Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
605037 | 5giw RC | 36009 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H MET 1 HN MET 1 5.891 -12.270 -5.945
2 HA MET 1 HA MET 1 4.461 -9.676 -5.884
3 HB2 MET 1 HB2 MET 1 3.283 -12.462 -5.749
4 HB3 MET 1 HB1 MET 1 2.373 -10.966 -5.537
5 HG2 MET 1 HG2 MET 1 2.176 -10.748 -7.766
6 HG3 MET 1 HG1 MET 1 3.932 -10.752 -7.934
7 HE1 MET 1 HE1 MET 1 1.136 -13.356 -6.841
8 HE2 MET 1 HE2 MET 1 0.971 -14.195 -8.381
9 HE3 MET 1 HE3 MET 1 0.659 -12.464 -8.293
10 H ALA 2 HN ALA 2 3.759 -8.935 -3.907
11 HA ALA 2 HA ALA 2 5.147 -9.918 -1.600
12 HB1 ALA 2 HB1 ALA 2 4.784 -7.804 -0.955
13 HB2 ALA 2 HB2 ALA 2 3.058 -8.145 -0.834
14 HB3 ALA 2 HB3 ALA 2 3.735 -7.548 -2.349
15 HA PRO 3 HA PRO 3 2.149 -12.651 0.095
16 HB2 PRO 3 HB2 PRO 3 2.232 -12.085 2.774
17 HB3 PRO 3 HB1 PRO 3 3.530 -12.936 1.918
18 HG2 PRO 3 HG2 PRO 3 3.360 -10.081 2.738
19 HG3 PRO 3 HG1 PRO 3 4.745 -11.186 2.769
20 HD2 PRO 3 HD2 PRO 3 4.387 -9.299 0.815
21 HD3 PRO 3 HD1 PRO 3 5.254 -10.827 0.545
22 H ARG 4 HN ARG 4 1.085 -10.145 -0.925
23 HA ARG 4 HA ARG 4 -0.752 -8.740 -0.769
24 HB2 ARG 4 HB2 ARG 4 -1.740 -11.465 0.051
25 HB3 ARG 4 HB1 ARG 4 -2.840 -10.093 -0.092
26 HG2 ARG 4 HG2 ARG 4 -2.111 -9.744 -2.422
27 HG3 ARG 4 HG1 ARG 4 -1.008 -11.114 -2.283
28 HD2 ARG 4 HD2 ARG 4 -2.906 -12.066 -3.290
29 HD3 ARG 4 HD1 ARG 4 -3.118 -12.458 -1.586
30 HE ARG 4 HE ARG 4 -4.978 -11.070 -1.559
31 HH11 ARG 4 HH11 ARG 4 -6.465 -9.644 -2.515
32 HH12 ARG 4 HH12 ARG 4 -6.091 -8.901 -4.034
33 HH21 ARG 4 HH21 ARG 4 -2.997 -10.439 -4.326
34 HH22 ARG 4 HH22 ARG 4 -4.128 -9.351 -5.059
35 H GLY 5 HN GLY 5 0.793 -8.086 1.297
36 HA2 GLY 5 HA2 GLY 5 -1.139 -7.375 3.348
37 HA3 GLY 5 HA1 GLY 5 0.188 -8.392 3.900
38 H PHE 6 HN PHE 6 2.390 -7.590 3.565
39 HA PHE 6 HA PHE 6 2.888 -5.103 4.599
40 HB2 PHE 6 HB2 PHE 6 4.429 -7.172 3.388
41 HB3 PHE 6 HB1 PHE 6 4.961 -5.632 2.713
42 HD1 PHE 6 HD1 PHE 6 4.730 -7.691 5.733
43 HD2 PHE 6 HD2 PHE 6 5.809 -3.833 4.183
44 HE1 PHE 6 HE1 PHE 6 5.941 -7.185 7.838
45 HE2 PHE 6 HE2 PHE 6 7.020 -3.327 6.287
46 HZ PHE 6 HZ PHE 6 7.086 -5.002 8.114
47 H SER 7 HN SER 7 2.688 -5.955 1.149
48 HA SER 7 HA SER 7 2.944 -3.158 0.375
49 HB2 SER 7 HB2 SER 7 2.934 -5.780 -1.027
50 HB3 SER 7 HB1 SER 7 2.367 -4.383 -1.938
51 HG SER 7 HG SER 7 4.881 -4.885 -0.776
52 H CYS 8 HN CYS 8 0.479 -5.186 1.387
53 HA CYS 8 HA CYS 8 -1.616 -4.166 -0.327
54 HB2 CYS 8 HB2 CYS 8 -1.441 -6.446 1.026
55 HB3 CYS 8 HB1 CYS 8 -2.214 -5.481 2.284
56 HG CYS 8 HG CYS 8 -4.143 -6.433 0.831
57 H LEU 9 HN LEU 9 -0.413 -3.560 2.940
58 HA LEU 9 HA LEU 9 -2.510 -1.689 3.583
59 HB2 LEU 9 HB2 LEU 9 -1.225 -1.269 5.613
60 HB3 LEU 9 HB1 LEU 9 -1.334 -3.005 5.323
61 HG LEU 9 HG LEU 9 0.943 -2.296 3.923
62 HD11 LEU 9 HD11 LEU 9 1.019 -0.857 6.587
63 HD12 LEU 9 HD12 LEU 9 0.745 -0.032 5.053
64 HD13 LEU 9 HD13 LEU 9 2.267 -0.875 5.342
65 HD21 LEU 9 HD21 LEU 9 0.553 -3.341 6.740
66 HD22 LEU 9 HD22 LEU 9 2.119 -3.327 5.929
67 HD23 LEU 9 HD23 LEU 9 0.792 -4.284 5.270
68 H LEU 10 HN LEU 10 0.569 -1.555 2.010
69 HA LEU 10 HA LEU 10 0.953 1.286 2.387
70 HB2 LEU 10 HB2 LEU 10 2.298 -0.725 0.568
71 HB3 LEU 10 HB1 LEU 10 2.784 0.962 0.701
72 HG LEU 10 HG LEU 10 2.668 -0.979 3.031
73 HD11 LEU 10 HD11 LEU 10 5.063 -1.136 2.873
74 HD12 LEU 10 HD12 LEU 10 5.117 0.093 1.609
75 HD13 LEU 10 HD13 LEU 10 4.415 -1.490 1.272
76 HD21 LEU 10 HD21 LEU 10 4.310 0.980 3.843
77 HD22 LEU 10 HD22 LEU 10 2.566 1.079 4.074
78 HD23 LEU 10 HD23 LEU 10 3.325 1.923 2.726
79 H LEU 11 HN LEU 11 -0.843 -0.717 0.274
80 HA LEU 11 HA LEU 11 -0.874 0.993 -2.017
81 HB2 LEU 11 HB2 LEU 11 -1.447 -1.382 -2.191
82 HB3 LEU 11 HB1 LEU 11 -2.834 -1.138 -1.130
83 HG LEU 11 HG LEU 11 -2.789 0.744 -3.371
84 HD11 LEU 11 HD11 LEU 11 -1.753 -1.163 -4.528
85 HD12 LEU 11 HD12 LEU 11 -3.414 -0.943 -5.079
86 HD13 LEU 11 HD13 LEU 11 -3.027 -2.228 -3.935
87 HD21 LEU 11 HD21 LEU 11 -4.803 -1.329 -2.440
88 HD22 LEU 11 HD22 LEU 11 -5.132 0.020 -3.528
89 HD23 LEU 11 HD23 LEU 11 -4.708 0.328 -1.844
90 H LEU 12 HN LEU 12 -2.757 0.765 0.933
91 HA LEU 12 HA LEU 12 -4.884 2.477 0.088
92 HB2 LEU 12 HB2 LEU 12 -3.912 1.516 2.774
93 HB3 LEU 12 HB1 LEU 12 -5.235 2.674 2.629
94 HG LEU 12 HG LEU 12 -5.452 0.328 0.849
95 HD11 LEU 12 HD11 LEU 12 -4.542 -0.810 2.795
96 HD12 LEU 12 HD12 LEU 12 -6.277 -1.118 2.725
97 HD13 LEU 12 HD13 LEU 12 -5.636 0.066 3.865
98 HD21 LEU 12 HD21 LEU 12 -7.381 1.523 2.860
99 HD22 LEU 12 HD22 LEU 12 -7.779 0.506 1.475
100 HD23 LEU 12 HD23 LEU 12 -7.176 2.144 1.222
101 H THR 13 HN THR 13 -1.924 2.980 1.994
102 HA THR 13 HA THR 13 -2.333 5.711 2.560
103 HB THR 13 HB THR 13 0.008 5.776 3.129
104 HG1 THR 13 HG1 THR 13 0.418 4.453 1.068
105 HG21 THR 13 HG21 THR 13 -0.216 3.014 3.916
106 HG22 THR 13 HG22 THR 13 -1.790 3.798 4.054
107 HG23 THR 13 HG23 THR 13 -0.396 4.462 4.906
108 H DSN 14 HN DSE 14 -1.449 4.085 -0.338
109 HA DSN 14 HA DSE 14 -1.084 6.687 -1.667
110 HB2 DSN 14 HB1 DSE 14 -2.785 4.715 -2.323
111 HB3 DSN 14 HB2 DSE 14 -1.381 4.192 -3.249
112 HG DSN 14 HG DSE 14 -2.588 6.752 -3.338
113 H GLU 15 HN GLU 15 0.817 4.448 -0.300
114 HA GLU 15 HA GLU 15 3.200 5.289 -1.475
115 HB2 GLU 15 HB2 GLU 15 2.374 3.258 0.433
116 HB3 GLU 15 HB1 GLU 15 3.715 2.704 -0.569
117 HG2 GLU 15 HG2 GLU 15 3.677 5.387 0.834
118 HG3 GLU 15 HG1 GLU 15 4.417 3.942 1.520
119 H ILE 16 HN ILE 16 1.583 2.136 -1.958
120 HA ILE 16 HA ILE 16 3.103 1.799 -4.451
121 HB ILE 16 HB ILE 16 1.332 -0.211 -3.050
122 HG12 ILE 16 HG12 ILE 16 4.336 0.186 -2.854
123 HG13 ILE 16 HG11 ILE 16 3.178 0.566 -1.578
124 HG21 ILE 16 HG21 ILE 16 1.876 -0.599 -5.463
125 HG22 ILE 16 HG22 ILE 16 2.566 -1.826 -4.400
126 HG23 ILE 16 HG23 ILE 16 3.589 -0.545 -5.050
127 HD11 ILE 16 HD11 ILE 16 2.415 -1.859 -1.724
128 HD12 ILE 16 HD12 ILE 16 4.032 -1.608 -1.066
129 HD13 ILE 16 HD13 ILE 16 3.831 -2.150 -2.733
130 H ASP 17 HN ASP 17 1.662 3.581 -5.298
131 HA ASP 17 HA ASP 17 -0.984 2.581 -6.125
132 HB2 ASP 17 HB2 ASP 17 -0.245 5.029 -5.123
133 HB3 ASP 17 HB1 ASP 17 -0.263 5.329 -6.860
134 H LEU 18 HN LEU 18 1.546 1.654 -7.291
135 HA LEU 18 HA LEU 18 1.501 2.845 -9.965
136 HB2 LEU 18 HB2 LEU 18 3.331 0.590 -9.509
137 HB3 LEU 18 HB1 LEU 18 3.642 2.182 -10.192
138 HG LEU 18 HG LEU 18 3.340 1.568 -7.234
139 HD11 LEU 18 HD11 LEU 18 5.596 1.539 -9.069
140 HD12 LEU 18 HD12 LEU 18 5.511 1.009 -7.390
141 HD13 LEU 18 HD13 LEU 18 5.833 2.702 -7.764
142 HD21 LEU 18 HD21 LEU 18 3.231 4.035 -8.807
143 HD22 LEU 18 HD22 LEU 18 4.487 4.078 -7.570
144 HD23 LEU 18 HD23 LEU 18 2.811 3.768 -7.115
145 HA PRO 19 HA PRO 19 0.240 -1.624 -10.923
146 HB2 PRO 19 HB2 PRO 19 -0.369 -3.343 -8.921
147 HB3 PRO 19 HB1 PRO 19 1.299 -3.059 -9.455
148 HG2 PRO 19 HG2 PRO 19 -0.093 -2.113 -7.029
149 HG3 PRO 19 HG1 PRO 19 1.619 -2.476 -7.285
150 HD2 PRO 19 HD2 PRO 19 0.431 0.091 -7.273
151 HD3 PRO 19 HD1 PRO 19 2.082 -0.305 -7.785
152 H VAL 20 HN VAL 20 -1.383 0.696 -9.641
153 HA VAL 20 HA VAL 20 -3.996 -0.538 -10.104
154 HB VAL 20 HB VAL 20 -3.656 -0.698 -7.667
155 HG11 VAL 20 HG11 VAL 20 -2.815 1.001 -6.419
156 HG12 VAL 20 HG12 VAL 20 -3.803 2.209 -7.239
157 HG13 VAL 20 HG13 VAL 20 -2.285 1.674 -7.960
158 HG21 VAL 20 HG21 VAL 20 -5.819 0.482 -9.033
159 HG22 VAL 20 HG22 VAL 20 -5.572 1.480 -7.600
160 HG23 VAL 20 HG23 VAL 20 -5.856 -0.253 -7.430
161 H LYS 21 HN LYS 21 -2.543 1.183 -11.759
162 HA LYS 21 HA LYS 21 -4.403 3.421 -11.913
163 HB2 LYS 21 HB2 LYS 21 -2.427 4.162 -10.494
164 HB3 LYS 21 HB1 LYS 21 -1.434 3.972 -11.940
165 HG2 LYS 21 HG2 LYS 21 -3.074 5.498 -13.135
166 HG3 LYS 21 HG1 LYS 21 -3.791 5.832 -11.558
167 HD2 LYS 21 HD2 LYS 21 -1.665 6.685 -10.723
168 HD3 LYS 21 HD1 LYS 21 -0.865 6.252 -12.234
169 HE2 LYS 21 HE2 LYS 21 -3.171 8.208 -12.025
170 HE3 LYS 21 HE1 LYS 21 -1.474 8.677 -12.113
171 HZ1 LYS 21 HZ1 LYS 21 -3.196 8.049 -14.217
172 HZ2 LYS 21 HZ2 LYS 21 -2.008 6.835 -14.158
173 HZ3 LYS 21 HZ3 LYS 21 -1.554 8.467 -14.299
174 H ARG 22 HN ARG 22 -1.243 2.511 -13.311
175 HA ARG 22 HA ARG 22 -2.549 2.194 -15.928
176 HB2 ARG 22 HB2 ARG 22 -0.256 3.379 -16.709
177 HB3 ARG 22 HB1 ARG 22 -1.751 4.272 -16.431
178 HG2 ARG 22 HG2 ARG 22 -1.068 4.841 -14.179
179 HG3 ARG 22 HG1 ARG 22 0.350 3.798 -14.300
180 HD2 ARG 22 HD2 ARG 22 -0.134 6.145 -16.147
181 HD3 ARG 22 HD1 ARG 22 0.798 6.272 -14.658
182 HE ARG 22 HE ARG 22 1.850 4.133 -16.133
183 HH11 ARG 22 HH11 ARG 22 3.712 4.449 -17.395
184 HH12 ARG 22 HH12 ARG 22 4.147 6.047 -17.902
185 HH21 ARG 22 HH21 ARG 22 1.443 7.563 -16.347
186 HH22 ARG 22 HH22 ARG 22 2.862 7.810 -17.309
187 H ARG 23 HN ARG 23 -0.936 1.259 -17.546
188 HA ARG 23 HA ARG 23 -0.003 -1.212 -16.642
189 HB2 ARG 23 HB2 ARG 23 -0.479 -0.721 -19.008
190 HB3 ARG 23 HB1 ARG 23 0.921 0.350 -19.066
191 HG2 ARG 23 HG2 ARG 23 2.328 -1.386 -19.351
192 HG3 ARG 23 HG1 ARG 23 1.642 -2.239 -17.968
193 HD2 ARG 23 HD2 ARG 23 -0.150 -3.132 -19.333
194 HD3 ARG 23 HD1 ARG 23 0.355 -2.155 -20.709
195 HE ARG 23 HE ARG 23 1.566 -4.630 -19.807
196 HH11 ARG 23 HH11 ARG 23 3.241 -5.419 -21.122
197 HH12 ARG 23 HH12 ARG 23 3.953 -4.390 -22.320
198 HH21 ARG 23 HH21 ARG 23 1.937 -1.672 -21.563
199 HH22 ARG 23 HH22 ARG 23 3.214 -2.268 -22.569
200 H ALA 24 HN ALA 24 1.760 1.822 -17.188
201 HA ALA 24 HA ALA 24 3.902 2.463 -16.629
202 HB1 ALA 24 HB1 ALA 24 4.505 2.061 -14.327
203 HB2 ALA 24 HB2 ALA 24 3.405 0.685 -14.231
204 HB3 ALA 24 HB3 ALA 24 2.762 2.319 -14.399
Start of MODEL 2
1 H MET 1 HN MET 1 3.350 -8.855 -8.076
2 HA MET 1 HA MET 1 1.123 -10.667 -7.727
3 HB2 MET 1 HB2 MET 1 3.006 -11.748 -9.271
4 HB3 MET 1 HB1 MET 1 3.756 -12.067 -7.707
5 HG2 MET 1 HG2 MET 1 1.529 -13.045 -6.967
6 HG3 MET 1 HG1 MET 1 1.019 -12.946 -8.652
7 HE1 MET 1 HE1 MET 1 0.498 -15.402 -8.687
8 HE2 MET 1 HE2 MET 1 1.683 -16.396 -9.531
9 HE3 MET 1 HE3 MET 1 1.224 -14.830 -10.195
10 H ALA 2 HN ALA 2 2.188 -8.472 -6.257
11 HA ALA 2 HA ALA 2 3.810 -9.344 -4.087
12 HB1 ALA 2 HB1 ALA 2 2.539 -6.908 -4.944
13 HB2 ALA 2 HB2 ALA 2 3.882 -7.120 -3.819
14 HB3 ALA 2 HB3 ALA 2 2.221 -7.172 -3.229
15 HA PRO 3 HA PRO 3 0.904 -11.301 -1.431
16 HB2 PRO 3 HB2 PRO 3 1.571 -10.322 1.044
17 HB3 PRO 3 HB1 PRO 3 2.542 -11.518 0.166
18 HG2 PRO 3 HG2 PRO 3 2.956 -8.589 0.455
19 HG3 PRO 3 HG1 PRO 3 4.144 -9.903 0.433
20 HD2 PRO 3 HD2 PRO 3 3.661 -8.291 -1.729
21 HD3 PRO 3 HD1 PRO 3 4.233 -9.967 -1.873
22 H ARG 4 HN ARG 4 -0.391 -10.546 0.836
23 HA ARG 4 HA ARG 4 -1.948 -8.156 0.042
24 HB2 ARG 4 HB2 ARG 4 -2.950 -10.629 -0.083
25 HB3 ARG 4 HB1 ARG 4 -3.236 -10.320 1.630
26 HG2 ARG 4 HG2 ARG 4 -4.330 -8.146 0.978
27 HG3 ARG 4 HG1 ARG 4 -4.196 -8.649 -0.708
28 HD2 ARG 4 HD2 ARG 4 -5.637 -10.202 1.458
29 HD3 ARG 4 HD1 ARG 4 -6.421 -9.194 0.246
30 HE ARG 4 HE ARG 4 -4.696 -11.232 -0.872
31 HH11 ARG 4 HH11 ARG 4 -5.754 -12.861 -2.050
32 HH12 ARG 4 HH12 ARG 4 -7.471 -13.047 -1.912
33 HH21 ARG 4 HH21 ARG 4 -7.840 -10.430 0.332
34 HH22 ARG 4 HH22 ARG 4 -8.652 -11.671 -0.563
35 H GLY 5 HN GLY 5 0.321 -8.169 1.798
36 HA2 GLY 5 HA2 GLY 5 -1.012 -7.260 4.270
37 HA3 GLY 5 HA1 GLY 5 0.391 -8.320 4.370
38 H PHE 6 HN PHE 6 2.442 -7.532 3.762
39 HA PHE 6 HA PHE 6 3.058 -4.925 4.496
40 HB2 PHE 6 HB2 PHE 6 4.465 -7.198 3.474
41 HB3 PHE 6 HB1 PHE 6 5.008 -5.760 2.610
42 HD1 PHE 6 HD1 PHE 6 4.679 -7.350 5.930
43 HD2 PHE 6 HD2 PHE 6 6.163 -3.960 3.748
44 HE1 PHE 6 HE1 PHE 6 6.005 -6.658 7.908
45 HE2 PHE 6 HE2 PHE 6 7.491 -3.268 5.727
46 HZ PHE 6 HZ PHE 6 7.411 -4.617 7.806
47 H SER 7 HN SER 7 2.359 -6.260 1.299
48 HA SER 7 HA SER 7 2.789 -3.668 0.027
49 HB2 SER 7 HB2 SER 7 2.469 -6.459 -0.868
50 HB3 SER 7 HB1 SER 7 1.727 -5.254 -1.917
51 HG SER 7 HG SER 7 4.417 -5.364 -1.010
52 H CYS 8 HN CYS 8 0.325 -5.155 1.698
53 HA CYS 8 HA CYS 8 -1.867 -4.141 0.073
54 HB2 CYS 8 HB2 CYS 8 -2.629 -6.054 1.065
55 HB3 CYS 8 HB1 CYS 8 -1.594 -5.859 2.480
56 HG CYS 8 HG CYS 8 -3.284 -3.988 3.327
57 H LEU 9 HN LEU 9 -0.360 -3.458 3.219
58 HA LEU 9 HA LEU 9 -2.133 -1.292 3.838
59 HB2 LEU 9 HB2 LEU 9 -0.657 -0.860 5.706
60 HB3 LEU 9 HB1 LEU 9 -0.878 -2.603 5.556
61 HG LEU 9 HG LEU 9 1.294 -2.137 3.918
62 HD11 LEU 9 HD11 LEU 9 1.271 0.231 4.905
63 HD12 LEU 9 HD12 LEU 9 2.794 -0.649 5.023
64 HD13 LEU 9 HD13 LEU 9 1.742 -0.517 6.431
65 HD21 LEU 9 HD21 LEU 9 1.146 -2.890 6.851
66 HD22 LEU 9 HD22 LEU 9 2.598 -3.079 5.869
67 HD23 LEU 9 HD23 LEU 9 1.140 -3.986 5.468
68 H LEU 10 HN LEU 10 0.541 -1.624 1.762
69 HA LEU 10 HA LEU 10 1.316 1.184 1.892
70 HB2 LEU 10 HB2 LEU 10 2.255 -1.137 0.196
71 HB3 LEU 10 HB1 LEU 10 2.876 0.501 0.019
72 HG LEU 10 HG LEU 10 2.929 -1.080 2.609
73 HD11 LEU 10 HD11 LEU 10 5.237 -0.463 0.750
74 HD12 LEU 10 HD12 LEU 10 4.375 -2.001 0.748
75 HD13 LEU 10 HD13 LEU 10 5.261 -1.490 2.184
76 HD21 LEU 10 HD21 LEU 10 3.603 1.696 1.847
77 HD22 LEU 10 HD22 LEU 10 4.865 0.865 2.752
78 HD23 LEU 10 HD23 LEU 10 3.248 1.019 3.435
79 H LEU 11 HN LEU 11 -0.927 -0.779 0.243
80 HA LEU 11 HA LEU 11 -1.084 0.875 -2.137
81 HB2 LEU 11 HB2 LEU 11 -1.560 -1.591 -2.147
82 HB3 LEU 11 HB1 LEU 11 -3.006 -1.262 -1.192
83 HG LEU 11 HG LEU 11 -3.078 0.566 -3.339
84 HD11 LEU 11 HD11 LEU 11 -2.904 -0.859 -5.306
85 HD12 LEU 11 HD12 LEU 11 -2.515 -2.255 -4.301
86 HD13 LEU 11 HD13 LEU 11 -1.376 -0.913 -4.427
87 HD21 LEU 11 HD21 LEU 11 -4.537 -2.037 -2.799
88 HD22 LEU 11 HD22 LEU 11 -5.036 -0.868 -4.021
89 HD23 LEU 11 HD23 LEU 11 -5.042 -0.419 -2.315
90 H LEU 12 HN LEU 12 -2.906 0.379 0.852
91 HA LEU 12 HA LEU 12 -5.100 2.050 0.211
92 HB2 LEU 12 HB2 LEU 12 -3.910 1.117 2.821
93 HB3 LEU 12 HB1 LEU 12 -5.319 2.178 2.762
94 HG LEU 12 HG LEU 12 -5.486 -0.145 0.957
95 HD11 LEU 12 HD11 LEU 12 -4.376 -1.313 2.740
96 HD12 LEU 12 HD12 LEU 12 -6.097 -1.660 2.902
97 HD13 LEU 12 HD13 LEU 12 -5.332 -0.478 3.963
98 HD21 LEU 12 HD21 LEU 12 -7.764 -0.181 1.805
99 HD22 LEU 12 HD22 LEU 12 -7.320 1.494 1.483
100 HD23 LEU 12 HD23 LEU 12 -7.326 0.887 3.138
101 H THR 13 HN THR 13 -2.127 2.678 2.077
102 HA THR 13 HA THR 13 -2.588 5.347 2.717
103 HB THR 13 HB THR 13 0.030 5.456 2.519
104 HG1 THR 13 HG1 THR 13 0.803 3.727 1.651
105 HG21 THR 13 HG21 THR 13 0.153 4.032 4.636
106 HG22 THR 13 HG22 THR 13 -1.563 3.700 4.393
107 HG23 THR 13 HG23 THR 13 -1.014 5.354 4.661
108 H DSN 14 HN DSE 14 -0.747 4.085 -0.072
109 HA DSN 14 HA DSE 14 -1.071 6.698 -1.392
110 HB2 DSN 14 HB1 DSE 14 -2.706 4.648 -2.053
111 HB3 DSN 14 HB2 DSE 14 -1.350 4.317 -3.127
112 HG DSN 14 HG DSE 14 -1.680 6.877 -3.274
113 H GLU 15 HN GLU 15 0.831 3.998 -0.607
114 HA GLU 15 HA GLU 15 3.173 5.158 -1.776
115 HB2 GLU 15 HB2 GLU 15 2.538 2.963 0.040
116 HB3 GLU 15 HB1 GLU 15 3.846 2.564 -1.072
117 HG2 GLU 15 HG2 GLU 15 3.761 5.149 0.497
118 HG3 GLU 15 HG1 GLU 15 4.564 3.696 1.089
119 H ILE 16 HN ILE 16 1.625 1.974 -2.301
120 HA ILE 16 HA ILE 16 3.067 1.582 -4.770
121 HB ILE 16 HB ILE 16 0.780 0.028 -3.536
122 HG12 ILE 16 HG12 ILE 16 3.708 -0.714 -3.656
123 HG13 ILE 16 HG11 ILE 16 3.042 0.213 -2.311
124 HG21 ILE 16 HG21 ILE 16 2.171 -0.148 -6.109
125 HG22 ILE 16 HG22 ILE 16 0.689 -0.944 -5.579
126 HG23 ILE 16 HG23 ILE 16 2.257 -1.648 -5.185
127 HD11 ILE 16 HD11 ILE 16 1.369 -1.582 -1.930
128 HD12 ILE 16 HD12 ILE 16 3.022 -2.174 -1.764
129 HD13 ILE 16 HD13 ILE 16 2.104 -2.519 -3.230
130 H ASP 17 HN ASP 17 1.868 3.923 -5.139
131 HA ASP 17 HA ASP 17 -0.442 3.334 -6.898
132 HB2 ASP 17 HB2 ASP 17 -0.083 5.329 -4.819
133 HB3 ASP 17 HB1 ASP 17 -0.471 6.071 -6.371
134 H LEU 18 HN LEU 18 2.771 4.110 -6.850
135 HA LEU 18 HA LEU 18 2.639 5.828 -9.228
136 HB2 LEU 18 HB2 LEU 18 5.296 5.173 -8.161
137 HB3 LEU 18 HB1 LEU 18 4.600 6.733 -8.589
138 HG LEU 18 HG LEU 18 4.019 5.186 -6.042
139 HD11 LEU 18 HD11 LEU 18 6.061 7.108 -6.794
140 HD12 LEU 18 HD12 LEU 18 5.900 6.170 -5.310
141 HD13 LEU 18 HD13 LEU 18 5.065 7.715 -5.473
142 HD21 LEU 18 HD21 LEU 18 2.673 7.393 -7.416
143 HD22 LEU 18 HD22 LEU 18 3.157 7.816 -5.773
144 HD23 LEU 18 HD23 LEU 18 2.118 6.419 -6.055
145 HA PRO 19 HA PRO 19 5.140 2.111 -10.787
146 HB2 PRO 19 HB2 PRO 19 5.302 -0.152 -9.296
147 HB3 PRO 19 HB1 PRO 19 6.406 1.218 -9.081
148 HG2 PRO 19 HG2 PRO 19 4.140 0.340 -7.408
149 HG3 PRO 19 HG1 PRO 19 5.624 1.191 -6.953
150 HD2 PRO 19 HD2 PRO 19 3.072 2.349 -7.325
151 HD3 PRO 19 HD1 PRO 19 4.605 3.217 -7.132
152 H VAL 20 HN VAL 20 2.029 2.124 -9.697
153 HA VAL 20 HA VAL 20 1.131 -0.437 -10.665
154 HB VAL 20 HB VAL 20 -1.123 0.492 -10.287
155 HG11 VAL 20 HG11 VAL 20 0.865 1.099 -8.077
156 HG12 VAL 20 HG12 VAL 20 0.127 -0.471 -8.396
157 HG13 VAL 20 HG13 VAL 20 -0.872 0.879 -7.857
158 HG21 VAL 20 HG21 VAL 20 0.466 3.027 -9.849
159 HG22 VAL 20 HG22 VAL 20 -1.162 2.819 -9.207
160 HG23 VAL 20 HG23 VAL 20 -0.889 2.771 -10.949
161 H LYS 21 HN LYS 21 2.663 1.249 -12.524
162 HA LYS 21 HA LYS 21 0.783 1.131 -14.759
163 HB2 LYS 21 HB2 LYS 21 0.721 3.478 -13.823
164 HB3 LYS 21 HB1 LYS 21 2.423 3.622 -14.266
165 HG2 LYS 21 HG2 LYS 21 1.872 3.143 -16.612
166 HG3 LYS 21 HG1 LYS 21 0.171 2.954 -16.184
167 HD2 LYS 21 HD2 LYS 21 -0.054 5.252 -15.621
168 HD3 LYS 21 HD1 LYS 21 1.693 5.493 -15.586
169 HE2 LYS 21 HE2 LYS 21 1.819 5.776 -17.836
170 HE3 LYS 21 HE1 LYS 21 0.676 4.471 -18.154
171 HZ1 LYS 21 HZ1 LYS 21 0.213 7.257 -18.093
172 HZ2 LYS 21 HZ2 LYS 21 -0.758 6.494 -16.926
173 HZ3 LYS 21 HZ3 LYS 21 -0.843 6.012 -18.553
174 H ARG 22 HN ARG 22 4.084 1.760 -13.636
175 HA ARG 22 HA ARG 22 5.176 0.987 -16.238
176 HB2 ARG 22 HB2 ARG 22 6.454 2.013 -13.698
177 HB3 ARG 22 HB1 ARG 22 7.372 1.530 -15.125
178 HG2 ARG 22 HG2 ARG 22 6.179 3.190 -16.483
179 HG3 ARG 22 HG1 ARG 22 5.207 3.653 -15.085
180 HD2 ARG 22 HD2 ARG 22 6.954 5.269 -15.210
181 HD3 ARG 22 HD1 ARG 22 7.405 4.179 -13.900
182 HE ARG 22 HE ARG 22 8.546 3.219 -16.291
183 HH11 ARG 22 HH11 ARG 22 10.741 3.631 -16.701
184 HH12 ARG 22 HH12 ARG 22 11.541 4.930 -15.881
185 HH21 ARG 22 HH21 ARG 22 8.726 5.890 -14.099
186 HH22 ARG 22 HH22 ARG 22 10.400 6.209 -14.407
187 H ARG 23 HN ARG 23 4.170 -1.218 -15.832
188 HA ARG 23 HA ARG 23 5.711 -2.893 -13.986
189 HB2 ARG 23 HB2 ARG 23 3.417 -3.685 -15.792
190 HB3 ARG 23 HB1 ARG 23 4.072 -4.604 -14.437
191 HG2 ARG 23 HG2 ARG 23 3.438 -2.712 -12.918
192 HG3 ARG 23 HG1 ARG 23 2.655 -1.928 -14.291
193 HD2 ARG 23 HD2 ARG 23 0.969 -3.151 -13.053
194 HD3 ARG 23 HD1 ARG 23 1.243 -3.977 -14.585
195 HE ARG 23 HE ARG 23 2.826 -4.965 -12.352
196 HH11 ARG 23 HH11 ARG 23 2.400 -7.117 -11.769
197 HH12 ARG 23 HH12 ARG 23 0.997 -7.918 -12.394
198 HH21 ARG 23 HH21 ARG 23 -0.074 -5.177 -14.229
199 HH22 ARG 23 HH22 ARG 23 -0.404 -6.819 -13.787
200 H ALA 24 HN ALA 24 5.716 -1.945 -17.247
201 HA ALA 24 HA ALA 24 6.945 -2.610 -19.068
202 HB1 ALA 24 HB1 ALA 24 9.099 -3.290 -18.647
203 HB2 ALA 24 HB2 ALA 24 8.606 -4.453 -17.418
204 HB3 ALA 24 HB3 ALA 24 8.661 -2.733 -17.032
Start of MODEL 3
1 H MET 1 HN MET 1 3.055 -8.664 -5.377
2 HA MET 1 HA MET 1 5.473 -9.426 -6.015
3 HB2 MET 1 HB2 MET 1 5.720 -6.460 -5.476
4 HB3 MET 1 HB1 MET 1 7.091 -7.570 -5.506
5 HG2 MET 1 HG2 MET 1 7.039 -7.774 -7.776
6 HG3 MET 1 HG1 MET 1 5.277 -7.758 -7.835
7 HE1 MET 1 HE1 MET 1 4.407 -5.951 -9.458
8 HE2 MET 1 HE2 MET 1 4.197 -4.411 -8.631
9 HE3 MET 1 HE3 MET 1 3.816 -5.911 -7.790
10 H ALA 2 HN ALA 2 3.396 -9.401 -3.895
11 HA ALA 2 HA ALA 2 5.155 -9.974 -1.674
12 HB1 ALA 2 HB1 ALA 2 3.923 -7.401 -1.849
13 HB2 ALA 2 HB2 ALA 2 4.917 -8.054 -0.547
14 HB3 ALA 2 HB3 ALA 2 3.168 -8.292 -0.528
15 HA PRO 3 HA PRO 3 1.934 -12.813 -0.722
16 HB2 PRO 3 HB2 PRO 3 1.979 -12.912 2.015
17 HB3 PRO 3 HB1 PRO 3 3.242 -13.622 0.994
18 HG2 PRO 3 HG2 PRO 3 3.237 -11.041 2.475
19 HG3 PRO 3 HG1 PRO 3 4.544 -12.217 2.257
20 HD2 PRO 3 HD2 PRO 3 4.370 -9.899 0.808
21 HD3 PRO 3 HD1 PRO 3 5.140 -11.377 0.190
22 H ARG 4 HN ARG 4 1.065 -10.069 -1.125
23 HA ARG 4 HA ARG 4 -0.759 -8.704 -0.806
24 HB2 ARG 4 HB2 ARG 4 -1.837 -10.878 -1.487
25 HB3 ARG 4 HB1 ARG 4 -2.075 -11.223 0.226
26 HG2 ARG 4 HG2 ARG 4 -3.451 -9.254 0.502
27 HG3 ARG 4 HG1 ARG 4 -3.080 -8.708 -1.133
28 HD2 ARG 4 HD2 ARG 4 -5.249 -9.722 -1.230
29 HD3 ARG 4 HD1 ARG 4 -4.130 -10.858 -1.975
30 HE ARG 4 HE ARG 4 -5.511 -11.191 0.578
31 HH11 ARG 4 HH11 ARG 4 -5.359 -13.276 1.457
32 HH12 ARG 4 HH12 ARG 4 -4.234 -14.413 0.792
33 HH21 ARG 4 HH21 ARG 4 -3.037 -12.229 -1.618
34 HH22 ARG 4 HH22 ARG 4 -2.922 -13.820 -0.947
35 H GLY 5 HN GLY 5 0.687 -7.863 1.023
36 HA2 GLY 5 HA2 GLY 5 -0.965 -7.445 3.331
37 HA3 GLY 5 HA1 GLY 5 0.435 -8.451 3.696
38 H PHE 6 HN PHE 6 2.572 -7.567 3.222
39 HA PHE 6 HA PHE 6 3.098 -5.119 4.330
40 HB2 PHE 6 HB2 PHE 6 4.575 -7.081 2.876
41 HB3 PHE 6 HB1 PHE 6 5.013 -5.490 2.253
42 HD1 PHE 6 HD1 PHE 6 5.721 -3.680 3.887
43 HD2 PHE 6 HD2 PHE 6 5.304 -7.803 5.020
44 HE1 PHE 6 HE1 PHE 6 7.095 -3.264 5.910
45 HE2 PHE 6 HE2 PHE 6 6.678 -7.386 7.042
46 HZ PHE 6 HZ PHE 6 7.573 -5.116 7.487
47 H SER 7 HN SER 7 2.577 -5.815 0.882
48 HA SER 7 HA SER 7 2.739 -2.991 0.201
49 HB2 SER 7 HB2 SER 7 2.578 -5.553 -1.290
50 HB3 SER 7 HB1 SER 7 1.886 -4.136 -2.074
51 HG SER 7 HG SER 7 4.378 -3.883 -0.839
52 H CYS 8 HN CYS 8 0.373 -5.165 1.274
53 HA CYS 8 HA CYS 8 -1.885 -4.041 -0.107
54 HB2 CYS 8 HB2 CYS 8 -3.051 -5.720 0.861
55 HB3 CYS 8 HB1 CYS 8 -1.465 -6.343 1.318
56 HG CYS 8 HG CYS 8 -3.452 -5.618 3.308
57 H LEU 9 HN LEU 9 -0.401 -3.618 3.083
58 HA LEU 9 HA LEU 9 -2.396 -1.743 3.979
59 HB2 LEU 9 HB2 LEU 9 -0.957 -1.452 5.919
60 HB3 LEU 9 HB1 LEU 9 -1.091 -3.170 5.543
61 HG LEU 9 HG LEU 9 1.070 -2.377 4.010
62 HD11 LEU 9 HD11 LEU 9 1.305 -1.059 6.731
63 HD12 LEU 9 HD12 LEU 9 1.008 -0.179 5.232
64 HD13 LEU 9 HD13 LEU 9 2.517 -1.065 5.449
65 HD21 LEU 9 HD21 LEU 9 2.395 -3.503 5.881
66 HD22 LEU 9 HD22 LEU 9 1.043 -4.436 5.239
67 HD23 LEU 9 HD23 LEU 9 0.879 -3.591 6.779
68 H LEU 10 HN LEU 10 0.454 -1.577 2.069
69 HA LEU 10 HA LEU 10 0.917 1.252 2.570
70 HB2 LEU 10 HB2 LEU 10 2.174 -0.738 0.671
71 HB3 LEU 10 HB1 LEU 10 2.645 0.958 0.747
72 HG LEU 10 HG LEU 10 2.696 -0.948 3.110
73 HD11 LEU 10 HD11 LEU 10 4.545 -1.765 2.088
74 HD12 LEU 10 HD12 LEU 10 5.299 -0.240 2.553
75 HD13 LEU 10 HD13 LEU 10 4.609 -0.427 0.941
76 HD21 LEU 10 HD21 LEU 10 4.416 1.120 3.654
77 HD22 LEU 10 HD22 LEU 10 2.747 1.045 4.217
78 HD23 LEU 10 HD23 LEU 10 3.145 1.957 2.763
79 H LEU 11 HN LEU 11 -1.060 -0.659 0.580
80 HA LEU 11 HA LEU 11 -1.200 1.144 -1.667
81 HB2 LEU 11 HB2 LEU 11 -1.693 -1.337 -1.758
82 HB3 LEU 11 HB1 LEU 11 -3.192 -0.995 -0.894
83 HG LEU 11 HG LEU 11 -3.139 0.889 -2.960
84 HD11 LEU 11 HD11 LEU 11 -2.796 -0.473 -4.983
85 HD12 LEU 11 HD12 LEU 11 -2.331 -1.850 -3.984
86 HD13 LEU 11 HD13 LEU 11 -1.318 -0.407 -4.024
87 HD21 LEU 11 HD21 LEU 11 -4.533 -1.801 -2.776
88 HD22 LEU 11 HD22 LEU 11 -5.009 -0.490 -3.855
89 HD23 LEU 11 HD23 LEU 11 -5.122 -0.279 -2.107
90 H LEU 12 HN LEU 12 -2.806 0.782 1.399
91 HA LEU 12 HA LEU 12 -5.120 2.343 0.770
92 HB2 LEU 12 HB2 LEU 12 -3.839 1.382 3.313
93 HB3 LEU 12 HB1 LEU 12 -5.170 2.540 3.364
94 HG LEU 12 HG LEU 12 -5.544 0.184 1.591
95 HD11 LEU 12 HD11 LEU 12 -6.301 -1.174 3.581
96 HD12 LEU 12 HD12 LEU 12 -5.514 0.016 4.617
97 HD13 LEU 12 HD13 LEU 12 -4.555 -0.941 3.489
98 HD21 LEU 12 HD21 LEU 12 -7.224 2.029 2.004
99 HD22 LEU 12 HD22 LEU 12 -7.335 1.471 3.673
100 HD23 LEU 12 HD23 LEU 12 -7.829 0.410 2.353
101 H THR 13 HN THR 13 -1.850 3.093 1.458
102 HA THR 13 HA THR 13 -2.475 5.836 2.289
103 HB THR 13 HB THR 13 -0.265 6.006 3.014
104 HG1 THR 13 HG1 THR 13 0.413 5.127 0.831
105 HG21 THR 13 HG21 THR 13 0.209 3.977 4.260
106 HG22 THR 13 HG22 THR 13 -0.796 3.027 3.165
107 HG23 THR 13 HG23 THR 13 -1.537 4.223 4.229
108 H DSN 14 HN DSE 14 -1.451 4.003 -0.462
109 HA DSN 14 HA DSE 14 -1.319 6.490 -2.034
110 HB2 DSN 14 HB1 DSE 14 -1.450 3.737 -3.223
111 HB3 DSN 14 HB2 DSE 14 -2.039 5.261 -3.882
112 HG DSN 14 HG DSE 14 -3.875 4.724 -3.063
113 H GLU 15 HN GLU 15 0.664 4.130 -0.673
114 HA GLU 15 HA GLU 15 3.031 5.215 -1.801
115 HB2 GLU 15 HB2 GLU 15 2.323 3.210 0.182
116 HB3 GLU 15 HB1 GLU 15 3.705 2.706 -0.792
117 HG2 GLU 15 HG2 GLU 15 3.488 5.440 0.489
118 HG3 GLU 15 HG1 GLU 15 4.293 4.073 1.259
119 H ILE 16 HN ILE 16 1.889 1.837 -2.045
120 HA ILE 16 HA ILE 16 3.441 1.408 -4.439
121 HB ILE 16 HB ILE 16 1.292 -0.407 -3.349
122 HG12 ILE 16 HG12 ILE 16 2.674 0.129 -1.449
123 HG13 ILE 16 HG11 ILE 16 3.193 -1.451 -2.037
124 HG21 ILE 16 HG21 ILE 16 2.167 -1.951 -4.757
125 HG22 ILE 16 HG22 ILE 16 3.824 -1.493 -4.366
126 HG23 ILE 16 HG23 ILE 16 2.919 -0.581 -5.572
127 HD11 ILE 16 HD11 ILE 16 5.214 -0.264 -1.695
128 HD12 ILE 16 HD12 ILE 16 4.560 1.218 -2.389
129 HD13 ILE 16 HD13 ILE 16 4.938 -0.152 -3.432
130 H ASP 17 HN ASP 17 2.030 3.459 -5.203
131 HA ASP 17 HA ASP 17 -0.091 2.338 -6.934
132 HB2 ASP 17 HB2 ASP 17 -1.434 3.594 -5.563
133 HB3 ASP 17 HB1 ASP 17 -0.147 4.726 -5.156
134 H LEU 18 HN LEU 18 2.807 4.063 -6.643
135 HA LEU 18 HA LEU 18 2.500 5.328 -9.277
136 HB2 LEU 18 HB2 LEU 18 5.021 5.771 -7.831
137 HB3 LEU 18 HB1 LEU 18 3.938 6.927 -8.599
138 HG LEU 18 HG LEU 18 3.478 5.616 -5.900
139 HD11 LEU 18 HD11 LEU 18 5.142 7.229 -5.554
140 HD12 LEU 18 HD12 LEU 18 3.655 8.120 -5.235
141 HD13 LEU 18 HD13 LEU 18 4.483 8.311 -6.781
142 HD21 LEU 18 HD21 LEU 18 1.795 7.805 -6.175
143 HD22 LEU 18 HD22 LEU 18 1.313 6.118 -6.350
144 HD23 LEU 18 HD23 LEU 18 1.747 7.064 -7.774
145 HA PRO 19 HA PRO 19 6.288 2.543 -9.899
146 HB2 PRO 19 HB2 PRO 19 6.964 0.705 -8.024
147 HB3 PRO 19 HB1 PRO 19 7.490 2.397 -7.935
148 HG2 PRO 19 HG2 PRO 19 5.413 0.983 -6.386
149 HG3 PRO 19 HG1 PRO 19 6.431 2.358 -5.930
150 HD2 PRO 19 HD2 PRO 19 3.732 2.468 -6.775
151 HD3 PRO 19 HD1 PRO 19 4.830 3.844 -6.564
152 H VAL 20 HN VAL 20 3.230 1.750 -9.533
153 HA VAL 20 HA VAL 20 3.501 -1.106 -10.205
154 HB VAL 20 HB VAL 20 0.909 -0.939 -9.966
155 HG11 VAL 20 HG11 VAL 20 3.042 -0.967 -7.885
156 HG12 VAL 20 HG12 VAL 20 1.860 -2.208 -8.298
157 HG13 VAL 20 HG13 VAL 20 1.377 -0.817 -7.327
158 HG21 VAL 20 HG21 VAL 20 1.640 1.382 -8.197
159 HG22 VAL 20 HG22 VAL 20 0.048 0.895 -8.778
160 HG23 VAL 20 HG23 VAL 20 1.194 1.660 -9.880
161 H LYS 21 HN LYS 21 4.153 1.118 -12.032
162 HA LYS 21 HA LYS 21 2.513 0.226 -14.277
163 HB2 LYS 21 HB2 LYS 21 1.818 2.571 -13.014
164 HB3 LYS 21 HB1 LYS 21 2.876 3.134 -14.308
165 HG2 LYS 21 HG2 LYS 21 1.545 1.831 -15.944
166 HG3 LYS 21 HG1 LYS 21 0.465 1.325 -14.645
167 HD2 LYS 21 HD2 LYS 21 -0.078 3.701 -14.189
168 HD3 LYS 21 HD1 LYS 21 0.964 4.184 -15.527
169 HE2 LYS 21 HE2 LYS 21 -1.167 4.129 -16.519
170 HE3 LYS 21 HE1 LYS 21 -0.493 2.556 -16.946
171 HZ1 LYS 21 HZ1 LYS 21 -1.740 2.430 -14.413
172 HZ2 LYS 21 HZ2 LYS 21 -2.094 1.551 -15.823
173 HZ3 LYS 21 HZ3 LYS 21 -2.829 3.059 -15.552
174 H ARG 22 HN ARG 22 3.570 0.324 -16.235
175 HA ARG 22 HA ARG 22 6.431 1.010 -16.081
176 HB2 ARG 22 HB2 ARG 22 4.817 -0.870 -17.773
177 HB3 ARG 22 HB1 ARG 22 6.372 -0.279 -18.360
178 HG2 ARG 22 HG2 ARG 22 7.568 -1.364 -16.705
179 HG3 ARG 22 HG1 ARG 22 6.231 -1.306 -15.556
180 HD2 ARG 22 HD2 ARG 22 5.030 -3.018 -16.844
181 HD3 ARG 22 HD1 ARG 22 6.334 -3.060 -18.026
182 HE ARG 22 HE ARG 22 7.587 -3.596 -15.655
183 HH11 ARG 22 HH11 ARG 22 7.846 -5.700 -14.841
184 HH12 ARG 22 HH12 ARG 22 6.737 -6.945 -15.308
185 HH21 ARG 22 HH21 ARG 22 4.848 -4.869 -17.342
186 HH22 ARG 22 HH22 ARG 22 5.040 -6.475 -16.726
187 H ARG 23 HN ARG 23 7.219 1.555 -18.501
188 HA ARG 23 HA ARG 23 5.420 3.566 -19.673
189 HB2 ARG 23 HB2 ARG 23 7.424 5.116 -19.840
190 HB3 ARG 23 HB1 ARG 23 6.757 4.906 -18.220
191 HG2 ARG 23 HG2 ARG 23 8.845 2.953 -18.997
192 HG3 ARG 23 HG1 ARG 23 9.398 4.617 -18.800
193 HD2 ARG 23 HD2 ARG 23 8.549 4.718 -16.553
194 HD3 ARG 23 HD1 ARG 23 7.710 3.181 -16.740
195 HE ARG 23 HE ARG 23 10.594 3.058 -17.101
196 HH11 ARG 23 HH11 ARG 23 11.687 1.782 -15.573
197 HH12 ARG 23 HH12 ARG 23 10.865 1.261 -14.140
198 HH21 ARG 23 HH21 ARG 23 7.882 2.825 -14.964
199 HH22 ARG 23 HH22 ARG 23 8.710 1.852 -13.796
200 H ALA 24 HN ALA 24 7.625 1.047 -20.011
201 HA ALA 24 HA ALA 24 7.693 1.454 -22.923
202 HB1 ALA 24 HB1 ALA 24 10.113 0.738 -21.249
203 HB2 ALA 24 HB2 ALA 24 9.849 2.277 -22.070
204 HB3 ALA 24 HB3 ALA 24 10.061 0.800 -23.011
Start of MODEL 4
1 H MET 1 HN MET 1 7.787 -11.077 -2.038
2 HA MET 1 HA MET 1 7.213 -9.194 -4.231
3 HB2 MET 1 HB2 MET 1 8.202 -11.378 -4.836
4 HB3 MET 1 HB1 MET 1 6.821 -12.194 -4.103
5 HG2 MET 1 HG2 MET 1 5.901 -10.151 -5.925
6 HG3 MET 1 HG1 MET 1 7.023 -11.232 -6.750
7 HE1 MET 1 HE1 MET 1 3.486 -11.888 -7.722
8 HE2 MET 1 HE2 MET 1 4.776 -12.930 -8.316
9 HE3 MET 1 HE3 MET 1 5.081 -11.211 -8.079
10 H ALA 2 HN ALA 2 5.703 -8.164 -2.577
11 HA ALA 2 HA ALA 2 3.599 -7.859 -1.659
12 HB1 ALA 2 HB1 ALA 2 1.802 -8.116 -3.333
13 HB2 ALA 2 HB2 ALA 2 2.921 -8.994 -4.376
14 HB3 ALA 2 HB3 ALA 2 3.217 -7.298 -3.994
15 HA PRO 3 HA PRO 3 2.863 -12.277 -0.552
16 HB2 PRO 3 HB2 PRO 3 3.625 -12.151 2.044
17 HB3 PRO 3 HB1 PRO 3 4.793 -12.359 0.726
18 HG2 PRO 3 HG2 PRO 3 4.161 -9.950 2.328
19 HG3 PRO 3 HG1 PRO 3 5.696 -10.465 1.611
20 HD2 PRO 3 HD2 PRO 3 3.936 -8.535 0.542
21 HD3 PRO 3 HD1 PRO 3 5.288 -9.302 -0.317
22 H ARG 4 HN ARG 4 1.021 -10.022 -0.698
23 HA ARG 4 HA ARG 4 -1.033 -9.346 0.080
24 HB2 ARG 4 HB2 ARG 4 -0.807 -12.220 0.660
25 HB3 ARG 4 HB1 ARG 4 -2.002 -11.376 1.645
26 HG2 ARG 4 HG2 ARG 4 -3.050 -10.457 -0.378
27 HG3 ARG 4 HG1 ARG 4 -1.836 -11.252 -1.380
28 HD2 ARG 4 HD2 ARG 4 -3.121 -13.094 -1.419
29 HD3 ARG 4 HD1 ARG 4 -2.902 -13.248 0.322
30 HE ARG 4 HE ARG 4 -4.933 -11.336 -0.268
31 HH11 ARG 4 HH11 ARG 4 -7.087 -11.959 0.094
32 HH12 ARG 4 HH12 ARG 4 -7.485 -13.638 0.233
33 HH21 ARG 4 HH21 ARG 4 -4.222 -14.721 -0.220
34 HH22 ARG 4 HH22 ARG 4 -5.863 -15.202 0.056
35 H GLY 5 HN GLY 5 -0.208 -7.677 1.407
36 HA2 GLY 5 HA2 GLY 5 -1.090 -7.238 3.855
37 HA3 GLY 5 HA1 GLY 5 0.276 -8.284 4.233
38 H PHE 6 HN PHE 6 2.419 -7.587 3.514
39 HA PHE 6 HA PHE 6 3.139 -5.061 4.319
40 HB2 PHE 6 HB2 PHE 6 4.431 -7.270 3.090
41 HB3 PHE 6 HB1 PHE 6 4.894 -5.826 2.189
42 HD1 PHE 6 HD1 PHE 6 6.330 -4.175 3.139
43 HD2 PHE 6 HD2 PHE 6 4.749 -7.328 5.589
44 HE1 PHE 6 HE1 PHE 6 7.865 -3.518 4.974
45 HE2 PHE 6 HE2 PHE 6 6.282 -6.671 7.424
46 HZ PHE 6 HZ PHE 6 7.840 -4.766 7.117
47 H SER 7 HN SER 7 2.521 -6.123 0.974
48 HA SER 7 HA SER 7 2.727 -3.398 -0.015
49 HB2 SER 7 HB2 SER 7 3.570 -5.159 -1.438
50 HB3 SER 7 HB1 SER 7 2.030 -6.013 -1.368
51 HG SER 7 HG SER 7 1.110 -4.465 -2.597
52 H CYS 8 HN CYS 8 0.400 -5.063 1.602
53 HA CYS 8 HA CYS 8 -1.890 -4.115 0.066
54 HB2 CYS 8 HB2 CYS 8 -1.722 -6.345 1.386
55 HB3 CYS 8 HB1 CYS 8 -2.038 -5.347 2.805
56 HG CYS 8 HG CYS 8 -4.077 -6.042 0.626
57 H LEU 9 HN LEU 9 -0.287 -3.461 3.160
58 HA LEU 9 HA LEU 9 -2.171 -1.448 3.963
59 HB2 LEU 9 HB2 LEU 9 -0.577 -0.980 5.759
60 HB3 LEU 9 HB1 LEU 9 -0.816 -2.720 5.594
61 HG LEU 9 HG LEU 9 1.264 -2.208 3.837
62 HD11 LEU 9 HD11 LEU 9 1.822 -0.685 6.393
63 HD12 LEU 9 HD12 LEU 9 1.341 0.108 4.892
64 HD13 LEU 9 HD13 LEU 9 2.849 -0.804 4.964
65 HD21 LEU 9 HD21 LEU 9 2.664 -3.225 5.704
66 HD22 LEU 9 HD22 LEU 9 1.210 -4.129 5.282
67 HD23 LEU 9 HD23 LEU 9 1.231 -3.118 6.727
68 H LEU 10 HN LEU 10 0.607 -1.529 1.920
69 HA LEU 10 HA LEU 10 1.178 1.303 2.103
70 HB2 LEU 10 HB2 LEU 10 2.131 -0.843 0.194
71 HB3 LEU 10 HB1 LEU 10 2.713 0.819 0.184
72 HG LEU 10 HG LEU 10 2.862 -1.039 2.578
73 HD11 LEU 10 HD11 LEU 10 5.346 -0.973 2.040
74 HD12 LEU 10 HD12 LEU 10 4.905 -0.279 0.479
75 HD13 LEU 10 HD13 LEU 10 4.354 -1.898 0.912
76 HD21 LEU 10 HD21 LEU 10 3.603 1.815 2.065
77 HD22 LEU 10 HD22 LEU 10 4.694 0.857 3.063
78 HD23 LEU 10 HD23 LEU 10 3.010 1.056 3.542
79 H LEU 11 HN LEU 11 -0.974 -0.717 0.353
80 HA LEU 11 HA LEU 11 -1.323 1.076 -1.890
81 HB2 LEU 11 HB2 LEU 11 -1.694 -1.467 -1.885
82 HB3 LEU 11 HB1 LEU 11 -3.219 -1.119 -1.070
83 HG LEU 11 HG LEU 11 -3.387 0.668 -3.080
84 HD11 LEU 11 HD11 LEU 11 -2.517 -0.289 -5.141
85 HD12 LEU 11 HD12 LEU 11 -1.900 -1.692 -4.269
86 HD13 LEU 11 HD13 LEU 11 -1.186 -0.103 -4.000
87 HD21 LEU 11 HD21 LEU 11 -4.086 -2.282 -3.162
88 HD22 LEU 11 HD22 LEU 11 -4.726 -1.089 -4.291
89 HD23 LEU 11 HD23 LEU 11 -5.105 -0.970 -2.573
90 H LEU 12 HN LEU 12 -2.711 0.615 1.266
91 HA LEU 12 HA LEU 12 -5.121 2.103 0.751
92 HB2 LEU 12 HB2 LEU 12 -3.773 1.032 3.215
93 HB3 LEU 12 HB1 LEU 12 -5.138 2.141 3.348
94 HG LEU 12 HG LEU 12 -5.459 -0.125 1.450
95 HD11 LEU 12 HD11 LEU 12 -4.463 -1.380 3.219
96 HD12 LEU 12 HD12 LEU 12 -6.203 -1.559 3.436
97 HD13 LEU 12 HD13 LEU 12 -5.298 -0.438 4.454
98 HD21 LEU 12 HD21 LEU 12 -7.165 1.694 2.053
99 HD22 LEU 12 HD22 LEU 12 -7.300 0.900 3.621
100 HD23 LEU 12 HD23 LEU 12 -7.736 0.028 2.151
101 H THR 13 HN THR 13 -1.860 2.898 1.416
102 HA THR 13 HA THR 13 -2.548 5.575 2.409
103 HB THR 13 HB THR 13 -0.048 5.784 2.667
104 HG1 THR 13 HG1 THR 13 0.346 4.100 1.072
105 HG21 THR 13 HG21 THR 13 -1.353 5.184 4.594
106 HG22 THR 13 HG22 THR 13 0.042 4.107 4.563
107 HG23 THR 13 HG23 THR 13 -1.533 3.524 4.025
108 H DSN 14 HN DSE 14 -1.469 3.912 -0.431
109 HA DSN 14 HA DSE 14 -1.405 6.481 -1.871
110 HB2 DSN 14 HB1 DSE 14 -1.430 3.806 -3.224
111 HB3 DSN 14 HB2 DSE 14 -2.097 5.339 -3.776
112 HG DSN 14 HG DSE 14 -3.705 5.177 -2.216
113 H GLU 15 HN GLU 15 0.634 4.062 -0.661
114 HA GLU 15 HA GLU 15 2.980 5.293 -1.686
115 HB2 GLU 15 HB2 GLU 15 2.314 3.131 0.140
116 HB3 GLU 15 HB1 GLU 15 3.713 2.736 -0.858
117 HG2 GLU 15 HG2 GLU 15 3.419 5.363 0.618
118 HG3 GLU 15 HG1 GLU 15 4.252 3.965 1.293
119 H ILE 16 HN ILE 16 1.917 1.919 -2.181
120 HA ILE 16 HA ILE 16 3.496 1.692 -4.583
121 HB ILE 16 HB ILE 16 1.443 -0.182 -3.387
122 HG12 ILE 16 HG12 ILE 16 4.471 -0.293 -3.292
123 HG13 ILE 16 HG11 ILE 16 3.481 0.363 -1.987
124 HG21 ILE 16 HG21 ILE 16 1.646 -1.255 -5.365
125 HG22 ILE 16 HG22 ILE 16 3.306 -1.613 -4.890
126 HG23 ILE 16 HG23 ILE 16 2.959 -0.197 -5.882
127 HD11 ILE 16 HD11 ILE 16 3.438 -2.464 -3.066
128 HD12 ILE 16 HD12 ILE 16 2.246 -1.833 -1.931
129 HD13 ILE 16 HD13 ILE 16 3.941 -1.946 -1.457
130 H ASP 17 HN ASP 17 2.034 3.762 -5.181
131 HA ASP 17 HA ASP 17 -0.037 2.737 -7.028
132 HB2 ASP 17 HB2 ASP 17 -1.423 3.848 -5.571
133 HB3 ASP 17 HB1 ASP 17 -0.169 4.976 -5.064
134 H LEU 18 HN LEU 18 2.793 4.555 -6.536
135 HA LEU 18 HA LEU 18 2.483 6.034 -9.047
136 HB2 LEU 18 HB2 LEU 18 5.023 6.319 -7.593
137 HB3 LEU 18 HB1 LEU 18 3.935 7.551 -8.225
138 HG LEU 18 HG LEU 18 3.508 5.971 -5.668
139 HD11 LEU 18 HD11 LEU 18 4.464 8.760 -6.279
140 HD12 LEU 18 HD12 LEU 18 5.182 7.557 -5.206
141 HD13 LEU 18 HD13 LEU 18 3.692 8.376 -4.740
142 HD21 LEU 18 HD21 LEU 18 1.336 6.506 -6.026
143 HD22 LEU 18 HD22 LEU 18 1.744 7.572 -7.370
144 HD23 LEU 18 HD23 LEU 18 1.815 8.175 -5.715
145 HA PRO 19 HA PRO 19 6.226 3.289 -10.010
146 HB2 PRO 19 HB2 PRO 19 6.937 1.290 -8.327
147 HB3 PRO 19 HB1 PRO 19 7.466 2.965 -8.087
148 HG2 PRO 19 HG2 PRO 19 5.415 1.409 -6.643
149 HG3 PRO 19 HG1 PRO 19 6.447 2.729 -6.074
150 HD2 PRO 19 HD2 PRO 19 3.733 2.931 -6.856
151 HD3 PRO 19 HD1 PRO 19 4.842 4.276 -6.531
152 H VAL 20 HN VAL 20 3.175 2.509 -9.657
153 HA VAL 20 HA VAL 20 3.375 -0.294 -10.537
154 HB VAL 20 HB VAL 20 0.945 1.326 -9.732
155 HG11 VAL 20 HG11 VAL 20 0.474 -1.434 -9.503
156 HG12 VAL 20 HG12 VAL 20 1.292 -1.237 -11.054
157 HG13 VAL 20 HG13 VAL 20 -0.195 -0.349 -10.722
158 HG21 VAL 20 HG21 VAL 20 2.830 -0.492 -8.262
159 HG22 VAL 20 HG22 VAL 20 1.129 -0.465 -7.798
160 HG23 VAL 20 HG23 VAL 20 2.086 1.014 -7.722
161 H LYS 21 HN LYS 21 4.235 1.725 -12.323
162 HA LYS 21 HA LYS 21 2.677 1.057 -14.623
163 HB2 LYS 21 HB2 LYS 21 1.466 3.035 -13.322
164 HB3 LYS 21 HB1 LYS 21 2.678 4.004 -14.160
165 HG2 LYS 21 HG2 LYS 21 1.980 2.881 -16.307
166 HG3 LYS 21 HG1 LYS 21 0.653 2.133 -15.416
167 HD2 LYS 21 HD2 LYS 21 -0.523 3.997 -15.934
168 HD3 LYS 21 HD1 LYS 21 0.443 4.791 -14.689
169 HE2 LYS 21 HE2 LYS 21 2.182 5.229 -16.507
170 HE3 LYS 21 HE1 LYS 21 0.953 4.729 -17.670
171 HZ1 LYS 21 HZ1 LYS 21 -0.389 6.514 -17.153
172 HZ2 LYS 21 HZ2 LYS 21 1.160 7.204 -17.058
173 HZ3 LYS 21 HZ3 LYS 21 0.332 6.770 -15.639
174 H ARG 22 HN ARG 22 5.144 3.029 -13.096
175 HA ARG 22 HA ARG 22 6.443 3.948 -15.433
176 HB2 ARG 22 HB2 ARG 22 7.503 3.423 -12.647
177 HB3 ARG 22 HB1 ARG 22 8.416 4.239 -13.917
178 HG2 ARG 22 HG2 ARG 22 6.597 5.931 -14.097
179 HG3 ARG 22 HG1 ARG 22 5.766 5.145 -12.754
180 HD2 ARG 22 HD2 ARG 22 6.940 6.677 -11.524
181 HD3 ARG 22 HD1 ARG 22 8.200 5.451 -11.637
182 HE ARG 22 HE ARG 22 8.271 7.267 -13.858
183 HH11 ARG 22 HH11 ARG 22 10.008 8.730 -13.912
184 HH12 ARG 22 HH12 ARG 22 10.935 9.019 -12.478
185 HH21 ARG 22 HH21 ARG 22 9.091 6.828 -10.524
186 HH22 ARG 22 HH22 ARG 22 10.415 7.942 -10.560
187 H ARG 23 HN ARG 23 7.066 1.118 -13.359
188 HA ARG 23 HA ARG 23 8.343 -0.196 -15.663
189 HB2 ARG 23 HB2 ARG 23 9.529 0.206 -12.924
190 HB3 ARG 23 HB1 ARG 23 10.026 -1.139 -13.952
191 HG2 ARG 23 HG2 ARG 23 10.854 0.306 -15.637
192 HG3 ARG 23 HG1 ARG 23 9.997 1.700 -14.977
193 HD2 ARG 23 HD2 ARG 23 12.131 0.251 -13.409
194 HD3 ARG 23 HD1 ARG 23 12.521 1.569 -14.510
195 HE ARG 23 HE ARG 23 10.446 2.226 -12.604
196 HH11 ARG 23 HH11 ARG 23 10.998 3.805 -11.068
197 HH12 ARG 23 HH12 ARG 23 12.659 4.244 -10.844
198 HH21 ARG 23 HH21 ARG 23 13.840 2.040 -13.247
199 HH22 ARG 23 HH22 ARG 23 14.269 3.244 -12.078
200 H ALA 24 HN ALA 24 8.007 -1.068 -12.233
201 HA ALA 24 HA ALA 24 5.780 -2.795 -12.590
202 HB1 ALA 24 HB1 ALA 24 7.935 -4.620 -11.960
203 HB2 ALA 24 HB2 ALA 24 8.194 -3.868 -13.534
204 HB3 ALA 24 HB3 ALA 24 6.698 -4.744 -13.212
Start of MODEL 5
1 H MET 1 HN MET 1 3.973 -9.423 -9.476
2 HA MET 1 HA MET 1 3.393 -7.228 -8.925
3 HB2 MET 1 HB2 MET 1 0.794 -8.745 -8.597
4 HB3 MET 1 HB1 MET 1 0.920 -6.993 -8.763
5 HG2 MET 1 HG2 MET 1 1.845 -7.184 -10.969
6 HG3 MET 1 HG1 MET 1 2.066 -8.924 -10.793
7 HE1 MET 1 HE1 MET 1 0.776 -10.241 -12.272
8 HE2 MET 1 HE2 MET 1 -0.947 -10.494 -12.006
9 HE3 MET 1 HE3 MET 1 0.178 -10.665 -10.661
10 H ALA 2 HN ALA 2 4.744 -7.853 -6.821
11 HA ALA 2 HA ALA 2 5.031 -7.529 -4.567
12 HB1 ALA 2 HB1 ALA 2 3.150 -5.550 -5.492
13 HB2 ALA 2 HB2 ALA 2 4.376 -5.412 -4.231
14 HB3 ALA 2 HB3 ALA 2 2.768 -6.016 -3.834
15 HA PRO 3 HA PRO 3 2.604 -10.470 -2.378
16 HB2 PRO 3 HB2 PRO 3 2.651 -9.519 0.195
17 HB3 PRO 3 HB1 PRO 3 4.039 -10.293 -0.593
18 HG2 PRO 3 HG2 PRO 3 3.481 -7.406 -0.148
19 HG3 PRO 3 HG1 PRO 3 5.015 -8.290 -0.063
20 HD2 PRO 3 HD2 PRO 3 4.297 -6.747 -2.211
21 HD3 PRO 3 HD1 PRO 3 5.377 -8.153 -2.339
22 H ARG 4 HN ARG 4 0.896 -10.304 -0.263
23 HA ARG 4 HA ARG 4 -1.224 -8.440 -1.156
24 HB2 ARG 4 HB2 ARG 4 -1.419 -11.337 -0.329
25 HB3 ARG 4 HB1 ARG 4 -2.818 -10.263 -0.376
26 HG2 ARG 4 HG2 ARG 4 -2.822 -10.139 -2.670
27 HG3 ARG 4 HG1 ARG 4 -1.069 -10.301 -2.786
28 HD2 ARG 4 HD2 ARG 4 -2.879 -12.575 -1.950
29 HD3 ARG 4 HD1 ARG 4 -2.401 -12.298 -3.622
30 HE ARG 4 HE ARG 4 -0.016 -12.354 -2.348
31 HH11 ARG 4 HH11 ARG 4 1.161 -14.243 -1.897
32 HH12 ARG 4 HH12 ARG 4 0.330 -15.751 -1.711
33 HH21 ARG 4 HH21 ARG 4 -2.812 -14.391 -2.262
34 HH22 ARG 4 HH22 ARG 4 -1.919 -15.835 -1.917
35 H GLY 5 HN GLY 5 0.738 -7.984 0.912
36 HA2 GLY 5 HA2 GLY 5 -1.097 -7.436 3.110
37 HA3 GLY 5 HA1 GLY 5 0.267 -8.482 3.493
38 H PHE 6 HN PHE 6 2.439 -7.630 3.115
39 HA PHE 6 HA PHE 6 2.958 -5.214 4.317
40 HB2 PHE 6 HB2 PHE 6 4.464 -7.176 2.864
41 HB3 PHE 6 HB1 PHE 6 4.992 -5.564 2.378
42 HD1 PHE 6 HD1 PHE 6 5.462 -3.852 4.267
43 HD2 PHE 6 HD2 PHE 6 5.185 -8.090 4.907
44 HE1 PHE 6 HE1 PHE 6 6.696 -3.610 6.404
45 HE2 PHE 6 HE2 PHE 6 6.419 -7.849 7.044
46 HZ PHE 6 HZ PHE 6 7.175 -5.608 7.792
47 H SER 7 HN SER 7 2.714 -5.834 0.818
48 HA SER 7 HA SER 7 2.935 -3.003 0.211
49 HB2 SER 7 HB2 SER 7 3.940 -4.531 -1.355
50 HB3 SER 7 HB1 SER 7 2.438 -5.439 -1.511
51 HG SER 7 HG SER 7 2.161 -4.109 -3.133
52 H CYS 8 HN CYS 8 0.487 -5.022 1.246
53 HA CYS 8 HA CYS 8 -1.668 -3.877 -0.312
54 HB2 CYS 8 HB2 CYS 8 -1.423 -6.227 0.998
55 HB3 CYS 8 HB1 CYS 8 -2.271 -5.284 2.223
56 HG CYS 8 HG CYS 8 -3.922 -4.696 0.014
57 H LEU 9 HN LEU 9 -0.487 -3.636 3.035
58 HA LEU 9 HA LEU 9 -2.451 -1.736 3.853
59 HB2 LEU 9 HB2 LEU 9 -1.058 -1.452 5.838
60 HB3 LEU 9 HB1 LEU 9 -1.206 -3.165 5.446
61 HG LEU 9 HG LEU 9 1.007 -2.379 3.977
62 HD11 LEU 9 HD11 LEU 9 2.415 -1.066 5.400
63 HD12 LEU 9 HD12 LEU 9 1.273 -1.173 6.740
64 HD13 LEU 9 HD13 LEU 9 0.875 -0.208 5.317
65 HD21 LEU 9 HD21 LEU 9 0.735 -3.639 6.717
66 HD22 LEU 9 HD22 LEU 9 2.264 -3.571 5.844
67 HD23 LEU 9 HD23 LEU 9 0.901 -4.463 5.167
68 H LEU 10 HN LEU 10 0.508 -1.510 2.092
69 HA LEU 10 HA LEU 10 0.929 1.307 2.643
70 HB2 LEU 10 HB2 LEU 10 2.198 -0.585 0.650
71 HB3 LEU 10 HB1 LEU 10 2.690 1.090 0.877
72 HG LEU 10 HG LEU 10 2.672 -1.006 3.069
73 HD11 LEU 10 HD11 LEU 10 5.292 -0.108 2.491
74 HD12 LEU 10 HD12 LEU 10 4.550 -0.501 0.941
75 HD13 LEU 10 HD13 LEU 10 4.626 -1.718 2.215
76 HD21 LEU 10 HD21 LEU 10 3.306 1.916 2.942
77 HD22 LEU 10 HD22 LEU 10 4.334 0.905 3.954
78 HD23 LEU 10 HD23 LEU 10 2.598 0.976 4.255
79 H LEU 11 HN LEU 11 -1.038 -0.538 0.589
80 HA LEU 11 HA LEU 11 -1.165 1.350 -1.595
81 HB2 LEU 11 HB2 LEU 11 -1.625 -1.161 -1.739
82 HB3 LEU 11 HB1 LEU 11 -3.176 -0.811 -0.975
83 HG LEU 11 HG LEU 11 -3.249 1.065 -2.889
84 HD11 LEU 11 HD11 LEU 11 -2.266 0.235 -4.959
85 HD12 LEU 11 HD12 LEU 11 -1.664 -1.203 -4.134
86 HD13 LEU 11 HD13 LEU 11 -0.998 0.382 -3.742
87 HD21 LEU 11 HD21 LEU 11 -3.916 -1.880 -3.176
88 HD22 LEU 11 HD22 LEU 11 -4.490 -0.636 -4.286
89 HD23 LEU 11 HD23 LEU 11 -4.981 -0.601 -2.593
90 H LEU 12 HN LEU 12 -2.820 0.809 1.423
91 HA LEU 12 HA LEU 12 -5.165 2.321 0.859
92 HB2 LEU 12 HB2 LEU 12 -3.836 1.256 3.307
93 HB3 LEU 12 HB1 LEU 12 -5.043 2.526 3.508
94 HG LEU 12 HG LEU 12 -5.671 0.197 1.726
95 HD11 LEU 12 HD11 LEU 12 -5.131 -1.132 3.536
96 HD12 LEU 12 HD12 LEU 12 -6.771 -0.676 3.997
97 HD13 LEU 12 HD13 LEU 12 -5.390 0.166 4.702
98 HD21 LEU 12 HD21 LEU 12 -7.859 0.877 2.046
99 HD22 LEU 12 HD22 LEU 12 -7.045 2.423 2.278
100 HD23 LEU 12 HD23 LEU 12 -7.547 1.472 3.676
101 H THR 13 HN THR 13 -1.920 3.194 1.444
102 HA THR 13 HA THR 13 -2.647 5.917 2.288
103 HB THR 13 HB THR 13 -0.589 6.066 3.251
104 HG1 THR 13 HG1 THR 13 0.647 4.270 1.500
105 HG21 THR 13 HG21 THR 13 0.172 3.939 4.123
106 HG22 THR 13 HG22 THR 13 -0.610 3.071 2.803
107 HG23 THR 13 HG23 THR 13 -1.587 3.894 4.019
108 H DSN 14 HN DSE 14 -1.368 4.088 -0.387
109 HA DSN 14 HA DSE 14 -1.359 6.548 -2.011
110 HB2 DSN 14 HB1 DSE 14 -1.306 3.733 -3.079
111 HB3 DSN 14 HB2 DSE 14 -1.839 5.205 -3.887
112 HG DSN 14 HG DSE 14 -3.097 4.220 -1.564
113 H GLU 15 HN GLU 15 0.654 4.017 -0.779
114 HA GLU 15 HA GLU 15 3.016 5.351 -1.769
115 HB2 GLU 15 HB2 GLU 15 2.372 3.314 0.229
116 HB3 GLU 15 HB1 GLU 15 3.863 2.976 -0.650
117 HG2 GLU 15 HG2 GLU 15 3.259 5.689 0.540
118 HG3 GLU 15 HG1 GLU 15 4.101 4.429 1.438
119 H ILE 16 HN ILE 16 1.993 1.928 -1.964
120 HA ILE 16 HA ILE 16 3.606 1.601 -4.378
121 HB ILE 16 HB ILE 16 1.902 -0.500 -3.042
122 HG12 ILE 16 HG12 ILE 16 3.273 0.390 -1.276
123 HG13 ILE 16 HG11 ILE 16 4.048 -1.095 -1.826
124 HG21 ILE 16 HG21 ILE 16 4.534 -1.136 -4.204
125 HG22 ILE 16 HG22 ILE 16 3.356 -0.535 -5.369
126 HG23 ILE 16 HG23 ILE 16 2.987 -1.961 -4.400
127 HD11 ILE 16 HD11 ILE 16 4.851 1.759 -2.397
128 HD12 ILE 16 HD12 ILE 16 5.419 0.425 -3.402
129 HD13 ILE 16 HD13 ILE 16 5.820 0.470 -1.685
130 H ASP 17 HN ASP 17 1.812 3.302 -5.173
131 HA ASP 17 HA ASP 17 -0.381 1.764 -6.431
132 HB2 ASP 17 HB2 ASP 17 -1.538 3.432 -5.391
133 HB3 ASP 17 HB1 ASP 17 -0.161 4.531 -5.380
134 H LEU 18 HN LEU 18 2.571 3.300 -6.998
135 HA LEU 18 HA LEU 18 1.963 3.758 -9.842
136 HB2 LEU 18 HB2 LEU 18 4.638 4.509 -8.866
137 HB3 LEU 18 HB1 LEU 18 3.504 5.409 -9.865
138 HG LEU 18 HG LEU 18 3.193 5.048 -6.864
139 HD11 LEU 18 HD11 LEU 18 5.176 6.369 -7.332
140 HD12 LEU 18 HD12 LEU 18 3.887 7.433 -6.767
141 HD13 LEU 18 HD13 LEU 18 4.280 7.359 -8.485
142 HD21 LEU 18 HD21 LEU 18 1.135 5.482 -8.321
143 HD22 LEU 18 HD22 LEU 18 1.870 7.030 -8.734
144 HD23 LEU 18 HD23 LEU 18 1.441 6.676 -7.060
145 HA PRO 19 HA PRO 19 5.703 0.803 -9.915
146 HB2 PRO 19 HB2 PRO 19 6.166 -0.589 -7.531
147 HB3 PRO 19 HB1 PRO 19 7.083 0.801 -8.126
148 HG2 PRO 19 HG2 PRO 19 5.305 0.656 -5.887
149 HG3 PRO 19 HG1 PRO 19 6.304 2.010 -6.423
150 HD2 PRO 19 HD2 PRO 19 3.433 1.633 -6.740
151 HD3 PRO 19 HD1 PRO 19 4.408 3.076 -7.064
152 H VAL 20 HN VAL 20 2.632 0.301 -9.354
153 HA VAL 20 HA VAL 20 2.710 -2.633 -9.218
154 HB VAL 20 HB VAL 20 0.113 -2.209 -9.277
155 HG11 VAL 20 HG11 VAL 20 1.360 -3.101 -7.354
156 HG12 VAL 20 HG12 VAL 20 0.158 -1.925 -6.818
157 HG13 VAL 20 HG13 VAL 20 1.859 -1.468 -6.912
158 HG21 VAL 20 HG21 VAL 20 -0.629 -0.075 -8.834
159 HG22 VAL 20 HG22 VAL 20 0.840 0.345 -9.715
160 HG23 VAL 20 HG23 VAL 20 0.834 0.360 -7.952
161 H LYS 21 HN LYS 21 3.625 -1.039 -11.540
162 HA LYS 21 HA LYS 21 1.895 -2.303 -13.567
163 HB2 LYS 21 HB2 LYS 21 1.558 0.242 -13.307
164 HB3 LYS 21 HB1 LYS 21 3.161 0.389 -14.025
165 HG2 LYS 21 HG2 LYS 21 2.416 -0.914 -15.979
166 HG3 LYS 21 HG1 LYS 21 0.812 -1.074 -15.264
167 HD2 LYS 21 HD2 LYS 21 0.209 0.953 -16.033
168 HD3 LYS 21 HD1 LYS 21 1.614 1.701 -15.273
169 HE2 LYS 21 HE2 LYS 21 1.686 2.056 -17.699
170 HE3 LYS 21 HE1 LYS 21 3.009 1.000 -17.203
171 HZ1 LYS 21 HZ1 LYS 21 1.120 0.463 -19.113
172 HZ2 LYS 21 HZ2 LYS 21 0.643 -0.476 -17.780
173 HZ3 LYS 21 HZ3 LYS 21 2.205 -0.647 -18.428
174 H ARG 22 HN ARG 22 5.052 -1.078 -12.624
175 HA ARG 22 HA ARG 22 6.295 -2.342 -14.968
176 HB2 ARG 22 HB2 ARG 22 7.701 -0.758 -12.819
177 HB3 ARG 22 HB1 ARG 22 8.239 -1.081 -14.467
178 HG2 ARG 22 HG2 ARG 22 6.054 0.167 -15.164
179 HG3 ARG 22 HG1 ARG 22 6.094 0.804 -13.519
180 HD2 ARG 22 HD2 ARG 22 8.274 1.055 -15.608
181 HD3 ARG 22 HD1 ARG 22 7.259 2.353 -14.986
182 HE ARG 22 HE ARG 22 8.475 1.330 -12.752
183 HH11 ARG 22 HH11 ARG 22 10.456 2.113 -11.966
184 HH12 ARG 22 HH12 ARG 22 11.564 2.890 -13.047
185 HH21 ARG 22 HH21 ARG 22 9.524 2.524 -15.827
186 HH22 ARG 22 HH22 ARG 22 11.037 3.123 -15.232
187 H ARG 23 HN ARG 23 8.819 -2.801 -13.726
188 HA ARG 23 HA ARG 23 9.934 -4.605 -12.825
189 HB2 ARG 23 HB2 ARG 23 7.898 -4.278 -10.610
190 HB3 ARG 23 HB1 ARG 23 9.512 -4.977 -10.477
191 HG2 ARG 23 HG2 ARG 23 10.381 -2.709 -11.325
192 HG3 ARG 23 HG1 ARG 23 8.763 -2.094 -10.980
193 HD2 ARG 23 HD2 ARG 23 9.034 -3.066 -8.640
194 HD3 ARG 23 HD1 ARG 23 10.732 -3.311 -9.034
195 HE ARG 23 HE ARG 23 10.131 -0.647 -9.625
196 HH11 ARG 23 HH11 ARG 23 10.621 0.986 -8.124
197 HH12 ARG 23 HH12 ARG 23 10.809 0.588 -6.449
198 HH21 ARG 23 HH21 ARG 23 10.194 -2.793 -6.911
199 HH22 ARG 23 HH22 ARG 23 10.567 -1.552 -5.763
200 H ALA 24 HN ALA 24 8.515 -6.446 -10.887
201 HA ALA 24 HA ALA 24 7.599 -8.551 -10.997
202 HB1 ALA 24 HB1 ALA 24 5.508 -7.387 -11.159
203 HB2 ALA 24 HB2 ALA 24 5.470 -8.691 -12.345
204 HB3 ALA 24 HB3 ALA 24 5.772 -7.033 -12.866
Start of MODEL 6
1 H MET 1 HN MET 1 4.302 -8.932 -8.458
2 HA MET 1 HA MET 1 2.329 -8.955 -6.713
3 HB2 MET 1 HB2 MET 1 4.263 -11.267 -6.989
4 HB3 MET 1 HB1 MET 1 2.634 -11.385 -6.322
5 HG2 MET 1 HG2 MET 1 3.161 -10.261 -9.078
6 HG3 MET 1 HG1 MET 1 2.891 -11.982 -8.803
7 HE1 MET 1 HE1 MET 1 -0.311 -10.119 -10.367
8 HE2 MET 1 HE2 MET 1 1.291 -10.744 -10.753
9 HE3 MET 1 HE3 MET 1 1.116 -9.096 -10.153
10 H ALA 2 HN ALA 2 1.913 -9.479 -4.518
11 HA ALA 2 HA ALA 2 4.213 -9.475 -2.693
12 HB1 ALA 2 HB1 ALA 2 2.540 -7.204 -3.167
13 HB2 ALA 2 HB2 ALA 2 3.867 -7.368 -2.016
14 HB3 ALA 2 HB3 ALA 2 2.224 -7.801 -1.537
15 HA PRO 3 HA PRO 3 1.779 -12.322 -0.392
16 HB2 PRO 3 HB2 PRO 3 2.370 -11.693 2.206
17 HB3 PRO 3 HB1 PRO 3 3.515 -12.490 1.114
18 HG2 PRO 3 HG2 PRO 3 3.349 -9.631 1.922
19 HG3 PRO 3 HG1 PRO 3 4.773 -10.657 1.682
20 HD2 PRO 3 HD2 PRO 3 3.917 -8.838 -0.179
21 HD3 PRO 3 HD1 PRO 3 4.802 -10.320 -0.601
22 H ARG 4 HN ARG 4 0.391 -9.899 -1.204
23 HA ARG 4 HA ARG 4 -1.449 -8.585 -0.693
24 HB2 ARG 4 HB2 ARG 4 -2.120 -11.330 0.360
25 HB3 ARG 4 HB1 ARG 4 -3.296 -10.015 0.362
26 HG2 ARG 4 HG2 ARG 4 -2.973 -9.734 -2.077
27 HG3 ARG 4 HG1 ARG 4 -1.831 -11.078 -2.072
28 HD2 ARG 4 HD2 ARG 4 -3.643 -12.371 -2.495
29 HD3 ARG 4 HD1 ARG 4 -3.994 -12.174 -0.781
30 HE ARG 4 HE ARG 4 -5.757 -10.769 -1.356
31 HH11 ARG 4 HH11 ARG 4 -7.120 -9.743 -2.856
32 HH12 ARG 4 HH12 ARG 4 -6.637 -9.623 -4.515
33 HH21 ARG 4 HH21 ARG 4 -3.622 -11.266 -4.034
34 HH22 ARG 4 HH22 ARG 4 -4.657 -10.484 -5.182
35 H GLY 5 HN GLY 5 0.600 -8.107 1.135
36 HA2 GLY 5 HA2 GLY 5 -0.968 -7.296 3.464
37 HA3 GLY 5 HA1 GLY 5 0.420 -8.336 3.775
38 H PHE 6 HN PHE 6 2.540 -7.570 3.025
39 HA PHE 6 HA PHE 6 3.259 -5.097 3.967
40 HB2 PHE 6 HB2 PHE 6 4.517 -7.185 2.487
41 HB3 PHE 6 HB1 PHE 6 4.952 -5.648 1.742
42 HD1 PHE 6 HD1 PHE 6 6.238 -3.974 2.945
43 HD2 PHE 6 HD2 PHE 6 5.064 -7.643 4.845
44 HE1 PHE 6 HE1 PHE 6 7.814 -3.515 4.804
45 HE2 PHE 6 HE2 PHE 6 6.640 -7.184 6.704
46 HZ PHE 6 HZ PHE 6 8.014 -5.121 6.684
47 H SER 7 HN SER 7 2.494 -5.921 0.585
48 HA SER 7 HA SER 7 2.641 -3.127 -0.208
49 HB2 SER 7 HB2 SER 7 3.364 -5.080 -1.668
50 HB3 SER 7 HB1 SER 7 1.653 -5.452 -1.864
51 HG SER 7 HG SER 7 1.375 -3.644 -2.991
52 H CYS 8 HN CYS 8 0.373 -5.006 1.313
53 HA CYS 8 HA CYS 8 -1.974 -3.939 -0.032
54 HB2 CYS 8 HB2 CYS 8 -3.099 -5.586 1.021
55 HB3 CYS 8 HB1 CYS 8 -1.506 -6.222 1.428
56 HG CYS 8 HG CYS 8 -2.266 -4.183 3.492
57 H LEU 9 HN LEU 9 -0.265 -3.511 3.044
58 HA LEU 9 HA LEU 9 -2.140 -1.591 4.065
59 HB2 LEU 9 HB2 LEU 9 -0.506 -1.254 5.848
60 HB3 LEU 9 HB1 LEU 9 -0.719 -2.979 5.544
61 HG LEU 9 HG LEU 9 1.300 -2.290 3.781
62 HD11 LEU 9 HD11 LEU 9 1.910 -0.949 6.426
63 HD12 LEU 9 HD12 LEU 9 1.356 -0.056 5.011
64 HD13 LEU 9 HD13 LEU 9 2.886 -0.932 4.958
65 HD21 LEU 9 HD21 LEU 9 1.370 -3.410 6.596
66 HD22 LEU 9 HD22 LEU 9 2.774 -3.410 5.528
67 HD23 LEU 9 HD23 LEU 9 1.326 -4.312 5.081
68 H LEU 10 HN LEU 10 0.555 -1.475 1.922
69 HA LEU 10 HA LEU 10 1.092 1.346 2.318
70 HB2 LEU 10 HB2 LEU 10 2.051 -0.632 0.238
71 HB3 LEU 10 HB1 LEU 10 2.596 1.041 0.336
72 HG LEU 10 HG LEU 10 2.840 -0.981 2.586
73 HD11 LEU 10 HD11 LEU 10 5.258 -0.962 2.023
74 HD12 LEU 10 HD12 LEU 10 4.906 0.048 0.620
75 HD13 LEU 10 HD13 LEU 10 4.278 -1.598 0.702
76 HD21 LEU 10 HD21 LEU 10 3.508 1.919 2.267
77 HD22 LEU 10 HD22 LEU 10 4.635 0.915 3.177
78 HD23 LEU 10 HD23 LEU 10 2.955 1.046 3.694
79 H LEU 11 HN LEU 11 -1.040 -0.592 0.441
80 HA LEU 11 HA LEU 11 -1.461 1.295 -1.686
81 HB2 LEU 11 HB2 LEU 11 -2.268 -1.369 -1.076
82 HB3 LEU 11 HB1 LEU 11 -3.723 -0.412 -1.350
83 HG LEU 11 HG LEU 11 -1.330 -0.483 -3.212
84 HD11 LEU 11 HD11 LEU 11 -2.523 -2.634 -3.192
85 HD12 LEU 11 HD12 LEU 11 -2.832 -1.775 -4.701
86 HD13 LEU 11 HD13 LEU 11 -4.056 -1.797 -3.433
87 HD21 LEU 11 HD21 LEU 11 -2.282 1.310 -4.190
88 HD22 LEU 11 HD22 LEU 11 -3.517 1.334 -2.931
89 HD23 LEU 11 HD23 LEU 11 -3.780 0.405 -4.406
90 H LEU 12 HN LEU 12 -2.891 0.669 1.459
91 HA LEU 12 HA LEU 12 -5.209 2.300 1.090
92 HB2 LEU 12 HB2 LEU 12 -3.804 1.172 3.505
93 HB3 LEU 12 HB1 LEU 12 -5.186 2.256 3.667
94 HG LEU 12 HG LEU 12 -5.512 0.024 1.739
95 HD11 LEU 12 HD11 LEU 12 -4.407 -1.225 3.468
96 HD12 LEU 12 HD12 LEU 12 -6.136 -1.504 3.672
97 HD13 LEU 12 HD13 LEU 12 -5.294 -0.375 4.732
98 HD21 LEU 12 HD21 LEU 12 -7.769 0.037 2.681
99 HD22 LEU 12 HD22 LEU 12 -7.285 1.691 2.308
100 HD23 LEU 12 HD23 LEU 12 -7.250 1.116 3.975
101 H THR 13 HN THR 13 -2.238 3.294 0.738
102 HA THR 13 HA THR 13 -2.774 5.925 1.942
103 HB THR 13 HB THR 13 -0.782 6.052 3.078
104 HG1 THR 13 HG1 THR 13 0.370 3.945 1.617
105 HG21 THR 13 HG21 THR 13 -1.102 3.043 2.961
106 HG22 THR 13 HG22 THR 13 -2.118 4.104 3.938
107 HG23 THR 13 HG23 THR 13 -0.391 3.986 4.272
108 H DSN 14 HN DSE 14 -1.725 4.008 -0.656
109 HA DSN 14 HA DSE 14 -1.268 6.387 -2.278
110 HB2 DSN 14 HB1 DSE 14 -0.969 3.670 -3.441
111 HB3 DSN 14 HB2 DSE 14 -1.798 5.085 -4.082
112 HG DSN 14 HG DSE 14 -3.549 4.648 -2.921
113 H GLU 15 HN GLU 15 0.594 4.306 -0.432
114 HA GLU 15 HA GLU 15 3.049 5.434 -1.225
115 HB2 GLU 15 HB2 GLU 15 2.148 3.327 0.609
116 HB3 GLU 15 HB1 GLU 15 3.756 3.047 -0.060
117 HG2 GLU 15 HG2 GLU 15 2.940 5.712 1.108
118 HG3 GLU 15 HG1 GLU 15 3.654 4.435 2.090
119 H ILE 16 HN ILE 16 1.568 2.290 -1.976
120 HA ILE 16 HA ILE 16 3.555 1.946 -4.142
121 HB ILE 16 HB ILE 16 1.953 -0.167 -2.677
122 HG12 ILE 16 HG12 ILE 16 3.998 1.115 -1.568
123 HG13 ILE 16 HG11 ILE 16 3.844 -0.632 -1.410
124 HG21 ILE 16 HG21 ILE 16 3.687 -1.647 -3.916
125 HG22 ILE 16 HG22 ILE 16 3.914 -0.249 -4.968
126 HG23 ILE 16 HG23 ILE 16 2.331 -1.014 -4.844
127 HD11 ILE 16 HD11 ILE 16 5.383 0.588 -3.704
128 HD12 ILE 16 HD12 ILE 16 5.493 -1.045 -3.050
129 HD13 ILE 16 HD13 ILE 16 6.143 0.315 -2.139
130 H ASP 17 HN ASP 17 2.140 3.379 -5.404
131 HA ASP 17 HA ASP 17 -0.343 2.086 -6.331
132 HB2 ASP 17 HB2 ASP 17 0.118 4.687 -5.605
133 HB3 ASP 17 HB1 ASP 17 0.302 4.765 -7.355
134 H LEU 18 HN LEU 18 2.312 1.171 -7.079
135 HA LEU 18 HA LEU 18 2.539 1.979 -9.889
136 HB2 LEU 18 HB2 LEU 18 4.419 -0.044 -8.866
137 HB3 LEU 18 HB1 LEU 18 4.728 1.424 -9.785
138 HG LEU 18 HG LEU 18 4.086 1.336 -6.815
139 HD11 LEU 18 HD11 LEU 18 6.277 0.408 -7.219
140 HD12 LEU 18 HD12 LEU 18 6.476 2.048 -6.599
141 HD13 LEU 18 HD13 LEU 18 6.680 1.726 -8.321
142 HD21 LEU 18 HD21 LEU 18 4.506 3.527 -8.821
143 HD22 LEU 18 HD22 LEU 18 5.138 3.759 -7.193
144 HD23 LEU 18 HD23 LEU 18 3.416 3.474 -7.437
145 HA PRO 19 HA PRO 19 1.761 -2.704 -10.224
146 HB2 PRO 19 HB2 PRO 19 0.652 -3.955 -8.013
147 HB3 PRO 19 HB1 PRO 19 2.375 -3.946 -8.421
148 HG2 PRO 19 HG2 PRO 19 0.982 -2.569 -6.284
149 HG3 PRO 19 HG1 PRO 19 2.715 -2.839 -6.508
150 HD2 PRO 19 HD2 PRO 19 1.230 -0.420 -6.965
151 HD3 PRO 19 HD1 PRO 19 2.969 -0.689 -7.177
152 H VAL 20 HN VAL 20 -0.224 -0.291 -9.329
153 HA VAL 20 HA VAL 20 -2.763 -1.694 -9.468
154 HB VAL 20 HB VAL 20 -3.739 0.552 -9.274
155 HG11 VAL 20 HG11 VAL 20 -1.399 0.278 -7.375
156 HG12 VAL 20 HG12 VAL 20 -2.849 -0.718 -7.266
157 HG13 VAL 20 HG13 VAL 20 -2.961 1.029 -7.049
158 HG21 VAL 20 HG21 VAL 20 -0.860 1.373 -9.664
159 HG22 VAL 20 HG22 VAL 20 -2.030 2.442 -8.890
160 HG23 VAL 20 HG23 VAL 20 -2.280 1.919 -10.556
161 H LYS 21 HN LYS 21 -0.833 -1.791 -11.722
162 HA LYS 21 HA LYS 21 -2.721 -1.011 -13.826
163 HB2 LYS 21 HB2 LYS 21 -0.818 0.752 -13.375
164 HB3 LYS 21 HB1 LYS 21 0.181 -0.402 -14.258
165 HG2 LYS 21 HG2 LYS 21 -1.430 -0.353 -16.136
166 HG3 LYS 21 HG1 LYS 21 -2.409 0.822 -15.258
167 HD2 LYS 21 HD2 LYS 21 -0.465 2.374 -15.217
168 HD3 LYS 21 HD1 LYS 21 0.456 1.213 -16.174
169 HE2 LYS 21 HE2 LYS 21 -2.217 2.273 -17.099
170 HE3 LYS 21 HE1 LYS 21 -0.706 3.105 -17.469
171 HZ1 LYS 21 HZ1 LYS 21 -0.177 1.591 -18.992
172 HZ2 LYS 21 HZ2 LYS 21 -1.788 1.063 -18.898
173 HZ3 LYS 21 HZ3 LYS 21 -0.583 0.289 -17.984
174 H ARG 22 HN ARG 22 -0.407 -3.108 -12.498
175 HA ARG 22 HA ARG 22 0.276 -5.217 -13.109
176 HB2 ARG 22 HB2 ARG 22 -2.191 -5.153 -14.070
177 HB3 ARG 22 HB1 ARG 22 -1.344 -5.139 -15.617
178 HG2 ARG 22 HG2 ARG 22 -0.051 -7.147 -14.877
179 HG3 ARG 22 HG1 ARG 22 -1.029 -7.193 -13.410
180 HD2 ARG 22 HD2 ARG 22 -3.028 -7.625 -14.639
181 HD3 ARG 22 HD1 ARG 22 -2.256 -7.227 -16.171
182 HE ARG 22 HE ARG 22 -1.376 -9.378 -16.227
183 HH11 ARG 22 HH11 ARG 22 -1.125 -11.485 -15.417
184 HH12 ARG 22 HH12 ARG 22 -1.558 -11.833 -13.777
185 HH21 ARG 22 HH21 ARG 22 -2.560 -8.589 -13.074
186 HH22 ARG 22 HH22 ARG 22 -2.370 -10.194 -12.450
187 H ARG 23 HN ARG 23 1.832 -3.009 -13.834
188 HA ARG 23 HA ARG 23 2.795 -3.659 -16.545
189 HB2 ARG 23 HB2 ARG 23 2.243 -1.265 -15.941
190 HB3 ARG 23 HB1 ARG 23 3.602 -1.314 -14.818
191 HG2 ARG 23 HG2 ARG 23 4.879 -0.689 -16.577
192 HG3 ARG 23 HG1 ARG 23 4.686 -2.346 -17.150
193 HD2 ARG 23 HD2 ARG 23 2.528 -1.573 -18.262
194 HD3 ARG 23 HD1 ARG 23 3.038 0.075 -17.902
195 HE ARG 23 HE ARG 23 5.197 -1.028 -19.182
196 HH11 ARG 23 HH11 ARG 23 5.470 -0.924 -21.434
197 HH12 ARG 23 HH12 ARG 23 4.087 -0.748 -22.462
198 HH21 ARG 23 HH21 ARG 23 1.816 -0.699 -19.842
199 HH22 ARG 23 HH22 ARG 23 2.018 -0.619 -21.561
200 H ALA 24 HN ALA 24 3.685 -3.612 -13.161
201 HA ALA 24 HA ALA 24 6.479 -4.154 -13.622
202 HB1 ALA 24 HB1 ALA 24 6.530 -3.423 -11.504
203 HB2 ALA 24 HB2 ALA 24 5.805 -4.953 -11.013
204 HB3 ALA 24 HB3 ALA 24 4.778 -3.563 -11.365
Start of MODEL 7
1 H MET 1 HN MET 1 4.538 -11.168 -8.285
2 HA MET 1 HA MET 1 1.799 -10.130 -8.111
3 HB2 MET 1 HB2 MET 1 2.205 -12.720 -6.737
4 HB3 MET 1 HB1 MET 1 0.780 -12.089 -7.562
5 HG2 MET 1 HG2 MET 1 3.252 -13.276 -8.851
6 HG3 MET 1 HG1 MET 1 1.622 -13.951 -8.858
7 HE1 MET 1 HE1 MET 1 1.369 -14.261 -11.252
8 HE2 MET 1 HE2 MET 1 3.031 -13.759 -11.554
9 HE3 MET 1 HE3 MET 1 1.724 -13.086 -12.525
10 H ALA 2 HN ALA 2 1.458 -9.057 -6.256
11 HA ALA 2 HA ALA 2 3.609 -9.041 -4.271
12 HB1 ALA 2 HB1 ALA 2 1.717 -7.114 -5.280
13 HB2 ALA 2 HB2 ALA 2 3.135 -6.849 -4.265
14 HB3 ALA 2 HB3 ALA 2 1.579 -7.230 -3.526
15 HA PRO 3 HA PRO 3 1.409 -11.307 -1.213
16 HB2 PRO 3 HB2 PRO 3 1.922 -9.898 1.086
17 HB3 PRO 3 HB1 PRO 3 3.119 -10.924 0.274
18 HG2 PRO 3 HG2 PRO 3 2.804 -7.969 0.212
19 HG3 PRO 3 HG1 PRO 3 4.279 -8.949 0.245
20 HD2 PRO 3 HD2 PRO 3 3.314 -7.780 -2.038
21 HD3 PRO 3 HD1 PRO 3 4.275 -9.275 -2.041
22 H ARG 4 HN ARG 4 0.073 -10.612 1.052
23 HA ARG 4 HA ARG 4 -2.062 -8.780 0.128
24 HB2 ARG 4 HB2 ARG 4 -2.427 -11.420 0.319
25 HB3 ARG 4 HB1 ARG 4 -2.711 -10.996 2.008
26 HG2 ARG 4 HG2 ARG 4 -4.241 -9.121 1.024
27 HG3 ARG 4 HG1 ARG 4 -4.224 -10.110 -0.437
28 HD2 ARG 4 HD2 ARG 4 -5.283 -10.809 2.294
29 HD3 ARG 4 HD1 ARG 4 -6.099 -10.913 0.737
30 HE ARG 4 HE ARG 4 -3.837 -12.642 0.790
31 HH11 ARG 4 HH11 ARG 4 -4.228 -14.871 0.997
32 HH12 ARG 4 HH12 ARG 4 -5.757 -15.424 1.594
33 HH21 ARG 4 HH21 ARG 4 -7.053 -12.234 2.002
34 HH22 ARG 4 HH22 ARG 4 -7.356 -13.932 2.162
35 H GLY 5 HN GLY 5 0.258 -8.142 1.764
36 HA2 GLY 5 HA2 GLY 5 -1.163 -6.974 4.025
37 HA3 GLY 5 HA1 GLY 5 0.148 -8.077 4.434
38 H PHE 6 HN PHE 6 2.301 -7.575 3.572
39 HA PHE 6 HA PHE 6 3.221 -5.063 4.185
40 HB2 PHE 6 HB2 PHE 6 4.279 -7.408 2.886
41 HB3 PHE 6 HB1 PHE 6 4.879 -5.955 2.087
42 HD1 PHE 6 HD1 PHE 6 5.756 -4.046 3.629
43 HD2 PHE 6 HD2 PHE 6 5.250 -8.118 4.901
44 HE1 PHE 6 HE1 PHE 6 7.320 -3.652 5.514
45 HE2 PHE 6 HE2 PHE 6 6.814 -7.724 6.786
46 HZ PHE 6 HZ PHE 6 7.849 -5.491 7.093
47 H SER 7 HN SER 7 2.173 -6.247 1.005
48 HA SER 7 HA SER 7 2.574 -3.607 -0.177
49 HB2 SER 7 HB2 SER 7 1.682 -6.264 -1.299
50 HB3 SER 7 HB1 SER 7 1.688 -4.781 -2.247
51 HG SER 7 HG SER 7 3.810 -4.809 -2.286
52 H CYS 8 HN CYS 8 0.203 -5.131 1.595
53 HA CYS 8 HA CYS 8 -2.088 -4.042 0.181
54 HB2 CYS 8 HB2 CYS 8 -3.305 -5.457 1.450
55 HB3 CYS 8 HB1 CYS 8 -1.753 -6.161 1.903
56 HG CYS 8 HG CYS 8 -3.522 -4.938 3.865
57 H LEU 9 HN LEU 9 -0.168 -3.313 3.053
58 HA LEU 9 HA LEU 9 -1.897 -1.159 3.896
59 HB2 LEU 9 HB2 LEU 9 -0.193 -0.735 5.591
60 HB3 LEU 9 HB1 LEU 9 -0.548 -2.461 5.513
61 HG LEU 9 HG LEU 9 1.466 -2.176 3.645
62 HD11 LEU 9 HD11 LEU 9 2.256 -0.543 6.068
63 HD12 LEU 9 HD12 LEU 9 1.729 0.192 4.554
64 HD13 LEU 9 HD13 LEU 9 3.186 -0.801 4.592
65 HD21 LEU 9 HD21 LEU 9 1.523 -2.912 6.582
66 HD22 LEU 9 HD22 LEU 9 2.903 -3.153 5.511
67 HD23 LEU 9 HD23 LEU 9 1.389 -4.002 5.202
68 H LEU 10 HN LEU 10 0.741 -1.533 1.710
69 HA LEU 10 HA LEU 10 1.503 1.263 1.725
70 HB2 LEU 10 HB2 LEU 10 2.246 -1.039 -0.094
71 HB3 LEU 10 HB1 LEU 10 2.926 0.581 -0.221
72 HG LEU 10 HG LEU 10 3.056 -1.139 2.274
73 HD11 LEU 10 HD11 LEU 10 5.423 -1.473 1.692
74 HD12 LEU 10 HD12 LEU 10 5.192 -0.557 0.203
75 HD13 LEU 10 HD13 LEU 10 4.376 -2.105 0.423
76 HD21 LEU 10 HD21 LEU 10 5.027 0.646 2.576
77 HD22 LEU 10 HD22 LEU 10 3.380 0.997 3.094
78 HD23 LEU 10 HD23 LEU 10 3.970 1.617 1.554
79 H LEU 11 HN LEU 11 -0.731 -0.796 0.067
80 HA LEU 11 HA LEU 11 -1.153 1.055 -2.135
81 HB2 LEU 11 HB2 LEU 11 -1.352 -1.499 -2.270
82 HB3 LEU 11 HB1 LEU 11 -2.887 -1.308 -1.422
83 HG LEU 11 HG LEU 11 -3.078 0.606 -3.395
84 HD11 LEU 11 HD11 LEU 11 -2.352 -0.398 -5.475
85 HD12 LEU 11 HD12 LEU 11 -1.819 -1.856 -4.637
86 HD13 LEU 11 HD13 LEU 11 -0.962 -0.334 -4.390
87 HD21 LEU 11 HD21 LEU 11 -4.621 -1.015 -4.476
88 HD22 LEU 11 HD22 LEU 11 -4.828 -0.985 -2.725
89 HD23 LEU 11 HD23 LEU 11 -3.939 -2.305 -3.484
90 H LEU 12 HN LEU 12 -2.347 0.534 1.040
91 HA LEU 12 HA LEU 12 -4.969 1.596 0.724
92 HB2 LEU 12 HB2 LEU 12 -3.237 0.752 2.920
93 HB3 LEU 12 HB1 LEU 12 -4.225 2.152 3.336
94 HG LEU 12 HG LEU 12 -5.378 -0.313 2.014
95 HD11 LEU 12 HD11 LEU 12 -5.057 0.348 4.953
96 HD12 LEU 12 HD12 LEU 12 -4.468 -1.082 4.105
97 HD13 LEU 12 HD13 LEU 12 -6.199 -0.854 4.351
98 HD21 LEU 12 HD21 LEU 12 -6.394 2.243 2.466
99 HD22 LEU 12 HD22 LEU 12 -7.040 1.296 3.806
100 HD23 LEU 12 HD23 LEU 12 -7.349 0.796 2.143
101 H THR 13 HN THR 13 -2.199 3.086 2.414
102 HA THR 13 HA THR 13 -3.233 5.688 2.438
103 HB THR 13 HB THR 13 -1.033 6.403 3.058
104 HG1 THR 13 HG1 THR 13 0.757 5.089 2.659
105 HG21 THR 13 HG21 THR 13 -2.360 4.550 4.437
106 HG22 THR 13 HG22 THR 13 -0.762 5.096 4.941
107 HG23 THR 13 HG23 THR 13 -0.936 3.587 4.047
108 H DSN 14 HN DSE 14 -0.869 4.224 0.208
109 HA DSN 14 HA DSE 14 -1.364 6.438 -1.682
110 HB2 DSN 14 HB1 DSE 14 -2.380 3.902 -2.023
111 HB3 DSN 14 HB2 DSE 14 -0.878 3.840 -2.940
112 HG DSN 14 HG DSE 14 -3.140 5.403 -3.342
113 H GLU 15 HN GLU 15 0.747 3.813 -0.623
114 HA GLU 15 HA GLU 15 3.080 5.406 -1.234
115 HB2 GLU 15 HB2 GLU 15 2.522 2.856 0.185
116 HB3 GLU 15 HB1 GLU 15 4.131 3.044 -0.511
117 HG2 GLU 15 HG2 GLU 15 2.928 5.278 1.102
118 HG3 GLU 15 HG1 GLU 15 3.685 3.914 1.920
119 H ILE 16 HN ILE 16 1.908 2.186 -2.256
120 HA ILE 16 HA ILE 16 3.583 2.445 -4.680
121 HB ILE 16 HB ILE 16 2.407 -0.063 -3.461
122 HG12 ILE 16 HG12 ILE 16 5.295 0.852 -3.470
123 HG13 ILE 16 HG11 ILE 16 4.211 1.126 -2.106
124 HG21 ILE 16 HG21 ILE 16 4.170 -1.090 -5.015
125 HG22 ILE 16 HG22 ILE 16 4.264 0.495 -5.783
126 HG23 ILE 16 HG23 ILE 16 2.747 -0.405 -5.799
127 HD11 ILE 16 HD11 ILE 16 5.674 -1.000 -2.048
128 HD12 ILE 16 HD12 ILE 16 4.581 -1.626 -3.281
129 HD13 ILE 16 HD13 ILE 16 3.957 -1.185 -1.693
130 H ASP 17 HN ASP 17 1.818 3.864 -5.474
131 HA ASP 17 HA ASP 17 -0.421 2.277 -6.587
132 HB2 ASP 17 HB2 ASP 17 -1.413 4.724 -6.766
133 HB3 ASP 17 HB1 ASP 17 -1.550 3.785 -5.285
134 H LEU 18 HN LEU 18 2.438 3.402 -7.430
135 HA LEU 18 HA LEU 18 1.638 4.678 -9.940
136 HB2 LEU 18 HB2 LEU 18 4.509 4.231 -9.502
137 HB3 LEU 18 HB1 LEU 18 3.645 5.699 -9.948
138 HG LEU 18 HG LEU 18 3.806 4.527 -7.152
139 HD11 LEU 18 HD11 LEU 18 5.484 6.351 -8.648
140 HD12 LEU 18 HD12 LEU 18 5.728 5.675 -7.038
141 HD13 LEU 18 HD13 LEU 18 4.786 7.151 -7.240
142 HD21 LEU 18 HD21 LEU 18 1.885 5.690 -6.855
143 HD22 LEU 18 HD22 LEU 18 2.029 6.478 -8.424
144 HD23 LEU 18 HD23 LEU 18 2.873 7.140 -7.023
145 HA PRO 19 HA PRO 19 3.840 0.816 -11.577
146 HB2 PRO 19 HB2 PRO 19 4.577 -1.178 -9.908
147 HB3 PRO 19 HB1 PRO 19 5.576 0.269 -10.148
148 HG2 PRO 19 HG2 PRO 19 3.840 -0.472 -7.873
149 HG3 PRO 19 HG1 PRO 19 5.345 0.458 -7.892
150 HD2 PRO 19 HD2 PRO 19 2.736 1.523 -7.753
151 HD3 PRO 19 HD1 PRO 19 4.222 2.432 -8.088
152 H VAL 20 HN VAL 20 1.316 0.654 -9.286
153 HA VAL 20 HA VAL 20 0.319 -1.935 -10.216
154 HB VAL 20 HB VAL 20 -1.171 -0.133 -8.338
155 HG11 VAL 20 HG11 VAL 20 -2.007 -2.195 -7.482
156 HG12 VAL 20 HG12 VAL 20 -0.731 -3.124 -8.269
157 HG13 VAL 20 HG13 VAL 20 -2.008 -2.385 -9.235
158 HG21 VAL 20 HG21 VAL 20 1.342 -1.720 -7.774
159 HG22 VAL 20 HG22 VAL 20 0.185 -1.316 -6.506
160 HG23 VAL 20 HG23 VAL 20 1.015 -0.032 -7.386
161 H LYS 21 HN LYS 21 0.484 0.334 -12.057
162 HA LYS 21 HA LYS 21 -2.336 0.364 -12.881
163 HB2 LYS 21 HB2 LYS 21 -1.613 2.508 -11.600
164 HB3 LYS 21 HB1 LYS 21 -0.711 2.886 -13.067
165 HG2 LYS 21 HG2 LYS 21 -2.690 3.839 -13.704
166 HG3 LYS 21 HG1 LYS 21 -3.092 2.181 -14.154
167 HD2 LYS 21 HD2 LYS 21 -3.976 1.894 -11.775
168 HD3 LYS 21 HD1 LYS 21 -3.840 3.645 -11.616
169 HE2 LYS 21 HE2 LYS 21 -5.220 3.772 -13.789
170 HE3 LYS 21 HE1 LYS 21 -5.592 2.071 -13.505
171 HZ1 LYS 21 HZ1 LYS 21 -7.303 3.256 -12.475
172 HZ2 LYS 21 HZ2 LYS 21 -6.242 4.398 -11.800
173 HZ3 LYS 21 HZ3 LYS 21 -6.279 2.808 -11.201
174 H ARG 22 HN ARG 22 0.845 1.673 -13.853
175 HA ARG 22 HA ARG 22 0.818 0.087 -16.281
176 HB2 ARG 22 HB2 ARG 22 -0.559 2.293 -16.622
177 HB3 ARG 22 HB1 ARG 22 1.034 3.050 -16.689
178 HG2 ARG 22 HG2 ARG 22 0.819 2.508 -18.915
179 HG3 ARG 22 HG1 ARG 22 1.504 0.989 -18.338
180 HD2 ARG 22 HD2 ARG 22 -0.841 0.145 -17.995
181 HD3 ARG 22 HD1 ARG 22 -1.427 1.611 -18.776
182 HE ARG 22 HE ARG 22 0.467 0.405 -20.474
183 HH11 ARG 22 HH11 ARG 22 -0.262 -0.834 -22.232
184 HH12 ARG 22 HH12 ARG 22 -1.868 -1.483 -22.221
185 HH21 ARG 22 HH21 ARG 22 -2.671 -0.149 -19.123
186 HH22 ARG 22 HH22 ARG 22 -3.231 -1.094 -20.461
187 H ARG 23 HN ARG 23 2.847 -0.117 -17.200
188 HA ARG 23 HA ARG 23 5.043 1.572 -16.353
189 HB2 ARG 23 HB2 ARG 23 4.606 -0.269 -14.547
190 HB3 ARG 23 HB1 ARG 23 5.354 -1.346 -15.727
191 HG2 ARG 23 HG2 ARG 23 7.160 0.616 -15.826
192 HG3 ARG 23 HG1 ARG 23 6.560 0.918 -14.195
193 HD2 ARG 23 HD2 ARG 23 6.955 -1.486 -13.651
194 HD3 ARG 23 HD1 ARG 23 7.662 -1.701 -15.250
195 HE ARG 23 HE ARG 23 9.565 -0.555 -14.520
196 HH11 ARG 23 HH11 ARG 23 10.849 0.339 -12.874
197 HH12 ARG 23 HH12 ARG 23 10.135 0.738 -11.347
198 HH21 ARG 23 HH21 ARG 23 6.959 -0.313 -12.256
199 HH22 ARG 23 HH22 ARG 23 7.933 0.369 -10.997
200 H ALA 24 HN ALA 24 4.380 -1.674 -17.694
201 HA ALA 24 HA ALA 24 5.848 -0.892 -20.123
202 HB1 ALA 24 HB1 ALA 24 7.570 -2.201 -19.507
203 HB2 ALA 24 HB2 ALA 24 6.493 -3.569 -19.789
204 HB3 ALA 24 HB3 ALA 24 6.660 -2.897 -18.167
Start of MODEL 8
1 H MET 1 HN MET 1 1.092 -9.476 -5.896
2 HA MET 1 HA MET 1 -0.028 -11.881 -5.618
3 HB2 MET 1 HB2 MET 1 2.773 -12.474 -6.588
4 HB3 MET 1 HB1 MET 1 1.506 -13.634 -6.189
5 HG2 MET 1 HG2 MET 1 0.305 -11.967 -8.068
6 HG3 MET 1 HG1 MET 1 1.950 -12.160 -8.671
7 HE1 MET 1 HE1 MET 1 -1.472 -13.509 -8.269
8 HE2 MET 1 HE2 MET 1 -1.393 -14.819 -9.443
9 HE3 MET 1 HE3 MET 1 -0.921 -13.190 -9.919
10 H ALA 2 HN ALA 2 0.667 -9.831 -3.957
11 HA ALA 2 HA ALA 2 2.888 -10.702 -2.277
12 HB1 ALA 2 HB1 ALA 2 3.000 -8.506 -1.851
13 HB2 ALA 2 HB2 ALA 2 1.436 -8.604 -1.043
14 HB3 ALA 2 HB3 ALA 2 1.516 -8.232 -2.765
15 HA PRO 3 HA PRO 3 0.458 -12.846 0.692
16 HB2 PRO 3 HB2 PRO 3 1.557 -12.069 3.078
17 HB3 PRO 3 HB1 PRO 3 2.366 -13.164 1.943
18 HG2 PRO 3 HG2 PRO 3 2.793 -10.255 2.394
19 HG3 PRO 3 HG1 PRO 3 3.976 -11.537 2.078
20 HD2 PRO 3 HD2 PRO 3 3.122 -9.786 0.152
21 HD3 PRO 3 HD1 PRO 3 3.677 -11.436 -0.208
22 H ARG 4 HN ARG 4 -0.648 -10.305 -0.202
23 HA ARG 4 HA ARG 4 -2.154 -8.654 0.408
24 HB2 ARG 4 HB2 ARG 4 -3.061 -11.147 1.836
25 HB3 ARG 4 HB1 ARG 4 -3.996 -9.653 1.905
26 HG2 ARG 4 HG2 ARG 4 -4.523 -9.712 -0.350
27 HG3 ARG 4 HG1 ARG 4 -3.076 -10.629 -0.771
28 HD2 ARG 4 HD2 ARG 4 -5.412 -11.828 -0.779
29 HD3 ARG 4 HD1 ARG 4 -4.007 -12.662 -0.121
30 HE ARG 4 HE ARG 4 -5.053 -12.615 1.941
31 HH11 ARG 4 HH11 ARG 4 -6.644 -11.956 3.422
32 HH12 ARG 4 HH12 ARG 4 -7.721 -10.663 3.010
33 HH21 ARG 4 HH21 ARG 4 -6.324 -10.143 -0.121
34 HH22 ARG 4 HH22 ARG 4 -7.540 -9.636 1.004
35 H GLY 5 HN GLY 5 0.070 -8.046 1.726
36 HA2 GLY 5 HA2 GLY 5 -0.931 -6.946 4.223
37 HA3 GLY 5 HA1 GLY 5 0.407 -8.079 4.395
38 H PHE 6 HN PHE 6 2.409 -7.589 3.231
39 HA PHE 6 HA PHE 6 3.449 -5.098 3.733
40 HB2 PHE 6 HB2 PHE 6 4.308 -7.451 2.385
41 HB3 PHE 6 HB1 PHE 6 4.698 -6.072 1.355
42 HD1 PHE 6 HD1 PHE 6 5.358 -7.746 4.544
43 HD2 PHE 6 HD2 PHE 6 6.139 -4.242 2.187
44 HE1 PHE 6 HE1 PHE 6 7.253 -7.166 6.035
45 HE2 PHE 6 HE2 PHE 6 8.035 -3.661 3.677
46 HZ PHE 6 HZ PHE 6 8.592 -5.124 5.600
47 H SER 7 HN SER 7 2.028 -6.238 0.676
48 HA SER 7 HA SER 7 2.258 -3.590 -0.507
49 HB2 SER 7 HB2 SER 7 1.410 -6.291 -1.454
50 HB3 SER 7 HB1 SER 7 0.834 -4.879 -2.331
51 HG SER 7 HG SER 7 2.931 -4.278 -2.712
52 H CYS 8 HN CYS 8 0.118 -5.140 1.547
53 HA CYS 8 HA CYS 8 -2.337 -4.015 0.519
54 HB2 CYS 8 HB2 CYS 8 -1.914 -6.138 2.058
55 HB3 CYS 8 HB1 CYS 8 -2.090 -4.945 3.344
56 HG CYS 8 HG CYS 8 -4.418 -6.112 2.219
57 H LEU 9 HN LEU 9 -0.097 -3.304 3.185
58 HA LEU 9 HA LEU 9 -1.608 -1.096 4.189
59 HB2 LEU 9 HB2 LEU 9 0.383 -0.607 5.525
60 HB3 LEU 9 HB1 LEU 9 0.025 -2.333 5.570
61 HG LEU 9 HG LEU 9 1.660 -2.100 3.347
62 HD11 LEU 9 HD11 LEU 9 2.860 -0.417 5.561
63 HD12 LEU 9 HD12 LEU 9 2.101 0.277 4.128
64 HD13 LEU 9 HD13 LEU 9 3.538 -0.731 3.964
65 HD21 LEU 9 HD21 LEU 9 2.276 -2.770 6.238
66 HD22 LEU 9 HD22 LEU 9 3.403 -3.071 4.916
67 HD23 LEU 9 HD23 LEU 9 1.843 -3.892 4.948
68 H LEU 10 HN LEU 10 0.719 -1.497 1.644
69 HA LEU 10 HA LEU 10 1.427 1.282 1.423
70 HB2 LEU 10 HB2 LEU 10 1.739 -1.046 -0.485
71 HB3 LEU 10 HB1 LEU 10 2.413 0.559 -0.757
72 HG LEU 10 HG LEU 10 3.007 -1.153 1.677
73 HD11 LEU 10 HD11 LEU 10 4.012 -1.311 -1.014
74 HD12 LEU 10 HD12 LEU 10 4.452 -2.288 0.386
75 HD13 LEU 10 HD13 LEU 10 5.305 -0.778 0.061
76 HD21 LEU 10 HD21 LEU 10 3.847 1.566 0.738
77 HD22 LEU 10 HD22 LEU 10 5.042 0.570 1.564
78 HD23 LEU 10 HD23 LEU 10 3.536 0.992 2.375
79 H LEU 11 HN LEU 11 -0.748 -0.923 -0.317
80 HA LEU 11 HA LEU 11 -1.671 0.975 -2.206
81 HB2 LEU 11 HB2 LEU 11 -2.376 -1.744 -1.363
82 HB3 LEU 11 HB1 LEU 11 -3.757 -0.795 -1.914
83 HG LEU 11 HG LEU 11 -2.588 -0.255 -3.999
84 HD11 LEU 11 HD11 LEU 11 -0.324 -1.429 -2.497
85 HD12 LEU 11 HD12 LEU 11 -0.321 -0.194 -3.757
86 HD13 LEU 11 HD13 LEU 11 -0.419 -1.900 -4.194
87 HD21 LEU 11 HD21 LEU 11 -3.508 -2.166 -4.758
88 HD22 LEU 11 HD22 LEU 11 -3.375 -2.892 -3.157
89 HD23 LEU 11 HD23 LEU 11 -2.038 -3.026 -4.300
90 H LEU 12 HN LEU 12 -2.316 0.548 1.130
91 HA LEU 12 HA LEU 12 -4.957 1.589 1.244
92 HB2 LEU 12 HB2 LEU 12 -2.858 0.841 3.122
93 HB3 LEU 12 HB1 LEU 12 -3.742 2.274 3.649
94 HG LEU 12 HG LEU 12 -5.117 -0.249 2.695
95 HD11 LEU 12 HD11 LEU 12 -4.040 0.524 5.383
96 HD12 LEU 12 HD12 LEU 12 -4.101 -1.063 4.617
97 HD13 LEU 12 HD13 LEU 12 -5.565 -0.358 5.304
98 HD21 LEU 12 HD21 LEU 12 -6.031 2.359 3.178
99 HD22 LEU 12 HD22 LEU 12 -6.486 1.454 4.621
100 HD23 LEU 12 HD23 LEU 12 -7.027 0.911 3.033
101 H THR 13 HN THR 13 -2.015 3.193 2.455
102 HA THR 13 HA THR 13 -3.141 5.787 2.364
103 HB THR 13 HB THR 13 -1.130 6.504 3.210
104 HG1 THR 13 HG1 THR 13 0.497 6.302 1.928
105 HG21 THR 13 HG21 THR 13 -0.520 3.576 3.525
106 HG22 THR 13 HG22 THR 13 -1.933 4.282 4.309
107 HG23 THR 13 HG23 THR 13 -0.319 4.881 4.694
108 H DSN 14 HN DSE 14 -1.216 3.928 0.072
109 HA DSN 14 HA DSE 14 -1.761 5.993 -1.965
110 HB2 DSN 14 HB1 DSE 14 -2.207 3.251 -2.000
111 HB3 DSN 14 HB2 DSE 14 -0.738 3.449 -2.951
112 HG DSN 14 HG DSE 14 -3.141 3.880 -3.780
113 H GLU 15 HN GLU 15 0.759 3.889 -0.647
114 HA GLU 15 HA GLU 15 2.791 5.831 -1.349
115 HB2 GLU 15 HB2 GLU 15 2.563 3.490 0.404
116 HB3 GLU 15 HB1 GLU 15 4.127 3.625 -0.399
117 HG2 GLU 15 HG2 GLU 15 2.829 5.971 0.991
118 HG3 GLU 15 HG1 GLU 15 3.887 4.848 1.841
119 H ILE 16 HN ILE 16 2.235 2.373 -2.066
120 HA ILE 16 HA ILE 16 3.956 2.674 -4.454
121 HB ILE 16 HB ILE 16 3.082 0.118 -3.093
122 HG12 ILE 16 HG12 ILE 16 4.467 1.347 -1.529
123 HG13 ILE 16 HG11 ILE 16 5.454 0.076 -2.243
124 HG21 ILE 16 HG21 ILE 16 5.083 -0.756 -4.396
125 HG22 ILE 16 HG22 ILE 16 5.086 0.781 -5.260
126 HG23 ILE 16 HG23 ILE 16 3.690 -0.292 -5.371
127 HD11 ILE 16 HD11 ILE 16 6.861 1.946 -2.374
128 HD12 ILE 16 HD12 ILE 16 5.532 3.039 -2.758
129 HD13 ILE 16 HD13 ILE 16 6.128 1.915 -3.977
130 H ASP 17 HN ASP 17 1.979 3.762 -5.369
131 HA ASP 17 HA ASP 17 0.141 1.741 -6.504
132 HB2 ASP 17 HB2 ASP 17 -1.346 3.884 -6.779
133 HB3 ASP 17 HB1 ASP 17 -1.300 3.025 -5.246
134 H LEU 18 HN LEU 18 2.747 3.409 -7.234
135 HA LEU 18 HA LEU 18 1.865 4.480 -9.810
136 HB2 LEU 18 HB2 LEU 18 4.741 4.551 -9.189
137 HB3 LEU 18 HB1 LEU 18 3.671 5.834 -9.746
138 HG LEU 18 HG LEU 18 3.833 4.780 -6.904
139 HD11 LEU 18 HD11 LEU 18 4.674 7.077 -6.442
140 HD12 LEU 18 HD12 LEU 18 4.719 7.376 -8.179
141 HD13 LEU 18 HD13 LEU 18 5.758 6.139 -7.469
142 HD21 LEU 18 HD21 LEU 18 1.860 6.399 -8.365
143 HD22 LEU 18 HD22 LEU 18 2.458 7.178 -6.900
144 HD23 LEU 18 HD23 LEU 18 1.713 5.585 -6.811
145 HA PRO 19 HA PRO 19 4.867 1.077 -11.205
146 HB2 PRO 19 HB2 PRO 19 5.652 -0.832 -9.417
147 HB3 PRO 19 HB1 PRO 19 6.517 0.696 -9.657
148 HG2 PRO 19 HG2 PRO 19 4.789 -0.158 -7.438
149 HG3 PRO 19 HG1 PRO 19 6.103 1.027 -7.462
150 HD2 PRO 19 HD2 PRO 19 3.320 1.573 -7.511
151 HD3 PRO 19 HD1 PRO 19 4.634 2.741 -7.742
152 H VAL 20 HN VAL 20 1.983 0.769 -9.681
153 HA VAL 20 HA VAL 20 1.336 -1.682 -11.147
154 HB VAL 20 HB VAL 20 0.485 -1.379 -8.267
155 HG11 VAL 20 HG11 VAL 20 0.753 -4.016 -9.570
156 HG12 VAL 20 HG12 VAL 20 -0.471 -2.968 -10.285
157 HG13 VAL 20 HG13 VAL 20 -0.555 -3.382 -8.573
158 HG21 VAL 20 HG21 VAL 20 2.867 -2.861 -9.426
159 HG22 VAL 20 HG22 VAL 20 2.243 -3.114 -7.796
160 HG23 VAL 20 HG23 VAL 20 2.911 -1.547 -8.249
161 H LYS 21 HN LYS 21 0.727 1.048 -11.660
162 HA LYS 21 HA LYS 21 -1.718 1.980 -10.738
163 HB2 LYS 21 HB2 LYS 21 -0.037 2.421 -13.104
164 HB3 LYS 21 HB1 LYS 21 -1.754 2.714 -13.386
165 HG2 LYS 21 HG2 LYS 21 -1.841 4.221 -11.454
166 HG3 LYS 21 HG1 LYS 21 -0.141 3.898 -11.107
167 HD2 LYS 21 HD2 LYS 21 0.525 4.879 -13.236
168 HD3 LYS 21 HD1 LYS 21 -1.163 5.103 -13.695
169 HE2 LYS 21 HE2 LYS 21 -1.469 6.599 -11.725
170 HE3 LYS 21 HE1 LYS 21 0.250 6.434 -11.365
171 HZ1 LYS 21 HZ1 LYS 21 -0.924 8.242 -13.084
172 HZ2 LYS 21 HZ2 LYS 21 -0.143 7.114 -14.088
173 HZ3 LYS 21 HZ3 LYS 21 0.734 7.944 -12.892
174 H ARG 22 HN ARG 22 -1.559 0.759 -14.050
175 HA ARG 22 HA ARG 22 -4.215 0.057 -14.289
176 HB2 ARG 22 HB2 ARG 22 -1.936 -0.170 -15.875
177 HB3 ARG 22 HB1 ARG 22 -2.511 -1.828 -15.700
178 HG2 ARG 22 HG2 ARG 22 -4.808 -1.032 -16.333
179 HG3 ARG 22 HG1 ARG 22 -4.114 0.555 -16.667
180 HD2 ARG 22 HD2 ARG 22 -4.298 -0.803 -18.728
181 HD3 ARG 22 HD1 ARG 22 -2.621 -0.426 -18.346
182 HE ARG 22 HE ARG 22 -3.087 -2.862 -17.146
183 HH11 ARG 22 HH11 ARG 22 -2.654 -4.826 -18.203
184 HH12 ARG 22 HH12 ARG 22 -2.633 -4.885 -19.934
185 HH21 ARG 22 HH21 ARG 22 -3.364 -1.519 -20.322
186 HH22 ARG 22 HH22 ARG 22 -3.035 -3.012 -21.134
187 H ARG 23 HN ARG 23 -5.328 -1.960 -14.219
188 HA ARG 23 HA ARG 23 -4.342 -3.711 -12.074
189 HB2 ARG 23 HB2 ARG 23 -6.569 -2.815 -11.730
190 HB3 ARG 23 HB1 ARG 23 -7.085 -3.397 -13.312
191 HG2 ARG 23 HG2 ARG 23 -7.216 -5.587 -12.619
192 HG3 ARG 23 HG1 ARG 23 -5.908 -5.404 -11.449
193 HD2 ARG 23 HD2 ARG 23 -8.602 -4.084 -11.083
194 HD3 ARG 23 HD1 ARG 23 -8.254 -5.700 -10.476
195 HE ARG 23 HE ARG 23 -6.217 -4.278 -9.435
196 HH11 ARG 23 HH11 ARG 23 -6.303 -3.089 -7.502
197 HH12 ARG 23 HH12 ARG 23 -7.816 -2.449 -6.952
198 HH21 ARG 23 HH21 ARG 23 -9.624 -3.705 -9.632
199 HH22 ARG 23 HH22 ARG 23 -9.696 -2.797 -8.158
200 H ALA 24 HN ALA 24 -3.173 -5.383 -12.783
201 HA ALA 24 HA ALA 24 -3.108 -6.441 -15.352
202 HB1 ALA 24 HB1 ALA 24 -2.092 -7.174 -12.734
203 HB2 ALA 24 HB2 ALA 24 -1.385 -7.449 -14.326
204 HB3 ALA 24 HB3 ALA 24 -2.550 -8.597 -13.668
Start of MODEL 9
1 H MET 1 HN MET 1 7.066 -9.809 -5.208
2 HA MET 1 HA MET 1 7.698 -8.426 -3.339
3 HB2 MET 1 HB2 MET 1 7.477 -6.260 -5.433
4 HB3 MET 1 HB1 MET 1 7.636 -5.916 -3.710
5 HG2 MET 1 HG2 MET 1 9.849 -5.881 -4.727
6 HG3 MET 1 HG1 MET 1 9.726 -7.293 -3.677
7 HE1 MET 1 HE1 MET 1 10.172 -9.546 -4.292
8 HE2 MET 1 HE2 MET 1 11.618 -8.618 -4.680
9 HE3 MET 1 HE3 MET 1 11.078 -9.889 -5.773
10 H ALA 2 HN ALA 2 5.578 -9.579 -3.035
11 HA ALA 2 HA ALA 2 3.599 -7.710 -2.162
12 HB1 ALA 2 HB1 ALA 2 1.828 -8.165 -3.640
13 HB2 ALA 2 HB2 ALA 2 2.672 -9.534 -4.365
14 HB3 ALA 2 HB3 ALA 2 3.220 -7.889 -4.685
15 HA PRO 3 HA PRO 3 3.496 -11.863 -0.167
16 HB2 PRO 3 HB2 PRO 3 4.113 -11.072 2.355
17 HB3 PRO 3 HB1 PRO 3 5.351 -11.365 1.120
18 HG2 PRO 3 HG2 PRO 3 4.304 -8.808 2.174
19 HG3 PRO 3 HG1 PRO 3 5.917 -9.209 1.564
20 HD2 PRO 3 HD2 PRO 3 3.888 -7.852 0.139
21 HD3 PRO 3 HD1 PRO 3 5.376 -8.534 -0.551
22 H ARG 4 HN ARG 4 1.315 -10.020 -0.779
23 HA ARG 4 HA ARG 4 -0.802 -9.406 -0.075
24 HB2 ARG 4 HB2 ARG 4 -0.431 -12.179 1.065
25 HB3 ARG 4 HB1 ARG 4 -1.979 -11.332 1.084
26 HG2 ARG 4 HG2 ARG 4 -0.553 -11.388 -1.522
27 HG3 ARG 4 HG1 ARG 4 -1.202 -12.928 -0.959
28 HD2 ARG 4 HD2 ARG 4 -3.419 -11.922 -0.683
29 HD3 ARG 4 HD1 ARG 4 -2.787 -10.354 -1.175
30 HE ARG 4 HE ARG 4 -3.443 -12.574 -2.914
31 HH11 ARG 4 HH11 ARG 4 -3.205 -12.167 -5.137
32 HH12 ARG 4 HH12 ARG 4 -2.319 -10.777 -5.667
33 HH21 ARG 4 HH21 ARG 4 -1.590 -9.688 -2.456
34 HH22 ARG 4 HH22 ARG 4 -1.404 -9.373 -4.150
35 H GLY 5 HN GLY 5 1.237 -8.334 1.582
36 HA2 GLY 5 HA2 GLY 5 -0.308 -7.979 4.045
37 HA3 GLY 5 HA1 GLY 5 1.357 -8.533 4.213
38 H PHE 6 HN PHE 6 2.902 -7.158 2.701
39 HA PHE 6 HA PHE 6 2.897 -4.516 3.754
40 HB2 PHE 6 HB2 PHE 6 4.577 -6.041 1.808
41 HB3 PHE 6 HB1 PHE 6 4.735 -4.286 1.866
42 HD1 PHE 6 HD1 PHE 6 4.543 -7.236 4.179
43 HD2 PHE 6 HD2 PHE 6 6.208 -3.347 3.423
44 HE1 PHE 6 HE1 PHE 6 5.930 -7.431 6.226
45 HE2 PHE 6 HE2 PHE 6 7.594 -3.544 5.468
46 HZ PHE 6 HZ PHE 6 7.455 -5.585 6.871
47 H SER 7 HN SER 7 2.836 -5.521 0.329
48 HA SER 7 HA SER 7 2.092 -3.090 -0.769
49 HB2 SER 7 HB2 SER 7 2.778 -4.947 -2.168
50 HB3 SER 7 HB1 SER 7 1.373 -5.886 -1.674
51 HG SER 7 HG SER 7 0.480 -4.967 -3.344
52 H CYS 8 HN CYS 8 0.306 -5.013 1.343
53 HA CYS 8 HA CYS 8 -2.320 -4.297 0.346
54 HB2 CYS 8 HB2 CYS 8 -1.466 -6.377 1.828
55 HB3 CYS 8 HB1 CYS 8 -1.999 -5.298 3.118
56 HG CYS 8 HG CYS 8 -4.384 -5.277 2.080
57 H LEU 9 HN LEU 9 -0.377 -3.487 3.234
58 HA LEU 9 HA LEU 9 -2.263 -1.425 4.009
59 HB2 LEU 9 HB2 LEU 9 -0.849 -1.095 5.929
60 HB3 LEU 9 HB1 LEU 9 -1.016 -2.831 5.670
61 HG LEU 9 HG LEU 9 1.179 -2.210 4.118
62 HD11 LEU 9 HD11 LEU 9 1.071 0.094 5.236
63 HD12 LEU 9 HD12 LEU 9 2.613 -0.753 5.354
64 HD13 LEU 9 HD13 LEU 9 1.515 -0.726 6.732
65 HD21 LEU 9 HD21 LEU 9 1.101 -3.071 7.027
66 HD22 LEU 9 HD22 LEU 9 2.461 -3.310 5.930
67 HD23 LEU 9 HD23 LEU 9 0.933 -4.137 5.633
68 H LEU 10 HN LEU 10 0.275 -1.601 1.823
69 HA LEU 10 HA LEU 10 1.132 1.170 2.188
70 HB2 LEU 10 HB2 LEU 10 1.980 -0.977 0.233
71 HB3 LEU 10 HB1 LEU 10 2.647 0.652 0.257
72 HG LEU 10 HG LEU 10 2.696 -1.262 2.610
73 HD11 LEU 10 HD11 LEU 10 5.205 -1.240 2.062
74 HD12 LEU 10 HD12 LEU 10 4.738 -0.586 0.490
75 HD13 LEU 10 HD13 LEU 10 4.168 -2.180 0.989
76 HD21 LEU 10 HD21 LEU 10 4.616 0.535 3.139
77 HD22 LEU 10 HD22 LEU 10 2.943 0.798 3.627
78 HD23 LEU 10 HD23 LEU 10 3.567 1.565 2.167
79 H LEU 11 HN LEU 11 -1.176 -0.626 0.429
80 HA LEU 11 HA LEU 11 -1.385 1.281 -1.760
81 HB2 LEU 11 HB2 LEU 11 -2.246 -1.411 -1.263
82 HB3 LEU 11 HB1 LEU 11 -3.645 -0.426 -1.689
83 HG LEU 11 HG LEU 11 -1.057 -0.488 -3.269
84 HD11 LEU 11 HD11 LEU 11 -1.824 -2.476 -4.031
85 HD12 LEU 11 HD12 LEU 11 -3.091 -1.549 -4.834
86 HD13 LEU 11 HD13 LEU 11 -3.390 -2.260 -3.248
87 HD21 LEU 11 HD21 LEU 11 -1.922 1.277 -4.372
88 HD22 LEU 11 HD22 LEU 11 -3.256 1.315 -3.219
89 HD23 LEU 11 HD23 LEU 11 -3.400 0.373 -4.703
90 H LEU 12 HN LEU 12 -2.735 0.775 1.371
91 HA LEU 12 HA LEU 12 -5.231 2.074 1.030
92 HB2 LEU 12 HB2 LEU 12 -3.500 1.329 3.337
93 HB3 LEU 12 HB1 LEU 12 -4.749 2.542 3.613
94 HG LEU 12 HG LEU 12 -5.454 0.020 2.145
95 HD11 LEU 12 HD11 LEU 12 -4.767 0.305 5.037
96 HD12 LEU 12 HD12 LEU 12 -4.607 -1.096 3.978
97 HD13 LEU 12 HD13 LEU 12 -6.187 -0.659 4.630
98 HD21 LEU 12 HD21 LEU 12 -7.152 1.360 4.206
99 HD22 LEU 12 HD22 LEU 12 -7.620 0.620 2.675
100 HD23 LEU 12 HD23 LEU 12 -6.885 2.223 2.690
101 H THR 13 HN THR 13 -1.985 3.238 1.731
102 HA THR 13 HA THR 13 -2.928 5.979 2.087
103 HB THR 13 HB THR 13 -0.837 6.450 2.948
104 HG1 THR 13 HG1 THR 13 0.984 5.688 2.102
105 HG21 THR 13 HG21 THR 13 -1.906 4.525 4.177
106 HG22 THR 13 HG22 THR 13 -0.152 4.607 4.348
107 HG23 THR 13 HG23 THR 13 -0.876 3.437 3.246
108 H DSN 14 HN DSE 14 -0.862 4.127 -0.135
109 HA DSN 14 HA DSE 14 -1.028 6.359 -2.067
110 HB2 DSN 14 HB1 DSE 14 -2.393 3.967 -2.326
111 HB3 DSN 14 HB2 DSE 14 -0.937 3.703 -3.282
112 HG DSN 14 HG DSE 14 -2.635 5.959 -3.498
113 H GLU 15 HN GLU 15 0.874 4.198 -0.339
114 HA GLU 15 HA GLU 15 3.315 5.172 -1.299
115 HB2 GLU 15 HB2 GLU 15 2.436 2.977 0.467
116 HB3 GLU 15 HB1 GLU 15 4.013 2.742 -0.288
117 HG2 GLU 15 HG2 GLU 15 3.288 5.353 1.038
118 HG3 GLU 15 HG1 GLU 15 3.941 4.007 1.968
119 H ILE 16 HN ILE 16 1.649 2.108 -2.034
120 HA ILE 16 HA ILE 16 3.500 1.709 -4.294
121 HB ILE 16 HB ILE 16 1.597 -0.252 -2.988
122 HG12 ILE 16 HG12 ILE 16 3.788 0.653 -1.782
123 HG13 ILE 16 HG11 ILE 16 3.380 -1.060 -1.739
124 HG21 ILE 16 HG21 ILE 16 3.121 -1.874 -4.319
125 HG22 ILE 16 HG22 ILE 16 3.572 -0.452 -5.261
126 HG23 ILE 16 HG23 ILE 16 1.893 -0.984 -5.216
127 HD11 ILE 16 HD11 ILE 16 5.802 -0.416 -2.384
128 HD12 ILE 16 HD12 ILE 16 5.118 0.071 -3.933
129 HD13 ILE 16 HD13 ILE 16 4.977 -1.602 -3.393
130 H ASP 17 HN ASP 17 2.281 3.456 -5.384
131 HA ASP 17 HA ASP 17 -0.189 2.417 -6.645
132 HB2 ASP 17 HB2 ASP 17 0.108 4.768 -5.182
133 HB3 ASP 17 HB1 ASP 17 0.180 5.295 -6.864
134 H LEU 18 HN LEU 18 2.726 2.169 -7.349
135 HA LEU 18 HA LEU 18 2.841 3.675 -9.859
136 HB2 LEU 18 HB2 LEU 18 5.072 1.864 -9.240
137 HB3 LEU 18 HB1 LEU 18 5.088 3.562 -9.706
138 HG LEU 18 HG LEU 18 4.447 2.500 -6.936
139 HD11 LEU 18 HD11 LEU 18 6.556 3.740 -6.362
140 HD12 LEU 18 HD12 LEU 18 6.838 3.952 -8.090
141 HD13 LEU 18 HD13 LEU 18 6.809 2.332 -7.392
142 HD21 LEU 18 HD21 LEU 18 4.934 5.227 -6.793
143 HD22 LEU 18 HD22 LEU 18 3.340 4.472 -6.745
144 HD23 LEU 18 HD23 LEU 18 3.987 5.071 -8.272
145 HA PRO 19 HA PRO 19 2.988 -0.811 -11.413
146 HB2 PRO 19 HB2 PRO 19 2.336 -2.846 -9.722
147 HB3 PRO 19 HB1 PRO 19 3.982 -2.209 -9.885
148 HG2 PRO 19 HG2 PRO 19 2.026 -1.840 -7.716
149 HG3 PRO 19 HG1 PRO 19 3.793 -1.794 -7.669
150 HD2 PRO 19 HD2 PRO 19 2.048 0.433 -7.686
151 HD3 PRO 19 HD1 PRO 19 3.810 0.470 -7.882
152 H VAL 20 HN VAL 20 0.656 0.957 -10.467
153 HA VAL 20 HA VAL 20 -1.519 -0.899 -11.234
154 HB VAL 20 HB VAL 20 -1.548 -0.014 -8.825
155 HG11 VAL 20 HG11 VAL 20 -1.896 2.228 -8.412
156 HG12 VAL 20 HG12 VAL 20 -2.709 2.496 -9.954
157 HG13 VAL 20 HG13 VAL 20 -0.951 2.366 -9.894
158 HG21 VAL 20 HG21 VAL 20 -4.076 0.905 -9.452
159 HG22 VAL 20 HG22 VAL 20 -3.643 -0.791 -9.235
160 HG23 VAL 20 HG23 VAL 20 -3.681 -0.090 -10.853
161 H LYS 21 HN LYS 21 0.259 0.818 -12.862
162 HA LYS 21 HA LYS 21 -1.548 2.911 -13.827
163 HB2 LYS 21 HB2 LYS 21 0.958 3.258 -13.496
164 HB3 LYS 21 HB1 LYS 21 1.185 2.225 -14.907
165 HG2 LYS 21 HG2 LYS 21 -0.314 3.753 -16.206
166 HG3 LYS 21 HG1 LYS 21 -0.375 4.823 -14.803
167 HD2 LYS 21 HD2 LYS 21 1.419 5.809 -15.822
168 HD3 LYS 21 HD1 LYS 21 2.308 4.505 -15.037
169 HE2 LYS 21 HE2 LYS 21 1.803 3.124 -17.154
170 HE3 LYS 21 HE1 LYS 21 1.363 4.660 -17.900
171 HZ1 LYS 21 HZ1 LYS 21 3.588 5.489 -17.146
172 HZ2 LYS 21 HZ2 LYS 21 3.632 4.305 -18.364
173 HZ3 LYS 21 HZ3 LYS 21 3.984 3.887 -16.755
174 H ARG 22 HN ARG 22 0.468 0.426 -15.417
175 HA ARG 22 HA ARG 22 -0.680 0.364 -17.886
176 HB2 ARG 22 HB2 ARG 22 1.203 -1.120 -16.813
177 HB3 ARG 22 HB1 ARG 22 -0.118 -2.257 -16.548
178 HG2 ARG 22 HG2 ARG 22 -0.681 -1.776 -19.064
179 HG3 ARG 22 HG1 ARG 22 0.992 -1.225 -19.144
180 HD2 ARG 22 HD2 ARG 22 1.594 -3.456 -18.007
181 HD3 ARG 22 HD1 ARG 22 -0.038 -3.969 -18.427
182 HE ARG 22 HE ARG 22 1.431 -2.888 -20.666
183 HH11 ARG 22 HH11 ARG 22 1.971 -4.372 -22.296
184 HH12 ARG 22 HH12 ARG 22 1.865 -6.072 -21.981
185 HH21 ARG 22 HH21 ARG 22 0.779 -5.668 -18.713
186 HH22 ARG 22 HH22 ARG 22 1.190 -6.806 -19.952
187 H ARG 23 HN ARG 23 -1.690 -1.853 -15.270
188 HA ARG 23 HA ARG 23 -4.059 -2.680 -16.590
189 HB2 ARG 23 HB2 ARG 23 -3.273 -2.790 -13.669
190 HB3 ARG 23 HB1 ARG 23 -4.685 -3.595 -14.353
191 HG2 ARG 23 HG2 ARG 23 -3.424 -5.158 -15.487
192 HG3 ARG 23 HG1 ARG 23 -2.053 -4.065 -15.681
193 HD2 ARG 23 HD2 ARG 23 -1.347 -4.388 -13.429
194 HD3 ARG 23 HD1 ARG 23 -2.871 -5.148 -12.982
195 HE ARG 23 HE ARG 23 -1.571 -6.633 -15.041
196 HH11 ARG 23 HH11 ARG 23 -0.591 -8.594 -14.448
197 HH12 ARG 23 HH12 ARG 23 -0.226 -8.907 -12.784
198 HH21 ARG 23 HH21 ARG 23 -1.477 -5.871 -11.667
199 HH22 ARG 23 HH22 ARG 23 -0.729 -7.364 -11.209
200 H ALA 24 HN ALA 24 -6.142 -1.967 -16.463
201 HA ALA 24 HA ALA 24 -6.532 0.734 -15.447
202 HB1 ALA 24 HB1 ALA 24 -8.967 -0.053 -16.414
203 HB2 ALA 24 HB2 ALA 24 -7.869 -1.043 -17.376
204 HB3 ALA 24 HB3 ALA 24 -7.708 0.713 -17.381
Start of MODEL 10
1 H MET 1 HN MET 1 8.943 -13.099 -0.235
2 HA MET 1 HA MET 1 8.541 -10.891 -1.484
3 HB2 MET 1 HB2 MET 1 9.307 -13.078 -2.580
4 HB3 MET 1 HB1 MET 1 7.619 -13.302 -3.041
5 HG2 MET 1 HG2 MET 1 7.981 -10.727 -3.811
6 HG3 MET 1 HG1 MET 1 9.610 -11.355 -4.055
7 HE1 MET 1 HE1 MET 1 9.132 -10.509 -6.412
8 HE2 MET 1 HE2 MET 1 7.384 -10.291 -6.371
9 HE3 MET 1 HE3 MET 1 8.108 -11.308 -7.614
10 H ALA 2 HN ALA 2 6.829 -9.622 -0.806
11 HA ALA 2 HA ALA 2 4.728 -8.693 -0.890
12 HB1 ALA 2 HB1 ALA 2 5.158 -9.174 -3.365
13 HB2 ALA 2 HB2 ALA 2 3.481 -8.957 -2.864
14 HB3 ALA 2 HB3 ALA 2 4.114 -10.579 -3.150
15 HA PRO 3 HA PRO 3 2.867 -12.335 1.231
16 HB2 PRO 3 HB2 PRO 3 2.707 -11.271 3.720
17 HB3 PRO 3 HB1 PRO 3 4.199 -11.993 3.090
18 HG2 PRO 3 HG2 PRO 3 3.476 -9.143 3.428
19 HG3 PRO 3 HG1 PRO 3 5.053 -9.935 3.557
20 HD2 PRO 3 HD2 PRO 3 4.113 -8.486 1.332
21 HD3 PRO 3 HD1 PRO 3 5.520 -9.570 1.348
22 H ARG 4 HN ARG 4 1.566 -10.235 -0.330
23 HA ARG 4 HA ARG 4 -0.461 -9.153 -0.572
24 HB2 ARG 4 HB2 ARG 4 -0.856 -11.865 0.355
25 HB3 ARG 4 HB1 ARG 4 -2.174 -10.832 0.901
26 HG2 ARG 4 HG2 ARG 4 -2.710 -11.742 -1.303
27 HG3 ARG 4 HG1 ARG 4 -2.453 -10.003 -1.434
28 HD2 ARG 4 HD2 ARG 4 -0.814 -10.350 -2.930
29 HD3 ARG 4 HD1 ARG 4 0.077 -11.297 -1.743
30 HE ARG 4 HE ARG 4 -2.001 -12.860 -2.906
31 HH11 ARG 4 HH11 ARG 4 -1.396 -14.444 -4.416
32 HH12 ARG 4 HH12 ARG 4 0.155 -14.356 -5.182
33 HH21 ARG 4 HH21 ARG 4 1.107 -11.466 -3.518
34 HH22 ARG 4 HH22 ARG 4 1.572 -12.670 -4.673
35 H GLY 5 HN GLY 5 1.168 -8.636 1.963
36 HA2 GLY 5 HA2 GLY 5 -1.015 -7.311 3.455
37 HA3 GLY 5 HA1 GLY 5 0.251 -8.187 4.307
38 H PHE 6 HN PHE 6 2.530 -7.467 3.774
39 HA PHE 6 HA PHE 6 3.003 -4.876 4.531
40 HB2 PHE 6 HB2 PHE 6 4.561 -7.045 3.487
41 HB3 PHE 6 HB1 PHE 6 5.091 -5.540 2.735
42 HD1 PHE 6 HD1 PHE 6 6.305 -3.905 3.963
43 HD2 PHE 6 HD2 PHE 6 4.427 -7.180 6.013
44 HE1 PHE 6 HE1 PHE 6 7.482 -3.273 6.052
45 HE2 PHE 6 HE2 PHE 6 5.606 -6.548 8.102
46 HZ PHE 6 HZ PHE 6 7.133 -4.595 8.121
47 H SER 7 HN SER 7 2.441 -6.095 1.271
48 HA SER 7 HA SER 7 2.825 -3.412 0.147
49 HB2 SER 7 HB2 SER 7 2.713 -6.176 -0.949
50 HB3 SER 7 HB1 SER 7 2.156 -4.870 -1.992
51 HG SER 7 HG SER 7 4.545 -5.512 -1.844
52 H CYS 8 HN CYS 8 0.370 -5.183 1.526
53 HA CYS 8 HA CYS 8 -1.747 -4.217 -0.242
54 HB2 CYS 8 HB2 CYS 8 -1.651 -6.524 0.970
55 HB3 CYS 8 HB1 CYS 8 -2.220 -5.617 2.371
56 HG CYS 8 HG CYS 8 -4.246 -4.799 0.748
57 H LEU 9 HN LEU 9 -0.425 -3.609 2.973
58 HA LEU 9 HA LEU 9 -2.515 -1.727 3.664
59 HB2 LEU 9 HB2 LEU 9 -1.254 -1.373 5.705
60 HB3 LEU 9 HB1 LEU 9 -1.340 -3.104 5.378
61 HG LEU 9 HG LEU 9 0.938 -2.359 4.013
62 HD11 LEU 9 HD11 LEU 9 0.654 -0.099 5.211
63 HD12 LEU 9 HD12 LEU 9 2.223 -0.886 5.372
64 HD13 LEU 9 HD13 LEU 9 1.058 -0.965 6.693
65 HD21 LEU 9 HD21 LEU 9 0.854 -4.347 5.330
66 HD22 LEU 9 HD22 LEU 9 0.498 -3.445 6.802
67 HD23 LEU 9 HD23 LEU 9 2.101 -3.348 6.074
68 H LEU 10 HN LEU 10 0.375 -1.643 1.870
69 HA LEU 10 HA LEU 10 0.881 1.190 2.345
70 HB2 LEU 10 HB2 LEU 10 2.203 -0.867 0.564
71 HB3 LEU 10 HB1 LEU 10 2.698 0.823 0.627
72 HG LEU 10 HG LEU 10 2.597 -1.031 3.029
73 HD11 LEU 10 HD11 LEU 10 5.036 -1.091 2.866
74 HD12 LEU 10 HD12 LEU 10 4.988 -0.055 1.439
75 HD13 LEU 10 HD13 LEU 10 4.325 -1.688 1.367
76 HD21 LEU 10 HD21 LEU 10 2.525 1.053 4.011
77 HD22 LEU 10 HD22 LEU 10 3.240 1.858 2.616
78 HD23 LEU 10 HD23 LEU 10 4.263 0.960 3.737
79 H LEU 11 HN LEU 11 -0.990 -0.764 0.279
80 HA LEU 11 HA LEU 11 -0.974 0.863 -2.062
81 HB2 LEU 11 HB2 LEU 11 -1.959 -1.610 -1.455
82 HB3 LEU 11 HB1 LEU 11 -3.438 -0.648 -1.483
83 HG LEU 11 HG LEU 11 -1.363 -0.773 -3.693
84 HD11 LEU 11 HD11 LEU 11 -3.559 -2.469 -3.048
85 HD12 LEU 11 HD12 LEU 11 -2.550 -2.508 -4.494
86 HD13 LEU 11 HD13 LEU 11 -4.017 -1.532 -4.470
87 HD21 LEU 11 HD21 LEU 11 -3.466 0.421 -4.832
88 HD22 LEU 11 HD22 LEU 11 -2.235 1.351 -3.979
89 HD23 LEU 11 HD23 LEU 11 -3.753 0.948 -3.174
90 H LEU 12 HN LEU 12 -2.985 0.757 0.846
91 HA LEU 12 HA LEU 12 -4.906 2.663 -0.026
92 HB2 LEU 12 HB2 LEU 12 -4.129 1.436 2.578
93 HB3 LEU 12 HB1 LEU 12 -5.086 2.917 2.619
94 HG LEU 12 HG LEU 12 -5.913 0.698 0.776
95 HD11 LEU 12 HD11 LEU 12 -5.760 -0.587 2.740
96 HD12 LEU 12 HD12 LEU 12 -7.424 -0.004 2.783
97 HD13 LEU 12 HD13 LEU 12 -6.190 0.774 3.776
98 HD21 LEU 12 HD21 LEU 12 -6.890 3.163 1.130
99 HD22 LEU 12 HD22 LEU 12 -7.752 2.364 2.444
100 HD23 LEU 12 HD23 LEU 12 -7.948 1.795 0.786
101 H THR 13 HN THR 13 -2.067 2.959 2.114
102 HA THR 13 HA THR 13 -2.202 5.664 2.678
103 HB THR 13 HB THR 13 0.245 5.563 2.991
104 HG1 THR 13 HG1 THR 13 1.185 4.306 1.599
105 HG21 THR 13 HG21 THR 13 -1.257 3.093 3.902
106 HG22 THR 13 HG22 THR 13 -1.209 4.646 4.734
107 HG23 THR 13 HG23 THR 13 0.255 3.673 4.600
108 H DSN 14 HN DSE 14 -1.447 4.102 -0.313
109 HA DSN 14 HA DSE 14 -1.085 6.740 -1.568
110 HB2 DSN 14 HB1 DSE 14 -2.808 4.838 -2.274
111 HB3 DSN 14 HB2 DSE 14 -1.412 4.251 -3.175
112 HG DSN 14 HG DSE 14 -2.856 5.873 -4.215
113 H GLU 15 HN GLU 15 0.766 4.253 -0.406
114 HA GLU 15 HA GLU 15 3.166 5.205 -1.541
115 HB2 GLU 15 HB2 GLU 15 2.357 3.136 0.326
116 HB3 GLU 15 HB1 GLU 15 3.661 2.580 -0.722
117 HG2 GLU 15 HG2 GLU 15 3.716 5.230 0.740
118 HG3 GLU 15 HG1 GLU 15 4.434 3.753 1.381
119 H ILE 16 HN ILE 16 1.577 2.044 -2.068
120 HA ILE 16 HA ILE 16 3.094 1.699 -4.539
121 HB ILE 16 HB ILE 16 1.030 -0.172 -3.375
122 HG12 ILE 16 HG12 ILE 16 3.891 0.355 -2.618
123 HG13 ILE 16 HG11 ILE 16 2.509 0.026 -1.574
124 HG21 ILE 16 HG21 ILE 16 3.508 -0.857 -4.950
125 HG22 ILE 16 HG22 ILE 16 2.023 -0.378 -5.772
126 HG23 ILE 16 HG23 ILE 16 2.037 -1.807 -4.739
127 HD11 ILE 16 HD11 ILE 16 3.708 -1.993 -1.505
128 HD12 ILE 16 HD12 ILE 16 4.129 -1.908 -3.216
129 HD13 ILE 16 HD13 ILE 16 2.481 -2.305 -2.733
130 H ASP 17 HN ASP 17 1.767 3.745 -5.211
131 HA ASP 17 HA ASP 17 -0.830 2.958 -6.357
132 HB2 ASP 17 HB2 ASP 17 -0.119 5.226 -5.007
133 HB3 ASP 17 HB1 ASP 17 0.069 5.742 -6.681
134 H LEU 18 HN LEU 18 1.699 2.022 -7.438
135 HA LEU 18 HA LEU 18 1.880 3.492 -9.977
136 HB2 LEU 18 HB2 LEU 18 3.747 1.268 -9.556
137 HB3 LEU 18 HB1 LEU 18 4.058 2.926 -10.064
138 HG LEU 18 HG LEU 18 3.538 2.013 -7.216
139 HD11 LEU 18 HD11 LEU 18 5.897 2.797 -6.900
140 HD12 LEU 18 HD12 LEU 18 6.018 2.994 -8.648
141 HD13 LEU 18 HD13 LEU 18 5.758 1.393 -7.958
142 HD21 LEU 18 HD21 LEU 18 2.925 4.163 -6.875
143 HD22 LEU 18 HD22 LEU 18 3.354 4.606 -8.528
144 HD23 LEU 18 HD23 LEU 18 4.585 4.615 -7.265
145 HA PRO 19 HA PRO 19 0.993 -0.967 -11.386
146 HB2 PRO 19 HB2 PRO 19 0.023 -2.769 -9.573
147 HB3 PRO 19 HB1 PRO 19 1.749 -2.537 -9.903
148 HG2 PRO 19 HG2 PRO 19 0.141 -1.679 -7.592
149 HG3 PRO 19 HG1 PRO 19 1.867 -2.051 -7.699
150 HD2 PRO 19 HD2 PRO 19 0.712 0.518 -7.633
151 HD3 PRO 19 HD1 PRO 19 2.400 0.138 -8.025
152 H VAL 20 HN VAL 20 -0.918 1.222 -10.051
153 HA VAL 20 HA VAL 20 -3.472 -0.170 -10.384
154 HB VAL 20 HB VAL 20 -4.383 2.134 -9.744
155 HG11 VAL 20 HG11 VAL 20 -4.409 0.478 -8.059
156 HG12 VAL 20 HG12 VAL 20 -3.532 1.818 -7.320
157 HG13 VAL 20 HG13 VAL 20 -2.649 0.431 -7.959
158 HG21 VAL 20 HG21 VAL 20 -1.843 2.834 -8.470
159 HG22 VAL 20 HG22 VAL 20 -2.961 3.855 -9.372
160 HG23 VAL 20 HG23 VAL 20 -1.757 2.893 -10.230
161 H LYS 21 HN LYS 21 -1.593 0.362 -12.615
162 HA LYS 21 HA LYS 21 -3.528 1.649 -14.408
163 HB2 LYS 21 HB2 LYS 21 -1.591 3.223 -13.555
164 HB3 LYS 21 HB1 LYS 21 -0.635 2.338 -14.744
165 HG2 LYS 21 HG2 LYS 21 -2.335 2.880 -16.477
166 HG3 LYS 21 HG1 LYS 21 -3.219 3.831 -15.283
167 HD2 LYS 21 HD2 LYS 21 -1.147 5.214 -14.948
168 HD3 LYS 21 HD1 LYS 21 -0.406 4.343 -16.290
169 HE2 LYS 21 HE2 LYS 21 -3.044 5.806 -16.539
170 HE3 LYS 21 HE1 LYS 21 -1.492 6.556 -16.909
171 HZ1 LYS 21 HZ1 LYS 21 -1.997 3.957 -18.114
172 HZ2 LYS 21 HZ2 LYS 21 -1.230 5.327 -18.762
173 HZ3 LYS 21 HZ3 LYS 21 -2.926 5.246 -18.704
174 H ARG 22 HN ARG 22 -0.877 -0.509 -13.811
175 HA ARG 22 HA ARG 22 -0.940 -1.476 -16.593
176 HB2 ARG 22 HB2 ARG 22 1.128 -1.206 -14.606
177 HB3 ARG 22 HB1 ARG 22 0.997 -2.892 -15.105
178 HG2 ARG 22 HG2 ARG 22 2.553 -1.699 -16.580
179 HG3 ARG 22 HG1 ARG 22 1.113 -2.178 -17.481
180 HD2 ARG 22 HD2 ARG 22 0.645 -0.035 -17.968
181 HD3 ARG 22 HD1 ARG 22 0.686 0.401 -16.262
182 HE ARG 22 HE ARG 22 2.814 0.770 -18.190
183 HH11 ARG 22 HH11 ARG 22 4.668 1.820 -17.402
184 HH12 ARG 22 HH12 ARG 22 4.897 1.999 -15.695
185 HH21 ARG 22 HH21 ARG 22 1.941 0.389 -14.863
186 HH22 ARG 22 HH22 ARG 22 3.353 1.189 -14.257
187 H ARG 23 HN ARG 23 -0.226 -4.057 -16.357
188 HA ARG 23 HA ARG 23 -2.657 -5.288 -15.394
189 HB2 ARG 23 HB2 ARG 23 -1.340 -5.918 -17.513
190 HB3 ARG 23 HB1 ARG 23 -0.236 -6.757 -16.422
191 HG2 ARG 23 HG2 ARG 23 -2.130 -8.061 -15.514
192 HG3 ARG 23 HG1 ARG 23 -3.223 -7.237 -16.626
193 HD2 ARG 23 HD2 ARG 23 -0.791 -8.689 -17.649
194 HD3 ARG 23 HD1 ARG 23 -2.287 -9.558 -17.323
195 HE ARG 23 HE ARG 23 -1.807 -7.692 -19.491
196 HH11 ARG 23 HH11 ARG 23 -3.512 -7.489 -20.979
197 HH12 ARG 23 HH12 ARG 23 -5.076 -8.121 -20.587
198 HH21 ARG 23 HH21 ARG 23 -4.114 -9.292 -17.468
199 HH22 ARG 23 HH22 ARG 23 -5.417 -9.142 -18.600
200 H ALA 24 HN ALA 24 0.749 -5.214 -14.463
201 HA ALA 24 HA ALA 24 -0.003 -6.339 -11.853
202 HB1 ALA 24 HB1 ALA 24 0.826 -8.275 -12.982
203 HB2 ALA 24 HB2 ALA 24 2.127 -7.716 -11.929
204 HB3 ALA 24 HB3 ALA 24 2.185 -7.378 -13.659
Start of MODEL 11
1 H MET 1 HN MET 1 1.628 -7.419 -9.091
2 HA MET 1 HA MET 1 -0.024 -8.965 -7.822
3 HB2 MET 1 HB2 MET 1 2.106 -10.943 -8.660
4 HB3 MET 1 HB1 MET 1 0.649 -11.276 -7.724
5 HG2 MET 1 HG2 MET 1 0.682 -10.249 -10.577
6 HG3 MET 1 HG1 MET 1 0.381 -11.922 -10.107
7 HE1 MET 1 HE1 MET 1 -3.010 -10.757 -11.330
8 HE2 MET 1 HE2 MET 1 -1.375 -11.199 -11.815
9 HE3 MET 1 HE3 MET 1 -1.815 -9.498 -11.672
10 H ALA 2 HN ALA 2 0.499 -9.551 -5.647
11 HA ALA 2 HA ALA 2 3.149 -9.495 -4.627
12 HB1 ALA 2 HB1 ALA 2 1.988 -7.182 -3.382
13 HB2 ALA 2 HB2 ALA 2 2.014 -6.948 -5.129
14 HB3 ALA 2 HB3 ALA 2 3.509 -7.310 -4.268
15 HA PRO 3 HA PRO 3 1.458 -11.269 -0.967
16 HB2 PRO 3 HB2 PRO 3 2.193 -8.861 0.632
17 HB3 PRO 3 HB1 PRO 3 2.568 -10.568 0.926
18 HG2 PRO 3 HG2 PRO 3 4.382 -8.835 -0.018
19 HG3 PRO 3 HG1 PRO 3 4.376 -10.550 -0.456
20 HD2 PRO 3 HD2 PRO 3 3.667 -8.201 -2.110
21 HD3 PRO 3 HD1 PRO 3 4.185 -9.825 -2.606
22 H ARG 4 HN ARG 4 0.064 -10.575 1.096
23 HA ARG 4 HA ARG 4 -2.094 -8.778 0.152
24 HB2 ARG 4 HB2 ARG 4 -2.379 -11.450 0.397
25 HB3 ARG 4 HB1 ARG 4 -2.774 -10.956 2.043
26 HG2 ARG 4 HG2 ARG 4 -4.421 -9.330 1.140
27 HG3 ARG 4 HG1 ARG 4 -4.059 -9.897 -0.491
28 HD2 ARG 4 HD2 ARG 4 -4.845 -12.127 0.049
29 HD3 ARG 4 HD1 ARG 4 -5.055 -11.686 1.742
30 HE ARG 4 HE ARG 4 -6.853 -11.062 -0.440
31 HH11 ARG 4 HH11 ARG 4 -8.765 -9.988 0.155
32 HH12 ARG 4 HH12 ARG 4 -8.894 -9.268 1.725
33 HH21 ARG 4 HH21 ARG 4 -5.710 -10.218 2.715
34 HH22 ARG 4 HH22 ARG 4 -7.165 -9.398 3.174
35 H GLY 5 HN GLY 5 0.142 -7.984 1.750
36 HA2 GLY 5 HA2 GLY 5 -1.295 -6.841 3.989
37 HA3 GLY 5 HA1 GLY 5 -0.017 -7.959 4.455
38 H PHE 6 HN PHE 6 2.172 -7.483 3.788
39 HA PHE 6 HA PHE 6 3.112 -4.991 4.359
40 HB2 PHE 6 HB2 PHE 6 4.197 -7.368 3.259
41 HB3 PHE 6 HB1 PHE 6 4.749 -6.033 2.247
42 HD1 PHE 6 HD1 PHE 6 4.610 -7.316 5.730
43 HD2 PHE 6 HD2 PHE 6 6.298 -4.398 3.067
44 HE1 PHE 6 HE1 PHE 6 6.236 -6.656 7.483
45 HE2 PHE 6 HE2 PHE 6 7.923 -3.738 4.819
46 HZ PHE 6 HZ PHE 6 7.893 -4.867 7.027
47 H SER 7 HN SER 7 2.273 -6.190 1.113
48 HA SER 7 HA SER 7 2.696 -3.549 -0.043
49 HB2 SER 7 HB2 SER 7 3.289 -5.715 -1.222
50 HB3 SER 7 HB1 SER 7 1.560 -6.003 -1.395
51 HG SER 7 HG SER 7 2.892 -4.757 -3.090
52 H CYS 8 HN CYS 8 0.235 -5.095 1.598
53 HA CYS 8 HA CYS 8 -1.988 -4.021 0.079
54 HB2 CYS 8 HB2 CYS 8 -1.867 -6.163 1.628
55 HB3 CYS 8 HB1 CYS 8 -2.281 -5.000 2.888
56 HG CYS 8 HG CYS 8 -4.576 -5.608 1.995
57 H LEU 9 HN LEU 9 -0.226 -3.246 3.044
58 HA LEU 9 HA LEU 9 -1.983 -1.071 3.753
59 HB2 LEU 9 HB2 LEU 9 -0.363 -0.618 5.521
60 HB3 LEU 9 HB1 LEU 9 -0.710 -2.346 5.455
61 HG LEU 9 HG LEU 9 1.390 -2.078 3.677
62 HD11 LEU 9 HD11 LEU 9 3.066 -0.703 4.713
63 HD12 LEU 9 HD12 LEU 9 2.044 -0.414 6.122
64 HD13 LEU 9 HD13 LEU 9 1.620 0.294 4.563
65 HD21 LEU 9 HD21 LEU 9 1.235 -3.891 5.243
66 HD22 LEU 9 HD22 LEU 9 1.308 -2.791 6.620
67 HD23 LEU 9 HD23 LEU 9 2.735 -3.043 5.615
68 H LEU 10 HN LEU 10 0.774 -1.491 1.721
69 HA LEU 10 HA LEU 10 1.534 1.305 1.716
70 HB2 LEU 10 HB2 LEU 10 2.370 -1.039 -0.006
71 HB3 LEU 10 HB1 LEU 10 3.049 0.579 -0.152
72 HG LEU 10 HG LEU 10 3.073 -1.071 2.395
73 HD11 LEU 10 HD11 LEU 10 5.451 -1.427 1.934
74 HD12 LEU 10 HD12 LEU 10 5.319 -0.504 0.438
75 HD13 LEU 10 HD13 LEU 10 4.483 -2.049 0.598
76 HD21 LEU 10 HD21 LEU 10 3.348 1.080 3.184
77 HD22 LEU 10 HD22 LEU 10 3.976 1.681 1.650
78 HD23 LEU 10 HD23 LEU 10 5.018 0.751 2.725
79 H LEU 11 HN LEU 11 -0.672 -0.745 0.037
80 HA LEU 11 HA LEU 11 -0.939 1.028 -2.254
81 HB2 LEU 11 HB2 LEU 11 -1.324 -1.630 -2.001
82 HB3 LEU 11 HB1 LEU 11 -2.974 -1.066 -1.732
83 HG LEU 11 HG LEU 11 -1.227 -0.369 -4.112
84 HD11 LEU 11 HD11 LEU 11 -3.192 -1.600 -5.276
85 HD12 LEU 11 HD12 LEU 11 -3.535 -2.262 -3.677
86 HD13 LEU 11 HD13 LEU 11 -1.981 -2.580 -4.448
87 HD21 LEU 11 HD21 LEU 11 -3.593 0.491 -4.880
88 HD22 LEU 11 HD22 LEU 11 -2.592 1.512 -3.848
89 HD23 LEU 11 HD23 LEU 11 -3.914 0.577 -3.148
90 H LEU 12 HN LEU 12 -2.671 0.230 0.712
91 HA LEU 12 HA LEU 12 -5.026 1.713 0.153
92 HB2 LEU 12 HB2 LEU 12 -3.757 0.574 2.611
93 HB3 LEU 12 HB1 LEU 12 -5.073 1.734 2.792
94 HG LEU 12 HG LEU 12 -5.417 -0.506 0.839
95 HD11 LEU 12 HD11 LEU 12 -5.751 -0.768 3.844
96 HD12 LEU 12 HD12 LEU 12 -4.560 -1.620 2.861
97 HD13 LEU 12 HD13 LEU 12 -6.279 -1.955 2.652
98 HD21 LEU 12 HD21 LEU 12 -7.429 0.528 2.818
99 HD22 LEU 12 HD22 LEU 12 -7.690 -0.099 1.190
100 HD23 LEU 12 HD23 LEU 12 -7.010 1.512 1.416
101 H THR 13 HN THR 13 -2.132 2.504 2.086
102 HA THR 13 HA THR 13 -2.864 5.114 2.792
103 HB THR 13 HB THR 13 -0.347 5.478 2.951
104 HG1 THR 13 HG1 THR 13 0.073 2.788 2.711
105 HG21 THR 13 HG21 THR 13 -0.157 3.556 4.708
106 HG22 THR 13 HG22 THR 13 -1.845 3.245 4.297
107 HG23 THR 13 HG23 THR 13 -1.370 4.813 4.951
108 H DSN 14 HN DSE 14 -0.752 4.050 0.119
109 HA DSN 14 HA DSE 14 -1.249 6.636 -1.219
110 HB2 DSN 14 HB1 DSE 14 -2.557 4.478 -2.047
111 HB3 DSN 14 HB2 DSE 14 -1.031 4.160 -2.865
112 HG DSN 14 HG DSE 14 -2.708 6.414 -3.112
113 H GLU 15 HN GLU 15 0.821 3.837 -0.738
114 HA GLU 15 HA GLU 15 3.139 5.464 -1.449
115 HB2 GLU 15 HB2 GLU 15 2.703 2.896 0.021
116 HB3 GLU 15 HB1 GLU 15 4.287 3.209 -0.692
117 HG2 GLU 15 HG2 GLU 15 4.156 4.020 1.648
118 HG3 GLU 15 HG1 GLU 15 4.436 5.337 0.511
119 H ILE 16 HN ILE 16 1.929 2.195 -2.253
120 HA ILE 16 HA ILE 16 3.493 2.311 -4.751
121 HB ILE 16 HB ILE 16 2.210 -0.040 -3.344
122 HG12 ILE 16 HG12 ILE 16 5.143 0.607 -3.736
123 HG13 ILE 16 HG11 ILE 16 4.252 1.056 -2.281
124 HG21 ILE 16 HG21 ILE 16 3.342 0.348 -6.030
125 HG22 ILE 16 HG22 ILE 16 2.331 -0.961 -5.414
126 HG23 ILE 16 HG23 ILE 16 4.073 -0.989 -5.144
127 HD11 ILE 16 HD11 ILE 16 4.160 -1.087 -1.519
128 HD12 ILE 16 HD12 ILE 16 5.540 -1.325 -2.591
129 HD13 ILE 16 HD13 ILE 16 3.917 -1.753 -3.132
130 H ASP 17 HN ASP 17 1.532 3.918 -5.163
131 HA ASP 17 HA ASP 17 -0.779 2.442 -6.227
132 HB2 ASP 17 HB2 ASP 17 -1.443 4.998 -6.661
133 HB3 ASP 17 HB1 ASP 17 -1.702 4.211 -5.106
134 H LEU 18 HN LEU 18 1.737 4.731 -7.198
135 HA LEU 18 HA LEU 18 0.973 4.388 -10.013
136 HB2 LEU 18 HB2 LEU 18 3.240 6.166 -9.408
137 HB3 LEU 18 HB1 LEU 18 1.832 6.437 -10.426
138 HG LEU 18 HG LEU 18 1.762 6.526 -7.391
139 HD11 LEU 18 HD11 LEU 18 3.161 8.321 -8.345
140 HD12 LEU 18 HD12 LEU 18 1.665 8.955 -7.657
141 HD13 LEU 18 HD13 LEU 18 1.829 8.785 -9.405
142 HD21 LEU 18 HD21 LEU 18 -0.220 7.436 -9.503
143 HD22 LEU 18 HD22 LEU 18 -0.442 7.540 -7.756
144 HD23 LEU 18 HD23 LEU 18 -0.380 5.964 -8.545
145 HA PRO 19 HA PRO 19 5.517 2.946 -9.929
146 HB2 PRO 19 HB2 PRO 19 6.416 2.139 -7.387
147 HB3 PRO 19 HB1 PRO 19 6.863 3.620 -8.246
148 HG2 PRO 19 HG2 PRO 19 5.261 3.341 -5.902
149 HG3 PRO 19 HG1 PRO 19 5.754 4.820 -6.733
150 HD2 PRO 19 HD2 PRO 19 3.159 3.497 -6.753
151 HD3 PRO 19 HD1 PRO 19 3.599 5.096 -7.379
152 H VAL 20 HN VAL 20 2.795 1.607 -9.207
153 HA VAL 20 HA VAL 20 3.686 -1.095 -8.536
154 HB VAL 20 HB VAL 20 1.611 -0.205 -7.512
155 HG11 VAL 20 HG11 VAL 20 1.090 1.112 -9.702
156 HG12 VAL 20 HG12 VAL 20 -0.258 0.438 -8.784
157 HG13 VAL 20 HG13 VAL 20 0.325 -0.387 -10.229
158 HG21 VAL 20 HG21 VAL 20 0.730 -2.295 -7.517
159 HG22 VAL 20 HG22 VAL 20 2.014 -2.710 -8.652
160 HG23 VAL 20 HG23 VAL 20 0.424 -2.243 -9.252
161 H LYS 21 HN LYS 21 4.371 0.308 -11.079
162 HA LYS 21 HA LYS 21 3.714 -1.892 -12.865
163 HB2 LYS 21 HB2 LYS 21 1.858 -0.138 -13.051
164 HB3 LYS 21 HB1 LYS 21 3.080 0.917 -13.764
165 HG2 LYS 21 HG2 LYS 21 3.576 -1.079 -15.347
166 HG3 LYS 21 HG1 LYS 21 2.012 -1.698 -14.818
167 HD2 LYS 21 HD2 LYS 21 1.076 0.619 -15.423
168 HD3 LYS 21 HD1 LYS 21 2.599 0.885 -16.271
169 HE2 LYS 21 HE2 LYS 21 2.208 -1.126 -17.633
170 HE3 LYS 21 HE1 LYS 21 0.698 -1.425 -16.772
171 HZ1 LYS 21 HZ1 LYS 21 1.043 1.216 -17.954
172 HZ2 LYS 21 HZ2 LYS 21 -0.351 0.253 -17.829
173 HZ3 LYS 21 HZ3 LYS 21 0.804 -0.072 -19.032
174 H ARG 22 HN ARG 22 5.118 1.381 -12.692
175 HA ARG 22 HA ARG 22 7.098 0.814 -14.702
176 HB2 ARG 22 HB2 ARG 22 6.224 3.115 -13.131
177 HB3 ARG 22 HB1 ARG 22 7.978 3.040 -13.306
178 HG2 ARG 22 HG2 ARG 22 7.766 2.857 -15.734
179 HG3 ARG 22 HG1 ARG 22 6.007 2.826 -15.599
180 HD2 ARG 22 HD2 ARG 22 5.974 5.070 -15.645
181 HD3 ARG 22 HD1 ARG 22 6.924 5.104 -14.162
182 HE ARG 22 HE ARG 22 8.686 4.633 -16.293
183 HH11 ARG 22 HH11 ARG 22 9.882 6.362 -17.155
184 HH12 ARG 22 HH12 ARG 22 9.334 7.988 -16.924
185 HH21 ARG 22 HH21 ARG 22 6.524 7.063 -15.112
186 HH22 ARG 22 HH22 ARG 22 7.432 8.385 -15.767
187 H ARG 23 HN ARG 23 9.074 -0.028 -14.442
188 HA ARG 23 HA ARG 23 9.965 -0.633 -11.700
189 HB2 ARG 23 HB2 ARG 23 9.703 -2.385 -13.652
190 HB3 ARG 23 HB1 ARG 23 11.282 -1.767 -14.136
191 HG2 ARG 23 HG2 ARG 23 11.991 -2.132 -11.693
192 HG3 ARG 23 HG1 ARG 23 10.517 -3.087 -11.529
193 HD2 ARG 23 HD2 ARG 23 12.276 -4.621 -12.092
194 HD3 ARG 23 HD1 ARG 23 11.282 -4.431 -13.533
195 HE ARG 23 HE ARG 23 13.435 -2.559 -13.535
196 HH11 ARG 23 HH11 ARG 23 15.156 -2.959 -14.963
197 HH12 ARG 23 HH12 ARG 23 15.370 -4.543 -15.631
198 HH21 ARG 23 HH21 ARG 23 12.632 -5.894 -13.990
199 HH22 ARG 23 HH22 ARG 23 13.941 -6.204 -15.079
200 H ALA 24 HN ALA 24 11.197 0.579 -14.815
201 HA ALA 24 HA ALA 24 13.004 1.902 -15.328
202 HB1 ALA 24 HB1 ALA 24 11.946 3.684 -14.226
203 HB2 ALA 24 HB2 ALA 24 13.541 3.631 -13.475
204 HB3 ALA 24 HB3 ALA 24 12.148 2.944 -12.638
Start of MODEL 12
1 H MET 1 HN MET 1 4.826 -7.586 -9.378
2 HA MET 1 HA MET 1 2.774 -9.462 -8.352
3 HB2 MET 1 HB2 MET 1 5.691 -9.896 -8.974
4 HB3 MET 1 HB1 MET 1 4.813 -10.956 -7.869
5 HG2 MET 1 HG2 MET 1 4.772 -11.852 -10.169
6 HG3 MET 1 HG1 MET 1 3.149 -11.422 -9.629
7 HE1 MET 1 HE1 MET 1 1.884 -11.015 -11.784
8 HE2 MET 1 HE2 MET 1 1.815 -9.305 -12.205
9 HE3 MET 1 HE3 MET 1 1.692 -9.795 -10.517
10 H ALA 2 HN ALA 2 2.251 -9.019 -6.317
11 HA ALA 2 HA ALA 2 4.371 -8.380 -4.398
12 HB1 ALA 2 HB1 ALA 2 3.800 -6.217 -4.264
13 HB2 ALA 2 HB2 ALA 2 2.208 -6.715 -3.688
14 HB3 ALA 2 HB3 ALA 2 2.482 -6.455 -5.412
15 HA PRO 3 HA PRO 3 2.035 -10.963 -1.713
16 HB2 PRO 3 HB2 PRO 3 2.302 -9.725 0.721
17 HB3 PRO 3 HB1 PRO 3 3.606 -10.635 -0.066
18 HG2 PRO 3 HG2 PRO 3 3.163 -7.699 0.076
19 HG3 PRO 3 HG1 PRO 3 4.674 -8.621 0.152
20 HD2 PRO 3 HD2 PRO 3 3.836 -7.308 -2.104
21 HD3 PRO 3 HD1 PRO 3 4.866 -8.757 -2.144
22 H ARG 4 HN ARG 4 0.493 -10.507 0.479
23 HA ARG 4 HA ARG 4 -1.636 -8.680 -0.470
24 HB2 ARG 4 HB2 ARG 4 -2.025 -11.233 -0.672
25 HB3 ARG 4 HB1 ARG 4 -2.186 -11.197 1.084
26 HG2 ARG 4 HG2 ARG 4 -4.381 -10.783 0.548
27 HG3 ARG 4 HG1 ARG 4 -3.787 -9.123 0.479
28 HD2 ARG 4 HD2 ARG 4 -3.323 -9.482 -1.975
29 HD3 ARG 4 HD1 ARG 4 -4.149 -11.032 -1.843
30 HE ARG 4 HE ARG 4 -5.384 -8.405 -1.833
31 HH11 ARG 4 HH11 ARG 4 -7.655 -8.415 -1.832
32 HH12 ARG 4 HH12 ARG 4 -8.509 -9.879 -1.479
33 HH21 ARG 4 HH21 ARG 4 -5.631 -11.760 -1.025
34 HH22 ARG 4 HH22 ARG 4 -7.363 -11.773 -1.022
35 H GLY 5 HN GLY 5 0.492 -8.061 1.386
36 HA2 GLY 5 HA2 GLY 5 -1.152 -7.161 3.612
37 HA3 GLY 5 HA1 GLY 5 0.166 -8.248 4.042
38 H PHE 6 HN PHE 6 2.360 -7.601 3.410
39 HA PHE 6 HA PHE 6 3.124 -5.122 4.306
40 HB2 PHE 6 HB2 PHE 6 4.384 -7.317 2.978
41 HB3 PHE 6 HB1 PHE 6 4.947 -5.817 2.240
42 HD1 PHE 6 HD1 PHE 6 5.245 -8.012 5.054
43 HD2 PHE 6 HD2 PHE 6 5.695 -3.918 3.836
44 HE1 PHE 6 HE1 PHE 6 6.692 -7.585 7.023
45 HE2 PHE 6 HE2 PHE 6 7.142 -3.491 5.805
46 HZ PHE 6 HZ PHE 6 7.640 -5.325 7.398
47 H SER 7 HN SER 7 2.530 -6.059 0.922
48 HA SER 7 HA SER 7 2.855 -3.311 0.025
49 HB2 SER 7 HB2 SER 7 3.681 -5.050 -1.437
50 HB3 SER 7 HB1 SER 7 2.117 -5.860 -1.429
51 HG SER 7 HG SER 7 1.634 -4.611 -3.039
52 H CYS 8 HN CYS 8 0.407 -5.085 1.425
53 HA CYS 8 HA CYS 8 -1.803 -3.995 -0.099
54 HB2 CYS 8 HB2 CYS 8 -1.605 -6.232 1.349
55 HB3 CYS 8 HB1 CYS 8 -2.217 -5.161 2.609
56 HG CYS 8 HG CYS 8 -4.091 -4.571 0.572
57 H LEU 9 HN LEU 9 -0.340 -3.474 3.098
58 HA LEU 9 HA LEU 9 -2.169 -1.427 3.881
59 HB2 LEU 9 HB2 LEU 9 -0.601 -1.009 5.706
60 HB3 LEU 9 HB1 LEU 9 -0.835 -2.744 5.501
61 HG LEU 9 HG LEU 9 1.266 -2.198 3.783
62 HD11 LEU 9 HD11 LEU 9 2.845 -0.828 4.988
63 HD12 LEU 9 HD12 LEU 9 1.752 -0.690 6.365
64 HD13 LEU 9 HD13 LEU 9 1.351 0.099 4.840
65 HD21 LEU 9 HD21 LEU 9 1.211 -3.146 6.661
66 HD22 LEU 9 HD22 LEU 9 2.646 -3.248 5.640
67 HD23 LEU 9 HD23 LEU 9 1.188 -4.141 5.204
68 H LEU 10 HN LEU 10 0.697 -1.496 1.935
69 HA LEU 10 HA LEU 10 1.273 1.321 2.150
70 HB2 LEU 10 HB2 LEU 10 2.213 -0.800 0.206
71 HB3 LEU 10 HB1 LEU 10 2.813 0.857 0.225
72 HG LEU 10 HG LEU 10 2.925 -1.038 2.594
73 HD11 LEU 10 HD11 LEU 10 4.686 -0.655 0.269
74 HD12 LEU 10 HD12 LEU 10 4.613 -1.992 1.418
75 HD13 LEU 10 HD13 LEU 10 5.516 -0.532 1.820
76 HD21 LEU 10 HD21 LEU 10 3.101 1.039 3.588
77 HD22 LEU 10 HD22 LEU 10 3.706 1.811 2.124
78 HD23 LEU 10 HD23 LEU 10 4.783 0.825 3.110
79 H LEU 11 HN LEU 11 -0.939 -0.601 0.392
80 HA LEU 11 HA LEU 11 -1.213 1.111 -1.898
81 HB2 LEU 11 HB2 LEU 11 -1.891 -1.394 -1.610
82 HB3 LEU 11 HB1 LEU 11 -3.376 -0.731 -0.929
83 HG LEU 11 HG LEU 11 -3.295 0.802 -3.091
84 HD11 LEU 11 HD11 LEU 11 -2.132 -1.671 -4.305
85 HD12 LEU 11 HD12 LEU 11 -1.022 -0.497 -3.597
86 HD13 LEU 11 HD13 LEU 11 -2.107 -0.012 -4.901
87 HD21 LEU 11 HD21 LEU 11 -4.518 -1.144 -4.304
88 HD22 LEU 11 HD22 LEU 11 -5.175 -0.592 -2.762
89 HD23 LEU 11 HD23 LEU 11 -4.205 -2.065 -2.833
90 H LEU 12 HN LEU 12 -3.519 0.394 0.740
91 HA LEU 12 HA LEU 12 -5.316 2.428 0.288
92 HB2 LEU 12 HB2 LEU 12 -4.397 1.021 2.777
93 HB3 LEU 12 HB1 LEU 12 -5.608 2.296 2.871
94 HG LEU 12 HG LEU 12 -6.537 -0.042 2.642
95 HD11 LEU 12 HD11 LEU 12 -7.571 1.090 0.186
96 HD12 LEU 12 HD12 LEU 12 -7.366 2.349 1.400
97 HD13 LEU 12 HD13 LEU 12 -8.360 0.939 1.754
98 HD21 LEU 12 HD21 LEU 12 -5.563 0.161 -0.215
99 HD22 LEU 12 HD22 LEU 12 -6.403 -1.190 0.539
100 HD23 LEU 12 HD23 LEU 12 -4.757 -0.800 1.026
101 H THR 13 HN THR 13 -2.063 2.738 1.162
102 HA THR 13 HA THR 13 -2.445 5.367 2.417
103 HB THR 13 HB THR 13 -0.010 5.245 2.855
104 HG1 THR 13 HG1 THR 13 -0.281 3.178 1.086
105 HG21 THR 13 HG21 THR 13 -1.082 4.373 4.690
106 HG22 THR 13 HG22 THR 13 -0.248 2.912 4.161
107 HG23 THR 13 HG23 THR 13 -1.944 3.160 3.742
108 H DSN 14 HN DSE 14 -1.454 3.870 -0.552
109 HA DSN 14 HA DSE 14 -1.053 6.540 -1.723
110 HB2 DSN 14 HB1 DSE 14 -1.278 4.026 -3.339
111 HB3 DSN 14 HB2 DSE 14 -1.767 5.665 -3.755
112 HG DSN 14 HG DSE 14 -2.999 4.501 -1.558
113 H GLU 15 HN GLU 15 0.866 4.493 -0.258
114 HA GLU 15 HA GLU 15 3.263 5.362 -1.327
115 HB2 GLU 15 HB2 GLU 15 2.410 3.216 0.477
116 HB3 GLU 15 HB1 GLU 15 3.894 2.845 -0.401
117 HG2 GLU 15 HG2 GLU 15 3.464 5.482 1.012
118 HG3 GLU 15 HG1 GLU 15 4.189 4.088 1.811
119 H ILE 16 HN ILE 16 1.636 2.254 -1.991
120 HA ILE 16 HA ILE 16 3.313 1.967 -4.403
121 HB ILE 16 HB ILE 16 1.654 -0.120 -2.964
122 HG12 ILE 16 HG12 ILE 16 3.846 0.923 -1.882
123 HG13 ILE 16 HG11 ILE 16 3.571 -0.816 -1.846
124 HG21 ILE 16 HG21 ILE 16 3.199 -1.624 -4.401
125 HG22 ILE 16 HG22 ILE 16 3.487 -0.172 -5.360
126 HG23 ILE 16 HG23 ILE 16 1.855 -0.820 -5.209
127 HD11 ILE 16 HD11 ILE 16 5.892 0.024 -2.634
128 HD12 ILE 16 HD12 ILE 16 5.071 0.466 -4.129
129 HD13 ILE 16 HD13 ILE 16 5.096 -1.215 -3.601
130 H ASP 17 HN ASP 17 1.872 3.630 -5.372
131 HA ASP 17 HA ASP 17 -0.750 2.553 -6.188
132 HB2 ASP 17 HB2 ASP 17 -0.067 5.051 -5.255
133 HB3 ASP 17 HB1 ASP 17 -0.090 5.292 -7.000
134 H LEU 18 HN LEU 18 1.831 1.664 -7.289
135 HA LEU 18 HA LEU 18 1.773 2.759 -10.005
136 HB2 LEU 18 HB2 LEU 18 3.688 0.601 -9.444
137 HB3 LEU 18 HB1 LEU 18 3.943 2.177 -10.187
138 HG LEU 18 HG LEU 18 3.630 1.669 -7.209
139 HD11 LEU 18 HD11 LEU 18 5.907 1.650 -9.019
140 HD12 LEU 18 HD12 LEU 18 5.820 1.181 -7.321
141 HD13 LEU 18 HD13 LEU 18 6.086 2.869 -7.758
142 HD21 LEU 18 HD21 LEU 18 3.404 4.055 -8.870
143 HD22 LEU 18 HD22 LEU 18 4.701 4.210 -7.685
144 HD23 LEU 18 HD23 LEU 18 3.057 3.856 -7.152
145 HA PRO 19 HA PRO 19 0.715 -1.793 -10.802
146 HB2 PRO 19 HB2 PRO 19 0.143 -3.454 -8.738
147 HB3 PRO 19 HB1 PRO 19 1.805 -3.129 -9.266
148 HG2 PRO 19 HG2 PRO 19 0.352 -2.144 -6.893
149 HG3 PRO 19 HG1 PRO 19 2.080 -2.443 -7.121
150 HD2 PRO 19 HD2 PRO 19 0.783 0.069 -7.220
151 HD3 PRO 19 HD1 PRO 19 2.455 -0.275 -7.697
152 H VAL 20 HN VAL 20 -1.021 0.496 -9.512
153 HA VAL 20 HA VAL 20 -3.574 -0.843 -10.037
154 HB VAL 20 HB VAL 20 -3.196 0.869 -7.576
155 HG11 VAL 20 HG11 VAL 20 -5.394 0.095 -6.998
156 HG12 VAL 20 HG12 VAL 20 -5.384 -1.096 -8.298
157 HG13 VAL 20 HG13 VAL 20 -5.477 0.623 -8.679
158 HG21 VAL 20 HG21 VAL 20 -1.873 -1.124 -7.230
159 HG22 VAL 20 HG22 VAL 20 -3.145 -2.145 -7.902
160 HG23 VAL 20 HG23 VAL 20 -3.388 -1.337 -6.354
161 H LYS 21 HN LYS 21 -2.794 0.622 -11.948
162 HA LYS 21 HA LYS 21 -4.270 3.145 -11.683
163 HB2 LYS 21 HB2 LYS 21 -1.382 2.912 -12.019
164 HB3 LYS 21 HB1 LYS 21 -2.134 3.840 -13.315
165 HG2 LYS 21 HG2 LYS 21 -3.164 5.348 -11.743
166 HG3 LYS 21 HG1 LYS 21 -2.686 4.336 -10.378
167 HD2 LYS 21 HD2 LYS 21 -1.187 6.294 -10.627
168 HD3 LYS 21 HD1 LYS 21 -0.316 4.777 -10.859
169 HE2 LYS 21 HE2 LYS 21 -1.519 6.130 -13.248
170 HE3 LYS 21 HE1 LYS 21 -0.013 6.760 -12.581
171 HZ1 LYS 21 HZ1 LYS 21 -0.413 4.470 -14.172
172 HZ2 LYS 21 HZ2 LYS 21 0.230 3.997 -12.672
173 HZ3 LYS 21 HZ3 LYS 21 1.047 5.141 -13.627
174 H ARG 22 HN ARG 22 -4.069 4.216 -14.082
175 HA ARG 22 HA ARG 22 -5.103 2.118 -15.872
176 HB2 ARG 22 HB2 ARG 22 -5.398 5.127 -16.055
177 HB3 ARG 22 HB1 ARG 22 -6.196 3.935 -17.082
178 HG2 ARG 22 HG2 ARG 22 -7.433 3.045 -15.208
179 HG3 ARG 22 HG1 ARG 22 -6.514 4.031 -14.070
180 HD2 ARG 22 HD2 ARG 22 -7.793 5.576 -16.223
181 HD3 ARG 22 HD1 ARG 22 -8.933 4.746 -15.170
182 HE ARG 22 HE ARG 22 -6.915 6.117 -13.666
183 HH11 ARG 22 HH11 ARG 22 -7.567 7.985 -12.553
184 HH12 ARG 22 HH12 ARG 22 -9.053 8.766 -12.978
185 HH21 ARG 22 HH21 ARG 22 -9.835 6.500 -15.484
186 HH22 ARG 22 HH22 ARG 22 -10.337 7.926 -14.638
187 H ARG 23 HN ARG 23 -2.274 2.428 -15.498
188 HA ARG 23 HA ARG 23 -1.529 2.970 -18.279
189 HB2 ARG 23 HB2 ARG 23 -1.130 4.998 -16.644
190 HB3 ARG 23 HB1 ARG 23 0.267 4.046 -16.140
191 HG2 ARG 23 HG2 ARG 23 1.005 3.898 -18.501
192 HG3 ARG 23 HG1 ARG 23 -0.371 4.891 -18.982
193 HD2 ARG 23 HD2 ARG 23 1.581 5.845 -16.892
194 HD3 ARG 23 HD1 ARG 23 1.901 6.078 -18.609
195 HE ARG 23 HE ARG 23 -0.607 7.068 -18.346
196 HH11 ARG 23 HH11 ARG 23 -1.086 9.204 -17.741
197 HH12 ARG 23 HH12 ARG 23 0.039 10.098 -16.774
198 HH21 ARG 23 HH21 ARG 23 2.337 7.508 -16.583
199 HH22 ARG 23 HH22 ARG 23 1.978 9.138 -16.118
200 H ALA 24 HN ALA 24 -1.789 0.661 -16.306
201 HA ALA 24 HA ALA 24 0.984 -0.291 -16.200
202 HB1 ALA 24 HB1 ALA 24 -1.578 -1.059 -14.881
203 HB2 ALA 24 HB2 ALA 24 0.030 -0.860 -14.185
204 HB3 ALA 24 HB3 ALA 24 -0.358 -2.313 -15.108
Start of MODEL 13
1 H MET 1 HN MET 1 2.789 -9.453 -7.119
2 HA MET 1 HA MET 1 0.304 -9.858 -6.334
3 HB2 MET 1 HB2 MET 1 0.168 -11.823 -7.869
4 HB3 MET 1 HB1 MET 1 1.350 -12.650 -6.854
5 HG2 MET 1 HG2 MET 1 -0.129 -12.617 -4.961
6 HG3 MET 1 HG1 MET 1 -1.253 -11.536 -5.784
7 HE1 MET 1 HE1 MET 1 -2.047 -14.971 -4.633
8 HE2 MET 1 HE2 MET 1 -3.458 -14.384 -5.511
9 HE3 MET 1 HE3 MET 1 -2.504 -13.265 -4.540
10 H ALA 2 HN ALA 2 0.629 -9.262 -4.293
11 HA ALA 2 HA ALA 2 2.857 -10.450 -2.784
12 HB1 ALA 2 HB1 ALA 2 1.740 -7.826 -2.937
13 HB2 ALA 2 HB2 ALA 2 3.138 -8.368 -2.009
14 HB3 ALA 2 HB3 ALA 2 1.528 -8.422 -1.291
15 HA PRO 3 HA PRO 3 0.190 -12.773 -0.175
16 HB2 PRO 3 HB2 PRO 3 1.315 -12.467 2.302
17 HB3 PRO 3 HB1 PRO 3 2.049 -13.442 1.015
18 HG2 PRO 3 HG2 PRO 3 2.709 -10.680 1.907
19 HG3 PRO 3 HG1 PRO 3 3.786 -11.995 1.409
20 HD2 PRO 3 HD2 PRO 3 3.115 -9.911 -0.239
21 HD3 PRO 3 HD1 PRO 3 3.541 -11.529 -0.837
22 H ARG 4 HN ARG 4 -0.622 -9.997 -0.661
23 HA ARG 4 HA ARG 4 -1.970 -8.320 0.202
24 HB2 ARG 4 HB2 ARG 4 -3.407 -10.443 -0.109
25 HB3 ARG 4 HB1 ARG 4 -3.353 -10.568 1.651
26 HG2 ARG 4 HG2 ARG 4 -4.164 -8.168 1.745
27 HG3 ARG 4 HG1 ARG 4 -4.440 -8.270 0.006
28 HD2 ARG 4 HD2 ARG 4 -5.640 -10.576 0.959
29 HD3 ARG 4 HD1 ARG 4 -6.008 -9.394 2.212
30 HE ARG 4 HE ARG 4 -6.594 -8.084 -0.120
31 HH11 ARG 4 HH11 ARG 4 -8.651 -8.146 -1.083
32 HH12 ARG 4 HH12 ARG 4 -9.703 -9.487 -0.779
33 HH21 ARG 4 HH21 ARG 4 -7.462 -11.117 1.304
34 HH22 ARG 4 HH22 ARG 4 -9.030 -11.169 0.573
35 H GLY 5 HN GLY 5 0.140 -7.948 1.605
36 HA2 GLY 5 HA2 GLY 5 -0.825 -7.497 4.327
37 HA3 GLY 5 HA1 GLY 5 0.626 -8.480 4.162
38 H PHE 6 HN PHE 6 2.478 -7.516 3.050
39 HA PHE 6 HA PHE 6 3.094 -4.940 4.022
40 HB2 PHE 6 HB2 PHE 6 4.440 -7.043 2.597
41 HB3 PHE 6 HB1 PHE 6 4.799 -5.494 1.835
42 HD1 PHE 6 HD1 PHE 6 5.904 -3.692 3.083
43 HD2 PHE 6 HD2 PHE 6 5.105 -7.503 4.896
44 HE1 PHE 6 HE1 PHE 6 7.455 -3.136 4.937
45 HE2 PHE 6 HE2 PHE 6 6.656 -6.948 6.749
46 HZ PHE 6 HZ PHE 6 7.831 -4.763 6.770
47 H SER 7 HN SER 7 2.812 -5.954 0.608
48 HA SER 7 HA SER 7 2.631 -3.295 -0.374
49 HB2 SER 7 HB2 SER 7 2.215 -6.023 -1.510
50 HB3 SER 7 HB1 SER 7 1.595 -4.641 -2.408
51 HG SER 7 HG SER 7 3.950 -3.903 -1.674
52 H CYS 8 HN CYS 8 0.469 -5.007 1.440
53 HA CYS 8 HA CYS 8 -1.961 -4.157 0.098
54 HB2 CYS 8 HB2 CYS 8 -1.675 -6.305 1.467
55 HB3 CYS 8 HB1 CYS 8 -1.761 -5.270 2.892
56 HG CYS 8 HG CYS 8 -4.161 -4.501 2.084
57 H LEU 9 HN LEU 9 -0.338 -3.426 3.198
58 HA LEU 9 HA LEU 9 -2.152 -1.321 3.868
59 HB2 LEU 9 HB2 LEU 9 -0.679 -0.858 5.709
60 HB3 LEU 9 HB1 LEU 9 -0.761 -2.610 5.521
61 HG LEU 9 HG LEU 9 1.336 -1.926 3.856
62 HD11 LEU 9 HD11 LEU 9 1.304 0.387 4.731
63 HD12 LEU 9 HD12 LEU 9 2.784 -0.451 5.197
64 HD13 LEU 9 HD13 LEU 9 1.485 -0.237 6.371
65 HD21 LEU 9 HD21 LEU 9 2.743 -2.898 5.650
66 HD22 LEU 9 HD22 LEU 9 1.254 -3.817 5.432
67 HD23 LEU 9 HD23 LEU 9 1.411 -2.701 6.789
68 H LEU 10 HN LEU 10 0.607 -1.535 1.827
69 HA LEU 10 HA LEU 10 1.412 1.204 1.931
70 HB2 LEU 10 HB2 LEU 10 1.927 -1.097 0.077
71 HB3 LEU 10 HB1 LEU 10 2.384 0.533 -0.413
72 HG LEU 10 HG LEU 10 3.159 -0.384 2.328
73 HD11 LEU 10 HD11 LEU 10 4.043 -2.260 1.293
74 HD12 LEU 10 HD12 LEU 10 5.365 -1.121 1.041
75 HD13 LEU 10 HD13 LEU 10 4.222 -1.446 -0.261
76 HD21 LEU 10 HD21 LEU 10 3.599 1.931 1.560
77 HD22 LEU 10 HD22 LEU 10 4.516 1.299 0.193
78 HD23 LEU 10 HD23 LEU 10 5.104 1.056 1.838
79 H LEU 11 HN LEU 11 -0.936 -0.622 0.068
80 HA LEU 11 HA LEU 11 -1.483 1.542 -1.770
81 HB2 LEU 11 HB2 LEU 11 -1.775 -0.796 -2.467
82 HB3 LEU 11 HB1 LEU 11 -3.007 -1.018 -1.223
83 HG LEU 11 HG LEU 11 -3.507 1.314 -2.930
84 HD11 LEU 11 HD11 LEU 11 -3.389 -1.467 -4.126
85 HD12 LEU 11 HD12 LEU 11 -2.534 -0.029 -4.682
86 HD13 LEU 11 HD13 LEU 11 -4.287 -0.133 -4.851
87 HD21 LEU 11 HD21 LEU 11 -5.758 0.371 -2.927
88 HD22 LEU 11 HD22 LEU 11 -5.098 0.281 -1.294
89 HD23 LEU 11 HD23 LEU 11 -5.147 -1.162 -2.305
90 H LEU 12 HN LEU 12 -2.577 0.537 1.349
91 HA LEU 12 HA LEU 12 -5.118 1.877 1.268
92 HB2 LEU 12 HB2 LEU 12 -3.451 0.575 3.390
93 HB3 LEU 12 HB1 LEU 12 -4.788 1.622 3.864
94 HG LEU 12 HG LEU 12 -5.274 -0.453 1.760
95 HD11 LEU 12 HD11 LEU 12 -4.381 -1.967 3.267
96 HD12 LEU 12 HD12 LEU 12 -6.025 -1.855 3.896
97 HD13 LEU 12 HD13 LEU 12 -4.725 -0.942 4.661
98 HD21 LEU 12 HD21 LEU 12 -7.494 -0.171 2.376
99 HD22 LEU 12 HD22 LEU 12 -6.863 1.426 2.779
100 HD23 LEU 12 HD23 LEU 12 -7.087 0.221 4.047
101 H THR 13 HN THR 13 -2.219 3.174 0.943
102 HA THR 13 HA THR 13 -2.989 5.640 2.359
103 HB THR 13 HB THR 13 -0.553 5.972 2.925
104 HG1 THR 13 HG1 THR 13 0.813 4.339 2.643
105 HG21 THR 13 HG21 THR 13 -2.219 5.226 4.595
106 HG22 THR 13 HG22 THR 13 -0.639 4.505 4.895
107 HG23 THR 13 HG23 THR 13 -1.914 3.550 4.138
108 H DSN 14 HN DSE 14 -1.649 4.030 -0.361
109 HA DSN 14 HA DSE 14 -1.542 6.566 -1.815
110 HB2 DSN 14 HB1 DSE 14 -0.918 4.090 -3.276
111 HB3 DSN 14 HB2 DSE 14 -2.075 5.362 -3.656
112 HG DSN 14 HG DSE 14 -3.125 3.413 -3.127
113 H GLU 15 HN GLU 15 0.497 3.645 -1.556
114 HA GLU 15 HA GLU 15 2.870 5.366 -1.982
115 HB2 GLU 15 HB2 GLU 15 2.389 3.083 -0.089
116 HB3 GLU 15 HB1 GLU 15 4.021 3.427 -0.665
117 HG2 GLU 15 HG2 GLU 15 2.413 5.739 0.307
118 HG3 GLU 15 HG1 GLU 15 3.004 4.606 1.522
119 H ILE 16 HN ILE 16 1.655 2.029 -2.234
120 HA ILE 16 HA ILE 16 3.599 1.326 -4.228
121 HB ILE 16 HB ILE 16 2.788 -0.301 -2.569
122 HG12 ILE 16 HG12 ILE 16 1.595 -1.516 -4.924
123 HG13 ILE 16 HG11 ILE 16 3.090 -0.670 -5.317
124 HG21 ILE 16 HG21 ILE 16 0.213 -0.740 -3.858
125 HG22 ILE 16 HG22 ILE 16 0.331 0.869 -3.147
126 HG23 ILE 16 HG23 ILE 16 0.588 -0.559 -2.144
127 HD11 ILE 16 HD11 ILE 16 2.766 -2.716 -3.105
128 HD12 ILE 16 HD12 ILE 16 4.259 -1.873 -3.516
129 HD13 ILE 16 HD13 ILE 16 3.545 -3.011 -4.660
130 H ASP 17 HN ASP 17 1.914 3.564 -4.883
131 HA ASP 17 HA ASP 17 0.123 2.501 -6.957
132 HB2 ASP 17 HB2 ASP 17 0.327 5.049 -5.444
133 HB3 ASP 17 HB1 ASP 17 -0.243 5.161 -7.108
134 H LEU 18 HN LEU 18 3.199 2.723 -6.934
135 HA LEU 18 HA LEU 18 3.577 4.464 -9.262
136 HB2 LEU 18 HB2 LEU 18 5.927 3.018 -8.255
137 HB3 LEU 18 HB1 LEU 18 5.713 4.730 -8.598
138 HG LEU 18 HG LEU 18 4.712 3.291 -6.121
139 HD11 LEU 18 HD11 LEU 18 6.989 5.210 -6.639
140 HD12 LEU 18 HD12 LEU 18 7.080 3.580 -5.971
141 HD13 LEU 18 HD13 LEU 18 6.359 4.881 -5.025
142 HD21 LEU 18 HD21 LEU 18 4.013 5.834 -7.378
143 HD22 LEU 18 HD22 LEU 18 4.634 6.056 -5.742
144 HD23 LEU 18 HD23 LEU 18 3.242 5.010 -6.023
145 HA PRO 19 HA PRO 19 4.874 0.256 -11.023
146 HB2 PRO 19 HB2 PRO 19 4.417 -2.021 -9.632
147 HB3 PRO 19 HB1 PRO 19 5.854 -1.017 -9.367
148 HG2 PRO 19 HG2 PRO 19 3.422 -1.303 -7.716
149 HG3 PRO 19 HG1 PRO 19 5.086 -0.946 -7.231
150 HD2 PRO 19 HD2 PRO 19 2.990 0.926 -7.512
151 HD3 PRO 19 HD1 PRO 19 4.711 1.298 -7.311
152 H VAL 20 HN VAL 20 2.116 1.454 -10.580
153 HA VAL 20 HA VAL 20 0.643 -0.612 -12.052
154 HB VAL 20 HB VAL 20 0.097 -0.747 -9.566
155 HG11 VAL 20 HG11 VAL 20 -0.883 1.016 -8.472
156 HG12 VAL 20 HG12 VAL 20 -1.664 1.625 -9.931
157 HG13 VAL 20 HG13 VAL 20 0.047 1.947 -9.646
158 HG21 VAL 20 HG21 VAL 20 -1.690 -0.573 -11.883
159 HG22 VAL 20 HG22 VAL 20 -2.518 -0.252 -10.360
160 HG23 VAL 20 HG23 VAL 20 -1.648 -1.768 -10.587
161 H LYS 21 HN LYS 21 1.900 1.898 -12.809
162 HA LYS 21 HA LYS 21 -0.439 3.163 -14.023
163 HB2 LYS 21 HB2 LYS 21 -0.180 4.537 -12.073
164 HB3 LYS 21 HB1 LYS 21 1.565 4.636 -12.306
165 HG2 LYS 21 HG2 LYS 21 1.393 6.174 -14.006
166 HG3 LYS 21 HG1 LYS 21 -0.147 5.528 -14.574
167 HD2 LYS 21 HD2 LYS 21 -1.382 6.690 -12.958
168 HD3 LYS 21 HD1 LYS 21 0.015 6.894 -11.899
169 HE2 LYS 21 HE2 LYS 21 0.967 8.564 -13.307
170 HE3 LYS 21 HE1 LYS 21 -0.132 8.178 -14.632
171 HZ1 LYS 21 HZ1 LYS 21 -0.800 9.461 -12.044
172 HZ2 LYS 21 HZ2 LYS 21 -1.976 8.869 -13.118
173 HZ3 LYS 21 HZ3 LYS 21 -0.941 10.128 -13.598
174 H ARG 22 HN ARG 22 2.902 4.300 -13.698
175 HA ARG 22 HA ARG 22 3.763 3.311 -16.237
176 HB2 ARG 22 HB2 ARG 22 2.099 5.342 -16.641
177 HB3 ARG 22 HB1 ARG 22 3.541 6.287 -16.266
178 HG2 ARG 22 HG2 ARG 22 4.798 5.020 -17.994
179 HG3 ARG 22 HG1 ARG 22 3.323 4.140 -18.398
180 HD2 ARG 22 HD2 ARG 22 2.752 6.952 -18.386
181 HD3 ARG 22 HD1 ARG 22 4.171 6.667 -19.388
182 HE ARG 22 HE ARG 22 2.371 4.734 -20.162
183 HH11 ARG 22 HH11 ARG 22 0.917 5.055 -21.877
184 HH12 ARG 22 HH12 ARG 22 0.450 6.664 -22.319
185 HH21 ARG 22 HH21 ARG 22 2.396 8.183 -19.885
186 HH22 ARG 22 HH22 ARG 22 1.287 8.435 -21.191
187 H ARG 23 HN ARG 23 5.956 3.805 -16.668
188 HA ARG 23 HA ARG 23 7.409 4.755 -14.292
189 HB2 ARG 23 HB2 ARG 23 8.158 3.015 -16.634
190 HB3 ARG 23 HB1 ARG 23 9.389 3.735 -15.597
191 HG2 ARG 23 HG2 ARG 23 7.149 2.412 -14.180
192 HG3 ARG 23 HG1 ARG 23 8.220 1.338 -15.079
193 HD2 ARG 23 HD2 ARG 23 10.154 2.158 -13.898
194 HD3 ARG 23 HD1 ARG 23 9.214 3.440 -13.142
195 HE ARG 23 HE ARG 23 8.510 1.899 -11.562
196 HH11 ARG 23 HH11 ARG 23 8.373 -0.178 -10.654
197 HH12 ARG 23 HH12 ARG 23 8.857 -1.557 -11.584
198 HH21 ARG 23 HH21 ARG 23 9.725 0.301 -14.380
199 HH22 ARG 23 HH22 ARG 23 9.622 -1.286 -13.693
200 H ALA 24 HN ALA 24 9.038 6.315 -14.440
201 HA ALA 24 HA ALA 24 10.047 8.236 -15.194
202 HB1 ALA 24 HB1 ALA 24 11.000 8.126 -17.265
203 HB2 ALA 24 HB2 ALA 24 9.496 7.640 -18.048
204 HB3 ALA 24 HB3 ALA 24 10.458 6.451 -17.168
Start of MODEL 14
1 H MET 1 HN MET 1 7.449 -12.333 -0.243
2 HA MET 1 HA MET 1 7.854 -9.721 -1.581
3 HB2 MET 1 HB2 MET 1 7.080 -11.250 -3.629
4 HB3 MET 1 HB1 MET 1 8.769 -11.148 -3.130
5 HG2 MET 1 HG2 MET 1 8.706 -13.220 -2.035
6 HG3 MET 1 HG1 MET 1 6.949 -13.194 -1.883
7 HE1 MET 1 HE1 MET 1 6.533 -15.821 -3.193
8 HE2 MET 1 HE2 MET 1 8.074 -15.531 -2.390
9 HE3 MET 1 HE3 MET 1 8.049 -16.242 -4.003
10 H ALA 2 HN ALA 2 6.066 -8.682 -0.705
11 HA ALA 2 HA ALA 2 3.840 -8.181 -0.347
12 HB1 ALA 2 HB1 ALA 2 3.821 -9.331 -3.134
13 HB2 ALA 2 HB2 ALA 2 3.939 -7.635 -2.669
14 HB3 ALA 2 HB3 ALA 2 2.436 -8.519 -2.408
15 HA PRO 3 HA PRO 3 2.573 -12.497 0.688
16 HB2 PRO 3 HB2 PRO 3 2.720 -12.298 3.387
17 HB3 PRO 3 HB1 PRO 3 4.144 -12.635 2.384
18 HG2 PRO 3 HG2 PRO 3 3.325 -10.122 3.718
19 HG3 PRO 3 HG1 PRO 3 4.945 -10.759 3.396
20 HD2 PRO 3 HD2 PRO 3 3.619 -8.778 1.888
21 HD3 PRO 3 HD1 PRO 3 5.073 -9.667 1.390
22 H ARG 4 HN ARG 4 0.967 -10.151 0.049
23 HA ARG 4 HA ARG 4 -1.212 -9.443 0.223
24 HB2 ARG 4 HB2 ARG 4 -1.433 -12.053 0.430
25 HB3 ARG 4 HB1 ARG 4 -1.824 -11.687 2.111
26 HG2 ARG 4 HG2 ARG 4 -3.507 -9.987 1.192
27 HG3 ARG 4 HG1 ARG 4 -3.266 -10.757 -0.377
28 HD2 ARG 4 HD2 ARG 4 -4.314 -12.030 2.159
29 HD3 ARG 4 HD1 ARG 4 -5.163 -11.826 0.629
30 HE ARG 4 HE ARG 4 -3.368 -13.953 1.299
31 HH11 ARG 4 HH11 ARG 4 -2.889 -15.444 -0.346
32 HH12 ARG 4 HH12 ARG 4 -3.210 -15.037 -1.998
33 HH21 ARG 4 HH21 ARG 4 -4.466 -11.891 -1.254
34 HH22 ARG 4 HH22 ARG 4 -4.103 -13.025 -2.512
35 H GLY 5 HN GLY 5 0.759 -8.430 2.046
36 HA2 GLY 5 HA2 GLY 5 -1.039 -7.372 4.082
37 HA3 GLY 5 HA1 GLY 5 0.359 -8.259 4.683
38 H PHE 6 HN PHE 6 2.502 -7.492 4.036
39 HA PHE 6 HA PHE 6 2.998 -4.851 4.576
40 HB2 PHE 6 HB2 PHE 6 4.508 -7.079 3.622
41 HB3 PHE 6 HB1 PHE 6 4.953 -5.661 2.672
42 HD1 PHE 6 HD1 PHE 6 4.536 -6.904 6.165
43 HD2 PHE 6 HD2 PHE 6 6.283 -3.933 3.600
44 HE1 PHE 6 HE1 PHE 6 5.867 -6.040 8.071
45 HE2 PHE 6 HE2 PHE 6 7.614 -3.070 5.507
46 HZ PHE 6 HZ PHE 6 7.406 -4.125 7.743
47 H SER 7 HN SER 7 2.883 -6.277 1.303
48 HA SER 7 HA SER 7 2.856 -3.656 0.070
49 HB2 SER 7 HB2 SER 7 3.943 -5.756 -0.902
50 HB3 SER 7 HB1 SER 7 2.312 -6.294 -1.290
51 HG SER 7 HG SER 7 3.755 -4.073 -2.250
52 H CYS 8 HN CYS 8 0.594 -4.989 1.815
53 HA CYS 8 HA CYS 8 -1.634 -4.539 -0.066
54 HB2 CYS 8 HB2 CYS 8 -1.197 -6.556 1.797
55 HB3 CYS 8 HB1 CYS 8 -2.368 -5.497 2.584
56 HG CYS 8 HG CYS 8 -3.486 -5.777 -0.068
57 H LEU 9 HN LEU 9 -0.270 -3.511 3.018
58 HA LEU 9 HA LEU 9 -2.433 -1.668 3.566
59 HB2 LEU 9 HB2 LEU 9 -1.092 -1.005 5.498
60 HB3 LEU 9 HB1 LEU 9 -1.174 -2.765 5.393
61 HG LEU 9 HG LEU 9 1.043 -2.136 3.844
62 HD11 LEU 9 HD11 LEU 9 2.392 -0.612 5.159
63 HD12 LEU 9 HD12 LEU 9 1.127 -0.477 6.380
64 HD13 LEU 9 HD13 LEU 9 0.874 0.199 4.770
65 HD21 LEU 9 HD21 LEU 9 0.784 -2.955 6.751
66 HD22 LEU 9 HD22 LEU 9 2.303 -3.012 5.857
67 HD23 LEU 9 HD23 LEU 9 0.946 -4.019 5.354
68 H LEU 10 HN LEU 10 0.484 -1.625 1.760
69 HA LEU 10 HA LEU 10 0.917 1.226 1.913
70 HB2 LEU 10 HB2 LEU 10 2.035 -0.890 0.057
71 HB3 LEU 10 HB1 LEU 10 2.568 0.787 0.092
72 HG LEU 10 HG LEU 10 2.646 -1.095 2.470
73 HD11 LEU 10 HD11 LEU 10 5.225 -0.627 1.950
74 HD12 LEU 10 HD12 LEU 10 4.602 -0.451 0.310
75 HD13 LEU 10 HD13 LEU 10 4.356 -1.960 1.189
76 HD21 LEU 10 HD21 LEU 10 3.315 1.790 2.036
77 HD22 LEU 10 HD22 LEU 10 4.375 0.855 3.088
78 HD23 LEU 10 HD23 LEU 10 2.658 0.991 3.465
79 H LEU 11 HN LEU 11 -1.170 -0.839 0.208
80 HA LEU 11 HA LEU 11 -1.460 0.814 -2.148
81 HB2 LEU 11 HB2 LEU 11 -1.886 -1.734 -1.930
82 HB3 LEU 11 HB1 LEU 11 -3.437 -1.264 -1.234
83 HG LEU 11 HG LEU 11 -3.357 0.348 -3.436
84 HD11 LEU 11 HD11 LEU 11 -2.280 -2.294 -4.416
85 HD12 LEU 11 HD12 LEU 11 -1.196 -0.956 -4.036
86 HD13 LEU 11 HD13 LEU 11 -2.419 -0.771 -5.292
87 HD21 LEU 11 HD21 LEU 11 -4.761 -1.551 -4.497
88 HD22 LEU 11 HD22 LEU 11 -5.304 -0.910 -2.945
89 HD23 LEU 11 HD23 LEU 11 -4.433 -2.442 -3.011
90 H LEU 12 HN LEU 12 -2.394 1.133 1.019
91 HA LEU 12 HA LEU 12 -4.897 2.538 0.362
92 HB2 LEU 12 HB2 LEU 12 -5.679 1.587 2.233
93 HB3 LEU 12 HB1 LEU 12 -4.123 0.812 2.488
94 HG LEU 12 HG LEU 12 -3.343 2.896 3.676
95 HD11 LEU 12 HD11 LEU 12 -5.826 3.895 2.607
96 HD12 LEU 12 HD12 LEU 12 -4.596 4.773 3.517
97 HD13 LEU 12 HD13 LEU 12 -5.903 3.949 4.368
98 HD21 LEU 12 HD21 LEU 12 -4.146 0.994 4.955
99 HD22 LEU 12 HD22 LEU 12 -5.820 1.494 4.714
100 HD23 LEU 12 HD23 LEU 12 -4.741 2.476 5.705
101 H THR 13 HN THR 13 -1.733 2.938 1.854
102 HA THR 13 HA THR 13 -2.150 5.650 2.665
103 HB THR 13 HB THR 13 0.189 5.656 3.202
104 HG1 THR 13 HG1 THR 13 1.104 3.374 2.406
105 HG21 THR 13 HG21 THR 13 0.386 3.550 4.501
106 HG22 THR 13 HG22 THR 13 -0.985 2.890 3.610
107 HG23 THR 13 HG23 THR 13 -1.210 4.281 4.670
108 H DSN 14 HN DSE 14 -1.623 4.189 -0.344
109 HA DSN 14 HA DSE 14 -1.227 6.808 -1.580
110 HB2 DSN 14 HB1 DSE 14 -2.886 4.866 -2.291
111 HB3 DSN 14 HB2 DSE 14 -1.473 4.296 -3.174
112 HG DSN 14 HG DSE 14 -2.481 5.683 -4.531
113 H GLU 15 HN GLU 15 0.632 4.143 -0.619
114 HA GLU 15 HA GLU 15 3.039 5.263 -1.666
115 HB2 GLU 15 HB2 GLU 15 2.272 3.106 0.127
116 HB3 GLU 15 HB1 GLU 15 3.608 2.638 -0.927
117 HG2 GLU 15 HG2 GLU 15 3.556 5.240 0.619
118 HG3 GLU 15 HG1 GLU 15 4.295 3.765 1.239
119 H ILE 16 HN ILE 16 1.605 2.037 -2.251
120 HA ILE 16 HA ILE 16 3.145 1.692 -4.662
121 HB ILE 16 HB ILE 16 0.851 0.074 -3.528
122 HG12 ILE 16 HG12 ILE 16 3.824 -0.507 -3.491
123 HG13 ILE 16 HG11 ILE 16 2.989 0.290 -2.158
124 HG21 ILE 16 HG21 ILE 16 2.338 -0.056 -6.040
125 HG22 ILE 16 HG22 ILE 16 0.885 -0.930 -5.554
126 HG23 ILE 16 HG23 ILE 16 2.476 -1.547 -5.107
127 HD11 ILE 16 HD11 ILE 16 3.081 -2.082 -1.677
128 HD12 ILE 16 HD12 ILE 16 2.422 -2.472 -3.265
129 HD13 ILE 16 HD13 ILE 16 1.412 -1.665 -2.066
130 H ASP 17 HN ASP 17 1.843 4.011 -5.028
131 HA ASP 17 HA ASP 17 -0.536 3.433 -6.661
132 HB2 ASP 17 HB2 ASP 17 -0.225 5.369 -4.847
133 HB3 ASP 17 HB1 ASP 17 0.432 6.216 -6.245
134 H LEU 18 HN LEU 18 2.322 2.866 -7.405
135 HA LEU 18 HA LEU 18 2.695 4.698 -9.661
136 HB2 LEU 18 HB2 LEU 18 4.631 2.507 -9.339
137 HB3 LEU 18 HB1 LEU 18 4.899 4.234 -9.555
138 HG LEU 18 HG LEU 18 4.070 2.898 -6.958
139 HD11 LEU 18 HD11 LEU 18 6.387 3.914 -6.327
140 HD12 LEU 18 HD12 LEU 18 6.678 3.892 -8.066
141 HD13 LEU 18 HD13 LEU 18 6.334 2.389 -7.211
142 HD21 LEU 18 HD21 LEU 18 5.012 5.486 -6.485
143 HD22 LEU 18 HD22 LEU 18 3.326 4.968 -6.429
144 HD23 LEU 18 HD23 LEU 18 3.989 5.654 -7.913
145 HA PRO 19 HA PRO 19 2.153 0.549 -11.886
146 HB2 PRO 19 HB2 PRO 19 1.364 -1.654 -10.526
147 HB3 PRO 19 HB1 PRO 19 3.060 -1.137 -10.591
148 HG2 PRO 19 HG2 PRO 19 1.106 -0.927 -8.386
149 HG3 PRO 19 HG1 PRO 19 2.866 -1.098 -8.329
150 HD2 PRO 19 HD2 PRO 19 1.394 1.300 -7.996
151 HD3 PRO 19 HD1 PRO 19 3.151 1.155 -8.188
152 H VAL 20 HN VAL 20 -0.187 0.486 -9.188
153 HA VAL 20 HA VAL 20 -2.407 -0.209 -10.853
154 HB VAL 20 HB VAL 20 -3.744 0.356 -8.810
155 HG11 VAL 20 HG11 VAL 20 -2.686 -1.888 -9.211
156 HG12 VAL 20 HG12 VAL 20 -2.891 -1.501 -7.502
157 HG13 VAL 20 HG13 VAL 20 -1.303 -1.353 -8.256
158 HG21 VAL 20 HG21 VAL 20 -1.514 0.560 -7.003
159 HG22 VAL 20 HG22 VAL 20 -2.857 1.683 -7.220
160 HG23 VAL 20 HG23 VAL 20 -1.403 1.846 -8.205
161 H LYS 21 HN LYS 21 -1.031 2.050 -11.893
162 HA LYS 21 HA LYS 21 -2.724 4.358 -11.293
163 HB2 LYS 21 HB2 LYS 21 -0.374 4.833 -11.536
164 HB3 LYS 21 HB1 LYS 21 -0.319 4.006 -13.093
165 HG2 LYS 21 HG2 LYS 21 -1.623 5.681 -14.153
166 HG3 LYS 21 HG1 LYS 21 -2.156 6.354 -12.612
167 HD2 LYS 21 HD2 LYS 21 0.105 7.138 -12.128
168 HD3 LYS 21 HD1 LYS 21 0.710 6.381 -13.603
169 HE2 LYS 21 HE2 LYS 21 -0.893 7.830 -14.905
170 HE3 LYS 21 HE1 LYS 21 -1.257 8.677 -13.402
171 HZ1 LYS 21 HZ1 LYS 21 0.427 9.954 -14.236
172 HZ2 LYS 21 HZ2 LYS 21 1.225 8.646 -14.969
173 HZ3 LYS 21 HZ3 LYS 21 1.322 8.871 -13.288
174 H ARG 22 HN ARG 22 -1.501 3.315 -14.448
175 HA ARG 22 HA ARG 22 -2.552 2.987 -16.465
176 HB2 ARG 22 HB2 ARG 22 -3.886 1.383 -14.858
177 HB3 ARG 22 HB1 ARG 22 -5.177 2.563 -15.091
178 HG2 ARG 22 HG2 ARG 22 -5.590 1.143 -16.878
179 HG3 ARG 22 HG1 ARG 22 -4.507 2.308 -17.641
180 HD2 ARG 22 HD2 ARG 22 -3.447 0.350 -18.252
181 HD3 ARG 22 HD1 ARG 22 -2.645 0.650 -16.713
182 HE ARG 22 HE ARG 22 -5.057 -0.970 -16.552
183 HH11 ARG 22 HH11 ARG 22 -4.724 -3.091 -15.812
184 HH12 ARG 22 HH12 ARG 22 -3.116 -3.729 -15.721
185 HH21 ARG 22 HH21 ARG 22 -1.617 -0.833 -16.901
186 HH22 ARG 22 HH22 ARG 22 -1.357 -2.450 -16.338
187 H ARG 23 HN ARG 23 -5.512 3.563 -16.738
188 HA ARG 23 HA ARG 23 -5.206 6.392 -17.335
189 HB2 ARG 23 HB2 ARG 23 -7.443 4.420 -17.845
190 HB3 ARG 23 HB1 ARG 23 -7.501 6.117 -18.326
191 HG2 ARG 23 HG2 ARG 23 -6.084 5.790 -20.067
192 HG3 ARG 23 HG1 ARG 23 -5.021 4.750 -19.119
193 HD2 ARG 23 HD2 ARG 23 -6.470 2.849 -19.450
194 HD3 ARG 23 HD1 ARG 23 -7.707 3.858 -20.194
195 HE ARG 23 HE ARG 23 -5.316 4.119 -21.671
196 HH11 ARG 23 HH11 ARG 23 -5.107 2.971 -23.619
197 HH12 ARG 23 HH12 ARG 23 -6.109 1.589 -23.916
198 HH21 ARG 23 HH21 ARG 23 -7.775 1.815 -20.882
199 HH22 ARG 23 HH22 ARG 23 -7.619 0.935 -22.366
200 H ALA 24 HN ALA 24 -8.411 5.749 -16.722
201 HA ALA 24 HA ALA 24 -8.312 7.315 -14.236
202 HB1 ALA 24 HB1 ALA 24 -10.765 6.626 -15.855
203 HB2 ALA 24 HB2 ALA 24 -9.744 8.015 -16.225
204 HB3 ALA 24 HB3 ALA 24 -10.571 7.919 -14.670
Start of MODEL 15
1 H MET 1 HN MET 1 7.389 -9.091 -6.547
2 HA MET 1 HA MET 1 4.649 -8.667 -7.162
3 HB2 MET 1 HB2 MET 1 5.923 -10.655 -5.265
4 HB3 MET 1 HB1 MET 1 4.258 -10.722 -5.845
5 HG2 MET 1 HG2 MET 1 4.879 -11.340 -7.981
6 HG3 MET 1 HG1 MET 1 6.428 -10.502 -7.886
7 HE1 MET 1 HE1 MET 1 5.314 -14.604 -6.160
8 HE2 MET 1 HE2 MET 1 4.458 -13.735 -7.432
9 HE3 MET 1 HE3 MET 1 4.458 -13.101 -5.788
10 H ALA 2 HN ALA 2 2.868 -8.637 -5.592
11 HA ALA 2 HA ALA 2 3.546 -7.371 -3.021
12 HB1 ALA 2 HB1 ALA 2 2.064 -6.172 -5.262
13 HB2 ALA 2 HB2 ALA 2 2.932 -5.403 -3.931
14 HB3 ALA 2 HB3 ALA 2 1.299 -6.023 -3.679
15 HA PRO 3 HA PRO 3 0.518 -10.775 -2.279
16 HB2 PRO 3 HB2 PRO 3 1.230 -10.086 0.524
17 HB3 PRO 3 HB1 PRO 3 1.194 -11.668 -0.274
18 HG2 PRO 3 HG2 PRO 3 3.486 -10.427 0.317
19 HG3 PRO 3 HG1 PRO 3 3.301 -11.438 -1.127
20 HD2 PRO 3 HD2 PRO 3 3.412 -8.460 -0.918
21 HD3 PRO 3 HD1 PRO 3 3.961 -9.524 -2.231
22 H ARG 4 HN ARG 4 -0.718 -10.401 0.345
23 HA ARG 4 HA ARG 4 -2.412 -8.038 -0.201
24 HB2 ARG 4 HB2 ARG 4 -3.239 -10.700 0.986
25 HB3 ARG 4 HB1 ARG 4 -4.294 -9.305 0.749
26 HG2 ARG 4 HG2 ARG 4 -3.568 -9.422 -1.730
27 HG3 ARG 4 HG1 ARG 4 -2.986 -11.042 -1.344
28 HD2 ARG 4 HD2 ARG 4 -5.118 -11.657 -1.863
29 HD3 ARG 4 HD1 ARG 4 -5.456 -11.131 -0.216
30 HE ARG 4 HE ARG 4 -6.595 -9.301 -1.090
31 HH11 ARG 4 HH11 ARG 4 -7.436 -8.069 -2.803
32 HH12 ARG 4 HH12 ARG 4 -6.857 -8.327 -4.414
33 HH21 ARG 4 HH21 ARG 4 -4.631 -10.824 -3.498
34 HH22 ARG 4 HH22 ARG 4 -5.269 -9.887 -4.808
35 H GLY 5 HN GLY 5 -0.147 -7.774 1.359
36 HA2 GLY 5 HA2 GLY 5 -1.332 -7.000 3.897
37 HA3 GLY 5 HA1 GLY 5 -0.067 -8.221 4.007
38 H PHE 6 HN PHE 6 2.075 -7.678 3.364
39 HA PHE 6 HA PHE 6 3.101 -5.298 4.231
40 HB2 PHE 6 HB2 PHE 6 4.089 -7.556 2.832
41 HB3 PHE 6 HB1 PHE 6 4.657 -6.127 1.968
42 HD1 PHE 6 HD1 PHE 6 4.626 -7.871 5.234
43 HD2 PHE 6 HD2 PHE 6 6.209 -4.577 2.976
44 HE1 PHE 6 HE1 PHE 6 6.312 -7.466 7.006
45 HE2 PHE 6 HE2 PHE 6 7.895 -4.172 4.749
46 HZ PHE 6 HZ PHE 6 7.946 -5.616 6.764
47 H SER 7 HN SER 7 2.197 -6.079 0.874
48 HA SER 7 HA SER 7 2.706 -3.365 -0.005
49 HB2 SER 7 HB2 SER 7 3.167 -5.054 -1.617
50 HB3 SER 7 HB1 SER 7 1.604 -5.826 -1.360
51 HG SER 7 HG SER 7 1.676 -3.137 -2.138
52 H CYS 8 HN CYS 8 0.119 -5.064 1.411
53 HA CYS 8 HA CYS 8 -2.042 -3.601 0.216
54 HB2 CYS 8 HB2 CYS 8 -2.171 -5.885 1.361
55 HB3 CYS 8 HB1 CYS 8 -2.118 -5.001 2.886
56 HG CYS 8 HG CYS 8 -4.523 -5.162 1.023
57 H LEU 9 HN LEU 9 -0.366 -3.428 3.359
58 HA LEU 9 HA LEU 9 -1.842 -1.170 4.285
59 HB2 LEU 9 HB2 LEU 9 -0.205 -1.069 6.073
60 HB3 LEU 9 HB1 LEU 9 -0.633 -2.755 5.780
61 HG LEU 9 HG LEU 9 1.467 -2.347 4.029
62 HD11 LEU 9 HD11 LEU 9 1.845 -0.131 5.177
63 HD12 LEU 9 HD12 LEU 9 3.224 -1.227 5.263
64 HD13 LEU 9 HD13 LEU 9 2.172 -1.021 6.663
65 HD21 LEU 9 HD21 LEU 9 1.258 -4.344 5.327
66 HD22 LEU 9 HD22 LEU 9 1.349 -3.450 6.845
67 HD23 LEU 9 HD23 LEU 9 2.780 -3.606 5.826
68 H LEU 10 HN LEU 10 0.721 -1.524 2.049
69 HA LEU 10 HA LEU 10 1.687 1.209 2.393
70 HB2 LEU 10 HB2 LEU 10 2.467 -1.035 0.519
71 HB3 LEU 10 HB1 LEU 10 3.186 0.569 0.454
72 HG LEU 10 HG LEU 10 3.172 -1.201 2.915
73 HD11 LEU 10 HD11 LEU 10 5.482 -0.577 1.061
74 HD12 LEU 10 HD12 LEU 10 4.544 -2.069 0.983
75 HD13 LEU 10 HD13 LEU 10 5.483 -1.690 2.428
76 HD21 LEU 10 HD21 LEU 10 5.216 0.608 3.188
77 HD22 LEU 10 HD22 LEU 10 3.612 0.811 3.891
78 HD23 LEU 10 HD23 LEU 10 4.004 1.581 2.355
79 H LEU 11 HN LEU 11 -0.286 -0.722 0.227
80 HA LEU 11 HA LEU 11 -0.559 1.356 -1.757
81 HB2 LEU 11 HB2 LEU 11 -0.734 -1.015 -2.381
82 HB3 LEU 11 HB1 LEU 11 -2.143 -1.192 -1.335
83 HG LEU 11 HG LEU 11 -2.397 1.061 -3.185
84 HD11 LEU 11 HD11 LEU 11 -2.087 -1.750 -4.281
85 HD12 LEU 11 HD12 LEU 11 -1.094 -0.348 -4.681
86 HD13 LEU 11 HD13 LEU 11 -2.784 -0.403 -5.181
87 HD21 LEU 11 HD21 LEU 11 -4.198 -0.008 -1.785
88 HD22 LEU 11 HD22 LEU 11 -4.072 -1.439 -2.806
89 HD23 LEU 11 HD23 LEU 11 -4.600 0.094 -3.499
90 H LEU 12 HN LEU 12 -2.691 -0.089 0.710
91 HA LEU 12 HA LEU 12 -5.000 1.328 0.347
92 HB2 LEU 12 HB2 LEU 12 -3.619 0.265 2.770
93 HB3 LEU 12 HB1 LEU 12 -5.012 1.322 3.002
94 HG LEU 12 HG LEU 12 -5.209 -0.917 1.018
95 HD11 LEU 12 HD11 LEU 12 -5.320 -1.157 4.031
96 HD12 LEU 12 HD12 LEU 12 -4.382 -2.129 2.898
97 HD13 LEU 12 HD13 LEU 12 -6.136 -2.302 2.965
98 HD21 LEU 12 HD21 LEU 12 -7.325 -0.088 2.967
99 HD22 LEU 12 HD22 LEU 12 -7.490 -0.606 1.289
100 HD23 LEU 12 HD23 LEU 12 -6.925 1.024 1.657
101 H THR 13 HN THR 13 -1.932 2.560 1.330
102 HA THR 13 HA THR 13 -3.048 5.058 2.353
103 HB THR 13 HB THR 13 -0.634 5.661 2.668
104 HG1 THR 13 HG1 THR 13 0.182 3.081 2.330
105 HG21 THR 13 HG21 THR 13 -0.309 4.184 4.545
106 HG22 THR 13 HG22 THR 13 -1.355 2.959 3.828
107 HG23 THR 13 HG23 THR 13 -2.040 4.481 4.399
108 H DSN 14 HN DSE 14 -0.969 3.958 -0.317
109 HA DSN 14 HA DSE 14 -1.391 6.546 -1.663
110 HB2 DSN 14 HB1 DSE 14 -1.565 3.965 -3.193
111 HB3 DSN 14 HB2 DSE 14 -2.149 5.564 -3.650
112 HG DSN 14 HG DSE 14 -3.970 4.984 -2.834
113 H GLU 15 HN GLU 15 0.681 4.088 -0.687
114 HA GLU 15 HA GLU 15 2.955 5.346 -1.879
115 HB2 GLU 15 HB2 GLU 15 2.830 2.630 -0.562
116 HB3 GLU 15 HB1 GLU 15 4.254 3.644 -0.774
117 HG2 GLU 15 HG2 GLU 15 2.301 5.240 0.525
118 HG3 GLU 15 HG1 GLU 15 2.327 3.688 1.359
119 H ILE 16 HN ILE 16 1.803 1.968 -2.195
120 HA ILE 16 HA ILE 16 3.290 1.584 -4.624
121 HB ILE 16 HB ILE 16 1.029 -0.162 -3.669
122 HG12 ILE 16 HG12 ILE 16 2.359 0.183 -1.698
123 HG13 ILE 16 HG11 ILE 16 2.853 -1.369 -2.369
124 HG21 ILE 16 HG21 ILE 16 3.568 -1.268 -4.690
125 HG22 ILE 16 HG22 ILE 16 2.659 -0.311 -5.860
126 HG23 ILE 16 HG23 ILE 16 1.908 -1.707 -5.088
127 HD11 ILE 16 HD11 ILE 16 4.673 -0.029 -3.627
128 HD12 ILE 16 HD12 ILE 16 4.897 -0.279 -1.896
129 HD13 ILE 16 HD13 ILE 16 4.307 1.271 -2.492
130 H ASP 17 HN ASP 17 1.907 3.787 -5.170
131 HA ASP 17 HA ASP 17 -0.226 2.874 -7.007
132 HB2 ASP 17 HB2 ASP 17 -0.295 4.911 -4.923
133 HB3 ASP 17 HB1 ASP 17 -0.769 5.539 -6.500
134 H LEU 18 HN LEU 18 2.820 4.111 -6.791
135 HA LEU 18 HA LEU 18 2.546 5.857 -9.138
136 HB2 LEU 18 HB2 LEU 18 5.220 5.572 -7.957
137 HB3 LEU 18 HB1 LEU 18 4.318 7.024 -8.383
138 HG LEU 18 HG LEU 18 3.875 5.333 -5.902
139 HD11 LEU 18 HD11 LEU 18 5.828 6.583 -5.522
140 HD12 LEU 18 HD12 LEU 18 4.553 7.603 -4.853
141 HD13 LEU 18 HD13 LEU 18 5.234 7.966 -6.441
142 HD21 LEU 18 HD21 LEU 18 1.811 6.254 -5.932
143 HD22 LEU 18 HD22 LEU 18 2.225 7.289 -7.299
144 HD23 LEU 18 HD23 LEU 18 2.596 7.808 -5.655
145 HA PRO 19 HA PRO 19 5.643 2.598 -10.653
146 HB2 PRO 19 HB2 PRO 19 6.075 0.341 -9.209
147 HB3 PRO 19 HB1 PRO 19 6.949 1.854 -8.904
148 HG2 PRO 19 HG2 PRO 19 4.758 0.599 -7.376
149 HG3 PRO 19 HG1 PRO 19 6.080 1.635 -6.820
150 HD2 PRO 19 HD2 PRO 19 3.412 2.433 -7.286
151 HD3 PRO 19 HD1 PRO 19 4.796 3.505 -7.006
152 H VAL 20 HN VAL 20 2.562 1.904 -9.453
153 HA VAL 20 HA VAL 20 2.229 -0.455 -11.191
154 HB VAL 20 HB VAL 20 -0.043 -0.519 -9.935
155 HG11 VAL 20 HG11 VAL 20 1.372 -2.265 -9.378
156 HG12 VAL 20 HG12 VAL 20 1.317 -1.414 -7.834
157 HG13 VAL 20 HG13 VAL 20 2.690 -1.187 -8.918
158 HG21 VAL 20 HG21 VAL 20 1.507 0.998 -7.848
159 HG22 VAL 20 HG22 VAL 20 -0.228 0.693 -7.934
160 HG23 VAL 20 HG23 VAL 20 0.516 1.869 -9.019
161 H LYS 21 HN LYS 21 2.423 2.334 -12.137
162 HA LYS 21 HA LYS 21 0.092 2.302 -13.850
163 HB2 LYS 21 HB2 LYS 21 -0.297 3.658 -11.545
164 HB3 LYS 21 HB1 LYS 21 0.430 4.930 -12.526
165 HG2 LYS 21 HG2 LYS 21 -1.228 4.419 -14.330
166 HG3 LYS 21 HG1 LYS 21 -2.004 3.270 -13.240
167 HD2 LYS 21 HD2 LYS 21 -2.144 5.246 -11.576
168 HD3 LYS 21 HD1 LYS 21 -1.807 6.269 -12.972
169 HE2 LYS 21 HE2 LYS 21 -4.168 6.180 -12.889
170 HE3 LYS 21 HE1 LYS 21 -3.739 4.999 -14.126
171 HZ1 LYS 21 HZ1 LYS 21 -4.662 4.546 -11.370
172 HZ2 LYS 21 HZ2 LYS 21 -3.702 3.373 -12.138
173 HZ3 LYS 21 HZ3 LYS 21 -5.195 3.827 -12.811
174 H ARG 22 HN ARG 22 3.074 3.819 -12.781
175 HA ARG 22 HA ARG 22 3.424 5.527 -15.031
176 HB2 ARG 22 HB2 ARG 22 4.615 5.654 -12.771
177 HB3 ARG 22 HB1 ARG 22 5.650 4.357 -13.366
178 HG2 ARG 22 HG2 ARG 22 6.900 6.106 -14.152
179 HG3 ARG 22 HG1 ARG 22 5.754 6.027 -15.491
180 HD2 ARG 22 HD2 ARG 22 5.694 8.295 -14.884
181 HD3 ARG 22 HD1 ARG 22 4.297 7.622 -14.048
182 HE ARG 22 HE ARG 22 6.454 7.432 -12.289
183 HH11 ARG 22 HH11 ARG 22 6.780 9.024 -10.702
184 HH12 ARG 22 HH12 ARG 22 6.105 10.605 -10.916
185 HH21 ARG 22 HH21 ARG 22 4.658 9.861 -13.978
186 HH22 ARG 22 HH22 ARG 22 4.905 11.079 -12.771
187 H ARG 23 HN ARG 23 3.634 4.843 -17.059
188 HA ARG 23 HA ARG 23 4.867 2.226 -17.583
189 HB2 ARG 23 HB2 ARG 23 2.752 3.773 -18.807
190 HB3 ARG 23 HB1 ARG 23 3.982 3.349 -19.999
191 HG2 ARG 23 HG2 ARG 23 2.278 1.577 -19.845
192 HG3 ARG 23 HG1 ARG 23 3.845 0.984 -19.295
193 HD2 ARG 23 HD2 ARG 23 3.037 0.557 -17.239
194 HD3 ARG 23 HD1 ARG 23 2.387 2.188 -17.102
195 HE ARG 23 HE ARG 23 0.651 0.825 -18.777
196 HH11 ARG 23 HH11 ARG 23 -1.218 -0.180 -17.965
197 HH12 ARG 23 HH12 ARG 23 -1.290 -0.644 -16.299
198 HH21 ARG 23 HH21 ARG 23 1.894 0.515 -15.563
199 HH22 ARG 23 HH22 ARG 23 0.472 -0.250 -14.938
200 H ALA 24 HN ALA 24 4.854 5.294 -19.395
201 HA ALA 24 HA ALA 24 7.748 5.484 -19.274
202 HB1 ALA 24 HB1 ALA 24 8.062 4.254 -21.141
203 HB2 ALA 24 HB2 ALA 24 7.420 5.655 -21.999
204 HB3 ALA 24 HB3 ALA 24 6.354 4.316 -21.576
Start of MODEL 16
1 H MET 1 HN MET 1 4.040 -12.616 -5.892
2 HA MET 1 HA MET 1 5.098 -10.576 -5.682
3 HB2 MET 1 HB2 MET 1 3.394 -10.066 -8.114
4 HB3 MET 1 HB1 MET 1 4.409 -8.802 -7.417
5 HG2 MET 1 HG2 MET 1 6.347 -9.802 -8.094
6 HG3 MET 1 HG1 MET 1 5.728 -11.428 -7.803
7 HE1 MET 1 HE1 MET 1 5.159 -8.673 -11.355
8 HE2 MET 1 HE2 MET 1 5.394 -8.285 -9.653
9 HE3 MET 1 HE3 MET 1 3.785 -8.694 -10.242
10 H ALA 2 HN ALA 2 4.819 -8.852 -4.353
11 HA ALA 2 HA ALA 2 3.740 -7.608 -2.739
12 HB1 ALA 2 HB1 ALA 2 1.536 -6.571 -3.977
13 HB2 ALA 2 HB2 ALA 2 2.576 -6.979 -5.345
14 HB3 ALA 2 HB3 ALA 2 3.166 -5.904 -4.077
15 HA PRO 3 HA PRO 3 0.406 -10.588 -1.766
16 HB2 PRO 3 HB2 PRO 3 0.963 -10.909 0.872
17 HB3 PRO 3 HB1 PRO 3 1.843 -11.776 -0.401
18 HG2 PRO 3 HG2 PRO 3 2.674 -9.446 1.221
19 HG3 PRO 3 HG1 PRO 3 3.644 -10.768 0.556
20 HD2 PRO 3 HD2 PRO 3 3.437 -8.193 -0.534
21 HD3 PRO 3 HD1 PRO 3 4.058 -9.626 -1.378
22 H ARG 4 HN ARG 4 -1.376 -10.469 -0.168
23 HA ARG 4 HA ARG 4 -2.438 -7.824 -0.010
24 HB2 ARG 4 HB2 ARG 4 -4.370 -8.858 1.016
25 HB3 ARG 4 HB1 ARG 4 -3.823 -9.886 -0.309
26 HG2 ARG 4 HG2 ARG 4 -2.353 -10.903 1.743
27 HG3 ARG 4 HG1 ARG 4 -3.806 -10.396 2.608
28 HD2 ARG 4 HD2 ARG 4 -4.224 -12.635 1.891
29 HD3 ARG 4 HD1 ARG 4 -5.146 -11.599 0.806
30 HE ARG 4 HE ARG 4 -2.778 -11.919 -0.503
31 HH11 ARG 4 HH11 ARG 4 -2.355 -13.631 -1.934
32 HH12 ARG 4 HH12 ARG 4 -3.207 -15.128 -1.762
33 HH21 ARG 4 HH21 ARG 4 -5.056 -14.064 0.973
34 HH22 ARG 4 HH22 ARG 4 -4.738 -15.373 -0.116
35 H GLY 5 HN GLY 5 0.010 -7.916 1.345
36 HA2 GLY 5 HA2 GLY 5 -0.863 -7.140 4.043
37 HA3 GLY 5 HA1 GLY 5 0.453 -8.301 3.888
38 H PHE 6 HN PHE 6 2.369 -7.628 2.698
39 HA PHE 6 HA PHE 6 3.454 -5.221 3.556
40 HB2 PHE 6 HB2 PHE 6 4.282 -7.419 1.953
41 HB3 PHE 6 HB1 PHE 6 4.678 -5.940 1.076
42 HD1 PHE 6 HD1 PHE 6 5.239 -7.870 4.164
43 HD2 PHE 6 HD2 PHE 6 6.244 -4.310 1.983
44 HE1 PHE 6 HE1 PHE 6 7.150 -7.475 5.692
45 HE2 PHE 6 HE2 PHE 6 8.157 -3.913 3.510
46 HZ PHE 6 HZ PHE 6 8.611 -5.497 5.366
47 H SER 7 HN SER 7 1.793 -5.999 0.530
48 HA SER 7 HA SER 7 2.174 -3.308 -0.508
49 HB2 SER 7 HB2 SER 7 0.271 -5.256 -1.735
50 HB3 SER 7 HB1 SER 7 1.361 -4.113 -2.513
51 HG SER 7 HG SER 7 1.759 -6.692 -1.911
52 H CYS 8 HN CYS 8 -0.273 -5.188 1.129
53 HA CYS 8 HA CYS 8 -2.547 -3.653 0.575
54 HB2 CYS 8 HB2 CYS 8 -1.786 -5.712 2.444
55 HB3 CYS 8 HB1 CYS 8 -2.768 -4.490 3.251
56 HG CYS 8 HG CYS 8 -4.173 -6.439 1.887
57 H LEU 9 HN LEU 9 -0.175 -3.316 3.231
58 HA LEU 9 HA LEU 9 -1.450 -1.067 4.406
59 HB2 LEU 9 HB2 LEU 9 0.587 -0.776 5.683
60 HB3 LEU 9 HB1 LEU 9 0.216 -2.496 5.583
61 HG LEU 9 HG LEU 9 1.763 -2.107 3.338
62 HD11 LEU 9 HD11 LEU 9 3.001 -0.503 5.595
63 HD12 LEU 9 HD12 LEU 9 2.259 0.221 4.170
64 HD13 LEU 9 HD13 LEU 9 3.693 -0.790 3.999
65 HD21 LEU 9 HD21 LEU 9 2.580 -2.892 6.152
66 HD22 LEU 9 HD22 LEU 9 3.560 -3.191 4.717
67 HD23 LEU 9 HD23 LEU 9 1.986 -3.970 4.890
68 H LEU 10 HN LEU 10 0.806 -1.420 1.760
69 HA LEU 10 HA LEU 10 1.558 1.351 1.650
70 HB2 LEU 10 HB2 LEU 10 1.773 -0.895 -0.367
71 HB3 LEU 10 HB1 LEU 10 2.446 0.714 -0.612
72 HG LEU 10 HG LEU 10 3.125 -1.083 1.736
73 HD11 LEU 10 HD11 LEU 10 5.363 -0.667 0.055
74 HD12 LEU 10 HD12 LEU 10 4.030 -1.146 -0.995
75 HD13 LEU 10 HD13 LEU 10 4.509 -2.181 0.350
76 HD21 LEU 10 HD21 LEU 10 5.168 0.643 1.581
77 HD22 LEU 10 HD22 LEU 10 3.712 1.016 2.501
78 HD23 LEU 10 HD23 LEU 10 3.919 1.670 0.880
79 H LEU 11 HN LEU 11 -0.745 -0.710 -0.095
80 HA LEU 11 HA LEU 11 -1.681 1.334 -1.842
81 HB2 LEU 11 HB2 LEU 11 -2.193 -1.447 -1.384
82 HB3 LEU 11 HB1 LEU 11 -3.732 -0.585 -1.428
83 HG LEU 11 HG LEU 11 -3.029 0.495 -3.563
84 HD11 LEU 11 HD11 LEU 11 -0.496 -0.572 -2.778
85 HD12 LEU 11 HD12 LEU 11 -0.866 0.431 -4.180
86 HD13 LEU 11 HD13 LEU 11 -0.953 -1.327 -4.305
87 HD21 LEU 11 HD21 LEU 11 -3.030 -2.532 -3.411
88 HD22 LEU 11 HD22 LEU 11 -3.099 -1.647 -4.936
89 HD23 LEU 11 HD23 LEU 11 -4.397 -1.471 -3.756
90 H LEU 12 HN LEU 12 -2.754 0.118 1.303
91 HA LEU 12 HA LEU 12 -5.205 1.316 1.593
92 HB2 LEU 12 HB2 LEU 12 -3.170 0.301 3.352
93 HB3 LEU 12 HB1 LEU 12 -3.854 1.777 4.034
94 HG LEU 12 HG LEU 12 -5.510 -0.541 2.995
95 HD11 LEU 12 HD11 LEU 12 -4.282 0.038 5.643
96 HD12 LEU 12 HD12 LEU 12 -4.705 -1.510 4.914
97 HD13 LEU 12 HD13 LEU 12 -5.956 -0.515 5.656
98 HD21 LEU 12 HD21 LEU 12 -6.132 2.162 3.586
99 HD22 LEU 12 HD22 LEU 12 -6.778 1.200 4.914
100 HD23 LEU 12 HD23 LEU 12 -7.263 0.850 3.255
101 H THR 13 HN THR 13 -2.070 2.832 1.497
102 HA THR 13 HA THR 13 -3.273 5.447 2.154
103 HB THR 13 HB THR 13 -1.137 6.194 2.777
104 HG1 THR 13 HG1 THR 13 0.412 4.119 2.059
105 HG21 THR 13 HG21 THR 13 -2.070 4.417 4.282
106 HG22 THR 13 HG22 THR 13 -0.311 4.534 4.339
107 HG23 THR 13 HG23 THR 13 -1.080 3.236 3.425
108 H DSN 14 HN DSE 14 -0.898 4.016 -0.094
109 HA DSN 14 HA DSE 14 -1.648 6.073 -2.083
110 HB2 DSN 14 HB1 DSE 14 -2.438 3.507 -2.324
111 HB3 DSN 14 HB2 DSE 14 -0.850 3.400 -3.078
112 HG DSN 14 HG DSE 14 -2.924 4.179 -4.285
113 H GLU 15 HN GLU 15 0.787 4.047 -0.637
114 HA GLU 15 HA GLU 15 2.885 5.810 -1.461
115 HB2 GLU 15 HB2 GLU 15 2.577 3.504 0.312
116 HB3 GLU 15 HB1 GLU 15 4.132 3.539 -0.521
117 HG2 GLU 15 HG2 GLU 15 2.987 5.963 0.878
118 HG3 GLU 15 HG1 GLU 15 4.026 4.800 1.699
119 H ILE 16 HN ILE 16 2.563 2.285 -1.993
120 HA ILE 16 HA ILE 16 4.147 2.595 -4.455
121 HB ILE 16 HB ILE 16 3.321 0.019 -3.108
122 HG12 ILE 16 HG12 ILE 16 4.558 1.265 -1.450
123 HG13 ILE 16 HG11 ILE 16 5.663 0.083 -2.149
124 HG21 ILE 16 HG21 ILE 16 5.871 0.194 -4.542
125 HG22 ILE 16 HG22 ILE 16 4.476 0.525 -5.570
126 HG23 ILE 16 HG23 ILE 16 4.579 -0.998 -4.688
127 HD11 ILE 16 HD11 ILE 16 6.924 2.075 -2.138
128 HD12 ILE 16 HD12 ILE 16 5.543 3.057 -2.627
129 HD13 ILE 16 HD13 ILE 16 6.320 1.986 -3.791
130 H ASP 17 HN ASP 17 2.103 3.630 -5.344
131 HA ASP 17 HA ASP 17 0.185 1.586 -6.277
132 HB2 ASP 17 HB2 ASP 17 -0.210 4.145 -5.202
133 HB3 ASP 17 HB1 ASP 17 -0.543 4.309 -6.923
134 H LEU 18 HN LEU 18 2.934 2.207 -7.354
135 HA LEU 18 HA LEU 18 2.278 3.266 -10.004
136 HB2 LEU 18 HB2 LEU 18 5.042 2.386 -9.541
137 HB3 LEU 18 HB1 LEU 18 4.428 3.913 -10.169
138 HG LEU 18 HG LEU 18 4.488 3.105 -7.243
139 HD11 LEU 18 HD11 LEU 18 6.404 4.380 -8.994
140 HD12 LEU 18 HD12 LEU 18 6.582 3.909 -7.305
141 HD13 LEU 18 HD13 LEU 18 5.906 5.486 -7.715
142 HD21 LEU 18 HD21 LEU 18 3.019 5.150 -8.738
143 HD22 LEU 18 HD22 LEU 18 4.022 5.838 -7.462
144 HD23 LEU 18 HD23 LEU 18 2.811 4.618 -7.069
145 HA PRO 19 HA PRO 19 3.755 -1.106 -11.104
146 HB2 PRO 19 HB2 PRO 19 4.102 -2.966 -9.158
147 HB3 PRO 19 HB1 PRO 19 5.368 -1.811 -9.617
148 HG2 PRO 19 HG2 PRO 19 3.622 -1.850 -7.237
149 HG3 PRO 19 HG1 PRO 19 5.265 -1.222 -7.429
150 HD2 PRO 19 HD2 PRO 19 2.885 0.298 -7.415
151 HD3 PRO 19 HD1 PRO 19 4.496 0.871 -7.886
152 H VAL 20 HN VAL 20 1.600 -1.167 -8.278
153 HA VAL 20 HA VAL 20 0.020 -3.362 -9.230
154 HB VAL 20 HB VAL 20 -1.543 -2.650 -7.405
155 HG11 VAL 20 HG11 VAL 20 0.030 -4.214 -6.674
156 HG12 VAL 20 HG12 VAL 20 0.331 -2.867 -5.575
157 HG13 VAL 20 HG13 VAL 20 1.390 -3.129 -6.962
158 HG21 VAL 20 HG21 VAL 20 -0.241 -0.189 -7.756
159 HG22 VAL 20 HG22 VAL 20 0.327 -0.784 -6.196
160 HG23 VAL 20 HG23 VAL 20 -1.401 -0.592 -6.490
161 H LYS 21 HN LYS 21 0.339 -1.301 -11.197
162 HA LYS 21 HA LYS 21 -2.078 0.256 -11.337
163 HB2 LYS 21 HB2 LYS 21 -1.275 0.970 -13.491
164 HB3 LYS 21 HB1 LYS 21 0.109 0.911 -12.398
165 HG2 LYS 21 HG2 LYS 21 0.468 -1.489 -13.267
166 HG3 LYS 21 HG1 LYS 21 -0.645 -1.052 -14.564
167 HD2 LYS 21 HD2 LYS 21 0.899 1.046 -14.829
168 HD3 LYS 21 HD1 LYS 21 2.078 0.069 -13.955
169 HE2 LYS 21 HE2 LYS 21 2.574 -0.596 -16.109
170 HE3 LYS 21 HE1 LYS 21 1.316 -1.772 -15.732
171 HZ1 LYS 21 HZ1 LYS 21 -0.226 -0.669 -16.993
172 HZ2 LYS 21 HZ2 LYS 21 1.182 -0.361 -17.893
173 HZ3 LYS 21 HZ3 LYS 21 0.553 0.832 -16.857
174 H ARG 22 HN ARG 22 -0.873 -2.699 -12.894
175 HA ARG 22 HA ARG 22 -3.503 -3.099 -14.150
176 HB2 ARG 22 HB2 ARG 22 -0.746 -3.899 -14.774
177 HB3 ARG 22 HB1 ARG 22 -1.928 -5.192 -14.973
178 HG2 ARG 22 HG2 ARG 22 -3.303 -3.748 -16.403
179 HG3 ARG 22 HG1 ARG 22 -2.167 -2.418 -16.173
180 HD2 ARG 22 HD2 ARG 22 -1.698 -3.506 -18.301
181 HD3 ARG 22 HD1 ARG 22 -0.373 -3.821 -17.184
182 HE ARG 22 HE ARG 22 -2.066 -5.958 -16.852
183 HH11 ARG 22 HH11 ARG 22 -1.862 -7.872 -18.057
184 HH12 ARG 22 HH12 ARG 22 -1.099 -7.833 -19.612
185 HH21 ARG 22 HH21 ARG 22 -0.471 -4.425 -19.512
186 HH22 ARG 22 HH22 ARG 22 -0.312 -5.882 -20.436
187 H ARG 23 HN ARG 23 -4.071 -5.567 -14.261
188 HA ARG 23 HA ARG 23 -4.265 -6.462 -11.483
189 HB2 ARG 23 HB2 ARG 23 -5.547 -8.077 -13.588
190 HB3 ARG 23 HB1 ARG 23 -6.218 -7.440 -12.086
191 HG2 ARG 23 HG2 ARG 23 -6.178 -5.142 -13.192
192 HG3 ARG 23 HG1 ARG 23 -5.838 -5.978 -14.707
193 HD2 ARG 23 HD2 ARG 23 -8.206 -5.715 -14.644
194 HD3 ARG 23 HD1 ARG 23 -7.903 -7.401 -14.229
195 HE ARG 23 HE ARG 23 -7.979 -5.918 -11.842
196 HH11 ARG 23 HH11 ARG 23 -9.877 -5.925 -10.594
197 HH12 ARG 23 HH12 ARG 23 -11.389 -6.341 -11.329
198 HH21 ARG 23 HH21 ARG 23 -10.020 -6.869 -14.470
199 HH22 ARG 23 HH22 ARG 23 -11.469 -6.876 -13.523
200 H ALA 24 HN ALA 24 -3.215 -8.179 -10.673
201 HA ALA 24 HA ALA 24 -1.166 -9.449 -12.254
202 HB1 ALA 24 HB1 ALA 24 -1.987 -9.423 -9.400
203 HB2 ALA 24 HB2 ALA 24 -0.382 -9.270 -10.115
204 HB3 ALA 24 HB3 ALA 24 -1.133 -10.859 -9.966
Start of MODEL 17
1 H MET 1 HN MET 1 -1.241 -11.042 -6.317
2 HA MET 1 HA MET 1 1.031 -10.666 -6.202
3 HB2 MET 1 HB2 MET 1 0.166 -7.765 -6.292
4 HB3 MET 1 HB1 MET 1 1.805 -8.358 -6.568
5 HG2 MET 1 HG2 MET 1 0.769 -9.840 -8.405
6 HG3 MET 1 HG1 MET 1 -0.655 -8.809 -8.260
7 HE1 MET 1 HE1 MET 1 1.156 -7.710 -11.556
8 HE2 MET 1 HE2 MET 1 -0.200 -8.578 -10.838
9 HE3 MET 1 HE3 MET 1 1.403 -9.310 -10.840
10 H ALA 2 HN ALA 2 2.729 -10.048 -4.746
11 HA ALA 2 HA ALA 2 3.617 -9.819 -2.642
12 HB1 ALA 2 HB1 ALA 2 3.375 -7.643 -2.163
13 HB2 ALA 2 HB2 ALA 2 1.842 -8.024 -1.380
14 HB3 ALA 2 HB3 ALA 2 1.873 -7.571 -3.084
15 HA PRO 3 HA PRO 3 1.408 -12.441 0.111
16 HB2 PRO 3 HB2 PRO 3 2.276 -11.626 2.578
17 HB3 PRO 3 HB1 PRO 3 3.288 -12.532 1.439
18 HG2 PRO 3 HG2 PRO 3 3.250 -9.616 2.031
19 HG3 PRO 3 HG1 PRO 3 4.625 -10.691 1.725
20 HD2 PRO 3 HD2 PRO 3 3.604 -8.999 -0.173
21 HD3 PRO 3 HD1 PRO 3 4.415 -10.529 -0.569
22 H ARG 4 HN ARG 4 -0.029 -10.056 -0.733
23 HA ARG 4 HA ARG 4 -1.793 -8.677 -0.133
24 HB2 ARG 4 HB2 ARG 4 -2.374 -11.325 1.187
25 HB3 ARG 4 HB1 ARG 4 -3.530 -9.994 1.217
26 HG2 ARG 4 HG2 ARG 4 -2.351 -10.624 -1.433
27 HG3 ARG 4 HG1 ARG 4 -3.449 -11.835 -0.770
28 HD2 ARG 4 HD2 ARG 4 -4.128 -8.891 -0.931
29 HD3 ARG 4 HD1 ARG 4 -4.563 -10.052 -2.182
30 HE ARG 4 HE ARG 4 -5.820 -9.754 0.396
31 HH11 ARG 4 HH11 ARG 4 -7.556 -11.157 0.817
32 HH12 ARG 4 HH12 ARG 4 -7.790 -12.558 -0.173
33 HH21 ARG 4 HH21 ARG 4 -5.046 -11.913 -2.195
34 HH22 ARG 4 HH22 ARG 4 -6.368 -12.986 -1.880
35 H GLY 5 HN GLY 5 0.489 -8.203 1.472
36 HA2 GLY 5 HA2 GLY 5 -0.830 -7.160 3.873
37 HA3 GLY 5 HA1 GLY 5 0.574 -8.196 4.105
38 H PHE 6 HN PHE 6 2.582 -7.527 2.931
39 HA PHE 6 HA PHE 6 3.466 -5.030 3.668
40 HB2 PHE 6 HB2 PHE 6 4.480 -7.202 2.140
41 HB3 PHE 6 HB1 PHE 6 4.793 -5.722 1.232
42 HD1 PHE 6 HD1 PHE 6 5.254 -7.387 4.525
43 HD2 PHE 6 HD2 PHE 6 6.385 -4.107 1.992
44 HE1 PHE 6 HE1 PHE 6 7.099 -6.821 6.082
45 HE2 PHE 6 HE2 PHE 6 8.231 -3.542 3.549
46 HZ PHE 6 HZ PHE 6 8.588 -4.898 5.594
47 H SER 7 HN SER 7 2.156 -5.987 0.498
48 HA SER 7 HA SER 7 2.238 -3.241 -0.457
49 HB2 SER 7 HB2 SER 7 2.711 -4.997 -2.058
50 HB3 SER 7 HB1 SER 7 1.183 -5.794 -1.694
51 HG SER 7 HG SER 7 1.152 -3.105 -2.471
52 H CYS 8 HN CYS 8 0.192 -5.017 1.481
53 HA CYS 8 HA CYS 8 -2.317 -3.943 0.503
54 HB2 CYS 8 HB2 CYS 8 -1.726 -6.157 1.937
55 HB3 CYS 8 HB1 CYS 8 -2.161 -5.056 3.244
56 HG CYS 8 HG CYS 8 -4.465 -5.796 2.584
57 H LEU 9 HN LEU 9 -0.133 -3.383 3.246
58 HA LEU 9 HA LEU 9 -1.753 -1.327 4.412
59 HB2 LEU 9 HB2 LEU 9 0.169 -0.919 5.859
60 HB3 LEU 9 HB1 LEU 9 -0.118 -2.654 5.718
61 HG LEU 9 HG LEU 9 1.573 -2.127 3.588
62 HD11 LEU 9 HD11 LEU 9 1.890 0.168 4.640
63 HD12 LEU 9 HD12 LEU 9 3.371 -0.760 4.403
64 HD13 LEU 9 HD13 LEU 9 2.645 -0.652 6.007
65 HD21 LEU 9 HD21 LEU 9 1.781 -4.073 4.989
66 HD22 LEU 9 HD22 LEU 9 2.116 -3.085 6.411
67 HD23 LEU 9 HD23 LEU 9 3.305 -3.193 5.113
68 H LEU 10 HN LEU 10 0.603 -1.439 1.879
69 HA LEU 10 HA LEU 10 1.218 1.388 1.950
70 HB2 LEU 10 HB2 LEU 10 1.789 -0.764 -0.100
71 HB3 LEU 10 HB1 LEU 10 2.365 0.895 -0.225
72 HG LEU 10 HG LEU 10 2.954 -0.958 2.104
73 HD11 LEU 10 HD11 LEU 10 4.463 -0.307 -0.418
74 HD12 LEU 10 HD12 LEU 10 4.179 -1.881 0.327
75 HD13 LEU 10 HD13 LEU 10 5.328 -0.755 1.052
76 HD21 LEU 10 HD21 LEU 10 4.850 0.929 2.235
77 HD22 LEU 10 HD22 LEU 10 3.286 1.138 3.018
78 HD23 LEU 10 HD23 LEU 10 3.597 1.891 1.455
79 H LEU 11 HN LEU 11 -0.966 -0.756 0.223
80 HA LEU 11 HA LEU 11 -1.784 1.093 -1.773
81 HB2 LEU 11 HB2 LEU 11 -2.318 -1.585 -1.135
82 HB3 LEU 11 HB1 LEU 11 -3.875 -0.765 -1.023
83 HG LEU 11 HG LEU 11 -1.974 -0.629 -3.384
84 HD11 LEU 11 HD11 LEU 11 -3.294 -2.793 -2.946
85 HD12 LEU 11 HD12 LEU 11 -3.501 -2.043 -4.529
86 HD13 LEU 11 HD13 LEU 11 -4.740 -1.843 -3.288
87 HD21 LEU 11 HD21 LEU 11 -4.425 0.301 -4.211
88 HD22 LEU 11 HD22 LEU 11 -3.079 1.334 -3.729
89 HD23 LEU 11 HD23 LEU 11 -4.343 0.933 -2.566
90 H LEU 12 HN LEU 12 -2.901 0.392 1.498
91 HA LEU 12 HA LEU 12 -5.235 2.055 1.337
92 HB2 LEU 12 HB2 LEU 12 -3.746 0.720 3.588
93 HB3 LEU 12 HB1 LEU 12 -5.072 1.837 3.907
94 HG LEU 12 HG LEU 12 -5.564 -0.262 1.856
95 HD11 LEU 12 HD11 LEU 12 -4.427 -1.580 3.560
96 HD12 LEU 12 HD12 LEU 12 -6.159 -1.896 3.658
97 HD13 LEU 12 HD13 LEU 12 -5.390 -0.828 4.831
98 HD21 LEU 12 HD21 LEU 12 -7.224 0.709 4.201
99 HD22 LEU 12 HD22 LEU 12 -7.795 -0.157 2.774
100 HD23 LEU 12 HD23 LEU 12 -7.215 1.502 2.625
101 H THR 13 HN THR 13 -2.385 3.107 0.776
102 HA THR 13 HA THR 13 -2.764 5.616 2.254
103 HB THR 13 HB THR 13 -0.311 5.719 2.719
104 HG1 THR 13 HG1 THR 13 0.881 3.871 2.460
105 HG21 THR 13 HG21 THR 13 -0.387 4.219 4.643
106 HG22 THR 13 HG22 THR 13 -1.716 3.315 3.915
107 HG23 THR 13 HG23 THR 13 -1.962 4.984 4.431
108 H DSN 14 HN DSE 14 -1.900 3.892 -0.553
109 HA DSN 14 HA DSE 14 -1.759 6.311 -2.109
110 HB2 DSN 14 HB1 DSE 14 -0.936 3.748 -3.347
111 HB3 DSN 14 HB2 DSE 14 -2.088 4.954 -3.912
112 HG DSN 14 HG DSE 14 -3.623 3.845 -3.058
113 H GLU 15 HN GLU 15 0.510 3.642 -1.452
114 HA GLU 15 HA GLU 15 2.742 5.503 -2.026
115 HB2 GLU 15 HB2 GLU 15 2.378 3.331 0.011
116 HB3 GLU 15 HB1 GLU 15 3.998 3.701 -0.580
117 HG2 GLU 15 HG2 GLU 15 2.257 5.986 0.240
118 HG3 GLU 15 HG1 GLU 15 2.964 4.989 1.511
119 H ILE 16 HN ILE 16 1.661 2.126 -2.208
120 HA ILE 16 HA ILE 16 3.761 1.371 -4.012
121 HB ILE 16 HB ILE 16 2.820 -0.205 -2.382
122 HG12 ILE 16 HG12 ILE 16 1.803 -1.474 -4.799
123 HG13 ILE 16 HG11 ILE 16 3.345 -0.664 -5.072
124 HG21 ILE 16 HG21 ILE 16 0.408 0.941 -3.216
125 HG22 ILE 16 HG22 ILE 16 0.596 -0.408 -2.096
126 HG23 ILE 16 HG23 ILE 16 0.349 -0.715 -3.815
127 HD11 ILE 16 HD11 ILE 16 4.407 -1.893 -3.311
128 HD12 ILE 16 HD12 ILE 16 3.519 -3.076 -4.273
129 HD13 ILE 16 HD13 ILE 16 2.863 -2.519 -2.733
130 H ASP 17 HN ASP 17 2.135 3.585 -4.875
131 HA ASP 17 HA ASP 17 0.535 2.457 -7.066
132 HB2 ASP 17 HB2 ASP 17 0.109 4.617 -5.382
133 HB3 ASP 17 HB1 ASP 17 0.641 5.368 -6.886
134 H LEU 18 HN LEU 18 3.482 2.384 -6.988
135 HA LEU 18 HA LEU 18 4.211 4.252 -9.132
136 HB2 LEU 18 HB2 LEU 18 6.286 2.419 -8.147
137 HB3 LEU 18 HB1 LEU 18 6.333 4.164 -8.365
138 HG LEU 18 HG LEU 18 4.990 2.726 -6.050
139 HD11 LEU 18 HD11 LEU 18 7.357 2.554 -5.788
140 HD12 LEU 18 HD12 LEU 18 6.841 3.892 -4.761
141 HD13 LEU 18 HD13 LEU 18 7.604 4.219 -6.318
142 HD21 LEU 18 HD21 LEU 18 5.285 5.329 -5.307
143 HD22 LEU 18 HD22 LEU 18 3.810 4.688 -6.027
144 HD23 LEU 18 HD23 LEU 18 4.990 5.525 -7.034
145 HA PRO 19 HA PRO 19 5.087 0.047 -11.149
146 HB2 PRO 19 HB2 PRO 19 4.155 -2.232 -9.995
147 HB3 PRO 19 HB1 PRO 19 5.716 -1.506 -9.576
148 HG2 PRO 19 HG2 PRO 19 3.185 -1.532 -8.068
149 HG3 PRO 19 HG1 PRO 19 4.852 -1.437 -7.484
150 HD2 PRO 19 HD2 PRO 19 3.029 0.712 -7.743
151 HD3 PRO 19 HD1 PRO 19 4.762 0.835 -7.392
152 H VAL 20 HN VAL 20 2.512 1.615 -10.825
153 HA VAL 20 HA VAL 20 0.630 -0.286 -12.079
154 HB VAL 20 HB VAL 20 -0.190 0.852 -10.041
155 HG11 VAL 20 HG11 VAL 20 -0.248 3.161 -9.799
156 HG12 VAL 20 HG12 VAL 20 -0.232 3.449 -11.538
157 HG13 VAL 20 HG13 VAL 20 1.249 2.965 -10.710
158 HG21 VAL 20 HG21 VAL 20 -1.476 0.621 -12.515
159 HG22 VAL 20 HG22 VAL 20 -1.853 2.258 -11.980
160 HG23 VAL 20 HG23 VAL 20 -2.256 0.881 -10.956
161 H LYS 21 HN LYS 21 2.906 1.019 -13.397
162 HA LYS 21 HA LYS 21 1.416 2.256 -15.603
163 HB2 LYS 21 HB2 LYS 21 2.200 4.166 -14.312
164 HB3 LYS 21 HB1 LYS 21 3.832 3.501 -14.268
165 HG2 LYS 21 HG2 LYS 21 4.301 4.176 -16.384
166 HG3 LYS 21 HG1 LYS 21 2.701 3.731 -16.981
167 HD2 LYS 21 HD2 LYS 21 1.744 5.766 -15.994
168 HD3 LYS 21 HD1 LYS 21 3.321 6.207 -15.340
169 HE2 LYS 21 HE2 LYS 21 4.072 5.947 -17.876
170 HE3 LYS 21 HE1 LYS 21 2.362 6.259 -18.178
171 HZ1 LYS 21 HZ1 LYS 21 2.488 8.347 -17.273
172 HZ2 LYS 21 HZ2 LYS 21 4.027 8.220 -17.980
173 HZ3 LYS 21 HZ3 LYS 21 3.836 7.984 -16.309
174 H ARG 22 HN ARG 22 4.825 2.613 -15.487
175 HA ARG 22 HA ARG 22 5.491 0.080 -16.687
176 HB2 ARG 22 HB2 ARG 22 4.368 1.644 -18.495
177 HB3 ARG 22 HB1 ARG 22 5.956 2.413 -18.503
178 HG2 ARG 22 HG2 ARG 22 6.972 0.130 -18.842
179 HG3 ARG 22 HG1 ARG 22 5.339 -0.502 -19.049
180 HD2 ARG 22 HD2 ARG 22 5.035 1.282 -20.858
181 HD3 ARG 22 HD1 ARG 22 6.778 1.523 -20.771
182 HE ARG 22 HE ARG 22 6.429 -1.201 -21.101
183 HH11 ARG 22 HH11 ARG 22 6.469 -2.160 -23.158
184 HH12 ARG 22 HH12 ARG 22 6.097 -1.212 -24.558
185 HH21 ARG 22 HH21 ARG 22 5.545 1.704 -22.764
186 HH22 ARG 22 HH22 ARG 22 5.575 0.976 -24.336
187 H ARG 23 HN ARG 23 7.776 -0.137 -17.059
188 HA ARG 23 HA ARG 23 9.332 1.621 -15.319
189 HB2 ARG 23 HB2 ARG 23 9.659 -1.112 -16.446
190 HB3 ARG 23 HB1 ARG 23 11.131 -0.195 -16.121
191 HG2 ARG 23 HG2 ARG 23 10.431 -1.545 -14.157
192 HG3 ARG 23 HG1 ARG 23 10.414 0.184 -13.807
193 HD2 ARG 23 HD2 ARG 23 7.904 -1.029 -14.867
194 HD3 ARG 23 HD1 ARG 23 8.341 -1.394 -13.201
195 HE ARG 23 HE ARG 23 7.468 1.165 -14.238
196 HH11 ARG 23 HH11 ARG 23 7.223 2.807 -12.687
197 HH12 ARG 23 HH12 ARG 23 7.896 2.602 -11.103
198 HH21 ARG 23 HH21 ARG 23 9.203 -0.539 -11.777
199 HH22 ARG 23 HH22 ARG 23 9.018 0.706 -10.589
200 H ALA 24 HN ALA 24 9.739 0.227 -18.584
201 HA ALA 24 HA ALA 24 11.724 2.206 -19.281
202 HB1 ALA 24 HB1 ALA 24 10.457 -0.138 -20.637
203 HB2 ALA 24 HB2 ALA 24 12.165 0.221 -20.377
204 HB3 ALA 24 HB3 ALA 24 11.264 1.080 -21.626
Start of MODEL 18
1 H MET 1 HN MET 1 5.543 -11.037 -4.942
2 HA MET 1 HA MET 1 5.350 -11.450 -2.674
3 HB2 MET 1 HB2 MET 1 7.685 -10.256 -2.715
4 HB3 MET 1 HB1 MET 1 6.791 -8.903 -2.023
5 HG2 MET 1 HG2 MET 1 5.892 -10.503 -0.283
6 HG3 MET 1 HG1 MET 1 7.021 -11.708 -0.904
7 HE1 MET 1 HE1 MET 1 6.918 -11.105 1.891
8 HE2 MET 1 HE2 MET 1 6.602 -9.372 1.951
9 HE3 MET 1 HE3 MET 1 8.106 -10.009 2.612
10 H ALA 2 HN ALA 2 3.179 -11.178 -2.440
11 HA ALA 2 HA ALA 2 2.287 -8.729 -1.170
12 HB1 ALA 2 HB1 ALA 2 2.085 -8.335 -3.663
13 HB2 ALA 2 HB2 ALA 2 0.596 -8.153 -2.737
14 HB3 ALA 2 HB3 ALA 2 0.876 -9.617 -3.681
15 HA PRO 3 HA PRO 3 0.083 -12.564 0.143
16 HB2 PRO 3 HB2 PRO 3 0.979 -12.661 2.699
17 HB3 PRO 3 HB1 PRO 3 1.922 -13.304 1.341
18 HG2 PRO 3 HG2 PRO 3 2.280 -10.795 2.870
19 HG3 PRO 3 HG1 PRO 3 3.488 -11.841 2.109
20 HD2 PRO 3 HD2 PRO 3 2.479 -9.433 1.040
21 HD3 PRO 3 HD1 PRO 3 3.419 -10.653 0.156
22 H ARG 4 HN ARG 4 -0.835 -9.800 -0.013
23 HA ARG 4 HA ARG 4 -2.563 -8.499 0.763
24 HB2 ARG 4 HB2 ARG 4 -3.572 -10.884 0.934
25 HB3 ARG 4 HB1 ARG 4 -3.303 -10.704 2.668
26 HG2 ARG 4 HG2 ARG 4 -4.477 -8.349 2.236
27 HG3 ARG 4 HG1 ARG 4 -5.181 -9.224 0.876
28 HD2 ARG 4 HD2 ARG 4 -6.698 -9.572 2.668
29 HD3 ARG 4 HD1 ARG 4 -5.766 -11.063 2.567
30 HE ARG 4 HE ARG 4 -4.463 -9.353 4.375
31 HH11 ARG 4 HH11 ARG 4 -4.767 -9.653 6.605
32 HH12 ARG 4 HH12 ARG 4 -6.161 -10.506 7.176
33 HH21 ARG 4 HH21 ARG 4 -7.435 -11.086 4.004
34 HH22 ARG 4 HH22 ARG 4 -7.672 -11.318 5.703
35 H GLY 5 HN GLY 5 -0.064 -8.089 1.923
36 HA2 GLY 5 HA2 GLY 5 -0.872 -6.980 4.505
37 HA3 GLY 5 HA1 GLY 5 0.475 -8.114 4.523
38 H PHE 6 HN PHE 6 2.422 -7.560 3.421
39 HA PHE 6 HA PHE 6 3.401 -5.026 3.800
40 HB2 PHE 6 HB2 PHE 6 4.306 -7.408 2.545
41 HB3 PHE 6 HB1 PHE 6 4.633 -6.075 1.438
42 HD1 PHE 6 HD1 PHE 6 6.240 -4.364 1.969
43 HD2 PHE 6 HD2 PHE 6 5.208 -7.363 4.866
44 HE1 PHE 6 HE1 PHE 6 8.153 -3.657 3.382
45 HE2 PHE 6 HE2 PHE 6 7.120 -6.657 6.278
46 HZ PHE 6 HZ PHE 6 8.592 -4.804 5.536
47 H SER 7 HN SER 7 2.357 -6.314 0.635
48 HA SER 7 HA SER 7 2.335 -3.680 -0.543
49 HB2 SER 7 HB2 SER 7 1.614 -6.437 -1.499
50 HB3 SER 7 HB1 SER 7 1.191 -5.017 -2.452
51 HG SER 7 HG SER 7 3.714 -4.805 -1.580
52 H CYS 8 HN CYS 8 0.426 -4.748 1.727
53 HA CYS 8 HA CYS 8 -2.125 -3.974 0.472
54 HB2 CYS 8 HB2 CYS 8 -1.792 -6.137 1.884
55 HB3 CYS 8 HB1 CYS 8 -1.857 -5.044 3.266
56 HG CYS 8 HG CYS 8 -4.204 -5.486 1.254
57 H LEU 9 HN LEU 9 -0.013 -3.248 3.229
58 HA LEU 9 HA LEU 9 -1.653 -1.116 4.216
59 HB2 LEU 9 HB2 LEU 9 0.242 -0.619 5.681
60 HB3 LEU 9 HB1 LEU 9 -0.076 -2.354 5.661
61 HG LEU 9 HG LEU 9 1.688 -1.963 3.534
62 HD11 LEU 9 HD11 LEU 9 2.656 -0.425 5.962
63 HD12 LEU 9 HD12 LEU 9 2.100 0.330 4.469
64 HD13 LEU 9 HD13 LEU 9 3.539 -0.688 4.458
65 HD21 LEU 9 HD21 LEU 9 1.746 -3.880 5.006
66 HD22 LEU 9 HD22 LEU 9 2.124 -2.863 6.396
67 HD23 LEU 9 HD23 LEU 9 3.315 -3.083 5.113
68 H LEU 10 HN LEU 10 0.710 -1.409 1.726
69 HA LEU 10 HA LEU 10 1.478 1.363 1.648
70 HB2 LEU 10 HB2 LEU 10 1.736 -0.836 -0.419
71 HB3 LEU 10 HB1 LEU 10 2.483 0.755 -0.544
72 HG LEU 10 HG LEU 10 2.967 -1.207 1.721
73 HD11 LEU 10 HD11 LEU 10 4.856 -0.431 -0.513
74 HD12 LEU 10 HD12 LEU 10 3.848 -1.878 -0.568
75 HD13 LEU 10 HD13 LEU 10 5.073 -1.704 0.690
76 HD21 LEU 10 HD21 LEU 10 3.521 0.830 2.668
77 HD22 LEU 10 HD22 LEU 10 3.873 1.581 1.113
78 HD23 LEU 10 HD23 LEU 10 5.037 0.478 1.843
79 H LEU 11 HN LEU 11 -0.796 -0.685 -0.146
80 HA LEU 11 HA LEU 11 -1.664 1.382 -1.915
81 HB2 LEU 11 HB2 LEU 11 -1.894 -1.094 -2.328
82 HB3 LEU 11 HB1 LEU 11 -3.184 -1.109 -1.125
83 HG LEU 11 HG LEU 11 -3.819 1.039 -2.802
84 HD11 LEU 11 HD11 LEU 11 -2.936 -1.377 -4.414
85 HD12 LEU 11 HD12 LEU 11 -2.174 0.215 -4.441
86 HD13 LEU 11 HD13 LEU 11 -3.815 0.013 -5.053
87 HD21 LEU 11 HD21 LEU 11 -5.414 -0.510 -1.770
88 HD22 LEU 11 HD22 LEU 11 -4.823 -1.826 -2.783
89 HD23 LEU 11 HD23 LEU 11 -5.675 -0.467 -3.513
90 H LEU 12 HN LEU 12 -2.674 0.251 1.251
91 HA LEU 12 HA LEU 12 -5.159 1.662 1.317
92 HB2 LEU 12 HB2 LEU 12 -3.442 0.237 3.295
93 HB3 LEU 12 HB1 LEU 12 -4.652 1.363 3.911
94 HG LEU 12 HG LEU 12 -5.447 -0.619 1.804
95 HD11 LEU 12 HD11 LEU 12 -4.289 -1.982 3.478
96 HD12 LEU 12 HD12 LEU 12 -6.031 -2.226 3.615
97 HD13 LEU 12 HD13 LEU 12 -5.193 -1.194 4.772
98 HD21 LEU 12 HD21 LEU 12 -7.589 -0.149 2.538
99 HD22 LEU 12 HD22 LEU 12 -6.804 1.370 2.969
100 HD23 LEU 12 HD23 LEU 12 -7.069 0.134 4.200
101 H THR 13 HN THR 13 -2.284 2.955 0.879
102 HA THR 13 HA THR 13 -2.977 5.402 2.354
103 HB THR 13 HB THR 13 -0.594 5.710 2.983
104 HG1 THR 13 HG1 THR 13 -0.437 3.113 1.876
105 HG21 THR 13 HG21 THR 13 -1.820 3.121 3.973
106 HG22 THR 13 HG22 THR 13 -2.214 4.730 4.577
107 HG23 THR 13 HG23 THR 13 -0.595 4.072 4.811
108 H DSN 14 HN DSE 14 -1.913 3.826 -0.444
109 HA DSN 14 HA DSE 14 -1.773 6.327 -1.893
110 HB2 DSN 14 HB1 DSE 14 -2.278 3.569 -2.513
111 HB3 DSN 14 HB2 DSE 14 -0.998 4.176 -3.559
112 HG DSN 14 HG DSE 14 -3.628 5.112 -3.258
113 H GLU 15 HN GLU 15 0.425 3.555 -1.437
114 HA GLU 15 HA GLU 15 2.703 5.402 -1.845
115 HB2 GLU 15 HB2 GLU 15 2.288 3.042 -0.047
116 HB3 GLU 15 HB1 GLU 15 3.916 3.412 -0.618
117 HG2 GLU 15 HG2 GLU 15 2.262 5.656 0.462
118 HG3 GLU 15 HG1 GLU 15 2.957 4.512 1.610
119 H ILE 16 HN ILE 16 1.500 2.119 -2.409
120 HA ILE 16 HA ILE 16 3.579 1.479 -4.280
121 HB ILE 16 HB ILE 16 2.563 -0.233 -2.851
122 HG12 ILE 16 HG12 ILE 16 1.488 -1.169 -5.388
123 HG13 ILE 16 HG11 ILE 16 3.058 -0.391 -5.585
124 HG21 ILE 16 HG21 ILE 16 0.070 -0.466 -4.314
125 HG22 ILE 16 HG22 ILE 16 0.206 1.111 -3.538
126 HG23 ILE 16 HG23 ILE 16 0.334 -0.360 -2.574
127 HD11 ILE 16 HD11 ILE 16 3.318 -2.805 -5.109
128 HD12 ILE 16 HD12 ILE 16 2.431 -2.593 -3.599
129 HD13 ILE 16 HD13 ILE 16 4.000 -1.819 -3.816
130 H ASP 17 HN ASP 17 2.135 3.853 -4.926
131 HA ASP 17 HA ASP 17 0.418 3.089 -7.181
132 HB2 ASP 17 HB2 ASP 17 0.222 5.113 -5.328
133 HB3 ASP 17 HB1 ASP 17 0.888 5.946 -6.729
134 H LEU 18 HN LEU 18 3.324 2.654 -7.231
135 HA LEU 18 HA LEU 18 4.250 4.650 -9.161
136 HB2 LEU 18 HB2 LEU 18 6.049 2.405 -8.566
137 HB3 LEU 18 HB1 LEU 18 6.350 4.139 -8.532
138 HG LEU 18 HG LEU 18 4.900 2.560 -6.382
139 HD11 LEU 18 HD11 LEU 18 7.142 3.888 -5.354
140 HD12 LEU 18 HD12 LEU 18 7.691 3.171 -6.868
141 HD13 LEU 18 HD13 LEU 18 6.971 2.154 -5.620
142 HD21 LEU 18 HD21 LEU 18 5.596 5.054 -5.389
143 HD22 LEU 18 HD22 LEU 18 3.982 4.582 -5.919
144 HD23 LEU 18 HD23 LEU 18 5.066 5.416 -7.032
145 HA PRO 19 HA PRO 19 4.312 0.735 -11.831
146 HB2 PRO 19 HB2 PRO 19 3.197 -1.564 -10.938
147 HB3 PRO 19 HB1 PRO 19 4.854 -1.089 -10.519
148 HG2 PRO 19 HG2 PRO 19 2.398 -1.025 -8.878
149 HG3 PRO 19 HG1 PRO 19 4.082 -1.263 -8.390
150 HD2 PRO 19 HD2 PRO 19 2.605 1.140 -8.196
151 HD3 PRO 19 HD1 PRO 19 4.353 0.958 -7.971
152 H VAL 20 HN VAL 20 1.433 1.245 -9.894
153 HA VAL 20 HA VAL 20 -0.296 0.619 -12.194
154 HB VAL 20 HB VAL 20 -1.109 1.228 -9.344
155 HG11 VAL 20 HG11 VAL 20 -2.846 -0.488 -10.896
156 HG12 VAL 20 HG12 VAL 20 -2.565 1.028 -11.753
157 HG13 VAL 20 HG13 VAL 20 -3.218 1.048 -10.115
158 HG21 VAL 20 HG21 VAL 20 -1.526 -1.400 -9.549
159 HG22 VAL 20 HG22 VAL 20 0.034 -0.763 -9.029
160 HG23 VAL 20 HG23 VAL 20 -0.195 -1.279 -10.699
161 H LYS 21 HN LYS 21 1.127 2.866 -12.647
162 HA LYS 21 HA LYS 21 -0.397 5.190 -11.767
163 HB2 LYS 21 HB2 LYS 21 2.187 5.018 -12.151
164 HB3 LYS 21 HB1 LYS 21 1.766 5.287 -13.842
165 HG2 LYS 21 HG2 LYS 21 0.425 7.301 -13.079
166 HG3 LYS 21 HG1 LYS 21 1.152 7.086 -11.486
167 HD2 LYS 21 HD2 LYS 21 3.418 7.159 -12.647
168 HD3 LYS 21 HD1 LYS 21 2.560 7.697 -14.092
169 HE2 LYS 21 HE2 LYS 21 1.525 9.512 -12.580
170 HE3 LYS 21 HE1 LYS 21 2.792 9.095 -11.427
171 HZ1 LYS 21 HZ1 LYS 21 2.985 10.459 -13.980
172 HZ2 LYS 21 HZ2 LYS 21 4.208 9.322 -13.667
173 HZ3 LYS 21 HZ3 LYS 21 3.946 10.611 -12.591
174 H ARG 22 HN ARG 22 0.606 3.889 -14.943
175 HA ARG 22 HA ARG 22 -1.370 5.416 -16.353
176 HB2 ARG 22 HB2 ARG 22 0.180 3.014 -17.344
177 HB3 ARG 22 HB1 ARG 22 -0.585 4.268 -18.321
178 HG2 ARG 22 HG2 ARG 22 1.405 5.335 -18.275
179 HG3 ARG 22 HG1 ARG 22 1.049 5.702 -16.586
180 HD2 ARG 22 HD2 ARG 22 3.258 4.629 -16.805
181 HD3 ARG 22 HD1 ARG 22 2.149 3.612 -15.891
182 HE ARG 22 HE ARG 22 1.851 2.710 -18.443
183 HH11 ARG 22 HH11 ARG 22 3.141 1.082 -19.362
184 HH12 ARG 22 HH12 ARG 22 4.745 0.816 -18.765
185 HH21 ARG 22 HH21 ARG 22 4.561 3.327 -16.381
186 HH22 ARG 22 HH22 ARG 22 5.549 2.087 -17.078
187 H ARG 23 HN ARG 23 -1.647 2.695 -17.975
188 HA ARG 23 HA ARG 23 -3.437 1.292 -18.352
189 HB2 ARG 23 HB2 ARG 23 -3.662 0.726 -15.442
190 HB3 ARG 23 HB1 ARG 23 -3.548 -0.390 -16.804
191 HG2 ARG 23 HG2 ARG 23 -1.123 0.506 -17.056
192 HG3 ARG 23 HG1 ARG 23 -1.334 1.106 -15.410
193 HD2 ARG 23 HD2 ARG 23 -1.523 -1.761 -16.361
194 HD3 ARG 23 HD1 ARG 23 -0.349 -1.080 -15.238
195 HE ARG 23 HE ARG 23 -2.917 -0.655 -14.176
196 HH11 ARG 23 HH11 ARG 23 -3.694 -2.050 -12.562
197 HH12 ARG 23 HH12 ARG 23 -3.004 -3.629 -12.382
198 HH21 ARG 23 HH21 ARG 23 -0.745 -3.224 -14.983
199 HH22 ARG 23 HH22 ARG 23 -1.334 -4.293 -13.753
200 H ALA 24 HN ALA 24 -5.506 0.602 -16.437
201 HA ALA 24 HA ALA 24 -6.894 3.103 -15.867
202 HB1 ALA 24 HB1 ALA 24 -7.749 2.979 -18.013
203 HB2 ALA 24 HB2 ALA 24 -8.941 2.024 -17.131
204 HB3 ALA 24 HB3 ALA 24 -7.674 1.217 -18.054
Start of MODEL 19
1 H MET 1 HN MET 1 1.209 -8.749 -10.025
2 HA MET 1 HA MET 1 1.237 -10.509 -8.333
3 HB2 MET 1 HB2 MET 1 2.982 -10.518 -10.296
4 HB3 MET 1 HB1 MET 1 4.143 -10.215 -9.001
5 HG2 MET 1 HG2 MET 1 3.083 -12.199 -7.781
6 HG3 MET 1 HG1 MET 1 2.270 -12.570 -9.301
7 HE1 MET 1 HE1 MET 1 5.744 -11.568 -7.817
8 HE2 MET 1 HE2 MET 1 6.637 -13.051 -8.146
9 HE3 MET 1 HE3 MET 1 5.194 -13.106 -7.136
10 H ALA 2 HN ALA 2 1.028 -8.369 -6.706
11 HA ALA 2 HA ALA 2 3.360 -8.391 -4.920
12 HB1 ALA 2 HB1 ALA 2 2.840 -6.226 -4.668
13 HB2 ALA 2 HB2 ALA 2 1.325 -6.706 -3.903
14 HB3 ALA 2 HB3 ALA 2 1.386 -6.434 -5.644
15 HA PRO 3 HA PRO 3 1.445 -10.951 -1.903
16 HB2 PRO 3 HB2 PRO 3 2.097 -9.718 0.458
17 HB3 PRO 3 HB1 PRO 3 3.254 -10.639 -0.521
18 HG2 PRO 3 HG2 PRO 3 2.865 -7.698 -0.315
19 HG3 PRO 3 HG1 PRO 3 4.361 -8.634 -0.471
20 HD2 PRO 3 HD2 PRO 3 3.198 -7.313 -2.572
21 HD3 PRO 3 HD1 PRO 3 4.194 -8.772 -2.770
22 H ARG 4 HN ARG 4 0.262 -10.491 0.494
23 HA ARG 4 HA ARG 4 -1.978 -8.652 -0.115
24 HB2 ARG 4 HB2 ARG 4 -2.321 -11.118 1.559
25 HB3 ARG 4 HB1 ARG 4 -3.528 -10.218 0.641
26 HG2 ARG 4 HG2 ARG 4 -2.269 -10.926 -1.461
27 HG3 ARG 4 HG1 ARG 4 -1.369 -12.042 -0.434
28 HD2 ARG 4 HD2 ARG 4 -3.231 -13.255 -1.380
29 HD3 ARG 4 HD1 ARG 4 -3.565 -12.999 0.330
30 HE ARG 4 HE ARG 4 -4.656 -10.942 -1.384
31 HH11 ARG 4 HH11 ARG 4 -6.923 -10.858 -1.485
32 HH12 ARG 4 HH12 ARG 4 -7.860 -12.191 -0.898
33 HH21 ARG 4 HH21 ARG 4 -5.096 -14.064 0.039
34 HH22 ARG 4 HH22 ARG 4 -6.826 -14.007 -0.035
35 H GLY 5 HN GLY 5 0.419 -8.028 1.379
36 HA2 GLY 5 HA2 GLY 5 -0.855 -7.124 3.840
37 HA3 GLY 5 HA1 GLY 5 0.537 -8.185 4.046
38 H PHE 6 HN PHE 6 2.582 -7.502 3.061
39 HA PHE 6 HA PHE 6 3.428 -4.996 3.802
40 HB2 PHE 6 HB2 PHE 6 4.493 -7.180 2.258
41 HB3 PHE 6 HB1 PHE 6 4.949 -5.646 1.515
42 HD1 PHE 6 HD1 PHE 6 6.054 -3.866 2.933
43 HD2 PHE 6 HD2 PHE 6 5.463 -7.890 4.313
44 HE1 PHE 6 HE1 PHE 6 7.746 -3.505 4.709
45 HE2 PHE 6 HE2 PHE 6 7.155 -7.530 6.089
46 HZ PHE 6 HZ PHE 6 8.296 -5.337 6.288
47 H SER 7 HN SER 7 2.164 -6.001 0.644
48 HA SER 7 HA SER 7 2.358 -3.275 -0.381
49 HB2 SER 7 HB2 SER 7 2.884 -4.839 -2.043
50 HB3 SER 7 HB1 SER 7 1.594 -5.935 -1.554
51 HG SER 7 HG SER 7 1.530 -4.022 -3.390
52 H CYS 8 HN CYS 8 0.191 -5.072 1.432
53 HA CYS 8 HA CYS 8 -2.251 -3.978 0.327
54 HB2 CYS 8 HB2 CYS 8 -1.694 -6.183 1.845
55 HB3 CYS 8 HB1 CYS 8 -2.330 -5.071 3.058
56 HG CYS 8 HG CYS 8 -3.940 -6.325 0.766
57 H LEU 9 HN LEU 9 -0.140 -3.355 3.098
58 HA LEU 9 HA LEU 9 -1.859 -1.320 4.200
59 HB2 LEU 9 HB2 LEU 9 -0.043 -0.930 5.775
60 HB3 LEU 9 HB1 LEU 9 -0.317 -2.664 5.605
61 HG LEU 9 HG LEU 9 1.516 -2.140 3.603
62 HD11 LEU 9 HD11 LEU 9 2.418 -0.636 6.072
63 HD12 LEU 9 HD12 LEU 9 1.743 0.169 4.655
64 HD13 LEU 9 HD13 LEU 9 3.244 -0.748 4.518
65 HD21 LEU 9 HD21 LEU 9 3.150 -3.173 5.260
66 HD22 LEU 9 HD22 LEU 9 1.649 -4.071 5.028
67 HD23 LEU 9 HD23 LEU 9 1.865 -3.072 6.465
68 H LEU 10 HN LEU 10 0.606 -1.448 1.788
69 HA LEU 10 HA LEU 10 1.240 1.381 1.916
70 HB2 LEU 10 HB2 LEU 10 1.956 -0.776 -0.083
71 HB3 LEU 10 HB1 LEU 10 2.534 0.885 -0.177
72 HG LEU 10 HG LEU 10 2.968 -0.955 2.196
73 HD11 LEU 10 HD11 LEU 10 5.239 -1.213 1.414
74 HD12 LEU 10 HD12 LEU 10 4.964 -0.074 0.096
75 HD13 LEU 10 HD13 LEU 10 4.160 -1.644 0.087
76 HD21 LEU 10 HD21 LEU 10 3.636 1.895 1.582
77 HD22 LEU 10 HD22 LEU 10 4.845 0.945 2.443
78 HD23 LEU 10 HD23 LEU 10 3.232 1.143 3.125
79 H LEU 11 HN LEU 11 -1.050 -0.668 0.340
80 HA LEU 11 HA LEU 11 -1.673 1.215 -1.773
81 HB2 LEU 11 HB2 LEU 11 -1.923 -1.205 -2.143
82 HB3 LEU 11 HB1 LEU 11 -3.129 -1.278 -0.857
83 HG LEU 11 HG LEU 11 -3.702 0.791 -2.859
84 HD11 LEU 11 HD11 LEU 11 -3.690 -2.131 -3.672
85 HD12 LEU 11 HD12 LEU 11 -2.673 -0.863 -4.357
86 HD13 LEU 11 HD13 LEU 11 -4.420 -0.821 -4.600
87 HD21 LEU 11 HD21 LEU 11 -5.258 -1.592 -1.799
88 HD22 LEU 11 HD22 LEU 11 -5.936 -0.242 -2.710
89 HD23 LEU 11 HD23 LEU 11 -5.271 0.027 -1.098
90 H LEU 12 HN LEU 12 -2.602 0.677 1.491
91 HA LEU 12 HA LEU 12 -5.210 1.873 1.333
92 HB2 LEU 12 HB2 LEU 12 -3.385 0.979 3.524
93 HB3 LEU 12 HB1 LEU 12 -4.702 2.084 3.921
94 HG LEU 12 HG LEU 12 -5.300 -0.311 2.222
95 HD11 LEU 12 HD11 LEU 12 -5.885 -1.349 4.599
96 HD12 LEU 12 HD12 LEU 12 -4.559 -0.310 5.123
97 HD13 LEU 12 HD13 LEU 12 -4.279 -1.546 3.897
98 HD21 LEU 12 HD21 LEU 12 -6.968 0.722 4.484
99 HD22 LEU 12 HD22 LEU 12 -7.477 0.064 2.928
100 HD23 LEU 12 HD23 LEU 12 -6.844 1.707 3.026
101 H THR 13 HN THR 13 -1.962 3.039 1.648
102 HA THR 13 HA THR 13 -2.920 5.719 2.407
103 HB THR 13 HB THR 13 -0.963 5.988 3.487
104 HG1 THR 13 HG1 THR 13 0.623 6.289 2.174
105 HG21 THR 13 HG21 THR 13 -0.420 3.100 2.765
106 HG22 THR 13 HG22 THR 13 -1.579 3.593 4.000
107 HG23 THR 13 HG23 THR 13 0.134 3.967 4.198
108 H DSN 14 HN DSE 14 -1.424 3.903 -0.176
109 HA DSN 14 HA DSE 14 -1.728 6.234 -1.938
110 HB2 DSN 14 HB1 DSE 14 -2.223 3.450 -2.232
111 HB3 DSN 14 HB2 DSE 14 -0.932 3.879 -3.350
112 HG DSN 14 HG DSE 14 -3.558 4.826 -3.222
113 H GLU 15 HN GLU 15 0.616 3.637 -1.271
114 HA GLU 15 HA GLU 15 2.779 5.486 -2.090
115 HB2 GLU 15 HB2 GLU 15 2.594 3.408 0.069
116 HB3 GLU 15 HB1 GLU 15 4.162 3.801 -0.635
117 HG2 GLU 15 HG2 GLU 15 2.409 6.076 0.172
118 HG3 GLU 15 HG1 GLU 15 3.185 5.151 1.456
119 H ILE 16 HN ILE 16 1.513 2.207 -2.221
120 HA ILE 16 HA ILE 16 3.593 1.281 -3.985
121 HB ILE 16 HB ILE 16 2.598 -0.200 -2.301
122 HG12 ILE 16 HG12 ILE 16 1.513 -1.514 -4.657
123 HG13 ILE 16 HG11 ILE 16 3.069 -0.757 -4.992
124 HG21 ILE 16 HG21 ILE 16 0.368 -0.323 -2.004
125 HG22 ILE 16 HG22 ILE 16 0.095 -0.630 -3.719
126 HG23 ILE 16 HG23 ILE 16 0.236 1.026 -3.131
127 HD11 ILE 16 HD11 ILE 16 3.214 -3.133 -4.117
128 HD12 ILE 16 HD12 ILE 16 2.577 -2.525 -2.589
129 HD13 ILE 16 HD13 ILE 16 4.127 -1.941 -3.190
130 H ASP 17 HN ASP 17 2.078 3.545 -4.914
131 HA ASP 17 HA ASP 17 0.307 2.484 -6.986
132 HB2 ASP 17 HB2 ASP 17 0.976 5.226 -5.959
133 HB3 ASP 17 HB1 ASP 17 0.214 5.041 -7.536
134 H LEU 18 HN LEU 18 2.799 1.514 -7.362
135 HA LEU 18 HA LEU 18 4.030 3.195 -9.443
136 HB2 LEU 18 HB2 LEU 18 5.448 0.752 -8.635
137 HB3 LEU 18 HB1 LEU 18 6.043 2.400 -8.816
138 HG LEU 18 HG LEU 18 4.441 1.352 -6.459
139 HD11 LEU 18 HD11 LEU 18 6.632 1.951 -5.279
140 HD12 LEU 18 HD12 LEU 18 7.356 1.992 -6.887
141 HD13 LEU 18 HD13 LEU 18 6.642 0.499 -6.279
142 HD21 LEU 18 HD21 LEU 18 3.959 3.527 -6.088
143 HD22 LEU 18 HD22 LEU 18 4.950 4.029 -7.458
144 HD23 LEU 18 HD23 LEU 18 5.686 3.810 -5.871
145 HA PRO 19 HA PRO 19 3.359 -0.971 -11.619
146 HB2 PRO 19 HB2 PRO 19 1.746 -2.843 -10.461
147 HB3 PRO 19 HB1 PRO 19 3.489 -2.738 -10.163
148 HG2 PRO 19 HG2 PRO 19 1.237 -1.993 -8.429
149 HG3 PRO 19 HG1 PRO 19 2.887 -2.466 -8.004
150 HD2 PRO 19 HD2 PRO 19 1.835 0.167 -8.064
151 HD3 PRO 19 HD1 PRO 19 3.532 -0.294 -7.834
152 H VAL 20 HN VAL 20 1.501 1.355 -11.072
153 HA VAL 20 HA VAL 20 -0.865 0.314 -12.511
154 HB VAL 20 HB VAL 20 -1.432 0.978 -10.199
155 HG11 VAL 20 HG11 VAL 20 -0.993 3.849 -10.730
156 HG12 VAL 20 HG12 VAL 20 0.486 2.906 -10.535
157 HG13 VAL 20 HG13 VAL 20 -0.725 2.922 -9.253
158 HG21 VAL 20 HG21 VAL 20 -3.407 1.800 -10.944
159 HG22 VAL 20 HG22 VAL 20 -2.695 1.763 -12.556
160 HG23 VAL 20 HG23 VAL 20 -2.641 3.244 -11.602
161 H LYS 21 HN LYS 21 1.668 1.381 -13.539
162 HA LYS 21 HA LYS 21 0.569 3.656 -15.069
163 HB2 LYS 21 HB2 LYS 21 2.752 3.745 -13.254
164 HB3 LYS 21 HB1 LYS 21 3.417 3.877 -14.882
165 HG2 LYS 21 HG2 LYS 21 1.841 5.699 -15.391
166 HG3 LYS 21 HG1 LYS 21 1.153 5.562 -13.772
167 HD2 LYS 21 HD2 LYS 21 4.108 5.935 -13.994
168 HD3 LYS 21 HD1 LYS 21 3.078 7.329 -14.316
169 HE2 LYS 21 HE2 LYS 21 2.793 5.616 -11.838
170 HE3 LYS 21 HE1 LYS 21 3.802 7.061 -11.895
171 HZ1 LYS 21 HZ1 LYS 21 1.636 7.626 -11.070
172 HZ2 LYS 21 HZ2 LYS 21 0.883 6.921 -12.421
173 HZ3 LYS 21 HZ3 LYS 21 1.832 8.318 -12.606
174 H ARG 22 HN ARG 22 2.484 0.761 -14.934
175 HA ARG 22 HA ARG 22 3.586 0.949 -17.572
176 HB2 ARG 22 HB2 ARG 22 4.428 -0.489 -15.620
177 HB3 ARG 22 HB1 ARG 22 3.135 -1.611 -16.045
178 HG2 ARG 22 HG2 ARG 22 4.690 -2.487 -17.461
179 HG3 ARG 22 HG1 ARG 22 4.226 -1.139 -18.500
180 HD2 ARG 22 HD2 ARG 22 6.019 0.234 -17.361
181 HD3 ARG 22 HD1 ARG 22 6.554 -1.244 -16.567
182 HE ARG 22 HE ARG 22 6.412 -1.699 -19.352
183 HH11 ARG 22 HH11 ARG 22 8.343 -1.689 -20.549
184 HH12 ARG 22 HH12 ARG 22 9.750 -0.912 -19.907
185 HH21 ARG 22 HH21 ARG 22 8.188 0.079 -16.973
186 HH22 ARG 22 HH22 ARG 22 9.663 0.090 -17.882
187 H ARG 23 HN ARG 23 2.047 1.265 -19.127
188 HA ARG 23 HA ARG 23 -0.445 -0.122 -19.206
189 HB2 ARG 23 HB2 ARG 23 -0.183 2.035 -20.308
190 HB3 ARG 23 HB1 ARG 23 1.059 1.369 -21.369
191 HG2 ARG 23 HG2 ARG 23 -0.478 0.029 -22.538
192 HG3 ARG 23 HG1 ARG 23 -1.677 0.116 -21.247
193 HD2 ARG 23 HD2 ARG 23 -2.125 2.443 -21.735
194 HD3 ARG 23 HD1 ARG 23 -0.799 2.502 -22.893
195 HE ARG 23 HE ARG 23 -2.233 1.586 -24.461
196 HH11 ARG 23 HH11 ARG 23 -4.167 0.615 -25.151
197 HH12 ARG 23 HH12 ARG 23 -5.292 0.011 -23.980
198 HH21 ARG 23 HH21 ARG 23 -3.357 0.931 -21.253
199 HH22 ARG 23 HH22 ARG 23 -4.834 0.190 -21.774
200 H ALA 24 HN ALA 24 2.439 -0.374 -21.303
201 HA ALA 24 HA ALA 24 1.547 -3.058 -22.113
202 HB1 ALA 24 HB1 ALA 24 3.724 -2.580 -23.649
203 HB2 ALA 24 HB2 ALA 24 3.192 -0.927 -23.347
204 HB3 ALA 24 HB3 ALA 24 2.093 -2.083 -24.097
Start of MODEL 20
1 H MET 1 HN MET 1 8.822 -8.912 5.063
2 HA MET 1 HA MET 1 8.993 -9.091 2.688
3 HB2 MET 1 HB2 MET 1 11.334 -10.036 3.014
4 HB3 MET 1 HB1 MET 1 10.576 -11.624 3.130
5 HG2 MET 1 HG2 MET 1 9.448 -11.113 0.904
6 HG3 MET 1 HG1 MET 1 10.518 -9.717 0.781
7 HE1 MET 1 HE1 MET 1 9.921 -13.271 0.094
8 HE2 MET 1 HE2 MET 1 10.564 -13.541 1.711
9 HE3 MET 1 HE3 MET 1 11.446 -14.140 0.309
10 H ALA 2 HN ALA 2 6.733 -9.432 3.068
11 HA ALA 2 HA ALA 2 5.848 -12.049 2.221
12 HB1 ALA 2 HB1 ALA 2 5.610 -12.836 4.316
13 HB2 ALA 2 HB2 ALA 2 4.163 -11.828 4.325
14 HB3 ALA 2 HB3 ALA 2 5.662 -11.226 5.037
15 HA PRO 3 HA PRO 3 3.211 -8.641 0.570
16 HB2 PRO 3 HB2 PRO 3 2.243 -10.911 -1.091
17 HB3 PRO 3 HB1 PRO 3 2.775 -9.294 -1.589
18 HG2 PRO 3 HG2 PRO 3 4.280 -11.464 -1.983
19 HG3 PRO 3 HG1 PRO 3 4.984 -9.881 -1.612
20 HD2 PRO 3 HD2 PRO 3 4.700 -12.273 0.154
21 HD3 PRO 3 HD1 PRO 3 5.959 -11.018 0.138
22 H ARG 4 HN ARG 4 0.726 -9.782 -0.492
23 HA ARG 4 HA ARG 4 -1.436 -10.049 0.260
24 HB2 ARG 4 HB2 ARG 4 0.163 -12.181 1.615
25 HB3 ARG 4 HB1 ARG 4 -1.523 -11.960 2.086
26 HG2 ARG 4 HG2 ARG 4 -2.320 -12.445 -0.076
27 HG3 ARG 4 HG1 ARG 4 -0.751 -12.145 -0.821
28 HD2 ARG 4 HD2 ARG 4 -0.803 -14.288 1.223
29 HD3 ARG 4 HD1 ARG 4 -1.694 -14.631 -0.258
30 HE ARG 4 HE ARG 4 1.164 -14.480 0.021
31 HH11 ARG 4 HH11 ARG 4 2.374 -14.792 -1.877
32 HH12 ARG 4 HH12 ARG 4 1.599 -14.672 -3.421
33 HH21 ARG 4 HH21 ARG 4 -1.527 -13.969 -2.094
34 HH22 ARG 4 HH22 ARG 4 -0.610 -14.206 -3.543
35 H GLY 5 HN GLY 5 0.605 -8.311 1.845
36 HA2 GLY 5 HA2 GLY 5 -1.272 -7.311 3.743
37 HA3 GLY 5 HA1 GLY 5 0.000 -8.226 4.547
38 H PHE 6 HN PHE 6 2.285 -7.624 3.746
39 HA PHE 6 HA PHE 6 2.912 -5.041 4.483
40 HB2 PHE 6 HB2 PHE 6 4.311 -7.291 3.474
41 HB3 PHE 6 HB1 PHE 6 4.804 -5.900 2.507
42 HD1 PHE 6 HD1 PHE 6 6.341 -4.340 3.368
43 HD2 PHE 6 HD2 PHE 6 4.297 -7.003 6.047
44 HE1 PHE 6 HE1 PHE 6 7.753 -3.537 5.242
45 HE2 PHE 6 HE2 PHE 6 5.709 -6.201 7.922
46 HZ PHE 6 HZ PHE 6 7.437 -4.468 7.519
47 H SER 7 HN SER 7 2.885 -6.252 1.122
48 HA SER 7 HA SER 7 2.952 -3.582 0.042
49 HB2 SER 7 HB2 SER 7 2.934 -6.347 -1.038
50 HB3 SER 7 HB1 SER 7 2.299 -5.085 -2.089
51 HG SER 7 HG SER 7 4.415 -4.027 -1.117
52 H CYS 8 HN CYS 8 0.607 -4.875 1.703
53 HA CYS 8 HA CYS 8 -1.581 -4.212 -0.157
54 HB2 CYS 8 HB2 CYS 8 -2.782 -5.827 0.849
55 HB3 CYS 8 HB1 CYS 8 -1.272 -6.329 1.610
56 HG CYS 8 HG CYS 8 -1.891 -4.835 3.684
57 H LEU 9 HN LEU 9 -0.326 -3.502 3.085
58 HA LEU 9 HA LEU 9 -2.330 -1.518 3.644
59 HB2 LEU 9 HB2 LEU 9 -1.005 -1.037 5.633
60 HB3 LEU 9 HB1 LEU 9 -1.168 -2.782 5.432
61 HG LEU 9 HG LEU 9 1.109 -2.181 3.966
62 HD11 LEU 9 HD11 LEU 9 1.016 0.110 5.024
63 HD12 LEU 9 HD12 LEU 9 2.496 -0.785 5.369
64 HD13 LEU 9 HD13 LEU 9 1.230 -0.670 6.591
65 HD21 LEU 9 HD21 LEU 9 0.806 -3.100 6.842
66 HD22 LEU 9 HD22 LEU 9 2.285 -3.261 5.896
67 HD23 LEU 9 HD23 LEU 9 0.828 -4.127 5.409
68 H LEU 10 HN LEU 10 0.554 -1.568 1.824
69 HA LEU 10 HA LEU 10 1.154 1.255 2.133
70 HB2 LEU 10 HB2 LEU 10 2.234 -0.836 0.226
71 HB3 LEU 10 HB1 LEU 10 2.842 0.812 0.355
72 HG LEU 10 HG LEU 10 2.760 -1.180 2.643
73 HD11 LEU 10 HD11 LEU 10 5.216 -1.275 2.344
74 HD12 LEU 10 HD12 LEU 10 5.073 -0.245 0.919
75 HD13 LEU 10 HD13 LEU 10 4.366 -1.861 0.914
76 HD21 LEU 10 HD21 LEU 10 2.823 0.863 3.730
77 HD22 LEU 10 HD22 LEU 10 3.575 1.689 2.366
78 HD23 LEU 10 HD23 LEU 10 4.545 0.656 3.414
79 H LEU 11 HN LEU 11 -0.888 -0.708 0.205
80 HA LEU 11 HA LEU 11 -1.031 1.027 -2.081
81 HB2 LEU 11 HB2 LEU 11 -1.620 -1.478 -1.961
82 HB3 LEU 11 HB1 LEU 11 -3.152 -0.950 -1.264
83 HG LEU 11 HG LEU 11 -2.949 0.735 -3.404
84 HD11 LEU 11 HD11 LEU 11 -0.865 -0.647 -4.043
85 HD12 LEU 11 HD12 LEU 11 -2.079 -0.395 -5.298
86 HD13 LEU 11 HD13 LEU 11 -2.000 -1.936 -4.445
87 HD21 LEU 11 HD21 LEU 11 -4.924 -0.584 -2.784
88 HD22 LEU 11 HD22 LEU 11 -4.133 -2.060 -3.337
89 HD23 LEU 11 HD23 LEU 11 -4.571 -0.807 -4.497
90 H LEU 12 HN LEU 12 -2.921 0.574 0.876
91 HA LEU 12 HA LEU 12 -5.070 2.278 0.227
92 HB2 LEU 12 HB2 LEU 12 -3.917 1.817 2.985
93 HB3 LEU 12 HB1 LEU 12 -5.569 2.286 2.582
94 HG LEU 12 HG LEU 12 -4.240 -0.330 1.812
95 HD11 LEU 12 HD11 LEU 12 -6.198 -1.158 3.329
96 HD12 LEU 12 HD12 LEU 12 -6.174 0.486 3.971
97 HD13 LEU 12 HD13 LEU 12 -4.739 -0.532 4.097
98 HD21 LEU 12 HD21 LEU 12 -5.792 0.044 0.105
99 HD22 LEU 12 HD22 LEU 12 -6.876 0.957 1.155
100 HD23 LEU 12 HD23 LEU 12 -6.784 -0.799 1.295
101 H THR 13 HN THR 13 -2.169 2.954 2.201
102 HA THR 13 HA THR 13 -2.579 5.647 2.671
103 HB THR 13 HB THR 13 -0.127 5.828 2.888
104 HG1 THR 13 HG1 THR 13 1.140 4.095 2.279
105 HG21 THR 13 HG21 THR 13 -0.759 4.913 4.867
106 HG22 THR 13 HG22 THR 13 -0.019 3.443 4.232
107 HG23 THR 13 HG23 THR 13 -1.759 3.687 4.088
108 H DSN 14 HN DSE 14 -0.868 4.172 -0.086
109 HA DSN 14 HA DSE 14 -1.062 6.752 -1.513
110 HB2 DSN 14 HB1 DSE 14 -2.773 4.801 -2.105
111 HB3 DSN 14 HB2 DSE 14 -1.404 4.221 -3.050
112 HG DSN 14 HG DSE 14 -2.921 6.528 -3.356
113 H GLU 15 HN GLU 15 0.873 4.319 -0.374
114 HA GLU 15 HA GLU 15 3.234 5.292 -1.512
115 HB2 GLU 15 HB2 GLU 15 2.455 3.124 0.239
116 HB3 GLU 15 HB1 GLU 15 3.725 2.609 -0.873
117 HG2 GLU 15 HG2 GLU 15 3.852 5.164 0.749
118 HG3 GLU 15 HG1 GLU 15 4.581 3.644 1.262
119 H ILE 16 HN ILE 16 1.903 2.039 -2.156
120 HA ILE 16 HA ILE 16 3.278 2.004 -4.723
121 HB ILE 16 HB ILE 16 1.506 -0.137 -3.541
122 HG12 ILE 16 HG12 ILE 16 4.487 0.319 -3.189
123 HG13 ILE 16 HG11 ILE 16 3.264 0.483 -1.927
124 HG21 ILE 16 HG21 ILE 16 3.836 -0.944 -5.081
125 HG22 ILE 16 HG22 ILE 16 2.795 0.125 -6.021
126 HG23 ILE 16 HG23 ILE 16 2.140 -1.359 -5.329
127 HD11 ILE 16 HD11 ILE 16 4.534 -1.928 -2.964
128 HD12 ILE 16 HD12 ILE 16 2.774 -2.037 -2.996
129 HD13 ILE 16 HD13 ILE 16 3.610 -1.700 -1.480
130 H ASP 17 HN ASP 17 1.760 3.887 -5.308
131 HA ASP 17 HA ASP 17 -0.856 2.930 -6.254
132 HB2 ASP 17 HB2 ASP 17 -0.404 5.167 -4.947
133 HB3 ASP 17 HB1 ASP 17 0.069 5.763 -6.536
134 H LEU 18 HN LEU 18 2.121 4.463 -7.402
135 HA LEU 18 HA LEU 18 1.243 4.105 -10.182
136 HB2 LEU 18 HB2 LEU 18 3.885 5.317 -9.713
137 HB3 LEU 18 HB1 LEU 18 2.568 5.844 -10.752
138 HG LEU 18 HG LEU 18 2.584 6.176 -7.733
139 HD11 LEU 18 HD11 LEU 18 3.159 8.167 -9.939
140 HD12 LEU 18 HD12 LEU 18 4.334 7.529 -8.788
141 HD13 LEU 18 HD13 LEU 18 3.014 8.552 -8.224
142 HD21 LEU 18 HD21 LEU 18 0.646 7.584 -8.118
143 HD22 LEU 18 HD22 LEU 18 0.349 6.038 -8.910
144 HD23 LEU 18 HD23 LEU 18 0.832 7.438 -9.865
145 HA PRO 19 HA PRO 19 5.287 1.596 -10.001
146 HB2 PRO 19 HB2 PRO 19 6.085 0.815 -7.432
147 HB3 PRO 19 HB1 PRO 19 6.798 2.114 -8.398
148 HG2 PRO 19 HG2 PRO 19 5.210 2.305 -6.018
149 HG3 PRO 19 HG1 PRO 19 6.040 3.587 -6.908
150 HD2 PRO 19 HD2 PRO 19 3.207 2.957 -6.868
151 HD3 PRO 19 HD1 PRO 19 4.024 4.342 -7.614
152 H VAL 20 HN VAL 20 2.346 1.019 -9.054
153 HA VAL 20 HA VAL 20 2.598 -1.747 -8.161
154 HB VAL 20 HB VAL 20 0.827 -0.309 -7.208
155 HG11 VAL 20 HG11 VAL 20 -0.776 0.762 -8.491
156 HG12 VAL 20 HG12 VAL 20 -0.657 -0.409 -9.804
157 HG13 VAL 20 HG13 VAL 20 0.590 0.822 -9.604
158 HG21 VAL 20 HG21 VAL 20 0.580 -2.921 -8.129
159 HG22 VAL 20 HG22 VAL 20 -0.870 -2.133 -8.749
160 HG23 VAL 20 HG23 VAL 20 -0.528 -2.115 -7.020
161 H LYS 21 HN LYS 21 3.564 -0.858 -10.814
162 HA LYS 21 HA LYS 21 2.149 -2.876 -12.405
163 HB2 LYS 21 HB2 LYS 21 1.134 -0.666 -12.950
164 HB3 LYS 21 HB1 LYS 21 2.729 -0.092 -13.440
165 HG2 LYS 21 HG2 LYS 21 2.862 -1.842 -15.153
166 HG3 LYS 21 HG1 LYS 21 1.298 -2.481 -14.643
167 HD2 LYS 21 HD2 LYS 21 0.144 -0.537 -15.384
168 HD3 LYS 21 HD1 LYS 21 1.639 0.383 -15.542
169 HE2 LYS 21 HE2 LYS 21 2.292 -0.767 -17.485
170 HE3 LYS 21 HE1 LYS 21 1.216 -2.124 -17.154
171 HZ1 LYS 21 HZ1 LYS 21 -0.660 -0.513 -17.452
172 HZ2 LYS 21 HZ2 LYS 21 0.220 -0.866 -18.861
173 HZ3 LYS 21 HZ3 LYS 21 0.472 0.602 -18.044
174 H ARG 22 HN ARG 22 4.837 -0.547 -12.302
175 HA ARG 22 HA ARG 22 6.623 -2.660 -13.300
176 HB2 ARG 22 HB2 ARG 22 5.780 -0.374 -14.817
177 HB3 ARG 22 HB1 ARG 22 7.501 -0.230 -14.461
178 HG2 ARG 22 HG2 ARG 22 6.208 -2.723 -15.604
179 HG3 ARG 22 HG1 ARG 22 7.026 -1.498 -16.574
180 HD2 ARG 22 HD2 ARG 22 9.039 -2.362 -16.071
181 HD3 ARG 22 HD1 ARG 22 8.695 -2.265 -14.346
182 HE ARG 22 HE ARG 22 8.211 -4.531 -14.383
183 HH11 ARG 22 HH11 ARG 22 7.935 -6.542 -15.402
184 HH12 ARG 22 HH12 ARG 22 7.796 -6.621 -17.128
185 HH21 ARG 22 HH21 ARG 22 8.101 -3.196 -17.574
186 HH22 ARG 22 HH22 ARG 22 7.890 -4.726 -18.356
187 H ARG 23 HN ARG 23 8.525 -2.719 -12.251
188 HA ARG 23 HA ARG 23 8.985 -0.777 -10.130
189 HB2 ARG 23 HB2 ARG 23 10.944 -2.334 -9.631
190 HB3 ARG 23 HB1 ARG 23 9.333 -3.034 -9.472
191 HG2 ARG 23 HG2 ARG 23 9.509 -4.185 -11.540
192 HG3 ARG 23 HG1 ARG 23 10.899 -3.225 -12.047
193 HD2 ARG 23 HD2 ARG 23 11.262 -4.684 -9.506
194 HD3 ARG 23 HD1 ARG 23 11.082 -5.711 -10.925
195 HE ARG 23 HE ARG 23 12.944 -3.596 -11.410
196 HH11 ARG 23 HH11 ARG 23 15.143 -4.162 -11.501
197 HH12 ARG 23 HH12 ARG 23 15.670 -5.674 -10.840
198 HH21 ARG 23 HH21 ARG 23 12.498 -6.640 -9.824
199 HH22 ARG 23 HH22 ARG 23 14.173 -7.076 -9.890
200 H ALA 24 HN ALA 24 9.244 0.185 -12.831
201 HA ALA 24 HA ALA 24 10.708 1.293 -14.230
202 HB1 ALA 24 HB1 ALA 24 12.165 1.843 -11.638
203 HB2 ALA 24 HB2 ALA 24 10.693 2.679 -12.128
204 HB3 ALA 24 HB3 ALA 24 12.160 2.837 -13.094