 H GLY 5 2.392 8.329 0.503
30 1HA GLY 5 2HA GLY 5 3.348 10.676 -0.891
31 2HA GLY 5 1HA GLY 5 4.357 9.506 -0.039
32 H GLY 6 H GLY 6 5.631 8.227 -1.291
33 1HA GLY 6 2HA GLY 6 5.287 8.344 -4.218
34 2HA GLY 6 1HA GLY 6 6.661 7.641 -3.365
35 H CYS 7 H CYS 7 3.152 7.076 -3.792
36 HA CYS 7 HA CYS 7 3.778 4.152 -4.020
37 1HB CYS 7 2HB CYS 7 1.627 5.562 -2.413
38 2HB CYS 7 1HB CYS 7 1.666 3.822 -2.678
39 H ALA 8 H ALA 8 1.443 3.097 -4.700
40 HA ALA 8 HA ALA 8 0.789 4.378 -7.279
41 1HB ALA 8 1HB ALA 8 -0.742 2.034 -6.760
42 2HB ALA 8 2HB ALA 8 0.880 1.753 -6.125
43 3HB ALA 8 3HB ALA 8 0.660 2.195 -7.816
44 H THR 9 H THR 9 -1.814 3.768 -7.700
45 HA THR 9 HA THR 9 -3.376 5.798 -6.727
46 HB THR 9 HB THR 9 -4.325 4.430 -8.371
47 HG1 THR 9 1HG THR 9 -6.018 4.809 -7.090
48 1HG2 THR 9 1HG2 THR 9 -3.414 2.368 -8.529
49 2HG2 THR 9 2HG2 THR 9 -4.672 1.854 -7.406
50 3HG2 THR 9 3HG2 THR 9 -3.077 2.300 -6.799
51 H GLY 10 H GLY 10 -4.635 2.834 -5.391
52 1HA GLY 10 2HA GLY 10 -4.700 4.123 -2.727
53 2HA GLY 10 1HA GLY 10 -5.636 2.709 -3.210
54 H PHE 11 H PHE 11 -2.136 3.498 -3.147
55 HA PHE 11 HA PHE 11 -1.537 0.798 -2.122
56 1HB PHE 11 2HB PHE 11 -0.363 3.004 -3.678
57 2HB PHE 11 1HB PHE 11 0.743 2.251 -2.574
58 HD1 PHE 11 1HD PHE 11 -1.969 1.081 -4.902
59 HD2 PHE 11 2HD PHE 11 2.072 0.580 -3.537
60 HE1 PHE 11 1HE PHE 11 -1.625 -0.725 -6.560
61 HE2 PHE 11 2HE PHE 11 2.406 -1.233 -5.184
62 HZ PHE 11 HZ PHE 11 0.562 -1.882 -6.703
63 H MET 12 H MET 12 -1.360 0.674 0.135
64 HA MET 12 HA MET 12 -0.758 3.152 1.674
65 1HB MET 12 2HB MET 12 -2.723 1.702 2.199
66 2HB MET 12 1HB MET 12 -1.616 0.372 2.542
67 1HG MET 12 2HG MET 12 -1.209 1.162 4.610
68 2HG MET 12 1HG MET 12 -0.802 2.755 3.972
69 1HE MET 12 1HE MET 12 -2.084 1.765 6.582
70 2HE MET 12 2HE MET 12 -3.565 2.646 6.947
71 3HE MET 12 3HE MET 12 -2.094 3.534 6.560
72 H ARG 13 H ARG 13 1.253 3.444 2.560
73 HA ARG 13 HA ARG 13 3.495 1.832 1.996
74 1HB ARG 13 2HB ARG 13 2.875 3.749 4.263
75 2HB ARG 13 1HB ARG 13 4.494 3.141 3.919
76 1HG ARG 13 2HG ARG 13 3.217 4.124 1.504
77 2HG ARG 13 1HG ARG 13 3.268 5.373 2.748
78 1HD ARG 13 2HD ARG 13 5.785 4.311 2.979
79 2HD ARG 13 1HD ARG 13 5.493 4.152 1.235
80 HE ARG 13 HE ARG 13 4.556 6.700 1.903
81 1HH1 ARG 13 1HH2 ARG 13 6.716 6.436 -0.068
82 2HH1 ARG 13 2HH2 ARG 13 8.069 7.173 0.726
83 1HH2 ARG 13 1HH1 ARG 13 6.648 7.007 3.885
84 2HH2 ARG 13 2HH1 ARG 13 8.032 7.495 2.961
85 H THR 14 H THR 14 4.037 -0.171 2.745
86 HA THR 14 HA THR 14 2.599 -1.296 5.080
87 HB THR 14 HB THR 14 4.431 -3.149 4.027
88 HG1 THR 14 1HG THR 14 4.813 -2.493 2.091
89 1HG2 THR 14 1HG2 THR 14 1.576 -2.717 3.125
90 2HG2 THR 14 2HG2 THR 14 2.004 -3.424 4.683
91 3HG2 THR 14 3HG2 THR 14 2.462 -4.241 3.189
92 H ALA 15 H ALA 15 3.713 -2.153 6.913
93 HA ALA 15 HA ALA 15 5.725 -0.707 8.140
94 1HB ALA 15 1HB ALA 15 4.717 -2.284 9.498
95 2HB ALA 15 2HB ALA 15 6.213 -3.147 9.143
96 3HB ALA 15 3HB ALA 15 4.742 -3.527 8.247
97 H ASP 16 H ASP 16 6.108 -3.130 5.621
98 HA ASP 16 HA ASP 16 8.945 -3.565 5.957
99 1HB ASP 16 2HB ASP 16 6.864 -3.972 3.820
100 2HB ASP 16 1HB ASP 16 8.564 -4.254 3.443
101 H GLY 17 H GLY 17 7.212 -0.836 4.991
102 1HA GLY 17 2HA GLY 17 8.103 1.257 4.310
103 2HA GLY 17 1HA GLY 17 9.658 0.470 4.027
104 H ARG 18 H ARG 18 6.477 -0.450 2.737
105 HA ARG 18 HA ARG 18 7.421 0.329 0.008
106 1HB ARG 18 2HB ARG 18 6.569 -2.369 1.057
107 2HB ARG 18 1HB ARG 18 6.486 -1.988 -0.664
108 1HG ARG 18 2HG ARG 18 8.889 -1.415 -0.654
109 2HG ARG 18 1HG ARG 18 8.973 -1.807 1.064
110 1HD ARG 18 2HD ARG 18 9.436 -3.941 0.450
111 2HD ARG 18 1HD ARG 18 7.769 -4.053 -0.151
112 HE ARG 18 HE ARG 18 9.280 -2.658 -2.103
113 1HH1 ARG 18 1HH1 ARG 18 7.660 -5.369 -2.135
114 2HH1 ARG 18 2HH1 ARG 18 8.853 -6.395 -2.857
115 1HH2 ARG 18 1HH2 ARG 18 11.452 -4.146 -2.395
116 2HH2 ARG 18 2HH2 ARG 18 11.001 -5.703 -3.004
117 H CYS 19 H CYS 19 5.630 0.371 -1.572
118 HA CYS 19 HA CYS 19 3.110 1.324 -0.359
119 1HB CYS 19 2HB CYS 19 4.207 1.210 -3.184
120 2HB CYS 19 1HB CYS 19 2.760 2.090 -2.688
121 H LYS 20 H LYS 20 1.331 0.002 -0.247
122 HA LYS 20 HA LYS 20 1.134 -2.294 -2.166
123 1HB LYS 20 2HB LYS 20 1.911 -2.686 0.319
124 2HB LYS 20 1HB LYS 20 0.201 -2.458 0.690
125 1HG LYS 20 2HG LYS 20 -0.433 -4.284 -0.747
126 2HG LYS 20 1HG LYS 20 1.204 -4.417 -1.390
127 1HD LYS 20 2HD LYS 20 1.174 -6.128 0.205
128 2HD LYS 20 1HD LYS 20 1.873 -4.790 1.116
129 1HE LYS 20 2HE LYS 20 0.154 -5.725 2.521
130 2HE LYS 20 1HE LYS 20 -0.533 -4.233 1.847
131 1HZ LYS 20 1HZ LYS 20 -2.160 -5.620 1.165
132 2HZ LYS 20 2HZ LYS 20 -1.178 -7.003 1.243
133 3HZ LYS 20 3HZ LYS 20 -1.084 -5.966 -0.098
134 HA PRO 21 HA PRO 21 -2.816 -0.394 -2.691
135 1HB PRO 21 2HB PRO 21 -3.855 -2.253 -4.415
136 2HB PRO 21 1HB PRO 21 -2.752 -0.959 -4.893
137 1HG PRO 21 2HG PRO 21 -2.231 -3.821 -4.520
138 2HG PRO 21 1HG PRO 21 -1.408 -2.666 -5.554
139 1HD PRO 21 2HD PRO 21 -0.473 -3.662 -3.118
140 2HD PRO 21 1HD PRO 21 0.157 -2.247 -3.979
141 H THR 22 H THR 22 -4.753 -0.557 -1.706
142 HA THR 22 HA THR 22 -5.197 -2.697 0.224
143 HB THR 22 HB THR 22 -6.885 -1.219 1.002
144 HG1 THR 22 1HG THR 22 -6.881 0.065 -1.518
145 1HG2 THR 22 1HG2 THR 22 -5.701 0.741 1.294
146 2HG2 THR 22 2HG2 THR 22 -5.283 0.866 -0.415
147 3HG2 THR 22 3HG2 THR 22 -4.410 -0.257 0.628
148 H PHE 23 H PHE 23 -5.257 -4.261 -1.849
149 HA PHE 23 HA PHE 23 -8.113 -4.890 -2.290
150 1HB PHE 23 2HB PHE 23 -7.428 -3.231 -4.037
151 2HB PHE 23 1HB PHE 23 -6.176 -4.354 -4.565
152 HD1 PHE 23 1HD PHE 23 -6.933 -4.960 -6.738
153 HD2 PHE 23 2HD PHE 23 -9.609 -5.190 -3.385
154 HE1 PHE 23 1HE PHE 23 -8.594 -6.148 -8.145
155 HE2 PHE 23 2HE PHE 23 -11.270 -6.378 -4.792
156 HZ PHE 23 HZ PHE 23 -10.763 -6.858 -7.171
Start of MODEL 11
1 1H GLU 1 1HT GLU 1 9.341 1.570 -11.934
2 2H GLU 1 2HT GLU 1 9.237 3.236 -12.247
3 3H GLU 1 3HT GLU 1 7.854 2.369 -11.776
4 HA GLU 1 HA GLU 1 9.340 3.807 -10.076
5 1HB GLU 1 2HB GLU 1 7.068 2.664 -9.920
6 2HB GLU 1 1HB GLU 1 7.929 1.203 -9.434
7 1HG GLU 1 2HG GLU 1 8.906 3.433 -7.899
8 2HG GLU 1 1HG GLU 1 7.146 3.370 -7.782
9 H ASN 2 H ASN 2 11.311 3.605 -9.081
10 HA ASN 2 HA ASN 2 12.507 0.865 -8.846
11 1HB ASN 2 2HB ASN 2 13.335 2.460 -10.720
12 2HB ASN 2 1HB ASN 2 14.072 3.385 -9.412
13 1HD2 ASN 2 1HD2 ASN 2 15.593 1.960 -11.458
14 2HD2 ASN 2 2HD2 ASN 2 16.479 0.745 -10.671
15 H PHE 3 H PHE 3 11.969 0.767 -6.589
16 HA PHE 3 HA PHE 3 12.158 1.318 -4.286
17 1HB PHE 3 2HB PHE 3 14.490 0.634 -5.386
18 2HB PHE 3 1HB PHE 3 14.906 2.294 -4.960
19 HD1 PHE 3 1HD PHE 3 14.751 -1.036 -3.776
20 HD2 PHE 3 2HD PHE 3 14.209 3.034 -2.513
21 HE1 PHE 3 1HE PHE 3 15.084 -1.723 -1.416
22 HE2 PHE 3 2HE PHE 3 14.543 2.346 -0.155
23 HZ PHE 3 HZ PHE 3 14.980 -0.032 0.394
24 H ALA 4 H ALA 4 10.664 3.276 -4.900
25 HA ALA 4 HA ALA 4 12.143 5.843 -4.420
26 1HB ALA 4 1HB ALA 4 11.022 6.543 -6.250
27 2HB ALA 4 2HB ALA 4 9.498 6.249 -5.411
28 3HB ALA 4 3HB ALA 4 10.235 4.969 -6.376
29 H GLY 5 H GLY 5 9.924 7.400 -3.738
30 1HA GLY 5 2HA GLY 5 9.016 6.106 -1.196
31 2HA GLY 5 1HA GLY 5 9.383 7.826 -1.327
32 H GLY 6 H GLY 6 7.914 6.830 -4.162
33 1HA GLY 6 2HA GLY 6 5.347 8.030 -3.273
34 2HA GLY 6 1HA GLY 6 5.862 7.840 -4.950
35 H CYS 7 H CYS 7 3.364 6.928 -3.543
36 HA CYS 7 HA CYS 7 3.626 3.974 -3.982
37 1HB CYS 7 2HB CYS 7 1.721 5.692 -2.363
38 2HB CYS 7 1HB CYS 7 1.533 3.952 -2.557
39 H ALA 8 H ALA 8 1.506 2.992 -4.857
40 HA ALA 8 HA ALA 8 0.751 4.422 -7.300
41 1HB ALA 8 1HB ALA 8 0.795 1.752 -6.252
42 2HB ALA 8 2HB ALA 8 0.555 2.267 -7.921
43 3HB ALA 8 3HB ALA 8 -0.830 2.100 -6.843
44 H THR 9 H THR 9 -1.878 3.848 -7.678
45 HA THR 9 HA THR 9 -3.379 5.888 -6.626
46 HB THR 9 HB THR 9 -4.379 4.576 -8.288
47 HG1 THR 9 1HG THR 9 -6.021 4.990 -6.929
48 1HG2 THR 9 1HG2 THR 9 -3.385 2.528 -8.441
49 2HG2 THR 9 2HG2 THR 9 -4.791 2.003 -7.515
50 3HG2 THR 9 3HG2 THR 9 -3.270 2.341 -6.690
51 H GLY 10 H GLY 10 -4.705 2.938 -5.344
52 1HA GLY 10 2HA GLY 10 -4.701 4.152 -2.651
53 2HA GLY 10 1HA GLY 10 -5.641 2.745 -3.148
54 H PHE 11 H PHE 11 -2.142 3.528 -3.157
55 HA PHE 11 HA PHE 11 -1.522 0.814 -2.182
56 1HB PHE 11 2HB PHE 11 -0.396 3.034 -3.747
57 2HB PHE 11 1HB PHE 11 0.745 2.296 -2.670
58 HD1 PHE 11 1HD PHE 11 -1.984 1.133 -4.981
59 HD2 PHE 11 2HD PHE 11 2.053 0.602 -3.625
60 HE1 PHE 11 1HE PHE 11 -1.653 -0.672 -6.644
61 HE2 PHE 11 2HE PHE 11 2.375 -1.208 -5.276
62 HZ PHE 11 HZ PHE 11 0.524 -1.842 -6.795
63 H MET 12 H MET 12 -1.312 0.661 0.072
64 HA MET 12 HA MET 12 -0.673 3.122 1.626
65 1HB MET 12 2HB MET 12 -2.609 1.880 2.336
66 2HB MET 12 1HB MET 12 -1.717 0.358 2.297
67 1HG MET 12 2HG MET 12 -0.934 0.677 4.385
68 2HG MET 12 1HG MET 12 -0.382 2.304 3.990
69 1HE MET 12 1HE MET 12 -1.248 4.265 4.537
70 2HE MET 12 2HE MET 12 -2.833 4.690 5.175
71 3HE MET 12 3HE MET 12 -2.664 4.252 3.477
72 H ARG 13 H ARG 13 1.273 3.342 2.696
73 HA ARG 13 HA ARG 13 3.547 1.786 2.017
74 1HB ARG 13 2HB ARG 13 3.036 4.148 3.248
75 2HB ARG 13 1HB ARG 13 3.474 3.166 4.647
76 1HG ARG 13 2HG ARG 13 5.465 4.261 3.688
77 2HG ARG 13 1HG ARG 13 5.574 2.507 3.527
78 1HD ARG 13 2HD ARG 13 5.654 2.660 1.267
79 2HD ARG 13 1HD ARG 13 4.210 3.693 1.237
80 HE ARG 13 HE ARG 13 5.622 5.628 1.424
81 1HH1 ARG 13 1HH1 ARG 13 7.253 3.261 -0.070
82 2HH1 ARG 13 2HH1 ARG 13 8.841 3.697 0.467
83 1HH2 ARG 13 1HH2 ARG 13 7.706 5.934 2.861
84 2HH2 ARG 13 2HH2 ARG 13 9.098 5.210 2.127
85 H THR 14 H THR 14 4.191 -0.203 2.743
86 HA THR 14 HA THR 14 2.706 -1.499 4.948
87 HB THR 14 HB THR 14 4.718 -3.191 3.980
88 HG1 THR 14 1HG THR 14 4.054 -2.768 1.619
89 1HG2 THR 14 1HG2 THR 14 2.905 -4.369 2.957
90 2HG2 THR 14 2HG2 THR 14 1.950 -2.894 2.803
91 3HG2 THR 14 3HG2 THR 14 2.241 -3.594 4.395
92 H ALA 15 H ALA 15 3.776 -2.329 6.827
93 HA ALA 15 HA ALA 15 5.557 -0.763 8.229
94 1HB ALA 15 1HB ALA 15 4.236 -2.953 8.785
95 2HB ALA 15 2HB ALA 15 5.715 -2.603 9.681
96 3HB ALA 15 3HB ALA 15 5.742 -3.763 8.352
97 H ASP 16 H ASP 16 6.398 -3.202 5.801
98 HA ASP 16 HA ASP 16 9.242 -3.197 6.316
99 1HB ASP 16 2HB ASP 16 7.490 -4.704 4.896
100 2HB ASP 16 1HB ASP 16 8.192 -3.746 3.590
101 H GLY 17 H GLY 17 7.162 -0.893 4.894
102 1HA GLY 17 2HA GLY 17 7.880 1.305 4.231
103 2HA GLY 17 1HA GLY 17 9.504 0.667 3.966
104 H ARG 18 H ARG 18 6.334 -0.448 2.747
105 HA ARG 18 HA ARG 18 7.304 0.137 -0.029
106 1HB ARG 18 2HB ARG 18 6.074 -2.452 0.962
107 2HB ARG 18 1HB ARG 18 6.628 -2.128 -0.680
108 1HG ARG 18 2HG ARG 18 8.924 -1.839 0.114
109 2HG ARG 18 1HG ARG 18 8.397 -2.063 1.783
110 1HD ARG 18 2HD ARG 18 9.353 -4.164 0.865
111 2HD ARG 18 1HD ARG 18 7.622 -4.364 1.207
112 HE ARG 18 HE ARG 18 7.169 -4.258 -1.156
113 1HH1 ARG 18 1HH1 ARG 18 9.649 -6.006 -1.163
114 2HH1 ARG 18 2HH1 ARG 18 10.591 -5.258 -2.410
115 1HH2 ARG 18 1HH2 ARG 18 8.740 -2.326 -2.417
116 2HH2 ARG 18 2HH2 ARG 18 10.077 -3.175 -3.120
117 H CYS 19 H CYS 19 5.567 0.331 -1.590
118 HA CYS 19 HA CYS 19 3.039 1.310 -0.422
119 1HB CYS 19 2HB CYS 19 4.191 1.195 -3.225
120 2HB CYS 19 1HB CYS 19 2.744 2.089 -2.759
121 H LYS 20 H LYS 20 1.334 -0.094 -0.213
122 HA LYS 20 HA LYS 20 1.075 -2.317 -2.213
123 1HB LYS 20 2HB LYS 20 1.856 -3.094 -0.003
124 2HB LYS 20 1HB LYS 20 0.481 -2.302 0.766
125 1HG LYS 20 2HG LYS 20 -1.069 -3.735 -0.497
126 2HG LYS 20 1HG LYS 20 0.294 -4.517 -1.297
127 1HD LYS 20 2HD LYS 20 0.910 -4.691 1.420
128 2HD LYS 20 1HD LYS 20 -0.822 -5.018 1.346
129 1HE LYS 20 2HE LYS 20 0.021 -7.158 0.942
130 2HE LYS 20 1HE LYS 20 -0.074 -6.546 -0.721
131 1HZ LYS 20 1HZ LYS 20 2.180 -7.458 0.310
132 2HZ LYS 20 2HZ LYS 20 2.300 -5.841 0.818
133 3HZ LYS 20 3HZ LYS 20 2.149 -6.206 -0.834
134 HA PRO 21 HA PRO 21 -2.835 -0.341 -2.759
135 1HB PRO 21 2HB PRO 21 -3.892 -2.178 -4.499
136 2HB PRO 21 1HB PRO 21 -2.776 -0.893 -4.965
137 1HG PRO 21 2HG PRO 21 -2.283 -3.763 -4.597
138 2HG PRO 21 1HG PRO 21 -1.454 -2.616 -5.635
139 1HD PRO 21 2HD PRO 21 -0.506 -3.618 -3.215
140 2HD PRO 21 1HD PRO 21 0.110 -2.187 -4.057
141 H THR 22 H THR 22 -4.764 -0.474 -1.759
142 HA THR 22 HA THR 22 -5.250 -2.551 0.190
143 HB THR 22 HB THR 22 -7.068 -1.132 0.796
144 HG1 THR 22 1HG THR 22 -6.965 0.241 -1.644
145 1HG2 THR 22 1HG2 THR 22 -4.571 -0.085 0.440
146 2HG2 THR 22 2HG2 THR 22 -5.907 0.795 1.182
147 3HG2 THR 22 3HG2 THR 22 -5.537 1.029 -0.526
148 H PHE 23 H PHE 23 -6.416 -1.904 -3.074
149 HA PHE 23 HA PHE 23 -8.294 -4.226 -2.866
150 1HB PHE 23 2HB PHE 23 -8.615 -1.646 -3.782
151 2HB PHE 23 1HB PHE 23 -8.309 -2.531 -5.276
152 HD1 PHE 23 1HD PHE 23 -10.566 -2.153 -2.388
153 HD2 PHE 23 2HD PHE 23 -9.832 -4.271 -6.053
154 HE1 PHE 23 1HE PHE 23 -12.884 -3.037 -2.343
155 HE2 PHE 23 2HE PHE 23 -12.149 -5.154 -6.007
156 HZ PHE 23 HZ PHE 23 -13.675 -4.537 -4.153
Start of MODEL 12
1 1H GLU 1 1HT GLU 1 17.314 14.189 2.786
2 2H GLU 1 2HT GLU 1 18.178 15.647 2.888
3 3H GLU 1 3HT GLU 1 18.949 14.237 2.338
4 HA GLU 1 HA GLU 1 16.694 15.573 0.927
5 1HB GLU 1 2HB GLU 1 19.422 16.287 1.254
6 2HB GLU 1 1HB GLU 1 19.264 15.637 -0.378
7 1HG GLU 1 2HG GLU 1 18.643 17.816 -0.801
8 2HG GLU 1 1HG GLU 1 17.066 17.162 -0.359
9 H ASN 2 H ASN 2 16.113 13.072 1.076
10 HA ASN 2 HA ASN 2 17.431 11.704 -1.249
11 1HB ASN 2 2HB ASN 2 17.658 10.947 1.315
12 2HB ASN 2 1HB ASN 2 16.122 10.162 0.948
13 1HD2 ASN 2 1HD2 ASN 2 16.875 9.786 -1.943
14 2HD2 ASN 2 2HD2 ASN 2 18.001 8.516 -1.953
15 H PHE 3 H PHE 3 15.589 12.864 -2.428
16 HA PHE 3 HA PHE 3 13.445 12.813 -3.430
17 1HB PHE 3 2HB PHE 3 13.541 9.927 -2.516
18 2HB PHE 3 1HB PHE 3 12.751 10.573 -3.954
19 HD1 PHE 3 1HD PHE 3 14.684 12.333 -5.158
20 HD2 PHE 3 2HD PHE 3 15.328 8.576 -3.178
21 HE1 PHE 3 1HE PHE 3 16.773 12.008 -6.455
22 HE2 PHE 3 2HE PHE 3 17.417 8.249 -4.474
23 HZ PHE 3 HZ PHE 3 18.139 9.966 -6.113
24 H ALA 4 H ALA 4 11.062 12.015 -2.926
25 HA ALA 4 HA ALA 4 10.569 12.493 -0.007
26 1HB ALA 4 1HB ALA 4 8.243 13.115 -1.131
27 2HB ALA 4 2HB ALA 4 9.234 13.260 -2.582
28 3HB ALA 4 3HB ALA 4 9.587 14.256 -1.170
29 H GLY 5 H GLY 5 10.011 10.336 -2.700
30 1HA GLY 5 2HA GLY 5 9.370 8.036 -2.467
31 2HA GLY 5 1HA GLY 5 8.762 8.395 -0.849
32 H GLY 6 H GLY 6 7.178 6.933 -2.598
33 1HA GLY 6 2HA GLY 6 4.746 8.442 -2.594
34 2HA GLY 6 1HA GLY 6 5.393 8.395 -4.234
35 H CYS 7 H CYS 7 2.938 7.145 -3.404
36 HA CYS 7 HA CYS 7 3.655 4.258 -3.812
37 1HB CYS 7 2HB CYS 7 1.518 5.613 -2.150
38 2HB CYS 7 1HB CYS 7 1.479 3.892 -2.518
39 H ALA 8 H ALA 8 1.651 3.061 -4.785
40 HA ALA 8 HA ALA 8 0.889 4.423 -7.243
41 1HB ALA 8 1HB ALA 8 0.960 1.778 -6.113
42 2HB ALA 8 2HB ALA 8 0.818 2.243 -7.807
43 3HB ALA 8 3HB ALA 8 -0.631 2.065 -6.819
44 H THR 9 H THR 9 -1.705 3.765 -7.711
45 HA THR 9 HA THR 9 -3.309 5.776 -6.776
46 HB THR 9 HB THR 9 -4.193 4.369 -8.429
47 HG1 THR 9 1HG THR 9 -6.123 3.867 -7.626
48 1HG2 THR 9 1HG2 THR 9 -3.253 2.312 -8.502
49 2HG2 THR 9 2HG2 THR 9 -4.575 1.817 -7.445
50 3HG2 THR 9 3HG2 THR 9 -3.015 2.267 -6.754
51 H GLY 10 H GLY 10 -4.609 2.843 -5.433
52 1HA GLY 10 2HA GLY 10 -4.670 4.152 -2.778
53 2HA GLY 10 1HA GLY 10 -5.629 2.750 -3.257
54 H PHE 11 H PHE 11 -2.118 3.489 -3.165
55 HA PHE 11 HA PHE 11 -1.559 0.775 -2.159
56 1HB PHE 11 2HB PHE 11 -0.343 3.006 -3.651
57 2HB PHE 11 1HB PHE 11 0.741 2.207 -2.559
58 HD1 PHE 11 1HD PHE 11 2.049 0.537 -3.555
59 HD2 PHE 11 2HD PHE 11 -1.961 1.150 -4.953
60 HE1 PHE 11 1HE PHE 11 2.379 -1.230 -5.251
61 HE2 PHE 11 2HE PHE 11 -1.629 -0.625 -6.651
62 HZ PHE 11 HZ PHE 11 0.541 -1.812 -6.804
63 H MET 12 H MET 12 -1.328 0.582 0.086
64 HA MET 12 HA MET 12 -0.813 3.037 1.693
65 1HB MET 12 2HB MET 12 -2.737 1.557 2.206
66 2HB MET 12 1HB MET 12 -1.624 0.211 2.455
67 1HG MET 12 2HG MET 12 -0.470 1.687 4.206
68 2HG MET 12 1HG MET 12 -1.884 2.736 4.096
69 1HE MET 12 1HE MET 12 -2.048 1.623 7.225
70 2HE MET 12 2HE MET 12 -3.742 1.731 6.753
71 3HE MET 12 3HE MET 12 -2.561 2.819 6.027
72 H ARG 13 H ARG 13 1.159 3.360 2.633
73 HA ARG 13 HA ARG 13 3.467 1.840 2.035
74 1HB ARG 13 2HB ARG 13 2.908 4.227 3.161
75 2HB ARG 13 1HB ARG 13 3.304 3.316 4.619
76 1HG ARG 13 2HG ARG 13 5.359 4.276 3.835
77 2HG ARG 13 1HG ARG 13 5.422 2.559 3.438
78 1HD ARG 13 2HD ARG 13 5.601 3.031 1.231
79 2HD ARG 13 1HD ARG 13 4.145 4.046 1.295
80 HE ARG 13 HE ARG 13 5.537 5.942 1.569
81 1HH1 ARG 13 1HH2 ARG 13 7.681 4.607 0.039
82 2HH1 ARG 13 2HH2 ARG 13 9.026 4.657 1.131
83 1HH2 ARG 13 1HH1 ARG 13 7.077 5.325 3.921
84 2HH2 ARG 13 2HH1 ARG 13 8.683 5.066 3.328
85 H THR 14 H THR 14 4.145 -0.116 2.807
86 HA THR 14 HA THR 14 2.741 -1.321 5.128
87 HB THR 14 HB THR 14 4.391 -3.237 4.228
88 HG1 THR 14 1HG THR 14 5.463 -1.914 2.772
89 1HG2 THR 14 1HG2 THR 14 2.198 -2.663 2.322
90 2HG2 THR 14 2HG2 THR 14 1.736 -2.715 4.024
91 3HG2 THR 14 3HG2 THR 14 2.511 -4.112 3.278
92 H ALA 15 H ALA 15 3.842 -1.899 7.037
93 HA ALA 15 HA ALA 15 5.881 -0.368 8.099
94 1HB ALA 15 1HB ALA 15 6.305 -2.936 9.128
95 2HB ALA 15 2HB ALA 15 4.629 -2.957 8.579
96 3HB ALA 15 3HB ALA 15 5.159 -1.745 9.745
97 H ASP 16 H ASP 16 6.215 -3.032 5.830
98 HA ASP 16 HA ASP 16 9.048 -3.466 6.188
99 1HB ASP 16 2HB ASP 16 6.836 -4.333 4.505
100 2HB ASP 16 1HB ASP 16 8.316 -4.142 3.564
101 H GLY 17 H GLY 17 7.339 -0.834 4.938
102 1HA GLY 17 2HA GLY 17 8.310 1.172 4.088
103 2HA GLY 17 1HA GLY 17 9.811 0.293 3.797
104 H ARG 18 H ARG 18 6.460 -0.321 2.699
105 HA ARG 18 HA ARG 18 7.342 0.142 -0.107
106 1HB ARG 18 2HB ARG 18 6.401 -2.452 1.120
107 2HB ARG 18 1HB ARG 18 6.305 -2.160 -0.617
108 1HG ARG 18 2HG ARG 18 8.865 -1.836 0.969
109 2HG ARG 18 1HG ARG 18 8.419 -3.338 0.158
110 1HD ARG 18 2HD ARG 18 8.191 -0.925 -1.540
111 2HD ARG 18 1HD ARG 18 9.846 -1.345 -1.054
112 HE ARG 18 HE ARG 18 8.052 -3.475 -2.131
113 1HH1 ARG 18 1HH1 ARG 18 10.971 -3.916 -1.466
114 2HH1 ARG 18 2HH1 ARG 18 11.704 -3.815 -3.031
115 1HH2 ARG 18 1HH2 ARG 18 8.953 -2.308 -4.512
116 2HH2 ARG 18 2HH2 ARG 18 10.561 -2.905 -4.757
117 H CYS 19 H CYS 19 5.490 0.201 -1.603
118 HA CYS 19 HA CYS 19 3.029 1.226 -0.298
119 1HB CYS 19 2HB CYS 19 4.110 1.203 -3.132
120 2HB CYS 19 1HB CYS 19 2.645 2.042 -2.625
121 H LYS 20 H LYS 20 1.231 -0.094 -0.199
122 HA LYS 20 HA LYS 20 1.022 -2.346 -2.174
123 1HB LYS 20 2HB LYS 20 1.765 -2.935 0.194
124 2HB LYS 20 1HB LYS 20 0.173 -2.402 0.735
125 1HG LYS 20 2HG LYS 20 -0.936 -4.104 -0.496
126 2HG LYS 20 1HG LYS 20 0.502 -4.457 -1.454
127 1HD LYS 20 2HD LYS 20 1.612 -5.470 0.396
128 2HD LYS 20 1HD LYS 20 0.437 -4.828 1.545
129 1HE LYS 20 2HE LYS 20 -0.389 -6.991 1.329
130 2HE LYS 20 1HE LYS 20 -1.252 -6.226 -0.021
131 1HZ LYS 20 1HZ LYS 20 0.137 -8.311 -0.514
132 2HZ LYS 20 2HZ LYS 20 1.484 -7.284 -0.372
133 3HZ LYS 20 3HZ LYS 20 0.299 -6.981 -1.553
134 HA PRO 21 HA PRO 21 -2.872 -0.357 -2.802
135 1HB PRO 21 2HB PRO 21 -3.890 -2.181 -4.579
136 2HB PRO 21 1HB PRO 21 -2.767 -0.889 -5.009
137 1HG PRO 21 2HG PRO 21 -2.277 -3.764 -4.656
138 2HG PRO 21 1HG PRO 21 -1.428 -2.605 -5.666
139 1HD PRO 21 2HD PRO 21 -0.527 -3.627 -3.236
140 2HD PRO 21 1HD PRO 21 0.101 -2.186 -4.052
141 H THR 22 H THR 22 -4.761 -0.470 -1.759
142 HA THR 22 HA THR 22 -5.316 -2.585 0.123
143 HB THR 22 HB THR 22 -7.133 -1.141 0.718
144 HG1 THR 22 1HG THR 22 -6.882 0.269 -1.701
145 1HG2 THR 22 1HG2 THR 22 -5.737 0.515 1.339
146 2HG2 THR 22 2HG2 THR 22 -5.701 1.138 -0.312
147 3HG2 THR 22 3HG2 THR 22 -4.548 -0.098 0.189
148 H PHE 23 H PHE 23 -6.146 -2.066 -3.207
149 HA PHE 23 HA PHE 23 -8.311 -4.129 -3.059
150 1HB PHE 23 2HB PHE 23 -7.554 -1.973 -5.049
151 2HB PHE 23 1HB PHE 23 -8.802 -3.175 -5.372
152 HD1 PHE 23 1HD PHE 23 -10.545 -3.485 -3.350
153 HD2 PHE 23 2HD PHE 23 -8.231 0.051 -4.121
154 HE1 PHE 23 1HE PHE 23 -12.184 -2.133 -2.072
155 HE2 PHE 23 2HE PHE 23 -9.870 1.403 -2.841
156 HZ PHE 23 HZ PHE 23 -11.847 0.311 -1.816
Start of MODEL 13
1 1H GLU 1 1HT GLU 1 18.534 7.229 -3.702
2 2H GLU 1 2HT GLU 1 19.578 6.080 -3.012
3 3H GLU 1 3HT GLU 1 20.090 7.007 -4.340
4 HA GLU 1 HA GLU 1 19.838 7.788 -1.515
5 1HB GLU 1 2HB GLU 1 21.789 7.540 -3.691
6 2HB GLU 1 1HB GLU 1 21.913 9.078 -2.836
7 1HG GLU 1 2HG GLU 1 21.883 6.351 -1.509
8 2HG GLU 1 1HG GLU 1 23.326 7.328 -1.786
9 H ASN 2 H ASN 2 18.949 8.833 -4.704
10 HA ASN 2 HA ASN 2 18.966 11.698 -4.123
11 1HB ASN 2 2HB ASN 2 17.850 9.922 -6.306
12 2HB ASN 2 1HB ASN 2 17.673 11.677 -6.331
13 1HD2 ASN 2 1HD2 ASN 2 19.513 9.431 -7.758
14 2HD2 ASN 2 2HD2 ASN 2 21.010 10.228 -7.822
15 H PHE 3 H PHE 3 17.600 10.770 -2.011
16 HA PHE 3 HA PHE 3 15.539 10.969 -0.867
17 1HB PHE 3 2HB PHE 3 15.812 13.087 -2.488
18 2HB PHE 3 1HB PHE 3 14.394 12.366 -3.249
19 HD1 PHE 3 1HD PHE 3 15.410 12.377 0.351
20 HD2 PHE 3 2HD PHE 3 12.587 13.726 -2.592
21 HE1 PHE 3 1HE PHE 3 13.974 13.298 2.150
22 HE2 PHE 3 2HE PHE 3 11.150 14.647 -0.792
23 HZ PHE 3 HZ PHE 3 11.845 14.433 1.579
24 H ALA 4 H ALA 4 13.272 10.172 -0.959
25 HA ALA 4 HA ALA 4 12.197 8.854 -3.291
26 1HB ALA 4 1HB ALA 4 12.602 6.509 -2.338
27 2HB ALA 4 2HB ALA 4 13.776 7.259 -1.257
28 3HB ALA 4 3HB ALA 4 14.017 7.324 -3.003
29 H GLY 5 H GLY 5 10.055 8.212 -2.879
30 1HA GLY 5 2HA GLY 5 8.833 7.305 -0.596
31 2HA GLY 5 1HA GLY 5 8.922 9.045 -0.315
32 H GLY 6 H GLY 6 7.473 6.536 -2.288
33 1HA GLY 6 2HA GLY 6 5.195 8.250 -2.873
34 2HA GLY 6 1HA GLY 6 6.181 7.930 -4.302
35 H CYS 7 H CYS 7 3.450 7.012 -3.871
36 HA CYS 7 HA CYS 7 3.948 4.071 -4.099
37 1HB CYS 7 2HB CYS 7 1.873 5.504 -2.410
38 2HB CYS 7 1HB CYS 7 1.884 3.763 -2.692
39 H ALA 8 H ALA 8 1.361 3.247 -4.570
40 HA ALA 8 HA ALA 8 0.751 4.604 -7.150
41 1HB ALA 8 1HB ALA 8 -0.788 2.252 -6.741
42 2HB ALA 8 2HB ALA 8 0.833 1.916 -6.131
43 3HB ALA 8 3HB ALA 8 0.610 2.450 -7.796
44 H THR 9 H THR 9 -1.854 4.068 -7.554
45 HA THR 9 HA THR 9 -3.367 6.046 -6.398
46 HB THR 9 HB THR 9 -4.340 4.845 -8.157
47 HG1 THR 9 1HG THR 9 -5.670 5.072 -6.058
48 1HG2 THR 9 1HG2 THR 9 -4.766 2.243 -7.644
49 2HG2 THR 9 2HG2 THR 9 -3.330 2.482 -6.650
50 3HG2 THR 9 3HG2 THR 9 -3.272 2.822 -8.380
51 H GLY 10 H GLY 10 -4.749 3.045 -5.332
52 1HA GLY 10 2HA GLY 10 -4.819 4.082 -2.577
53 2HA GLY 10 1HA GLY 10 -5.700 2.678 -3.178
54 H PHE 11 H PHE 11 -2.221 3.548 -3.047
55 HA PHE 11 HA PHE 11 -1.570 0.814 -2.161
56 1HB PHE 11 2HB PHE 11 -0.439 3.105 -3.616
57 2HB PHE 11 1HB PHE 11 0.688 2.321 -2.554
58 HD1 PHE 11 1HD PHE 11 2.019 0.685 -3.601
59 HD2 PHE 11 2HD PHE 11 -2.036 1.229 -4.905
60 HE1 PHE 11 1HE PHE 11 2.342 -1.060 -5.322
61 HE2 PHE 11 2HE PHE 11 -1.709 -0.523 -6.624
62 HZ PHE 11 HZ PHE 11 0.479 -1.664 -6.837
63 H MET 12 H MET 12 -1.425 0.577 0.077
64 HA MET 12 HA MET 12 -0.876 2.986 1.739
65 1HB MET 12 2HB MET 12 -2.811 1.296 2.031
66 2HB MET 12 1HB MET 12 -1.582 0.197 2.658
67 1HG MET 12 2HG MET 12 -1.681 1.221 4.657
68 2HG MET 12 1HG MET 12 -1.201 2.741 3.902
69 1HE MET 12 1HE MET 12 -5.501 1.154 4.034
70 2HE MET 12 2HE MET 12 -4.299 0.543 5.167
71 3HE MET 12 3HE MET 12 -4.047 0.342 3.435
72 H ARG 13 H ARG 13 1.267 3.318 2.153
73 HA ARG 13 HA ARG 13 3.450 1.679 1.766
74 1HB ARG 13 2HB ARG 13 2.786 3.733 3.877
75 2HB ARG 13 1HB ARG 13 4.391 3.007 3.781
76 1HG ARG 13 2HG ARG 13 3.567 3.789 1.143
77 2HG ARG 13 1HG ARG 13 3.367 5.160 2.235
78 1HD ARG 13 2HD ARG 13 5.831 4.004 2.963
79 2HD ARG 13 1HD ARG 13 5.824 4.031 1.188
80 HE ARG 13 HE ARG 13 4.873 6.491 1.670
81 1HH1 ARG 13 1HH2 ARG 13 7.815 4.951 2.218
82 2HH1 ARG 13 2HH2 ARG 13 8.526 6.251 3.116
83 1HH2 ARG 13 1HH1 ARG 13 5.591 8.093 3.276
84 2HH2 ARG 13 2HH1 ARG 13 7.265 8.030 3.716
85 H THR 14 H THR 14 4.078 -0.270 2.614
86 HA THR 14 HA THR 14 2.611 -1.386 4.927
87 HB THR 14 HB THR 14 4.252 -3.340 4.212
88 HG1 THR 14 1HG THR 14 5.519 -2.719 2.676
89 1HG2 THR 14 1HG2 THR 14 2.307 -4.097 3.383
90 2HG2 THR 14 2HG2 THR 14 2.516 -3.083 1.955
91 3HG2 THR 14 3HG2 THR 14 1.677 -2.450 3.371
92 H ALA 15 H ALA 15 3.600 -1.858 6.917
93 HA ALA 15 HA ALA 15 5.530 -0.272 8.063
94 1HB ALA 15 1HB ALA 15 5.901 -2.952 9.017
95 2HB ALA 15 2HB ALA 15 4.204 -2.743 8.587
96 3HB ALA 15 3HB ALA 15 4.959 -1.654 9.751
97 H ASP 16 H ASP 16 6.112 -2.944 5.853
98 HA ASP 16 HA ASP 16 8.927 -3.279 6.414
99 1HB ASP 16 2HB ASP 16 6.889 -4.137 4.467
100 2HB ASP 16 1HB ASP 16 8.520 -4.055 3.801
101 H GLY 17 H GLY 17 7.126 -0.864 4.747
102 1HA GLY 17 2HA GLY 17 8.141 1.235 4.088
103 2HA GLY 17 1HA GLY 17 9.667 0.385 3.844
104 H ARG 18 H ARG 18 6.451 -0.565 2.647
105 HA ARG 18 HA ARG 18 7.399 0.013 -0.135
106 1HB ARG 18 2HB ARG 18 6.202 -2.566 0.921
107 2HB ARG 18 1HB ARG 18 6.592 -2.248 -0.770
108 1HG ARG 18 2HG ARG 18 8.574 -2.236 1.527
109 2HG ARG 18 1HG ARG 18 8.408 -3.514 0.321
110 1HD ARG 18 2HD ARG 18 8.652 -1.125 -1.162
111 2HD ARG 18 1HD ARG 18 9.879 -1.028 0.117
112 HE ARG 18 HE ARG 18 9.601 -3.395 -1.700
113 1HH1 ARG 18 1HH1 ARG 18 11.258 -2.192 0.956
114 2HH1 ARG 18 2HH1 ARG 18 12.844 -2.487 0.326
115 1HH2 ARG 18 1HH2 ARG 18 11.713 -3.359 -2.835
116 2HH2 ARG 18 2HH2 ARG 18 13.103 -3.146 -1.823
117 H CYS 19 H CYS 19 5.652 0.219 -1.676
118 HA CYS 19 HA CYS 19 3.142 1.235 -0.494
119 1HB CYS 19 2HB CYS 19 4.264 1.126 -3.309
120 2HB CYS 19 1HB CYS 19 2.879 2.088 -2.790
121 H LYS 20 H LYS 20 1.474 -0.215 -0.241
122 HA LYS 20 HA LYS 20 1.153 -2.364 -2.313
123 1HB LYS 20 2HB LYS 20 1.302 -2.388 0.646
124 2HB LYS 20 1HB LYS 20 0.025 -3.389 -0.046
125 1HG LYS 20 2HG LYS 20 2.826 -3.507 -1.148
126 2HG LYS 20 1HG LYS 20 2.381 -4.449 0.275
127 1HD LYS 20 2HD LYS 20 0.291 -4.842 -1.573
128 2HD LYS 20 1HD LYS 20 1.782 -4.972 -2.506
129 1HE LYS 20 2HE LYS 20 2.530 -6.433 -0.379
130 2HE LYS 20 1HE LYS 20 0.780 -6.716 -0.302
131 1HZ LYS 20 1HZ LYS 20 0.815 -7.245 -2.674
132 2HZ LYS 20 2HZ LYS 20 1.812 -8.303 -1.795
133 3HZ LYS 20 3HZ LYS 20 2.498 -7.044 -2.706
134 HA PRO 21 HA PRO 21 -2.793 -0.397 -2.662
135 1HB PRO 21 2HB PRO 21 -3.874 -2.158 -4.461
136 2HB PRO 21 1HB PRO 21 -2.783 -0.838 -4.892
137 1HG PRO 21 2HG PRO 21 -2.249 -3.715 -4.680
138 2HG PRO 21 1HG PRO 21 -1.461 -2.507 -5.680
139 1HD PRO 21 2HD PRO 21 -0.438 -3.617 -3.339
140 2HD PRO 21 1HD PRO 21 0.140 -2.140 -4.127
141 H THR 22 H THR 22 -4.628 -0.574 -1.550
142 HA THR 22 HA THR 22 -5.069 -2.773 0.273
143 HB THR 22 HB THR 22 -6.826 -1.356 1.054
144 HG1 THR 22 1HG THR 22 -6.752 0.059 -1.389
145 1HG2 THR 22 1HG2 THR 22 -5.132 0.740 -0.263
146 2HG2 THR 22 2HG2 THR 22 -4.367 -0.378 0.865
147 3HG2 THR 22 3HG2 THR 22 -5.697 0.647 1.406
148 H PHE 23 H PHE 23 -5.058 -4.106 -2.083
149 HA PHE 23 HA PHE 23 -7.921 -4.438 -2.897
150 1HB PHE 23 2HB PHE 23 -6.031 -3.844 -4.531
151 2HB PHE 23 1HB PHE 23 -5.430 -5.480 -4.265
152 HD1 PHE 23 1HD PHE 23 -8.246 -3.469 -5.579
153 HD2 PHE 23 2HD PHE 23 -6.589 -7.408 -5.145
154 HE1 PHE 23 1HE PHE 23 -9.888 -4.340 -7.219
155 HE2 PHE 23 2HE PHE 23 -8.233 -8.281 -6.784
156 HZ PHE 23 HZ PHE 23 -9.882 -6.746 -7.822
Start of MODEL 14
1 1H GLU 1 1HT GLU 1 -4.459 9.806 1.603
2 2H GLU 1 2HT GLU 1 -4.557 11.497 1.727
3 3H GLU 1 3HT GLU 1 -5.975 10.568 1.610
4 HA GLU 1 HA GLU 1 -4.967 11.460 3.934
5 1HB GLU 1 2HB GLU 1 -7.194 10.461 3.292
6 2HB GLU 1 1HB GLU 1 -6.461 8.864 3.451
7 1HG GLU 1 2HG GLU 1 -7.016 8.955 5.637
8 2HG GLU 1 1HG GLU 1 -5.747 10.169 5.810
9 H ASN 2 H ASN 2 -2.610 10.374 2.747
10 HA ASN 2 HA ASN 2 -1.739 8.573 4.927
11 1HB ASN 2 2HB ASN 2 -0.883 6.939 3.186
12 2HB ASN 2 1HB ASN 2 -2.642 7.022 3.305
13 1HD2 ASN 2 1HD2 ASN 2 -2.320 6.129 0.943
14 2HD2 ASN 2 2HD2 ASN 2 -2.201 7.294 -0.285
15 H PHE 3 H PHE 3 0.706 8.108 4.608
16 HA PHE 3 HA PHE 3 2.220 10.460 4.508
17 1HB PHE 3 2HB PHE 3 2.858 8.169 5.348
18 2HB PHE 3 1HB PHE 3 3.104 7.681 3.672
19 HD1 PHE 3 1HD PHE 3 3.998 10.650 5.802
20 HD2 PHE 3 2HD PHE 3 5.320 7.694 2.979
21 HE1 PHE 3 1HE PHE 3 6.278 11.625 5.849
22 HE2 PHE 3 2HE PHE 3 7.600 8.669 3.025
23 HZ PHE 3 HZ PHE 3 8.078 10.634 4.460
24 H ALA 4 H ALA 4 3.942 10.990 2.820
25 HA ALA 4 HA ALA 4 2.895 10.534 0.044
26 1HB ALA 4 1HB ALA 4 3.835 12.910 -0.299
27 2HB ALA 4 2HB ALA 4 3.934 12.997 1.460
28 3HB ALA 4 3HB ALA 4 2.370 12.775 0.673
29 H GLY 5 H GLY 5 4.631 8.697 0.440
30 1HA GLY 5 2HA GLY 5 7.389 9.737 0.040
31 2HA GLY 5 1HA GLY 5 6.979 8.077 0.475
32 H GLY 6 H GLY 6 4.780 8.119 -1.610
33 1HA GLY 6 2HA GLY 6 4.980 8.462 -4.140
34 2HA GLY 6 1HA GLY 6 6.567 7.710 -3.974
35 H CYS 7 H CYS 7 3.088 7.115 -3.691
36 HA CYS 7 HA CYS 7 3.665 4.182 -3.981
37 1HB CYS 7 2HB CYS 7 1.577 5.678 -2.369
38 2HB CYS 7 1HB CYS 7 1.538 3.936 -2.621
39 H ALA 8 H ALA 8 1.501 3.068 -4.778
40 HA ALA 8 HA ALA 8 0.765 4.366 -7.305
41 1HB ALA 8 1HB ALA 8 0.881 1.747 -6.146
42 2HB ALA 8 2HB ALA 8 0.635 2.180 -7.837
43 3HB ALA 8 3HB ALA 8 -0.751 2.012 -6.761
44 H THR 9 H THR 9 -1.834 3.722 -7.716
45 HA THR 9 HA THR 9 -3.415 5.749 -6.773
46 HB THR 9 HB THR 9 -4.361 4.342 -8.384
47 HG1 THR 9 1HG THR 9 -6.038 4.731 -7.076
48 1HG2 THR 9 1HG2 THR 9 -4.660 1.777 -7.352
49 2HG2 THR 9 2HG2 THR 9 -3.057 2.259 -6.802
50 3HG2 THR 9 3HG2 THR 9 -3.442 2.283 -8.523
51 H GLY 10 H GLY 10 -4.623 2.789 -5.376
52 1HA GLY 10 2HA GLY 10 -4.680 4.127 -2.733
53 2HA GLY 10 1HA GLY 10 -5.622 2.706 -3.187
54 H PHE 11 H PHE 11 -2.125 3.509 -3.140
55 HA PHE 11 HA PHE 11 -1.509 0.816 -2.113
56 1HB PHE 11 2HB PHE 11 -0.353 3.029 -3.673
57 2HB PHE 11 1HB PHE 11 0.761 2.279 -2.574
58 HD1 PHE 11 1HD PHE 11 -1.976 1.065 -4.849
59 HD2 PHE 11 2HD PHE 11 2.105 0.645 -3.586
60 HE1 PHE 11 1HE PHE 11 -1.641 -0.747 -6.503
61 HE2 PHE 11 2HE PHE 11 2.432 -1.174 -5.226
62 HZ PHE 11 HZ PHE 11 0.561 -1.866 -6.694
63 H MET 12 H MET 12 -1.395 0.708 0.144
64 HA MET 12 HA MET 12 -0.761 3.179 1.680
65 1HB MET 12 2HB MET 12 -2.761 1.889 2.265
66 2HB MET 12 1HB MET 12 -1.789 0.428 2.450
67 1HG MET 12 2HG MET 12 -0.644 2.537 4.039
68 2HG MET 12 1HG MET 12 -2.358 2.380 4.425
69 1HE MET 12 1HE MET 12 -1.779 1.692 6.856
70 2HE MET 12 2HE MET 12 -0.074 1.898 6.465
71 3HE MET 12 3HE MET 12 -0.611 0.435 7.288
72 H ARG 13 H ARG 13 1.283 3.449 2.455
73 HA ARG 13 HA ARG 13 3.503 1.854 1.975
74 1HB ARG 13 2HB ARG 13 3.023 4.207 3.172
75 2HB ARG 13 1HB ARG 13 3.303 3.234 4.615
76 1HG ARG 13 2HG ARG 13 5.413 4.222 3.845
77 2HG ARG 13 1HG ARG 13 5.461 2.468 3.661
78 1HD ARG 13 2HD ARG 13 5.830 2.698 1.441
79 2HD ARG 13 1HD ARG 13 4.336 3.641 1.276
80 HE ARG 13 HE ARG 13 5.632 5.618 1.384
81 1HH1 ARG 13 1HH1 ARG 13 7.907 3.863 0.346
82 2HH1 ARG 13 2HH1 ARG 13 9.173 4.270 1.456
83 1HH2 ARG 13 1HH2 ARG 13 7.035 5.726 3.768
84 2HH2 ARG 13 2HH2 ARG 13 8.678 5.325 3.396
85 H THR 14 H THR 14 4.105 -0.153 2.662
86 HA THR 14 HA THR 14 2.605 -1.471 4.842
87 HB THR 14 HB THR 14 4.885 -2.663 3.291
88 HG1 THR 14 1HG THR 14 3.811 -1.697 1.660
89 1HG2 THR 14 1HG2 THR 14 3.640 -3.970 4.998
90 2HG2 THR 14 2HG2 THR 14 3.459 -4.644 3.378
91 3HG2 THR 14 3HG2 THR 14 2.153 -3.697 4.091
92 H ALA 15 H ALA 15 3.583 -2.115 6.795
93 HA ALA 15 HA ALA 15 5.522 -0.621 8.067
94 1HB ALA 15 1HB ALA 15 5.816 -3.409 8.773
95 2HB ALA 15 2HB ALA 15 4.121 -3.049 8.446
96 3HB ALA 15 3HB ALA 15 4.999 -2.127 9.667
97 H ASP 16 H ASP 16 6.055 -3.128 5.668
98 HA ASP 16 HA ASP 16 8.867 -3.550 6.195
99 1HB ASP 16 2HB ASP 16 6.828 -4.189 4.130
100 2HB ASP 16 1HB ASP 16 8.506 -4.226 3.589
101 H GLY 17 H GLY 17 7.167 -0.906 4.898
102 1HA GLY 17 2HA GLY 17 8.176 1.169 4.257
103 2HA GLY 17 1HA GLY 17 9.702 0.322 4.004
104 H ARG 18 H ARG 18 6.438 -0.320 2.689
105 HA ARG 18 HA ARG 18 7.449 0.338 -0.037
106 1HB ARG 18 2HB ARG 18 6.451 -2.352 0.939
107 2HB ARG 18 1HB ARG 18 6.601 -1.942 -0.770
108 1HG ARG 18 2HG ARG 18 8.998 -1.491 -0.468
109 2HG ARG 18 1HG ARG 18 8.861 -1.862 1.251
110 1HD ARG 18 2HD ARG 18 9.074 -4.078 0.832
111 2HD ARG 18 1HD ARG 18 7.743 -4.022 -0.340
112 HE ARG 18 HE ARG 18 9.928 -2.770 -1.590
113 1HH1 ARG 18 1HH2 ARG 18 8.422 -5.744 -1.311
114 2HH1 ARG 18 2HH2 ARG 18 9.751 -6.677 -1.915
115 1HH2 ARG 18 1HH1 ARG 18 11.967 -4.010 -1.916
116 2HH2 ARG 18 2HH1 ARG 18 11.759 -5.696 -2.254
117 H CYS 19 H CYS 19 5.666 0.455 -1.620
118 HA CYS 19 HA CYS 19 3.148 1.390 -0.394
119 1HB CYS 19 2HB CYS 19 4.263 1.318 -3.214
120 2HB CYS 19 1HB CYS 19 2.778 2.145 -2.742
121 H LYS 20 H LYS 20 1.423 -0.001 -0.217
122 HA LYS 20 HA LYS 20 1.202 -2.229 -2.212
123 1HB LYS 20 2HB LYS 20 1.753 -2.364 0.553
124 2HB LYS 20 1HB LYS 20 0.069 -2.860 0.378
125 1HG LYS 20 2HG LYS 20 0.661 -4.556 -1.236
126 2HG LYS 20 1HG LYS 20 2.325 -3.975 -1.308
127 1HD LYS 20 2HD LYS 20 2.664 -4.590 1.044
128 2HD LYS 20 1HD LYS 20 0.988 -5.127 1.157
129 1HE LYS 20 2HE LYS 20 2.150 -7.143 0.742
130 2HE LYS 20 1HE LYS 20 1.628 -6.664 -0.885
131 1HZ LYS 20 1HZ LYS 20 3.697 -5.891 -1.432
132 2HZ LYS 20 2HZ LYS 20 4.135 -7.172 -0.405
133 3HZ LYS 20 3HZ LYS 20 4.137 -5.574 0.174
134 HA PRO 21 HA PRO 21 -2.773 -0.387 -2.661
135 1HB PRO 21 2HB PRO 21 -3.828 -2.271 -4.350
136 2HB PRO 21 1HB PRO 21 -2.749 -0.969 -4.860
137 1HG PRO 21 2HG PRO 21 -2.191 -3.823 -4.475
138 2HG PRO 21 1HG PRO 21 -1.398 -2.668 -5.530
139 1HD PRO 21 2HD PRO 21 -0.413 -3.640 -3.103
140 2HD PRO 21 1HD PRO 21 0.192 -2.226 -3.982
141 H THR 22 H THR 22 -4.641 -0.531 -1.574
142 HA THR 22 HA THR 22 -5.048 -2.690 0.336
143 HB THR 22 HB THR 22 -6.688 -1.204 1.196
144 HG1 THR 22 1HG THR 22 -6.767 0.212 -1.238
145 1HG2 THR 22 1HG2 THR 22 -5.096 0.869 -0.258
146 2HG2 THR 22 2HG2 THR 22 -4.220 -0.267 0.767
147 3HG2 THR 22 3HG2 THR 22 -5.482 0.754 1.459
148 H PHE 23 H PHE 23 -6.455 -1.724 -2.756
149 HA PHE 23 HA PHE 23 -8.183 -4.177 -2.658
150 1HB PHE 23 2HB PHE 23 -8.775 -1.349 -3.042
151 2HB PHE 23 1HB PHE 23 -9.354 -2.319 -4.397
152 HD1 PHE 23 1HD PHE 23 -9.835 -1.446 -0.909
153 HD2 PHE 23 2HD PHE 23 -10.847 -4.308 -3.948
154 HE1 PHE 23 1HE PHE 23 -11.738 -2.240 0.470
155 HE2 PHE 23 2HE PHE 23 -12.749 -5.101 -2.569
156 HZ PHE 23 HZ PHE 23 -13.194 -4.067 -0.359
Start of MODEL 15
1 1H GLU 1 1HT GLU 1 -5.443 20.205 -3.168
2 2H GLU 1 2HT GLU 1 -5.386 18.846 -4.185
3 3H GLU 1 3HT GLU 1 -4.720 20.322 -4.699
4 HA GLU 1 HA GLU 1 -2.751 19.752 -3.855
5 1HB GLU 1 2HB GLU 1 -2.647 19.590 -1.370
6 2HB GLU 1 1HB GLU 1 -3.659 20.935 -1.898
7 1HG GLU 1 2HG GLU 1 -5.450 18.828 -1.796
8 2HG GLU 1 1HG GLU 1 -4.400 18.518 -0.413
9 H ASN 2 H ASN 2 -1.447 17.881 -3.431
10 HA ASN 2 HA ASN 2 -2.972 15.300 -3.255
11 1HB ASN 2 2HB ASN 2 -1.398 14.412 -4.856
12 2HB ASN 2 1HB ASN 2 -1.956 15.961 -5.489
13 1HD2 ASN 2 1HD2 ASN 2 -0.226 17.114 -6.344
14 2HD2 ASN 2 2HD2 ASN 2 1.339 17.158 -5.690
15 H PHE 3 H PHE 3 -1.118 13.495 -2.752
16 HA PHE 3 HA PHE 3 0.233 14.454 -0.260
17 1HB PHE 3 2HB PHE 3 -1.436 12.710 0.035
18 2HB PHE 3 1HB PHE 3 -0.698 11.735 -1.237
19 HD1 PHE 3 1HD PHE 3 -0.280 13.037 2.201
20 HD2 PHE 3 2HD PHE 3 1.319 10.463 -0.843
21 HE1 PHE 3 1HE PHE 3 1.245 12.014 3.866
22 HE2 PHE 3 2HE PHE 3 2.843 9.438 0.823
23 HZ PHE 3 HZ PHE 3 2.806 10.215 3.178
24 H ALA 4 H ALA 4 2.261 15.128 -1.061
25 HA ALA 4 HA ALA 4 3.794 13.947 -3.114
26 1HB ALA 4 1HB ALA 4 5.374 15.452 -2.383
27 2HB ALA 4 2HB ALA 4 5.176 14.992 -0.692
28 3HB ALA 4 3HB ALA 4 4.007 16.069 -1.456
29 H GLY 5 H GLY 5 3.800 11.644 -2.994
30 1HA GLY 5 2HA GLY 5 5.538 10.547 -0.839
31 2HA GLY 5 1HA GLY 5 3.995 9.759 -1.175
32 H GLY 6 H GLY 6 4.841 7.814 -1.984
33 1HA GLY 6 2HA GLY 6 5.860 7.957 -4.737
34 2HA GLY 6 1HA GLY 6 6.978 7.246 -3.571
35 H CYS 7 H CYS 7 3.433 6.954 -3.659
36 HA CYS 7 HA CYS 7 3.798 3.996 -4.026
37 1HB CYS 7 2HB CYS 7 1.830 5.617 -2.381
38 2HB CYS 7 1HB CYS 7 1.727 3.869 -2.591
39 H ALA 8 H ALA 8 1.489 3.053 -4.723
40 HA ALA 8 HA ALA 8 0.795 4.436 -7.234
41 1HB ALA 8 1HB ALA 8 0.830 1.773 -6.155
42 2HB ALA 8 2HB ALA 8 0.612 2.272 -7.831
43 3HB ALA 8 3HB ALA 8 -0.787 2.121 -6.768
44 H THR 9 H THR 9 -1.817 3.923 -7.635
45 HA THR 9 HA THR 9 -3.296 5.958 -6.530
46 HB THR 9 HB THR 9 -4.270 4.741 -8.277
47 HG1 THR 9 1HG THR 9 -6.096 4.893 -7.285
48 1HG2 THR 9 1HG2 THR 9 -4.748 2.127 -7.451
49 2HG2 THR 9 2HG2 THR 9 -3.125 2.467 -6.850
50 3HG2 THR 9 3HG2 THR 9 -3.486 2.647 -8.568
51 H GLY 10 H GLY 10 -4.704 2.980 -5.411
52 1HA GLY 10 2HA GLY 10 -4.790 4.086 -2.681
53 2HA GLY 10 1HA GLY 10 -5.672 2.670 -3.252
54 H PHE 11 H PHE 11 -2.189 3.536 -3.107
55 HA PHE 11 HA PHE 11 -1.559 0.821 -2.143
56 1HB PHE 11 2HB PHE 11 -0.397 3.061 -3.653
57 2HB PHE 11 1HB PHE 11 0.710 2.308 -2.551
58 HD1 PHE 11 1HD PHE 11 2.055 0.646 -3.532
59 HD2 PHE 11 2HD PHE 11 -1.981 1.141 -4.905
60 HE1 PHE 11 1HE PHE 11 2.406 -1.151 -5.189
61 HE2 PHE 11 2HE PHE 11 -1.628 -0.664 -6.563
62 HZ PHE 11 HZ PHE 11 0.564 -1.807 -6.710
63 H MET 12 H MET 12 -1.432 0.646 0.099
64 HA MET 12 HA MET 12 -0.897 3.091 1.711
65 1HB MET 12 2HB MET 12 -2.839 1.821 2.327
66 2HB MET 12 1HB MET 12 -1.938 0.305 2.276
67 1HG MET 12 2HG MET 12 -0.829 2.354 4.097
68 2HG MET 12 1HG MET 12 -2.404 1.713 4.565
69 1HE MET 12 1HE MET 12 -1.621 -0.954 6.585
70 2HE MET 12 2HE MET 12 -2.279 0.653 6.287
71 3HE MET 12 3HE MET 12 -0.651 0.482 6.934
72 H ARG 13 H ARG 13 1.185 3.429 2.350
73 HA ARG 13 HA ARG 13 3.428 1.872 1.939
74 1HB ARG 13 2HB ARG 13 2.903 4.232 3.104
75 2HB ARG 13 1HB ARG 13 3.184 3.280 4.563
76 1HG ARG 13 2HG ARG 13 5.292 4.263 3.834
77 2HG ARG 13 1HG ARG 13 5.356 2.516 3.597
78 1HD ARG 13 2HD ARG 13 5.668 2.779 1.368
79 2HD ARG 13 1HD ARG 13 4.244 3.833 1.251
80 HE ARG 13 HE ARG 13 5.665 5.718 1.508
81 1HH1 ARG 13 1HH2 ARG 13 7.629 3.468 0.412
82 2HH1 ARG 13 2HH2 ARG 13 9.033 3.864 1.346
83 1HH2 ARG 13 1HH1 ARG 13 7.318 5.941 3.531
84 2HH2 ARG 13 2HH1 ARG 13 8.857 5.264 3.112
85 H THR 14 H THR 14 4.083 -0.109 2.675
86 HA THR 14 HA THR 14 2.579 -1.399 4.882
87 HB THR 14 HB THR 14 4.442 -3.191 3.931
88 HG1 THR 14 1HG THR 14 3.964 -2.598 1.527
89 1HG2 THR 14 1HG2 THR 14 2.570 -4.275 3.262
90 2HG2 THR 14 2HG2 THR 14 2.083 -2.954 2.201
91 3HG2 THR 14 3HG2 THR 14 1.701 -2.888 3.921
92 H ALA 15 H ALA 15 3.627 -2.152 6.788
93 HA ALA 15 HA ALA 15 5.549 -0.634 8.068
94 1HB ALA 15 1HB ALA 15 5.555 -2.367 9.629
95 2HB ALA 15 2HB ALA 15 5.582 -3.618 8.387
96 3HB ALA 15 3HB ALA 15 4.089 -2.743 8.725
97 H ASP 16 H ASP 16 6.093 -3.083 5.608
98 HA ASP 16 HA ASP 16 8.925 -3.443 6.058
99 1HB ASP 16 2HB ASP 16 6.820 -4.302 4.281
100 2HB ASP 16 1HB ASP 16 8.243 -3.869 3.334
101 H GLY 17 H GLY 17 7.145 -0.800 4.911
102 1HA GLY 17 2HA GLY 17 8.046 1.307 4.248
103 2HA GLY 17 1HA GLY 17 9.611 0.529 3.993
104 H ARG 18 H ARG 18 6.495 -0.537 2.704
105 HA ARG 18 HA ARG 18 7.448 0.177 -0.047
106 1HB ARG 18 2HB ARG 18 6.318 -2.437 0.996
107 2HB ARG 18 1HB ARG 18 6.613 -2.096 -0.709
108 1HG ARG 18 2HG ARG 18 8.899 -1.536 1.077
109 2HG ARG 18 1HG ARG 18 8.453 -3.239 0.956
110 1HD ARG 18 2HD ARG 18 8.515 -1.764 -1.620
111 2HD ARG 18 1HD ARG 18 10.088 -2.021 -0.839
112 HE ARG 18 HE ARG 18 8.156 -4.240 -1.410
113 1HH1 ARG 18 1HH2 ARG 18 10.577 -3.699 -3.182
114 2HH1 ARG 18 2HH2 ARG 18 11.710 -4.852 -2.559
115 1HH2 ARG 18 1HH1 ARG 18 9.939 -5.410 0.369
116 2HH2 ARG 18 2HH1 ARG 18 11.350 -5.819 -0.550
117 H CYS 19 H CYS 19 5.675 0.309 -1.619
118 HA CYS 19 HA CYS 19 3.166 1.325 -0.429
119 1HB CYS 19 2HB CYS 19 4.280 1.173 -3.246
120 2HB CYS 19 1HB CYS 19 2.860 2.100 -2.759
121 H LYS 20 H LYS 20 1.439 -0.060 -0.215
122 HA LYS 20 HA LYS 20 1.184 -2.321 -2.173
123 1HB LYS 20 2HB LYS 20 1.998 -2.717 0.299
124 2HB LYS 20 1HB LYS 20 0.294 -2.494 0.695
125 1HG LYS 20 2HG LYS 20 0.153 -4.204 -1.452
126 2HG LYS 20 1HG LYS 20 1.626 -4.750 -0.648
127 1HD LYS 20 2HD LYS 20 0.504 -5.262 1.345
128 2HD LYS 20 1HD LYS 20 -0.861 -4.215 0.959
129 1HE LYS 20 2HE LYS 20 -1.812 -6.277 0.460
130 2HE LYS 20 1HE LYS 20 -1.066 -5.925 -1.113
131 1HZ LYS 20 1HZ LYS 20 -0.143 -7.960 -0.639
132 2HZ LYS 20 2HZ LYS 20 -0.117 -7.691 1.039
133 3HZ LYS 20 3HZ LYS 20 1.024 -6.930 0.036
134 HA PRO 21 HA PRO 21 -2.775 -0.409 -2.640
135 1HB PRO 21 2HB PRO 21 -3.817 -2.242 -4.388
136 2HB PRO 21 1HB PRO 21 -2.729 -0.931 -4.852
137 1HG PRO 21 2HG PRO 21 -2.181 -3.795 -4.534
138 2HG PRO 21 1HG PRO 21 -1.380 -2.616 -5.558
139 1HD PRO 21 2HD PRO 21 -0.406 -3.645 -3.153
140 2HD PRO 21 1HD PRO 21 0.196 -2.206 -3.991
141 H THR 22 H THR 22 -4.594 -0.560 -1.501
142 HA THR 22 HA THR 22 -5.026 -2.745 0.349
143 HB THR 22 HB THR 22 -6.718 -1.289 1.181
144 HG1 THR 22 1HG THR 22 -6.706 0.138 -1.253
145 1HG2 THR 22 1HG2 THR 22 -4.209 -0.336 0.728
146 2HG2 THR 22 2HG2 THR 22 -5.450 0.574 1.588
147 3HG2 THR 22 3HG2 THR 22 -5.165 0.874 -0.126
148 H PHE 23 H PHE 23 -6.263 -1.912 -2.825
149 HA PHE 23 HA PHE 23 -7.980 -4.366 -2.741
150 1HB PHE 23 2HB PHE 23 -9.254 -2.222 -2.385
151 2HB PHE 23 1HB PHE 23 -8.704 -1.688 -3.973
152 HD1 PHE 23 1HD PHE 23 -10.668 -1.686 -5.292
153 HD2 PHE 23 2HD PHE 23 -9.718 -5.114 -2.883
154 HE1 PHE 23 1HE PHE 23 -12.517 -2.949 -6.359
155 HE2 PHE 23 2HE PHE 23 -11.567 -6.375 -3.950
156 HZ PHE 23 HZ PHE 23 -12.967 -5.292 -5.688
Start of MODEL 16
1 1H GLU 1 1HT GLU 1 3.309 20.428 0.662
2 2H GLU 1 2HT GLU 1 3.848 21.083 2.133
3 3H GLU 1 3HT GLU 1 4.629 19.730 1.466
4 HA GLU 1 HA GLU 1 4.527 22.139 -0.191
5 1HB GLU 1 2HB GLU 1 5.108 22.405 2.464
6 2HB GLU 1 1HB GLU 1 6.701 22.012 1.817
7 1HG GLU 1 2HG GLU 1 4.921 24.159 0.639
8 2HG GLU 1 1HG GLU 1 6.155 24.486 1.857
9 H ASN 2 H ASN 2 6.773 19.876 1.463
10 HA ASN 2 HA ASN 2 7.925 19.231 -1.234
11 1HB ASN 2 2HB ASN 2 9.332 20.674 0.251
12 2HB ASN 2 1HB ASN 2 9.315 19.390 1.459
13 1HD2 ASN 2 1HD2 ASN 2 9.649 19.147 -2.119
14 2HD2 ASN 2 2HD2 ASN 2 11.150 18.357 -2.074
15 H PHE 3 H PHE 3 6.202 17.443 -1.043
16 HA PHE 3 HA PHE 3 6.374 15.389 0.952
17 1HB PHE 3 2HB PHE 3 4.489 15.847 -0.636
18 2HB PHE 3 1HB PHE 3 5.490 15.225 -1.948
19 HD1 PHE 3 1HD PHE 3 4.818 14.124 1.580
20 HD2 PHE 3 2HD PHE 3 4.836 13.086 -2.588
21 HE1 PHE 3 1HE PHE 3 4.138 11.809 2.155
22 HE2 PHE 3 2HE PHE 3 4.156 10.770 -2.014
23 HZ PHE 3 HZ PHE 3 3.807 10.132 0.357
24 H ALA 4 H ALA 4 7.260 13.197 0.643
25 HA ALA 4 HA ALA 4 9.408 12.958 -1.414
26 1HB ALA 4 1HB ALA 4 10.515 11.919 0.921
27 2HB ALA 4 2HB ALA 4 9.666 13.363 1.474
28 3HB ALA 4 3HB ALA 4 10.895 13.490 0.215
29 H GLY 5 H GLY 5 9.011 11.029 -2.422
30 1HA GLY 5 2HA GLY 5 9.083 8.558 -2.181
31 2HA GLY 5 1HA GLY 5 8.088 8.740 -0.734
32 H GLY 6 H GLY 6 5.976 8.274 -1.047
33 1HA GLY 6 2HA GLY 6 3.858 8.775 -2.181
34 2HA GLY 6 1HA GLY 6 4.760 8.943 -3.689
35 H CYS 7 H CYS 7 2.588 7.273 -3.703
36 HA CYS 7 HA CYS 7 3.872 4.632 -4.144
37 1HB CYS 7 2HB CYS 7 1.608 5.244 -2.229
38 2HB CYS 7 1HB CYS 7 1.938 3.614 -2.816
39 H ALA 8 H ALA 8 1.812 3.105 -4.891
40 HA ALA 8 HA ALA 8 0.870 4.294 -7.353
41 1HB ALA 8 1HB ALA 8 0.802 2.085 -7.764
42 2HB ALA 8 2HB ALA 8 -0.606 1.963 -6.711
43 3HB ALA 8 3HB ALA 8 1.014 1.735 -6.050
44 H THR 9 H THR 9 -1.703 3.750 -7.735
45 HA THR 9 HA THR 9 -3.251 5.779 -6.744
46 HB THR 9 HB THR 9 -4.167 4.424 -8.426
47 HG1 THR 9 1HG THR 9 -6.049 3.461 -7.421
48 1HG2 THR 9 1HG2 THR 9 -2.965 2.294 -6.855
49 2HG2 THR 9 2HG2 THR 9 -3.377 2.319 -8.570
50 3HG2 THR 9 3HG2 THR 9 -4.593 1.864 -7.376
51 H GLY 10 H GLY 10 -4.661 2.886 -5.465
52 1HA GLY 10 2HA GLY 10 -4.719 4.129 -2.791
53 2HA GLY 10 1HA GLY 10 -5.643 2.712 -3.295
54 H PHE 11 H PHE 11 -2.145 3.497 -3.204
55 HA PHE 11 HA PHE 11 -1.562 0.808 -2.149
56 1HB PHE 11 2HB PHE 11 -0.391 2.976 -3.745
57 2HB PHE 11 1HB PHE 11 0.723 2.235 -2.639
58 HD1 PHE 11 1HD PHE 11 2.035 0.551 -3.623
59 HD2 PHE 11 2HD PHE 11 -2.043 1.024 -4.878
60 HE1 PHE 11 1HE PHE 11 2.325 -1.289 -5.245
61 HE2 PHE 11 2HE PHE 11 -1.749 -0.823 -6.501
62 HZ PHE 11 HZ PHE 11 0.435 -1.978 -6.688
63 H MET 12 H MET 12 -1.427 0.707 0.099
64 HA MET 12 HA MET 12 -0.774 3.184 1.620
65 1HB MET 12 2HB MET 12 -2.782 1.628 2.032
66 2HB MET 12 1HB MET 12 -1.609 0.472 2.668
67 1HG MET 12 2HG MET 12 -0.870 2.068 4.347
68 2HG MET 12 1HG MET 12 -1.909 3.319 3.663
69 1HE MET 12 1HE MET 12 -3.213 2.519 7.102
70 2HE MET 12 2HE MET 12 -3.848 3.698 5.958
71 3HE MET 12 3HE MET 12 -2.110 3.443 6.076
72 H ARG 13 H ARG 13 1.273 3.444 2.392
73 HA ARG 13 HA ARG 13 3.496 1.875 1.923
74 1HB ARG 13 2HB ARG 13 3.041 4.180 3.156
75 2HB ARG 13 1HB ARG 13 3.184 3.181 4.601
76 1HG ARG 13 2HG ARG 13 5.378 4.081 4.041
77 2HG ARG 13 1HG ARG 13 5.378 2.341 3.747
78 1HD ARG 13 2HD ARG 13 5.981 2.733 1.602
79 2HD ARG 13 1HD ARG 13 4.461 3.618 1.359
80 HE ARG 13 HE ARG 13 5.609 5.667 1.833
81 1HH1 ARG 13 1HH2 ARG 13 7.776 3.750 0.511
82 2HH1 ARG 13 2HH2 ARG 13 9.157 4.235 1.437
83 1HH2 ARG 13 1HH1 ARG 13 7.294 5.923 3.827
84 2HH2 ARG 13 2HH1 ARG 13 8.885 5.464 3.315
85 H THR 14 H THR 14 4.257 -0.073 2.678
86 HA THR 14 HA THR 14 2.641 -1.522 4.706
87 HB THR 14 HB THR 14 4.670 -3.174 3.758
88 HG1 THR 14 1HG THR 14 4.641 -2.725 1.504
89 1HG2 THR 14 1HG2 THR 14 1.968 -2.692 2.476
90 2HG2 THR 14 2HG2 THR 14 2.222 -3.641 3.940
91 3HG2 THR 14 3HG2 THR 14 2.913 -4.180 2.410
92 H ALA 15 H ALA 15 3.619 -2.379 6.613
93 HA ALA 15 HA ALA 15 5.366 -0.871 8.119
94 1HB ALA 15 1HB ALA 15 5.046 -2.597 9.554
95 2HB ALA 15 2HB ALA 15 5.814 -3.743 8.456
96 3HB ALA 15 3HB ALA 15 4.107 -3.346 8.263
97 H ASP 16 H ASP 16 6.268 -3.297 5.695
98 HA ASP 16 HA ASP 16 9.091 -3.318 6.302
99 1HB ASP 16 2HB ASP 16 9.203 -4.435 4.082
100 2HB ASP 16 1HB ASP 16 7.902 -5.091 5.076
101 H GLY 17 H GLY 17 7.121 -0.921 4.932
102 1HA GLY 17 2HA GLY 17 7.893 1.252 4.284
103 2HA GLY 17 1HA GLY 17 9.511 0.584 4.060
104 H ARG 18 H ARG 18 6.373 -0.462 2.704
105 HA ARG 18 HA ARG 18 7.435 0.193 -0.022
106 1HB ARG 18 2HB ARG 18 6.473 -2.431 1.109
107 2HB ARG 18 1HB ARG 18 6.385 -2.115 -0.624
108 1HG ARG 18 2HG ARG 18 8.722 -1.921 -0.835
109 2HG ARG 18 1HG ARG 18 8.947 -1.655 0.895
110 1HD ARG 18 2HD ARG 18 7.671 -4.165 0.692
111 2HD ARG 18 1HD ARG 18 8.939 -4.162 -0.552
112 HE ARG 18 HE ARG 18 9.757 -3.071 2.056
113 1HH1 ARG 18 1HH2 ARG 18 9.075 -6.051 0.556
114 2HH1 ARG 18 2HH2 ARG 18 10.555 -6.809 1.044
115 1HH2 ARG 18 1HH1 ARG 18 11.886 -3.922 2.430
116 2HH2 ARG 18 2HH1 ARG 18 12.145 -5.604 2.107
117 H CYS 19 H CYS 19 5.671 0.214 -1.672
118 HA CYS 19 HA CYS 19 3.174 1.327 -0.548
119 1HB CYS 19 2HB CYS 19 4.298 1.037 -3.351
120 2HB CYS 19 1HB CYS 19 2.889 2.003 -2.912
121 H LYS 20 H LYS 20 1.463 -0.063 -0.238
122 HA LYS 20 HA LYS 20 1.141 -2.352 -2.153
123 1HB LYS 20 2HB LYS 20 1.902 -2.538 0.460
124 2HB LYS 20 1HB LYS 20 0.148 -2.634 0.626
125 1HG LYS 20 2HG LYS 20 0.680 -4.284 -1.545
126 2HG LYS 20 1HG LYS 20 2.020 -4.609 -0.445
127 1HD LYS 20 2HD LYS 20 0.567 -5.258 1.312
128 2HD LYS 20 1HD LYS 20 -0.838 -4.539 0.526
129 1HE LYS 20 2HE LYS 20 -1.262 -6.475 -0.567
130 2HE LYS 20 1HE LYS 20 0.386 -6.502 -1.225
131 1HZ LYS 20 1HZ LYS 20 -0.234 -8.357 0.380
132 2HZ LYS 20 2HZ LYS 20 -0.177 -7.177 1.600
133 3HZ LYS 20 3HZ LYS 20 1.213 -7.528 0.688
134 HA PRO 21 HA PRO 21 -2.803 -0.407 -2.594
135 1HB PRO 21 2HB PRO 21 -3.914 -2.295 -4.240
136 2HB PRO 21 1HB PRO 21 -2.825 -1.015 -4.783
137 1HG PRO 21 2HG PRO 21 -2.298 -3.871 -4.365
138 2HG PRO 21 1HG PRO 21 -1.517 -2.743 -5.459
139 1HD PRO 21 2HD PRO 21 -0.476 -3.685 -3.051
140 2HD PRO 21 1HD PRO 21 0.104 -2.276 -3.954
141 H THR 22 H THR 22 -4.600 -0.477 -1.416
142 HA THR 22 HA THR 22 -5.030 -2.579 0.533
143 HB THR 22 HB THR 22 -6.668 -1.057 1.349
144 HG1 THR 22 1HG THR 22 -6.700 0.159 -1.209
145 1HG2 THR 22 1HG2 THR 22 -4.145 -0.138 0.628
146 2HG2 THR 22 2HG2 THR 22 -5.266 0.684 1.713
147 3HG2 THR 22 3HG2 THR 22 -5.227 1.107 0.002
148 H PHE 23 H PHE 23 -5.328 -4.370 -1.127
149 HA PHE 23 HA PHE 23 -8.101 -4.362 -2.274
150 1HB PHE 23 2HB PHE 23 -5.774 -4.578 -3.598
151 2HB PHE 23 1HB PHE 23 -5.986 -6.274 -3.161
152 HD1 PHE 23 1HD PHE 23 -8.058 -3.412 -4.438
153 HD2 PHE 23 2HD PHE 23 -7.176 -7.611 -4.647
154 HE1 PHE 23 1HE PHE 23 -9.731 -3.674 -6.250
155 HE2 PHE 23 2HE PHE 23 -8.849 -7.872 -6.459
156 HZ PHE 23 HZ PHE 23 -10.126 -5.904 -7.261
Start of MODEL 17
1 1H GLU 1 1HT GLU 1 17.148 11.820 -14.023
2 2H GLU 1 2HT GLU 1 15.701 12.485 -13.431
3 3H GLU 1 3HT GLU 1 15.844 10.805 -13.638
4 HA GLU 1 HA GLU 1 17.843 11.100 -11.975
5 1HB GLU 1 2HB GLU 1 16.957 13.667 -12.282
6 2HB GLU 1 1HB GLU 1 16.070 13.182 -10.837
7 1HG GLU 1 2HG GLU 1 17.980 12.942 -9.576
8 2HG GLU 1 1HG GLU 1 18.961 12.466 -10.962
9 H ASN 2 H ASN 2 17.077 9.120 -11.212
10 HA ASN 2 HA ASN 2 14.352 8.556 -10.512
11 1HB ASN 2 2HB ASN 2 17.046 7.345 -10.257
12 2HB ASN 2 1HB ASN 2 15.847 6.768 -9.099
13 1HD2 ASN 2 1HD2 ASN 2 16.513 4.801 -10.771
14 2HD2 ASN 2 2HD2 ASN 2 15.386 4.586 -12.023
15 H PHE 3 H PHE 3 13.348 8.529 -8.449
16 HA PHE 3 HA PHE 3 14.887 9.604 -6.133
17 1HB PHE 3 2HB PHE 3 13.973 11.570 -7.145
18 2HB PHE 3 1HB PHE 3 12.427 10.778 -7.448
19 HD1 PHE 3 1HD PHE 3 14.637 11.004 -4.423
20 HD2 PHE 3 2HD PHE 3 10.763 11.742 -6.128
21 HE1 PHE 3 1HE PHE 3 13.810 11.767 -2.213
22 HE2 PHE 3 2HE PHE 3 9.937 12.507 -3.918
23 HZ PHE 3 HZ PHE 3 11.460 12.519 -1.960
24 H ALA 4 H ALA 4 14.591 7.784 -4.836
25 HA ALA 4 HA ALA 4 12.409 6.018 -4.754
26 1HB ALA 4 1HB ALA 4 14.355 7.024 -2.665
27 2HB ALA 4 2HB ALA 4 14.447 5.533 -3.602
28 3HB ALA 4 3HB ALA 4 13.229 5.707 -2.339
29 H GLY 5 H GLY 5 10.566 5.905 -3.296
30 1HA GLY 5 2HA GLY 5 9.165 6.936 -1.556
31 2HA GLY 5 1HA GLY 5 9.777 8.509 -2.068
32 H GLY 6 H GLY 6 7.003 7.004 -2.032
33 1HA GLY 6 2HA GLY 6 5.268 8.215 -3.470
34 2HA GLY 6 1HA GLY 6 6.263 7.720 -4.841
35 H CYS 7 H CYS 7 3.429 7.002 -4.004
36 HA CYS 7 HA CYS 7 3.788 4.027 -4.157
37 1HB CYS 7 2HB CYS 7 1.851 5.695 -2.521
38 2HB CYS 7 1HB CYS 7 1.725 3.945 -2.700
39 H ALA 8 H ALA 8 1.440 3.090 -4.794
40 HA ALA 8 HA ALA 8 0.711 4.462 -7.311
41 1HB ALA 8 1HB ALA 8 0.583 2.294 -7.912
42 2HB ALA 8 2HB ALA 8 -0.828 2.127 -6.869
43 3HB ALA 8 3HB ALA 8 0.784 1.788 -6.235
44 H THR 9 H THR 9 -1.909 3.876 -7.653
45 HA THR 9 HA THR 9 -3.407 5.892 -6.536
46 HB THR 9 HB THR 9 -4.391 4.622 -8.245
47 HG1 THR 9 1HG THR 9 -6.068 4.991 -6.946
48 1HG2 THR 9 1HG2 THR 9 -3.193 2.610 -8.274
49 2HG2 THR 9 2HG2 THR 9 -4.808 2.081 -7.802
50 3HG2 THR 9 3HG2 THR 9 -3.547 2.263 -6.581
51 H GLY 10 H GLY 10 -4.783 2.939 -5.351
52 1HA GLY 10 2HA GLY 10 -4.804 4.061 -2.634
53 2HA GLY 10 1HA GLY 10 -5.678 2.626 -3.170
54 H PHE 11 H PHE 11 -2.210 3.542 -3.130
55 HA PHE 11 HA PHE 11 -1.507 0.847 -2.167
56 1HB PHE 11 2HB PHE 11 -0.434 3.096 -3.723
57 2HB PHE 11 1HB PHE 11 0.720 2.379 -2.645
58 HD1 PHE 11 1HD PHE 11 -1.968 1.214 -4.999
59 HD2 PHE 11 2HD PHE 11 2.033 0.649 -3.556
60 HE1 PHE 11 1HE PHE 11 -1.619 -0.600 -6.651
61 HE2 PHE 11 2HE PHE 11 2.376 -1.165 -5.195
62 HZ PHE 11 HZ PHE 11 0.553 -1.788 -6.750
63 H MET 12 H MET 12 -1.400 0.709 0.079
64 HA MET 12 HA MET 12 -0.800 3.165 1.650
65 1HB MET 12 2HB MET 12 -2.614 1.085 1.869
66 2HB MET 12 1HB MET 12 -1.381 0.649 3.050
67 1HG MET 12 2HG MET 12 -1.544 2.947 4.012
68 2HG MET 12 1HG MET 12 -2.857 3.292 2.888
69 1HE MET 12 1HE MET 12 -1.370 1.583 5.601
70 2HE MET 12 2HE MET 12 -2.524 0.491 6.362
71 3HE MET 12 3HE MET 12 -2.576 2.212 6.731
72 H ARG 13 H ARG 13 1.230 3.459 2.460
73 HA ARG 13 HA ARG 13 3.479 1.901 1.969
74 1HB ARG 13 2HB ARG 13 2.871 4.223 3.279
75 2HB ARG 13 1HB ARG 13 3.379 3.200 4.623
76 1HG ARG 13 2HG ARG 13 5.280 4.458 3.605
77 2HG ARG 13 1HG ARG 13 5.491 2.709 3.504
78 1HD ARG 13 2HD ARG 13 5.480 2.759 1.234
79 2HD ARG 13 1HD ARG 13 4.033 3.788 1.199
80 HE ARG 13 HE ARG 13 5.457 5.738 1.387
81 1HH1 ARG 13 1HH1 ARG 13 7.579 4.341 3.088
82 2HH1 ARG 13 2HH1 ARG 13 8.924 4.333 1.996
83 1HH2 ARG 13 1HH2 ARG 13 6.998 5.037 -0.801
84 2HH2 ARG 13 2HH2 ARG 13 8.595 4.720 -0.206
85 H THR 14 H THR 14 4.070 -0.125 2.628
86 HA THR 14 HA THR 14 2.572 -1.458 4.798
87 HB THR 14 HB THR 14 4.850 -2.697 3.308
88 HG1 THR 14 1HG THR 14 3.963 -1.689 1.614
89 1HG2 THR 14 1HG2 THR 14 3.760 -4.603 3.838
90 2HG2 THR 14 2HG2 THR 14 2.210 -3.958 3.296
91 3HG2 THR 14 3HG2 THR 14 2.793 -3.602 4.922
92 H ALA 15 H ALA 15 3.562 -2.231 6.706
93 HA ALA 15 HA ALA 15 5.444 -0.758 8.083
94 1HB ALA 15 1HB ALA 15 5.574 -2.660 9.538
95 2HB ALA 15 2HB ALA 15 5.255 -3.776 8.210
96 3HB ALA 15 3HB ALA 15 3.972 -2.722 8.802
97 H ASP 16 H ASP 16 6.096 -3.198 5.623
98 HA ASP 16 HA ASP 16 8.915 -3.509 6.181
99 1HB ASP 16 2HB ASP 16 8.885 -4.538 3.912
100 2HB ASP 16 1HB ASP 16 7.556 -5.120 4.913
101 H GLY 17 H GLY 17 7.122 -0.921 4.912
102 1HA GLY 17 2HA GLY 17 8.040 1.209 4.320
103 2HA GLY 17 1HA GLY 17 9.609 0.438 4.077
104 H ARG 18 H ARG 18 6.390 -0.306 2.698
105 HA ARG 18 HA ARG 18 7.434 0.417 0.001
106 1HB ARG 18 2HB ARG 18 6.718 -2.292 1.054
107 2HB ARG 18 1HB ARG 18 6.372 -1.931 -0.636
108 1HG ARG 18 2HG ARG 18 8.668 -1.435 -1.094
109 2HG ARG 18 1HG ARG 18 9.080 -1.443 0.621
110 1HD ARG 18 2HD ARG 18 9.541 -3.654 0.475
111 2HD ARG 18 1HD ARG 18 7.858 -3.961 0.000
112 HE ARG 18 HE ARG 18 8.525 -3.908 -2.293
113 1HH1 ARG 18 1HH1 ARG 18 10.348 -1.468 -1.907
114 2HH1 ARG 18 2HH1 ARG 18 11.885 -2.144 -2.330
115 1HH2 ARG 18 1HH2 ARG 18 10.811 -5.429 -2.078
116 2HH2 ARG 18 2HH2 ARG 18 12.146 -4.385 -2.430
117 H CYS 19 H CYS 19 5.656 0.404 -1.634
118 HA CYS 19 HA CYS 19 3.136 1.420 -0.473
119 1HB CYS 19 2HB CYS 19 4.216 1.179 -3.296
120 2HB CYS 19 1HB CYS 19 2.818 2.137 -2.806
121 H LYS 20 H LYS 20 1.501 -0.041 -0.118
122 HA LYS 20 HA LYS 20 1.219 -2.344 -2.025
123 1HB LYS 20 2HB LYS 20 1.442 -2.145 0.892
124 2HB LYS 20 1HB LYS 20 0.032 -3.074 0.382
125 1HG LYS 20 2HG LYS 20 2.848 -3.552 -0.635
126 2HG LYS 20 1HG LYS 20 2.086 -4.481 0.657
127 1HD LYS 20 2HD LYS 20 1.155 -5.809 -0.898
128 2HD LYS 20 1HD LYS 20 0.234 -4.424 -1.485
129 1HE LYS 20 2HE LYS 20 1.455 -4.409 -3.391
130 2HE LYS 20 1HE LYS 20 2.946 -4.222 -2.447
131 1HZ LYS 20 1HZ LYS 20 3.213 -6.289 -3.441
132 2HZ LYS 20 2HZ LYS 20 1.576 -6.709 -3.262
133 3HZ LYS 20 3HZ LYS 20 2.606 -6.692 -1.909
134 HA PRO 21 HA PRO 21 -2.724 -0.400 -2.589
135 1HB PRO 21 2HB PRO 21 -3.732 -2.244 -4.346
136 2HB PRO 21 1HB PRO 21 -2.642 -0.930 -4.797
137 1HG PRO 21 2HG PRO 21 -2.086 -3.792 -4.451
138 2HG PRO 21 1HG PRO 21 -1.283 -2.617 -5.480
139 1HD PRO 21 2HD PRO 21 -0.309 -3.612 -3.070
140 2HD PRO 21 1HD PRO 21 0.267 -2.158 -3.901
141 H THR 22 H THR 22 -4.581 -0.553 -1.511
142 HA THR 22 HA THR 22 -5.052 -2.699 0.366
143 HB THR 22 HB THR 22 -6.841 -1.271 1.058
144 HG1 THR 22 1HG THR 22 -6.704 0.158 -1.361
145 1HG2 THR 22 1HG2 THR 22 -4.292 -0.226 0.509
146 2HG2 THR 22 2HG2 THR 22 -5.489 0.452 1.612
147 3HG2 THR 22 3HG2 THR 22 -5.418 1.004 -0.061
148 H PHE 23 H PHE 23 -5.870 -2.239 -2.943
149 HA PHE 23 HA PHE 23 -7.920 -4.424 -2.755
150 1HB PHE 23 2HB PHE 23 -7.839 -1.779 -4.116
151 2HB PHE 23 1HB PHE 23 -8.575 -3.101 -5.023
152 HD1 PHE 23 1HD PHE 23 -9.128 -0.619 -2.540
153 HD2 PHE 23 2HD PHE 23 -10.285 -4.592 -3.695
154 HE1 PHE 23 1HE PHE 23 -11.190 -0.416 -1.176
155 HE2 PHE 23 2HE PHE 23 -12.346 -4.388 -2.331
156 HZ PHE 23 HZ PHE 23 -12.798 -2.300 -1.071
Start of MODEL 18
1 1H GLU 1 1HT GLU 1 -6.628 16.406 2.095
2 2H GLU 1 2HT GLU 1 -7.951 16.961 1.186
3 3H GLU 1 3HT GLU 1 -7.011 18.058 2.079
4 HA GLU 1 HA GLU 1 -6.553 18.052 -0.378
5 1HB GLU 1 2HB GLU 1 -5.011 18.358 1.906
6 2HB GLU 1 1HB GLU 1 -4.034 17.276 0.912
7 1HG GLU 1 2HG GLU 1 -3.351 19.110 -0.209
8 2HG GLU 1 1HG GLU 1 -4.975 19.181 -0.894
9 H ASN 2 H ASN 2 -4.280 16.799 -1.369
10 HA ASN 2 HA ASN 2 -4.676 13.869 -1.197
11 1HB ASN 2 2HB ASN 2 -5.059 13.799 -3.688
12 2HB ASN 2 1HB ASN 2 -6.365 14.578 -2.794
13 1HD2 ASN 2 1HD2 ASN 2 -6.759 16.816 -3.190
14 2HD2 ASN 2 2HD2 ASN 2 -5.871 17.731 -4.310
15 H PHE 3 H PHE 3 -2.396 14.412 -0.346
16 HA PHE 3 HA PHE 3 -0.414 15.169 -2.400
17 1HB PHE 3 2HB PHE 3 -0.257 15.982 -0.087
18 2HB PHE 3 1HB PHE 3 -0.218 14.322 0.511
19 HD1 PHE 3 1HD PHE 3 1.579 16.611 -1.855
20 HD2 PHE 3 2HD PHE 3 1.843 13.255 0.814
21 HE1 PHE 3 1HE PHE 3 4.038 16.555 -2.169
22 HE2 PHE 3 2HE PHE 3 4.303 13.199 0.499
23 HZ PHE 3 HZ PHE 3 5.401 14.849 -0.992
24 H ALA 4 H ALA 4 1.452 13.718 -2.834
25 HA ALA 4 HA ALA 4 0.827 10.812 -2.448
26 1HB ALA 4 1HB ALA 4 1.691 12.284 -4.958
27 2HB ALA 4 2HB ALA 4 0.132 11.507 -4.681
28 3HB ALA 4 3HB ALA 4 1.593 10.529 -4.824
29 H GLY 5 H GLY 5 2.499 10.284 -1.035
30 1HA GLY 5 2HA GLY 5 5.098 11.498 -1.075
31 2HA GLY 5 1HA GLY 5 4.695 9.988 -0.255
32 H GLY 6 H GLY 6 4.235 8.131 -1.969
33 1HA GLY 6 2HA GLY 6 5.565 8.191 -4.496
34 2HA GLY 6 1HA GLY 6 6.680 7.559 -3.284
35 H CYS 7 H CYS 7 3.163 7.130 -3.827
36 HA CYS 7 HA CYS 7 3.664 4.179 -3.982
37 1HB CYS 7 2HB CYS 7 1.637 5.735 -2.349
38 2HB CYS 7 1HB CYS 7 1.562 3.990 -2.575
39 H ALA 8 H ALA 8 1.590 3.057 -4.840
40 HA ALA 8 HA ALA 8 0.785 4.392 -7.311
41 1HB ALA 8 1HB ALA 8 -0.723 2.033 -6.795
42 2HB ALA 8 2HB ALA 8 0.904 1.759 -6.171
43 3HB ALA 8 3HB ALA 8 0.672 2.208 -7.859
44 H THR 9 H THR 9 -1.815 3.772 -7.704
45 HA THR 9 HA THR 9 -3.377 5.785 -6.701
46 HB THR 9 HB THR 9 -4.311 4.419 -8.360
47 HG1 THR 9 1HG THR 9 -6.183 3.539 -7.401
48 1HG2 THR 9 1HG2 THR 9 -3.306 2.377 -8.459
49 2HG2 THR 9 2HG2 THR 9 -4.695 1.853 -7.507
50 3HG2 THR 9 3HG2 THR 9 -3.175 2.249 -6.705
51 H GLY 10 H GLY 10 -4.675 2.839 -5.392
52 1HA GLY 10 2HA GLY 10 -4.730 4.091 -2.718
53 2HA GLY 10 1HA GLY 10 -5.640 2.662 -3.209
54 H PHE 11 H PHE 11 -2.160 3.519 -3.153
55 HA PHE 11 HA PHE 11 -1.497 0.828 -2.148
56 1HB PHE 11 2HB PHE 11 -0.385 3.056 -3.708
57 2HB PHE 11 1HB PHE 11 0.748 2.335 -2.610
58 HD1 PHE 11 1HD PHE 11 -1.957 1.094 -4.908
59 HD2 PHE 11 2HD PHE 11 2.102 0.683 -3.579
60 HE1 PHE 11 1HE PHE 11 -1.596 -0.729 -6.546
61 HE2 PHE 11 2HE PHE 11 2.457 -1.144 -5.204
62 HZ PHE 11 HZ PHE 11 0.610 -1.847 -6.697
63 H MET 12 H MET 12 -1.345 0.694 0.098
64 HA MET 12 HA MET 12 -0.766 3.168 1.652
65 1HB MET 12 2HB MET 12 -2.724 1.889 2.278
66 2HB MET 12 1HB MET 12 -1.787 0.396 2.340
67 1HG MET 12 2HG MET 12 -1.681 0.876 4.571
68 2HG MET 12 1HG MET 12 -0.356 1.924 4.067
69 1HE MET 12 1HE MET 12 -3.747 2.644 6.411
70 2HE MET 12 2HE MET 12 -3.421 1.228 5.415
71 3HE MET 12 3HE MET 12 -4.590 2.427 4.870
72 H ARG 13 H ARG 13 1.261 3.477 2.462
73 HA ARG 13 HA ARG 13 3.499 1.863 1.972
74 1HB ARG 13 2HB ARG 13 2.734 3.950 3.989
75 2HB ARG 13 1HB ARG 13 4.291 3.136 4.154
76 1HG ARG 13 2HG ARG 13 3.815 3.906 1.398
77 2HG ARG 13 1HG ARG 13 3.713 5.303 2.472
78 1HD ARG 13 2HD ARG 13 5.914 4.178 3.519
79 2HD ARG 13 1HD ARG 13 6.058 3.559 1.862
80 HE ARG 13 HE ARG 13 5.342 6.359 1.864
81 1HH1 ARG 13 1HH1 ARG 13 7.952 4.232 2.599
82 2HH1 ARG 13 2HH1 ARG 13 9.169 5.295 1.974
83 1HH2 ARG 13 1HH2 ARG 13 6.906 7.702 0.921
84 2HH2 ARG 13 2HH2 ARG 13 8.576 7.258 1.023
85 H THR 14 H THR 14 3.926 -0.185 2.678
86 HA THR 14 HA THR 14 2.517 -1.264 5.040
87 HB THR 14 HB THR 14 4.114 -3.254 4.106
88 HG1 THR 14 1HG THR 14 5.113 -2.110 2.529
89 1HG2 THR 14 1HG2 THR 14 1.912 -3.837 4.009
90 2HG2 THR 14 2HG2 THR 14 2.080 -3.399 2.309
91 3HG2 THR 14 3HG2 THR 14 1.411 -2.239 3.457
92 H ALA 15 H ALA 15 3.588 -1.988 6.918
93 HA ALA 15 HA ALA 15 5.678 -0.589 8.050
94 1HB ALA 15 1HB ALA 15 4.107 -2.474 8.923
95 2HB ALA 15 2HB ALA 15 5.708 -2.327 9.649
96 3HB ALA 15 3HB ALA 15 5.400 -3.567 8.433
97 H ASP 16 H ASP 16 5.935 -3.108 5.619
98 HA ASP 16 HA ASP 16 8.734 -3.711 5.989
99 1HB ASP 16 2HB ASP 16 6.538 -4.229 4.098
100 2HB ASP 16 1HB ASP 16 8.128 -4.189 3.336
101 H GLY 17 H GLY 17 7.168 -0.910 4.921
102 1HA GLY 17 2HA GLY 17 8.210 1.117 4.238
103 2HA GLY 17 1HA GLY 17 9.710 0.224 3.973
104 H ARG 18 H ARG 18 6.425 -0.292 2.672
105 HA ARG 18 HA ARG 18 7.420 0.373 -0.052
106 1HB ARG 18 2HB ARG 18 6.488 -2.325 0.943
107 2HB ARG 18 1HB ARG 18 6.495 -1.912 -0.772
108 1HG ARG 18 2HG ARG 18 8.919 -1.738 1.040
109 2HG ARG 18 1HG ARG 18 8.584 -3.083 -0.050
110 1HD ARG 18 2HD ARG 18 8.336 -0.616 -1.519
111 2HD ARG 18 1HD ARG 18 9.908 -0.658 -0.696
112 HE ARG 18 HE ARG 18 9.889 -3.148 -1.651
113 1HH1 ARG 18 1HH2 ARG 18 7.548 -1.746 -3.333
114 2HH1 ARG 18 2HH2 ARG 18 8.370 -1.621 -4.852
115 1HH2 ARG 18 1HH1 ARG 18 11.490 -2.347 -3.524
116 2HH2 ARG 18 2HH1 ARG 18 10.602 -1.960 -4.960
117 H CYS 19 H CYS 19 5.629 0.484 -1.622
118 HA CYS 19 HA CYS 19 3.120 1.437 -0.389
119 1HB CYS 19 2HB CYS 19 4.215 1.335 -3.215
120 2HB CYS 19 1HB CYS 19 2.759 2.202 -2.726
121 H LYS 20 H LYS 20 1.502 -0.065 -0.073
122 HA LYS 20 HA LYS 20 1.237 -2.283 -2.082
123 1HB LYS 20 2HB LYS 20 2.080 -2.948 0.170
124 2HB LYS 20 1HB LYS 20 0.617 -2.275 0.891
125 1HG LYS 20 2HG LYS 20 0.230 -4.212 -1.332
126 2HG LYS 20 1HG LYS 20 0.822 -4.870 0.194
127 1HD LYS 20 2HD LYS 20 -1.058 -3.828 1.390
128 2HD LYS 20 1HD LYS 20 -1.648 -3.139 -0.123
129 1HE LYS 20 2HE LYS 20 -2.039 -5.367 -1.045
130 2HE LYS 20 1HE LYS 20 -1.331 -6.117 0.401
131 1HZ LYS 20 1HZ LYS 20 -3.917 -5.629 0.208
132 2HZ LYS 20 2HZ LYS 20 -3.421 -4.122 0.817
133 3HZ LYS 20 3HZ LYS 20 -3.091 -5.544 1.687
134 HA PRO 21 HA PRO 21 -2.728 -0.403 -2.611
135 1HB PRO 21 2HB PRO 21 -3.753 -2.280 -4.326
136 2HB PRO 21 1HB PRO 21 -2.678 -0.967 -4.812
137 1HG PRO 21 2HG PRO 21 -2.097 -3.820 -4.425
138 2HG PRO 21 1HG PRO 21 -1.320 -2.658 -5.488
139 1HD PRO 21 2HD PRO 21 -0.293 -3.603 -3.083
140 2HD PRO 21 1HD PRO 21 0.247 -2.151 -3.938
141 H THR 22 H THR 22 -4.630 -0.568 -1.594
142 HA THR 22 HA THR 22 -5.055 -2.590 0.411
143 HB THR 22 HB THR 22 -6.947 -1.226 0.935
144 HG1 THR 22 1HG THR 22 -6.797 -0.033 -1.617
145 1HG2 THR 22 1HG2 THR 22 -4.550 -0.121 0.823
146 2HG2 THR 22 2HG2 THR 22 -5.968 0.885 1.122
147 3HG2 THR 22 3HG2 THR 22 -5.263 0.812 -0.493
148 H PHE 23 H PHE 23 -6.093 -2.223 -2.918
149 HA PHE 23 HA PHE 23 -7.936 -4.566 -2.600
150 1HB PHE 23 2HB PHE 23 -8.570 -2.167 -3.515
151 2HB PHE 23 1HB PHE 23 -7.830 -2.763 -5.001
152 HD1 PHE 23 1HD PHE 23 -10.742 -2.867 -2.868
153 HD2 PHE 23 2HD PHE 23 -8.660 -4.959 -5.988
154 HE1 PHE 23 1HE PHE 23 -12.802 -4.151 -3.381
155 HE2 PHE 23 2HE PHE 23 -10.718 -6.243 -6.501
156 HZ PHE 23 HZ PHE 23 -12.788 -5.840 -5.197
Start of MODEL 19
1 1H GLU 1 1HT GLU 1 17.458 10.504 7.660
2 2H GLU 1 2HT GLU 1 17.581 12.160 7.300
3 3H GLU 1 3HT GLU 1 17.117 11.058 6.094
4 HA GLU 1 HA GLU 1 15.240 10.587 7.967
5 1HB GLU 1 2HB GLU 1 16.291 12.432 9.283
6 2HB GLU 1 1HB GLU 1 15.944 13.542 7.956
7 1HG GLU 1 2HG GLU 1 13.561 12.064 8.654
8 2HG GLU 1 1HG GLU 1 14.228 12.849 10.086
9 H ASN 2 H ASN 2 13.430 10.426 6.688
10 HA ASN 2 HA ASN 2 12.870 12.451 4.612
11 1HB ASN 2 2HB ASN 2 14.292 10.012 4.112
12 2HB ASN 2 1HB ASN 2 12.714 9.899 3.333
13 1HD2 ASN 2 1HD2 ASN 2 14.743 10.052 1.545
14 2HD2 ASN 2 2HD2 ASN 2 14.884 11.605 0.877
15 H PHE 3 H PHE 3 10.733 12.827 5.087
16 HA PHE 3 HA PHE 3 8.945 10.443 5.431
17 1HB PHE 3 2HB PHE 3 9.678 12.297 7.353
18 2HB PHE 3 1HB PHE 3 8.138 12.932 6.773
19 HD1 PHE 3 1HD PHE 3 6.389 10.851 6.241
20 HD2 PHE 3 2HD PHE 3 9.495 10.908 9.208
21 HE1 PHE 3 1HE PHE 3 5.183 9.114 7.538
22 HE2 PHE 3 2HE PHE 3 8.289 9.172 10.505
23 HZ PHE 3 HZ PHE 3 6.132 8.275 9.670
24 H ALA 4 H ALA 4 7.350 10.433 3.897
25 HA ALA 4 HA ALA 4 5.900 12.820 3.118
26 1HB ALA 4 1HB ALA 4 8.215 11.801 1.512
27 2HB ALA 4 2HB ALA 4 7.705 13.464 1.801
28 3HB ALA 4 3HB ALA 4 6.826 12.460 0.649
29 H GLY 5 H GLY 5 6.666 10.434 0.678
30 1HA GLY 5 2HA GLY 5 4.758 8.428 1.317
31 2HA GLY 5 1HA GLY 5 3.951 9.644 0.327
32 H GLY 6 H GLY 6 3.861 8.897 -1.734
33 1HA GLY 6 2HA GLY 6 5.010 8.572 -3.857
34 2HA GLY 6 1HA GLY 6 6.400 7.947 -2.969
35 H CYS 7 H CYS 7 3.020 7.185 -3.792
36 HA CYS 7 HA CYS 7 3.786 4.308 -3.940
37 1HB CYS 7 2HB CYS 7 1.623 5.575 -2.240
38 2HB CYS 7 1HB CYS 7 1.636 3.855 -2.625
39 H ALA 8 H ALA 8 1.584 3.107 -4.712
40 HA ALA 8 HA ALA 8 0.862 4.393 -7.245
41 1HB ALA 8 1HB ALA 8 0.742 2.206 -7.767
42 2HB ALA 8 2HB ALA 8 -0.658 2.044 -6.710
43 3HB ALA 8 3HB ALA 8 0.966 1.781 -6.072
44 H THR 9 H THR 9 -1.720 3.814 -7.704
45 HA THR 9 HA THR 9 -3.297 5.830 -6.733
46 HB THR 9 HB THR 9 -4.204 4.484 -8.419
47 HG1 THR 9 1HG THR 9 -6.133 3.933 -7.622
48 1HG2 THR 9 1HG2 THR 9 -3.324 2.411 -8.583
49 2HG2 THR 9 2HG2 THR 9 -4.583 1.898 -7.460
50 3HG2 THR 9 3HG2 THR 9 -2.986 2.340 -6.854
51 H GLY 10 H GLY 10 -4.614 2.865 -5.467
52 1HA GLY 10 2HA GLY 10 -4.726 4.118 -2.789
53 2HA GLY 10 1HA GLY 10 -5.651 2.708 -3.307
54 H PHE 11 H PHE 11 -2.155 3.498 -3.161
55 HA PHE 11 HA PHE 11 -1.576 0.790 -2.152
56 1HB PHE 11 2HB PHE 11 -0.386 3.005 -3.678
57 2HB PHE 11 1HB PHE 11 0.713 2.233 -2.579
58 HD1 PHE 11 1HD PHE 11 2.049 0.604 -3.621
59 HD2 PHE 11 2HD PHE 11 -2.036 1.058 -4.865
60 HE1 PHE 11 1HE PHE 11 2.362 -1.191 -5.290
61 HE2 PHE 11 2HE PHE 11 -1.718 -0.742 -6.534
62 HZ PHE 11 HZ PHE 11 0.480 -1.864 -6.752
63 H MET 12 H MET 12 -1.432 0.633 0.093
64 HA MET 12 HA MET 12 -0.853 3.085 1.683
65 1HB MET 12 2HB MET 12 -2.730 1.153 1.924
66 2HB MET 12 1HB MET 12 -1.460 0.451 2.929
67 1HG MET 12 2HG MET 12 -1.370 2.429 4.314
68 2HG MET 12 1HG MET 12 -2.466 3.292 3.234
69 1HE MET 12 1HE MET 12 -1.834 1.973 6.117
70 2HE MET 12 2HE MET 12 -2.715 0.480 6.428
71 3HE MET 12 3HE MET 12 -3.410 2.022 6.919
72 H ARG 13 H ARG 13 1.230 3.391 2.343
73 HA ARG 13 HA ARG 13 3.443 1.780 1.894
74 1HB ARG 13 2HB ARG 13 2.694 3.763 4.037
75 2HB ARG 13 1HB ARG 13 4.284 2.997 4.052
76 1HG ARG 13 2HG ARG 13 3.204 4.309 1.560
77 2HG ARG 13 1HG ARG 13 4.060 5.240 2.789
78 1HD ARG 13 2HD ARG 13 5.584 2.870 2.290
79 2HD ARG 13 1HD ARG 13 5.196 3.616 0.727
80 HE ARG 13 HE ARG 13 5.931 5.815 2.010
81 1HH1 ARG 13 1HH1 ARG 13 7.031 4.245 4.322
82 2HH1 ARG 13 2HH1 ARG 13 8.698 4.077 3.882
83 1HH2 ARG 13 1HH2 ARG 13 8.182 4.917 0.559
84 2HH2 ARG 13 2HH2 ARG 13 9.350 4.458 1.753
85 H THR 14 H THR 14 4.069 -0.198 2.657
86 HA THR 14 HA THR 14 2.570 -1.424 4.902
87 HB THR 14 HB THR 14 4.367 -3.279 4.007
88 HG1 THR 14 1HG THR 14 4.026 -2.704 1.580
89 1HG2 THR 14 1HG2 THR 14 2.116 -2.999 2.161
90 2HG2 THR 14 2HG2 THR 14 1.636 -2.822 3.848
91 3HG2 THR 14 3HG2 THR 14 2.467 -4.284 3.317
92 H ALA 15 H ALA 15 3.593 -2.093 6.836
93 HA ALA 15 HA ALA 15 5.540 -0.584 8.073
94 1HB ALA 15 1HB ALA 15 6.017 -3.054 9.126
95 2HB ALA 15 2HB ALA 15 4.493 -3.350 8.288
96 3HB ALA 15 3HB ALA 15 4.594 -2.089 9.517
97 H ASP 16 H ASP 16 6.068 -3.099 5.673
98 HA ASP 16 HA ASP 16 8.891 -3.485 6.156
99 1HB ASP 16 2HB ASP 16 7.157 -3.858 3.691
100 2HB ASP 16 1HB ASP 16 8.767 -4.544 3.908
101 H GLY 17 H GLY 17 7.137 -0.864 4.892
102 1HA GLY 17 2HA GLY 17 8.086 1.229 4.237
103 2HA GLY 17 1HA GLY 17 9.636 0.422 3.992
104 H ARG 18 H ARG 18 6.433 -0.429 2.671
105 HA ARG 18 HA ARG 18 7.429 0.283 -0.055
106 1HB ARG 18 2HB ARG 18 6.520 -2.410 0.972
107 2HB ARG 18 1HB ARG 18 6.535 -2.024 -0.749
108 1HG ARG 18 2HG ARG 18 8.918 -1.573 -0.687
109 2HG ARG 18 1HG ARG 18 8.948 -1.765 1.067
110 1HD ARG 18 2HD ARG 18 9.655 -3.889 0.402
111 2HD ARG 18 1HD ARG 18 7.901 -4.153 0.457
112 HE ARG 18 HE ARG 18 8.671 -3.071 -2.101
113 1HH1 ARG 18 1HH1 ARG 18 6.683 -5.244 -1.853
114 2HH1 ARG 18 2HH1 ARG 18 7.539 -6.623 -2.458
115 1HH2 ARG 18 1HH2 ARG 18 10.662 -5.147 -2.158
116 2HH2 ARG 18 2HH2 ARG 18 9.792 -6.568 -2.630
117 H CYS 19 H CYS 19 5.658 0.344 -1.655
118 HA CYS 19 HA CYS 19 3.128 1.292 -0.457
119 1HB CYS 19 2HB CYS 19 4.259 1.209 -3.269
120 2HB CYS 19 1HB CYS 19 2.797 2.074 -2.789
121 H LYS 20 H LYS 20 1.393 -0.075 -0.312
122 HA LYS 20 HA LYS 20 1.155 -2.286 -2.322
123 1HB LYS 20 2HB LYS 20 1.844 -2.566 0.337
124 2HB LYS 20 1HB LYS 20 0.098 -2.810 0.375
125 1HG LYS 20 2HG LYS 20 0.206 -4.614 -1.167
126 2HG LYS 20 1HG LYS 20 1.857 -4.213 -1.640
127 1HD LYS 20 2HD LYS 20 2.758 -5.314 0.130
128 2HD LYS 20 1HD LYS 20 1.521 -4.726 1.242
129 1HE LYS 20 2HE LYS 20 1.031 -7.025 1.150
130 2HE LYS 20 1HE LYS 20 -0.044 -6.385 -0.109
131 1HZ LYS 20 1HZ LYS 20 1.416 -8.280 -0.827
132 2HZ LYS 20 2HZ LYS 20 2.745 -7.238 -0.644
133 3HZ LYS 20 3HZ LYS 20 1.533 -6.881 -1.779
134 HA PRO 21 HA PRO 21 -2.811 -0.414 -2.699
135 1HB PRO 21 2HB PRO 21 -3.908 -2.280 -4.384
136 2HB PRO 21 1HB PRO 21 -2.829 -0.980 -4.900
137 1HG PRO 21 2HG PRO 21 -2.284 -3.840 -4.552
138 2HG PRO 21 1HG PRO 21 -1.498 -2.679 -5.604
139 1HD PRO 21 2HD PRO 21 -0.492 -3.683 -3.199
140 2HD PRO 21 1HD PRO 21 0.118 -2.271 -4.075
141 H THR 22 H THR 22 -4.341 -0.476 -1.228
142 HA THR 22 HA THR 22 -4.817 -2.678 0.548
143 HB THR 22 HB THR 22 -6.405 -1.157 1.502
144 HG1 THR 22 1HG THR 22 -6.385 0.412 -0.829
145 1HG2 THR 22 1HG2 THR 22 -4.794 0.967 0.239
146 2HG2 THR 22 2HG2 THR 22 -3.845 -0.358 0.912
147 3HG2 THR 22 3HG2 THR 22 -4.957 0.544 1.943
148 H PHE 23 H PHE 23 -6.233 -1.749 -2.520
149 HA PHE 23 HA PHE 23 -7.905 -4.204 -2.462
150 1HB PHE 23 2HB PHE 23 -8.859 -1.346 -2.578
151 2HB PHE 23 1HB PHE 23 -9.824 -2.640 -3.288
152 HD1 PHE 23 1HD PHE 23 -9.358 -4.886 -1.466
153 HD2 PHE 23 2HD PHE 23 -9.955 -0.722 -0.593
154 HE1 PHE 23 1HE PHE 23 -10.216 -5.480 0.783
155 HE2 PHE 23 2HE PHE 23 -10.813 -1.318 1.657
156 HZ PHE 23 HZ PHE 23 -10.943 -3.696 2.344
Start of MODEL 20
1 1H GLU 1 1HT GLU 1 16.246 15.726 0.104
2 2H GLU 1 2HT GLU 1 17.210 16.494 1.274
3 3H GLU 1 3HT GLU 1 16.146 15.251 1.729
4 HA GLU 1 HA GLU 1 18.749 15.064 0.368
5 1HB GLU 1 2HB GLU 1 17.292 14.140 2.775
6 2HB GLU 1 1HB GLU 1 18.351 12.937 2.040
7 1HG GLU 1 2HG GLU 1 19.311 15.749 2.555
8 2HG GLU 1 1HG GLU 1 19.384 14.515 3.813
9 H ASN 2 H ASN 2 17.890 14.570 -1.798
10 HA ASN 2 HA ASN 2 17.172 13.073 -3.481
11 1HB ASN 2 2HB ASN 2 18.324 11.520 -1.229
12 2HB ASN 2 1HB ASN 2 17.373 10.589 -2.388
13 1HD2 ASN 2 1HD2 ASN 2 20.474 11.081 -1.854
14 2HD2 ASN 2 2HD2 ASN 2 21.074 11.300 -3.425
15 H PHE 3 H PHE 3 14.949 13.648 -3.581
16 HA PHE 3 HA PHE 3 12.993 12.640 -1.670
17 1HB PHE 3 2HB PHE 3 13.209 14.571 -3.727
18 2HB PHE 3 1HB PHE 3 11.919 13.474 -4.223
19 HD1 PHE 3 1HD PHE 3 12.062 16.494 -2.964
20 HD2 PHE 3 2HD PHE 3 10.861 12.605 -1.589
21 HE1 PHE 3 1HE PHE 3 10.529 17.546 -1.321
22 HE2 PHE 3 2HE PHE 3 9.330 13.658 0.053
23 HZ PHE 3 HZ PHE 3 9.164 16.129 0.186
24 H ALA 4 H ALA 4 12.093 10.619 -1.722
25 HA ALA 4 HA ALA 4 11.492 9.279 -4.261
26 1HB ALA 4 1HB ALA 4 13.869 8.665 -2.569
27 2HB ALA 4 2HB ALA 4 13.658 8.490 -4.311
28 3HB ALA 4 3HB ALA 4 12.982 7.285 -3.216
29 H GLY 5 H GLY 5 10.731 6.891 -3.636
30 1HA GLY 5 2HA GLY 5 9.536 5.463 -2.138
31 2HA GLY 5 1HA GLY 5 9.604 6.733 -0.914
32 H GLY 6 H GLY 6 8.096 6.017 -4.075
33 1HA GLY 6 2HA GLY 6 5.771 7.686 -3.204
34 2HA GLY 6 1HA GLY 6 6.206 7.408 -4.891
35 H CYS 7 H CYS 7 3.620 6.823 -3.822
36 HA CYS 7 HA CYS 7 3.623 3.826 -3.981
37 1HB CYS 7 2HB CYS 7 1.821 5.750 -2.478
38 2HB CYS 7 1HB CYS 7 1.581 4.006 -2.544
39 H ALA 8 H ALA 8 1.391 3.023 -4.771
40 HA ALA 8 HA ALA 8 0.731 4.464 -7.264
41 1HB ALA 8 1HB ALA 8 0.564 2.312 -7.917
42 2HB ALA 8 2HB ALA 8 -0.837 2.122 -6.862
43 3HB ALA 8 3HB ALA 8 0.781 1.776 -6.250
44 H THR 9 H THR 9 -1.887 3.862 -7.665
45 HA THR 9 HA THR 9 -3.428 5.869 -6.616
46 HB THR 9 HB THR 9 -4.392 4.545 -8.289
47 HG1 THR 9 1HG THR 9 -5.864 4.996 -6.528
48 1HG2 THR 9 1HG2 THR 9 -3.169 2.556 -8.299
49 2HG2 THR 9 2HG2 THR 9 -4.754 1.996 -7.767
50 3HG2 THR 9 3HG2 THR 9 -3.467 2.248 -6.588
51 H GLY 10 H GLY 10 -4.719 2.898 -5.352
52 1HA GLY 10 2HA GLY 10 -4.760 4.104 -2.657
53 2HA GLY 10 1HA GLY 10 -5.666 2.678 -3.166
54 H PHE 11 H PHE 11 -2.185 3.546 -3.110
55 HA PHE 11 HA PHE 11 -1.519 0.839 -2.152
56 1HB PHE 11 2HB PHE 11 -0.412 3.099 -3.676
57 2HB PHE 11 1HB PHE 11 0.726 2.359 -2.596
58 HD1 PHE 11 1HD PHE 11 -1.967 1.188 -4.952
59 HD2 PHE 11 2HD PHE 11 2.067 0.698 -3.569
60 HE1 PHE 11 1HE PHE 11 -1.599 -0.603 -6.625
61 HE2 PHE 11 2HE PHE 11 2.425 -1.097 -5.229
62 HZ PHE 11 HZ PHE 11 0.594 -1.742 -6.766
63 H MET 12 H MET 12 -1.351 0.667 0.100
64 HA MET 12 HA MET 12 -0.803 3.122 1.695
65 1HB MET 12 2HB MET 12 -2.745 1.745 2.264
66 2HB MET 12 1HB MET 12 -1.720 0.316 2.398
67 1HG MET 12 2HG MET 12 -0.940 0.910 4.455
68 2HG MET 12 1HG MET 12 -0.859 2.621 4.036
69 1HE MET 12 1HE MET 12 -4.012 4.201 4.979
70 2HE MET 12 2HE MET 12 -3.572 3.774 3.328
71 3HE MET 12 3HE MET 12 -2.321 4.275 4.464
72 H ARG 13 H ARG 13 1.170 3.424 2.646
73 HA ARG 13 HA ARG 13 3.474 1.930 2.067
74 1HB ARG 13 2HB ARG 13 2.941 4.249 3.276
75 2HB ARG 13 1HB ARG 13 3.195 3.273 4.723
76 1HG ARG 13 2HG ARG 13 5.312 4.280 4.040
77 2HG ARG 13 1HG ARG 13 5.386 2.534 3.797
78 1HD ARG 13 2HD ARG 13 6.019 3.020 1.667
79 2HD ARG 13 1HD ARG 13 4.325 3.481 1.401
80 HE ARG 13 HE ARG 13 4.989 5.747 1.482
81 1HH1 ARG 13 1HH2 ARG 13 7.786 4.124 1.216
82 2HH1 ARG 13 2HH2 ARG 13 8.760 5.181 2.182
83 1HH2 ARG 13 1HH1 ARG 13 6.055 6.937 3.458
84 2HH2 ARG 13 2HH1 ARG 13 7.779 6.774 3.451
85 H THR 14 H THR 14 4.092 -0.094 2.701
86 HA THR 14 HA THR 14 2.633 -1.455 4.884
87 HB THR 14 HB THR 14 4.524 -3.193 3.908
88 HG1 THR 14 1HG THR 14 4.491 -2.736 1.623
89 1HG2 THR 14 1HG2 THR 14 2.732 -4.203 2.777
90 2HG2 THR 14 2HG2 THR 14 1.999 -2.654 2.362
91 3HG2 THR 14 3HG2 THR 14 1.924 -3.248 4.021
92 H ALA 15 H ALA 15 3.652 -2.187 6.792
93 HA ALA 15 HA ALA 15 5.554 -0.677 8.106
94 1HB ALA 15 1HB ALA 15 4.705 -2.225 9.539
95 2HB ALA 15 2HB ALA 15 6.042 -3.244 9.009
96 3HB ALA 15 3HB ALA 15 4.459 -3.401 8.249
97 H ASP 16 H ASP 16 6.144 -3.130 5.655
98 HA ASP 16 HA ASP 16 8.985 -3.429 6.159
99 1HB ASP 16 2HB ASP 16 6.991 -4.130 4.034
100 2HB ASP 16 1HB ASP 16 8.707 -4.258 3.646
101 H GLY 17 H GLY 17 7.234 -0.808 5.037
102 1HA GLY 17 2HA GLY 17 8.103 1.259 4.251
103 2HA GLY 17 1HA GLY 17 9.662 0.472 3.994
104 H ARG 18 H ARG 18 6.396 -0.280 2.735
105 HA ARG 18 HA ARG 18 7.392 0.292 -0.019
106 1HB ARG 18 2HB ARG 18 6.526 -2.334 1.160
107 2HB ARG 18 1HB ARG 18 6.271 -2.024 -0.557
108 1HG ARG 18 2HG ARG 18 8.587 -1.764 -0.973
109 2HG ARG 18 1HG ARG 18 8.958 -1.569 0.741
110 1HD ARG 18 2HD ARG 18 8.954 -3.831 1.131
111 2HD ARG 18 1HD ARG 18 7.639 -4.127 -0.024
112 HE ARG 18 HE ARG 18 9.258 -4.047 -1.833
113 1HH1 ARG 18 1HH2 ARG 18 10.465 -5.027 1.105
114 2HH1 ARG 18 2HH2 ARG 18 12.132 -4.745 0.731
115 1HH2 ARG 18 1HH1 ARG 18 11.461 -3.083 -2.236
116 2HH2 ARG 18 2HH1 ARG 18 12.697 -3.644 -1.159
117 H CYS 19 H CYS 19 5.592 0.319 -1.603
118 HA CYS 19 HA CYS 19 3.092 1.367 -0.397
119 1HB CYS 19 2HB CYS 19 4.232 1.279 -3.206
120 2HB CYS 19 1HB CYS 19 2.794 2.177 -2.721
121 H LYS 20 H LYS 20 1.400 -0.060 -0.185
122 HA LYS 20 HA LYS 20 1.160 -2.271 -2.203
123 1HB LYS 20 2HB LYS 20 1.951 -2.818 0.184
124 2HB LYS 20 1HB LYS 20 0.321 -2.387 0.703
125 1HG LYS 20 2HG LYS 20 -0.501 -4.048 -1.085
126 2HG LYS 20 1HG LYS 20 1.164 -4.631 -1.135
127 1HD LYS 20 2HD LYS 20 1.104 -5.390 1.084
128 2HD LYS 20 1HD LYS 20 -0.266 -4.359 1.499
129 1HE LYS 20 2HE LYS 20 -1.409 -6.358 1.261
130 2HE LYS 20 1HE LYS 20 -1.413 -5.864 -0.444
131 1HZ LYS 20 1HZ LYS 20 -0.436 -7.935 -0.559
132 2HZ LYS 20 2HZ LYS 20 0.365 -7.768 0.930
133 3HZ LYS 20 3HZ LYS 20 0.928 -6.934 -0.440
134 HA PRO 21 HA PRO 21 -2.784 -0.352 -2.733
135 1HB PRO 21 2HB PRO 21 -3.807 -2.191 -4.493
136 2HB PRO 21 1HB PRO 21 -2.714 -0.878 -4.944
137 1HG PRO 21 2HG PRO 21 -2.168 -3.742 -4.615
138 2HG PRO 21 1HG PRO 21 -1.355 -2.563 -5.630
139 1HD PRO 21 2HD PRO 21 -0.407 -3.589 -3.216
140 2HD PRO 21 1HD PRO 21 0.198 -2.144 -4.043
141 H THR 22 H THR 22 -4.609 -0.498 -1.591
142 HA THR 22 HA THR 22 -5.063 -2.595 0.307
143 HB THR 22 HB THR 22 -6.946 -1.238 0.900
144 HG1 THR 22 1HG THR 22 -6.780 0.109 -1.568
145 1HG2 THR 22 1HG2 THR 22 -4.421 -0.114 0.410
146 2HG2 THR 22 2HG2 THR 22 -5.685 0.553 1.444
147 3HG2 THR 22 3HG2 THR 22 -5.570 1.054 -0.243
148 H PHE 23 H PHE 23 -6.413 -1.925 -2.899
149 HA PHE 23 HA PHE 23 -7.910 -4.521 -2.724
150 1HB PHE 23 2HB PHE 23 -9.293 -2.441 -2.757
151 2HB PHE 23 1HB PHE 23 -8.558 -2.010 -4.302
152 HD1 PHE 23 1HD PHE 23 -9.780 -5.277 -2.922
153 HD2 PHE 23 2HD PHE 23 -10.139 -2.300 -5.998
154 HE1 PHE 23 1HE PHE 23 -11.426 -6.702 -4.108
155 HE2 PHE 23 2HE PHE 23 -11.785 -3.725 -7.185
156 HZ PHE 23 HZ PHE 23 -12.428 -5.926 -6.241
Start of MODEL 21
1 1H GLU 1 1HT GLU 1 13.759 14.413 7.860
2 2H GLU 1 2HT GLU 1 14.132 15.984 7.331
3 3H GLU 1 3HT GLU 1 12.939 15.076 6.532
4 HA GLU 1 HA GLU 1 12.564 15.596 9.396
5 1HB GLU 1 2HB GLU 1 12.839 17.575 7.211
6 2HB GLU 1 1HB GLU 1 11.399 17.768 8.210
7 1HG GLU 1 2HG GLU 1 13.355 19.043 9.094
8 2HG GLU 1 1HG GLU 1 12.758 17.835 10.233
9 H ASN 2 H ASN 2 11.118 15.996 6.135
10 HA ASN 2 HA ASN 2 8.475 15.176 7.111
11 1HB ASN 2 2HB ASN 2 9.215 16.879 5.255
12 2HB ASN 2 1HB ASN 2 9.311 15.447 4.231
13 1HD2 ASN 2 1HD2 ASN 2 7.257 17.865 4.667
14 2HD2 ASN 2 2HD2 ASN 2 5.761 17.063 4.594
15 H PHE 3 H PHE 3 7.308 13.404 5.794
16 HA PHE 3 HA PHE 3 9.126 11.037 5.563
17 1HB PHE 3 2HB PHE 3 6.445 11.608 6.620
18 2HB PHE 3 1HB PHE 3 6.497 10.157 5.619
19 HD1 PHE 3 1HD PHE 3 6.823 8.199 6.827
20 HD2 PHE 3 2HD PHE 3 8.790 11.796 8.108
21 HE1 PHE 3 1HE PHE 3 7.895 6.951 8.682
22 HE2 PHE 3 2HE PHE 3 9.862 10.548 9.965
23 HZ PHE 3 HZ PHE 3 9.415 8.126 10.251
24 H ALA 4 H ALA 4 9.504 12.229 3.308
25 HA ALA 4 HA ALA 4 7.483 12.160 1.281
26 1HB ALA 4 1HB ALA 4 9.209 12.982 0.030
27 2HB ALA 4 2HB ALA 4 10.290 11.670 0.497
28 3HB ALA 4 3HB ALA 4 10.061 13.048 1.573
29 H GLY 5 H GLY 5 7.648 10.647 -0.673
30 1HA GLY 5 2HA GLY 5 8.883 8.103 -0.585
31 2HA GLY 5 1HA GLY 5 7.285 7.928 0.140
32 H GLY 6 H GLY 6 6.200 6.833 -1.478
33 1HA GLY 6 2HA GLY 6 5.076 8.202 -3.653
34 2HA GLY 6 1HA GLY 6 6.516 7.403 -4.286
35 H CYS 7 H CYS 7 3.239 6.985 -3.589
36 HA CYS 7 HA CYS 7 3.533 4.007 -3.831
37 1HB CYS 7 2HB CYS 7 1.612 5.699 -2.206
38 2HB CYS 7 1HB CYS 7 1.445 3.958 -2.407
39 H ALA 8 H ALA 8 1.642 2.973 -4.896
40 HA ALA 8 HA ALA 8 0.809 4.400 -7.269
41 1HB ALA 8 1HB ALA 8 0.845 1.749 -6.197
42 2HB ALA 8 2HB ALA 8 0.571 2.243 -7.868
43 3HB ALA 8 3HB ALA 8 -0.792 2.090 -6.759
44 H THR 9 H THR 9 -1.809 3.896 -7.682
45 HA THR 9 HA THR 9 -3.284 5.947 -6.603
46 HB THR 9 HB THR 9 -4.316 4.733 -8.307
47 HG1 THR 9 1HG THR 9 -6.029 3.420 -7.055
48 1HG2 THR 9 1HG2 THR 9 -4.710 2.101 -7.547
49 2HG2 THR 9 2HG2 THR 9 -3.098 2.455 -6.926
50 3HG2 THR 9 3HG2 THR 9 -3.450 2.673 -8.641
51 H GLY 10 H GLY 10 -4.605 2.932 -5.439
52 1HA GLY 10 2HA GLY 10 -4.710 4.082 -2.718
53 2HA GLY 10 1HA GLY 10 -5.605 2.670 -3.277
54 H PHE 11 H PHE 11 -2.112 3.503 -3.150
55 HA PHE 11 HA PHE 11 -1.506 0.785 -2.173
56 1HB PHE 11 2HB PHE 11 -0.332 3.013 -3.692
57 2HB PHE 11 1HB PHE 11 0.771 2.261 -2.586
58 HD1 PHE 11 1HD PHE 11 2.125 0.622 -3.578
59 HD2 PHE 11 2HD PHE 11 -1.926 1.067 -4.920
60 HE1 PHE 11 1HE PHE 11 2.481 -1.182 -5.227
61 HE2 PHE 11 2HE PHE 11 -1.568 -0.743 -6.571
62 HZ PHE 11 HZ PHE 11 0.635 -1.866 -6.730
63 H MET 12 H MET 12 -1.357 0.621 0.080
64 HA MET 12 HA MET 12 -0.836 3.086 1.668
65 1HB MET 12 2HB MET 12 -2.790 1.607 2.121
66 2HB MET 12 1HB MET 12 -1.679 0.282 2.470
67 1HG MET 12 2HG MET 12 -1.333 1.041 4.563
68 2HG MET 12 1HG MET 12 -0.927 2.649 3.961
69 1HE MET 12 1HE MET 12 -3.851 1.357 6.554
70 2HE MET 12 2HE MET 12 -3.071 2.904 6.872
71 3HE MET 12 3HE MET 12 -2.097 1.518 6.389
72 H ARG 13 H ARG 13 1.225 3.450 2.341
73 HA ARG 13 HA ARG 13 3.491 1.899 1.955
74 1HB ARG 13 2HB ARG 13 2.966 4.291 3.014
75 2HB ARG 13 1HB ARG 13 3.187 3.408 4.525
76 1HG ARG 13 2HG ARG 13 5.349 4.223 3.971
77 2HG ARG 13 1HG ARG 13 5.369 2.523 3.496
78 1HD ARG 13 2HD ARG 13 5.939 3.179 1.404
79 2HD ARG 13 1HD ARG 13 4.354 3.968 1.268
80 HE ARG 13 HE ARG 13 5.443 6.027 1.628
81 1HH1 ARG 13 1HH1 ARG 13 7.342 3.370 2.748
82 2HH1 ARG 13 2HH1 ARG 13 8.654 4.365 3.283
83 1HH2 ARG 13 1HH2 ARG 13 7.125 7.339 2.370
84 2HH2 ARG 13 2HH2 ARG 13 8.532 6.610 3.070
85 H THR 14 H THR 14 4.026 -0.120 2.676
86 HA THR 14 HA THR 14 2.589 -1.293 4.982
87 HB THR 14 HB THR 14 4.462 -3.107 3.963
88 HG1 THR 14 1HG THR 14 3.995 -2.824 1.666
89 1HG2 THR 14 1HG2 THR 14 2.512 -4.151 2.936
90 2HG2 THR 14 2HG2 THR 14 1.619 -2.634 3.029
91 3HG2 THR 14 3HG2 THR 14 2.061 -3.488 4.507
92 H ALA 15 H ALA 15 3.663 -2.014 6.871
93 HA ALA 15 HA ALA 15 5.670 -0.528 8.058
94 1HB ALA 15 1HB ALA 15 6.003 -2.559 9.478
95 2HB ALA 15 2HB ALA 15 5.106 -3.502 8.287
96 3HB ALA 15 3HB ALA 15 4.298 -2.216 9.185
97 H ASP 16 H ASP 16 6.070 -3.078 5.671
98 HA ASP 16 HA ASP 16 8.894 -3.528 6.077
99 1HB ASP 16 2HB ASP 16 7.024 -4.866 4.821
100 2HB ASP 16 1HB ASP 16 7.437 -3.825 3.458
101 H GLY 17 H GLY 17 7.222 -0.828 4.937
102 1HA GLY 17 2HA GLY 17 8.197 1.214 4.193
103 2HA GLY 17 1HA GLY 17 9.716 0.358 3.919
104 H ARG 18 H ARG 18 6.467 -0.421 2.685
105 HA ARG 18 HA ARG 18 7.400 0.246 -0.073
106 1HB ARG 18 2HB ARG 18 6.541 -2.413 1.055
107 2HB ARG 18 1HB ARG 18 6.332 -2.063 -0.662
108 1HG ARG 18 2HG ARG 18 8.985 -1.568 0.667
109 2HG ARG 18 1HG ARG 18 8.552 -3.191 0.129
110 1HD ARG 18 2HD ARG 18 7.876 -1.828 -2.098
111 2HD ARG 18 1HD ARG 18 9.164 -0.766 -1.493
112 HE ARG 18 HE ARG 18 10.723 -2.568 -1.732
113 1HH1 ARG 18 1HH1 ARG 18 7.464 -3.649 -1.969
114 2HH1 ARG 18 2HH1 ARG 18 7.868 -5.114 -2.800
115 1HH2 ARG 18 1HH2 ARG 18 11.258 -4.404 -2.959
116 2HH2 ARG 18 2HH2 ARG 18 10.015 -5.542 -3.359
117 H CYS 19 H CYS 19 5.560 0.299 -1.617
118 HA CYS 19 HA CYS 19 3.084 1.292 -0.320
119 1HB CYS 19 2HB CYS 19 4.180 1.297 -3.146
120 2HB CYS 19 1HB CYS 19 2.710 2.128 -2.638
121 H LYS 20 H LYS 20 1.431 -0.178 -0.072
122 HA LYS 20 HA LYS 20 1.164 -2.353 -2.129
123 1HB LYS 20 2HB LYS 20 1.779 -2.616 0.523
124 2HB LYS 20 1HB LYS 20 0.020 -2.739 0.576
125 1HG LYS 20 2HG LYS 20 0.037 -4.784 -0.383
126 2HG LYS 20 1HG LYS 20 1.173 -4.270 -1.631
127 1HD LYS 20 2HD LYS 20 2.888 -4.320 0.404
128 2HD LYS 20 1HD LYS 20 1.721 -5.474 1.051
129 1HE LYS 20 2HE LYS 20 1.863 -6.674 -1.216
130 2HE LYS 20 1HE LYS 20 3.295 -5.673 -1.529
131 1HZ LYS 20 1HZ LYS 20 4.431 -6.574 0.239
132 2HZ LYS 20 2HZ LYS 20 3.557 -7.930 -0.291
133 3HZ LYS 20 3HZ LYS 20 3.024 -7.047 1.059
134 HA PRO 21 HA PRO 21 -2.759 -0.410 -2.718
135 1HB PRO 21 2HB PRO 21 -3.784 -2.270 -4.453
136 2HB PRO 21 1HB PRO 21 -2.686 -0.970 -4.919
137 1HG PRO 21 2HG PRO 21 -2.149 -3.831 -4.533
138 2HG PRO 21 1HG PRO 21 -1.336 -2.677 -5.577
139 1HD PRO 21 2HD PRO 21 -0.368 -3.647 -3.157
140 2HD PRO 21 1HD PRO 21 0.212 -2.199 -3.997
141 H THR 22 H THR 22 -4.570 -0.505 -1.566
142 HA THR 22 HA THR 22 -5.086 -2.601 0.331
143 HB THR 22 HB THR 22 -6.902 -1.170 0.948
144 HG1 THR 22 1HG THR 22 -6.686 0.031 -1.608
145 1HG2 THR 22 1HG2 THR 22 -4.432 -0.207 0.838
146 2HG2 THR 22 2HG2 THR 22 -5.786 0.841 1.267
147 3HG2 THR 22 3HG2 THR 22 -5.141 0.862 -0.374
148 H PHE 23 H PHE 23 -5.352 -4.567 -0.894
149 HA PHE 23 HA PHE 23 -7.896 -4.692 -2.483
150 1HB PHE 23 2HB PHE 23 -5.209 -5.194 -3.215
151 2HB PHE 23 1HB PHE 23 -5.985 -6.774 -3.100
152 HD1 PHE 23 1HD PHE 23 -5.660 -3.746 -5.033
153 HD2 PHE 23 2HD PHE 23 -8.190 -7.145 -4.330
154 HE1 PHE 23 1HE PHE 23 -6.802 -3.344 -7.198
155 HE2 PHE 23 2HE PHE 23 -9.332 -6.744 -6.494
156 HZ PHE 23 HZ PHE 23 -8.638 -4.844 -7.929
Start of MODEL 22
1 1H GLU 1 1HT GLU 1 10.883 21.060 -7.497
2 2H GLU 1 2HT GLU 1 11.823 19.993 -6.566
3 3H GLU 1 3HT GLU 1 10.436 20.711 -5.898
4 HA GLU 1 HA GLU 1 9.379 19.489 -8.046
5 1HB GLU 1 2HB GLU 1 11.952 18.646 -8.041
6 2HB GLU 1 1HB GLU 1 11.240 17.422 -6.988
7 1HG GLU 1 2HG GLU 1 10.591 16.365 -8.877
8 2HG GLU 1 1HG GLU 1 9.396 17.651 -9.057
9 H ASN 2 H ASN 2 7.495 19.084 -6.960
10 HA ASN 2 HA ASN 2 7.463 18.391 -4.118
11 1HB ASN 2 2HB ASN 2 5.798 19.644 -5.912
12 2HB ASN 2 1HB ASN 2 5.018 18.072 -5.739
13 1HD2 ASN 2 1HD2 ASN 2 6.045 20.965 -3.935
14 2HD2 ASN 2 2HD2 ASN 2 5.096 20.651 -2.562
15 H PHE 3 H PHE 3 5.681 16.491 -3.683
16 HA PHE 3 HA PHE 3 5.973 14.169 -5.458
17 1HB PHE 3 2HB PHE 3 8.027 14.711 -3.707
18 2HB PHE 3 1HB PHE 3 7.028 13.610 -2.759
19 HD1 PHE 3 1HD PHE 3 8.219 11.568 -2.820
20 HD2 PHE 3 2HD PHE 3 7.494 13.727 -6.461
21 HE1 PHE 3 1HE PHE 3 9.088 9.650 -4.129
22 HE2 PHE 3 2HE PHE 3 8.363 11.809 -7.772
23 HZ PHE 3 HZ PHE 3 9.160 9.771 -6.605
24 H ALA 4 H ALA 4 3.797 13.634 -5.355
25 HA ALA 4 HA ALA 4 2.148 13.974 -3.010
26 1HB ALA 4 1HB ALA 4 0.594 13.602 -4.608
27 2HB ALA 4 2HB ALA 4 1.198 11.965 -4.863
28 3HB ALA 4 3HB ALA 4 1.905 13.315 -5.750
29 H GLY 5 H GLY 5 3.924 12.788 -1.621
30 1HA GLY 5 2HA GLY 5 4.162 10.957 -0.142
31 2HA GLY 5 1HA GLY 5 2.891 10.119 -1.033
32 H GLY 6 H GLY 6 3.566 8.389 -2.189
33 1HA GLY 6 2HA GLY 6 5.680 8.272 -4.007
34 2HA GLY 6 1HA GLY 6 6.382 7.776 -2.466
35 H CYS 7 H CYS 7 3.083 7.161 -3.625
36 HA CYS 7 HA CYS 7 3.748 4.253 -3.844
37 1HB CYS 7 2HB CYS 7 1.607 5.622 -2.194
38 2HB CYS 7 1HB CYS 7 1.566 3.898 -2.560
39 H ALA 8 H ALA 8 1.534 3.139 -4.668
40 HA ALA 8 HA ALA 8 0.873 4.500 -7.191
41 1HB ALA 8 1HB ALA 8 0.814 2.329 -7.783
42 2HB ALA 8 2HB ALA 8 -0.634 2.127 -6.797
43 3HB ALA 8 3HB ALA 8 0.959 1.844 -6.095
44 H THR 9 H THR 9 -1.711 3.837 -7.682
45 HA THR 9 HA THR 9 -3.335 5.824 -6.731
46 HB THR 9 HB THR 9 -4.217 4.444 -8.403
47 HG1 THR 9 1HG THR 9 -5.755 4.890 -6.704
48 1HG2 THR 9 1HG2 THR 9 -2.984 2.479 -8.373
49 2HG2 THR 9 2HG2 THR 9 -4.540 1.889 -7.788
50 3HG2 THR 9 3HG2 THR 9 -3.238 2.225 -6.647
51 H GLY 10 H GLY 10 -4.593 2.845 -5.443
52 1HA GLY 10 2HA GLY 10 -4.715 4.114 -2.770
53 2HA GLY 10 1HA GLY 10 -5.637 2.698 -3.282
54 H PHE 11 H PHE 11 -2.144 3.505 -3.152
55 HA PHE 11 HA PHE 11 -1.542 0.801 -2.153
56 1HB PHE 11 2HB PHE 11 -0.346 3.054 -3.633
57 2HB PHE 11 1HB PHE 11 0.738 2.245 -2.549
58 HD1 PHE 11 1HD PHE 11 2.046 0.585 -3.571
59 HD2 PHE 11 2HD PHE 11 -1.977 1.202 -4.930
60 HE1 PHE 11 1HE PHE 11 2.356 -1.184 -5.267
61 HE2 PHE 11 2HE PHE 11 -1.665 -0.573 -6.630
62 HZ PHE 11 HZ PHE 11 0.500 -1.764 -6.803
63 H MET 12 H MET 12 -1.393 0.624 0.090
64 HA MET 12 HA MET 12 -0.889 3.083 1.693
65 1HB MET 12 2HB MET 12 -2.828 1.471 2.057
66 2HB MET 12 1HB MET 12 -1.634 0.289 2.598
67 1HG MET 12 2HG MET 12 -1.018 1.593 4.469
68 2HG MET 12 1HG MET 12 -1.739 3.056 3.796
69 1HE MET 12 1HE MET 12 -1.990 -0.287 5.144
70 2HE MET 12 2HE MET 12 -3.607 -0.533 5.799
71 3HE MET 12 3HE MET 12 -2.465 0.502 6.654
72 H ARG 13 H ARG 13 1.153 3.440 2.431
73 HA ARG 13 HA ARG 13 3.425 1.891 1.991
74 1HB ARG 13 2HB ARG 13 2.879 4.277 3.097
75 2HB ARG 13 1HB ARG 13 3.185 3.364 4.576
76 1HG ARG 13 2HG ARG 13 5.350 3.969 4.120
77 2HG ARG 13 1HG ARG 13 5.281 2.519 3.118
78 1HD ARG 13 2HD ARG 13 6.062 4.070 1.558
79 2HD ARG 13 1HD ARG 13 4.311 4.247 1.322
80 HE ARG 13 HE ARG 13 4.547 6.421 2.191
81 1HH1 ARG 13 1HH2 ARG 13 7.563 6.243 2.003
82 2HH1 ARG 13 2HH2 ARG 13 8.033 6.601 3.631
83 1HH2 ARG 13 1HH1 ARG 13 4.874 6.046 4.947
84 2HH2 ARG 13 2HH1 ARG 13 6.510 6.491 5.297
85 H THR 14 H THR 14 4.165 -0.022 2.825
86 HA THR 14 HA THR 14 2.678 -1.238 5.103
87 HB THR 14 HB THR 14 4.739 -2.827 3.760
88 HG1 THR 14 1HG THR 14 4.329 -1.666 1.960
89 1HG2 THR 14 1HG2 THR 14 2.791 -4.328 3.411
90 2HG2 THR 14 2HG2 THR 14 1.728 -3.060 4.022
91 3HG2 THR 14 3HG2 THR 14 2.927 -3.796 5.087
92 H ALA 15 H ALA 15 3.759 -1.837 7.009
93 HA ALA 15 HA ALA 15 5.831 -0.381 8.092
94 1HB ALA 15 1HB ALA 15 5.378 -3.355 8.474
95 2HB ALA 15 2HB ALA 15 4.362 -2.102 9.184
96 3HB ALA 15 3HB ALA 15 6.055 -2.235 9.656
97 H ASP 16 H ASP 16 6.127 -3.009 5.778
98 HA ASP 16 HA ASP 16 8.947 -3.518 6.147
99 1HB ASP 16 2HB ASP 16 7.210 -4.980 5.036
100 2HB ASP 16 1HB ASP 16 7.220 -3.857 3.675
101 H GLY 17 H GLY 17 7.256 -0.871 4.828
102 1HA GLY 17 2HA GLY 17 8.286 1.151 4.059
103 2HA GLY 17 1HA GLY 17 9.780 0.252 3.777
104 H ARG 18 H ARG 18 6.479 -0.483 2.655
105 HA ARG 18 HA ARG 18 7.369 0.040 -0.149
106 1HB ARG 18 2HB ARG 18 6.223 -2.529 0.984
107 2HB ARG 18 1HB ARG 18 6.450 -2.221 -0.737
108 1HG ARG 18 2HG ARG 18 8.845 -2.008 -0.449
109 2HG ARG 18 1HG ARG 18 8.685 -2.090 1.305
110 1HD ARG 18 2HD ARG 18 9.093 -4.325 1.015
111 2HD ARG 18 1HD ARG 18 7.396 -4.400 0.500
112 HE ARG 18 HE ARG 18 8.684 -3.599 -1.794
113 1HH1 ARG 18 1HH1 ARG 18 8.120 -6.441 -0.111
114 2HH1 ARG 18 2HH1 ARG 18 9.260 -7.402 -0.994
115 1HH2 ARG 18 1HH2 ARG 18 10.624 -4.706 -2.693
116 2HH2 ARG 18 2HH2 ARG 18 10.677 -6.420 -2.451
117 H CYS 19 H CYS 19 5.548 0.218 -1.643
118 HA CYS 19 HA CYS 19 3.087 1.241 -0.350
119 1HB CYS 19 2HB CYS 19 4.178 1.215 -3.179
120 2HB CYS 19 1HB CYS 19 2.718 2.066 -2.675
121 H LYS 20 H LYS 20 1.416 -0.208 -0.090
122 HA LYS 20 HA LYS 20 1.112 -2.371 -2.151
123 1HB LYS 20 2HB LYS 20 1.846 -2.790 0.366
124 2HB LYS 20 1HB LYS 20 0.115 -2.622 0.667
125 1HG LYS 20 2HG LYS 20 -0.053 -4.285 -1.401
126 2HG LYS 20 1HG LYS 20 1.575 -4.722 -0.883
127 1HD LYS 20 2HD LYS 20 -0.505 -4.502 1.239
128 2HD LYS 20 1HD LYS 20 -0.608 -5.890 0.155
129 1HE LYS 20 2HE LYS 20 1.829 -6.360 0.643
130 2HE LYS 20 1HE LYS 20 1.752 -5.100 1.891
131 1HZ LYS 20 1HZ LYS 20 0.303 -7.660 1.757
132 2HZ LYS 20 2HZ LYS 20 -0.385 -6.350 2.590
133 3HZ LYS 20 3HZ LYS 20 1.124 -6.965 3.068
134 HA PRO 21 HA PRO 21 -2.798 -0.386 -2.684
135 1HB PRO 21 2HB PRO 21 -3.837 -2.195 -4.461
136 2HB PRO 21 1HB PRO 21 -2.729 -0.893 -4.897
137 1HG PRO 21 2HG PRO 21 -2.217 -3.766 -4.588
138 2HG PRO 21 1HG PRO 21 -1.391 -2.589 -5.595
139 1HD PRO 21 2HD PRO 21 -0.445 -3.638 -3.195
140 2HD PRO 21 1HD PRO 21 0.162 -2.183 -4.006
141 H THR 22 H THR 22 -4.748 -0.545 -1.737
142 HA THR 22 HA THR 22 -5.241 -2.617 0.211
143 HB THR 22 HB THR 22 -7.102 -1.216 0.758
144 HG1 THR 22 1HG THR 22 -6.903 0.116 -1.709
145 1HG2 THR 22 1HG2 THR 22 -5.345 0.819 -0.582
146 2HG2 THR 22 2HG2 THR 22 -4.673 -0.178 0.709
147 3HG2 THR 22 3HG2 THR 22 -6.065 0.856 1.028
148 H PHE 23 H PHE 23 -6.354 -2.012 -3.080
149 HA PHE 23 HA PHE 23 -8.234 -4.330 -2.889
150 1HB PHE 23 2HB PHE 23 -7.973 -1.839 -4.521
151 2HB PHE 23 1HB PHE 23 -8.743 -3.231 -5.282
152 HD1 PHE 23 1HD PHE 23 -11.024 -2.558 -5.338
153 HD2 PHE 23 2HD PHE 23 -8.800 -2.330 -1.671
154 HE1 PHE 23 1HE PHE 23 -13.119 -2.081 -4.099
155 HE2 PHE 23 2HE PHE 23 -10.894 -1.852 -0.430
156 HZ PHE 23 HZ PHE 23 -13.054 -1.728 -1.645
Start of MODEL 23
1 1H GLU 1 1HT GLU 1 0.485 16.733 -6.013
2 2H GLU 1 2HT GLU 1 -0.068 16.956 -4.422
3 3H GLU 1 3HT GLU 1 0.366 15.406 -4.964
4 HA GLU 1 HA GLU 1 2.497 17.326 -5.248
5 1HB GLU 1 2HB GLU 1 0.881 17.104 -2.795
6 2HB GLU 1 1HB GLU 1 2.609 16.866 -2.531
7 1HG GLU 1 2HG GLU 1 1.922 19.113 -4.323
8 2HG GLU 1 1HG GLU 1 1.416 19.318 -2.647
9 H ASN 2 H ASN 2 3.488 15.532 -6.315
10 HA ASN 2 HA ASN 2 3.935 13.096 -4.624
11 1HB ASN 2 2HB ASN 2 3.602 13.653 -7.553
12 2HB ASN 2 1HB ASN 2 4.563 12.256 -7.065
13 1HD2 ASN 2 1HD2 ASN 2 1.307 13.709 -6.779
14 2HD2 ASN 2 2HD2 ASN 2 0.519 12.259 -6.380
15 H PHE 3 H PHE 3 5.940 13.176 -3.689
16 HA PHE 3 HA PHE 3 8.350 13.366 -5.250
17 1HB PHE 3 2HB PHE 3 7.235 15.772 -5.044
18 2HB PHE 3 1HB PHE 3 8.014 15.749 -3.462
19 HD1 PHE 3 1HD PHE 3 10.441 15.715 -3.243
20 HD2 PHE 3 2HD PHE 3 8.565 15.700 -7.108
21 HE1 PHE 3 1HE PHE 3 12.618 16.254 -4.302
22 HE2 PHE 3 2HE PHE 3 10.741 16.241 -8.167
23 HZ PHE 3 HZ PHE 3 12.768 16.516 -6.764
24 H ALA 4 H ALA 4 10.254 13.070 -3.891
25 HA ALA 4 HA ALA 4 11.334 12.066 -2.037
26 1HB ALA 4 1HB ALA 4 11.234 13.508 -0.238
27 2HB ALA 4 2HB ALA 4 9.471 13.557 -0.246
28 3HB ALA 4 3HB ALA 4 10.386 14.509 -1.417
29 H GLY 5 H GLY 5 9.947 10.073 -2.800
30 1HA GLY 5 2HA GLY 5 9.100 8.079 -1.753
31 2HA GLY 5 1HA GLY 5 8.524 9.063 -0.404
32 H GLY 6 H GLY 6 7.251 7.137 -2.559
33 1HA GLY 6 2HA GLY 6 4.698 8.529 -2.610
34 2HA GLY 6 1HA GLY 6 5.444 8.442 -4.207
35 H CYS 7 H CYS 7 3.085 7.154 -3.972
36 HA CYS 7 HA CYS 7 3.893 4.282 -4.082
37 1HB CYS 7 2HB CYS 7 1.656 5.544 -2.473
38 2HB CYS 7 1HB CYS 7 1.756 3.811 -2.788
39 H ALA 8 H ALA 8 1.355 3.234 -4.595
40 HA ALA 8 HA ALA 8 0.785 4.410 -7.266
41 1HB ALA 8 1HB ALA 8 0.922 1.800 -6.083
42 2HB ALA 8 2HB ALA 8 0.711 2.220 -7.781
43 3HB ALA 8 3HB ALA 8 -0.698 2.039 -6.738
44 H THR 9 H THR 9 -1.800 3.749 -7.706
45 HA THR 9 HA THR 9 -3.409 5.754 -6.760
46 HB THR 9 HB THR 9 -4.313 4.359 -8.406
47 HG1 THR 9 1HG THR 9 -6.220 3.952 -7.582
48 1HG2 THR 9 1HG2 THR 9 -3.239 2.348 -8.477
49 2HG2 THR 9 2HG2 THR 9 -4.645 1.792 -7.569
50 3HG2 THR 9 3HG2 THR 9 -3.158 2.216 -6.721
51 H GLY 10 H GLY 10 -4.620 2.774 -5.413
52 1HA GLY 10 2HA GLY 10 -4.726 4.086 -2.759
53 2HA GLY 10 1HA GLY 10 -5.646 2.659 -3.240
54 H PHE 11 H PHE 11 -2.157 3.481 -3.161
55 HA PHE 11 HA PHE 11 -1.529 0.797 -2.115
56 1HB PHE 11 2HB PHE 11 -0.378 3.015 -3.672
57 2HB PHE 11 1HB PHE 11 0.735 2.272 -2.568
58 HD1 PHE 11 1HD PHE 11 -1.973 1.077 -4.890
59 HD2 PHE 11 2HD PHE 11 2.076 0.612 -3.544
60 HE1 PHE 11 1HE PHE 11 -1.618 -0.725 -6.552
61 HE2 PHE 11 2HE PHE 11 2.423 -1.194 -5.193
62 HZ PHE 11 HZ PHE 11 0.579 -1.860 -6.706
63 H MET 12 H MET 12 -1.415 0.698 0.144
64 HA MET 12 HA MET 12 -0.820 3.188 1.669
65 1HB MET 12 2HB MET 12 -2.749 1.365 1.971
66 2HB MET 12 1HB MET 12 -1.501 0.552 2.915
67 1HG MET 12 2HG MET 12 -2.072 1.891 4.639
68 2HG MET 12 1HG MET 12 -1.366 3.228 3.730
69 1HE MET 12 1HE MET 12 -5.201 3.476 5.413
70 2HE MET 12 2HE MET 12 -3.617 4.193 5.695
71 3HE MET 12 3HE MET 12 -3.817 2.446 5.804
72 H ARG 13 H ARG 13 1.240 3.488 2.406
73 HA ARG 13 HA ARG 13 3.467 1.891 1.991
74 1HB ARG 13 2HB ARG 13 2.722 4.183 3.485
75 2HB ARG 13 1HB ARG 13 3.612 3.137 4.593
76 1HG ARG 13 2HG ARG 13 5.246 4.511 3.503
77 2HG ARG 13 1HG ARG 13 5.375 2.910 2.771
78 1HD ARG 13 2HD ARG 13 5.058 3.905 0.759
79 2HD ARG 13 1HD ARG 13 3.400 4.270 1.276
80 HE ARG 13 HE ARG 13 5.648 6.085 2.041
81 1HH1 ARG 13 1HH2 ARG 13 2.478 6.145 2.437
82 2HH1 ARG 13 2HH2 ARG 13 2.117 7.492 1.412
83 1HH2 ARG 13 1HH1 ARG 13 5.243 7.530 -0.088
84 2HH2 ARG 13 2HH1 ARG 13 3.682 8.278 -0.018
85 H THR 14 H THR 14 4.176 -0.050 2.812
86 HA THR 14 HA THR 14 2.594 -1.299 5.008
87 HB THR 14 HB THR 14 3.799 -3.355 4.138
88 HG1 THR 14 1HG THR 14 4.997 -3.123 2.294
89 1HG2 THR 14 1HG2 THR 14 2.416 -1.850 1.918
90 2HG2 THR 14 2HG2 THR 14 1.535 -2.449 3.323
91 3HG2 THR 14 3HG2 THR 14 2.371 -3.580 2.260
92 H ALA 15 H ALA 15 3.655 -2.148 6.864
93 HA ALA 15 HA ALA 15 5.663 -0.751 8.139
94 1HB ALA 15 1HB ALA 15 4.942 -2.307 9.613
95 2HB ALA 15 2HB ALA 15 6.056 -3.445 8.852
96 3HB ALA 15 3HB ALA 15 4.381 -3.352 8.306
97 H ASP 16 H ASP 16 6.075 -3.167 5.616
98 HA ASP 16 HA ASP 16 8.903 -3.619 5.992
99 1HB ASP 16 2HB ASP 16 6.808 -4.617 4.467
100 2HB ASP 16 1HB ASP 16 7.840 -3.843 3.265
101 H GLY 17 H GLY 17 7.191 -0.890 4.966
102 1HA GLY 17 2HA GLY 17 8.115 1.200 4.303
103 2HA GLY 17 1HA GLY 17 9.665 0.399 4.037
104 H ARG 18 H ARG 18 6.456 -0.412 2.725
105 HA ARG 18 HA ARG 18 7.442 0.308 -0.002
106 1HB ARG 18 2HB ARG 18 6.462 -2.373 1.006
107 2HB ARG 18 1HB ARG 18 6.569 -1.982 -0.711
108 1HG ARG 18 2HG ARG 18 8.935 -1.696 -0.601
109 2HG ARG 18 1HG ARG 18 8.921 -1.672 1.163
110 1HD ARG 18 2HD ARG 18 9.703 -3.871 0.227
111 2HD ARG 18 1HD ARG 18 8.236 -4.038 1.214
112 HE ARG 18 HE ARG 18 6.931 -4.232 -0.830
113 1HH1 ARG 18 1HH2 ARG 18 9.769 -5.728 -1.097
114 2HH1 ARG 18 2HH2 ARG 18 10.002 -5.508 -2.799
115 1HH2 ARG 18 1HH1 ARG 18 7.462 -3.166 -3.111
116 2HH2 ARG 18 2HH1 ARG 18 8.695 -4.056 -3.940
117 H CYS 19 H CYS 19 5.660 0.384 -1.593
118 HA CYS 19 HA CYS 19 3.146 1.370 -0.401
119 1HB CYS 19 2HB CYS 19 4.247 1.196 -3.221
120 2HB CYS 19 1HB CYS 19 2.807 2.099 -2.746
121 H LYS 20 H LYS 20 1.371 0.039 -0.239
122 HA LYS 20 HA LYS 20 1.162 -2.291 -2.119
123 1HB LYS 20 2HB LYS 20 1.929 -3.122 0.003
124 2HB LYS 20 1HB LYS 20 0.777 -2.117 0.882
125 1HG LYS 20 2HG LYS 20 -1.057 -3.403 -0.376
126 2HG LYS 20 1HG LYS 20 0.209 -4.547 -0.821
127 1HD LYS 20 2HD LYS 20 -0.569 -5.505 1.151
128 2HD LYS 20 1HD LYS 20 0.738 -4.494 1.768
129 1HE LYS 20 2HE LYS 20 -1.080 -3.952 3.187
130 2HE LYS 20 1HE LYS 20 -1.124 -2.655 1.977
131 1HZ LYS 20 1HZ LYS 20 -3.212 -4.229 2.498
132 2HZ LYS 20 2HZ LYS 20 -2.480 -5.120 1.251
133 3HZ LYS 20 3HZ LYS 20 -2.945 -3.507 0.986
134 HA PRO 21 HA PRO 21 -2.793 -0.397 -2.683
135 1HB PRO 21 2HB PRO 21 -3.812 -2.281 -4.393
136 2HB PRO 21 1HB PRO 21 -2.727 -0.977 -4.882
137 1HG PRO 21 2HG PRO 21 -2.170 -3.831 -4.488
138 2HG PRO 21 1HG PRO 21 -1.363 -2.672 -5.532
139 1HD PRO 21 2HD PRO 21 -0.407 -3.637 -3.095
140 2HD PRO 21 1HD PRO 21 0.196 -2.215 -3.961
141 H THR 22 H THR 22 -4.598 -0.524 -1.514
142 HA THR 22 HA THR 22 -5.047 -2.698 0.346
143 HB THR 22 HB THR 22 -6.753 -1.241 1.152
144 HG1 THR 22 1HG THR 22 -6.717 -0.018 -1.408
145 1HG2 THR 22 1HG2 THR 22 -4.284 -0.305 0.889
146 2HG2 THR 22 2HG2 THR 22 -5.583 0.747 1.453
147 3HG2 THR 22 3HG2 THR 22 -5.060 0.814 -0.230
148 H PHE 23 H PHE 23 -5.419 -4.576 -1.005
149 HA PHE 23 HA PHE 23 -7.892 -4.500 -2.689
150 1HB PHE 23 2HB PHE 23 -5.251 -5.676 -2.865
151 2HB PHE 23 1HB PHE 23 -6.484 -6.930 -2.994
152 HD1 PHE 23 1HD PHE 23 -8.317 -6.699 -4.709
153 HD2 PHE 23 2HD PHE 23 -4.901 -4.097 -4.619
154 HE1 PHE 23 1HE PHE 23 -8.795 -5.990 -7.037
155 HE2 PHE 23 2HE PHE 23 -5.380 -3.388 -6.947
156 HZ PHE 23 HZ PHE 23 -7.326 -4.335 -8.155
Start of MODEL 24
1 1H GLU 1 1HT GLU 1 1.720 21.022 4.763
2 2H GLU 1 2HT GLU 1 3.197 21.858 4.688
3 3H GLU 1 3HT GLU 1 3.105 20.362 5.488
4 HA GLU 1 HA GLU 1 2.283 19.553 3.124
5 1HB GLU 1 2HB GLU 1 3.148 22.290 2.860
6 2HB GLU 1 1HB GLU 1 4.203 21.251 1.900
7 1HG GLU 1 2HG GLU 1 2.593 20.998 0.351
8 2HG GLU 1 1HG GLU 1 1.487 20.372 1.574
9 H ASN 2 H ASN 2 3.526 17.728 3.062
10 HA ASN 2 HA ASN 2 6.414 17.949 3.848
11 1HB ASN 2 2HB ASN 2 6.048 15.503 4.464
12 2HB ASN 2 1HB ASN 2 5.131 16.658 5.431
13 1HD2 ASN 2 1HD2 ASN 2 2.812 16.717 5.164
14 2HD2 ASN 2 2HD2 ASN 2 1.978 15.560 4.244
15 H PHE 3 H PHE 3 7.841 16.349 2.714
16 HA PHE 3 HA PHE 3 6.809 15.616 -0.007
17 1HB PHE 3 2HB PHE 3 9.048 17.317 0.896
18 2HB PHE 3 1HB PHE 3 9.481 16.153 -0.356
19 HD1 PHE 3 1HD PHE 3 8.957 16.589 -2.606
20 HD2 PHE 3 2HD PHE 3 6.897 18.722 0.503
21 HE1 PHE 3 1HE PHE 3 7.856 18.015 -4.312
22 HE2 PHE 3 2HE PHE 3 5.796 20.145 -1.203
23 HZ PHE 3 HZ PHE 3 6.275 19.792 -3.610
24 H ALA 4 H ALA 4 6.533 13.431 0.960
25 HA ALA 4 HA ALA 4 8.938 11.795 0.628
26 1HB ALA 4 1HB ALA 4 8.400 10.939 3.115
27 2HB ALA 4 2HB ALA 4 7.835 12.601 3.285
28 3HB ALA 4 3HB ALA 4 9.506 12.281 2.817
29 H GLY 5 H GLY 5 7.291 10.997 -0.979
30 1HA GLY 5 2HA GLY 5 5.800 8.740 0.155
31 2HA GLY 5 1HA GLY 5 4.789 9.974 -0.599
32 H GLY 6 H GLY 6 5.487 7.123 -1.396
33 1HA GLY 6 2HA GLY 6 5.850 7.712 -4.249
34 2HA GLY 6 1HA GLY 6 7.147 6.758 -3.528
35 H CYS 7 H CYS 7 3.565 6.804 -3.607
36 HA CYS 7 HA CYS 7 3.660 3.816 -3.882
37 1HB CYS 7 2HB CYS 7 1.780 5.608 -2.314
38 2HB CYS 7 1HB CYS 7 1.555 3.873 -2.510
39 H ALA 8 H ALA 8 1.358 3.060 -4.694
40 HA ALA 8 HA ALA 8 0.788 4.580 -7.164
41 1HB ALA 8 1HB ALA 8 -0.852 2.275 -6.843
42 2HB ALA 8 2HB ALA 8 0.755 1.865 -6.244
43 3HB ALA 8 3HB ALA 8 0.553 2.462 -7.890
44 H THR 9 H THR 9 -1.849 4.102 -7.618
45 HA THR 9 HA THR 9 -3.313 6.120 -6.470
46 HB THR 9 HB THR 9 -4.344 4.950 -8.210
47 HG1 THR 9 1HG THR 9 -5.786 5.322 -6.409
48 1HG2 THR 9 1HG2 THR 9 -3.327 2.565 -6.753
49 2HG2 THR 9 2HG2 THR 9 -3.330 2.910 -8.483
50 3HG2 THR 9 3HG2 THR 9 -4.803 2.345 -7.693
51 H GLY 10 H GLY 10 -4.672 3.096 -5.384
52 1HA GLY 10 2HA GLY 10 -4.722 4.160 -2.628
53 2HA GLY 10 1HA GLY 10 -5.659 2.791 -3.222
54 H PHE 11 H PHE 11 -2.148 3.538 -3.111
55 HA PHE 11 HA PHE 11 -1.587 0.773 -2.247
56 1HB PHE 11 2HB PHE 11 -0.378 3.034 -3.685
57 2HB PHE 11 1HB PHE 11 0.716 2.228 -2.610
58 HD1 PHE 11 1HD PHE 11 2.002 0.517 -3.577
59 HD2 PHE 11 2HD PHE 11 -1.957 1.252 -5.064
60 HE1 PHE 11 1HE PHE 11 2.333 -1.220 -5.303
61 HE2 PHE 11 2HE PHE 11 -1.627 -0.494 -6.787
62 HZ PHE 11 HZ PHE 11 0.519 -1.728 -6.912
63 H MET 12 H MET 12 -1.268 0.477 -0.027
64 HA MET 12 HA MET 12 -0.802 2.875 1.674
65 1HB MET 12 2HB MET 12 -2.633 1.500 2.345
66 2HB MET 12 1HB MET 12 -1.695 0.021 2.127
67 1HG MET 12 2HG MET 12 -0.678 0.216 4.155
68 2HG MET 12 1HG MET 12 -0.525 1.967 4.019
69 1HE MET 12 1HE MET 12 -3.915 -0.284 3.759
70 2HE MET 12 2HE MET 12 -4.037 -0.531 5.499
71 3HE MET 12 3HE MET 12 -2.580 -1.035 4.645
72 H ARG 13 H ARG 13 1.100 3.140 2.821
73 HA ARG 13 HA ARG 13 3.453 1.664 2.044
74 1HB ARG 13 2HB ARG 13 3.049 4.100 2.949
75 2HB ARG 13 1HB ARG 13 3.219 3.340 4.531
76 1HG ARG 13 2HG ARG 13 5.408 4.096 3.873
77 2HG ARG 13 1HG ARG 13 5.396 2.339 3.710
78 1HD ARG 13 2HD ARG 13 5.746 2.462 1.468
79 2HD ARG 13 1HD ARG 13 4.485 3.695 1.272
80 HE ARG 13 HE ARG 13 6.124 5.403 1.767
81 1HH1 ARG 13 1HH1 ARG 13 7.740 3.831 3.765
82 2HH1 ARG 13 2HH1 ARG 13 9.220 3.578 2.901
83 1HH2 ARG 13 1HH2 ARG 13 7.862 4.370 -0.189
84 2HH2 ARG 13 2HH2 ARG 13 9.289 3.883 0.663
85 H THR 14 H THR 14 4.104 -0.290 2.851
86 HA THR 14 HA THR 14 2.792 -1.389 5.265
87 HB THR 14 HB THR 14 4.409 -3.337 4.467
88 HG1 THR 14 1HG THR 14 5.596 -2.571 2.905
89 1HG2 THR 14 1HG2 THR 14 2.152 -3.782 4.190
90 2HG2 THR 14 2HG2 THR 14 2.660 -3.680 2.504
91 3HG2 THR 14 3HG2 THR 14 1.867 -2.304 3.272
92 H ALA 15 H ALA 15 3.944 -1.916 7.172
93 HA ALA 15 HA ALA 15 5.894 -0.285 8.217
94 1HB ALA 15 1HB ALA 15 6.044 -3.235 8.746
95 2HB ALA 15 2HB ALA 15 4.544 -2.380 9.106
96 3HB ALA 15 3HB ALA 15 6.045 -1.897 9.896
97 H ASP 16 H ASP 16 6.411 -2.922 5.942
98 HA ASP 16 HA ASP 16 9.273 -3.132 6.275
99 1HB ASP 16 2HB ASP 16 7.380 -3.777 3.991
100 2HB ASP 16 1HB ASP 16 9.058 -4.313 4.070
101 H GLY 17 H GLY 17 7.278 -0.744 4.844
102 1HA GLY 17 2HA GLY 17 8.112 1.364 4.038
103 2HA GLY 17 1HA GLY 17 9.672 0.600 3.727
104 H ARG 18 H ARG 18 6.456 -0.547 2.731
105 HA ARG 18 HA ARG 18 7.259 -0.044 -0.115
106 1HB ARG 18 2HB ARG 18 6.088 -2.573 1.081
107 2HB ARG 18 1HB ARG 18 6.465 -2.326 -0.623
108 1HG ARG 18 2HG ARG 18 8.544 -2.027 1.552
109 2HG ARG 18 1HG ARG 18 8.240 -3.563 0.739
110 1HD ARG 18 2HD ARG 18 9.113 -2.823 -1.281
111 2HD ARG 18 1HD ARG 18 8.689 -1.129 -0.960
112 HE ARG 18 HE ARG 18 10.499 -1.347 0.919
113 1HH1 ARG 18 1HH2 ARG 18 11.012 -4.165 -0.398
114 2HH1 ARG 18 2HH2 ARG 18 12.498 -3.821 -1.219
115 1HH2 ARG 18 1HH1 ARG 18 12.203 -0.384 -0.876
116 2HH2 ARG 18 2HH1 ARG 18 13.171 -1.682 -1.491
117 H CYS 19 H CYS 19 5.458 0.115 -1.581
118 HA CYS 19 HA CYS 19 2.967 1.115 -0.325
119 1HB CYS 19 2HB CYS 19 4.068 1.092 -3.148
120 2HB CYS 19 1HB CYS 19 2.653 1.999 -2.611
121 H LYS 20 H LYS 20 1.181 -0.210 -0.242
122 HA LYS 20 HA LYS 20 0.967 -2.435 -2.247
123 1HB LYS 20 2HB LYS 20 1.305 -2.504 0.587
124 2HB LYS 20 1HB LYS 20 -0.333 -3.057 0.237
125 1HG LYS 20 2HG LYS 20 1.504 -4.194 -1.674
126 2HG LYS 20 1HG LYS 20 2.065 -4.530 -0.037
127 1HD LYS 20 2HD LYS 20 -0.411 -5.178 0.436
128 2HD LYS 20 1HD LYS 20 -0.553 -5.286 -1.319
129 1HE LYS 20 2HE LYS 20 1.738 -6.674 0.058
130 2HE LYS 20 1HE LYS 20 0.136 -7.438 0.021
131 1HZ LYS 20 1HZ LYS 20 0.969 -8.119 -1.987
132 2HZ LYS 20 2HZ LYS 20 1.902 -6.718 -2.213
133 3HZ LYS 20 3HZ LYS 20 0.221 -6.671 -2.458
134 HA PRO 21 HA PRO 21 -2.894 -0.374 -2.876
135 1HB PRO 21 2HB PRO 21 -3.897 -2.130 -4.729
136 2HB PRO 21 1HB PRO 21 -2.755 -0.836 -5.097
137 1HG PRO 21 2HG PRO 21 -2.294 -3.724 -4.830
138 2HG PRO 21 1HG PRO 21 -1.420 -2.539 -5.789
139 1HD PRO 21 2HD PRO 21 -0.564 -3.646 -3.382
140 2HD PRO 21 1HD PRO 21 0.085 -2.183 -4.141
141 H THR 22 H THR 22 -4.800 -0.502 -1.873
142 HA THR 22 HA THR 22 -5.411 -2.719 -0.106
143 HB THR 22 HB THR 22 -7.122 -1.233 0.642
144 HG1 THR 22 1HG THR 22 -6.881 0.057 -1.873
145 1HG2 THR 22 1HG2 THR 22 -4.524 -0.294 0.194
146 2HG2 THR 22 2HG2 THR 22 -5.717 0.418 1.280
147 3HG2 THR 22 3HG2 THR 22 -5.564 1.011 -0.373
148 H PHE 23 H PHE 23 -6.008 -4.605 -1.212
149 HA PHE 23 HA PHE 23 -7.648 -4.623 -3.599
150 1HB PHE 23 2HB PHE 23 -6.846 -6.699 -1.540
151 2HB PHE 23 1HB PHE 23 -7.719 -7.095 -3.020
152 HD1 PHE 23 1HD PHE 23 -4.507 -6.645 -1.569
153 HD2 PHE 23 2HD PHE 23 -6.672 -6.181 -5.249
154 HE1 PHE 23 1HE PHE 23 -2.370 -6.655 -2.828
155 HE2 PHE 23 2HE PHE 23 -4.534 -6.190 -6.508
156 HZ PHE 23 HZ PHE 23 -2.383 -6.426 -5.297
Start of MODEL 25
1 1H GLU 1 1HT GLU 1 4.168 13.825 1.770
2 2H GLU 1 2HT GLU 1 3.871 13.136 0.245
3 3H GLU 1 3HT GLU 1 2.651 13.150 1.427
4 HA GLU 1 HA GLU 1 3.030 15.739 1.306
5 1HB GLU 1 2HB GLU 1 4.531 14.493 -0.869
6 2HB GLU 1 1HB GLU 1 3.384 15.694 -1.464
7 1HG GLU 1 2HG GLU 1 4.392 17.042 0.651
8 2HG GLU 1 1HG GLU 1 5.795 16.058 0.233
9 H ASN 2 H ASN 2 0.804 14.710 1.827
10 HA ASN 2 HA ASN 2 -1.487 14.550 1.268
11 1HB ASN 2 2HB ASN 2 -0.759 16.743 0.191
12 2HB ASN 2 1HB ASN 2 -0.588 15.847 -1.318
13 1HD2 ASN 2 1HD2 ASN 2 -2.389 16.822 -2.424
14 2HD2 ASN 2 2HD2 ASN 2 -3.995 16.613 -1.914
15 H PHE 3 H PHE 3 -1.522 12.241 1.064
16 HA PHE 3 HA PHE 3 -1.641 10.168 -0.083
17 1HB PHE 3 2HB PHE 3 -3.261 12.220 -1.216
18 2HB PHE 3 1HB PHE 3 -2.643 11.248 -2.550
19 HD1 PHE 3 1HD PHE 3 -3.415 10.228 0.959
20 HD2 PHE 3 2HD PHE 3 -4.454 9.881 -3.193
21 HE1 PHE 3 1HE PHE 3 -5.035 8.434 1.514
22 HE2 PHE 3 2HE PHE 3 -6.072 8.087 -2.639
23 HZ PHE 3 HZ PHE 3 -6.364 7.363 -0.284
24 H ALA 4 H ALA 4 -1.269 9.346 -2.615
25 HA ALA 4 HA ALA 4 0.528 8.733 -4.042
26 1HB ALA 4 1HB ALA 4 0.802 11.748 -4.138
27 2HB ALA 4 2HB ALA 4 -0.535 10.884 -4.896
28 3HB ALA 4 3HB ALA 4 1.119 10.601 -5.439
29 H GLY 5 H GLY 5 1.356 8.672 -1.327
30 1HA GLY 5 2HA GLY 5 3.797 10.218 -0.981
31 2HA GLY 5 1HA GLY 5 3.263 8.889 0.050
32 H GLY 6 H GLY 6 4.411 9.360 -3.313
33 1HA GLY 6 2HA GLY 6 5.960 8.114 -4.561
34 2HA GLY 6 1HA GLY 6 6.649 7.601 -3.019
35 H CYS 7 H CYS 7 3.278 7.026 -3.672
36 HA CYS 7 HA CYS 7 3.888 4.119 -4.109
37 1HB CYS 7 2HB CYS 7 1.792 5.501 -2.406
38 2HB CYS 7 1HB CYS 7 1.809 3.765 -2.716
39 H ALA 8 H ALA 8 1.395 3.171 -4.649
40 HA ALA 8 HA ALA 8 0.749 4.504 -7.217
41 1HB ALA 8 1HB ALA 8 0.590 2.340 -7.816
42 2HB ALA 8 2HB ALA 8 -0.802 2.169 -6.747
43 3HB ALA 8 3HB ALA 8 0.822 1.845 -6.140
44 H THR 9 H THR 9 -1.861 3.978 -7.616
45 HA THR 9 HA THR 9 -3.357 5.992 -6.499
46 HB THR 9 HB THR 9 -4.351 4.773 -8.230
47 HG1 THR 9 1HG THR 9 -6.261 4.360 -7.403
48 1HG2 THR 9 1HG2 THR 9 -3.460 2.381 -6.650
49 2HG2 THR 9 2HG2 THR 9 -3.179 2.763 -8.348
50 3HG2 THR 9 3HG2 THR 9 -4.767 2.207 -7.821
51 H GLY 10 H GLY 10 -4.720 2.995 -5.375
52 1HA GLY 10 2HA GLY 10 -4.794 4.093 -2.640
53 2HA GLY 10 1HA GLY 10 -5.687 2.683 -3.213
54 H PHE 11 H PHE 11 -2.200 3.529 -3.106
55 HA PHE 11 HA PHE 11 -1.570 0.807 -2.162
56 1HB PHE 11 2HB PHE 11 -0.430 3.054 -3.676
57 2HB PHE 11 1HB PHE 11 0.695 2.286 -2.602
58 HD1 PHE 11 1HD PHE 11 -2.048 1.152 -4.914
59 HD2 PHE 11 2HD PHE 11 2.013 0.630 -3.620
60 HE1 PHE 11 1HE PHE 11 -1.729 -0.629 -6.604
61 HE2 PHE 11 2HE PHE 11 2.322 -1.157 -5.298
62 HZ PHE 11 HZ PHE 11 0.454 -1.784 -6.798
63 H MET 12 H MET 12 -1.418 0.623 0.083
64 HA MET 12 HA MET 12 -0.834 3.061 1.692
65 1HB MET 12 2HB MET 12 -2.495 0.752 1.901
66 2HB MET 12 1HB MET 12 -1.335 0.683 3.227
67 1HG MET 12 2HG MET 12 -2.382 3.379 2.829
68 2HG MET 12 1HG MET 12 -3.660 2.214 3.174
69 1HE MET 12 1HE MET 12 0.242 2.263 4.663
70 2HE MET 12 2HE MET 12 -0.185 3.654 5.657
71 3HE MET 12 3HE MET 12 -0.439 3.715 3.915
72 H ARG 13 H ARG 13 1.235 3.376 2.376
73 HA ARG 13 HA ARG 13 3.468 1.805 1.890
74 1HB ARG 13 2HB ARG 13 2.885 4.150 3.178
75 2HB ARG 13 1HB ARG 13 3.424 3.145 4.524
76 1HG ARG 13 2HG ARG 13 5.322 4.350 3.506
77 2HG ARG 13 1HG ARG 13 5.494 2.606 3.298
78 1HD ARG 13 2HD ARG 13 5.585 2.889 1.058
79 2HD ARG 13 1HD ARG 13 3.976 3.640 1.088
80 HE ARG 13 HE ARG 13 5.014 5.785 1.167
81 1HH1 ARG 13 1HH1 ARG 13 7.148 4.021 -0.344
82 2HH1 ARG 13 2HH1 ARG 13 8.592 4.659 0.370
83 1HH2 ARG 13 1HH2 ARG 13 6.923 6.274 2.943
84 2HH2 ARG 13 2HH2 ARG 13 8.463 5.937 2.229
85 H THR 14 H THR 14 4.144 -0.167 2.627
86 HA THR 14 HA THR 14 2.638 -1.491 4.800
87 HB THR 14 HB THR 14 4.675 -3.165 3.882
88 HG1 THR 14 1HG THR 14 4.395 -2.826 1.561
89 1HG2 THR 14 1HG2 THR 14 2.427 -3.927 4.141
90 2HG2 THR 14 2HG2 THR 14 2.797 -4.088 2.424
91 3HG2 THR 14 3HG2 THR 14 1.819 -2.736 2.993
92 H ALA 15 H ALA 15 3.573 -2.082 6.780
93 HA ALA 15 HA ALA 15 5.412 -0.530 8.109
94 1HB ALA 15 1HB ALA 15 5.880 -3.146 9.020
95 2HB ALA 15 2HB ALA 15 4.257 -3.187 8.331
96 3HB ALA 15 3HB ALA 15 4.644 -2.035 9.610
97 H ASP 16 H ASP 16 6.155 -3.066 5.781
98 HA ASP 16 HA ASP 16 8.962 -3.321 6.415
99 1HB ASP 16 2HB ASP 16 7.477 -4.917 5.139
100 2HB ASP 16 1HB ASP 16 7.515 -3.782 3.790
101 H GLY 17 H GLY 17 7.111 -0.939 4.714
102 1HA GLY 17 2HA GLY 17 8.084 1.232 4.192
103 2HA GLY 17 1HA GLY 17 9.640 0.435 3.952
104 H ARG 18 H ARG 18 6.433 -0.449 2.658
105 HA ARG 18 HA ARG 18 7.439 0.197 -0.087
106 1HB ARG 18 2HB ARG 18 6.599 -2.444 1.070
107 2HB ARG 18 1HB ARG 18 6.346 -2.129 -0.647
108 1HG ARG 18 2HG ARG 18 8.667 -1.813 -1.043
109 2HG ARG 18 1HG ARG 18 9.020 -1.655 0.677
110 1HD ARG 18 2HD ARG 18 9.706 -3.868 0.193
111 2HD ARG 18 1HD ARG 18 8.066 -4.099 0.834
112 HE ARG 18 HE ARG 18 7.466 -4.850 -1.315
113 1HH1 ARG 18 1HH2 ARG 18 10.652 -4.064 -1.627
114 2HH1 ARG 18 2HH2 ARG 18 10.571 -3.523 -3.270
115 1HH2 ARG 18 1HH1 ARG 18 7.106 -3.532 -3.379
116 2HH2 ARG 18 2HH1 ARG 18 8.563 -3.220 -4.262
117 H CYS 19 H CYS 19 5.658 0.212 -1.696
118 HA CYS 19 HA CYS 19 3.149 1.265 -0.524
119 1HB CYS 19 2HB CYS 19 4.280 1.119 -3.333
120 2HB CYS 19 1HB CYS 19 2.868 2.056 -2.845
121 H LYS 20 H LYS 20 1.466 -0.161 -0.275
122 HA LYS 20 HA LYS 20 1.155 -2.347 -2.306
123 1HB LYS 20 2HB LYS 20 1.999 -2.829 0.147
124 2HB LYS 20 1HB LYS 20 0.297 -2.619 0.564
125 1HG LYS 20 2HG LYS 20 -0.370 -4.495 -0.624
126 2HG LYS 20 1HG LYS 20 0.983 -4.390 -1.751
127 1HD LYS 20 2HD LYS 20 2.153 -4.772 0.779
128 2HD LYS 20 1HD LYS 20 0.787 -5.887 0.720
129 1HE LYS 20 2HE LYS 20 1.898 -6.159 -1.808
130 2HE LYS 20 1HE LYS 20 3.319 -5.989 -0.757
131 1HZ LYS 20 1HZ LYS 20 1.086 -7.653 0.162
132 2HZ LYS 20 2HZ LYS 20 2.747 -7.802 0.484
133 3HZ LYS 20 3HZ LYS 20 2.122 -8.295 -1.017
134 HA PRO 21 HA PRO 21 -2.795 -0.407 -2.661
135 1HB PRO 21 2HB PRO 21 -3.895 -2.218 -4.399
136 2HB PRO 21 1HB PRO 21 -2.806 -0.913 -4.877
137 1HG PRO 21 2HG PRO 21 -2.278 -3.784 -4.598
138 2HG PRO 21 1HG PRO 21 -1.486 -2.600 -5.624
139 1HD PRO 21 2HD PRO 21 -0.477 -3.668 -3.249
140 2HD PRO 21 1HD PRO 21 0.126 -2.228 -4.087
141 H THR 22 H THR 22 -4.599 -0.544 -1.493
142 HA THR 22 HA THR 22 -5.018 -2.741 0.347
143 HB THR 22 HB THR 22 -6.661 -1.271 1.243
144 HG1 THR 22 1HG THR 22 -6.717 0.224 -1.140
145 1HG2 THR 22 1HG2 THR 22 -4.956 0.750 -0.192
146 2HG2 THR 22 2HG2 THR 22 -4.211 -0.359 0.959
147 3HG2 THR 22 3HG2 THR 22 -5.485 0.739 1.490
148 H PHE 23 H PHE 23 -6.868 -1.464 -2.424
149 HA PHE 23 HA PHE 23 -8.056 -4.178 -2.797
150 1HB PHE 23 2HB PHE 23 -9.321 -1.849 -1.703
151 2HB PHE 23 1HB PHE 23 -10.049 -2.184 -3.275
152 HD1 PHE 23 1HD PHE 23 -11.593 -3.947 -3.535
153 HD2 PHE 23 2HD PHE 23 -9.096 -3.804 -0.044
154 HE1 PHE 23 1HE PHE 23 -12.869 -5.830 -2.545
155 HE2 PHE 23 2HE PHE 23 -10.372 -5.686 0.946
156 HZ PHE 23 HZ PHE 23 -12.258 -6.699 -0.304