Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
9063 | 1nau RC | 5673 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H SER 1 1H SER 1 -0.945 -7.346 4.945
2 2H SER 1 2H SER 1 -1.763 -7.206 3.519
3 3H SER 1 3H SER 1 -1.019 -5.890 4.176
4 HA SER 1 HA SER 1 -3.259 -7.350 5.335
5 1HB SER 1 1HB SER 1 -3.352 -5.533 7.004
6 2HB SER 1 2HB SER 1 -1.807 -6.402 7.059
7 HG SER 1 HG SER 1 -2.298 -3.928 5.752
8 H GLN 2 H GLN 2 -5.308 -6.401 5.171
9 HA GLN 2 HA GLN 2 -5.785 -4.884 2.739
10 1HB GLN 2 1HB GLN 2 -7.648 -5.895 4.926
11 2HB GLN 2 2HB GLN 2 -8.161 -5.129 3.410
12 1HG GLN 2 1HG GLN 2 -7.029 -6.917 2.117
13 2HG GLN 2 2HG GLN 2 -6.549 -7.712 3.627
14 1HE2 GLN 2 2HE2 GLN 2 -7.872 -9.328 2.021
15 2HE2 GLN 2 1HE2 GLN 2 -9.542 -9.529 2.509
16 H GLY 3 H GLY 3 -6.434 -4.332 6.237
17 1HA GLY 3 1HA GLY 3 -6.320 -2.406 7.476
18 2HA GLY 3 2HA GLY 3 -5.777 -1.509 6.054
19 H THR 4 H THR 4 -7.218 0.099 7.083
20 HA THR 4 HA THR 4 -10.007 -0.050 6.058
21 HB THR 4 HB THR 4 -10.718 1.081 8.186
22 HG1 THR 4 HG1 THR 4 -8.229 0.101 9.137
23 1HG2 THR 4 1HG2 THR 4 -10.917 -0.969 9.485
24 2HG2 THR 4 2HG2 THR 4 -11.163 -1.328 7.765
25 3HG2 THR 4 3HG2 THR 4 -9.624 -1.743 8.553
26 H THR 5 H THR 5 -9.819 1.374 4.469
27 HA THR 5 HA THR 5 -9.310 3.219 3.287
28 HB THR 5 HB THR 5 -11.449 3.696 4.007
29 HG1 THR 5 HG1 THR 5 -10.386 5.473 3.132
30 1HG2 THR 5 1HG2 THR 5 -12.049 4.884 6.090
31 2HG2 THR 5 2HG2 THR 5 -11.451 3.247 6.364
32 3HG2 THR 5 3HG2 THR 5 -10.410 4.640 6.711
33 H SER 6 H SER 6 -9.016 5.559 5.757
34 HA SER 6 HA SER 6 -6.673 6.665 4.905
35 1HB SER 6 1HB SER 6 -8.291 7.697 6.457
36 2HB SER 6 2HB SER 6 -7.735 6.623 7.757
37 HG SER 6 HG SER 6 -6.141 8.496 6.331
38 H GLU 7 H GLU 7 -6.988 3.932 7.183
39 HA GLU 7 HA GLU 7 -4.317 3.928 8.143
40 1HB GLU 7 1HB GLU 7 -6.332 2.730 9.073
41 2HB GLU 7 2HB GLU 7 -6.158 1.536 7.787
42 1HG GLU 7 1HG GLU 7 -4.058 2.225 9.892
43 2HG GLU 7 2HG GLU 7 -5.168 0.852 9.969
44 H TYR 8 H TYR 8 -5.853 2.075 5.405
45 HA TYR 8 HA TYR 8 -3.296 1.031 4.581
46 1HB TYR 8 1HB TYR 8 -4.387 0.046 2.722
47 2HB TYR 8 2HB TYR 8 -5.303 -0.223 4.194
48 HD1 TYR 8 HD1 TYR 8 -5.164 2.117 1.200
49 HD2 TYR 8 HD2 TYR 8 -7.606 -0.167 3.920
50 HE1 TYR 8 HE1 TYR 8 -7.175 2.723 -0.091
51 HE2 TYR 8 HE2 TYR 8 -9.585 0.285 2.511
52 HH TYR 8 HH TYR 8 -10.418 1.425 0.691
53 H SER 9 H SER 9 -5.049 3.958 3.838
54 HA SER 9 HA SER 9 -4.094 4.668 1.368
55 1HB SER 9 1HB SER 9 -5.744 5.922 2.699
56 2HB SER 9 2HB SER 9 -4.428 6.551 3.715
57 HG SER 9 HG SER 9 -4.651 6.874 0.908
58 H LYS 10 H LYS 10 -2.320 4.695 4.452
59 HA LYS 10 HA LYS 10 -0.048 6.222 3.639
60 1HB LYS 10 1HB LYS 10 -0.219 4.016 5.716
61 2HB LYS 10 2HB LYS 10 0.961 5.328 5.629
62 1HG LYS 10 1HG LYS 10 -2.011 5.594 6.284
63 2HG LYS 10 2HG LYS 10 -0.635 5.761 7.357
64 1HD LYS 10 1HD LYS 10 -1.154 7.936 7.004
65 2HD LYS 10 2HD LYS 10 0.120 7.720 5.798
66 1HE LYS 10 1HE LYS 10 -1.592 7.666 3.998
67 2HE LYS 10 2HE LYS 10 -2.882 7.556 5.202
68 1HZ LYS 10 1HZ LYS 10 -2.629 9.733 4.324
69 2HZ LYS 10 2HZ LYS 10 -2.278 9.734 5.935
70 3HZ LYS 10 3HZ LYS 10 -1.061 9.816 4.825
71 H TYR 11 H TYR 11 -0.680 2.661 3.627
72 HA TYR 11 HA TYR 11 1.878 2.229 2.209
73 1HB TYR 11 1HB TYR 11 1.451 -0.116 2.602
74 2HB TYR 11 2HB TYR 11 1.616 0.858 4.055
75 HD1 TYR 11 HD1 TYR 11 -1.044 -0.728 1.876
76 HD2 TYR 11 HD2 TYR 11 0.123 0.601 5.815
77 HE1 TYR 11 HE1 TYR 11 -2.913 -1.999 2.865
78 HE2 TYR 11 HE2 TYR 11 -1.663 -0.783 6.800
79 HH TYR 11 HH TYR 11 -3.436 -2.178 6.404
80 H LEU 12 H LEU 12 -0.549 3.571 1.117
81 HA LEU 12 HA LEU 12 -0.607 2.076 -1.426
82 1HB LEU 12 1HB LEU 12 -2.775 1.980 -0.432
83 2HB LEU 12 2HB LEU 12 -2.690 3.669 0.054
84 HG LEU 12 HG LEU 12 -2.902 4.437 -2.234
85 1HD1 LEU 12 1HD2 LEU 12 -1.850 2.479 -3.441
86 2HD1 LEU 12 2HD2 LEU 12 -3.209 1.460 -2.935
87 3HD1 LEU 12 3HD2 LEU 12 -3.474 2.813 -4.054
88 1HD2 LEU 12 1HD1 LEU 12 -5.236 3.751 -2.597
89 2HD2 LEU 12 2HD1 LEU 12 -5.025 2.400 -1.465
90 3HD2 LEU 12 3HD1 LEU 12 -4.918 4.077 -0.885
91 H ASP 13 H ASP 13 0.397 4.850 0.366
92 HA ASP 13 HA ASP 13 0.408 6.739 -1.842
93 1HB ASP 13 1HB ASP 13 -0.127 7.348 0.479
94 2HB ASP 13 2HB ASP 13 1.489 6.885 0.994
95 H SER 14 H SER 14 3.233 7.068 -0.062
96 HA SER 14 HA SER 14 4.814 6.428 -2.469
97 1HB SER 14 1HB SER 14 5.449 8.136 -0.037
98 2HB SER 14 2HB SER 14 6.443 7.966 -1.506
99 HG SER 14 HG SER 14 3.796 8.970 -1.330
100 H ARG 15 H ARG 15 6.774 6.632 0.275
101 HA ARG 15 HA ARG 15 8.299 4.481 -0.205
102 1HB ARG 15 1HB ARG 15 8.848 6.292 1.275
103 2HB ARG 15 2HB ARG 15 7.674 5.770 2.483
104 1HG ARG 15 1HG ARG 15 9.883 3.875 1.619
105 2HG ARG 15 2HG ARG 15 10.252 5.226 2.699
106 1HD ARG 15 1HD ARG 15 8.552 4.467 4.315
107 2HD ARG 15 2HD ARG 15 8.192 3.068 3.287
108 HE ARG 15 HE ARG 15 10.994 3.237 3.899
109 1HH1 ARG 15 1HH1 ARG 15 7.857 2.202 5.231
110 2HH1 ARG 15 2HH1 ARG 15 8.576 1.004 6.280
111 1HH2 ARG 15 1HH2 ARG 15 11.894 1.668 5.286
112 2HH2 ARG 15 2HH2 ARG 15 10.860 0.704 6.315
113 H ARG 16 H ARG 16 5.582 4.437 2.144
114 HA ARG 16 HA ARG 16 6.028 1.820 3.113
115 1HB ARG 16 1HB ARG 16 3.544 3.508 2.931
116 2HB ARG 16 2HB ARG 16 3.675 2.067 3.953
117 1HG ARG 16 1HG ARG 16 5.103 3.054 5.457
118 2HG ARG 16 2HG ARG 16 5.773 4.206 4.301
119 1HD ARG 16 1HD ARG 16 2.937 4.308 5.384
120 2HD ARG 16 2HD ARG 16 4.256 5.323 5.976
121 HE ARG 16 HE ARG 16 2.705 5.652 3.539
122 1HH1 ARG 16 1HH1 ARG 16 5.893 6.370 4.963
123 2HH1 ARG 16 2HH1 ARG 16 6.225 7.654 3.825
124 1HH2 ARG 16 1HH2 ARG 16 3.175 7.334 2.089
125 2HH2 ARG 16 2HH2 ARG 16 4.689 8.199 2.201
126 H ALA 17 H ALA 17 4.119 3.008 0.323
127 HA ALA 17 HA ALA 17 2.843 0.505 -0.253
128 1HB ALA 17 1HB ALA 17 3.525 2.762 -2.171
129 2HB ALA 17 2HB ALA 17 2.321 1.483 -2.396
130 3HB ALA 17 3HB ALA 17 2.092 2.707 -1.132
131 H GLN 18 H GLN 18 6.074 1.834 -0.900
132 HA GLN 18 HA GLN 18 6.706 -0.091 -2.975
133 1HB GLN 18 1HB GLN 18 8.758 1.383 -1.304
134 2HB GLN 18 2HB GLN 18 8.911 0.714 -2.926
135 1HG GLN 18 1HG GLN 18 7.428 3.197 -2.046
136 2HG GLN 18 2HG GLN 18 8.767 3.068 -3.178
137 1HE2 GLN 18 2HE2 GLN 18 5.463 3.522 -2.966
138 2HE2 GLN 18 1HE2 GLN 18 5.001 3.025 -4.582
139 H ASP 19 H ASP 19 7.088 0.140 0.515
140 HA ASP 19 HA ASP 19 8.691 -2.229 0.907
141 1HB ASP 19 1HB ASP 19 6.952 -0.523 2.734
142 2HB ASP 19 2HB ASP 19 7.785 -1.977 3.287
143 H PHE 20 H PHE 20 5.178 -1.483 0.972
144 HA PHE 20 HA PHE 20 4.332 -4.107 1.659
145 1HB PHE 20 1HB PHE 20 3.028 -1.643 0.621
146 2HB PHE 20 2HB PHE 20 2.233 -3.154 0.228
147 HD1 PHE 20 HD1 PHE 20 3.984 -1.790 3.300
148 HD2 PHE 20 HD2 PHE 20 0.499 -3.741 1.659
149 HE1 PHE 20 HE1 PHE 20 2.998 -1.952 5.565
150 HE2 PHE 20 HE2 PHE 20 -0.467 -3.907 3.925
151 HZ PHE 20 HZ PHE 20 0.777 -3.024 5.887
152 H VAL 21 H VAL 21 5.005 -2.658 -1.632
153 HA VAL 21 HA VAL 21 3.977 -5.126 -2.824
154 HB VAL 21 HB VAL 21 4.857 -4.421 -4.941
155 1HG1 VAL 21 1HG2 VAL 21 2.634 -3.702 -4.217
156 2HG1 VAL 21 2HG2 VAL 21 3.315 -2.236 -3.490
157 3HG1 VAL 21 3HG2 VAL 21 3.400 -2.478 -5.244
158 1HG2 VAL 21 1HG1 VAL 21 5.837 -2.183 -5.260
159 2HG2 VAL 21 2HG1 VAL 21 5.919 -1.994 -3.502
160 3HG2 VAL 21 3HG1 VAL 21 6.904 -3.230 -4.312
161 H GLN 22 H GLN 22 7.247 -3.930 -1.996
162 HA GLN 22 HA GLN 22 8.746 -6.108 -2.930
163 1HB GLN 22 1HB GLN 22 9.695 -4.020 -2.061
164 2HB GLN 22 2HB GLN 22 9.082 -4.379 -0.447
165 1HG GLN 22 1HG GLN 22 11.486 -4.820 -0.624
166 2HG GLN 22 2HG GLN 22 10.578 -6.271 -0.201
167 1HE2 GLN 22 2HE2 GLN 22 11.244 -4.652 -3.389
168 2HE2 GLN 22 1HE2 GLN 22 11.978 -6.065 -4.117
169 H TRP 23 H TRP 23 6.746 -5.793 0.043
170 HA TRP 23 HA TRP 23 7.754 -8.183 1.309
171 1HB TRP 23 1HB TRP 23 6.875 -6.502 2.726
172 2HB TRP 23 2HB TRP 23 5.457 -6.256 1.713
173 HD1 TRP 23 HD1 TRP 23 6.878 -9.016 3.925
174 HE1 TRP 23 HE1 TRP 23 4.875 -10.327 5.013
175 HE3 TRP 23 HE3 TRP 23 3.080 -6.814 1.441
176 HZ2 TRP 23 HZ2 TRP 23 2.036 -10.410 4.724
177 HZ3 TRP 23 HZ3 TRP 23 0.714 -7.549 1.788
178 HH2 TRP 23 HH2 TRP 23 0.199 -9.338 3.443
179 H LEU 24 H LEU 24 4.667 -7.269 -0.229
180 HA LEU 24 HA LEU 24 3.308 -9.644 -0.244
181 1HB LEU 24 1HB LEU 24 2.427 -7.449 -0.904
182 2HB LEU 24 2HB LEU 24 3.422 -7.471 -2.363
183 HG LEU 24 HG LEU 24 2.137 -9.410 -3.231
184 1HD1 LEU 24 1HD1 LEU 24 0.004 -10.046 -2.077
185 2HD1 LEU 24 2HD1 LEU 24 1.433 -10.515 -1.154
186 3HD1 LEU 24 3HD1 LEU 24 0.499 -9.079 -0.673
187 1HD2 LEU 24 1HD2 LEU 24 0.049 -8.190 -3.669
188 2HD2 LEU 24 2HD2 LEU 24 0.396 -7.080 -2.325
189 3HD2 LEU 24 3HD2 LEU 24 1.445 -7.101 -3.759
190 H MET 25 H MET 25 5.751 -8.498 -2.514
191 HA MET 25 HA MET 25 5.598 -10.616 -4.455
192 1HB MET 25 1HB MET 25 7.697 -8.569 -3.692
193 2HB MET 25 2HB MET 25 8.019 -9.799 -4.920
194 1HG MET 25 1HG MET 25 6.264 -9.039 -6.335
195 2HG MET 25 2HG MET 25 5.575 -8.006 -5.085
196 1HE MET 25 1HE MET 25 6.097 -7.057 -8.075
197 2HE MET 25 2HE MET 25 5.372 -6.050 -6.799
198 3HE MET 25 3HE MET 25 6.727 -5.422 -7.766
199 H ASN 26 H ASN 26 7.924 -10.015 -1.754
200 HA ASN 26 HA ASN 26 9.358 -12.430 -2.019
201 1HB ASN 26 1HB ASN 26 8.826 -10.739 0.458
202 2HB ASN 26 2HB ASN 26 10.041 -12.022 0.344
203 1HD2 ASN 26 2HD2 ASN 26 10.706 -9.327 0.997
204 2HD2 ASN 26 1HD2 ASN 26 11.644 -8.668 -0.335
205 H THR 27 H THR 27 6.336 -11.750 -0.228
206 HA THR 27 HA THR 27 6.141 -14.496 0.787
207 HB THR 27 HB THR 27 3.984 -13.706 1.667
208 HG1 THR 27 HG1 THR 27 3.629 -12.188 -0.092
209 1HG2 THR 27 1HG2 THR 27 6.105 -13.294 2.932
210 2HG2 THR 27 2HG2 THR 27 6.216 -11.686 2.187
211 3HG2 THR 27 3HG2 THR 27 4.848 -12.079 3.244
212 1HN NH2 28 1H NH2 28 6.522 -15.135 -1.647
213 2HN NH2 28 2H NH2 28 5.053 -15.424 -2.564
Start of MODEL 2
1 1H SER 1 1H SER 1 -13.287 4.667 -6.206
2 2H SER 1 2H SER 1 -11.887 5.517 -6.396
3 3H SER 1 3H SER 1 -11.943 3.922 -6.804
4 HA SER 1 HA SER 1 -12.264 5.010 -4.116
5 1HB SER 1 1HB SER 1 -12.232 2.649 -3.365
6 2HB SER 1 2HB SER 1 -13.595 2.992 -4.438
7 HG SER 1 HG SER 1 -12.396 2.067 -6.143
8 H GLN 2 H GLN 2 -10.223 6.032 -5.560
9 HA GLN 2 HA GLN 2 -7.924 5.229 -4.057
10 1HB GLN 2 1HB GLN 2 -6.449 4.544 -5.812
11 2HB GLN 2 2HB GLN 2 -7.812 3.439 -5.740
12 1HG GLN 2 1HG GLN 2 -7.328 5.612 -7.825
13 2HG GLN 2 2HG GLN 2 -7.159 3.877 -8.036
14 1HE2 GLN 2 2HE2 GLN 2 -9.132 2.504 -7.833
15 2HE2 GLN 2 1HE2 GLN 2 -10.665 3.193 -8.324
16 H GLY 3 H GLY 3 -9.101 6.989 -6.960
17 1HA GLY 3 1HA GLY 3 -7.043 9.026 -6.820
18 2HA GLY 3 2HA GLY 3 -8.468 8.985 -7.865
19 H THR 4 H THR 4 -7.547 9.475 -4.426
20 HA THR 4 HA THR 4 -9.206 11.899 -4.268
21 HB THR 4 HB THR 4 -10.794 10.106 -3.754
22 HG1 THR 4 HG1 THR 4 -10.983 12.004 -2.584
23 1HG2 THR 4 1HG2 THR 4 -10.489 8.710 -1.716
24 2HG2 THR 4 2HG2 THR 4 -9.357 8.302 -3.015
25 3HG2 THR 4 3HG2 THR 4 -8.798 9.249 -1.625
26 H THR 5 H THR 5 -8.960 11.764 -1.308
27 HA THR 5 HA THR 5 -6.018 12.133 -0.923
28 HB THR 5 HB THR 5 -6.693 13.859 0.767
29 HG1 THR 5 HG1 THR 5 -8.825 14.682 0.543
30 1HG2 THR 5 1HG2 THR 5 -5.938 14.516 -1.506
31 2HG2 THR 5 2HG2 THR 5 -7.619 14.455 -2.082
32 3HG2 THR 5 3HG2 THR 5 -7.142 15.643 -0.853
33 H SER 6 H SER 6 -9.146 11.458 0.642
34 HA SER 6 HA SER 6 -8.247 10.386 3.064
35 1HB SER 6 1HB SER 6 -10.494 9.270 3.094
36 2HB SER 6 2HB SER 6 -10.551 11.001 2.720
37 HG SER 6 HG SER 6 -10.802 10.484 0.538
38 H GLU 7 H GLU 7 -9.343 8.518 0.209
39 HA GLU 7 HA GLU 7 -7.917 6.097 1.157
40 1HB GLU 7 1HB GLU 7 -10.302 6.009 0.444
41 2HB GLU 7 2HB GLU 7 -9.809 6.460 -1.197
42 1HG GLU 7 1HG GLU 7 -8.473 4.382 -1.382
43 2HG GLU 7 2HG GLU 7 -8.807 4.007 0.313
44 H TYR 8 H TYR 8 -6.008 7.768 0.748
45 HA TYR 8 HA TYR 8 -4.713 6.980 -1.750
46 1HB TYR 8 1HB TYR 8 -6.207 8.804 -2.465
47 2HB TYR 8 2HB TYR 8 -5.491 9.864 -1.272
48 HD1 TYR 8 HD1 TYR 8 -4.504 7.620 -4.132
49 HD2 TYR 8 HD2 TYR 8 -3.718 11.268 -1.970
50 HE1 TYR 8 HE1 TYR 8 -3.161 8.443 -6.023
51 HE2 TYR 8 HE2 TYR 8 -2.345 12.083 -3.843
52 HH TYR 8 HH TYR 8 -1.559 11.662 -5.976
53 H SER 9 H SER 9 -4.482 9.702 0.555
54 HA SER 9 HA SER 9 -1.727 9.862 0.623
55 1HB SER 9 1HB SER 9 -3.623 10.661 2.849
56 2HB SER 9 2HB SER 9 -2.007 11.308 2.518
57 HG SER 9 HG SER 9 -4.352 11.526 0.945
58 H LYS 10 H LYS 10 -3.618 7.391 2.104
59 HA LYS 10 HA LYS 10 -2.069 6.891 4.456
60 1HB LYS 10 1HB LYS 10 -3.741 4.851 2.988
61 2HB LYS 10 2HB LYS 10 -3.416 4.973 4.716
62 1HG LYS 10 1HG LYS 10 -5.267 6.719 3.032
63 2HG LYS 10 2HG LYS 10 -5.698 5.493 4.205
64 1HD LYS 10 1HD LYS 10 -6.108 7.400 5.370
65 2HD LYS 10 2HD LYS 10 -4.512 6.957 5.987
66 1HE LYS 10 1HE LYS 10 -3.474 8.745 4.703
67 2HE LYS 10 2HE LYS 10 -4.933 8.953 3.709
68 1HZ LYS 10 1HZ LYS 10 -4.705 10.640 5.348
69 2HZ LYS 10 2HZ LYS 10 -6.052 9.738 5.649
70 3HZ LYS 10 3HZ LYS 10 -4.699 9.532 6.569
71 H TYR 11 H TYR 11 -1.874 5.855 1.071
72 HA TYR 11 HA TYR 11 0.446 4.078 1.640
73 1HB TYR 11 1HB TYR 11 -0.248 2.888 -0.344
74 2HB TYR 11 2HB TYR 11 -1.401 2.838 0.995
75 HD1 TYR 11 HD1 TYR 11 -3.646 3.690 0.772
76 HD2 TYR 11 HD2 TYR 11 -0.797 4.188 -2.427
77 HE1 TYR 11 HE1 TYR 11 -5.487 4.265 -0.777
78 HE2 TYR 11 HE2 TYR 11 -2.643 4.778 -3.972
79 HH TYR 11 HH TYR 11 -6.022 5.120 -2.871
80 H LEU 12 H LEU 12 -0.819 6.733 -0.268
81 HA LEU 12 HA LEU 12 0.537 7.004 -2.511
82 1HB LEU 12 1HB LEU 12 -1.072 8.528 -1.540
83 2HB LEU 12 2HB LEU 12 0.092 9.058 -0.320
84 HG LEU 12 HG LEU 12 -0.506 10.625 -2.145
85 1HD1 LEU 12 1HD2 LEU 12 2.491 10.120 -2.090
86 2HD1 LEU 12 2HD2 LEU 12 1.635 11.629 -2.411
87 3HD1 LEU 12 3HD2 LEU 12 1.564 10.908 -0.795
88 1HD2 LEU 12 1HD1 LEU 12 1.275 8.911 -3.938
89 2HD2 LEU 12 2HD1 LEU 12 -0.496 8.930 -4.003
90 3HD2 LEU 12 3HD1 LEU 12 0.425 10.403 -4.375
91 H ASP 13 H ASP 13 2.106 7.838 0.631
92 HA ASP 13 HA ASP 13 4.442 9.005 -0.306
93 1HB ASP 13 1HB ASP 13 4.036 9.122 1.980
94 2HB ASP 13 2HB ASP 13 3.645 7.412 2.082
95 H SER 14 H SER 14 6.329 8.326 -1.198
96 HA SER 14 HA SER 14 6.251 5.690 -2.431
97 1HB SER 14 1HB SER 14 8.114 6.552 -3.744
98 2HB SER 14 2HB SER 14 6.657 7.577 -3.791
99 HG SER 14 HG SER 14 8.941 8.004 -2.156
100 H ARG 15 H ARG 15 6.497 4.722 -0.301
101 HA ARG 15 HA ARG 15 9.110 3.637 0.154
102 1HB ARG 15 1HB ARG 15 9.536 5.770 1.214
103 2HB ARG 15 2HB ARG 15 8.049 5.699 2.139
104 1HG ARG 15 1HG ARG 15 10.304 3.654 2.431
105 2HG ARG 15 2HG ARG 15 10.305 5.198 3.285
106 1HD ARG 15 1HD ARG 15 8.301 2.950 3.674
107 2HD ARG 15 2HD ARG 15 9.520 3.539 4.796
108 HE ARG 15 HE ARG 15 7.971 5.770 4.226
109 1HH1 ARG 15 1HH1 ARG 15 7.385 2.561 5.648
110 2HH1 ARG 15 2HH1 ARG 15 6.041 3.120 6.617
111 1HH2 ARG 15 1HH2 ARG 15 6.209 6.457 5.484
112 2HH2 ARG 15 2HH2 ARG 15 5.378 5.329 6.530
113 H ARG 16 H ARG 16 5.906 4.439 1.558
114 HA ARG 16 HA ARG 16 5.787 1.995 3.121
115 1HB ARG 16 1HB ARG 16 3.529 2.620 3.669
116 2HB ARG 16 2HB ARG 16 4.703 3.908 3.953
117 1HG ARG 16 1HG ARG 16 3.951 4.966 1.770
118 2HG ARG 16 2HG ARG 16 2.704 3.702 1.685
119 1HD ARG 16 1HD ARG 16 1.750 5.676 2.670
120 2HD ARG 16 2HD ARG 16 1.904 4.401 3.921
121 HE ARG 16 HE ARG 16 4.150 6.235 3.741
122 1HH1 ARG 16 1HH1 ARG 16 0.867 5.924 5.077
123 2HH1 ARG 16 2HH1 ARG 16 1.153 7.072 6.365
124 1HH2 ARG 16 1HH2 ARG 16 4.506 7.716 5.460
125 2HH2 ARG 16 2HH2 ARG 16 3.214 8.102 6.573
126 H ALA 17 H ALA 17 4.103 3.102 0.128
127 HA ALA 17 HA ALA 17 2.651 0.679 -0.287
128 1HB ALA 17 1HB ALA 17 3.450 2.996 -2.080
129 2HB ALA 17 2HB ALA 17 2.413 1.649 -2.617
130 3HB ALA 17 3HB ALA 17 1.897 2.695 -1.285
131 H GLN 18 H GLN 18 5.801 1.875 -1.381
132 HA GLN 18 HA GLN 18 6.498 -0.249 -3.151
133 1HB GLN 18 1HB GLN 18 7.949 1.910 -1.583
134 2HB GLN 18 2HB GLN 18 8.878 0.679 -2.438
135 1HG GLN 18 1HG GLN 18 8.413 2.875 -3.668
136 2HG GLN 18 2HG GLN 18 8.190 1.340 -4.524
137 1HE2 GLN 18 2HE2 GLN 18 6.230 3.759 -2.634
138 2HE2 GLN 18 1HE2 GLN 18 4.837 3.620 -3.681
139 H ASP 19 H ASP 19 7.057 0.247 0.342
140 HA ASP 19 HA ASP 19 8.545 -2.152 0.792
141 1HB ASP 19 1HB ASP 19 8.556 -0.358 2.412
142 2HB ASP 19 2HB ASP 19 6.808 -0.480 2.648
143 H PHE 20 H PHE 20 5.023 -1.413 0.998
144 HA PHE 20 HA PHE 20 4.177 -4.013 1.766
145 1HB PHE 20 1HB PHE 20 2.685 -1.975 0.088
146 2HB PHE 20 2HB PHE 20 1.975 -3.315 0.984
147 HD1 PHE 20 HD1 PHE 20 1.057 -0.487 1.180
148 HD2 PHE 20 HD2 PHE 20 3.972 -2.656 3.522
149 HE1 PHE 20 HE1 PHE 20 0.776 1.120 3.043
150 HE2 PHE 20 HE2 PHE 20 3.679 -1.052 5.362
151 HZ PHE 20 HZ PHE 20 2.086 0.841 5.138
152 H VAL 21 H VAL 21 4.855 -2.621 -1.483
153 HA VAL 21 HA VAL 21 3.894 -4.958 -2.882
154 HB VAL 21 HB VAL 21 5.683 -2.631 -3.660
155 1HG1 VAL 21 1HG1 VAL 21 5.499 -3.464 -6.013
156 2HG1 VAL 21 2HG1 VAL 21 6.512 -4.499 -5.003
157 3HG1 VAL 21 3HG1 VAL 21 4.850 -4.997 -5.394
158 1HG2 VAL 21 1HG2 VAL 21 2.937 -3.528 -4.652
159 2HG2 VAL 21 2HG2 VAL 21 3.176 -2.297 -3.404
160 3HG2 VAL 21 3HG2 VAL 21 3.774 -2.012 -5.047
161 H GLN 22 H GLN 22 7.183 -3.898 -1.888
162 HA GLN 22 HA GLN 22 8.601 -6.118 -2.803
163 1HB GLN 22 1HB GLN 22 9.627 -4.050 -1.964
164 2HB GLN 22 2HB GLN 22 9.047 -4.398 -0.330
165 1HG GLN 22 1HG GLN 22 11.403 -4.914 -0.528
166 2HG GLN 22 2HG GLN 22 10.500 -6.387 -0.199
167 1HE2 GLN 22 2HE2 GLN 22 10.239 -7.962 -1.946
168 2HE2 GLN 22 1HE2 GLN 22 11.331 -7.942 -3.320
169 H TRP 23 H TRP 23 6.523 -5.793 0.093
170 HA TRP 23 HA TRP 23 7.533 -8.160 1.421
171 1HB TRP 23 1HB TRP 23 6.562 -6.509 2.811
172 2HB TRP 23 2HB TRP 23 5.171 -6.297 1.750
173 HD1 TRP 23 HD1 TRP 23 6.638 -9.048 3.939
174 HE1 TRP 23 HE1 TRP 23 4.674 -10.525 4.879
175 HE3 TRP 23 HE3 TRP 23 2.841 -6.978 1.364
176 HZ2 TRP 23 HZ2 TRP 23 1.870 -10.793 4.415
177 HZ3 TRP 23 HZ3 TRP 23 0.518 -7.903 1.521
178 HH2 TRP 23 HH2 TRP 23 0.040 -9.801 3.060
179 H LEU 24 H LEU 24 4.497 -7.307 -0.267
180 HA LEU 24 HA LEU 24 3.239 -9.752 -0.379
181 1HB LEU 24 1HB LEU 24 2.336 -7.567 -1.026
182 2HB LEU 24 2HB LEU 24 3.332 -7.533 -2.472
183 HG LEU 24 HG LEU 24 0.887 -8.071 -2.732
184 1HD1 LEU 24 1HD2 LEU 24 2.652 -10.248 -3.903
185 2HD1 LEU 24 2HD2 LEU 24 1.130 -9.609 -4.524
186 3HD1 LEU 24 3HD2 LEU 24 2.569 -8.577 -4.500
187 1HD2 LEU 24 1HD1 LEU 24 0.039 -10.284 -2.284
188 2HD2 LEU 24 2HD1 LEU 24 1.604 -10.829 -1.661
189 3HD2 LEU 24 3HD1 LEU 24 0.673 -9.597 -0.778
190 H MET 25 H MET 25 5.706 -8.435 -2.529
191 HA MET 25 HA MET 25 5.782 -10.548 -4.472
192 1HB MET 25 1HB MET 25 7.729 -8.394 -3.592
193 2HB MET 25 2HB MET 25 8.166 -9.572 -4.823
194 1HG MET 25 1HG MET 25 5.716 -7.766 -4.993
195 2HG MET 25 2HG MET 25 7.271 -7.397 -5.739
196 1HE MET 25 1HE MET 25 8.260 -8.580 -7.804
197 2HE MET 25 2HE MET 25 8.225 -10.190 -7.041
198 3HE MET 25 3HE MET 25 7.510 -9.954 -8.647
199 H ASN 26 H ASN 26 7.885 -9.827 -1.635
200 HA ASN 26 HA ASN 26 9.568 -12.056 -1.832
201 1HB ASN 26 1HB ASN 26 9.980 -10.117 -0.368
202 2HB ASN 26 2HB ASN 26 8.613 -10.577 0.658
203 1HD2 ASN 26 2HD2 ASN 26 11.725 -11.838 -0.656
204 2HD2 ASN 26 1HD2 ASN 26 12.116 -12.802 0.751
205 H THR 27 H THR 27 6.380 -11.725 -0.229
206 HA THR 27 HA THR 27 6.336 -14.513 0.664
207 HB THR 27 HB THR 27 4.095 -13.902 1.478
208 HG1 THR 27 HG1 THR 27 3.723 -12.340 -0.255
209 1HG2 THR 27 1HG2 THR 27 6.134 -13.392 2.840
210 2HG2 THR 27 2HG2 THR 27 6.168 -11.758 2.150
211 3HG2 THR 27 3HG2 THR 27 4.789 -12.269 3.139
212 1HN NH2 28 1H NH2 28 6.868 -15.020 -1.776
213 2HN NH2 28 2H NH2 28 5.464 -15.378 -2.767
Start of MODEL 3
1 1H SER 1 1H SER 1 -10.545 -1.858 3.187
2 2H SER 1 2H SER 1 -10.786 -3.217 2.283
3 3H SER 1 3H SER 1 -9.266 -2.817 2.782
4 HA SER 1 HA SER 1 -9.538 -2.339 0.493
5 1HB SER 1 1HB SER 1 -11.110 -0.505 -0.170
6 2HB SER 1 2HB SER 1 -11.895 -2.000 0.361
7 HG SER 1 HG SER 1 -12.262 -1.040 2.378
8 H GLN 2 H GLN 2 -10.354 0.624 2.324
9 HA GLN 2 HA GLN 2 -7.594 1.327 2.794
10 1HB GLN 2 1HB GLN 2 -7.405 3.229 1.407
11 2HB GLN 2 2HB GLN 2 -7.869 1.904 0.351
12 1HG GLN 2 1HG GLN 2 -9.698 4.131 1.379
13 2HG GLN 2 2HG GLN 2 -9.001 3.989 -0.231
14 1HE2 GLN 2 2HE2 GLN 2 -11.502 2.815 1.943
15 2HE2 GLN 2 1HE2 GLN 2 -12.378 1.881 0.745
16 H GLY 3 H GLY 3 -7.393 3.265 4.080
17 1HA GLY 3 1HA GLY 3 -9.653 3.640 5.906
18 2HA GLY 3 2HA GLY 3 -8.018 4.303 6.030
19 H THR 4 H THR 4 -8.688 6.422 6.501
20 HA THR 4 HA THR 4 -10.463 7.945 4.789
21 HB THR 4 HB THR 4 -9.649 9.862 6.093
22 HG1 THR 4 HG1 THR 4 -8.063 9.450 7.712
23 1HG2 THR 4 1HG2 THR 4 -10.353 9.174 8.316
24 2HG2 THR 4 2HG2 THR 4 -11.380 8.385 7.103
25 3HG2 THR 4 3HG2 THR 4 -10.101 7.463 7.925
26 H THR 5 H THR 5 -9.603 9.977 3.664
27 HA THR 5 HA THR 5 -7.731 9.318 1.676
28 HB THR 5 HB THR 5 -9.423 11.016 1.384
29 HG1 THR 5 HG1 THR 5 -7.536 11.022 0.124
30 1HG2 THR 5 1HG2 THR 5 -9.257 13.251 2.251
31 2HG2 THR 5 2HG2 THR 5 -9.284 12.148 3.636
32 3HG2 THR 5 3HG2 THR 5 -7.755 12.895 3.110
33 H SER 6 H SER 6 -7.248 11.273 4.634
34 HA SER 6 HA SER 6 -4.506 11.813 4.305
35 1HB SER 6 1HB SER 6 -5.979 12.935 5.937
36 2HB SER 6 2HB SER 6 -6.109 11.430 6.871
37 HG SER 6 HG SER 6 -3.711 12.848 6.309
38 H GLU 7 H GLU 7 -6.159 9.011 5.861
39 HA GLU 7 HA GLU 7 -3.815 7.788 6.864
40 1HB GLU 7 1HB GLU 7 -6.032 7.231 7.678
41 2HB GLU 7 2HB GLU 7 -6.514 6.625 6.086
42 1HG GLU 7 1HG GLU 7 -6.001 4.803 7.655
43 2HG GLU 7 2HG GLU 7 -4.951 4.778 6.240
44 H TYR 8 H TYR 8 -5.697 6.956 3.852
45 HA TYR 8 HA TYR 8 -3.737 5.036 3.118
46 1HB TYR 8 1HB TYR 8 -4.901 4.679 1.102
47 2HB TYR 8 2HB TYR 8 -6.019 4.807 2.451
48 HD1 TYR 8 HD1 TYR 8 -8.013 5.852 1.950
49 HD2 TYR 8 HD2 TYR 8 -4.507 6.983 -0.285
50 HE1 TYR 8 HE1 TYR 8 -9.417 7.210 0.424
51 HE2 TYR 8 HE2 TYR 8 -5.882 8.450 -1.704
52 HH TYR 8 HH TYR 8 -8.004 9.188 -2.208
53 H SER 9 H SER 9 -3.883 8.488 2.421
54 HA SER 9 HA SER 9 -2.154 8.699 0.257
55 1HB SER 9 1HB SER 9 -2.386 10.428 2.734
56 2HB SER 9 2HB SER 9 -1.369 10.831 1.339
57 HG SER 9 HG SER 9 -4.157 10.353 1.264
58 H LYS 10 H LYS 10 -1.360 7.782 3.609
59 HA LYS 10 HA LYS 10 1.496 8.048 3.354
60 1HB LYS 10 1HB LYS 10 -0.064 6.238 5.216
61 2HB LYS 10 2HB LYS 10 1.595 6.813 5.405
62 1HG LYS 10 1HG LYS 10 -0.953 8.493 5.578
63 2HG LYS 10 2HG LYS 10 0.124 8.006 6.873
64 1HD LYS 10 1HD LYS 10 0.751 10.165 6.579
65 2HD LYS 10 2HD LYS 10 1.976 9.348 5.603
66 1HE LYS 10 1HE LYS 10 0.837 10.075 3.537
67 2HE LYS 10 2HE LYS 10 -0.596 10.558 4.453
68 1HZ LYS 10 1HZ LYS 10 0.757 12.391 3.830
69 2HZ LYS 10 2HZ LYS 10 0.727 12.250 5.472
70 3HZ LYS 10 3HZ LYS 10 2.061 11.774 4.629
71 H TYR 11 H TYR 11 -0.679 5.153 3.051
72 HA TYR 11 HA TYR 11 1.624 3.609 2.009
73 1HB TYR 11 1HB TYR 11 0.123 1.705 2.209
74 2HB TYR 11 2HB TYR 11 0.530 2.537 3.709
75 HD1 TYR 11 HD1 TYR 11 -1.136 3.188 5.230
76 HD2 TYR 11 HD2 TYR 11 -2.251 2.135 1.196
77 HE1 TYR 11 HE1 TYR 11 -3.491 2.975 5.930
78 HE2 TYR 11 HE2 TYR 11 -4.625 2.039 1.882
79 HH TYR 11 HH TYR 11 -5.657 2.620 5.265
80 H LEU 12 H LEU 12 0.351 5.826 0.600
81 HA LEU 12 HA LEU 12 -0.094 4.451 -1.968
82 1HB LEU 12 1HB LEU 12 -2.103 5.554 -1.326
83 2HB LEU 12 2HB LEU 12 -1.212 6.975 -0.769
84 HG LEU 12 HG LEU 12 -0.626 7.619 -3.026
85 1HD1 LEU 12 1HD2 LEU 12 -0.533 5.373 -4.131
86 2HD1 LEU 12 2HD2 LEU 12 -2.281 5.186 -3.894
87 3HD1 LEU 12 3HD2 LEU 12 -1.655 6.438 -4.985
88 1HD2 LEU 12 1HD1 LEU 12 -3.598 7.023 -2.727
89 2HD2 LEU 12 2HD1 LEU 12 -2.739 8.431 -2.065
90 3HD2 LEU 12 3HD1 LEU 12 -2.879 8.226 -3.819
91 H ASP 13 H ASP 13 1.454 7.033 -0.030
92 HA ASP 13 HA ASP 13 3.106 8.149 -2.041
93 1HB ASP 13 1HB ASP 13 2.578 9.152 0.168
94 2HB ASP 13 2HB ASP 13 3.525 7.893 0.967
95 H SER 14 H SER 14 5.485 7.893 -2.152
96 HA SER 14 HA SER 14 6.021 5.070 -2.651
97 1HB SER 14 1HB SER 14 7.942 5.969 -3.894
98 2HB SER 14 2HB SER 14 6.357 6.585 -4.427
99 HG SER 14 HG SER 14 8.137 7.927 -2.666
100 H ARG 15 H ARG 15 6.298 4.329 -0.609
101 HA ARG 15 HA ARG 15 8.959 3.920 0.173
102 1HB ARG 15 1HB ARG 15 9.081 6.079 1.163
103 2HB ARG 15 2HB ARG 15 7.417 6.009 1.750
104 1HG ARG 15 1HG ARG 15 9.001 5.819 3.567
105 2HG ARG 15 2HG ARG 15 7.991 4.378 3.449
106 1HD ARG 15 1HD ARG 15 9.831 3.143 2.350
107 2HD ARG 15 2HD ARG 15 10.847 4.585 2.388
108 HE ARG 15 HE ARG 15 10.229 2.719 4.540
109 1HH1 ARG 15 1HH1 ARG 15 11.287 6.061 3.892
110 2HH1 ARG 15 2HH1 ARG 15 12.051 6.231 5.454
111 1HH2 ARG 15 1HH2 ARG 15 11.230 2.987 6.563
112 2HH2 ARG 15 2HH2 ARG 15 12.017 4.495 6.966
113 H ARG 16 H ARG 16 5.699 4.376 1.469
114 HA ARG 16 HA ARG 16 5.748 1.888 3.052
115 1HB ARG 16 1HB ARG 16 3.759 4.083 2.502
116 2HB ARG 16 2HB ARG 16 3.271 2.612 3.377
117 1HG ARG 16 1HG ARG 16 4.586 3.027 5.188
118 2HG ARG 16 2HG ARG 16 5.784 3.972 4.286
119 1HD ARG 16 1HD ARG 16 2.969 4.954 4.837
120 2HD ARG 16 2HD ARG 16 4.343 5.332 5.883
121 HE ARG 16 HE ARG 16 3.748 6.433 3.235
122 1HH1 ARG 16 1HH1 ARG 16 6.360 5.888 5.605
123 2HH1 ARG 16 2HH1 ARG 16 7.342 7.188 4.975
124 1HH2 ARG 16 1HH2 ARG 16 5.068 8.124 2.455
125 2HH2 ARG 16 2HH2 ARG 16 6.614 8.448 3.200
126 H ALA 17 H ALA 17 4.000 3.167 0.182
127 HA ALA 17 HA ALA 17 2.704 0.771 -0.568
128 1HB ALA 17 1HB ALA 17 2.199 2.960 -1.539
129 2HB ALA 17 2HB ALA 17 3.810 3.034 -2.272
130 3HB ALA 17 3HB ALA 17 2.646 1.802 -2.813
131 H GLN 18 H GLN 18 6.085 1.889 -1.047
132 HA GLN 18 HA GLN 18 6.691 -0.192 -2.989
133 1HB GLN 18 1HB GLN 18 8.713 1.341 -1.302
134 2HB GLN 18 2HB GLN 18 8.971 0.505 -2.836
135 1HG GLN 18 1HG GLN 18 7.556 3.113 -2.318
136 2HG GLN 18 2HG GLN 18 8.965 2.820 -3.332
137 1HE2 GLN 18 2HE2 GLN 18 5.591 3.156 -3.213
138 2HE2 GLN 18 1HE2 GLN 18 5.206 2.671 -4.858
139 H ASP 19 H ASP 19 7.096 0.230 0.511
140 HA ASP 19 HA ASP 19 8.642 -2.130 0.988
141 1HB ASP 19 1HB ASP 19 8.485 -0.282 2.594
142 2HB ASP 19 2HB ASP 19 6.751 -0.566 2.798
143 H PHE 20 H PHE 20 5.136 -1.423 1.047
144 HA PHE 20 HA PHE 20 4.273 -4.032 1.814
145 1HB PHE 20 1HB PHE 20 2.848 -1.808 0.320
146 2HB PHE 20 2HB PHE 20 2.078 -3.253 0.976
147 HD1 PHE 20 HD1 PHE 20 0.759 -1.020 1.763
148 HD2 PHE 20 HD2 PHE 20 4.474 -2.439 3.466
149 HE1 PHE 20 HE1 PHE 20 0.188 0.020 3.943
150 HE2 PHE 20 HE2 PHE 20 3.963 -1.267 5.550
151 HZ PHE 20 HZ PHE 20 1.819 -0.037 5.814
152 H VAL 21 H VAL 21 4.889 -2.539 -1.429
153 HA VAL 21 HA VAL 21 3.875 -4.848 -2.837
154 HB VAL 21 HB VAL 21 5.646 -2.510 -3.618
155 1HG1 VAL 21 1HG1 VAL 21 6.469 -4.349 -5.003
156 2HG1 VAL 21 2HG1 VAL 21 4.806 -4.856 -5.378
157 3HG1 VAL 21 3HG1 VAL 21 5.433 -3.308 -5.982
158 1HG2 VAL 21 1HG2 VAL 21 3.123 -2.229 -3.317
159 2HG2 VAL 21 2HG2 VAL 21 3.708 -1.875 -4.952
160 3HG2 VAL 21 3HG2 VAL 21 2.900 -3.417 -4.606
161 H GLN 22 H GLN 22 7.194 -3.844 -1.898
162 HA GLN 22 HA GLN 22 8.556 -6.070 -2.885
163 1HB GLN 22 1HB GLN 22 9.634 -4.038 -2.027
164 2HB GLN 22 2HB GLN 22 9.082 -4.405 -0.387
165 1HG GLN 22 1HG GLN 22 11.436 -4.958 -0.672
166 2HG GLN 22 2HG GLN 22 10.507 -6.411 -0.316
167 1HE2 GLN 22 2HE2 GLN 22 10.214 -8.000 -2.006
168 2HE2 GLN 22 1HE2 GLN 22 11.211 -7.984 -3.451
169 H TRP 23 H TRP 23 6.571 -5.744 0.086
170 HA TRP 23 HA TRP 23 7.575 -8.140 1.357
171 1HB TRP 23 1HB TRP 23 6.665 -6.470 2.773
172 2HB TRP 23 2HB TRP 23 5.254 -6.237 1.748
173 HD1 TRP 23 HD1 TRP 23 6.704 -8.964 3.972
174 HE1 TRP 23 HE1 TRP 23 4.722 -10.367 4.988
175 HE3 TRP 23 HE3 TRP 23 2.899 -6.865 1.419
176 HZ2 TRP 23 HZ2 TRP 23 1.899 -10.562 4.605
177 HZ3 TRP 23 HZ3 TRP 23 0.551 -7.700 1.679
178 HH2 TRP 23 HH2 TRP 23 0.061 -9.545 3.279
179 H LEU 24 H LEU 24 4.510 -7.220 -0.214
180 HA LEU 24 HA LEU 24 3.199 -9.627 -0.362
181 1HB LEU 24 1HB LEU 24 2.287 -7.423 -0.968
182 2HB LEU 24 2HB LEU 24 3.316 -7.376 -2.402
183 HG LEU 24 HG LEU 24 2.101 -9.316 -3.360
184 1HD1 LEU 24 1HD2 LEU 24 0.386 -9.095 -0.841
185 2HD1 LEU 24 2HD2 LEU 24 -0.050 -10.029 -2.287
186 3HD1 LEU 24 3HD2 LEU 24 1.362 -10.497 -1.337
187 1HD2 LEU 24 1HD1 LEU 24 0.288 -7.050 -2.437
188 2HD2 LEU 24 2HD1 LEU 24 1.376 -7.008 -3.842
189 3HD2 LEU 24 3HD1 LEU 24 0.001 -8.127 -3.821
190 H MET 25 H MET 25 5.741 -8.370 -2.473
191 HA MET 25 HA MET 25 5.655 -10.450 -4.461
192 1HB MET 25 1HB MET 25 7.714 -8.386 -3.639
193 2HB MET 25 2HB MET 25 8.057 -9.583 -4.890
194 1HG MET 25 1HG MET 25 5.653 -7.719 -5.000
195 2HG MET 25 2HG MET 25 7.220 -7.354 -5.733
196 1HE MET 25 1HE MET 25 4.891 -8.033 -8.796
197 2HE MET 25 2HE MET 25 4.426 -7.284 -7.252
198 3HE MET 25 3HE MET 25 5.988 -6.878 -8.004
199 H ASN 26 H ASN 26 7.872 -9.895 -1.644
200 HA ASN 26 HA ASN 26 9.379 -12.262 -1.980
201 1HB ASN 26 1HB ASN 26 8.686 -10.751 0.582
202 2HB ASN 26 2HB ASN 26 9.906 -12.022 0.457
203 1HD2 ASN 26 2HD2 ASN 26 11.240 -11.418 -1.933
204 2HD2 ASN 26 1HD2 ASN 26 12.023 -9.863 -1.748
205 H THR 27 H THR 27 6.312 -11.733 -0.196
206 HA THR 27 HA THR 27 6.206 -14.406 0.864
207 HB THR 27 HB THR 27 3.848 -13.787 1.388
208 HG1 THR 27 HG1 THR 27 3.576 -12.349 -0.436
209 1HG2 THR 27 1HG2 THR 27 5.732 -13.208 2.911
210 2HG2 THR 27 2HG2 THR 27 5.917 -11.648 2.090
211 3HG2 THR 27 3HG2 THR 27 4.420 -12.010 2.966
212 1HN NH2 28 1H NH2 28 4.781 -12.841 -2.070
213 2HN NH2 28 2H NH2 28 4.281 -14.351 -2.801
Start of MODEL 4
1 1H SER 1 1H SER 1 -7.926 -4.390 6.687
2 2H SER 1 2H SER 1 -8.390 -2.891 7.202
3 3H SER 1 3H SER 1 -7.451 -3.841 8.169
4 HA SER 1 HA SER 1 -9.165 -5.425 8.422
5 1HB SER 1 1HB SER 1 -10.768 -4.025 9.730
6 2HB SER 1 2HB SER 1 -9.063 -3.703 10.096
7 HG SER 1 HG SER 1 -10.269 -1.782 9.821
8 H GLN 2 H GLN 2 -10.597 -2.511 6.890
9 HA GLN 2 HA GLN 2 -12.945 -3.896 5.971
10 1HB GLN 2 1HB GLN 2 -11.779 -1.230 5.112
11 2HB GLN 2 2HB GLN 2 -13.422 -1.788 4.797
12 1HG GLN 2 1HG GLN 2 -13.983 -1.731 7.144
13 2HG GLN 2 2HG GLN 2 -12.311 -1.395 7.613
14 1HE2 GLN 2 2HE2 GLN 2 -11.288 0.612 6.688
15 2HE2 GLN 2 1HE2 GLN 2 -12.301 2.035 6.543
16 H GLY 3 H GLY 3 -9.863 -2.929 4.446
17 1HA GLY 3 1HA GLY 3 -8.849 -3.640 2.505
18 2HA GLY 3 2HA GLY 3 -10.180 -4.771 2.204
19 H THR 4 H THR 4 -9.990 -1.230 2.694
20 HA THR 4 HA THR 4 -11.161 -0.646 0.028
21 HB THR 4 HB THR 4 -12.754 0.901 1.110
22 HG1 THR 4 HG1 THR 4 -12.971 0.763 3.399
23 1HG2 THR 4 1HG2 THR 4 -13.044 -1.863 2.342
24 2HG2 THR 4 2HG2 THR 4 -14.315 -0.667 2.053
25 3HG2 THR 4 3HG2 THR 4 -13.491 -1.428 0.679
26 H THR 5 H THR 5 -11.337 2.068 0.299
27 HA THR 5 HA THR 5 -8.896 3.117 -0.260
28 HB THR 5 HB THR 5 -11.174 4.564 1.140
29 HG1 THR 5 HG1 THR 5 -11.920 4.813 -1.014
30 1HG2 THR 5 1HG2 THR 5 -9.146 5.963 0.828
31 2HG2 THR 5 2HG2 THR 5 -9.094 5.505 -0.891
32 3HG2 THR 5 3HG2 THR 5 -10.443 6.473 -0.264
33 H SER 6 H SER 6 -10.383 3.079 3.002
34 HA SER 6 HA SER 6 -8.526 4.520 4.449
35 1HB SER 6 1HB SER 6 -9.962 1.976 5.307
36 2HB SER 6 2HB SER 6 -9.262 3.195 6.388
37 HG SER 6 HG SER 6 -11.381 3.576 4.533
38 H GLU 7 H GLU 7 -8.304 1.087 3.453
39 HA GLU 7 HA GLU 7 -5.803 0.641 4.896
40 1HB GLU 7 1HB GLU 7 -7.425 -1.105 2.986
41 2HB GLU 7 2HB GLU 7 -5.918 -1.573 3.765
42 1HG GLU 7 1HG GLU 7 -7.696 -2.509 5.022
43 2HG GLU 7 2HG GLU 7 -6.912 -1.257 5.997
44 H TYR 8 H TYR 8 -6.774 0.408 1.397
45 HA TYR 8 HA TYR 8 -4.103 0.011 0.619
46 1HB TYR 8 1HB TYR 8 -4.747 0.101 -1.622
47 2HB TYR 8 2HB TYR 8 -5.969 -0.759 -0.703
48 HD1 TYR 8 HD1 TYR 8 -5.187 2.633 -2.202
49 HD2 TYR 8 HD2 TYR 8 -8.201 -0.259 -1.141
50 HE1 TYR 8 HE1 TYR 8 -6.905 4.012 -3.318
51 HE2 TYR 8 HE2 TYR 8 -9.902 1.064 -2.366
52 HH TYR 8 HH TYR 8 -10.350 3.043 -3.464
53 H SER 9 H SER 9 -5.852 3.111 0.895
54 HA SER 9 HA SER 9 -4.170 4.709 -0.643
55 1HB SER 9 1HB SER 9 -5.589 5.417 1.945
56 2HB SER 9 2HB SER 9 -4.851 6.576 0.822
57 HG SER 9 HG SER 9 -6.953 4.768 0.264
58 H LYS 10 H LYS 10 -3.487 3.239 2.518
59 HA LYS 10 HA LYS 10 -1.171 4.841 3.105
60 1HB LYS 10 1HB LYS 10 -1.825 2.038 4.059
61 2HB LYS 10 2HB LYS 10 -0.753 3.217 4.815
62 1HG LYS 10 1HG LYS 10 -3.798 3.374 4.615
63 2HG LYS 10 2HG LYS 10 -2.815 3.025 6.025
64 1HD LYS 10 1HD LYS 10 -3.372 5.189 6.411
65 2HD LYS 10 2HD LYS 10 -1.779 5.398 5.680
66 1HE LYS 10 1HE LYS 10 -2.828 6.157 3.579
67 2HE LYS 10 2HE LYS 10 -4.419 5.619 4.138
68 1HZ LYS 10 1HZ LYS 10 -2.801 7.764 5.307
69 2HZ LYS 10 2HZ LYS 10 -4.116 7.958 4.330
70 3HZ LYS 10 3HZ LYS 10 -4.293 7.291 5.828
71 H TYR 11 H TYR 11 -1.592 1.478 1.757
72 HA TYR 11 HA TYR 11 1.235 1.513 0.950
73 1HB TYR 11 1HB TYR 11 0.822 -0.860 0.413
74 2HB TYR 11 2HB TYR 11 0.717 -0.398 2.108
75 HD1 TYR 11 HD1 TYR 11 -1.188 -1.710 -0.783
76 HD2 TYR 11 HD2 TYR 11 -1.356 -0.540 3.366
77 HE1 TYR 11 HE1 TYR 11 -3.285 -2.986 -0.506
78 HE2 TYR 11 HE2 TYR 11 -3.431 -1.852 3.649
79 HH TYR 11 HH TYR 11 -4.982 -3.227 2.639
80 H LEU 12 H LEU 12 -0.155 3.356 -0.274
81 HA LEU 12 HA LEU 12 -0.189 2.513 -3.085
82 1HB LEU 12 1HB LEU 12 -2.459 2.699 -2.437
83 2HB LEU 12 2HB LEU 12 -2.172 4.198 -1.551
84 HG LEU 12 HG LEU 12 -3.500 4.445 -3.556
85 1HD1 LEU 12 1HD1 LEU 12 -2.110 6.349 -2.697
86 2HD1 LEU 12 2HD1 LEU 12 -0.944 6.011 -3.999
87 3HD1 LEU 12 3HD1 LEU 12 -2.604 6.447 -4.395
88 1HD2 LEU 12 1HD2 LEU 12 -2.420 2.708 -4.961
89 2HD2 LEU 12 2HD2 LEU 12 -2.528 4.263 -5.809
90 3HD2 LEU 12 3HD2 LEU 12 -0.978 3.734 -5.125
91 H ASP 13 H ASP 13 -0.119 5.081 -0.659
92 HA ASP 13 HA ASP 13 0.778 7.321 -1.762
93 1HB ASP 13 1HB ASP 13 0.128 6.991 0.543
94 2HB ASP 13 2HB ASP 13 1.593 6.072 0.866
95 H SER 14 H SER 14 3.390 5.980 0.039
96 HA SER 14 HA SER 14 5.263 6.272 -2.270
97 1HB SER 14 1HB SER 14 5.451 7.800 0.359
98 2HB SER 14 2HB SER 14 6.663 7.806 -0.948
99 HG SER 14 HG SER 14 5.207 9.573 -1.042
100 H ARG 15 H ARG 15 6.880 6.337 0.717
101 HA ARG 15 HA ARG 15 8.443 4.161 0.172
102 1HB ARG 15 1HB ARG 15 8.883 5.970 1.799
103 2HB ARG 15 2HB ARG 15 7.752 5.247 2.941
104 1HG ARG 15 1HG ARG 15 10.298 3.921 1.880
105 2HG ARG 15 2HG ARG 15 10.150 4.813 3.394
106 1HD ARG 15 1HD ARG 15 8.301 3.077 4.035
107 2HD ARG 15 2HD ARG 15 8.950 2.117 2.701
108 HE ARG 15 HE ARG 15 10.807 1.601 3.867
109 1HH1 ARG 15 1HH1 ARG 15 9.181 4.275 5.572
110 2HH1 ARG 15 2HH1 ARG 15 10.196 4.128 6.987
111 1HH2 ARG 15 1HH2 ARG 15 12.110 1.450 5.725
112 2HH2 ARG 15 2HH2 ARG 15 11.857 2.535 7.072
113 H ARG 16 H ARG 16 5.769 4.182 2.575
114 HA ARG 16 HA ARG 16 5.882 1.479 3.270
115 1HB ARG 16 1HB ARG 16 3.589 1.788 4.119
116 2HB ARG 16 2HB ARG 16 4.700 3.078 4.605
117 1HG ARG 16 1HG ARG 16 3.778 4.556 2.835
118 2HG ARG 16 2HG ARG 16 2.694 3.251 2.328
119 1HD ARG 16 1HD ARG 16 1.507 3.333 4.433
120 2HD ARG 16 2HD ARG 16 2.720 4.423 5.134
121 HE ARG 16 HE ARG 16 1.245 5.293 2.722
122 1HH1 ARG 16 1HH1 ARG 16 1.533 5.614 6.268
123 2HH1 ARG 16 2HH1 ARG 16 0.640 7.114 6.297
124 1HH2 ARG 16 1HH2 ARG 16 0.127 7.256 2.815
125 2HH2 ARG 16 2HH2 ARG 16 -0.165 8.039 4.352
126 H ALA 17 H ALA 17 4.383 2.973 0.414
127 HA ALA 17 HA ALA 17 2.865 0.640 -0.356
128 1HB ALA 17 1HB ALA 17 3.802 2.902 -2.154
129 2HB ALA 17 2HB ALA 17 2.424 1.819 -2.372
130 3HB ALA 17 3HB ALA 17 2.422 3.024 -1.059
131 H GLN 18 H GLN 18 6.103 1.964 -1.285
132 HA GLN 18 HA GLN 18 6.636 -0.116 -3.178
133 1HB GLN 18 1HB GLN 18 8.793 1.311 -1.578
134 2HB GLN 18 2HB GLN 18 8.887 0.612 -3.195
135 1HG GLN 18 1HG GLN 18 7.675 3.216 -2.298
136 2HG GLN 18 2HG GLN 18 8.876 2.923 -3.542
137 1HE2 GLN 18 2HE2 GLN 18 5.672 3.722 -3.044
138 2HE2 GLN 18 1HE2 GLN 18 5.022 3.275 -4.609
139 H ASP 19 H ASP 19 7.310 0.208 0.297
140 HA ASP 19 HA ASP 19 8.818 -2.180 0.645
141 1HB ASP 19 1HB ASP 19 8.774 -0.340 2.267
142 2HB ASP 19 2HB ASP 19 7.054 -0.614 2.576
143 H PHE 20 H PHE 20 5.313 -1.450 1.004
144 HA PHE 20 HA PHE 20 4.439 -4.037 1.707
145 1HB PHE 20 1HB PHE 20 3.086 -2.018 1.917
146 2HB PHE 20 2HB PHE 20 3.026 -1.842 0.163
147 HD1 PHE 20 HD1 PHE 20 1.659 -3.385 -1.207
148 HD2 PHE 20 HD2 PHE 20 1.722 -3.628 3.094
149 HE1 PHE 20 HE1 PHE 20 -0.403 -4.776 -1.254
150 HE2 PHE 20 HE2 PHE 20 -0.361 -4.984 3.046
151 HZ PHE 20 HZ PHE 20 -1.421 -5.562 0.873
152 H VAL 21 H VAL 21 5.027 -2.558 -1.555
153 HA VAL 21 HA VAL 21 3.973 -4.850 -2.949
154 HB VAL 21 HB VAL 21 5.719 -2.501 -3.762
155 1HG1 VAL 21 1HG2 VAL 21 6.470 -4.299 -5.214
156 2HG1 VAL 21 2HG2 VAL 21 4.792 -4.812 -5.522
157 3HG1 VAL 21 3HG2 VAL 21 5.384 -3.251 -6.129
158 1HG2 VAL 21 1HG1 VAL 21 2.914 -3.366 -4.608
159 2HG2 VAL 21 2HG1 VAL 21 3.236 -2.177 -3.338
160 3HG2 VAL 21 3HG1 VAL 21 3.725 -1.838 -5.006
161 H GLN 22 H GLN 22 7.294 -3.891 -2.019
162 HA GLN 22 HA GLN 22 8.638 -6.106 -3.101
163 1HB GLN 22 1HB GLN 22 9.631 -3.989 -2.124
164 2HB GLN 22 2HB GLN 22 9.273 -4.624 -0.513
165 1HG GLN 22 1HG GLN 22 11.567 -5.085 -0.992
166 2HG GLN 22 2HG GLN 22 10.708 -6.625 -1.032
167 1HE2 GLN 22 2HE2 GLN 22 11.882 -3.947 -3.155
168 2HE2 GLN 22 1HE2 GLN 22 12.207 -4.960 -4.546
169 H TRP 23 H TRP 23 6.736 -5.789 -0.094
170 HA TRP 23 HA TRP 23 7.670 -8.242 1.125
171 1HB TRP 23 1HB TRP 23 6.836 -6.587 2.597
172 2HB TRP 23 2HB TRP 23 5.427 -6.266 1.593
173 HD1 TRP 23 HD1 TRP 23 6.779 -9.131 3.701
174 HE1 TRP 23 HE1 TRP 23 4.752 -10.479 4.700
175 HE3 TRP 23 HE3 TRP 23 3.044 -6.802 1.255
176 HZ2 TRP 23 HZ2 TRP 23 1.917 -10.527 4.362
177 HZ3 TRP 23 HZ3 TRP 23 0.668 -7.554 1.506
178 HH2 TRP 23 HH2 TRP 23 0.111 -9.399 3.082
179 H LEU 24 H LEU 24 4.648 -7.197 -0.433
180 HA LEU 24 HA LEU 24 3.202 -9.528 -0.544
181 1HB LEU 24 1HB LEU 24 2.420 -7.272 -1.171
182 2HB LEU 24 2HB LEU 24 3.426 -7.322 -2.622
183 HG LEU 24 HG LEU 24 2.076 -9.209 -3.509
184 1HD1 LEU 24 1HD1 LEU 24 0.415 -8.796 -0.977
185 2HD1 LEU 24 2HD1 LEU 24 -0.105 -9.738 -2.389
186 3HD1 LEU 24 3HD1 LEU 24 1.284 -10.277 -1.444
187 1HD2 LEU 24 1HD2 LEU 24 0.432 -6.799 -2.629
188 2HD2 LEU 24 2HD2 LEU 24 1.502 -6.867 -4.046
189 3HD2 LEU 24 3HD2 LEU 24 0.056 -7.890 -3.980
190 H MET 25 H MET 25 5.750 -8.387 -2.719
191 HA MET 25 HA MET 25 5.634 -10.523 -4.641
192 1HB MET 25 1HB MET 25 7.811 -8.568 -3.822
193 2HB MET 25 2HB MET 25 8.074 -9.817 -5.046
194 1HG MET 25 1HG MET 25 6.448 -8.914 -6.506
195 2HG MET 25 2HG MET 25 5.745 -7.893 -5.255
196 1HE MET 25 1HE MET 25 9.687 -8.258 -5.881
197 2HE MET 25 2HE MET 25 8.925 -8.520 -7.471
198 3HE MET 25 3HE MET 25 9.883 -7.054 -7.168
199 H ASN 26 H ASN 26 7.906 -9.940 -1.883
200 HA ASN 26 HA ASN 26 8.869 -12.709 -2.024
201 1HB ASN 26 1HB ASN 26 9.614 -10.377 -0.225
202 2HB ASN 26 2HB ASN 26 10.384 -11.970 -0.207
203 1HD2 ASN 26 2HD2 ASN 26 9.926 -9.025 -2.141
204 2HD2 ASN 26 1HD2 ASN 26 11.258 -9.319 -3.232
205 H THR 27 H THR 27 6.268 -12.972 -1.561
206 HA THR 27 HA THR 27 6.318 -14.545 0.802
207 HB THR 27 HB THR 27 5.779 -12.259 1.794
208 HG1 THR 27 HG1 THR 27 4.242 -13.209 3.150
209 1HG2 THR 27 1HG2 THR 27 4.132 -11.547 0.029
210 2HG2 THR 27 2HG2 THR 27 2.990 -12.740 0.683
211 3HG2 THR 27 3HG2 THR 27 3.555 -11.403 1.695
212 1HN NH2 28 1H NH2 28 4.245 -12.960 -1.702
213 2HN NH2 28 2H NH2 28 3.349 -14.415 -2.069
Start of MODEL 5
1 1H SER 1 1H SER 1 -11.427 0.786 -2.757
2 2H SER 1 2H SER 1 -12.578 -0.385 -2.909
3 3H SER 1 3H SER 1 -12.980 1.200 -3.128
4 HA SER 1 HA SER 1 -12.517 1.718 -0.881
5 1HB SER 1 1HB SER 1 -14.448 -0.613 -1.205
6 2HB SER 1 2HB SER 1 -14.379 0.492 0.183
7 HG SER 1 HG SER 1 -14.896 1.198 -2.518
8 H GLN 2 H GLN 2 -12.393 -1.844 -1.375
9 HA GLN 2 HA GLN 2 -11.392 -3.513 -0.257
10 1HB GLN 2 1HB GLN 2 -9.372 -2.162 -1.105
11 2HB GLN 2 2HB GLN 2 -9.232 -1.535 0.542
12 1HG GLN 2 1HG GLN 2 -9.301 -4.130 1.193
13 2HG GLN 2 2HG GLN 2 -8.847 -4.350 -0.498
14 1HE2 GLN 2 2HE2 GLN 2 -7.957 -2.746 2.580
15 2HE2 GLN 2 1HE2 GLN 2 -6.234 -2.665 2.246
16 H GLY 3 H GLY 3 -13.453 -2.738 1.121
17 1HA GLY 3 1HA GLY 3 -14.378 -2.876 3.227
18 2HA GLY 3 2HA GLY 3 -12.769 -2.961 3.961
19 H THR 4 H THR 4 -11.459 -0.878 3.780
20 HA THR 4 HA THR 4 -13.084 1.612 3.847
21 HB THR 4 HB THR 4 -11.000 0.831 5.927
22 HG1 THR 4 HG1 THR 4 -12.803 0.678 7.305
23 1HG2 THR 4 1HG2 THR 4 -12.922 3.198 5.763
24 2HG2 THR 4 2HG2 THR 4 -11.842 2.833 7.125
25 3HG2 THR 4 3HG2 THR 4 -11.159 3.275 5.554
26 H THR 5 H THR 5 -12.085 3.233 2.766
27 HA THR 5 HA THR 5 -10.033 2.724 0.985
28 HB THR 5 HB THR 5 -9.922 5.216 0.702
29 HG1 THR 5 HG1 THR 5 -11.851 5.229 2.784
30 1HG2 THR 5 1HG2 THR 5 -12.747 4.067 0.869
31 2HG2 THR 5 2HG2 THR 5 -12.247 5.510 -0.034
32 3HG2 THR 5 3HG2 THR 5 -11.629 3.918 -0.504
33 H SER 6 H SER 6 -9.806 4.266 4.164
34 HA SER 6 HA SER 6 -7.274 5.185 4.348
35 1HB SER 6 1HB SER 6 -8.699 3.541 6.475
36 2HB SER 6 2HB SER 6 -7.461 4.786 6.738
37 HG SER 6 HG SER 6 -8.925 6.281 5.762
38 H GLU 7 H GLU 7 -8.198 1.729 4.387
39 HA GLU 7 HA GLU 7 -5.810 0.626 5.407
40 1HB GLU 7 1HB GLU 7 -7.787 -0.490 3.376
41 2HB GLU 7 2HB GLU 7 -6.514 -1.419 4.192
42 1HG GLU 7 1HG GLU 7 -7.523 -1.052 6.360
43 2HG GLU 7 2HG GLU 7 -8.712 0.070 5.684
44 H TYR 8 H TYR 8 -6.794 0.834 1.915
45 HA TYR 8 HA TYR 8 -4.162 0.168 1.028
46 1HB TYR 8 1HB TYR 8 -4.901 0.567 -1.180
47 2HB TYR 8 2HB TYR 8 -6.141 -0.313 -0.302
48 HD1 TYR 8 HD1 TYR 8 -5.178 3.143 -1.497
49 HD2 TYR 8 HD2 TYR 8 -8.367 0.468 -0.378
50 HE1 TYR 8 HE1 TYR 8 -6.839 4.825 -2.205
51 HE2 TYR 8 HE2 TYR 8 -10.018 2.055 -1.333
52 HH TYR 8 HH TYR 8 -9.070 5.288 -2.545
53 H SER 9 H SER 9 -5.749 3.262 1.695
54 HA SER 9 HA SER 9 -4.252 5.029 0.228
55 1HB SER 9 1HB SER 9 -5.291 5.406 3.053
56 2HB SER 9 2HB SER 9 -4.755 6.703 1.972
57 HG SER 9 HG SER 9 -6.842 4.866 1.409
58 H LYS 10 H LYS 10 -3.135 3.276 3.110
59 HA LYS 10 HA LYS 10 -0.743 4.863 3.503
60 1HB LYS 10 1HB LYS 10 -1.256 1.973 4.273
61 2HB LYS 10 2HB LYS 10 -0.029 3.064 4.926
62 1HG LYS 10 1HG LYS 10 -3.052 3.230 5.307
63 2HG LYS 10 2HG LYS 10 -1.828 2.782 6.479
64 1HD LYS 10 1HD LYS 10 -2.268 4.900 7.146
65 2HD LYS 10 2HD LYS 10 -0.866 5.197 6.113
66 1HE LYS 10 1HE LYS 10 -2.344 6.085 4.344
67 2HE LYS 10 2HE LYS 10 -3.777 5.493 5.196
68 1HZ LYS 10 1HZ LYS 10 -1.936 7.566 6.141
69 2HZ LYS 10 2HZ LYS 10 -3.431 7.813 5.490
70 3HZ LYS 10 3HZ LYS 10 -3.280 7.036 6.937
71 H TYR 11 H TYR 11 -1.297 1.620 1.955
72 HA TYR 11 HA TYR 11 1.404 1.745 0.810
73 1HB TYR 11 1HB TYR 11 0.902 -0.594 0.126
74 2HB TYR 11 2HB TYR 11 0.987 -0.273 1.852
75 HD1 TYR 11 HD1 TYR 11 -0.940 -0.507 3.306
76 HD2 TYR 11 HD2 TYR 11 -1.258 -1.249 -0.931
77 HE1 TYR 11 HE1 TYR 11 -2.964 -1.885 3.693
78 HE2 TYR 11 HE2 TYR 11 -3.307 -2.577 -0.544
79 HH TYR 11 HH TYR 11 -4.754 -3.450 1.017
80 H LEU 12 H LEU 12 -0.268 3.642 -0.070
81 HA LEU 12 HA LEU 12 -0.642 3.047 -2.927
82 1HB LEU 12 1HB LEU 12 -2.758 3.210 -1.885
83 2HB LEU 12 2HB LEU 12 -2.291 4.621 -0.941
84 HG LEU 12 HG LEU 12 -3.955 5.005 -2.682
85 1HD1 LEU 12 1HD2 LEU 12 -1.529 6.719 -3.269
86 2HD1 LEU 12 2HD2 LEU 12 -3.238 7.117 -3.413
87 3HD1 LEU 12 3HD2 LEU 12 -2.534 6.853 -1.810
88 1HD2 LEU 12 1HD1 LEU 12 -3.353 5.107 -5.052
89 2HD2 LEU 12 2HD1 LEU 12 -1.705 4.561 -4.692
90 3HD2 LEU 12 3HD1 LEU 12 -3.082 3.474 -4.414
91 H ASP 13 H ASP 13 0.489 5.080 -0.277
92 HA ASP 13 HA ASP 13 1.244 7.394 -1.767
93 1HB ASP 13 1HB ASP 13 0.449 7.216 0.600
94 2HB ASP 13 2HB ASP 13 1.941 6.387 1.023
95 H SER 14 H SER 14 3.958 7.269 -0.052
96 HA SER 14 HA SER 14 5.497 6.380 -2.402
97 1HB SER 14 1HB SER 14 7.293 7.717 -1.360
98 2HB SER 14 2HB SER 14 5.814 8.630 -1.703
99 HG SER 14 HG SER 14 6.587 9.096 0.370
100 H ARG 15 H ARG 15 7.039 6.462 0.691
101 HA ARG 15 HA ARG 15 8.588 4.253 0.300
102 1HB ARG 15 1HB ARG 15 8.943 5.992 1.980
103 2HB ARG 15 2HB ARG 15 7.642 5.355 2.982
104 1HG ARG 15 1HG ARG 15 10.176 3.812 2.246
105 2HG ARG 15 2HG ARG 15 9.958 4.788 3.704
106 1HD ARG 15 1HD ARG 15 7.934 3.297 4.257
107 2HD ARG 15 2HD ARG 15 8.558 2.190 3.009
108 HE ARG 15 HE ARG 15 10.672 2.836 4.757
109 1HH1 ARG 15 1HH1 ARG 15 7.619 1.005 4.712
110 2HH1 ARG 15 2HH1 ARG 15 8.174 -0.166 5.884
111 1HH2 ARG 15 1HH2 ARG 15 11.365 1.285 6.288
112 2HH2 ARG 15 2HH2 ARG 15 10.293 -0.007 6.779
113 H ARG 16 H ARG 16 5.728 4.219 2.508
114 HA ARG 16 HA ARG 16 5.975 1.498 3.073
115 1HB ARG 16 1HB ARG 16 3.939 1.601 4.201
116 2HB ARG 16 2HB ARG 16 4.826 3.091 4.498
117 1HG ARG 16 1HG ARG 16 3.031 3.394 2.188
118 2HG ARG 16 2HG ARG 16 2.170 2.739 3.587
119 1HD ARG 16 1HD ARG 16 1.934 5.058 3.741
120 2HD ARG 16 2HD ARG 16 3.149 4.661 4.947
121 HE ARG 16 HE ARG 16 3.521 5.924 2.246
122 1HH1 ARG 16 1HH1 ARG 16 4.994 5.209 5.429
123 2HH1 ARG 16 2HH1 ARG 16 6.290 6.352 5.183
124 1HH2 ARG 16 1HH2 ARG 16 5.233 7.393 1.994
125 2HH2 ARG 16 2HH2 ARG 16 6.427 7.575 3.257
126 H ALA 17 H ALA 17 4.482 3.003 0.262
127 HA ALA 17 HA ALA 17 2.914 0.696 -0.523
128 1HB ALA 17 1HB ALA 17 2.453 3.028 -1.287
129 2HB ALA 17 2HB ALA 17 3.944 2.978 -2.239
130 3HB ALA 17 3HB ALA 17 2.626 1.857 -2.612
131 H GLN 18 H GLN 18 6.207 1.951 -1.315
132 HA GLN 18 HA GLN 18 6.799 -0.159 -3.164
133 1HB GLN 18 1HB GLN 18 8.895 1.253 -1.477
134 2HB GLN 18 2HB GLN 18 9.049 0.545 -3.085
135 1HG GLN 18 1HG GLN 18 7.825 3.166 -2.254
136 2HG GLN 18 2HG GLN 18 9.086 2.861 -3.434
137 1HE2 GLN 18 2HE2 GLN 18 5.840 3.656 -3.094
138 2HE2 GLN 18 1HE2 GLN 18 5.283 3.209 -4.695
139 H ASP 19 H ASP 19 7.244 0.217 0.345
140 HA ASP 19 HA ASP 19 8.717 -2.184 0.797
141 1HB ASP 19 1HB ASP 19 8.612 -0.303 2.385
142 2HB ASP 19 2HB ASP 19 6.889 -0.613 2.652
143 H PHE 20 H PHE 20 5.215 -1.400 0.878
144 HA PHE 20 HA PHE 20 4.261 -3.957 1.630
145 1HB PHE 20 1HB PHE 20 2.942 -1.910 1.728
146 2HB PHE 20 2HB PHE 20 2.966 -1.778 -0.032
147 HD1 PHE 20 HD1 PHE 20 1.546 -3.535 2.884
148 HD2 PHE 20 HD2 PHE 20 1.569 -3.259 -1.418
149 HE1 PHE 20 HE1 PHE 20 -0.567 -4.836 2.787
150 HE2 PHE 20 HE2 PHE 20 -0.530 -4.583 -1.511
151 HZ PHE 20 HZ PHE 20 -1.599 -5.372 0.590
152 H VAL 21 H VAL 21 5.068 -2.564 -1.622
153 HA VAL 21 HA VAL 21 4.040 -4.857 -3.037
154 HB VAL 21 HB VAL 21 5.939 -2.603 -3.784
155 1HG1 VAL 21 1HG1 VAL 21 6.704 -4.496 -5.122
156 2HG1 VAL 21 2HG1 VAL 21 5.029 -4.932 -5.529
157 3HG1 VAL 21 3HG1 VAL 21 5.743 -3.425 -6.144
158 1HG2 VAL 21 1HG2 VAL 21 3.163 -3.376 -4.793
159 2HG2 VAL 21 2HG2 VAL 21 3.453 -2.165 -3.537
160 3HG2 VAL 21 3HG2 VAL 21 4.066 -1.894 -5.177
161 H GLN 22 H GLN 22 7.356 -3.904 -2.126
162 HA GLN 22 HA GLN 22 8.826 -6.161 -2.813
163 1HB GLN 22 1HB GLN 22 9.858 -4.224 -2.015
164 2HB GLN 22 2HB GLN 22 8.949 -4.198 -0.521
165 1HG GLN 22 1HG GLN 22 10.979 -6.330 -1.276
166 2HG GLN 22 2HG GLN 22 11.338 -4.883 -0.298
167 1HE2 GLN 22 2HE2 GLN 22 9.024 -4.774 1.354
168 2HE2 GLN 22 1HE2 GLN 22 8.936 -6.235 2.295
169 H TRP 23 H TRP 23 6.653 -5.743 -0.026
170 HA TRP 23 HA TRP 23 7.495 -8.165 1.303
171 1HB TRP 23 1HB TRP 23 6.681 -6.406 2.665
172 2HB TRP 23 2HB TRP 23 5.283 -6.129 1.634
173 HD1 TRP 23 HD1 TRP 23 6.589 -8.848 3.943
174 HE1 TRP 23 HE1 TRP 23 4.533 -10.104 5.013
175 HE3 TRP 23 HE3 TRP 23 2.903 -6.638 1.319
176 HZ2 TRP 23 HZ2 TRP 23 1.704 -10.167 4.625
177 HZ3 TRP 23 HZ3 TRP 23 0.521 -7.381 1.561
178 HH2 TRP 23 HH2 TRP 23 -0.072 -9.119 3.241
179 H LEU 24 H LEU 24 4.485 -7.152 -0.304
180 HA LEU 24 HA LEU 24 3.049 -9.496 -0.360
181 1HB LEU 24 1HB LEU 24 2.270 -7.251 -1.037
182 2HB LEU 24 2HB LEU 24 3.302 -7.314 -2.468
183 HG LEU 24 HG LEU 24 1.961 -9.206 -3.366
184 1HD1 LEU 24 1HD1 LEU 24 -0.233 -9.736 -2.273
185 2HD1 LEU 24 2HD1 LEU 24 1.146 -10.262 -1.303
186 3HD1 LEU 24 3HD1 LEU 24 0.264 -8.781 -0.861
187 1HD2 LEU 24 1HD2 LEU 24 0.297 -6.799 -2.524
188 2HD2 LEU 24 2HD2 LEU 24 1.391 -6.868 -3.923
189 3HD2 LEU 24 3HD2 LEU 24 -0.052 -7.896 -3.877
190 H MET 25 H MET 25 5.630 -8.425 -2.526
191 HA MET 25 HA MET 25 5.438 -10.594 -4.430
192 1HB MET 25 1HB MET 25 7.567 -8.540 -3.741
193 2HB MET 25 2HB MET 25 7.825 -9.779 -4.974
194 1HG MET 25 1HG MET 25 5.484 -7.830 -5.038
195 2HG MET 25 2HG MET 25 7.026 -7.557 -5.858
196 1HE MET 25 1HE MET 25 5.699 -7.106 -8.084
197 2HE MET 25 2HE MET 25 4.518 -8.241 -8.778
198 3HE MET 25 3HE MET 25 4.163 -7.421 -7.240
199 H ASN 26 H ASN 26 7.764 -9.855 -1.783
200 HA ASN 26 HA ASN 26 9.350 -12.130 -1.967
201 1HB ASN 26 1HB ASN 26 9.916 -10.157 -0.631
202 2HB ASN 26 2HB ASN 26 8.579 -10.486 0.480
203 1HD2 ASN 26 2HD2 ASN 26 11.556 -12.007 -0.885
204 2HD2 ASN 26 1HD2 ASN 26 11.978 -12.872 0.577
205 H THR 27 H THR 27 6.336 -11.661 -0.103
206 HA THR 27 HA THR 27 6.329 -14.293 1.076
207 HB THR 27 HB THR 27 4.000 -13.680 1.702
208 HG1 THR 27 HG1 THR 27 4.580 -11.222 0.406
209 1HG2 THR 27 1HG2 THR 27 4.610 -11.828 3.176
210 2HG2 THR 27 2HG2 THR 27 5.930 -13.015 3.111
211 3HG2 THR 27 3HG2 THR 27 6.066 -11.487 2.224
212 1HN NH2 28 1H NH2 28 4.398 -12.792 -1.614
213 2HN NH2 28 2H NH2 28 4.031 -14.320 -2.389
Start of MODEL 6
1 1H SER 1 1H SER 1 -13.012 14.517 2.026
2 2H SER 1 2H SER 1 -12.595 13.195 1.130
3 3H SER 1 3H SER 1 -11.607 14.516 1.165
4 HA SER 1 HA SER 1 -14.313 14.417 0.063
5 1HB SER 1 1HB SER 1 -12.286 16.693 0.064
6 2HB SER 1 2HB SER 1 -13.855 16.699 -0.768
7 HG SER 1 HG SER 1 -14.835 16.398 1.283
8 H GLN 2 H GLN 2 -10.839 14.817 -0.649
9 HA GLN 2 HA GLN 2 -11.214 14.133 -3.496
10 1HB GLN 2 1HB GLN 2 -8.779 14.559 -3.639
11 2HB GLN 2 2HB GLN 2 -9.776 15.945 -3.218
12 1HG GLN 2 1HG GLN 2 -8.232 14.362 -1.119
13 2HG GLN 2 2HG GLN 2 -7.548 15.716 -2.014
14 1HE2 GLN 2 2HE2 GLN 2 -8.692 17.849 -1.879
15 2HE2 GLN 2 1HE2 GLN 2 -9.474 18.247 -0.364
16 H GLY 3 H GLY 3 -12.060 12.028 -3.017
17 1HA GLY 3 1HA GLY 3 -10.606 10.051 -1.570
18 2HA GLY 3 2HA GLY 3 -12.021 9.797 -2.594
19 H THR 4 H THR 4 -9.010 11.189 -3.808
20 HA THR 4 HA THR 4 -7.947 8.640 -4.783
21 HB THR 4 HB THR 4 -9.394 9.443 -6.618
22 HG1 THR 4 HG1 THR 4 -6.609 9.658 -7.034
23 1HG2 THR 4 1HG2 THR 4 -8.858 11.496 -7.845
24 2HG2 THR 4 2HG2 THR 4 -9.332 11.889 -6.185
25 3HG2 THR 4 3HG2 THR 4 -7.619 11.931 -6.656
26 H THR 5 H THR 5 -7.487 10.974 -2.774
27 HA THR 5 HA THR 5 -4.599 11.203 -3.230
28 HB THR 5 HB THR 5 -6.378 13.643 -2.781
29 HG1 THR 5 HG1 THR 5 -5.050 12.641 -5.058
30 1HG2 THR 5 1HG2 THR 5 -4.270 14.894 -3.136
31 2HG2 THR 5 2HG2 THR 5 -4.148 13.841 -1.716
32 3HG2 THR 5 3HG2 THR 5 -3.372 13.366 -3.243
33 H SER 6 H SER 6 -7.299 12.404 -1.105
34 HA SER 6 HA SER 6 -5.709 12.144 1.283
35 1HB SER 6 1HB SER 6 -7.849 12.532 2.457
36 2HB SER 6 2HB SER 6 -7.504 13.739 1.207
37 HG SER 6 HG SER 6 -9.335 11.582 1.084
38 H GLU 7 H GLU 7 -8.404 10.214 -0.106
39 HA GLU 7 HA GLU 7 -7.760 7.956 1.692
40 1HB GLU 7 1HB GLU 7 -10.128 8.726 1.328
41 2HB GLU 7 2HB GLU 7 -9.989 8.218 -0.358
42 1HG GLU 7 1HG GLU 7 -11.113 6.510 0.955
43 2HG GLU 7 2HG GLU 7 -9.576 5.876 0.375
44 H TYR 8 H TYR 8 -5.572 8.230 0.349
45 HA TYR 8 HA TYR 8 -5.467 6.068 -1.584
46 1HB TYR 8 1HB TYR 8 -6.402 8.007 -2.896
47 2HB TYR 8 2HB TYR 8 -4.962 8.925 -2.498
48 HD1 TYR 8 HD1 TYR 8 -3.255 8.962 -4.113
49 HD2 TYR 8 HD2 TYR 8 -6.026 5.660 -4.015
50 HE1 TYR 8 HE1 TYR 8 -2.434 8.211 -6.309
51 HE2 TYR 8 HE2 TYR 8 -5.159 4.862 -6.181
52 HH TYR 8 HH TYR 8 -2.589 6.619 -7.978
53 H SER 9 H SER 9 -3.724 9.074 -0.673
54 HA SER 9 HA SER 9 -1.156 8.294 -1.281
55 1HB SER 9 1HB SER 9 -2.099 10.248 0.833
56 2HB SER 9 2HB SER 9 -0.434 10.110 0.230
57 HG SER 9 HG SER 9 -2.739 10.743 -1.286
58 H LYS 10 H LYS 10 -2.950 7.294 1.561
59 HA LYS 10 HA LYS 10 -0.905 7.023 3.397
60 1HB LYS 10 1HB LYS 10 -3.177 5.001 3.168
61 2HB LYS 10 2HB LYS 10 -2.281 5.488 4.587
62 1HG LYS 10 1HG LYS 10 -4.214 6.540 4.945
63 2HG LYS 10 2HG LYS 10 -3.240 7.840 4.235
64 1HD LYS 10 1HD LYS 10 -5.711 7.659 3.584
65 2HD LYS 10 2HD LYS 10 -4.584 7.852 2.258
66 1HE LYS 10 1HE LYS 10 -6.352 6.151 1.805
67 2HE LYS 10 2HE LYS 10 -4.732 5.483 1.706
68 1HZ LYS 10 1HZ LYS 10 -6.601 5.285 3.977
69 2HZ LYS 10 2HZ LYS 10 -6.250 4.082 2.907
70 3HZ LYS 10 3HZ LYS 10 -5.091 4.623 3.946
71 H TYR 11 H TYR 11 -2.095 4.679 1.104
72 HA TYR 11 HA TYR 11 0.328 2.919 1.432
73 1HB TYR 11 1HB TYR 11 -1.059 1.215 0.360
74 2HB TYR 11 2HB TYR 11 -1.804 1.845 1.823
75 HD1 TYR 11 HD1 TYR 11 -2.064 1.754 -1.903
76 HD2 TYR 11 HD2 TYR 11 -3.881 3.112 1.764
77 HE1 TYR 11 HE1 TYR 11 -4.067 2.453 -3.158
78 HE2 TYR 11 HE2 TYR 11 -5.947 3.697 0.507
79 HH TYR 11 HH TYR 11 -6.184 3.349 -3.044
80 H LEU 12 H LEU 12 0.178 5.562 -0.100
81 HA LEU 12 HA LEU 12 1.166 4.538 -2.681
82 1HB LEU 12 1HB LEU 12 -1.448 4.825 -2.518
83 2HB LEU 12 2HB LEU 12 -1.119 6.534 -2.615
84 HG LEU 12 HG LEU 12 -1.744 5.569 -4.731
85 1HD1 LEU 12 1HD1 LEU 12 0.043 6.354 -6.197
86 2HD1 LEU 12 2HD1 LEU 12 -0.134 7.447 -4.813
87 3HD1 LEU 12 3HD1 LEU 12 1.214 6.285 -4.867
88 1HD2 LEU 12 1HD2 LEU 12 -0.553 3.883 -5.933
89 2HD2 LEU 12 2HD2 LEU 12 0.721 3.793 -4.710
90 3HD2 LEU 12 3HD2 LEU 12 -0.929 3.254 -4.319
91 H ASP 13 H ASP 13 2.993 5.423 -1.239
92 HA ASP 13 HA ASP 13 3.502 8.225 -2.066
93 1HB ASP 13 1HB ASP 13 2.518 8.192 0.210
94 2HB ASP 13 2HB ASP 13 3.787 7.088 0.716
95 H SER 14 H SER 14 5.953 7.476 -0.032
96 HA SER 14 HA SER 14 7.645 6.636 -2.316
97 1HB SER 14 1HB SER 14 8.346 8.032 0.292
98 2HB SER 14 2HB SER 14 9.431 7.722 -1.079
99 HG SER 14 HG SER 14 7.973 8.990 -2.354
100 H ARG 15 H ARG 15 7.406 6.067 1.253
101 HA ARG 15 HA ARG 15 9.234 3.777 1.006
102 1HB ARG 15 1HB ARG 15 9.459 5.478 2.760
103 2HB ARG 15 2HB ARG 15 7.910 5.016 3.456
104 1HG ARG 15 1HG ARG 15 10.293 3.131 3.138
105 2HG ARG 15 2HG ARG 15 9.981 4.119 4.569
106 1HD ARG 15 1HD ARG 15 7.727 2.995 4.795
107 2HD ARG 15 2HD ARG 15 8.241 1.828 3.569
108 HE ARG 15 HE ARG 15 9.018 1.940 6.333
109 1HH1 ARG 15 1HH1 ARG 15 10.199 0.940 3.121
110 2HH1 ARG 15 2HH1 ARG 15 11.258 -0.284 3.779
111 1HH2 ARG 15 1HH2 ARG 15 10.406 0.331 7.142
112 2HH2 ARG 15 2HH2 ARG 15 11.378 -0.627 6.050
113 H ARG 16 H ARG 16 6.081 4.295 2.599
114 HA ARG 16 HA ARG 16 5.470 1.762 3.286
115 1HB ARG 16 1HB ARG 16 3.148 2.495 3.450
116 2HB ARG 16 2HB ARG 16 4.312 3.647 4.093
117 1HG ARG 16 1HG ARG 16 3.934 4.471 1.386
118 2HG ARG 16 2HG ARG 16 2.351 3.946 1.934
119 1HD ARG 16 1HD ARG 16 2.532 6.255 2.473
120 2HD ARG 16 2HD ARG 16 2.784 5.439 4.011
121 HE ARG 16 HE ARG 16 4.889 6.560 2.174
122 1HH1 ARG 16 1HH1 ARG 16 4.026 5.670 5.532
123 2HH1 ARG 16 2HH1 ARG 16 5.470 6.403 6.183
124 1HH2 ARG 16 1HH2 ARG 16 6.714 7.509 3.081
125 2HH2 ARG 16 2HH2 ARG 16 6.993 7.428 4.806
126 H ALA 17 H ALA 17 4.526 3.157 0.077
127 HA ALA 17 HA ALA 17 2.806 0.968 -0.571
128 1HB ALA 17 1HB ALA 17 2.632 2.082 -2.713
129 2HB ALA 17 2HB ALA 17 2.638 3.294 -1.412
130 3HB ALA 17 3HB ALA 17 4.092 3.051 -2.383
131 H GLN 18 H GLN 18 6.099 1.922 -1.557
132 HA GLN 18 HA GLN 18 6.625 -0.275 -3.300
133 1HB GLN 18 1HB GLN 18 8.315 1.752 -1.781
134 2HB GLN 18 2HB GLN 18 9.057 0.467 -2.741
135 1HG GLN 18 1HG GLN 18 8.842 2.562 -4.004
136 2HG GLN 18 2HG GLN 18 8.001 1.187 -4.750
137 1HE2 GLN 18 2HE2 GLN 18 7.489 4.146 -2.802
138 2HE2 GLN 18 1HE2 GLN 18 5.865 4.463 -3.373
139 H ASP 19 H ASP 19 7.146 0.250 0.161
140 HA ASP 19 HA ASP 19 8.547 -2.163 0.751
141 1HB ASP 19 1HB ASP 19 8.472 -0.271 2.275
142 2HB ASP 19 2HB ASP 19 6.725 -0.436 2.476
143 H PHE 20 H PHE 20 5.030 -1.354 0.858
144 HA PHE 20 HA PHE 20 4.097 -3.937 1.588
145 1HB PHE 20 1HB PHE 20 2.757 -1.787 -0.088
146 2HB PHE 20 2HB PHE 20 1.944 -3.169 0.637
147 HD1 PHE 20 HD1 PHE 20 3.850 -2.649 3.349
148 HD2 PHE 20 HD2 PHE 20 0.987 -0.428 0.988
149 HE1 PHE 20 HE1 PHE 20 3.394 -1.188 5.268
150 HE2 PHE 20 HE2 PHE 20 0.519 1.016 2.949
151 HZ PHE 20 HZ PHE 20 1.735 0.652 5.083
152 H VAL 21 H VAL 21 4.840 -2.540 -1.652
153 HA VAL 21 HA VAL 21 3.828 -4.835 -3.067
154 HB VAL 21 HB VAL 21 5.732 -2.586 -3.812
155 1HG1 VAL 21 1HG1 VAL 21 6.443 -4.471 -5.186
156 2HG1 VAL 21 2HG1 VAL 21 4.751 -4.873 -5.569
157 3HG1 VAL 21 3HG1 VAL 21 5.482 -3.373 -6.178
158 1HG2 VAL 21 1HG2 VAL 21 3.256 -2.102 -3.537
159 2HG2 VAL 21 2HG2 VAL 21 3.853 -1.840 -5.184
160 3HG2 VAL 21 3HG2 VAL 21 2.930 -3.305 -4.792
161 H GLN 22 H GLN 22 7.142 -3.916 -2.059
162 HA GLN 22 HA GLN 22 8.486 -6.200 -2.957
163 1HB GLN 22 1HB GLN 22 9.578 -4.148 -2.162
164 2HB GLN 22 2HB GLN 22 8.991 -4.440 -0.521
165 1HG GLN 22 1HG GLN 22 11.356 -5.060 -0.775
166 2HG GLN 22 2HG GLN 22 10.362 -6.436 -0.302
167 1HE2 GLN 22 2HE2 GLN 22 11.433 -4.809 -3.369
168 2HE2 GLN 22 1HE2 GLN 22 11.842 -6.296 -4.199
169 H TRP 23 H TRP 23 6.415 -5.758 -0.083
170 HA TRP 23 HA TRP 23 7.382 -8.097 1.331
171 1HB TRP 23 1HB TRP 23 6.434 -6.386 2.662
172 2HB TRP 23 2HB TRP 23 5.063 -6.170 1.582
173 HD1 TRP 23 HD1 TRP 23 6.411 -8.898 3.858
174 HE1 TRP 23 HE1 TRP 23 4.386 -10.232 4.880
175 HE3 TRP 23 HE3 TRP 23 2.705 -6.777 1.200
176 HZ2 TRP 23 HZ2 TRP 23 1.572 -10.395 4.429
177 HZ3 TRP 23 HZ3 TRP 23 0.349 -7.602 1.388
178 HH2 TRP 23 HH2 TRP 23 -0.214 -9.393 3.024
179 H LEU 24 H LEU 24 4.405 -7.229 -0.430
180 HA LEU 24 HA LEU 24 3.082 -9.667 -0.429
181 1HB LEU 24 1HB LEU 24 2.489 -7.249 -1.252
182 2HB LEU 24 2HB LEU 24 3.052 -7.803 -2.824
183 HG LEU 24 HG LEU 24 0.825 -9.000 -1.090
184 1HD1 LEU 24 1HD1 LEU 24 0.702 -7.382 -3.667
185 2HD1 LEU 24 2HD1 LEU 24 -0.689 -8.058 -2.787
186 3HD1 LEU 24 3HD1 LEU 24 0.297 -6.788 -2.042
187 1HD2 LEU 24 1HD2 LEU 24 0.211 -10.247 -3.222
188 2HD2 LEU 24 2HD2 LEU 24 1.817 -9.817 -3.851
189 3HD2 LEU 24 3HD2 LEU 24 1.649 -10.829 -2.392
190 H MET 25 H MET 25 5.561 -8.419 -2.626
191 HA MET 25 HA MET 25 5.663 -10.608 -4.490
192 1HB MET 25 1HB MET 25 7.602 -8.436 -3.648
193 2HB MET 25 2HB MET 25 8.075 -9.699 -4.791
194 1HG MET 25 1HG MET 25 6.309 -9.104 -6.325
195 2HG MET 25 2HG MET 25 5.643 -7.916 -5.198
196 1HE MET 25 1HE MET 25 6.485 -7.499 -8.360
197 2HE MET 25 2HE MET 25 5.606 -6.329 -7.351
198 3HE MET 25 3HE MET 25 7.067 -5.823 -8.231
199 H ASN 26 H ASN 26 7.813 -9.807 -1.713
200 HA ASN 26 HA ASN 26 9.476 -12.025 -1.841
201 1HB ASN 26 1HB ASN 26 9.941 -10.050 -0.482
202 2HB ASN 26 2HB ASN 26 8.565 -10.406 0.572
203 1HD2 ASN 26 2HD2 ASN 26 11.648 -11.846 -0.636
204 2HD2 ASN 26 1HD2 ASN 26 12.014 -12.702 0.847
205 H THR 27 H THR 27 6.396 -11.674 -0.047
206 HA THR 27 HA THR 27 6.471 -14.292 1.142
207 HB THR 27 HB THR 27 4.081 -13.804 1.657
208 HG1 THR 27 HG1 THR 27 4.601 -11.330 0.363
209 1HG2 THR 27 1HG2 THR 27 6.001 -11.503 2.260
210 2HG2 THR 27 2HG2 THR 27 4.527 -11.931 3.150
211 3HG2 THR 27 3HG2 THR 27 5.916 -13.037 3.144
212 1HN NH2 28 1H NH2 28 4.610 -12.944 -1.670
213 2HN NH2 28 2H NH2 28 4.334 -14.506 -2.415
Start of MODEL 7
1 1H SER 1 1H SER 1 -15.722 0.740 3.713
2 2H SER 1 2H SER 1 -16.712 1.349 2.543
3 3H SER 1 3H SER 1 -16.681 -0.275 2.834
4 HA SER 1 HA SER 1 -15.519 0.244 0.849
5 1HB SER 1 1HB SER 1 -13.408 1.559 0.987
6 2HB SER 1 2HB SER 1 -14.856 2.509 1.372
7 HG SER 1 HG SER 1 -12.925 1.460 3.151
8 H GLN 2 H GLN 2 -14.107 -1.302 0.181
9 HA GLN 2 HA GLN 2 -13.504 -3.414 1.981
10 1HB GLN 2 1HB GLN 2 -12.508 -4.503 0.043
11 2HB GLN 2 2HB GLN 2 -14.066 -3.769 -0.365
12 1HG GLN 2 1HG GLN 2 -12.892 -1.836 -1.398
13 2HG GLN 2 2HG GLN 2 -11.328 -2.559 -0.987
14 1HE2 GLN 2 2HE2 GLN 2 -11.580 -1.948 -3.529
15 2HE2 GLN 2 1HE2 GLN 2 -11.891 -3.360 -4.527
16 H GLY 3 H GLY 3 -11.403 -4.439 2.304
17 1HA GLY 3 1HA GLY 3 -9.431 -2.552 3.303
18 2HA GLY 3 2HA GLY 3 -9.414 -4.313 3.434
19 H THR 4 H THR 4 -9.643 -2.362 0.465
20 HA THR 4 HA THR 4 -6.876 -2.416 -0.193
21 HB THR 4 HB THR 4 -7.320 -4.776 -0.694
22 HG1 THR 4 HG1 THR 4 -6.581 -4.709 -2.823
23 1HG2 THR 4 1HG2 THR 4 -9.744 -4.658 -1.230
24 2HG2 THR 4 2HG2 THR 4 -9.356 -3.817 -2.748
25 3HG2 THR 4 3HG2 THR 4 -8.804 -5.477 -2.485
26 H THR 5 H THR 5 -8.947 -0.541 0.217
27 HA THR 5 HA THR 5 -8.686 0.985 -2.291
28 HB THR 5 HB THR 5 -11.363 0.538 -0.885
29 HG1 THR 5 HG1 THR 5 -10.288 -0.201 -3.391
30 1HG2 THR 5 1HG2 THR 5 -10.608 2.314 -3.255
31 2HG2 THR 5 2HG2 THR 5 -12.258 1.989 -2.684
32 3HG2 THR 5 3HG2 THR 5 -11.130 2.887 -1.655
33 H SER 6 H SER 6 -10.420 1.289 0.860
34 HA SER 6 HA SER 6 -9.246 3.838 1.512
35 1HB SER 6 1HB SER 6 -10.296 3.323 3.753
36 2HB SER 6 2HB SER 6 -11.400 3.267 2.369
37 HG SER 6 HG SER 6 -10.161 1.035 3.623
38 H GLU 7 H GLU 7 -8.288 0.493 1.914
39 HA GLU 7 HA GLU 7 -6.243 1.047 3.957
40 1HB GLU 7 1HB GLU 7 -7.575 -1.024 4.057
41 2HB GLU 7 2HB GLU 7 -7.070 -1.436 2.408
42 1HG GLU 7 1HG GLU 7 -5.808 -2.718 4.077
43 2HG GLU 7 2HG GLU 7 -4.773 -1.683 3.097
44 H TYR 8 H TYR 8 -6.604 0.106 0.529
45 HA TYR 8 HA TYR 8 -3.922 -0.027 -0.255
46 1HB TYR 8 1HB TYR 8 -5.675 -0.789 -1.679
47 2HB TYR 8 2HB TYR 8 -6.452 0.798 -1.685
48 HD1 TYR 8 HD1 TYR 8 -3.294 -0.937 -2.704
49 HD2 TYR 8 HD2 TYR 8 -5.965 2.379 -3.366
50 HE1 TYR 8 HE1 TYR 8 -1.968 -0.271 -4.663
51 HE2 TYR 8 HE2 TYR 8 -4.710 2.995 -5.383
52 HH TYR 8 HH TYR 8 -2.916 2.486 -6.771
53 H SER 9 H SER 9 -6.004 2.828 0.227
54 HA SER 9 HA SER 9 -4.501 4.855 -0.879
55 1HB SER 9 1HB SER 9 -5.998 4.859 1.766
56 2HB SER 9 2HB SER 9 -5.455 6.303 0.897
57 HG SER 9 HG SER 9 -7.224 4.339 -0.139
58 H LYS 10 H LYS 10 -3.636 2.947 2.003
59 HA LYS 10 HA LYS 10 -1.525 4.736 2.887
60 1HB LYS 10 1HB LYS 10 -1.945 1.787 3.465
61 2HB LYS 10 2HB LYS 10 -0.960 2.929 4.375
62 1HG LYS 10 1HG LYS 10 -4.015 2.916 4.173
63 2HG LYS 10 2HG LYS 10 -3.010 2.442 5.531
64 1HD LYS 10 1HD LYS 10 -3.730 4.496 6.180
65 2HD LYS 10 2HD LYS 10 -2.133 4.892 5.538
66 1HE LYS 10 1HE LYS 10 -3.145 5.928 3.563
67 2HE LYS 10 2HE LYS 10 -4.702 5.156 3.893
68 1HZ LYS 10 1HZ LYS 10 -4.674 7.439 4.492
69 2HZ LYS 10 2HZ LYS 10 -4.868 6.510 5.841
70 3HZ LYS 10 3HZ LYS 10 -3.409 7.212 5.527
71 H TYR 11 H TYR 11 -1.571 1.545 1.132
72 HA TYR 11 HA TYR 11 1.251 1.966 0.444
73 1HB TYR 11 1HB TYR 11 0.987 -0.392 -0.463
74 2HB TYR 11 2HB TYR 11 1.034 -0.101 1.275
75 HD1 TYR 11 HD1 TYR 11 -1.104 -1.214 -1.531
76 HD2 TYR 11 HD2 TYR 11 -0.792 -0.610 2.724
77 HE1 TYR 11 HE1 TYR 11 -2.971 -2.812 -1.162
78 HE2 TYR 11 HE2 TYR 11 -2.567 -2.283 3.094
79 HH TYR 11 HH TYR 11 -4.135 -3.671 2.110
80 H LEU 12 H LEU 12 -0.083 3.816 -0.540
81 HA LEU 12 HA LEU 12 -0.023 3.401 -3.425
82 1HB LEU 12 1HB LEU 12 -2.335 3.517 -2.923
83 2HB LEU 12 2HB LEU 12 -2.086 4.760 -1.695
84 HG LEU 12 HG LEU 12 -1.621 6.445 -3.411
85 1HD1 LEU 12 1HD1 LEU 12 -0.766 4.875 -5.233
86 2HD1 LEU 12 2HD1 LEU 12 -2.421 4.275 -5.419
87 3HD1 LEU 12 3HD1 LEU 12 -2.042 5.965 -5.796
88 1HD2 LEU 12 1HD2 LEU 12 -3.870 6.255 -2.601
89 2HD2 LEU 12 2HD2 LEU 12 -3.920 6.583 -4.338
90 3HD2 LEU 12 3HD2 LEU 12 -4.235 4.940 -3.741
91 H ASP 13 H ASP 13 0.984 5.039 -0.558
92 HA ASP 13 HA ASP 13 1.749 7.571 -1.670
93 1HB ASP 13 1HB ASP 13 1.031 7.109 0.666
94 2HB ASP 13 2HB ASP 13 2.497 6.163 0.920
95 H SER 14 H SER 14 4.394 6.648 0.120
96 HA SER 14 HA SER 14 6.023 6.079 -2.327
97 1HB SER 14 1HB SER 14 6.625 7.899 0.032
98 2HB SER 14 2HB SER 14 7.755 7.479 -1.277
99 HG SER 14 HG SER 14 6.629 9.430 -1.670
100 H ARG 15 H ARG 15 7.088 6.190 1.097
101 HA ARG 15 HA ARG 15 8.718 3.936 0.748
102 1HB ARG 15 1HB ARG 15 9.014 5.650 2.482
103 2HB ARG 15 2HB ARG 15 7.618 5.048 3.370
104 1HG ARG 15 1HG ARG 15 10.130 3.425 2.699
105 2HG ARG 15 2HG ARG 15 9.892 4.314 4.202
106 1HD ARG 15 1HD ARG 15 8.310 1.862 3.310
107 2HD ARG 15 2HD ARG 15 9.487 1.976 4.589
108 HE ARG 15 HE ARG 15 7.533 3.899 5.181
109 1HH1 ARG 15 1HH1 ARG 15 7.745 0.356 4.888
110 2HH1 ARG 15 2HH1 ARG 15 6.476 0.076 6.056
111 1HH2 ARG 15 1HH2 ARG 15 5.878 3.495 6.692
112 2HH2 ARG 15 2HH2 ARG 15 5.418 1.853 7.080
113 H ARG 16 H ARG 16 5.698 4.116 2.703
114 HA ARG 16 HA ARG 16 5.494 1.383 3.204
115 1HB ARG 16 1HB ARG 16 3.134 1.833 3.762
116 2HB ARG 16 2HB ARG 16 4.285 2.947 4.513
117 1HG ARG 16 1HG ARG 16 3.745 4.690 2.862
118 2HG ARG 16 2HG ARG 16 2.646 3.574 2.028
119 1HD ARG 16 1HD ARG 16 1.233 3.436 4.037
120 2HD ARG 16 2HD ARG 16 2.383 4.434 4.947
121 HE ARG 16 HE ARG 16 1.226 5.583 2.491
122 1HH1 ARG 16 1HH1 ARG 16 0.929 5.390 6.042
123 2HH1 ARG 16 2HH1 ARG 16 -0.079 6.813 6.130
124 1HH2 ARG 16 1HH2 ARG 16 -0.053 7.446 2.664
125 2HH2 ARG 16 2HH2 ARG 16 -0.639 7.972 4.225
126 H ALA 17 H ALA 17 4.598 3.074 0.215
127 HA ALA 17 HA ALA 17 2.847 0.961 -0.745
128 1HB ALA 17 1HB ALA 17 2.975 2.216 -2.866
129 2HB ALA 17 2HB ALA 17 2.596 3.271 -1.489
130 3HB ALA 17 3HB ALA 17 4.223 3.273 -2.164
131 H GLN 18 H GLN 18 6.170 2.027 -1.535
132 HA GLN 18 HA GLN 18 6.812 -0.145 -3.264
133 1HB GLN 18 1HB GLN 18 8.367 1.854 -1.580
134 2HB GLN 18 2HB GLN 18 9.219 0.584 -2.448
135 1HG GLN 18 1HG GLN 18 8.829 2.995 -3.501
136 2HG GLN 18 2HG GLN 18 8.947 1.517 -4.461
137 1HE2 GLN 18 2HE2 GLN 18 6.491 3.714 -2.969
138 2HE2 GLN 18 1HE2 GLN 18 5.326 3.489 -4.257
139 H ASP 19 H ASP 19 7.303 0.291 0.249
140 HA ASP 19 HA ASP 19 8.748 -2.096 0.734
141 1HB ASP 19 1HB ASP 19 8.631 -0.277 2.341
142 2HB ASP 19 2HB ASP 19 6.878 -0.471 2.507
143 H PHE 20 H PHE 20 5.224 -1.376 0.952
144 HA PHE 20 HA PHE 20 4.339 -3.960 1.605
145 1HB PHE 20 1HB PHE 20 2.985 -1.946 1.774
146 2HB PHE 20 2HB PHE 20 2.961 -1.776 0.015
147 HD1 PHE 20 HD1 PHE 20 1.690 -3.630 2.935
148 HD2 PHE 20 HD2 PHE 20 1.579 -3.271 -1.355
149 HE1 PHE 20 HE1 PHE 20 -0.344 -5.062 2.868
150 HE2 PHE 20 HE2 PHE 20 -0.445 -4.721 -1.424
151 HZ PHE 20 HZ PHE 20 -1.396 -5.627 0.687
152 H VAL 21 H VAL 21 5.104 -2.519 -1.635
153 HA VAL 21 HA VAL 21 4.038 -4.767 -3.081
154 HB VAL 21 HB VAL 21 5.916 -2.495 -3.798
155 1HG1 VAL 21 1HG2 VAL 21 6.702 -4.315 -5.197
156 2HG1 VAL 21 2HG2 VAL 21 5.032 -4.784 -5.602
157 3HG1 VAL 21 3HG2 VAL 21 5.701 -3.242 -6.177
158 1HG2 VAL 21 1HG1 VAL 21 4.034 -1.760 -5.148
159 2HG2 VAL 21 2HG1 VAL 21 3.150 -3.266 -4.824
160 3HG2 VAL 21 3HG1 VAL 21 3.421 -2.102 -3.521
161 H GLN 22 H GLN 22 7.440 -3.948 -2.197
162 HA GLN 22 HA GLN 22 8.579 -6.349 -3.197
163 1HB GLN 22 1HB GLN 22 9.509 -4.629 -0.863
164 2HB GLN 22 2HB GLN 22 10.443 -5.872 -1.720
165 1HG GLN 22 1HG GLN 22 9.746 -4.507 -3.874
166 2HG GLN 22 2HG GLN 22 9.458 -3.200 -2.721
167 1HE2 GLN 22 2HE2 GLN 22 11.922 -5.624 -3.707
168 2HE2 GLN 22 1HE2 GLN 22 13.310 -4.611 -3.383
169 H TRP 23 H TRP 23 6.774 -5.711 -0.233
170 HA TRP 23 HA TRP 23 7.723 -8.048 1.212
171 1HB TRP 23 1HB TRP 23 6.948 -6.234 2.530
172 2HB TRP 23 2HB TRP 23 5.496 -6.030 1.552
173 HD1 TRP 23 HD1 TRP 23 6.977 -8.664 3.862
174 HE1 TRP 23 HE1 TRP 23 5.016 -9.973 5.030
175 HE3 TRP 23 HE3 TRP 23 3.114 -6.588 1.392
176 HZ2 TRP 23 HZ2 TRP 23 2.182 -10.155 4.743
177 HZ3 TRP 23 HZ3 TRP 23 0.774 -7.436 1.716
178 HH2 TRP 23 HH2 TRP 23 0.316 -9.195 3.414
179 H LEU 24 H LEU 24 4.632 -7.110 -0.305
180 HA LEU 24 HA LEU 24 3.238 -9.482 -0.196
181 1HB LEU 24 1HB LEU 24 2.353 -7.286 -0.881
182 2HB LEU 24 2HB LEU 24 3.294 -7.358 -2.374
183 HG LEU 24 HG LEU 24 1.956 -9.289 -3.152
184 1HD1 LEU 24 1HD2 LEU 24 0.435 -8.922 -0.527
185 2HD1 LEU 24 2HD2 LEU 24 -0.129 -9.899 -1.897
186 3HD1 LEU 24 3HD2 LEU 24 1.338 -10.368 -1.035
187 1HD2 LEU 24 1HD1 LEU 24 0.249 -6.960 -2.188
188 2HD2 LEU 24 2HD1 LEU 24 1.247 -6.969 -3.659
189 3HD2 LEU 24 3HD1 LEU 24 -0.139 -8.067 -3.521
190 H MET 25 H MET 25 5.647 -8.409 -2.557
191 HA MET 25 HA MET 25 5.430 -10.597 -4.405
192 1HB MET 25 1HB MET 25 7.595 -8.585 -3.737
193 2HB MET 25 2HB MET 25 7.857 -9.871 -4.923
194 1HG MET 25 1HG MET 25 6.085 -9.090 -6.336
195 2HG MET 25 2HG MET 25 5.487 -7.980 -5.107
196 1HE MET 25 1HE MET 25 8.353 -8.758 -7.652
197 2HE MET 25 2HE MET 25 9.390 -7.321 -7.515
198 3HE MET 25 3HE MET 25 9.327 -8.493 -6.184
199 H ASN 26 H ASN 26 7.799 -9.922 -1.771
200 HA ASN 26 HA ASN 26 9.289 -12.267 -1.966
201 1HB ASN 26 1HB ASN 26 9.980 -10.317 -0.664
202 2HB ASN 26 2HB ASN 26 8.650 -10.562 0.477
203 1HD2 ASN 26 2HD2 ASN 26 11.465 -12.333 -0.946
204 2HD2 ASN 26 1HD2 ASN 26 11.882 -13.172 0.532
205 H THR 27 H THR 27 6.319 -11.658 -0.035
206 HA THR 27 HA THR 27 6.273 -14.269 1.174
207 HB THR 27 HB THR 27 3.961 -13.588 1.824
208 HG1 THR 27 HG1 THR 27 3.560 -12.249 -0.036
209 1HG2 THR 27 1HG2 THR 27 6.092 -11.442 2.275
210 2HG2 THR 27 2HG2 THR 27 4.661 -11.755 3.274
211 3HG2 THR 27 3HG2 THR 27 5.960 -12.963 3.178
212 1HN NH2 28 1H NH2 28 4.646 -12.830 -1.721
213 2HN NH2 28 2H NH2 28 4.082 -14.368 -2.339
Start of MODEL 8
1 1H SER 1 1H SER 1 -11.259 14.270 3.482
2 2H SER 1 2H SER 1 -12.678 14.040 4.290
3 3H SER 1 3H SER 1 -11.280 14.277 5.132
4 HA SER 1 HA SER 1 -11.885 12.011 3.401
5 1HB SER 1 1HB SER 1 -9.498 12.467 3.375
6 2HB SER 1 2HB SER 1 -9.463 12.596 5.145
7 HG SER 1 HG SER 1 -8.813 10.578 4.699
8 H GLN 2 H GLN 2 -13.399 10.762 4.307
9 HA GLN 2 HA GLN 2 -13.787 10.644 7.239
10 1HB GLN 2 1HB GLN 2 -15.316 9.376 4.920
11 2HB GLN 2 2HB GLN 2 -15.742 9.284 6.633
12 1HG GLN 2 1HG GLN 2 -17.122 10.963 5.677
13 2HG GLN 2 2HG GLN 2 -15.941 11.766 6.718
14 1HE2 GLN 2 2HE2 GLN 2 -15.773 13.784 5.734
15 2HE2 GLN 2 1HE2 GLN 2 -15.339 14.024 4.055
16 H GLY 3 H GLY 3 -11.335 9.795 6.866
17 1HA GLY 3 1HA GLY 3 -9.860 8.064 7.111
18 2HA GLY 3 2HA GLY 3 -11.223 7.005 7.517
19 H THR 4 H THR 4 -10.555 8.895 4.539
20 HA THR 4 HA THR 4 -10.996 6.457 2.882
21 HB THR 4 HB THR 4 -11.522 8.059 1.097
22 HG1 THR 4 HG1 THR 4 -11.140 9.970 3.156
23 1HG2 THR 4 1HG2 THR 4 -13.691 8.766 1.955
24 2HG2 THR 4 2HG2 THR 4 -13.321 7.123 2.516
25 3HG2 THR 4 3HG2 THR 4 -13.160 8.500 3.624
26 H THR 5 H THR 5 -9.448 9.268 1.704
27 HA THR 5 HA THR 5 -7.225 7.967 0.561
28 HB THR 5 HB THR 5 -6.282 10.289 0.362
29 HG1 THR 5 HG1 THR 5 -7.598 11.975 1.167
30 1HG2 THR 5 1HG2 THR 5 -8.070 11.198 -1.044
31 2HG2 THR 5 2HG2 THR 5 -7.933 9.450 -1.299
32 3HG2 THR 5 3HG2 THR 5 -9.258 10.104 -0.312
33 H SER 6 H SER 6 -7.585 9.645 3.680
34 HA SER 6 HA SER 6 -5.060 9.539 4.778
35 1HB SER 6 1HB SER 6 -7.691 8.876 6.167
36 2HB SER 6 2HB SER 6 -6.206 9.467 6.941
37 HG SER 6 HG SER 6 -6.410 11.361 5.666
38 H GLU 7 H GLU 7 -7.316 6.820 4.275
39 HA GLU 7 HA GLU 7 -5.505 4.927 5.627
40 1HB GLU 7 1HB GLU 7 -7.899 4.761 6.040
41 2HB GLU 7 2HB GLU 7 -8.221 4.512 4.321
42 1HG GLU 7 1HG GLU 7 -6.871 2.437 4.355
43 2HG GLU 7 2HG GLU 7 -6.494 2.704 6.066
44 H TYR 8 H TYR 8 -7.220 4.880 2.426
45 HA TYR 8 HA TYR 8 -5.394 2.924 1.500
46 1HB TYR 8 1HB TYR 8 -6.551 2.902 -0.561
47 2HB TYR 8 2HB TYR 8 -7.659 2.895 0.798
48 HD1 TYR 8 HD1 TYR 8 -6.263 5.002 -1.967
49 HD2 TYR 8 HD2 TYR 8 -9.391 4.516 0.958
50 HE1 TYR 8 HE1 TYR 8 -7.573 6.787 -3.069
51 HE2 TYR 8 HE2 TYR 8 -10.732 6.251 -0.193
52 HH TYR 8 HH TYR 8 -9.526 8.009 -3.069
53 H SER 9 H SER 9 -5.573 6.414 0.595
54 HA SER 9 HA SER 9 -3.829 6.207 -1.573
55 1HB SER 9 1HB SER 9 -4.212 8.636 0.186
56 2HB SER 9 2HB SER 9 -3.531 8.596 -1.442
57 HG SER 9 HG SER 9 -5.526 7.688 -2.150
58 H LYS 10 H LYS 10 -3.042 6.309 1.871
59 HA LYS 10 HA LYS 10 -0.365 7.279 1.603
60 1HB LYS 10 1HB LYS 10 -1.625 5.587 3.795
61 2HB LYS 10 2HB LYS 10 -0.121 6.508 3.916
62 1HG LYS 10 1HG LYS 10 -2.931 7.647 3.537
63 2HG LYS 10 2HG LYS 10 -1.921 7.697 4.979
64 1HD LYS 10 1HD LYS 10 -1.432 9.778 4.245
65 2HD LYS 10 2HD LYS 10 -0.196 8.916 3.333
66 1HE LYS 10 1HE LYS 10 -1.257 10.501 1.859
67 2HE LYS 10 2HE LYS 10 -1.834 8.933 1.333
68 1HZ LYS 10 1HZ LYS 10 -3.575 10.530 1.491
69 2HZ LYS 10 2HZ LYS 10 -3.837 9.311 2.567
70 3HZ LYS 10 3HZ LYS 10 -3.282 10.773 3.095
71 H TYR 11 H TYR 11 -1.638 3.926 1.962
72 HA TYR 11 HA TYR 11 1.062 2.848 1.511
73 1HB TYR 11 1HB TYR 11 0.004 0.686 1.893
74 2HB TYR 11 2HB TYR 11 -0.138 1.840 3.215
75 HD1 TYR 11 HD1 TYR 11 -2.186 2.017 4.312
76 HD2 TYR 11 HD2 TYR 11 -2.122 0.581 0.242
77 HE1 TYR 11 HE1 TYR 11 -4.553 1.360 4.506
78 HE2 TYR 11 HE2 TYR 11 -4.516 -0.003 0.417
79 HH TYR 11 HH TYR 11 -6.386 0.442 3.440
80 H LEU 12 H LEU 12 -1.007 4.240 -0.487
81 HA LEU 12 HA LEU 12 -0.428 2.473 -2.771
82 1HB LEU 12 1HB LEU 12 -2.747 2.930 -2.519
83 2HB LEU 12 2HB LEU 12 -2.439 4.620 -2.143
84 HG LEU 12 HG LEU 12 -1.804 5.117 -4.428
85 1HD1 LEU 12 1HD1 LEU 12 -2.214 3.422 -6.226
86 2HD1 LEU 12 2HD1 LEU 12 -0.975 2.811 -5.121
87 3HD1 LEU 12 3HD1 LEU 12 -2.637 2.210 -4.999
88 1HD2 LEU 12 1HD2 LEU 12 -4.489 3.710 -4.153
89 2HD2 LEU 12 2HD2 LEU 12 -4.128 5.404 -3.758
90 3HD2 LEU 12 3HD2 LEU 12 -4.048 4.854 -5.438
91 H ASP 13 H ASP 13 0.601 5.333 -1.086
92 HA ASP 13 HA ASP 13 1.459 6.842 -3.391
93 1HB ASP 13 1HB ASP 13 0.604 7.863 -1.341
94 2HB ASP 13 2HB ASP 13 1.972 7.235 -0.429
95 H SER 14 H SER 14 3.945 7.074 -1.154
96 HA SER 14 HA SER 14 5.771 5.773 -3.087
97 1HB SER 14 1HB SER 14 7.443 7.297 -2.162
98 2HB SER 14 2HB SER 14 6.014 8.142 -2.777
99 HG SER 14 HG SER 14 6.613 8.965 -0.765
100 H ARG 15 H ARG 15 7.068 6.450 -0.016
101 HA ARG 15 HA ARG 15 8.554 4.230 0.252
102 1HB ARG 15 1HB ARG 15 8.548 6.389 1.564
103 2HB ARG 15 2HB ARG 15 7.346 5.689 2.637
104 1HG ARG 15 1HG ARG 15 10.169 4.632 2.090
105 2HG ARG 15 2HG ARG 15 9.686 5.612 3.475
106 1HD ARG 15 1HD ARG 15 8.886 2.742 2.908
107 2HD ARG 15 2HD ARG 15 9.891 3.361 4.209
108 HE ARG 15 HE ARG 15 7.473 4.695 4.513
109 1HH1 ARG 15 1HH1 ARG 15 8.546 1.302 4.551
110 2HH1 ARG 15 2HH1 ARG 15 7.304 0.807 5.676
111 1HH2 ARG 15 1HH2 ARG 15 5.875 4.015 5.994
112 2HH2 ARG 15 2HH2 ARG 15 5.798 2.342 6.498
113 H ARG 16 H ARG 16 5.375 4.602 1.883
114 HA ARG 16 HA ARG 16 5.221 2.111 3.166
115 1HB ARG 16 1HB ARG 16 3.097 3.884 1.921
116 2HB ARG 16 2HB ARG 16 2.728 2.522 2.997
117 1HG ARG 16 1HG ARG 16 3.525 3.521 4.861
118 2HG ARG 16 2HG ARG 16 4.737 4.484 4.006
119 1HD ARG 16 1HD ARG 16 1.745 5.020 3.960
120 2HD ARG 16 2HD ARG 16 2.910 5.919 4.939
121 HE ARG 16 HE ARG 16 2.341 6.238 2.123
122 1HH1 ARG 16 1HH1 ARG 16 4.974 6.607 4.499
123 2HH1 ARG 16 2HH1 ARG 16 5.892 7.677 3.468
124 1HH2 ARG 16 1HH2 ARG 16 3.566 7.638 0.820
125 2HH2 ARG 16 2HH2 ARG 16 5.105 8.245 1.379
126 H ALA 17 H ALA 17 3.865 3.050 -0.032
127 HA ALA 17 HA ALA 17 2.924 0.507 -0.781
128 1HB ALA 17 1HB ALA 17 3.964 2.708 -2.599
129 2HB ALA 17 2HB ALA 17 2.827 1.414 -3.020
130 3HB ALA 17 3HB ALA 17 2.351 2.681 -1.866
131 H GLN 18 H GLN 18 6.227 1.872 -0.894
132 HA GLN 18 HA GLN 18 7.177 -0.194 -2.729
133 1HB GLN 18 1HB GLN 18 8.900 1.484 -0.855
134 2HB GLN 18 2HB GLN 18 9.403 0.551 -2.262
135 1HG GLN 18 1HG GLN 18 8.033 3.213 -2.153
136 2HG GLN 18 2HG GLN 18 9.461 2.721 -3.039
137 1HE2 GLN 18 2HE2 GLN 18 6.031 3.115 -3.153
138 2HE2 GLN 18 1HE2 GLN 18 5.772 2.501 -4.776
139 H ASP 19 H ASP 19 7.044 0.253 0.778
140 HA ASP 19 HA ASP 19 8.651 -2.034 1.465
141 1HB ASP 19 1HB ASP 19 8.204 -0.248 3.053
142 2HB ASP 19 2HB ASP 19 6.467 -0.572 3.014
143 H PHE 20 H PHE 20 5.106 -1.488 1.255
144 HA PHE 20 HA PHE 20 4.405 -4.181 1.759
145 1HB PHE 20 1HB PHE 20 2.843 -1.980 0.384
146 2HB PHE 20 2HB PHE 20 2.167 -3.519 0.917
147 HD1 PHE 20 HD1 PHE 20 2.973 -4.107 3.529
148 HD2 PHE 20 HD2 PHE 20 2.188 -0.226 1.821
149 HE1 PHE 20 HE1 PHE 20 2.603 -3.184 5.794
150 HE2 PHE 20 HE2 PHE 20 1.815 0.689 4.101
151 HZ PHE 20 HZ PHE 20 2.031 -0.782 6.085
152 H VAL 21 H VAL 21 5.139 -2.561 -1.432
153 HA VAL 21 HA VAL 21 3.876 -4.786 -2.783
154 HB VAL 21 HB VAL 21 4.094 -2.479 -3.731
155 1HG1 VAL 21 1HG1 VAL 21 6.592 -2.258 -3.287
156 2HG1 VAL 21 2HG1 VAL 21 6.866 -3.376 -4.633
157 3HG1 VAL 21 3HG1 VAL 21 6.068 -1.818 -4.920
158 1HG2 VAL 21 1HG2 VAL 21 5.015 -4.803 -5.456
159 2HG2 VAL 21 2HG2 VAL 21 3.334 -4.400 -5.047
160 3HG2 VAL 21 3HG2 VAL 21 4.295 -3.286 -6.036
161 H GLN 22 H GLN 22 7.299 -4.015 -2.065
162 HA GLN 22 HA GLN 22 8.382 -6.353 -3.323
163 1HB GLN 22 1HB GLN 22 9.474 -4.681 -1.034
164 2HB GLN 22 2HB GLN 22 10.345 -5.905 -1.984
165 1HG GLN 22 1HG GLN 22 9.506 -4.554 -4.066
166 2HG GLN 22 2HG GLN 22 9.194 -3.254 -2.917
167 1HE2 GLN 22 2HE2 GLN 22 11.713 -5.552 -4.028
168 2HE2 GLN 22 1HE2 GLN 22 13.072 -4.485 -3.771
169 H TRP 23 H TRP 23 6.836 -5.777 -0.189
170 HA TRP 23 HA TRP 23 7.810 -8.182 1.107
171 1HB TRP 23 1HB TRP 23 7.122 -6.407 2.518
172 2HB TRP 23 2HB TRP 23 5.637 -6.144 1.607
173 HD1 TRP 23 HD1 TRP 23 7.124 -8.856 3.817
174 HE1 TRP 23 HE1 TRP 23 5.164 -10.038 5.124
175 HE3 TRP 23 HE3 TRP 23 3.235 -6.619 1.534
176 HZ2 TRP 23 HZ2 TRP 23 2.309 -10.018 5.053
177 HZ3 TRP 23 HZ3 TRP 23 0.873 -7.240 2.089
178 HH2 TRP 23 HH2 TRP 23 0.420 -8.932 3.861
179 H LEU 24 H LEU 24 4.664 -7.169 -0.228
180 HA LEU 24 HA LEU 24 3.224 -9.516 -0.181
181 1HB LEU 24 1HB LEU 24 2.369 -7.287 -0.783
182 2HB LEU 24 2HB LEU 24 3.304 -7.316 -2.282
183 HG LEU 24 HG LEU 24 1.929 -9.224 -3.103
184 1HD1 LEU 24 1HD2 LEU 24 1.247 -10.280 -0.989
185 2HD1 LEU 24 2HD2 LEU 24 0.384 -8.804 -0.500
186 3HD1 LEU 24 3HD2 LEU 24 -0.189 -9.765 -1.879
187 1HD2 LEU 24 1HD1 LEU 24 1.320 -6.893 -3.629
188 2HD2 LEU 24 2HD1 LEU 24 -0.120 -7.916 -3.480
189 3HD2 LEU 24 3HD1 LEU 24 0.324 -6.813 -2.160
190 H MET 25 H MET 25 5.614 -8.408 -2.549
191 HA MET 25 HA MET 25 5.303 -10.566 -4.432
192 1HB MET 25 1HB MET 25 7.455 -8.522 -3.876
193 2HB MET 25 2HB MET 25 7.728 -9.823 -5.040
194 1HG MET 25 1HG MET 25 5.879 -9.157 -6.398
195 2HG MET 25 2HG MET 25 5.303 -7.998 -5.199
196 1HE MET 25 1HE MET 25 5.050 -6.387 -7.307
197 2HE MET 25 2HE MET 25 6.418 -5.831 -8.298
198 3HE MET 25 3HE MET 25 5.863 -7.517 -8.413
199 H ASN 26 H ASN 26 7.833 -10.000 -1.898
200 HA ASN 26 HA ASN 26 9.210 -12.423 -2.291
201 1HB ASN 26 1HB ASN 26 8.859 -10.846 0.299
202 2HB ASN 26 2HB ASN 26 10.082 -12.087 0.006
203 1HD2 ASN 26 2HD2 ASN 26 10.735 -11.231 -2.772
204 2HD2 ASN 26 1HD2 ASN 26 11.617 -9.733 -2.583
205 H THR 27 H THR 27 6.453 -11.722 -0.129
206 HA THR 27 HA THR 27 6.394 -14.333 1.066
207 HB THR 27 HB THR 27 4.157 -13.597 1.876
208 HG1 THR 27 HG1 THR 27 4.753 -11.195 0.485
209 1HG2 THR 27 1HG2 THR 27 6.371 -11.512 2.189
210 2HG2 THR 27 2HG2 THR 27 4.985 -11.765 3.265
211 3HG2 THR 27 3HG2 THR 27 6.230 -13.021 3.108
212 1HN NH2 28 1H NH2 28 4.361 -12.803 -1.526
213 2HN NH2 28 2H NH2 28 3.826 -14.329 -2.199
Start of MODEL 9
1 1H SER 1 1H SER 1 -13.143 -2.106 -3.604
2 2H SER 1 2H SER 1 -14.588 -1.316 -3.687
3 3H SER 1 3H SER 1 -13.387 -0.737 -2.715
4 HA SER 1 HA SER 1 -15.071 -1.796 -1.436
5 1HB SER 1 1HB SER 1 -15.344 -4.274 -1.649
6 2HB SER 1 2HB SER 1 -15.927 -3.352 -3.046
7 HG SER 1 HG SER 1 -14.678 -5.162 -3.664
8 H GLN 2 H GLN 2 -12.531 -4.180 -2.201
9 HA GLN 2 HA GLN 2 -11.555 -4.300 0.483
10 1HB GLN 2 1HB GLN 2 -9.823 -5.735 -0.397
11 2HB GLN 2 2HB GLN 2 -11.403 -6.169 -1.062
12 1HG GLN 2 1HG GLN 2 -10.811 -4.909 -3.168
13 2HG GLN 2 2HG GLN 2 -9.190 -4.639 -2.506
14 1HE2 GLN 2 2HE2 GLN 2 -8.037 -6.722 -1.720
15 2HE2 GLN 2 1HE2 GLN 2 -8.199 -8.113 -2.772
16 H GLY 3 H GLY 3 -10.514 -2.456 -2.389
17 1HA GLY 3 1HA GLY 3 -8.168 -1.316 -1.051
18 2HA GLY 3 2HA GLY 3 -8.794 -0.934 -2.661
19 H THR 4 H THR 4 -9.929 -0.732 0.743
20 HA THR 4 HA THR 4 -11.214 1.897 0.202
21 HB THR 4 HB THR 4 -12.719 0.340 1.148
22 HG1 THR 4 HG1 THR 4 -13.209 1.460 3.053
23 1HG2 THR 4 1HG2 THR 4 -10.741 -0.134 3.421
24 2HG2 THR 4 2HG2 THR 4 -12.406 -0.726 3.348
25 3HG2 THR 4 3HG2 THR 4 -11.217 -1.320 2.188
26 H THR 5 H THR 5 -10.452 3.707 1.085
27 HA THR 5 HA THR 5 -7.896 4.235 1.440
28 HB THR 5 HB THR 5 -9.634 5.890 1.203
29 HG1 THR 5 HG1 THR 5 -7.530 6.423 1.946
30 1HG2 THR 5 1HG2 THR 5 -11.241 5.073 2.960
31 2HG2 THR 5 2HG2 THR 5 -10.130 5.691 4.206
32 3HG2 THR 5 3HG2 THR 5 -10.880 6.805 3.056
33 H SER 6 H SER 6 -9.917 3.296 4.239
34 HA SER 6 HA SER 6 -8.231 3.765 6.351
35 1HB SER 6 1HB SER 6 -9.396 1.856 7.462
36 2HB SER 6 2HB SER 6 -10.489 2.991 6.650
37 HG SER 6 HG SER 6 -10.590 1.532 4.899
38 H GLU 7 H GLU 7 -8.242 0.725 4.404
39 HA GLU 7 HA GLU 7 -5.718 -0.139 5.697
40 1HB GLU 7 1HB GLU 7 -6.073 -2.253 4.630
41 2HB GLU 7 2HB GLU 7 -7.514 -1.765 5.535
42 1HG GLU 7 1HG GLU 7 -8.568 -1.053 3.365
43 2HG GLU 7 2HG GLU 7 -7.152 -1.680 2.504
44 H TYR 8 H TYR 8 -7.071 0.832 2.598
45 HA TYR 8 HA TYR 8 -5.032 0.012 0.911
46 1HB TYR 8 1HB TYR 8 -7.362 0.580 0.362
47 2HB TYR 8 2HB TYR 8 -7.005 2.292 0.585
48 HD1 TYR 8 HD1 TYR 8 -5.692 -0.708 -1.275
49 HD2 TYR 8 HD2 TYR 8 -6.659 3.492 -1.404
50 HE1 TYR 8 HE1 TYR 8 -5.358 -0.718 -3.706
51 HE2 TYR 8 HE2 TYR 8 -6.366 3.485 -3.846
52 HH TYR 8 HH TYR 8 -5.374 0.542 -5.658
53 H SER 9 H SER 9 -5.585 3.337 2.218
54 HA SER 9 HA SER 9 -3.636 4.693 0.868
55 1HB SER 9 1HB SER 9 -4.580 5.153 3.698
56 2HB SER 9 2HB SER 9 -3.652 6.309 2.726
57 HG SER 9 HG SER 9 -5.941 6.594 2.630
58 H LYS 10 H LYS 10 -3.246 2.644 3.686
59 HA LYS 10 HA LYS 10 -0.736 3.386 4.681
60 1HB LYS 10 1HB LYS 10 -1.823 0.570 4.674
61 2HB LYS 10 2HB LYS 10 -0.791 1.336 5.879
62 1HG LYS 10 1HG LYS 10 -3.745 1.934 5.350
63 2HG LYS 10 2HG LYS 10 -3.040 0.999 6.650
64 1HD LYS 10 1HD LYS 10 -3.429 2.976 7.728
65 2HD LYS 10 2HD LYS 10 -1.743 3.221 7.253
66 1HE LYS 10 1HE LYS 10 -2.493 4.678 5.379
67 2HE LYS 10 2HE LYS 10 -4.180 4.230 5.698
68 1HZ LYS 10 1HZ LYS 10 -3.614 6.348 6.589
69 2HZ LYS 10 2HZ LYS 10 -3.987 5.303 7.809
70 3HZ LYS 10 3HZ LYS 10 -2.413 5.700 7.514
71 H TYR 11 H TYR 11 -1.523 1.538 1.820
72 HA TYR 11 HA TYR 11 1.384 1.320 1.231
73 1HB TYR 11 1HB TYR 11 0.846 -0.814 0.179
74 2HB TYR 11 2HB TYR 11 0.655 -0.756 1.949
75 HD1 TYR 11 HD1 TYR 11 -1.258 -0.891 -1.279
76 HD2 TYR 11 HD2 TYR 11 -1.414 -1.221 3.012
77 HE1 TYR 11 HE1 TYR 11 -3.434 -2.050 -1.454
78 HE2 TYR 11 HE2 TYR 11 -3.559 -2.471 2.832
79 HH TYR 11 HH TYR 11 -5.144 -3.097 -0.316
80 H LEU 12 H LEU 12 -0.535 3.375 0.469
81 HA LEU 12 HA LEU 12 -0.771 3.002 -2.486
82 1HB LEU 12 1HB LEU 12 -2.742 3.330 -0.982
83 2HB LEU 12 2HB LEU 12 -2.052 4.888 -0.497
84 HG LEU 12 HG LEU 12 -3.997 4.910 -1.999
85 1HD1 LEU 12 1HD2 LEU 12 -3.345 6.776 -3.330
86 2HD1 LEU 12 2HD2 LEU 12 -2.460 6.863 -1.798
87 3HD1 LEU 12 3HD2 LEU 12 -1.639 6.333 -3.283
88 1HD2 LEU 12 1HD1 LEU 12 -3.775 4.429 -4.383
89 2HD2 LEU 12 2HD1 LEU 12 -2.059 4.027 -4.190
90 3HD2 LEU 12 3HD1 LEU 12 -3.301 2.989 -3.457
91 H ASP 13 H ASP 13 0.480 4.952 0.143
92 HA ASP 13 HA ASP 13 1.171 7.290 -1.287
93 1HB ASP 13 1HB ASP 13 0.551 6.884 1.147
94 2HB ASP 13 2HB ASP 13 2.179 6.259 1.386
95 H SER 14 H SER 14 3.919 7.216 0.322
96 HA SER 14 HA SER 14 5.462 6.658 -2.114
97 1HB SER 14 1HB SER 14 6.159 8.078 0.484
98 2HB SER 14 2HB SER 14 7.218 7.929 -0.941
99 HG SER 14 HG SER 14 4.640 9.115 -0.886
100 H ARG 15 H ARG 15 7.234 6.389 0.840
101 HA ARG 15 HA ARG 15 8.556 4.093 0.131
102 1HB ARG 15 1HB ARG 15 9.274 5.705 1.818
103 2HB ARG 15 2HB ARG 15 8.031 5.160 2.946
104 1HG ARG 15 1HG ARG 15 10.191 3.305 1.834
105 2HG ARG 15 2HG ARG 15 10.435 4.330 3.254
106 1HD ARG 15 1HD ARG 15 8.478 3.220 4.371
107 2HD ARG 15 2HD ARG 15 8.419 2.058 3.035
108 HE ARG 15 HE ARG 15 11.061 2.112 3.991
109 1HH1 ARG 15 1HH1 ARG 15 7.816 1.085 5.033
110 2HH1 ARG 15 2HH1 ARG 15 8.424 -0.233 6.007
111 1HH2 ARG 15 1HH2 ARG 15 11.820 0.374 5.270
112 2HH2 ARG 15 2HH2 ARG 15 10.690 -0.635 6.142
113 H ARG 16 H ARG 16 5.827 4.314 2.459
114 HA ARG 16 HA ARG 16 5.760 1.651 3.211
115 1HB ARG 16 1HB ARG 16 3.569 2.074 4.079
116 2HB ARG 16 2HB ARG 16 4.629 3.454 4.368
117 1HG ARG 16 1HG ARG 16 3.563 4.588 2.346
118 2HG ARG 16 2HG ARG 16 2.401 3.261 2.294
119 1HD ARG 16 1HD ARG 16 1.926 3.788 4.795
120 2HD ARG 16 2HD ARG 16 2.908 5.240 4.559
121 HE ARG 16 HE ARG 16 0.711 4.937 2.646
122 1HH1 ARG 16 1HH1 ARG 16 1.551 6.104 5.910
123 2HH1 ARG 16 2HH1 ARG 16 0.207 7.218 5.968
124 1HH2 ARG 16 1HH2 ARG 16 -1.027 6.399 2.774
125 2HH2 ARG 16 2HH2 ARG 16 -1.240 7.403 4.193
126 H ALA 17 H ALA 17 4.329 3.105 0.288
127 HA ALA 17 HA ALA 17 2.827 0.770 -0.484
128 1HB ALA 17 1HB ALA 17 2.354 3.046 -1.322
129 2HB ALA 17 2HB ALA 17 3.897 3.050 -2.180
130 3HB ALA 17 3HB ALA 17 2.640 1.891 -2.642
131 H GLN 18 H GLN 18 6.128 1.989 -1.311
132 HA GLN 18 HA GLN 18 6.646 -0.118 -3.177
133 1HB GLN 18 1HB GLN 18 8.817 1.288 -1.584
134 2HB GLN 18 2HB GLN 18 8.889 0.610 -3.211
135 1HG GLN 18 1HG GLN 18 7.671 3.199 -2.266
136 2HG GLN 18 2HG GLN 18 8.898 2.944 -3.493
137 1HE2 GLN 18 2HE2 GLN 18 5.687 3.757 -3.071
138 2HE2 GLN 18 1HE2 GLN 18 5.080 3.312 -4.651
139 H ASP 19 H ASP 19 7.273 0.241 0.298
140 HA ASP 19 HA ASP 19 8.777 -2.150 0.684
141 1HB ASP 19 1HB ASP 19 8.758 -0.265 2.255
142 2HB ASP 19 2HB ASP 19 7.042 -0.528 2.596
143 H PHE 20 H PHE 20 5.273 -1.374 0.999
144 HA PHE 20 HA PHE 20 4.380 -3.951 1.743
145 1HB PHE 20 1HB PHE 20 3.025 -1.936 1.909
146 2HB PHE 20 2HB PHE 20 3.008 -1.765 0.155
147 HD1 PHE 20 HD1 PHE 20 1.726 -3.693 3.042
148 HD2 PHE 20 HD2 PHE 20 1.564 -3.168 -1.232
149 HE1 PHE 20 HE1 PHE 20 -0.409 -4.963 2.964
150 HE2 PHE 20 HE2 PHE 20 -0.577 -4.427 -1.304
151 HZ PHE 20 HZ PHE 20 -1.570 -5.314 0.794
152 H VAL 21 H VAL 21 4.964 -2.504 -1.544
153 HA VAL 21 HA VAL 21 3.930 -4.811 -2.911
154 HB VAL 21 HB VAL 21 5.711 -2.492 -3.735
155 1HG1 VAL 21 1HG1 VAL 21 5.403 -3.271 -6.097
156 2HG1 VAL 21 2HG1 VAL 21 6.466 -4.315 -5.151
157 3HG1 VAL 21 3HG1 VAL 21 4.789 -4.818 -5.476
158 1HG2 VAL 21 1HG2 VAL 21 2.910 -3.341 -4.609
159 2HG2 VAL 21 2HG2 VAL 21 3.226 -2.138 -3.352
160 3HG2 VAL 21 3HG2 VAL 21 3.742 -1.827 -5.017
161 H GLN 22 H GLN 22 7.249 -3.884 -1.944
162 HA GLN 22 HA GLN 22 8.576 -6.137 -2.964
163 1HB GLN 22 1HB GLN 22 9.616 -4.053 -2.013
164 2HB GLN 22 2HB GLN 22 9.171 -4.606 -0.394
165 1HG GLN 22 1HG GLN 22 11.491 -5.134 -0.821
166 2HG GLN 22 2HG GLN 22 10.571 -6.633 -0.691
167 1HE2 GLN 22 2HE2 GLN 22 11.689 -4.239 -3.175
168 2HE2 GLN 22 1HE2 GLN 22 12.046 -5.435 -4.404
169 H TRP 23 H TRP 23 6.618 -5.750 0.009
170 HA TRP 23 HA TRP 23 7.519 -8.177 1.294
171 1HB TRP 23 1HB TRP 23 6.577 -6.569 2.737
172 2HB TRP 23 2HB TRP 23 5.237 -6.226 1.654
173 HD1 TRP 23 HD1 TRP 23 6.445 -9.158 3.744
174 HE1 TRP 23 HE1 TRP 23 4.357 -10.523 4.590
175 HE3 TRP 23 HE3 TRP 23 2.873 -6.754 1.144
176 HZ2 TRP 23 HZ2 TRP 23 1.548 -10.543 4.087
177 HZ3 TRP 23 HZ3 TRP 23 0.484 -7.494 1.237
178 HH2 TRP 23 HH2 TRP 23 -0.174 -9.373 2.732
179 H LEU 24 H LEU 24 4.601 -7.190 -0.482
180 HA LEU 24 HA LEU 24 3.172 -9.551 -0.578
181 1HB LEU 24 1HB LEU 24 2.714 -7.106 -1.366
182 2HB LEU 24 2HB LEU 24 3.321 -7.641 -2.928
183 HG LEU 24 HG LEU 24 0.960 -8.775 -1.335
184 1HD1 LEU 24 1HD2 LEU 24 -0.415 -7.730 -3.084
185 2HD1 LEU 24 2HD2 LEU 24 0.597 -6.522 -2.274
186 3HD1 LEU 24 3HD2 LEU 24 1.048 -7.115 -3.887
187 1HD2 LEU 24 1HD1 LEU 24 1.778 -10.615 -2.636
188 2HD2 LEU 24 2HD1 LEU 24 0.404 -9.955 -3.516
189 3HD2 LEU 24 3HD1 LEU 24 2.054 -9.581 -4.063
190 H MET 25 H MET 25 5.749 -8.372 -2.714
191 HA MET 25 HA MET 25 5.780 -10.525 -4.605
192 1HB MET 25 1HB MET 25 7.888 -8.526 -3.728
193 2HB MET 25 2HB MET 25 8.193 -9.755 -4.962
194 1HG MET 25 1HG MET 25 6.551 -8.879 -6.428
195 2HG MET 25 2HG MET 25 5.831 -7.870 -5.177
196 1HE MET 25 1HE MET 25 9.778 -8.188 -5.819
197 2HE MET 25 2HE MET 25 9.007 -8.447 -7.405
198 3HE MET 25 3HE MET 25 9.952 -6.972 -7.099
199 H ASN 26 H ASN 26 7.797 -9.986 -1.649
200 HA ASN 26 HA ASN 26 9.283 -12.392 -1.909
201 1HB ASN 26 1HB ASN 26 8.754 -10.476 0.372
202 2HB ASN 26 2HB ASN 26 9.555 -12.020 0.674
203 1HD2 ASN 26 2HD2 ASN 26 9.787 -9.221 -1.609
204 2HD2 ASN 26 1HD2 ASN 26 11.530 -9.254 -1.707
205 H THR 27 H THR 27 6.361 -11.734 0.121
206 HA THR 27 HA THR 27 6.326 -14.388 1.179
207 HB THR 27 HB THR 27 5.342 -12.331 2.212
208 HG1 THR 27 HG1 THR 27 3.725 -14.641 1.977
209 1HG2 THR 27 1HG2 THR 27 3.063 -11.696 1.753
210 2HG2 THR 27 2HG2 THR 27 4.001 -11.530 0.261
211 3HG2 THR 27 3HG2 THR 27 2.904 -12.910 0.478
212 1HN NH2 28 1H NH2 28 4.695 -12.874 -1.648
213 2HN NH2 28 2H NH2 28 3.997 -14.367 -2.228
Start of MODEL 10
1 1H SER 1 1H SER 1 -15.380 2.575 -3.418
2 2H SER 1 2H SER 1 -16.692 1.620 -3.710
3 3H SER 1 3H SER 1 -16.658 2.587 -2.374
4 HA SER 1 HA SER 1 -16.273 0.324 -1.784
5 1HB SER 1 1HB SER 1 -14.212 -0.799 -2.569
6 2HB SER 1 2HB SER 1 -15.324 -0.430 -3.894
7 HG SER 1 HG SER 1 -13.099 1.182 -3.162
8 H GLN 2 H GLN 2 -16.278 2.258 -0.190
9 HA GLN 2 HA GLN 2 -13.975 3.589 0.615
10 1HB GLN 2 1HB GLN 2 -16.279 4.125 1.314
11 2HB GLN 2 2HB GLN 2 -16.309 2.687 2.352
12 1HG GLN 2 1HG GLN 2 -14.417 3.610 3.678
13 2HG GLN 2 2HG GLN 2 -14.343 5.012 2.596
14 1HE2 GLN 2 2HE2 GLN 2 -14.537 5.894 4.980
15 2HE2 GLN 2 1HE2 GLN 2 -16.169 6.291 5.477
16 H GLY 3 H GLY 3 -15.282 0.497 1.925
17 1HA GLY 3 1HA GLY 3 -13.003 0.023 3.666
18 2HA GLY 3 2HA GLY 3 -14.355 -1.064 3.327
19 H THR 4 H THR 4 -12.008 0.445 1.104
20 HA THR 4 HA THR 4 -10.395 -1.893 0.759
21 HB THR 4 HB THR 4 -11.837 -0.945 -1.756
22 HG1 THR 4 HG1 THR 4 -12.518 -2.999 0.039
23 1HG2 THR 4 1HG2 THR 4 -10.947 -3.028 -2.687
24 2HG2 THR 4 2HG2 THR 4 -9.631 -2.020 -2.056
25 3HG2 THR 4 3HG2 THR 4 -10.193 -3.430 -1.130
26 H THR 5 H THR 5 -11.483 0.974 -0.858
27 HA THR 5 HA THR 5 -9.076 1.971 -1.888
28 HB THR 5 HB THR 5 -11.552 3.525 -1.030
29 HG1 THR 5 HG1 THR 5 -10.878 2.252 -3.475
30 1HG2 THR 5 1HG2 THR 5 -9.390 4.138 -3.100
31 2HG2 THR 5 2HG2 THR 5 -10.893 5.057 -2.872
32 3HG2 THR 5 3HG2 THR 5 -9.673 5.031 -1.589
33 H SER 6 H SER 6 -10.704 2.770 1.253
34 HA SER 6 HA SER 6 -8.874 4.744 2.074
35 1HB SER 6 1HB SER 6 -10.571 2.862 3.760
36 2HB SER 6 2HB SER 6 -9.816 4.369 4.317
37 HG SER 6 HG SER 6 -11.036 5.461 2.700
38 H GLU 7 H GLU 7 -8.519 1.231 2.119
39 HA GLU 7 HA GLU 7 -6.278 1.330 4.044
40 1HB GLU 7 1HB GLU 7 -7.955 -0.438 4.269
41 2HB GLU 7 2HB GLU 7 -7.680 -0.961 2.601
42 1HG GLU 7 1HG GLU 7 -6.544 -2.427 4.209
43 2HG GLU 7 2HG GLU 7 -5.394 -1.627 3.139
44 H TYR 8 H TYR 8 -7.001 0.327 0.701
45 HA TYR 8 HA TYR 8 -4.508 -0.307 -0.304
46 1HB TYR 8 1HB TYR 8 -6.548 -0.679 -1.517
47 2HB TYR 8 2HB TYR 8 -6.927 1.041 -1.530
48 HD1 TYR 8 HD1 TYR 8 -6.139 2.486 -3.251
49 HD2 TYR 8 HD2 TYR 8 -4.465 -1.464 -2.823
50 HE1 TYR 8 HE1 TYR 8 -5.078 2.704 -5.462
51 HE2 TYR 8 HE2 TYR 8 -3.399 -1.253 -5.041
52 HH TYR 8 HH TYR 8 -3.749 1.693 -7.065
53 H SER 9 H SER 9 -6.037 2.925 -0.149
54 HA SER 9 HA SER 9 -4.150 4.403 -1.552
55 1HB SER 9 1HB SER 9 -5.104 6.361 -0.352
56 2HB SER 9 2HB SER 9 -6.324 5.283 -1.049
57 HG SER 9 HG SER 9 -6.685 4.420 0.977
58 H LYS 10 H LYS 10 -3.719 3.007 1.647
59 HA LYS 10 HA LYS 10 -1.650 4.860 2.498
60 1HB LYS 10 1HB LYS 10 -2.165 1.997 3.368
61 2HB LYS 10 2HB LYS 10 -1.201 3.214 4.202
62 1HG LYS 10 1HG LYS 10 -4.236 3.256 3.810
63 2HG LYS 10 2HG LYS 10 -3.336 2.904 5.276
64 1HD LYS 10 1HD LYS 10 -3.931 5.044 5.698
65 2HD LYS 10 2HD LYS 10 -2.349 5.341 4.968
66 1HE LYS 10 1HE LYS 10 -3.463 6.012 2.847
67 2HE LYS 10 2HE LYS 10 -5.021 5.456 3.468
68 1HZ LYS 10 1HZ LYS 10 -4.886 7.153 5.124
69 2HZ LYS 10 2HZ LYS 10 -3.423 7.656 4.551
70 3HZ LYS 10 3HZ LYS 10 -4.771 7.798 3.611
71 H TYR 11 H TYR 11 -1.637 1.499 1.110
72 HA TYR 11 HA TYR 11 1.241 1.777 0.546
73 1HB TYR 11 1HB TYR 11 0.985 -0.636 -0.094
74 2HB TYR 11 2HB TYR 11 0.850 -0.190 1.604
75 HD1 TYR 11 HD1 TYR 11 -1.137 -0.556 2.880
76 HD2 TYR 11 HD2 TYR 11 -1.066 -1.439 -1.342
77 HE1 TYR 11 HE1 TYR 11 -3.092 -2.047 3.150
78 HE2 TYR 11 HE2 TYR 11 -3.083 -2.835 -1.086
79 HH TYR 11 HH TYR 11 -4.635 -3.704 0.370
80 H LEU 12 H LEU 12 0.130 3.551 -0.754
81 HA LEU 12 HA LEU 12 0.078 2.723 -3.570
82 1HB LEU 12 1HB LEU 12 -2.214 2.954 -2.827
83 2HB LEU 12 2HB LEU 12 -1.884 4.539 -2.133
84 HG LEU 12 HG LEU 12 -3.213 4.493 -4.210
85 1HD1 LEU 12 1HD1 LEU 12 -0.674 6.113 -4.610
86 2HD1 LEU 12 2HD1 LEU 12 -2.296 6.439 -5.223
87 3HD1 LEU 12 3HD1 LEU 12 -1.982 6.535 -3.482
88 1HD2 LEU 12 1HD2 LEU 12 -2.182 4.107 -6.379
89 2HD2 LEU 12 2HD2 LEU 12 -0.599 3.817 -5.633
90 3HD2 LEU 12 3HD2 LEU 12 -1.930 2.673 -5.362
91 H ASP 13 H ASP 13 0.195 5.250 -1.109
92 HA ASP 13 HA ASP 13 1.190 7.481 -2.203
93 1HB ASP 13 1HB ASP 13 0.448 7.189 0.081
94 2HB ASP 13 2HB ASP 13 1.845 6.188 0.458
95 H SER 14 H SER 14 3.661 5.937 -0.341
96 HA SER 14 HA SER 14 5.582 5.966 -2.593
97 1HB SER 14 1HB SER 14 7.077 7.573 -1.495
98 2HB SER 14 2HB SER 14 5.524 8.301 -1.927
99 HG SER 14 HG SER 14 4.875 8.060 0.239
100 H ARG 15 H ARG 15 6.849 6.341 0.617
101 HA ARG 15 HA ARG 15 8.541 4.168 0.412
102 1HB ARG 15 1HB ARG 15 8.728 6.072 1.981
103 2HB ARG 15 2HB ARG 15 7.468 5.382 3.001
104 1HG ARG 15 1HG ARG 15 10.153 4.066 2.349
105 2HG ARG 15 2HG ARG 15 9.790 5.020 3.788
106 1HD ARG 15 1HD ARG 15 7.912 3.281 4.275
107 2HD ARG 15 2HD ARG 15 8.716 2.277 3.062
108 HE ARG 15 HE ARG 15 10.431 1.827 4.456
109 1HH1 ARG 15 1HH1 ARG 15 8.597 4.544 5.856
110 2HH1 ARG 15 2HH1 ARG 15 9.444 4.464 7.383
111 1HH2 ARG 15 1HH2 ARG 15 11.512 1.763 6.455
112 2HH2 ARG 15 2HH2 ARG 15 11.096 2.896 7.720
113 H ARG 16 H ARG 16 5.625 4.265 2.506
114 HA ARG 16 HA ARG 16 5.576 1.567 3.215
115 1HB ARG 16 1HB ARG 16 3.177 1.936 3.727
116 2HB ARG 16 2HB ARG 16 4.274 3.138 4.420
117 1HG ARG 16 1HG ARG 16 3.663 4.772 2.699
118 2HG ARG 16 2HG ARG 16 2.644 3.573 1.882
119 1HD ARG 16 1HD ARG 16 1.130 3.471 3.744
120 2HD ARG 16 2HD ARG 16 2.191 4.422 4.780
121 HE ARG 16 HE ARG 16 0.447 5.360 2.602
122 1HH1 ARG 16 1HH1 ARG 16 3.120 6.291 4.768
123 2HH1 ARG 16 2HH1 ARG 16 2.756 7.995 4.651
124 1HH2 ARG 16 1HH2 ARG 16 -0.026 7.579 2.524
125 2HH2 ARG 16 2HH2 ARG 16 0.983 8.726 3.374
126 H ALA 17 H ALA 17 4.439 3.067 0.193
127 HA ALA 17 HA ALA 17 2.934 0.776 -0.693
128 1HB ALA 17 1HB ALA 17 2.731 1.939 -2.761
129 2HB ALA 17 2HB ALA 17 2.633 3.151 -1.460
130 3HB ALA 17 3HB ALA 17 4.108 2.989 -2.407
131 H GLN 18 H GLN 18 6.297 1.951 -1.326
132 HA GLN 18 HA GLN 18 6.895 -0.201 -3.122
133 1HB GLN 18 1HB GLN 18 8.960 1.291 -1.468
134 2HB GLN 18 2HB GLN 18 9.167 0.458 -3.008
135 1HG GLN 18 1HG GLN 18 8.046 3.170 -2.431
136 2HG GLN 18 2HG GLN 18 9.228 2.678 -3.625
137 1HE2 GLN 18 2HE2 GLN 18 6.063 3.680 -3.205
138 2HE2 GLN 18 1HE2 GLN 18 5.393 3.166 -4.739
139 H ASP 19 H ASP 19 7.228 0.233 0.372
140 HA ASP 19 HA ASP 19 8.773 -2.118 0.922
141 1HB ASP 19 1HB ASP 19 8.593 -0.226 2.478
142 2HB ASP 19 2HB ASP 19 6.854 -0.497 2.652
143 H PHE 20 H PHE 20 5.265 -1.362 1.000
144 HA PHE 20 HA PHE 20 4.328 -3.913 1.728
145 1HB PHE 20 1HB PHE 20 2.976 -1.893 1.821
146 2HB PHE 20 2HB PHE 20 3.029 -1.742 0.062
147 HD1 PHE 20 HD1 PHE 20 1.586 -3.551 2.936
148 HD2 PHE 20 HD2 PHE 20 1.685 -3.243 -1.361
149 HE1 PHE 20 HE1 PHE 20 -0.454 -4.963 2.786
150 HE2 PHE 20 HE2 PHE 20 -0.337 -4.679 -1.509
151 HZ PHE 20 HZ PHE 20 -1.406 -5.541 0.564
152 H VAL 21 H VAL 21 4.992 -2.532 -1.610
153 HA VAL 21 HA VAL 21 3.837 -4.928 -2.751
154 HB VAL 21 HB VAL 21 3.879 -2.675 -3.872
155 1HG1 VAL 21 1HG1 VAL 21 6.331 -2.250 -3.625
156 2HG1 VAL 21 2HG1 VAL 21 6.659 -3.537 -4.799
157 3HG1 VAL 21 3HG1 VAL 21 5.752 -2.093 -5.288
158 1HG2 VAL 21 1HG2 VAL 21 3.140 -4.743 -4.985
159 2HG2 VAL 21 2HG2 VAL 21 3.986 -3.674 -6.115
160 3HG2 VAL 21 3HG2 VAL 21 4.813 -5.102 -5.463
161 H GLN 22 H GLN 22 7.173 -3.883 -2.034
162 HA GLN 22 HA GLN 22 8.527 -6.101 -3.114
163 1HB GLN 22 1HB GLN 22 9.644 -4.090 -2.269
164 2HB GLN 22 2HB GLN 22 9.097 -4.439 -0.623
165 1HG GLN 22 1HG GLN 22 11.441 -5.024 -0.920
166 2HG GLN 22 2HG GLN 22 10.494 -6.459 -0.545
167 1HE2 GLN 22 2HE2 GLN 22 10.130 -8.044 -2.245
168 2HE2 GLN 22 1HE2 GLN 22 11.135 -8.063 -3.683
169 H TRP 23 H TRP 23 6.727 -5.714 -0.014
170 HA TRP 23 HA TRP 23 7.699 -8.140 1.192
171 1HB TRP 23 1HB TRP 23 6.880 -6.486 2.672
172 2HB TRP 23 2HB TRP 23 5.449 -6.177 1.695
173 HD1 TRP 23 HD1 TRP 23 6.853 -9.013 3.804
174 HE1 TRP 23 HE1 TRP 23 4.851 -10.386 4.822
175 HE3 TRP 23 HE3 TRP 23 3.068 -6.739 1.382
176 HZ2 TRP 23 HZ2 TRP 23 2.015 -10.479 4.498
177 HZ3 TRP 23 HZ3 TRP 23 0.704 -7.518 1.656
178 HH2 TRP 23 HH2 TRP 23 0.186 -9.377 3.230
179 H LEU 24 H LEU 24 4.644 -7.156 -0.327
180 HA LEU 24 HA LEU 24 3.205 -9.497 -0.345
181 1HB LEU 24 1HB LEU 24 2.392 -7.270 -1.012
182 2HB LEU 24 2HB LEU 24 3.394 -7.326 -2.463
183 HG LEU 24 HG LEU 24 2.069 -9.248 -3.323
184 1HD1 LEU 24 1HD2 LEU 24 1.292 -10.287 -1.236
185 2HD1 LEU 24 2HD2 LEU 24 0.398 -8.811 -0.802
186 3HD1 LEU 24 3HD2 LEU 24 -0.103 -9.789 -2.197
187 1HD2 LEU 24 1HD1 LEU 24 0.390 -6.851 -2.488
188 2HD2 LEU 24 2HD1 LEU 24 1.469 -6.921 -3.898
189 3HD2 LEU 24 3HD1 LEU 24 0.038 -7.966 -3.825
190 H MET 25 H MET 25 5.709 -8.406 -2.609
191 HA MET 25 HA MET 25 5.477 -10.634 -4.438
192 1HB MET 25 1HB MET 25 7.622 -8.534 -3.985
193 2HB MET 25 2HB MET 25 7.789 -9.816 -5.189
194 1HG MET 25 1HG MET 25 5.418 -7.915 -5.128
195 2HG MET 25 2HG MET 25 6.890 -7.635 -6.065
196 1HE MET 25 1HE MET 25 4.188 -8.458 -8.767
197 2HE MET 25 2HE MET 25 3.926 -7.605 -7.229
198 3HE MET 25 3HE MET 25 5.386 -7.275 -8.193
199 H ASN 26 H ASN 26 7.698 -9.947 -1.667
200 HA ASN 26 HA ASN 26 9.252 -12.306 -1.975
201 1HB ASN 26 1HB ASN 26 8.619 -10.719 0.554
202 2HB ASN 26 2HB ASN 26 9.848 -11.979 0.423
203 1HD2 ASN 26 2HD2 ASN 26 11.114 -11.437 -2.004
204 2HD2 ASN 26 1HD2 ASN 26 11.873 -9.864 -1.898
205 H THR 27 H THR 27 6.379 -11.727 0.137
206 HA THR 27 HA THR 27 6.406 -14.407 1.147
207 HB THR 27 HB THR 27 5.472 -12.415 2.295
208 HG1 THR 27 HG1 THR 27 3.778 -13.639 3.202
209 1HG2 THR 27 1HG2 THR 27 4.105 -11.486 0.413
210 2HG2 THR 27 2HG2 THR 27 2.972 -12.840 0.611
211 3HG2 THR 27 3HG2 THR 27 3.211 -11.683 1.927
212 1HN NH2 28 1H NH2 28 4.565 -12.803 -1.512
213 2HN NH2 28 2H NH2 28 3.904 -14.293 -2.141
Start of MODEL 11
1 1H SER 1 1H SER 1 -11.209 -0.845 12.404
2 2H SER 1 2H SER 1 -12.083 0.465 11.912
3 3H SER 1 3H SER 1 -12.655 -1.060 11.643
4 HA SER 1 HA SER 1 -11.832 -0.110 9.652
5 1HB SER 1 1HB SER 1 -10.186 1.365 10.814
6 2HB SER 1 2HB SER 1 -9.136 -0.041 11.067
7 HG SER 1 HG SER 1 -10.071 0.781 8.512
8 H GLN 2 H GLN 2 -9.392 -1.306 8.694
9 HA GLN 2 HA GLN 2 -9.475 -4.164 9.175
10 1HB GLN 2 1HB GLN 2 -10.306 -4.771 6.971
11 2HB GLN 2 2HB GLN 2 -11.545 -3.874 7.842
12 1HG GLN 2 1HG GLN 2 -9.723 -2.737 5.671
13 2HG GLN 2 2HG GLN 2 -11.384 -3.261 5.442
14 1HE2 GLN 2 2HE2 GLN 2 -13.089 -2.144 6.825
15 2HE2 GLN 2 1HE2 GLN 2 -12.873 -0.427 7.096
16 H GLY 3 H GLY 3 -7.963 -5.268 7.574
17 1HA GLY 3 1HA GLY 3 -5.509 -3.707 7.433
18 2HA GLY 3 2HA GLY 3 -5.733 -5.413 7.045
19 H THR 4 H THR 4 -7.537 -2.682 5.607
20 HA THR 4 HA THR 4 -6.005 -2.413 3.274
21 HB THR 4 HB THR 4 -6.853 -4.655 2.700
22 HG1 THR 4 HG1 THR 4 -7.736 -4.110 0.724
23 1HG2 THR 4 1HG2 THR 4 -9.245 -5.040 2.285
24 2HG2 THR 4 2HG2 THR 4 -8.937 -4.699 3.996
25 3HG2 THR 4 3HG2 THR 4 -9.638 -3.445 2.953
26 H THR 5 H THR 5 -7.908 -1.441 1.532
27 HA THR 5 HA THR 5 -8.830 0.531 1.016
28 HB THR 5 HB THR 5 -11.020 1.009 2.015
29 HG1 THR 5 HG1 THR 5 -10.222 -0.964 3.868
30 1HG2 THR 5 1HG2 THR 5 -12.100 -1.086 1.368
31 2HG2 THR 5 2HG2 THR 5 -10.807 -0.667 0.230
32 3HG2 THR 5 3HG2 THR 5 -10.551 -1.945 1.434
33 H SER 6 H SER 6 -9.820 1.256 4.315
34 HA SER 6 HA SER 6 -8.699 3.850 4.325
35 1HB SER 6 1HB SER 6 -9.417 2.082 6.699
36 2HB SER 6 2HB SER 6 -9.306 3.853 6.690
37 HG SER 6 HG SER 6 -11.002 3.828 5.117
38 H GLU 7 H GLU 7 -7.311 0.722 5.166
39 HA GLU 7 HA GLU 7 -4.987 1.892 6.559
40 1HB GLU 7 1HB GLU 7 -6.124 -0.078 7.503
41 2HB GLU 7 2HB GLU 7 -5.864 -0.966 5.993
42 1HG GLU 7 1HG GLU 7 -4.243 -1.614 7.729
43 2HG GLU 7 2HG GLU 7 -3.477 -0.932 6.298
44 H TYR 8 H TYR 8 -5.948 0.128 3.617
45 HA TYR 8 HA TYR 8 -3.452 -0.228 2.390
46 1HB TYR 8 1HB TYR 8 -5.509 -1.233 1.542
47 2HB TYR 8 2HB TYR 8 -6.180 0.363 1.194
48 HD1 TYR 8 HD1 TYR 8 -5.863 1.317 -0.934
49 HD2 TYR 8 HD2 TYR 8 -3.303 -1.887 0.381
50 HE1 TYR 8 HE1 TYR 8 -4.776 1.297 -3.123
51 HE2 TYR 8 HE2 TYR 8 -2.099 -1.821 -1.749
52 HH TYR 8 HH TYR 8 -3.030 0.434 -4.408
53 H SER 9 H SER 9 -5.563 2.633 2.544
54 HA SER 9 HA SER 9 -4.381 4.324 0.713
55 1HB SER 9 1HB SER 9 -5.554 4.993 3.436
56 2HB SER 9 2HB SER 9 -5.232 6.165 2.144
57 HG SER 9 HG SER 9 -6.949 3.911 1.952
58 H LYS 10 H LYS 10 -2.960 3.273 3.798
59 HA LYS 10 HA LYS 10 -0.974 5.404 3.914
60 1HB LYS 10 1HB LYS 10 -0.950 2.672 5.228
61 2HB LYS 10 2HB LYS 10 -0.028 4.104 5.684
62 1HG LYS 10 1HG LYS 10 -3.050 3.713 5.958
63 2HG LYS 10 2HG LYS 10 -1.834 3.733 7.221
64 1HD LYS 10 1HD LYS 10 -2.763 5.794 7.443
65 2HD LYS 10 2HD LYS 10 -1.333 6.182 6.481
66 1HE LYS 10 1HE LYS 10 -2.715 6.526 4.496
67 2HE LYS 10 2HE LYS 10 -4.088 5.694 5.240
68 1HZ LYS 10 1HZ LYS 10 -4.339 8.041 5.232
69 2HZ LYS 10 2HZ LYS 10 -4.244 7.492 6.783
70 3HZ LYS 10 3HZ LYS 10 -2.950 8.250 6.096
71 H TYR 11 H TYR 11 -0.987 1.927 2.911
72 HA TYR 11 HA TYR 11 1.649 2.293 1.631
73 1HB TYR 11 1HB TYR 11 1.490 -0.195 1.422
74 2HB TYR 11 2HB TYR 11 1.767 0.511 3.010
75 HD1 TYR 11 HD1 TYR 11 0.249 0.347 4.827
76 HD2 TYR 11 HD2 TYR 11 -0.679 -1.417 1.007
77 HE1 TYR 11 HE1 TYR 11 -1.267 -1.252 5.938
78 HE2 TYR 11 HE2 TYR 11 -2.252 -2.987 2.124
79 HH TYR 11 HH TYR 11 -3.275 -3.604 4.115
80 H LEU 12 H LEU 12 -0.041 3.756 0.594
81 HA LEU 12 HA LEU 12 -0.374 2.699 -2.116
82 1HB LEU 12 1HB LEU 12 -2.573 2.725 -1.225
83 2HB LEU 12 2HB LEU 12 -2.308 4.282 -0.435
84 HG LEU 12 HG LEU 12 -2.302 5.447 -2.578
85 1HD1 LEU 12 1HD1 LEU 12 -2.940 2.705 -3.792
86 2HD1 LEU 12 2HD1 LEU 12 -2.979 4.249 -4.662
87 3HD1 LEU 12 3HD1 LEU 12 -1.444 3.608 -4.067
88 1HD2 LEU 12 1HD2 LEU 12 -4.405 5.245 -1.419
89 2HD2 LEU 12 2HD2 LEU 12 -4.689 5.106 -3.159
90 3HD2 LEU 12 3HD2 LEU 12 -4.711 3.650 -2.141
91 H ASP 13 H ASP 13 0.663 5.121 0.181
92 HA ASP 13 HA ASP 13 1.074 7.303 -1.650
93 1HB ASP 13 1HB ASP 13 0.449 7.450 0.768
94 2HB ASP 13 2HB ASP 13 2.027 6.798 1.198
95 H SER 14 H SER 14 3.828 7.270 0.192
96 HA SER 14 HA SER 14 5.462 6.596 -2.162
97 1HB SER 14 1HB SER 14 6.094 8.112 0.398
98 2HB SER 14 2HB SER 14 7.178 7.911 -1.003
99 HG SER 14 HG SER 14 5.519 8.928 -2.254
100 H ARG 15 H ARG 15 7.193 6.446 0.782
101 HA ARG 15 HA ARG 15 8.523 4.153 0.265
102 1HB ARG 15 1HB ARG 15 9.055 5.863 1.957
103 2HB ARG 15 2HB ARG 15 7.823 5.216 3.040
104 1HG ARG 15 1HG ARG 15 10.202 3.607 1.993
105 2HG ARG 15 2HG ARG 15 10.238 4.575 3.468
106 1HD ARG 15 1HD ARG 15 8.312 3.212 4.369
107 2HD ARG 15 2HD ARG 15 8.520 2.095 3.023
108 HE ARG 15 HE ARG 15 10.150 2.313 5.373
109 1HH1 ARG 15 1HH1 ARG 15 10.280 1.396 1.928
110 2HH1 ARG 15 2HH1 ARG 15 11.613 0.292 2.168
111 1HH2 ARG 15 1HH2 ARG 15 11.871 0.853 5.638
112 2HH2 ARG 15 2HH2 ARG 15 12.510 -0.019 4.263
113 H ARG 16 H ARG 16 5.665 4.359 2.420
114 HA ARG 16 HA ARG 16 5.471 1.750 3.294
115 1HB ARG 16 1HB ARG 16 3.308 3.768 2.569
116 2HB ARG 16 2HB ARG 16 3.016 2.274 3.493
117 1HG ARG 16 1HG ARG 16 4.583 2.921 5.189
118 2HG ARG 16 2HG ARG 16 4.950 4.442 4.342
119 1HD ARG 16 1HD ARG 16 2.169 3.622 5.280
120 2HD ARG 16 2HD ARG 16 3.231 4.661 6.232
121 HE ARG 16 HE ARG 16 1.704 5.353 3.836
122 1HH1 ARG 16 1HH1 ARG 16 4.510 6.317 5.810
123 2HH1 ARG 16 2HH1 ARG 16 4.415 7.989 5.311
124 1HH2 ARG 16 1HH2 ARG 16 1.594 7.541 3.245
125 2HH2 ARG 16 2HH2 ARG 16 2.775 8.680 3.848
126 H ALA 17 H ALA 17 4.086 3.117 0.268
127 HA ALA 17 HA ALA 17 2.797 0.719 -0.579
128 1HB ALA 17 1HB ALA 17 2.296 2.980 -1.448
129 2HB ALA 17 2HB ALA 17 3.870 3.014 -2.257
130 3HB ALA 17 3HB ALA 17 2.656 1.815 -2.742
131 H GLN 18 H GLN 18 6.143 1.938 -0.919
132 HA GLN 18 HA GLN 18 6.836 0.030 -3.000
133 1HB GLN 18 1HB GLN 18 8.840 1.377 -1.156
134 2HB GLN 18 2HB GLN 18 9.075 0.743 -2.784
135 1HG GLN 18 1HG GLN 18 7.715 3.284 -1.909
136 2HG GLN 18 2HG GLN 18 9.078 3.088 -2.997
137 1HE2 GLN 18 2HE2 GLN 18 5.837 3.826 -2.909
138 2HE2 GLN 18 1HE2 GLN 18 5.399 3.401 -4.554
139 H ASP 19 H ASP 19 7.186 0.219 0.496
140 HA ASP 19 HA ASP 19 8.785 -2.131 0.885
141 1HB ASP 19 1HB ASP 19 8.537 -0.264 2.517
142 2HB ASP 19 2HB ASP 19 6.854 -0.721 2.789
143 H PHE 20 H PHE 20 5.302 -1.399 0.988
144 HA PHE 20 HA PHE 20 4.318 -3.942 1.633
145 1HB PHE 20 1HB PHE 20 3.015 -1.921 1.767
146 2HB PHE 20 2HB PHE 20 3.102 -1.683 0.019
147 HD1 PHE 20 HD1 PHE 20 1.826 -3.978 2.683
148 HD2 PHE 20 HD2 PHE 20 1.503 -2.710 -1.423
149 HE1 PHE 20 HE1 PHE 20 -0.229 -5.348 2.420
150 HE2 PHE 20 HE2 PHE 20 -0.540 -4.098 -1.690
151 HZ PHE 20 HZ PHE 20 -1.405 -5.421 0.229
152 H VAL 21 H VAL 21 5.087 -2.540 -1.687
153 HA VAL 21 HA VAL 21 3.969 -4.978 -2.843
154 HB VAL 21 HB VAL 21 4.789 -4.275 -4.998
155 1HG1 VAL 21 1HG2 VAL 21 3.334 -2.314 -5.235
156 2HG1 VAL 21 2HG2 VAL 21 2.595 -3.562 -4.218
157 3HG1 VAL 21 3HG2 VAL 21 3.289 -2.112 -3.474
158 1HG2 VAL 21 1HG1 VAL 21 5.794 -2.079 -5.362
159 2HG2 VAL 21 2HG1 VAL 21 5.895 -1.827 -3.615
160 3HG2 VAL 21 3HG1 VAL 21 6.865 -3.097 -4.388
161 H GLN 22 H GLN 22 7.284 -3.933 -2.054
162 HA GLN 22 HA GLN 22 8.658 -6.176 -3.123
163 1HB GLN 22 1HB GLN 22 9.125 -4.519 -0.605
164 2HB GLN 22 2HB GLN 22 10.270 -5.724 -1.203
165 1HG GLN 22 1HG GLN 22 9.281 -3.378 -2.865
166 2HG GLN 22 2HG GLN 22 10.731 -3.329 -1.853
167 1HE2 GLN 22 2HE2 GLN 22 12.364 -5.182 -2.310
168 2HE2 GLN 22 1HE2 GLN 22 12.602 -5.604 -3.993
169 H TRP 23 H TRP 23 6.860 -5.724 -0.069
170 HA TRP 23 HA TRP 23 7.748 -8.169 1.170
171 1HB TRP 23 1HB TRP 23 6.969 -6.469 2.622
172 2HB TRP 23 2HB TRP 23 5.532 -6.163 1.649
173 HD1 TRP 23 HD1 TRP 23 6.929 -8.975 3.797
174 HE1 TRP 23 HE1 TRP 23 4.926 -10.337 4.827
175 HE3 TRP 23 HE3 TRP 23 3.161 -6.726 1.345
176 HZ2 TRP 23 HZ2 TRP 23 2.093 -10.447 4.480
177 HZ3 TRP 23 HZ3 TRP 23 0.800 -7.551 1.568
178 HH2 TRP 23 HH2 TRP 23 0.274 -9.384 3.166
179 H LEU 24 H LEU 24 4.721 -7.141 -0.357
180 HA LEU 24 HA LEU 24 3.223 -9.444 -0.346
181 1HB LEU 24 1HB LEU 24 2.474 -7.204 -1.031
182 2HB LEU 24 2HB LEU 24 3.473 -7.300 -2.484
183 HG LEU 24 HG LEU 24 2.080 -9.158 -3.346
184 1HD1 LEU 24 1HD1 LEU 24 -0.089 -9.671 -2.203
185 2HD1 LEU 24 2HD1 LEU 24 1.306 -10.210 -1.264
186 3HD1 LEU 24 3HD1 LEU 24 0.447 -8.723 -0.801
187 1HD2 LEU 24 1HD2 LEU 24 0.472 -6.729 -2.447
188 2HD2 LEU 24 2HD2 LEU 24 1.523 -6.809 -3.878
189 3HD2 LEU 24 3HD2 LEU 24 0.066 -7.816 -3.793
190 H MET 25 H MET 25 5.763 -8.457 -2.625
191 HA MET 25 HA MET 25 5.445 -10.718 -4.409
192 1HB MET 25 1HB MET 25 7.638 -8.649 -4.043
193 2HB MET 25 2HB MET 25 7.752 -9.960 -5.223
194 1HG MET 25 1HG MET 25 5.431 -7.998 -5.151
195 2HG MET 25 2HG MET 25 6.884 -7.784 -6.132
196 1HE MET 25 1HE MET 25 5.328 -7.436 -8.228
197 2HE MET 25 2HE MET 25 4.090 -8.604 -8.744
198 3HE MET 25 3HE MET 25 3.886 -7.709 -7.221
199 H ASN 26 H ASN 26 7.684 -9.993 -1.673
200 HA ASN 26 HA ASN 26 9.242 -12.351 -1.923
201 1HB ASN 26 1HB ASN 26 8.577 -10.797 0.617
202 2HB ASN 26 2HB ASN 26 9.878 -11.972 0.424
203 1HD2 ASN 26 2HD2 ASN 26 10.818 -11.125 -2.216
204 2HD2 ASN 26 1HD2 ASN 26 11.564 -9.561 -1.981
205 H THR 27 H THR 27 6.337 -11.745 0.136
206 HA THR 27 HA THR 27 6.334 -14.426 1.166
207 HB THR 27 HB THR 27 5.404 -12.434 2.306
208 HG1 THR 27 HG1 THR 27 3.673 -13.636 3.171
209 1HG2 THR 27 1HG2 THR 27 2.933 -12.806 0.567
210 2HG2 THR 27 2HG2 THR 27 3.158 -11.669 1.903
211 3HG2 THR 27 3HG2 THR 27 4.087 -11.463 0.412
212 1HN NH2 28 1H NH2 28 4.535 -12.800 -1.511
213 2HN NH2 28 2H NH2 28 3.879 -14.285 -2.156
Start of MODEL 12
1 1H SER 1 1H SER 1 -10.180 -1.237 4.088
2 2H SER 1 2H SER 1 -10.955 -2.035 2.872
3 3H SER 1 3H SER 1 -11.714 -0.805 3.667
4 HA SER 1 HA SER 1 -11.736 -2.008 5.680
5 1HB SER 1 1HB SER 1 -13.393 -3.732 5.058
6 2HB SER 1 2HB SER 1 -13.686 -2.172 4.275
7 HG SER 1 HG SER 1 -12.560 -3.079 2.413
8 H GLN 2 H GLN 2 -11.476 -4.792 3.535
9 HA GLN 2 HA GLN 2 -9.605 -6.118 5.370
10 1HB GLN 2 1HB GLN 2 -9.973 -8.059 3.880
11 2HB GLN 2 2HB GLN 2 -11.440 -7.422 4.621
12 1HG GLN 2 1HG GLN 2 -12.198 -6.420 2.586
13 2HG GLN 2 2HG GLN 2 -10.647 -6.660 1.776
14 1HE2 GLN 2 2HE2 GLN 2 -9.898 -9.011 1.593
15 2HE2 GLN 2 1HE2 GLN 2 -11.138 -10.189 1.212
16 H GLY 3 H GLY 3 -8.140 -4.142 4.681
17 1HA GLY 3 1HA GLY 3 -6.123 -3.546 3.775
18 2HA GLY 3 2HA GLY 3 -5.985 -5.149 3.039
19 H THR 4 H THR 4 -8.531 -2.652 2.681
20 HA THR 4 HA THR 4 -7.937 -2.310 -0.214
21 HB THR 4 HB THR 4 -10.417 -2.523 -0.601
22 HG1 THR 4 HG1 THR 4 -10.384 -3.744 1.955
23 1HG2 THR 4 1HG2 THR 4 -8.877 -4.376 -1.170
24 2HG2 THR 4 2HG2 THR 4 -9.089 -5.055 0.457
25 3HG2 THR 4 3HG2 THR 4 -10.470 -4.958 -0.649
26 H THR 5 H THR 5 -9.120 -0.505 -1.117
27 HA THR 5 HA THR 5 -9.443 1.700 -1.244
28 HB THR 5 HB THR 5 -11.531 1.013 0.864
29 HG1 THR 5 HG1 THR 5 -11.539 0.762 -1.951
30 1HG2 THR 5 1HG2 THR 5 -11.449 3.463 0.368
31 2HG2 THR 5 2HG2 THR 5 -11.496 3.104 -1.370
32 3HG2 THR 5 3HG2 THR 5 -12.885 2.711 -0.339
33 H SER 6 H SER 6 -10.387 2.010 2.161
34 HA SER 6 HA SER 6 -8.818 4.345 2.510
35 1HB SER 6 1HB SER 6 -9.573 4.084 4.895
36 2HB SER 6 2HB SER 6 -10.882 4.004 3.702
37 HG SER 6 HG SER 6 -9.611 1.794 4.952
38 H GLU 7 H GLU 7 -8.129 0.933 3.095
39 HA GLU 7 HA GLU 7 -5.805 1.509 4.813
40 1HB GLU 7 1HB GLU 7 -7.306 -0.351 5.384
41 2HB GLU 7 2HB GLU 7 -7.041 -1.086 3.795
42 1HG GLU 7 1HG GLU 7 -5.704 -2.149 5.608
43 2HG GLU 7 2HG GLU 7 -4.718 -1.503 4.293
44 H TYR 8 H TYR 8 -6.701 0.286 1.587
45 HA TYR 8 HA TYR 8 -4.148 -0.256 0.548
46 1HB TYR 8 1HB TYR 8 -6.181 -0.889 -0.588
47 2HB TYR 8 2HB TYR 8 -6.670 0.798 -0.774
48 HD1 TYR 8 HD1 TYR 8 -4.089 -1.698 -1.759
49 HD2 TYR 8 HD2 TYR 8 -5.807 2.172 -2.548
50 HE1 TYR 8 HE1 TYR 8 -2.598 -1.441 -3.695
51 HE2 TYR 8 HE2 TYR 8 -4.386 2.409 -4.530
52 HH TYR 8 HH TYR 8 -2.746 1.425 -5.864
53 H SER 9 H SER 9 -5.928 2.837 0.802
54 HA SER 9 HA SER 9 -4.261 4.506 -0.674
55 1HB SER 9 1HB SER 9 -5.862 5.113 1.840
56 2HB SER 9 2HB SER 9 -5.155 6.331 0.763
57 HG SER 9 HG SER 9 -7.040 4.355 0.003
58 H LYS 10 H LYS 10 -3.470 2.970 2.407
59 HA LYS 10 HA LYS 10 -1.376 4.861 3.119
60 1HB LYS 10 1HB LYS 10 -1.743 1.968 3.963
61 2HB LYS 10 2HB LYS 10 -0.764 3.200 4.751
62 1HG LYS 10 1HG LYS 10 -3.819 3.138 4.599
63 2HG LYS 10 2HG LYS 10 -2.793 2.783 5.978
64 1HD LYS 10 1HD LYS 10 -3.460 4.882 6.498
65 2HD LYS 10 2HD LYS 10 -1.926 5.250 5.703
66 1HE LYS 10 1HE LYS 10 -3.148 5.978 3.676
67 2HE LYS 10 2HE LYS 10 -4.662 5.332 4.322
68 1HZ LYS 10 1HZ LYS 10 -4.529 6.960 6.048
69 2HZ LYS 10 2HZ LYS 10 -3.107 7.541 5.448
70 3HZ LYS 10 3HZ LYS 10 -4.492 7.676 4.563
71 H TYR 11 H TYR 11 -1.465 1.544 1.645
72 HA TYR 11 HA TYR 11 1.342 1.852 0.841
73 1HB TYR 11 1HB TYR 11 1.004 -0.565 0.148
74 2HB TYR 11 2HB TYR 11 1.119 -0.144 1.855
75 HD1 TYR 11 HD1 TYR 11 -1.135 -1.463 -0.773
76 HD2 TYR 11 HD2 TYR 11 -0.679 -0.460 3.399
77 HE1 TYR 11 HE1 TYR 11 -2.994 -2.992 -0.194
78 HE2 TYR 11 HE2 TYR 11 -2.499 -2.027 3.971
79 HH TYR 11 HH TYR 11 -4.366 -3.795 1.478
80 H LEU 12 H LEU 12 0.237 3.626 -0.289
81 HA LEU 12 HA LEU 12 -0.073 2.944 -3.110
82 1HB LEU 12 1HB LEU 12 -2.311 3.164 -2.299
83 2HB LEU 12 2HB LEU 12 -1.936 4.646 -1.429
84 HG LEU 12 HG LEU 12 -3.342 4.845 -3.469
85 1HD1 LEU 12 1HD1 LEU 12 -0.849 6.568 -3.665
86 2HD1 LEU 12 2HD1 LEU 12 -2.487 6.934 -4.205
87 3HD1 LEU 12 3HD1 LEU 12 -2.149 6.788 -2.473
88 1HD2 LEU 12 1HD2 LEU 12 -0.751 4.439 -5.028
89 2HD2 LEU 12 2HD2 LEU 12 -2.058 3.248 -4.904
90 3HD2 LEU 12 3HD2 LEU 12 -2.354 4.812 -5.685
91 H ASP 13 H ASP 13 0.291 5.337 -0.537
92 HA ASP 13 HA ASP 13 1.269 7.607 -1.572
93 1HB ASP 13 1HB ASP 13 0.717 7.189 0.744
94 2HB ASP 13 2HB ASP 13 2.115 6.133 0.929
95 H SER 14 H SER 14 3.871 5.969 -0.010
96 HA SER 14 HA SER 14 5.568 6.014 -2.437
97 1HB SER 14 1HB SER 14 7.182 7.582 -1.421
98 2HB SER 14 2HB SER 14 5.613 8.331 -1.754
99 HG SER 14 HG SER 14 5.094 8.084 0.448
100 H ARG 15 H ARG 15 6.876 6.291 0.821
101 HA ARG 15 HA ARG 15 8.645 4.153 0.475
102 1HB ARG 15 1HB ARG 15 8.864 5.994 2.109
103 2HB ARG 15 2HB ARG 15 7.602 5.288 3.114
104 1HG ARG 15 1HG ARG 15 10.271 3.967 2.410
105 2HG ARG 15 2HG ARG 15 9.914 4.863 3.890
106 1HD ARG 15 1HD ARG 15 8.051 3.155 4.345
107 2HD ARG 15 2HD ARG 15 8.784 2.172 3.056
108 HE ARG 15 HE ARG 15 10.841 2.907 4.817
109 1HH1 ARG 15 1HH1 ARG 15 7.916 0.880 4.781
110 2HH1 ARG 15 2HH1 ARG 15 8.559 -0.264 5.934
111 1HH2 ARG 15 1HH2 ARG 15 11.653 1.388 6.318
112 2HH2 ARG 15 2HH2 ARG 15 10.676 0.023 6.806
113 H ARG 16 H ARG 16 5.784 4.183 2.638
114 HA ARG 16 HA ARG 16 5.763 1.447 3.219
115 1HB ARG 16 1HB ARG 16 3.425 1.825 3.948
116 2HB ARG 16 2HB ARG 16 4.601 2.970 4.607
117 1HG ARG 16 1HG ARG 16 3.885 4.703 3.021
118 2HG ARG 16 2HG ARG 16 2.788 3.557 2.233
119 1HD ARG 16 1HD ARG 16 1.473 3.364 4.292
120 2HD ARG 16 2HD ARG 16 2.639 4.379 5.164
121 HE ARG 16 HE ARG 16 1.323 5.501 2.767
122 1HH1 ARG 16 1HH1 ARG 16 1.298 5.379 6.335
123 2HH1 ARG 16 2HH1 ARG 16 0.336 6.830 6.471
124 1HH2 ARG 16 1HH2 ARG 16 0.110 7.395 3.000
125 2HH2 ARG 16 2HH2 ARG 16 -0.346 7.965 4.589
126 H ALA 17 H ALA 17 4.645 3.039 0.270
127 HA ALA 17 HA ALA 17 2.830 0.904 -0.521
128 1HB ALA 17 1HB ALA 17 2.616 3.299 -1.202
129 2HB ALA 17 2HB ALA 17 4.070 3.137 -2.180
130 3HB ALA 17 3HB ALA 17 2.641 2.163 -2.576
131 H GLN 18 H GLN 18 6.046 2.036 -1.598
132 HA GLN 18 HA GLN 18 6.661 -0.146 -3.317
133 1HB GLN 18 1HB GLN 18 8.225 1.933 -1.752
134 2HB GLN 18 2HB GLN 18 9.082 0.657 -2.609
135 1HG GLN 18 1HG GLN 18 8.622 2.984 -3.759
136 2HG GLN 18 2HG GLN 18 8.634 1.463 -4.659
137 1HE2 GLN 18 2HE2 GLN 18 6.372 3.868 -3.171
138 2HE2 GLN 18 1HE2 GLN 18 5.093 3.544 -4.319
139 H ASP 19 H ASP 19 7.317 0.351 0.167
140 HA ASP 19 HA ASP 19 8.777 -2.029 0.623
141 1HB ASP 19 1HB ASP 19 8.687 -0.147 2.194
142 2HB ASP 19 2HB ASP 19 6.966 -0.443 2.486
143 H PHE 20 H PHE 20 5.250 -1.341 0.936
144 HA PHE 20 HA PHE 20 4.419 -3.932 1.665
145 1HB PHE 20 1HB PHE 20 3.029 -1.952 1.844
146 2HB PHE 20 2HB PHE 20 2.982 -1.784 0.088
147 HD1 PHE 20 HD1 PHE 20 1.651 -3.537 3.018
148 HD2 PHE 20 HD2 PHE 20 1.672 -3.383 -1.288
149 HE1 PHE 20 HE1 PHE 20 -0.392 -4.951 2.956
150 HE2 PHE 20 HE2 PHE 20 -0.339 -4.846 -1.349
151 HZ PHE 20 HZ PHE 20 -1.379 -5.616 0.774
152 H VAL 21 H VAL 21 5.106 -2.528 -1.601
153 HA VAL 21 HA VAL 21 4.052 -4.822 -2.987
154 HB VAL 21 HB VAL 21 5.885 -2.550 -3.822
155 1HG1 VAL 21 1HG1 VAL 21 6.587 -4.435 -5.202
156 2HG1 VAL 21 2HG1 VAL 21 4.891 -4.871 -5.522
157 3HG1 VAL 21 3HG1 VAL 21 5.570 -3.361 -6.166
158 1HG2 VAL 21 1HG2 VAL 21 3.941 -1.859 -5.121
159 2HG2 VAL 21 2HG2 VAL 21 3.067 -3.342 -4.688
160 3HG2 VAL 21 3HG2 VAL 21 3.411 -2.124 -3.452
161 H GLN 22 H GLN 22 7.393 -3.963 -1.979
162 HA GLN 22 HA GLN 22 8.662 -6.309 -2.968
163 1HB GLN 22 1HB GLN 22 9.256 -4.678 -0.461
164 2HB GLN 22 2HB GLN 22 10.354 -5.858 -1.185
165 1HG GLN 22 1HG GLN 22 9.328 -3.383 -2.622
166 2HG GLN 22 2HG GLN 22 10.838 -3.476 -1.713
167 1HE2 GLN 22 2HE2 GLN 22 9.107 -4.567 -4.625
168 2HE2 GLN 22 1HE2 GLN 22 10.518 -5.170 -5.470
169 H TRP 23 H TRP 23 6.731 -5.726 -0.051
170 HA TRP 23 HA TRP 23 7.536 -8.145 1.322
171 1HB TRP 23 1HB TRP 23 6.712 -6.379 2.662
172 2HB TRP 23 2HB TRP 23 5.321 -6.109 1.621
173 HD1 TRP 23 HD1 TRP 23 6.619 -8.818 3.939
174 HE1 TRP 23 HE1 TRP 23 4.568 -10.099 4.987
175 HE3 TRP 23 HE3 TRP 23 2.957 -6.673 1.252
176 HZ2 TRP 23 HZ2 TRP 23 1.750 -10.225 4.532
177 HZ3 TRP 23 HZ3 TRP 23 0.585 -7.488 1.420
178 HH2 TRP 23 HH2 TRP 23 -0.012 -9.228 3.093
179 H LEU 24 H LEU 24 4.563 -7.139 -0.346
180 HA LEU 24 HA LEU 24 3.110 -9.472 -0.453
181 1HB LEU 24 1HB LEU 24 2.411 -7.214 -1.126
182 2HB LEU 24 2HB LEU 24 3.420 -7.286 -2.563
183 HG LEU 24 HG LEU 24 0.946 -7.583 -2.849
184 1HD1 LEU 24 1HD1 LEU 24 2.481 -9.953 -3.962
185 2HD1 LEU 24 2HD1 LEU 24 1.048 -9.161 -4.615
186 3HD1 LEU 24 3HD1 LEU 24 2.591 -8.292 -4.583
187 1HD2 LEU 24 1HD2 LEU 24 -0.132 -9.690 -2.379
188 2HD2 LEU 24 2HD2 LEU 24 1.361 -10.378 -1.719
189 3HD2 LEU 24 3HD2 LEU 24 0.547 -9.039 -0.875
190 H MET 25 H MET 25 5.757 -8.408 -2.562
191 HA MET 25 HA MET 25 5.621 -10.563 -4.466
192 1HB MET 25 1HB MET 25 7.736 -8.551 -3.664
193 2HB MET 25 2HB MET 25 8.102 -9.845 -4.810
194 1HG MET 25 1HG MET 25 6.410 -9.118 -6.342
195 2HG MET 25 2HG MET 25 5.764 -7.940 -5.196
196 1HE MET 25 1HE MET 25 5.803 -6.293 -7.300
197 2HE MET 25 2HE MET 25 7.290 -5.804 -8.145
198 3HE MET 25 3HE MET 25 6.663 -7.458 -8.332
199 H ASN 26 H ASN 26 7.876 -9.974 -1.713
200 HA ASN 26 HA ASN 26 9.322 -12.364 -1.902
201 1HB ASN 26 1HB ASN 26 8.656 -10.672 0.545
202 2HB ASN 26 2HB ASN 26 9.879 -11.951 0.507
203 1HD2 ASN 26 2HD2 ASN 26 10.682 -9.463 1.275
204 2HD2 ASN 26 1HD2 ASN 26 11.661 -8.731 0.020
205 H THR 27 H THR 27 6.314 -11.702 -0.078
206 HA THR 27 HA THR 27 6.180 -14.318 1.124
207 HB THR 27 HB THR 27 3.858 -13.616 1.695
208 HG1 THR 27 HG1 THR 27 4.575 -11.192 0.401
209 1HG2 THR 27 1HG2 THR 27 5.801 -13.040 3.133
210 2HG2 THR 27 2HG2 THR 27 6.002 -11.511 2.258
211 3HG2 THR 27 3HG2 THR 27 4.522 -11.811 3.191
212 1HN NH2 28 1H NH2 28 4.412 -12.808 -1.663
213 2HN NH2 28 2H NH2 28 3.971 -14.339 -2.391
Start of MODEL 13
1 1H SER 1 1H SER 1 -9.378 5.676 10.799
2 2H SER 1 2H SER 1 -8.170 4.855 10.031
3 3H SER 1 3H SER 1 -8.090 6.496 10.177
4 HA SER 1 HA SER 1 -8.668 5.895 7.982
5 1HB SER 1 1HB SER 1 -10.828 4.773 7.532
6 2HB SER 1 2HB SER 1 -9.725 3.742 8.460
7 HG SER 1 HG SER 1 -10.875 4.365 10.342
8 H GLN 2 H GLN 2 -10.062 7.211 6.691
9 HA GLN 2 HA GLN 2 -12.065 8.914 7.907
10 1HB GLN 2 1HB GLN 2 -10.935 11.038 7.386
11 2HB GLN 2 2HB GLN 2 -10.076 10.120 8.627
12 1HG GLN 2 1HG GLN 2 -8.463 9.317 6.852
13 2HG GLN 2 2HG GLN 2 -9.306 10.343 5.680
14 1HE2 GLN 2 2HE2 GLN 2 -7.686 10.514 8.902
15 2HE2 GLN 2 1HE2 GLN 2 -6.996 12.103 8.640
16 H GLY 3 H GLY 3 -13.486 9.658 6.359
17 1HA GLY 3 1HA GLY 3 -14.504 9.855 4.331
18 2HA GLY 3 2HA GLY 3 -12.901 10.018 3.601
19 H THR 4 H THR 4 -12.216 8.360 2.317
20 HA THR 4 HA THR 4 -13.136 5.626 2.514
21 HB THR 4 HB THR 4 -14.109 7.338 0.182
22 HG1 THR 4 HG1 THR 4 -16.144 6.689 0.932
23 1HG2 THR 4 1HG2 THR 4 -14.369 4.342 0.704
24 2HG2 THR 4 2HG2 THR 4 -15.188 5.237 -0.593
25 3HG2 THR 4 3HG2 THR 4 -13.426 5.093 -0.603
26 H THR 5 H THR 5 -12.058 7.952 0.163
27 HA THR 5 HA THR 5 -10.335 6.224 -1.263
28 HB THR 5 HB THR 5 -9.476 8.350 -2.312
29 HG1 THR 5 HG1 THR 5 -10.517 10.264 -1.635
30 1HG2 THR 5 1HG2 THR 5 -11.514 7.214 -3.172
31 2HG2 THR 5 2HG2 THR 5 -12.517 8.175 -2.063
32 3HG2 THR 5 3HG2 THR 5 -11.603 8.974 -3.356
33 H SER 6 H SER 6 -9.668 8.581 1.305
34 HA SER 6 HA SER 6 -6.933 8.688 1.343
35 1HB SER 6 1HB SER 6 -8.711 8.536 3.795
36 2HB SER 6 2HB SER 6 -7.143 9.349 3.658
37 HG SER 6 HG SER 6 -8.120 10.717 2.074
38 H GLU 7 H GLU 7 -8.970 5.978 2.472
39 HA GLU 7 HA GLU 7 -7.077 4.711 4.123
40 1HB GLU 7 1HB GLU 7 -9.462 3.679 2.562
41 2HB GLU 7 2HB GLU 7 -8.409 2.592 3.465
42 1HG GLU 7 1HG GLU 7 -10.341 3.224 4.811
43 2HG GLU 7 2HG GLU 7 -8.819 3.730 5.550
44 H TYR 8 H TYR 8 -7.838 4.063 0.632
45 HA TYR 8 HA TYR 8 -5.629 2.238 0.412
46 1HB TYR 8 1HB TYR 8 -6.128 2.080 -1.914
47 2HB TYR 8 2HB TYR 8 -7.595 1.957 -0.959
48 HD1 TYR 8 HD1 TYR 8 -5.558 4.398 -2.998
49 HD2 TYR 8 HD2 TYR 8 -9.469 3.223 -1.616
50 HE1 TYR 8 HE1 TYR 8 -6.588 6.106 -4.458
51 HE2 TYR 8 HE2 TYR 8 -10.500 4.775 -3.251
52 HH TYR 8 HH TYR 8 -8.547 7.015 -5.250
53 H SER 9 H SER 9 -5.989 5.692 -0.089
54 HA SER 9 HA SER 9 -3.962 6.275 -1.841
55 1HB SER 9 1HB SER 9 -4.786 7.880 0.591
56 2HB SER 9 2HB SER 9 -3.846 8.484 -0.783
57 HG SER 9 HG SER 9 -6.456 7.373 -0.935
58 H LYS 10 H LYS 10 -3.560 5.348 1.588
59 HA LYS 10 HA LYS 10 -0.892 6.249 1.914
60 1HB LYS 10 1HB LYS 10 -2.309 3.949 3.298
61 2HB LYS 10 2HB LYS 10 -0.919 4.858 3.895
62 1HG LYS 10 1HG LYS 10 -3.773 5.879 3.566
63 2HG LYS 10 2HG LYS 10 -2.907 5.513 5.043
64 1HD LYS 10 1HD LYS 10 -2.809 7.778 5.016
65 2HD LYS 10 2HD LYS 10 -1.228 7.361 4.354
66 1HE LYS 10 1HE LYS 10 -2.014 8.024 2.081
67 2HE LYS 10 2HE LYS 10 -3.670 8.145 2.676
68 1HZ LYS 10 1HZ LYS 10 -1.404 9.799 3.512
69 2HZ LYS 10 2HZ LYS 10 -2.607 10.245 2.476
70 3HZ LYS 10 3HZ LYS 10 -2.954 9.943 4.060
71 H TYR 11 H TYR 11 -2.119 2.911 1.176
72 HA TYR 11 HA TYR 11 0.628 2.014 0.747
73 1HB TYR 11 1HB TYR 11 -0.428 -0.144 0.278
74 2HB TYR 11 2HB TYR 11 -0.796 0.547 1.856
75 HD1 TYR 11 HD1 TYR 11 -2.250 0.192 -1.612
76 HD2 TYR 11 HD2 TYR 11 -3.013 0.566 2.620
77 HE1 TYR 11 HE1 TYR 11 -4.622 -0.392 -1.983
78 HE2 TYR 11 HE2 TYR 11 -5.362 -0.099 2.253
79 HH TYR 11 HH TYR 11 -6.954 -0.740 0.715
80 H LEU 12 H LEU 12 -1.334 3.896 -1.066
81 HA LEU 12 HA LEU 12 -0.443 2.844 -3.652
82 1HB LEU 12 1HB LEU 12 -2.771 3.313 -3.496
83 2HB LEU 12 2HB LEU 12 -2.471 4.859 -2.707
84 HG LEU 12 HG LEU 12 -1.600 5.836 -4.744
85 1HD1 LEU 12 1HD2 LEU 12 -0.691 3.745 -5.860
86 2HD1 LEU 12 2HD2 LEU 12 -2.351 3.156 -6.051
87 3HD1 LEU 12 3HD2 LEU 12 -1.814 4.610 -6.917
88 1HD2 LEU 12 1HD1 LEU 12 -4.289 4.480 -5.138
89 2HD2 LEU 12 2HD1 LEU 12 -3.986 6.002 -4.266
90 3HD2 LEU 12 3HD1 LEU 12 -3.700 5.910 -6.011
91 H ASP 13 H ASP 13 0.477 5.080 -1.167
92 HA ASP 13 HA ASP 13 1.467 7.183 -2.854
93 1HB ASP 13 1HB ASP 13 0.500 7.467 -0.586
94 2HB ASP 13 2HB ASP 13 1.920 6.682 0.100
95 H SER 14 H SER 14 3.875 6.918 -0.598
96 HA SER 14 HA SER 14 5.788 6.120 -2.721
97 1HB SER 14 1HB SER 14 6.094 7.958 -0.322
98 2HB SER 14 2HB SER 14 7.331 7.614 -1.558
99 HG SER 14 HG SER 14 4.775 8.762 -2.001
100 H ARG 15 H ARG 15 7.258 6.385 0.324
101 HA ARG 15 HA ARG 15 8.601 4.052 0.130
102 1HB ARG 15 1HB ARG 15 9.271 5.850 1.590
103 2HB ARG 15 2HB ARG 15 7.856 5.618 2.623
104 1HG ARG 15 1HG ARG 15 9.878 4.725 3.653
105 2HG ARG 15 2HG ARG 15 8.699 3.443 3.382
106 1HD ARG 15 1HD ARG 15 9.942 2.686 1.382
107 2HD ARG 15 2HD ARG 15 11.094 4.012 1.568
108 HE ARG 15 HE ARG 15 10.939 1.491 3.026
109 1HH1 ARG 15 1HH1 ARG 15 12.186 4.825 3.221
110 2HH1 ARG 15 2HH1 ARG 15 13.428 4.402 4.376
111 1HH2 ARG 15 1HH2 ARG 15 12.564 0.987 4.533
112 2HH2 ARG 15 2HH2 ARG 15 13.640 2.234 5.122
113 H ARG 16 H ARG 16 5.690 4.462 2.227
114 HA ARG 16 HA ARG 16 5.647 1.836 3.222
115 1HB ARG 16 1HB ARG 16 3.329 2.266 3.836
116 2HB ARG 16 2HB ARG 16 4.390 3.627 4.205
117 1HG ARG 16 1HG ARG 16 3.591 4.695 2.018
118 2HG ARG 16 2HG ARG 16 2.378 3.405 1.935
119 1HD ARG 16 1HD ARG 16 1.229 4.191 3.819
120 2HD ARG 16 2HD ARG 16 2.633 5.069 4.445
121 HE ARG 16 HE ARG 16 1.374 5.913 1.900
122 1HH1 ARG 16 1HH1 ARG 16 2.003 6.731 5.327
123 2HH1 ARG 16 2HH1 ARG 16 1.587 8.409 5.091
124 1HH2 ARG 16 1HH2 ARG 16 0.861 8.101 1.663
125 2HH2 ARG 16 2HH2 ARG 16 0.933 9.182 3.035
126 H ALA 17 H ALA 17 4.074 3.158 0.267
127 HA ALA 17 HA ALA 17 2.790 0.799 -0.578
128 1HB ALA 17 1HB ALA 17 2.704 1.839 -2.762
129 2HB ALA 17 2HB ALA 17 2.395 3.064 -1.510
130 3HB ALA 17 3HB ALA 17 3.963 2.994 -2.327
131 H GLN 18 H GLN 18 6.124 2.019 -1.327
132 HA GLN 18 HA GLN 18 6.810 -0.135 -3.044
133 1HB GLN 18 1HB GLN 18 8.795 1.306 -1.236
134 2HB GLN 18 2HB GLN 18 9.093 0.472 -2.760
135 1HG GLN 18 1HG GLN 18 7.923 3.190 -2.271
136 2HG GLN 18 2HG GLN 18 9.224 2.708 -3.341
137 1HE2 GLN 18 2HE2 GLN 18 5.920 3.518 -3.166
138 2HE2 GLN 18 1HE2 GLN 18 5.455 3.017 -4.782
139 H ASP 19 H ASP 19 7.210 0.248 0.485
140 HA ASP 19 HA ASP 19 8.643 -2.139 0.990
141 1HB ASP 19 1HB ASP 19 8.445 -0.329 2.619
142 2HB ASP 19 2HB ASP 19 6.701 -0.581 2.748
143 H PHE 20 H PHE 20 5.110 -1.464 1.053
144 HA PHE 20 HA PHE 20 4.280 -4.117 1.619
145 1HB PHE 20 1HB PHE 20 2.844 -1.931 0.086
146 2HB PHE 20 2HB PHE 20 2.088 -3.367 0.773
147 HD1 PHE 20 HD1 PHE 20 1.657 -0.242 1.234
148 HD2 PHE 20 HD2 PHE 20 3.511 -3.394 3.526
149 HE1 PHE 20 HE1 PHE 20 1.171 0.985 3.331
150 HE2 PHE 20 HE2 PHE 20 3.079 -2.137 5.595
151 HZ PHE 20 HZ PHE 20 1.904 0.051 5.514
152 H VAL 21 H VAL 21 5.123 -2.567 -1.527
153 HA VAL 21 HA VAL 21 4.107 -4.812 -3.035
154 HB VAL 21 HB VAL 21 5.996 -2.534 -3.718
155 1HG1 VAL 21 1HG2 VAL 21 5.068 -4.800 -5.535
156 2HG1 VAL 21 2HG2 VAL 21 5.793 -3.280 -6.097
157 3HG1 VAL 21 3HG2 VAL 21 6.748 -4.394 -5.116
158 1HG2 VAL 21 1HG1 VAL 21 4.126 -1.786 -5.096
159 2HG2 VAL 21 2HG1 VAL 21 3.218 -3.272 -4.749
160 3HG2 VAL 21 3HG1 VAL 21 3.509 -2.092 -3.465
161 H GLN 22 H GLN 22 7.429 -3.937 -1.997
162 HA GLN 22 HA GLN 22 8.774 -6.217 -2.953
163 1HB GLN 22 1HB GLN 22 9.186 -4.609 -0.392
164 2HB GLN 22 2HB GLN 22 10.351 -5.775 -1.028
165 1HG GLN 22 1HG GLN 22 9.361 -3.342 -2.561
166 2HG GLN 22 2HG GLN 22 10.821 -3.377 -1.568
167 1HE2 GLN 22 2HE2 GLN 22 12.427 -5.214 -2.168
168 2HE2 GLN 22 1HE2 GLN 22 12.633 -5.536 -3.878
169 H TRP 23 H TRP 23 6.753 -5.774 -0.068
170 HA TRP 23 HA TRP 23 7.605 -8.213 1.253
171 1HB TRP 23 1HB TRP 23 6.780 -6.506 2.667
172 2HB TRP 23 2HB TRP 23 5.390 -6.193 1.629
173 HD1 TRP 23 HD1 TRP 23 6.678 -9.067 3.776
174 HE1 TRP 23 HE1 TRP 23 4.621 -10.401 4.733
175 HE3 TRP 23 HE3 TRP 23 3.014 -6.679 1.293
176 HZ2 TRP 23 HZ2 TRP 23 1.793 -10.422 4.341
177 HZ3 TRP 23 HZ3 TRP 23 0.619 -7.389 1.515
178 HH2 TRP 23 HH2 TRP 23 0.020 -9.258 3.048
179 H LEU 24 H LEU 24 4.622 -7.164 -0.397
180 HA LEU 24 HA LEU 24 3.159 -9.502 -0.410
181 1HB LEU 24 1HB LEU 24 2.351 -7.285 -1.074
182 2HB LEU 24 2HB LEU 24 3.392 -7.306 -2.500
183 HG LEU 24 HG LEU 24 2.087 -9.206 -3.438
184 1HD1 LEU 24 1HD1 LEU 24 1.280 -10.304 -1.392
185 2HD1 LEU 24 2HD1 LEU 24 0.364 -8.848 -0.940
186 3HD1 LEU 24 3HD1 LEU 24 -0.100 -9.795 -2.369
187 1HD2 LEU 24 1HD2 LEU 24 1.483 -6.874 -3.968
188 2HD2 LEU 24 2HD2 LEU 24 0.052 -7.921 -3.936
189 3HD2 LEU 24 3HD2 LEU 24 0.385 -6.833 -2.571
190 H MET 25 H MET 25 5.660 -8.405 -2.662
191 HA MET 25 HA MET 25 5.453 -10.592 -4.536
192 1HB MET 25 1HB MET 25 7.649 -8.574 -3.924
193 2HB MET 25 2HB MET 25 7.802 -9.800 -5.187
194 1HG MET 25 1HG MET 25 5.519 -7.790 -5.093
195 2HG MET 25 2HG MET 25 7.022 -7.551 -5.990
196 1HE MET 25 1HE MET 25 4.342 -8.115 -8.779
197 2HE MET 25 2HE MET 25 4.093 -7.311 -7.212
198 3HE MET 25 3HE MET 25 5.591 -7.026 -8.132
199 H ASN 26 H ASN 26 7.689 -9.918 -1.794
200 HA ASN 26 HA ASN 26 9.268 -12.218 -2.073
201 1HB ASN 26 1HB ASN 26 9.904 -10.267 -0.733
202 2HB ASN 26 2HB ASN 26 8.606 -10.603 0.424
203 1HD2 ASN 26 2HD2 ASN 26 11.491 -12.140 -1.109
204 2HD2 ASN 26 1HD2 ASN 26 11.965 -13.048 0.310
205 H THR 27 H THR 27 6.403 -11.714 0.073
206 HA THR 27 HA THR 27 6.502 -14.387 1.110
207 HB THR 27 HB THR 27 5.548 -12.369 2.242
208 HG1 THR 27 HG1 THR 27 3.950 -14.695 2.042
209 1HG2 THR 27 1HG2 THR 27 4.080 -11.547 0.378
210 2HG2 THR 27 2HG2 THR 27 3.017 -12.943 0.649
211 3HG2 THR 27 3HG2 THR 27 3.248 -11.744 1.928
212 1HN NH2 28 1H NH2 28 4.673 -12.823 -1.572
213 2HN NH2 28 2H NH2 28 3.981 -14.315 -2.162
Start of MODEL 14
1 1H SER 1 1H SER 1 -8.236 9.407 -12.520
2 2H SER 1 2H SER 1 -8.760 8.084 -13.355
3 3H SER 1 3H SER 1 -9.356 8.400 -11.848
4 HA SER 1 HA SER 1 -7.827 6.621 -11.755
5 1HB SER 1 1HB SER 1 -5.836 8.638 -12.874
6 2HB SER 1 2HB SER 1 -5.450 6.995 -12.322
7 HG SER 1 HG SER 1 -6.891 6.217 -13.926
8 H GLN 2 H GLN 2 -6.572 6.268 -9.910
9 HA GLN 2 HA GLN 2 -6.299 6.503 -7.699
10 1HB GLN 2 1HB GLN 2 -4.478 8.103 -7.097
11 2HB GLN 2 2HB GLN 2 -4.151 6.947 -8.386
12 1HG GLN 2 1HG GLN 2 -4.371 8.647 -10.104
13 2HG GLN 2 2HG GLN 2 -4.863 9.860 -8.914
14 1HE2 GLN 2 2HE2 GLN 2 -3.123 11.267 -9.357
15 2HE2 GLN 2 1HE2 GLN 2 -1.472 10.865 -8.937
16 H GLY 3 H GLY 3 -5.769 9.816 -7.164
17 1HA GLY 3 1HA GLY 3 -8.531 10.633 -6.843
18 2HA GLY 3 2HA GLY 3 -7.728 10.224 -5.310
19 H THR 4 H THR 4 -7.764 12.413 -4.614
20 HA THR 4 HA THR 4 -6.266 14.445 -6.142
21 HB THR 4 HB THR 4 -8.386 15.030 -5.047
22 HG1 THR 4 HG1 THR 4 -7.572 16.908 -4.100
23 1HG2 THR 4 1HG2 THR 4 -8.479 15.336 -2.598
24 2HG2 THR 4 2HG2 THR 4 -8.308 13.628 -3.019
25 3HG2 THR 4 3HG2 THR 4 -6.906 14.543 -2.421
26 H THR 5 H THR 5 -4.856 15.846 -4.495
27 HA THR 5 HA THR 5 -2.451 14.492 -4.176
28 HB THR 5 HB THR 5 -2.552 16.870 -4.403
29 HG1 THR 5 HG1 THR 5 -0.803 15.855 -3.234
30 1HG2 THR 5 1HG2 THR 5 -3.204 18.396 -2.641
31 2HG2 THR 5 2HG2 THR 5 -4.595 17.371 -3.023
32 3HG2 THR 5 3HG2 THR 5 -3.634 17.070 -1.556
33 H SER 6 H SER 6 -4.884 15.174 -1.628
34 HA SER 6 HA SER 6 -3.577 14.152 0.587
35 1HB SER 6 1HB SER 6 -6.537 13.861 -0.072
36 2HB SER 6 2HB SER 6 -5.798 13.885 1.540
37 HG SER 6 HG SER 6 -5.086 16.024 1.062
38 H GLU 7 H GLU 7 -5.022 12.349 -2.099
39 HA GLU 7 HA GLU 7 -4.927 9.789 -0.651
40 1HB GLU 7 1HB GLU 7 -5.758 10.337 -3.526
41 2HB GLU 7 2HB GLU 7 -6.052 8.887 -2.563
42 1HG GLU 7 1HG GLU 7 -7.245 11.660 -2.138
43 2HG GLU 7 2HG GLU 7 -8.081 10.209 -2.690
44 H TYR 8 H TYR 8 -3.625 11.069 -3.797
45 HA TYR 8 HA TYR 8 -2.019 8.725 -4.058
46 1HB TYR 8 1HB TYR 8 -1.223 9.560 -6.099
47 2HB TYR 8 2HB TYR 8 -2.949 9.868 -5.979
48 HD1 TYR 8 HD1 TYR 8 0.445 11.476 -5.711
49 HD2 TYR 8 HD2 TYR 8 -3.766 12.040 -6.389
50 HE1 TYR 8 HE1 TYR 8 0.866 13.826 -6.351
51 HE2 TYR 8 HE2 TYR 8 -3.339 14.376 -7.116
52 HH TYR 8 HH TYR 8 -0.058 15.815 -7.056
53 H SER 9 H SER 9 -1.246 11.991 -2.880
54 HA SER 9 HA SER 9 1.518 11.856 -3.282
55 1HB SER 9 1HB SER 9 0.122 13.443 -1.123
56 2HB SER 9 2HB SER 9 1.738 13.711 -1.793
57 HG SER 9 HG SER 9 -0.728 13.852 -3.170
58 H LYS 10 H LYS 10 -0.389 10.153 -0.896
59 HA LYS 10 HA LYS 10 1.542 10.000 1.206
60 1HB LYS 10 1HB LYS 10 -0.664 8.017 0.554
61 2HB LYS 10 2HB LYS 10 0.108 8.310 2.113
62 1HG LYS 10 1HG LYS 10 -1.821 10.125 0.593
63 2HG LYS 10 2HG LYS 10 -2.100 9.240 2.079
64 1HD LYS 10 1HD LYS 10 -1.856 11.366 2.844
65 2HD LYS 10 2HD LYS 10 -0.235 10.725 3.133
66 1HE LYS 10 1HE LYS 10 0.657 12.023 1.276
67 2HE LYS 10 2HE LYS 10 -0.966 12.295 0.612
68 1HZ LYS 10 1HZ LYS 10 -1.434 13.649 2.503
69 2HZ LYS 10 2HZ LYS 10 0.070 13.378 3.125
70 3HZ LYS 10 3HZ LYS 10 -0.100 14.200 1.705
71 H TYR 11 H TYR 11 0.576 7.613 -1.346
72 HA TYR 11 HA TYR 11 2.688 5.801 -0.548
73 1HB TYR 11 1HB TYR 11 1.972 4.549 -2.541
74 2HB TYR 11 2HB TYR 11 0.748 4.822 -1.300
75 HD1 TYR 11 HD1 TYR 11 1.948 6.085 -4.652
76 HD2 TYR 11 HD2 TYR 11 -1.385 5.564 -1.960
77 HE1 TYR 11 HE1 TYR 11 0.386 6.733 -6.456
78 HE2 TYR 11 HE2 TYR 11 -2.947 6.069 -3.809
79 HH TYR 11 HH TYR 11 -1.836 7.093 -7.051
80 H LEU 12 H LEU 12 2.266 8.351 -2.925
81 HA LEU 12 HA LEU 12 4.585 7.895 -4.456
82 1HB LEU 12 1HB LEU 12 2.812 9.341 -5.202
83 2HB LEU 12 2HB LEU 12 2.950 10.324 -3.742
84 HG LEU 12 HG LEU 12 5.077 11.233 -4.439
85 1HD1 LEU 12 1HD2 LEU 12 5.928 10.806 -6.756
86 2HD1 LEU 12 2HD2 LEU 12 5.953 9.313 -5.810
87 3HD1 LEU 12 3HD2 LEU 12 4.662 9.584 -6.996
88 1HD2 LEU 12 1HD1 LEU 12 3.017 12.375 -5.103
89 2HD2 LEU 12 2HD1 LEU 12 4.264 12.568 -6.345
90 3HD2 LEU 12 3HD1 LEU 12 2.937 11.414 -6.596
91 H ASP 13 H ASP 13 4.070 9.432 -1.286
92 HA ASP 13 HA ASP 13 6.169 11.115 -1.100
93 1HB ASP 13 1HB ASP 13 4.341 10.886 0.576
94 2HB ASP 13 2HB ASP 13 5.086 9.395 1.156
95 H SER 14 H SER 14 6.372 7.911 0.242
96 HA SER 14 HA SER 14 9.375 8.031 0.068
97 1HB SER 14 1HB SER 14 7.679 7.327 2.498
98 2HB SER 14 2HB SER 14 9.426 7.013 2.354
99 HG SER 14 HG SER 14 8.137 9.533 2.197
100 H ARG 15 H ARG 15 7.744 5.431 1.745
101 HA ARG 15 HA ARG 15 7.758 3.672 -0.533
102 1HB ARG 15 1HB ARG 15 9.586 2.185 0.398
103 2HB ARG 15 2HB ARG 15 10.111 3.715 -0.278
104 1HG ARG 15 1HG ARG 15 11.365 3.248 1.698
105 2HG ARG 15 2HG ARG 15 10.381 4.685 1.978
106 1HD ARG 15 1HD ARG 15 8.804 3.372 3.334
107 2HD ARG 15 2HD ARG 15 9.669 1.871 2.912
108 HE ARG 15 HE ARG 15 11.474 3.722 4.107
109 1HH1 ARG 15 1HH1 ARG 15 8.729 1.627 4.966
110 2HH1 ARG 15 2HH1 ARG 15 9.257 1.423 6.620
111 1HH2 ARG 15 1HH2 ARG 15 12.136 3.435 6.276
112 2HH2 ARG 15 2HH2 ARG 15 11.186 2.447 7.363
113 H ARG 16 H ARG 16 5.859 4.532 1.552
114 HA ARG 16 HA ARG 16 5.386 2.328 3.314
115 1HB ARG 16 1HB ARG 16 3.137 3.189 3.514
116 2HB ARG 16 2HB ARG 16 4.377 4.446 3.661
117 1HG ARG 16 1HG ARG 16 3.880 5.021 1.199
118 2HG ARG 16 2HG ARG 16 2.463 3.955 1.366
119 1HD ARG 16 1HD ARG 16 1.659 6.089 1.829
120 2HD ARG 16 2HD ARG 16 1.825 5.338 3.415
121 HE ARG 16 HE ARG 16 3.536 7.441 2.148
122 1HH1 ARG 16 1HH1 ARG 16 2.767 5.667 5.158
123 2HH1 ARG 16 2HH1 ARG 16 3.700 6.767 6.142
124 1HH2 ARG 16 1HH2 ARG 16 4.745 8.803 3.464
125 2HH2 ARG 16 2HH2 ARG 16 4.824 8.530 5.189
126 H ALA 17 H ALA 17 4.051 3.138 0.111
127 HA ALA 17 HA ALA 17 2.703 0.636 -0.312
128 1HB ALA 17 1HB ALA 17 3.533 2.913 -2.139
129 2HB ALA 17 2HB ALA 17 2.479 1.564 -2.628
130 3HB ALA 17 3HB ALA 17 1.960 2.669 -1.334
131 H GLN 18 H GLN 18 5.857 2.006 -1.336
132 HA GLN 18 HA GLN 18 6.593 -0.045 -3.143
133 1HB GLN 18 1HB GLN 18 8.285 1.776 -1.387
134 2HB GLN 18 2HB GLN 18 8.941 0.708 -2.608
135 1HG GLN 18 1HG GLN 18 8.798 3.004 -3.437
136 2HG GLN 18 2HG GLN 18 7.879 1.849 -4.402
137 1HE2 GLN 18 2HE2 GLN 18 7.631 4.829 -2.418
138 2HE2 GLN 18 1HE2 GLN 18 5.932 5.039 -2.734
139 H ASP 19 H ASP 19 7.138 0.291 0.376
140 HA ASP 19 HA ASP 19 8.565 -2.113 0.837
141 1HB ASP 19 1HB ASP 19 8.411 -0.357 2.522
142 2HB ASP 19 2HB ASP 19 6.655 -0.548 2.626
143 H PHE 20 H PHE 20 5.021 -1.403 0.957
144 HA PHE 20 HA PHE 20 4.178 -4.036 1.549
145 1HB PHE 20 1HB PHE 20 2.719 -1.953 -0.099
146 2HB PHE 20 2HB PHE 20 2.002 -3.350 0.693
147 HD1 PHE 20 HD1 PHE 20 0.987 -0.584 1.001
148 HD2 PHE 20 HD2 PHE 20 3.879 -2.776 3.350
149 HE1 PHE 20 HE1 PHE 20 0.585 0.921 2.927
150 HE2 PHE 20 HE2 PHE 20 3.463 -1.278 5.252
151 HZ PHE 20 HZ PHE 20 1.834 0.588 5.051
152 H VAL 21 H VAL 21 5.067 -2.570 -1.614
153 HA VAL 21 HA VAL 21 4.072 -4.849 -3.093
154 HB VAL 21 HB VAL 21 5.941 -2.564 -3.824
155 1HG1 VAL 21 1HG2 VAL 21 6.656 -4.449 -5.210
156 2HG1 VAL 21 2HG2 VAL 21 4.965 -4.846 -5.595
157 3HG1 VAL 21 3HG2 VAL 21 5.693 -3.339 -6.188
158 1HG2 VAL 21 1HG1 VAL 21 3.474 -2.083 -3.535
159 2HG2 VAL 21 2HG1 VAL 21 4.047 -1.837 -5.191
160 3HG2 VAL 21 3HG1 VAL 21 3.134 -3.300 -4.773
161 H GLN 22 H GLN 22 7.378 -3.897 -2.052
162 HA GLN 22 HA GLN 22 8.759 -6.173 -2.972
163 1HB GLN 22 1HB GLN 22 9.129 -4.544 -0.417
164 2HB GLN 22 2HB GLN 22 10.305 -5.713 -1.025
165 1HG GLN 22 1HG GLN 22 9.333 -3.296 -2.592
166 2HG GLN 22 2HG GLN 22 10.783 -3.322 -1.582
167 1HE2 GLN 22 2HE2 GLN 22 12.387 -5.178 -2.143
168 2HE2 GLN 22 1HE2 GLN 22 12.617 -5.511 -3.847
169 H TRP 23 H TRP 23 6.719 -5.718 -0.095
170 HA TRP 23 HA TRP 23 7.591 -8.127 1.256
171 1HB TRP 23 1HB TRP 23 6.716 -6.415 2.636
172 2HB TRP 23 2HB TRP 23 5.330 -6.147 1.580
173 HD1 TRP 23 HD1 TRP 23 6.657 -8.943 3.803
174 HE1 TRP 23 HE1 TRP 23 4.620 -10.310 4.759
175 HE3 TRP 23 HE3 TRP 23 2.976 -6.711 1.208
176 HZ2 TRP 23 HZ2 TRP 23 1.799 -10.414 4.323
177 HZ3 TRP 23 HZ3 TRP 23 0.596 -7.479 1.406
178 HH2 TRP 23 HH2 TRP 23 0.019 -9.328 2.974
179 H LEU 24 H LEU 24 4.613 -7.153 -0.436
180 HA LEU 24 HA LEU 24 3.189 -9.510 -0.472
181 1HB LEU 24 1HB LEU 24 2.366 -7.316 -1.180
182 2HB LEU 24 2HB LEU 24 3.442 -7.335 -2.579
183 HG LEU 24 HG LEU 24 2.192 -9.263 -3.530
184 1HD1 LEU 24 1HD1 LEU 24 1.352 -10.357 -1.495
185 2HD1 LEU 24 2HD1 LEU 24 0.402 -8.912 -1.078
186 3HD1 LEU 24 3HD1 LEU 24 -0.011 -9.879 -2.509
187 1HD2 LEU 24 1HD2 LEU 24 1.562 -6.946 -4.096
188 2HD2 LEU 24 2HD2 LEU 24 0.149 -8.016 -4.089
189 3HD2 LEU 24 3HD2 LEU 24 0.430 -6.911 -2.726
190 H MET 25 H MET 25 5.754 -8.420 -2.662
191 HA MET 25 HA MET 25 5.587 -10.635 -4.509
192 1HB MET 25 1HB MET 25 7.746 -8.573 -3.929
193 2HB MET 25 2HB MET 25 7.921 -9.821 -5.169
194 1HG MET 25 1HG MET 25 5.606 -7.849 -5.114
195 2HG MET 25 2HG MET 25 7.106 -7.603 -6.013
196 1HE MET 25 1HE MET 25 4.176 -7.435 -7.244
197 2HE MET 25 2HE MET 25 5.670 -7.141 -8.166
198 3HE MET 25 3HE MET 25 4.442 -8.264 -8.795
199 H ASN 26 H ASN 26 7.783 -9.927 -1.735
200 HA ASN 26 HA ASN 26 9.345 -12.271 -1.957
201 1HB ASN 26 1HB ASN 26 8.663 -10.570 0.476
202 2HB ASN 26 2HB ASN 26 9.893 -11.840 0.451
203 1HD2 ASN 26 2HD2 ASN 26 10.639 -9.304 1.183
204 2HD2 ASN 26 1HD2 ASN 26 11.632 -8.596 -0.075
205 H THR 27 H THR 27 6.432 -11.680 0.097
206 HA THR 27 HA THR 27 6.487 -14.333 1.188
207 HB THR 27 HB THR 27 5.515 -12.286 2.254
208 HG1 THR 27 HG1 THR 27 3.917 -14.613 2.071
209 1HG2 THR 27 1HG2 THR 27 3.223 -11.667 1.874
210 2HG2 THR 27 2HG2 THR 27 4.094 -11.506 0.341
211 3HG2 THR 27 3HG2 THR 27 3.021 -12.894 0.615
212 1HN NH2 28 1H NH2 28 4.733 -12.822 -1.572
213 2HN NH2 28 2H NH2 28 4.048 -14.324 -2.143
Start of MODEL 15
1 1H SER 1 1H SER 1 -14.813 3.417 1.135
2 2H SER 1 2H SER 1 -14.719 4.964 0.571
3 3H SER 1 3H SER 1 -15.913 3.962 0.030
4 HA SER 1 HA SER 1 -14.338 2.524 -0.987
5 1HB SER 1 1HB SER 1 -14.069 5.437 -1.843
6 2HB SER 1 2HB SER 1 -13.700 4.022 -2.850
7 HG SER 1 HG SER 1 -15.885 3.391 -2.606
8 H GLN 2 H GLN 2 -12.113 2.496 -2.006
9 HA GLN 2 HA GLN 2 -10.141 2.689 0.105
10 1HB GLN 2 1HB GLN 2 -9.917 1.811 -2.809
11 2HB GLN 2 2HB GLN 2 -8.627 1.737 -1.605
12 1HG GLN 2 1HG GLN 2 -9.573 -0.437 -1.715
13 2HG GLN 2 2HG GLN 2 -10.048 0.276 -0.169
14 1HE2 GLN 2 2HE2 GLN 2 -11.863 -1.131 0.068
15 2HE2 GLN 2 1HE2 GLN 2 -13.284 -0.991 -0.946
16 H GLY 3 H GLY 3 -10.263 4.010 -3.253
17 1HA GLY 3 1HA GLY 3 -8.057 5.817 -2.768
18 2HA GLY 3 2HA GLY 3 -9.039 5.678 -4.230
19 H THR 4 H THR 4 -9.242 6.850 -0.832
20 HA THR 4 HA THR 4 -11.099 9.043 -1.677
21 HB THR 4 HB THR 4 -11.683 9.099 0.729
22 HG1 THR 4 HG1 THR 4 -10.273 6.633 0.841
23 1HG2 THR 4 1HG2 THR 4 -13.096 7.894 -0.865
24 2HG2 THR 4 2HG2 THR 4 -12.096 6.438 -0.692
25 3HG2 THR 4 3HG2 THR 4 -13.045 7.034 0.687
26 H THR 5 H THR 5 -9.636 9.401 1.325
27 HA THR 5 HA THR 5 -7.455 11.187 0.386
28 HB THR 5 HB THR 5 -8.332 12.972 1.924
29 HG1 THR 5 HG1 THR 5 -10.571 12.862 2.395
30 1HG2 THR 5 1HG2 THR 5 -10.217 12.346 -0.388
31 2HG2 THR 5 2HG2 THR 5 -9.907 13.925 0.351
32 3HG2 THR 5 3HG2 THR 5 -8.619 13.110 -0.555
33 H SER 6 H SER 6 -9.307 10.308 3.313
34 HA SER 6 HA SER 6 -7.382 10.631 5.232
35 1HB SER 6 1HB SER 6 -8.742 8.997 6.569
36 2HB SER 6 2HB SER 6 -9.696 10.260 5.767
37 HG SER 6 HG SER 6 -10.597 8.170 5.490
38 H GLU 7 H GLU 7 -8.027 7.579 3.460
39 HA GLU 7 HA GLU 7 -5.633 6.298 4.639
40 1HB GLU 7 1HB GLU 7 -6.373 4.312 3.447
41 2HB GLU 7 2HB GLU 7 -7.601 4.942 4.563
42 1HG GLU 7 1HG GLU 7 -8.820 5.933 2.623
43 2HG GLU 7 2HG GLU 7 -7.608 5.226 1.538
44 H TYR 8 H TYR 8 -6.969 7.413 1.590
45 HA TYR 8 HA TYR 8 -5.215 6.365 -0.222
46 1HB TYR 8 1HB TYR 8 -7.304 7.436 -0.733
47 2HB TYR 8 2HB TYR 8 -6.686 9.003 -0.200
48 HD1 TYR 8 HD1 TYR 8 -5.735 6.228 -2.551
49 HD2 TYR 8 HD2 TYR 8 -5.831 10.471 -1.821
50 HE1 TYR 8 HE1 TYR 8 -4.837 6.609 -4.783
51 HE2 TYR 8 HE2 TYR 8 -4.976 10.886 -4.068
52 HH TYR 8 HH TYR 8 -4.222 9.936 -6.063
53 H SER 9 H SER 9 -4.976 9.676 1.158
54 HA SER 9 HA SER 9 -2.640 10.412 -0.155
55 1HB SER 9 1HB SER 9 -3.706 11.365 2.524
56 2HB SER 9 2HB SER 9 -2.515 12.212 1.515
57 HG SER 9 HG SER 9 -4.113 12.244 -0.146
58 H LYS 10 H LYS 10 -2.912 8.146 2.488
59 HA LYS 10 HA LYS 10 -0.186 8.522 3.473
60 1HB LYS 10 1HB LYS 10 -1.975 6.126 3.921
61 2HB LYS 10 2HB LYS 10 -0.620 6.688 4.892
62 1HG LYS 10 1HG LYS 10 -3.346 8.051 4.596
63 2HG LYS 10 2HG LYS 10 -2.771 7.088 5.945
64 1HD LYS 10 1HD LYS 10 -2.548 9.213 6.727
65 2HD LYS 10 2HD LYS 10 -0.891 8.831 6.239
66 1HE LYS 10 1HE LYS 10 -1.085 10.303 4.299
67 2HE LYS 10 2HE LYS 10 -2.848 10.370 4.464
68 1HZ LYS 10 1HZ LYS 10 -0.897 11.471 6.347
69 2HZ LYS 10 2HZ LYS 10 -1.783 12.327 5.251
70 3HZ LYS 10 3HZ LYS 10 -2.537 11.556 6.498
71 H TYR 11 H TYR 11 -1.849 5.819 1.689
72 HA TYR 11 HA TYR 11 0.714 4.598 1.118
73 1HB TYR 11 1HB TYR 11 -0.574 2.994 -0.148
74 2HB TYR 11 2HB TYR 11 -1.095 3.204 1.529
75 HD1 TYR 11 HD1 TYR 11 -1.979 4.072 -2.018
76 HD2 TYR 11 HD2 TYR 11 -3.379 3.600 2.035
77 HE1 TYR 11 HE1 TYR 11 -4.318 4.091 -2.819
78 HE2 TYR 11 HE2 TYR 11 -5.712 3.590 1.227
79 HH TYR 11 HH TYR 11 -7.119 3.873 -0.601
80 H LEU 12 H LEU 12 -1.198 7.007 -0.417
81 HA LEU 12 HA LEU 12 -0.299 6.894 -3.039
82 1HB LEU 12 1HB LEU 12 -1.998 8.381 -2.316
83 2HB LEU 12 2HB LEU 12 -0.942 9.082 -1.075
84 HG LEU 12 HG LEU 12 0.426 10.183 -2.790
85 1HD1 LEU 12 1HD1 LEU 12 -0.379 10.242 -5.160
86 2HD1 LEU 12 2HD1 LEU 12 0.063 8.594 -4.696
87 3HD1 LEU 12 3HD1 LEU 12 -1.647 9.066 -4.755
88 1HD2 LEU 12 1HD2 LEU 12 -1.394 11.436 -1.829
89 2HD2 LEU 12 2HD2 LEU 12 -1.260 11.838 -3.546
90 3HD2 LEU 12 3HD2 LEU 12 -2.549 10.748 -2.993
91 H ASP 13 H ASP 13 1.337 7.939 -0.035
92 HA ASP 13 HA ASP 13 3.627 9.120 -1.263
93 1HB ASP 13 1HB ASP 13 2.877 9.521 1.092
94 2HB ASP 13 2HB ASP 13 3.318 7.850 1.484
95 H SER 14 H SER 14 5.733 8.349 -1.357
96 HA SER 14 HA SER 14 5.832 5.552 -2.313
97 1HB SER 14 1HB SER 14 7.597 7.914 -2.943
98 2HB SER 14 2HB SER 14 7.704 6.273 -3.637
99 HG SER 14 HG SER 14 5.539 6.596 -4.403
100 H ARG 15 H ARG 15 6.155 4.595 -0.335
101 HA ARG 15 HA ARG 15 8.817 3.959 0.193
102 1HB ARG 15 1HB ARG 15 9.101 6.090 1.297
103 2HB ARG 15 2HB ARG 15 7.585 5.911 2.189
104 1HG ARG 15 1HG ARG 15 9.546 5.526 3.606
105 2HG ARG 15 2HG ARG 15 8.505 4.102 3.537
106 1HD ARG 15 1HD ARG 15 10.023 3.001 1.957
107 2HD ARG 15 2HD ARG 15 11.029 4.450 1.850
108 HE ARG 15 HE ARG 15 10.968 2.408 3.930
109 1HH1 ARG 15 1HH1 ARG 15 11.869 5.797 3.290
110 2HH1 ARG 15 2HH1 ARG 15 13.027 5.844 4.598
111 1HH2 ARG 15 1HH2 ARG 15 12.480 2.516 5.624
112 2HH2 ARG 15 2HH2 ARG 15 13.370 3.991 5.921
113 H ARG 16 H ARG 16 5.671 4.486 1.841
114 HA ARG 16 HA ARG 16 5.803 1.975 3.240
115 1HB ARG 16 1HB ARG 16 3.712 2.542 4.128
116 2HB ARG 16 2HB ARG 16 4.675 4.026 4.007
117 1HG ARG 16 1HG ARG 16 3.350 4.550 1.868
118 2HG ARG 16 2HG ARG 16 2.321 3.166 2.315
119 1HD ARG 16 1HD ARG 16 1.201 4.891 3.352
120 2HD ARG 16 2HD ARG 16 2.212 4.332 4.674
121 HE ARG 16 HE ARG 16 2.492 6.782 3.006
122 1HH1 ARG 16 1HH1 ARG 16 3.691 5.005 5.870
123 2HH1 ARG 16 2HH1 ARG 16 4.601 6.378 6.447
124 1HH2 ARG 16 1HH2 ARG 16 3.727 8.499 3.776
125 2HH2 ARG 16 2HH2 ARG 16 4.625 8.349 5.269
126 H ALA 17 H ALA 17 4.003 3.136 0.336
127 HA ALA 17 HA ALA 17 2.698 0.649 -0.194
128 1HB ALA 17 1HB ALA 17 2.373 1.645 -2.466
129 2HB ALA 17 2HB ALA 17 1.844 2.661 -1.111
130 3HB ALA 17 3HB ALA 17 3.368 3.030 -1.952
131 H GLN 18 H GLN 18 5.827 2.045 -1.268
132 HA GLN 18 HA GLN 18 6.419 0.007 -3.162
133 1HB GLN 18 1HB GLN 18 8.566 1.429 -1.568
134 2HB GLN 18 2HB GLN 18 8.608 0.844 -3.233
135 1HG GLN 18 1HG GLN 18 7.246 3.291 -2.101
136 2HG GLN 18 2HG GLN 18 8.518 3.222 -3.312
137 1HE2 GLN 18 2HE2 GLN 18 5.258 3.737 -2.846
138 2HE2 GLN 18 1HE2 GLN 18 4.699 3.501 -4.482
139 H ASP 19 H ASP 19 7.175 0.360 0.314
140 HA ASP 19 HA ASP 19 8.692 -2.006 0.672
141 1HB ASP 19 1HB ASP 19 8.648 -0.227 2.321
142 2HB ASP 19 2HB ASP 19 6.917 -0.457 2.597
143 H PHE 20 H PHE 20 5.159 -1.385 1.029
144 HA PHE 20 HA PHE 20 4.394 -4.027 1.698
145 1HB PHE 20 1HB PHE 20 2.823 -1.991 0.095
146 2HB PHE 20 2HB PHE 20 2.167 -3.382 0.952
147 HD1 PHE 20 HD1 PHE 20 4.193 -2.704 3.486
148 HD2 PHE 20 HD2 PHE 20 1.159 -0.593 1.240
149 HE1 PHE 20 HE1 PHE 20 3.829 -1.191 5.387
150 HE2 PHE 20 HE2 PHE 20 0.812 0.926 3.164
151 HZ PHE 20 HZ PHE 20 2.146 0.632 5.241
152 H VAL 21 H VAL 21 5.062 -2.542 -1.518
153 HA VAL 21 HA VAL 21 4.138 -4.873 -2.937
154 HB VAL 21 HB VAL 21 5.857 -2.505 -3.740
155 1HG1 VAL 21 1HG2 VAL 21 5.642 -3.330 -6.084
156 2HG1 VAL 21 2HG2 VAL 21 6.702 -4.336 -5.095
157 3HG1 VAL 21 3HG2 VAL 21 5.048 -4.883 -5.459
158 1HG2 VAL 21 1HG1 VAL 21 3.369 -2.206 -3.419
159 2HG2 VAL 21 2HG1 VAL 21 3.906 -1.933 -5.084
160 3HG2 VAL 21 3HG1 VAL 21 3.104 -3.455 -4.644
161 H GLN 22 H GLN 22 7.398 -3.921 -1.715
162 HA GLN 22 HA GLN 22 8.749 -6.179 -2.801
163 1HB GLN 22 1HB GLN 22 9.377 -4.989 -0.074
164 2HB GLN 22 2HB GLN 22 10.448 -5.849 -1.181
165 1HG GLN 22 1HG GLN 22 9.392 -3.045 -1.352
166 2HG GLN 22 2HG GLN 22 11.054 -3.597 -1.318
167 1HE2 GLN 22 2HE2 GLN 22 8.464 -2.624 -3.347
168 2HE2 GLN 22 1HE2 GLN 22 9.167 -3.088 -4.887
169 H TRP 23 H TRP 23 6.714 -5.791 0.099
170 HA TRP 23 HA TRP 23 7.510 -8.262 1.363
171 1HB TRP 23 1HB TRP 23 6.594 -6.612 2.785
172 2HB TRP 23 2HB TRP 23 5.257 -6.273 1.690
173 HD1 TRP 23 HD1 TRP 23 6.451 -9.171 3.853
174 HE1 TRP 23 HE1 TRP 23 4.356 -10.539 4.675
175 HE3 TRP 23 HE3 TRP 23 2.916 -6.814 1.167
176 HZ2 TRP 23 HZ2 TRP 23 1.555 -10.586 4.118
177 HZ3 TRP 23 HZ3 TRP 23 0.520 -7.553 1.238
178 HH2 TRP 23 HH2 TRP 23 -0.149 -9.436 2.726
179 H LEU 24 H LEU 24 4.619 -7.193 -0.404
180 HA LEU 24 HA LEU 24 3.164 -9.512 -0.625
181 1HB LEU 24 1HB LEU 24 2.438 -7.264 -1.295
182 2HB LEU 24 2HB LEU 24 3.576 -7.278 -2.643
183 HG LEU 24 HG LEU 24 2.322 -9.143 -3.703
184 1HD1 LEU 24 1HD1 LEU 24 1.353 -10.267 -1.745
185 2HD1 LEU 24 2HD1 LEU 24 0.428 -8.806 -1.329
186 3HD1 LEU 24 3HD1 LEU 24 0.053 -9.717 -2.806
187 1HD2 LEU 24 1HD2 LEU 24 0.590 -6.762 -2.919
188 2HD2 LEU 24 2HD2 LEU 24 1.786 -6.794 -4.234
189 3HD2 LEU 24 3HD2 LEU 24 0.344 -7.822 -4.324
190 H MET 25 H MET 25 5.875 -8.401 -2.625
191 HA MET 25 HA MET 25 5.778 -10.524 -4.577
192 1HB MET 25 1HB MET 25 7.932 -8.553 -3.750
193 2HB MET 25 2HB MET 25 8.200 -9.795 -4.981
194 1HG MET 25 1HG MET 25 6.506 -8.925 -6.409
195 2HG MET 25 2HG MET 25 5.863 -7.872 -5.153
196 1HE MET 25 1HE MET 25 9.743 -8.361 -6.081
197 2HE MET 25 2HE MET 25 8.835 -8.549 -7.603
198 3HE MET 25 3HE MET 25 9.873 -7.128 -7.350
199 H ASN 26 H ASN 26 7.832 -10.026 -1.647
200 HA ASN 26 HA ASN 26 9.286 -12.449 -1.909
201 1HB ASN 26 1HB ASN 26 8.765 -10.532 0.373
202 2HB ASN 26 2HB ASN 26 9.537 -12.089 0.681
203 1HD2 ASN 26 2HD2 ASN 26 9.857 -9.233 -1.519
204 2HD2 ASN 26 1HD2 ASN 26 11.604 -9.329 -1.612
205 H THR 27 H THR 27 6.331 -11.766 0.061
206 HA THR 27 HA THR 27 6.229 -14.438 1.088
207 HB THR 27 HB THR 27 5.268 -12.385 2.147
208 HG1 THR 27 HG1 THR 27 4.772 -14.510 2.805
209 1HG2 THR 27 1HG2 THR 27 3.031 -11.663 1.646
210 2HG2 THR 27 2HG2 THR 27 3.991 -11.518 0.166
211 3HG2 THR 27 3HG2 THR 27 2.849 -12.864 0.361
212 1HN NH2 28 1H NH2 28 4.617 -12.809 -1.700
213 2HN NH2 28 2H NH2 28 3.950 -14.284 -2.356
Start of MODEL 16
1 1H SER 1 1H SER 1 -10.549 0.359 -4.691
2 2H SER 1 2H SER 1 -11.596 -0.837 -5.129
3 3H SER 1 3H SER 1 -11.883 0.721 -5.591
4 HA SER 1 HA SER 1 -12.191 1.416 -3.367
5 1HB SER 1 1HB SER 1 -13.932 -0.964 -4.130
6 2HB SER 1 2HB SER 1 -14.323 0.260 -2.904
7 HG SER 1 HG SER 1 -13.882 0.720 -5.671
8 H GLN 2 H GLN 2 -11.896 -2.168 -3.536
9 HA GLN 2 HA GLN 2 -11.255 -3.726 -2.048
10 1HB GLN 2 1HB GLN 2 -9.152 -2.232 -2.414
11 2HB GLN 2 2HB GLN 2 -9.470 -1.630 -0.781
12 1HG GLN 2 1HG GLN 2 -9.399 -4.103 -0.024
13 2HG GLN 2 2HG GLN 2 -8.856 -4.482 -1.661
14 1HE2 GLN 2 2HE2 GLN 2 -8.114 -2.410 1.196
15 2HE2 GLN 2 1HE2 GLN 2 -6.372 -2.447 0.969
16 H GLY 3 H GLY 3 -13.635 -2.346 -1.336
17 1HA GLY 3 1HA GLY 3 -15.104 -2.226 0.423
18 2HA GLY 3 2HA GLY 3 -13.861 -2.828 1.530
19 H THR 4 H THR 4 -12.032 -1.244 1.982
20 HA THR 4 HA THR 4 -13.086 1.514 2.423
21 HB THR 4 HB THR 4 -10.907 -0.059 3.849
22 HG1 THR 4 HG1 THR 4 -12.461 -0.096 5.508
23 1HG2 THR 4 1HG2 THR 4 -12.176 2.653 4.463
24 2HG2 THR 4 2HG2 THR 4 -11.027 1.788 5.505
25 3HG2 THR 4 3HG2 THR 4 -10.505 2.386 3.924
26 H THR 5 H THR 5 -12.387 2.801 0.779
27 HA THR 5 HA THR 5 -10.214 2.357 -0.915
28 HB THR 5 HB THR 5 -11.446 5.025 -0.092
29 HG1 THR 5 HG1 THR 5 -12.230 3.145 -2.063
30 1HG2 THR 5 1HG2 THR 5 -10.119 4.150 -2.695
31 2HG2 THR 5 2HG2 THR 5 -10.895 5.716 -2.396
32 3HG2 THR 5 3HG2 THR 5 -9.421 5.281 -1.515
33 H SER 6 H SER 6 -10.387 4.309 2.068
34 HA SER 6 HA SER 6 -7.851 5.424 2.085
35 1HB SER 6 1HB SER 6 -9.447 4.473 4.493
36 2HB SER 6 2HB SER 6 -8.211 5.744 4.461
37 HG SER 6 HG SER 6 -9.571 6.885 2.998
38 H GLU 7 H GLU 7 -8.714 2.040 2.703
39 HA GLU 7 HA GLU 7 -6.531 1.345 4.354
40 1HB GLU 7 1HB GLU 7 -8.541 -0.044 4.056
41 2HB GLU 7 2HB GLU 7 -8.085 -0.371 2.376
42 1HG GLU 7 1HG GLU 7 -7.485 -2.253 3.786
43 2HG GLU 7 2HG GLU 7 -6.026 -1.501 3.141
44 H TYR 8 H TYR 8 -6.938 0.816 0.785
45 HA TYR 8 HA TYR 8 -4.175 0.091 0.488
46 1HB TYR 8 1HB TYR 8 -4.583 -0.146 -1.807
47 2HB TYR 8 2HB TYR 8 -5.976 -0.784 -0.954
48 HD1 TYR 8 HD1 TYR 8 -4.697 2.063 -3.005
49 HD2 TYR 8 HD2 TYR 8 -8.175 0.221 -1.257
50 HE1 TYR 8 HE1 TYR 8 -6.156 3.346 -4.545
51 HE2 TYR 8 HE2 TYR 8 -9.616 1.388 -2.915
52 HH TYR 8 HH TYR 8 -8.291 3.663 -5.332
53 H SER 9 H SER 9 -5.871 3.170 0.351
54 HA SER 9 HA SER 9 -4.160 4.719 -1.189
55 1HB SER 9 1HB SER 9 -5.548 5.513 1.392
56 2HB SER 9 2HB SER 9 -4.882 6.621 0.183
57 HG SER 9 HG SER 9 -6.923 4.705 -0.291
58 H LYS 10 H LYS 10 -3.609 3.466 2.118
59 HA LYS 10 HA LYS 10 -1.263 5.004 2.681
60 1HB LYS 10 1HB LYS 10 -2.060 2.257 3.699
61 2HB LYS 10 2HB LYS 10 -0.904 3.370 4.433
62 1HG LYS 10 1HG LYS 10 -3.920 3.741 4.227
63 2HG LYS 10 2HG LYS 10 -2.960 3.380 5.648
64 1HD LYS 10 1HD LYS 10 -3.347 5.591 5.962
65 2HD LYS 10 2HD LYS 10 -1.760 5.660 5.194
66 1HE LYS 10 1HE LYS 10 -2.837 6.384 3.062
67 2HE LYS 10 2HE LYS 10 -4.433 6.049 3.740
68 1HZ LYS 10 1HZ LYS 10 -3.875 8.347 3.781
69 2HZ LYS 10 2HZ LYS 10 -4.028 7.783 5.323
70 3HZ LYS 10 3HZ LYS 10 -2.530 8.063 4.691
71 H TYR 11 H TYR 11 -1.668 1.615 1.397
72 HA TYR 11 HA TYR 11 1.201 1.602 0.752
73 1HB TYR 11 1HB TYR 11 0.764 -0.781 0.219
74 2HB TYR 11 2HB TYR 11 0.633 -0.284 1.900
75 HD1 TYR 11 HD1 TYR 11 -1.282 -1.561 -1.019
76 HD2 TYR 11 HD2 TYR 11 -1.443 -0.389 3.131
77 HE1 TYR 11 HE1 TYR 11 -3.372 -2.854 -0.729
78 HE2 TYR 11 HE2 TYR 11 -3.490 -1.741 3.428
79 HH TYR 11 HH TYR 11 -4.910 -3.277 2.477
80 H LEU 12 H LEU 12 -0.010 3.447 -0.552
81 HA LEU 12 HA LEU 12 0.177 2.593 -3.323
82 1HB LEU 12 1HB LEU 12 -2.164 2.636 -3.103
83 2HB LEU 12 2HB LEU 12 -2.132 4.076 -2.081
84 HG LEU 12 HG LEU 12 -1.611 5.522 -3.838
85 1HD1 LEU 12 1HD2 LEU 12 -1.292 5.048 -5.807
86 2HD1 LEU 12 2HD2 LEU 12 -1.345 3.870 -6.403
87 3HD1 LEU 12 3HD2 LEU 12 -1.571 3.116 -5.327
88 1HD2 LEU 12 1HD1 LEU 12 -3.576 5.283 -5.306
89 2HD2 LEU 12 2HD1 LEU 12 -3.967 4.889 -3.625
90 3HD2 LEU 12 3HD1 LEU 12 -3.753 3.587 -4.813
91 H ASP 13 H ASP 13 0.010 5.130 -0.863
92 HA ASP 13 HA ASP 13 0.866 7.416 -1.959
93 1HB ASP 13 1HB ASP 13 0.152 7.113 0.329
94 2HB ASP 13 2HB ASP 13 1.609 6.198 0.706
95 H SER 14 H SER 14 3.410 5.997 -0.095
96 HA SER 14 HA SER 14 5.385 6.369 -2.299
97 1HB SER 14 1HB SER 14 5.437 7.888 0.342
98 2HB SER 14 2HB SER 14 6.738 7.874 -0.874
99 HG SER 14 HG SER 14 4.081 8.752 -1.312
100 H ARG 15 H ARG 15 6.876 6.407 0.754
101 HA ARG 15 HA ARG 15 8.453 4.227 0.258
102 1HB ARG 15 1HB ARG 15 8.855 6.009 1.908
103 2HB ARG 15 2HB ARG 15 7.650 5.321 2.994
104 1HG ARG 15 1HG ARG 15 10.201 3.904 2.069
105 2HG ARG 15 2HG ARG 15 10.024 4.833 3.562
106 1HD ARG 15 1HD ARG 15 8.130 3.220 4.207
107 2HD ARG 15 2HD ARG 15 8.713 2.182 2.886
108 HE ARG 15 HE ARG 15 10.938 2.859 4.451
109 1HH1 ARG 15 1HH1 ARG 15 7.933 0.969 4.710
110 2HH1 ARG 15 2HH1 ARG 15 8.621 -0.181 5.831
111 1HH2 ARG 15 1HH2 ARG 15 11.807 1.332 5.916
112 2HH2 ARG 15 2HH2 ARG 15 10.813 0.024 6.515
113 H ARG 16 H ARG 16 5.691 4.245 2.556
114 HA ARG 16 HA ARG 16 5.755 1.542 3.241
115 1HB ARG 16 1HB ARG 16 3.426 1.864 3.987
116 2HB ARG 16 2HB ARG 16 4.524 3.144 4.527
117 1HG ARG 16 1HG ARG 16 3.693 4.636 2.725
118 2HG ARG 16 2HG ARG 16 2.627 3.341 2.160
119 1HD ARG 16 1HD ARG 16 1.338 3.417 4.195
120 2HD ARG 16 2HD ARG 16 2.521 4.484 4.973
121 HE ARG 16 HE ARG 16 1.105 5.351 2.508
122 1HH1 ARG 16 1HH1 ARG 16 1.509 5.837 6.030
123 2HH1 ARG 16 2HH1 ARG 16 0.683 7.374 6.000
124 1HH2 ARG 16 1HH2 ARG 16 0.064 7.355 2.536
125 2HH2 ARG 16 2HH2 ARG 16 -0.142 8.228 4.036
126 H ALA 17 H ALA 17 4.372 3.052 0.332
127 HA ALA 17 HA ALA 17 2.862 0.744 -0.506
128 1HB ALA 17 1HB ALA 17 2.513 3.143 -1.233
129 2HB ALA 17 2HB ALA 17 3.931 2.973 -2.271
130 3HB ALA 17 3HB ALA 17 2.534 1.928 -2.538
131 H GLN 18 H GLN 18 6.141 2.028 -1.335
132 HA GLN 18 HA GLN 18 6.739 -0.060 -3.186
133 1HB GLN 18 1HB GLN 18 8.846 1.305 -1.473
134 2HB GLN 18 2HB GLN 18 8.993 0.625 -3.094
135 1HG GLN 18 1HG GLN 18 7.792 3.239 -2.209
136 2HG GLN 18 2HG GLN 18 9.044 2.944 -3.402
137 1HE2 GLN 18 2HE2 GLN 18 5.858 3.834 -3.055
138 2HE2 GLN 18 1HE2 GLN 18 5.262 3.414 -4.648
139 H ASP 19 H ASP 19 7.368 0.283 0.305
140 HA ASP 19 HA ASP 19 8.786 -2.120 0.739
141 1HB ASP 19 1HB ASP 19 8.671 -0.262 2.340
142 2HB ASP 19 2HB ASP 19 6.943 -0.546 2.588
143 H PHE 20 H PHE 20 5.272 -1.387 0.968
144 HA PHE 20 HA PHE 20 4.355 -3.961 1.632
145 1HB PHE 20 1HB PHE 20 3.018 -1.929 1.774
146 2HB PHE 20 2HB PHE 20 3.014 -1.773 0.018
147 HD1 PHE 20 HD1 PHE 20 1.585 -3.482 2.930
148 HD2 PHE 20 HD2 PHE 20 1.680 -3.332 -1.376
149 HE1 PHE 20 HE1 PHE 20 -0.540 -4.765 2.837
150 HE2 PHE 20 HE2 PHE 20 -0.427 -4.648 -1.466
151 HZ PHE 20 HZ PHE 20 -1.541 -5.357 0.640
152 H VAL 21 H VAL 21 5.170 -2.534 -1.601
153 HA VAL 21 HA VAL 21 4.095 -4.804 -3.023
154 HB VAL 21 HB VAL 21 5.942 -2.528 -3.814
155 1HG1 VAL 21 1HG1 VAL 21 6.667 -4.399 -5.204
156 2HG1 VAL 21 2HG1 VAL 21 4.976 -4.833 -5.552
157 3HG1 VAL 21 3HG1 VAL 21 5.662 -3.316 -6.171
158 1HG2 VAL 21 1HG2 VAL 21 3.141 -3.317 -4.737
159 2HG2 VAL 21 2HG2 VAL 21 3.455 -2.119 -3.475
160 3HG2 VAL 21 3HG2 VAL 21 4.015 -1.823 -5.129
161 H GLN 22 H GLN 22 7.440 -3.966 -2.020
162 HA GLN 22 HA GLN 22 8.690 -6.322 -3.006
163 1HB GLN 22 1HB GLN 22 9.301 -4.696 -0.500
164 2HB GLN 22 2HB GLN 22 10.394 -5.872 -1.242
165 1HG GLN 22 1HG GLN 22 9.363 -3.363 -2.620
166 2HG GLN 22 2HG GLN 22 10.900 -3.509 -1.769
167 1HE2 GLN 22 2HE2 GLN 22 9.052 -4.461 -4.650
168 2HE2 GLN 22 1HE2 GLN 22 10.414 -5.091 -5.553
169 H TRP 23 H TRP 23 6.773 -5.719 -0.084
170 HA TRP 23 HA TRP 23 7.591 -8.116 1.316
171 1HB TRP 23 1HB TRP 23 6.775 -6.328 2.634
172 2HB TRP 23 2HB TRP 23 5.384 -6.069 1.588
173 HD1 TRP 23 HD1 TRP 23 6.658 -8.743 3.968
174 HE1 TRP 23 HE1 TRP 23 4.589 -9.953 5.063
175 HE3 TRP 23 HE3 TRP 23 3.005 -6.579 1.269
176 HZ2 TRP 23 HZ2 TRP 23 1.761 -10.008 4.661
177 HZ3 TRP 23 HZ3 TRP 23 0.615 -7.300 1.514
178 HH2 TRP 23 HH2 TRP 23 0.000 -8.987 3.239
179 H LEU 24 H LEU 24 4.592 -7.123 -0.319
180 HA LEU 24 HA LEU 24 3.157 -9.467 -0.385
181 1HB LEU 24 1HB LEU 24 2.372 -7.230 -1.060
182 2HB LEU 24 2HB LEU 24 3.417 -7.278 -2.482
183 HG LEU 24 HG LEU 24 2.097 -9.177 -3.400
184 1HD1 LEU 24 1HD1 LEU 24 -0.104 -9.723 -2.330
185 2HD1 LEU 24 2HD1 LEU 24 1.267 -10.242 -1.346
186 3HD1 LEU 24 3HD1 LEU 24 0.371 -8.768 -0.911
187 1HD2 LEU 24 1HD2 LEU 24 0.413 -6.781 -2.566
188 2HD2 LEU 24 2HD2 LEU 24 0.081 -7.875 -3.925
189 3HD2 LEU 24 3HD2 LEU 24 1.520 -6.840 -3.955
190 H MET 25 H MET 25 5.775 -8.407 -2.526
191 HA MET 25 HA MET 25 5.564 -10.529 -4.466
192 1HB MET 25 1HB MET 25 7.712 -8.542 -3.700
193 2HB MET 25 2HB MET 25 8.053 -9.840 -4.848
194 1HG MET 25 1HG MET 25 6.342 -9.113 -6.354
195 2HG MET 25 2HG MET 25 5.719 -7.926 -5.204
196 1HE MET 25 1HE MET 25 6.591 -7.480 -8.363
197 2HE MET 25 2HE MET 25 5.738 -6.307 -7.335
198 3HE MET 25 3HE MET 25 7.218 -5.825 -8.196
199 H ASN 26 H ASN 26 7.913 -10.027 -1.763
200 HA ASN 26 HA ASN 26 9.234 -12.504 -2.073
201 1HB ASN 26 1HB ASN 26 8.982 -10.532 0.215
202 2HB ASN 26 2HB ASN 26 9.783 -12.087 0.450
203 1HD2 ASN 26 2HD2 ASN 26 9.875 -9.202 -1.723
204 2HD2 ASN 26 1HD2 ASN 26 11.592 -9.328 -2.048
205 H THR 27 H THR 27 6.382 -11.672 -0.066
206 HA THR 27 HA THR 27 6.205 -14.271 1.166
207 HB THR 27 HB THR 27 3.933 -13.506 1.822
208 HG1 THR 27 HG1 THR 27 4.641 -11.117 0.466
209 1HG2 THR 27 1HG2 THR 27 5.935 -12.954 3.180
210 2HG2 THR 27 2HG2 THR 27 6.142 -11.443 2.276
211 3HG2 THR 27 3HG2 THR 27 4.690 -11.692 3.265
212 1HN NH2 28 1H NH2 28 4.395 -12.740 -1.586
213 2HN NH2 28 2H NH2 28 3.872 -14.265 -2.268