Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
27817 | 2rps RC | 11054 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 1HT SER 1 -18.155 -1.270 -2.752
2 H2 SER 1 2HT SER 1 -17.903 0.390 -3.111
3 H3 SER 1 3HT SER 1 -17.395 -0.251 -1.602
4 HA SER 1 HA SER 1 -15.651 0.141 -3.321
5 HB2 SER 1 2HB SER 1 -14.840 -2.377 -2.796
6 HB3 SER 1 1HB SER 1 -14.844 -1.101 -1.578
7 HG SER 1 HG SER 1 -17.069 -2.796 -2.005
8 H VAL 2 H VAL 2 -17.973 -0.341 -4.966
9 HA VAL 2 HA VAL 2 -17.321 -2.641 -6.613
10 HB VAL 2 HB VAL 2 -19.406 -0.523 -7.145
11 HG11 VAL 2 1HG1 VAL 2 -18.654 -3.096 -8.389
12 HG12 VAL 2 2HG1 VAL 2 -19.365 -1.650 -9.107
13 HG13 VAL 2 3HG1 VAL 2 -20.380 -2.780 -8.211
14 HG21 VAL 2 3HG2 VAL 2 -20.274 -1.283 -5.197
15 HG22 VAL 2 1HG2 VAL 2 -19.384 -2.804 -5.266
16 HG23 VAL 2 2HG2 VAL 2 -20.843 -2.592 -6.233
17 H GLN 3 H GLN 3 -15.317 -2.146 -7.504
18 HA GLN 3 HA GLN 3 -15.396 -0.499 -9.847
19 HB2 GLN 3 2HB GLN 3 -13.375 0.864 -9.121
20 HB3 GLN 3 1HB GLN 3 -14.917 1.310 -8.405
21 HG2 GLN 3 2HG GLN 3 -13.415 -0.664 -6.861
22 HG3 GLN 3 1HG GLN 3 -12.602 0.890 -7.036
23 HE21 GLN 3 1HE2 GLN 3 -12.853 1.285 -4.818
24 HE22 GLN 3 2HE2 GLN 3 -14.373 1.763 -4.153
25 H ILE 4 H ILE 4 -13.211 -0.511 -10.968
26 HA ILE 4 HA ILE 4 -12.253 -3.215 -11.013
27 HB ILE 4 HB ILE 4 -12.492 -1.914 -13.083
28 HG12 ILE 4 2HG1 ILE 4 -9.563 -2.304 -13.007
29 HG13 ILE 4 1HG1 ILE 4 -10.523 -3.681 -12.474
30 HG21 ILE 4 1HG2 ILE 4 -11.932 0.286 -12.373
31 HG22 ILE 4 2HG2 ILE 4 -10.750 -0.185 -13.594
32 HG23 ILE 4 3HG2 ILE 4 -10.314 -0.217 -11.885
33 HD11 ILE 4 3HD1 ILE 4 -10.781 -4.240 -14.594
34 HD12 ILE 4 1HD1 ILE 4 -9.992 -2.756 -15.127
35 HD13 ILE 4 2HD1 ILE 4 -11.731 -2.772 -14.828
36 H LEU 5 H LEU 5 -11.094 -0.149 -9.781
37 HA LEU 5 HA LEU 5 -8.421 -1.039 -9.288
38 HB2 LEU 5 2HB LEU 5 -10.021 1.385 -8.724
39 HB3 LEU 5 1HB LEU 5 -8.680 1.075 -7.639
40 HG LEU 5 HG LEU 5 -7.184 0.951 -9.655
41 HD11 LEU 5 1HD1 LEU 5 -9.764 1.647 -10.980
42 HD12 LEU 5 2HD1 LEU 5 -8.500 0.528 -11.492
43 HD13 LEU 5 3HD1 LEU 5 -8.251 2.268 -11.638
44 HD21 LEU 5 3HD2 LEU 5 -6.745 3.171 -9.515
45 HD22 LEU 5 1HD2 LEU 5 -7.874 3.055 -8.167
46 HD23 LEU 5 2HD2 LEU 5 -8.432 3.633 -9.737
47 H ARG 6 H ARG 6 -10.680 0.176 -6.846
48 HA ARG 6 HA ARG 6 -11.168 -0.505 -4.734
49 HB2 ARG 6 2HB ARG 6 -12.049 -2.495 -5.816
50 HB3 ARG 6 1HB ARG 6 -10.444 -3.207 -5.874
51 HG2 ARG 6 2HG ARG 6 -10.519 -3.882 -3.732
52 HG3 ARG 6 1HG ARG 6 -11.374 -2.433 -3.196
53 HD2 ARG 6 2HD ARG 6 -13.115 -3.837 -2.961
54 HD3 ARG 6 1HD ARG 6 -13.283 -3.621 -4.704
55 HE ARG 6 HE ARG 6 -11.513 -5.762 -4.001
56 HH11 ARG 6 1HH1 ARG 6 -14.856 -4.886 -4.486
57 HH12 ARG 6 2HH1 ARG 6 -15.357 -6.503 -4.851
58 HH21 ARG 6 1HH2 ARG 6 -12.171 -7.889 -4.480
59 HH22 ARG 6 2HH2 ARG 6 -13.833 -8.209 -4.846
60 H CYS 7 H CYS 7 -9.961 -0.002 -3.040
61 HA CYS 7 HA CYS 7 -7.288 -1.211 -2.797
62 HB2 CYS 7 2HB CYS 7 -8.084 1.649 -2.722
63 HB3 CYS 7 1HB CYS 7 -6.885 1.132 -1.541
64 HA PRO 8 HA PRO 8 -9.982 -2.106 0.943
65 HB2 PRO 8 2HB PRO 8 -8.277 -4.537 0.801
66 HB3 PRO 8 1HB PRO 8 -10.015 -4.397 1.083
67 HG2 PRO 8 2HG PRO 8 -9.078 -5.244 -1.263
68 HG3 PRO 8 1HG PRO 8 -10.498 -4.186 -1.175
69 HD2 PRO 8 2HD PRO 8 -7.679 -3.521 -1.914
70 HD3 PRO 8 1HD PRO 8 -9.199 -2.904 -2.592
71 H ASP 9 H ASP 9 -8.801 -3.473 2.970
72 HA ASP 9 HA ASP 9 -7.165 -1.575 4.192
73 HB2 ASP 9 2HB ASP 9 -7.636 -4.494 4.787
74 HB3 ASP 9 1HB ASP 9 -6.624 -3.478 5.808
75 H GLY 10 H GLY 10 -5.092 -1.077 3.954
76 HA2 GLY 10 2HA GLY 10 -2.782 -1.966 4.019
77 HA3 GLY 10 1HA GLY 10 -3.294 -3.120 2.797
78 H MET 11 H MET 11 -4.897 -1.045 1.404
79 HA MET 11 HA MET 11 -2.656 0.215 -0.009
80 HB2 MET 11 2HB MET 11 -5.514 -0.183 -0.912
81 HB3 MET 11 1HB MET 11 -4.201 0.458 -1.889
82 HG2 MET 11 2HG MET 11 -3.113 -1.878 -1.166
83 HG3 MET 11 1HG MET 11 -4.818 -2.320 -1.123
84 HE1 MET 11 3HE MET 11 -3.321 -3.935 -2.586
85 HE2 MET 11 1HE MET 11 -2.226 -3.219 -3.770
86 HE3 MET 11 2HE MET 11 -3.737 -3.955 -4.300
87 H GLN 12 H GLN 12 -2.238 2.191 0.748
88 HA GLN 12 HA GLN 12 -4.389 3.888 1.717
89 HB2 GLN 12 2HB GLN 12 -1.677 3.584 2.364
90 HB3 GLN 12 1HB GLN 12 -1.800 5.174 1.624
91 HG2 GLN 12 2HG GLN 12 -3.915 5.254 3.290
92 HG3 GLN 12 1HG GLN 12 -2.834 4.194 4.193
93 HE21 GLN 12 1HE2 GLN 12 -2.405 5.648 5.806
94 HE22 GLN 12 2HE2 GLN 12 -1.484 7.090 5.561
95 H MET 13 H MET 13 -5.369 5.374 0.522
96 HA MET 13 HA MET 13 -4.396 5.930 -2.155
97 HB2 MET 13 2HB MET 13 -6.832 5.465 -1.539
98 HB3 MET 13 1HB MET 13 -6.860 7.088 -0.864
99 HG2 MET 13 2HG MET 13 -6.230 7.987 -3.066
100 HG3 MET 13 1HG MET 13 -6.291 6.353 -3.725
101 HE1 MET 13 3HE MET 13 -9.237 7.046 -5.525
102 HE2 MET 13 1HE MET 13 -7.510 7.392 -5.449
103 HE3 MET 13 2HE MET 13 -8.679 8.674 -5.140
104 H LEU 14 H LEU 14 -3.768 7.920 -2.931
105 HA LEU 14 HA LEU 14 -3.040 9.883 -0.875
106 HB2 LEU 14 2HB LEU 14 -2.054 9.751 -3.721
107 HB3 LEU 14 1HB LEU 14 -1.386 10.701 -2.406
108 HG LEU 14 HG LEU 14 -1.438 7.708 -2.233
109 HD11 LEU 14 1HD1 LEU 14 0.251 9.398 -3.972
110 HD12 LEU 14 2HD1 LEU 14 -0.229 7.709 -4.144
111 HD13 LEU 14 3HD1 LEU 14 1.073 8.146 -3.039
112 HD21 LEU 14 3HD2 LEU 14 0.381 9.822 -1.084
113 HD22 LEU 14 1HD2 LEU 14 0.492 8.086 -0.789
114 HD23 LEU 14 2HD2 LEU 14 -0.913 8.989 -0.222
115 H ARG 15 H ARG 15 -3.111 12.201 -1.561
116 HA ARG 15 HA ARG 15 -5.718 12.952 -2.241
117 HB2 ARG 15 2HB ARG 15 -4.808 15.250 -2.399
118 HB3 ARG 15 1HB ARG 15 -4.296 14.414 -0.940
119 HG2 ARG 15 2HG ARG 15 -2.175 13.826 -2.254
120 HG3 ARG 15 1HG ARG 15 -2.692 15.085 -3.378
121 HD2 ARG 15 2HD ARG 15 -1.096 15.843 -1.602
122 HD3 ARG 15 1HD ARG 15 -2.606 16.748 -1.682
123 HE ARG 15 HE ARG 15 -2.656 14.578 0.202
124 HH11 ARG 15 1HH1 ARG 15 -1.819 17.932 -0.278
125 HH12 ARG 15 2HH1 ARG 15 -1.945 18.333 1.402
126 HH21 ARG 15 1HH2 ARG 15 -2.823 15.105 2.411
127 HH22 ARG 15 2HH2 ARG 15 -2.515 16.728 2.929
128 H SER 16 H SER 16 -2.872 12.464 -4.202
129 HA SER 16 HA SER 16 -3.843 13.770 -6.535
130 HB2 SER 16 2HB SER 16 -1.920 11.546 -6.880
131 HB3 SER 16 1HB SER 16 -1.843 13.207 -7.466
132 HG SER 16 HG SER 16 -0.742 12.114 -5.247
133 H GLY 17 H GLY 17 -4.095 10.514 -5.257
134 HA2 GLY 17 2HA GLY 17 -6.268 9.455 -6.014
135 HA3 GLY 17 1HA GLY 17 -5.665 9.748 -7.639
136 H GLN 18 H GLN 18 -2.890 9.096 -6.805
137 HA GLN 18 HA GLN 18 -2.863 6.390 -7.519
138 HB2 GLN 18 2HB GLN 18 -0.858 8.321 -6.468
139 HB3 GLN 18 1HB GLN 18 -0.456 6.611 -6.390
140 HG2 GLN 18 2HG GLN 18 -1.347 6.829 -8.943
141 HG3 GLN 18 1HG GLN 18 -0.614 8.412 -8.693
142 HE21 GLN 18 1HE2 GLN 18 1.502 7.917 -7.131
143 HE22 GLN 18 2HE2 GLN 18 2.618 6.859 -7.917
144 H CYS 19 H CYS 19 -2.452 4.507 -6.341
145 HA CYS 19 HA CYS 19 -3.139 4.699 -3.484
146 HB2 CYS 19 2HB CYS 19 -4.414 3.261 -5.421
147 HB3 CYS 19 1HB CYS 19 -3.307 2.055 -4.774
148 H VAL 20 H VAL 20 -1.422 4.531 -2.210
149 HA VAL 20 HA VAL 20 0.921 3.037 -3.092
150 HB VAL 20 HB VAL 20 0.586 4.625 -0.546
151 HG11 VAL 20 1HG1 VAL 20 2.824 4.363 -0.186
152 HG12 VAL 20 2HG1 VAL 20 3.194 4.191 -1.901
153 HG13 VAL 20 3HG1 VAL 20 2.486 2.843 -1.011
154 HG21 VAL 20 3HG2 VAL 20 0.203 5.962 -2.636
155 HG22 VAL 20 1HG2 VAL 20 1.856 5.569 -3.109
156 HG23 VAL 20 2HG2 VAL 20 1.557 6.503 -1.643
157 H ALA 21 H ALA 21 0.605 0.890 -2.815
158 HA ALA 21 HA ALA 21 -0.801 -0.229 -0.604
159 HB1 ALA 21 1HB ALA 21 -0.853 -1.537 -2.534
160 HB2 ALA 21 2HB ALA 21 0.281 -2.389 -1.486
161 HB3 ALA 21 3HB ALA 21 0.883 -1.381 -2.802
162 H THR 22 H THR 22 0.035 -1.498 1.105
163 HA THR 22 HA THR 22 2.309 -0.410 2.373
164 HB THR 22 HB THR 22 0.490 -1.344 3.673
165 HG1 THR 22 1HG THR 22 2.130 -1.604 4.969
166 HG21 THR 22 3HG2 THR 22 -0.531 -3.174 2.946
167 HG22 THR 22 1HG2 THR 22 0.800 -4.073 3.672
168 HG23 THR 22 2HG2 THR 22 0.851 -3.655 1.960
169 H THR 23 H THR 23 3.920 -0.674 0.696
170 HA THR 23 HA THR 23 5.167 -3.336 0.807
171 HB THR 23 HB THR 23 4.170 -3.160 -1.380
172 HG1 THR 23 1HG THR 23 6.078 -3.252 -2.654
173 HG21 THR 23 3HG2 THR 23 5.449 -1.206 -2.786
174 HG22 THR 23 1HG2 THR 23 5.096 -0.402 -1.257
175 HG23 THR 23 2HG2 THR 23 3.789 -1.125 -2.194
176 H GLU 24 H GLU 24 5.670 -0.956 2.387
177 HA GLU 24 HA GLU 24 8.068 0.272 1.393
178 HB2 GLU 24 2HB GLU 24 6.429 0.459 3.870
179 HB3 GLU 24 1HB GLU 24 8.108 0.972 3.968
180 HG2 GLU 24 2HG GLU 24 6.674 2.034 1.655
181 HG3 GLU 24 1HG GLU 24 6.018 2.542 3.210
182 HA PRO 25 HA PRO 25 10.968 -2.717 2.872
183 HB2 PRO 25 2HB PRO 25 13.183 -1.191 3.091
184 HB3 PRO 25 1HB PRO 25 12.494 -1.637 1.525
185 HG2 PRO 25 2HG PRO 25 12.214 0.919 3.058
186 HG3 PRO 25 1HG PRO 25 12.501 0.682 1.324
187 HD2 PRO 25 2HD PRO 25 10.049 1.244 2.359
188 HD3 PRO 25 1HD PRO 25 10.280 0.281 0.885
189 HA PRO 26 HA PRO 26 10.551 -1.816 7.314
190 HB2 PRO 26 2HB PRO 26 10.782 -4.381 8.141
191 HB3 PRO 26 1HB PRO 26 9.278 -3.727 7.484
192 HG2 PRO 26 2HG PRO 26 11.371 -5.387 6.132
193 HG3 PRO 26 1HG PRO 26 9.605 -5.528 6.047
194 HD2 PRO 26 2HD PRO 26 11.078 -4.322 4.111
195 HD3 PRO 26 1HD PRO 26 9.418 -3.831 4.504
196 H PHE 27 H PHE 27 11.914 -2.832 9.243
197 HA PHE 27 HA PHE 27 14.555 -1.970 8.907
198 HB2 PHE 27 2HB PHE 27 14.903 -3.172 11.142
199 HB3 PHE 27 1HB PHE 27 13.704 -1.887 11.101
200 HD1 PHE 27 2HD PHE 27 14.179 -5.544 11.148
201 HD2 PHE 27 1HD PHE 27 11.422 -2.326 11.543
202 HE1 PHE 27 2HE PHE 27 12.494 -7.102 12.032
203 HE2 PHE 27 1HE PHE 27 9.731 -3.878 12.429
204 HZ PHE 27 HZ PHE 27 10.265 -6.270 12.673
205 H ASP 28 H ASP 28 16.178 -2.919 7.887
206 HA ASP 28 HA ASP 28 16.125 -5.460 6.772
207 HB2 ASP 28 2HB ASP 28 18.224 -3.420 7.272
208 HB3 ASP 28 1HB ASP 28 18.774 -5.055 6.912
209 HA PRO 29 HA PRO 29 16.496 -7.870 10.591
210 HB2 PRO 29 2HB PRO 29 16.930 -9.969 8.518
211 HB3 PRO 29 1HB PRO 29 15.866 -9.983 9.928
212 HG2 PRO 29 2HG PRO 29 14.875 -9.617 7.485
213 HG3 PRO 29 1HG PRO 29 14.230 -8.723 8.875
214 HD2 PRO 29 2HD PRO 29 16.027 -7.789 6.685
215 HD3 PRO 29 1HD PRO 29 14.755 -6.911 7.555
216 H ASP 30 H ASP 30 18.114 -9.777 11.121
217 HA ASP 30 HA ASP 30 20.739 -9.319 9.938
218 HB2 ASP 30 2HB ASP 30 20.132 -7.902 12.151
219 HB3 ASP 30 1HB ASP 30 20.723 -9.382 12.901
220 H SER 31 H SER 31 18.839 -11.523 9.929
221 HA SER 31 HA SER 31 18.839 -13.788 10.066
222 HB2 SER 31 2HB SER 31 21.766 -13.285 10.611
223 HB3 SER 31 1HB SER 31 21.084 -14.904 10.456
224 HG SER 31 HG SER 31 21.421 -12.912 8.516
225 H TYR 32 H TYR 32 21.306 -13.311 12.554
226 HA TYR 32 HA TYR 32 19.545 -14.647 14.467
227 HB2 TYR 32 2HB TYR 32 21.621 -14.871 15.839
228 HB3 TYR 32 1HB TYR 32 21.727 -15.647 14.264
229 HD1 TYR 32 1HD TYR 32 22.904 -12.849 16.324
230 HD2 TYR 32 2HD TYR 32 23.235 -14.815 12.566
231 HE1 TYR 32 1HE TYR 32 24.959 -11.583 15.848
232 HE2 TYR 32 2HE TYR 32 25.290 -13.555 12.080
233 HH TYR 32 HH TYR 32 26.300 -10.884 13.980
Start of MODEL 2
1 H1 SER 1 1HT SER 1 -21.981 -4.042 -6.964
2 H2 SER 1 2HT SER 1 -21.908 -4.296 -8.660
3 H3 SER 1 3HT SER 1 -22.796 -2.972 -8.025
4 HA SER 1 HA SER 1 -20.585 -2.468 -9.005
5 HB2 SER 1 2HB SER 1 -21.661 -1.693 -6.333
6 HB3 SER 1 1HB SER 1 -20.057 -1.103 -6.770
7 HG SER 1 HG SER 1 -21.307 0.408 -7.633
8 H VAL 2 H VAL 2 -18.939 -3.897 -9.307
9 HA VAL 2 HA VAL 2 -17.711 -5.238 -7.046
10 HB VAL 2 HB VAL 2 -18.000 -6.457 -9.159
11 HG11 VAL 2 1HG1 VAL 2 -16.444 -5.876 -11.054
12 HG12 VAL 2 2HG1 VAL 2 -16.165 -4.335 -10.246
13 HG13 VAL 2 3HG1 VAL 2 -17.784 -4.759 -10.799
14 HG21 VAL 2 3HG2 VAL 2 -15.125 -5.981 -8.385
15 HG22 VAL 2 1HG2 VAL 2 -15.705 -7.341 -9.343
16 HG23 VAL 2 2HG2 VAL 2 -16.226 -7.155 -7.669
17 H GLN 3 H GLN 3 -15.599 -4.940 -6.339
18 HA GLN 3 HA GLN 3 -14.614 -2.280 -6.462
19 HB2 GLN 3 2HB GLN 3 -13.166 -4.728 -5.447
20 HB3 GLN 3 1HB GLN 3 -12.829 -3.054 -5.031
21 HG2 GLN 3 2HG GLN 3 -14.435 -2.987 -3.480
22 HG3 GLN 3 1HG GLN 3 -15.575 -3.885 -4.482
23 HE21 GLN 3 1HE2 GLN 3 -12.483 -4.475 -2.832
24 HE22 GLN 3 2HE2 GLN 3 -12.949 -5.987 -2.138
25 H ILE 4 H ILE 4 -14.490 -2.238 -8.872
26 HA ILE 4 HA ILE 4 -12.545 -3.718 -10.279
27 HB ILE 4 HB ILE 4 -12.755 -1.829 -11.972
28 HG12 ILE 4 2HG1 ILE 4 -15.214 -0.932 -10.591
29 HG13 ILE 4 1HG1 ILE 4 -13.697 -0.368 -9.901
30 HG21 ILE 4 1HG2 ILE 4 -15.489 -2.792 -11.414
31 HG22 ILE 4 2HG2 ILE 4 -14.233 -4.022 -11.570
32 HG23 ILE 4 3HG2 ILE 4 -14.529 -2.889 -12.890
33 HD11 ILE 4 3HD1 ILE 4 -15.078 0.788 -11.975
34 HD12 ILE 4 1HD1 ILE 4 -13.773 -0.079 -12.783
35 HD13 ILE 4 2HD1 ILE 4 -13.401 1.106 -11.533
36 H LEU 5 H LEU 5 -12.405 -0.774 -8.411
37 HA LEU 5 HA LEU 5 -9.503 -0.774 -8.675
38 HB2 LEU 5 2HB LEU 5 -10.786 0.867 -10.312
39 HB3 LEU 5 1HB LEU 5 -10.854 1.871 -8.877
40 HG LEU 5 HG LEU 5 -8.205 0.757 -9.641
41 HD11 LEU 5 1HD1 LEU 5 -9.405 1.651 -11.731
42 HD12 LEU 5 2HD1 LEU 5 -7.794 2.268 -11.362
43 HD13 LEU 5 3HD1 LEU 5 -9.219 3.236 -10.982
44 HD21 LEU 5 3HD2 LEU 5 -7.381 2.543 -8.476
45 HD22 LEU 5 1HD2 LEU 5 -8.918 2.319 -7.643
46 HD23 LEU 5 2HD2 LEU 5 -8.755 3.577 -8.868
47 H ARG 6 H ARG 6 -9.564 -1.513 -6.508
48 HA ARG 6 HA ARG 6 -10.017 0.648 -4.583
49 HB2 ARG 6 2HB ARG 6 -11.883 -1.189 -4.707
50 HB3 ARG 6 1HB ARG 6 -10.717 -2.163 -3.822
51 HG2 ARG 6 2HG ARG 6 -12.147 -1.180 -2.221
52 HG3 ARG 6 1HG ARG 6 -10.611 -0.316 -2.126
53 HD2 ARG 6 2HD ARG 6 -11.930 1.508 -2.217
54 HD3 ARG 6 1HD ARG 6 -11.901 1.193 -3.950
55 HE ARG 6 HE ARG 6 -14.113 0.608 -3.850
56 HH11 ARG 6 1HH1 ARG 6 -12.812 0.682 -0.611
57 HH12 ARG 6 2HH1 ARG 6 -14.357 0.487 0.147
58 HH21 ARG 6 1HH2 ARG 6 -16.145 0.352 -2.854
59 HH22 ARG 6 2HH2 ARG 6 -16.249 0.299 -1.126
60 H CYS 7 H CYS 7 -8.592 0.717 -2.874
61 HA CYS 7 HA CYS 7 -6.266 -1.052 -3.125
62 HB2 CYS 7 2HB CYS 7 -6.643 1.709 -1.996
63 HB3 CYS 7 1HB CYS 7 -5.230 0.746 -1.580
64 HA PRO 8 HA PRO 8 -8.400 -2.829 0.574
65 HB2 PRO 8 2HB PRO 8 -6.880 -5.153 0.371
66 HB3 PRO 8 1HB PRO 8 -8.499 -4.922 -0.287
67 HG2 PRO 8 2HG PRO 8 -5.854 -4.762 -1.645
68 HG3 PRO 8 1HG PRO 8 -7.402 -5.360 -2.265
69 HD2 PRO 8 2HD PRO 8 -6.416 -2.959 -2.969
70 HD3 PRO 8 1HD PRO 8 -8.159 -3.237 -2.781
71 H ASP 9 H ASP 9 -6.967 -4.464 2.195
72 HA ASP 9 HA ASP 9 -5.396 -2.681 3.682
73 HB2 ASP 9 2HB ASP 9 -5.989 -5.592 3.793
74 HB3 ASP 9 1HB ASP 9 -4.575 -5.031 4.680
75 H GLY 10 H GLY 10 -3.452 -1.909 3.215
76 HA2 GLY 10 2HA GLY 10 -1.062 -2.650 3.078
77 HA3 GLY 10 1HA GLY 10 -1.580 -3.650 1.730
78 H MET 11 H MET 11 -3.409 -1.525 0.755
79 HA MET 11 HA MET 11 -1.357 0.244 -0.406
80 HB2 MET 11 2HB MET 11 -3.702 -1.161 -1.584
81 HB3 MET 11 1HB MET 11 -3.302 0.427 -2.224
82 HG2 MET 11 2HG MET 11 -1.435 -0.301 -3.240
83 HG3 MET 11 1HG MET 11 -1.047 -1.441 -1.952
84 HE1 MET 11 3HE MET 11 -2.531 -4.430 -2.331
85 HE2 MET 11 1HE MET 11 -1.086 -3.483 -1.974
86 HE3 MET 11 2HE MET 11 -1.181 -4.420 -3.465
87 H GLN 12 H GLN 12 -1.547 2.355 -0.054
88 HA GLN 12 HA GLN 12 -4.165 3.403 0.805
89 HB2 GLN 12 2HB GLN 12 -2.873 5.039 2.206
90 HB3 GLN 12 1HB GLN 12 -2.777 3.371 2.749
91 HG2 GLN 12 2HG GLN 12 -0.573 3.146 2.104
92 HG3 GLN 12 1HG GLN 12 -0.667 4.478 0.953
93 HE21 GLN 12 1HE2 GLN 12 -1.712 4.400 4.320
94 HE22 GLN 12 2HE2 GLN 12 -0.629 5.628 4.873
95 H MET 13 H MET 13 -4.927 5.052 -0.348
96 HA MET 13 HA MET 13 -3.617 5.977 -2.664
97 HB2 MET 13 2HB MET 13 -5.471 7.581 -2.840
98 HB3 MET 13 1HB MET 13 -6.048 5.960 -2.476
99 HG2 MET 13 2HG MET 13 -5.849 6.899 0.012
100 HG3 MET 13 1HG MET 13 -6.126 8.417 -0.840
101 HE1 MET 13 3HE MET 13 -8.817 4.740 -0.976
102 HE2 MET 13 1HE MET 13 -8.217 5.202 0.617
103 HE3 MET 13 2HE MET 13 -7.081 4.816 -0.676
104 H LEU 14 H LEU 14 -2.744 8.011 -3.165
105 HA LEU 14 HA LEU 14 -1.636 9.421 -0.839
106 HB2 LEU 14 2HB LEU 14 -0.717 9.602 -3.703
107 HB3 LEU 14 1HB LEU 14 0.121 10.192 -2.280
108 HG LEU 14 HG LEU 14 -0.455 7.271 -2.499
109 HD11 LEU 14 1HD1 LEU 14 1.105 6.822 -4.061
110 HD12 LEU 14 2HD1 LEU 14 2.121 8.186 -3.594
111 HD13 LEU 14 3HD1 LEU 14 0.710 8.448 -4.618
112 HD21 LEU 14 3HD2 LEU 14 2.016 7.508 -1.497
113 HD22 LEU 14 1HD2 LEU 14 0.562 7.587 -0.504
114 HD23 LEU 14 2HD2 LEU 14 1.359 9.073 -1.020
115 H ARG 15 H ARG 15 -1.223 11.811 -1.237
116 HA ARG 15 HA ARG 15 -3.666 13.131 -1.590
117 HB2 ARG 15 2HB ARG 15 -2.327 15.213 -1.528
118 HB3 ARG 15 1HB ARG 15 -1.913 14.096 -0.234
119 HG2 ARG 15 2HG ARG 15 0.013 13.327 -1.640
120 HG3 ARG 15 1HG ARG 15 -0.356 14.652 -2.746
121 HD2 ARG 15 2HD ARG 15 1.434 15.146 -1.062
122 HD3 ARG 15 1HD ARG 15 0.084 16.281 -1.068
123 HE ARG 15 HE ARG 15 -0.215 14.144 0.830
124 HH11 ARG 15 1HH1 ARG 15 1.140 17.315 0.285
125 HH12 ARG 15 2HH1 ARG 15 1.172 17.728 1.967
126 HH21 ARG 15 1HH2 ARG 15 -0.175 14.686 3.041
127 HH22 ARG 15 2HH2 ARG 15 0.425 16.235 3.532
128 H SER 16 H SER 16 -1.091 12.393 -3.831
129 HA SER 16 HA SER 16 -1.915 14.180 -5.886
130 HB2 SER 16 2HB SER 16 -0.010 11.897 -5.670
131 HB3 SER 16 1HB SER 16 -0.537 12.373 -7.283
132 HG SER 16 HG SER 16 0.685 14.037 -5.334
133 H GLY 17 H GLY 17 -2.749 10.892 -5.005
134 HA2 GLY 17 2HA GLY 17 -5.135 10.410 -5.740
135 HA3 GLY 17 1HA GLY 17 -4.531 10.749 -7.354
136 H GLN 18 H GLN 18 -1.935 9.447 -6.748
137 HA GLN 18 HA GLN 18 -2.558 6.864 -7.681
138 HB2 GLN 18 2HB GLN 18 -0.002 7.849 -6.401
139 HB3 GLN 18 1HB GLN 18 -0.174 6.375 -7.346
140 HG2 GLN 18 2HG GLN 18 -0.656 9.153 -8.397
141 HG3 GLN 18 1HG GLN 18 0.839 8.240 -8.601
142 HE21 GLN 18 1HE2 GLN 18 -2.623 8.176 -9.272
143 HE22 GLN 18 2HE2 GLN 18 -2.509 7.240 -10.720
144 H CYS 19 H CYS 19 -1.245 4.974 -6.393
145 HA CYS 19 HA CYS 19 -2.131 5.015 -3.595
146 HB2 CYS 19 2HB CYS 19 -3.631 3.750 -5.443
147 HB3 CYS 19 1HB CYS 19 -2.499 2.460 -5.054
148 H VAL 20 H VAL 20 -0.362 4.710 -2.423
149 HA VAL 20 HA VAL 20 1.792 3.025 -3.478
150 HB VAL 20 HB VAL 20 2.423 5.282 -2.742
151 HG11 VAL 20 1HG1 VAL 20 0.739 5.601 -1.012
152 HG12 VAL 20 2HG1 VAL 20 2.359 5.876 -0.369
153 HG13 VAL 20 3HG1 VAL 20 1.514 4.370 -0.015
154 HG21 VAL 20 3HG2 VAL 20 4.014 3.385 -2.580
155 HG22 VAL 20 1HG2 VAL 20 3.538 3.175 -0.895
156 HG23 VAL 20 2HG2 VAL 20 4.329 4.665 -1.409
157 H ALA 21 H ALA 21 2.670 1.320 -2.297
158 HA ALA 21 HA ALA 21 0.812 0.049 -0.465
159 HB1 ALA 21 1HB ALA 21 2.722 -1.759 -0.597
160 HB2 ALA 21 2HB ALA 21 3.190 -0.831 -2.022
161 HB3 ALA 21 3HB ALA 21 1.578 -1.540 -1.922
162 H THR 22 H THR 22 1.328 -0.640 1.630
163 HA THR 22 HA THR 22 3.261 1.061 2.980
164 HB THR 22 HB THR 22 2.125 -0.436 4.959
165 HG1 THR 22 1HG THR 22 0.076 -0.041 3.047
166 HG21 THR 22 3HG2 THR 22 0.514 1.838 3.940
167 HG22 THR 22 1HG2 THR 22 2.165 2.140 4.480
168 HG23 THR 22 2HG2 THR 22 0.990 1.433 5.588
169 H THR 23 H THR 23 5.092 -0.086 1.992
170 HA THR 23 HA THR 23 5.863 -2.381 3.648
171 HB THR 23 HB THR 23 5.130 -3.306 1.513
172 HG1 THR 23 1HG THR 23 7.961 -3.293 1.622
173 HG21 THR 23 3HG2 THR 23 6.207 -2.804 -0.573
174 HG22 THR 23 1HG2 THR 23 7.249 -1.617 0.210
175 HG23 THR 23 2HG2 THR 23 5.513 -1.328 0.098
176 H GLU 24 H GLU 24 6.553 0.368 3.919
177 HA GLU 24 HA GLU 24 9.108 0.888 2.779
178 HB2 GLU 24 2HB GLU 24 7.274 2.210 4.635
179 HB3 GLU 24 1HB GLU 24 8.965 2.474 5.032
180 HG2 GLU 24 2HG GLU 24 9.398 3.398 2.872
181 HG3 GLU 24 1HG GLU 24 7.784 2.962 2.311
182 HA PRO 25 HA PRO 25 10.581 -0.253 7.378
183 HB2 PRO 25 2HB PRO 25 8.505 -2.355 7.789
184 HB3 PRO 25 1HB PRO 25 9.266 -1.282 8.968
185 HG2 PRO 25 2HG PRO 25 6.783 -0.827 8.131
186 HG3 PRO 25 1HG PRO 25 7.910 0.514 8.408
187 HD2 PRO 25 2HD PRO 25 6.985 -0.686 5.838
188 HD3 PRO 25 1HD PRO 25 7.379 1.002 6.222
189 HA PRO 26 HA PRO 26 12.701 -3.640 5.461
190 HB2 PRO 26 2HB PRO 26 14.296 -4.426 7.495
191 HB3 PRO 26 1HB PRO 26 14.555 -2.912 6.618
192 HG2 PRO 26 2HG PRO 26 13.227 -3.368 9.264
193 HG3 PRO 26 1HG PRO 26 14.379 -2.103 8.793
194 HD2 PRO 26 2HD PRO 26 11.695 -1.687 8.921
195 HD3 PRO 26 1HD PRO 26 12.753 -0.824 7.788
196 H PHE 27 H PHE 27 12.102 -5.676 5.069
197 HA PHE 27 HA PHE 27 10.659 -7.138 7.160
198 HB2 PHE 27 2HB PHE 27 10.431 -6.969 4.232
199 HB3 PHE 27 1HB PHE 27 10.297 -8.602 4.877
200 HD1 PHE 27 2HD PHE 27 8.917 -8.190 7.404
201 HD2 PHE 27 1HD PHE 27 8.301 -6.328 3.628
202 HE1 PHE 27 2HE PHE 27 6.571 -7.758 8.005
203 HE2 PHE 27 1HE PHE 27 5.952 -5.893 4.220
204 HZ PHE 27 HZ PHE 27 5.084 -6.608 6.411
205 H ASP 28 H ASP 28 12.751 -7.642 8.167
206 HA ASP 28 HA ASP 28 13.984 -9.988 6.886
207 HB2 ASP 28 2HB ASP 28 15.242 -7.527 7.847
208 HB3 ASP 28 1HB ASP 28 15.971 -8.982 8.519
209 HA PRO 29 HA PRO 29 12.917 -11.947 10.723
210 HB2 PRO 29 2HB PRO 29 14.285 -14.246 10.440
211 HB3 PRO 29 1HB PRO 29 12.861 -13.880 9.457
212 HG2 PRO 29 2HG PRO 29 15.761 -13.643 8.755
213 HG3 PRO 29 1HG PRO 29 14.422 -14.272 7.780
214 HD2 PRO 29 2HD PRO 29 15.439 -11.750 7.504
215 HD3 PRO 29 1HD PRO 29 13.762 -12.180 7.115
216 H ASP 30 H ASP 30 16.262 -11.504 9.767
217 HA ASP 30 HA ASP 30 17.248 -12.044 12.445
218 HB2 ASP 30 2HB ASP 30 19.474 -11.435 11.413
219 HB3 ASP 30 1HB ASP 30 18.664 -12.823 10.692
220 H SER 31 H SER 31 16.454 -9.324 10.423
221 HA SER 31 HA SER 31 16.345 -7.089 10.824
222 HB2 SER 31 2HB SER 31 16.205 -8.279 13.547
223 HB3 SER 31 1HB SER 31 16.550 -6.552 13.446
224 HG SER 31 HG SER 31 14.265 -7.183 13.536
225 H TYR 32 H TYR 32 18.424 -6.980 9.726
226 HA TYR 32 HA TYR 32 20.407 -5.695 11.409
227 HB2 TYR 32 2HB TYR 32 21.108 -8.047 11.449
228 HB3 TYR 32 1HB TYR 32 21.107 -8.087 9.690
229 HD1 TYR 32 2HD TYR 32 22.585 -5.989 12.418
230 HD2 TYR 32 1HD TYR 32 23.165 -7.929 8.675
231 HE1 TYR 32 2HE TYR 32 24.930 -5.254 12.408
232 HE2 TYR 32 1HE TYR 32 25.512 -7.199 8.654
233 HH TYR 32 HH TYR 32 26.725 -4.844 10.758
Start of MODEL 3
1 H1 SER 1 1HT SER 1 -21.301 -5.127 -4.863
2 H2 SER 1 2HT SER 1 -21.291 -4.203 -6.308
3 H3 SER 1 3HT SER 1 -22.642 -4.134 -5.253
4 HA SER 1 HA SER 1 -21.357 -2.189 -5.004
5 HB2 SER 1 2HB SER 1 -20.675 -3.832 -2.593
6 HB3 SER 1 1HB SER 1 -21.368 -2.213 -2.682
7 HG SER 1 HG SER 1 -22.676 -4.393 -2.256
8 H VAL 2 H VAL 2 -19.584 -2.298 -6.538
9 HA VAL 2 HA VAL 2 -17.092 -3.482 -5.641
10 HB VAL 2 HB VAL 2 -17.530 -1.754 -8.076
11 HG11 VAL 2 1HG1 VAL 2 -15.267 -1.909 -7.950
12 HG12 VAL 2 2HG1 VAL 2 -15.588 -3.436 -8.772
13 HG13 VAL 2 3HG1 VAL 2 -15.309 -3.415 -7.031
14 HG21 VAL 2 3HG2 VAL 2 -17.954 -3.721 -9.354
15 HG22 VAL 2 1HG2 VAL 2 -19.062 -3.735 -7.983
16 HG23 VAL 2 2HG2 VAL 2 -17.630 -4.763 -7.968
17 H GLN 3 H GLN 3 -15.167 -2.314 -5.273
18 HA GLN 3 HA GLN 3 -15.565 0.171 -3.901
19 HB2 GLN 3 2HB GLN 3 -13.007 -1.300 -4.565
20 HB3 GLN 3 1HB GLN 3 -13.146 0.054 -3.451
21 HG2 GLN 3 2HG GLN 3 -14.657 -1.302 -2.048
22 HG3 GLN 3 1HG GLN 3 -14.404 -2.663 -3.140
23 HE21 GLN 3 1HE2 GLN 3 -12.734 -3.965 -2.779
24 HE22 GLN 3 2HE2 GLN 3 -11.452 -3.665 -1.660
25 H ILE 4 H ILE 4 -15.529 2.127 -4.771
26 HA ILE 4 HA ILE 4 -14.305 2.474 -7.418
27 HB ILE 4 HB ILE 4 -16.188 4.389 -6.051
28 HG12 ILE 4 2HG1 ILE 4 -17.698 3.228 -7.984
29 HG13 ILE 4 1HG1 ILE 4 -16.720 1.854 -7.477
30 HG21 ILE 4 1HG2 ILE 4 -15.370 5.637 -7.745
31 HG22 ILE 4 2HG2 ILE 4 -16.551 4.733 -8.692
32 HG23 ILE 4 3HG2 ILE 4 -14.861 4.231 -8.679
33 HD11 ILE 4 3HD1 ILE 4 -18.481 1.632 -6.061
34 HD12 ILE 4 1HD1 ILE 4 -18.788 3.367 -5.989
35 HD13 ILE 4 2HD1 ILE 4 -17.447 2.671 -5.080
36 H LEU 5 H LEU 5 -12.770 2.431 -4.937
37 HA LEU 5 HA LEU 5 -11.065 4.604 -5.405
38 HB2 LEU 5 2HB LEU 5 -12.823 5.950 -4.404
39 HB3 LEU 5 1HB LEU 5 -12.864 4.902 -3.000
40 HG LEU 5 HG LEU 5 -10.302 5.633 -2.859
41 HD11 LEU 5 1HD1 LEU 5 -11.576 8.120 -3.955
42 HD12 LEU 5 2HD1 LEU 5 -10.642 7.018 -4.967
43 HD13 LEU 5 3HD1 LEU 5 -9.876 7.819 -3.593
44 HD21 LEU 5 3HD2 LEU 5 -11.525 6.004 -0.959
45 HD22 LEU 5 1HD2 LEU 5 -12.798 6.876 -1.816
46 HD23 LEU 5 2HD2 LEU 5 -11.254 7.665 -1.488
47 H ARG 6 H ARG 6 -9.916 2.499 -5.363
48 HA ARG 6 HA ARG 6 -8.337 2.260 -3.055
49 HB2 ARG 6 2HB ARG 6 -10.561 1.173 -2.334
50 HB3 ARG 6 1HB ARG 6 -10.111 -0.145 -3.407
51 HG2 ARG 6 2HG ARG 6 -7.840 0.120 -1.963
52 HG3 ARG 6 1HG ARG 6 -9.052 0.594 -0.771
53 HD2 ARG 6 2HD ARG 6 -9.963 -1.720 -2.185
54 HD3 ARG 6 1HD ARG 6 -8.331 -2.009 -1.584
55 HE ARG 6 HE ARG 6 -10.720 -1.836 -0.040
56 HH11 ARG 6 1HH1 ARG 6 -7.290 -1.206 0.039
57 HH12 ARG 6 2HH1 ARG 6 -7.174 -1.360 1.760
58 HH21 ARG 6 1HH2 ARG 6 -10.571 -2.036 2.224
59 HH22 ARG 6 2HH2 ARG 6 -9.036 -1.831 3.001
60 H CYS 7 H CYS 7 -6.463 1.262 -3.553
61 HA CYS 7 HA CYS 7 -6.114 0.311 -6.247
62 HB2 CYS 7 2HB CYS 7 -4.256 0.747 -3.919
63 HB3 CYS 7 1HB CYS 7 -3.710 -0.054 -5.387
64 HA PRO 8 HA PRO 8 -6.312 -4.062 -5.905
65 HB2 PRO 8 2HB PRO 8 -3.413 -4.219 -6.561
66 HB3 PRO 8 1HB PRO 8 -4.786 -5.027 -7.325
67 HG2 PRO 8 2HG PRO 8 -3.592 -2.948 -8.499
68 HG3 PRO 8 1HG PRO 8 -5.349 -3.173 -8.589
69 HD2 PRO 8 2HD PRO 8 -3.766 -1.250 -6.956
70 HD3 PRO 8 1HD PRO 8 -5.368 -1.058 -7.693
71 H ASP 9 H ASP 9 -5.054 -6.013 -4.941
72 HA ASP 9 HA ASP 9 -4.714 -5.522 -2.179
73 HB2 ASP 9 2HB ASP 9 -5.332 -7.716 -3.564
74 HB3 ASP 9 1HB ASP 9 -3.607 -8.013 -3.379
75 H GLY 10 H GLY 10 -3.022 -4.632 -1.214
76 HA2 GLY 10 2HA GLY 10 -0.679 -4.940 -0.594
77 HA3 GLY 10 1HA GLY 10 -0.336 -5.221 -2.293
78 H MET 11 H MET 11 -2.270 -2.932 -2.914
79 HA MET 11 HA MET 11 -0.486 -0.719 -2.146
80 HB2 MET 11 2HB MET 11 -1.066 0.236 -4.459
81 HB3 MET 11 1HB MET 11 0.100 -1.077 -4.386
82 HG2 MET 11 2HG MET 11 -2.706 -1.887 -4.731
83 HG3 MET 11 1HG MET 11 -1.989 -0.999 -6.076
84 HE1 MET 11 3HE MET 11 0.611 -2.681 -7.506
85 HE2 MET 11 1HE MET 11 1.407 -2.878 -5.945
86 HE3 MET 11 2HE MET 11 0.565 -1.375 -6.323
87 H GLN 12 H GLN 12 -1.482 1.424 -2.291
88 HA GLN 12 HA GLN 12 -4.409 1.375 -2.036
89 HB2 GLN 12 2HB GLN 12 -2.397 2.487 -0.107
90 HB3 GLN 12 1HB GLN 12 -4.005 3.188 -0.212
91 HG2 GLN 12 2HG GLN 12 -3.524 0.264 0.271
92 HG3 GLN 12 1HG GLN 12 -3.667 1.448 1.569
93 HE21 GLN 12 1HE2 GLN 12 -5.583 1.305 2.475
94 HE22 GLN 12 2HE2 GLN 12 -7.088 1.093 1.654
95 H MET 13 H MET 13 -5.482 3.219 -2.726
96 HA MET 13 HA MET 13 -4.179 4.748 -4.730
97 HB2 MET 13 2HB MET 13 -6.752 4.106 -4.268
98 HB3 MET 13 1HB MET 13 -6.741 5.738 -3.614
99 HG2 MET 13 2HG MET 13 -5.738 6.483 -5.799
100 HG3 MET 13 1HG MET 13 -6.089 4.868 -6.413
101 HE1 MET 13 3HE MET 13 -8.210 4.660 -7.943
102 HE2 MET 13 1HE MET 13 -7.296 6.116 -8.333
103 HE3 MET 13 2HE MET 13 -9.058 6.176 -8.251
104 H LEU 14 H LEU 14 -3.069 6.578 -4.574
105 HA LEU 14 HA LEU 14 -2.904 7.918 -1.996
106 HB2 LEU 14 2HB LEU 14 -1.357 8.249 -4.566
107 HB3 LEU 14 1HB LEU 14 -1.090 9.235 -3.141
108 HG LEU 14 HG LEU 14 -0.656 6.258 -3.374
109 HD11 LEU 14 1HD1 LEU 14 1.228 7.126 -4.308
110 HD12 LEU 14 2HD1 LEU 14 1.691 7.206 -2.608
111 HD13 LEU 14 3HD1 LEU 14 1.098 8.650 -3.429
112 HD21 LEU 14 3HD2 LEU 14 0.437 6.894 -1.015
113 HD22 LEU 14 1HD2 LEU 14 -1.223 6.320 -1.183
114 HD23 LEU 14 2HD2 LEU 14 -0.899 8.046 -1.034
115 H ARG 15 H ARG 15 -2.696 10.395 -2.121
116 HA ARG 15 HA ARG 15 -5.168 11.477 -2.826
117 HB2 ARG 15 2HB ARG 15 -3.688 12.476 -1.143
118 HB3 ARG 15 1HB ARG 15 -2.543 12.916 -2.404
119 HG2 ARG 15 2HG ARG 15 -4.779 14.096 -3.347
120 HG3 ARG 15 1HG ARG 15 -5.067 14.193 -1.608
121 HD2 ARG 15 2HD ARG 15 -2.708 15.125 -1.428
122 HD3 ARG 15 1HD ARG 15 -2.755 15.298 -3.181
123 HE ARG 15 HE ARG 15 -4.160 17.094 -2.938
124 HH11 ARG 15 1HH1 ARG 15 -3.980 15.370 0.091
125 HH12 ARG 15 2HH1 ARG 15 -4.833 16.587 0.978
126 HH21 ARG 15 1HH2 ARG 15 -5.284 18.695 -1.772
127 HH22 ARG 15 2HH2 ARG 15 -5.575 18.474 -0.079
128 H SER 16 H SER 16 -2.203 11.185 -4.645
129 HA SER 16 HA SER 16 -3.081 12.957 -6.751
130 HB2 SER 16 2HB SER 16 -0.642 11.348 -6.181
131 HB3 SER 16 1HB SER 16 -0.980 11.734 -7.868
132 HG SER 16 HG SER 16 0.308 13.278 -6.471
133 H GLY 17 H GLY 17 -3.119 9.538 -6.063
134 HA2 GLY 17 2HA GLY 17 -4.997 8.378 -7.248
135 HA3 GLY 17 1HA GLY 17 -4.329 9.066 -8.720
136 H GLN 18 H GLN 18 -1.554 8.593 -7.705
137 HA GLN 18 HA GLN 18 -1.107 6.110 -8.937
138 HB2 GLN 18 2HB GLN 18 0.552 7.994 -7.324
139 HB3 GLN 18 1HB GLN 18 1.174 6.376 -7.617
140 HG2 GLN 18 2HG GLN 18 0.152 7.937 -9.928
141 HG3 GLN 18 1HG GLN 18 1.713 8.376 -9.233
142 HE21 GLN 18 1HE2 GLN 18 3.432 7.312 -9.917
143 HE22 GLN 18 2HE2 GLN 18 3.420 5.820 -10.788
144 H CYS 19 H CYS 19 -0.550 4.091 -8.107
145 HA CYS 19 HA CYS 19 -1.737 3.493 -5.531
146 HB2 CYS 19 2HB CYS 19 -0.717 1.825 -7.817
147 HB3 CYS 19 1HB CYS 19 -1.117 1.100 -6.268
148 H VAL 20 H VAL 20 -0.571 3.525 -3.734
149 HA VAL 20 HA VAL 20 2.335 3.183 -3.906
150 HB VAL 20 HB VAL 20 1.532 5.209 -2.774
151 HG11 VAL 20 1HG1 VAL 20 -0.564 4.505 -1.888
152 HG12 VAL 20 2HG1 VAL 20 0.459 4.950 -0.522
153 HG13 VAL 20 3HG1 VAL 20 0.200 3.250 -0.913
154 HG21 VAL 20 3HG2 VAL 20 3.031 5.133 -0.985
155 HG22 VAL 20 1HG2 VAL 20 3.635 3.901 -2.092
156 HG23 VAL 20 2HG2 VAL 20 2.711 3.430 -0.666
157 H ALA 21 H ALA 21 3.413 1.568 -2.879
158 HA ALA 21 HA ALA 21 1.985 -0.788 -2.195
159 HB1 ALA 21 1HB ALA 21 4.499 -0.325 -3.022
160 HB2 ALA 21 2HB ALA 21 3.996 -1.819 -2.230
161 HB3 ALA 21 3HB ALA 21 4.786 -0.547 -1.296
162 H THR 22 H THR 22 0.681 -0.659 -0.443
163 HA THR 22 HA THR 22 1.648 0.556 2.014
164 HB THR 22 HB THR 22 -0.755 -0.338 2.732
165 HG1 THR 22 1HG THR 22 -1.273 -1.431 0.884
166 HG21 THR 22 3HG2 THR 22 -0.621 1.975 0.829
167 HG22 THR 22 1HG2 THR 22 -0.008 2.058 2.481
168 HG23 THR 22 2HG2 THR 22 -1.717 1.733 2.190
169 H THR 23 H THR 23 3.301 -1.416 1.692
170 HA THR 23 HA THR 23 2.676 -3.223 3.837
171 HB THR 23 HB THR 23 3.273 -4.450 1.144
172 HG1 THR 23 1HG THR 23 0.777 -4.258 2.478
173 HG21 THR 23 3HG2 THR 23 1.892 -6.127 3.012
174 HG22 THR 23 1HG2 THR 23 3.390 -5.522 3.716
175 HG23 THR 23 2HG2 THR 23 3.425 -6.393 2.182
176 H GLU 24 H GLU 24 4.656 -1.185 3.188
177 HA GLU 24 HA GLU 24 7.133 -2.408 2.547
178 HB2 GLU 24 2HB GLU 24 6.833 0.122 4.147
179 HB3 GLU 24 1HB GLU 24 8.114 -0.322 3.029
180 HG2 GLU 24 2HG GLU 24 6.344 -0.257 1.212
181 HG3 GLU 24 1HG GLU 24 5.316 0.542 2.399
182 HA PRO 25 HA PRO 25 7.546 -4.270 6.645
183 HB2 PRO 25 2HB PRO 25 9.688 -5.805 6.069
184 HB3 PRO 25 1HB PRO 25 8.053 -6.231 5.549
185 HG2 PRO 25 2HG PRO 25 10.254 -4.927 3.994
186 HG3 PRO 25 1HG PRO 25 9.149 -6.222 3.496
187 HD2 PRO 25 2HD PRO 25 8.794 -3.619 2.795
188 HD3 PRO 25 1HD PRO 25 7.445 -4.752 3.019
189 HA PRO 26 HA PRO 26 10.773 -1.274 7.768
190 HB2 PRO 26 2HB PRO 26 9.984 -0.892 10.304
191 HB3 PRO 26 1HB PRO 26 9.112 -0.171 8.944
192 HG2 PRO 26 2HG PRO 26 8.455 -2.624 10.529
193 HG3 PRO 26 1HG PRO 26 7.378 -1.332 9.969
194 HD2 PRO 26 2HD PRO 26 7.647 -3.745 8.702
195 HD3 PRO 26 1HD PRO 26 7.167 -2.247 7.879
196 H PHE 27 H PHE 27 12.505 -1.271 9.359
197 HA PHE 27 HA PHE 27 14.212 -2.257 10.490
198 HB2 PHE 27 2HB PHE 27 12.530 -2.553 12.234
199 HB3 PHE 27 1HB PHE 27 11.985 -4.048 11.480
200 HD1 PHE 27 1HD PHE 27 15.210 -2.567 12.649
201 HD2 PHE 27 2HD PHE 27 12.671 -5.979 12.493
202 HE1 PHE 27 1HE PHE 27 16.834 -3.831 13.998
203 HE2 PHE 27 2HE PHE 27 14.291 -7.249 13.841
204 HZ PHE 27 HZ PHE 27 16.375 -6.176 14.594
205 H ASP 28 H ASP 28 15.604 -4.150 10.555
206 HA ASP 28 HA ASP 28 15.372 -5.693 8.113
207 HB2 ASP 28 2HB ASP 28 17.523 -4.801 9.838
208 HB3 ASP 28 1HB ASP 28 17.669 -6.521 9.491
209 HA PRO 29 HA PRO 29 14.249 -9.536 9.958
210 HB2 PRO 29 2HB PRO 29 15.784 -11.373 8.733
211 HB3 PRO 29 1HB PRO 29 14.551 -10.455 7.862
212 HG2 PRO 29 2HG PRO 29 17.511 -10.047 7.948
213 HG3 PRO 29 1HG PRO 29 16.403 -9.929 6.570
214 HD2 PRO 29 2HD PRO 29 17.354 -7.768 7.973
215 HD3 PRO 29 1HD PRO 29 15.830 -7.769 7.066
216 H ASP 30 H ASP 30 15.471 -11.802 10.660
217 HA ASP 30 HA ASP 30 16.668 -11.228 13.118
218 HB2 ASP 30 2HB ASP 30 17.170 -13.631 13.240
219 HB3 ASP 30 1HB ASP 30 15.533 -13.351 12.655
220 H SER 31 H SER 31 18.057 -11.761 9.957
221 HA SER 31 HA SER 31 20.739 -12.135 10.841
222 HB2 SER 31 2HB SER 31 19.497 -12.549 8.480
223 HB3 SER 31 1HB SER 31 20.277 -11.004 8.140
224 HG SER 31 HG SER 31 22.236 -12.088 9.010
225 H TYR 32 H TYR 32 22.285 -10.687 11.310
226 HA TYR 32 HA TYR 32 21.594 -7.974 11.763
227 HB2 TYR 32 2HB TYR 32 24.072 -9.614 12.005
228 HB3 TYR 32 1HB TYR 32 24.243 -7.861 11.983
229 HD1 TYR 32 2HD TYR 32 21.869 -6.990 13.472
230 HD2 TYR 32 1HD TYR 32 24.499 -10.254 14.199
231 HE1 TYR 32 2HE TYR 32 21.305 -6.903 15.863
232 HE2 TYR 32 1HE TYR 32 23.943 -10.177 16.593
233 HH TYR 32 HH TYR 32 21.859 -9.313 17.973
Start of MODEL 4
1 H1 SER 1 1HT SER 1 -22.084 -4.067 -11.518
2 H2 SER 1 2HT SER 1 -21.880 -5.713 -11.966
3 H3 SER 1 3HT SER 1 -22.108 -4.514 -13.173
4 HA SER 1 HA SER 1 -19.821 -5.276 -12.957
5 HB2 SER 1 2HB SER 1 -20.805 -2.489 -12.707
6 HB3 SER 1 1HB SER 1 -19.075 -2.725 -12.463
7 HG SER 1 HG SER 1 -20.627 -3.373 -14.738
8 H VAL 2 H VAL 2 -17.822 -4.099 -11.681
9 HA VAL 2 HA VAL 2 -18.243 -4.153 -8.811
10 HB VAL 2 HB VAL 2 -16.266 -6.070 -10.045
11 HG11 VAL 2 1HG1 VAL 2 -15.435 -5.635 -7.951
12 HG12 VAL 2 2HG1 VAL 2 -16.523 -6.977 -7.595
13 HG13 VAL 2 3HG1 VAL 2 -17.029 -5.320 -7.264
14 HG21 VAL 2 3HG2 VAL 2 -17.821 -7.846 -9.224
15 HG22 VAL 2 1HG2 VAL 2 -18.448 -6.898 -10.575
16 HG23 VAL 2 2HG2 VAL 2 -19.021 -6.585 -8.936
17 H GLN 3 H GLN 3 -16.412 -3.389 -7.605
18 HA GLN 3 HA GLN 3 -14.923 -1.392 -9.045
19 HB2 GLN 3 2HB GLN 3 -15.905 -1.452 -6.549
20 HB3 GLN 3 1HB GLN 3 -14.267 -1.997 -6.213
21 HG2 GLN 3 2HG GLN 3 -13.344 0.000 -7.157
22 HG3 GLN 3 1HG GLN 3 -14.932 0.523 -7.715
23 HE21 GLN 3 1HE2 GLN 3 -12.684 0.610 -5.206
24 HE22 GLN 3 2HE2 GLN 3 -13.665 1.389 -4.017
25 H ILE 4 H ILE 4 -13.070 -1.773 -10.049
26 HA ILE 4 HA ILE 4 -11.380 -3.986 -9.111
27 HB ILE 4 HB ILE 4 -10.291 -3.571 -11.450
28 HG12 ILE 4 2HG1 ILE 4 -11.900 -2.835 -13.152
29 HG13 ILE 4 1HG1 ILE 4 -13.081 -2.490 -11.892
30 HG21 ILE 4 1HG2 ILE 4 -12.377 -4.984 -12.382
31 HG22 ILE 4 2HG2 ILE 4 -12.666 -5.113 -10.647
32 HG23 ILE 4 3HG2 ILE 4 -11.133 -5.657 -11.329
33 HD11 ILE 4 3HD1 ILE 4 -12.062 -0.566 -11.276
34 HD12 ILE 4 1HD1 ILE 4 -11.537 -0.621 -12.959
35 HD13 ILE 4 2HD1 ILE 4 -10.450 -1.159 -11.679
36 H LEU 5 H LEU 5 -11.410 -1.308 -7.942
37 HA LEU 5 HA LEU 5 -8.564 -0.797 -8.097
38 HB2 LEU 5 2HB LEU 5 -10.175 0.688 -9.735
39 HB3 LEU 5 1HB LEU 5 -10.100 1.697 -8.303
40 HG LEU 5 HG LEU 5 -7.523 0.650 -9.337
41 HD11 LEU 5 1HD1 LEU 5 -8.566 3.107 -10.632
42 HD12 LEU 5 2HD1 LEU 5 -9.114 1.550 -11.254
43 HD13 LEU 5 3HD1 LEU 5 -7.391 1.928 -11.214
44 HD21 LEU 5 3HD2 LEU 5 -8.056 2.246 -7.323
45 HD22 LEU 5 1HD2 LEU 5 -8.108 3.473 -8.588
46 HD23 LEU 5 2HD2 LEU 5 -6.644 2.520 -8.345
47 H ARG 6 H ARG 6 -9.965 -1.879 -6.018
48 HA ARG 6 HA ARG 6 -10.660 0.193 -4.122
49 HB2 ARG 6 2HB ARG 6 -11.578 -2.302 -4.410
50 HB3 ARG 6 1HB ARG 6 -10.296 -2.627 -3.253
51 HG2 ARG 6 2HG ARG 6 -11.314 -1.443 -1.577
52 HG3 ARG 6 1HG ARG 6 -12.198 -0.407 -2.700
53 HD2 ARG 6 2HD ARG 6 -13.917 -1.857 -2.890
54 HD3 ARG 6 1HD ARG 6 -12.865 -3.270 -2.827
55 HE ARG 6 HE ARG 6 -13.195 -3.379 -0.561
56 HH11 ARG 6 1HH1 ARG 6 -14.295 -0.278 -1.724
57 HH12 ARG 6 2HH1 ARG 6 -15.027 0.167 -0.219
58 HH21 ARG 6 1HH2 ARG 6 -14.158 -2.795 1.418
59 HH22 ARG 6 2HH2 ARG 6 -14.949 -1.262 1.565
60 H CYS 7 H CYS 7 -9.654 0.309 -1.985
61 HA CYS 7 HA CYS 7 -6.839 -0.527 -1.953
62 HB2 CYS 7 2HB CYS 7 -7.935 2.240 -1.508
63 HB3 CYS 7 1HB CYS 7 -6.392 1.746 -0.820
64 HA PRO 8 HA PRO 8 -9.304 -1.679 1.914
65 HB2 PRO 8 2HB PRO 8 -7.510 -4.026 1.553
66 HB3 PRO 8 1HB PRO 8 -9.219 -3.973 1.997
67 HG2 PRO 8 2HG PRO 8 -8.474 -4.705 -0.453
68 HG3 PRO 8 1HG PRO 8 -9.917 -3.705 -0.198
69 HD2 PRO 8 2HD PRO 8 -7.209 -2.913 -1.179
70 HD3 PRO 8 1HD PRO 8 -8.807 -2.322 -1.675
71 H ASP 9 H ASP 9 -8.021 -2.928 3.876
72 HA ASP 9 HA ASP 9 -6.285 -1.016 4.938
73 HB2 ASP 9 2HB ASP 9 -7.115 -3.771 5.685
74 HB3 ASP 9 1HB ASP 9 -5.653 -3.145 6.443
75 H GLY 10 H GLY 10 -4.403 -0.497 4.009
76 HA2 GLY 10 2HA GLY 10 -2.042 -1.578 4.201
77 HA3 GLY 10 1HA GLY 10 -2.691 -2.640 2.960
78 H MET 11 H MET 11 -4.248 -0.413 1.766
79 HA MET 11 HA MET 11 -2.011 0.855 0.342
80 HB2 MET 11 2HB MET 11 -4.867 0.419 -0.554
81 HB3 MET 11 1HB MET 11 -3.602 1.174 -1.514
82 HG2 MET 11 2HG MET 11 -2.346 -1.078 -1.067
83 HG3 MET 11 1HG MET 11 -3.976 -1.683 -0.780
84 HE1 MET 11 3HE MET 11 -4.516 -3.111 -2.174
85 HE2 MET 11 1HE MET 11 -4.098 -3.270 -3.880
86 HE3 MET 11 2HE MET 11 -5.576 -2.430 -3.408
87 H GLN 12 H GLN 12 -1.612 2.852 1.023
88 HA GLN 12 HA GLN 12 -3.687 4.468 2.230
89 HB2 GLN 12 2HB GLN 12 -1.318 4.366 3.080
90 HB3 GLN 12 1HB GLN 12 -0.830 5.248 1.639
91 HG2 GLN 12 2HG GLN 12 -2.840 6.817 2.595
92 HG3 GLN 12 1HG GLN 12 -2.126 6.194 4.082
93 HE21 GLN 12 1HE2 GLN 12 -1.532 8.019 1.162
94 HE22 GLN 12 2HE2 GLN 12 -0.099 8.810 1.714
95 H MET 13 H MET 13 -4.854 5.977 1.237
96 HA MET 13 HA MET 13 -4.533 6.422 -1.580
97 HB2 MET 13 2HB MET 13 -6.489 7.259 0.510
98 HB3 MET 13 1HB MET 13 -6.422 8.187 -0.983
99 HG2 MET 13 2HG MET 13 -7.310 6.524 -2.222
100 HG3 MET 13 1HG MET 13 -6.552 5.253 -1.264
101 HE1 MET 13 3HE MET 13 -9.223 7.502 -2.031
102 HE2 MET 13 1HE MET 13 -9.810 7.990 -0.442
103 HE3 MET 13 2HE MET 13 -10.653 6.734 -1.346
104 H LEU 14 H LEU 14 -3.730 8.172 -2.623
105 HA LEU 14 HA LEU 14 -2.299 10.128 -0.985
106 HB2 LEU 14 2HB LEU 14 -2.122 9.427 -3.911
107 HB3 LEU 14 1HB LEU 14 -1.224 10.741 -3.175
108 HG LEU 14 HG LEU 14 -0.950 7.806 -2.527
109 HD11 LEU 14 1HD1 LEU 14 0.286 7.965 -4.416
110 HD12 LEU 14 2HD1 LEU 14 1.486 8.590 -3.284
111 HD13 LEU 14 3HD1 LEU 14 0.520 9.706 -4.250
112 HD21 LEU 14 3HD2 LEU 14 -0.389 8.639 -0.500
113 HD22 LEU 14 1HD2 LEU 14 -0.050 10.250 -1.133
114 HD23 LEU 14 2HD2 LEU 14 1.141 8.962 -1.314
115 H ARG 15 H ARG 15 -2.268 12.402 -1.745
116 HA ARG 15 HA ARG 15 -4.843 13.488 -1.819
117 HB2 ARG 15 2HB ARG 15 -3.672 15.628 -2.422
118 HB3 ARG 15 1HB ARG 15 -3.050 14.824 -0.987
119 HG2 ARG 15 2HG ARG 15 -1.483 13.773 -2.970
120 HG3 ARG 15 1HG ARG 15 -1.735 15.431 -3.517
121 HD2 ARG 15 2HD ARG 15 -0.907 14.796 -0.702
122 HD3 ARG 15 1HD ARG 15 0.273 14.971 -1.999
123 HE ARG 15 HE ARG 15 -1.257 17.229 -2.148
124 HH11 ARG 15 1HH1 ARG 15 0.643 15.699 0.347
125 HH12 ARG 15 2HH1 ARG 15 1.038 17.191 1.134
126 HH21 ARG 15 1HH2 ARG 15 -0.739 19.192 -1.115
127 HH22 ARG 15 2HH2 ARG 15 0.254 19.173 0.306
128 H SER 16 H SER 16 -2.672 12.545 -4.383
129 HA SER 16 HA SER 16 -4.119 13.888 -6.465
130 HB2 SER 16 2HB SER 16 -1.804 12.018 -6.322
131 HB3 SER 16 1HB SER 16 -2.683 12.108 -7.848
132 HG SER 16 HG SER 16 -1.295 13.720 -8.080
133 H GLY 17 H GLY 17 -4.190 10.729 -4.971
134 HA2 GLY 17 2HA GLY 17 -6.534 9.764 -5.174
135 HA3 GLY 17 1HA GLY 17 -6.254 9.887 -6.905
136 H GLN 18 H GLN 18 -3.392 9.131 -6.536
137 HA GLN 18 HA GLN 18 -3.625 6.386 -7.021
138 HB2 GLN 18 2HB GLN 18 -1.650 8.210 -7.345
139 HB3 GLN 18 1HB GLN 18 -1.039 7.334 -5.947
140 HG2 GLN 18 2HG GLN 18 -0.426 5.603 -7.189
141 HG3 GLN 18 1HG GLN 18 -1.995 5.529 -7.990
142 HE21 GLN 18 1HE2 GLN 18 1.256 6.137 -8.383
143 HE22 GLN 18 2HE2 GLN 18 1.200 6.920 -9.922
144 H CYS 19 H CYS 19 -2.293 4.728 -5.718
145 HA CYS 19 HA CYS 19 -2.815 5.082 -2.843
146 HB2 CYS 19 2HB CYS 19 -3.835 3.045 -4.681
147 HB3 CYS 19 1HB CYS 19 -3.066 2.365 -3.251
148 H VAL 20 H VAL 20 -1.041 4.870 -1.661
149 HA VAL 20 HA VAL 20 1.285 3.513 -2.821
150 HB VAL 20 HB VAL 20 1.218 5.249 -0.354
151 HG11 VAL 20 1HG1 VAL 20 3.668 5.477 -0.939
152 HG12 VAL 20 2HG1 VAL 20 3.427 4.147 -2.072
153 HG13 VAL 20 3HG1 VAL 20 3.157 3.897 -0.348
154 HG21 VAL 20 3HG2 VAL 20 1.848 7.112 -1.658
155 HG22 VAL 20 1HG2 VAL 20 0.471 6.393 -2.490
156 HG23 VAL 20 2HG2 VAL 20 2.104 6.119 -3.092
157 H ALA 21 H ALA 21 1.702 1.504 -2.211
158 HA ALA 21 HA ALA 21 0.332 0.156 -0.159
159 HB1 ALA 21 1HB ALA 21 2.037 -1.636 -0.520
160 HB2 ALA 21 2HB ALA 21 2.863 -0.546 -1.632
161 HB3 ALA 21 3HB ALA 21 1.225 -1.092 -1.988
162 H THR 22 H THR 22 0.864 -0.372 1.919
163 HA THR 22 HA THR 22 2.859 1.302 3.190
164 HB THR 22 HB THR 22 0.630 1.040 4.203
165 HG1 THR 22 1HG THR 22 2.673 -0.124 5.787
166 HG21 THR 22 3HG2 THR 22 0.621 -1.522 3.537
167 HG22 THR 22 1HG2 THR 22 -0.299 -0.900 4.908
168 HG23 THR 22 2HG2 THR 22 1.259 -1.683 5.173
169 H THR 23 H THR 23 4.340 -0.209 1.687
170 HA THR 23 HA THR 23 5.341 -2.369 3.424
171 HB THR 23 HB THR 23 6.421 -2.947 0.991
172 HG1 THR 23 1HG THR 23 3.800 -2.000 0.479
173 HG21 THR 23 3HG2 THR 23 4.244 -4.412 0.723
174 HG22 THR 23 1HG2 THR 23 3.995 -3.904 2.394
175 HG23 THR 23 2HG2 THR 23 5.467 -4.768 1.942
176 H GLU 24 H GLU 24 6.024 0.451 3.562
177 HA GLU 24 HA GLU 24 8.492 0.983 2.317
178 HB2 GLU 24 2HB GLU 24 7.727 2.162 4.968
179 HB3 GLU 24 1HB GLU 24 8.599 2.904 3.639
180 HG2 GLU 24 2HG GLU 24 6.706 3.858 3.020
181 HG3 GLU 24 1HG GLU 24 6.112 2.257 2.580
182 HA PRO 25 HA PRO 25 10.236 -0.430 6.788
183 HB2 PRO 25 2HB PRO 25 8.384 -2.774 6.879
184 HB3 PRO 25 1HB PRO 25 9.094 -1.848 8.208
185 HG2 PRO 25 2HG PRO 25 6.558 -1.473 7.511
186 HG3 PRO 25 1HG PRO 25 7.583 -0.104 7.978
187 HD2 PRO 25 2HD PRO 25 6.642 -0.933 5.278
188 HD3 PRO 25 1HD PRO 25 6.960 0.691 5.915
189 HA PRO 26 HA PRO 26 12.339 -2.948 3.588
190 HB2 PRO 26 2HB PRO 26 14.584 -2.441 5.462
191 HB3 PRO 26 1HB PRO 26 14.506 -2.215 3.712
192 HG2 PRO 26 2HG PRO 26 14.453 -0.122 5.363
193 HG3 PRO 26 1HG PRO 26 13.465 -0.152 3.889
194 HD2 PRO 26 2HD PRO 26 12.650 -0.605 6.731
195 HD3 PRO 26 1HD PRO 26 11.791 0.250 5.433
196 H PHE 27 H PHE 27 14.461 -4.530 4.391
197 HA PHE 27 HA PHE 27 13.056 -6.613 5.845
198 HB2 PHE 27 2HB PHE 27 14.699 -6.718 3.695
199 HB3 PHE 27 1HB PHE 27 15.847 -7.071 4.982
200 HD1 PHE 27 1HD PHE 27 12.550 -8.120 3.630
201 HD2 PHE 27 2HD PHE 27 16.024 -9.221 5.827
202 HE1 PHE 27 1HE PHE 27 11.783 -10.457 3.661
203 HE2 PHE 27 2HE PHE 27 15.262 -11.561 5.863
204 HZ PHE 27 HZ PHE 27 13.140 -12.182 4.779
205 H ASP 28 H ASP 28 13.183 -6.710 7.982
206 HA ASP 28 HA ASP 28 14.990 -5.265 9.558
207 HB2 ASP 28 2HB ASP 28 12.716 -6.792 10.016
208 HB3 ASP 28 1HB ASP 28 13.982 -7.665 10.875
209 HA PRO 29 HA PRO 29 17.235 -9.641 10.195
210 HB2 PRO 29 2HB PRO 29 16.693 -10.612 7.428
211 HB3 PRO 29 1HB PRO 29 16.839 -11.527 8.932
212 HG2 PRO 29 2HG PRO 29 14.451 -11.078 7.848
213 HG3 PRO 29 1HG PRO 29 14.678 -11.021 9.607
214 HD2 PRO 29 2HD PRO 29 14.349 -8.784 7.660
215 HD3 PRO 29 1HD PRO 29 13.781 -8.917 9.337
216 H ASP 30 H ASP 30 18.909 -8.091 10.147
217 HA ASP 30 HA ASP 30 20.072 -7.353 7.592
218 HB2 ASP 30 2HB ASP 30 21.614 -5.986 8.932
219 HB3 ASP 30 1HB ASP 30 19.938 -5.670 9.368
220 H SER 31 H SER 31 20.730 -9.485 10.289
221 HA SER 31 HA SER 31 22.468 -11.117 8.769
222 HB2 SER 31 2HB SER 31 23.713 -9.100 10.608
223 HB3 SER 31 1HB SER 31 24.472 -10.679 10.402
224 HG SER 31 HG SER 31 25.347 -9.393 8.854
225 H TYR 32 H TYR 32 20.164 -11.398 10.431
226 HA TYR 32 HA TYR 32 21.099 -13.547 12.116
227 HB2 TYR 32 2HB TYR 32 20.961 -11.165 13.374
228 HB3 TYR 32 1HB TYR 32 19.297 -11.701 13.574
229 HD1 TYR 32 2HD TYR 32 22.820 -12.750 14.143
230 HD2 TYR 32 1HD TYR 32 18.741 -13.228 15.260
231 HE1 TYR 32 2HE TYR 32 23.509 -14.153 16.041
232 HE2 TYR 32 1HE TYR 32 19.420 -14.631 17.160
233 HH TYR 32 HH TYR 32 21.659 -14.825 18.602
Start of MODEL 5
1 H1 SER 1 1HT SER 1 -18.487 3.010 0.191
2 H2 SER 1 2HT SER 1 -20.121 2.600 -0.141
3 H3 SER 1 3HT SER 1 -19.684 4.236 0.145
4 HA SER 1 HA SER 1 -20.080 3.588 -2.202
5 HB2 SER 1 2HB SER 1 -18.067 4.906 -2.933
6 HB3 SER 1 1HB SER 1 -18.964 5.647 -1.608
7 HG SER 1 HG SER 1 -16.617 4.071 -1.343
8 H VAL 2 H VAL 2 -19.740 2.082 -3.699
9 HA VAL 2 HA VAL 2 -17.817 -0.015 -3.227
10 HB VAL 2 HB VAL 2 -20.046 -0.551 -4.104
11 HG11 VAL 2 1HG1 VAL 2 -19.149 0.981 -6.541
12 HG12 VAL 2 2HG1 VAL 2 -20.461 1.416 -5.445
13 HG13 VAL 2 3HG1 VAL 2 -20.594 -0.026 -6.452
14 HG21 VAL 2 3HG2 VAL 2 -19.366 -2.189 -5.649
15 HG22 VAL 2 1HG2 VAL 2 -17.962 -1.919 -4.616
16 HG23 VAL 2 2HG2 VAL 2 -18.022 -1.204 -6.229
17 H GLN 3 H GLN 3 -16.276 -0.730 -4.851
18 HA GLN 3 HA GLN 3 -15.451 1.201 -6.852
19 HB2 GLN 3 2HB GLN 3 -14.156 1.005 -4.279
20 HB3 GLN 3 1HB GLN 3 -13.037 0.561 -5.561
21 HG2 GLN 3 2HG GLN 3 -14.673 3.054 -5.758
22 HG3 GLN 3 1HG GLN 3 -13.182 3.019 -4.816
23 HE21 GLN 3 1HE2 GLN 3 -14.117 4.265 -7.458
24 HE22 GLN 3 2HE2 GLN 3 -12.824 3.906 -8.547
25 H ILE 4 H ILE 4 -13.481 0.343 -8.069
26 HA ILE 4 HA ILE 4 -13.416 -2.594 -8.085
27 HB ILE 4 HB ILE 4 -13.574 -0.996 -10.635
28 HG12 ILE 4 2HG1 ILE 4 -15.835 -2.552 -9.370
29 HG13 ILE 4 1HG1 ILE 4 -15.663 -0.807 -9.218
30 HG21 ILE 4 1HG2 ILE 4 -12.731 -3.559 -10.177
31 HG22 ILE 4 2HG2 ILE 4 -13.341 -2.943 -11.712
32 HG23 ILE 4 3HG2 ILE 4 -14.424 -3.789 -10.609
33 HD11 ILE 4 3HD1 ILE 4 -16.297 -0.423 -11.357
34 HD12 ILE 4 1HD1 ILE 4 -17.159 -1.937 -11.086
35 HD13 ILE 4 2HD1 ILE 4 -15.621 -1.940 -11.950
36 H LEU 5 H LEU 5 -11.537 -0.603 -7.097
37 HA LEU 5 HA LEU 5 -9.347 -0.705 -9.020
38 HB2 LEU 5 2HB LEU 5 -9.909 0.828 -6.532
39 HB3 LEU 5 1HB LEU 5 -8.231 0.554 -6.964
40 HG LEU 5 HG LEU 5 -10.289 1.929 -8.693
41 HD11 LEU 5 1HD1 LEU 5 -9.139 2.996 -6.525
42 HD12 LEU 5 2HD1 LEU 5 -9.513 3.925 -7.977
43 HD13 LEU 5 3HD1 LEU 5 -7.877 3.321 -7.713
44 HD21 LEU 5 3HD2 LEU 5 -7.444 1.124 -9.143
45 HD22 LEU 5 1HD2 LEU 5 -8.106 2.552 -9.938
46 HD23 LEU 5 2HD2 LEU 5 -8.835 0.970 -10.217
47 H ARG 6 H ARG 6 -10.334 -2.043 -5.944
48 HA ARG 6 HA ARG 6 -9.493 -3.703 -4.638
49 HB2 ARG 6 2HB ARG 6 -9.684 -5.018 -6.678
50 HB3 ARG 6 1HB ARG 6 -8.109 -4.453 -7.219
51 HG2 ARG 6 2HG ARG 6 -8.076 -5.723 -4.585
52 HG3 ARG 6 1HG ARG 6 -8.581 -6.788 -5.897
53 HD2 ARG 6 2HD ARG 6 -6.246 -5.114 -6.497
54 HD3 ARG 6 1HD ARG 6 -5.999 -6.290 -5.208
55 HE ARG 6 HE ARG 6 -6.221 -6.832 -7.992
56 HH11 ARG 6 1HH1 ARG 6 -6.946 -8.139 -4.839
57 HH12 ARG 6 2HH1 ARG 6 -6.904 -9.786 -5.373
58 HH21 ARG 6 1HH2 ARG 6 -6.167 -8.996 -8.698
59 HH22 ARG 6 2HH2 ARG 6 -6.462 -10.272 -7.565
60 H CYS 7 H CYS 7 -8.265 -2.730 -3.118
61 HA CYS 7 HA CYS 7 -5.378 -2.664 -3.600
62 HB2 CYS 7 2HB CYS 7 -7.113 -0.360 -2.850
63 HB3 CYS 7 1HB CYS 7 -5.533 -0.475 -2.083
64 HA PRO 8 HA PRO 8 -6.778 -4.831 0.362
65 HB2 PRO 8 2HB PRO 8 -4.539 -6.558 -0.564
66 HB3 PRO 8 1HB PRO 8 -6.112 -7.013 0.099
67 HG2 PRO 8 2HG PRO 8 -5.616 -7.261 -2.505
68 HG3 PRO 8 1HG PRO 8 -7.202 -6.718 -1.928
69 HD2 PRO 8 2HD PRO 8 -4.969 -5.128 -3.119
70 HD3 PRO 8 1HD PRO 8 -6.723 -4.944 -3.329
71 H ASP 9 H ASP 9 -4.852 -5.933 1.879
72 HA ASP 9 HA ASP 9 -3.563 -3.773 3.059
73 HB2 ASP 9 2HB ASP 9 -3.357 -6.729 3.289
74 HB3 ASP 9 1HB ASP 9 -2.031 -5.783 3.956
75 H GLY 10 H GLY 10 -1.690 -2.736 2.728
76 HA2 GLY 10 2HA GLY 10 0.661 -2.786 2.127
77 HA3 GLY 10 1HA GLY 10 0.257 -3.948 0.871
78 H MET 11 H MET 11 -2.148 -2.409 0.091
79 HA MET 11 HA MET 11 -0.793 -0.176 -1.278
80 HB2 MET 11 2HB MET 11 -2.974 -1.992 -2.315
81 HB3 MET 11 1HB MET 11 -2.391 -0.561 -3.153
82 HG2 MET 11 2HG MET 11 -0.329 -1.518 -3.619
83 HG3 MET 11 1HG MET 11 -0.506 -2.743 -2.363
84 HE1 MET 11 3HE MET 11 -1.934 -2.663 -6.618
85 HE2 MET 11 1HE MET 11 -1.611 -1.291 -5.558
86 HE3 MET 11 2HE MET 11 -3.215 -2.023 -5.589
87 H GLN 12 H GLN 12 -1.468 1.680 -0.432
88 HA GLN 12 HA GLN 12 -4.315 1.938 0.285
89 HB2 GLN 12 2HB GLN 12 -1.825 2.928 1.571
90 HB3 GLN 12 1HB GLN 12 -3.231 3.984 1.625
91 HG2 GLN 12 2HG GLN 12 -4.198 2.768 3.207
92 HG3 GLN 12 1HG GLN 12 -3.908 1.264 2.334
93 HE21 GLN 12 1HE2 GLN 12 -2.448 3.620 4.501
94 HE22 GLN 12 2HE2 GLN 12 -1.319 2.531 5.225
95 H MET 13 H MET 13 -5.447 3.749 -0.367
96 HA MET 13 HA MET 13 -4.439 5.043 -2.736
97 HB2 MET 13 2HB MET 13 -6.695 6.171 -2.711
98 HB3 MET 13 1HB MET 13 -6.734 4.414 -2.788
99 HG2 MET 13 2HG MET 13 -7.664 4.203 -0.740
100 HG3 MET 13 1HG MET 13 -6.846 5.624 -0.098
101 HE1 MET 13 3HE MET 13 -8.744 6.155 1.214
102 HE2 MET 13 1HE MET 13 -10.165 7.044 0.666
103 HE3 MET 13 2HE MET 13 -8.569 7.788 0.573
104 H LEU 14 H LEU 14 -4.053 7.236 -3.024
105 HA LEU 14 HA LEU 14 -3.530 8.716 -0.540
106 HB2 LEU 14 2HB LEU 14 -2.150 10.175 -2.179
107 HB3 LEU 14 1HB LEU 14 -1.515 8.626 -1.661
108 HG LEU 14 HG LEU 14 -3.091 8.684 -4.181
109 HD11 LEU 14 1HD1 LEU 14 -1.400 9.574 -5.505
110 HD12 LEU 14 2HD1 LEU 14 -0.194 9.442 -4.223
111 HD13 LEU 14 3HD1 LEU 14 -1.457 10.670 -4.124
112 HD21 LEU 14 3HD2 LEU 14 -2.159 6.607 -3.183
113 HD22 LEU 14 1HD2 LEU 14 -0.542 7.270 -3.419
114 HD23 LEU 14 2HD2 LEU 14 -1.572 6.940 -4.813
115 H ARG 15 H ARG 15 -3.492 11.246 -1.152
116 HA ARG 15 HA ARG 15 -6.177 12.004 -1.381
117 HB2 ARG 15 2HB ARG 15 -3.693 13.682 -1.780
118 HB3 ARG 15 1HB ARG 15 -5.315 14.314 -1.533
119 HG2 ARG 15 2HG ARG 15 -4.597 14.448 0.600
120 HG3 ARG 15 1HG ARG 15 -5.134 12.768 0.636
121 HD2 ARG 15 2HD ARG 15 -3.067 12.059 1.043
122 HD3 ARG 15 1HD ARG 15 -2.444 12.925 -0.361
123 HE ARG 15 HE ARG 15 -2.306 13.748 2.388
124 HH11 ARG 15 1HH1 ARG 15 -2.286 14.839 -0.927
125 HH12 ARG 15 2HH1 ARG 15 -1.436 16.305 -0.571
126 HH21 ARG 15 1HH2 ARG 15 -1.186 15.675 2.859
127 HH22 ARG 15 2HH2 ARG 15 -0.811 16.780 1.577
128 H SER 16 H SER 16 -3.612 11.796 -3.769
129 HA SER 16 HA SER 16 -4.941 13.175 -5.847
130 HB2 SER 16 2HB SER 16 -2.580 11.389 -5.632
131 HB3 SER 16 1HB SER 16 -3.315 11.536 -7.228
132 HG SER 16 HG SER 16 -3.172 13.891 -6.811
133 H GLY 17 H GLY 17 -5.096 9.888 -4.684
134 HA2 GLY 17 2HA GLY 17 -7.275 8.788 -5.159
135 HA3 GLY 17 1HA GLY 17 -7.040 9.283 -6.829
136 H GLN 18 H GLN 18 -4.176 8.661 -6.786
137 HA GLN 18 HA GLN 18 -4.284 6.020 -7.719
138 HB2 GLN 18 2HB GLN 18 -1.813 7.446 -6.731
139 HB3 GLN 18 1HB GLN 18 -1.890 6.138 -7.903
140 HG2 GLN 18 2HG GLN 18 -2.327 7.525 -9.594
141 HG3 GLN 18 1HG GLN 18 -3.483 8.463 -8.651
142 HE21 GLN 18 1HE2 GLN 18 -2.814 10.476 -9.147
143 HE22 GLN 18 2HE2 GLN 18 -1.252 11.107 -8.767
144 H CYS 19 H CYS 19 -2.768 4.266 -6.839
145 HA CYS 19 HA CYS 19 -3.215 4.032 -3.937
146 HB2 CYS 19 2HB CYS 19 -4.244 2.405 -5.832
147 HB3 CYS 19 1HB CYS 19 -2.719 1.580 -5.522
148 H VAL 20 H VAL 20 -1.364 4.507 -2.933
149 HA VAL 20 HA VAL 20 1.181 3.669 -4.098
150 HB VAL 20 HB VAL 20 1.002 5.979 -3.279
151 HG11 VAL 20 1HG1 VAL 20 0.520 4.675 -0.605
152 HG12 VAL 20 2HG1 VAL 20 -0.585 5.719 -1.498
153 HG13 VAL 20 3HG1 VAL 20 0.906 6.381 -0.829
154 HG21 VAL 20 3HG2 VAL 20 3.114 6.069 -2.351
155 HG22 VAL 20 1HG2 VAL 20 3.130 4.483 -3.123
156 HG23 VAL 20 2HG2 VAL 20 2.868 4.615 -1.385
157 H ALA 21 H ALA 21 2.673 2.368 -3.016
158 HA ALA 21 HA ALA 21 1.476 0.468 -1.170
159 HB1 ALA 21 1HB ALA 21 3.522 -0.841 -1.534
160 HB2 ALA 21 2HB ALA 21 4.174 0.470 -2.518
161 HB3 ALA 21 3HB ALA 21 2.737 -0.403 -3.053
162 H THR 22 H THR 22 1.825 0.427 0.958
163 HA THR 22 HA THR 22 3.616 2.404 2.117
164 HB THR 22 HB THR 22 1.337 2.212 3.000
165 HG1 THR 22 1HG THR 22 1.995 2.515 4.992
166 HG21 THR 22 3HG2 THR 22 0.344 0.342 3.699
167 HG22 THR 22 1HG2 THR 22 1.808 -0.270 4.467
168 HG23 THR 22 2HG2 THR 22 1.569 -0.479 2.731
169 H THR 23 H THR 23 5.141 0.585 0.880
170 HA THR 23 HA THR 23 6.642 -0.547 3.053
171 HB THR 23 HB THR 23 5.081 -2.365 2.759
172 HG1 THR 23 1HG THR 23 7.479 -3.056 1.419
173 HG21 THR 23 3HG2 THR 23 5.913 -2.632 -0.109
174 HG22 THR 23 1HG2 THR 23 4.458 -1.765 0.386
175 HG23 THR 23 2HG2 THR 23 4.627 -3.481 0.750
176 H GLU 24 H GLU 24 7.667 1.350 1.709
177 HA GLU 24 HA GLU 24 8.886 0.625 -0.776
178 HB2 GLU 24 2HB GLU 24 8.565 2.994 0.775
179 HB3 GLU 24 1HB GLU 24 10.281 2.790 0.450
180 HG2 GLU 24 2HG GLU 24 8.443 2.409 -1.830
181 HG3 GLU 24 1HG GLU 24 8.614 4.050 -1.206
182 HA PRO 25 HA PRO 25 12.935 0.253 1.788
183 HB2 PRO 25 2HB PRO 25 12.823 0.470 4.479
184 HB3 PRO 25 1HB PRO 25 12.997 1.874 3.421
185 HG2 PRO 25 2HG PRO 25 10.538 0.796 4.748
186 HG3 PRO 25 1HG PRO 25 11.081 2.476 4.597
187 HD2 PRO 25 2HD PRO 25 9.184 1.394 2.985
188 HD3 PRO 25 1HD PRO 25 10.290 2.671 2.444
189 HA PRO 26 HA PRO 26 11.506 -3.993 2.596
190 HB2 PRO 26 2HB PRO 26 14.122 -4.762 1.541
191 HB3 PRO 26 1HB PRO 26 12.515 -5.130 0.911
192 HG2 PRO 26 2HG PRO 26 14.216 -3.441 -0.341
193 HG3 PRO 26 1HG PRO 26 12.454 -3.246 -0.404
194 HD2 PRO 26 2HD PRO 26 14.463 -1.800 1.286
195 HD3 PRO 26 1HD PRO 26 13.051 -1.159 0.418
196 H PHE 27 H PHE 27 13.414 -5.930 3.190
197 HA PHE 27 HA PHE 27 14.509 -6.834 4.965
198 HB2 PHE 27 2HB PHE 27 16.328 -5.414 4.164
199 HB3 PHE 27 1HB PHE 27 15.706 -4.059 5.097
200 HD1 PHE 27 1HD PHE 27 17.140 -7.461 5.403
201 HD2 PHE 27 2HD PHE 27 16.333 -3.752 7.329
202 HE1 PHE 27 1HE PHE 27 18.514 -8.162 7.320
203 HE2 PHE 27 2HE PHE 27 17.706 -4.447 9.249
204 HZ PHE 27 HZ PHE 27 18.799 -6.654 9.247
205 H ASP 28 H ASP 28 13.093 -7.340 6.530
206 HA ASP 28 HA ASP 28 11.747 -5.368 8.107
207 HB2 ASP 28 2HB ASP 28 10.960 -7.400 9.391
208 HB3 ASP 28 1HB ASP 28 10.561 -7.390 7.678
209 HA PRO 29 HA PRO 29 14.696 -4.938 11.364
210 HB2 PRO 29 2HB PRO 29 13.093 -4.283 13.437
211 HB3 PRO 29 1HB PRO 29 13.392 -3.181 12.087
212 HG2 PRO 29 2HG PRO 29 11.043 -4.965 12.593
213 HG3 PRO 29 1HG PRO 29 11.071 -3.291 12.009
214 HD2 PRO 29 2HD PRO 29 10.754 -5.440 10.364
215 HD3 PRO 29 1HD PRO 29 11.516 -3.922 9.845
216 H ASP 30 H ASP 30 15.162 -5.680 13.641
217 HA ASP 30 HA ASP 30 15.585 -7.387 15.082
218 HB2 ASP 30 2HB ASP 30 13.268 -6.994 15.751
219 HB3 ASP 30 1HB ASP 30 12.700 -8.061 14.473
220 H SER 31 H SER 31 17.067 -8.233 13.451
221 HA SER 31 HA SER 31 16.105 -10.686 12.155
222 HB2 SER 31 2HB SER 31 18.436 -10.395 10.952
223 HB3 SER 31 1HB SER 31 17.034 -9.460 10.430
224 HG SER 31 HG SER 31 18.942 -8.533 12.311
225 H TYR 32 H TYR 32 18.161 -12.232 11.821
226 HA TYR 32 HA TYR 32 20.084 -12.404 13.855
227 HB2 TYR 32 2HB TYR 32 18.143 -12.806 15.314
228 HB3 TYR 32 1HB TYR 32 17.656 -14.156 14.294
229 HD1 TYR 32 1HD TYR 32 20.495 -12.963 16.394
230 HD2 TYR 32 2HD TYR 32 18.408 -16.305 14.785
231 HE1 TYR 32 1HE TYR 32 21.886 -14.476 17.745
232 HE2 TYR 32 2HE TYR 32 19.793 -17.826 16.131
233 HH TYR 32 HH TYR 32 21.134 -17.693 18.264
Start of MODEL 6
1 H1 SER 1 1HT SER 1 -17.720 0.188 1.750
2 H2 SER 1 2HT SER 1 -18.698 -0.438 3.014
3 H3 SER 1 3HT SER 1 -19.238 0.906 2.093
4 HA SER 1 HA SER 1 -18.692 -1.744 0.949
5 HB2 SER 1 2HB SER 1 -21.077 -0.621 2.356
6 HB3 SER 1 1HB SER 1 -21.353 -1.644 0.946
7 HG SER 1 HG SER 1 -19.846 -3.149 2.074
8 H VAL 2 H VAL 2 -17.714 0.383 -0.329
9 HA VAL 2 HA VAL 2 -19.478 0.608 -2.629
10 HB VAL 2 HB VAL 2 -18.292 3.109 -1.429
11 HG11 VAL 2 1HG1 VAL 2 -20.502 2.947 -3.444
12 HG12 VAL 2 2HG1 VAL 2 -18.812 2.864 -3.942
13 HG13 VAL 2 3HG1 VAL 2 -19.413 4.289 -3.090
14 HG21 VAL 2 3HG2 VAL 2 -21.139 2.124 -1.263
15 HG22 VAL 2 1HG2 VAL 2 -20.561 3.701 -0.729
16 HG23 VAL 2 2HG2 VAL 2 -20.000 2.237 0.078
17 H GLN 3 H GLN 3 -17.973 -0.605 -3.770
18 HA GLN 3 HA GLN 3 -15.210 0.227 -3.892
19 HB2 GLN 3 2HB GLN 3 -15.709 -2.142 -3.982
20 HB3 GLN 3 1HB GLN 3 -16.736 -1.910 -5.389
21 HG2 GLN 3 2HG GLN 3 -14.916 -1.498 -6.793
22 HG3 GLN 3 1HG GLN 3 -13.828 -1.192 -5.440
23 HE21 GLN 3 1HE2 GLN 3 -13.727 -3.092 -7.735
24 HE22 GLN 3 2HE2 GLN 3 -13.468 -4.641 -7.018
25 H ILE 4 H ILE 4 -14.587 1.879 -5.095
26 HA ILE 4 HA ILE 4 -16.060 2.460 -7.578
27 HB ILE 4 HB ILE 4 -16.146 4.273 -5.928
28 HG12 ILE 4 2HG1 ILE 4 -15.390 6.086 -7.393
29 HG13 ILE 4 1HG1 ILE 4 -14.395 4.953 -8.303
30 HG21 ILE 4 1HG2 ILE 4 -13.701 5.465 -5.875
31 HG22 ILE 4 2HG2 ILE 4 -13.266 3.758 -5.810
32 HG23 ILE 4 3HG2 ILE 4 -14.351 4.438 -4.598
33 HD11 ILE 4 3HD1 ILE 4 -16.663 5.651 -9.269
34 HD12 ILE 4 1HD1 ILE 4 -17.350 4.560 -8.067
35 HD13 ILE 4 2HD1 ILE 4 -16.237 3.941 -9.287
36 H LEU 5 H LEU 5 -13.060 1.434 -6.308
37 HA LEU 5 HA LEU 5 -11.913 1.438 -8.979
38 HB2 LEU 5 2HB LEU 5 -10.380 2.562 -6.640
39 HB3 LEU 5 1HB LEU 5 -9.828 2.437 -8.299
40 HG LEU 5 HG LEU 5 -12.159 4.155 -7.459
41 HD11 LEU 5 1HD1 LEU 5 -10.784 5.970 -7.182
42 HD12 LEU 5 2HD1 LEU 5 -9.485 5.271 -8.149
43 HD13 LEU 5 3HD1 LEU 5 -9.778 4.685 -6.511
44 HD21 LEU 5 3HD2 LEU 5 -10.472 4.403 -9.928
45 HD22 LEU 5 1HD2 LEU 5 -12.074 5.069 -9.609
46 HD23 LEU 5 2HD2 LEU 5 -11.875 3.334 -9.870
47 H ARG 6 H ARG 6 -10.914 0.827 -5.621
48 HA ARG 6 HA ARG 6 -10.009 -0.995 -4.602
49 HB2 ARG 6 2HB ARG 6 -12.067 -2.107 -5.257
50 HB3 ARG 6 1HB ARG 6 -11.416 -2.433 -6.856
51 HG2 ARG 6 2HG ARG 6 -11.326 -4.438 -5.548
52 HG3 ARG 6 1HG ARG 6 -9.681 -3.857 -5.816
53 HD2 ARG 6 2HD ARG 6 -9.890 -4.554 -3.528
54 HD3 ARG 6 1HD ARG 6 -9.747 -2.797 -3.573
55 HE ARG 6 HE ARG 6 -12.453 -3.367 -3.579
56 HH11 ARG 6 1HH1 ARG 6 -9.730 -3.892 -1.460
57 HH12 ARG 6 2HH1 ARG 6 -10.689 -3.862 -0.017
58 HH21 ARG 6 1HH2 ARG 6 -13.715 -3.328 -1.683
59 HH22 ARG 6 2HH2 ARG 6 -12.949 -3.542 -0.143
60 H CYS 7 H CYS 7 -7.872 -1.162 -4.630
61 HA CYS 7 HA CYS 7 -6.464 -1.489 -7.158
62 HB2 CYS 7 2HB CYS 7 -5.866 -0.304 -4.592
63 HB3 CYS 7 1HB CYS 7 -4.601 -1.437 -5.054
64 HA PRO 8 HA PRO 8 -5.356 -5.733 -7.020
65 HB2 PRO 8 2HB PRO 8 -2.506 -4.935 -6.666
66 HB3 PRO 8 1HB PRO 8 -3.230 -6.026 -7.852
67 HG2 PRO 8 2HG PRO 8 -2.482 -3.564 -8.545
68 HG3 PRO 8 1HG PRO 8 -3.962 -4.290 -9.201
69 HD2 PRO 8 2HD PRO 8 -3.645 -2.191 -7.111
70 HD3 PRO 8 1HD PRO 8 -4.925 -2.397 -8.322
71 H ASP 9 H ASP 9 -3.875 -7.336 -5.747
72 HA ASP 9 HA ASP 9 -4.589 -7.130 -3.013
73 HB2 ASP 9 2HB ASP 9 -3.997 -9.206 -4.636
74 HB3 ASP 9 1HB ASP 9 -2.470 -9.056 -3.771
75 H GLY 10 H GLY 10 -3.653 -5.722 -1.678
76 HA2 GLY 10 2HA GLY 10 -1.904 -5.044 -0.272
77 HA3 GLY 10 1HA GLY 10 -0.761 -5.826 -1.354
78 H MET 11 H MET 11 -3.088 -3.794 -2.845
79 HA MET 11 HA MET 11 -1.035 -1.705 -3.154
80 HB2 MET 11 2HB MET 11 -3.106 -2.754 -5.069
81 HB3 MET 11 1HB MET 11 -2.349 -1.185 -5.303
82 HG2 MET 11 2HG MET 11 -0.791 -3.737 -5.023
83 HG3 MET 11 1HG MET 11 -1.337 -3.099 -6.572
84 HE1 MET 11 3HE MET 11 0.642 -1.930 -8.004
85 HE2 MET 11 1HE MET 11 1.116 -3.430 -7.205
86 HE3 MET 11 2HE MET 11 2.201 -2.039 -7.188
87 H GLN 12 H GLN 12 -1.495 0.207 -2.304
88 HA GLN 12 HA GLN 12 -4.325 0.938 -1.928
89 HB2 GLN 12 2HB GLN 12 -2.097 0.868 -0.005
90 HB3 GLN 12 1HB GLN 12 -3.037 2.355 0.023
91 HG2 GLN 12 2HG GLN 12 -4.472 -0.250 0.059
92 HG3 GLN 12 1HG GLN 12 -3.678 0.312 1.529
93 HE21 GLN 12 1HE2 GLN 12 -5.128 1.159 2.833
94 HE22 GLN 12 2HE2 GLN 12 -6.410 2.225 2.379
95 H MET 13 H MET 13 -4.935 2.912 -2.603
96 HA MET 13 HA MET 13 -3.125 4.432 -4.217
97 HB2 MET 13 2HB MET 13 -5.110 5.985 -4.438
98 HB3 MET 13 1HB MET 13 -5.374 4.329 -4.968
99 HG2 MET 13 2HG MET 13 -6.048 4.809 -2.165
100 HG3 MET 13 1HG MET 13 -7.011 5.736 -3.313
101 HE1 MET 13 3HE MET 13 -6.950 3.407 -5.850
102 HE2 MET 13 1HE MET 13 -8.087 4.678 -5.401
103 HE3 MET 13 2HE MET 13 -8.634 3.005 -5.515
104 H LEU 14 H LEU 14 -2.367 6.523 -3.887
105 HA LEU 14 HA LEU 14 -2.355 7.383 -1.074
106 HB2 LEU 14 2HB LEU 14 -0.402 8.263 -3.185
107 HB3 LEU 14 1HB LEU 14 -0.237 8.370 -1.443
108 HG LEU 14 HG LEU 14 -0.314 5.748 -2.925
109 HD11 LEU 14 1HD1 LEU 14 1.631 7.466 -3.400
110 HD12 LEU 14 2HD1 LEU 14 1.954 5.746 -3.176
111 HD13 LEU 14 3HD1 LEU 14 2.215 6.872 -1.845
112 HD21 LEU 14 3HD2 LEU 14 0.036 4.742 -0.937
113 HD22 LEU 14 1HD2 LEU 14 -0.717 6.204 -0.301
114 HD23 LEU 14 2HD2 LEU 14 1.039 6.058 -0.326
115 H ARG 15 H ARG 15 -1.831 9.871 -0.959
116 HA ARG 15 HA ARG 15 -4.115 11.235 -1.827
117 HB2 ARG 15 2HB ARG 15 -2.845 13.301 -1.147
118 HB3 ARG 15 1HB ARG 15 -2.957 12.052 0.086
119 HG2 ARG 15 2HG ARG 15 -0.589 11.684 -1.503
120 HG3 ARG 15 1HG ARG 15 -0.654 13.321 -0.847
121 HD2 ARG 15 2HD ARG 15 -1.397 11.882 1.320
122 HD3 ARG 15 1HD ARG 15 -0.317 10.736 0.524
123 HE ARG 15 HE ARG 15 0.427 13.123 1.895
124 HH11 ARG 15 1HH1 ARG 15 1.317 11.020 -0.744
125 HH12 ARG 15 2HH1 ARG 15 2.991 11.457 -0.693
126 HH21 ARG 15 1HH2 ARG 15 2.629 13.698 1.966
127 HH22 ARG 15 2HH2 ARG 15 3.737 12.976 0.847
128 H SER 16 H SER 16 -0.977 10.819 -3.298
129 HA SER 16 HA SER 16 -1.177 12.899 -5.209
130 HB2 SER 16 2HB SER 16 0.557 10.522 -4.803
131 HB3 SER 16 1HB SER 16 0.480 11.174 -6.440
132 HG SER 16 HG SER 16 1.125 13.182 -5.610
133 H GLY 17 H GLY 17 -2.230 9.546 -5.167
134 HA2 GLY 17 2HA GLY 17 -4.324 9.241 -6.533
135 HA3 GLY 17 1HA GLY 17 -3.402 9.945 -7.851
136 H GLN 18 H GLN 18 -0.940 8.527 -7.025
137 HA GLN 18 HA GLN 18 -1.323 6.181 -8.585
138 HB2 GLN 18 2HB GLN 18 0.842 7.711 -7.886
139 HB3 GLN 18 1HB GLN 18 1.093 6.269 -6.912
140 HG2 GLN 18 2HG GLN 18 0.385 5.800 -9.729
141 HG3 GLN 18 1HG GLN 18 1.954 6.549 -9.441
142 HE21 GLN 18 1HE2 GLN 18 1.084 3.829 -10.373
143 HE22 GLN 18 2HE2 GLN 18 1.943 2.729 -9.355
144 H CYS 19 H CYS 19 -0.502 4.005 -7.767
145 HA CYS 19 HA CYS 19 -1.582 3.507 -5.070
146 HB2 CYS 19 2HB CYS 19 -2.746 2.607 -7.315
147 HB3 CYS 19 1HB CYS 19 -1.587 1.306 -7.066
148 H VAL 20 H VAL 20 0.069 3.109 -3.751
149 HA VAL 20 HA VAL 20 2.402 1.654 -4.769
150 HB VAL 20 HB VAL 20 2.838 3.789 -3.624
151 HG11 VAL 20 1HG1 VAL 20 0.839 3.073 -1.918
152 HG12 VAL 20 2HG1 VAL 20 2.007 4.361 -1.620
153 HG13 VAL 20 3HG1 VAL 20 2.272 2.756 -0.940
154 HG21 VAL 20 3HG2 VAL 20 4.697 3.057 -2.438
155 HG22 VAL 20 1HG2 VAL 20 4.362 1.703 -3.520
156 HG23 VAL 20 2HG2 VAL 20 3.869 1.624 -1.828
157 H ALA 21 H ALA 21 3.340 -0.058 -3.492
158 HA ALA 21 HA ALA 21 1.366 -1.890 -2.527
159 HB1 ALA 21 1HB ALA 21 4.237 -2.429 -2.041
160 HB2 ALA 21 2HB ALA 21 3.720 -2.262 -3.719
161 HB3 ALA 21 3HB ALA 21 2.977 -3.481 -2.685
162 H THR 22 H THR 22 1.009 -2.625 -0.460
163 HA THR 22 HA THR 22 1.384 -0.802 1.655
164 HB THR 22 HB THR 22 -0.497 -2.276 1.725
165 HG1 THR 22 1HG THR 22 -0.310 -2.412 3.793
166 HG21 THR 22 3HG2 THR 22 0.277 -4.790 2.376
167 HG22 THR 22 1HG2 THR 22 1.471 -4.360 1.150
168 HG23 THR 22 2HG2 THR 22 -0.250 -4.279 0.773
169 H THR 23 H THR 23 3.680 -0.442 1.606
170 HA THR 23 HA THR 23 5.118 -2.400 3.240
171 HB THR 23 HB THR 23 6.617 -1.046 1.040
172 HG1 THR 23 1HG THR 23 4.882 -1.998 -0.039
173 HG21 THR 23 3HG2 THR 23 7.288 -2.911 2.974
174 HG22 THR 23 1HG2 THR 23 8.240 -2.455 1.561
175 HG23 THR 23 2HG2 THR 23 7.152 -3.841 1.482
176 H GLU 24 H GLU 24 3.916 -0.059 4.124
177 HA GLU 24 HA GLU 24 5.501 2.228 4.159
178 HB2 GLU 24 2HB GLU 24 3.157 1.305 5.468
179 HB3 GLU 24 1HB GLU 24 4.238 1.918 6.711
180 HG2 GLU 24 2HG GLU 24 2.801 3.685 5.992
181 HG3 GLU 24 1HG GLU 24 4.440 4.026 5.438
182 HA PRO 25 HA PRO 25 7.615 0.693 8.210
183 HB2 PRO 25 2HB PRO 25 7.192 -1.873 8.988
184 HB3 PRO 25 1HB PRO 25 6.167 -0.529 9.506
185 HG2 PRO 25 2HG PRO 25 5.708 -2.533 7.328
186 HG3 PRO 25 1HG PRO 25 4.568 -1.915 8.538
187 HD2 PRO 25 2HD PRO 25 4.615 -1.006 5.992
188 HD3 PRO 25 1HD PRO 25 4.181 0.032 7.366
189 HA PRO 26 HA PRO 26 10.671 -0.930 5.253
190 HB2 PRO 26 2HB PRO 26 12.391 -0.250 7.591
191 HB3 PRO 26 1HB PRO 26 12.613 0.138 5.882
192 HG2 PRO 26 2HG PRO 26 11.792 1.999 7.595
193 HG3 PRO 26 1HG PRO 26 11.118 1.912 5.956
194 HD2 PRO 26 2HD PRO 26 9.910 1.070 8.553
195 HD3 PRO 26 1HD PRO 26 9.136 1.789 7.127
196 H PHE 27 H PHE 27 12.716 -2.399 5.760
197 HA PHE 27 HA PHE 27 11.646 -4.783 6.979
198 HB2 PHE 27 2HB PHE 27 13.388 -4.306 4.896
199 HB3 PHE 27 1HB PHE 27 14.462 -4.870 6.173
200 HD1 PHE 27 2HD PHE 27 11.279 -5.750 4.457
201 HD2 PHE 27 1HD PHE 27 14.741 -7.136 6.507
202 HE1 PHE 27 2HE PHE 27 10.637 -8.073 3.961
203 HE2 PHE 27 1HE PHE 27 14.107 -9.462 6.014
204 HZ PHE 27 HZ PHE 27 12.052 -9.932 4.740
205 H ASP 28 H ASP 28 13.321 -6.131 8.305
206 HA ASP 28 HA ASP 28 13.638 -4.899 10.785
207 HB2 ASP 28 2HB ASP 28 15.222 -7.285 9.833
208 HB3 ASP 28 1HB ASP 28 14.738 -6.899 11.478
209 HA PRO 29 HA PRO 29 17.393 -2.624 10.938
210 HB2 PRO 29 2HB PRO 29 18.422 -4.610 12.911
211 HB3 PRO 29 1HB PRO 29 18.362 -2.847 13.019
212 HG2 PRO 29 2HG PRO 29 16.614 -4.345 14.353
213 HG3 PRO 29 1HG PRO 29 16.113 -2.827 13.587
214 HD2 PRO 29 2HD PRO 29 15.617 -5.638 12.729
215 HD3 PRO 29 1HD PRO 29 14.589 -4.203 12.551
216 H ASP 30 H ASP 30 18.346 -6.008 11.484
217 HA ASP 30 HA ASP 30 19.922 -5.958 9.028
218 HB2 ASP 30 2HB ASP 30 21.872 -6.969 10.278
219 HB3 ASP 30 1HB ASP 30 21.569 -5.266 10.610
220 H SER 31 H SER 31 17.482 -7.324 9.957
221 HA SER 31 HA SER 31 16.503 -9.374 9.851
222 HB2 SER 31 2HB SER 31 19.040 -10.113 8.372
223 HB3 SER 31 1HB SER 31 17.538 -11.035 8.364
224 HG SER 31 HG SER 31 17.659 -8.331 7.547
225 H TYR 32 H TYR 32 16.954 -9.323 12.241
226 HA TYR 32 HA TYR 32 18.974 -11.253 13.092
227 HB2 TYR 32 2HB TYR 32 17.643 -8.960 14.317
228 HB3 TYR 32 1HB TYR 32 17.687 -10.364 15.377
229 HD1 TYR 32 1HD TYR 32 20.269 -11.579 14.656
230 HD2 TYR 32 2HD TYR 32 19.223 -7.492 15.194
231 HE1 TYR 32 1HE TYR 32 22.601 -11.066 15.243
232 HE2 TYR 32 2HE TYR 32 21.552 -6.966 15.782
233 HH TYR 32 HH TYR 32 23.755 -9.145 16.692
Start of MODEL 7
1 H1 SER 1 1HT SER 1 -18.015 5.191 -13.321
2 H2 SER 1 2HT SER 1 -19.533 4.424 -13.552
3 H3 SER 1 3HT SER 1 -18.437 4.574 -14.864
4 HA SER 1 HA SER 1 -18.434 2.365 -14.032
5 HB2 SER 1 2HB SER 1 -16.093 4.182 -13.875
6 HB3 SER 1 1HB SER 1 -15.881 2.582 -13.167
7 HG SER 1 HG SER 1 -16.859 3.044 -15.789
8 H VAL 2 H VAL 2 -18.797 1.038 -12.366
9 HA VAL 2 HA VAL 2 -19.401 1.988 -9.802
10 HB VAL 2 HB VAL 2 -20.311 -0.112 -10.694
11 HG11 VAL 2 1HG1 VAL 2 -18.105 -0.809 -11.736
12 HG12 VAL 2 2HG1 VAL 2 -19.046 -2.080 -10.957
13 HG13 VAL 2 3HG1 VAL 2 -17.649 -1.388 -10.133
14 HG21 VAL 2 3HG2 VAL 2 -20.089 0.393 -8.206
15 HG22 VAL 2 1HG2 VAL 2 -18.749 -0.755 -8.208
16 HG23 VAL 2 2HG2 VAL 2 -20.369 -1.288 -8.660
17 H GLN 3 H GLN 3 -18.360 1.446 -7.766
18 HA GLN 3 HA GLN 3 -15.681 2.241 -7.659
19 HB2 GLN 3 2HB GLN 3 -15.762 1.601 -5.295
20 HB3 GLN 3 1HB GLN 3 -17.209 2.483 -5.766
21 HG2 GLN 3 2HG GLN 3 -17.981 -0.087 -6.190
22 HG3 GLN 3 1HG GLN 3 -16.901 -0.263 -4.808
23 HE21 GLN 3 1HE2 GLN 3 -19.998 -0.018 -5.533
24 HE22 GLN 3 2HE2 GLN 3 -20.598 0.846 -4.162
25 H ILE 4 H ILE 4 -14.164 1.090 -8.711
26 HA ILE 4 HA ILE 4 -13.886 -1.752 -7.982
27 HB ILE 4 HB ILE 4 -13.068 -0.568 -10.634
28 HG12 ILE 4 2HG1 ILE 4 -15.284 -2.500 -10.593
29 HG13 ILE 4 1HG1 ILE 4 -15.666 -0.956 -9.838
30 HG21 ILE 4 1HG2 ILE 4 -13.531 -3.442 -10.425
31 HG22 ILE 4 2HG2 ILE 4 -12.220 -2.860 -9.399
32 HG23 ILE 4 3HG2 ILE 4 -12.182 -2.558 -11.137
33 HD11 ILE 4 3HD1 ILE 4 -16.120 -0.205 -11.870
34 HD12 ILE 4 1HD1 ILE 4 -15.414 -1.634 -12.627
35 HD13 ILE 4 2HD1 ILE 4 -14.388 -0.266 -12.196
36 H LEU 5 H LEU 5 -12.699 0.265 -6.495
37 HA LEU 5 HA LEU 5 -9.985 0.661 -7.372
38 HB2 LEU 5 2HB LEU 5 -11.065 1.141 -4.607
39 HB3 LEU 5 1HB LEU 5 -9.670 1.889 -5.361
40 HG LEU 5 HG LEU 5 -11.597 2.700 -7.066
41 HD11 LEU 5 1HD1 LEU 5 -13.360 3.528 -5.233
42 HD12 LEU 5 2HD1 LEU 5 -12.931 1.966 -4.535
43 HD13 LEU 5 3HD1 LEU 5 -13.570 2.053 -6.176
44 HD21 LEU 5 3HD2 LEU 5 -10.187 4.330 -6.259
45 HD22 LEU 5 1HD2 LEU 5 -10.462 3.887 -4.574
46 HD23 LEU 5 2HD2 LEU 5 -11.702 4.765 -5.470
47 H ARG 6 H ARG 6 -11.353 -0.882 -4.477
48 HA ARG 6 HA ARG 6 -10.643 -2.618 -3.191
49 HB2 ARG 6 2HB ARG 6 -11.099 -3.895 -5.220
50 HB3 ARG 6 1HB ARG 6 -9.486 -3.543 -5.824
51 HG2 ARG 6 2HG ARG 6 -8.702 -4.703 -3.632
52 HG3 ARG 6 1HG ARG 6 -10.328 -5.392 -3.639
53 HD2 ARG 6 2HD ARG 6 -9.114 -6.982 -4.799
54 HD3 ARG 6 1HD ARG 6 -9.785 -5.999 -6.100
55 HE ARG 6 HE ARG 6 -7.181 -5.147 -5.234
56 HH11 ARG 6 1HH1 ARG 6 -8.926 -7.309 -7.346
57 HH12 ARG 6 2HH1 ARG 6 -7.616 -7.475 -8.464
58 HH21 ARG 6 1HH2 ARG 6 -5.456 -5.364 -6.705
59 HH22 ARG 6 2HH2 ARG 6 -5.645 -6.371 -8.101
60 H CYS 7 H CYS 7 -9.243 -1.504 -1.843
61 HA CYS 7 HA CYS 7 -6.412 -2.058 -2.311
62 HB2 CYS 7 2HB CYS 7 -7.648 0.621 -2.188
63 HB3 CYS 7 1HB CYS 7 -6.211 0.414 -1.191
64 HA PRO 8 HA PRO 8 -8.042 -2.961 2.019
65 HB2 PRO 8 2HB PRO 8 -6.634 -5.509 1.524
66 HB3 PRO 8 1HB PRO 8 -8.263 -5.228 2.144
67 HG2 PRO 8 2HG PRO 8 -7.857 -6.176 -0.327
68 HG3 PRO 8 1HG PRO 8 -9.184 -5.053 0.031
69 HD2 PRO 8 2HD PRO 8 -6.534 -4.511 -1.256
70 HD3 PRO 8 1HD PRO 8 -8.140 -3.878 -1.672
71 H ASP 9 H ASP 9 -6.331 -4.584 3.520
72 HA ASP 9 HA ASP 9 -4.398 -2.813 4.398
73 HB2 ASP 9 2HB ASP 9 -3.399 -4.742 5.590
74 HB3 ASP 9 1HB ASP 9 -5.150 -4.674 5.767
75 H GLY 10 H GLY 10 -2.386 -2.286 3.798
76 HA2 GLY 10 2HA GLY 10 -0.210 -3.012 2.945
77 HA3 GLY 10 1HA GLY 10 -1.078 -3.965 1.751
78 H MET 11 H MET 11 -3.025 -1.783 1.289
79 HA MET 11 HA MET 11 -1.288 0.153 -0.085
80 HB2 MET 11 2HB MET 11 -3.067 0.114 -1.934
81 HB3 MET 11 1HB MET 11 -1.940 -1.234 -1.860
82 HG2 MET 11 2HG MET 11 -4.594 -1.400 -0.497
83 HG3 MET 11 1HG MET 11 -4.454 -1.692 -2.228
84 HE1 MET 11 3HE MET 11 -4.184 -3.944 -3.139
85 HE2 MET 11 1HE MET 11 -2.959 -5.086 -2.584
86 HE3 MET 11 2HE MET 11 -2.482 -3.484 -3.149
87 H GLN 12 H GLN 12 -1.998 2.253 -0.118
88 HA GLN 12 HA GLN 12 -4.665 2.841 0.928
89 HB2 GLN 12 2HB GLN 12 -3.170 2.856 2.876
90 HB3 GLN 12 1HB GLN 12 -2.125 4.019 2.071
91 HG2 GLN 12 2HG GLN 12 -3.530 5.119 3.700
92 HG3 GLN 12 1HG GLN 12 -3.940 5.651 2.070
93 HE21 GLN 12 1HE2 GLN 12 -5.143 4.542 4.964
94 HE22 GLN 12 2HE2 GLN 12 -6.733 4.101 4.448
95 H MET 13 H MET 13 -5.358 5.034 0.553
96 HA MET 13 HA MET 13 -4.795 5.961 -2.025
97 HB2 MET 13 2HB MET 13 -6.117 7.322 0.322
98 HB3 MET 13 1HB MET 13 -6.051 8.021 -1.290
99 HG2 MET 13 2HG MET 13 -7.193 5.932 -2.114
100 HG3 MET 13 1HG MET 13 -7.454 5.513 -0.421
101 HE1 MET 13 3HE MET 13 -7.994 7.582 1.135
102 HE2 MET 13 1HE MET 13 -9.581 8.324 0.938
103 HE3 MET 13 2HE MET 13 -8.143 9.146 0.334
104 H LEU 14 H LEU 14 -4.029 8.179 -2.577
105 HA LEU 14 HA LEU 14 -1.882 9.109 -0.801
106 HB2 LEU 14 2HB LEU 14 -1.576 8.860 -3.790
107 HB3 LEU 14 1HB LEU 14 -0.343 9.322 -2.631
108 HG LEU 14 HG LEU 14 -1.617 6.589 -2.797
109 HD11 LEU 14 1HD1 LEU 14 0.166 7.637 -4.568
110 HD12 LEU 14 2HD1 LEU 14 0.002 5.922 -4.191
111 HD13 LEU 14 3HD1 LEU 14 1.235 6.888 -3.381
112 HD21 LEU 14 3HD2 LEU 14 -0.868 6.450 -0.692
113 HD22 LEU 14 1HD2 LEU 14 0.125 7.899 -0.848
114 HD23 LEU 14 2HD2 LEU 14 0.733 6.348 -1.424
115 H ARG 15 H ARG 15 -0.954 11.260 -1.797
116 HA ARG 15 HA ARG 15 -2.972 13.186 -1.649
117 HB2 ARG 15 2HB ARG 15 -0.149 13.325 -2.704
118 HB3 ARG 15 1HB ARG 15 -1.190 14.738 -2.594
119 HG2 ARG 15 2HG ARG 15 -0.982 14.885 -0.358
120 HG3 ARG 15 1HG ARG 15 -0.956 13.134 -0.136
121 HD2 ARG 15 2HD ARG 15 1.330 12.994 -0.649
122 HD3 ARG 15 1HD ARG 15 1.355 14.605 -1.366
123 HE ARG 15 HE ARG 15 0.691 15.096 1.204
124 HH11 ARG 15 1HH1 ARG 15 3.268 13.262 -0.270
125 HH12 ARG 15 2HH1 ARG 15 4.385 13.555 1.021
126 HH21 ARG 15 1HH2 ARG 15 2.158 15.483 2.904
127 HH22 ARG 15 2HH2 ARG 15 3.755 14.817 2.823
128 H SER 16 H SER 16 -1.632 11.477 -4.382
129 HA SER 16 HA SER 16 -2.640 13.193 -6.406
130 HB2 SER 16 2HB SER 16 -2.318 10.310 -7.023
131 HB3 SER 16 1HB SER 16 -1.700 11.723 -7.877
132 HG SER 16 HG SER 16 -0.567 10.250 -5.825
133 H GLY 17 H GLY 17 -3.929 10.378 -4.724
134 HA2 GLY 17 2HA GLY 17 -6.448 10.609 -4.490
135 HA3 GLY 17 1HA GLY 17 -6.441 10.686 -6.245
136 H GLN 18 H GLN 18 -4.293 8.687 -6.468
137 HA GLN 18 HA GLN 18 -5.986 6.343 -6.317
138 HB2 GLN 18 2HB GLN 18 -3.417 7.048 -7.640
139 HB3 GLN 18 1HB GLN 18 -3.700 5.350 -7.283
140 HG2 GLN 18 2HG GLN 18 -5.960 6.706 -8.550
141 HG3 GLN 18 1HG GLN 18 -4.501 6.634 -9.538
142 HE21 GLN 18 1HE2 GLN 18 -6.622 4.619 -7.548
143 HE22 GLN 18 2HE2 GLN 18 -6.448 3.188 -8.499
144 H CYS 19 H CYS 19 -5.125 4.280 -5.465
145 HA CYS 19 HA CYS 19 -3.648 4.757 -2.969
146 HB2 CYS 19 2HB CYS 19 -4.702 2.583 -2.233
147 HB3 CYS 19 1HB CYS 19 -5.823 3.917 -2.480
148 H VAL 20 H VAL 20 -1.629 4.075 -2.906
149 HA VAL 20 HA VAL 20 -0.763 2.004 -4.795
150 HB VAL 20 HB VAL 20 0.497 4.111 -4.834
151 HG11 VAL 20 1HG1 VAL 20 1.899 4.766 -2.950
152 HG12 VAL 20 2HG1 VAL 20 1.253 3.432 -1.995
153 HG13 VAL 20 3HG1 VAL 20 0.195 4.752 -2.493
154 HG21 VAL 20 3HG2 VAL 20 2.625 3.158 -4.966
155 HG22 VAL 20 1HG2 VAL 20 1.534 1.796 -5.225
156 HG23 VAL 20 2HG2 VAL 20 2.301 2.026 -3.654
157 H ALA 21 H ALA 21 0.735 0.353 -4.063
158 HA ALA 21 HA ALA 21 -0.053 -0.686 -1.463
159 HB1 ALA 21 1HB ALA 21 1.527 -2.615 -2.407
160 HB2 ALA 21 2HB ALA 21 1.123 -1.825 -3.931
161 HB3 ALA 21 3HB ALA 21 -0.160 -2.447 -2.892
162 H THR 22 H THR 22 1.069 0.178 0.183
163 HA THR 22 HA THR 22 3.665 1.191 0.089
164 HB THR 22 HB THR 22 2.759 -0.006 2.648
165 HG1 THR 22 1HG THR 22 0.814 0.717 2.383
166 HG21 THR 22 3HG2 THR 22 4.651 1.563 2.549
167 HG22 THR 22 1HG2 THR 22 3.327 2.140 3.561
168 HG23 THR 22 2HG2 THR 22 3.555 2.807 1.945
169 H THR 23 H THR 23 5.120 -0.176 -0.895
170 HA THR 23 HA THR 23 5.550 -2.817 0.295
171 HB THR 23 HB THR 23 5.373 -2.835 -2.105
172 HG1 THR 23 1HG THR 23 6.910 -4.258 -1.400
173 HG21 THR 23 3HG2 THR 23 7.082 -0.472 -1.955
174 HG22 THR 23 1HG2 THR 23 5.910 -0.958 -3.180
175 HG23 THR 23 2HG2 THR 23 7.539 -1.633 -3.202
176 H GLU 24 H GLU 24 6.303 -0.394 1.702
177 HA GLU 24 HA GLU 24 9.081 0.087 1.484
178 HB2 GLU 24 2HB GLU 24 6.997 1.229 2.869
179 HB3 GLU 24 1HB GLU 24 7.933 0.479 4.154
180 HG2 GLU 24 2HG GLU 24 9.605 1.914 2.270
181 HG3 GLU 24 1HG GLU 24 8.385 2.946 3.013
182 HA PRO 25 HA PRO 25 10.730 -3.486 3.508
183 HB2 PRO 25 2HB PRO 25 13.124 -2.517 4.312
184 HB3 PRO 25 1HB PRO 25 12.759 -2.865 2.618
185 HG2 PRO 25 2HG PRO 25 12.722 -0.242 4.064
186 HG3 PRO 25 1HG PRO 25 13.369 -0.624 2.457
187 HD2 PRO 25 2HD PRO 25 10.954 0.549 2.820
188 HD3 PRO 25 1HD PRO 25 11.294 -0.543 1.463
189 HA PRO 26 HA PRO 26 9.509 -2.365 7.742
190 HB2 PRO 26 2HB PRO 26 8.804 -4.850 8.515
191 HB3 PRO 26 1HB PRO 26 7.758 -3.850 7.501
192 HG2 PRO 26 2HG PRO 26 9.602 -6.071 6.710
193 HG3 PRO 26 1HG PRO 26 7.951 -5.739 6.155
194 HD2 PRO 26 2HD PRO 26 10.169 -5.061 4.726
195 HD3 PRO 26 1HD PRO 26 8.645 -4.154 4.644
196 H PHE 27 H PHE 27 9.962 -3.914 9.865
197 HA PHE 27 HA PHE 27 12.746 -3.712 10.281
198 HB2 PHE 27 2HB PHE 27 10.423 -4.718 11.842
199 HB3 PHE 27 1HB PHE 27 12.022 -5.254 12.346
200 HD1 PHE 27 2HD PHE 27 10.103 -2.172 11.537
201 HD2 PHE 27 1HD PHE 27 13.291 -3.921 13.746
202 HE1 PHE 27 2HE PHE 27 10.424 -0.051 12.742
203 HE2 PHE 27 1HE PHE 27 13.619 -1.804 14.956
204 HZ PHE 27 HZ PHE 27 12.185 0.135 14.454
205 H ASP 28 H ASP 28 13.718 -4.952 8.629
206 HA ASP 28 HA ASP 28 13.219 -7.639 8.083
207 HB2 ASP 28 2HB ASP 28 15.491 -5.778 7.627
208 HB3 ASP 28 1HB ASP 28 15.824 -7.499 7.471
209 HA PRO 29 HA PRO 29 14.873 -10.228 11.221
210 HB2 PRO 29 2HB PRO 29 16.934 -11.203 9.303
211 HB3 PRO 29 1HB PRO 29 15.785 -12.121 10.284
212 HG2 PRO 29 2HG PRO 29 15.388 -11.800 7.671
213 HG3 PRO 29 1HG PRO 29 14.031 -11.755 8.812
214 HD2 PRO 29 2HD PRO 29 15.389 -9.512 7.389
215 HD3 PRO 29 1HD PRO 29 13.681 -9.702 7.827
216 H ASP 30 H ASP 30 17.697 -9.364 9.238
217 HA ASP 30 HA ASP 30 19.740 -8.517 9.769
218 HB2 ASP 30 2HB ASP 30 18.431 -6.530 10.335
219 HB3 ASP 30 1HB ASP 30 18.148 -7.160 11.955
220 H SER 31 H SER 31 20.372 -10.712 10.345
221 HA SER 31 HA SER 31 20.263 -11.748 12.944
222 HB2 SER 31 2HB SER 31 22.646 -12.432 11.319
223 HB3 SER 31 1HB SER 31 21.479 -13.490 12.113
224 HG SER 31 HG SER 31 21.590 -12.807 9.556
225 H TYR 32 H TYR 32 21.233 -11.143 14.751
226 HA TYR 32 HA TYR 32 22.531 -9.924 16.185
227 HB2 TYR 32 2HB TYR 32 24.897 -10.444 16.059
228 HB3 TYR 32 1HB TYR 32 23.959 -11.878 15.653
229 HD1 TYR 32 2HD TYR 32 26.145 -9.238 14.320
230 HD2 TYR 32 1HD TYR 32 24.053 -12.838 13.449
231 HE1 TYR 32 2HE TYR 32 27.402 -9.453 12.218
232 HE2 TYR 32 1HE TYR 32 25.303 -13.064 11.345
233 HH TYR 32 HH TYR 32 27.368 -12.317 10.340
Start of MODEL 8
1 H1 SER 1 1HT SER 1 -20.605 -2.514 -8.457
2 H2 SER 1 2HT SER 1 -20.151 -4.117 -8.039
3 H3 SER 1 3HT SER 1 -20.788 -3.780 -9.597
4 HA SER 1 HA SER 1 -18.378 -4.109 -9.525
5 HB2 SER 1 2HB SER 1 -17.977 -2.306 -11.074
6 HB3 SER 1 1HB SER 1 -19.655 -2.814 -11.267
7 HG SER 1 HG SER 1 -18.709 -0.565 -9.817
8 H VAL 2 H VAL 2 -16.325 -3.138 -9.069
9 HA VAL 2 HA VAL 2 -16.281 -1.827 -6.482
10 HB VAL 2 HB VAL 2 -13.907 -2.647 -8.153
11 HG11 VAL 2 1HG1 VAL 2 -14.296 -1.963 -5.253
12 HG12 VAL 2 2HG1 VAL 2 -13.217 -1.203 -6.422
13 HG13 VAL 2 3HG1 VAL 2 -12.879 -2.834 -5.841
14 HG21 VAL 2 3HG2 VAL 2 -13.935 -4.673 -6.584
15 HG22 VAL 2 1HG2 VAL 2 -15.087 -4.654 -7.920
16 HG23 VAL 2 2HG2 VAL 2 -15.622 -4.256 -6.288
17 H GLN 3 H GLN 3 -14.889 0.035 -6.075
18 HA GLN 3 HA GLN 3 -14.974 1.919 -8.324
19 HB2 GLN 3 2HB GLN 3 -14.693 2.626 -5.407
20 HB3 GLN 3 1HB GLN 3 -15.133 3.689 -6.735
21 HG2 GLN 3 2HG GLN 3 -17.076 1.751 -6.833
22 HG3 GLN 3 1HG GLN 3 -16.792 1.947 -5.104
23 HE21 GLN 3 1HE2 GLN 3 -17.039 4.027 -7.974
24 HE22 GLN 3 2HE2 GLN 3 -18.088 5.193 -7.249
25 H ILE 4 H ILE 4 -13.268 3.861 -7.425
26 HA ILE 4 HA ILE 4 -10.751 2.855 -8.204
27 HB ILE 4 HB ILE 4 -9.921 5.125 -7.475
28 HG12 ILE 4 2HG1 ILE 4 -12.714 6.078 -7.281
29 HG13 ILE 4 1HG1 ILE 4 -12.110 5.188 -5.889
30 HG21 ILE 4 1HG2 ILE 4 -11.932 4.526 -9.537
31 HG22 ILE 4 2HG2 ILE 4 -10.315 5.213 -9.691
32 HG23 ILE 4 3HG2 ILE 4 -11.666 6.236 -9.200
33 HD11 ILE 4 3HD1 ILE 4 -11.768 7.877 -6.413
34 HD12 ILE 4 1HD1 ILE 4 -10.205 7.157 -6.798
35 HD13 ILE 4 2HD1 ILE 4 -10.915 6.922 -5.200
36 H LEU 5 H LEU 5 -12.317 2.861 -5.186
37 HA LEU 5 HA LEU 5 -9.917 2.963 -3.585
38 HB2 LEU 5 2HB LEU 5 -12.258 3.747 -2.895
39 HB3 LEU 5 1HB LEU 5 -12.631 2.050 -2.665
40 HG LEU 5 HG LEU 5 -10.494 2.094 -1.138
41 HD11 LEU 5 1HD1 LEU 5 -9.832 4.098 -0.260
42 HD12 LEU 5 2HD1 LEU 5 -11.374 4.884 -0.602
43 HD13 LEU 5 3HD1 LEU 5 -10.224 4.593 -1.907
44 HD21 LEU 5 3HD2 LEU 5 -13.305 2.858 -0.607
45 HD22 LEU 5 1HD2 LEU 5 -12.139 3.111 0.693
46 HD23 LEU 5 2HD2 LEU 5 -12.362 1.500 0.008
47 H ARG 6 H ARG 6 -9.264 1.096 -5.235
48 HA ARG 6 HA ARG 6 -10.054 -1.510 -4.174
49 HB2 ARG 6 2HB ARG 6 -8.976 -0.524 -6.728
50 HB3 ARG 6 1HB ARG 6 -8.291 -2.052 -6.191
51 HG2 ARG 6 2HG ARG 6 -11.248 -1.556 -6.372
52 HG3 ARG 6 1HG ARG 6 -10.292 -2.212 -7.702
53 HD2 ARG 6 2HD ARG 6 -9.491 -3.896 -5.837
54 HD3 ARG 6 1HD ARG 6 -11.025 -3.443 -5.092
55 HE ARG 6 HE ARG 6 -11.704 -4.052 -7.649
56 HH11 ARG 6 1HH1 ARG 6 -9.969 -5.748 -5.139
57 HH12 ARG 6 2HH1 ARG 6 -10.462 -7.316 -5.685
58 HH21 ARG 6 1HH2 ARG 6 -12.355 -6.113 -8.367
59 HH22 ARG 6 2HH2 ARG 6 -11.815 -7.523 -7.518
60 H CYS 7 H CYS 7 -8.393 0.281 -2.606
61 HA CYS 7 HA CYS 7 -5.903 -1.291 -2.514
62 HB2 CYS 7 2HB CYS 7 -6.402 1.584 -1.728
63 HB3 CYS 7 1HB CYS 7 -4.918 0.714 -1.357
64 HA PRO 8 HA PRO 8 -8.344 -2.351 1.289
65 HB2 PRO 8 2HB PRO 8 -7.151 -4.841 1.468
66 HB3 PRO 8 1HB PRO 8 -8.687 -4.505 0.670
67 HG2 PRO 8 2HG PRO 8 -5.972 -4.860 -0.505
68 HG3 PRO 8 1HG PRO 8 -7.548 -5.363 -1.143
69 HD2 PRO 8 2HD PRO 8 -6.219 -3.204 -2.083
70 HD3 PRO 8 1HD PRO 8 -7.990 -3.280 -2.028
71 H ASP 9 H ASP 9 -7.181 -3.874 3.162
72 HA ASP 9 HA ASP 9 -5.393 -2.132 4.435
73 HB2 ASP 9 2HB ASP 9 -6.905 -4.171 5.296
74 HB3 ASP 9 1HB ASP 9 -5.354 -5.001 5.213
75 H GLY 10 H GLY 10 -3.447 -1.662 3.616
76 HA2 GLY 10 2HA GLY 10 -1.162 -2.878 3.803
77 HA3 GLY 10 1HA GLY 10 -1.823 -3.835 2.487
78 H MET 11 H MET 11 -3.224 -1.391 1.435
79 HA MET 11 HA MET 11 -0.899 0.107 0.444
80 HB2 MET 11 2HB MET 11 -2.053 0.092 -1.834
81 HB3 MET 11 1HB MET 11 -1.259 -1.394 -1.332
82 HG2 MET 11 2HG MET 11 -3.920 -1.531 -0.412
83 HG3 MET 11 1HG MET 11 -3.975 -0.965 -2.080
84 HE1 MET 11 3HE MET 11 -3.382 -2.467 -4.182
85 HE2 MET 11 1HE MET 11 -2.237 -3.802 -4.051
86 HE3 MET 11 2HE MET 11 -1.745 -2.171 -3.596
87 H GLN 12 H GLN 12 -1.210 2.257 0.183
88 HA GLN 12 HA GLN 12 -3.941 3.284 0.602
89 HB2 GLN 12 2HB GLN 12 -1.390 4.582 1.574
90 HB3 GLN 12 1HB GLN 12 -3.032 5.125 1.885
91 HG2 GLN 12 2HG GLN 12 -2.033 2.444 2.788
92 HG3 GLN 12 1HG GLN 12 -1.843 3.904 3.757
93 HE21 GLN 12 1HE2 GLN 12 -3.677 1.264 3.415
94 HE22 GLN 12 2HE2 GLN 12 -5.186 1.847 4.020
95 H MET 13 H MET 13 -4.647 4.832 -0.764
96 HA MET 13 HA MET 13 -3.032 5.407 -3.087
97 HB2 MET 13 2HB MET 13 -5.046 6.504 -3.952
98 HB3 MET 13 1HB MET 13 -5.406 4.891 -3.353
99 HG2 MET 13 2HG MET 13 -5.904 6.350 -1.143
100 HG3 MET 13 1HG MET 13 -6.316 7.518 -2.398
101 HE1 MET 13 3HE MET 13 -9.269 6.933 -3.771
102 HE2 MET 13 1HE MET 13 -8.251 7.963 -2.764
103 HE3 MET 13 2HE MET 13 -9.633 7.126 -2.056
104 H LEU 14 H LEU 14 -2.394 7.452 -3.802
105 HA LEU 14 HA LEU 14 -2.175 9.453 -1.659
106 HB2 LEU 14 2HB LEU 14 -0.562 9.415 -4.195
107 HB3 LEU 14 1HB LEU 14 -0.206 10.248 -2.695
108 HG LEU 14 HG LEU 14 -0.131 7.257 -3.095
109 HD11 LEU 14 1HD1 LEU 14 1.967 9.387 -3.101
110 HD12 LEU 14 2HD1 LEU 14 1.748 8.029 -4.203
111 HD13 LEU 14 3HD1 LEU 14 2.355 7.751 -2.572
112 HD21 LEU 14 3HD2 LEU 14 -0.718 7.648 -0.843
113 HD22 LEU 14 1HD2 LEU 14 0.396 9.008 -0.709
114 HD23 LEU 14 2HD2 LEU 14 1.023 7.365 -0.843
115 H ARG 15 H ARG 15 -1.946 11.769 -2.592
116 HA ARG 15 HA ARG 15 -4.410 12.504 -3.702
117 HB2 ARG 15 2HB ARG 15 -1.853 14.116 -3.677
118 HB3 ARG 15 1HB ARG 15 -3.480 14.753 -3.869
119 HG2 ARG 15 2HG ARG 15 -2.834 13.170 -1.432
120 HG3 ARG 15 1HG ARG 15 -2.262 14.834 -1.555
121 HD2 ARG 15 2HD ARG 15 -4.409 14.752 -0.420
122 HD3 ARG 15 1HD ARG 15 -4.558 15.586 -1.965
123 HE ARG 15 HE ARG 15 -6.026 13.975 -2.627
124 HH11 ARG 15 1HH1 ARG 15 -4.135 12.710 0.018
125 HH12 ARG 15 2HH1 ARG 15 -5.039 11.236 0.124
126 HH21 ARG 15 1HH2 ARG 15 -7.216 12.038 -2.491
127 HH22 ARG 15 2HH2 ARG 15 -6.788 10.855 -1.301
128 H SER 16 H SER 16 -1.314 11.809 -5.180
129 HA SER 16 HA SER 16 -1.782 12.923 -7.715
130 HB2 SER 16 2HB SER 16 -0.208 10.408 -7.567
131 HB3 SER 16 1HB SER 16 0.195 11.948 -8.324
132 HG SER 16 HG SER 16 1.224 12.479 -6.581
133 H GLY 17 H GLY 17 -2.668 9.820 -6.313
134 HA2 GLY 17 2HA GLY 17 -4.855 9.001 -7.268
135 HA3 GLY 17 1HA GLY 17 -4.065 9.153 -8.830
136 H GLN 18 H GLN 18 -1.494 8.180 -7.806
137 HA GLN 18 HA GLN 18 -1.898 5.412 -8.283
138 HB2 GLN 18 2HB GLN 18 0.495 7.012 -7.388
139 HB3 GLN 18 1HB GLN 18 0.561 5.268 -7.609
140 HG2 GLN 18 2HG GLN 18 1.368 6.130 -9.609
141 HG3 GLN 18 1HG GLN 18 -0.307 5.716 -9.968
142 HE21 GLN 18 1HE2 GLN 18 0.505 7.308 -11.737
143 HE22 GLN 18 2HE2 GLN 18 0.082 8.962 -11.472
144 H CYS 19 H CYS 19 -0.949 3.717 -6.785
145 HA CYS 19 HA CYS 19 -1.612 4.322 -3.980
146 HB2 CYS 19 2HB CYS 19 -3.208 2.801 -5.549
147 HB3 CYS 19 1HB CYS 19 -2.121 1.565 -4.924
148 H VAL 20 H VAL 20 0.021 3.934 -2.647
149 HA VAL 20 HA VAL 20 2.214 2.215 -3.559
150 HB VAL 20 HB VAL 20 2.821 4.493 -2.875
151 HG11 VAL 20 1HG1 VAL 20 1.775 3.679 -0.166
152 HG12 VAL 20 2HG1 VAL 20 1.075 4.893 -1.236
153 HG13 VAL 20 3HG1 VAL 20 2.664 5.161 -0.519
154 HG21 VAL 20 3HG2 VAL 20 4.266 2.387 -2.460
155 HG22 VAL 20 1HG2 VAL 20 3.907 2.677 -0.757
156 HG23 VAL 20 2HG2 VAL 20 4.738 3.910 -1.706
157 H ALA 21 H ALA 21 2.695 0.333 -2.596
158 HA ALA 21 HA ALA 21 0.907 -0.661 -0.546
159 HB1 ALA 21 1HB ALA 21 2.892 -1.845 -2.400
160 HB2 ALA 21 2HB ALA 21 1.256 -2.370 -2.000
161 HB3 ALA 21 3HB ALA 21 2.584 -2.703 -0.890
162 H THR 22 H THR 22 1.301 -0.540 1.557
163 HA THR 22 HA THR 22 3.951 0.217 2.487
164 HB THR 22 HB THR 22 1.709 -0.235 4.388
165 HG1 THR 22 1HG THR 22 1.758 1.793 2.422
166 HG21 THR 22 3HG2 THR 22 3.797 1.900 4.070
167 HG22 THR 22 1HG2 THR 22 3.696 0.664 5.324
168 HG23 THR 22 2HG2 THR 22 2.498 1.957 5.262
169 H THR 23 H THR 23 3.818 -2.401 1.462
170 HA THR 23 HA THR 23 4.817 -3.859 3.725
171 HB THR 23 HB THR 23 2.453 -4.335 4.003
172 HG1 THR 23 1HG THR 23 3.793 -6.540 2.830
173 HG21 THR 23 3HG2 THR 23 1.005 -5.091 2.411
174 HG22 THR 23 1HG2 THR 23 2.291 -5.738 1.390
175 HG23 THR 23 2HG2 THR 23 2.004 -3.999 1.452
176 H GLU 24 H GLU 24 5.772 -2.898 1.152
177 HA GLU 24 HA GLU 24 6.020 -5.132 -0.616
178 HB2 GLU 24 2HB GLU 24 6.837 -2.334 -0.573
179 HB3 GLU 24 1HB GLU 24 8.073 -3.381 -1.258
180 HG2 GLU 24 2HG GLU 24 5.372 -3.916 -2.241
181 HG3 GLU 24 1HG GLU 24 5.980 -2.307 -2.624
182 HA PRO 25 HA PRO 25 10.501 -5.447 1.070
183 HB2 PRO 25 2HB PRO 25 11.268 -3.857 3.114
184 HB3 PRO 25 1HB PRO 25 11.364 -3.340 1.427
185 HG2 PRO 25 2HG PRO 25 9.287 -2.706 3.486
186 HG3 PRO 25 1HG PRO 25 10.053 -1.631 2.302
187 HD2 PRO 25 2HD PRO 25 7.581 -2.709 1.948
188 HD3 PRO 25 1HD PRO 25 8.668 -2.315 0.600
189 HA PRO 26 HA PRO 26 9.396 -8.124 4.420
190 HB2 PRO 26 2HB PRO 26 11.834 -9.057 5.137
191 HB3 PRO 26 1HB PRO 26 11.034 -9.541 3.637
192 HG2 PRO 26 2HG PRO 26 13.178 -7.497 4.065
193 HG3 PRO 26 1HG PRO 26 13.033 -8.714 2.783
194 HD2 PRO 26 2HD PRO 26 12.356 -6.112 2.422
195 HD3 PRO 26 1HD PRO 26 11.545 -7.443 1.572
196 H PHE 27 H PHE 27 10.211 -8.662 6.745
197 HA PHE 27 HA PHE 27 11.513 -6.553 8.177
198 HB2 PHE 27 2HB PHE 27 8.883 -6.032 7.689
199 HB3 PHE 27 1HB PHE 27 8.776 -6.882 9.227
200 HD1 PHE 27 2HD PHE 27 10.922 -6.050 10.818
201 HD2 PHE 27 1HD PHE 27 8.764 -3.765 7.948
202 HE1 PHE 27 2HE PHE 27 11.539 -3.984 12.003
203 HE2 PHE 27 1HE PHE 27 9.378 -1.696 9.127
204 HZ PHE 27 HZ PHE 27 10.768 -1.804 11.158
205 H ASP 28 H ASP 28 11.802 -9.390 7.859
206 HA ASP 28 HA ASP 28 10.883 -10.607 10.315
207 HB2 ASP 28 2HB ASP 28 11.587 -11.585 7.817
208 HB3 ASP 28 1HB ASP 28 12.923 -12.089 8.848
209 HA PRO 29 HA PRO 29 15.773 -10.584 11.006
210 HB2 PRO 29 2HB PRO 29 16.317 -8.086 9.481
211 HB3 PRO 29 1HB PRO 29 17.310 -9.537 9.656
212 HG2 PRO 29 2HG PRO 29 15.996 -9.057 7.391
213 HG3 PRO 29 1HG PRO 29 16.129 -10.703 8.036
214 HD2 PRO 29 2HD PRO 29 13.805 -8.827 8.087
215 HD3 PRO 29 1HD PRO 29 13.830 -10.590 7.882
216 H ASP 30 H ASP 30 17.206 -8.553 11.921
217 HA ASP 30 HA ASP 30 15.602 -6.446 13.036
218 HB2 ASP 30 2HB ASP 30 15.943 -7.067 15.391
219 HB3 ASP 30 1HB ASP 30 14.985 -8.276 14.540
220 H SER 31 H SER 31 18.624 -8.272 13.278
221 HA SER 31 HA SER 31 20.183 -5.911 12.839
222 HB2 SER 31 2HB SER 31 19.836 -6.983 15.586
223 HB3 SER 31 1HB SER 31 21.475 -6.540 15.112
224 HG SER 31 HG SER 31 19.263 -4.811 14.752
225 H TYR 32 H TYR 32 21.655 -6.634 11.464
226 HA TYR 32 HA TYR 32 22.336 -9.325 11.097
227 HB2 TYR 32 2HB TYR 32 24.106 -8.505 9.626
228 HB3 TYR 32 1HB TYR 32 22.620 -7.601 9.359
229 HD1 TYR 32 1HD TYR 32 22.451 -5.260 10.008
230 HD2 TYR 32 2HD TYR 32 26.050 -7.444 10.616
231 HE1 TYR 32 1HE TYR 32 23.660 -3.152 10.374
232 HE2 TYR 32 2HE TYR 32 27.271 -5.341 10.985
233 HH TYR 32 HH TYR 32 26.138 -2.679 11.827
Start of MODEL 9
1 H1 SER 1 1HT SER 1 -23.200 -4.651 -5.048
2 H2 SER 1 2HT SER 1 -22.538 -4.775 -6.627
3 H3 SER 1 3HT SER 1 -23.055 -3.252 -6.029
4 HA SER 1 HA SER 1 -21.338 -3.115 -4.528
5 HB2 SER 1 2HB SER 1 -19.735 -5.188 -4.445
6 HB3 SER 1 1HB SER 1 -21.236 -5.214 -3.519
7 HG SER 1 HG SER 1 -21.023 -6.259 -6.142
8 H VAL 2 H VAL 2 -20.871 -1.647 -6.254
9 HA VAL 2 HA VAL 2 -19.261 -2.587 -8.476
10 HB VAL 2 HB VAL 2 -19.968 0.261 -7.758
11 HG11 VAL 2 1HG1 VAL 2 -18.712 -1.056 -10.126
12 HG12 VAL 2 2HG1 VAL 2 -18.256 0.432 -9.293
13 HG13 VAL 2 3HG1 VAL 2 -19.672 0.408 -10.345
14 HG21 VAL 2 3HG2 VAL 2 -21.398 -1.059 -9.960
15 HG22 VAL 2 1HG2 VAL 2 -21.988 0.058 -8.730
16 HG23 VAL 2 2HG2 VAL 2 -21.795 -1.652 -8.348
17 H GLN 3 H GLN 3 -17.114 -2.060 -8.853
18 HA GLN 3 HA GLN 3 -15.563 -1.499 -6.459
19 HB2 GLN 3 2HB GLN 3 -13.620 -2.123 -7.858
20 HB3 GLN 3 1HB GLN 3 -14.854 -3.373 -7.818
21 HG2 GLN 3 2HG GLN 3 -15.518 -1.813 -10.015
22 HG3 GLN 3 1HG GLN 3 -13.760 -1.924 -10.061
23 HE21 GLN 3 1HE2 GLN 3 -16.651 -3.925 -9.641
24 HE22 GLN 3 2HE2 GLN 3 -16.030 -5.307 -10.471
25 H ILE 4 H ILE 4 -15.534 0.636 -6.015
26 HA ILE 4 HA ILE 4 -14.778 2.481 -8.181
27 HB ILE 4 HB ILE 4 -16.936 2.999 -7.128
28 HG12 ILE 4 2HG1 ILE 4 -16.473 5.363 -6.598
29 HG13 ILE 4 1HG1 ILE 4 -14.757 4.992 -6.463
30 HG21 ILE 4 1HG2 ILE 4 -17.299 3.030 -4.924
31 HG22 ILE 4 2HG2 ILE 4 -15.827 3.946 -4.601
32 HG23 ILE 4 3HG2 ILE 4 -15.752 2.194 -4.791
33 HD11 ILE 4 3HD1 ILE 4 -16.315 4.510 -8.980
34 HD12 ILE 4 1HD1 ILE 4 -14.564 4.576 -8.766
35 HD13 ILE 4 2HD1 ILE 4 -15.526 6.048 -8.620
36 H LEU 5 H LEU 5 -13.864 1.201 -5.096
37 HA LEU 5 HA LEU 5 -11.536 2.996 -5.057
38 HB2 LEU 5 2HB LEU 5 -11.465 2.530 -2.587
39 HB3 LEU 5 1HB LEU 5 -12.815 3.507 -3.135
40 HG LEU 5 HG LEU 5 -13.440 0.652 -3.046
41 HD11 LEU 5 1HD1 LEU 5 -13.466 0.385 -0.677
42 HD12 LEU 5 2HD1 LEU 5 -12.919 2.044 -0.428
43 HD13 LEU 5 3HD1 LEU 5 -11.831 0.855 -1.146
44 HD21 LEU 5 3HD2 LEU 5 -14.824 2.998 -3.079
45 HD22 LEU 5 1HD2 LEU 5 -14.916 2.552 -1.375
46 HD23 LEU 5 2HD2 LEU 5 -15.495 1.435 -2.611
47 H ARG 6 H ARG 6 -10.660 1.333 -6.544
48 HA ARG 6 HA ARG 6 -10.146 -1.308 -5.654
49 HB2 ARG 6 2HB ARG 6 -10.073 -0.236 -8.056
50 HB3 ARG 6 1HB ARG 6 -8.385 0.049 -7.656
51 HG2 ARG 6 2HG ARG 6 -8.223 -2.413 -7.126
52 HG3 ARG 6 1HG ARG 6 -9.818 -2.583 -7.860
53 HD2 ARG 6 2HD ARG 6 -7.375 -1.450 -9.219
54 HD3 ARG 6 1HD ARG 6 -8.007 -3.080 -9.445
55 HE ARG 6 HE ARG 6 -10.124 -1.525 -10.060
56 HH11 ARG 6 1HH1 ARG 6 -6.800 -1.529 -11.125
57 HH12 ARG 6 2HH1 ARG 6 -7.172 -0.902 -12.695
58 HH21 ARG 6 1HH2 ARG 6 -10.614 -0.700 -12.127
59 HH22 ARG 6 2HH2 ARG 6 -9.337 -0.431 -13.264
60 H CYS 7 H CYS 7 -9.418 -0.517 -3.452
61 HA CYS 7 HA CYS 7 -6.546 -0.716 -3.338
62 HB2 CYS 7 2HB CYS 7 -7.720 1.852 -3.282
63 HB3 CYS 7 1HB CYS 7 -7.227 1.498 -1.630
64 HA PRO 8 HA PRO 8 -8.847 -2.956 0.004
65 HB2 PRO 8 2HB PRO 8 -6.860 -4.883 0.175
66 HB3 PRO 8 1HB PRO 8 -8.327 -5.014 -0.791
67 HG2 PRO 8 2HG PRO 8 -5.565 -4.269 -1.621
68 HG3 PRO 8 1HG PRO 8 -6.786 -5.207 -2.497
69 HD2 PRO 8 2HD PRO 8 -6.234 -2.637 -3.102
70 HD3 PRO 8 1HD PRO 8 -7.866 -3.316 -3.267
71 H ASP 9 H ASP 9 -7.439 -4.193 1.924
72 HA ASP 9 HA ASP 9 -6.498 -2.063 3.517
73 HB2 ASP 9 2HB ASP 9 -5.728 -3.941 5.056
74 HB3 ASP 9 1HB ASP 9 -7.443 -3.917 4.652
75 H GLY 10 H GLY 10 -4.557 -1.147 3.673
76 HA2 GLY 10 2HA GLY 10 -2.181 -1.233 3.856
77 HA3 GLY 10 1HA GLY 10 -2.188 -2.678 2.855
78 H MET 11 H MET 11 -4.164 -1.236 1.027
79 HA MET 11 HA MET 11 -2.111 0.229 -0.474
80 HB2 MET 11 2HB MET 11 -4.709 -0.990 -1.426
81 HB3 MET 11 1HB MET 11 -3.536 -0.168 -2.446
82 HG2 MET 11 2HG MET 11 -1.883 -1.872 -1.967
83 HG3 MET 11 1HG MET 11 -3.006 -2.677 -0.872
84 HE1 MET 11 3HE MET 11 -2.611 -2.376 -5.218
85 HE2 MET 11 1HE MET 11 -2.848 -1.002 -4.138
86 HE3 MET 11 2HE MET 11 -4.221 -1.689 -5.007
87 H GLN 12 H GLN 12 -2.198 2.360 -0.251
88 HA GLN 12 HA GLN 12 -4.826 3.638 0.090
89 HB2 GLN 12 2HB GLN 12 -2.066 4.445 0.987
90 HB3 GLN 12 1HB GLN 12 -3.399 5.593 0.939
91 HG2 GLN 12 2HG GLN 12 -4.006 3.088 2.327
92 HG3 GLN 12 1HG GLN 12 -2.734 4.055 3.075
93 HE21 GLN 12 1HE2 GLN 12 -3.453 6.565 2.786
94 HE22 GLN 12 2HE2 GLN 12 -4.992 6.887 3.504
95 H MET 13 H MET 13 -5.454 5.287 -1.238
96 HA MET 13 HA MET 13 -4.330 5.399 -3.830
97 HB2 MET 13 2HB MET 13 -5.975 7.144 -4.271
98 HB3 MET 13 1HB MET 13 -6.713 5.815 -3.387
99 HG2 MET 13 2HG MET 13 -5.650 7.985 -1.720
100 HG3 MET 13 1HG MET 13 -7.003 8.424 -2.759
101 HE1 MET 13 3HE MET 13 -6.974 8.870 -0.041
102 HE2 MET 13 1HE MET 13 -7.268 7.585 1.133
103 HE3 MET 13 2HE MET 13 -8.627 8.425 0.385
104 H LEU 14 H LEU 14 -3.344 7.173 -4.906
105 HA LEU 14 HA LEU 14 -1.719 8.828 -3.103
106 HB2 LEU 14 2HB LEU 14 -1.285 8.146 -6.012
107 HB3 LEU 14 1HB LEU 14 -0.203 9.100 -5.016
108 HG LEU 14 HG LEU 14 -0.875 6.312 -4.175
109 HD11 LEU 14 1HD1 LEU 14 -0.175 5.604 -6.201
110 HD12 LEU 14 2HD1 LEU 14 1.416 5.899 -5.501
111 HD13 LEU 14 3HD1 LEU 14 0.679 7.104 -6.554
112 HD21 LEU 14 3HD2 LEU 14 1.384 8.244 -3.785
113 HD22 LEU 14 1HD2 LEU 14 1.584 6.520 -3.469
114 HD23 LEU 14 2HD2 LEU 14 0.381 7.447 -2.572
115 H ARG 15 H ARG 15 -1.119 11.016 -4.002
116 HA ARG 15 HA ARG 15 -3.406 12.582 -4.338
117 HB2 ARG 15 2HB ARG 15 -0.489 13.021 -4.444
118 HB3 ARG 15 1HB ARG 15 -1.455 14.200 -5.322
119 HG2 ARG 15 2HG ARG 15 -0.997 14.931 -3.046
120 HG3 ARG 15 1HG ARG 15 -2.725 14.688 -3.308
121 HD2 ARG 15 2HD ARG 15 -2.476 13.632 -1.296
122 HD3 ARG 15 1HD ARG 15 -2.179 12.280 -2.389
123 HE ARG 15 HE ARG 15 0.287 13.372 -1.951
124 HH11 ARG 15 1HH1 ARG 15 -2.241 12.091 0.085
125 HH12 ARG 15 2HH1 ARG 15 -1.149 11.552 1.316
126 HH21 ARG 15 1HH2 ARG 15 1.725 12.662 -0.333
127 HH22 ARG 15 2HH2 ARG 15 1.103 11.876 1.078
128 H SER 16 H SER 16 -1.307 11.055 -6.675
129 HA SER 16 HA SER 16 -2.330 12.498 -8.933
130 HB2 SER 16 2HB SER 16 -1.087 9.869 -9.429
131 HB3 SER 16 1HB SER 16 -0.699 11.448 -10.110
132 HG SER 16 HG SER 16 0.235 10.234 -7.767
133 H GLY 17 H GLY 17 -3.103 9.515 -7.276
134 HA2 GLY 17 2HA GLY 17 -5.573 9.000 -7.574
135 HA3 GLY 17 1HA GLY 17 -5.194 8.975 -9.289
136 H GLN 18 H GLN 18 -2.540 7.710 -8.678
137 HA GLN 18 HA GLN 18 -3.282 5.038 -9.077
138 HB2 GLN 18 2HB GLN 18 -0.721 6.436 -8.431
139 HB3 GLN 18 1HB GLN 18 -0.777 4.683 -8.321
140 HG2 GLN 18 2HG GLN 18 -1.488 6.291 -10.763
141 HG3 GLN 18 1HG GLN 18 0.051 5.475 -10.490
142 HE21 GLN 18 1HE2 GLN 18 0.205 3.306 -10.801
143 HE22 GLN 18 2HE2 GLN 18 -1.076 2.332 -11.431
144 H CYS 19 H CYS 19 -2.402 3.218 -7.641
145 HA CYS 19 HA CYS 19 -3.183 3.777 -4.856
146 HB2 CYS 19 2HB CYS 19 -3.915 1.641 -6.729
147 HB3 CYS 19 1HB CYS 19 -3.418 1.051 -5.147
148 H VAL 20 H VAL 20 -1.444 3.883 -3.597
149 HA VAL 20 HA VAL 20 0.871 2.189 -4.198
150 HB VAL 20 HB VAL 20 1.306 4.592 -3.924
151 HG11 VAL 20 1HG1 VAL 20 -0.359 5.312 -2.419
152 HG12 VAL 20 2HG1 VAL 20 1.169 5.508 -1.561
153 HG13 VAL 20 3HG1 VAL 20 0.121 4.135 -1.198
154 HG21 VAL 20 3HG2 VAL 20 3.039 2.950 -3.347
155 HG22 VAL 20 1HG2 VAL 20 2.465 2.942 -1.680
156 HG23 VAL 20 2HG2 VAL 20 3.161 4.409 -2.365
157 H ALA 21 H ALA 21 1.768 0.796 -2.691
158 HA ALA 21 HA ALA 21 -0.044 -0.002 -0.533
159 HB1 ALA 21 1HB ALA 21 1.994 -1.423 -2.167
160 HB2 ALA 21 2HB ALA 21 0.358 -1.911 -1.725
161 HB3 ALA 21 3HB ALA 21 1.660 -2.014 -0.539
162 H THR 22 H THR 22 0.484 0.179 1.561
163 HA THR 22 HA THR 22 2.973 1.517 2.230
164 HB THR 22 HB THR 22 1.803 1.281 4.611
165 HG1 THR 22 1HG THR 22 0.113 -0.041 3.694
166 HG21 THR 22 3HG2 THR 22 1.129 3.429 4.434
167 HG22 THR 22 1HG2 THR 22 0.363 3.180 2.866
168 HG23 THR 22 2HG2 THR 22 2.115 3.346 2.975
169 H THR 23 H THR 23 4.357 -0.298 1.737
170 HA THR 23 HA THR 23 4.283 -2.422 3.776
171 HB THR 23 HB THR 23 5.962 -2.654 1.317
172 HG1 THR 23 1HG THR 23 4.214 -3.361 0.134
173 HG21 THR 23 3HG2 THR 23 4.239 -4.836 2.316
174 HG22 THR 23 1HG2 THR 23 5.617 -4.368 3.313
175 HG23 THR 23 2HG2 THR 23 5.870 -4.886 1.646
176 H GLU 24 H GLU 24 5.273 -0.601 5.100
177 HA GLU 24 HA GLU 24 7.816 0.414 4.657
178 HB2 GLU 24 2HB GLU 24 6.056 0.922 6.520
179 HB3 GLU 24 1HB GLU 24 6.922 -0.316 7.424
180 HG2 GLU 24 2HG GLU 24 9.023 1.018 6.963
181 HG3 GLU 24 1HG GLU 24 7.959 2.311 6.408
182 HA PRO 25 HA PRO 25 10.523 -3.117 4.692
183 HB2 PRO 25 2HB PRO 25 12.318 -1.134 6.026
184 HB3 PRO 25 1HB PRO 25 12.655 -2.225 4.677
185 HG2 PRO 25 2HG PRO 25 12.203 0.370 4.259
186 HG3 PRO 25 1HG PRO 25 11.600 -0.860 3.135
187 HD2 PRO 25 2HD PRO 25 10.119 0.771 5.127
188 HD3 PRO 25 1HD PRO 25 9.569 0.099 3.581
189 HA PRO 26 HA PRO 26 10.104 -4.585 8.868
190 HB2 PRO 26 2HB PRO 26 11.673 -6.775 8.731
191 HB3 PRO 26 1HB PRO 26 10.103 -6.690 7.926
192 HG2 PRO 26 2HG PRO 26 12.843 -6.306 6.781
193 HG3 PRO 26 1HG PRO 26 11.467 -7.203 6.112
194 HD2 PRO 26 2HD PRO 26 12.138 -4.690 5.311
195 HD3 PRO 26 1HD PRO 26 10.472 -5.302 5.287
196 H PHE 27 H PHE 27 11.885 -5.796 10.453
197 HA PHE 27 HA PHE 27 13.497 -3.704 11.406
198 HB2 PHE 27 2HB PHE 27 13.093 -6.561 12.077
199 HB3 PHE 27 1HB PHE 27 14.610 -5.847 12.612
200 HD1 PHE 27 2HD PHE 27 14.371 -3.530 13.830
201 HD2 PHE 27 1HD PHE 27 11.252 -6.400 13.442
202 HE1 PHE 27 2HE PHE 27 13.223 -2.540 15.768
203 HE2 PHE 27 1HE PHE 27 10.098 -5.415 15.379
204 HZ PHE 27 HZ PHE 27 11.084 -3.482 16.544
205 H ASP 28 H ASP 28 15.946 -4.402 11.987
206 HA ASP 28 HA ASP 28 17.223 -4.851 9.376
207 HB2 ASP 28 2HB ASP 28 17.813 -3.063 11.661
208 HB3 ASP 28 1HB ASP 28 19.210 -3.796 10.876
209 HA PRO 29 HA PRO 29 19.039 -8.582 10.886
210 HB2 PRO 29 2HB PRO 29 21.260 -8.721 9.342
211 HB3 PRO 29 1HB PRO 29 19.636 -9.004 8.703
212 HG2 PRO 29 2HG PRO 29 21.324 -6.536 8.558
213 HG3 PRO 29 1HG PRO 29 20.338 -7.293 7.293
214 HD2 PRO 29 2HD PRO 29 19.503 -5.137 8.713
215 HD3 PRO 29 1HD PRO 29 18.385 -6.365 8.087
216 H ASP 30 H ASP 30 21.464 -9.389 11.371
217 HA ASP 30 HA ASP 30 23.247 -7.474 12.477
218 HB2 ASP 30 2HB ASP 30 21.132 -7.828 14.113
219 HB3 ASP 30 1HB ASP 30 22.161 -9.145 14.670
220 H SER 31 H SER 31 22.089 -10.809 12.625
221 HA SER 31 HA SER 31 24.856 -11.736 12.887
222 HB2 SER 31 2HB SER 31 22.892 -12.525 14.420
223 HB3 SER 31 1HB SER 31 22.475 -13.554 13.051
224 HG SER 31 HG SER 31 25.076 -13.481 14.160
225 H TYR 32 H TYR 32 21.998 -11.971 10.859
226 HA TYR 32 HA TYR 32 23.467 -13.620 8.938
227 HB2 TYR 32 2HB TYR 32 21.275 -13.939 7.844
228 HB3 TYR 32 1HB TYR 32 21.253 -14.437 9.532
229 HD1 TYR 32 1HD TYR 32 20.060 -13.083 11.208
230 HD2 TYR 32 2HD TYR 32 19.945 -12.098 7.071
231 HE1 TYR 32 1HE TYR 32 18.124 -11.622 11.616
232 HE2 TYR 32 2HE TYR 32 18.010 -10.634 7.467
233 HH TYR 32 HH TYR 32 16.057 -10.736 9.727
Start of MODEL 10
1 H1 SER 1 1HT SER 1 -15.884 1.501 -15.336
2 H2 SER 1 2HT SER 1 -15.838 2.962 -16.233
3 H3 SER 1 3HT SER 1 -16.019 3.006 -14.526
4 HA SER 1 HA SER 1 -13.675 1.944 -15.953
5 HB2 SER 1 2HB SER 1 -14.111 4.419 -16.227
6 HB3 SER 1 1HB SER 1 -13.967 4.570 -14.476
7 HG SER 1 HG SER 1 -11.988 3.748 -16.327
8 H VAL 2 H VAL 2 -13.189 0.258 -14.634
9 HA VAL 2 HA VAL 2 -12.482 -0.880 -12.799
10 HB VAL 2 HB VAL 2 -11.883 1.885 -11.750
11 HG11 VAL 2 1HG1 VAL 2 -11.080 -0.850 -10.802
12 HG12 VAL 2 2HG1 VAL 2 -11.823 0.459 -9.882
13 HG13 VAL 2 3HG1 VAL 2 -10.143 0.590 -10.406
14 HG21 VAL 2 3HG2 VAL 2 -9.680 1.612 -12.619
15 HG22 VAL 2 1HG2 VAL 2 -10.814 1.268 -13.926
16 HG23 VAL 2 2HG2 VAL 2 -10.010 -0.057 -13.085
17 H GLN 3 H GLN 3 -13.004 -1.415 -10.568
18 HA GLN 3 HA GLN 3 -15.744 -0.666 -9.939
19 HB2 GLN 3 2HB GLN 3 -14.031 -2.696 -8.508
20 HB3 GLN 3 1HB GLN 3 -15.784 -2.566 -8.493
21 HG2 GLN 3 2HG GLN 3 -15.785 -4.112 -10.079
22 HG3 GLN 3 1HG GLN 3 -15.191 -2.860 -11.167
23 HE21 GLN 3 1HE2 GLN 3 -14.727 -5.755 -11.154
24 HE22 GLN 3 2HE2 GLN 3 -13.013 -5.958 -11.089
25 H ILE 4 H ILE 4 -15.898 -0.989 -7.251
26 HA ILE 4 HA ILE 4 -13.988 0.892 -6.064
27 HB ILE 4 HB ILE 4 -15.930 2.221 -6.786
28 HG12 ILE 4 2HG1 ILE 4 -16.597 2.756 -4.180
29 HG13 ILE 4 1HG1 ILE 4 -15.056 1.926 -3.994
30 HG21 ILE 4 1HG2 ILE 4 -17.488 0.162 -6.387
31 HG22 ILE 4 2HG2 ILE 4 -18.110 1.802 -6.189
32 HG23 ILE 4 3HG2 ILE 4 -17.654 0.854 -4.773
33 HD11 ILE 4 3HD1 ILE 4 -15.649 4.482 -5.429
34 HD12 ILE 4 1HD1 ILE 4 -14.184 3.558 -5.759
35 HD13 ILE 4 2HD1 ILE 4 -14.492 4.175 -4.136
36 H LEU 5 H LEU 5 -13.666 -1.643 -5.516
37 HA LEU 5 HA LEU 5 -15.195 -2.313 -3.117
38 HB2 LEU 5 2HB LEU 5 -13.525 -3.847 -5.042
39 HB3 LEU 5 1HB LEU 5 -13.623 -4.439 -3.395
40 HG LEU 5 HG LEU 5 -15.252 -5.509 -4.921
41 HD11 LEU 5 1HD1 LEU 5 -16.777 -5.728 -3.275
42 HD12 LEU 5 2HD1 LEU 5 -16.984 -3.987 -3.085
43 HD13 LEU 5 3HD1 LEU 5 -15.598 -4.794 -2.354
44 HD21 LEU 5 3HD2 LEU 5 -17.268 -4.098 -5.520
45 HD22 LEU 5 1HD2 LEU 5 -15.798 -3.794 -6.447
46 HD23 LEU 5 2HD2 LEU 5 -16.270 -2.691 -5.155
47 H ARG 6 H ARG 6 -13.218 -0.162 -3.139
48 HA ARG 6 HA ARG 6 -11.542 0.664 -1.841
49 HB2 ARG 6 2HB ARG 6 -12.949 -0.115 -0.012
50 HB3 ARG 6 1HB ARG 6 -12.259 -1.727 -0.137
51 HG2 ARG 6 2HG ARG 6 -10.117 -0.928 0.599
52 HG3 ARG 6 1HG ARG 6 -10.690 0.741 0.575
53 HD2 ARG 6 2HD ARG 6 -12.154 -1.257 2.227
54 HD3 ARG 6 1HD ARG 6 -10.609 -0.644 2.813
55 HE ARG 6 HE ARG 6 -12.204 1.526 2.033
56 HH11 ARG 6 1HH1 ARG 6 -12.079 -0.938 4.502
57 HH12 ARG 6 2HH1 ARG 6 -12.894 0.029 5.685
58 HH21 ARG 6 1HH2 ARG 6 -13.275 2.799 3.587
59 HH22 ARG 6 2HH2 ARG 6 -13.574 2.151 5.166
60 H CYS 7 H CYS 7 -9.325 0.251 -1.024
61 HA CYS 7 HA CYS 7 -7.980 -1.626 -2.786
62 HB2 CYS 7 2HB CYS 7 -7.082 0.666 -1.070
63 HB3 CYS 7 1HB CYS 7 -5.912 -0.487 -1.697
64 HA PRO 8 HA PRO 8 -8.093 -4.542 0.718
65 HB2 PRO 8 2HB PRO 8 -6.764 -6.503 -0.742
66 HB3 PRO 8 1HB PRO 8 -8.513 -6.320 -0.621
67 HG2 PRO 8 2HG PRO 8 -6.654 -5.442 -2.778
68 HG3 PRO 8 1HG PRO 8 -8.309 -6.067 -2.905
69 HD2 PRO 8 2HD PRO 8 -7.754 -3.453 -3.182
70 HD3 PRO 8 1HD PRO 8 -9.254 -4.015 -2.415
71 H ASP 9 H ASP 9 -6.127 -6.325 1.126
72 HA ASP 9 HA ASP 9 -4.078 -4.797 2.290
73 HB2 ASP 9 2HB ASP 9 -2.938 -7.042 2.588
74 HB3 ASP 9 1HB ASP 9 -4.568 -6.921 3.247
75 H GLY 10 H GLY 10 -2.386 -3.841 1.388
76 HA2 GLY 10 2HA GLY 10 -0.302 -4.231 0.124
77 HA3 GLY 10 1HA GLY 10 -1.295 -5.005 -1.101
78 H MET 11 H MET 11 -3.391 -2.881 -0.714
79 HA MET 11 HA MET 11 -2.007 -0.726 -2.173
80 HB2 MET 11 2HB MET 11 -4.608 -2.103 -2.676
81 HB3 MET 11 1HB MET 11 -4.469 -0.400 -3.094
82 HG2 MET 11 2HG MET 11 -2.943 -0.786 -4.756
83 HG3 MET 11 1HG MET 11 -2.367 -2.285 -4.028
84 HE1 MET 11 3HE MET 11 -3.841 -3.060 -7.632
85 HE2 MET 11 1HE MET 11 -2.607 -3.737 -6.568
86 HE3 MET 11 2HE MET 11 -2.634 -2.005 -6.895
87 H GLN 12 H GLN 12 -2.239 1.300 -1.438
88 HA GLN 12 HA GLN 12 -4.387 1.877 0.473
89 HB2 GLN 12 2HB GLN 12 -1.452 2.065 0.930
90 HB3 GLN 12 1HB GLN 12 -2.457 3.345 1.594
91 HG2 GLN 12 2HG GLN 12 -3.859 1.337 2.521
92 HG3 GLN 12 1HG GLN 12 -2.348 0.458 2.298
93 HE21 GLN 12 1HE2 GLN 12 -2.535 0.235 4.652
94 HE22 GLN 12 2HE2 GLN 12 -1.899 1.492 5.652
95 H MET 13 H MET 13 -5.175 3.956 0.420
96 HA MET 13 HA MET 13 -4.495 5.484 -1.947
97 HB2 MET 13 2HB MET 13 -6.869 4.985 -0.909
98 HB3 MET 13 1HB MET 13 -6.511 6.410 0.055
99 HG2 MET 13 2HG MET 13 -6.268 7.750 -1.926
100 HG3 MET 13 1HG MET 13 -6.455 6.330 -2.953
101 HE1 MET 13 3HE MET 13 -8.948 6.628 0.266
102 HE2 MET 13 1HE MET 13 -9.732 8.109 -0.283
103 HE3 MET 13 2HE MET 13 -7.996 8.092 0.024
104 H LEU 14 H LEU 14 -3.291 7.273 -1.996
105 HA LEU 14 HA LEU 14 -2.119 8.227 0.484
106 HB2 LEU 14 2HB LEU 14 -1.560 9.322 -2.257
107 HB3 LEU 14 1HB LEU 14 -0.522 9.337 -0.843
108 HG LEU 14 HG LEU 14 -1.254 6.887 -2.448
109 HD11 LEU 14 1HD1 LEU 14 0.442 8.808 -3.245
110 HD12 LEU 14 2HD1 LEU 14 0.675 7.096 -3.602
111 HD13 LEU 14 3HD1 LEU 14 1.531 7.840 -2.251
112 HD21 LEU 14 3HD2 LEU 14 -0.805 5.915 -0.457
113 HD22 LEU 14 1HD2 LEU 14 0.117 7.297 0.135
114 HD23 LEU 14 2HD2 LEU 14 0.862 6.153 -0.981
115 H ARG 15 H ARG 15 -1.702 10.758 0.407
116 HA ARG 15 HA ARG 15 -4.163 11.987 0.936
117 HB2 ARG 15 2HB ARG 15 -2.846 14.102 1.013
118 HB3 ARG 15 1HB ARG 15 -2.158 12.805 1.980
119 HG2 ARG 15 2HG ARG 15 -0.508 12.362 0.263
120 HG3 ARG 15 1HG ARG 15 -1.226 13.600 -0.770
121 HD2 ARG 15 2HD ARG 15 0.785 14.397 0.408
122 HD3 ARG 15 1HD ARG 15 -0.658 15.319 0.827
123 HE ARG 15 HE ARG 15 -0.347 13.261 2.697
124 HH11 ARG 15 1HH1 ARG 15 1.241 16.209 1.714
125 HH12 ARG 15 2HH1 ARG 15 1.900 16.524 3.284
126 HH21 ARG 15 1HH2 ARG 15 0.517 13.675 4.763
127 HH22 ARG 15 2HH2 ARG 15 1.489 15.086 5.015
128 H SER 16 H SER 16 -2.253 11.785 -1.977
129 HA SER 16 HA SER 16 -3.507 13.884 -3.403
130 HB2 SER 16 2HB SER 16 -2.494 11.544 -4.923
131 HB3 SER 16 1HB SER 16 -2.173 13.264 -5.151
132 HG SER 16 HG SER 16 -0.757 13.176 -3.384
133 H GLY 17 H GLY 17 -4.268 10.487 -2.945
134 HA2 GLY 17 2HA GLY 17 -6.729 10.049 -3.017
135 HA3 GLY 17 1HA GLY 17 -6.712 10.889 -4.561
136 H GLN 18 H GLN 18 -4.115 9.637 -5.287
137 HA GLN 18 HA GLN 18 -5.176 7.351 -6.608
138 HB2 GLN 18 2HB GLN 18 -2.266 8.107 -6.316
139 HB3 GLN 18 1HB GLN 18 -2.980 7.089 -7.560
140 HG2 GLN 18 2HG GLN 18 -4.159 9.753 -7.416
141 HG3 GLN 18 1HG GLN 18 -2.436 9.755 -7.795
142 HE21 GLN 18 1HE2 GLN 18 -1.771 8.248 -9.546
143 HE22 GLN 18 2HE2 GLN 18 -2.826 8.084 -10.904
144 H CYS 19 H CYS 19 -4.758 5.178 -6.292
145 HA CYS 19 HA CYS 19 -3.885 4.481 -3.584
146 HB2 CYS 19 2HB CYS 19 -6.085 3.683 -5.013
147 HB3 CYS 19 1HB CYS 19 -4.981 2.336 -5.269
148 H VAL 20 H VAL 20 -1.765 4.100 -3.473
149 HA VAL 20 HA VAL 20 -0.442 2.696 -5.680
150 HB VAL 20 HB VAL 20 0.588 4.800 -4.924
151 HG11 VAL 20 1HG1 VAL 20 1.035 5.310 -2.790
152 HG12 VAL 20 2HG1 VAL 20 1.647 3.694 -2.429
153 HG13 VAL 20 3HG1 VAL 20 -0.088 4.006 -2.404
154 HG21 VAL 20 3HG2 VAL 20 2.400 2.541 -4.131
155 HG22 VAL 20 1HG2 VAL 20 2.807 4.044 -4.959
156 HG23 VAL 20 2HG2 VAL 20 1.899 2.790 -5.803
157 H ALA 21 H ALA 21 1.084 0.982 -5.191
158 HA ALA 21 HA ALA 21 0.028 -0.803 -3.158
159 HB1 ALA 21 1HB ALA 21 1.302 -2.527 -4.229
160 HB2 ALA 21 2HB ALA 21 2.214 -1.340 -5.163
161 HB3 ALA 21 3HB ALA 21 0.496 -1.579 -5.479
162 H THR 22 H THR 22 1.267 -1.773 -1.526
163 HA THR 22 HA THR 22 3.060 -0.098 -0.180
164 HB THR 22 HB THR 22 3.141 -3.042 0.305
165 HG1 THR 22 1HG THR 22 0.880 -1.387 0.698
166 HG21 THR 22 3HG2 THR 22 2.937 -2.370 2.637
167 HG22 THR 22 1HG2 THR 22 2.825 -0.681 2.143
168 HG23 THR 22 2HG2 THR 22 4.310 -1.589 1.852
169 H THR 23 H THR 23 4.702 0.502 -1.629
170 HA THR 23 HA THR 23 6.526 -1.612 -2.517
171 HB THR 23 HB THR 23 7.590 0.594 -3.606
172 HG1 THR 23 1HG THR 23 5.905 1.876 -2.570
173 HG21 THR 23 3HG2 THR 23 6.714 -0.030 -5.610
174 HG22 THR 23 1HG2 THR 23 5.109 -0.333 -4.942
175 HG23 THR 23 2HG2 THR 23 6.410 -1.494 -4.673
176 H GLU 24 H GLU 24 6.368 -0.826 0.273
177 HA GLU 24 HA GLU 24 8.571 0.858 0.918
178 HB2 GLU 24 2HB GLU 24 6.742 -0.944 2.434
179 HB3 GLU 24 1HB GLU 24 8.248 -0.459 3.202
180 HG2 GLU 24 2HG GLU 24 7.344 1.928 2.308
181 HG3 GLU 24 1HG GLU 24 5.826 1.095 2.639
182 HA PRO 25 HA PRO 25 11.847 -2.088 0.454
183 HB2 PRO 25 2HB PRO 25 13.775 -0.870 1.881
184 HB3 PRO 25 1HB PRO 25 13.205 -0.225 0.337
185 HG2 PRO 25 2HG PRO 25 12.487 0.611 3.122
186 HG3 PRO 25 1HG PRO 25 12.850 1.620 1.709
187 HD2 PRO 25 2HD PRO 25 10.313 1.076 2.555
188 HD3 PRO 25 1HD PRO 25 10.726 1.414 0.863
189 HA PRO 26 HA PRO 26 11.148 -4.345 4.344
190 HB2 PRO 26 2HB PRO 26 11.680 -6.799 3.357
191 HB3 PRO 26 1HB PRO 26 10.135 -5.986 3.076
192 HG2 PRO 26 2HG PRO 26 12.511 -6.216 1.269
193 HG3 PRO 26 1HG PRO 26 10.790 -6.394 0.881
194 HD2 PRO 26 2HD PRO 26 12.197 -4.118 0.389
195 HD3 PRO 26 1HD PRO 26 10.459 -4.125 0.745
196 H PHE 27 H PHE 27 12.580 -4.877 5.908
197 HA PHE 27 HA PHE 27 15.077 -6.093 5.504
198 HB2 PHE 27 2HB PHE 27 15.220 -3.507 4.686
199 HB3 PHE 27 1HB PHE 27 15.659 -3.332 6.382
200 HD1 PHE 27 2HD PHE 27 17.469 -5.027 7.238
201 HD2 PHE 27 1HD PHE 27 16.867 -3.988 3.156
202 HE1 PHE 27 2HE PHE 27 19.765 -5.745 6.722
203 HE2 PHE 27 1HE PHE 27 19.160 -4.704 2.630
204 HZ PHE 27 HZ PHE 27 20.613 -5.585 4.415
205 H ASP 28 H ASP 28 12.925 -6.427 7.250
206 HA ASP 28 HA ASP 28 13.399 -5.272 9.799
207 HB2 ASP 28 2HB ASP 28 11.593 -7.265 8.649
208 HB3 ASP 28 1HB ASP 28 12.064 -7.640 10.305
209 HA PRO 29 HA PRO 29 15.410 -9.698 10.715
210 HB2 PRO 29 2HB PRO 29 16.476 -10.129 7.968
211 HB3 PRO 29 1HB PRO 29 15.870 -11.307 9.139
212 HG2 PRO 29 2HG PRO 29 14.399 -10.605 7.033
213 HG3 PRO 29 1HG PRO 29 13.651 -10.882 8.617
214 HD2 PRO 29 2HD PRO 29 14.246 -8.310 7.222
215 HD3 PRO 29 1HD PRO 29 12.870 -8.744 8.257
216 H ASP 30 H ASP 30 17.673 -10.065 11.113
217 HA ASP 30 HA ASP 30 19.755 -8.639 9.891
218 HB2 ASP 30 2HB ASP 30 18.253 -6.906 11.347
219 HB3 ASP 30 1HB ASP 30 19.421 -7.423 12.560
220 H SER 31 H SER 31 18.998 -9.209 13.315
221 HA SER 31 HA SER 31 20.387 -11.621 13.573
222 HB2 SER 31 2HB SER 31 22.298 -10.408 15.022
223 HB3 SER 31 1HB SER 31 22.501 -10.795 13.314
224 HG SER 31 HG SER 31 21.439 -8.326 14.191
225 H TYR 32 H TYR 32 19.520 -8.578 15.120
226 HA TYR 32 HA TYR 32 18.353 -10.085 17.329
227 HB2 TYR 32 2HB TYR 32 20.806 -8.925 17.667
228 HB3 TYR 32 1HB TYR 32 19.732 -7.639 18.207
229 HD1 TYR 32 2HD TYR 32 20.603 -11.205 18.752
230 HD2 TYR 32 1HD TYR 32 18.716 -7.734 20.329
231 HE1 TYR 32 2HE TYR 32 20.369 -12.328 20.928
232 HE2 TYR 32 1HE TYR 32 18.478 -8.845 22.509
233 HH TYR 32 HH TYR 32 18.367 -11.556 23.190
Start of MODEL 11
1 H1 SER 1 1HT SER 1 -18.678 0.172 -10.024
2 H2 SER 1 2HT SER 1 -18.815 -1.152 -11.107
3 H3 SER 1 3HT SER 1 -19.101 0.447 -11.661
4 HA SER 1 HA SER 1 -17.010 -0.156 -12.419
5 HB2 SER 1 2HB SER 1 -17.517 2.059 -10.961
6 HB3 SER 1 1HB SER 1 -16.192 1.381 -10.014
7 HG SER 1 HG SER 1 -14.923 1.382 -11.890
8 H VAL 2 H VAL 2 -14.896 -0.992 -12.068
9 HA VAL 2 HA VAL 2 -14.837 -3.086 -10.057
10 HB VAL 2 HB VAL 2 -12.759 -2.476 -12.160
11 HG11 VAL 2 1HG1 VAL 2 -12.533 -5.082 -11.791
12 HG12 VAL 2 2HG1 VAL 2 -13.200 -4.675 -10.211
13 HG13 VAL 2 3HG1 VAL 2 -11.698 -3.928 -10.753
14 HG21 VAL 2 3HG2 VAL 2 -13.848 -4.282 -13.469
15 HG22 VAL 2 1HG2 VAL 2 -14.857 -2.848 -13.280
16 HG23 VAL 2 2HG2 VAL 2 -15.171 -4.281 -12.301
17 H GLN 3 H GLN 3 -14.756 -0.878 -8.643
18 HA GLN 3 HA GLN 3 -12.300 0.404 -8.260
19 HB2 GLN 3 2HB GLN 3 -13.219 0.853 -5.924
20 HB3 GLN 3 1HB GLN 3 -14.185 1.418 -7.279
21 HG2 GLN 3 2HG GLN 3 -15.901 0.082 -6.772
22 HG3 GLN 3 1HG GLN 3 -14.853 -1.284 -6.393
23 HE21 GLN 3 1HE2 GLN 3 -15.249 1.973 -5.037
24 HE22 GLN 3 2HE2 GLN 3 -15.490 1.451 -3.408
25 H ILE 4 H ILE 4 -11.312 0.235 -5.859
26 HA ILE 4 HA ILE 4 -11.040 -2.362 -4.759
27 HB ILE 4 HB ILE 4 -9.769 -2.756 -6.828
28 HG12 ILE 4 2HG1 ILE 4 -7.439 -3.041 -5.401
29 HG13 ILE 4 1HG1 ILE 4 -8.643 -2.942 -4.120
30 HG21 ILE 4 1HG2 ILE 4 -7.389 -1.403 -6.512
31 HG22 ILE 4 2HG2 ILE 4 -8.607 -0.185 -6.131
32 HG23 ILE 4 3HG2 ILE 4 -8.654 -1.027 -7.681
33 HD11 ILE 4 3HD1 ILE 4 -8.181 -5.245 -4.792
34 HD12 ILE 4 1HD1 ILE 4 -8.717 -4.870 -6.429
35 HD13 ILE 4 2HD1 ILE 4 -9.860 -4.796 -5.088
36 H LEU 5 H LEU 5 -11.641 -0.348 -3.314
37 HA LEU 5 HA LEU 5 -9.665 1.420 -2.439
38 HB2 LEU 5 2HB LEU 5 -11.068 1.347 -0.241
39 HB3 LEU 5 1HB LEU 5 -11.746 2.036 -1.703
40 HG LEU 5 HG LEU 5 -13.069 0.065 -2.102
41 HD11 LEU 5 1HD1 LEU 5 -12.992 -1.658 -0.099
42 HD12 LEU 5 2HD1 LEU 5 -11.322 -1.100 -0.001
43 HD13 LEU 5 3HD1 LEU 5 -11.928 -1.813 -1.497
44 HD21 LEU 5 3HD2 LEU 5 -13.185 1.075 0.730
45 HD22 LEU 5 1HD2 LEU 5 -14.410 0.020 0.027
46 HD23 LEU 5 2HD2 LEU 5 -14.126 1.619 -0.659
47 H ARG 6 H ARG 6 -10.014 -1.948 -1.866
48 HA ARG 6 HA ARG 6 -8.606 -2.080 0.606
49 HB2 ARG 6 2HB ARG 6 -10.149 -3.850 -0.356
50 HB3 ARG 6 1HB ARG 6 -8.837 -4.280 -1.445
51 HG2 ARG 6 2HG ARG 6 -8.622 -5.802 0.287
52 HG3 ARG 6 1HG ARG 6 -7.434 -4.559 0.691
53 HD2 ARG 6 2HD ARG 6 -8.736 -3.695 2.409
54 HD3 ARG 6 1HD ARG 6 -10.222 -4.399 1.770
55 HE ARG 6 HE ARG 6 -8.726 -6.565 2.409
56 HH11 ARG 6 1HH1 ARG 6 -9.699 -3.718 4.179
57 HH12 ARG 6 2HH1 ARG 6 -9.710 -4.524 5.712
58 HH21 ARG 6 1HH2 ARG 6 -8.738 -7.624 4.423
59 HH22 ARG 6 2HH2 ARG 6 -9.163 -6.741 5.851
60 H CYS 7 H CYS 7 -6.601 -1.272 0.713
61 HA CYS 7 HA CYS 7 -4.679 -2.077 -1.371
62 HB2 CYS 7 2HB CYS 7 -5.343 0.494 -0.507
63 HB3 CYS 7 1HB CYS 7 -3.799 0.154 0.267
64 HA PRO 8 HA PRO 8 -3.456 -4.446 2.414
65 HB2 PRO 8 2HB PRO 8 -1.940 -5.815 0.249
66 HB3 PRO 8 1HB PRO 8 -2.889 -6.507 1.569
67 HG2 PRO 8 2HG PRO 8 -3.838 -6.491 -0.917
68 HG3 PRO 8 1HG PRO 8 -4.905 -6.188 0.468
69 HD2 PRO 8 2HD PRO 8 -3.760 -4.259 -1.504
70 HD3 PRO 8 1HD PRO 8 -5.355 -4.264 -0.724
71 H ASP 9 H ASP 9 -1.092 -5.241 2.919
72 HA ASP 9 HA ASP 9 0.519 -3.010 3.262
73 HB2 ASP 9 2HB ASP 9 2.355 -4.696 3.732
74 HB3 ASP 9 1HB ASP 9 0.879 -4.889 4.674
75 H GLY 10 H GLY 10 2.241 -2.127 2.188
76 HA2 GLY 10 2HA GLY 10 3.957 -2.106 0.545
77 HA3 GLY 10 1HA GLY 10 3.116 -3.391 -0.310
78 H MET 11 H MET 11 0.527 -1.907 0.014
79 HA MET 11 HA MET 11 0.997 0.345 -1.807
80 HB2 MET 11 2HB MET 11 0.183 -2.017 -2.810
81 HB3 MET 11 1HB MET 11 -1.378 -1.339 -2.370
82 HG2 MET 11 2HG MET 11 -0.864 0.657 -3.709
83 HG3 MET 11 1HG MET 11 0.661 -0.081 -4.189
84 HE1 MET 11 3HE MET 11 0.934 -0.649 -6.219
85 HE2 MET 11 1HE MET 11 -0.370 0.129 -7.116
86 HE3 MET 11 2HE MET 11 -0.077 -1.600 -7.306
87 H GLN 12 H GLN 12 -0.036 2.115 -1.165
88 HA GLN 12 HA GLN 12 -2.543 1.847 0.334
89 HB2 GLN 12 2HB GLN 12 -0.100 3.391 1.187
90 HB3 GLN 12 1HB GLN 12 -1.704 3.762 1.805
91 HG2 GLN 12 2HG GLN 12 -0.882 0.940 1.972
92 HG3 GLN 12 1HG GLN 12 0.006 2.071 2.993
93 HE21 GLN 12 1HE2 GLN 12 -3.301 1.187 2.074
94 HE22 GLN 12 2HE2 GLN 12 -3.991 1.453 3.635
95 H MET 13 H MET 13 -3.390 4.248 0.732
96 HA MET 13 HA MET 13 -3.761 5.337 -1.907
97 HB2 MET 13 2HB MET 13 -4.846 6.176 0.785
98 HB3 MET 13 1HB MET 13 -5.302 6.922 -0.741
99 HG2 MET 13 2HG MET 13 -5.723 4.033 -0.014
100 HG3 MET 13 1HG MET 13 -6.952 5.295 0.029
101 HE1 MET 13 3HE MET 13 -8.140 3.069 -1.720
102 HE2 MET 13 1HE MET 13 -8.581 4.122 -3.064
103 HE3 MET 13 2HE MET 13 -8.670 4.723 -1.408
104 H LEU 14 H LEU 14 -3.004 7.236 -2.719
105 HA LEU 14 HA LEU 14 -0.974 8.609 -1.098
106 HB2 LEU 14 2HB LEU 14 0.063 9.309 -3.122
107 HB3 LEU 14 1HB LEU 14 -0.265 7.593 -3.258
108 HG LEU 14 HG LEU 14 -2.274 9.480 -4.383
109 HD11 LEU 14 1HD1 LEU 14 -0.864 9.287 -6.552
110 HD12 LEU 14 2HD1 LEU 14 0.487 9.058 -5.441
111 HD13 LEU 14 3HD1 LEU 14 -0.474 10.535 -5.368
112 HD21 LEU 14 3HD2 LEU 14 -3.060 7.587 -5.219
113 HD22 LEU 14 1HD2 LEU 14 -1.761 6.699 -4.421
114 HD23 LEU 14 2HD2 LEU 14 -1.538 7.303 -6.064
115 H ARG 15 H ARG 15 -0.703 10.999 -2.172
116 HA ARG 15 HA ARG 15 -2.818 12.500 -1.140
117 HB2 ARG 15 2HB ARG 15 -0.816 13.438 -3.196
118 HB3 ARG 15 1HB ARG 15 -1.711 14.437 -2.059
119 HG2 ARG 15 2HG ARG 15 -0.082 12.327 -0.831
120 HG3 ARG 15 1HG ARG 15 0.826 13.575 -1.686
121 HD2 ARG 15 2HD ARG 15 -0.671 15.229 -0.385
122 HD3 ARG 15 1HD ARG 15 -1.016 13.852 0.661
123 HE ARG 15 HE ARG 15 1.790 14.299 0.238
124 HH11 ARG 15 1HH1 ARG 15 -0.983 15.181 2.165
125 HH12 ARG 15 2HH1 ARG 15 -0.035 15.679 3.526
126 HH21 ARG 15 1HH2 ARG 15 3.038 14.953 2.027
127 HH22 ARG 15 2HH2 ARG 15 2.247 15.549 3.447
128 H SER 16 H SER 16 -2.128 11.470 -4.436
129 HA SER 16 HA SER 16 -4.106 13.028 -5.711
130 HB2 SER 16 2HB SER 16 -2.521 10.601 -6.450
131 HB3 SER 16 1HB SER 16 -3.894 11.060 -7.456
132 HG SER 16 HG SER 16 -2.610 12.469 -8.313
133 H GLY 17 H GLY 17 -4.199 9.941 -4.069
134 HA2 GLY 17 2HA GLY 17 -6.415 9.417 -3.080
135 HA3 GLY 17 1HA GLY 17 -7.092 9.790 -4.657
136 H GLN 18 H GLN 18 -4.962 8.464 -6.127
137 HA GLN 18 HA GLN 18 -6.081 5.903 -6.341
138 HB2 GLN 18 2HB GLN 18 -4.051 7.427 -7.660
139 HB3 GLN 18 1HB GLN 18 -3.419 5.819 -7.338
140 HG2 GLN 18 2HG GLN 18 -4.421 5.243 -9.237
141 HG3 GLN 18 1HG GLN 18 -5.912 5.265 -8.297
142 HE21 GLN 18 1HE2 GLN 18 -4.714 6.170 -11.121
143 HE22 GLN 18 2HE2 GLN 18 -5.626 7.607 -11.423
144 H CYS 19 H CYS 19 -3.994 4.106 -6.480
145 HA CYS 19 HA CYS 19 -3.069 3.945 -3.686
146 HB2 CYS 19 2HB CYS 19 -4.724 2.119 -5.193
147 HB3 CYS 19 1HB CYS 19 -3.239 1.320 -4.690
148 H VAL 20 H VAL 20 -0.963 4.467 -3.846
149 HA VAL 20 HA VAL 20 0.642 3.261 -5.985
150 HB VAL 20 HB VAL 20 1.458 5.408 -4.022
151 HG11 VAL 20 1HG1 VAL 20 2.753 4.231 -6.464
152 HG12 VAL 20 2HG1 VAL 20 3.410 4.385 -4.834
153 HG13 VAL 20 3HG1 VAL 20 3.197 5.819 -5.838
154 HG21 VAL 20 3HG2 VAL 20 0.559 6.986 -5.329
155 HG22 VAL 20 1HG2 VAL 20 -0.403 5.680 -6.023
156 HG23 VAL 20 2HG2 VAL 20 1.092 6.189 -6.809
157 H ALA 21 H ALA 21 2.745 2.357 -5.455
158 HA ALA 21 HA ALA 21 2.589 0.513 -3.293
159 HB1 ALA 21 1HB ALA 21 4.503 1.092 -5.475
160 HB2 ALA 21 2HB ALA 21 3.783 -0.436 -4.972
161 HB3 ALA 21 3HB ALA 21 5.131 0.244 -4.061
162 H THR 22 H THR 22 2.630 1.404 -1.293
163 HA THR 22 HA THR 22 4.283 3.586 -0.548
164 HB THR 22 HB THR 22 3.366 1.722 1.565
165 HG1 THR 22 1HG THR 22 1.611 2.975 -0.258
166 HG21 THR 22 3HG2 THR 22 2.229 4.325 1.708
167 HG22 THR 22 1HG2 THR 22 3.952 4.466 1.361
168 HG23 THR 22 2HG2 THR 22 3.409 3.564 2.775
169 H THR 23 H THR 23 6.434 3.307 -0.821
170 HA THR 23 HA THR 23 7.689 0.889 0.262
171 HB THR 23 HB THR 23 8.330 1.384 -2.007
172 HG1 THR 23 1HG THR 23 10.068 0.625 -0.946
173 HG21 THR 23 3HG2 THR 23 8.480 3.431 -2.810
174 HG22 THR 23 1HG2 THR 23 9.861 3.745 -1.760
175 HG23 THR 23 2HG2 THR 23 8.227 4.095 -1.197
176 H GLU 24 H GLU 24 6.657 3.020 1.964
177 HA GLU 24 HA GLU 24 9.002 4.391 2.972
178 HB2 GLU 24 2HB GLU 24 6.112 4.644 3.268
179 HB3 GLU 24 1HB GLU 24 6.960 4.806 4.801
180 HG2 GLU 24 2HG GLU 24 8.178 6.314 2.618
181 HG3 GLU 24 1HG GLU 24 6.530 6.809 3.003
182 HA PRO 25 HA PRO 25 8.250 1.617 6.784
183 HB2 PRO 25 2HB PRO 25 6.181 -0.097 6.862
184 HB3 PRO 25 1HB PRO 25 5.988 1.615 7.262
185 HG2 PRO 25 2HG PRO 25 5.333 0.179 4.718
186 HG3 PRO 25 1HG PRO 25 4.394 1.409 5.581
187 HD2 PRO 25 2HD PRO 25 5.961 1.948 3.406
188 HD3 PRO 25 1HD PRO 25 5.590 3.137 4.668
189 HA PRO 26 HA PRO 26 10.346 -1.938 5.174
190 HB2 PRO 26 2HB PRO 26 10.660 -3.395 7.438
191 HB3 PRO 26 1HB PRO 26 11.584 -1.924 7.112
192 HG2 PRO 26 2HG PRO 26 9.152 -2.295 8.818
193 HG3 PRO 26 1HG PRO 26 10.621 -1.357 9.151
194 HD2 PRO 26 2HD PRO 26 8.320 -0.213 8.294
195 HD3 PRO 26 1HD PRO 26 9.922 0.429 7.876
196 H PHE 27 H PHE 27 10.250 -4.484 5.576
197 HA PHE 27 HA PHE 27 7.454 -5.231 5.131
198 HB2 PHE 27 2HB PHE 27 8.664 -7.397 4.272
199 HB3 PHE 27 1HB PHE 27 8.591 -5.963 3.260
200 HD1 PHE 27 1HD PHE 27 10.780 -7.480 5.873
201 HD2 PHE 27 2HD PHE 27 10.529 -5.282 2.238
202 HE1 PHE 27 1HE PHE 27 13.234 -7.489 5.703
203 HE2 PHE 27 2HE PHE 27 12.982 -5.288 2.060
204 HZ PHE 27 HZ PHE 27 14.338 -6.394 3.793
205 H ASP 28 H ASP 28 7.294 -7.806 5.639
206 HA ASP 28 HA ASP 28 7.042 -8.017 8.395
207 HB2 ASP 28 2HB ASP 28 6.954 -9.915 6.118
208 HB3 ASP 28 1HB ASP 28 7.200 -10.621 7.712
209 HA PRO 29 HA PRO 29 11.122 -10.552 8.617
210 HB2 PRO 29 2HB PRO 29 12.671 -10.746 6.407
211 HB3 PRO 29 1HB PRO 29 11.359 -11.878 6.750
212 HG2 PRO 29 2HG PRO 29 11.384 -9.509 4.920
213 HG3 PRO 29 1HG PRO 29 10.707 -11.126 4.649
214 HD2 PRO 29 2HD PRO 29 9.185 -8.992 5.358
215 HD3 PRO 29 1HD PRO 29 8.788 -10.657 5.829
216 H ASP 30 H ASP 30 13.666 -10.034 7.990
217 HA ASP 30 HA ASP 30 14.297 -7.350 7.396
218 HB2 ASP 30 2HB ASP 30 14.913 -6.539 9.620
219 HB3 ASP 30 1HB ASP 30 13.196 -6.927 9.557
220 H SER 31 H SER 31 15.211 -10.221 9.232
221 HA SER 31 HA SER 31 17.552 -10.695 7.779
222 HB2 SER 31 2HB SER 31 17.860 -8.990 10.209
223 HB3 SER 31 1HB SER 31 19.090 -10.216 9.893
224 HG SER 31 HG SER 31 19.550 -8.162 8.928
225 H TYR 32 H TYR 32 15.947 -10.992 10.901
226 HA TYR 32 HA TYR 32 16.408 -13.871 10.817
227 HB2 TYR 32 2HB TYR 32 17.129 -13.953 13.151
228 HB3 TYR 32 1HB TYR 32 18.234 -12.969 12.197
229 HD1 TYR 32 1HD TYR 32 15.656 -12.926 14.806
230 HD2 TYR 32 2HD TYR 32 18.414 -10.586 12.567
231 HE1 TYR 32 1HE TYR 32 15.360 -11.071 16.392
232 HE2 TYR 32 2HE TYR 32 18.127 -8.723 14.148
233 HH TYR 32 HH TYR 32 16.503 -9.091 17.146
Start of MODEL 12
1 H1 SER 1 1HT SER 1 -17.688 -7.882 -3.905
2 H2 SER 1 2HT SER 1 -18.918 -6.696 -3.743
3 H3 SER 1 3HT SER 1 -17.463 -6.557 -2.842
4 HA SER 1 HA SER 1 -16.213 -6.227 -4.806
5 HB2 SER 1 2HB SER 1 -18.768 -6.165 -6.386
6 HB3 SER 1 1HB SER 1 -17.116 -6.399 -6.955
7 HG SER 1 HG SER 1 -17.192 -8.474 -6.392
8 H VAL 2 H VAL 2 -16.350 -4.171 -6.196
9 HA VAL 2 HA VAL 2 -16.466 -1.897 -6.185
10 HB VAL 2 HB VAL 2 -19.320 -2.429 -5.354
11 HG11 VAL 2 1HG1 VAL 2 -18.900 -0.126 -5.032
12 HG12 VAL 2 2HG1 VAL 2 -19.704 -0.252 -6.598
13 HG13 VAL 2 3HG1 VAL 2 -17.959 -0.013 -6.519
14 HG21 VAL 2 3HG2 VAL 2 -17.886 -2.696 -7.922
15 HG22 VAL 2 1HG2 VAL 2 -19.471 -1.926 -7.983
16 HG23 VAL 2 2HG2 VAL 2 -19.306 -3.551 -7.318
17 H GLN 3 H GLN 3 -15.019 -2.009 -4.266
18 HA GLN 3 HA GLN 3 -16.289 -1.334 -1.729
19 HB2 GLN 3 2HB GLN 3 -13.333 -1.603 -2.254
20 HB3 GLN 3 1HB GLN 3 -14.170 -1.709 -0.712
21 HG2 GLN 3 2HG GLN 3 -15.304 -3.770 -1.581
22 HG3 GLN 3 1HG GLN 3 -14.218 -3.694 -2.969
23 HE21 GLN 3 1HE2 GLN 3 -14.141 -5.924 -1.538
24 HE22 GLN 3 2HE2 GLN 3 -12.714 -6.006 -0.568
25 H ILE 4 H ILE 4 -14.415 0.281 -0.555
26 HA ILE 4 HA ILE 4 -14.824 2.782 -2.025
27 HB ILE 4 HB ILE 4 -13.896 2.487 0.829
28 HG12 ILE 4 2HG1 ILE 4 -16.651 3.335 0.521
29 HG13 ILE 4 1HG1 ILE 4 -16.403 1.745 -0.189
30 HG21 ILE 4 1HG2 ILE 4 -14.639 4.737 -0.937
31 HG22 ILE 4 2HG2 ILE 4 -13.470 4.664 0.381
32 HG23 ILE 4 3HG2 ILE 4 -15.190 4.825 0.736
33 HD11 ILE 4 3HD1 ILE 4 -16.383 2.587 2.616
34 HD12 ILE 4 1HD1 ILE 4 -15.115 1.446 2.165
35 HD13 ILE 4 2HD1 ILE 4 -16.809 1.036 1.893
36 H LEU 5 H LEU 5 -12.730 0.921 -2.789
37 HA LEU 5 HA LEU 5 -10.614 2.709 -3.179
38 HB2 LEU 5 2HB LEU 5 -8.893 1.406 -1.799
39 HB3 LEU 5 1HB LEU 5 -9.928 2.545 -0.960
40 HG LEU 5 HG LEU 5 -11.378 0.268 -0.679
41 HD11 LEU 5 1HD1 LEU 5 -10.093 -1.440 -1.377
42 HD12 LEU 5 2HD1 LEU 5 -9.318 -1.242 0.195
43 HD13 LEU 5 3HD1 LEU 5 -8.599 -0.512 -1.243
44 HD21 LEU 5 3HD2 LEU 5 -10.988 0.575 1.524
45 HD22 LEU 5 1HD2 LEU 5 -10.208 2.051 0.956
46 HD23 LEU 5 2HD2 LEU 5 -9.237 0.625 1.319
47 H ARG 6 H ARG 6 -10.478 2.003 -5.241
48 HA ARG 6 HA ARG 6 -10.445 -0.794 -5.902
49 HB2 ARG 6 2HB ARG 6 -11.203 1.389 -7.280
50 HB3 ARG 6 1HB ARG 6 -9.568 1.210 -7.903
51 HG2 ARG 6 2HG ARG 6 -10.103 -0.579 -9.130
52 HG3 ARG 6 1HG ARG 6 -11.087 -1.285 -7.846
53 HD2 ARG 6 2HD ARG 6 -11.902 0.881 -9.778
54 HD3 ARG 6 1HD ARG 6 -12.494 -0.779 -9.734
55 HE ARG 6 HE ARG 6 -13.033 0.325 -7.252
56 HH11 ARG 6 1HH1 ARG 6 -13.939 0.902 -10.574
57 HH12 ARG 6 2HH1 ARG 6 -15.494 1.546 -10.169
58 HH21 ARG 6 1HH2 ARG 6 -15.079 1.174 -6.718
59 HH22 ARG 6 2HH2 ARG 6 -16.141 1.703 -7.980
60 H CYS 7 H CYS 7 -8.511 -0.872 -4.258
61 HA CYS 7 HA CYS 7 -6.140 -1.257 -5.866
62 HB2 CYS 7 2HB CYS 7 -6.251 0.759 -3.630
63 HB3 CYS 7 1HB CYS 7 -4.740 0.012 -4.134
64 HA PRO 8 HA PRO 8 -6.890 -4.612 -2.778
65 HB2 PRO 8 2HB PRO 8 -5.317 -6.370 -4.264
66 HB3 PRO 8 1HB PRO 8 -7.073 -6.237 -4.347
67 HG2 PRO 8 2HG PRO 8 -4.992 -5.087 -6.142
68 HG3 PRO 8 1HG PRO 8 -6.602 -5.713 -6.542
69 HD2 PRO 8 2HD PRO 8 -6.082 -3.077 -6.450
70 HD3 PRO 8 1HD PRO 8 -7.653 -3.737 -5.949
71 H ASP 9 H ASP 9 -4.921 -6.413 -2.339
72 HA ASP 9 HA ASP 9 -3.126 -5.036 -0.694
73 HB2 ASP 9 2HB ASP 9 -3.865 -7.622 -0.910
74 HB3 ASP 9 1HB ASP 9 -2.284 -7.701 -1.681
75 H GLY 10 H GLY 10 -1.060 -4.322 -0.934
76 HA2 GLY 10 2HA GLY 10 1.028 -4.065 -1.966
77 HA3 GLY 10 1HA GLY 10 0.423 -4.948 -3.361
78 H MET 11 H MET 11 -1.981 -2.888 -2.922
79 HA MET 11 HA MET 11 -0.678 -0.629 -4.277
80 HB2 MET 11 2HB MET 11 -2.846 -2.377 -5.280
81 HB3 MET 11 1HB MET 11 -3.079 -0.650 -5.522
82 HG2 MET 11 2HG MET 11 -0.904 -0.532 -6.653
83 HG3 MET 11 1HG MET 11 -0.719 -2.273 -6.445
84 HE1 MET 11 3HE MET 11 -1.241 -1.837 -10.225
85 HE2 MET 11 1HE MET 11 -0.837 -3.231 -9.222
86 HE3 MET 11 2HE MET 11 -0.090 -1.667 -8.900
87 H GLN 12 H GLN 12 -1.430 1.369 -3.742
88 HA GLN 12 HA GLN 12 -3.925 1.674 -2.301
89 HB2 GLN 12 2HB GLN 12 -1.274 1.790 -0.991
90 HB3 GLN 12 1HB GLN 12 -2.383 3.095 -0.590
91 HG2 GLN 12 2HG GLN 12 -3.306 0.261 -0.454
92 HG3 GLN 12 1HG GLN 12 -2.339 0.943 0.851
93 HE21 GLN 12 1HE2 GLN 12 -3.213 3.403 1.196
94 HE22 GLN 12 2HE2 GLN 12 -4.896 3.443 1.580
95 H MET 13 H MET 13 -4.717 3.777 -2.320
96 HA MET 13 HA MET 13 -3.565 5.479 -4.351
97 HB2 MET 13 2HB MET 13 -6.134 5.366 -2.854
98 HB3 MET 13 1HB MET 13 -5.644 6.925 -3.503
99 HG2 MET 13 2HG MET 13 -5.250 5.393 -5.667
100 HG3 MET 13 1HG MET 13 -6.548 4.488 -4.890
101 HE1 MET 13 3HE MET 13 -9.088 5.327 -4.790
102 HE2 MET 13 1HE MET 13 -9.437 7.054 -4.706
103 HE3 MET 13 2HE MET 13 -8.361 6.314 -3.522
104 H LEU 14 H LEU 14 -2.584 7.420 -4.070
105 HA LEU 14 HA LEU 14 -1.917 8.152 -1.307
106 HB2 LEU 14 2HB LEU 14 -0.598 9.248 -3.774
107 HB3 LEU 14 1HB LEU 14 0.025 9.197 -2.135
108 HG LEU 14 HG LEU 14 -0.308 6.849 -4.002
109 HD11 LEU 14 1HD1 LEU 14 2.219 6.760 -3.555
110 HD12 LEU 14 2HD1 LEU 14 2.039 8.429 -3.014
111 HD13 LEU 14 3HD1 LEU 14 1.613 7.987 -4.667
112 HD21 LEU 14 3HD2 LEU 14 -0.662 5.782 -2.027
113 HD22 LEU 14 1HD2 LEU 14 0.161 7.022 -1.079
114 HD23 LEU 14 2HD2 LEU 14 1.102 5.837 -1.988
115 H ARG 15 H ARG 15 -1.294 10.700 -1.345
116 HA ARG 15 HA ARG 15 -3.757 12.049 -1.363
117 HB2 ARG 15 2HB ARG 15 -0.907 12.844 -1.013
118 HB3 ARG 15 1HB ARG 15 -2.082 14.115 -1.322
119 HG2 ARG 15 2HG ARG 15 -1.811 13.904 1.035
120 HG3 ARG 15 1HG ARG 15 -3.404 13.280 0.610
121 HD2 ARG 15 2HD ARG 15 -2.738 11.055 0.909
122 HD3 ARG 15 1HD ARG 15 -1.025 11.468 0.852
123 HE ARG 15 HE ARG 15 -2.757 11.563 3.142
124 HH11 ARG 15 1HH1 ARG 15 0.163 12.834 1.713
125 HH12 ARG 15 2HH1 ARG 15 0.868 13.265 3.236
126 HH21 ARG 15 1HH2 ARG 15 -1.834 12.132 5.143
127 HH22 ARG 15 2HH2 ARG 15 -0.265 12.868 5.183
128 H SER 16 H SER 16 -1.223 11.765 -3.760
129 HA SER 16 HA SER 16 -2.039 13.874 -5.448
130 HB2 SER 16 2HB SER 16 -0.872 12.195 -7.198
131 HB3 SER 16 1HB SER 16 0.050 13.191 -6.073
132 HG SER 16 HG SER 16 -0.772 10.518 -5.586
133 H GLY 17 H GLY 17 -3.129 10.576 -5.069
134 HA2 GLY 17 2HA GLY 17 -5.480 10.193 -5.706
135 HA3 GLY 17 1HA GLY 17 -5.130 11.069 -7.189
136 H GLN 18 H GLN 18 -2.483 9.744 -7.432
137 HA GLN 18 HA GLN 18 -3.382 7.465 -8.924
138 HB2 GLN 18 2HB GLN 18 -0.795 8.880 -8.515
139 HB3 GLN 18 1HB GLN 18 -0.729 7.210 -9.062
140 HG2 GLN 18 2HG GLN 18 -1.736 7.685 -11.077
141 HG3 GLN 18 1HG GLN 18 -2.505 9.150 -10.466
142 HE21 GLN 18 1HE2 GLN 18 0.098 7.871 -12.174
143 HE22 GLN 18 2HE2 GLN 18 1.046 9.310 -12.304
144 H CYS 19 H CYS 19 -2.852 5.293 -8.587
145 HA CYS 19 HA CYS 19 -2.439 4.605 -5.781
146 HB2 CYS 19 2HB CYS 19 -4.330 3.662 -7.252
147 HB3 CYS 19 1HB CYS 19 -3.081 2.665 -7.991
148 H VAL 20 H VAL 20 -0.412 4.288 -5.148
149 HA VAL 20 HA VAL 20 1.544 3.231 -7.058
150 HB VAL 20 HB VAL 20 2.087 4.370 -4.317
151 HG11 VAL 20 1HG1 VAL 20 4.348 4.780 -5.565
152 HG12 VAL 20 2HG1 VAL 20 3.776 3.477 -6.608
153 HG13 VAL 20 3HG1 VAL 20 3.985 3.196 -4.879
154 HG21 VAL 20 3HG2 VAL 20 2.817 6.409 -5.599
155 HG22 VAL 20 1HG2 VAL 20 1.076 6.129 -5.553
156 HG23 VAL 20 2HG2 VAL 20 1.996 5.727 -7.003
157 H ALA 21 H ALA 21 3.079 1.603 -6.325
158 HA ALA 21 HA ALA 21 1.778 -0.612 -5.122
159 HB1 ALA 21 1HB ALA 21 3.609 -0.675 -6.872
160 HB2 ALA 21 2HB ALA 21 3.754 -1.828 -5.544
161 HB3 ALA 21 3HB ALA 21 4.743 -0.366 -5.556
162 H THR 22 H THR 22 1.260 -0.540 -3.018
163 HA THR 22 HA THR 22 2.948 0.744 -1.071
164 HB THR 22 HB THR 22 0.945 -0.915 0.144
165 HG1 THR 22 1HG THR 22 0.046 0.687 -2.015
166 HG21 THR 22 3HG2 THR 22 1.367 2.027 -0.159
167 HG22 THR 22 1HG2 THR 22 1.475 1.026 1.288
168 HG23 THR 22 2HG2 THR 22 -0.100 1.386 0.580
169 H THR 23 H THR 23 4.888 -0.399 -1.109
170 HA THR 23 HA THR 23 4.744 -3.094 0.068
171 HB THR 23 HB THR 23 5.439 -3.217 -2.290
172 HG1 THR 23 1HG THR 23 6.358 -4.759 -1.012
173 HG21 THR 23 3HG2 THR 23 7.031 -0.950 -1.634
174 HG22 THR 23 1HG2 THR 23 6.756 -1.704 -3.204
175 HG23 THR 23 2HG2 THR 23 8.078 -2.261 -2.177
176 H GLU 24 H GLU 24 4.860 -0.846 1.651
177 HA GLU 24 HA GLU 24 7.378 0.117 2.328
178 HB2 GLU 24 2HB GLU 24 5.015 0.807 3.161
179 HB3 GLU 24 1HB GLU 24 5.285 -0.395 4.416
180 HG2 GLU 24 2HG GLU 24 7.304 0.784 5.116
181 HG3 GLU 24 1HG GLU 24 7.039 1.987 3.854
182 HA PRO 25 HA PRO 25 8.995 -3.805 3.906
183 HB2 PRO 25 2HB PRO 25 11.580 -3.039 4.022
184 HB3 PRO 25 1HB PRO 25 10.793 -3.476 2.500
185 HG2 PRO 25 2HG PRO 25 11.332 -0.760 3.640
186 HG3 PRO 25 1HG PRO 25 11.543 -1.335 1.977
187 HD2 PRO 25 2HD PRO 25 9.390 0.117 2.779
188 HD3 PRO 25 1HD PRO 25 9.314 -1.084 1.474
189 HA PRO 26 HA PRO 26 9.195 -2.854 8.228
190 HB2 PRO 26 2HB PRO 26 10.467 -5.051 9.159
191 HB3 PRO 26 1HB PRO 26 8.798 -5.095 8.578
192 HG2 PRO 26 2HG PRO 26 11.318 -5.887 7.167
193 HG3 PRO 26 1HG PRO 26 9.750 -6.716 7.207
194 HD2 PRO 26 2HD PRO 26 10.544 -5.166 5.124
195 HD3 PRO 26 1HD PRO 26 8.843 -5.350 5.595
196 H PHE 27 H PHE 27 11.052 -3.378 10.078
197 HA PHE 27 HA PHE 27 13.008 -1.423 9.693
198 HB2 PHE 27 2HB PHE 27 12.134 -3.053 11.808
199 HB3 PHE 27 1HB PHE 27 13.856 -3.382 11.643
200 HD1 PHE 27 2HD PHE 27 15.498 -1.622 12.003
201 HD2 PHE 27 1HD PHE 27 11.335 -0.903 12.516
202 HE1 PHE 27 2HE PHE 27 16.011 0.451 13.223
203 HE2 PHE 27 1HE PHE 27 11.840 1.172 13.736
204 HZ PHE 27 HZ PHE 27 14.180 1.852 14.091
205 H ASP 28 H ASP 28 15.434 -1.919 10.031
206 HA ASP 28 HA ASP 28 16.389 -3.219 7.747
207 HB2 ASP 28 2HB ASP 28 17.549 -1.888 10.082
208 HB3 ASP 28 1HB ASP 28 18.565 -3.180 9.445
209 HA PRO 29 HA PRO 29 17.942 -6.771 10.869
210 HB2 PRO 29 2HB PRO 29 15.600 -6.434 12.697
211 HB3 PRO 29 1HB PRO 29 17.237 -6.992 13.060
212 HG2 PRO 29 2HG PRO 29 16.472 -4.517 13.683
213 HG3 PRO 29 1HG PRO 29 18.108 -4.846 13.085
214 HD2 PRO 29 2HD PRO 29 15.808 -3.572 11.703
215 HD3 PRO 29 1HD PRO 29 17.547 -3.308 11.485
216 H ASP 30 H ASP 30 16.876 -8.933 11.195
217 HA ASP 30 HA ASP 30 14.276 -9.241 9.936
218 HB2 ASP 30 2HB ASP 30 15.860 -9.287 8.049
219 HB3 ASP 30 1HB ASP 30 16.743 -10.596 8.827
220 H SER 31 H SER 31 17.009 -11.410 10.607
221 HA SER 31 HA SER 31 15.999 -12.481 12.993
222 HB2 SER 31 2HB SER 31 15.511 -14.817 11.758
223 HB3 SER 31 1HB SER 31 14.247 -13.632 12.083
224 HG SER 31 HG SER 31 13.963 -13.742 10.000
225 H TYR 32 H TYR 32 18.305 -12.068 13.231
226 HA TYR 32 HA TYR 32 20.120 -13.880 11.870
227 HB2 TYR 32 2HB TYR 32 21.856 -12.690 13.275
228 HB3 TYR 32 1HB TYR 32 20.963 -11.671 12.152
229 HD1 TYR 32 2HD TYR 32 20.758 -12.839 15.700
230 HD2 TYR 32 1HD TYR 32 20.162 -9.656 12.941
231 HE1 TYR 32 2HE TYR 32 20.134 -11.354 17.557
232 HE2 TYR 32 1HE TYR 32 19.536 -8.161 14.790
233 HH TYR 32 HH TYR 32 20.182 -8.759 17.936
Start of MODEL 13
1 H1 SER 1 1HT SER 1 -15.373 8.863 -10.168
2 H2 SER 1 2HT SER 1 -14.128 8.082 -9.281
3 H3 SER 1 3HT SER 1 -15.753 8.005 -8.733
4 HA SER 1 HA SER 1 -16.400 6.685 -10.519
5 HB2 SER 1 2HB SER 1 -13.576 6.895 -11.576
6 HB3 SER 1 1HB SER 1 -14.983 6.208 -12.385
7 HG SER 1 HG SER 1 -14.547 8.295 -13.160
8 H VAL 2 H VAL 2 -16.422 5.513 -8.474
9 HA VAL 2 HA VAL 2 -14.090 3.996 -7.715
10 HB VAL 2 HB VAL 2 -16.919 3.659 -6.716
11 HG11 VAL 2 1HG1 VAL 2 -14.250 2.648 -5.864
12 HG12 VAL 2 2HG1 VAL 2 -15.805 1.818 -5.926
13 HG13 VAL 2 3HG1 VAL 2 -15.473 2.973 -4.636
14 HG21 VAL 2 3HG2 VAL 2 -16.641 5.799 -6.038
15 HG22 VAL 2 1HG2 VAL 2 -14.883 5.723 -6.162
16 HG23 VAL 2 2HG2 VAL 2 -15.698 5.037 -4.756
17 H GLN 3 H GLN 3 -13.869 1.740 -7.798
18 HA GLN 3 HA GLN 3 -15.701 0.349 -9.627
19 HB2 GLN 3 2HB GLN 3 -13.199 1.073 -10.359
20 HB3 GLN 3 1HB GLN 3 -12.869 -0.500 -9.645
21 HG2 GLN 3 2HG GLN 3 -14.724 -1.391 -11.135
22 HG3 GLN 3 1HG GLN 3 -14.630 0.153 -11.981
23 HE21 GLN 3 1HE2 GLN 3 -14.175 -1.779 -13.586
24 HE22 GLN 3 2HE2 GLN 3 -12.497 -2.047 -13.898
25 H ILE 4 H ILE 4 -15.571 -2.039 -9.447
26 HA ILE 4 HA ILE 4 -15.908 -2.862 -6.775
27 HB ILE 4 HB ILE 4 -17.049 -3.965 -8.644
28 HG12 ILE 4 2HG1 ILE 4 -16.775 -6.274 -7.889
29 HG13 ILE 4 1HG1 ILE 4 -15.232 -5.868 -7.146
30 HG21 ILE 4 1HG2 ILE 4 -15.394 -3.933 -10.349
31 HG22 ILE 4 2HG2 ILE 4 -15.752 -5.626 -10.006
32 HG23 ILE 4 3HG2 ILE 4 -14.279 -4.891 -9.372
33 HD11 ILE 4 3HD1 ILE 4 -17.671 -5.906 -5.896
34 HD12 ILE 4 1HD1 ILE 4 -17.410 -4.189 -6.209
35 HD13 ILE 4 2HD1 ILE 4 -16.213 -5.113 -5.300
36 H LEU 5 H LEU 5 -13.150 -2.869 -8.902
37 HA LEU 5 HA LEU 5 -11.566 -4.786 -7.609
38 HB2 LEU 5 2HB LEU 5 -11.052 -2.489 -9.424
39 HB3 LEU 5 1HB LEU 5 -9.683 -3.159 -8.558
40 HG LEU 5 HG LEU 5 -10.567 -5.440 -9.514
41 HD11 LEU 5 1HD1 LEU 5 -11.904 -5.399 -11.359
42 HD12 LEU 5 2HD1 LEU 5 -11.418 -3.765 -11.814
43 HD13 LEU 5 3HD1 LEU 5 -12.563 -4.010 -10.494
44 HD21 LEU 5 3HD2 LEU 5 -8.455 -4.938 -10.202
45 HD22 LEU 5 1HD2 LEU 5 -8.898 -3.322 -10.754
46 HD23 LEU 5 2HD2 LEU 5 -9.305 -4.731 -11.732
47 H ARG 6 H ARG 6 -10.724 -1.351 -7.510
48 HA ARG 6 HA ARG 6 -9.879 -0.036 -5.859
49 HB2 ARG 6 2HB ARG 6 -12.124 -0.328 -4.920
50 HB3 ARG 6 1HB ARG 6 -11.604 -1.801 -4.116
51 HG2 ARG 6 2HG ARG 6 -10.310 -0.650 -2.569
52 HG3 ARG 6 1HG ARG 6 -10.231 0.800 -3.573
53 HD2 ARG 6 2HD ARG 6 -12.307 1.520 -2.939
54 HD3 ARG 6 1HD ARG 6 -12.898 -0.111 -2.633
55 HE ARG 6 HE ARG 6 -11.567 1.635 -0.772
56 HH11 ARG 6 1HH1 ARG 6 -12.362 -1.677 -1.535
57 HH12 ARG 6 2HH1 ARG 6 -12.212 -2.221 0.101
58 HH21 ARG 6 1HH2 ARG 6 -11.370 0.922 1.380
59 HH22 ARG 6 2HH2 ARG 6 -11.650 -0.745 1.757
60 H CYS 7 H CYS 7 -8.471 -0.013 -3.906
61 HA CYS 7 HA CYS 7 -6.531 -2.124 -4.099
62 HB2 CYS 7 2HB CYS 7 -6.670 0.566 -2.890
63 HB3 CYS 7 1HB CYS 7 -5.636 -0.584 -2.049
64 HA PRO 8 HA PRO 8 -8.593 -4.658 -0.985
65 HB2 PRO 8 2HB PRO 8 -5.873 -5.882 -1.014
66 HB3 PRO 8 1HB PRO 8 -7.457 -6.659 -1.110
67 HG2 PRO 8 2HG PRO 8 -5.932 -6.382 -3.280
68 HG3 PRO 8 1HG PRO 8 -7.693 -6.200 -3.367
69 HD2 PRO 8 2HD PRO 8 -5.567 -4.117 -3.446
70 HD3 PRO 8 1HD PRO 8 -7.149 -4.151 -4.244
71 H ASP 9 H ASP 9 -7.706 -5.598 1.206
72 HA ASP 9 HA ASP 9 -7.167 -3.445 2.903
73 HB2 ASP 9 2HB ASP 9 -8.179 -5.700 3.510
74 HB3 ASP 9 1HB ASP 9 -6.533 -6.327 3.545
75 H GLY 10 H GLY 10 -5.348 -2.490 3.607
76 HA2 GLY 10 2HA GLY 10 -3.037 -2.571 4.275
77 HA3 GLY 10 1HA GLY 10 -2.775 -3.818 3.065
78 H MET 11 H MET 11 -4.466 -2.159 1.154
79 HA MET 11 HA MET 11 -2.331 -0.268 0.422
80 HB2 MET 11 2HB MET 11 -4.265 -1.820 -1.299
81 HB3 MET 11 1HB MET 11 -3.262 -0.514 -1.916
82 HG2 MET 11 2HG MET 11 -1.475 -2.157 -0.593
83 HG3 MET 11 1HG MET 11 -2.592 -3.277 -1.372
84 HE1 MET 11 3HE MET 11 -0.237 -3.918 -2.059
85 HE2 MET 11 1HE MET 11 0.645 -3.233 -3.424
86 HE3 MET 11 2HE MET 11 -0.794 -4.211 -3.707
87 H GLN 12 H GLN 12 -2.850 1.775 0.802
88 HA GLN 12 HA GLN 12 -5.652 2.607 0.430
89 HB2 GLN 12 2HB GLN 12 -5.251 4.342 2.125
90 HB3 GLN 12 1HB GLN 12 -5.003 2.728 2.776
91 HG2 GLN 12 2HG GLN 12 -2.495 3.410 1.915
92 HG3 GLN 12 1HG GLN 12 -3.137 4.945 2.498
93 HE21 GLN 12 1HE2 GLN 12 -1.494 4.793 4.135
94 HE22 GLN 12 2HE2 GLN 12 -1.771 3.833 5.544
95 H MET 13 H MET 13 -6.058 4.267 -0.916
96 HA MET 13 HA MET 13 -3.901 5.264 -2.540
97 HB2 MET 13 2HB MET 13 -5.682 6.439 -3.779
98 HB3 MET 13 1HB MET 13 -6.026 4.726 -3.585
99 HG2 MET 13 2HG MET 13 -7.585 5.203 -1.804
100 HG3 MET 13 1HG MET 13 -7.187 6.918 -1.882
101 HE1 MET 13 3HE MET 13 -10.851 5.609 -3.501
102 HE2 MET 13 1HE MET 13 -10.221 6.265 -1.990
103 HE3 MET 13 2HE MET 13 -9.804 4.623 -2.480
104 H LEU 14 H LEU 14 -3.027 7.277 -2.564
105 HA LEU 14 HA LEU 14 -3.422 8.903 -0.211
106 HB2 LEU 14 2HB LEU 14 -1.680 9.619 -2.552
107 HB3 LEU 14 1HB LEU 14 -1.498 10.089 -0.873
108 HG LEU 14 HG LEU 14 -1.263 7.205 -1.635
109 HD11 LEU 14 1HD1 LEU 14 1.316 7.977 -1.575
110 HD12 LEU 14 2HD1 LEU 14 0.584 9.383 -2.348
111 HD13 LEU 14 3HD1 LEU 14 0.383 7.783 -3.058
112 HD21 LEU 14 3HD2 LEU 14 -1.343 8.194 0.757
113 HD22 LEU 14 1HD2 LEU 14 0.314 8.692 0.424
114 HD23 LEU 14 2HD2 LEU 14 -0.121 6.984 0.366
115 H ARG 15 H ARG 15 -3.351 11.399 -0.667
116 HA ARG 15 HA ARG 15 -5.839 12.131 -1.707
117 HB2 ARG 15 2HB ARG 15 -4.000 13.367 -0.159
118 HB3 ARG 15 1HB ARG 15 -3.736 14.213 -1.679
119 HG2 ARG 15 2HG ARG 15 -5.328 15.557 -0.791
120 HG3 ARG 15 1HG ARG 15 -6.377 14.395 -1.606
121 HD2 ARG 15 2HD ARG 15 -6.260 13.107 0.647
122 HD3 ARG 15 1HD ARG 15 -5.739 14.659 1.305
123 HE ARG 15 HE ARG 15 -8.382 13.928 0.538
124 HH11 ARG 15 1HH1 ARG 15 -6.174 16.625 0.707
125 HH12 ARG 15 2HH1 ARG 15 -7.432 17.808 0.831
126 HH21 ARG 15 1HH2 ARG 15 -10.039 15.482 0.699
127 HH22 ARG 15 2HH2 ARG 15 -9.626 17.159 0.826
128 H SER 16 H SER 16 -2.703 11.890 -3.216
129 HA SER 16 HA SER 16 -3.320 13.402 -5.543
130 HB2 SER 16 2HB SER 16 -1.139 11.545 -4.713
131 HB3 SER 16 1HB SER 16 -1.337 11.860 -6.437
132 HG SER 16 HG SER 16 -1.152 14.091 -5.967
133 H GLY 17 H GLY 17 -3.643 10.013 -4.659
134 HA2 GLY 17 2HA GLY 17 -5.641 8.987 -5.819
135 HA3 GLY 17 1HA GLY 17 -4.853 9.497 -7.303
136 H GLN 18 H GLN 18 -2.180 8.828 -6.172
137 HA GLN 18 HA GLN 18 -1.907 6.255 -7.220
138 HB2 GLN 18 2HB GLN 18 -0.171 7.949 -5.448
139 HB3 GLN 18 1HB GLN 18 0.305 6.307 -5.862
140 HG2 GLN 18 2HG GLN 18 0.806 6.842 -7.992
141 HG3 GLN 18 1HG GLN 18 -0.496 8.024 -8.117
142 HE21 GLN 18 1HE2 GLN 18 2.429 8.081 -8.785
143 HE22 GLN 18 2HE2 GLN 18 3.023 9.505 -8.010
144 H CYS 19 H CYS 19 -1.672 4.227 -6.291
145 HA CYS 19 HA CYS 19 -2.910 3.954 -3.650
146 HB2 CYS 19 2HB CYS 19 -3.207 2.548 -6.083
147 HB3 CYS 19 1HB CYS 19 -2.454 1.431 -4.950
148 H VAL 20 H VAL 20 -1.501 3.911 -2.027
149 HA VAL 20 HA VAL 20 1.107 2.628 -2.419
150 HB VAL 20 HB VAL 20 0.202 4.287 -0.063
151 HG11 VAL 20 1HG1 VAL 20 2.859 3.211 -0.961
152 HG12 VAL 20 2HG1 VAL 20 2.044 2.980 0.586
153 HG13 VAL 20 3HG1 VAL 20 2.721 4.555 0.172
154 HG21 VAL 20 3HG2 VAL 20 1.677 6.051 -1.154
155 HG22 VAL 20 1HG2 VAL 20 0.099 5.767 -1.889
156 HG23 VAL 20 2HG2 VAL 20 1.551 5.089 -2.626
157 H ALA 21 H ALA 21 1.588 0.730 -1.518
158 HA ALA 21 HA ALA 21 -0.425 -0.601 0.098
159 HB1 ALA 21 1HB ALA 21 1.081 -1.543 -1.890
160 HB2 ALA 21 2HB ALA 21 0.479 -2.566 -0.586
161 HB3 ALA 21 3HB ALA 21 2.132 -1.953 -0.534
162 H THR 22 H THR 22 0.263 -1.871 2.015
163 HA THR 22 HA THR 22 1.907 -0.205 3.740
164 HB THR 22 HB THR 22 -0.298 -0.950 4.535
165 HG1 THR 22 1HG THR 22 1.808 -2.170 5.986
166 HG21 THR 22 3HG2 THR 22 0.848 -3.730 4.526
167 HG22 THR 22 1HG2 THR 22 -0.395 -3.135 3.426
168 HG23 THR 22 2HG2 THR 22 -0.723 -3.237 5.155
169 H THR 23 H THR 23 3.453 -1.434 1.848
170 HA THR 23 HA THR 23 4.939 -3.394 3.459
171 HB THR 23 HB THR 23 3.830 -4.610 1.674
172 HG1 THR 23 1HG THR 23 6.574 -4.220 1.081
173 HG21 THR 23 3HG2 THR 23 4.551 -2.322 0.069
174 HG22 THR 23 1HG2 THR 23 3.368 -3.593 -0.236
175 HG23 THR 23 2HG2 THR 23 5.059 -3.839 -0.674
176 H GLU 24 H GLU 24 5.893 -1.188 4.019
177 HA GLU 24 HA GLU 24 7.366 0.385 2.308
178 HB2 GLU 24 2HB GLU 24 7.168 0.004 5.131
179 HB3 GLU 24 1HB GLU 24 8.871 0.130 4.711
180 HG2 GLU 24 2HG GLU 24 7.937 2.184 3.288
181 HG3 GLU 24 1HG GLU 24 6.722 2.150 4.566
182 HA PRO 25 HA PRO 25 11.149 -1.420 0.943
183 HB2 PRO 25 2HB PRO 25 12.703 -0.032 3.081
184 HB3 PRO 25 1HB PRO 25 12.989 -0.085 1.337
185 HG2 PRO 25 2HG PRO 25 11.947 2.084 2.470
186 HG3 PRO 25 1HG PRO 25 11.372 1.519 0.890
187 HD2 PRO 25 2HD PRO 25 10.078 1.307 3.568
188 HD3 PRO 25 1HD PRO 25 9.339 1.527 1.968
189 HA PRO 26 HA PRO 26 12.574 -4.970 3.145
190 HB2 PRO 26 2HB PRO 26 15.307 -3.808 3.425
191 HB3 PRO 26 1HB PRO 26 14.813 -5.386 2.800
192 HG2 PRO 26 2HG PRO 26 15.564 -3.446 1.140
193 HG3 PRO 26 1HG PRO 26 14.222 -4.529 0.728
194 HD2 PRO 26 2HD PRO 26 14.159 -1.694 1.648
195 HD3 PRO 26 1HD PRO 26 13.084 -2.539 0.516
196 H PHE 27 H PHE 27 13.717 -5.714 5.202
197 HA PHE 27 HA PHE 27 13.141 -3.774 7.328
198 HB2 PHE 27 2HB PHE 27 12.832 -6.715 7.085
199 HB3 PHE 27 1HB PHE 27 13.296 -6.098 8.667
200 HD1 PHE 27 1HD PHE 27 10.732 -5.840 6.011
201 HD2 PHE 27 2HD PHE 27 11.719 -5.102 10.084
202 HE1 PHE 27 1HE PHE 27 8.381 -5.281 6.475
203 HE2 PHE 27 2HE PHE 27 9.369 -4.544 10.556
204 HZ PHE 27 HZ PHE 27 7.697 -4.632 8.750
205 H ASP 28 H ASP 28 14.465 -4.218 9.388
206 HA ASP 28 HA ASP 28 17.147 -3.646 8.877
207 HB2 ASP 28 2HB ASP 28 15.559 -4.353 11.293
208 HB3 ASP 28 1HB ASP 28 17.312 -4.481 11.414
209 HA PRO 29 HA PRO 29 18.999 -7.579 8.137
210 HB2 PRO 29 2HB PRO 29 21.517 -7.124 9.056
211 HB3 PRO 29 1HB PRO 29 20.912 -6.466 7.532
212 HG2 PRO 29 2HG PRO 29 21.159 -5.141 10.203
213 HG3 PRO 29 1HG PRO 29 21.530 -4.497 8.593
214 HD2 PRO 29 2HD PRO 29 19.242 -3.899 9.913
215 HD3 PRO 29 1HD PRO 29 19.324 -4.004 8.142
216 H ASP 30 H ASP 30 19.860 -6.184 11.288
217 HA ASP 30 HA ASP 30 20.285 -7.162 13.318
218 HB2 ASP 30 2HB ASP 30 18.398 -8.430 14.193
219 HB3 ASP 30 1HB ASP 30 17.821 -7.068 13.237
220 H SER 31 H SER 31 21.675 -8.434 11.127
221 HA SER 31 HA SER 31 23.019 -10.233 10.774
222 HB2 SER 31 2HB SER 31 22.337 -10.434 13.637
223 HB3 SER 31 1HB SER 31 22.882 -11.938 12.894
224 HG SER 31 HG SER 31 24.282 -9.496 12.597
225 H TYR 32 H TYR 32 20.623 -11.895 12.780
226 HA TYR 32 HA TYR 32 19.351 -13.081 10.465
227 HB2 TYR 32 2HB TYR 32 19.779 -15.415 11.312
228 HB3 TYR 32 1HB TYR 32 21.190 -14.597 10.648
229 HD1 TYR 32 2HD TYR 32 19.486 -15.313 13.884
230 HD2 TYR 32 1HD TYR 32 23.155 -14.491 11.893
231 HE1 TYR 32 2HE TYR 32 20.710 -15.748 15.972
232 HE2 TYR 32 1HE TYR 32 24.389 -14.926 13.974
233 HH TYR 32 HH TYR 32 23.896 -14.868 16.454
Start of MODEL 14
1 H1 SER 1 1HT SER 1 -20.022 2.715 -5.259
2 H2 SER 1 2HT SER 1 -19.789 4.408 -5.406
3 H3 SER 1 3HT SER 1 -18.532 3.417 -4.787
4 HA SER 1 HA SER 1 -19.644 3.204 -7.501
5 HB2 SER 1 2HB SER 1 -18.310 5.360 -6.634
6 HB3 SER 1 1HB SER 1 -16.930 4.309 -6.956
7 HG SER 1 HG SER 1 -18.858 5.316 -8.737
8 H VAL 2 H VAL 2 -18.808 1.557 -8.673
9 HA VAL 2 HA VAL 2 -17.413 -0.522 -7.290
10 HB VAL 2 HB VAL 2 -17.945 -0.351 -10.256
11 HG11 VAL 2 1HG1 VAL 2 -17.973 -2.911 -8.780
12 HG12 VAL 2 2HG1 VAL 2 -16.404 -2.134 -8.986
13 HG13 VAL 2 3HG1 VAL 2 -17.379 -2.538 -10.397
14 HG21 VAL 2 3HG2 VAL 2 -19.720 -1.479 -8.092
15 HG22 VAL 2 1HG2 VAL 2 -20.021 -1.556 -9.828
16 HG23 VAL 2 2HG2 VAL 2 -20.020 0.002 -9.001
17 H GLN 3 H GLN 3 -15.290 -0.655 -7.017
18 HA GLN 3 HA GLN 3 -13.511 0.998 -8.608
19 HB2 GLN 3 2HB GLN 3 -13.479 0.431 -5.992
20 HB3 GLN 3 1HB GLN 3 -12.446 -0.874 -6.560
21 HG2 GLN 3 2HG GLN 3 -10.869 0.638 -7.458
22 HG3 GLN 3 1HG GLN 3 -11.966 2.004 -7.264
23 HE21 GLN 3 1HE2 GLN 3 -9.617 0.005 -5.782
24 HE22 GLN 3 2HE2 GLN 3 -9.573 0.803 -4.251
25 H ILE 4 H ILE 4 -11.379 -0.022 -9.283
26 HA ILE 4 HA ILE 4 -11.992 -2.423 -10.827
27 HB ILE 4 HB ILE 4 -11.053 -0.495 -12.025
28 HG12 ILE 4 2HG1 ILE 4 -8.876 -2.553 -12.045
29 HG13 ILE 4 1HG1 ILE 4 -10.509 -3.026 -12.509
30 HG21 ILE 4 1HG2 ILE 4 -9.710 0.555 -10.382
31 HG22 ILE 4 2HG2 ILE 4 -8.616 0.023 -11.658
32 HG23 ILE 4 3HG2 ILE 4 -8.729 -0.894 -10.157
33 HD11 ILE 4 3HD1 ILE 4 -9.418 -2.494 -14.506
34 HD12 ILE 4 1HD1 ILE 4 -8.697 -1.036 -13.826
35 HD13 ILE 4 2HD1 ILE 4 -10.429 -1.093 -14.153
36 H LEU 5 H LEU 5 -10.025 -1.351 -8.174
37 HA LEU 5 HA LEU 5 -9.343 -4.036 -7.481
38 HB2 LEU 5 2HB LEU 5 -7.422 -2.388 -8.957
39 HB3 LEU 5 1HB LEU 5 -6.783 -3.043 -7.461
40 HG LEU 5 HG LEU 5 -8.194 -4.923 -9.281
41 HD11 LEU 5 1HD1 LEU 5 -5.696 -3.471 -9.945
42 HD12 LEU 5 2HD1 LEU 5 -6.945 -4.127 -11.005
43 HD13 LEU 5 3HD1 LEU 5 -5.752 -5.203 -10.277
44 HD21 LEU 5 3HD2 LEU 5 -5.751 -5.092 -7.524
45 HD22 LEU 5 1HD2 LEU 5 -6.411 -6.425 -8.472
46 HD23 LEU 5 2HD2 LEU 5 -7.357 -5.720 -7.161
47 H ARG 6 H ARG 6 -10.226 -3.621 -5.497
48 HA ARG 6 HA ARG 6 -9.955 -1.368 -3.928
49 HB2 ARG 6 2HB ARG 6 -10.600 -4.209 -3.427
50 HB3 ARG 6 1HB ARG 6 -10.078 -3.288 -2.024
51 HG2 ARG 6 2HG ARG 6 -11.869 -1.571 -3.050
52 HG3 ARG 6 1HG ARG 6 -12.558 -3.100 -3.601
53 HD2 ARG 6 2HD ARG 6 -12.386 -3.927 -1.245
54 HD3 ARG 6 1HD ARG 6 -11.917 -2.296 -0.769
55 HE ARG 6 HE ARG 6 -14.259 -1.957 -2.123
56 HH11 ARG 6 1HH1 ARG 6 -13.272 -3.877 0.619
57 HH12 ARG 6 2HH1 ARG 6 -14.835 -3.841 1.364
58 HH21 ARG 6 1HH2 ARG 6 -16.315 -1.908 -1.143
59 HH22 ARG 6 2HH2 ARG 6 -16.562 -2.725 0.364
60 H CYS 7 H CYS 7 -8.810 -1.432 -1.686
61 HA CYS 7 HA CYS 7 -6.028 -2.319 -2.066
62 HB2 CYS 7 2HB CYS 7 -7.069 0.333 -1.099
63 HB3 CYS 7 1HB CYS 7 -5.454 -0.223 -0.676
64 HA PRO 8 HA PRO 8 -7.860 -4.195 1.815
65 HB2 PRO 8 2HB PRO 8 -5.802 -6.193 1.028
66 HB3 PRO 8 1HB PRO 8 -7.462 -6.444 1.580
67 HG2 PRO 8 2HG PRO 8 -6.823 -6.752 -0.986
68 HG3 PRO 8 1HG PRO 8 -8.364 -6.013 -0.513
69 HD2 PRO 8 2HD PRO 8 -5.874 -4.719 -1.538
70 HD3 PRO 8 1HD PRO 8 -7.571 -4.313 -1.862
71 H ASP 9 H ASP 9 -6.382 -5.336 3.596
72 HA ASP 9 HA ASP 9 -4.763 -3.361 4.700
73 HB2 ASP 9 2HB ASP 9 -5.280 -6.231 5.269
74 HB3 ASP 9 1HB ASP 9 -3.836 -5.528 5.990
75 H GLY 10 H GLY 10 -2.916 -2.605 3.912
76 HA2 GLY 10 2HA GLY 10 -0.489 -3.451 3.831
77 HA3 GLY 10 1HA GLY 10 -1.098 -4.470 2.536
78 H MET 11 H MET 11 -2.926 -2.314 1.612
79 HA MET 11 HA MET 11 -0.943 -0.447 0.492
80 HB2 MET 11 2HB MET 11 -2.347 -0.571 -1.648
81 HB3 MET 11 1HB MET 11 -1.284 -1.928 -1.299
82 HG2 MET 11 2HG MET 11 -3.346 -3.004 -0.218
83 HG3 MET 11 1HG MET 11 -4.264 -1.772 -1.082
84 HE1 MET 11 3HE MET 11 -2.472 -5.518 -2.000
85 HE2 MET 11 1HE MET 11 -4.198 -5.559 -2.362
86 HE3 MET 11 2HE MET 11 -3.637 -4.932 -0.812
87 H GLN 12 H GLN 12 -1.580 1.647 0.299
88 HA GLN 12 HA GLN 12 -4.380 2.287 0.926
89 HB2 GLN 12 2HB GLN 12 -3.016 2.592 2.954
90 HB3 GLN 12 1HB GLN 12 -1.955 3.684 2.074
91 HG2 GLN 12 2HG GLN 12 -4.139 5.023 1.635
92 HG3 GLN 12 1HG GLN 12 -4.753 4.111 3.014
93 HE21 GLN 12 1HE2 GLN 12 -2.173 6.266 1.966
94 HE22 GLN 12 2HE2 GLN 12 -1.868 6.954 3.521
95 H MET 13 H MET 13 -5.248 4.019 -0.146
96 HA MET 13 HA MET 13 -3.883 4.864 -2.526
97 HB2 MET 13 2HB MET 13 -6.328 4.414 -2.449
98 HB3 MET 13 1HB MET 13 -6.525 5.815 -1.405
99 HG2 MET 13 2HG MET 13 -6.214 7.298 -3.095
100 HG3 MET 13 1HG MET 13 -5.149 6.221 -3.996
101 HE1 MET 13 3HE MET 13 -8.239 7.756 -3.378
102 HE2 MET 13 1HE MET 13 -9.413 6.444 -3.314
103 HE3 MET 13 2HE MET 13 -9.207 7.371 -4.800
104 H LEU 14 H LEU 14 -3.023 6.835 -3.005
105 HA LEU 14 HA LEU 14 -2.599 8.637 -0.735
106 HB2 LEU 14 2HB LEU 14 -1.210 8.676 -3.410
107 HB3 LEU 14 1HB LEU 14 -0.724 9.516 -1.951
108 HG LEU 14 HG LEU 14 -0.747 6.514 -2.271
109 HD11 LEU 14 1HD1 LEU 14 1.483 6.552 -2.780
110 HD12 LEU 14 2HD1 LEU 14 1.741 8.127 -2.030
111 HD13 LEU 14 3HD1 LEU 14 0.946 8.018 -3.599
112 HD21 LEU 14 3HD2 LEU 14 -0.846 6.706 -0.017
113 HD22 LEU 14 1HD2 LEU 14 -0.225 8.355 -0.018
114 HD23 LEU 14 2HD2 LEU 14 0.883 6.997 -0.207
115 H ARG 15 H ARG 15 -2.278 11.027 -1.522
116 HA ARG 15 HA ARG 15 -4.790 12.014 -2.248
117 HB2 ARG 15 2HB ARG 15 -2.077 13.342 -2.339
118 HB3 ARG 15 1HB ARG 15 -3.599 14.197 -2.556
119 HG2 ARG 15 2HG ARG 15 -4.086 14.162 -0.361
120 HG3 ARG 15 1HG ARG 15 -3.408 12.551 -0.125
121 HD2 ARG 15 2HD ARG 15 -1.740 15.024 -0.543
122 HD3 ARG 15 1HD ARG 15 -2.186 14.404 1.047
123 HE ARG 15 HE ARG 15 -0.961 12.392 -0.546
124 HH11 ARG 15 1HH1 ARG 15 -0.257 15.209 1.391
125 HH12 ARG 15 2HH1 ARG 15 1.347 14.691 1.787
126 HH21 ARG 15 1HH2 ARG 15 1.149 11.709 -0.025
127 HH22 ARG 15 2HH2 ARG 15 2.146 12.703 0.982
128 H SER 16 H SER 16 -2.017 11.149 -4.185
129 HA SER 16 HA SER 16 -2.849 12.459 -6.572
130 HB2 SER 16 2HB SER 16 -0.759 10.488 -5.817
131 HB3 SER 16 1HB SER 16 -1.242 10.515 -7.514
132 HG SER 16 HG SER 16 -0.846 12.828 -7.422
133 H GLY 17 H GLY 17 -3.409 9.278 -5.186
134 HA2 GLY 17 2HA GLY 17 -5.686 8.415 -5.884
135 HA3 GLY 17 1HA GLY 17 -5.086 8.610 -7.524
136 H GLN 18 H GLN 18 -2.390 7.702 -6.829
137 HA GLN 18 HA GLN 18 -2.715 4.956 -7.358
138 HB2 GLN 18 2HB GLN 18 -0.402 6.710 -6.654
139 HB3 GLN 18 1HB GLN 18 -0.186 4.965 -6.606
140 HG2 GLN 18 2HG GLN 18 0.261 5.061 -8.769
141 HG3 GLN 18 1HG GLN 18 -1.444 5.425 -9.029
142 HE21 GLN 18 1HE2 GLN 18 1.652 6.964 -8.294
143 HE22 GLN 18 2HE2 GLN 18 1.336 8.422 -9.165
144 H CYS 19 H CYS 19 -1.840 3.173 -6.028
145 HA CYS 19 HA CYS 19 -2.414 3.610 -3.171
146 HB2 CYS 19 2HB CYS 19 -3.924 2.077 -4.731
147 HB3 CYS 19 1HB CYS 19 -2.669 0.894 -4.379
148 H VAL 20 H VAL 20 -0.479 3.752 -2.204
149 HA VAL 20 HA VAL 20 1.647 1.891 -2.986
150 HB VAL 20 HB VAL 20 2.248 4.271 -2.905
151 HG11 VAL 20 1HG1 VAL 20 0.752 5.084 -1.220
152 HG12 VAL 20 2HG1 VAL 20 2.406 5.390 -0.686
153 HG13 VAL 20 3HG1 VAL 20 1.490 4.049 0.002
154 HG21 VAL 20 3HG2 VAL 20 3.909 2.488 -2.392
155 HG22 VAL 20 1HG2 VAL 20 3.593 2.750 -0.677
156 HG23 VAL 20 2HG2 VAL 20 4.283 4.046 -1.656
157 H ALA 21 H ALA 21 2.905 0.833 -1.306
158 HA ALA 21 HA ALA 21 1.254 -0.478 0.594
159 HB1 ALA 21 1HB ALA 21 2.992 -1.789 -0.223
160 HB2 ALA 21 2HB ALA 21 3.533 -1.371 1.404
161 HB3 ALA 21 3HB ALA 21 4.192 -0.516 0.010
162 H THR 22 H THR 22 0.983 -0.164 2.743
163 HA THR 22 HA THR 22 1.989 2.330 3.851
164 HB THR 22 HB THR 22 0.456 1.407 5.826
165 HG1 THR 22 1HG THR 22 -0.758 0.221 3.567
166 HG21 THR 22 3HG2 THR 22 -1.568 2.248 4.304
167 HG22 THR 22 1HG2 THR 22 -0.216 2.879 3.364
168 HG23 THR 22 2HG2 THR 22 -0.403 3.340 5.056
169 H THR 23 H THR 23 4.055 0.591 3.534
170 HA THR 23 HA THR 23 4.981 0.299 6.236
171 HB THR 23 HB THR 23 3.746 -1.811 5.950
172 HG1 THR 23 1HG THR 23 5.507 -3.186 6.454
173 HG21 THR 23 3HG2 THR 23 5.297 -3.368 4.308
174 HG22 THR 23 1HG2 THR 23 5.115 -1.870 3.394
175 HG23 THR 23 2HG2 THR 23 3.686 -2.749 3.942
176 H GLU 24 H GLU 24 5.858 1.917 4.184
177 HA GLU 24 HA GLU 24 8.099 0.694 2.850
178 HB2 GLU 24 2HB GLU 24 6.675 3.231 2.730
179 HB3 GLU 24 1HB GLU 24 8.418 3.446 2.642
180 HG2 GLU 24 2HG GLU 24 8.600 2.234 0.676
181 HG3 GLU 24 1HG GLU 24 7.052 1.426 0.916
182 HA PRO 25 HA PRO 25 10.489 3.629 5.977
183 HB2 PRO 25 2HB PRO 25 8.509 3.675 8.181
184 HB3 PRO 25 1HB PRO 25 9.547 4.965 7.572
185 HG2 PRO 25 2HG PRO 25 6.920 4.943 7.065
186 HG3 PRO 25 1HG PRO 25 8.091 5.518 5.864
187 HD2 PRO 25 2HD PRO 25 6.618 2.921 5.990
188 HD3 PRO 25 1HD PRO 25 7.047 3.909 4.580
189 HA PRO 26 HA PRO 26 10.242 0.163 9.252
190 HB2 PRO 26 2HB PRO 26 8.055 -1.347 9.524
191 HB3 PRO 26 1HB PRO 26 8.133 0.280 10.213
192 HG2 PRO 26 2HG PRO 26 6.799 -0.658 7.707
193 HG3 PRO 26 1HG PRO 26 6.223 0.505 8.914
194 HD2 PRO 26 2HD PRO 26 7.408 1.180 6.509
195 HD3 PRO 26 1HD PRO 26 7.330 2.237 7.930
196 H PHE 27 H PHE 27 9.679 -2.454 9.277
197 HA PHE 27 HA PHE 27 10.229 -4.449 8.338
198 HB2 PHE 27 2HB PHE 27 8.195 -4.070 7.040
199 HB3 PHE 27 1HB PHE 27 9.103 -3.132 5.860
200 HD1 PHE 27 2HD PHE 27 8.963 -6.518 7.396
201 HD2 PHE 27 1HD PHE 27 9.950 -4.177 3.981
202 HE1 PHE 27 2HE PHE 27 9.410 -8.575 6.120
203 HE2 PHE 27 1HE PHE 27 10.398 -6.230 2.699
204 HZ PHE 27 HZ PHE 27 10.130 -8.432 3.769
205 H ASP 28 H ASP 28 12.351 -4.807 8.315
206 HA ASP 28 HA ASP 28 13.943 -3.590 6.153
207 HB2 ASP 28 2HB ASP 28 14.390 -3.706 9.022
208 HB3 ASP 28 1HB ASP 28 15.740 -4.397 8.128
209 HA PRO 29 HA PRO 29 15.473 -7.418 4.600
210 HB2 PRO 29 2HB PRO 29 18.143 -6.967 5.847
211 HB3 PRO 29 1HB PRO 29 17.733 -7.338 4.169
212 HG2 PRO 29 2HG PRO 29 18.437 -4.872 4.877
213 HG3 PRO 29 1HG PRO 29 17.150 -5.145 3.687
214 HD2 PRO 29 2HD PRO 29 16.944 -4.336 6.553
215 HD3 PRO 29 1HD PRO 29 15.948 -3.848 5.167
216 H ASP 30 H ASP 30 16.935 -9.428 5.328
217 HA ASP 30 HA ASP 30 16.072 -10.104 8.055
218 HB2 ASP 30 2HB ASP 30 16.445 -12.537 6.993
219 HB3 ASP 30 1HB ASP 30 14.912 -11.678 6.881
220 H SER 31 H SER 31 18.350 -11.719 5.880
221 HA SER 31 HA SER 31 20.529 -12.320 6.117
222 HB2 SER 31 2HB SER 31 20.375 -9.726 7.539
223 HB3 SER 31 1HB SER 31 21.776 -10.729 7.913
224 HG SER 31 HG SER 31 22.465 -9.709 6.164
225 H TYR 32 H TYR 32 20.107 -11.126 9.420
226 HA TYR 32 HA TYR 32 21.220 -13.420 10.604
227 HB2 TYR 32 2HB TYR 32 20.995 -11.076 11.601
228 HB3 TYR 32 1HB TYR 32 19.339 -11.521 12.000
229 HD1 TYR 32 2HD TYR 32 22.471 -13.538 12.179
230 HD2 TYR 32 1HD TYR 32 19.278 -11.709 14.316
231 HE1 TYR 32 2HE TYR 32 23.262 -14.595 14.254
232 HE2 TYR 32 1HE TYR 32 20.061 -12.760 16.396
233 HH TYR 32 HH TYR 32 21.394 -14.603 17.141
Start of MODEL 15
1 H1 SER 1 1HT SER 1 -17.187 -6.018 -4.160
2 H2 SER 1 2HT SER 1 -17.189 -7.211 -5.393
3 H3 SER 1 3HT SER 1 -18.664 -6.734 -4.653
4 HA SER 1 HA SER 1 -18.681 -5.661 -6.652
5 HB2 SER 1 2HB SER 1 -18.746 -4.297 -4.333
6 HB3 SER 1 1HB SER 1 -17.392 -3.472 -5.105
7 HG SER 1 HG SER 1 -19.912 -3.011 -5.514
8 H VAL 2 H VAL 2 -17.665 -4.887 -8.459
9 HA VAL 2 HA VAL 2 -14.886 -5.480 -8.745
10 HB VAL 2 HB VAL 2 -16.455 -5.814 -10.598
11 HG11 VAL 2 1HG1 VAL 2 -17.738 -4.199 -11.549
12 HG12 VAL 2 2HG1 VAL 2 -16.575 -2.916 -11.206
13 HG13 VAL 2 3HG1 VAL 2 -17.623 -3.522 -9.923
14 HG21 VAL 2 3HG2 VAL 2 -14.527 -3.674 -11.445
15 HG22 VAL 2 1HG2 VAL 2 -15.027 -5.122 -12.319
16 HG23 VAL 2 2HG2 VAL 2 -13.975 -5.262 -10.911
17 H GLN 3 H GLN 3 -14.464 -3.882 -6.867
18 HA GLN 3 HA GLN 3 -14.438 -1.092 -7.508
19 HB2 GLN 3 2HB GLN 3 -13.051 -0.919 -5.416
20 HB3 GLN 3 1HB GLN 3 -14.624 -1.675 -5.204
21 HG2 GLN 3 2HG GLN 3 -13.712 -3.539 -4.436
22 HG3 GLN 3 1HG GLN 3 -12.611 -3.643 -5.809
23 HE21 GLN 3 1HE2 GLN 3 -10.564 -3.665 -5.260
24 HE22 GLN 3 2HE2 GLN 3 -9.860 -2.883 -3.889
25 H ILE 4 H ILE 4 -13.142 -0.343 -9.058
26 HA ILE 4 HA ILE 4 -10.391 -1.380 -9.204
27 HB ILE 4 HB ILE 4 -10.633 -0.108 -11.559
28 HG12 ILE 4 2HG1 ILE 4 -12.861 -0.745 -12.523
29 HG13 ILE 4 1HG1 ILE 4 -13.406 -1.110 -10.889
30 HG21 ILE 4 1HG2 ILE 4 -11.524 -2.521 -12.319
31 HG22 ILE 4 2HG2 ILE 4 -11.025 -2.889 -10.668
32 HG23 ILE 4 3HG2 ILE 4 -9.864 -2.212 -11.810
33 HD11 ILE 4 3HD1 ILE 4 -12.308 1.488 -10.845
34 HD12 ILE 4 1HD1 ILE 4 -13.990 1.002 -10.638
35 HD13 ILE 4 2HD1 ILE 4 -13.373 1.381 -12.246
36 H LEU 5 H LEU 5 -11.273 0.679 -7.384
37 HA LEU 5 HA LEU 5 -9.478 2.809 -8.269
38 HB2 LEU 5 2HB LEU 5 -12.085 3.456 -6.919
39 HB3 LEU 5 1HB LEU 5 -10.958 4.562 -7.683
40 HG LEU 5 HG LEU 5 -11.607 3.037 -9.811
41 HD11 LEU 5 1HD1 LEU 5 -13.180 1.626 -8.739
42 HD12 LEU 5 2HD1 LEU 5 -14.107 2.770 -9.709
43 HD13 LEU 5 3HD1 LEU 5 -13.980 2.991 -7.964
44 HD21 LEU 5 3HD2 LEU 5 -12.563 4.928 -10.605
45 HD22 LEU 5 1HD2 LEU 5 -11.866 5.616 -9.138
46 HD23 LEU 5 2HD2 LEU 5 -13.569 5.154 -9.173
47 H ARG 6 H ARG 6 -11.405 1.515 -5.595
48 HA ARG 6 HA ARG 6 -9.990 2.802 -3.528
49 HB2 ARG 6 2HB ARG 6 -11.902 0.536 -3.716
50 HB3 ARG 6 1HB ARG 6 -10.926 0.633 -2.257
51 HG2 ARG 6 2HG ARG 6 -12.105 3.188 -2.995
52 HG3 ARG 6 1HG ARG 6 -13.307 1.928 -2.708
53 HD2 ARG 6 2HD ARG 6 -11.638 1.520 -0.618
54 HD3 ARG 6 1HD ARG 6 -11.470 3.261 -0.833
55 HE ARG 6 HE ARG 6 -13.776 1.847 0.138
56 HH11 ARG 6 1HH1 ARG 6 -12.653 4.772 -1.397
57 HH12 ARG 6 2HH1 ARG 6 -14.010 5.714 -0.879
58 HH21 ARG 6 1HH2 ARG 6 -15.563 3.084 0.820
59 HH22 ARG 6 2HH2 ARG 6 -15.661 4.756 0.381
60 H CYS 7 H CYS 7 -8.465 1.946 -2.039
61 HA CYS 7 HA CYS 7 -6.838 -0.257 -3.126
62 HB2 CYS 7 2HB CYS 7 -5.834 2.153 -1.598
63 HB3 CYS 7 1HB CYS 7 -4.848 0.862 -2.278
64 HA PRO 8 HA PRO 8 -8.457 -1.584 1.022
65 HB2 PRO 8 2HB PRO 8 -7.820 -4.188 -0.259
66 HB3 PRO 8 1HB PRO 8 -9.266 -3.694 0.629
67 HG2 PRO 8 2HG PRO 8 -9.310 -3.936 -2.025
68 HG3 PRO 8 1HG PRO 8 -10.193 -2.631 -1.211
69 HD2 PRO 8 2HD PRO 8 -7.601 -2.528 -2.698
70 HD3 PRO 8 1HD PRO 8 -8.924 -1.345 -2.653
71 H ASP 9 H ASP 9 -7.340 -3.894 2.045
72 HA ASP 9 HA ASP 9 -4.951 -3.019 3.150
73 HB2 ASP 9 2HB ASP 9 -4.658 -5.324 3.956
74 HB3 ASP 9 1HB ASP 9 -6.322 -4.783 4.157
75 H GLY 10 H GLY 10 -2.911 -2.947 2.467
76 HA2 GLY 10 2HA GLY 10 -1.054 -4.177 1.416
77 HA3 GLY 10 1HA GLY 10 -2.174 -4.596 0.127
78 H MET 11 H MET 11 -3.331 -1.851 0.172
79 HA MET 11 HA MET 11 -1.075 -0.323 -0.925
80 HB2 MET 11 2HB MET 11 -3.736 -0.803 -2.270
81 HB3 MET 11 1HB MET 11 -2.587 0.424 -2.786
82 HG2 MET 11 2HG MET 11 -0.942 -1.622 -2.864
83 HG3 MET 11 1HG MET 11 -2.442 -2.533 -3.020
84 HE1 MET 11 3HE MET 11 -2.589 -2.695 -6.671
85 HE2 MET 11 1HE MET 11 -3.068 -3.310 -5.089
86 HE3 MET 11 2HE MET 11 -1.374 -3.363 -5.580
87 H GLN 12 H GLN 12 -0.957 1.317 0.484
88 HA GLN 12 HA GLN 12 -3.403 2.556 1.484
89 HB2 GLN 12 2HB GLN 12 -0.611 2.378 2.378
90 HB3 GLN 12 1HB GLN 12 -1.333 3.965 2.605
91 HG2 GLN 12 2HG GLN 12 -1.575 2.560 4.583
92 HG3 GLN 12 1HG GLN 12 -3.139 2.993 3.891
93 HE21 GLN 12 1HE2 GLN 12 -2.080 0.689 5.562
94 HE22 GLN 12 2HE2 GLN 12 -2.666 -0.717 4.747
95 H MET 13 H MET 13 -4.219 4.354 0.648
96 HA MET 13 HA MET 13 -3.060 5.632 -1.594
97 HB2 MET 13 2HB MET 13 -5.411 6.228 0.174
98 HB3 MET 13 1HB MET 13 -4.903 7.385 -1.048
99 HG2 MET 13 2HG MET 13 -5.219 5.727 -2.787
100 HG3 MET 13 1HG MET 13 -5.657 4.520 -1.579
101 HE1 MET 13 3HE MET 13 -7.737 8.400 -2.417
102 HE2 MET 13 1HE MET 13 -7.717 7.421 -3.885
103 HE3 MET 13 2HE MET 13 -6.206 7.809 -3.062
104 H LEU 14 H LEU 14 -2.459 7.891 -1.771
105 HA LEU 14 HA LEU 14 -1.276 8.958 0.708
106 HB2 LEU 14 2HB LEU 14 -0.090 9.447 -2.002
107 HB3 LEU 14 1HB LEU 14 0.662 9.620 -0.429
108 HG LEU 14 HG LEU 14 -0.151 6.935 -1.520
109 HD11 LEU 14 1HD1 LEU 14 1.647 8.489 -2.804
110 HD12 LEU 14 2HD1 LEU 14 1.725 6.729 -2.742
111 HD13 LEU 14 3HD1 LEU 14 2.688 7.694 -1.623
112 HD21 LEU 14 3HD2 LEU 14 1.542 7.923 0.745
113 HD22 LEU 14 1HD2 LEU 14 1.798 6.320 0.055
114 HD23 LEU 14 2HD2 LEU 14 0.237 6.736 0.761
115 H ARG 15 H ARG 15 -0.545 11.383 0.156
116 HA ARG 15 HA ARG 15 -2.908 12.875 -0.020
117 HB2 ARG 15 2HB ARG 15 -0.526 13.460 0.937
118 HB3 ARG 15 1HB ARG 15 -0.268 14.122 -0.671
119 HG2 ARG 15 2HG ARG 15 -1.032 15.974 0.414
120 HG3 ARG 15 1HG ARG 15 -2.555 15.322 -0.191
121 HD2 ARG 15 2HD ARG 15 -1.583 14.440 2.481
122 HD3 ARG 15 1HD ARG 15 -2.273 16.054 2.327
123 HE ARG 15 HE ARG 15 -4.043 14.307 1.105
124 HH11 ARG 15 1HH1 ARG 15 -2.740 14.833 4.299
125 HH12 ARG 15 2HH1 ARG 15 -4.148 14.231 5.109
126 HH21 ARG 15 1HH2 ARG 15 -5.895 13.514 2.166
127 HH22 ARG 15 2HH2 ARG 15 -5.939 13.481 3.898
128 H SER 16 H SER 16 -0.585 11.913 -2.451
129 HA SER 16 HA SER 16 -1.464 13.689 -4.487
130 HB2 SER 16 2HB SER 16 -0.302 11.090 -5.300
131 HB3 SER 16 1HB SER 16 0.147 12.726 -5.778
132 HG SER 16 HG SER 16 1.267 11.153 -3.924
133 H GLY 17 H GLY 17 -2.473 10.512 -3.417
134 HA2 GLY 17 2HA GLY 17 -4.910 10.120 -3.885
135 HA3 GLY 17 1HA GLY 17 -4.517 10.501 -5.554
136 H GLN 18 H GLN 18 -1.964 9.082 -5.474
137 HA GLN 18 HA GLN 18 -2.962 6.471 -6.129
138 HB2 GLN 18 2HB GLN 18 -0.163 7.609 -6.074
139 HB3 GLN 18 1HB GLN 18 -0.550 5.984 -6.624
140 HG2 GLN 18 2HG GLN 18 -1.312 6.698 -8.602
141 HG3 GLN 18 1HG GLN 18 -2.125 8.096 -7.898
142 HE21 GLN 18 1HE2 GLN 18 -0.419 7.814 -10.295
143 HE22 GLN 18 2HE2 GLN 18 0.844 8.975 -10.100
144 H CYS 19 H CYS 19 -2.203 4.477 -5.220
145 HA CYS 19 HA CYS 19 -1.472 4.731 -2.377
146 HB2 CYS 19 2HB CYS 19 -2.580 2.435 -2.183
147 HB3 CYS 19 1HB CYS 19 -3.646 3.813 -2.442
148 H VAL 20 H VAL 20 0.331 3.765 -1.684
149 HA VAL 20 HA VAL 20 1.851 2.169 -3.617
150 HB VAL 20 HB VAL 20 2.826 3.367 -1.021
151 HG11 VAL 20 1HG1 VAL 20 4.226 2.084 -3.355
152 HG12 VAL 20 2HG1 VAL 20 4.241 1.577 -1.666
153 HG13 VAL 20 3HG1 VAL 20 5.058 3.063 -2.149
154 HG21 VAL 20 3HG2 VAL 20 2.027 4.808 -3.191
155 HG22 VAL 20 1HG2 VAL 20 3.737 4.554 -3.541
156 HG23 VAL 20 2HG2 VAL 20 3.250 5.326 -2.031
157 H ALA 21 H ALA 21 3.027 0.281 -2.861
158 HA ALA 21 HA ALA 21 1.378 -1.523 -1.456
159 HB1 ALA 21 1HB ALA 21 3.425 -1.823 -3.171
160 HB2 ALA 21 2HB ALA 21 2.839 -3.113 -2.120
161 HB3 ALA 21 3HB ALA 21 4.251 -2.165 -1.650
162 H THR 22 H THR 22 0.927 -1.200 0.641
163 HA THR 22 HA THR 22 2.999 -0.301 2.473
164 HB THR 22 HB THR 22 0.767 0.707 2.619
165 HG1 THR 22 1HG THR 22 0.544 0.476 4.843
166 HG21 THR 22 3HG2 THR 22 -0.742 -1.193 3.974
167 HG22 THR 22 1HG2 THR 22 -0.127 -2.023 2.546
168 HG23 THR 22 2HG2 THR 22 -1.048 -0.529 2.371
169 H THR 23 H THR 23 3.411 -2.880 1.367
170 HA THR 23 HA THR 23 3.732 -4.381 3.792
171 HB THR 23 HB THR 23 2.163 -5.763 1.631
172 HG1 THR 23 1HG THR 23 1.075 -4.428 3.884
173 HG21 THR 23 3HG2 THR 23 3.346 -6.726 3.903
174 HG22 THR 23 1HG2 THR 23 2.028 -7.494 3.016
175 HG23 THR 23 2HG2 THR 23 1.675 -6.467 4.406
176 H GLU 24 H GLU 24 5.880 -3.771 2.851
177 HA GLU 24 HA GLU 24 6.716 -5.506 0.651
178 HB2 GLU 24 2HB GLU 24 7.719 -2.963 1.808
179 HB3 GLU 24 1HB GLU 24 8.915 -4.058 1.130
180 HG2 GLU 24 2HG GLU 24 8.251 -3.692 -0.987
181 HG3 GLU 24 1HG GLU 24 6.550 -3.559 -0.547
182 HA PRO 25 HA PRO 25 8.130 -8.306 3.936
183 HB2 PRO 25 2HB PRO 25 9.254 -9.646 1.531
184 HB3 PRO 25 1HB PRO 25 8.302 -10.321 2.855
185 HG2 PRO 25 2HG PRO 25 7.208 -9.886 0.460
186 HG3 PRO 25 1HG PRO 25 6.293 -9.615 1.953
187 HD2 PRO 25 2HD PRO 25 7.536 -7.633 0.104
188 HD3 PRO 25 1HD PRO 25 6.039 -7.516 1.048
189 HA PRO 26 HA PRO 26 12.705 -7.811 2.584
190 HB2 PRO 26 2HB PRO 26 13.322 -6.488 0.328
191 HB3 PRO 26 1HB PRO 26 12.873 -8.198 0.311
192 HG2 PRO 26 2HG PRO 26 11.215 -5.798 -0.350
193 HG3 PRO 26 1HG PRO 26 11.302 -7.362 -1.179
194 HD2 PRO 26 2HD PRO 26 9.322 -6.673 0.585
195 HD3 PRO 26 1HD PRO 26 9.822 -8.344 0.264
196 H PHE 27 H PHE 27 14.073 -6.274 3.393
197 HA PHE 27 HA PHE 27 13.862 -3.504 3.002
198 HB2 PHE 27 2HB PHE 27 11.794 -4.221 4.527
199 HB3 PHE 27 1HB PHE 27 13.009 -4.093 5.794
200 HD1 PHE 27 1HD PHE 27 11.890 -2.147 2.808
201 HD2 PHE 27 2HD PHE 27 13.136 -2.084 6.877
202 HE1 PHE 27 1HE PHE 27 11.564 0.291 2.866
203 HE2 PHE 27 2HE PHE 27 12.811 0.353 6.943
204 HZ PHE 27 HZ PHE 27 12.024 1.544 4.936
205 H ASP 28 H ASP 28 15.028 -2.331 4.990
206 HA ASP 28 HA ASP 28 17.334 -4.019 5.708
207 HB2 ASP 28 2HB ASP 28 17.173 -1.340 4.490
208 HB3 ASP 28 1HB ASP 28 18.336 -1.483 5.804
209 HA PRO 29 HA PRO 29 15.291 -2.294 9.567
210 HB2 PRO 29 2HB PRO 29 14.895 -4.665 10.813
211 HB3 PRO 29 1HB PRO 29 13.723 -3.977 9.683
212 HG2 PRO 29 2HG PRO 29 15.786 -6.095 9.216
213 HG3 PRO 29 1HG PRO 29 14.097 -6.041 8.679
214 HD2 PRO 29 2HD PRO 29 16.175 -5.409 7.053
215 HD3 PRO 29 1HD PRO 29 14.575 -4.654 6.903
216 H ASP 30 H ASP 30 15.906 -3.363 11.938
217 HA ASP 30 HA ASP 30 18.838 -3.599 11.918
218 HB2 ASP 30 2HB ASP 30 18.807 -2.429 14.120
219 HB3 ASP 30 1HB ASP 30 18.230 -1.430 12.790
220 H SER 31 H SER 31 16.852 -5.737 11.885
221 HA SER 31 HA SER 31 16.721 -6.847 14.528
222 HB2 SER 31 2HB SER 31 15.246 -7.246 12.298
223 HB3 SER 31 1HB SER 31 16.332 -8.632 12.193
224 HG SER 31 HG SER 31 14.400 -9.046 13.404
225 H TYR 32 H TYR 32 17.330 -9.478 14.263
226 HA TYR 32 HA TYR 32 20.192 -9.435 14.448
227 HB2 TYR 32 2HB TYR 32 18.280 -10.914 15.667
228 HB3 TYR 32 1HB TYR 32 18.799 -12.045 14.422
229 HD1 TYR 32 2HD TYR 32 20.226 -9.798 17.043
230 HD2 TYR 32 1HD TYR 32 20.600 -13.432 14.863
231 HE1 TYR 32 2HE TYR 32 22.158 -10.423 18.429
232 HE2 TYR 32 1HE TYR 32 22.533 -14.068 16.244
233 HH TYR 32 HH TYR 32 24.099 -11.866 18.341
Start of MODEL 16
1 H1 SER 1 1HT SER 1 -23.129 -2.169 -5.019
2 H2 SER 1 2HT SER 1 -22.137 -3.001 -6.146
3 H3 SER 1 3HT SER 1 -21.942 -1.312 -5.912
4 HA SER 1 HA SER 1 -21.041 -1.570 -3.834
5 HB2 SER 1 2HB SER 1 -20.967 -3.922 -2.820
6 HB3 SER 1 1HB SER 1 -22.542 -3.127 -2.852
7 HG SER 1 HG SER 1 -21.681 -4.880 -4.899
8 H VAL 2 H VAL 2 -20.089 -1.705 -6.535
9 HA VAL 2 HA VAL 2 -18.047 -3.763 -6.590
10 HB VAL 2 HB VAL 2 -18.405 -1.467 -8.517
11 HG11 VAL 2 1HG1 VAL 2 -16.861 -2.453 -9.848
12 HG12 VAL 2 2HG1 VAL 2 -17.304 -4.082 -9.343
13 HG13 VAL 2 3HG1 VAL 2 -16.284 -3.086 -8.306
14 HG21 VAL 2 3HG2 VAL 2 -20.417 -2.472 -8.853
15 HG22 VAL 2 1HG2 VAL 2 -19.869 -4.028 -8.230
16 HG23 VAL 2 2HG2 VAL 2 -19.428 -3.528 -9.862
17 H GLN 3 H GLN 3 -16.059 -3.535 -5.810
18 HA GLN 3 HA GLN 3 -15.222 -1.123 -4.553
19 HB2 GLN 3 2HB GLN 3 -14.534 -3.306 -3.704
20 HB3 GLN 3 1HB GLN 3 -13.673 -3.638 -5.200
21 HG2 GLN 3 2HG GLN 3 -11.961 -2.193 -4.696
22 HG3 GLN 3 1HG GLN 3 -12.956 -1.225 -3.610
23 HE21 GLN 3 1HE2 GLN 3 -12.008 -4.640 -3.860
24 HE22 GLN 3 2HE2 GLN 3 -11.511 -4.798 -2.212
25 H ILE 4 H ILE 4 -14.123 0.543 -5.350
26 HA ILE 4 HA ILE 4 -12.975 0.284 -8.048
27 HB ILE 4 HB ILE 4 -14.805 1.914 -7.879
28 HG12 ILE 4 2HG1 ILE 4 -12.309 3.544 -8.196
29 HG13 ILE 4 1HG1 ILE 4 -12.622 2.209 -9.301
30 HG21 ILE 4 1HG2 ILE 4 -13.021 3.236 -5.844
31 HG22 ILE 4 2HG2 ILE 4 -14.643 2.588 -5.592
32 HG23 ILE 4 3HG2 ILE 4 -14.410 4.018 -6.597
33 HD11 ILE 4 3HD1 ILE 4 -13.380 4.603 -9.920
34 HD12 ILE 4 1HD1 ILE 4 -14.724 4.270 -8.830
35 HD13 ILE 4 2HD1 ILE 4 -14.455 3.240 -10.235
36 H LEU 5 H LEU 5 -12.291 1.052 -4.744
37 HA LEU 5 HA LEU 5 -9.953 2.564 -5.044
38 HB2 LEU 5 2HB LEU 5 -11.404 1.764 -2.931
39 HB3 LEU 5 1HB LEU 5 -10.079 0.623 -2.811
40 HG LEU 5 HG LEU 5 -9.585 2.495 -1.404
41 HD11 LEU 5 1HD1 LEU 5 -7.876 3.125 -3.754
42 HD12 LEU 5 2HD1 LEU 5 -7.835 1.489 -3.096
43 HD13 LEU 5 3HD1 LEU 5 -7.431 2.864 -2.067
44 HD21 LEU 5 3HD2 LEU 5 -9.679 4.737 -2.034
45 HD22 LEU 5 1HD2 LEU 5 -11.121 4.036 -2.770
46 HD23 LEU 5 2HD2 LEU 5 -9.694 4.352 -3.755
47 H ARG 6 H ARG 6 -10.418 -0.936 -4.801
48 HA ARG 6 HA ARG 6 -9.067 -2.702 -5.279
49 HB2 ARG 6 2HB ARG 6 -9.182 -1.757 -7.528
50 HB3 ARG 6 1HB ARG 6 -7.830 -0.693 -7.166
51 HG2 ARG 6 2HG ARG 6 -6.505 -2.254 -8.014
52 HG3 ARG 6 1HG ARG 6 -6.873 -3.232 -6.593
53 HD2 ARG 6 2HD ARG 6 -7.310 -4.578 -8.504
54 HD3 ARG 6 1HD ARG 6 -8.870 -4.106 -7.831
55 HE ARG 6 HE ARG 6 -8.336 -2.212 -9.724
56 HH11 ARG 6 1HH1 ARG 6 -8.566 -5.693 -9.726
57 HH12 ARG 6 2HH1 ARG 6 -9.109 -5.782 -11.367
58 HH21 ARG 6 1HH2 ARG 6 -9.050 -2.326 -11.883
59 HH22 ARG 6 2HH2 ARG 6 -9.383 -3.870 -12.592
60 H CYS 7 H CYS 7 -8.349 -1.763 -2.951
61 HA CYS 7 HA CYS 7 -5.471 -2.123 -2.918
62 HB2 CYS 7 2HB CYS 7 -6.794 0.356 -1.807
63 HB3 CYS 7 1HB CYS 7 -5.154 -0.141 -1.409
64 HA PRO 8 HA PRO 8 -7.711 -4.542 0.343
65 HB2 PRO 8 2HB PRO 8 -5.089 -5.941 0.114
66 HB3 PRO 8 1HB PRO 8 -6.719 -6.616 0.217
67 HG2 PRO 8 2HG PRO 8 -5.416 -6.569 -2.103
68 HG3 PRO 8 1HG PRO 8 -7.157 -6.244 -2.030
69 HD2 PRO 8 2HD PRO 8 -4.884 -4.342 -2.387
70 HD3 PRO 8 1HD PRO 8 -6.512 -4.304 -3.094
71 H ASP 9 H ASP 9 -6.652 -5.387 2.490
72 HA ASP 9 HA ASP 9 -5.791 -3.159 3.947
73 HB2 ASP 9 2HB ASP 9 -6.812 -5.512 4.669
74 HB3 ASP 9 1HB ASP 9 -5.114 -5.883 4.948
75 H GLY 10 H GLY 10 -3.899 -2.157 3.873
76 HA2 GLY 10 2HA GLY 10 -1.498 -2.521 4.521
77 HA3 GLY 10 1HA GLY 10 -1.490 -3.764 3.278
78 H MET 11 H MET 11 -3.202 -2.101 1.510
79 HA MET 11 HA MET 11 -1.116 -0.218 0.623
80 HB2 MET 11 2HB MET 11 -2.237 -0.524 -1.656
81 HB3 MET 11 1HB MET 11 -1.283 -1.869 -1.042
82 HG2 MET 11 2HG MET 11 -4.204 -1.810 -0.485
83 HG3 MET 11 1HG MET 11 -3.650 -2.246 -2.101
84 HE1 MET 11 3HE MET 11 -1.077 -4.859 -1.405
85 HE2 MET 11 1HE MET 11 -1.806 -3.693 -2.509
86 HE3 MET 11 2HE MET 11 -2.513 -5.298 -2.327
87 H GLN 12 H GLN 12 -1.618 1.874 0.432
88 HA GLN 12 HA GLN 12 -4.464 2.633 0.505
89 HB2 GLN 12 2HB GLN 12 -2.820 3.025 2.595
90 HB3 GLN 12 1HB GLN 12 -2.478 4.492 1.688
91 HG2 GLN 12 2HG GLN 12 -5.316 3.752 2.136
92 HG3 GLN 12 1HG GLN 12 -4.389 4.386 3.495
93 HE21 GLN 12 1HE2 GLN 12 -6.473 5.266 1.209
94 HE22 GLN 12 2HE2 GLN 12 -5.997 6.907 0.951
95 H MET 13 H MET 13 -5.086 4.382 -0.736
96 HA MET 13 HA MET 13 -3.338 5.008 -2.948
97 HB2 MET 13 2HB MET 13 -6.006 4.680 -2.799
98 HB3 MET 13 1HB MET 13 -5.924 6.430 -2.643
99 HG2 MET 13 2HG MET 13 -5.028 6.707 -4.758
100 HG3 MET 13 1HG MET 13 -4.451 5.044 -4.841
101 HE1 MET 13 3HE MET 13 -8.272 7.031 -5.625
102 HE2 MET 13 1HE MET 13 -7.355 6.754 -7.107
103 HE3 MET 13 2HE MET 13 -6.592 7.557 -5.735
104 H LEU 14 H LEU 14 -2.607 7.061 -3.536
105 HA LEU 14 HA LEU 14 -2.479 8.976 -1.307
106 HB2 LEU 14 2HB LEU 14 -0.522 9.889 -2.762
107 HB3 LEU 14 1HB LEU 14 -0.284 8.468 -1.762
108 HG LEU 14 HG LEU 14 -1.125 8.044 -4.585
109 HD11 LEU 14 1HD1 LEU 14 0.949 8.444 -5.526
110 HD12 LEU 14 2HD1 LEU 14 1.772 8.450 -3.966
111 HD13 LEU 14 3HD1 LEU 14 0.758 9.815 -4.434
112 HD21 LEU 14 3HD2 LEU 14 0.403 6.114 -4.328
113 HD22 LEU 14 1HD2 LEU 14 -0.892 6.133 -3.131
114 HD23 LEU 14 2HD2 LEU 14 0.736 6.634 -2.676
115 H ARG 15 H ARG 15 -1.921 11.296 -2.303
116 HA ARG 15 HA ARG 15 -4.296 12.243 -3.436
117 HB2 ARG 15 2HB ARG 15 -1.556 13.461 -3.162
118 HB3 ARG 15 1HB ARG 15 -2.894 14.340 -3.890
119 HG2 ARG 15 2HG ARG 15 -3.921 14.687 -1.916
120 HG3 ARG 15 1HG ARG 15 -3.440 13.119 -1.267
121 HD2 ARG 15 2HD ARG 15 -1.637 15.516 -1.575
122 HD3 ARG 15 1HD ARG 15 -2.383 14.985 -0.068
123 HE ARG 15 HE ARG 15 -0.799 12.959 -1.351
124 HH11 ARG 15 1HH1 ARG 15 -0.739 15.679 0.835
125 HH12 ARG 15 2HH1 ARG 15 0.702 15.159 1.642
126 HH21 ARG 15 1HH2 ARG 15 1.095 12.273 -0.290
127 HH22 ARG 15 2HH2 ARG 15 1.745 13.226 1.004
128 H SER 16 H SER 16 -1.264 11.265 -4.904
129 HA SER 16 HA SER 16 -1.724 12.306 -7.482
130 HB2 SER 16 2HB SER 16 0.099 10.291 -6.285
131 HB3 SER 16 1HB SER 16 -0.158 10.184 -8.026
132 HG SER 16 HG SER 16 0.332 12.533 -7.994
133 H GLY 17 H GLY 17 -2.806 9.396 -5.883
134 HA2 GLY 17 2HA GLY 17 -4.962 8.532 -6.755
135 HA3 GLY 17 1HA GLY 17 -4.246 8.651 -8.356
136 H GLN 18 H GLN 18 -1.636 7.663 -7.338
137 HA GLN 18 HA GLN 18 -2.049 4.910 -7.850
138 HB2 GLN 18 2HB GLN 18 0.272 6.619 -7.104
139 HB3 GLN 18 1HB GLN 18 0.428 4.884 -6.863
140 HG2 GLN 18 2HG GLN 18 -0.605 5.048 -9.397
141 HG3 GLN 18 1HG GLN 18 0.464 6.448 -9.318
142 HE21 GLN 18 1HE2 GLN 18 2.661 5.960 -8.367
143 HE22 GLN 18 2HE2 GLN 18 3.420 4.496 -8.885
144 H CYS 19 H CYS 19 -1.042 3.216 -6.326
145 HA CYS 19 HA CYS 19 -1.920 3.744 -3.564
146 HB2 CYS 19 2HB CYS 19 -3.259 2.102 -5.247
147 HB3 CYS 19 1HB CYS 19 -2.108 0.962 -4.558
148 H VAL 20 H VAL 20 -0.191 3.737 -2.293
149 HA VAL 20 HA VAL 20 2.076 2.000 -2.957
150 HB VAL 20 HB VAL 20 1.968 4.205 -0.896
151 HG11 VAL 20 1HG1 VAL 20 4.487 4.081 -1.246
152 HG12 VAL 20 2HG1 VAL 20 4.188 2.538 -2.043
153 HG13 VAL 20 3HG1 VAL 20 3.740 2.759 -0.352
154 HG21 VAL 20 3HG2 VAL 20 1.738 4.621 -3.559
155 HG22 VAL 20 1HG2 VAL 20 3.491 4.620 -3.377
156 HG23 VAL 20 2HG2 VAL 20 2.509 5.748 -2.444
157 H ALA 21 H ALA 21 2.771 0.390 -1.642
158 HA ALA 21 HA ALA 21 0.969 -0.451 0.472
159 HB1 ALA 21 1HB ALA 21 3.223 -1.740 -1.009
160 HB2 ALA 21 2HB ALA 21 1.544 -2.257 -0.851
161 HB3 ALA 21 3HB ALA 21 2.652 -2.430 0.511
162 H THR 22 H THR 22 1.319 -0.196 2.582
163 HA THR 22 HA THR 22 3.477 1.350 3.549
164 HB THR 22 HB THR 22 1.862 -0.418 5.350
165 HG1 THR 22 1HG THR 22 0.112 0.360 4.524
166 HG21 THR 22 3HG2 THR 22 1.729 2.127 6.310
167 HG22 THR 22 1HG2 THR 22 3.339 2.083 5.593
168 HG23 THR 22 2HG2 THR 22 2.889 0.899 6.821
169 H THR 23 H THR 23 5.481 0.516 3.258
170 HA THR 23 HA THR 23 6.118 -1.906 4.775
171 HB THR 23 HB THR 23 7.260 -1.444 2.022
172 HG1 THR 23 1HG THR 23 5.433 -2.109 1.273
173 HG21 THR 23 3HG2 THR 23 7.192 -3.831 3.845
174 HG22 THR 23 1HG2 THR 23 8.605 -2.940 3.280
175 HG23 THR 23 2HG2 THR 23 7.658 -3.901 2.145
176 H GLU 24 H GLU 24 6.511 0.936 5.265
177 HA GLU 24 HA GLU 24 9.239 1.600 4.761
178 HB2 GLU 24 2HB GLU 24 6.997 2.783 6.311
179 HB3 GLU 24 1HB GLU 24 8.626 3.253 6.777
180 HG2 GLU 24 2HG GLU 24 8.739 3.538 4.078
181 HG3 GLU 24 1HG GLU 24 7.061 3.963 4.409
182 HA PRO 25 HA PRO 25 9.723 0.761 9.641
183 HB2 PRO 25 2HB PRO 25 7.893 -1.394 10.116
184 HB3 PRO 25 1HB PRO 25 7.936 0.190 10.888
185 HG2 PRO 25 2HG PRO 25 6.242 -0.777 8.680
186 HG3 PRO 25 1HG PRO 25 5.967 0.556 9.813
187 HD2 PRO 25 2HD PRO 25 6.571 0.962 7.212
188 HD3 PRO 25 1HD PRO 25 7.094 2.074 8.493
189 HA PRO 26 HA PRO 26 10.524 -3.894 8.641
190 HB2 PRO 26 2HB PRO 26 9.408 -4.915 6.374
191 HB3 PRO 26 1HB PRO 26 8.626 -4.986 7.958
192 HG2 PRO 26 2HG PRO 26 8.173 -3.066 5.705
193 HG3 PRO 26 1HG PRO 26 6.983 -3.879 6.740
194 HD2 PRO 26 2HD PRO 26 7.715 -1.316 7.140
195 HD3 PRO 26 1HD PRO 26 7.301 -2.399 8.484
196 H PHE 27 H PHE 27 11.468 -5.152 6.522
197 HA PHE 27 HA PHE 27 12.730 -3.217 4.737
198 HB2 PHE 27 2HB PHE 27 14.061 -4.533 6.935
199 HB3 PHE 27 1HB PHE 27 14.783 -5.019 5.405
200 HD1 PHE 27 1HD PHE 27 14.820 -2.763 3.737
201 HD2 PHE 27 2HD PHE 27 15.279 -2.898 7.966
202 HE1 PHE 27 1HE PHE 27 16.083 -0.654 3.663
203 HE2 PHE 27 2HE PHE 27 16.543 -0.788 7.900
204 HZ PHE 27 HZ PHE 27 16.947 0.336 5.746
205 H ASP 28 H ASP 28 14.406 -4.730 3.330
206 HA ASP 28 HA ASP 28 12.679 -6.325 1.745
207 HB2 ASP 28 2HB ASP 28 15.550 -5.564 1.679
208 HB3 ASP 28 1HB ASP 28 15.091 -7.011 0.786
209 HA PRO 29 HA PRO 29 15.302 -10.113 3.290
210 HB2 PRO 29 2HB PRO 29 16.733 -9.643 5.602
211 HB3 PRO 29 1HB PRO 29 17.417 -9.626 3.975
212 HG2 PRO 29 2HG PRO 29 16.556 -7.341 5.695
213 HG3 PRO 29 1HG PRO 29 17.953 -7.470 4.611
214 HD2 PRO 29 2HD PRO 29 15.734 -6.108 3.927
215 HD3 PRO 29 1HD PRO 29 16.695 -7.000 2.730
216 H ASP 30 H ASP 30 15.140 -8.450 6.410
217 HA ASP 30 HA ASP 30 12.523 -9.153 7.101
218 HB2 ASP 30 2HB ASP 30 13.356 -11.463 6.951
219 HB3 ASP 30 1HB ASP 30 14.610 -11.086 8.129
220 H SER 31 H SER 31 15.549 -9.538 8.917
221 HA SER 31 HA SER 31 15.537 -7.001 10.112
222 HB2 SER 31 2HB SER 31 14.921 -7.946 12.482
223 HB3 SER 31 1HB SER 31 13.640 -7.434 11.383
224 HG SER 31 HG SER 31 13.613 -9.652 12.495
225 H TYR 32 H TYR 32 15.976 -10.102 11.763
226 HA TYR 32 HA TYR 32 18.706 -9.411 12.395
227 HB2 TYR 32 2HB TYR 32 16.901 -10.730 13.820
228 HB3 TYR 32 1HB TYR 32 17.584 -12.116 12.977
229 HD1 TYR 32 1HD TYR 32 20.157 -12.390 13.098
230 HD2 TYR 32 2HD TYR 32 17.923 -9.925 15.749
231 HE1 TYR 32 1HE TYR 32 22.005 -12.466 14.718
232 HE2 TYR 32 2HE TYR 32 19.766 -9.994 17.377
233 HH TYR 32 HH TYR 32 22.753 -10.726 16.743
Start of MODEL 17
1 H1 SER 1 1HT SER 1 -12.928 9.360 0.627
2 H2 SER 1 2HT SER 1 -13.296 9.351 -1.049
3 H3 SER 1 3HT SER 1 -12.016 8.380 -0.443
4 HA SER 1 HA SER 1 -13.426 6.928 0.593
5 HB2 SER 1 2HB SER 1 -15.909 7.454 0.703
6 HB3 SER 1 1HB SER 1 -14.876 8.471 1.707
7 HG SER 1 HG SER 1 -15.022 10.089 0.142
8 H VAL 2 H VAL 2 -12.489 7.384 -2.109
9 HA VAL 2 HA VAL 2 -14.536 6.850 -3.995
10 HB VAL 2 HB VAL 2 -12.367 7.799 -4.650
11 HG11 VAL 2 1HG1 VAL 2 -10.349 6.751 -4.436
12 HG12 VAL 2 2HG1 VAL 2 -11.056 5.137 -4.492
13 HG13 VAL 2 3HG1 VAL 2 -11.175 6.100 -3.019
14 HG21 VAL 2 3HG2 VAL 2 -12.115 6.617 -6.699
15 HG22 VAL 2 1HG2 VAL 2 -13.818 6.517 -6.252
16 HG23 VAL 2 2HG2 VAL 2 -12.756 5.133 -5.995
17 H GLN 3 H GLN 3 -14.775 4.871 -5.256
18 HA GLN 3 HA GLN 3 -15.346 2.638 -3.716
19 HB2 GLN 3 2HB GLN 3 -15.283 1.411 -5.978
20 HB3 GLN 3 1HB GLN 3 -16.419 2.740 -5.791
21 HG2 GLN 3 2HG GLN 3 -13.788 3.501 -6.838
22 HG3 GLN 3 1HG GLN 3 -14.731 2.436 -7.880
23 HE21 GLN 3 1HE2 GLN 3 -14.320 4.690 -9.016
24 HE22 GLN 3 2HE2 GLN 3 -15.663 5.773 -8.921
25 H ILE 4 H ILE 4 -14.358 0.368 -4.585
26 HA ILE 4 HA ILE 4 -11.440 0.499 -4.551
27 HB ILE 4 HB ILE 4 -12.086 0.301 -2.195
28 HG12 ILE 4 2HG1 ILE 4 -11.138 -2.448 -2.718
29 HG13 ILE 4 1HG1 ILE 4 -10.209 -1.170 -3.496
30 HG21 ILE 4 1HG2 ILE 4 -13.166 -2.424 -2.508
31 HG22 ILE 4 2HG2 ILE 4 -14.216 -1.107 -3.031
32 HG23 ILE 4 3HG2 ILE 4 -13.609 -1.148 -1.375
33 HD11 ILE 4 3HD1 ILE 4 -10.860 -0.963 -0.595
34 HD12 ILE 4 1HD1 ILE 4 -9.503 -0.286 -1.496
35 HD13 ILE 4 2HD1 ILE 4 -9.549 -2.012 -1.134
36 H LEU 5 H LEU 5 -12.524 -0.082 -6.807
37 HA LEU 5 HA LEU 5 -13.416 -2.727 -7.213
38 HB2 LEU 5 2HB LEU 5 -12.735 -2.264 -9.636
39 HB3 LEU 5 1HB LEU 5 -13.996 -1.280 -8.926
40 HG LEU 5 HG LEU 5 -12.122 -0.199 -10.395
41 HD11 LEU 5 1HD1 LEU 5 -12.401 1.478 -8.043
42 HD12 LEU 5 2HD1 LEU 5 -13.926 0.745 -8.548
43 HD13 LEU 5 3HD1 LEU 5 -12.992 1.715 -9.687
44 HD21 LEU 5 3HD2 LEU 5 -10.777 -0.062 -7.707
45 HD22 LEU 5 1HD2 LEU 5 -10.193 0.563 -9.247
46 HD23 LEU 5 2HD2 LEU 5 -10.289 -1.177 -8.984
47 H ARG 6 H ARG 6 -10.310 -1.543 -6.527
48 HA ARG 6 HA ARG 6 -9.146 -4.106 -6.597
49 HB2 ARG 6 2HB ARG 6 -9.298 -3.392 -9.095
50 HB3 ARG 6 1HB ARG 6 -7.947 -2.337 -8.704
51 HG2 ARG 6 2HG ARG 6 -6.631 -4.061 -9.174
52 HG3 ARG 6 1HG ARG 6 -7.185 -4.773 -7.657
53 HD2 ARG 6 2HD ARG 6 -8.773 -6.109 -8.726
54 HD3 ARG 6 1HD ARG 6 -8.739 -5.133 -10.195
55 HE ARG 6 HE ARG 6 -7.097 -7.361 -9.614
56 HH11 ARG 6 1HH1 ARG 6 -7.008 -4.216 -11.126
57 HH12 ARG 6 2HH1 ARG 6 -5.724 -4.636 -12.210
58 HH21 ARG 6 1HH2 ARG 6 -5.410 -7.915 -11.040
59 HH22 ARG 6 2HH2 ARG 6 -4.817 -6.735 -12.162
60 H CYS 7 H CYS 7 -8.111 -3.817 -4.727
61 HA CYS 7 HA CYS 7 -5.843 -2.051 -4.637
62 HB2 CYS 7 2HB CYS 7 -8.312 -1.491 -3.032
63 HB3 CYS 7 1HB CYS 7 -6.732 -1.114 -2.352
64 HA PRO 8 HA PRO 8 -5.772 -6.248 -2.387
65 HB2 PRO 8 2HB PRO 8 -3.119 -6.117 -3.742
66 HB3 PRO 8 1HB PRO 8 -4.203 -7.495 -3.523
67 HG2 PRO 8 2HG PRO 8 -4.019 -6.278 -5.882
68 HG3 PRO 8 1HG PRO 8 -5.582 -6.857 -5.277
69 HD2 PRO 8 2HD PRO 8 -4.513 -4.077 -5.415
70 HD3 PRO 8 1HD PRO 8 -6.177 -4.661 -5.618
71 H ASP 9 H ASP 9 -3.752 -6.998 -1.049
72 HA ASP 9 HA ASP 9 -3.280 -5.067 0.926
73 HB2 ASP 9 2HB ASP 9 -1.605 -6.688 1.809
74 HB3 ASP 9 1HB ASP 9 -3.165 -7.424 1.456
75 H GLY 10 H GLY 10 -1.834 -3.479 1.106
76 HA2 GLY 10 2HA GLY 10 0.426 -2.663 0.921
77 HA3 GLY 10 1HA GLY 10 0.590 -3.587 -0.565
78 H MET 11 H MET 11 -2.091 -2.698 -1.489
79 HA MET 11 HA MET 11 -1.223 -0.125 -2.559
80 HB2 MET 11 2HB MET 11 -2.291 -2.264 -3.816
81 HB3 MET 11 1HB MET 11 -3.754 -1.340 -3.498
82 HG2 MET 11 2HG MET 11 -3.285 -0.330 -5.427
83 HG3 MET 11 1HG MET 11 -2.115 0.586 -4.479
84 HE1 MET 11 3HE MET 11 -1.122 -3.110 -7.033
85 HE2 MET 11 1HE MET 11 -2.712 -2.656 -6.421
86 HE3 MET 11 2HE MET 11 -1.503 -3.324 -5.324
87 H GLN 12 H GLN 12 -1.680 1.379 -1.008
88 HA GLN 12 HA GLN 12 -4.358 1.453 0.150
89 HB2 GLN 12 2HB GLN 12 -1.726 2.661 0.821
90 HB3 GLN 12 1HB GLN 12 -3.164 3.562 1.282
91 HG2 GLN 12 2HG GLN 12 -2.925 2.339 3.161
92 HG3 GLN 12 1HG GLN 12 -3.872 1.181 2.227
93 HE21 GLN 12 1HE2 GLN 12 -2.472 0.166 4.221
94 HE22 GLN 12 2HE2 GLN 12 -1.073 -0.677 3.660
95 H MET 13 H MET 13 -5.750 3.216 -0.045
96 HA MET 13 HA MET 13 -5.742 4.512 -2.565
97 HB2 MET 13 2HB MET 13 -7.429 4.761 -0.092
98 HB3 MET 13 1HB MET 13 -7.642 5.875 -1.436
99 HG2 MET 13 2HG MET 13 -8.007 3.909 -2.918
100 HG3 MET 13 1HG MET 13 -7.970 2.886 -1.482
101 HE1 MET 13 3HE MET 13 -9.669 1.910 -0.968
102 HE2 MET 13 1HE MET 13 -11.307 2.228 -1.542
103 HE3 MET 13 2HE MET 13 -10.828 2.728 0.080
104 H LEU 14 H LEU 14 -5.665 6.785 -2.998
105 HA LEU 14 HA LEU 14 -3.864 8.217 -1.164
106 HB2 LEU 14 2HB LEU 14 -4.291 8.536 -4.135
107 HB3 LEU 14 1HB LEU 14 -3.263 9.576 -3.167
108 HG LEU 14 HG LEU 14 -2.837 6.604 -3.477
109 HD11 LEU 14 1HD1 LEU 14 -2.247 7.192 -5.571
110 HD12 LEU 14 2HD1 LEU 14 -0.769 7.728 -4.774
111 HD13 LEU 14 3HD1 LEU 14 -2.038 8.893 -5.153
112 HD21 LEU 14 3HD2 LEU 14 -0.468 7.537 -2.757
113 HD22 LEU 14 1HD2 LEU 14 -1.695 7.100 -1.568
114 HD23 LEU 14 2HD2 LEU 14 -1.461 8.790 -2.012
115 H ARG 15 H ARG 15 -4.075 10.692 -1.429
116 HA ARG 15 HA ARG 15 -6.572 11.480 -0.455
117 HB2 ARG 15 2HB ARG 15 -5.765 13.802 -0.833
118 HB3 ARG 15 1HB ARG 15 -4.607 12.791 0.015
119 HG2 ARG 15 2HG ARG 15 -3.729 12.396 -2.463
120 HG3 ARG 15 1HG ARG 15 -4.466 13.983 -2.688
121 HD2 ARG 15 2HD ARG 15 -2.302 14.523 -2.076
122 HD3 ARG 15 1HD ARG 15 -3.164 14.619 -0.541
123 HE ARG 15 HE ARG 15 -1.933 12.846 0.221
124 HH11 ARG 15 1HH1 ARG 15 -1.611 13.034 -3.249
125 HH12 ARG 15 2HH1 ARG 15 -0.377 11.823 -3.325
126 HH21 ARG 15 1HH2 ARG 15 -0.310 11.251 0.123
127 HH22 ARG 15 2HH2 ARG 15 0.361 10.809 -1.411
128 H SER 16 H SER 16 -5.318 11.344 -3.716
129 HA SER 16 HA SER 16 -7.454 12.874 -4.871
130 HB2 SER 16 2HB SER 16 -5.978 11.046 -6.646
131 HB3 SER 16 1HB SER 16 -6.236 12.784 -6.779
132 HG SER 16 HG SER 16 -4.633 12.933 -5.021
133 H GLY 17 H GLY 17 -6.821 9.501 -4.212
134 HA2 GLY 17 2HA GLY 17 -9.008 8.263 -3.900
135 HA3 GLY 17 1HA GLY 17 -9.366 8.797 -5.534
136 H GLN 18 H GLN 18 -6.508 8.408 -6.318
137 HA GLN 18 HA GLN 18 -6.721 5.847 -7.407
138 HB2 GLN 18 2HB GLN 18 -4.217 7.467 -6.911
139 HB3 GLN 18 1HB GLN 18 -4.341 6.089 -7.995
140 HG2 GLN 18 2HG GLN 18 -5.946 8.613 -8.298
141 HG3 GLN 18 1HG GLN 18 -4.413 8.309 -9.114
142 HE21 GLN 18 1HE2 GLN 18 -4.326 6.853 -10.795
143 HE22 GLN 18 2HE2 GLN 18 -5.740 6.210 -11.551
144 H CYS 19 H CYS 19 -4.834 4.191 -7.071
145 HA CYS 19 HA CYS 19 -4.619 3.670 -4.178
146 HB2 CYS 19 2HB CYS 19 -6.012 2.140 -5.920
147 HB3 CYS 19 1HB CYS 19 -4.428 1.381 -6.047
148 H VAL 20 H VAL 20 -2.590 4.323 -3.705
149 HA VAL 20 HA VAL 20 -0.382 3.854 -5.493
150 HB VAL 20 HB VAL 20 -0.441 5.873 -4.100
151 HG11 VAL 20 1HG1 VAL 20 -1.544 5.032 -2.134
152 HG12 VAL 20 2HG1 VAL 20 0.028 5.689 -1.674
153 HG13 VAL 20 3HG1 VAL 20 -0.196 3.944 -1.797
154 HG21 VAL 20 3HG2 VAL 20 1.715 5.145 -4.847
155 HG22 VAL 20 1HG2 VAL 20 1.834 3.980 -3.530
156 HG23 VAL 20 2HG2 VAL 20 1.871 5.708 -3.184
157 H ALA 21 H ALA 21 1.098 2.262 -5.422
158 HA ALA 21 HA ALA 21 0.569 -0.024 -3.752
159 HB1 ALA 21 1HB ALA 21 1.380 0.041 -6.222
160 HB2 ALA 21 2HB ALA 21 1.989 -1.207 -5.136
161 HB3 ALA 21 3HB ALA 21 2.981 0.204 -5.499
162 H THR 22 H THR 22 0.984 1.000 -1.684
163 HA THR 22 HA THR 22 3.688 1.811 -1.068
164 HB THR 22 HB THR 22 1.737 1.305 1.110
165 HG1 THR 22 1HG THR 22 0.236 2.289 0.007
166 HG21 THR 22 3HG2 THR 22 3.583 2.425 1.900
167 HG22 THR 22 1HG2 THR 22 2.450 3.741 1.591
168 HG23 THR 22 2HG2 THR 22 3.745 3.403 0.442
169 H THR 23 H THR 23 4.788 -0.158 -1.575
170 HA THR 23 HA THR 23 4.229 -2.473 0.100
171 HB THR 23 HB THR 23 6.379 -3.255 -1.286
172 HG1 THR 23 1HG THR 23 6.508 -2.238 -3.232
173 HG21 THR 23 3HG2 THR 23 4.074 -4.213 -1.417
174 HG22 THR 23 1HG2 THR 23 4.981 -4.229 -2.929
175 HG23 THR 23 2HG2 THR 23 3.724 -3.021 -2.668
176 H GLU 24 H GLU 24 4.862 -0.759 1.880
177 HA GLU 24 HA GLU 24 7.753 -0.800 2.340
178 HB2 GLU 24 2HB GLU 24 5.513 0.919 3.254
179 HB3 GLU 24 1HB GLU 24 6.838 0.676 4.384
180 HG2 GLU 24 2HG GLU 24 8.404 1.632 2.906
181 HG3 GLU 24 1HG GLU 24 7.272 1.578 1.555
182 HA PRO 25 HA PRO 25 6.526 -4.307 5.023
183 HB2 PRO 25 2HB PRO 25 9.029 -5.377 5.140
184 HB3 PRO 25 1HB PRO 25 7.898 -5.698 3.818
185 HG2 PRO 25 2HG PRO 25 10.178 -3.758 3.934
186 HG3 PRO 25 1HG PRO 25 9.702 -4.849 2.619
187 HD2 PRO 25 2HD PRO 25 9.088 -2.223 2.596
188 HD3 PRO 25 1HD PRO 25 8.007 -3.450 1.905
189 HA PRO 26 HA PRO 26 7.919 -2.866 8.954
190 HB2 PRO 26 2HB PRO 26 8.519 -5.131 10.325
191 HB3 PRO 26 1HB PRO 26 6.863 -4.652 9.943
192 HG2 PRO 26 2HG PRO 26 8.629 -6.631 8.556
193 HG3 PRO 26 1HG PRO 26 6.910 -6.763 8.969
194 HD2 PRO 26 2HD PRO 26 7.761 -6.130 6.480
195 HD3 PRO 26 1HD PRO 26 6.248 -5.497 7.158
196 H PHE 27 H PHE 27 9.766 -3.591 10.733
197 HA PHE 27 HA PHE 27 12.178 -2.656 9.667
198 HB2 PHE 27 2HB PHE 27 11.216 -2.991 12.180
199 HB3 PHE 27 1HB PHE 27 12.365 -4.322 12.103
200 HD1 PHE 27 2HD PHE 27 12.109 -0.668 11.441
201 HD2 PHE 27 1HD PHE 27 14.590 -3.933 12.578
202 HE1 PHE 27 2HE PHE 27 13.946 0.898 11.915
203 HE2 PHE 27 1HE PHE 27 16.432 -2.373 13.057
204 HZ PHE 27 HZ PHE 27 16.111 0.046 12.724
205 H ASP 28 H ASP 28 14.074 -3.648 9.059
206 HA ASP 28 HA ASP 28 13.920 -6.113 7.759
207 HB2 ASP 28 2HB ASP 28 16.108 -4.244 8.502
208 HB3 ASP 28 1HB ASP 28 16.574 -5.886 8.068
209 HA PRO 29 HA PRO 29 14.607 -9.105 10.924
210 HB2 PRO 29 2HB PRO 29 15.874 -11.067 9.572
211 HB3 PRO 29 1HB PRO 29 14.172 -10.678 9.296
212 HG2 PRO 29 2HG PRO 29 16.577 -9.880 7.706
213 HG3 PRO 29 1HG PRO 29 14.995 -10.440 7.135
214 HD2 PRO 29 2HD PRO 29 15.719 -7.813 7.199
215 HD3 PRO 29 1HD PRO 29 14.040 -8.364 7.368
216 H ASP 30 H ASP 30 16.026 -8.156 12.376
217 HA ASP 30 HA ASP 30 18.889 -8.307 11.819
218 HB2 ASP 30 2HB ASP 30 17.577 -6.261 12.849
219 HB3 ASP 30 1HB ASP 30 17.791 -7.156 14.350
220 H SER 31 H SER 31 18.332 -10.768 11.985
221 HA SER 31 HA SER 31 18.404 -11.682 14.760
222 HB2 SER 31 2HB SER 31 16.932 -12.650 12.763
223 HB3 SER 31 1HB SER 31 18.387 -13.605 12.482
224 HG SER 31 HG SER 31 18.101 -14.627 14.341
225 H TYR 32 H TYR 32 20.702 -10.366 13.587
226 HA TYR 32 HA TYR 32 22.962 -10.578 13.436
227 HB2 TYR 32 2HB TYR 32 22.717 -11.438 15.710
228 HB3 TYR 32 1HB TYR 32 22.410 -13.055 15.085
229 HD1 TYR 32 1HD TYR 32 25.010 -10.450 14.392
230 HD2 TYR 32 2HD TYR 32 24.176 -14.466 15.526
231 HE1 TYR 32 1HE TYR 32 27.422 -10.925 14.462
232 HE2 TYR 32 2HE TYR 32 26.586 -14.951 15.599
233 HH TYR 32 HH TYR 32 28.954 -12.522 15.525
Start of MODEL 18
1 H1 SER 1 1HT SER 1 -17.530 1.347 -2.338
2 H2 SER 1 2HT SER 1 -17.293 3.022 -2.620
3 H3 SER 1 3HT SER 1 -15.945 1.962 -2.559
4 HA SER 1 HA SER 1 -18.036 2.168 -4.607
5 HB2 SER 1 2HB SER 1 -15.648 2.123 -5.868
6 HB3 SER 1 1HB SER 1 -16.393 3.609 -5.280
7 HG SER 1 HG SER 1 -14.509 3.749 -4.305
8 H VAL 2 H VAL 2 -16.937 0.768 -6.577
9 HA VAL 2 HA VAL 2 -16.221 -1.883 -5.594
10 HB VAL 2 HB VAL 2 -18.511 -1.539 -7.528
11 HG11 VAL 2 1HG1 VAL 2 -17.082 -3.840 -6.318
12 HG12 VAL 2 2HG1 VAL 2 -17.776 -3.656 -7.929
13 HG13 VAL 2 3HG1 VAL 2 -18.824 -3.987 -6.550
14 HG21 VAL 2 3HG2 VAL 2 -19.480 -0.736 -5.589
15 HG22 VAL 2 1HG2 VAL 2 -18.496 -1.764 -4.547
16 HG23 VAL 2 2HG2 VAL 2 -19.821 -2.464 -5.477
17 H GLN 3 H GLN 3 -14.780 0.160 -7.038
18 HA GLN 3 HA GLN 3 -14.658 -0.306 -9.796
19 HB2 GLN 3 2HB GLN 3 -12.319 0.482 -8.060
20 HB3 GLN 3 1HB GLN 3 -12.561 0.849 -9.762
21 HG2 GLN 3 2HG GLN 3 -14.582 2.182 -9.062
22 HG3 GLN 3 1HG GLN 3 -14.030 1.980 -7.400
23 HE21 GLN 3 1HE2 GLN 3 -12.463 2.731 -10.499
24 HE22 GLN 3 2HE2 GLN 3 -11.636 4.139 -9.933
25 H ILE 4 H ILE 4 -12.113 -0.950 -10.492
26 HA ILE 4 HA ILE 4 -11.900 -3.764 -9.646
27 HB ILE 4 HB ILE 4 -10.934 -2.633 -12.268
28 HG12 ILE 4 2HG1 ILE 4 -13.239 -4.369 -12.480
29 HG13 ILE 4 1HG1 ILE 4 -13.610 -2.968 -11.479
30 HG21 ILE 4 1HG2 ILE 4 -11.325 -5.219 -12.746
31 HG22 ILE 4 2HG2 ILE 4 -11.014 -5.314 -11.013
32 HG23 ILE 4 3HG2 ILE 4 -9.812 -4.598 -12.087
33 HD11 ILE 4 3HD1 ILE 4 -13.907 -1.782 -13.315
34 HD12 ILE 4 1HD1 ILE 4 -13.424 -3.155 -14.311
35 HD13 ILE 4 2HD1 ILE 4 -12.208 -2.018 -13.726
36 H LEU 5 H LEU 5 -10.632 -1.499 -8.334
37 HA LEU 5 HA LEU 5 -7.941 -2.521 -8.292
38 HB2 LEU 5 2HB LEU 5 -8.323 -0.558 -10.098
39 HB3 LEU 5 1HB LEU 5 -7.994 0.412 -8.675
40 HG LEU 5 HG LEU 5 -6.132 -1.810 -9.426
41 HD11 LEU 5 1HD1 LEU 5 -5.634 0.951 -10.420
42 HD12 LEU 5 2HD1 LEU 5 -6.683 -0.117 -11.352
43 HD13 LEU 5 3HD1 LEU 5 -5.018 -0.591 -11.012
44 HD21 LEU 5 3HD2 LEU 5 -5.701 0.854 -8.080
45 HD22 LEU 5 1HD2 LEU 5 -4.511 -0.433 -8.275
46 HD23 LEU 5 2HD2 LEU 5 -5.919 -0.682 -7.243
47 H ARG 6 H ARG 6 -9.830 -2.619 -6.336
48 HA ARG 6 HA ARG 6 -9.927 -0.494 -4.529
49 HB2 ARG 6 2HB ARG 6 -10.410 -3.411 -4.409
50 HB3 ARG 6 1HB ARG 6 -10.103 -2.620 -2.869
51 HG2 ARG 6 2HG ARG 6 -12.017 -1.199 -4.553
52 HG3 ARG 6 1HG ARG 6 -12.533 -2.824 -4.096
53 HD2 ARG 6 2HD ARG 6 -11.569 -0.716 -2.168
54 HD3 ARG 6 1HD ARG 6 -13.263 -1.074 -2.502
55 HE ARG 6 HE ARG 6 -11.731 -3.361 -1.667
56 HH11 ARG 6 1HH1 ARG 6 -13.619 -0.629 -0.593
57 HH12 ARG 6 2HH1 ARG 6 -14.020 -1.345 0.930
58 HH21 ARG 6 1HH2 ARG 6 -12.259 -4.306 0.337
59 HH22 ARG 6 2HH2 ARG 6 -13.248 -3.434 1.460
60 H CYS 7 H CYS 7 -9.023 -1.160 -2.107
61 HA CYS 7 HA CYS 7 -6.151 -1.693 -2.376
62 HB2 CYS 7 2HB CYS 7 -7.404 0.836 -1.637
63 HB3 CYS 7 1HB CYS 7 -6.264 0.272 -0.421
64 HA PRO 8 HA PRO 8 -8.149 -3.915 1.229
65 HB2 PRO 8 2HB PRO 8 -7.015 -6.335 0.054
66 HB3 PRO 8 1HB PRO 8 -8.695 -5.976 0.455
67 HG2 PRO 8 2HG PRO 8 -7.811 -6.187 -2.098
68 HG3 PRO 8 1HG PRO 8 -9.147 -5.121 -1.628
69 HD2 PRO 8 2HD PRO 8 -6.278 -4.442 -2.163
70 HD3 PRO 8 1HD PRO 8 -7.750 -3.570 -2.640
71 H ASP 9 H ASP 9 -6.709 -6.160 2.114
72 HA ASP 9 HA ASP 9 -4.610 -4.965 3.537
73 HB2 ASP 9 2HB ASP 9 -5.388 -7.834 3.057
74 HB3 ASP 9 1HB ASP 9 -3.968 -7.418 4.012
75 H GLY 10 H GLY 10 -3.231 -3.944 2.054
76 HA2 GLY 10 2HA GLY 10 -0.866 -5.026 1.411
77 HA3 GLY 10 1HA GLY 10 -1.858 -5.545 0.057
78 H MET 11 H MET 11 -3.451 -2.996 0.316
79 HA MET 11 HA MET 11 -1.467 -1.058 -0.630
80 HB2 MET 11 2HB MET 11 -4.048 -1.642 -2.093
81 HB3 MET 11 1HB MET 11 -2.804 -0.495 -2.569
82 HG2 MET 11 2HG MET 11 -1.244 -2.295 -2.972
83 HG3 MET 11 1HG MET 11 -2.421 -3.474 -2.397
84 HE1 MET 11 3HE MET 11 -1.687 -3.933 -6.138
85 HE2 MET 11 1HE MET 11 -0.693 -3.348 -4.804
86 HE3 MET 11 2HE MET 11 -1.180 -2.244 -6.090
87 H GLN 12 H GLN 12 -1.858 1.003 -0.021
88 HA GLN 12 HA GLN 12 -4.379 1.515 1.418
89 HB2 GLN 12 2HB GLN 12 -1.742 2.919 1.862
90 HB3 GLN 12 1HB GLN 12 -3.190 3.029 2.854
91 HG2 GLN 12 2HG GLN 12 -2.164 0.311 2.543
92 HG3 GLN 12 1HG GLN 12 -1.054 1.418 3.352
93 HE21 GLN 12 1HE2 GLN 12 -4.582 1.022 3.365
94 HE22 GLN 12 2HE2 GLN 12 -4.734 0.893 5.080
95 H MET 13 H MET 13 -4.117 4.275 1.686
96 HA MET 13 HA MET 13 -4.612 5.117 -1.074
97 HB2 MET 13 2HB MET 13 -6.426 5.453 0.556
98 HB3 MET 13 1HB MET 13 -5.360 6.457 1.530
99 HG2 MET 13 2HG MET 13 -5.165 7.764 -0.788
100 HG3 MET 13 1HG MET 13 -6.773 7.070 -0.988
101 HE1 MET 13 3HE MET 13 -5.446 8.313 2.762
102 HE2 MET 13 1HE MET 13 -5.358 9.989 2.218
103 HE3 MET 13 2HE MET 13 -4.416 8.744 1.396
104 H LEU 14 H LEU 14 -3.594 6.869 -1.999
105 HA LEU 14 HA LEU 14 -1.013 7.542 -0.917
106 HB2 LEU 14 2HB LEU 14 -2.487 8.163 -3.447
107 HB3 LEU 14 1HB LEU 14 -1.064 9.097 -3.023
108 HG LEU 14 HG LEU 14 -1.062 6.093 -3.251
109 HD11 LEU 14 1HD1 LEU 14 -0.999 8.153 -5.320
110 HD12 LEU 14 2HD1 LEU 14 -1.293 6.419 -5.449
111 HD13 LEU 14 3HD1 LEU 14 0.360 7.031 -5.388
112 HD21 LEU 14 3HD2 LEU 14 1.311 6.285 -3.236
113 HD22 LEU 14 1HD2 LEU 14 0.705 7.226 -1.873
114 HD23 LEU 14 2HD2 LEU 14 1.230 8.045 -3.343
115 H ARG 15 H ARG 15 -0.281 9.842 -0.861
116 HA ARG 15 HA ARG 15 -1.719 11.323 0.996
117 HB2 ARG 15 2HB ARG 15 -0.216 13.240 0.249
118 HB3 ARG 15 1HB ARG 15 0.587 11.779 0.809
119 HG2 ARG 15 2HG ARG 15 0.073 11.864 -2.076
120 HG3 ARG 15 1HG ARG 15 1.187 13.095 -1.481
121 HD2 ARG 15 2HD ARG 15 1.951 10.737 -0.197
122 HD3 ARG 15 1HD ARG 15 1.600 10.261 -1.858
123 HE ARG 15 HE ARG 15 3.789 11.879 -0.943
124 HH11 ARG 15 1HH1 ARG 15 1.752 11.108 -3.669
125 HH12 ARG 15 2HH1 ARG 15 2.911 11.631 -4.843
126 HH21 ARG 15 1HH2 ARG 15 5.314 12.570 -2.486
127 HH22 ARG 15 2HH2 ARG 15 4.934 12.463 -4.172
128 H SER 16 H SER 16 -2.028 11.179 -2.445
129 HA SER 16 HA SER 16 -3.641 13.606 -2.547
130 HB2 SER 16 2HB SER 16 -3.784 12.643 -5.063
131 HB3 SER 16 1HB SER 16 -2.447 13.641 -4.489
132 HG SER 16 HG SER 16 -1.163 11.930 -4.446
133 H GLY 17 H GLY 17 -3.961 10.127 -2.654
134 HA2 GLY 17 2HA GLY 17 -6.305 9.570 -1.732
135 HA3 GLY 17 1HA GLY 17 -6.844 10.395 -3.186
136 H GLN 18 H GLN 18 -4.407 9.233 -4.602
137 HA GLN 18 HA GLN 18 -5.663 7.100 -5.866
138 HB2 GLN 18 2HB GLN 18 -2.926 8.209 -5.792
139 HB3 GLN 18 1HB GLN 18 -3.048 6.536 -6.320
140 HG2 GLN 18 2HG GLN 18 -3.133 7.851 -8.266
141 HG3 GLN 18 1HG GLN 18 -4.783 7.300 -7.973
142 HE21 GLN 18 1HE2 GLN 18 -4.022 9.528 -9.557
143 HE22 GLN 18 2HE2 GLN 18 -4.689 10.944 -8.824
144 H CYS 19 H CYS 19 -4.075 4.926 -6.005
145 HA CYS 19 HA CYS 19 -4.278 3.811 -3.290
146 HB2 CYS 19 2HB CYS 19 -5.108 2.853 -5.888
147 HB3 CYS 19 1HB CYS 19 -4.024 1.696 -5.122
148 H VAL 20 H VAL 20 -2.429 3.502 -2.270
149 HA VAL 20 HA VAL 20 0.041 3.175 -3.815
150 HB VAL 20 HB VAL 20 0.022 4.959 -2.121
151 HG11 VAL 20 1HG1 VAL 20 0.085 4.257 0.298
152 HG12 VAL 20 2HG1 VAL 20 -0.531 2.689 -0.226
153 HG13 VAL 20 3HG1 VAL 20 -1.490 4.144 -0.490
154 HG21 VAL 20 3HG2 VAL 20 2.145 4.515 -1.206
155 HG22 VAL 20 1HG2 VAL 20 2.090 3.605 -2.717
156 HG23 VAL 20 2HG2 VAL 20 1.858 2.774 -1.178
157 H ALA 21 H ALA 21 1.632 1.600 -3.071
158 HA ALA 21 HA ALA 21 0.328 -0.870 -2.192
159 HB1 ALA 21 1HB ALA 21 1.777 -2.030 -3.488
160 HB2 ALA 21 2HB ALA 21 3.121 -0.937 -3.157
161 HB3 ALA 21 3HB ALA 21 1.888 -0.489 -4.336
162 H THR 22 H THR 22 1.028 -2.038 -0.440
163 HA THR 22 HA THR 22 2.140 -0.669 1.722
164 HB THR 22 HB THR 22 1.978 -3.652 1.250
165 HG1 THR 22 1HG THR 22 0.050 -3.483 2.384
166 HG21 THR 22 3HG2 THR 22 3.489 -3.219 3.083
167 HG22 THR 22 1HG2 THR 22 1.962 -3.861 3.687
168 HG23 THR 22 2HG2 THR 22 2.311 -2.139 3.829
169 H THR 23 H THR 23 4.080 0.303 1.179
170 HA THR 23 HA THR 23 6.393 -1.445 1.306
171 HB THR 23 HB THR 23 7.027 0.462 -0.709
172 HG1 THR 23 1HG THR 23 5.146 0.638 -1.636
173 HG21 THR 23 3HG2 THR 23 6.962 -2.471 -0.450
174 HG22 THR 23 1HG2 THR 23 8.250 -1.401 -1.002
175 HG23 THR 23 2HG2 THR 23 6.926 -1.822 -2.089
176 H GLU 24 H GLU 24 5.135 0.529 3.035
177 HA GLU 24 HA GLU 24 6.741 2.904 2.982
178 HB2 GLU 24 2HB GLU 24 4.403 2.009 4.337
179 HB3 GLU 24 1HB GLU 24 5.570 2.501 5.555
180 HG2 GLU 24 2HG GLU 24 5.248 4.341 3.285
181 HG3 GLU 24 1HG GLU 24 3.851 4.176 4.348
182 HA PRO 25 HA PRO 25 8.950 0.954 6.772
183 HB2 PRO 25 2HB PRO 25 8.322 -1.562 7.531
184 HB3 PRO 25 1HB PRO 25 7.424 -0.150 8.100
185 HG2 PRO 25 2HG PRO 25 6.735 -2.078 5.916
186 HG3 PRO 25 1HG PRO 25 5.690 -1.389 7.170
187 HD2 PRO 25 2HD PRO 25 5.759 -0.452 4.619
188 HD3 PRO 25 1HD PRO 25 5.391 0.577 6.017
189 HA PRO 26 HA PRO 26 11.503 -1.131 3.632
190 HB2 PRO 26 2HB PRO 26 13.883 -0.296 4.656
191 HB3 PRO 26 1HB PRO 26 12.875 0.710 3.609
192 HG2 PRO 26 2HG PRO 26 13.120 0.732 6.593
193 HG3 PRO 26 1HG PRO 26 13.046 2.100 5.466
194 HD2 PRO 26 2HD PRO 26 10.900 1.283 6.890
195 HD3 PRO 26 1HD PRO 26 10.752 1.968 5.259
196 H PHE 27 H PHE 27 13.886 -2.232 4.200
197 HA PHE 27 HA PHE 27 13.207 -4.579 5.614
198 HB2 PHE 27 2HB PHE 27 16.020 -3.718 4.958
199 HB3 PHE 27 1HB PHE 27 15.378 -5.350 5.070
200 HD1 PHE 27 1HD PHE 27 13.868 -6.208 3.298
201 HD2 PHE 27 2HD PHE 27 15.894 -2.481 2.945
202 HE1 PHE 27 1HE PHE 27 13.459 -6.218 0.871
203 HE2 PHE 27 2HE PHE 27 15.488 -2.486 0.519
204 HZ PHE 27 HZ PHE 27 14.269 -4.356 -0.520
205 H ASP 28 H ASP 28 12.525 -3.525 7.644
206 HA ASP 28 HA ASP 28 14.250 -2.178 9.368
207 HB2 ASP 28 2HB ASP 28 12.032 -4.030 10.237
208 HB3 ASP 28 1HB ASP 28 12.647 -2.615 11.083
209 HA PRO 29 HA PRO 29 17.202 -5.537 10.081
210 HB2 PRO 29 2HB PRO 29 17.910 -3.632 12.267
211 HB3 PRO 29 1HB PRO 29 18.963 -4.468 11.118
212 HG2 PRO 29 2HG PRO 29 18.393 -1.888 10.806
213 HG3 PRO 29 1HG PRO 29 18.505 -2.973 9.406
214 HD2 PRO 29 2HD PRO 29 16.094 -1.817 10.723
215 HD3 PRO 29 1HD PRO 29 16.376 -2.196 9.012
216 H ASP 30 H ASP 30 15.632 -7.030 10.843
217 HA ASP 30 HA ASP 30 14.721 -6.827 13.588
218 HB2 ASP 30 2HB ASP 30 13.523 -8.944 13.086
219 HB3 ASP 30 1HB ASP 30 13.149 -7.663 11.938
220 H SER 31 H SER 31 16.985 -8.725 11.687
221 HA SER 31 HA SER 31 18.654 -9.311 13.853
222 HB2 SER 31 2HB SER 31 16.504 -11.292 13.308
223 HB3 SER 31 1HB SER 31 18.118 -11.927 13.628
224 HG SER 31 HG SER 31 16.711 -10.108 15.295
225 H TYR 32 H TYR 32 17.621 -11.541 11.302
226 HA TYR 32 HA TYR 32 19.917 -10.855 9.664
227 HB2 TYR 32 2HB TYR 32 20.616 -13.291 9.565
228 HB3 TYR 32 1HB TYR 32 20.988 -12.449 11.067
229 HD1 TYR 32 2HD TYR 32 18.747 -14.918 9.488
230 HD2 TYR 32 1HD TYR 32 20.009 -13.129 13.135
231 HE1 TYR 32 2HE TYR 32 17.557 -16.662 10.748
232 HE2 TYR 32 1HE TYR 32 18.824 -14.868 14.406
233 HH TYR 32 HH TYR 32 17.868 -17.697 13.203
Start of MODEL 19
1 H1 SER 1 1HT SER 1 -19.034 1.375 -4.634
2 H2 SER 1 2HT SER 1 -20.575 1.446 -5.385
3 H3 SER 1 3HT SER 1 -19.172 1.919 -6.254
4 HA SER 1 HA SER 1 -19.918 -0.776 -5.344
5 HB2 SER 1 2HB SER 1 -19.935 0.742 -7.902
6 HB3 SER 1 1HB SER 1 -19.440 -0.948 -7.987
7 HG SER 1 HG SER 1 -21.445 -1.338 -6.725
8 H VAL 2 H VAL 2 -18.383 -2.297 -6.808
9 HA VAL 2 HA VAL 2 -15.773 -1.959 -5.677
10 HB VAL 2 HB VAL 2 -16.775 -4.186 -5.886
11 HG11 VAL 2 1HG1 VAL 2 -17.667 -3.435 -8.301
12 HG12 VAL 2 2HG1 VAL 2 -17.501 -5.121 -7.811
13 HG13 VAL 2 3HG1 VAL 2 -16.245 -4.357 -8.785
14 HG21 VAL 2 3HG2 VAL 2 -14.789 -5.232 -6.205
15 HG22 VAL 2 1HG2 VAL 2 -14.191 -3.572 -6.186
16 HG23 VAL 2 2HG2 VAL 2 -14.467 -4.395 -7.723
17 H GLN 3 H GLN 3 -14.392 -0.539 -6.518
18 HA GLN 3 HA GLN 3 -14.386 -0.018 -9.385
19 HB2 GLN 3 2HB GLN 3 -14.020 1.606 -7.179
20 HB3 GLN 3 1HB GLN 3 -12.384 1.388 -7.785
21 HG2 GLN 3 2HG GLN 3 -13.074 2.181 -9.978
22 HG3 GLN 3 1HG GLN 3 -14.729 2.365 -9.400
23 HE21 GLN 3 1HE2 GLN 3 -13.635 4.516 -10.482
24 HE22 GLN 3 2HE2 GLN 3 -13.200 5.682 -9.285
25 H ILE 4 H ILE 4 -11.887 0.578 -10.040
26 HA ILE 4 HA ILE 4 -10.473 -1.972 -9.722
27 HB ILE 4 HB ILE 4 -9.137 -1.001 -11.732
28 HG12 ILE 4 2HG1 ILE 4 -10.433 0.464 -13.193
29 HG13 ILE 4 1HG1 ILE 4 -11.730 0.530 -12.003
30 HG21 ILE 4 1HG2 ILE 4 -11.867 -2.207 -11.758
31 HG22 ILE 4 2HG2 ILE 4 -10.312 -2.949 -12.128
32 HG23 ILE 4 3HG2 ILE 4 -11.049 -1.829 -13.273
33 HD11 ILE 4 3HD1 ILE 4 -10.597 1.967 -10.650
34 HD12 ILE 4 1HD1 ILE 4 -9.949 2.449 -12.218
35 HD13 ILE 4 2HD1 ILE 4 -9.014 1.386 -11.168
36 H LEU 5 H LEU 5 -10.372 0.182 -7.756
37 HA LEU 5 HA LEU 5 -7.512 0.322 -7.481
38 HB2 LEU 5 2HB LEU 5 -7.661 2.872 -7.115
39 HB3 LEU 5 1HB LEU 5 -7.555 2.256 -8.753
40 HG LEU 5 HG LEU 5 -10.149 2.408 -8.728
41 HD11 LEU 5 1HD1 LEU 5 -10.889 2.973 -6.675
42 HD12 LEU 5 2HD1 LEU 5 -10.561 4.610 -7.245
43 HD13 LEU 5 3HD1 LEU 5 -9.382 3.777 -6.232
44 HD21 LEU 5 3HD2 LEU 5 -9.921 4.926 -9.236
45 HD22 LEU 5 1HD2 LEU 5 -9.030 3.776 -10.233
46 HD23 LEU 5 2HD2 LEU 5 -8.199 4.668 -8.959
47 H ARG 6 H ARG 6 -9.795 -0.779 -6.047
48 HA ARG 6 HA ARG 6 -10.519 0.724 -3.805
49 HB2 ARG 6 2HB ARG 6 -10.462 -2.176 -4.478
50 HB3 ARG 6 1HB ARG 6 -10.668 -1.734 -2.790
51 HG2 ARG 6 2HG ARG 6 -12.409 -0.737 -5.032
52 HG3 ARG 6 1HG ARG 6 -12.795 -2.110 -3.992
53 HD2 ARG 6 2HD ARG 6 -13.329 -0.795 -2.234
54 HD3 ARG 6 1HD ARG 6 -12.068 0.382 -2.599
55 HE ARG 6 HE ARG 6 -14.263 0.411 -4.459
56 HH11 ARG 6 1HH1 ARG 6 -13.066 1.642 -1.420
57 HH12 ARG 6 2HH1 ARG 6 -14.061 3.058 -1.460
58 HH21 ARG 6 1HH2 ARG 6 -15.572 2.274 -4.511
59 HH22 ARG 6 2HH2 ARG 6 -15.484 3.418 -3.213
60 H CYS 7 H CYS 7 -9.894 -0.476 -1.511
61 HA CYS 7 HA CYS 7 -6.954 -0.342 -1.357
62 HB2 CYS 7 2HB CYS 7 -8.950 0.682 0.672
63 HB3 CYS 7 1HB CYS 7 -7.200 0.703 0.860
64 HA PRO 8 HA PRO 8 -8.376 -4.472 0.254
65 HB2 PRO 8 2HB PRO 8 -5.819 -5.315 -0.948
66 HB3 PRO 8 1HB PRO 8 -7.438 -5.985 -1.168
67 HG2 PRO 8 2HG PRO 8 -6.220 -4.586 -3.107
68 HG3 PRO 8 1HG PRO 8 -7.972 -4.493 -2.849
69 HD2 PRO 8 2HD PRO 8 -5.829 -2.561 -2.040
70 HD3 PRO 8 1HD PRO 8 -7.444 -2.241 -2.706
71 H ASP 9 H ASP 9 -6.991 -6.070 1.562
72 HA ASP 9 HA ASP 9 -5.759 -4.637 3.681
73 HB2 ASP 9 2HB ASP 9 -5.244 -6.919 4.580
74 HB3 ASP 9 1HB ASP 9 -6.941 -6.675 4.178
75 H GLY 10 H GLY 10 -4.071 -3.502 2.549
76 HA2 GLY 10 2HA GLY 10 -1.536 -4.239 2.948
77 HA3 GLY 10 1HA GLY 10 -1.890 -5.081 1.447
78 H MET 11 H MET 11 -3.755 -2.764 0.746
79 HA MET 11 HA MET 11 -1.642 -1.063 -0.362
80 HB2 MET 11 2HB MET 11 -4.552 -1.304 -1.151
81 HB3 MET 11 1HB MET 11 -3.345 -0.321 -1.969
82 HG2 MET 11 2HG MET 11 -2.139 -2.730 -2.042
83 HG3 MET 11 1HG MET 11 -3.833 -3.216 -2.088
84 HE1 MET 11 3HE MET 11 -4.278 -4.125 -4.262
85 HE2 MET 11 1HE MET 11 -4.557 -3.102 -5.672
86 HE3 MET 11 2HE MET 11 -5.445 -2.805 -4.178
87 H GLN 12 H GLN 12 -1.263 0.826 0.569
88 HA GLN 12 HA GLN 12 -3.347 2.018 2.248
89 HB2 GLN 12 2HB GLN 12 -1.504 3.385 3.189
90 HB3 GLN 12 1HB GLN 12 -1.248 1.658 3.385
91 HG2 GLN 12 2HG GLN 12 0.734 1.868 2.439
92 HG3 GLN 12 1HG GLN 12 -0.051 2.371 0.943
93 HE21 GLN 12 1HE2 GLN 12 2.447 3.278 1.603
94 HE22 GLN 12 2HE2 GLN 12 2.376 4.965 1.967
95 H MET 13 H MET 13 -3.871 4.233 2.090
96 HA MET 13 HA MET 13 -4.069 5.218 -0.547
97 HB2 MET 13 2HB MET 13 -4.407 6.830 1.982
98 HB3 MET 13 1HB MET 13 -5.132 7.142 0.410
99 HG2 MET 13 2HG MET 13 -6.800 5.687 0.744
100 HG3 MET 13 1HG MET 13 -5.763 4.520 1.558
101 HE1 MET 13 3HE MET 13 -5.672 5.784 5.209
102 HE2 MET 13 1HE MET 13 -4.498 5.754 3.893
103 HE3 MET 13 2HE MET 13 -5.514 4.346 4.201
104 H LEU 14 H LEU 14 -3.160 7.135 -1.458
105 HA LEU 14 HA LEU 14 -0.559 7.880 -0.288
106 HB2 LEU 14 2HB LEU 14 0.390 8.048 -2.473
107 HB3 LEU 14 1HB LEU 14 -0.365 6.472 -2.326
108 HG LEU 14 HG LEU 14 -1.925 8.689 -3.575
109 HD11 LEU 14 1HD1 LEU 14 -0.898 7.704 -5.776
110 HD12 LEU 14 2HD1 LEU 14 0.475 7.356 -4.725
111 HD13 LEU 14 3HD1 LEU 14 -0.094 9.013 -4.911
112 HD21 LEU 14 3HD2 LEU 14 -1.864 5.963 -4.678
113 HD22 LEU 14 1HD2 LEU 14 -3.231 7.030 -4.352
114 HD23 LEU 14 2HD2 LEU 14 -2.500 6.105 -3.039
115 H ARG 15 H ARG 15 0.216 9.965 -1.690
116 HA ARG 15 HA ARG 15 -1.312 12.096 -0.731
117 HB2 ARG 15 2HB ARG 15 0.767 12.051 -2.923
118 HB3 ARG 15 1HB ARG 15 0.129 13.515 -2.187
119 HG2 ARG 15 2HG ARG 15 1.090 12.978 -0.083
120 HG3 ARG 15 1HG ARG 15 1.512 11.352 -0.623
121 HD2 ARG 15 2HD ARG 15 3.373 13.109 -0.544
122 HD3 ARG 15 1HD ARG 15 3.232 12.125 -1.997
123 HE ARG 15 HE ARG 15 2.649 14.966 -1.738
124 HH11 ARG 15 1HH1 ARG 15 2.564 12.102 -3.740
125 HH12 ARG 15 2HH1 ARG 15 2.393 12.990 -5.214
126 HH21 ARG 15 1HH2 ARG 15 2.424 16.129 -3.680
127 HH22 ARG 15 2HH2 ARG 15 2.313 15.274 -5.181
128 H SER 16 H SER 16 -1.179 10.631 -3.943
129 HA SER 16 HA SER 16 -2.777 12.488 -5.293
130 HB2 SER 16 2HB SER 16 -2.020 9.636 -5.740
131 HB3 SER 16 1HB SER 16 -3.341 10.303 -6.695
132 HG SER 16 HG SER 16 -0.741 10.613 -7.069
133 H GLY 17 H GLY 17 -3.605 9.828 -3.184
134 HA2 GLY 17 2HA GLY 17 -5.770 10.158 -2.007
135 HA3 GLY 17 1HA GLY 17 -6.461 10.474 -3.590
136 H GLN 18 H GLN 18 -5.036 8.390 -4.957
137 HA GLN 18 HA GLN 18 -6.825 6.253 -4.557
138 HB2 GLN 18 2HB GLN 18 -4.944 6.982 -6.488
139 HB3 GLN 18 1HB GLN 18 -4.364 5.442 -5.869
140 HG2 GLN 18 2HG GLN 18 -5.801 5.138 -7.803
141 HG3 GLN 18 1HG GLN 18 -6.512 4.416 -6.361
142 HE21 GLN 18 1HE2 GLN 18 -8.356 5.318 -5.470
143 HE22 GLN 18 2HE2 GLN 18 -9.326 6.471 -6.315
144 H CYS 19 H CYS 19 -5.320 3.937 -4.650
145 HA CYS 19 HA CYS 19 -3.914 3.933 -2.064
146 HB2 CYS 19 2HB CYS 19 -6.251 2.383 -2.939
147 HB3 CYS 19 1HB CYS 19 -4.972 1.410 -2.224
148 H VAL 20 H VAL 20 -1.869 3.358 -2.328
149 HA VAL 20 HA VAL 20 -1.132 1.687 -4.621
150 HB VAL 20 HB VAL 20 0.725 3.197 -2.782
151 HG11 VAL 20 1HG1 VAL 20 2.218 3.008 -4.830
152 HG12 VAL 20 2HG1 VAL 20 1.068 1.812 -5.428
153 HG13 VAL 20 3HG1 VAL 20 1.933 1.526 -3.918
154 HG21 VAL 20 3HG2 VAL 20 -0.409 4.962 -3.706
155 HG22 VAL 20 1HG2 VAL 20 -0.811 4.078 -5.178
156 HG23 VAL 20 2HG2 VAL 20 0.822 4.698 -4.941
157 H ALA 21 H ALA 21 0.422 -0.034 -4.339
158 HA ALA 21 HA ALA 21 -0.217 -1.720 -2.140
159 HB1 ALA 21 1HB ALA 21 0.802 -3.365 -3.311
160 HB2 ALA 21 2HB ALA 21 2.170 -2.349 -3.762
161 HB3 ALA 21 3HB ALA 21 0.642 -2.205 -4.630
162 H THR 22 H THR 22 0.847 -2.117 -0.281
163 HA THR 22 HA THR 22 2.765 -0.258 0.656
164 HB THR 22 HB THR 22 1.200 -1.368 2.168
165 HG1 THR 22 1HG THR 22 3.873 -2.118 2.742
166 HG21 THR 22 3HG2 THR 22 2.728 -3.896 2.182
167 HG22 THR 22 1HG2 THR 22 1.569 -3.656 0.874
168 HG23 THR 22 2HG2 THR 22 1.032 -3.587 2.553
169 H THR 23 H THR 23 4.673 -0.216 -0.420
170 HA THR 23 HA THR 23 6.138 -2.742 -0.732
171 HB THR 23 HB THR 23 6.979 -0.137 -1.965
172 HG1 THR 23 1HG THR 23 5.232 -0.145 -3.098
173 HG21 THR 23 3HG2 THR 23 7.663 -1.709 -3.816
174 HG22 THR 23 1HG2 THR 23 7.351 -3.024 -2.684
175 HG23 THR 23 2HG2 THR 23 8.582 -1.817 -2.314
176 H GLU 24 H GLU 24 5.882 -1.291 1.793
177 HA GLU 24 HA GLU 24 8.434 -0.043 2.271
178 HB2 GLU 24 2HB GLU 24 6.413 -0.869 4.347
179 HB3 GLU 24 1HB GLU 24 7.623 0.398 4.453
180 HG2 GLU 24 2HG GLU 24 6.162 1.214 2.308
181 HG3 GLU 24 1HG GLU 24 4.934 0.458 3.323
182 HA PRO 25 HA PRO 25 10.594 -3.692 3.519
183 HB2 PRO 25 2HB PRO 25 12.455 -2.634 5.169
184 HB3 PRO 25 1HB PRO 25 12.497 -2.401 3.417
185 HG2 PRO 25 2HG PRO 25 11.507 -0.549 5.552
186 HG3 PRO 25 1HG PRO 25 12.492 -0.184 4.124
187 HD2 PRO 25 2HD PRO 25 9.812 0.268 4.230
188 HD3 PRO 25 1HD PRO 25 10.665 -0.125 2.725
189 HA PRO 26 HA PRO 26 8.135 -4.643 7.230
190 HB2 PRO 26 2HB PRO 26 9.593 -7.209 6.815
191 HB3 PRO 26 1HB PRO 26 7.872 -6.925 7.101
192 HG2 PRO 26 2HG PRO 26 8.755 -7.547 4.669
193 HG3 PRO 26 1HG PRO 26 7.463 -6.352 4.890
194 HD2 PRO 26 2HD PRO 26 10.347 -5.931 4.243
195 HD3 PRO 26 1HD PRO 26 8.921 -5.037 3.680
196 H PHE 27 H PHE 27 8.891 -6.104 9.246
197 HA PHE 27 HA PHE 27 11.354 -4.837 10.181
198 HB2 PHE 27 2HB PHE 27 8.998 -4.855 11.398
199 HB3 PHE 27 1HB PHE 27 9.582 -6.402 12.002
200 HD1 PHE 27 2HD PHE 27 10.957 -2.963 11.508
201 HD2 PHE 27 1HD PHE 27 10.547 -6.336 14.072
202 HE1 PHE 27 2HE PHE 27 12.244 -1.793 13.249
203 HE2 PHE 27 1HE PHE 27 11.831 -5.170 15.816
204 HZ PHE 27 HZ PHE 27 12.682 -2.896 15.407
205 H ASP 28 H ASP 28 11.363 -7.155 8.399
206 HA ASP 28 HA ASP 28 12.261 -9.349 10.081
207 HB2 ASP 28 2HB ASP 28 11.472 -9.025 7.256
208 HB3 ASP 28 1HB ASP 28 12.773 -10.178 7.540
209 HA PRO 29 HA PRO 29 16.403 -8.471 7.881
210 HB2 PRO 29 2HB PRO 29 16.600 -6.572 5.992
211 HB3 PRO 29 1HB PRO 29 15.992 -8.192 5.622
212 HG2 PRO 29 2HG PRO 29 14.467 -5.661 6.097
213 HG3 PRO 29 1HG PRO 29 14.207 -6.908 4.865
214 HD2 PRO 29 2HD PRO 29 12.762 -6.737 7.181
215 HD3 PRO 29 1HD PRO 29 13.034 -8.253 6.300
216 H ASP 30 H ASP 30 18.159 -6.814 7.996
217 HA ASP 30 HA ASP 30 17.740 -4.191 8.874
218 HB2 ASP 30 2HB ASP 30 16.898 -5.740 10.853
219 HB3 ASP 30 1HB ASP 30 18.619 -5.814 11.219
220 H SER 31 H SER 31 19.858 -6.870 9.863
221 HA SER 31 HA SER 31 22.041 -6.127 8.278
222 HB2 SER 31 2HB SER 31 23.444 -5.409 10.441
223 HB3 SER 31 1HB SER 31 22.599 -4.230 9.439
224 HG SER 31 HG SER 31 21.497 -5.456 11.747
225 H TYR 32 H TYR 32 21.008 -7.512 11.348
226 HA TYR 32 HA TYR 32 23.193 -9.328 11.575
227 HB2 TYR 32 2HB TYR 32 21.141 -8.487 13.236
228 HB3 TYR 32 1HB TYR 32 20.741 -10.171 12.915
229 HD1 TYR 32 2HD TYR 32 22.974 -11.745 13.013
230 HD2 TYR 32 1HD TYR 32 22.367 -8.109 15.141
231 HE1 TYR 32 2HE TYR 32 24.625 -12.456 14.690
232 HE2 TYR 32 1HE TYR 32 24.018 -8.812 16.822
233 HH TYR 32 HH TYR 32 26.044 -10.416 16.857
Start of MODEL 20
1 H1 SER 1 1HT SER 1 -16.510 5.039 -1.045
2 H2 SER 1 2HT SER 1 -16.482 3.328 -0.912
3 H3 SER 1 3HT SER 1 -17.970 4.148 -1.154
4 HA SER 1 HA SER 1 -17.424 3.255 -3.188
5 HB2 SER 1 2HB SER 1 -18.220 5.550 -3.284
6 HB3 SER 1 1HB SER 1 -16.588 6.162 -3.027
7 HG SER 1 HG SER 1 -16.008 5.236 -5.034
8 H VAL 2 H VAL 2 -15.596 1.805 -2.562
9 HA VAL 2 HA VAL 2 -12.911 2.616 -2.717
10 HB VAL 2 HB VAL 2 -12.492 0.152 -3.198
11 HG11 VAL 2 1HG1 VAL 2 -13.388 -0.503 -0.874
12 HG12 VAL 2 2HG1 VAL 2 -13.923 1.175 -0.777
13 HG13 VAL 2 3HG1 VAL 2 -12.211 0.805 -0.985
14 HG21 VAL 2 3HG2 VAL 2 -14.256 -1.394 -3.094
15 HG22 VAL 2 1HG2 VAL 2 -14.816 -0.137 -4.197
16 HG23 VAL 2 2HG2 VAL 2 -15.401 -0.175 -2.533
17 H GLN 3 H GLN 3 -11.636 3.070 -4.394
18 HA GLN 3 HA GLN 3 -12.609 3.325 -7.006
19 HB2 GLN 3 2HB GLN 3 -9.901 3.423 -5.751
20 HB3 GLN 3 1HB GLN 3 -10.012 3.348 -7.505
21 HG2 GLN 3 2HG GLN 3 -10.065 5.582 -7.333
22 HG3 GLN 3 1HG GLN 3 -11.778 5.313 -7.011
23 HE21 GLN 3 1HE2 GLN 3 -12.321 6.794 -5.561
24 HE22 GLN 3 2HE2 GLN 3 -11.507 7.084 -4.065
25 H ILE 4 H ILE 4 -11.065 2.297 -8.852
26 HA ILE 4 HA ILE 4 -11.448 -0.601 -8.569
27 HB ILE 4 HB ILE 4 -12.653 0.520 -10.420
28 HG12 ILE 4 2HG1 ILE 4 -11.027 -1.023 -12.155
29 HG13 ILE 4 1HG1 ILE 4 -10.964 -1.795 -10.573
30 HG21 ILE 4 1HG2 ILE 4 -10.455 2.034 -10.748
31 HG22 ILE 4 2HG2 ILE 4 -11.682 1.809 -11.995
32 HG23 ILE 4 3HG2 ILE 4 -10.206 0.846 -12.027
33 HD11 ILE 4 3HD1 ILE 4 -12.749 -2.694 -11.978
34 HD12 ILE 4 1HD1 ILE 4 -13.480 -1.092 -12.066
35 HD13 ILE 4 2HD1 ILE 4 -13.380 -1.931 -10.519
36 H LEU 5 H LEU 5 -9.132 0.803 -7.499
37 HA LEU 5 HA LEU 5 -7.093 -0.885 -8.618
38 HB2 LEU 5 2HB LEU 5 -7.161 1.185 -10.090
39 HB3 LEU 5 1HB LEU 5 -6.596 2.084 -8.695
40 HG LEU 5 HG LEU 5 -4.688 0.241 -8.719
41 HD11 LEU 5 1HD1 LEU 5 -4.069 -0.286 -11.054
42 HD12 LEU 5 2HD1 LEU 5 -5.621 0.361 -11.582
43 HD13 LEU 5 3HD1 LEU 5 -5.567 -1.064 -10.542
44 HD21 LEU 5 3HD2 LEU 5 -3.549 1.849 -10.484
45 HD22 LEU 5 1HD2 LEU 5 -3.907 2.377 -8.840
46 HD23 LEU 5 2HD2 LEU 5 -4.988 2.818 -10.162
47 H ARG 6 H ARG 6 -8.440 -0.383 -6.053
48 HA ARG 6 HA ARG 6 -6.849 1.002 -4.238
49 HB2 ARG 6 2HB ARG 6 -8.062 -0.085 -2.539
50 HB3 ARG 6 1HB ARG 6 -9.175 0.018 -3.893
51 HG2 ARG 6 2HG ARG 6 -7.562 -2.428 -3.194
52 HG3 ARG 6 1HG ARG 6 -9.237 -2.153 -2.710
53 HD2 ARG 6 2HD ARG 6 -8.225 -2.292 -5.549
54 HD3 ARG 6 1HD ARG 6 -9.080 -3.578 -4.699
55 HE ARG 6 HE ARG 6 -10.224 -1.220 -5.881
56 HH11 ARG 6 1HH1 ARG 6 -10.655 -3.714 -3.479
57 HH12 ARG 6 2HH1 ARG 6 -12.380 -3.561 -3.448
58 HH21 ARG 6 1HH2 ARG 6 -12.492 -1.017 -5.842
59 HH22 ARG 6 2HH2 ARG 6 -13.423 -2.031 -4.791
60 H CYS 7 H CYS 7 -5.480 0.080 -2.512
61 HA CYS 7 HA CYS 7 -3.603 -1.836 -3.661
62 HB2 CYS 7 2HB CYS 7 -3.400 0.047 -1.308
63 HB3 CYS 7 1HB CYS 7 -2.145 -1.110 -1.735
64 HA PRO 8 HA PRO 8 -4.628 -5.372 -1.269
65 HB2 PRO 8 2HB PRO 8 -1.810 -5.354 -0.305
66 HB3 PRO 8 1HB PRO 8 -2.736 -6.661 -1.050
67 HG2 PRO 8 2HG PRO 8 -0.890 -5.316 -2.436
68 HG3 PRO 8 1HG PRO 8 -2.395 -5.866 -3.193
69 HD2 PRO 8 2HD PRO 8 -1.584 -3.126 -2.364
70 HD3 PRO 8 1HD PRO 8 -2.628 -3.642 -3.701
71 H ASP 9 H ASP 9 -4.220 -6.323 1.024
72 HA ASP 9 HA ASP 9 -5.256 -4.529 2.909
73 HB2 ASP 9 2HB ASP 9 -4.641 -6.344 4.576
74 HB3 ASP 9 1HB ASP 9 -5.675 -6.843 3.241
75 H GLY 10 H GLY 10 -4.359 -3.249 4.437
76 HA2 GLY 10 2HA GLY 10 -2.664 -2.481 5.881
77 HA3 GLY 10 1HA GLY 10 -1.500 -3.458 4.998
78 H MET 11 H MET 11 -3.143 -2.042 2.603
79 HA MET 11 HA MET 11 -1.329 0.275 2.544
80 HB2 MET 11 2HB MET 11 -2.545 -1.200 0.204
81 HB3 MET 11 1HB MET 11 -1.382 0.116 0.114
82 HG2 MET 11 2HG MET 11 0.160 -1.417 1.470
83 HG3 MET 11 1HG MET 11 -0.962 -2.703 1.029
84 HE1 MET 11 3HE MET 11 2.560 -2.388 -0.438
85 HE2 MET 11 1HE MET 11 1.715 -3.790 -1.095
86 HE3 MET 11 2HE MET 11 1.499 -3.344 0.597
87 H GLN 12 H GLN 12 -2.172 2.260 2.397
88 HA GLN 12 HA GLN 12 -5.077 2.475 1.967
89 HB2 GLN 12 2HB GLN 12 -3.169 3.897 3.748
90 HB3 GLN 12 1HB GLN 12 -4.495 4.839 3.079
91 HG2 GLN 12 2HG GLN 12 -5.510 4.127 4.965
92 HG3 GLN 12 1HG GLN 12 -5.892 2.750 3.934
93 HE21 GLN 12 1HE2 GLN 12 -4.706 3.652 6.871
94 HE22 GLN 12 2HE2 GLN 12 -3.851 2.209 7.290
95 H MET 13 H MET 13 -5.071 2.677 -0.265
96 HA MET 13 HA MET 13 -3.439 4.720 -1.521
97 HB2 MET 13 2HB MET 13 -4.167 2.366 -2.462
98 HB3 MET 13 1HB MET 13 -5.600 3.249 -2.971
99 HG2 MET 13 2HG MET 13 -4.094 4.864 -4.135
100 HG3 MET 13 1HG MET 13 -2.747 3.790 -3.753
101 HE1 MET 13 3HE MET 13 -2.145 1.683 -5.826
102 HE2 MET 13 1HE MET 13 -1.876 3.422 -5.712
103 HE3 MET 13 2HE MET 13 -2.571 2.732 -7.179
104 H LEU 14 H LEU 14 -4.347 6.419 -2.839
105 HA LEU 14 HA LEU 14 -6.969 7.328 -1.842
106 HB2 LEU 14 2HB LEU 14 -5.988 9.644 -2.520
107 HB3 LEU 14 1HB LEU 14 -5.548 8.917 -0.986
108 HG LEU 14 HG LEU 14 -3.801 8.455 -3.367
109 HD11 LEU 14 1HD1 LEU 14 -2.935 10.521 -3.435
110 HD12 LEU 14 2HD1 LEU 14 -3.064 10.741 -1.690
111 HD13 LEU 14 3HD1 LEU 14 -4.471 11.009 -2.718
112 HD21 LEU 14 3HD2 LEU 14 -3.666 7.468 -0.909
113 HD22 LEU 14 1HD2 LEU 14 -2.831 8.994 -0.614
114 HD23 LEU 14 2HD2 LEU 14 -2.220 7.875 -1.833
115 H ARG 15 H ARG 15 -8.174 8.743 -3.326
116 HA ARG 15 HA ARG 15 -8.607 7.556 -5.802
117 HB2 ARG 15 2HB ARG 15 -10.187 9.061 -4.538
118 HB3 ARG 15 1HB ARG 15 -9.247 10.428 -5.121
119 HG2 ARG 15 2HG ARG 15 -9.827 9.957 -7.385
120 HG3 ARG 15 1HG ARG 15 -10.568 8.421 -6.932
121 HD2 ARG 15 2HD ARG 15 -12.478 9.605 -6.951
122 HD3 ARG 15 1HD ARG 15 -11.947 10.139 -5.356
123 HE ARG 15 HE ARG 15 -11.727 12.235 -6.213
124 HH11 ARG 15 1HH1 ARG 15 -11.552 9.962 -8.856
125 HH12 ARG 15 2HH1 ARG 15 -11.474 11.192 -10.073
126 HH21 ARG 15 1HH2 ARG 15 -11.624 13.854 -7.812
127 HH22 ARG 15 2HH2 ARG 15 -11.514 13.401 -9.480
128 H SER 16 H SER 16 -6.417 10.111 -4.879
129 HA SER 16 HA SER 16 -5.871 11.194 -7.405
130 HB2 SER 16 2HB SER 16 -4.532 11.163 -4.764
131 HB3 SER 16 1HB SER 16 -3.494 11.502 -6.149
132 HG SER 16 HG SER 16 -4.356 13.404 -6.276
133 H GLY 17 H GLY 17 -4.647 8.330 -5.779
134 HA2 GLY 17 2HA GLY 17 -4.068 6.554 -7.494
135 HA3 GLY 17 1HA GLY 17 -2.972 7.762 -8.145
136 H GLN 18 H GLN 18 -2.325 8.706 -5.387
137 HA GLN 18 HA GLN 18 -0.002 7.211 -4.973
138 HB2 GLN 18 2HB GLN 18 -1.521 9.127 -3.217
139 HB3 GLN 18 1HB GLN 18 -0.037 8.356 -2.674
140 HG2 GLN 18 2HG GLN 18 1.168 9.340 -4.552
141 HG3 GLN 18 1HG GLN 18 -0.321 10.106 -5.107
142 HE21 GLN 18 1HE2 GLN 18 2.127 11.404 -4.408
143 HE22 GLN 18 2HE2 GLN 18 1.788 12.454 -3.077
144 H CYS 19 H CYS 19 0.570 5.637 -3.498
145 HA CYS 19 HA CYS 19 -1.667 4.275 -2.150
146 HB2 CYS 19 2HB CYS 19 -0.782 2.993 -4.073
147 HB3 CYS 19 1HB CYS 19 0.814 3.008 -3.331
148 H VAL 20 H VAL 20 -1.527 4.568 -0.029
149 HA VAL 20 HA VAL 20 1.022 5.094 1.242
150 HB VAL 20 HB VAL 20 -1.689 4.827 2.547
151 HG11 VAL 20 1HG1 VAL 20 0.681 4.816 3.784
152 HG12 VAL 20 2HG1 VAL 20 -0.757 5.569 4.475
153 HG13 VAL 20 3HG1 VAL 20 0.444 6.558 3.645
154 HG21 VAL 20 3HG2 VAL 20 -0.607 7.519 2.179
155 HG22 VAL 20 1HG2 VAL 20 -2.243 6.909 1.931
156 HG23 VAL 20 2HG2 VAL 20 -1.027 6.707 0.670
157 H ALA 21 H ALA 21 1.409 2.703 0.318
158 HA ALA 21 HA ALA 21 0.444 0.512 1.789
159 HB1 ALA 21 1HB ALA 21 1.616 0.449 -0.443
160 HB2 ALA 21 2HB ALA 21 2.119 -0.777 0.721
161 HB3 ALA 21 3HB ALA 21 3.130 0.641 0.442
162 H THR 22 H THR 22 0.900 -0.216 3.764
163 HA THR 22 HA THR 22 2.971 1.126 5.303
164 HB THR 22 HB THR 22 1.195 -1.014 6.418
165 HG1 THR 22 1HG THR 22 -0.484 0.364 6.554
166 HG21 THR 22 3HG2 THR 22 1.158 0.515 8.369
167 HG22 THR 22 1HG2 THR 22 2.317 1.544 7.530
168 HG23 THR 22 2HG2 THR 22 2.760 -0.105 7.971
169 H THR 23 H THR 23 3.637 -0.832 3.192
170 HA THR 23 HA THR 23 5.600 -2.309 4.675
171 HB THR 23 HB THR 23 3.756 -3.852 4.942
172 HG1 THR 23 1HG THR 23 5.673 -4.887 4.535
173 HG21 THR 23 3HG2 THR 23 3.188 -4.864 2.439
174 HG22 THR 23 1HG2 THR 23 3.126 -3.115 2.219
175 HG23 THR 23 2HG2 THR 23 2.122 -3.886 3.447
176 H GLU 24 H GLU 24 5.613 -0.292 2.655
177 HA GLU 24 HA GLU 24 6.007 -1.197 0.060
178 HB2 GLU 24 2HB GLU 24 6.604 1.205 1.583
179 HB3 GLU 24 1HB GLU 24 7.840 0.877 0.376
180 HG2 GLU 24 2HG GLU 24 6.359 1.083 -1.389
181 HG3 GLU 24 1HG GLU 24 4.950 0.803 -0.368
182 HA PRO 25 HA PRO 25 10.713 -1.739 0.908
183 HB2 PRO 25 2HB PRO 25 11.604 -1.548 3.461
184 HB3 PRO 25 1HB PRO 25 11.477 -0.153 2.383
185 HG2 PRO 25 2HG PRO 25 9.601 -1.064 4.531
186 HG3 PRO 25 1HG PRO 25 10.161 0.577 4.156
187 HD2 PRO 25 2HD PRO 25 7.741 -0.355 3.370
188 HD3 PRO 25 1HD PRO 25 8.666 0.825 2.420
189 HA PRO 26 HA PRO 26 9.548 -5.902 2.310
190 HB2 PRO 26 2HB PRO 26 10.928 -7.259 0.451
191 HB3 PRO 26 1HB PRO 26 9.402 -6.454 0.070
192 HG2 PRO 26 2HG PRO 26 12.205 -5.546 -0.455
193 HG3 PRO 26 1HG PRO 26 10.786 -5.463 -1.514
194 HD2 PRO 26 2HD PRO 26 11.713 -3.347 -0.041
195 HD3 PRO 26 1HD PRO 26 10.019 -3.538 -0.536
196 H PHE 27 H PHE 27 10.535 -6.958 3.920
197 HA PHE 27 HA PHE 27 13.377 -7.471 3.852
198 HB2 PHE 27 2HB PHE 27 12.384 -5.213 5.271
199 HB3 PHE 27 1HB PHE 27 12.895 -6.408 6.459
200 HD1 PHE 27 2HD PHE 27 13.992 -4.323 3.634
201 HD2 PHE 27 1HD PHE 27 15.194 -6.917 6.786
202 HE1 PHE 27 2HE PHE 27 16.331 -3.643 3.296
203 HE2 PHE 27 1HE PHE 27 17.537 -6.240 6.455
204 HZ PHE 27 HZ PHE 27 18.108 -4.602 4.708
205 H ASP 28 H ASP 28 13.012 -9.640 3.969
206 HA ASP 28 HA ASP 28 11.118 -10.904 5.608
207 HB2 ASP 28 2HB ASP 28 13.366 -11.715 3.920
208 HB3 ASP 28 1HB ASP 28 13.127 -12.778 5.304
209 HA PRO 29 HA PRO 29 14.967 -11.687 8.625
210 HB2 PRO 29 2HB PRO 29 16.327 -9.103 8.028
211 HB3 PRO 29 1HB PRO 29 17.024 -10.675 8.442
212 HG2 PRO 29 2HG PRO 29 17.090 -9.780 5.936
213 HG3 PRO 29 1HG PRO 29 16.794 -11.495 6.285
214 HD2 PRO 29 2HD PRO 29 14.873 -9.370 5.447
215 HD3 PRO 29 1HD PRO 29 14.908 -11.093 5.024
216 H ASP 30 H ASP 30 13.088 -11.276 9.914
217 HA ASP 30 HA ASP 30 12.739 -8.526 10.848
218 HB2 ASP 30 2HB ASP 30 10.866 -10.346 10.148
219 HB3 ASP 30 1HB ASP 30 10.967 -10.663 11.877
220 H SER 31 H SER 31 15.074 -9.952 11.636
221 HA SER 31 HA SER 31 14.892 -9.598 14.472
222 HB2 SER 31 2HB SER 31 14.018 -11.971 14.026
223 HB3 SER 31 1HB SER 31 15.677 -12.370 13.581
224 HG SER 31 HG SER 31 15.928 -12.658 15.645
225 H TYR 32 H TYR 32 16.404 -8.465 12.334
226 HA TYR 32 HA TYR 32 18.521 -7.816 11.815
227 HB2 TYR 32 2HB TYR 32 18.644 -7.287 14.189
228 HB3 TYR 32 1HB TYR 32 19.079 -8.950 14.563
229 HD1 TYR 32 2HD TYR 32 20.310 -6.410 12.103
230 HD2 TYR 32 1HD TYR 32 21.274 -9.131 15.229
231 HE1 TYR 32 2HE TYR 32 22.688 -5.836 11.862
232 HE2 TYR 32 1HE TYR 32 23.656 -8.563 14.996
233 HH TYR 32 HH TYR 32 25.166 -7.651 13.216