Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
518987 | 2kn0 RC | 17247 | cing | 1-original | 26 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 5 HT1 SER 5 -15.281 -10.060 1.523
2 H2 SER 5 HT2 SER 5 -16.741 -9.693 0.700
3 H3 SER 5 HT3 SER 5 -16.679 -9.625 2.414
4 HA SER 5 HA SER 5 -16.641 -7.455 1.378
5 HB2 SER 5 HB2 SER 5 -15.532 -8.115 3.592
6 HB3 SER 5 HB1 SER 5 -14.006 -8.094 2.708
7 HG SER 5 HG SER 5 -15.734 -5.972 3.335
8 H GLN 6 HN GLN 6 -15.674 -5.985 0.004
9 HA GLN 6 HA GLN 6 -13.851 -7.149 -1.969
10 HB2 GLN 6 HB2 GLN 6 -15.803 -4.884 -1.998
11 HB3 GLN 6 HB1 GLN 6 -14.460 -4.864 -3.133
12 HG2 GLN 6 HG2 GLN 6 -15.258 -6.624 -4.331
13 HG3 GLN 6 HG1 GLN 6 -16.069 -7.346 -2.942
14 HE21 GLN 6 HE21 GLN 6 -17.037 -6.767 -5.660
15 HE22 GLN 6 HE22 GLN 6 -18.442 -5.784 -5.454
16 H GLY 7 HN GLY 7 -12.957 -6.253 0.684
17 HA2 GLY 7 HA2 GLY 7 -11.170 -4.048 -0.139
18 HA3 GLY 7 HA1 GLY 7 -11.699 -4.315 1.515
19 H GLU 8 HN GLU 8 -10.537 -6.700 -0.828
20 HA GLU 8 HA GLU 8 -8.390 -7.370 1.063
21 HB2 GLU 8 HB2 GLU 8 -8.382 -9.593 0.081
22 HB3 GLU 8 HB1 GLU 8 -10.009 -9.173 0.598
23 HG2 GLU 8 HG2 GLU 8 -10.703 -8.766 -1.638
24 HG3 GLU 8 HG1 GLU 8 -9.048 -8.879 -2.234
25 H CYS 9 HN CYS 9 -8.158 -5.201 -0.741
26 HA CYS 9 HA CYS 9 -6.645 -5.968 -3.036
27 HB2 CYS 9 HB2 CYS 9 -7.056 -3.328 -1.633
28 HB3 CYS 9 HB1 CYS 9 -6.057 -3.490 -3.072
29 HA PRO 10 HA PRO 10 -2.847 -6.820 -0.839
30 HB2 PRO 10 HB2 PRO 10 -1.223 -6.919 -3.040
31 HB3 PRO 10 HB1 PRO 10 -2.262 -8.251 -2.521
32 HG2 PRO 10 HG2 PRO 10 -2.741 -6.188 -4.636
33 HG3 PRO 10 HG1 PRO 10 -3.061 -7.932 -4.681
34 HD2 PRO 10 HD2 PRO 10 -5.021 -6.149 -4.239
35 HD3 PRO 10 HD1 PRO 10 -5.005 -7.734 -3.438
36 H GLU 11 HN GLU 11 -0.476 -5.977 -1.069
37 HA GLU 11 HA GLU 11 -0.511 -3.213 -0.519
38 HB2 GLU 11 HB2 GLU 11 1.431 -5.385 -0.491
39 HB3 GLU 11 HB1 GLU 11 2.145 -3.863 -1.005
40 HG2 GLU 11 HG2 GLU 11 1.096 -2.837 1.057
41 HG3 GLU 11 HG1 GLU 11 0.767 -4.487 1.585
42 H GLY 12 HN GLY 12 1.472 -1.924 -1.639
43 HA2 GLY 12 HA2 GLY 12 1.947 -0.624 -3.480
44 HA3 GLY 12 HA1 GLY 12 2.100 -2.170 -4.304
45 H ARG 13 HN ARG 13 -0.871 -0.991 -2.892
46 HA ARG 13 HA ARG 13 -1.968 0.067 -5.304
47 HB2 ARG 13 HB2 ARG 13 -2.754 -1.790 -6.241
48 HB3 ARG 13 HB1 ARG 13 -1.993 -2.734 -4.969
49 HG2 ARG 13 HG2 ARG 13 -4.119 -2.075 -3.614
50 HG3 ARG 13 HG1 ARG 13 -4.796 -1.807 -5.220
51 HD2 ARG 13 HD2 ARG 13 -3.368 -4.294 -5.188
52 HD3 ARG 13 HD1 ARG 13 -4.509 -4.259 -3.847
53 HE ARG 13 HE ARG 13 -6.223 -4.418 -5.352
54 HH11 ARG 13 HH11 ARG 13 -3.317 -3.500 -7.050
55 HH12 ARG 13 HH12 ARG 13 -4.032 -3.662 -8.619
56 HH21 ARG 13 HH21 ARG 13 -7.167 -4.632 -7.414
57 HH22 ARG 13 HH22 ARG 13 -6.218 -4.304 -8.826
58 H ALA 14 HN ALA 14 -4.460 0.324 -5.033
59 HA ALA 14 HA ALA 14 -5.312 0.395 -2.282
60 HB1 ALA 14 HB1 ALA 14 -4.523 2.810 -3.767
61 HB2 ALA 14 HB2 ALA 14 -4.526 2.490 -2.033
62 HB3 ALA 14 HB3 ALA 14 -6.029 2.910 -2.854
63 H TYR 15 HN TYR 15 -7.588 1.219 -2.085
64 HA TYR 15 HA TYR 15 -9.155 0.667 -4.513
65 HB2 TYR 15 HB2 TYR 15 -9.368 -1.278 -3.105
66 HB3 TYR 15 HB1 TYR 15 -9.687 -0.281 -1.691
67 HD1 TYR 15 HD2 TYR 15 -11.089 -1.461 -4.901
68 HD2 TYR 15 HD1 TYR 15 -11.883 0.501 -1.211
69 HE1 TYR 15 HE2 TYR 15 -13.502 -1.628 -5.339
70 HE2 TYR 15 HE1 TYR 15 -14.299 0.339 -1.638
71 HH TYR 15 HH TYR 15 -15.605 -1.623 -4.093
72 H SER 16 HN SER 16 -10.472 2.299 -5.056
73 HA SER 16 HA SER 16 -10.906 4.422 -3.093
74 HB2 SER 16 HB2 SER 16 -11.996 5.148 -5.614
75 HB3 SER 16 HB1 SER 16 -10.538 5.772 -4.839
76 HG SER 16 HG SER 16 -9.392 4.032 -5.804
77 H GLN 17 HN GLN 17 -12.673 4.243 -1.899
78 HA GLN 17 HA GLN 17 -14.915 2.685 -2.568
79 HB2 GLN 17 HB2 GLN 17 -14.346 4.742 -0.470
80 HB3 GLN 17 HB1 GLN 17 -15.990 4.157 -0.685
81 HG2 GLN 17 HG2 GLN 17 -13.983 2.039 -0.522
82 HG3 GLN 17 HG1 GLN 17 -14.112 3.031 0.930
83 HE21 GLN 17 HE21 GLN 17 -15.009 1.419 2.169
84 HE22 GLN 17 HE22 GLN 17 -16.616 0.831 1.927
85 H ASP 18 HN ASP 18 -14.101 6.007 -3.135
86 HA ASP 18 HA ASP 18 -16.671 6.980 -3.760
87 HB2 ASP 18 HB2 ASP 18 -14.497 8.301 -3.342
88 HB3 ASP 18 HB1 ASP 18 -14.140 7.995 -5.039
89 H LEU 19 HN LEU 19 -14.029 5.906 -5.893
90 HA LEU 19 HA LEU 19 -15.638 5.974 -8.233
91 HB2 LEU 19 HB2 LEU 19 -12.899 5.035 -7.551
92 HB3 LEU 19 HB1 LEU 19 -13.625 4.447 -9.034
93 HG LEU 19 HG LEU 19 -13.650 7.384 -8.552
94 HD11 LEU 19 HD11 LEU 19 -11.446 7.751 -8.874
95 HD12 LEU 19 HD12 LEU 19 -11.239 6.310 -9.870
96 HD13 LEU 19 HD13 LEU 19 -11.304 6.166 -8.114
97 HD21 LEU 19 HD21 LEU 19 -13.902 7.516 -10.803
98 HD22 LEU 19 HD22 LEU 19 -14.547 5.892 -10.568
99 HD23 LEU 19 HD23 LEU 19 -12.884 6.110 -11.112
100 H GLY 20 HN GLY 20 -15.028 3.643 -5.772
101 HA2 GLY 20 HA2 GLY 20 -16.069 1.631 -5.350
102 HA3 GLY 20 HA1 GLY 20 -17.077 1.914 -6.762
103 H LYS 21 HN LYS 21 -13.551 1.539 -6.382
104 HA LYS 21 HA LYS 21 -13.451 -1.063 -7.479
105 HB2 LYS 21 HB2 LYS 21 -12.344 -0.406 -9.659
106 HB3 LYS 21 HB1 LYS 21 -14.079 -0.138 -9.572
107 HG2 LYS 21 HG2 LYS 21 -13.450 2.261 -8.870
108 HG3 LYS 21 HG1 LYS 21 -11.861 1.865 -9.528
109 HD2 LYS 21 HD2 LYS 21 -14.038 1.097 -11.303
110 HD3 LYS 21 HD1 LYS 21 -14.021 2.827 -10.952
111 HE2 LYS 21 HE2 LYS 21 -11.757 1.174 -12.062
112 HE3 LYS 21 HE1 LYS 21 -12.691 2.404 -12.914
113 HZ1 LYS 21 HZ1 LYS 21 -10.544 2.717 -10.970
114 HZ2 LYS 21 HZ2 LYS 21 -11.806 3.840 -10.886
115 HZ3 LYS 21 HZ3 LYS 21 -10.929 3.661 -12.320
116 H CYS 22 HN CYS 22 -11.292 -1.871 -7.642
117 HA CYS 22 HA CYS 22 -9.436 -0.322 -6.026
118 HB2 CYS 22 HB2 CYS 22 -10.010 -2.869 -5.757
119 HB3 CYS 22 HB1 CYS 22 -8.806 -3.067 -7.026
120 H MET 23 HN MET 23 -7.401 0.248 -6.619
121 HA MET 23 HA MET 23 -6.617 -0.151 -9.416
122 HB2 MET 23 HB2 MET 23 -5.688 2.407 -8.770
123 HB3 MET 23 HB1 MET 23 -6.992 2.011 -9.874
124 HG2 MET 23 HG2 MET 23 -7.606 2.202 -6.992
125 HG3 MET 23 HG1 MET 23 -7.266 3.685 -7.873
126 HE1 MET 23 HE1 MET 23 -8.965 5.028 -8.716
127 HE2 MET 23 HE2 MET 23 -10.369 4.520 -9.654
128 HE3 MET 23 HE3 MET 23 -8.744 4.261 -10.288
129 H GLU 24 HN GLU 24 -4.268 1.460 -9.175
130 HA GLU 24 HA GLU 24 -2.704 -0.319 -7.442
131 HB2 GLU 24 HB2 GLU 24 -0.771 0.316 -8.789
132 HB3 GLU 24 HB1 GLU 24 -2.063 -0.316 -9.810
133 HG2 GLU 24 HG2 GLU 24 -2.698 1.965 -10.384
134 HG3 GLU 24 HG1 GLU 24 -1.404 2.572 -9.351
135 H CYS 25 HN CYS 25 -0.776 0.597 -6.449
136 HA CYS 25 HA CYS 25 -1.407 3.136 -5.162
137 HB2 CYS 25 HB2 CYS 25 -0.798 1.227 -3.735
138 HB3 CYS 25 HB1 CYS 25 0.759 1.114 -4.546
139 H SER 26 HN SER 26 0.825 1.732 -7.410
140 HA SER 26 HA SER 26 2.909 3.577 -7.321
141 HB2 SER 26 HB2 SER 26 3.100 1.570 -8.666
142 HB3 SER 26 HB1 SER 26 1.749 2.073 -9.682
143 HG SER 26 HG SER 26 3.670 2.567 -10.724
144 H VAL 27 HN VAL 27 -0.357 3.901 -8.389
145 HA VAL 27 HA VAL 27 -0.018 6.083 -10.159
146 HB VAL 27 HB VAL 27 -2.402 5.164 -8.562
147 HG11 VAL 27 HG11 VAL 27 -3.132 7.292 -8.820
148 HG12 VAL 27 HG12 VAL 27 -3.522 6.718 -10.441
149 HG13 VAL 27 HG13 VAL 27 -2.034 7.622 -10.161
150 HG21 VAL 27 HG21 VAL 27 -2.965 3.922 -10.346
151 HG22 VAL 27 HG22 VAL 27 -1.261 4.079 -10.773
152 HG23 VAL 27 HG23 VAL 27 -2.454 5.158 -11.495
153 H CYS 28 HN CYS 28 -0.337 5.838 -6.705
154 HA CYS 28 HA CYS 28 -0.757 8.616 -6.238
155 HB2 CYS 28 HB2 CYS 28 0.286 6.551 -4.294
156 HB3 CYS 28 HB1 CYS 28 -0.452 8.098 -3.894
157 H LYS 29 HN LYS 29 0.999 9.379 -7.653
158 HA LYS 29 HA LYS 29 3.621 9.276 -6.312
159 HB2 LYS 29 HB2 LYS 29 2.845 9.394 -9.197
160 HB3 LYS 29 HB1 LYS 29 4.372 10.107 -8.693
161 HG2 LYS 29 HG2 LYS 29 3.746 7.333 -7.824
162 HG3 LYS 29 HG1 LYS 29 4.224 7.613 -9.499
163 HD2 LYS 29 HD2 LYS 29 6.303 8.566 -8.828
164 HD3 LYS 29 HD1 LYS 29 5.803 8.613 -7.136
165 HE2 LYS 29 HE2 LYS 29 5.740 6.164 -7.094
166 HE3 LYS 29 HE1 LYS 29 6.248 6.124 -8.782
167 HZ1 LYS 29 HZ1 LYS 29 8.271 5.936 -7.847
168 HZ2 LYS 29 HZ2 LYS 29 7.806 6.655 -6.389
169 HZ3 LYS 29 HZ3 LYS 29 8.173 7.621 -7.728
170 H ASN 30 HN ASN 30 2.365 11.494 -8.779
171 HA ASN 30 HA ASN 30 3.027 13.722 -6.974
172 HB2 ASN 30 HB2 ASN 30 2.847 13.688 -9.994
173 HB3 ASN 30 HB1 ASN 30 3.260 15.090 -9.012
174 HD21 ASN 30 HD21 ASN 30 4.773 13.650 -11.088
175 HD22 ASN 30 HD22 ASN 30 6.268 13.205 -10.345
176 H SER 31 HN SER 31 0.888 13.350 -9.801
177 HA SER 31 HA SER 31 -0.974 15.260 -9.046
178 HB2 SER 31 HB2 SER 31 -0.664 13.711 -11.234
179 HB3 SER 31 HB1 SER 31 -2.037 12.896 -10.486
180 HG SER 31 HG SER 31 -2.373 14.802 -11.996
181 H GLU 32 HN GLU 32 -1.886 15.285 -7.082
182 HA GLU 32 HA GLU 32 -2.908 12.801 -5.933
183 HB2 GLU 32 HB2 GLU 32 -1.531 14.244 -4.503
184 HB3 GLU 32 HB1 GLU 32 -2.670 15.564 -4.729
185 HG2 GLU 32 HG2 GLU 32 -4.042 14.792 -3.158
186 HG3 GLU 32 HG1 GLU 32 -3.939 13.137 -3.757
187 H LYS 33 HN LYS 33 -4.895 12.262 -6.521
188 HA LYS 33 HA LYS 33 -7.083 14.065 -6.061
189 HB2 LYS 33 HB2 LYS 33 -7.999 13.884 -8.367
190 HB3 LYS 33 HB1 LYS 33 -6.513 14.819 -8.279
191 HG2 LYS 33 HG2 LYS 33 -5.678 13.544 -9.881
192 HG3 LYS 33 HG1 LYS 33 -5.718 12.179 -8.763
193 HD2 LYS 33 HD2 LYS 33 -7.972 11.625 -9.486
194 HD3 LYS 33 HD1 LYS 33 -7.995 13.030 -10.553
195 HE2 LYS 33 HE2 LYS 33 -5.763 11.113 -10.893
196 HE3 LYS 33 HE1 LYS 33 -7.364 10.573 -11.396
197 HZ1 LYS 33 HZ1 LYS 33 -6.132 11.627 -13.204
198 HZ2 LYS 33 HZ2 LYS 33 -6.036 13.065 -12.318
199 HZ3 LYS 33 HZ3 LYS 33 -7.541 12.489 -12.833
200 H SER 34 HN SER 34 -6.295 11.609 -4.954
201 HA SER 34 HA SER 34 -8.669 10.023 -5.548
202 HB2 SER 34 HB2 SER 34 -5.854 8.920 -5.617
203 HB3 SER 34 HB1 SER 34 -7.304 7.917 -5.540
204 HG SER 34 HG SER 34 -7.945 9.136 -7.508
205 H ASP 35 HN ASP 35 -9.613 9.282 -3.751
206 HA ASP 35 HA ASP 35 -8.286 9.755 -1.204
207 HB2 ASP 35 HB2 ASP 35 -10.759 10.338 -1.831
208 HB3 ASP 35 HB1 ASP 35 -11.061 8.641 -1.468
209 H PHE 36 HN PHE 36 -7.897 7.393 -3.233
210 HA PHE 36 HA PHE 36 -8.384 5.165 -1.411
211 HB2 PHE 36 HB2 PHE 36 -8.350 3.773 -3.248
212 HB3 PHE 36 HB1 PHE 36 -8.912 5.256 -3.999
213 HD1 PHE 36 HD1 PHE 36 -6.333 6.745 -4.192
214 HD2 PHE 36 HD2 PHE 36 -7.293 2.678 -4.972
215 HE1 PHE 36 HE1 PHE 36 -4.444 6.601 -5.764
216 HE2 PHE 36 HE2 PHE 36 -5.409 2.524 -6.539
217 HZ PHE 36 HZ PHE 36 -3.984 4.481 -6.933
218 H CYS 37 HN CYS 37 -5.833 7.208 -2.362
219 HA CYS 37 HA CYS 37 -3.683 5.430 -2.126
220 HB2 CYS 37 HB2 CYS 37 -3.807 8.375 -1.451
221 HB3 CYS 37 HB1 CYS 37 -2.320 7.446 -1.606
222 H GLN 38 HN GLN 38 -5.971 5.955 0.128
223 HA GLN 38 HA GLN 38 -4.163 5.898 2.407
224 HB2 GLN 38 HB2 GLN 38 -7.012 5.520 2.950
225 HB3 GLN 38 HB1 GLN 38 -5.891 6.683 3.640
226 HG2 GLN 38 HG2 GLN 38 -7.232 6.942 0.963
227 HG3 GLN 38 HG1 GLN 38 -7.773 7.724 2.449
228 HE21 GLN 38 HE21 GLN 38 -5.778 7.946 -0.258
229 HE22 GLN 38 HE22 GLN 38 -4.895 9.360 0.195
230 H ASN 39 HN ASN 39 -5.708 3.807 0.282
231 HA ASN 39 HA ASN 39 -6.081 1.636 2.150
232 HB2 ASN 39 HB2 ASN 39 -6.829 2.188 -0.545
233 HB3 ASN 39 HB1 ASN 39 -5.928 0.674 -0.529
234 HD21 ASN 39 HD21 ASN 39 -8.888 2.168 0.056
235 HD22 ASN 39 HD22 ASN 39 -9.705 0.828 0.780
236 H CYS 40 HN CYS 40 -3.782 2.557 -0.304
237 HA CYS 40 HA CYS 40 -2.067 0.454 -0.470
238 HB2 CYS 40 HB2 CYS 40 -1.857 2.595 -1.704
239 HB3 CYS 40 HB1 CYS 40 -1.261 3.360 -0.236
240 HA PRO 41 HA PRO 41 -0.778 0.406 3.886
241 HB2 PRO 41 HB2 PRO 41 -0.527 -2.238 4.148
242 HB3 PRO 41 HB1 PRO 41 -2.119 -1.472 4.094
243 HG2 PRO 41 HG2 PRO 41 -0.671 -2.984 1.975
244 HG3 PRO 41 HG1 PRO 41 -2.403 -2.942 2.341
245 HD2 PRO 41 HD2 PRO 41 -1.106 -1.488 0.327
246 HD3 PRO 41 HD1 PRO 41 -2.740 -1.185 0.945
247 H SER 42 HN SER 42 1.196 -0.122 4.947
248 HA SER 42 HA SER 42 3.410 -0.879 3.161
249 HB2 SER 42 HB2 SER 42 4.840 0.778 4.340
250 HB3 SER 42 HB1 SER 42 3.508 1.534 3.465
251 HG SER 42 HG SER 42 4.094 1.745 6.035
252 H LYS 43 HN LYS 43 1.871 -2.467 5.060
253 HA LYS 43 HA LYS 43 3.185 -2.836 7.500
254 HB2 LYS 43 HB2 LYS 43 2.187 -5.149 7.409
255 HB3 LYS 43 HB1 LYS 43 1.044 -3.831 7.194
256 HG2 LYS 43 HG2 LYS 43 1.822 -4.418 4.618
257 HG3 LYS 43 HG1 LYS 43 1.752 -5.999 5.398
258 HD2 LYS 43 HD2 LYS 43 -0.522 -5.648 6.056
259 HD3 LYS 43 HD1 LYS 43 -0.467 -3.963 5.535
260 HE2 LYS 43 HE2 LYS 43 -0.356 -4.577 3.252
261 HE3 LYS 43 HE1 LYS 43 -0.028 -6.264 3.648
262 HZ1 LYS 43 HZ1 LYS 43 -2.221 -6.465 3.264
263 HZ2 LYS 43 HZ2 LYS 43 -2.554 -4.836 3.572
264 HZ3 LYS 43 HZ3 LYS 43 -2.370 -5.917 4.859
265 H THR 44 HN THR 44 4.098 -5.283 7.862
266 HA THR 44 HA THR 44 5.867 -6.693 7.618
267 HB THR 44 HB THR 44 6.034 -5.770 4.748
268 HG1 THR 44 HG1 THR 44 4.365 -6.985 4.290
269 HG21 THR 44 HG21 THR 44 6.461 -8.583 5.423
270 HG22 THR 44 HG22 THR 44 7.686 -7.476 6.042
271 HG23 THR 44 HG23 THR 44 7.338 -7.529 4.314
272 H GLU 45 HN GLU 45 7.028 -5.287 9.039
273 HA GLU 45 HA GLU 45 8.582 -3.107 8.204
274 HB2 GLU 45 HB2 GLU 45 9.108 -4.975 10.522
275 HB3 GLU 45 HB1 GLU 45 9.768 -3.357 10.325
276 HG2 GLU 45 HG2 GLU 45 6.945 -3.182 10.125
277 HG3 GLU 45 HG1 GLU 45 7.338 -4.148 11.546
278 H GLN 46 HN GLN 46 10.381 -3.000 7.040
279 HA GLN 46 HA GLN 46 11.658 -5.352 6.072
280 HB2 GLN 46 HB2 GLN 46 12.916 -2.649 5.833
281 HB3 GLN 46 HB1 GLN 46 12.889 -3.968 4.674
282 HG2 GLN 46 HG2 GLN 46 11.368 -2.707 3.631
283 HG3 GLN 46 HG1 GLN 46 10.256 -3.385 4.820
284 HE21 GLN 46 HE21 GLN 46 8.919 -1.843 5.427
285 HE22 GLN 46 HE22 GLN 46 9.358 -0.232 5.871
286 HA PRO 47 HA PRO 47 15.275 -3.866 8.934
287 HB2 PRO 47 HB2 PRO 47 13.973 -2.195 10.957
288 HB3 PRO 47 HB1 PRO 47 15.383 -1.843 9.957
289 HG2 PRO 47 HG2 PRO 47 13.012 -0.600 9.600
290 HG3 PRO 47 HG1 PRO 47 14.120 -0.942 8.258
291 HD2 PRO 47 HD2 PRO 47 11.649 -2.418 9.098
292 HD3 PRO 47 HD1 PRO 47 12.204 -1.996 7.465
293 H ASP 48 HN ASP 48 14.580 -6.147 9.307
294 HA ASP 48 HA ASP 48 14.367 -6.638 12.124
295 HB2 ASP 48 HB2 ASP 48 11.965 -6.298 11.315
296 HB3 ASP 48 HB1 ASP 48 12.163 -7.805 10.425
297 H PHE 49 HN PHE 49 16.492 -7.338 10.970
298 HA PHE 49 HA PHE 49 16.298 -10.227 10.597
299 HB2 PHE 49 HB2 PHE 49 18.053 -9.951 8.707
300 HB3 PHE 49 HB1 PHE 49 16.356 -9.670 8.331
301 HD1 PHE 49 HD2 PHE 49 15.531 -7.429 7.903
302 HD2 PHE 49 HD1 PHE 49 19.643 -8.144 8.733
303 HE1 PHE 49 HE2 PHE 49 16.087 -5.185 7.060
304 HE2 PHE 49 HE1 PHE 49 20.207 -5.902 7.892
305 HZ PHE 49 HZ PHE 49 18.428 -4.419 7.053
306 HA PRO 50 HA PRO 50 19.490 -9.286 13.769
307 HB2 PRO 50 HB2 PRO 50 19.308 -12.267 13.793
308 HB3 PRO 50 HB1 PRO 50 19.379 -11.133 15.148
309 HG2 PRO 50 HG2 PRO 50 17.076 -12.273 14.458
310 HG3 PRO 50 HG1 PRO 50 17.133 -10.577 14.972
311 HD2 PRO 50 HD2 PRO 50 16.805 -11.721 12.241
312 HD3 PRO 50 HD1 PRO 50 16.126 -10.235 12.933
313 H TRP 51 HN TRP 51 21.704 -10.288 14.085
314 HA TRP 51 HA TRP 51 23.772 -10.774 13.277
315 HB2 TRP 51 HB2 TRP 51 21.996 -12.690 12.080
316 HB3 TRP 51 HB1 TRP 51 23.263 -12.273 10.931
317 HD1 TRP 51 HD1 TRP 51 25.870 -12.340 12.220
318 HE1 TRP 51 HE1 TRP 51 26.778 -14.275 13.654
319 HE3 TRP 51 HE3 TRP 51 21.443 -14.566 13.477
320 HZ2 TRP 51 HZ2 TRP 51 25.753 -16.456 15.123
321 HZ3 TRP 51 HZ3 TRP 51 21.494 -16.573 14.900
322 HH2 TRP 51 HH2 TRP 51 23.606 -17.498 15.704
323 H ILE 52 HN ILE 52 25.291 -10.178 11.644
324 HA ILE 52 HA ILE 52 24.194 -8.229 9.728
325 HB ILE 52 HB ILE 52 27.041 -8.271 10.708
326 HG12 ILE 52 HG12 ILE 52 25.605 -8.038 12.672
327 HG13 ILE 52 HG11 ILE 52 26.399 -6.508 12.314
328 HG21 ILE 52 HG21 ILE 52 25.538 -5.859 9.803
329 HG22 ILE 52 HG22 ILE 52 26.152 -6.999 8.606
330 HG23 ILE 52 HG23 ILE 52 27.265 -6.206 9.721
331 HD11 ILE 52 HD11 ILE 52 23.738 -6.845 12.803
332 HD12 ILE 52 HD12 ILE 52 23.794 -6.788 11.041
333 HD13 ILE 52 HD13 ILE 52 24.463 -5.459 11.989
334 H TRP 53 HN TRP 53 24.181 -10.884 8.976
335 HA TRP 53 HA TRP 53 26.503 -11.186 7.204
336 HB2 TRP 53 HB2 TRP 53 24.613 -13.075 8.491
337 HB3 TRP 53 HB1 TRP 53 25.161 -13.501 6.873
338 HD1 TRP 53 HD1 TRP 53 25.980 -14.558 10.075
339 HE1 TRP 53 HE1 TRP 53 28.480 -15.074 10.405
340 HE3 TRP 53 HE3 TRP 53 27.866 -12.060 6.033
341 HZ2 TRP 53 HZ2 TRP 53 30.927 -14.499 9.121
342 HZ3 TRP 53 HZ3 TRP 53 30.297 -12.092 5.655
343 HH2 TRP 53 HH2 TRP 53 31.795 -13.286 7.169
344 H VAL 54 HN VAL 54 26.181 -11.765 4.986
345 HA VAL 54 HA VAL 54 25.366 -11.185 2.930
346 HB VAL 54 HB VAL 54 24.165 -13.298 3.468
347 HG11 VAL 54 HG11 VAL 54 21.997 -11.403 4.349
348 HG12 VAL 54 HG12 VAL 54 22.788 -12.660 5.300
349 HG13 VAL 54 HG13 VAL 54 21.717 -13.103 3.971
350 HG21 VAL 54 HG21 VAL 54 22.079 -12.328 1.878
351 HG22 VAL 54 HG22 VAL 54 23.581 -13.076 1.336
352 HG23 VAL 54 HG23 VAL 54 23.476 -11.323 1.490
Start of MODEL 2
1 H1 SER 5 HT1 SER 5 -16.633 -10.572 3.437
2 H2 SER 5 HT2 SER 5 -15.328 -11.372 4.213
3 H3 SER 5 HT3 SER 5 -15.440 -11.369 2.500
4 HA SER 5 HA SER 5 -15.184 -8.922 4.101
5 HB2 SER 5 HB2 SER 5 -12.784 -9.020 3.615
6 HB3 SER 5 HB1 SER 5 -13.280 -10.446 4.527
7 HG SER 5 HG SER 5 -12.097 -10.334 2.144
8 H GLN 6 HN GLN 6 -14.413 -7.147 2.778
9 HA GLN 6 HA GLN 6 -14.855 -7.499 -0.105
10 HB2 GLN 6 HB2 GLN 6 -16.562 -6.087 1.693
11 HB3 GLN 6 HB1 GLN 6 -15.787 -4.911 0.641
12 HG2 GLN 6 HG2 GLN 6 -16.529 -6.267 -1.309
13 HG3 GLN 6 HG1 GLN 6 -17.433 -7.285 -0.190
14 HE21 GLN 6 HE21 GLN 6 -18.446 -5.436 1.545
15 HE22 GLN 6 HE22 GLN 6 -19.552 -4.399 0.717
16 H GLY 7 HN GLY 7 -12.420 -7.270 1.478
17 HA2 GLY 7 HA2 GLY 7 -11.256 -5.011 0.035
18 HA3 GLY 7 HA1 GLY 7 -11.087 -5.011 1.785
19 H GLU 8 HN GLU 8 -10.309 -6.793 -1.157
20 HA GLU 8 HA GLU 8 -8.123 -8.120 0.296
21 HB2 GLU 8 HB2 GLU 8 -8.185 -9.866 -1.368
22 HB3 GLU 8 HB1 GLU 8 -9.808 -9.627 -0.733
23 HG2 GLU 8 HG2 GLU 8 -9.333 -7.981 -3.057
24 HG3 GLU 8 HG1 GLU 8 -9.042 -9.686 -3.398
25 H CYS 9 HN CYS 9 -7.901 -5.456 -0.591
26 HA CYS 9 HA CYS 9 -6.184 -5.614 -2.959
27 HB2 CYS 9 HB2 CYS 9 -7.395 -3.269 -1.492
28 HB3 CYS 9 HB1 CYS 9 -6.247 -3.094 -2.815
29 HA PRO 10 HA PRO 10 -2.981 -5.824 0.339
30 HB2 PRO 10 HB2 PRO 10 -1.040 -6.656 -1.439
31 HB3 PRO 10 HB1 PRO 10 -2.101 -7.737 -0.532
32 HG2 PRO 10 HG2 PRO 10 -2.337 -6.774 -3.351
33 HG3 PRO 10 HG1 PRO 10 -2.651 -8.388 -2.687
34 HD2 PRO 10 HD2 PRO 10 -4.650 -6.705 -3.277
35 HD3 PRO 10 HD1 PRO 10 -4.733 -7.782 -1.867
36 H GLU 11 HN GLU 11 -0.421 -5.201 -0.241
37 HA GLU 11 HA GLU 11 -0.469 -2.395 -0.435
38 HB2 GLU 11 HB2 GLU 11 1.323 -4.261 0.474
39 HB3 GLU 11 HB1 GLU 11 2.119 -3.674 -0.979
40 HG2 GLU 11 HG2 GLU 11 1.071 -1.493 0.589
41 HG3 GLU 11 HG1 GLU 11 2.146 -2.512 1.543
42 H GLY 12 HN GLY 12 1.406 -1.426 -1.962
43 HA2 GLY 12 HA2 GLY 12 1.862 -0.698 -4.091
44 HA3 GLY 12 HA1 GLY 12 1.773 -2.392 -4.548
45 H ARG 13 HN ARG 13 -1.056 -1.014 -3.150
46 HA ARG 13 HA ARG 13 -2.245 -0.065 -5.562
47 HB2 ARG 13 HB2 ARG 13 -2.867 -2.046 -6.389
48 HB3 ARG 13 HB1 ARG 13 -2.394 -2.882 -4.917
49 HG2 ARG 13 HG2 ARG 13 -4.600 -1.948 -3.958
50 HG3 ARG 13 HG1 ARG 13 -5.026 -1.708 -5.657
51 HD2 ARG 13 HD2 ARG 13 -3.972 -4.337 -4.690
52 HD3 ARG 13 HD1 ARG 13 -5.679 -3.933 -4.503
53 HE ARG 13 HE ARG 13 -5.305 -3.448 -7.100
54 HH11 ARG 13 HH11 ARG 13 -4.365 -6.178 -5.138
55 HH12 ARG 13 HH12 ARG 13 -4.457 -7.308 -6.446
56 HH21 ARG 13 HH21 ARG 13 -5.425 -4.933 -8.820
57 HH22 ARG 13 HH22 ARG 13 -5.057 -6.602 -8.536
58 H ALA 14 HN ALA 14 -4.685 0.283 -5.209
59 HA ALA 14 HA ALA 14 -5.469 0.408 -2.440
60 HB1 ALA 14 HB1 ALA 14 -4.645 2.788 -3.952
61 HB2 ALA 14 HB2 ALA 14 -4.639 2.483 -2.214
62 HB3 ALA 14 HB3 ALA 14 -6.140 2.941 -3.026
63 H TYR 15 HN TYR 15 -7.715 1.019 -2.120
64 HA TYR 15 HA TYR 15 -9.364 0.542 -4.517
65 HB2 TYR 15 HB2 TYR 15 -9.579 -1.353 -3.051
66 HB3 TYR 15 HB1 TYR 15 -9.820 -0.311 -1.654
67 HD1 TYR 15 HD1 TYR 15 -11.946 1.087 -1.550
68 HD2 TYR 15 HD2 TYR 15 -11.410 -2.089 -4.332
69 HE1 TYR 15 HE1 TYR 15 -14.379 0.971 -1.879
70 HE2 TYR 15 HE2 TYR 15 -13.842 -2.212 -4.669
71 HH TYR 15 HH TYR 15 -15.985 0.194 -3.492
72 H SER 16 HN SER 16 -10.599 2.218 -5.101
73 HA SER 16 HA SER 16 -11.032 4.357 -3.149
74 HB2 SER 16 HB2 SER 16 -12.028 5.242 -5.594
75 HB3 SER 16 HB1 SER 16 -10.444 5.618 -4.916
76 HG SER 16 HG SER 16 -9.548 4.348 -6.336
77 H GLN 17 HN GLN 17 -12.801 4.187 -2.001
78 HA GLN 17 HA GLN 17 -15.077 2.708 -2.735
79 HB2 GLN 17 HB2 GLN 17 -16.137 3.799 -0.774
80 HB3 GLN 17 HB1 GLN 17 -14.562 3.103 -0.413
81 HG2 GLN 17 HG2 GLN 17 -14.237 5.078 0.599
82 HG3 GLN 17 HG1 GLN 17 -13.808 5.593 -1.032
83 HE21 GLN 17 HE21 GLN 17 -16.816 5.075 0.789
84 HE22 GLN 17 HE22 GLN 17 -17.526 6.595 0.380
85 H ASP 18 HN ASP 18 -14.099 5.959 -3.348
86 HA ASP 18 HA ASP 18 -16.612 7.116 -3.870
87 HB2 ASP 18 HB2 ASP 18 -14.284 8.240 -3.633
88 HB3 ASP 18 HB1 ASP 18 -14.117 7.900 -5.354
89 H LEU 19 HN LEU 19 -14.181 5.849 -6.148
90 HA LEU 19 HA LEU 19 -15.989 5.914 -8.348
91 HB2 LEU 19 HB2 LEU 19 -13.303 5.893 -8.164
92 HB3 LEU 19 HB1 LEU 19 -13.590 4.196 -8.496
93 HG LEU 19 HG LEU 19 -13.157 5.290 -10.575
94 HD11 LEU 19 HD11 LEU 19 -14.919 3.582 -10.580
95 HD12 LEU 19 HD12 LEU 19 -15.184 4.815 -11.814
96 HD13 LEU 19 HD13 LEU 19 -16.126 4.842 -10.324
97 HD21 LEU 19 HD21 LEU 19 -14.025 7.292 -11.267
98 HD22 LEU 19 HD22 LEU 19 -13.981 7.557 -9.524
99 HD23 LEU 19 HD23 LEU 19 -15.496 7.111 -10.311
100 H GLY 20 HN GLY 20 -15.120 3.607 -5.936
101 HA2 GLY 20 HA2 GLY 20 -16.221 1.651 -5.361
102 HA3 GLY 20 HA1 GLY 20 -17.246 1.852 -6.773
103 H LYS 21 HN LYS 21 -13.719 1.455 -6.348
104 HA LYS 21 HA LYS 21 -13.635 -1.184 -7.325
105 HB2 LYS 21 HB2 LYS 21 -12.666 -0.782 -9.555
106 HB3 LYS 21 HB1 LYS 21 -14.322 -0.202 -9.444
107 HG2 LYS 21 HG2 LYS 21 -13.708 2.001 -9.571
108 HG3 LYS 21 HG1 LYS 21 -12.097 1.701 -8.916
109 HD2 LYS 21 HD2 LYS 21 -12.018 0.254 -11.219
110 HD3 LYS 21 HD1 LYS 21 -13.064 1.596 -11.689
111 HE2 LYS 21 HE2 LYS 21 -11.380 3.081 -11.642
112 HE3 LYS 21 HE1 LYS 21 -10.693 2.399 -10.168
113 HZ1 LYS 21 HZ1 LYS 21 -9.553 0.763 -11.393
114 HZ2 LYS 21 HZ2 LYS 21 -9.292 2.212 -12.227
115 HZ3 LYS 21 HZ3 LYS 21 -10.416 1.091 -12.812
116 H CYS 22 HN CYS 22 -11.423 -1.946 -7.672
117 HA CYS 22 HA CYS 22 -9.556 -0.346 -6.088
118 HB2 CYS 22 HB2 CYS 22 -10.163 -2.873 -5.671
119 HB3 CYS 22 HB1 CYS 22 -8.961 -3.146 -6.925
120 H MET 23 HN MET 23 -7.593 0.268 -6.780
121 HA MET 23 HA MET 23 -6.710 -0.473 -9.454
122 HB2 MET 23 HB2 MET 23 -7.416 1.506 -10.273
123 HB3 MET 23 HB1 MET 23 -7.764 2.128 -8.667
124 HG2 MET 23 HG2 MET 23 -5.346 2.625 -8.421
125 HG3 MET 23 HG1 MET 23 -5.137 2.190 -10.115
126 HE1 MET 23 HE1 MET 23 -6.573 5.048 -12.099
127 HE2 MET 23 HE2 MET 23 -6.975 3.337 -11.959
128 HE3 MET 23 HE3 MET 23 -5.288 3.846 -11.987
129 H GLU 24 HN GLU 24 -4.392 0.381 -9.780
130 HA GLU 24 HA GLU 24 -2.794 -0.585 -7.699
131 HB2 GLU 24 HB2 GLU 24 -0.893 0.287 -8.970
132 HB3 GLU 24 HB1 GLU 24 -2.031 -0.547 -10.028
133 HG2 GLU 24 HG2 GLU 24 -3.003 1.782 -10.455
134 HG3 GLU 24 HG1 GLU 24 -1.508 2.375 -9.736
135 H CYS 25 HN CYS 25 -1.041 0.586 -6.695
136 HA CYS 25 HA CYS 25 -2.012 3.050 -5.465
137 HB2 CYS 25 HB2 CYS 25 -1.377 1.294 -3.923
138 HB3 CYS 25 HB1 CYS 25 0.191 1.127 -4.697
139 H SER 26 HN SER 26 0.503 1.809 -7.509
140 HA SER 26 HA SER 26 2.397 3.844 -7.301
141 HB2 SER 26 HB2 SER 26 2.833 1.772 -8.533
142 HB3 SER 26 HB1 SER 26 1.623 2.215 -9.738
143 HG SER 26 HG SER 26 3.861 2.698 -10.296
144 H VAL 27 HN VAL 27 -0.783 3.868 -8.601
145 HA VAL 27 HA VAL 27 -0.724 5.752 -10.598
146 HB VAL 27 HB VAL 27 -2.772 5.448 -8.401
147 HG11 VAL 27 HG11 VAL 27 -4.322 6.649 -9.891
148 HG12 VAL 27 HG12 VAL 27 -2.981 6.994 -10.984
149 HG13 VAL 27 HG13 VAL 27 -2.986 7.668 -9.354
150 HG21 VAL 27 HG21 VAL 27 -2.165 3.982 -10.822
151 HG22 VAL 27 HG22 VAL 27 -3.823 4.578 -10.818
152 HG23 VAL 27 HG23 VAL 27 -3.246 3.567 -9.493
153 H CYS 28 HN CYS 28 -0.362 6.259 -7.176
154 HA CYS 28 HA CYS 28 0.148 9.088 -7.682
155 HB2 CYS 28 HB2 CYS 28 -0.794 9.678 -5.578
156 HB3 CYS 28 HB1 CYS 28 -1.941 8.599 -6.362
157 H LYS 29 HN LYS 29 1.610 10.110 -6.049
158 HA LYS 29 HA LYS 29 3.707 8.204 -5.238
159 HB2 LYS 29 HB2 LYS 29 3.832 10.604 -6.846
160 HB3 LYS 29 HB1 LYS 29 4.871 10.750 -5.434
161 HG2 LYS 29 HG2 LYS 29 6.131 9.864 -7.277
162 HG3 LYS 29 HG1 LYS 29 5.949 8.620 -6.040
163 HD2 LYS 29 HD2 LYS 29 5.425 7.390 -7.891
164 HD3 LYS 29 HD1 LYS 29 3.820 8.004 -7.489
165 HE2 LYS 29 HE2 LYS 29 4.424 8.196 -9.903
166 HE3 LYS 29 HE1 LYS 29 3.986 9.723 -9.138
167 HZ1 LYS 29 HZ1 LYS 29 6.073 10.526 -9.335
168 HZ2 LYS 29 HZ2 LYS 29 6.142 9.440 -10.630
169 HZ3 LYS 29 HZ3 LYS 29 6.813 9.017 -9.136
170 H ASN 30 HN ASN 30 3.408 7.914 -3.108
171 HA ASN 30 HA ASN 30 3.267 8.341 -0.878
172 HB2 ASN 30 HB2 ASN 30 4.417 11.053 -1.549
173 HB3 ASN 30 HB1 ASN 30 4.527 10.195 -0.015
174 HD21 ASN 30 HD21 ASN 30 5.661 10.357 -3.300
175 HD22 ASN 30 HD22 ASN 30 7.044 9.343 -3.083
176 H SER 31 HN SER 31 0.963 8.897 -2.452
177 HA SER 31 HA SER 31 -1.113 9.798 -2.233
178 HB2 SER 31 HB2 SER 31 0.076 10.156 0.462
179 HB3 SER 31 HB1 SER 31 -1.352 11.126 0.102
180 HG SER 31 HG SER 31 -2.302 9.330 0.720
181 H GLU 32 HN GLU 32 -1.899 11.507 -3.262
182 HA GLU 32 HA GLU 32 -0.748 14.152 -2.763
183 HB2 GLU 32 HB2 GLU 32 -1.085 14.398 -5.400
184 HB3 GLU 32 HB1 GLU 32 0.431 13.862 -4.691
185 HG2 GLU 32 HG2 GLU 32 0.245 11.793 -5.533
186 HG3 GLU 32 HG1 GLU 32 -1.495 11.721 -5.253
187 H LYS 33 HN LYS 33 -3.004 13.002 -5.249
188 HA LYS 33 HA LYS 33 -5.140 14.518 -3.911
189 HB2 LYS 33 HB2 LYS 33 -4.527 14.410 -6.870
190 HB3 LYS 33 HB1 LYS 33 -5.992 15.105 -6.188
191 HG2 LYS 33 HG2 LYS 33 -3.445 16.126 -5.107
192 HG3 LYS 33 HG1 LYS 33 -3.807 16.535 -6.785
193 HD2 LYS 33 HD2 LYS 33 -5.724 17.715 -6.217
194 HD3 LYS 33 HD1 LYS 33 -5.886 16.896 -4.662
195 HE2 LYS 33 HE2 LYS 33 -3.569 18.707 -5.274
196 HE3 LYS 33 HE1 LYS 33 -5.095 19.327 -4.644
197 HZ1 LYS 33 HZ1 LYS 33 -3.602 18.938 -2.836
198 HZ2 LYS 33 HZ2 LYS 33 -3.305 17.351 -3.338
199 HZ3 LYS 33 HZ3 LYS 33 -4.834 17.781 -2.754
200 H SER 34 HN SER 34 -4.575 11.750 -3.672
201 HA SER 34 HA SER 34 -6.860 10.550 -5.097
202 HB2 SER 34 HB2 SER 34 -4.197 9.478 -4.297
203 HB3 SER 34 HB1 SER 34 -5.571 8.372 -4.271
204 HG SER 34 HG SER 34 -4.190 9.333 -6.383
205 H ASP 35 HN ASP 35 -8.304 9.240 -3.945
206 HA ASP 35 HA ASP 35 -8.381 9.822 -1.077
207 HB2 ASP 35 HB2 ASP 35 -10.595 8.629 -2.747
208 HB3 ASP 35 HB1 ASP 35 -10.728 9.374 -1.158
209 H PHE 36 HN PHE 36 -7.838 7.256 -3.280
210 HA PHE 36 HA PHE 36 -8.293 5.246 -1.204
211 HB2 PHE 36 HB2 PHE 36 -8.450 3.634 -2.872
212 HB3 PHE 36 HB1 PHE 36 -9.240 5.033 -3.576
213 HD1 PHE 36 HD2 PHE 36 -6.473 6.435 -4.183
214 HD2 PHE 36 HD1 PHE 36 -8.110 2.592 -4.984
215 HE1 PHE 36 HE2 PHE 36 -4.998 6.218 -6.135
216 HE2 PHE 36 HE1 PHE 36 -6.636 2.367 -6.936
217 HZ PHE 36 HZ PHE 36 -5.079 4.177 -7.511
218 H CYS 37 HN CYS 37 -5.709 6.981 -2.535
219 HA CYS 37 HA CYS 37 -3.716 5.022 -2.446
220 HB2 CYS 37 HB2 CYS 37 -3.638 8.008 -2.084
221 HB3 CYS 37 HB1 CYS 37 -2.179 7.034 -1.924
222 H GLN 38 HN GLN 38 -5.695 5.963 0.009
223 HA GLN 38 HA GLN 38 -3.760 5.785 2.150
224 HB2 GLN 38 HB2 GLN 38 -5.956 5.638 3.517
225 HB3 GLN 38 HB1 GLN 38 -5.535 7.159 2.751
226 HG2 GLN 38 HG2 GLN 38 -7.290 7.089 1.351
227 HG3 GLN 38 HG1 GLN 38 -7.192 5.341 1.145
228 HE21 GLN 38 HE21 GLN 38 -9.515 7.036 1.623
229 HE22 GLN 38 HE22 GLN 38 -10.254 6.443 3.067
230 H ASN 39 HN ASN 39 -5.617 3.725 0.225
231 HA ASN 39 HA ASN 39 -5.928 1.556 2.040
232 HB2 ASN 39 HB2 ASN 39 -6.762 2.161 -0.585
233 HB3 ASN 39 HB1 ASN 39 -5.816 0.678 -0.696
234 HD21 ASN 39 HD21 ASN 39 -8.754 2.100 0.285
235 HD22 ASN 39 HD22 ASN 39 -9.511 0.671 0.891
236 H CYS 40 HN CYS 40 -3.625 2.393 -0.443
237 HA CYS 40 HA CYS 40 -1.955 0.468 -0.926
238 HB2 CYS 40 HB2 CYS 40 -1.616 3.070 -1.065
239 HB3 CYS 40 HB1 CYS 40 -0.630 2.814 0.366
240 HA PRO 41 HA PRO 41 0.320 0.323 3.392
241 HB2 PRO 41 HB2 PRO 41 -1.168 1.327 5.481
242 HB3 PRO 41 HB1 PRO 41 0.114 2.214 4.652
243 HG2 PRO 41 HG2 PRO 41 -2.848 2.342 4.243
244 HG3 PRO 41 HG1 PRO 41 -1.668 3.665 4.303
245 HD2 PRO 41 HD2 PRO 41 -2.615 2.778 1.971
246 HD3 PRO 41 HD1 PRO 41 -0.916 3.259 2.143
247 H SER 42 HN SER 42 0.157 -1.471 4.681
248 HA SER 42 HA SER 42 -2.304 -3.001 4.436
249 HB2 SER 42 HB2 SER 42 0.129 -4.021 5.855
250 HB3 SER 42 HB1 SER 42 -1.040 -4.899 4.867
251 HG SER 42 HG SER 42 -0.126 -4.010 3.035
252 H LYS 43 HN LYS 43 -0.753 -1.021 6.742
253 HA LYS 43 HA LYS 43 -1.309 -0.412 8.860
254 HB2 LYS 43 HB2 LYS 43 -3.735 -2.187 8.575
255 HB3 LYS 43 HB1 LYS 43 -3.519 -0.848 9.695
256 HG2 LYS 43 HG2 LYS 43 -3.310 0.631 7.635
257 HG3 LYS 43 HG1 LYS 43 -3.930 -0.749 6.726
258 HD2 LYS 43 HD2 LYS 43 -6.011 -0.619 7.686
259 HD3 LYS 43 HD1 LYS 43 -5.401 0.133 9.161
260 HE2 LYS 43 HE2 LYS 43 -6.281 2.009 8.293
261 HE3 LYS 43 HE1 LYS 43 -4.805 2.037 7.329
262 HZ1 LYS 43 HZ1 LYS 43 -5.903 1.199 5.482
263 HZ2 LYS 43 HZ2 LYS 43 -7.035 2.273 6.134
264 HZ3 LYS 43 HZ3 LYS 43 -7.209 0.609 6.382
265 H THR 44 HN THR 44 -0.543 -1.092 10.772
266 HA THR 44 HA THR 44 -0.745 -3.880 11.547
267 HB THR 44 HB THR 44 1.260 -4.063 10.301
268 HG1 THR 44 HG1 THR 44 1.594 -5.037 12.237
269 HG21 THR 44 HG21 THR 44 3.093 -2.282 11.434
270 HG22 THR 44 HG22 THR 44 1.672 -1.325 11.015
271 HG23 THR 44 HG23 THR 44 2.476 -2.296 9.782
272 H GLU 45 HN GLU 45 -0.079 -4.256 13.765
273 HA GLU 45 HA GLU 45 -0.069 -3.752 15.982
274 HB2 GLU 45 HB2 GLU 45 2.034 -2.597 15.373
275 HB3 GLU 45 HB1 GLU 45 1.119 -1.127 15.065
276 HG2 GLU 45 HG2 GLU 45 0.423 -1.079 17.412
277 HG3 GLU 45 HG1 GLU 45 1.370 -2.535 17.713
278 H GLN 46 HN GLN 46 -2.484 -3.686 15.419
279 HA GLN 46 HA GLN 46 -3.682 -1.055 15.633
280 HB2 GLN 46 HB2 GLN 46 -4.541 -3.684 14.753
281 HB3 GLN 46 HB1 GLN 46 -5.725 -2.935 15.815
282 HG2 GLN 46 HG2 GLN 46 -6.263 -1.338 14.320
283 HG3 GLN 46 HG1 GLN 46 -4.620 -1.218 13.691
284 HE21 GLN 46 HE21 GLN 46 -7.075 -3.778 13.908
285 HE22 GLN 46 HE22 GLN 46 -6.990 -4.234 12.244
286 HA PRO 47 HA PRO 47 -5.310 -3.223 19.721
287 HB2 PRO 47 HB2 PRO 47 -3.085 -5.131 20.153
288 HB3 PRO 47 HB1 PRO 47 -4.820 -5.354 20.395
289 HG2 PRO 47 HG2 PRO 47 -3.559 -6.497 18.336
290 HG3 PRO 47 HG1 PRO 47 -5.203 -5.853 18.167
291 HD2 PRO 47 HD2 PRO 47 -2.604 -4.673 17.269
292 HD3 PRO 47 HD1 PRO 47 -4.180 -4.678 16.453
293 H ASP 48 HN ASP 48 -4.455 -3.034 21.973
294 HA ASP 48 HA ASP 48 -1.796 -2.002 22.327
295 HB2 ASP 48 HB2 ASP 48 -3.177 -0.062 21.399
296 HB3 ASP 48 HB1 ASP 48 -4.055 -0.095 22.925
297 H PHE 49 HN PHE 49 -3.254 -4.163 23.408
298 HA PHE 49 HA PHE 49 -3.550 -3.321 26.207
299 HB2 PHE 49 HB2 PHE 49 -5.224 -4.978 24.535
300 HB3 PHE 49 HB1 PHE 49 -4.714 -5.851 25.976
301 HD1 PHE 49 HD1 PHE 49 -5.588 -2.272 25.403
302 HD2 PHE 49 HD2 PHE 49 -6.462 -5.890 27.465
303 HE1 PHE 49 HE1 PHE 49 -7.310 -1.103 26.715
304 HE2 PHE 49 HE2 PHE 49 -8.187 -4.730 28.781
305 HZ PHE 49 HZ PHE 49 -8.613 -2.333 28.406
306 HA PRO 50 HA PRO 50 -1.006 -7.292 26.543
307 HB2 PRO 50 HB2 PRO 50 -0.859 -9.066 24.558
308 HB3 PRO 50 HB1 PRO 50 -2.314 -8.934 25.554
309 HG2 PRO 50 HG2 PRO 50 -1.805 -7.913 22.796
310 HG3 PRO 50 HG1 PRO 50 -3.283 -8.613 23.480
311 HD2 PRO 50 HD2 PRO 50 -2.760 -5.887 23.177
312 HD3 PRO 50 HD1 PRO 50 -4.008 -6.589 24.218
313 H TRP 51 HN TRP 51 0.346 -5.157 26.026
314 HA TRP 51 HA TRP 51 2.467 -5.977 24.156
315 HB2 TRP 51 HB2 TRP 51 2.826 -3.647 23.538
316 HB3 TRP 51 HB1 TRP 51 1.163 -4.112 23.198
317 HD1 TRP 51 HD1 TRP 51 -0.545 -3.450 25.476
318 HE1 TRP 51 HE1 TRP 51 -0.648 -1.153 26.633
319 HE3 TRP 51 HE3 TRP 51 3.986 -1.595 24.002
320 HZ2 TRP 51 HZ2 TRP 51 0.977 1.142 26.886
321 HZ3 TRP 51 HZ3 TRP 51 4.635 0.659 24.745
322 HH2 TRP 51 HH2 TRP 51 3.160 1.997 26.156
323 H ILE 52 HN ILE 52 4.567 -5.642 24.806
324 HA ILE 52 HA ILE 52 4.908 -5.070 27.655
325 HB ILE 52 HB ILE 52 7.000 -6.138 25.766
326 HG12 ILE 52 HG12 ILE 52 5.038 -7.625 25.739
327 HG13 ILE 52 HG11 ILE 52 6.406 -8.383 26.549
328 HG21 ILE 52 HG21 ILE 52 6.724 -6.189 28.767
329 HG22 ILE 52 HG22 ILE 52 7.881 -5.247 27.827
330 HG23 ILE 52 HG23 ILE 52 7.992 -7.007 27.855
331 HD11 ILE 52 HD11 ILE 52 4.026 -8.551 27.566
332 HD12 ILE 52 HD12 ILE 52 4.365 -6.925 28.159
333 HD13 ILE 52 HD13 ILE 52 5.413 -8.267 28.618
334 H TRP 53 HN TRP 53 6.616 -3.696 28.397
335 HA TRP 53 HA TRP 53 6.871 -1.308 26.820
336 HB2 TRP 53 HB2 TRP 53 7.604 -2.138 29.588
337 HB3 TRP 53 HB1 TRP 53 8.453 -0.762 28.891
338 HD1 TRP 53 HD1 TRP 53 4.714 -1.485 28.304
339 HE1 TRP 53 HE1 TRP 53 3.352 0.468 29.280
340 HE3 TRP 53 HE3 TRP 53 8.511 1.124 30.523
341 HZ2 TRP 53 HZ2 TRP 53 3.825 2.806 30.790
342 HZ3 TRP 53 HZ3 TRP 53 7.971 3.208 31.712
343 HH2 TRP 53 HH2 TRP 53 5.676 4.031 31.841
344 H VAL 54 HN VAL 54 8.376 -0.984 25.332
345 HA VAL 54 HA VAL 54 10.649 -2.717 25.084
346 HB VAL 54 HB VAL 54 10.113 -0.172 23.551
347 HG11 VAL 54 HG11 VAL 54 11.797 -2.603 22.968
348 HG12 VAL 54 HG12 VAL 54 12.361 -0.957 23.258
349 HG13 VAL 54 HG13 VAL 54 11.445 -1.330 21.798
350 HG21 VAL 54 HG21 VAL 54 8.230 -1.898 23.560
351 HG22 VAL 54 HG22 VAL 54 9.336 -2.932 22.656
352 HG23 VAL 54 HG23 VAL 54 8.841 -1.376 21.990
Start of MODEL 3
1 H1 SER 5 HT1 SER 5 -11.664 -10.552 -7.789
2 H2 SER 5 HT2 SER 5 -12.922 -9.383 -7.796
3 H3 SER 5 HT3 SER 5 -13.212 -10.956 -7.171
4 HA SER 5 HA SER 5 -11.189 -9.154 -6.048
5 HB2 SER 5 HB2 SER 5 -13.656 -8.288 -6.160
6 HB3 SER 5 HB1 SER 5 -13.946 -9.489 -4.901
7 HG SER 5 HG SER 5 -12.103 -7.332 -4.821
8 H GLN 6 HN GLN 6 -9.883 -10.912 -5.536
9 HA GLN 6 HA GLN 6 -10.992 -13.177 -4.115
10 HB2 GLN 6 HB2 GLN 6 -9.169 -13.511 -5.726
11 HB3 GLN 6 HB1 GLN 6 -8.123 -12.472 -4.766
12 HG2 GLN 6 HG2 GLN 6 -8.262 -14.063 -2.909
13 HG3 GLN 6 HG1 GLN 6 -9.287 -15.107 -3.892
14 HE21 GLN 6 HE21 GLN 6 -6.723 -15.702 -2.698
15 HE22 GLN 6 HE22 GLN 6 -5.661 -16.126 -3.992
16 H GLY 7 HN GLY 7 -8.938 -10.385 -3.416
17 HA2 GLY 7 HA2 GLY 7 -9.306 -10.963 -0.540
18 HA3 GLY 7 HA1 GLY 7 -7.802 -10.322 -1.188
19 H GLU 8 HN GLU 8 -7.915 -8.506 0.168
20 HA GLU 8 HA GLU 8 -10.043 -6.589 -0.502
21 HB2 GLU 8 HB2 GLU 8 -9.692 -5.574 1.666
22 HB3 GLU 8 HB1 GLU 8 -9.968 -7.298 1.870
23 HG2 GLU 8 HG2 GLU 8 -7.559 -7.650 2.112
24 HG3 GLU 8 HG1 GLU 8 -7.296 -5.916 1.935
25 H CYS 9 HN CYS 9 -7.796 -6.941 -2.165
26 HA CYS 9 HA CYS 9 -6.214 -5.742 -3.274
27 HB2 CYS 9 HB2 CYS 9 -7.600 -3.499 -1.802
28 HB3 CYS 9 HB1 CYS 9 -6.340 -3.227 -3.001
29 HA PRO 10 HA PRO 10 -3.272 -5.994 0.235
30 HB2 PRO 10 HB2 PRO 10 -1.209 -6.912 -1.297
31 HB3 PRO 10 HB1 PRO 10 -2.448 -7.959 -0.597
32 HG2 PRO 10 HG2 PRO 10 -2.246 -6.860 -3.374
33 HG3 PRO 10 HG1 PRO 10 -2.686 -8.495 -2.846
34 HD2 PRO 10 HD2 PRO 10 -4.539 -6.690 -3.596
35 HD3 PRO 10 HD1 PRO 10 -4.849 -7.875 -2.309
36 H GLU 11 HN GLU 11 -0.674 -5.428 -0.087
37 HA GLU 11 HA GLU 11 -0.608 -2.634 -0.285
38 HB2 GLU 11 HB2 GLU 11 1.034 -4.473 0.800
39 HB3 GLU 11 HB1 GLU 11 1.933 -4.109 -0.664
40 HG2 GLU 11 HG2 GLU 11 2.497 -2.046 0.030
41 HG3 GLU 11 HG1 GLU 11 0.957 -1.781 0.845
42 H GLY 12 HN GLY 12 1.405 -1.722 -1.676
43 HA2 GLY 12 HA2 GLY 12 1.993 -0.970 -3.765
44 HA3 GLY 12 HA1 GLY 12 1.906 -2.658 -4.244
45 H ARG 13 HN ARG 13 -0.959 -1.206 -2.999
46 HA ARG 13 HA ARG 13 -2.008 -0.229 -5.459
47 HB2 ARG 13 HB2 ARG 13 -2.629 -2.192 -6.335
48 HB3 ARG 13 HB1 ARG 13 -2.220 -3.049 -4.858
49 HG2 ARG 13 HG2 ARG 13 -4.459 -2.104 -3.978
50 HG3 ARG 13 HG1 ARG 13 -4.813 -1.855 -5.692
51 HD2 ARG 13 HD2 ARG 13 -3.762 -4.499 -4.823
52 HD3 ARG 13 HD1 ARG 13 -5.443 -4.112 -4.470
53 HE ARG 13 HE ARG 13 -5.930 -4.208 -6.730
54 HH11 ARG 13 HH11 ARG 13 -2.481 -4.476 -6.235
55 HH12 ARG 13 HH12 ARG 13 -2.165 -4.986 -7.857
56 HH21 ARG 13 HH21 ARG 13 -5.510 -4.876 -8.863
57 HH22 ARG 13 HH22 ARG 13 -3.881 -5.213 -9.349
58 H ALA 14 HN ALA 14 -4.473 0.134 -5.214
59 HA ALA 14 HA ALA 14 -5.342 0.278 -2.466
60 HB1 ALA 14 HB1 ALA 14 -6.060 2.777 -3.131
61 HB2 ALA 14 HB2 ALA 14 -4.533 2.642 -4.006
62 HB3 ALA 14 HB3 ALA 14 -4.577 2.376 -2.261
63 H TYR 15 HN TYR 15 -7.613 0.976 -2.247
64 HA TYR 15 HA TYR 15 -9.198 0.473 -4.673
65 HB2 TYR 15 HB2 TYR 15 -9.275 -1.562 -3.383
66 HB3 TYR 15 HB1 TYR 15 -9.630 -0.672 -1.909
67 HD1 TYR 15 HD2 TYR 15 -11.025 -1.393 -5.290
68 HD2 TYR 15 HD1 TYR 15 -11.840 -0.388 -1.238
69 HE1 TYR 15 HE2 TYR 15 -13.430 -1.672 -5.712
70 HE2 TYR 15 HE1 TYR 15 -14.249 -0.663 -1.648
71 HH TYR 15 HH TYR 15 -15.638 -2.151 -3.528
72 H SER 16 HN SER 16 -10.420 2.193 -5.116
73 HA SER 16 HA SER 16 -10.984 4.138 -3.039
74 HB2 SER 16 HB2 SER 16 -10.718 5.522 -4.783
75 HB3 SER 16 HB1 SER 16 -10.753 4.175 -5.919
76 HG SER 16 HG SER 16 -12.606 6.023 -5.514
77 H GLN 17 HN GLN 17 -12.564 3.479 -1.700
78 HA GLN 17 HA GLN 17 -14.778 1.919 -2.390
79 HB2 GLN 17 HB2 GLN 17 -14.484 3.891 -0.120
80 HB3 GLN 17 HB1 GLN 17 -15.741 2.666 -0.238
81 HG2 GLN 17 HG2 GLN 17 -13.747 1.013 -0.406
82 HG3 GLN 17 HG1 GLN 17 -12.824 2.339 0.298
83 HE21 GLN 17 HE21 GLN 17 -15.444 0.088 0.794
84 HE22 GLN 17 HE22 GLN 17 -15.516 0.245 2.512
85 H ASP 18 HN ASP 18 -14.201 5.313 -2.685
86 HA ASP 18 HA ASP 18 -16.863 6.211 -2.868
87 HB2 ASP 18 HB2 ASP 18 -14.251 7.294 -3.902
88 HB3 ASP 18 HB1 ASP 18 -15.776 8.109 -4.234
89 H LEU 19 HN LEU 19 -14.515 5.493 -5.448
90 HA LEU 19 HA LEU 19 -16.523 5.597 -7.479
91 HB2 LEU 19 HB2 LEU 19 -13.631 4.766 -7.506
92 HB3 LEU 19 HB1 LEU 19 -14.644 4.736 -8.937
93 HG LEU 19 HG LEU 19 -14.770 7.321 -7.639
94 HD11 LEU 19 HD11 LEU 19 -12.286 7.685 -8.634
95 HD12 LEU 19 HD12 LEU 19 -12.126 6.073 -7.938
96 HD13 LEU 19 HD13 LEU 19 -12.641 7.423 -6.927
97 HD21 LEU 19 HD21 LEU 19 -15.446 7.407 -9.807
98 HD22 LEU 19 HD22 LEU 19 -14.303 6.171 -10.331
99 HD23 LEU 19 HD23 LEU 19 -13.747 7.819 -10.040
100 H GLY 20 HN GLY 20 -15.155 3.175 -5.450
101 HA2 GLY 20 HA2 GLY 20 -15.863 1.003 -5.098
102 HA3 GLY 20 HA1 GLY 20 -17.060 1.229 -6.364
103 H LYS 21 HN LYS 21 -13.501 1.398 -6.368
104 HA LYS 21 HA LYS 21 -13.280 -1.016 -7.923
105 HB2 LYS 21 HB2 LYS 21 -12.292 0.015 -9.903
106 HB3 LYS 21 HB1 LYS 21 -13.938 0.587 -9.663
107 HG2 LYS 21 HG2 LYS 21 -13.289 2.708 -9.413
108 HG3 LYS 21 HG1 LYS 21 -11.919 2.269 -8.390
109 HD2 LYS 21 HD2 LYS 21 -10.482 2.098 -10.154
110 HD3 LYS 21 HD1 LYS 21 -11.748 1.599 -11.277
111 HE2 LYS 21 HE2 LYS 21 -10.787 3.876 -11.702
112 HE3 LYS 21 HE1 LYS 21 -12.539 3.830 -11.505
113 HZ1 LYS 21 HZ1 LYS 21 -10.690 4.480 -9.282
114 HZ2 LYS 21 HZ2 LYS 21 -12.365 4.704 -9.337
115 HZ3 LYS 21 HZ3 LYS 21 -11.353 5.660 -10.298
116 H CYS 22 HN CYS 22 -11.092 -1.696 -8.215
117 HA CYS 22 HA CYS 22 -9.254 -0.367 -6.347
118 HB2 CYS 22 HB2 CYS 22 -9.996 -2.859 -6.097
119 HB3 CYS 22 HB1 CYS 22 -8.822 -3.143 -7.375
120 H MET 23 HN MET 23 -7.215 0.157 -6.916
121 HA MET 23 HA MET 23 -6.257 -0.453 -9.593
122 HB2 MET 23 HB2 MET 23 -6.845 1.593 -10.330
123 HB3 MET 23 HB1 MET 23 -7.234 2.147 -8.709
124 HG2 MET 23 HG2 MET 23 -4.831 2.550 -8.327
125 HG3 MET 23 HG1 MET 23 -4.532 2.135 -10.013
126 HE1 MET 23 HE1 MET 23 -6.721 4.468 -11.900
127 HE2 MET 23 HE2 MET 23 -5.716 3.019 -11.841
128 HE3 MET 23 HE3 MET 23 -4.971 4.601 -12.070
129 H GLU 24 HN GLU 24 -3.890 0.281 -9.773
130 HA GLU 24 HA GLU 24 -2.473 -0.796 -7.587
131 HB2 GLU 24 HB2 GLU 24 -0.451 -0.141 -8.801
132 HB3 GLU 24 HB1 GLU 24 -1.603 -0.942 -9.868
133 HG2 GLU 24 HG2 GLU 24 -2.350 1.337 -10.575
134 HG3 GLU 24 HG1 GLU 24 -0.994 1.980 -9.653
135 H CYS 25 HN CYS 25 -0.675 0.251 -6.545
136 HA CYS 25 HA CYS 25 -1.489 2.780 -5.375
137 HB2 CYS 25 HB2 CYS 25 -0.821 1.039 -3.835
138 HB3 CYS 25 HB1 CYS 25 0.707 0.821 -4.678
139 H SER 26 HN SER 26 0.924 1.477 -7.505
140 HA SER 26 HA SER 26 2.831 3.518 -7.401
141 HB2 SER 26 HB2 SER 26 1.997 1.589 -9.556
142 HB3 SER 26 HB1 SER 26 3.232 2.810 -9.864
143 HG SER 26 HG SER 26 3.289 0.816 -7.843
144 H VAL 27 HN VAL 27 -0.386 3.485 -8.593
145 HA VAL 27 HA VAL 27 -0.323 5.375 -10.628
146 HB VAL 27 HB VAL 27 -2.444 4.885 -8.542
147 HG11 VAL 27 HG11 VAL 27 -2.262 6.997 -10.516
148 HG12 VAL 27 HG12 VAL 27 -3.423 6.771 -9.209
149 HG13 VAL 27 HG13 VAL 27 -3.686 5.986 -10.767
150 HG21 VAL 27 HG21 VAL 27 -3.290 4.099 -11.097
151 HG22 VAL 27 HG22 VAL 27 -2.848 3.063 -9.741
152 HG23 VAL 27 HG23 VAL 27 -1.633 3.519 -10.934
153 H CYS 28 HN CYS 28 -0.612 5.894 -7.165
154 HA CYS 28 HA CYS 28 0.023 8.713 -7.581
155 HB2 CYS 28 HB2 CYS 28 -1.197 9.251 -5.582
156 HB3 CYS 28 HB1 CYS 28 -2.227 8.251 -6.601
157 H LYS 29 HN LYS 29 1.320 9.756 -5.909
158 HA LYS 29 HA LYS 29 3.054 7.894 -4.436
159 HB2 LYS 29 HB2 LYS 29 3.876 10.142 -6.260
160 HB3 LYS 29 HB1 LYS 29 4.940 9.554 -4.990
161 HG2 LYS 29 HG2 LYS 29 5.488 7.713 -6.132
162 HG3 LYS 29 HG1 LYS 29 3.833 7.442 -6.680
163 HD2 LYS 29 HD2 LYS 29 5.102 9.783 -7.887
164 HD3 LYS 29 HD1 LYS 29 5.924 8.266 -8.256
165 HE2 LYS 29 HE2 LYS 29 3.094 7.899 -8.488
166 HE3 LYS 29 HE1 LYS 29 3.579 9.310 -9.427
167 HZ1 LYS 29 HZ1 LYS 29 5.267 6.966 -9.712
168 HZ2 LYS 29 HZ2 LYS 29 4.719 8.056 -10.883
169 HZ3 LYS 29 HZ3 LYS 29 3.704 6.817 -10.342
170 H ASN 30 HN ASN 30 2.378 11.366 -4.881
171 HA ASN 30 HA ASN 30 1.734 11.692 -2.106
172 HB2 ASN 30 HB2 ASN 30 4.440 11.924 -2.774
173 HB3 ASN 30 HB1 ASN 30 3.866 13.584 -2.657
174 HD21 ASN 30 HD21 ASN 30 3.538 10.503 -0.926
175 HD22 ASN 30 HD22 ASN 30 3.688 11.181 0.656
176 H SER 31 HN SER 31 0.483 13.467 -1.774
177 HA SER 31 HA SER 31 -0.834 15.257 -2.257
178 HB2 SER 31 HB2 SER 31 1.784 15.899 -3.319
179 HB3 SER 31 HB1 SER 31 0.515 16.661 -4.276
180 HG SER 31 HG SER 31 -0.312 17.536 -2.330
181 H GLU 32 HN GLU 32 -2.601 14.382 -3.205
182 HA GLU 32 HA GLU 32 -3.021 14.840 -5.981
183 HB2 GLU 32 HB2 GLU 32 -1.688 12.669 -5.932
184 HB3 GLU 32 HB1 GLU 32 -3.091 11.938 -5.163
185 HG2 GLU 32 HG2 GLU 32 -4.433 12.267 -7.072
186 HG3 GLU 32 HG1 GLU 32 -3.252 13.353 -7.805
187 H LYS 33 HN LYS 33 -5.229 14.047 -6.664
188 HA LYS 33 HA LYS 33 -7.069 14.464 -4.439
189 HB2 LYS 33 HB2 LYS 33 -8.757 14.876 -6.145
190 HB3 LYS 33 HB1 LYS 33 -7.325 15.848 -6.456
191 HG2 LYS 33 HG2 LYS 33 -6.841 14.770 -8.382
192 HG3 LYS 33 HG1 LYS 33 -7.456 13.221 -7.800
193 HD2 LYS 33 HD2 LYS 33 -9.764 14.525 -7.909
194 HD3 LYS 33 HD1 LYS 33 -8.890 15.471 -9.115
195 HE2 LYS 33 HE2 LYS 33 -8.930 12.473 -9.211
196 HE3 LYS 33 HE1 LYS 33 -10.238 13.429 -9.907
197 HZ1 LYS 33 HZ1 LYS 33 -8.147 14.645 -10.982
198 HZ2 LYS 33 HZ2 LYS 33 -8.915 13.326 -11.712
199 HZ3 LYS 33 HZ3 LYS 33 -7.498 13.091 -10.820
200 H SER 34 HN SER 34 -5.858 11.992 -4.353
201 HA SER 34 HA SER 34 -7.942 10.139 -5.289
202 HB2 SER 34 HB2 SER 34 -5.053 9.640 -4.538
203 HB3 SER 34 HB1 SER 34 -6.208 8.362 -4.917
204 HG SER 34 HG SER 34 -6.501 9.591 -6.966
205 H ASP 35 HN ASP 35 -9.079 8.936 -3.856
206 HA ASP 35 HA ASP 35 -8.563 9.455 -1.012
207 HB2 ASP 35 HB2 ASP 35 -11.087 8.463 -2.353
208 HB3 ASP 35 HB1 ASP 35 -10.908 8.839 -0.642
209 H PHE 36 HN PHE 36 -7.968 7.098 -3.255
210 HA PHE 36 HA PHE 36 -8.418 4.903 -1.370
211 HB2 PHE 36 HB2 PHE 36 -8.496 3.444 -3.148
212 HB3 PHE 36 HB1 PHE 36 -9.172 4.893 -3.866
213 HD1 PHE 36 HD1 PHE 36 -6.470 6.337 -4.221
214 HD2 PHE 36 HD2 PHE 36 -7.806 2.404 -5.130
215 HE1 PHE 36 HE1 PHE 36 -4.787 6.183 -6.006
216 HE2 PHE 36 HE2 PHE 36 -6.125 2.239 -6.912
217 HZ PHE 36 HZ PHE 36 -4.611 4.127 -7.351
218 H CYS 37 HN CYS 37 -5.902 6.892 -2.456
219 HA CYS 37 HA CYS 37 -3.770 5.080 -2.355
220 HB2 CYS 37 HB2 CYS 37 -3.796 8.010 -1.594
221 HB3 CYS 37 HB1 CYS 37 -2.346 7.053 -1.872
222 H GLN 38 HN GLN 38 -5.949 5.757 0.023
223 HA GLN 38 HA GLN 38 -4.120 5.603 2.254
224 HB2 GLN 38 HB2 GLN 38 -6.419 5.263 3.460
225 HB3 GLN 38 HB1 GLN 38 -5.956 6.849 2.870
226 HG2 GLN 38 HG2 GLN 38 -7.518 6.843 1.216
227 HG3 GLN 38 HG1 GLN 38 -7.512 5.087 1.066
228 HE21 GLN 38 HE21 GLN 38 -9.367 7.592 1.922
229 HE22 GLN 38 HE22 GLN 38 -10.408 6.836 3.075
230 H ASN 39 HN ASN 39 -5.701 3.507 0.155
231 HA ASN 39 HA ASN 39 -5.935 1.278 1.950
232 HB2 ASN 39 HB2 ASN 39 -6.780 1.897 -0.706
233 HB3 ASN 39 HB1 ASN 39 -5.881 0.381 -0.744
234 HD21 ASN 39 HD21 ASN 39 -8.707 2.009 0.408
235 HD22 ASN 39 HD22 ASN 39 -9.544 0.605 0.964
236 H CYS 40 HN CYS 40 -3.707 2.337 -0.512
237 HA CYS 40 HA CYS 40 -2.005 0.286 -0.892
238 HB2 CYS 40 HB2 CYS 40 -1.734 2.484 -1.924
239 HB3 CYS 40 HB1 CYS 40 -1.205 3.156 -0.392
240 HA PRO 41 HA PRO 41 0.441 1.003 3.177
241 HB2 PRO 41 HB2 PRO 41 -0.448 2.759 5.000
242 HB3 PRO 41 HB1 PRO 41 0.521 3.279 3.615
243 HG2 PRO 41 HG2 PRO 41 -2.454 3.372 3.982
244 HG3 PRO 41 HG1 PRO 41 -1.368 4.632 3.364
245 HD2 PRO 41 HD2 PRO 41 -2.827 3.018 1.736
246 HD3 PRO 41 HD1 PRO 41 -1.249 3.680 1.276
247 H SER 42 HN SER 42 -0.469 -1.092 3.499
248 HA SER 42 HA SER 42 -2.946 -1.598 4.716
249 HB2 SER 42 HB2 SER 42 -2.273 -3.840 4.850
250 HB3 SER 42 HB1 SER 42 -1.340 -3.220 3.488
251 HG SER 42 HG SER 42 0.342 -2.814 5.157
252 H LYS 43 HN LYS 43 -3.165 -2.738 6.870
253 HA LYS 43 HA LYS 43 -3.079 -2.701 9.139
254 HB2 LYS 43 HB2 LYS 43 -0.450 -2.911 8.342
255 HB3 LYS 43 HB1 LYS 43 -0.414 -1.524 9.420
256 HG2 LYS 43 HG2 LYS 43 -1.967 -3.657 10.569
257 HG3 LYS 43 HG1 LYS 43 -0.356 -4.222 10.120
258 HD2 LYS 43 HD2 LYS 43 -0.496 -1.608 11.493
259 HD3 LYS 43 HD1 LYS 43 -0.907 -3.024 12.462
260 HE2 LYS 43 HE2 LYS 43 1.654 -2.495 10.970
261 HE3 LYS 43 HE1 LYS 43 1.433 -2.619 12.714
262 HZ1 LYS 43 HZ1 LYS 43 2.160 -4.703 12.315
263 HZ2 LYS 43 HZ2 LYS 43 1.621 -4.725 10.712
264 HZ3 LYS 43 HZ3 LYS 43 0.528 -4.987 11.976
265 H THR 44 HN THR 44 -2.986 -1.246 11.020
266 HA THR 44 HA THR 44 -2.574 1.553 10.659
267 HB THR 44 HB THR 44 -4.707 1.313 9.451
268 HG1 THR 44 HG1 THR 44 -5.104 2.585 11.950
269 HG21 THR 44 HG21 THR 44 -6.497 0.214 10.177
270 HG22 THR 44 HG22 THR 44 -6.342 0.858 11.811
271 HG23 THR 44 HG23 THR 44 -5.400 -0.551 11.326
272 H GLU 45 HN GLU 45 -2.790 2.738 12.607
273 HA GLU 45 HA GLU 45 -3.867 1.740 14.994
274 HB2 GLU 45 HB2 GLU 45 -1.651 1.317 16.180
275 HB3 GLU 45 HB1 GLU 45 -2.207 0.065 15.078
276 HG2 GLU 45 HG2 GLU 45 0.032 0.237 14.565
277 HG3 GLU 45 HG1 GLU 45 -0.721 1.256 13.340
278 H GLN 46 HN GLN 46 -2.750 2.928 16.964
279 HA GLN 46 HA GLN 46 -2.936 5.705 16.398
280 HB2 GLN 46 HB2 GLN 46 -2.452 6.023 18.774
281 HB3 GLN 46 HB1 GLN 46 -3.657 4.763 18.541
282 HG2 GLN 46 HG2 GLN 46 -1.503 3.220 18.601
283 HG3 GLN 46 HG1 GLN 46 -0.876 4.574 19.541
284 HE21 GLN 46 HE21 GLN 46 -3.684 2.428 19.306
285 HE22 GLN 46 HE22 GLN 46 -3.971 2.332 21.006
286 HA PRO 47 HA PRO 47 1.409 6.231 15.465
287 HB2 PRO 47 HB2 PRO 47 1.311 8.770 14.653
288 HB3 PRO 47 HB1 PRO 47 0.571 7.479 13.699
289 HG2 PRO 47 HG2 PRO 47 -0.716 9.459 15.531
290 HG3 PRO 47 HG1 PRO 47 -1.275 8.858 13.960
291 HD2 PRO 47 HD2 PRO 47 -2.157 7.937 16.424
292 HD3 PRO 47 HD1 PRO 47 -2.288 7.044 14.897
293 H ASP 48 HN ASP 48 0.844 6.267 18.208
294 HA ASP 48 HA ASP 48 1.561 7.092 20.204
295 HB2 ASP 48 HB2 ASP 48 3.699 8.240 18.401
296 HB3 ASP 48 HB1 ASP 48 3.790 8.228 20.159
297 H PHE 49 HN PHE 49 -0.494 8.579 19.048
298 HA PHE 49 HA PHE 49 -0.003 11.341 18.933
299 HB2 PHE 49 HB2 PHE 49 -2.046 10.225 18.049
300 HB3 PHE 49 HB1 PHE 49 -2.591 9.986 19.705
301 HD1 PHE 49 HD2 PHE 49 -3.270 11.894 21.077
302 HD2 PHE 49 HD1 PHE 49 -2.178 12.363 16.991
303 HE1 PHE 49 HE2 PHE 49 -4.323 14.117 21.055
304 HE2 PHE 49 HE1 PHE 49 -3.227 14.588 16.962
305 HZ PHE 49 HZ PHE 49 -4.303 15.468 18.996
306 HA PRO 50 HA PRO 50 -1.256 11.458 23.570
307 HB2 PRO 50 HB2 PRO 50 -1.052 8.786 24.658
308 HB3 PRO 50 HB1 PRO 50 -2.474 9.822 24.550
309 HG2 PRO 50 HG2 PRO 50 -2.164 7.514 23.115
310 HG3 PRO 50 HG1 PRO 50 -3.172 8.874 22.591
311 HD2 PRO 50 HD2 PRO 50 -0.394 8.135 21.743
312 HD3 PRO 50 HD1 PRO 50 -1.752 8.718 20.758
313 H TRP 51 HN TRP 51 1.209 11.853 22.626
314 HA TRP 51 HA TRP 51 2.882 11.141 24.892
315 HB2 TRP 51 HB2 TRP 51 3.104 9.762 22.421
316 HB3 TRP 51 HB1 TRP 51 4.507 10.818 22.550
317 HD1 TRP 51 HD1 TRP 51 2.923 9.148 25.624
318 HE1 TRP 51 HE1 TRP 51 4.629 7.502 26.625
319 HE3 TRP 51 HE3 TRP 51 6.525 9.405 22.003
320 HZ2 TRP 51 HZ2 TRP 51 7.166 6.453 25.970
321 HZ3 TRP 51 HZ3 TRP 51 8.561 8.049 22.267
322 HH2 TRP 51 HH2 TRP 51 8.873 6.604 24.212
323 H ILE 52 HN ILE 52 5.308 12.067 23.901
324 HA ILE 52 HA ILE 52 5.006 14.856 24.205
325 HB ILE 52 HB ILE 52 7.343 13.152 23.357
326 HG12 ILE 52 HG12 ILE 52 8.228 13.763 25.547
327 HG13 ILE 52 HG11 ILE 52 6.849 14.820 25.834
328 HG21 ILE 52 HG21 ILE 52 8.067 15.030 22.302
329 HG22 ILE 52 HG22 ILE 52 8.569 15.444 23.942
330 HG23 ILE 52 HG23 ILE 52 7.070 16.101 23.287
331 HD11 ILE 52 HD11 ILE 52 5.367 12.970 25.976
332 HD12 ILE 52 HD12 ILE 52 6.760 12.622 27.001
333 HD13 ILE 52 HD13 ILE 52 6.616 11.854 25.420
334 H TRP 53 HN TRP 53 4.994 16.516 22.768
335 HA TRP 53 HA TRP 53 4.056 16.030 20.149
336 HB2 TRP 53 HB2 TRP 53 3.821 18.130 21.722
337 HB3 TRP 53 HB1 TRP 53 5.284 18.655 20.894
338 HD1 TRP 53 HD1 TRP 53 4.562 20.392 19.159
339 HE1 TRP 53 HE1 TRP 53 2.728 20.549 17.361
340 HE3 TRP 53 HE3 TRP 53 2.049 16.056 20.177
341 HZ2 TRP 53 HZ2 TRP 53 0.510 19.038 16.489
342 HZ3 TRP 53 HZ3 TRP 53 0.081 15.487 18.815
343 HH2 TRP 53 HH2 TRP 53 -0.672 16.949 17.009
344 H VAL 54 HN VAL 54 5.205 15.318 18.491
345 HA VAL 54 HA VAL 54 8.091 15.755 18.421
346 HB VAL 54 HB VAL 54 6.425 14.109 16.516
347 HG11 VAL 54 HG11 VAL 54 8.817 14.908 15.953
348 HG12 VAL 54 HG12 VAL 54 8.412 13.207 15.728
349 HG13 VAL 54 HG13 VAL 54 9.325 13.716 17.150
350 HG21 VAL 54 HG21 VAL 54 6.028 12.860 18.357
351 HG22 VAL 54 HG22 VAL 54 7.395 13.535 19.244
352 HG23 VAL 54 HG23 VAL 54 7.660 12.271 18.041
Start of MODEL 4
1 H1 SER 5 HT1 SER 5 -10.435 -16.435 -0.341
2 H2 SER 5 HT2 SER 5 -11.728 -16.079 -1.412
3 H3 SER 5 HT3 SER 5 -11.507 -17.679 -0.831
4 HA SER 5 HA SER 5 -13.315 -16.364 0.210
5 HB2 SER 5 HB2 SER 5 -12.440 -18.409 1.186
6 HB3 SER 5 HB1 SER 5 -11.060 -17.538 1.857
7 HG SER 5 HG SER 5 -13.786 -17.134 2.544
8 H GLN 6 HN GLN 6 -10.087 -15.593 1.530
9 HA GLN 6 HA GLN 6 -11.156 -12.994 2.396
10 HB2 GLN 6 HB2 GLN 6 -10.071 -14.659 4.046
11 HB3 GLN 6 HB1 GLN 6 -8.548 -14.178 3.313
12 HG2 GLN 6 HG2 GLN 6 -9.498 -11.758 3.837
13 HG3 GLN 6 HG1 GLN 6 -10.374 -12.655 5.076
14 HE21 GLN 6 HE21 GLN 6 -7.200 -11.819 3.856
15 HE22 GLN 6 HE22 GLN 6 -6.342 -12.134 5.322
16 H GLY 7 HN GLY 7 -10.739 -11.401 1.018
17 HA2 GLY 7 HA2 GLY 7 -8.006 -10.987 0.114
18 HA3 GLY 7 HA1 GLY 7 -9.193 -11.253 -1.155
19 H GLU 8 HN GLU 8 -7.529 -8.901 0.240
20 HA GLU 8 HA GLU 8 -9.654 -6.933 -0.239
21 HB2 GLU 8 HB2 GLU 8 -7.741 -6.941 2.100
22 HB3 GLU 8 HB1 GLU 8 -8.765 -5.580 1.664
23 HG2 GLU 8 HG2 GLU 8 -10.737 -6.785 2.166
24 HG3 GLU 8 HG1 GLU 8 -9.857 -8.306 2.294
25 H CYS 9 HN CYS 9 -7.729 -7.707 -2.085
26 HA CYS 9 HA CYS 9 -6.252 -6.824 -3.565
27 HB2 CYS 9 HB2 CYS 9 -7.499 -4.493 -2.295
28 HB3 CYS 9 HB1 CYS 9 -5.911 -4.158 -2.973
29 HA PRO 10 HA PRO 10 -2.455 -7.330 -1.295
30 HB2 PRO 10 HB2 PRO 10 -0.740 -6.838 -3.381
31 HB3 PRO 10 HB1 PRO 10 -1.548 -8.384 -3.101
32 HG2 PRO 10 HG2 PRO 10 -2.296 -6.163 -4.959
33 HG3 PRO 10 HG1 PRO 10 -2.311 -7.914 -5.245
34 HD2 PRO 10 HD2 PRO 10 -4.568 -6.569 -4.708
35 HD3 PRO 10 HD1 PRO 10 -4.301 -8.211 -4.088
36 H GLU 11 HN GLU 11 -0.122 -6.064 -1.687
37 HA GLU 11 HA GLU 11 -0.602 -3.493 -0.546
38 HB2 GLU 11 HB2 GLU 11 1.851 -5.098 -1.177
39 HB3 GLU 11 HB1 GLU 11 1.986 -3.421 -0.669
40 HG2 GLU 11 HG2 GLU 11 0.768 -3.969 1.393
41 HG3 GLU 11 HG1 GLU 11 0.700 -5.656 0.885
42 H GLY 12 HN GLY 12 1.131 -1.742 -1.328
43 HA2 GLY 12 HA2 GLY 12 1.506 -0.086 -2.867
44 HA3 GLY 12 HA1 GLY 12 1.838 -1.408 -3.974
45 H ARG 13 HN ARG 13 -1.318 -1.191 -2.598
46 HA ARG 13 HA ARG 13 -2.460 0.285 -4.802
47 HB2 ARG 13 HB2 ARG 13 -3.759 -1.555 -5.603
48 HB3 ARG 13 HB1 ARG 13 -2.067 -2.043 -5.555
49 HG2 ARG 13 HG2 ARG 13 -2.367 -3.504 -3.885
50 HG3 ARG 13 HG1 ARG 13 -3.684 -2.579 -3.159
51 HD2 ARG 13 HD2 ARG 13 -4.405 -4.747 -4.139
52 HD3 ARG 13 HD1 ARG 13 -5.218 -3.351 -4.835
53 HE ARG 13 HE ARG 13 -3.205 -5.025 -6.144
54 HH11 ARG 13 HH11 ARG 13 -5.475 -2.371 -6.328
55 HH12 ARG 13 HH12 ARG 13 -5.447 -2.314 -8.057
56 HH21 ARG 13 HH21 ARG 13 -3.173 -4.942 -8.412
57 HH22 ARG 13 HH22 ARG 13 -4.144 -3.769 -9.240
58 H ALA 14 HN ALA 14 -4.993 0.017 -4.619
59 HA ALA 14 HA ALA 14 -6.057 -0.556 -2.061
60 HB1 ALA 14 HB1 ALA 14 -6.702 1.875 -1.582
61 HB2 ALA 14 HB2 ALA 14 -5.380 2.290 -2.672
62 HB3 ALA 14 HB3 ALA 14 -5.056 1.356 -1.211
63 H TYR 15 HN TYR 15 -8.310 0.664 -1.842
64 HA TYR 15 HA TYR 15 -9.617 0.550 -4.480
65 HB2 TYR 15 HB2 TYR 15 -10.160 -1.423 -3.084
66 HB3 TYR 15 HB1 TYR 15 -10.776 -0.350 -1.833
67 HD1 TYR 15 HD1 TYR 15 -12.699 1.256 -2.550
68 HD2 TYR 15 HD2 TYR 15 -11.612 -2.254 -4.696
69 HE1 TYR 15 HE1 TYR 15 -14.918 1.223 -3.609
70 HE2 TYR 15 HE2 TYR 15 -13.828 -2.296 -5.761
71 HH TYR 15 HH TYR 15 -16.422 -0.362 -4.689
72 H SER 16 HN SER 16 -10.567 2.384 -5.058
73 HA SER 16 HA SER 16 -11.040 4.428 -3.023
74 HB2 SER 16 HB2 SER 16 -9.744 5.108 -4.988
75 HB3 SER 16 HB1 SER 16 -11.068 4.622 -6.046
76 HG SER 16 HG SER 16 -12.357 6.219 -4.965
77 H GLN 17 HN GLN 17 -12.982 4.585 -2.156
78 HA GLN 17 HA GLN 17 -15.266 3.281 -3.144
79 HB2 GLN 17 HB2 GLN 17 -14.864 5.419 -1.068
80 HB3 GLN 17 HB1 GLN 17 -16.469 4.827 -1.474
81 HG2 GLN 17 HG2 GLN 17 -14.441 2.779 -0.849
82 HG3 GLN 17 HG1 GLN 17 -14.963 3.805 0.486
83 HE21 GLN 17 HE21 GLN 17 -16.237 1.820 -2.152
84 HE22 GLN 17 HE22 GLN 17 -17.623 1.253 -1.292
85 H ASP 18 HN ASP 18 -13.938 6.430 -3.693
86 HA ASP 18 HA ASP 18 -16.211 7.750 -4.668
87 HB2 ASP 18 HB2 ASP 18 -13.555 8.404 -4.300
88 HB3 ASP 18 HB1 ASP 18 -13.725 8.448 -6.051
89 H LEU 19 HN LEU 19 -13.700 5.924 -6.400
90 HA LEU 19 HA LEU 19 -15.145 6.094 -8.877
91 HB2 LEU 19 HB2 LEU 19 -12.776 4.326 -8.402
92 HB3 LEU 19 HB1 LEU 19 -13.287 5.096 -9.893
93 HG LEU 19 HG LEU 19 -12.087 6.502 -7.506
94 HD11 LEU 19 HD11 LEU 19 -10.407 6.986 -9.534
95 HD12 LEU 19 HD12 LEU 19 -10.980 5.387 -10.006
96 HD13 LEU 19 HD13 LEU 19 -10.223 5.622 -8.431
97 HD21 LEU 19 HD21 LEU 19 -12.791 7.627 -10.212
98 HD22 LEU 19 HD22 LEU 19 -12.145 8.502 -8.823
99 HD23 LEU 19 HD23 LEU 19 -13.775 7.833 -8.763
100 H GLY 20 HN GLY 20 -14.774 3.865 -6.269
101 HA2 GLY 20 HA2 GLY 20 -15.993 1.972 -5.769
102 HA3 GLY 20 HA1 GLY 20 -16.926 2.242 -7.233
103 H LYS 21 HN LYS 21 -13.507 1.490 -6.523
104 HA LYS 21 HA LYS 21 -13.574 -1.126 -7.523
105 HB2 LYS 21 HB2 LYS 21 -12.288 -0.707 -9.665
106 HB3 LYS 21 HB1 LYS 21 -13.995 -0.286 -9.699
107 HG2 LYS 21 HG2 LYS 21 -13.588 1.923 -9.931
108 HG3 LYS 21 HG1 LYS 21 -12.127 1.871 -8.943
109 HD2 LYS 21 HD2 LYS 21 -10.949 0.759 -10.813
110 HD3 LYS 21 HD1 LYS 21 -12.405 0.928 -11.796
111 HE2 LYS 21 HE2 LYS 21 -12.271 3.340 -11.638
112 HE3 LYS 21 HE1 LYS 21 -10.887 3.219 -10.553
113 HZ1 LYS 21 HZ1 LYS 21 -9.985 1.832 -12.621
114 HZ2 LYS 21 HZ2 LYS 21 -9.769 3.503 -12.474
115 HZ3 LYS 21 HZ3 LYS 21 -11.017 2.894 -13.441
116 H CYS 22 HN CYS 22 -11.465 -2.116 -7.625
117 HA CYS 22 HA CYS 22 -9.578 -0.777 -5.869
118 HB2 CYS 22 HB2 CYS 22 -10.367 -3.407 -6.131
119 HB3 CYS 22 HB1 CYS 22 -8.788 -3.395 -6.909
120 H MET 23 HN MET 23 -7.617 -0.020 -6.433
121 HA MET 23 HA MET 23 -6.522 -0.627 -9.054
122 HB2 MET 23 HB2 MET 23 -7.346 1.303 -9.878
123 HB3 MET 23 HB1 MET 23 -7.799 1.882 -8.282
124 HG2 MET 23 HG2 MET 23 -6.302 3.466 -8.782
125 HG3 MET 23 HG1 MET 23 -5.188 2.277 -8.125
126 HE1 MET 23 HE1 MET 23 -5.100 4.337 -11.956
127 HE2 MET 23 HE2 MET 23 -6.298 4.440 -10.666
128 HE3 MET 23 HE3 MET 23 -6.562 3.355 -12.031
129 H GLU 24 HN GLU 24 -4.229 0.257 -9.217
130 HA GLU 24 HA GLU 24 -2.778 -0.513 -6.923
131 HB2 GLU 24 HB2 GLU 24 -0.794 0.053 -8.167
132 HB3 GLU 24 HB1 GLU 24 -1.928 -0.758 -9.245
133 HG2 GLU 24 HG2 GLU 24 -2.576 1.371 -10.187
134 HG3 GLU 24 HG1 GLU 24 -1.523 2.206 -9.047
135 H CYS 25 HN CYS 25 -1.142 0.763 -5.862
136 HA CYS 25 HA CYS 25 -2.204 3.391 -5.146
137 HB2 CYS 25 HB2 CYS 25 -1.599 1.610 -3.414
138 HB3 CYS 25 HB1 CYS 25 0.083 1.966 -3.791
139 H SER 26 HN SER 26 0.578 1.896 -6.610
140 HA SER 26 HA SER 26 2.345 4.076 -6.506
141 HB2 SER 26 HB2 SER 26 3.076 2.878 -8.818
142 HB3 SER 26 HB1 SER 26 3.503 2.249 -7.228
143 HG SER 26 HG SER 26 1.126 1.505 -8.568
144 H VAL 27 HN VAL 27 -0.579 3.649 -8.204
145 HA VAL 27 HA VAL 27 -0.096 5.127 -10.537
146 HB VAL 27 HB VAL 27 -2.156 3.723 -9.868
147 HG11 VAL 27 HG11 VAL 27 -3.087 6.413 -8.910
148 HG12 VAL 27 HG12 VAL 27 -2.809 4.992 -7.903
149 HG13 VAL 27 HG13 VAL 27 -4.091 4.978 -9.112
150 HG21 VAL 27 HG21 VAL 27 -1.993 6.109 -11.601
151 HG22 VAL 27 HG22 VAL 27 -3.589 5.409 -11.341
152 HG23 VAL 27 HG23 VAL 27 -2.295 4.422 -12.020
153 H CYS 28 HN CYS 28 -1.350 6.156 -7.433
154 HA CYS 28 HA CYS 28 -1.522 8.901 -8.179
155 HB2 CYS 28 HB2 CYS 28 -2.273 9.332 -5.975
156 HB3 CYS 28 HB1 CYS 28 -2.933 7.762 -6.415
157 H LYS 29 HN LYS 29 -0.461 10.606 -6.756
158 HA LYS 29 HA LYS 29 2.273 9.934 -5.987
159 HB2 LYS 29 HB2 LYS 29 2.077 10.716 -8.463
160 HB3 LYS 29 HB1 LYS 29 1.817 12.309 -7.768
161 HG2 LYS 29 HG2 LYS 29 3.961 12.417 -6.888
162 HG3 LYS 29 HG1 LYS 29 4.186 10.668 -6.968
163 HD2 LYS 29 HD2 LYS 29 4.712 10.701 -9.193
164 HD3 LYS 29 HD1 LYS 29 3.732 12.133 -9.514
165 HE2 LYS 29 HE2 LYS 29 6.290 12.201 -7.929
166 HE3 LYS 29 HE1 LYS 29 6.229 12.452 -9.673
167 HZ1 LYS 29 HZ1 LYS 29 4.548 14.065 -7.864
168 HZ2 LYS 29 HZ2 LYS 29 5.077 14.428 -9.429
169 HZ3 LYS 29 HZ3 LYS 29 6.165 14.484 -8.135
170 H ASN 30 HN ASN 30 3.362 11.984 -5.055
171 HA ASN 30 HA ASN 30 1.946 12.843 -2.836
172 HB2 ASN 30 HB2 ASN 30 4.514 13.381 -4.029
173 HB3 ASN 30 HB1 ASN 30 3.822 14.873 -3.399
174 HD21 ASN 30 HD21 ASN 30 5.023 11.717 -2.626
175 HD22 ASN 30 HD22 ASN 30 5.120 11.945 -0.917
176 H SER 31 HN SER 31 2.019 14.156 -6.062
177 HA SER 31 HA SER 31 0.373 16.432 -5.186
178 HB2 SER 31 HB2 SER 31 1.684 16.128 -7.889
179 HB3 SER 31 HB1 SER 31 1.048 17.596 -7.148
180 HG SER 31 HG SER 31 2.723 17.232 -5.497
181 H GLU 32 HN GLU 32 -1.534 15.141 -5.023
182 HA GLU 32 HA GLU 32 -3.040 15.060 -7.450
183 HB2 GLU 32 HB2 GLU 32 -1.574 12.818 -7.115
184 HB3 GLU 32 HB1 GLU 32 -3.006 12.377 -6.197
185 HG2 GLU 32 HG2 GLU 32 -4.181 12.006 -8.039
186 HG3 GLU 32 HG1 GLU 32 -3.707 13.553 -8.738
187 H LYS 33 HN LYS 33 -5.144 13.503 -6.789
188 HA LYS 33 HA LYS 33 -6.010 14.479 -4.150
189 HB2 LYS 33 HB2 LYS 33 -8.216 14.958 -5.058
190 HB3 LYS 33 HB1 LYS 33 -6.991 15.859 -5.941
191 HG2 LYS 33 HG2 LYS 33 -7.780 13.223 -7.034
192 HG3 LYS 33 HG1 LYS 33 -8.952 14.536 -7.148
193 HD2 LYS 33 HD2 LYS 33 -6.101 14.639 -8.135
194 HD3 LYS 33 HD1 LYS 33 -7.526 14.393 -9.145
195 HE2 LYS 33 HE2 LYS 33 -7.528 16.616 -9.390
196 HE3 LYS 33 HE1 LYS 33 -8.172 16.662 -7.748
197 HZ1 LYS 33 HZ1 LYS 33 -6.394 18.006 -7.466
198 HZ2 LYS 33 HZ2 LYS 33 -5.496 17.299 -8.713
199 HZ3 LYS 33 HZ3 LYS 33 -5.596 16.536 -7.207
200 H SER 34 HN SER 34 -4.946 11.932 -4.613
201 HA SER 34 HA SER 34 -7.025 10.015 -5.036
202 HB2 SER 34 HB2 SER 34 -4.348 9.850 -5.180
203 HB3 SER 34 HB1 SER 34 -4.582 9.218 -3.551
204 HG SER 34 HG SER 34 -5.062 7.424 -4.517
205 H ASP 35 HN ASP 35 -8.148 8.798 -3.569
206 HA ASP 35 HA ASP 35 -7.976 9.665 -0.757
207 HB2 ASP 35 HB2 ASP 35 -10.086 10.221 -2.194
208 HB3 ASP 35 HB1 ASP 35 -10.488 8.523 -1.944
209 H PHE 36 HN PHE 36 -7.734 7.043 -2.907
210 HA PHE 36 HA PHE 36 -8.220 5.078 -0.795
211 HB2 PHE 36 HB2 PHE 36 -8.540 3.475 -2.468
212 HB3 PHE 36 HB1 PHE 36 -9.220 4.931 -3.176
213 HD1 PHE 36 HD1 PHE 36 -6.514 6.221 -3.869
214 HD2 PHE 36 HD2 PHE 36 -8.112 2.331 -4.491
215 HE1 PHE 36 HE1 PHE 36 -5.036 5.932 -5.805
216 HE2 PHE 36 HE2 PHE 36 -6.630 2.032 -6.432
217 HZ PHE 36 HZ PHE 36 -5.087 3.839 -7.082
218 H CYS 37 HN CYS 37 -5.606 6.632 -2.332
219 HA CYS 37 HA CYS 37 -3.730 4.539 -2.185
220 HB2 CYS 37 HB2 CYS 37 -3.582 7.500 -2.395
221 HB3 CYS 37 HB1 CYS 37 -2.129 6.654 -1.868
222 H GLN 38 HN GLN 38 -5.506 5.696 0.248
223 HA GLN 38 HA GLN 38 -3.399 5.696 2.251
224 HB2 GLN 38 HB2 GLN 38 -6.177 5.709 3.193
225 HB3 GLN 38 HB1 GLN 38 -4.856 6.796 3.596
226 HG2 GLN 38 HG2 GLN 38 -6.549 6.926 1.113
227 HG3 GLN 38 HG1 GLN 38 -6.725 7.954 2.535
228 HE21 GLN 38 HE21 GLN 38 -5.346 9.646 2.838
229 HE22 GLN 38 HE22 GLN 38 -4.170 10.141 1.673
230 H ASN 39 HN ASN 39 -5.506 3.572 0.680
231 HA ASN 39 HA ASN 39 -5.799 1.686 2.826
232 HB2 ASN 39 HB2 ASN 39 -6.952 2.034 0.294
233 HB3 ASN 39 HB1 ASN 39 -6.083 0.502 0.202
234 HD21 ASN 39 HD21 ASN 39 -7.200 -1.201 0.775
235 HD22 ASN 39 HD22 ASN 39 -8.536 -1.229 1.869
236 H CYS 40 HN CYS 40 -3.727 2.041 0.027
237 HA CYS 40 HA CYS 40 -2.303 -0.354 0.253
238 HB2 CYS 40 HB2 CYS 40 -0.832 0.534 -1.339
239 HB3 CYS 40 HB1 CYS 40 -2.329 1.401 -1.656
240 HA PRO 41 HA PRO 41 0.361 0.017 3.749
241 HB2 PRO 41 HB2 PRO 41 2.841 -0.506 2.602
242 HB3 PRO 41 HB1 PRO 41 1.698 -1.727 3.169
243 HG2 PRO 41 HG2 PRO 41 2.159 -0.698 0.401
244 HG3 PRO 41 HG1 PRO 41 1.829 -2.354 0.945
245 HD2 PRO 41 HD2 PRO 41 -0.087 -0.874 -0.185
246 HD3 PRO 41 HD1 PRO 41 -0.454 -1.952 1.179
247 H SER 42 HN SER 42 2.750 0.968 4.227
248 HA SER 42 HA SER 42 3.020 3.554 2.873
249 HB2 SER 42 HB2 SER 42 3.471 4.503 5.254
250 HB3 SER 42 HB1 SER 42 1.802 4.266 4.737
251 HG SER 42 HG SER 42 3.305 2.405 6.267
252 H LYS 43 HN LYS 43 5.083 4.678 3.562
253 HA LYS 43 HA LYS 43 7.201 3.300 4.773
254 HB2 LYS 43 HB2 LYS 43 7.034 1.802 2.843
255 HB3 LYS 43 HB1 LYS 43 7.196 3.171 1.752
256 HG2 LYS 43 HG2 LYS 43 9.448 3.532 2.398
257 HG3 LYS 43 HG1 LYS 43 9.307 2.409 3.752
258 HD2 LYS 43 HD2 LYS 43 9.740 0.638 2.454
259 HD3 LYS 43 HD1 LYS 43 8.624 1.184 1.200
260 HE2 LYS 43 HE2 LYS 43 10.731 1.168 0.169
261 HE3 LYS 43 HE1 LYS 43 10.429 2.861 0.554
262 HZ1 LYS 43 HZ1 LYS 43 12.055 2.894 2.111
263 HZ2 LYS 43 HZ2 LYS 43 12.697 1.671 1.136
264 HZ3 LYS 43 HZ3 LYS 43 11.853 1.270 2.545
265 H THR 44 HN THR 44 8.668 4.781 5.329
266 HA THR 44 HA THR 44 9.621 6.822 3.630
267 HB THR 44 HB THR 44 7.497 7.892 3.941
268 HG1 THR 44 HG1 THR 44 8.171 9.782 5.064
269 HG21 THR 44 HG21 THR 44 6.516 6.923 5.822
270 HG22 THR 44 HG22 THR 44 6.817 8.598 6.286
271 HG23 THR 44 HG23 THR 44 7.891 7.319 6.854
272 H GLU 45 HN GLU 45 10.985 8.435 4.875
273 HA GLU 45 HA GLU 45 12.352 6.992 7.021
274 HB2 GLU 45 HB2 GLU 45 13.237 9.402 5.424
275 HB3 GLU 45 HB1 GLU 45 14.214 8.543 6.607
276 HG2 GLU 45 HG2 GLU 45 14.940 7.754 4.536
277 HG3 GLU 45 HG1 GLU 45 13.886 6.486 5.157
278 H GLN 46 HN GLN 46 13.579 8.825 8.477
279 HA GLN 46 HA GLN 46 11.402 10.062 9.934
280 HB2 GLN 46 HB2 GLN 46 13.933 8.974 10.603
281 HB3 GLN 46 HB1 GLN 46 13.965 10.670 11.063
282 HG2 GLN 46 HG2 GLN 46 11.501 9.770 11.954
283 HG3 GLN 46 HG1 GLN 46 12.606 8.439 12.298
284 HE21 GLN 46 HE21 GLN 46 14.404 8.825 13.652
285 HE22 GLN 46 HE22 GLN 46 14.404 10.135 14.780
286 HA PRO 47 HA PRO 47 11.776 14.097 8.122
287 HB2 PRO 47 HB2 PRO 47 11.132 15.024 10.878
288 HB3 PRO 47 HB1 PRO 47 10.359 15.434 9.342
289 HG2 PRO 47 HG2 PRO 47 9.182 13.764 11.046
290 HG3 PRO 47 HG1 PRO 47 9.110 13.480 9.297
291 HD2 PRO 47 HD2 PRO 47 10.772 12.121 11.371
292 HD3 PRO 47 HD1 PRO 47 9.999 11.446 9.923
293 H ASP 48 HN ASP 48 13.578 15.211 7.759
294 HA ASP 48 HA ASP 48 15.253 16.069 9.978
295 HB2 ASP 48 HB2 ASP 48 15.946 13.750 8.731
296 HB3 ASP 48 HB1 ASP 48 16.813 14.924 7.747
297 H PHE 49 HN PHE 49 13.563 17.547 8.312
298 HA PHE 49 HA PHE 49 15.501 19.066 6.691
299 HB2 PHE 49 HB2 PHE 49 12.515 18.975 6.238
300 HB3 PHE 49 HB1 PHE 49 13.737 19.680 5.185
301 HD1 PHE 49 HD2 PHE 49 15.194 18.254 3.843
302 HD2 PHE 49 HD1 PHE 49 12.096 16.619 6.260
303 HE1 PHE 49 HE2 PHE 49 15.369 16.125 2.622
304 HE2 PHE 49 HE1 PHE 49 12.267 14.488 5.043
305 HZ PHE 49 HZ PHE 49 13.903 14.239 3.221
306 HA PRO 50 HA PRO 50 14.771 22.602 9.211
307 HB2 PRO 50 HB2 PRO 50 14.831 24.612 7.359
308 HB3 PRO 50 HB1 PRO 50 16.276 23.787 7.954
309 HG2 PRO 50 HG2 PRO 50 14.741 23.336 5.424
310 HG3 PRO 50 HG1 PRO 50 16.497 23.383 5.676
311 HD2 PRO 50 HD2 PRO 50 15.152 21.061 5.437
312 HD3 PRO 50 HD1 PRO 50 16.566 21.225 6.501
313 H TRP 51 HN TRP 51 12.854 22.986 10.110
314 HA TRP 51 HA TRP 51 10.689 23.606 10.409
315 HB2 TRP 51 HB2 TRP 51 11.279 25.035 7.821
316 HB3 TRP 51 HB1 TRP 51 9.717 25.159 8.624
317 HD1 TRP 51 HD1 TRP 51 10.789 25.383 11.631
318 HE1 TRP 51 HE1 TRP 51 11.935 27.559 12.391
319 HE3 TRP 51 HE3 TRP 51 12.132 27.236 7.059
320 HZ2 TRP 51 HZ2 TRP 51 13.236 29.768 11.210
321 HZ3 TRP 51 HZ3 TRP 51 13.323 29.387 6.962
322 HH2 TRP 51 HH2 TRP 51 13.862 30.625 8.995
323 H ILE 52 HN ILE 52 9.151 22.127 10.360
324 HA ILE 52 HA ILE 52 8.800 20.405 8.068
325 HB ILE 52 HB ILE 52 7.106 20.452 10.561
326 HG12 ILE 52 HG12 ILE 52 9.428 20.276 11.260
327 HG13 ILE 52 HG11 ILE 52 8.640 18.711 11.442
328 HG21 ILE 52 HG21 ILE 52 6.971 17.976 9.968
329 HG22 ILE 52 HG22 ILE 52 7.635 18.437 8.400
330 HG23 ILE 52 HG23 ILE 52 6.092 19.103 8.935
331 HD11 ILE 52 HD11 ILE 52 9.667 17.952 9.367
332 HD12 ILE 52 HD12 ILE 52 10.878 18.476 10.538
333 HD13 ILE 52 HD13 ILE 52 10.452 19.520 9.181
334 H TRP 53 HN TRP 53 6.646 19.982 7.150
335 HA TRP 53 HA TRP 53 4.717 20.617 6.125
336 HB2 TRP 53 HB2 TRP 53 4.071 21.205 8.514
337 HB3 TRP 53 HB1 TRP 53 4.515 22.865 8.131
338 HD1 TRP 53 HD1 TRP 53 1.973 20.162 7.055
339 HE1 TRP 53 HE1 TRP 53 -0.105 21.350 6.107
340 HE3 TRP 53 HE3 TRP 53 3.664 24.986 7.185
341 HZ2 TRP 53 HZ2 TRP 53 -0.919 23.982 5.494
342 HZ3 TRP 53 HZ3 TRP 53 2.174 26.779 6.400
343 HH2 TRP 53 HH2 TRP 53 -0.070 26.286 5.572
344 H VAL 54 HN VAL 54 5.771 21.224 4.239
345 HA VAL 54 HA VAL 54 6.641 22.591 2.627
346 HB VAL 54 HB VAL 54 4.213 23.133 2.603
347 HG11 VAL 54 HG11 VAL 54 5.089 25.405 4.373
348 HG12 VAL 54 HG12 VAL 54 3.877 24.170 4.712
349 HG13 VAL 54 HG13 VAL 54 3.567 25.395 3.483
350 HG21 VAL 54 HG21 VAL 54 4.484 24.651 0.943
351 HG22 VAL 54 HG22 VAL 54 6.182 24.235 1.174
352 HG23 VAL 54 HG23 VAL 54 5.523 25.694 1.914
Start of MODEL 5
1 H1 SER 5 HT1 SER 5 -11.174 -11.348 -2.907
2 H2 SER 5 HT2 SER 5 -12.531 -12.241 -2.354
3 H3 SER 5 HT3 SER 5 -10.955 -12.635 -1.797
4 HA SER 5 HA SER 5 -12.621 -10.311 -1.167
5 HB2 SER 5 HB2 SER 5 -11.045 -12.195 0.598
6 HB3 SER 5 HB1 SER 5 -12.306 -11.065 1.090
7 HG SER 5 HG SER 5 -13.825 -12.346 0.147
8 H GLN 6 HN GLN 6 -11.581 -8.731 0.275
9 HA GLN 6 HA GLN 6 -9.958 -7.233 0.822
10 HB2 GLN 6 HB2 GLN 6 -8.720 -9.472 1.331
11 HB3 GLN 6 HB1 GLN 6 -7.819 -9.103 -0.132
12 HG2 GLN 6 HG2 GLN 6 -7.535 -6.766 1.071
13 HG3 GLN 6 HG1 GLN 6 -7.798 -7.755 2.507
14 HE21 GLN 6 HE21 GLN 6 -5.632 -6.885 0.003
15 HE22 GLN 6 HE22 GLN 6 -4.297 -7.857 0.511
16 H GLY 7 HN GLY 7 -10.854 -7.947 -2.129
17 HA2 GLY 7 HA2 GLY 7 -10.704 -6.612 -4.026
18 HA3 GLY 7 HA1 GLY 7 -9.353 -5.764 -3.292
19 H GLU 8 HN GLU 8 -8.392 -8.787 -2.872
20 HA GLU 8 HA GLU 8 -6.743 -10.019 -3.830
21 HB2 GLU 8 HB2 GLU 8 -9.066 -10.082 -5.422
22 HB3 GLU 8 HB1 GLU 8 -7.706 -10.018 -6.535
23 HG2 GLU 8 HG2 GLU 8 -7.472 -11.919 -4.296
24 HG3 GLU 8 HG1 GLU 8 -8.695 -12.288 -5.511
25 H CYS 9 HN CYS 9 -6.173 -7.265 -3.722
26 HA CYS 9 HA CYS 9 -4.648 -6.840 -6.207
27 HB2 CYS 9 HB2 CYS 9 -5.533 -4.802 -4.153
28 HB3 CYS 9 HB1 CYS 9 -4.627 -4.450 -5.620
29 HA PRO 10 HA PRO 10 -1.073 -7.888 -3.671
30 HB2 PRO 10 HB2 PRO 10 0.335 -6.601 -5.954
31 HB3 PRO 10 HB1 PRO 10 0.600 -8.186 -5.216
32 HG2 PRO 10 HG2 PRO 10 -0.605 -7.968 -7.583
33 HG3 PRO 10 HG1 PRO 10 -1.139 -9.171 -6.393
34 HD2 PRO 10 HD2 PRO 10 -2.379 -6.555 -7.135
35 HD3 PRO 10 HD1 PRO 10 -3.158 -8.098 -6.725
36 H GLU 11 HN GLU 11 1.139 -6.531 -3.332
37 HA GLU 11 HA GLU 11 0.480 -4.309 -1.802
38 HB2 GLU 11 HB2 GLU 11 2.875 -3.850 -1.704
39 HB3 GLU 11 HB1 GLU 11 2.573 -5.573 -1.532
40 HG2 GLU 11 HG2 GLU 11 3.051 -4.670 -4.281
41 HG3 GLU 11 HG1 GLU 11 4.418 -4.485 -3.183
42 H GLY 12 HN GLY 12 1.778 -2.140 -2.245
43 HA2 GLY 12 HA2 GLY 12 1.610 -0.136 -3.380
44 HA3 GLY 12 HA1 GLY 12 2.116 -1.083 -4.775
45 H ARG 13 HN ARG 13 -0.836 -1.298 -2.861
46 HA ARG 13 HA ARG 13 -2.427 -0.650 -5.268
47 HB2 ARG 13 HB2 ARG 13 -4.018 -2.310 -4.563
48 HB3 ARG 13 HB1 ARG 13 -2.417 -3.047 -4.617
49 HG2 ARG 13 HG2 ARG 13 -2.390 -3.438 -2.424
50 HG3 ARG 13 HG1 ARG 13 -3.066 -1.854 -2.044
51 HD2 ARG 13 HD2 ARG 13 -5.254 -2.967 -3.052
52 HD3 ARG 13 HD1 ARG 13 -4.442 -4.446 -2.539
53 HE ARG 13 HE ARG 13 -4.366 -2.627 -0.419
54 HH11 ARG 13 HH11 ARG 13 -6.704 -4.497 -2.212
55 HH12 ARG 13 HH12 ARG 13 -7.802 -4.633 -0.880
56 HH21 ARG 13 HH21 ARG 13 -5.807 -2.807 1.334
57 HH22 ARG 13 HH22 ARG 13 -7.293 -3.675 1.135
58 H ALA 14 HN ALA 14 -4.824 -0.379 -4.513
59 HA ALA 14 HA ALA 14 -5.493 0.597 -2.010
60 HB1 ALA 14 HB1 ALA 14 -5.829 3.078 -2.986
61 HB2 ALA 14 HB2 ALA 14 -4.324 2.630 -3.793
62 HB3 ALA 14 HB3 ALA 14 -4.431 2.582 -2.033
63 H TYR 15 HN TYR 15 -7.680 1.157 -1.859
64 HA TYR 15 HA TYR 15 -9.217 0.743 -4.336
65 HB2 TYR 15 HB2 TYR 15 -9.481 -1.135 -2.799
66 HB3 TYR 15 HB1 TYR 15 -9.930 -0.037 -1.500
67 HD1 TYR 15 HD1 TYR 15 -12.090 1.249 -1.689
68 HD2 TYR 15 HD2 TYR 15 -11.092 -1.936 -4.327
69 HE1 TYR 15 HE1 TYR 15 -14.457 1.042 -2.326
70 HE2 TYR 15 HE2 TYR 15 -13.455 -2.150 -4.973
71 HH TYR 15 HH TYR 15 -15.485 -0.911 -4.977
72 H SER 16 HN SER 16 -10.721 2.228 -4.872
73 HA SER 16 HA SER 16 -11.103 4.459 -2.989
74 HB2 SER 16 HB2 SER 16 -10.522 5.802 -4.683
75 HB3 SER 16 HB1 SER 16 -10.360 4.409 -5.751
76 HG SER 16 HG SER 16 -12.272 6.303 -5.708
77 H GLN 17 HN GLN 17 -13.001 4.424 -2.005
78 HA GLN 17 HA GLN 17 -15.187 2.856 -2.805
79 HB2 GLN 17 HB2 GLN 17 -14.765 5.010 -0.784
80 HB3 GLN 17 HB1 GLN 17 -16.414 4.527 -1.160
81 HG2 GLN 17 HG2 GLN 17 -16.211 2.532 -0.135
82 HG3 GLN 17 HG1 GLN 17 -14.524 2.337 -0.609
83 HE21 GLN 17 HE21 GLN 17 -13.067 4.067 0.472
84 HE22 GLN 17 HE22 GLN 17 -13.295 4.250 2.175
85 H ASP 18 HN ASP 18 -14.212 6.052 -3.664
86 HA ASP 18 HA ASP 18 -16.679 7.098 -4.510
87 HB2 ASP 18 HB2 ASP 18 -13.831 7.673 -5.316
88 HB3 ASP 18 HB1 ASP 18 -15.191 8.527 -6.041
89 H LEU 19 HN LEU 19 -14.074 5.620 -6.437
90 HA LEU 19 HA LEU 19 -15.702 5.410 -8.765
91 HB2 LEU 19 HB2 LEU 19 -12.949 4.629 -7.993
92 HB3 LEU 19 HB1 LEU 19 -13.677 3.747 -9.323
93 HG LEU 19 HG LEU 19 -13.981 5.796 -10.581
94 HD11 LEU 19 HD11 LEU 19 -12.676 7.827 -9.442
95 HD12 LEU 19 HD12 LEU 19 -13.286 7.036 -7.989
96 HD13 LEU 19 HD13 LEU 19 -14.409 7.568 -9.241
97 HD21 LEU 19 HD21 LEU 19 -11.653 4.543 -10.241
98 HD22 LEU 19 HD22 LEU 19 -11.196 6.137 -9.639
99 HD23 LEU 19 HD23 LEU 19 -11.828 5.960 -11.275
100 H GLY 20 HN GLY 20 -15.112 3.448 -6.007
101 HA2 GLY 20 HA2 GLY 20 -16.134 1.508 -5.312
102 HA3 GLY 20 HA1 GLY 20 -17.170 1.612 -6.728
103 H LYS 21 HN LYS 21 -13.636 1.254 -6.378
104 HA LYS 21 HA LYS 21 -13.627 -1.474 -7.164
105 HB2 LYS 21 HB2 LYS 21 -12.402 -1.014 -9.375
106 HB3 LYS 21 HB1 LYS 21 -14.152 -0.845 -9.356
107 HG2 LYS 21 HG2 LYS 21 -13.660 1.653 -8.885
108 HG3 LYS 21 HG1 LYS 21 -12.051 1.272 -9.503
109 HD2 LYS 21 HD2 LYS 21 -13.056 0.422 -11.572
110 HD3 LYS 21 HD1 LYS 21 -14.659 0.824 -10.954
111 HE2 LYS 21 HE2 LYS 21 -14.364 3.065 -11.256
112 HE3 LYS 21 HE1 LYS 21 -12.621 2.980 -11.001
113 HZ1 LYS 21 HZ1 LYS 21 -12.234 2.549 -13.170
114 HZ2 LYS 21 HZ2 LYS 21 -13.707 3.355 -13.378
115 HZ3 LYS 21 HZ3 LYS 21 -13.661 1.664 -13.382
116 H CYS 22 HN CYS 22 -11.400 -2.283 -7.562
117 HA CYS 22 HA CYS 22 -9.549 -0.838 -5.835
118 HB2 CYS 22 HB2 CYS 22 -9.958 -3.244 -5.425
119 HB3 CYS 22 HB1 CYS 22 -9.318 -3.613 -7.022
120 H MET 23 HN MET 23 -7.381 -0.451 -6.407
121 HA MET 23 HA MET 23 -6.602 -0.687 -9.193
122 HB2 MET 23 HB2 MET 23 -5.856 1.910 -8.779
123 HB3 MET 23 HB1 MET 23 -7.284 1.411 -9.666
124 HG2 MET 23 HG2 MET 23 -7.558 1.698 -6.749
125 HG3 MET 23 HG1 MET 23 -7.317 3.173 -7.681
126 HE1 MET 23 HE1 MET 23 -10.272 4.272 -8.809
127 HE2 MET 23 HE2 MET 23 -9.725 3.350 -10.208
128 HE3 MET 23 HE3 MET 23 -8.549 4.139 -9.157
129 H GLU 24 HN GLU 24 -4.347 1.026 -9.021
130 HA GLU 24 HA GLU 24 -2.789 -0.440 -7.000
131 HB2 GLU 24 HB2 GLU 24 -0.963 -0.529 -8.422
132 HB3 GLU 24 HB1 GLU 24 -2.318 -0.788 -9.515
133 HG2 GLU 24 HG2 GLU 24 -2.095 1.871 -9.655
134 HG3 GLU 24 HG1 GLU 24 -0.427 1.443 -9.288
135 H CYS 25 HN CYS 25 -1.340 0.585 -5.731
136 HA CYS 25 HA CYS 25 -1.689 3.383 -5.283
137 HB2 CYS 25 HB2 CYS 25 -1.156 1.536 -3.549
138 HB3 CYS 25 HB1 CYS 25 0.505 1.686 -4.105
139 H SER 26 HN SER 26 0.573 1.327 -6.938
140 HA SER 26 HA SER 26 2.754 3.027 -7.202
141 HB2 SER 26 HB2 SER 26 2.658 1.795 -9.655
142 HB3 SER 26 HB1 SER 26 3.345 1.076 -8.199
143 HG SER 26 HG SER 26 1.524 -0.008 -9.543
144 H VAL 27 HN VAL 27 -0.432 3.193 -8.545
145 HA VAL 27 HA VAL 27 0.167 4.898 -10.737
146 HB VAL 27 HB VAL 27 -2.335 4.126 -9.313
147 HG11 VAL 27 HG11 VAL 27 -3.627 5.657 -10.819
148 HG12 VAL 27 HG12 VAL 27 -2.110 6.481 -11.178
149 HG13 VAL 27 HG13 VAL 27 -2.738 6.467 -9.530
150 HG21 VAL 27 HG21 VAL 27 -2.201 4.233 -12.243
151 HG22 VAL 27 HG22 VAL 27 -2.756 2.943 -11.177
152 HG23 VAL 27 HG23 VAL 27 -1.032 3.155 -11.483
153 H CYS 28 HN CYS 28 -0.259 5.436 -7.351
154 HA CYS 28 HA CYS 28 -0.855 8.199 -7.439
155 HB2 CYS 28 HB2 CYS 28 -0.208 6.222 -5.396
156 HB3 CYS 28 HB1 CYS 28 0.482 7.799 -5.039
157 H LYS 29 HN LYS 29 0.923 9.538 -5.916
158 HA LYS 29 HA LYS 29 3.500 9.308 -7.312
159 HB2 LYS 29 HB2 LYS 29 1.609 11.340 -7.739
160 HB3 LYS 29 HB1 LYS 29 2.857 12.068 -6.737
161 HG2 LYS 29 HG2 LYS 29 3.532 10.519 -9.213
162 HG3 LYS 29 HG1 LYS 29 3.112 12.232 -9.267
163 HD2 LYS 29 HD2 LYS 29 4.926 12.410 -7.378
164 HD3 LYS 29 HD1 LYS 29 5.497 10.892 -8.076
165 HE2 LYS 29 HE2 LYS 29 6.698 12.337 -9.357
166 HE3 LYS 29 HE1 LYS 29 5.227 12.273 -10.327
167 HZ1 LYS 29 HZ1 LYS 29 4.532 14.335 -9.545
168 HZ2 LYS 29 HZ2 LYS 29 6.194 14.548 -9.780
169 HZ3 LYS 29 HZ3 LYS 29 5.585 14.312 -8.220
170 H ASN 30 HN ASN 30 1.931 11.254 -4.762
171 HA ASN 30 HA ASN 30 3.485 10.239 -2.657
172 HB2 ASN 30 HB2 ASN 30 4.856 12.143 -4.277
173 HB3 ASN 30 HB1 ASN 30 4.516 12.899 -2.724
174 HD21 ASN 30 HD21 ASN 30 6.626 10.975 -4.404
175 HD22 ASN 30 HD22 ASN 30 7.487 10.286 -3.075
176 H SER 31 HN SER 31 1.853 13.101 -3.942
177 HA SER 31 HA SER 31 0.060 13.139 -1.690
178 HB2 SER 31 HB2 SER 31 2.198 14.454 -1.032
179 HB3 SER 31 HB1 SER 31 1.600 15.682 -2.147
180 HG SER 31 HG SER 31 0.950 15.840 0.152
181 H GLU 32 HN GLU 32 -1.842 13.374 -2.645
182 HA GLU 32 HA GLU 32 -2.405 15.629 -4.317
183 HB2 GLU 32 HB2 GLU 32 -3.203 14.240 -6.258
184 HB3 GLU 32 HB1 GLU 32 -1.457 14.307 -6.061
185 HG2 GLU 32 HG2 GLU 32 -2.897 12.061 -4.772
186 HG3 GLU 32 HG1 GLU 32 -2.752 12.045 -6.528
187 H LYS 33 HN LYS 33 -4.749 15.157 -5.366
188 HA LYS 33 HA LYS 33 -6.443 14.678 -3.083
189 HB2 LYS 33 HB2 LYS 33 -6.873 15.676 -5.874
190 HB3 LYS 33 HB1 LYS 33 -8.252 15.154 -4.917
191 HG2 LYS 33 HG2 LYS 33 -7.194 16.761 -3.123
192 HG3 LYS 33 HG1 LYS 33 -6.465 17.498 -4.550
193 HD2 LYS 33 HD2 LYS 33 -8.643 17.848 -5.533
194 HD3 LYS 33 HD1 LYS 33 -9.417 16.985 -4.204
195 HE2 LYS 33 HE2 LYS 33 -8.894 18.691 -2.660
196 HE3 LYS 33 HE1 LYS 33 -7.750 19.447 -3.768
197 HZ1 LYS 33 HZ1 LYS 33 -9.541 20.134 -5.170
198 HZ2 LYS 33 HZ2 LYS 33 -9.895 20.628 -3.592
199 HZ3 LYS 33 HZ3 LYS 33 -10.674 19.278 -4.249
200 H SER 34 HN SER 34 -5.639 12.365 -3.039
201 HA SER 34 HA SER 34 -7.349 10.683 -4.756
202 HB2 SER 34 HB2 SER 34 -4.621 10.100 -3.600
203 HB3 SER 34 HB1 SER 34 -5.653 8.874 -4.336
204 HG SER 34 HG SER 34 -3.973 10.142 -5.650
205 H ASP 35 HN ASP 35 -9.013 9.927 -3.660
206 HA ASP 35 HA ASP 35 -8.981 9.718 -0.787
207 HB2 ASP 35 HB2 ASP 35 -11.005 10.445 -2.006
208 HB3 ASP 35 HB1 ASP 35 -11.103 8.861 -2.769
209 H PHE 36 HN PHE 36 -7.943 7.750 -3.267
210 HA PHE 36 HA PHE 36 -8.443 5.281 -1.776
211 HB2 PHE 36 HB2 PHE 36 -8.772 4.312 -3.780
212 HB3 PHE 36 HB1 PHE 36 -8.655 5.910 -4.500
213 HD1 PHE 36 HD2 PHE 36 -5.961 6.651 -4.575
214 HD2 PHE 36 HD1 PHE 36 -7.623 2.753 -4.918
215 HE1 PHE 36 HE2 PHE 36 -3.954 5.903 -5.794
216 HE2 PHE 36 HE1 PHE 36 -5.624 1.997 -6.133
217 HZ PHE 36 HZ PHE 36 -3.792 3.568 -6.562
218 H CYS 37 HN CYS 37 -5.963 7.475 -2.654
219 HA CYS 37 HA CYS 37 -3.781 5.700 -2.303
220 HB2 CYS 37 HB2 CYS 37 -4.011 8.283 -3.139
221 HB3 CYS 37 HB1 CYS 37 -3.375 8.517 -1.516
222 H GLN 38 HN GLN 38 -6.137 6.401 -0.208
223 HA GLN 38 HA GLN 38 -4.473 6.685 2.167
224 HB2 GLN 38 HB2 GLN 38 -7.349 6.145 2.504
225 HB3 GLN 38 HB1 GLN 38 -6.349 7.391 3.237
226 HG2 GLN 38 HG2 GLN 38 -6.483 8.702 1.180
227 HG3 GLN 38 HG1 GLN 38 -7.487 7.447 0.455
228 HE21 GLN 38 HE21 GLN 38 -7.341 10.021 2.782
229 HE22 GLN 38 HE22 GLN 38 -9.043 10.140 3.063
230 H ASN 39 HN ASN 39 -5.784 4.286 0.185
231 HA ASN 39 HA ASN 39 -6.158 2.279 2.203
232 HB2 ASN 39 HB2 ASN 39 -6.649 2.533 -0.613
233 HB3 ASN 39 HB1 ASN 39 -5.793 1.025 -0.292
234 HD21 ASN 39 HD21 ASN 39 -8.083 2.733 1.770
235 HD22 ASN 39 HD22 ASN 39 -9.264 1.473 1.807
236 H CYS 40 HN CYS 40 -3.623 3.178 -0.009
237 HA CYS 40 HA CYS 40 -1.845 1.204 -0.111
238 HB2 CYS 40 HB2 CYS 40 -1.681 3.885 -0.507
239 HB3 CYS 40 HB1 CYS 40 -0.596 3.694 0.864
240 HA PRO 41 HA PRO 41 -0.073 1.843 4.326
241 HB2 PRO 41 HB2 PRO 41 -1.432 3.421 6.054
242 HB3 PRO 41 HB1 PRO 41 -0.199 4.053 4.958
243 HG2 PRO 41 HG2 PRO 41 -3.180 4.083 4.675
244 HG3 PRO 41 HG1 PRO 41 -2.013 5.379 4.350
245 HD2 PRO 41 HD2 PRO 41 -3.079 3.848 2.388
246 HD3 PRO 41 HD1 PRO 41 -1.440 4.519 2.294
247 H SER 42 HN SER 42 -0.468 0.559 6.135
248 HA SER 42 HA SER 42 -3.174 -0.601 6.270
249 HB2 SER 42 HB2 SER 42 -0.455 -1.812 6.433
250 HB3 SER 42 HB1 SER 42 -1.728 -2.524 7.424
251 HG SER 42 HG SER 42 -2.042 -2.026 4.655
252 H LYS 43 HN LYS 43 -3.887 0.945 7.792
253 HA LYS 43 HA LYS 43 -2.553 1.482 10.223
254 HB2 LYS 43 HB2 LYS 43 -4.673 2.581 8.932
255 HB3 LYS 43 HB1 LYS 43 -5.495 1.707 10.217
256 HG2 LYS 43 HG2 LYS 43 -5.165 3.658 11.304
257 HG3 LYS 43 HG1 LYS 43 -3.617 2.898 11.680
258 HD2 LYS 43 HD2 LYS 43 -3.837 4.471 9.166
259 HD3 LYS 43 HD1 LYS 43 -3.761 5.350 10.694
260 HE2 LYS 43 HE2 LYS 43 -1.764 3.325 9.688
261 HE3 LYS 43 HE1 LYS 43 -1.536 5.072 9.757
262 HZ1 LYS 43 HZ1 LYS 43 -2.206 4.460 12.299
263 HZ2 LYS 43 HZ2 LYS 43 -0.624 4.654 11.736
264 HZ3 LYS 43 HZ3 LYS 43 -1.297 3.107 11.846
265 H THR 44 HN THR 44 -4.483 -1.154 9.183
266 HA THR 44 HA THR 44 -5.305 -3.011 10.209
267 HB THR 44 HB THR 44 -3.899 -4.041 11.843
268 HG1 THR 44 HG1 THR 44 -2.303 -2.821 12.942
269 HG21 THR 44 HG21 THR 44 -1.529 -3.319 11.001
270 HG22 THR 44 HG22 THR 44 -2.466 -2.456 9.782
271 HG23 THR 44 HG23 THR 44 -2.637 -4.203 9.952
272 H GLU 45 HN GLU 45 -7.214 -1.600 10.672
273 HA GLU 45 HA GLU 45 -7.789 -1.711 13.533
274 HB2 GLU 45 HB2 GLU 45 -7.072 0.673 12.515
275 HB3 GLU 45 HB1 GLU 45 -8.790 0.707 12.139
276 HG2 GLU 45 HG2 GLU 45 -8.444 -0.179 14.826
277 HG3 GLU 45 HG1 GLU 45 -7.522 1.303 14.580
278 H GLN 46 HN GLN 46 -9.981 -1.956 14.035
279 HA GLN 46 HA GLN 46 -11.522 -3.429 12.246
280 HB2 GLN 46 HB2 GLN 46 -11.869 -2.280 14.911
281 HB3 GLN 46 HB1 GLN 46 -13.373 -2.371 14.005
282 HG2 GLN 46 HG2 GLN 46 -13.459 -4.609 14.114
283 HG3 GLN 46 HG1 GLN 46 -11.717 -4.793 13.913
284 HE21 GLN 46 HE21 GLN 46 -10.804 -5.724 15.584
285 HE22 GLN 46 HE22 GLN 46 -11.258 -5.533 17.239
286 HA PRO 47 HA PRO 47 -12.760 0.027 9.592
287 HB2 PRO 47 HB2 PRO 47 -14.339 -2.151 8.341
288 HB3 PRO 47 HB1 PRO 47 -13.216 -1.008 7.599
289 HG2 PRO 47 HG2 PRO 47 -12.535 -3.561 7.949
290 HG3 PRO 47 HG1 PRO 47 -11.353 -2.259 8.177
291 HD2 PRO 47 HD2 PRO 47 -12.841 -3.851 10.227
292 HD3 PRO 47 HD1 PRO 47 -11.157 -3.289 10.240
293 H ASP 48 HN ASP 48 -14.215 1.355 10.479
294 HA ASP 48 HA ASP 48 -17.000 0.633 10.478
295 HB2 ASP 48 HB2 ASP 48 -15.919 -0.169 12.716
296 HB3 ASP 48 HB1 ASP 48 -15.948 1.540 13.138
297 H PHE 49 HN PHE 49 -15.632 2.537 9.029
298 HA PHE 49 HA PHE 49 -15.723 4.721 8.405
299 HB2 PHE 49 HB2 PHE 49 -18.033 4.675 10.350
300 HB3 PHE 49 HB1 PHE 49 -17.630 6.080 9.368
301 HD1 PHE 49 HD1 PHE 49 -17.603 5.784 6.837
302 HD2 PHE 49 HD2 PHE 49 -19.375 2.980 9.502
303 HE1 PHE 49 HE1 PHE 49 -18.938 4.873 4.982
304 HE2 PHE 49 HE2 PHE 49 -20.714 2.062 7.653
305 HZ PHE 49 HZ PHE 49 -20.497 3.009 5.388
306 HA PRO 50 HA PRO 50 -13.148 5.995 12.009
307 HB2 PRO 50 HB2 PRO 50 -11.137 7.020 10.493
308 HB3 PRO 50 HB1 PRO 50 -11.246 5.309 10.922
309 HG2 PRO 50 HG2 PRO 50 -12.043 6.679 8.383
310 HG3 PRO 50 HG1 PRO 50 -11.185 5.143 8.603
311 HD2 PRO 50 HD2 PRO 50 -13.825 5.257 8.036
312 HD3 PRO 50 HD1 PRO 50 -13.127 3.978 9.050
313 H TRP 51 HN TRP 51 -13.657 7.849 12.968
314 HA TRP 51 HA TRP 51 -13.645 10.326 11.416
315 HB2 TRP 51 HB2 TRP 51 -16.023 9.045 12.507
316 HB3 TRP 51 HB1 TRP 51 -15.809 10.678 13.130
317 HD1 TRP 51 HD1 TRP 51 -16.337 8.794 9.820
318 HE1 TRP 51 HE1 TRP 51 -17.241 10.457 8.077
319 HE3 TRP 51 HE3 TRP 51 -15.926 13.112 12.526
320 HZ2 TRP 51 HZ2 TRP 51 -17.718 13.232 7.875
321 HZ3 TRP 51 HZ3 TRP 51 -16.627 15.228 11.485
322 HH2 TRP 51 HH2 TRP 51 -17.504 15.285 9.207
323 H ILE 52 HN ILE 52 -12.977 12.103 12.547
324 HA ILE 52 HA ILE 52 -11.700 11.608 15.083
325 HB ILE 52 HB ILE 52 -11.928 14.256 13.660
326 HG12 ILE 52 HG12 ILE 52 -11.028 12.537 12.131
327 HG13 ILE 52 HG11 ILE 52 -9.812 13.733 12.562
328 HG21 ILE 52 HG21 ILE 52 -10.391 15.050 15.105
329 HG22 ILE 52 HG22 ILE 52 -9.531 13.513 15.202
330 HG23 ILE 52 HG23 ILE 52 -11.005 13.760 16.138
331 HD11 ILE 52 HD11 ILE 52 -8.562 12.240 13.733
332 HD12 ILE 52 HD12 ILE 52 -9.293 11.151 12.553
333 HD13 ILE 52 HD13 ILE 52 -9.956 11.256 14.184
334 H TRP 53 HN TRP 53 -13.745 11.140 16.215
335 HA TRP 53 HA TRP 53 -15.481 13.401 16.760
336 HB2 TRP 53 HB2 TRP 53 -16.668 11.732 18.243
337 HB3 TRP 53 HB1 TRP 53 -16.606 11.310 16.534
338 HD1 TRP 53 HD1 TRP 53 -14.132 10.625 19.461
339 HE1 TRP 53 HE1 TRP 53 -13.549 8.118 19.423
340 HE3 TRP 53 HE3 TRP 53 -17.048 9.174 15.521
341 HZ2 TRP 53 HZ2 TRP 53 -14.236 5.828 17.921
342 HZ3 TRP 53 HZ3 TRP 53 -17.027 6.806 14.846
343 HH2 TRP 53 HH2 TRP 53 -15.649 5.170 16.023
344 H VAL 54 HN VAL 54 -15.993 14.018 18.995
345 HA VAL 54 HA VAL 54 -13.983 13.453 21.011
346 HB VAL 54 HB VAL 54 -14.457 16.312 20.168
347 HG11 VAL 54 HG11 VAL 54 -13.007 14.985 22.366
348 HG12 VAL 54 HG12 VAL 54 -13.756 16.579 22.299
349 HG13 VAL 54 HG13 VAL 54 -12.167 16.321 21.579
350 HG21 VAL 54 HG21 VAL 54 -13.242 15.252 18.395
351 HG22 VAL 54 HG22 VAL 54 -12.151 14.474 19.542
352 HG23 VAL 54 HG23 VAL 54 -12.109 16.225 19.334
Start of MODEL 6
1 H1 SER 5 HT1 SER 5 -16.709 -1.670 3.664
2 H2 SER 5 HT2 SER 5 -16.329 -0.576 4.930
3 H3 SER 5 HT3 SER 5 -16.311 -2.267 5.220
4 HA SER 5 HA SER 5 -14.571 -0.967 3.248
5 HB2 SER 5 HB2 SER 5 -13.607 -1.758 5.967
6 HB3 SER 5 HB1 SER 5 -12.981 -0.527 4.870
7 HG SER 5 HG SER 5 -14.205 0.879 5.824
8 H GLN 6 HN GLN 6 -14.088 -2.580 1.901
9 HA GLN 6 HA GLN 6 -13.945 -5.321 2.888
10 HB2 GLN 6 HB2 GLN 6 -13.631 -5.849 0.429
11 HB3 GLN 6 HB1 GLN 6 -15.174 -5.129 0.869
12 HG2 GLN 6 HG2 GLN 6 -14.827 -3.334 -0.400
13 HG3 GLN 6 HG1 GLN 6 -13.158 -3.159 0.142
14 HE21 GLN 6 HE21 GLN 6 -14.747 -5.854 -1.503
15 HE22 GLN 6 HE22 GLN 6 -13.726 -5.835 -2.898
16 H GLY 7 HN GLY 7 -12.120 -6.669 2.539
17 HA2 GLY 7 HA2 GLY 7 -9.595 -5.168 2.192
18 HA3 GLY 7 HA1 GLY 7 -9.786 -6.453 3.375
19 H GLU 8 HN GLU 8 -10.389 -6.017 -0.116
20 HA GLU 8 HA GLU 8 -9.069 -8.616 -0.550
21 HB2 GLU 8 HB2 GLU 8 -11.114 -7.337 -2.365
22 HB3 GLU 8 HB1 GLU 8 -10.483 -8.976 -2.453
23 HG2 GLU 8 HG2 GLU 8 -11.502 -9.033 0.019
24 HG3 GLU 8 HG1 GLU 8 -12.568 -7.833 -0.709
25 H CYS 9 HN CYS 9 -7.608 -6.226 -0.354
26 HA CYS 9 HA CYS 9 -6.345 -6.221 -2.963
27 HB2 CYS 9 HB2 CYS 9 -7.741 -3.847 -1.803
28 HB3 CYS 9 HB1 CYS 9 -6.266 -3.595 -2.729
29 HA PRO 10 HA PRO 10 -3.182 -6.305 0.323
30 HB2 PRO 10 HB2 PRO 10 -1.176 -7.113 -1.364
31 HB3 PRO 10 HB1 PRO 10 -2.300 -8.217 -0.564
32 HG2 PRO 10 HG2 PRO 10 -2.361 -7.142 -3.354
33 HG3 PRO 10 HG1 PRO 10 -2.701 -8.784 -2.778
34 HD2 PRO 10 HD2 PRO 10 -4.669 -7.066 -3.410
35 HD3 PRO 10 HD1 PRO 10 -4.838 -8.233 -2.082
36 H GLU 11 HN GLU 11 -0.607 -5.640 -0.199
37 HA GLU 11 HA GLU 11 -0.723 -2.827 -0.421
38 HB2 GLU 11 HB2 GLU 11 1.724 -2.916 -0.209
39 HB3 GLU 11 HB1 GLU 11 0.931 -3.926 0.990
40 HG2 GLU 11 HG2 GLU 11 1.352 -5.885 -0.504
41 HG3 GLU 11 HG1 GLU 11 2.324 -4.820 -1.518
42 H GLY 12 HN GLY 12 1.164 -1.806 -1.857
43 HA2 GLY 12 HA2 GLY 12 1.931 -1.280 -3.964
44 HA3 GLY 12 HA1 GLY 12 1.538 -2.920 -4.453
45 H ARG 13 HN ARG 13 -1.172 -1.499 -3.107
46 HA ARG 13 HA ARG 13 -2.113 -0.121 -5.448
47 HB2 ARG 13 HB2 ARG 13 -3.716 -1.662 -6.115
48 HB3 ARG 13 HB1 ARG 13 -2.314 -2.660 -5.735
49 HG2 ARG 13 HG2 ARG 13 -3.206 -3.143 -3.566
50 HG3 ARG 13 HG1 ARG 13 -4.603 -2.123 -3.886
51 HD2 ARG 13 HD2 ARG 13 -3.854 -4.710 -5.241
52 HD3 ARG 13 HD1 ARG 13 -5.281 -4.385 -4.257
53 HE ARG 13 HE ARG 13 -5.555 -2.623 -6.269
54 HH11 ARG 13 HH11 ARG 13 -4.908 -6.054 -6.233
55 HH12 ARG 13 HH12 ARG 13 -5.679 -6.341 -7.756
56 HH21 ARG 13 HH21 ARG 13 -6.571 -3.000 -8.271
57 HH22 ARG 13 HH22 ARG 13 -6.623 -4.608 -8.914
58 H ALA 14 HN ALA 14 -4.756 -0.085 -5.053
59 HA ALA 14 HA ALA 14 -5.457 0.255 -2.311
60 HB1 ALA 14 HB1 ALA 14 -4.528 2.316 -2.176
61 HB2 ALA 14 HB2 ALA 14 -6.076 2.777 -2.884
62 HB3 ALA 14 HB3 ALA 14 -4.653 2.607 -3.911
63 H TYR 15 HN TYR 15 -7.691 1.036 -2.028
64 HA TYR 15 HA TYR 15 -9.346 0.534 -4.414
65 HB2 TYR 15 HB2 TYR 15 -9.544 -1.356 -2.893
66 HB3 TYR 15 HB1 TYR 15 -9.895 -0.275 -1.550
67 HD1 TYR 15 HD2 TYR 15 -12.063 0.950 -1.485
68 HD2 TYR 15 HD1 TYR 15 -11.252 -2.029 -4.415
69 HE1 TYR 15 HE2 TYR 15 -14.466 0.780 -1.971
70 HE2 TYR 15 HE1 TYR 15 -13.654 -2.205 -4.909
71 HH TYR 15 HH TYR 15 -16.047 -0.788 -2.923
72 H SER 16 HN SER 16 -10.493 2.262 -4.999
73 HA SER 16 HA SER 16 -10.934 4.381 -3.033
74 HB2 SER 16 HB2 SER 16 -10.424 5.720 -4.759
75 HB3 SER 16 HB1 SER 16 -10.374 4.335 -5.850
76 HG SER 16 HG SER 16 -12.179 6.278 -5.739
77 H GLN 17 HN GLN 17 -12.684 4.021 -1.860
78 HA GLN 17 HA GLN 17 -14.954 2.602 -2.635
79 HB2 GLN 17 HB2 GLN 17 -16.032 3.632 -0.669
80 HB3 GLN 17 HB1 GLN 17 -14.428 3.012 -0.307
81 HG2 GLN 17 HG2 GLN 17 -13.855 4.981 0.496
82 HG3 GLN 17 HG1 GLN 17 -14.111 5.698 -1.094
83 HE21 GLN 17 HE21 GLN 17 -14.693 7.600 0.158
84 HE22 GLN 17 HE22 GLN 17 -16.307 7.755 0.752
85 H ASP 18 HN ASP 18 -14.017 5.864 -3.250
86 HA ASP 18 HA ASP 18 -16.554 6.977 -3.773
87 HB2 ASP 18 HB2 ASP 18 -13.882 7.732 -4.976
88 HB3 ASP 18 HB1 ASP 18 -15.333 8.730 -4.976
89 H LEU 19 HN LEU 19 -14.078 5.767 -6.035
90 HA LEU 19 HA LEU 19 -15.863 5.824 -8.255
91 HB2 LEU 19 HB2 LEU 19 -13.053 5.033 -7.779
92 HB3 LEU 19 HB1 LEU 19 -13.856 4.261 -9.133
93 HG LEU 19 HG LEU 19 -12.618 6.218 -9.872
94 HD11 LEU 19 HD11 LEU 19 -15.486 7.041 -10.012
95 HD12 LEU 19 HD12 LEU 19 -14.952 5.547 -10.781
96 HD13 LEU 19 HD13 LEU 19 -14.242 7.088 -11.262
97 HD21 LEU 19 HD21 LEU 19 -12.642 7.506 -7.819
98 HD22 LEU 19 HD22 LEU 19 -14.384 7.746 -7.964
99 HD23 LEU 19 HD23 LEU 19 -13.292 8.467 -9.147
100 H GLY 20 HN GLY 20 -14.969 3.506 -5.859
101 HA2 GLY 20 HA2 GLY 20 -16.037 1.521 -5.316
102 HA3 GLY 20 HA1 GLY 20 -17.055 1.720 -6.735
103 H LYS 21 HN LYS 21 -13.514 1.519 -6.435
104 HA LYS 21 HA LYS 21 -13.396 -1.141 -7.472
105 HB2 LYS 21 HB2 LYS 21 -12.237 -0.541 -9.597
106 HB3 LYS 21 HB1 LYS 21 -13.936 -0.091 -9.566
107 HG2 LYS 21 HG2 LYS 21 -13.449 2.036 -9.945
108 HG3 LYS 21 HG1 LYS 21 -12.312 2.074 -8.597
109 HD2 LYS 21 HD2 LYS 21 -10.505 1.627 -9.929
110 HD3 LYS 21 HD1 LYS 21 -11.460 0.722 -11.105
111 HE2 LYS 21 HE2 LYS 21 -12.409 3.381 -11.140
112 HE3 LYS 21 HE1 LYS 21 -10.649 3.465 -11.162
113 HZ1 LYS 21 HZ1 LYS 21 -11.858 1.513 -12.944
114 HZ2 LYS 21 HZ2 LYS 21 -10.542 2.545 -13.200
115 HZ3 LYS 21 HZ3 LYS 21 -12.121 3.136 -13.343
116 H CYS 22 HN CYS 22 -11.093 -1.780 -7.952
117 HA CYS 22 HA CYS 22 -9.324 -0.353 -6.091
118 HB2 CYS 22 HB2 CYS 22 -10.001 -2.969 -6.033
119 HB3 CYS 22 HB1 CYS 22 -8.554 -3.044 -7.032
120 H MET 23 HN MET 23 -7.374 0.375 -6.695
121 HA MET 23 HA MET 23 -6.442 -0.187 -9.411
122 HB2 MET 23 HB2 MET 23 -7.047 1.912 -9.965
123 HB3 MET 23 HB1 MET 23 -7.337 2.355 -8.292
124 HG2 MET 23 HG2 MET 23 -5.682 3.799 -8.739
125 HG3 MET 23 HG1 MET 23 -4.691 2.427 -8.260
126 HE1 MET 23 HE1 MET 23 -6.030 4.685 -10.911
127 HE2 MET 23 HE2 MET 23 -6.573 3.282 -11.831
128 HE3 MET 23 HE3 MET 23 -5.211 4.241 -12.409
129 H GLU 24 HN GLU 24 -4.059 0.388 -9.628
130 HA GLU 24 HA GLU 24 -2.662 -0.791 -7.456
131 HB2 GLU 24 HB2 GLU 24 -0.652 -0.449 -8.786
132 HB3 GLU 24 HB1 GLU 24 -1.942 -1.128 -9.776
133 HG2 GLU 24 HG2 GLU 24 -2.403 1.347 -10.375
134 HG3 GLU 24 HG1 GLU 24 -0.766 1.604 -9.779
135 H CYS 25 HN CYS 25 -0.764 0.064 -6.485
136 HA CYS 25 HA CYS 25 -1.225 2.727 -5.428
137 HB2 CYS 25 HB2 CYS 25 -0.623 0.823 -3.939
138 HB3 CYS 25 HB1 CYS 25 0.942 0.730 -4.735
139 H SER 26 HN SER 26 0.948 1.087 -7.591
140 HA SER 26 HA SER 26 3.063 2.894 -7.683
141 HB2 SER 26 HB2 SER 26 2.963 2.139 -10.262
142 HB3 SER 26 HB1 SER 26 3.550 1.070 -8.988
143 HG SER 26 HG SER 26 1.808 0.331 -10.553
144 H VAL 27 HN VAL 27 -0.209 3.166 -8.733
145 HA VAL 27 HA VAL 27 0.206 5.314 -10.574
146 HB VAL 27 HB VAL 27 -2.179 3.993 -9.373
147 HG11 VAL 27 HG11 VAL 27 -2.966 6.164 -9.053
148 HG12 VAL 27 HG12 VAL 27 -3.584 5.735 -10.649
149 HG13 VAL 27 HG13 VAL 27 -2.165 6.771 -10.503
150 HG21 VAL 27 HG21 VAL 27 -2.032 2.995 -11.353
151 HG22 VAL 27 HG22 VAL 27 -0.850 4.164 -11.935
152 HG23 VAL 27 HG23 VAL 27 -2.574 4.508 -12.073
153 H CYS 28 HN CYS 28 -0.091 5.048 -7.164
154 HA CYS 28 HA CYS 28 -1.135 7.522 -6.448
155 HB2 CYS 28 HB2 CYS 28 -0.437 5.480 -4.987
156 HB3 CYS 28 HB1 CYS 28 1.124 6.287 -4.902
157 H LYS 29 HN LYS 29 0.078 9.361 -5.463
158 HA LYS 29 HA LYS 29 1.501 11.122 -5.665
159 HB2 LYS 29 HB2 LYS 29 3.425 8.943 -6.486
160 HB3 LYS 29 HB1 LYS 29 3.893 10.606 -6.163
161 HG2 LYS 29 HG2 LYS 29 2.351 9.378 -4.008
162 HG3 LYS 29 HG1 LYS 29 3.887 8.575 -4.341
163 HD2 LYS 29 HD2 LYS 29 4.732 10.149 -2.969
164 HD3 LYS 29 HD1 LYS 29 4.643 11.179 -4.398
165 HE2 LYS 29 HE2 LYS 29 2.148 11.494 -3.475
166 HE3 LYS 29 HE1 LYS 29 2.977 11.165 -1.954
167 HZ1 LYS 29 HZ1 LYS 29 4.626 12.946 -3.048
168 HZ2 LYS 29 HZ2 LYS 29 3.349 13.366 -2.021
169 HZ3 LYS 29 HZ3 LYS 29 3.155 13.476 -3.697
170 H ASN 30 HN ASN 30 0.249 12.007 -7.370
171 HA ASN 30 HA ASN 30 1.644 11.954 -9.954
172 HB2 ASN 30 HB2 ASN 30 -0.865 10.805 -9.519
173 HB3 ASN 30 HB1 ASN 30 -1.213 12.353 -10.281
174 HD21 ASN 30 HD21 ASN 30 -1.847 10.086 -11.589
175 HD22 ASN 30 HD22 ASN 30 -0.789 9.845 -12.933
176 H SER 31 HN SER 31 -0.942 13.610 -8.142
177 HA SER 31 HA SER 31 0.315 16.122 -8.182
178 HB2 SER 31 HB2 SER 31 -1.525 15.516 -10.457
179 HB3 SER 31 HB1 SER 31 -1.564 17.133 -9.755
180 HG SER 31 HG SER 31 0.297 17.546 -10.641
181 H GLU 32 HN GLU 32 -2.869 14.556 -8.352
182 HA GLU 32 HA GLU 32 -3.965 16.446 -6.436
183 HB2 GLU 32 HB2 GLU 32 -6.084 15.312 -6.816
184 HB3 GLU 32 HB1 GLU 32 -5.330 15.718 -8.351
185 HG2 GLU 32 HG2 GLU 32 -4.485 13.381 -8.477
186 HG3 GLU 32 HG1 GLU 32 -5.433 13.017 -7.035
187 H LYS 33 HN LYS 33 -5.604 15.125 -4.850
188 HA LYS 33 HA LYS 33 -3.829 13.362 -3.302
189 HB2 LYS 33 HB2 LYS 33 -5.835 15.423 -2.556
190 HB3 LYS 33 HB1 LYS 33 -5.700 14.022 -1.502
191 HG2 LYS 33 HG2 LYS 33 -3.118 15.169 -2.210
192 HG3 LYS 33 HG1 LYS 33 -4.177 16.299 -1.365
193 HD2 LYS 33 HD2 LYS 33 -3.412 15.322 0.503
194 HD3 LYS 33 HD1 LYS 33 -4.511 14.006 0.088
195 HE2 LYS 33 HE2 LYS 33 -2.708 12.866 -1.098
196 HE3 LYS 33 HE1 LYS 33 -1.609 14.189 -0.714
197 HZ1 LYS 33 HZ1 LYS 33 -2.780 12.180 1.103
198 HZ2 LYS 33 HZ2 LYS 33 -2.200 13.653 1.700
199 HZ3 LYS 33 HZ3 LYS 33 -1.154 12.599 0.891
200 H SER 34 HN SER 34 -4.363 11.402 -4.253
201 HA SER 34 HA SER 34 -6.948 10.502 -4.830
202 HB2 SER 34 HB2 SER 34 -4.934 8.504 -3.946
203 HB3 SER 34 HB1 SER 34 -5.959 8.511 -5.379
204 HG SER 34 HG SER 34 -4.576 10.136 -6.240
205 H ASP 35 HN ASP 35 -8.526 9.571 -3.654
206 HA ASP 35 HA ASP 35 -8.338 9.718 -0.785
207 HB2 ASP 35 HB2 ASP 35 -10.395 10.091 -2.483
208 HB3 ASP 35 HB1 ASP 35 -10.686 8.410 -2.041
209 H PHE 36 HN PHE 36 -7.750 7.312 -3.126
210 HA PHE 36 HA PHE 36 -8.191 5.154 -1.204
211 HB2 PHE 36 HB2 PHE 36 -8.403 3.707 -2.966
212 HB3 PHE 36 HB1 PHE 36 -8.945 5.190 -3.731
213 HD1 PHE 36 HD1 PHE 36 -6.151 6.418 -4.092
214 HD2 PHE 36 HD2 PHE 36 -7.737 2.552 -4.883
215 HE1 PHE 36 HE1 PHE 36 -4.446 6.076 -5.833
216 HE2 PHE 36 HE2 PHE 36 -6.035 2.201 -6.619
217 HZ PHE 36 HZ PHE 36 -4.385 3.960 -7.096
218 H CYS 37 HN CYS 37 -5.658 7.094 -2.293
219 HA CYS 37 HA CYS 37 -3.558 5.230 -2.241
220 HB2 CYS 37 HB2 CYS 37 -3.756 8.190 -1.940
221 HB3 CYS 37 HB1 CYS 37 -2.256 7.412 -1.448
222 H GLN 38 HN GLN 38 -5.673 5.852 0.164
223 HA GLN 38 HA GLN 38 -3.739 5.691 2.332
224 HB2 GLN 38 HB2 GLN 38 -6.557 5.421 3.051
225 HB3 GLN 38 HB1 GLN 38 -5.356 6.551 3.655
226 HG2 GLN 38 HG2 GLN 38 -6.886 6.838 1.084
227 HG3 GLN 38 HG1 GLN 38 -7.265 7.662 2.596
228 HE21 GLN 38 HE21 GLN 38 -5.623 7.860 -0.297
229 HE22 GLN 38 HE22 GLN 38 -4.596 9.200 0.068
230 H ASN 39 HN ASN 39 -5.473 3.689 0.274
231 HA ASN 39 HA ASN 39 -5.852 1.507 2.124
232 HB2 ASN 39 HB2 ASN 39 -7.273 1.954 0.062
233 HB3 ASN 39 HB1 ASN 39 -5.914 1.357 -0.883
234 HD21 ASN 39 HD21 ASN 39 -8.657 0.540 0.907
235 HD22 ASN 39 HD22 ASN 39 -8.464 -1.176 0.883
236 H CYS 40 HN CYS 40 -3.626 2.392 -0.406
237 HA CYS 40 HA CYS 40 -2.059 0.205 -0.753
238 HB2 CYS 40 HB2 CYS 40 -1.726 2.303 -1.950
239 HB3 CYS 40 HB1 CYS 40 -1.145 3.076 -0.486
240 HA PRO 41 HA PRO 41 0.658 1.239 3.132
241 HB2 PRO 41 HB2 PRO 41 -0.535 2.837 5.017
242 HB3 PRO 41 HB1 PRO 41 0.587 3.428 3.787
243 HG2 PRO 41 HG2 PRO 41 -2.401 3.509 3.823
244 HG3 PRO 41 HG1 PRO 41 -1.251 4.745 3.284
245 HD2 PRO 41 HD2 PRO 41 -2.580 3.169 1.550
246 HD3 PRO 41 HD1 PRO 41 -0.930 3.737 1.238
247 H SER 42 HN SER 42 -2.347 1.921 4.851
248 HA SER 42 HA SER 42 -3.461 0.713 6.433
249 HB2 SER 42 HB2 SER 42 -3.225 -1.472 4.353
250 HB3 SER 42 HB1 SER 42 -4.456 -1.342 5.609
251 HG SER 42 HG SER 42 -4.068 0.678 3.670
252 H LYS 43 HN LYS 43 -3.524 -1.845 7.272
253 HA LYS 43 HA LYS 43 -1.022 -2.081 8.674
254 HB2 LYS 43 HB2 LYS 43 -3.643 -2.738 9.252
255 HB3 LYS 43 HB1 LYS 43 -2.898 -4.306 8.974
256 HG2 LYS 43 HG2 LYS 43 -1.073 -2.993 10.579
257 HG3 LYS 43 HG1 LYS 43 -2.640 -2.495 11.222
258 HD2 LYS 43 HD2 LYS 43 -2.549 -4.426 12.366
259 HD3 LYS 43 HD1 LYS 43 -3.026 -5.167 10.837
260 HE2 LYS 43 HE2 LYS 43 -0.607 -5.427 10.292
261 HE3 LYS 43 HE1 LYS 43 -0.228 -4.848 11.914
262 HZ1 LYS 43 HZ1 LYS 43 -0.256 -7.055 12.328
263 HZ2 LYS 43 HZ2 LYS 43 -1.321 -7.412 11.065
264 HZ3 LYS 43 HZ3 LYS 43 -1.915 -6.781 12.517
265 H THR 44 HN THR 44 0.534 -3.623 8.441
266 HA THR 44 HA THR 44 0.946 -4.794 5.945
267 HB THR 44 HB THR 44 2.759 -4.346 7.529
268 HG1 THR 44 HG1 THR 44 3.798 -5.853 6.542
269 HG21 THR 44 HG21 THR 44 2.450 -4.890 9.661
270 HG22 THR 44 HG22 THR 44 2.931 -6.516 9.177
271 HG23 THR 44 HG23 THR 44 1.221 -6.095 9.271
272 H GLU 45 HN GLU 45 0.568 -6.784 5.087
273 HA GLU 45 HA GLU 45 -1.328 -8.470 6.547
274 HB2 GLU 45 HB2 GLU 45 -1.362 -7.563 3.966
275 HB3 GLU 45 HB1 GLU 45 -0.694 -9.177 3.763
276 HG2 GLU 45 HG2 GLU 45 -3.092 -8.917 5.476
277 HG3 GLU 45 HG1 GLU 45 -3.305 -8.678 3.742
278 H GLN 46 HN GLN 46 1.182 -8.682 7.556
279 HA GLN 46 HA GLN 46 2.235 -11.194 6.451
280 HB2 GLN 46 HB2 GLN 46 4.324 -10.638 7.623
281 HB3 GLN 46 HB1 GLN 46 3.854 -9.381 6.486
282 HG2 GLN 46 HG2 GLN 46 3.907 -7.864 8.083
283 HG3 GLN 46 HG1 GLN 46 2.731 -8.772 9.028
284 HE21 GLN 46 HE21 GLN 46 4.582 -7.320 10.333
285 HE22 GLN 46 HE22 GLN 46 5.751 -8.349 11.081
286 HA PRO 47 HA PRO 47 0.012 -12.686 10.185
287 HB2 PRO 47 HB2 PRO 47 0.806 -15.242 8.892
288 HB3 PRO 47 HB1 PRO 47 -0.765 -14.743 9.531
289 HG2 PRO 47 HG2 PRO 47 -0.328 -14.835 6.904
290 HG3 PRO 47 HG1 PRO 47 -1.307 -13.543 7.624
291 HD2 PRO 47 HD2 PRO 47 1.511 -13.461 6.634
292 HD3 PRO 47 HD1 PRO 47 0.239 -12.229 6.524
293 H ASP 48 HN ASP 48 1.823 -11.897 11.456
294 HA ASP 48 HA ASP 48 3.604 -12.134 12.853
295 HB2 ASP 48 HB2 ASP 48 2.033 -14.062 13.534
296 HB3 ASP 48 HB1 ASP 48 3.176 -15.110 12.699
297 H PHE 49 HN PHE 49 4.268 -11.957 10.138
298 HA PHE 49 HA PHE 49 6.051 -12.177 8.742
299 HB2 PHE 49 HB2 PHE 49 7.182 -11.921 11.112
300 HB3 PHE 49 HB1 PHE 49 7.629 -13.604 10.844
301 HD1 PHE 49 HD2 PHE 49 8.751 -14.112 8.542
302 HD2 PHE 49 HD1 PHE 49 8.558 -10.254 10.326
303 HE1 PHE 49 HE2 PHE 49 10.664 -13.389 7.173
304 HE2 PHE 49 HE1 PHE 49 10.469 -9.522 8.960
305 HZ PHE 49 HZ PHE 49 11.525 -11.091 7.382
306 HA PRO 50 HA PRO 50 4.962 -16.495 7.693
307 HB2 PRO 50 HB2 PRO 50 5.012 -16.096 5.003
308 HB3 PRO 50 HB1 PRO 50 3.607 -15.719 6.009
309 HG2 PRO 50 HG2 PRO 50 5.733 -13.890 4.961
310 HG3 PRO 50 HG1 PRO 50 3.979 -13.641 5.033
311 HD2 PRO 50 HD2 PRO 50 5.672 -12.550 6.836
312 HD3 PRO 50 HD1 PRO 50 4.026 -13.061 7.266
313 H TRP 51 HN TRP 51 6.457 -18.038 7.610
314 HA TRP 51 HA TRP 51 8.806 -17.708 5.915
315 HB2 TRP 51 HB2 TRP 51 9.013 -17.129 8.590
316 HB3 TRP 51 HB1 TRP 51 9.479 -18.825 8.550
317 HD1 TRP 51 HD1 TRP 51 10.699 -17.890 5.378
318 HE1 TRP 51 HE1 TRP 51 13.135 -17.066 5.429
319 HE3 TRP 51 HE3 TRP 51 11.136 -16.957 10.387
320 HZ2 TRP 51 HZ2 TRP 51 14.997 -16.143 7.339
321 HZ3 TRP 51 HZ3 TRP 51 13.279 -16.106 11.244
322 HH2 TRP 51 HH2 TRP 51 15.169 -15.708 9.750
323 H ILE 52 HN ILE 52 9.933 -19.709 5.502
324 HA ILE 52 HA ILE 52 8.177 -22.047 5.842
325 HB ILE 52 HB ILE 52 10.369 -21.768 3.793
326 HG12 ILE 52 HG12 ILE 52 8.712 -19.977 3.458
327 HG13 ILE 52 HG11 ILE 52 8.636 -21.173 2.168
328 HG21 ILE 52 HG21 ILE 52 8.552 -23.450 2.741
329 HG22 ILE 52 HG22 ILE 52 8.325 -23.783 4.458
330 HG23 ILE 52 HG23 ILE 52 9.917 -23.976 3.725
331 HD11 ILE 52 HD11 ILE 52 6.820 -21.521 4.483
332 HD12 ILE 52 HD12 ILE 52 6.574 -21.899 2.777
333 HD13 ILE 52 HD13 ILE 52 6.470 -20.230 3.335
334 H TRP 53 HN TRP 53 8.828 -23.521 7.250
335 HA TRP 53 HA TRP 53 11.582 -24.371 7.356
336 HB2 TRP 53 HB2 TRP 53 11.445 -22.373 8.901
337 HB3 TRP 53 HB1 TRP 53 10.334 -23.310 9.895
338 HD1 TRP 53 HD1 TRP 53 11.412 -25.677 10.923
339 HE1 TRP 53 HE1 TRP 53 13.800 -26.106 11.780
340 HE3 TRP 53 HE3 TRP 53 13.804 -21.769 8.654
341 HZ2 TRP 53 HZ2 TRP 53 16.359 -24.940 11.530
342 HZ3 TRP 53 HZ3 TRP 53 16.223 -21.496 9.016
343 HH2 TRP 53 HH2 TRP 53 17.472 -23.050 10.424
344 H VAL 54 HN VAL 54 10.661 -26.341 6.684
345 HA VAL 54 HA VAL 54 9.337 -27.818 8.857
346 HB VAL 54 HB VAL 54 8.648 -28.168 5.939
347 HG11 VAL 54 HG11 VAL 54 8.382 -30.129 7.465
348 HG12 VAL 54 HG12 VAL 54 6.884 -29.584 6.710
349 HG13 VAL 54 HG13 VAL 54 7.221 -29.178 8.393
350 HG21 VAL 54 HG21 VAL 54 7.964 -25.945 6.974
351 HG22 VAL 54 HG22 VAL 54 6.888 -26.884 8.008
352 HG23 VAL 54 HG23 VAL 54 6.681 -26.919 6.257
Start of MODEL 7
1 H1 SER 5 HT1 SER 5 -15.150 -13.523 -8.633
2 H2 SER 5 HT2 SER 5 -13.562 -13.709 -8.010
3 H3 SER 5 HT3 SER 5 -14.217 -14.897 -9.061
4 HA SER 5 HA SER 5 -12.758 -13.660 -10.331
5 HB2 SER 5 HB2 SER 5 -14.410 -12.458 -11.870
6 HB3 SER 5 HB1 SER 5 -14.755 -14.152 -11.526
7 HG SER 5 HG SER 5 -16.543 -12.557 -11.336
8 H GLN 6 HN GLN 6 -14.987 -11.525 -8.584
9 HA GLN 6 HA GLN 6 -13.834 -9.084 -9.328
10 HB2 GLN 6 HB2 GLN 6 -15.891 -9.957 -7.598
11 HB3 GLN 6 HB1 GLN 6 -14.819 -8.957 -6.628
12 HG2 GLN 6 HG2 GLN 6 -16.190 -7.341 -7.412
13 HG3 GLN 6 HG1 GLN 6 -15.019 -7.358 -8.729
14 HE21 GLN 6 HE21 GLN 6 -15.673 -9.439 -10.228
15 HE22 GLN 6 HE22 GLN 6 -17.285 -9.304 -10.838
16 H GLY 7 HN GLY 7 -11.654 -8.895 -9.196
17 HA2 GLY 7 HA2 GLY 7 -10.293 -8.005 -7.088
18 HA3 GLY 7 HA1 GLY 7 -10.263 -9.734 -6.778
19 H GLU 8 HN GLU 8 -9.517 -7.353 -9.309
20 HA GLU 8 HA GLU 8 -7.350 -9.122 -10.217
21 HB2 GLU 8 HB2 GLU 8 -7.471 -7.993 -12.362
22 HB3 GLU 8 HB1 GLU 8 -9.063 -8.589 -11.915
23 HG2 GLU 8 HG2 GLU 8 -9.948 -6.536 -11.813
24 HG3 GLU 8 HG1 GLU 8 -8.507 -5.839 -11.072
25 H CYS 9 HN CYS 9 -7.070 -7.496 -7.928
26 HA CYS 9 HA CYS 9 -4.962 -5.672 -8.861
27 HB2 CYS 9 HB2 CYS 9 -6.954 -5.130 -6.649
28 HB3 CYS 9 HB1 CYS 9 -5.558 -4.121 -7.013
29 HA PRO 10 HA PRO 10 -2.896 -8.562 -6.015
30 HB2 PRO 10 HB2 PRO 10 -0.370 -7.878 -6.775
31 HB3 PRO 10 HB1 PRO 10 -1.374 -9.030 -7.663
32 HG2 PRO 10 HG2 PRO 10 -0.879 -6.130 -8.216
33 HG3 PRO 10 HG1 PRO 10 -0.931 -7.493 -9.350
34 HD2 PRO 10 HD2 PRO 10 -3.009 -5.803 -9.041
35 HD3 PRO 10 HD1 PRO 10 -3.241 -7.526 -9.399
36 H GLU 11 HN GLU 11 -0.775 -8.114 -4.612
37 HA GLU 11 HA GLU 11 -1.450 -6.250 -2.674
38 HB2 GLU 11 HB2 GLU 11 1.096 -7.703 -3.321
39 HB3 GLU 11 HB1 GLU 11 1.052 -6.521 -2.020
40 HG2 GLU 11 HG2 GLU 11 -1.146 -8.084 -1.505
41 HG3 GLU 11 HG1 GLU 11 0.035 -9.242 -2.113
42 H GLY 12 HN GLY 12 0.454 -4.634 -1.940
43 HA2 GLY 12 HA2 GLY 12 1.243 -2.497 -2.276
44 HA3 GLY 12 HA1 GLY 12 1.907 -3.151 -3.767
45 H ARG 13 HN ARG 13 -1.493 -2.844 -2.892
46 HA ARG 13 HA ARG 13 -1.810 -0.820 -5.004
47 HB2 ARG 13 HB2 ARG 13 -3.319 -2.060 -6.129
48 HB3 ARG 13 HB1 ARG 13 -2.607 -3.412 -5.268
49 HG2 ARG 13 HG2 ARG 13 -4.525 -2.398 -3.516
50 HG3 ARG 13 HG1 ARG 13 -5.276 -2.326 -5.111
51 HD2 ARG 13 HD2 ARG 13 -4.643 -4.711 -5.446
52 HD3 ARG 13 HD1 ARG 13 -4.052 -4.742 -3.786
53 HE ARG 13 HE ARG 13 -6.764 -4.925 -4.637
54 HH11 ARG 13 HH11 ARG 13 -4.717 -3.761 -2.063
55 HH12 ARG 13 HH12 ARG 13 -5.957 -3.870 -0.858
56 HH21 ARG 13 HH21 ARG 13 -8.397 -5.068 -3.054
57 HH22 ARG 13 HH22 ARG 13 -8.044 -4.612 -1.421
58 H ALA 14 HN ALA 14 -4.436 -0.277 -4.829
59 HA ALA 14 HA ALA 14 -5.144 0.145 -2.061
60 HB1 ALA 14 HB1 ALA 14 -4.375 2.245 -2.084
61 HB2 ALA 14 HB2 ALA 14 -5.809 2.596 -3.045
62 HB3 ALA 14 HB3 ALA 14 -4.264 2.289 -3.843
63 H TYR 15 HN TYR 15 -7.350 1.675 -2.307
64 HA TYR 15 HA TYR 15 -9.010 0.757 -4.482
65 HB2 TYR 15 HB2 TYR 15 -9.172 -1.173 -3.022
66 HB3 TYR 15 HB1 TYR 15 -9.516 -0.143 -1.637
67 HD1 TYR 15 HD2 TYR 15 -10.874 -1.004 -5.006
68 HD2 TYR 15 HD1 TYR 15 -11.719 0.213 -1.019
69 HE1 TYR 15 HE2 TYR 15 -13.282 -1.205 -5.463
70 HE2 TYR 15 HE1 TYR 15 -14.130 0.015 -1.463
71 HH TYR 15 HH TYR 15 -15.644 0.090 -3.475
72 H SER 16 HN SER 16 -10.297 2.409 -5.009
73 HA SER 16 HA SER 16 -10.702 4.503 -3.011
74 HB2 SER 16 HB2 SER 16 -11.732 5.329 -5.522
75 HB3 SER 16 HB1 SER 16 -10.272 5.894 -4.706
76 HG SER 16 HG SER 16 -10.532 3.785 -6.578
77 H GLN 17 HN GLN 17 -12.438 3.952 -1.798
78 HA GLN 17 HA GLN 17 -14.700 2.573 -2.646
79 HB2 GLN 17 HB2 GLN 17 -14.348 4.551 -0.393
80 HB3 GLN 17 HB1 GLN 17 -15.808 3.599 -0.625
81 HG2 GLN 17 HG2 GLN 17 -14.639 1.564 -0.247
82 HG3 GLN 17 HG1 GLN 17 -13.080 2.387 -0.283
83 HE21 GLN 17 HE21 GLN 17 -12.213 2.782 1.615
84 HE22 GLN 17 HE22 GLN 17 -13.061 2.961 3.108
85 H ASP 18 HN ASP 18 -13.826 5.877 -3.070
86 HA ASP 18 HA ASP 18 -16.374 7.000 -3.471
87 HB2 ASP 18 HB2 ASP 18 -13.587 7.778 -3.971
88 HB3 ASP 18 HB1 ASP 18 -14.731 8.464 -5.121
89 H LEU 19 HN LEU 19 -13.967 5.926 -5.870
90 HA LEU 19 HA LEU 19 -15.859 6.048 -8.007
91 HB2 LEU 19 HB2 LEU 19 -13.097 4.843 -7.909
92 HB3 LEU 19 HB1 LEU 19 -14.042 5.086 -9.367
93 HG LEU 19 HG LEU 19 -13.269 7.383 -7.585
94 HD11 LEU 19 HD11 LEU 19 -11.731 6.849 -10.055
95 HD12 LEU 19 HD12 LEU 19 -11.362 5.856 -8.645
96 HD13 LEU 19 HD13 LEU 19 -11.229 7.611 -8.546
97 HD21 LEU 19 HD21 LEU 19 -14.925 8.093 -9.040
98 HD22 LEU 19 HD22 LEU 19 -14.358 7.059 -10.352
99 HD23 LEU 19 HD23 LEU 19 -13.447 8.504 -9.912
100 H GLY 20 HN GLY 20 -14.817 3.674 -5.746
101 HA2 GLY 20 HA2 GLY 20 -15.684 1.584 -5.299
102 HA3 GLY 20 HA1 GLY 20 -16.845 1.843 -6.591
103 H LYS 21 HN LYS 21 -13.284 1.624 -6.496
104 HA LYS 21 HA LYS 21 -13.281 -0.867 -7.917
105 HB2 LYS 21 HB2 LYS 21 -11.958 0.137 -9.869
106 HB3 LYS 21 HB1 LYS 21 -13.701 0.366 -9.869
107 HG2 LYS 21 HG2 LYS 21 -13.544 2.614 -9.418
108 HG3 LYS 21 HG1 LYS 21 -11.955 2.460 -8.665
109 HD2 LYS 21 HD2 LYS 21 -10.894 2.780 -10.608
110 HD3 LYS 21 HD1 LYS 21 -11.951 1.655 -11.461
111 HE2 LYS 21 HE2 LYS 21 -13.609 3.355 -11.779
112 HE3 LYS 21 HE1 LYS 21 -12.728 4.476 -10.741
113 HZ1 LYS 21 HZ1 LYS 21 -11.745 3.416 -13.336
114 HZ2 LYS 21 HZ2 LYS 21 -10.944 4.534 -12.352
115 HZ3 LYS 21 HZ3 LYS 21 -12.403 4.956 -13.097
116 H CYS 22 HN CYS 22 -11.201 -1.805 -8.067
117 HA CYS 22 HA CYS 22 -9.295 -0.616 -6.202
118 HB2 CYS 22 HB2 CYS 22 -8.292 -2.792 -6.032
119 HB3 CYS 22 HB1 CYS 22 -10.034 -2.988 -5.902
120 H MET 23 HN MET 23 -7.270 -0.010 -6.728
121 HA MET 23 HA MET 23 -6.278 -0.515 -9.429
122 HB2 MET 23 HB2 MET 23 -5.473 2.046 -9.191
123 HB3 MET 23 HB1 MET 23 -6.956 1.578 -10.003
124 HG2 MET 23 HG2 MET 23 -7.295 1.965 -7.147
125 HG3 MET 23 HG1 MET 23 -6.707 3.401 -7.979
126 HE1 MET 23 HE1 MET 23 -9.317 4.755 -9.993
127 HE2 MET 23 HE2 MET 23 -7.731 4.810 -9.222
128 HE3 MET 23 HE3 MET 23 -9.183 5.137 -8.276
129 H GLU 24 HN GLU 24 -3.967 1.075 -9.249
130 HA GLU 24 HA GLU 24 -2.600 -0.283 -7.025
131 HB2 GLU 24 HB2 GLU 24 -0.877 -0.784 -8.379
132 HB3 GLU 24 HB1 GLU 24 -2.041 -0.531 -9.663
133 HG2 GLU 24 HG2 GLU 24 -1.241 1.834 -9.760
134 HG3 GLU 24 HG1 GLU 24 0.050 1.353 -8.660
135 H CYS 25 HN CYS 25 -1.701 0.888 -5.485
136 HA CYS 25 HA CYS 25 -1.929 3.678 -5.376
137 HB2 CYS 25 HB2 CYS 25 -0.161 3.450 -3.504
138 HB3 CYS 25 HB1 CYS 25 -1.709 2.648 -3.279
139 H SER 26 HN SER 26 0.441 1.583 -6.739
140 HA SER 26 HA SER 26 2.618 3.335 -6.917
141 HB2 SER 26 HB2 SER 26 2.224 0.762 -7.658
142 HB3 SER 26 HB1 SER 26 2.111 1.549 -9.232
143 HG SER 26 HG SER 26 4.185 1.835 -9.193
144 H VAL 27 HN VAL 27 -0.451 3.227 -8.533
145 HA VAL 27 HA VAL 27 0.271 4.734 -10.830
146 HB VAL 27 HB VAL 27 -2.324 4.062 -9.523
147 HG11 VAL 27 HG11 VAL 27 -1.913 6.316 -11.448
148 HG12 VAL 27 HG12 VAL 27 -2.898 6.265 -9.986
149 HG13 VAL 27 HG13 VAL 27 -3.421 5.401 -11.433
150 HG21 VAL 27 HG21 VAL 27 -2.031 3.862 -12.422
151 HG22 VAL 27 HG22 VAL 27 -2.555 2.655 -11.248
152 HG23 VAL 27 HG23 VAL 27 -0.835 2.935 -11.518
153 H CYS 28 HN CYS 28 -0.323 5.596 -7.550
154 HA CYS 28 HA CYS 28 -1.088 8.275 -7.842
155 HB2 CYS 28 HB2 CYS 28 0.337 6.780 -5.654
156 HB3 CYS 28 HB1 CYS 28 0.051 8.511 -5.531
157 H LYS 29 HN LYS 29 0.232 10.202 -7.382
158 HA LYS 29 HA LYS 29 3.043 10.196 -7.562
159 HB2 LYS 29 HB2 LYS 29 2.008 9.587 -9.982
160 HB3 LYS 29 HB1 LYS 29 2.018 11.341 -10.090
161 HG2 LYS 29 HG2 LYS 29 4.155 11.261 -10.642
162 HG3 LYS 29 HG1 LYS 29 4.518 10.606 -9.044
163 HD2 LYS 29 HD2 LYS 29 4.800 8.512 -9.829
164 HD3 LYS 29 HD1 LYS 29 3.464 8.654 -10.973
165 HE2 LYS 29 HE2 LYS 29 4.977 8.827 -12.593
166 HE3 LYS 29 HE1 LYS 29 5.419 10.399 -11.926
167 HZ1 LYS 29 HZ1 LYS 29 6.611 8.080 -10.640
168 HZ2 LYS 29 HZ2 LYS 29 7.293 9.582 -11.013
169 HZ3 LYS 29 HZ3 LYS 29 7.138 8.402 -12.214
170 H ASN 30 HN ASN 30 3.572 11.974 -6.497
171 HA ASN 30 HA ASN 30 3.535 14.077 -5.633
172 HB2 ASN 30 HB2 ASN 30 2.649 14.427 -8.449
173 HB3 ASN 30 HB1 ASN 30 2.421 15.794 -7.362
174 HD21 ASN 30 HD21 ASN 30 3.945 16.891 -8.721
175 HD22 ASN 30 HD22 ASN 30 5.639 16.642 -8.493
176 H SER 31 HN SER 31 1.892 16.121 -5.455
177 HA SER 31 HA SER 31 -0.213 15.204 -3.831
178 HB2 SER 31 HB2 SER 31 0.708 17.840 -4.844
179 HB3 SER 31 HB1 SER 31 -0.961 17.747 -4.283
180 HG SER 31 HG SER 31 -0.008 16.732 -2.340
181 H GLU 32 HN GLU 32 -1.804 14.008 -4.691
182 HA GLU 32 HA GLU 32 -3.336 15.193 -6.906
183 HB2 GLU 32 HB2 GLU 32 -2.013 13.314 -7.761
184 HB3 GLU 32 HB1 GLU 32 -2.701 12.261 -6.532
185 HG2 GLU 32 HG2 GLU 32 -4.023 11.708 -8.289
186 HG3 GLU 32 HG1 GLU 32 -4.968 13.039 -7.625
187 H LYS 33 HN LYS 33 -5.555 14.996 -6.796
188 HA LYS 33 HA LYS 33 -6.654 14.625 -4.183
189 HB2 LYS 33 HB2 LYS 33 -7.846 15.251 -6.877
190 HB3 LYS 33 HB1 LYS 33 -8.857 14.974 -5.465
191 HG2 LYS 33 HG2 LYS 33 -8.123 16.893 -4.399
192 HG3 LYS 33 HG1 LYS 33 -6.653 16.989 -5.371
193 HD2 LYS 33 HD2 LYS 33 -9.415 17.345 -6.519
194 HD3 LYS 33 HD1 LYS 33 -8.442 18.686 -5.914
195 HE2 LYS 33 HE2 LYS 33 -7.002 18.609 -7.663
196 HE3 LYS 33 HE1 LYS 33 -7.126 16.858 -7.828
197 HZ1 LYS 33 HZ1 LYS 33 -8.697 18.952 -9.080
198 HZ2 LYS 33 HZ2 LYS 33 -9.576 17.606 -8.557
199 HZ3 LYS 33 HZ3 LYS 33 -8.298 17.409 -9.648
200 H SER 34 HN SER 34 -5.711 12.313 -4.242
201 HA SER 34 HA SER 34 -7.754 10.471 -5.298
202 HB2 SER 34 HB2 SER 34 -4.806 10.339 -5.227
203 HB3 SER 34 HB1 SER 34 -5.632 8.848 -4.772
204 HG SER 34 HG SER 34 -5.409 8.784 -6.961
205 H ASP 35 HN ASP 35 -8.966 9.459 -3.845
206 HA ASP 35 HA ASP 35 -8.097 9.470 -1.044
207 HB2 ASP 35 HB2 ASP 35 -10.516 10.161 -2.204
208 HB3 ASP 35 HB1 ASP 35 -10.824 8.558 -1.544
209 H PHE 36 HN PHE 36 -7.446 7.501 -3.349
210 HA PHE 36 HA PHE 36 -8.325 5.046 -2.012
211 HB2 PHE 36 HB2 PHE 36 -8.571 4.105 -4.051
212 HB3 PHE 36 HB1 PHE 36 -8.475 5.744 -4.671
213 HD1 PHE 36 HD2 PHE 36 -6.046 6.615 -5.113
214 HD2 PHE 36 HD1 PHE 36 -7.169 2.524 -4.878
215 HE1 PHE 36 HE2 PHE 36 -4.044 6.002 -6.404
216 HE2 PHE 36 HE1 PHE 36 -5.163 1.895 -6.167
217 HZ PHE 36 HZ PHE 36 -3.604 3.638 -6.928
218 H CYS 37 HN CYS 37 -5.522 6.848 -2.921
219 HA CYS 37 HA CYS 37 -3.645 4.800 -2.510
220 HB2 CYS 37 HB2 CYS 37 -3.576 7.586 -3.043
221 HB3 CYS 37 HB1 CYS 37 -2.578 7.313 -1.621
222 H GLN 38 HN GLN 38 -5.881 5.824 -0.402
223 HA GLN 38 HA GLN 38 -4.206 5.804 1.970
224 HB2 GLN 38 HB2 GLN 38 -6.548 5.847 3.069
225 HB3 GLN 38 HB1 GLN 38 -5.969 7.284 2.246
226 HG2 GLN 38 HG2 GLN 38 -7.542 7.162 0.647
227 HG3 GLN 38 HG1 GLN 38 -7.513 5.400 0.603
228 HE21 GLN 38 HE21 GLN 38 -8.595 8.141 2.550
229 HE22 GLN 38 HE22 GLN 38 -9.990 7.358 3.201
230 H ASN 39 HN ASN 39 -5.906 3.642 0.003
231 HA ASN 39 HA ASN 39 -6.416 1.671 2.038
232 HB2 ASN 39 HB2 ASN 39 -7.519 2.072 -0.376
233 HB3 ASN 39 HB1 ASN 39 -6.340 0.836 -0.799
234 HD21 ASN 39 HD21 ASN 39 -6.655 -1.236 -0.156
235 HD22 ASN 39 HD22 ASN 39 -8.069 -1.780 0.676
236 H CYS 40 HN CYS 40 -3.998 2.249 -0.385
237 HA CYS 40 HA CYS 40 -2.584 -0.171 -0.166
238 HB2 CYS 40 HB2 CYS 40 -2.356 1.445 -2.029
239 HB3 CYS 40 HB1 CYS 40 -1.539 2.558 -0.940
240 HA PRO 41 HA PRO 41 -1.063 0.641 4.022
241 HB2 PRO 41 HB2 PRO 41 0.315 -1.933 3.542
242 HB3 PRO 41 HB1 PRO 41 -0.766 -1.464 4.858
243 HG2 PRO 41 HG2 PRO 41 -1.572 -3.147 2.946
244 HG3 PRO 41 HG1 PRO 41 -2.675 -1.944 3.640
245 HD2 PRO 41 HD2 PRO 41 -1.211 -1.892 1.027
246 HD3 PRO 41 HD1 PRO 41 -2.876 -1.393 1.396
247 H SER 42 HN SER 42 1.089 0.773 5.008
248 HA SER 42 HA SER 42 3.077 1.610 3.029
249 HB2 SER 42 HB2 SER 42 2.306 3.110 4.963
250 HB3 SER 42 HB1 SER 42 3.249 2.047 6.008
251 HG SER 42 HG SER 42 5.025 2.521 4.460
252 H LYS 43 HN LYS 43 2.893 -0.283 6.040
253 HA LYS 43 HA LYS 43 4.156 -1.993 6.848
254 HB2 LYS 43 HB2 LYS 43 4.932 -2.559 3.992
255 HB3 LYS 43 HB1 LYS 43 4.802 -3.699 5.325
256 HG2 LYS 43 HG2 LYS 43 2.446 -3.612 5.301
257 HG3 LYS 43 HG1 LYS 43 2.436 -2.192 4.253
258 HD2 LYS 43 HD2 LYS 43 2.082 -3.701 2.618
259 HD3 LYS 43 HD1 LYS 43 3.828 -3.942 2.723
260 HE2 LYS 43 HE2 LYS 43 3.191 -5.672 4.569
261 HE3 LYS 43 HE1 LYS 43 1.608 -5.633 3.794
262 HZ1 LYS 43 HZ1 LYS 43 2.393 -6.628 1.927
263 HZ2 LYS 43 HZ2 LYS 43 3.479 -7.298 3.037
264 HZ3 LYS 43 HZ3 LYS 43 3.951 -5.985 2.082
265 H THR 44 HN THR 44 5.394 0.627 6.518
266 HA THR 44 HA THR 44 8.165 -0.235 6.756
267 HB THR 44 HB THR 44 8.580 2.068 5.388
268 HG1 THR 44 HG1 THR 44 6.384 0.821 4.104
269 HG21 THR 44 HG21 THR 44 9.707 -0.025 4.894
270 HG22 THR 44 HG22 THR 44 9.104 0.737 3.422
271 HG23 THR 44 HG23 THR 44 8.246 -0.638 4.118
272 H GLU 45 HN GLU 45 7.488 0.195 8.998
273 HA GLU 45 HA GLU 45 6.992 2.928 9.767
274 HB2 GLU 45 HB2 GLU 45 6.021 0.988 10.988
275 HB3 GLU 45 HB1 GLU 45 7.640 0.543 11.509
276 HG2 GLU 45 HG2 GLU 45 6.857 1.688 13.335
277 HG3 GLU 45 HG1 GLU 45 7.713 2.957 12.460
278 H GLN 46 HN GLN 46 8.911 3.867 8.825
279 HA GLN 46 HA GLN 46 11.408 3.276 10.246
280 HB2 GLN 46 HB2 GLN 46 12.485 4.595 8.444
281 HB3 GLN 46 HB1 GLN 46 11.592 3.207 7.840
282 HG2 GLN 46 HG2 GLN 46 10.328 4.491 6.557
283 HG3 GLN 46 HG1 GLN 46 9.900 5.527 7.917
284 HE21 GLN 46 HE21 GLN 46 10.093 7.500 7.051
285 HE22 GLN 46 HE22 GLN 46 11.540 8.136 6.354
286 HA PRO 47 HA PRO 47 10.164 7.117 12.406
287 HB2 PRO 47 HB2 PRO 47 11.548 6.602 14.672
288 HB3 PRO 47 HB1 PRO 47 9.960 5.895 14.349
289 HG2 PRO 47 HG2 PRO 47 12.678 4.685 13.998
290 HG3 PRO 47 HG1 PRO 47 11.216 3.963 14.696
291 HD2 PRO 47 HD2 PRO 47 12.017 3.468 12.156
292 HD3 PRO 47 HD1 PRO 47 10.307 3.498 12.631
293 H ASP 48 HN ASP 48 11.562 8.794 13.525
294 HA ASP 48 HA ASP 48 14.347 8.864 13.218
295 HB2 ASP 48 HB2 ASP 48 13.621 8.913 10.784
296 HB3 ASP 48 HB1 ASP 48 12.939 10.504 11.110
297 H PHE 49 HN PHE 49 12.420 9.568 15.152
298 HA PHE 49 HA PHE 49 11.764 11.239 16.566
299 HB2 PHE 49 HB2 PHE 49 14.502 12.234 15.757
300 HB3 PHE 49 HB1 PHE 49 13.586 12.845 17.130
301 HD1 PHE 49 HD2 PHE 49 12.934 11.173 18.950
302 HD2 PHE 49 HD1 PHE 49 15.891 10.388 15.991
303 HE1 PHE 49 HE2 PHE 49 13.882 9.404 20.372
304 HE2 PHE 49 HE1 PHE 49 16.844 8.616 17.408
305 HZ PHE 49 HZ PHE 49 15.840 8.123 19.602
306 HA PRO 50 HA PRO 50 10.809 14.242 13.039
307 HB2 PRO 50 HB2 PRO 50 8.293 13.478 12.457
308 HB3 PRO 50 HB1 PRO 50 9.701 12.711 11.711
309 HG2 PRO 50 HG2 PRO 50 8.021 11.767 14.002
310 HG3 PRO 50 HG1 PRO 50 8.660 10.845 12.629
311 HD2 PRO 50 HD2 PRO 50 9.812 10.846 15.101
312 HD3 PRO 50 HD1 PRO 50 10.725 10.593 13.600
313 H TRP 51 HN TRP 51 9.823 16.163 13.441
314 HA TRP 51 HA TRP 51 7.688 16.342 15.401
315 HB2 TRP 51 HB2 TRP 51 10.465 17.251 15.898
316 HB3 TRP 51 HB1 TRP 51 9.186 18.369 16.362
317 HD1 TRP 51 HD1 TRP 51 7.060 16.645 17.682
318 HE1 TRP 51 HE1 TRP 51 7.523 15.263 19.802
319 HE3 TRP 51 HE3 TRP 51 12.150 16.302 17.335
320 HZ2 TRP 51 HZ2 TRP 51 9.750 14.171 21.150
321 HZ3 TRP 51 HZ3 TRP 51 13.371 15.072 19.081
322 HH2 TRP 51 HH2 TRP 51 12.195 14.030 20.949
323 H ILE 52 HN ILE 52 6.263 17.870 14.876
324 HA ILE 52 HA ILE 52 5.195 19.264 13.403
325 HB ILE 52 HB ILE 52 6.106 20.639 15.290
326 HG12 ILE 52 HG12 ILE 52 5.550 22.779 14.214
327 HG13 ILE 52 HG11 ILE 52 5.727 22.027 12.631
328 HG21 ILE 52 HG21 ILE 52 8.505 20.469 14.342
329 HG22 ILE 52 HG22 ILE 52 7.984 21.972 15.102
330 HG23 ILE 52 HG23 ILE 52 8.029 21.844 13.344
331 HD11 ILE 52 HD11 ILE 52 3.425 22.188 14.221
332 HD12 ILE 52 HD12 ILE 52 3.913 20.492 14.213
333 HD13 ILE 52 HD13 ILE 52 3.631 21.338 12.690
334 H TRP 53 HN TRP 53 5.316 18.548 11.337
335 HA TRP 53 HA TRP 53 6.879 20.080 9.509
336 HB2 TRP 53 HB2 TRP 53 8.057 17.683 10.481
337 HB3 TRP 53 HB1 TRP 53 7.581 17.393 8.811
338 HD1 TRP 53 HD1 TRP 53 8.760 20.858 9.931
339 HE1 TRP 53 HE1 TRP 53 10.996 21.381 8.768
340 HE3 TRP 53 HE3 TRP 53 9.642 16.304 7.780
341 HZ2 TRP 53 HZ2 TRP 53 12.883 20.041 7.152
342 HZ3 TRP 53 HZ3 TRP 53 11.684 16.008 6.441
343 HH2 TRP 53 HH2 TRP 53 13.270 17.839 6.134
344 H VAL 54 HN VAL 54 5.956 20.116 7.521
345 HA VAL 54 HA VAL 54 3.362 19.043 7.200
346 HB VAL 54 HB VAL 54 5.142 20.093 5.000
347 HG11 VAL 54 HG11 VAL 54 2.240 20.587 5.011
348 HG12 VAL 54 HG12 VAL 54 2.731 18.912 4.761
349 HG13 VAL 54 HG13 VAL 54 3.318 20.174 3.678
350 HG21 VAL 54 HG21 VAL 54 3.514 21.538 7.065
351 HG22 VAL 54 HG22 VAL 54 3.882 22.265 5.502
352 HG23 VAL 54 HG23 VAL 54 5.191 21.807 6.591
Start of MODEL 8
1 H1 SER 5 HT1 SER 5 -12.697 -8.408 0.741
2 H2 SER 5 HT2 SER 5 -11.216 -8.652 -0.093
3 H3 SER 5 HT3 SER 5 -12.533 -9.724 -0.346
4 HA SER 5 HA SER 5 -13.814 -7.837 -1.201
5 HB2 SER 5 HB2 SER 5 -12.496 -6.073 -0.131
6 HB3 SER 5 HB1 SER 5 -11.078 -6.540 -1.068
7 HG SER 5 HG SER 5 -12.008 -4.843 -2.129
8 H GLN 6 HN GLN 6 -13.794 -7.445 -3.508
9 HA GLN 6 HA GLN 6 -12.223 -9.470 -4.915
10 HB2 GLN 6 HB2 GLN 6 -14.777 -8.020 -5.484
11 HB3 GLN 6 HB1 GLN 6 -13.860 -8.692 -6.825
12 HG2 GLN 6 HG2 GLN 6 -14.183 -10.872 -6.126
13 HG3 GLN 6 HG1 GLN 6 -14.533 -10.394 -4.466
14 HE21 GLN 6 HE21 GLN 6 -16.048 -12.103 -6.283
15 HE22 GLN 6 HE22 GLN 6 -17.617 -11.391 -6.412
16 H GLY 7 HN GLY 7 -10.619 -8.986 -6.283
17 HA2 GLY 7 HA2 GLY 7 -10.403 -6.847 -7.999
18 HA3 GLY 7 HA1 GLY 7 -9.699 -6.285 -6.491
19 H GLU 8 HN GLU 8 -8.666 -8.918 -5.765
20 HA GLU 8 HA GLU 8 -6.642 -9.952 -5.871
21 HB2 GLU 8 HB2 GLU 8 -8.154 -10.498 -8.186
22 HB3 GLU 8 HB1 GLU 8 -6.488 -10.311 -8.717
23 HG2 GLU 8 HG2 GLU 8 -7.198 -12.060 -6.394
24 HG3 GLU 8 HG1 GLU 8 -7.304 -12.644 -8.054
25 H CYS 9 HN CYS 9 -6.474 -7.144 -5.928
26 HA CYS 9 HA CYS 9 -4.562 -6.359 -7.932
27 HB2 CYS 9 HB2 CYS 9 -5.485 -4.931 -5.429
28 HB3 CYS 9 HB1 CYS 9 -4.502 -4.217 -6.702
29 HA PRO 10 HA PRO 10 -0.996 -7.915 -5.749
30 HB2 PRO 10 HB2 PRO 10 0.900 -6.491 -7.114
31 HB3 PRO 10 HB1 PRO 10 0.127 -7.949 -7.745
32 HG2 PRO 10 HG2 PRO 10 -0.495 -5.076 -8.310
33 HG3 PRO 10 HG1 PRO 10 -0.407 -6.445 -9.434
34 HD2 PRO 10 HD2 PRO 10 -2.758 -5.489 -8.539
35 HD3 PRO 10 HD1 PRO 10 -2.509 -7.219 -8.855
36 H GLU 11 HN GLU 11 1.308 -6.496 -5.246
37 HA GLU 11 HA GLU 11 0.601 -4.979 -2.984
38 HB2 GLU 11 HB2 GLU 11 3.024 -4.425 -2.880
39 HB3 GLU 11 HB1 GLU 11 2.710 -6.147 -3.043
40 HG2 GLU 11 HG2 GLU 11 3.252 -6.061 -5.395
41 HG3 GLU 11 HG1 GLU 11 3.468 -4.312 -5.305
42 H GLY 12 HN GLY 12 1.719 -2.730 -2.691
43 HA2 GLY 12 HA2 GLY 12 1.461 -0.479 -3.133
44 HA3 GLY 12 HA1 GLY 12 2.075 -0.901 -4.726
45 H ARG 13 HN ARG 13 -0.929 -1.925 -3.207
46 HA ARG 13 HA ARG 13 -2.415 -0.748 -5.454
47 HB2 ARG 13 HB2 ARG 13 -3.949 -2.476 -5.275
48 HB3 ARG 13 HB1 ARG 13 -2.430 -3.273 -4.886
49 HG2 ARG 13 HG2 ARG 13 -3.331 -2.327 -2.449
50 HG3 ARG 13 HG1 ARG 13 -4.793 -2.892 -3.260
51 HD2 ARG 13 HD2 ARG 13 -3.654 -5.053 -3.706
52 HD3 ARG 13 HD1 ARG 13 -2.270 -4.476 -2.780
53 HE ARG 13 HE ARG 13 -4.771 -4.396 -1.350
54 HH11 ARG 13 HH11 ARG 13 -1.981 -6.331 -2.166
55 HH12 ARG 13 HH12 ARG 13 -2.138 -7.363 -0.785
56 HH21 ARG 13 HH21 ARG 13 -4.978 -5.755 0.466
57 HH22 ARG 13 HH22 ARG 13 -3.839 -7.038 0.708
58 H ALA 14 HN ALA 14 -4.843 -0.491 -4.765
59 HA ALA 14 HA ALA 14 -5.456 0.302 -2.142
60 HB1 ALA 14 HB1 ALA 14 -5.919 2.789 -2.965
61 HB2 ALA 14 HB2 ALA 14 -4.507 2.434 -3.965
62 HB3 ALA 14 HB3 ALA 14 -4.398 2.308 -2.207
63 H TYR 15 HN TYR 15 -7.662 1.007 -1.911
64 HA TYR 15 HA TYR 15 -9.293 0.548 -4.324
65 HB2 TYR 15 HB2 TYR 15 -9.466 -1.399 -2.869
66 HB3 TYR 15 HB1 TYR 15 -9.870 -0.372 -1.498
67 HD1 TYR 15 HD2 TYR 15 -11.086 -1.434 -4.849
68 HD2 TYR 15 HD1 TYR 15 -12.100 0.172 -1.043
69 HE1 TYR 15 HE2 TYR 15 -13.474 -1.643 -5.403
70 HE2 TYR 15 HE1 TYR 15 -14.490 -0.031 -1.585
71 HH TYR 15 HH TYR 15 -15.616 -1.794 -4.292
72 H SER 16 HN SER 16 -10.505 2.249 -4.844
73 HA SER 16 HA SER 16 -10.975 4.313 -2.821
74 HB2 SER 16 HB2 SER 16 -11.941 5.106 -5.394
75 HB3 SER 16 HB1 SER 16 -10.570 5.752 -4.490
76 HG SER 16 HG SER 16 -9.564 4.969 -6.200
77 H GLN 17 HN GLN 17 -12.801 4.089 -1.712
78 HA GLN 17 HA GLN 17 -15.029 2.613 -2.598
79 HB2 GLN 17 HB2 GLN 17 -14.309 4.194 -0.248
80 HB3 GLN 17 HB1 GLN 17 -16.021 4.291 -0.639
81 HG2 GLN 17 HG2 GLN 17 -16.329 1.987 -0.375
82 HG3 GLN 17 HG1 GLN 17 -14.597 1.662 -0.442
83 HE21 GLN 17 HE21 GLN 17 -16.563 0.914 1.578
84 HE22 GLN 17 HE22 GLN 17 -15.994 1.575 3.068
85 H ASP 18 HN ASP 18 -14.106 5.929 -2.945
86 HA ASP 18 HA ASP 18 -16.610 7.053 -3.545
87 HB2 ASP 18 HB2 ASP 18 -13.777 7.811 -3.941
88 HB3 ASP 18 HB1 ASP 18 -14.928 8.569 -5.039
89 H LEU 19 HN LEU 19 -14.043 5.918 -5.739
90 HA LEU 19 HA LEU 19 -15.735 6.081 -8.033
91 HB2 LEU 19 HB2 LEU 19 -13.017 4.849 -7.623
92 HB3 LEU 19 HB1 LEU 19 -13.826 4.930 -9.176
93 HG LEU 19 HG LEU 19 -13.907 7.528 -8.556
94 HD11 LEU 19 HD11 LEU 19 -11.588 6.397 -7.019
95 HD12 LEU 19 HD12 LEU 19 -12.850 7.493 -6.458
96 HD13 LEU 19 HD13 LEU 19 -11.622 8.067 -7.586
97 HD21 LEU 19 HD21 LEU 19 -11.280 6.591 -9.556
98 HD22 LEU 19 HD22 LEU 19 -12.383 7.797 -10.219
99 HD23 LEU 19 HD23 LEU 19 -12.718 6.080 -10.441
100 H GLY 20 HN GLY 20 -14.973 3.690 -5.675
101 HA2 GLY 20 HA2 GLY 20 -15.916 1.626 -5.289
102 HA3 GLY 20 HA1 GLY 20 -17.018 1.941 -6.620
103 H LYS 21 HN LYS 21 -13.477 1.546 -6.375
104 HA LYS 21 HA LYS 21 -13.493 -0.941 -7.769
105 HB2 LYS 21 HB2 LYS 21 -12.237 -0.066 -9.783
106 HB3 LYS 21 HB1 LYS 21 -13.953 0.311 -9.730
107 HG2 LYS 21 HG2 LYS 21 -13.553 2.558 -9.172
108 HG3 LYS 21 HG1 LYS 21 -11.867 2.237 -8.759
109 HD2 LYS 21 HD2 LYS 21 -11.860 3.311 -10.875
110 HD3 LYS 21 HD1 LYS 21 -11.514 1.605 -11.172
111 HE2 LYS 21 HE2 LYS 21 -13.497 1.246 -12.224
112 HE3 LYS 21 HE1 LYS 21 -14.355 2.436 -11.247
113 HZ1 LYS 21 HZ1 LYS 21 -12.376 3.208 -13.308
114 HZ2 LYS 21 HZ2 LYS 21 -13.531 4.186 -12.553
115 HZ3 LYS 21 HZ3 LYS 21 -14.018 3.005 -13.661
116 H CYS 22 HN CYS 22 -11.213 -1.602 -8.393
117 HA CYS 22 HA CYS 22 -9.377 -0.601 -6.330
118 HB2 CYS 22 HB2 CYS 22 -9.941 -3.016 -6.260
119 HB3 CYS 22 HB1 CYS 22 -9.264 -3.202 -7.874
120 H MET 23 HN MET 23 -7.181 -0.273 -6.815
121 HA MET 23 HA MET 23 -6.277 -0.261 -9.556
122 HB2 MET 23 HB2 MET 23 -5.622 2.349 -8.685
123 HB3 MET 23 HB1 MET 23 -6.662 1.892 -10.022
124 HG2 MET 23 HG2 MET 23 -7.806 1.910 -7.300
125 HG3 MET 23 HG1 MET 23 -7.442 3.451 -8.064
126 HE1 MET 23 HE1 MET 23 -8.727 4.641 -9.150
127 HE2 MET 23 HE2 MET 23 -10.407 4.316 -8.728
128 HE3 MET 23 HE3 MET 23 -9.890 4.232 -10.411
129 H GLU 24 HN GLU 24 -4.097 1.548 -9.045
130 HA GLU 24 HA GLU 24 -2.624 -0.086 -7.094
131 HB2 GLU 24 HB2 GLU 24 -0.889 -0.292 -8.507
132 HB3 GLU 24 HB1 GLU 24 -2.067 0.108 -9.740
133 HG2 GLU 24 HG2 GLU 24 -1.384 2.481 -9.490
134 HG3 GLU 24 HG1 GLU 24 -0.091 1.930 -8.428
135 H CYS 25 HN CYS 25 -1.783 0.897 -5.379
136 HA CYS 25 HA CYS 25 -2.197 3.591 -4.809
137 HB2 CYS 25 HB2 CYS 25 -1.803 2.211 -2.946
138 HB3 CYS 25 HB1 CYS 25 -0.376 1.485 -3.671
139 H SER 26 HN SER 26 0.326 1.953 -6.523
140 HA SER 26 HA SER 26 2.286 3.965 -6.496
141 HB2 SER 26 HB2 SER 26 1.785 1.494 -7.950
142 HB3 SER 26 HB1 SER 26 2.470 2.734 -9.002
143 HG SER 26 HG SER 26 4.003 1.374 -7.805
144 H VAL 27 HN VAL 27 -0.795 3.729 -8.033
145 HA VAL 27 HA VAL 27 -0.552 5.240 -10.320
146 HB VAL 27 HB VAL 27 -2.759 5.093 -8.291
147 HG11 VAL 27 HG11 VAL 27 -4.065 6.332 -10.243
148 HG12 VAL 27 HG12 VAL 27 -2.485 7.080 -10.479
149 HG13 VAL 27 HG13 VAL 27 -3.299 7.214 -8.921
150 HG21 VAL 27 HG21 VAL 27 -2.065 3.805 -10.801
151 HG22 VAL 27 HG22 VAL 27 -3.719 4.416 -10.790
152 HG23 VAL 27 HG23 VAL 27 -3.185 3.294 -9.539
153 H CYS 28 HN CYS 28 -0.422 6.329 -7.024
154 HA CYS 28 HA CYS 28 0.020 9.063 -7.949
155 HB2 CYS 28 HB2 CYS 28 -0.791 9.866 -5.829
156 HB3 CYS 28 HB1 CYS 28 -1.971 8.743 -6.491
157 H LYS 29 HN LYS 29 1.332 10.329 -6.156
158 HA LYS 29 HA LYS 29 3.509 8.692 -5.104
159 HB2 LYS 29 HB2 LYS 29 3.937 11.034 -6.967
160 HB3 LYS 29 HB1 LYS 29 5.209 10.204 -6.082
161 HG2 LYS 29 HG2 LYS 29 4.776 8.162 -7.298
162 HG3 LYS 29 HG1 LYS 29 3.415 8.918 -8.130
163 HD2 LYS 29 HD2 LYS 29 4.827 10.364 -9.341
164 HD3 LYS 29 HD1 LYS 29 6.204 10.028 -8.291
165 HE2 LYS 29 HE2 LYS 29 6.829 8.591 -9.892
166 HE3 LYS 29 HE1 LYS 29 5.584 7.538 -9.221
167 HZ1 LYS 29 HZ1 LYS 29 5.389 7.780 -11.628
168 HZ2 LYS 29 HZ2 LYS 29 5.180 9.450 -11.458
169 HZ3 LYS 29 HZ3 LYS 29 4.021 8.386 -10.837
170 H ASN 30 HN ASN 30 2.214 11.984 -5.461
171 HA ASN 30 HA ASN 30 3.281 12.651 -2.811
172 HB2 ASN 30 HB2 ASN 30 3.828 14.202 -4.644
173 HB3 ASN 30 HB1 ASN 30 2.111 14.461 -4.937
174 HD21 ASN 30 HD21 ASN 30 4.129 14.343 -2.018
175 HD22 ASN 30 HD22 ASN 30 3.625 15.878 -1.404
176 H SER 31 HN SER 31 0.344 13.602 -4.595
177 HA SER 31 HA SER 31 -1.288 12.707 -2.339
178 HB2 SER 31 HB2 SER 31 -0.898 15.027 -1.806
179 HB3 SER 31 HB1 SER 31 -1.298 15.521 -3.450
180 HG SER 31 HG SER 31 -2.988 14.650 -1.388
181 H GLU 32 HN GLU 32 -1.585 14.484 -5.425
182 HA GLU 32 HA GLU 32 -2.932 14.174 -7.232
183 HB2 GLU 32 HB2 GLU 32 -1.813 11.820 -6.909
184 HB3 GLU 32 HB1 GLU 32 -3.431 11.335 -6.421
185 HG2 GLU 32 HG2 GLU 32 -4.190 11.345 -8.515
186 HG3 GLU 32 HG1 GLU 32 -3.383 12.864 -8.901
187 H LYS 33 HN LYS 33 -5.213 13.266 -7.873
188 HA LYS 33 HA LYS 33 -7.030 14.121 -5.751
189 HB2 LYS 33 HB2 LYS 33 -7.776 13.542 -8.612
190 HB3 LYS 33 HB1 LYS 33 -8.632 14.542 -7.446
191 HG2 LYS 33 HG2 LYS 33 -7.096 16.289 -7.635
192 HG3 LYS 33 HG1 LYS 33 -5.877 15.254 -8.384
193 HD2 LYS 33 HD2 LYS 33 -7.760 14.983 -10.223
194 HD3 LYS 33 HD1 LYS 33 -8.278 16.541 -9.579
195 HE2 LYS 33 HE2 LYS 33 -6.498 17.631 -10.429
196 HE3 LYS 33 HE1 LYS 33 -5.394 16.294 -10.103
197 HZ1 LYS 33 HZ1 LYS 33 -7.358 15.833 -12.193
198 HZ2 LYS 33 HZ2 LYS 33 -5.721 15.416 -12.133
199 HZ3 LYS 33 HZ3 LYS 33 -6.176 16.992 -12.544
200 H SER 34 HN SER 34 -5.882 11.582 -5.426
201 HA SER 34 HA SER 34 -8.178 9.799 -5.909
202 HB2 SER 34 HB2 SER 34 -6.675 7.940 -5.989
203 HB3 SER 34 HB1 SER 34 -6.007 9.185 -7.043
204 HG SER 34 HG SER 34 -5.192 8.541 -4.405
205 H ASP 35 HN ASP 35 -9.306 9.314 -4.158
206 HA ASP 35 HA ASP 35 -8.167 9.760 -1.517
207 HB2 ASP 35 HB2 ASP 35 -10.968 8.930 -2.321
208 HB3 ASP 35 HB1 ASP 35 -10.454 9.394 -0.701
209 H PHE 36 HN PHE 36 -7.644 7.388 -3.467
210 HA PHE 36 HA PHE 36 -8.273 5.214 -1.611
211 HB2 PHE 36 HB2 PHE 36 -8.593 3.859 -3.400
212 HB3 PHE 36 HB1 PHE 36 -8.810 5.376 -4.250
213 HD1 PHE 36 HD2 PHE 36 -6.073 6.340 -4.579
214 HD2 PHE 36 HD1 PHE 36 -7.680 2.419 -4.892
215 HE1 PHE 36 HE2 PHE 36 -4.240 5.709 -6.101
216 HE2 PHE 36 HE1 PHE 36 -5.856 1.780 -6.407
217 HZ PHE 36 HZ PHE 36 -4.141 3.420 -7.010
218 H CYS 37 HN CYS 37 -5.673 7.089 -2.755
219 HA CYS 37 HA CYS 37 -3.624 5.179 -2.450
220 HB2 CYS 37 HB2 CYS 37 -3.639 8.190 -2.272
221 HB3 CYS 37 HB1 CYS 37 -2.168 7.254 -2.024
222 H GLN 38 HN GLN 38 -5.804 6.169 -0.223
223 HA GLN 38 HA GLN 38 -4.031 6.301 2.065
224 HB2 GLN 38 HB2 GLN 38 -6.299 6.106 3.283
225 HB3 GLN 38 HB1 GLN 38 -5.950 7.581 2.397
226 HG2 GLN 38 HG2 GLN 38 -7.613 7.247 0.940
227 HG3 GLN 38 HG1 GLN 38 -7.319 5.511 0.844
228 HE21 GLN 38 HE21 GLN 38 -9.699 7.438 1.392
229 HE22 GLN 38 HE22 GLN 38 -10.519 6.661 2.698
230 H ASN 39 HN ASN 39 -5.639 3.980 0.187
231 HA ASN 39 HA ASN 39 -5.970 1.929 2.114
232 HB2 ASN 39 HB2 ASN 39 -6.774 2.280 -0.466
233 HB3 ASN 39 HB1 ASN 39 -5.497 1.082 -0.656
234 HD21 ASN 39 HD21 ASN 39 -5.891 -0.981 -0.132
235 HD22 ASN 39 HD22 ASN 39 -7.364 -1.556 0.565
236 H CYS 40 HN CYS 40 -3.442 2.754 -0.135
237 HA CYS 40 HA CYS 40 -1.648 0.933 -0.418
238 HB2 CYS 40 HB2 CYS 40 -1.435 3.611 -0.288
239 HB3 CYS 40 HB1 CYS 40 -0.465 3.178 1.115
240 HA PRO 41 HA PRO 41 -0.913 -1.301 3.362
241 HB2 PRO 41 HB2 PRO 41 1.464 -2.463 2.663
242 HB3 PRO 41 HB1 PRO 41 -0.112 -3.046 2.115
243 HG2 PRO 41 HG2 PRO 41 1.866 -1.311 0.689
244 HG3 PRO 41 HG1 PRO 41 0.908 -2.666 0.062
245 HD2 PRO 41 HD2 PRO 41 0.213 -0.106 -0.388
246 HD3 PRO 41 HD1 PRO 41 -1.003 -1.379 -0.152
247 H SER 42 HN SER 42 0.150 -0.948 5.250
248 HA SER 42 HA SER 42 2.196 1.157 5.235
249 HB2 SER 42 HB2 SER 42 1.579 0.933 7.843
250 HB3 SER 42 HB1 SER 42 0.663 1.949 6.732
251 HG SER 42 HG SER 42 -0.017 -0.485 7.900
252 H LYS 43 HN LYS 43 3.903 -0.279 4.639
253 HA LYS 43 HA LYS 43 5.187 -1.467 6.922
254 HB2 LYS 43 HB2 LYS 43 4.215 -3.185 4.641
255 HB3 LYS 43 HB1 LYS 43 5.520 -3.681 5.710
256 HG2 LYS 43 HG2 LYS 43 3.748 -3.129 7.577
257 HG3 LYS 43 HG1 LYS 43 2.614 -3.416 6.256
258 HD2 LYS 43 HD2 LYS 43 2.779 -5.571 6.864
259 HD3 LYS 43 HD1 LYS 43 4.311 -5.531 5.989
260 HE2 LYS 43 HE2 LYS 43 4.318 -4.654 8.824
261 HE3 LYS 43 HE1 LYS 43 4.127 -6.377 8.503
262 HZ1 LYS 43 HZ1 LYS 43 6.402 -6.120 8.656
263 HZ2 LYS 43 HZ2 LYS 43 6.408 -4.621 7.873
264 HZ3 LYS 43 HZ3 LYS 43 6.158 -6.038 6.984
265 H THR 44 HN THR 44 7.273 -2.705 5.998
266 HA THR 44 HA THR 44 8.666 -0.686 4.457
267 HB THR 44 HB THR 44 10.535 -2.602 4.885
268 HG1 THR 44 HG1 THR 44 10.093 -3.774 6.618
269 HG21 THR 44 HG21 THR 44 11.015 -1.460 7.082
270 HG22 THR 44 HG22 THR 44 9.588 -0.472 6.771
271 HG23 THR 44 HG23 THR 44 10.953 -0.425 5.655
272 H GLU 45 HN GLU 45 10.288 -1.502 2.783
273 HA GLU 45 HA GLU 45 9.302 -3.768 1.230
274 HB2 GLU 45 HB2 GLU 45 9.453 -2.296 -0.859
275 HB3 GLU 45 HB1 GLU 45 8.048 -2.086 0.175
276 HG2 GLU 45 HG2 GLU 45 9.132 -0.129 1.205
277 HG3 GLU 45 HG1 GLU 45 10.485 -0.324 0.093
278 H GLN 46 HN GLN 46 10.777 -3.956 -0.837
279 HA GLN 46 HA GLN 46 13.531 -3.818 0.150
280 HB2 GLN 46 HB2 GLN 46 12.256 -5.459 -2.042
281 HB3 GLN 46 HB1 GLN 46 13.986 -5.441 -1.723
282 HG2 GLN 46 HG2 GLN 46 12.372 -5.979 0.645
283 HG3 GLN 46 HG1 GLN 46 12.175 -7.174 -0.636
284 HE21 GLN 46 HE21 GLN 46 13.719 -6.763 2.092
285 HE22 GLN 46 HE22 GLN 46 15.226 -7.542 1.763
286 HA PRO 47 HA PRO 47 14.359 -0.578 -2.785
287 HB2 PRO 47 HB2 PRO 47 17.038 -0.479 -2.548
288 HB3 PRO 47 HB1 PRO 47 15.963 0.091 -1.265
289 HG2 PRO 47 HG2 PRO 47 17.430 -2.509 -1.494
290 HG3 PRO 47 HG1 PRO 47 17.228 -1.459 -0.079
291 HD2 PRO 47 HD2 PRO 47 15.730 -3.700 -0.516
292 HD3 PRO 47 HD1 PRO 47 15.145 -2.296 0.397
293 H ASP 48 HN ASP 48 16.441 -0.302 -4.437
294 HA ASP 48 HA ASP 48 16.640 -2.787 -5.990
295 HB2 ASP 48 HB2 ASP 48 15.519 -0.165 -6.854
296 HB3 ASP 48 HB1 ASP 48 16.483 -1.065 -8.020
297 H PHE 49 HN PHE 49 18.597 -1.757 -4.285
298 HA PHE 49 HA PHE 49 20.776 -1.466 -6.144
299 HB2 PHE 49 HB2 PHE 49 19.908 0.800 -4.378
300 HB3 PHE 49 HB1 PHE 49 21.610 0.598 -4.783
301 HD1 PHE 49 HD2 PHE 49 21.574 -0.237 -7.544
302 HD2 PHE 49 HD1 PHE 49 19.121 2.614 -5.553
303 HE1 PHE 49 HE2 PHE 49 21.206 0.931 -9.678
304 HE2 PHE 49 HE1 PHE 49 18.748 3.787 -7.683
305 HZ PHE 49 HZ PHE 49 19.791 2.946 -9.749
306 HA PRO 50 HA PRO 50 21.716 -3.750 -2.206
307 HB2 PRO 50 HB2 PRO 50 22.725 -5.966 -3.385
308 HB3 PRO 50 HB1 PRO 50 20.993 -5.744 -3.105
309 HG2 PRO 50 HG2 PRO 50 22.576 -5.326 -5.612
310 HG3 PRO 50 HG1 PRO 50 20.995 -6.102 -5.404
311 HD2 PRO 50 HD2 PRO 50 21.280 -3.545 -6.277
312 HD3 PRO 50 HD1 PRO 50 19.878 -4.090 -5.335
313 H TRP 51 HN TRP 51 23.298 -1.926 -2.169
314 HA TRP 51 HA TRP 51 25.430 -1.165 -1.953
315 HB2 TRP 51 HB2 TRP 51 25.549 -3.722 -1.134
316 HB3 TRP 51 HB1 TRP 51 26.654 -3.813 -2.501
317 HD1 TRP 51 HD1 TRP 51 28.722 -1.887 -2.404
318 HE1 TRP 51 HE1 TRP 51 30.082 -1.148 -0.347
319 HE3 TRP 51 HE3 TRP 51 25.527 -3.427 1.278
320 HZ2 TRP 51 HZ2 TRP 51 29.833 -1.211 2.463
321 HZ3 TRP 51 HZ3 TRP 51 26.163 -3.051 3.625
322 HH2 TRP 51 HH2 TRP 51 28.272 -1.965 4.204
323 H ILE 52 HN ILE 52 27.245 -0.508 -3.176
324 HA ILE 52 HA ILE 52 26.875 -0.875 -6.051
325 HB ILE 52 HB ILE 52 28.914 0.978 -4.882
326 HG12 ILE 52 HG12 ILE 52 26.031 1.789 -5.243
327 HG13 ILE 52 HG11 ILE 52 26.669 1.264 -3.687
328 HG21 ILE 52 HG21 ILE 52 27.764 2.304 -6.907
329 HG22 ILE 52 HG22 ILE 52 27.451 0.647 -7.424
330 HG23 ILE 52 HG23 ILE 52 29.105 1.180 -7.125
331 HD11 ILE 52 HD11 ILE 52 27.724 3.194 -3.332
332 HD12 ILE 52 HD12 ILE 52 26.620 3.822 -4.556
333 HD13 ILE 52 HD13 ILE 52 28.253 3.331 -5.009
334 H TRP 53 HN TRP 53 29.040 -0.809 -7.328
335 HA TRP 53 HA TRP 53 30.944 -2.665 -6.065
336 HB2 TRP 53 HB2 TRP 53 29.396 -2.957 -8.515
337 HB3 TRP 53 HB1 TRP 53 31.124 -3.139 -8.801
338 HD1 TRP 53 HD1 TRP 53 28.536 -5.384 -8.547
339 HE1 TRP 53 HE1 TRP 53 29.101 -7.536 -7.253
340 HE3 TRP 53 HE3 TRP 53 32.684 -3.758 -6.038
341 HZ2 TRP 53 HZ2 TRP 53 31.046 -8.426 -5.412
342 HZ3 TRP 53 HZ3 TRP 53 33.838 -5.323 -4.530
343 HH2 TRP 53 HH2 TRP 53 33.034 -7.608 -4.224
344 H VAL 54 HN VAL 54 32.116 -0.697 -5.510
345 HA VAL 54 HA VAL 54 34.014 -0.015 -7.593
346 HB VAL 54 HB VAL 54 32.544 2.202 -6.165
347 HG11 VAL 54 HG11 VAL 54 34.875 2.054 -7.967
348 HG12 VAL 54 HG12 VAL 54 34.482 3.228 -6.711
349 HG13 VAL 54 HG13 VAL 54 33.720 3.345 -8.297
350 HG21 VAL 54 HG21 VAL 54 32.217 1.192 -8.989
351 HG22 VAL 54 HG22 VAL 54 31.535 2.696 -8.370
352 HG23 VAL 54 HG23 VAL 54 31.010 1.150 -7.703
Start of MODEL 9
1 H1 SER 5 HT1 SER 5 -16.288 -3.836 -9.320
2 H2 SER 5 HT2 SER 5 -16.041 -4.874 -7.974
3 H3 SER 5 HT3 SER 5 -17.594 -4.205 -8.273
4 HA SER 5 HA SER 5 -17.227 -6.579 -8.898
5 HB2 SER 5 HB2 SER 5 -18.343 -5.970 -11.244
6 HB3 SER 5 HB1 SER 5 -19.195 -5.714 -9.722
7 HG SER 5 HG SER 5 -18.728 -3.565 -9.821
8 H GLN 6 HN GLN 6 -14.565 -5.462 -9.184
9 HA GLN 6 HA GLN 6 -13.552 -7.148 -11.183
10 HB2 GLN 6 HB2 GLN 6 -12.605 -5.286 -12.662
11 HB3 GLN 6 HB1 GLN 6 -14.304 -5.690 -12.865
12 HG2 GLN 6 HG2 GLN 6 -15.017 -3.748 -11.780
13 HG3 GLN 6 HG1 GLN 6 -13.428 -3.457 -11.072
14 HE21 GLN 6 HE21 GLN 6 -15.294 -3.394 -14.037
15 HE22 GLN 6 HE22 GLN 6 -14.273 -2.285 -14.881
16 H GLY 7 HN GLY 7 -11.880 -7.779 -9.968
17 HA2 GLY 7 HA2 GLY 7 -10.462 -6.043 -8.209
18 HA3 GLY 7 HA1 GLY 7 -10.006 -7.686 -8.632
19 H GLU 8 HN GLU 8 -8.652 -8.043 -10.427
20 HA GLU 8 HA GLU 8 -6.774 -7.605 -11.632
21 HB2 GLU 8 HB2 GLU 8 -8.965 -6.180 -12.679
22 HB3 GLU 8 HB1 GLU 8 -7.580 -5.103 -12.795
23 HG2 GLU 8 HG2 GLU 8 -6.349 -6.746 -14.047
24 HG3 GLU 8 HG1 GLU 8 -7.638 -7.928 -13.826
25 H CYS 9 HN CYS 9 -6.643 -6.674 -8.984
26 HA CYS 9 HA CYS 9 -4.581 -4.655 -9.301
27 HB2 CYS 9 HB2 CYS 9 -5.509 -3.208 -7.515
28 HB3 CYS 9 HB1 CYS 9 -6.552 -3.279 -8.931
29 HA PRO 10 HA PRO 10 -3.290 -7.841 -6.283
30 HB2 PRO 10 HB2 PRO 10 -0.597 -7.074 -7.130
31 HB3 PRO 10 HB1 PRO 10 -1.394 -8.644 -7.240
32 HG2 PRO 10 HG2 PRO 10 -0.851 -7.139 -9.418
33 HG3 PRO 10 HG1 PRO 10 -2.266 -8.204 -9.323
34 HD2 PRO 10 HD2 PRO 10 -2.099 -5.235 -8.949
35 HD3 PRO 10 HD1 PRO 10 -3.323 -6.195 -9.809
36 H GLU 11 HN GLU 11 -0.780 -7.400 -5.068
37 HA GLU 11 HA GLU 11 -1.467 -5.590 -3.030
38 HB2 GLU 11 HB2 GLU 11 0.960 -5.872 -2.344
39 HB3 GLU 11 HB1 GLU 11 0.019 -7.352 -2.465
40 HG2 GLU 11 HG2 GLU 11 1.266 -6.778 -4.981
41 HG3 GLU 11 HG1 GLU 11 2.466 -6.761 -3.690
42 H GLY 12 HN GLY 12 0.480 -3.946 -2.396
43 HA2 GLY 12 HA2 GLY 12 1.196 -1.793 -2.808
44 HA3 GLY 12 HA1 GLY 12 1.804 -2.465 -4.317
45 H ARG 13 HN ARG 13 -1.521 -2.138 -3.191
46 HA ARG 13 HA ARG 13 -2.055 -0.146 -5.286
47 HB2 ARG 13 HB2 ARG 13 -3.070 -1.691 -6.542
48 HB3 ARG 13 HB1 ARG 13 -2.839 -2.908 -5.303
49 HG2 ARG 13 HG2 ARG 13 -4.942 -1.283 -4.414
50 HG3 ARG 13 HG1 ARG 13 -5.227 -1.584 -6.126
51 HD2 ARG 13 HD2 ARG 13 -5.234 -3.926 -5.803
52 HD3 ARG 13 HD1 ARG 13 -4.540 -3.780 -4.192
53 HE ARG 13 HE ARG 13 -7.096 -2.503 -4.453
54 HH11 ARG 13 HH11 ARG 13 -5.468 -5.523 -3.822
55 HH12 ARG 13 HH12 ARG 13 -6.798 -6.201 -2.944
56 HH21 ARG 13 HH21 ARG 13 -8.848 -3.392 -3.298
57 HH22 ARG 13 HH22 ARG 13 -8.718 -4.992 -2.647
58 H ALA 14 HN ALA 14 -4.454 0.582 -5.090
59 HA ALA 14 HA ALA 14 -5.278 0.654 -2.297
60 HB1 ALA 14 HB1 ALA 14 -6.045 3.115 -3.015
61 HB2 ALA 14 HB2 ALA 14 -4.582 2.959 -3.991
62 HB3 ALA 14 HB3 ALA 14 -4.502 2.766 -2.237
63 H TYR 15 HN TYR 15 -7.580 2.013 -2.381
64 HA TYR 15 HA TYR 15 -9.186 1.121 -4.633
65 HB2 TYR 15 HB2 TYR 15 -9.326 -0.848 -3.296
66 HB3 TYR 15 HB1 TYR 15 -9.551 0.086 -1.822
67 HD1 TYR 15 HD1 TYR 15 -11.197 -0.586 -5.106
68 HD2 TYR 15 HD2 TYR 15 -11.696 0.398 -0.997
69 HE1 TYR 15 HE1 TYR 15 -13.635 -0.786 -5.360
70 HE2 TYR 15 HE2 TYR 15 -14.134 0.201 -1.239
71 HH TYR 15 HH TYR 15 -15.768 -0.814 -2.663
72 H SER 16 HN SER 16 -10.328 2.864 -5.177
73 HA SER 16 HA SER 16 -10.990 4.840 -3.136
74 HB2 SER 16 HB2 SER 16 -11.925 5.747 -5.626
75 HB3 SER 16 HB1 SER 16 -10.453 6.249 -4.795
76 HG SER 16 HG SER 16 -10.793 4.490 -6.922
77 H GLN 17 HN GLN 17 -12.810 4.427 -2.057
78 HA GLN 17 HA GLN 17 -14.976 2.938 -3.054
79 HB2 GLN 17 HB2 GLN 17 -14.333 4.400 -0.620
80 HB3 GLN 17 HB1 GLN 17 -16.034 4.536 -1.043
81 HG2 GLN 17 HG2 GLN 17 -15.282 1.827 -1.366
82 HG3 GLN 17 HG1 GLN 17 -14.670 2.378 0.193
83 HE21 GLN 17 HE21 GLN 17 -17.435 1.555 -1.658
84 HE22 GLN 17 HE22 GLN 17 -18.610 1.752 -0.408
85 H ASP 18 HN ASP 18 -14.173 6.306 -3.182
86 HA ASP 18 HA ASP 18 -16.714 7.329 -3.850
87 HB2 ASP 18 HB2 ASP 18 -14.309 8.458 -3.296
88 HB3 ASP 18 HB1 ASP 18 -14.362 8.663 -5.044
89 H LEU 19 HN LEU 19 -13.914 6.630 -5.940
90 HA LEU 19 HA LEU 19 -15.390 6.903 -8.346
91 HB2 LEU 19 HB2 LEU 19 -12.657 6.079 -7.581
92 HB3 LEU 19 HB1 LEU 19 -13.245 5.455 -9.110
93 HG LEU 19 HG LEU 19 -11.941 7.528 -9.373
94 HD11 LEU 19 HD11 LEU 19 -13.217 8.238 -11.090
95 HD12 LEU 19 HD12 LEU 19 -14.655 8.423 -10.087
96 HD13 LEU 19 HD13 LEU 19 -14.189 6.826 -10.673
97 HD21 LEU 19 HD21 LEU 19 -12.983 8.392 -7.099
98 HD22 LEU 19 HD22 LEU 19 -14.146 9.132 -8.198
99 HD23 LEU 19 HD23 LEU 19 -12.429 9.505 -8.349
100 H GLY 20 HN GLY 20 -14.859 4.323 -6.129
101 HA2 GLY 20 HA2 GLY 20 -15.870 2.256 -6.003
102 HA3 GLY 20 HA1 GLY 20 -16.776 2.665 -7.452
103 H LYS 21 HN LYS 21 -13.274 2.361 -6.861
104 HA LYS 21 HA LYS 21 -13.077 -0.090 -8.320
105 HB2 LYS 21 HB2 LYS 21 -11.830 0.729 -10.237
106 HB3 LYS 21 HB1 LYS 21 -13.419 1.481 -10.189
107 HG2 LYS 21 HG2 LYS 21 -12.317 3.456 -9.074
108 HG3 LYS 21 HG1 LYS 21 -10.771 2.707 -9.477
109 HD2 LYS 21 HD2 LYS 21 -12.186 2.615 -11.853
110 HD3 LYS 21 HD1 LYS 21 -12.628 4.179 -11.164
111 HE2 LYS 21 HE2 LYS 21 -10.577 5.035 -11.489
112 HE3 LYS 21 HE1 LYS 21 -9.774 3.550 -10.981
113 HZ1 LYS 21 HZ1 LYS 21 -9.770 4.436 -13.483
114 HZ2 LYS 21 HZ2 LYS 21 -11.138 3.443 -13.543
115 HZ3 LYS 21 HZ3 LYS 21 -9.644 2.797 -13.083
116 H CYS 22 HN CYS 22 -10.922 -0.934 -8.372
117 HA CYS 22 HA CYS 22 -9.192 0.323 -6.356
118 HB2 CYS 22 HB2 CYS 22 -8.291 -1.859 -5.900
119 HB3 CYS 22 HB1 CYS 22 -10.046 -1.981 -5.884
120 H MET 23 HN MET 23 -7.275 1.123 -6.938
121 HA MET 23 HA MET 23 -6.123 0.242 -9.490
122 HB2 MET 23 HB2 MET 23 -6.558 2.315 -10.238
123 HB3 MET 23 HB1 MET 23 -6.955 2.897 -8.630
124 HG2 MET 23 HG2 MET 23 -4.513 3.120 -8.205
125 HG3 MET 23 HG1 MET 23 -4.247 2.761 -9.910
126 HE1 MET 23 HE1 MET 23 -3.645 4.406 -11.314
127 HE2 MET 23 HE2 MET 23 -4.355 6.005 -11.533
128 HE3 MET 23 HE3 MET 23 -5.279 4.565 -11.959
129 H GLU 24 HN GLU 24 -3.714 0.882 -9.582
130 HA GLU 24 HA GLU 24 -2.424 -0.369 -7.411
131 HB2 GLU 24 HB2 GLU 24 -0.379 0.005 -8.594
132 HB3 GLU 24 HB1 GLU 24 -1.618 -0.424 -9.770
133 HG2 GLU 24 HG2 GLU 24 -1.832 2.260 -9.762
134 HG3 GLU 24 HG1 GLU 24 -0.120 2.065 -9.401
135 H CYS 25 HN CYS 25 -0.679 0.442 -6.203
136 HA CYS 25 HA CYS 25 -1.209 3.087 -5.102
137 HB2 CYS 25 HB2 CYS 25 -1.024 1.373 -3.440
138 HB3 CYS 25 HB1 CYS 25 0.454 0.753 -4.158
139 H SER 26 HN SER 26 1.276 1.279 -6.777
140 HA SER 26 HA SER 26 3.451 2.969 -6.499
141 HB2 SER 26 HB2 SER 26 4.343 1.965 -8.465
142 HB3 SER 26 HB1 SER 26 3.348 0.722 -7.707
143 HG SER 26 HG SER 26 1.706 1.209 -9.189
144 H VAL 27 HN VAL 27 0.469 3.468 -8.140
145 HA VAL 27 HA VAL 27 1.317 5.449 -9.981
146 HB VAL 27 HB VAL 27 -0.925 4.073 -9.795
147 HG11 VAL 27 HG11 VAL 27 -1.677 6.655 -8.441
148 HG12 VAL 27 HG12 VAL 27 -1.674 5.054 -7.702
149 HG13 VAL 27 HG13 VAL 27 -2.794 5.419 -9.008
150 HG21 VAL 27 HG21 VAL 27 -0.730 5.154 -11.781
151 HG22 VAL 27 HG22 VAL 27 -0.327 6.697 -11.026
152 HG23 VAL 27 HG23 VAL 27 -2.002 6.145 -11.067
153 H CYS 28 HN CYS 28 -0.040 5.550 -6.767
154 HA CYS 28 HA CYS 28 -0.530 8.182 -6.325
155 HB2 CYS 28 HB2 CYS 28 -0.579 6.115 -4.710
156 HB3 CYS 28 HB1 CYS 28 1.010 6.696 -4.229
157 H LYS 29 HN LYS 29 0.746 9.668 -7.333
158 HA LYS 29 HA LYS 29 3.306 10.217 -6.077
159 HB2 LYS 29 HB2 LYS 29 3.645 8.715 -8.142
160 HB3 LYS 29 HB1 LYS 29 3.184 10.127 -9.082
161 HG2 LYS 29 HG2 LYS 29 5.373 10.570 -9.083
162 HG3 LYS 29 HG1 LYS 29 5.083 11.179 -7.452
163 HD2 LYS 29 HD2 LYS 29 5.487 8.712 -6.742
164 HD3 LYS 29 HD1 LYS 29 6.266 8.571 -8.319
165 HE2 LYS 29 HE2 LYS 29 8.039 9.817 -7.698
166 HE3 LYS 29 HE1 LYS 29 7.056 10.917 -6.732
167 HZ1 LYS 29 HZ1 LYS 29 8.744 9.155 -5.686
168 HZ2 LYS 29 HZ2 LYS 29 7.334 8.220 -5.693
169 HZ3 LYS 29 HZ3 LYS 29 7.361 9.703 -4.880
170 H ASN 30 HN ASN 30 1.317 11.216 -8.868
171 HA ASN 30 HA ASN 30 0.993 13.854 -7.700
172 HB2 ASN 30 HB2 ASN 30 3.136 13.849 -9.088
173 HB3 ASN 30 HB1 ASN 30 2.101 13.636 -10.497
174 HD21 ASN 30 HD21 ASN 30 0.764 15.313 -11.150
175 HD22 ASN 30 HD22 ASN 30 0.974 16.932 -10.585
176 H SER 31 HN SER 31 -1.137 14.099 -7.777
177 HA SER 31 HA SER 31 -2.554 14.264 -10.211
178 HB2 SER 31 HB2 SER 31 -4.028 12.350 -10.041
179 HB3 SER 31 HB1 SER 31 -2.360 11.775 -10.044
180 HG SER 31 HG SER 31 -3.586 10.754 -8.419
181 H GLU 32 HN GLU 32 -5.130 13.906 -9.471
182 HA GLU 32 HA GLU 32 -5.685 16.158 -7.910
183 HB2 GLU 32 HB2 GLU 32 -8.008 15.441 -7.976
184 HB3 GLU 32 HB1 GLU 32 -7.257 15.201 -9.548
185 HG2 GLU 32 HG2 GLU 32 -7.128 12.879 -7.765
186 HG3 GLU 32 HG1 GLU 32 -8.757 13.359 -8.242
187 H LYS 33 HN LYS 33 -7.460 15.764 -6.019
188 HA LYS 33 HA LYS 33 -5.937 14.839 -3.813
189 HB2 LYS 33 HB2 LYS 33 -8.116 15.204 -2.549
190 HB3 LYS 33 HB1 LYS 33 -7.445 16.604 -3.376
191 HG2 LYS 33 HG2 LYS 33 -9.216 15.219 -5.143
192 HG3 LYS 33 HG1 LYS 33 -10.029 15.522 -3.607
193 HD2 LYS 33 HD2 LYS 33 -8.469 17.773 -4.706
194 HD3 LYS 33 HD1 LYS 33 -9.906 17.312 -5.621
195 HE2 LYS 33 HE2 LYS 33 -11.242 18.265 -4.121
196 HE3 LYS 33 HE1 LYS 33 -10.486 17.370 -2.803
197 HZ1 LYS 33 HZ1 LYS 33 -8.625 19.162 -3.157
198 HZ2 LYS 33 HZ2 LYS 33 -9.983 19.492 -2.203
199 HZ3 LYS 33 HZ3 LYS 33 -9.908 20.064 -3.792
200 H SER 34 HN SER 34 -5.534 12.647 -4.686
201 HA SER 34 HA SER 34 -7.486 10.697 -5.038
202 HB2 SER 34 HB2 SER 34 -5.473 9.190 -4.097
203 HB3 SER 34 HB1 SER 34 -5.455 9.891 -5.715
204 HG SER 34 HG SER 34 -3.918 11.222 -5.130
205 H ASP 35 HN ASP 35 -8.661 9.428 -3.709
206 HA ASP 35 HA ASP 35 -8.372 9.905 -0.819
207 HB2 ASP 35 HB2 ASP 35 -10.682 9.770 -2.600
208 HB3 ASP 35 HB1 ASP 35 -10.860 8.741 -1.182
209 H PHE 36 HN PHE 36 -7.728 7.601 -3.131
210 HA PHE 36 HA PHE 36 -8.302 5.367 -1.332
211 HB2 PHE 36 HB2 PHE 36 -8.336 3.958 -3.147
212 HB3 PHE 36 HB1 PHE 36 -8.937 5.442 -3.864
213 HD1 PHE 36 HD2 PHE 36 -6.218 6.835 -4.082
214 HD2 PHE 36 HD1 PHE 36 -7.539 2.914 -5.076
215 HE1 PHE 36 HE2 PHE 36 -4.454 6.677 -5.789
216 HE2 PHE 36 HE1 PHE 36 -5.780 2.748 -6.781
217 HZ PHE 36 HZ PHE 36 -4.233 4.627 -7.140
218 H CYS 37 HN CYS 37 -5.701 7.326 -2.251
219 HA CYS 37 HA CYS 37 -3.610 5.465 -2.132
220 HB2 CYS 37 HB2 CYS 37 -3.784 8.414 -1.602
221 HB3 CYS 37 HB1 CYS 37 -2.292 7.546 -1.257
222 H GLN 38 HN GLN 38 -5.860 6.017 0.180
223 HA GLN 38 HA GLN 38 -4.046 5.712 2.435
224 HB2 GLN 38 HB2 GLN 38 -6.901 5.527 3.005
225 HB3 GLN 38 HB1 GLN 38 -5.695 6.599 3.699
226 HG2 GLN 38 HG2 GLN 38 -5.903 8.030 1.682
227 HG3 GLN 38 HG1 GLN 38 -7.214 6.986 1.135
228 HE21 GLN 38 HE21 GLN 38 -6.796 9.878 2.272
229 HE22 GLN 38 HE22 GLN 38 -8.152 10.055 3.327
230 H ASN 39 HN ASN 39 -5.674 3.846 0.201
231 HA ASN 39 HA ASN 39 -6.255 1.615 1.938
232 HB2 ASN 39 HB2 ASN 39 -7.627 2.024 -0.066
233 HB3 ASN 39 HB1 ASN 39 -6.207 1.775 -1.074
234 HD21 ASN 39 HD21 ASN 39 -8.385 0.223 1.199
235 HD22 ASN 39 HD22 ASN 39 -8.132 -1.388 0.629
236 H CYS 40 HN CYS 40 -3.888 2.517 -0.444
237 HA CYS 40 HA CYS 40 -2.333 0.336 -0.783
238 HB2 CYS 40 HB2 CYS 40 -1.784 2.339 -1.917
239 HB3 CYS 40 HB1 CYS 40 -1.561 3.222 -0.417
240 HA PRO 41 HA PRO 41 0.177 1.076 3.281
241 HB2 PRO 41 HB2 PRO 41 -0.877 2.779 5.122
242 HB3 PRO 41 HB1 PRO 41 0.258 3.294 3.868
243 HG2 PRO 41 HG2 PRO 41 -2.727 3.522 3.931
244 HG3 PRO 41 HG1 PRO 41 -1.523 4.718 3.416
245 HD2 PRO 41 HD2 PRO 41 -2.911 3.221 1.650
246 HD3 PRO 41 HD1 PRO 41 -1.237 3.730 1.352
247 H SER 42 HN SER 42 -3.288 1.643 3.927
248 HA SER 42 HA SER 42 -3.910 -0.940 4.725
249 HB2 SER 42 HB2 SER 42 -2.711 0.740 6.861
250 HB3 SER 42 HB1 SER 42 -4.150 -0.182 7.298
251 HG SER 42 HG SER 42 -2.590 -1.618 7.638
252 H LYS 43 HN LYS 43 -6.080 -1.161 5.331
253 HA LYS 43 HA LYS 43 -7.632 1.322 5.562
254 HB2 LYS 43 HB2 LYS 43 -9.362 0.311 4.063
255 HB3 LYS 43 HB1 LYS 43 -7.854 0.717 3.256
256 HG2 LYS 43 HG2 LYS 43 -7.367 -1.434 2.787
257 HG3 LYS 43 HG1 LYS 43 -8.065 -2.034 4.292
258 HD2 LYS 43 HD2 LYS 43 -9.898 -0.907 2.237
259 HD3 LYS 43 HD1 LYS 43 -9.202 -2.502 1.949
260 HE2 LYS 43 HE2 LYS 43 -10.960 -3.234 3.142
261 HE3 LYS 43 HE1 LYS 43 -9.994 -2.739 4.532
262 HZ1 LYS 43 HZ1 LYS 43 -11.318 -0.981 4.940
263 HZ2 LYS 43 HZ2 LYS 43 -12.471 -1.898 4.110
264 HZ3 LYS 43 HZ3 LYS 43 -11.629 -0.671 3.306
265 H THR 44 HN THR 44 -7.689 0.764 7.818
266 HA THR 44 HA THR 44 -9.957 -0.914 8.450
267 HB THR 44 HB THR 44 -8.562 -2.074 10.287
268 HG1 THR 44 HG1 THR 44 -6.570 -1.424 10.275
269 HG21 THR 44 HG21 THR 44 -7.549 -3.166 7.773
270 HG22 THR 44 HG22 THR 44 -9.297 -2.934 7.825
271 HG23 THR 44 HG23 THR 44 -8.501 -3.927 9.047
272 H GLU 45 HN GLU 45 -10.639 1.307 8.938
273 HA GLU 45 HA GLU 45 -11.176 2.956 10.409
274 HB2 GLU 45 HB2 GLU 45 -10.201 0.786 12.230
275 HB3 GLU 45 HB1 GLU 45 -10.578 2.370 12.895
276 HG2 GLU 45 HG2 GLU 45 -12.658 1.331 11.140
277 HG3 GLU 45 HG1 GLU 45 -12.344 0.310 12.542
278 H GLN 46 HN GLN 46 -10.285 4.716 11.640
279 HA GLN 46 HA GLN 46 -7.684 5.445 10.813
280 HB2 GLN 46 HB2 GLN 46 -9.907 6.709 12.043
281 HB3 GLN 46 HB1 GLN 46 -8.508 7.014 13.064
282 HG2 GLN 46 HG2 GLN 46 -7.531 8.360 11.553
283 HG3 GLN 46 HG1 GLN 46 -8.078 7.398 10.181
284 HE21 GLN 46 HE21 GLN 46 -8.104 10.305 10.648
285 HE22 GLN 46 HE22 GLN 46 -9.749 10.794 10.439
286 HA PRO 47 HA PRO 47 -5.057 3.753 13.918
287 HB2 PRO 47 HB2 PRO 47 -3.251 5.778 14.273
288 HB3 PRO 47 HB1 PRO 47 -3.241 4.688 12.883
289 HG2 PRO 47 HG2 PRO 47 -4.352 7.458 13.112
290 HG3 PRO 47 HG1 PRO 47 -3.422 6.730 11.788
291 HD2 PRO 47 HD2 PRO 47 -6.095 7.006 11.662
292 HD3 PRO 47 HD1 PRO 47 -5.262 5.616 10.937
293 H ASP 48 HN ASP 48 -3.714 4.846 15.973
294 HA ASP 48 HA ASP 48 -3.911 5.528 18.133
295 HB2 ASP 48 HB2 ASP 48 -4.724 7.652 16.655
296 HB3 ASP 48 HB1 ASP 48 -6.168 7.370 17.622
297 H PHE 49 HN PHE 49 -5.347 3.247 17.374
298 HA PHE 49 HA PHE 49 -7.731 3.444 19.097
299 HB2 PHE 49 HB2 PHE 49 -8.683 1.569 17.808
300 HB3 PHE 49 HB1 PHE 49 -8.357 2.965 16.787
301 HD1 PHE 49 HD1 PHE 49 -6.580 2.914 15.138
302 HD2 PHE 49 HD2 PHE 49 -7.425 -0.472 17.573
303 HE1 PHE 49 HE1 PHE 49 -5.247 1.500 13.627
304 HE2 PHE 49 HE2 PHE 49 -6.094 -1.892 16.068
305 HZ PHE 49 HZ PHE 49 -5.002 -0.906 14.093
306 HA PRO 50 HA PRO 50 -5.753 0.484 21.721
307 HB2 PRO 50 HB2 PRO 50 -7.891 -0.492 23.048
308 HB3 PRO 50 HB1 PRO 50 -7.287 1.149 23.311
309 HG2 PRO 50 HG2 PRO 50 -9.595 0.225 21.641
310 HG3 PRO 50 HG1 PRO 50 -9.494 1.613 22.740
311 HD2 PRO 50 HD2 PRO 50 -9.238 1.832 20.038
312 HD3 PRO 50 HD1 PRO 50 -8.437 2.929 21.180
313 H TRP 51 HN TRP 51 -6.170 -1.892 22.494
314 HA TRP 51 HA TRP 51 -6.117 -3.530 20.167
315 HB2 TRP 51 HB2 TRP 51 -6.149 -4.237 23.107
316 HB3 TRP 51 HB1 TRP 51 -5.920 -5.408 21.813
317 HD1 TRP 51 HD1 TRP 51 -3.890 -3.823 24.218
318 HE1 TRP 51 HE1 TRP 51 -1.478 -3.433 23.411
319 HE3 TRP 51 HE3 TRP 51 -4.607 -4.416 19.190
320 HZ2 TRP 51 HZ2 TRP 51 -0.064 -3.383 20.967
321 HZ3 TRP 51 HZ3 TRP 51 -2.673 -4.181 17.687
322 HH2 TRP 51 HH2 TRP 51 -0.449 -3.674 18.559
323 H ILE 52 HN ILE 52 -7.406 -5.768 20.470
324 HA ILE 52 HA ILE 52 -10.211 -4.993 20.317
325 HB ILE 52 HB ILE 52 -9.007 -7.690 19.699
326 HG12 ILE 52 HG12 ILE 52 -7.941 -5.980 18.311
327 HG13 ILE 52 HG11 ILE 52 -9.019 -6.977 17.340
328 HG21 ILE 52 HG21 ILE 52 -11.690 -6.496 19.499
329 HG22 ILE 52 HG22 ILE 52 -11.207 -8.179 19.701
330 HG23 ILE 52 HG23 ILE 52 -11.164 -7.436 18.102
331 HD11 ILE 52 HD11 ILE 52 -10.748 -5.124 17.735
332 HD12 ILE 52 HD12 ILE 52 -9.431 -4.820 16.601
333 HD13 ILE 52 HD13 ILE 52 -9.367 -4.145 18.229
334 H TRP 53 HN TRP 53 -9.488 -4.817 22.881
335 HA TRP 53 HA TRP 53 -10.030 -5.478 24.988
336 HB2 TRP 53 HB2 TRP 53 -12.088 -6.580 23.267
337 HB3 TRP 53 HB1 TRP 53 -11.832 -7.596 24.681
338 HD1 TRP 53 HD1 TRP 53 -11.900 -3.721 24.369
339 HE1 TRP 53 HE1 TRP 53 -13.580 -2.824 26.100
340 HE3 TRP 53 HE3 TRP 53 -13.554 -8.168 26.276
341 HZ2 TRP 53 HZ2 TRP 53 -15.370 -3.864 28.018
342 HZ3 TRP 53 HZ3 TRP 53 -15.251 -8.128 28.057
343 HH2 TRP 53 HH2 TRP 53 -16.140 -6.020 28.910
344 H VAL 54 HN VAL 54 -9.755 -7.198 26.561
345 HA VAL 54 HA VAL 54 -7.591 -8.934 25.851
346 HB VAL 54 HB VAL 54 -9.156 -8.901 28.434
347 HG11 VAL 54 HG11 VAL 54 -7.801 -10.873 28.224
348 HG12 VAL 54 HG12 VAL 54 -7.030 -9.779 29.372
349 HG13 VAL 54 HG13 VAL 54 -6.406 -9.915 27.728
350 HG21 VAL 54 HG21 VAL 54 -6.557 -7.541 28.336
351 HG22 VAL 54 HG22 VAL 54 -8.056 -7.072 29.137
352 HG23 VAL 54 HG23 VAL 54 -7.839 -6.753 27.417
Start of MODEL 10
1 H1 SER 5 HT1 SER 5 -18.203 -6.496 -4.415
2 H2 SER 5 HT2 SER 5 -17.782 -7.237 -2.925
3 H3 SER 5 HT3 SER 5 -19.319 -7.533 -3.631
4 HA SER 5 HA SER 5 -17.590 -9.304 -3.851
5 HB2 SER 5 HB2 SER 5 -18.695 -8.292 -6.466
6 HB3 SER 5 HB1 SER 5 -18.547 -9.958 -5.906
7 HG SER 5 HG SER 5 -20.184 -9.527 -4.390
8 H GLN 6 HN GLN 6 -16.017 -6.829 -3.760
9 HA GLN 6 HA GLN 6 -14.030 -7.577 -5.773
10 HB2 GLN 6 HB2 GLN 6 -15.028 -4.763 -5.311
11 HB3 GLN 6 HB1 GLN 6 -13.579 -5.157 -6.225
12 HG2 GLN 6 HG2 GLN 6 -15.920 -6.623 -7.130
13 HG3 GLN 6 HG1 GLN 6 -16.112 -4.875 -7.242
14 HE21 GLN 6 HE21 GLN 6 -15.584 -4.117 -9.150
15 HE22 GLN 6 HE22 GLN 6 -14.331 -4.710 -10.179
16 H GLY 7 HN GLY 7 -12.230 -8.047 -4.711
17 HA2 GLY 7 HA2 GLY 7 -11.231 -6.223 -2.676
18 HA3 GLY 7 HA1 GLY 7 -11.594 -7.853 -2.126
19 H GLU 8 HN GLU 8 -9.686 -8.817 -1.810
20 HA GLU 8 HA GLU 8 -7.567 -9.566 -2.132
21 HB2 GLU 8 HB2 GLU 8 -9.157 -10.189 -4.373
22 HB3 GLU 8 HB1 GLU 8 -7.576 -9.741 -4.998
23 HG2 GLU 8 HG2 GLU 8 -6.519 -11.397 -3.580
24 HG3 GLU 8 HG1 GLU 8 -8.080 -11.808 -2.870
25 H CYS 9 HN CYS 9 -7.641 -6.846 -1.863
26 HA CYS 9 HA CYS 9 -5.822 -5.813 -3.924
27 HB2 CYS 9 HB2 CYS 9 -7.393 -4.345 -1.796
28 HB3 CYS 9 HB1 CYS 9 -6.331 -3.578 -2.974
29 HA PRO 10 HA PRO 10 -2.851 -6.693 -0.537
30 HB2 PRO 10 HB2 PRO 10 -0.718 -7.058 -2.166
31 HB3 PRO 10 HB1 PRO 10 -1.903 -8.331 -1.847
32 HG2 PRO 10 HG2 PRO 10 -1.696 -6.484 -4.196
33 HG3 PRO 10 HG1 PRO 10 -2.010 -8.229 -4.172
34 HD2 PRO 10 HD2 PRO 10 -3.986 -6.404 -4.468
35 HD3 PRO 10 HD1 PRO 10 -4.234 -7.949 -3.631
36 H GLU 11 HN GLU 11 -0.305 -5.833 -0.704
37 HA GLU 11 HA GLU 11 -0.506 -3.067 -0.247
38 HB2 GLU 11 HB2 GLU 11 1.769 -5.004 -0.462
39 HB3 GLU 11 HB1 GLU 11 2.099 -3.281 -0.360
40 HG2 GLU 11 HG2 GLU 11 0.481 -3.429 1.704
41 HG3 GLU 11 HG1 GLU 11 0.964 -5.124 1.676
42 H GLY 12 HN GLY 12 1.407 -1.676 -1.329
43 HA2 GLY 12 HA2 GLY 12 1.906 -0.401 -3.178
44 HA3 GLY 12 HA1 GLY 12 2.115 -1.947 -3.985
45 H ARG 13 HN ARG 13 -0.889 -0.722 -2.642
46 HA ARG 13 HA ARG 13 -1.991 0.283 -5.054
47 HB2 ARG 13 HB2 ARG 13 -2.627 -1.607 -6.058
48 HB3 ARG 13 HB1 ARG 13 -1.886 -2.534 -4.763
49 HG2 ARG 13 HG2 ARG 13 -4.066 -2.077 -3.483
50 HG3 ARG 13 HG1 ARG 13 -4.715 -1.669 -5.072
51 HD2 ARG 13 HD2 ARG 13 -3.234 -4.231 -4.642
52 HD3 ARG 13 HD1 ARG 13 -4.937 -4.101 -4.216
53 HE ARG 13 HE ARG 13 -5.247 -3.392 -6.620
54 HH11 ARG 13 HH11 ARG 13 -2.659 -5.536 -5.642
55 HH12 ARG 13 HH12 ARG 13 -2.554 -6.303 -7.188
56 HH21 ARG 13 HH21 ARG 13 -5.098 -4.409 -8.645
57 HH22 ARG 13 HH22 ARG 13 -3.933 -5.666 -8.889
58 H ALA 14 HN ALA 14 -4.578 0.205 -4.793
59 HA ALA 14 HA ALA 14 -5.509 0.104 -2.108
60 HB1 ALA 14 HB1 ALA 14 -4.605 2.660 -3.207
61 HB2 ALA 14 HB2 ALA 14 -4.827 2.156 -1.533
62 HB3 ALA 14 HB3 ALA 14 -6.212 2.694 -2.483
63 H TYR 15 HN TYR 15 -7.782 1.112 -1.957
64 HA TYR 15 HA TYR 15 -9.243 0.678 -4.476
65 HB2 TYR 15 HB2 TYR 15 -9.560 -1.287 -3.070
66 HB3 TYR 15 HB1 TYR 15 -10.017 -0.272 -1.708
67 HD1 TYR 15 HD2 TYR 15 -11.100 -1.651 -4.928
68 HD2 TYR 15 HD1 TYR 15 -12.222 0.720 -1.580
69 HE1 TYR 15 HE2 TYR 15 -13.453 -1.797 -5.623
70 HE2 TYR 15 HE1 TYR 15 -14.580 0.580 -2.265
71 HH TYR 15 HH TYR 15 -15.929 -1.355 -3.840
72 H SER 16 HN SER 16 -10.535 2.341 -5.027
73 HA SER 16 HA SER 16 -10.998 4.412 -3.003
74 HB2 SER 16 HB2 SER 16 -11.844 5.299 -5.571
75 HB3 SER 16 HB1 SER 16 -10.452 5.844 -4.633
76 HG SER 16 HG SER 16 -10.595 3.961 -6.699
77 H GLN 17 HN GLN 17 -12.885 4.321 -1.994
78 HA GLN 17 HA GLN 17 -15.103 2.845 -2.894
79 HB2 GLN 17 HB2 GLN 17 -14.539 4.702 -0.659
80 HB3 GLN 17 HB1 GLN 17 -16.232 4.507 -1.095
81 HG2 GLN 17 HG2 GLN 17 -14.764 1.991 -0.871
82 HG3 GLN 17 HG1 GLN 17 -14.850 2.916 0.627
83 HE21 GLN 17 HE21 GLN 17 -16.394 0.687 -1.282
84 HE22 GLN 17 HE22 GLN 17 -17.981 0.796 -0.607
85 H ASP 18 HN ASP 18 -14.101 6.112 -3.412
86 HA ASP 18 HA ASP 18 -16.566 7.230 -4.184
87 HB2 ASP 18 HB2 ASP 18 -14.073 8.231 -3.813
88 HB3 ASP 18 HB1 ASP 18 -14.145 8.208 -5.572
89 H LEU 19 HN LEU 19 -13.881 6.051 -6.207
90 HA LEU 19 HA LEU 19 -15.415 6.119 -8.595
91 HB2 LEU 19 HB2 LEU 19 -12.713 5.795 -7.911
92 HB3 LEU 19 HB1 LEU 19 -13.166 4.322 -8.745
93 HG LEU 19 HG LEU 19 -14.204 6.117 -10.454
94 HD11 LEU 19 HD11 LEU 19 -13.015 7.826 -8.752
95 HD12 LEU 19 HD12 LEU 19 -13.232 8.149 -10.473
96 HD13 LEU 19 HD13 LEU 19 -11.689 7.537 -9.877
97 HD21 LEU 19 HD21 LEU 19 -11.703 5.999 -11.435
98 HD22 LEU 19 HD22 LEU 19 -12.843 4.655 -11.506
99 HD23 LEU 19 HD23 LEU 19 -11.621 4.711 -10.234
100 H GLY 20 HN GLY 20 -14.929 3.807 -6.089
101 HA2 GLY 20 HA2 GLY 20 -16.009 1.816 -5.674
102 HA3 GLY 20 HA1 GLY 20 -16.994 2.116 -7.098
103 H LYS 21 HN LYS 21 -13.504 1.563 -6.576
104 HA LYS 21 HA LYS 21 -13.455 -1.017 -7.678
105 HB2 LYS 21 HB2 LYS 21 -12.530 -0.613 -9.883
106 HB3 LYS 21 HB1 LYS 21 -14.099 0.167 -9.751
107 HG2 LYS 21 HG2 LYS 21 -13.107 1.985 -10.554
108 HG3 LYS 21 HG1 LYS 21 -12.351 2.144 -8.967
109 HD2 LYS 21 HD2 LYS 21 -10.327 1.594 -9.757
110 HD3 LYS 21 HD1 LYS 21 -10.969 0.267 -10.726
111 HE2 LYS 21 HE2 LYS 21 -11.475 3.071 -11.599
112 HE3 LYS 21 HE1 LYS 21 -9.877 2.373 -11.861
113 HZ1 LYS 21 HZ1 LYS 21 -11.416 0.416 -12.781
114 HZ2 LYS 21 HZ2 LYS 21 -10.837 1.671 -13.756
115 HZ3 LYS 21 HZ3 LYS 21 -12.409 1.740 -13.136
116 H CYS 22 HN CYS 22 -11.395 -1.934 -7.591
117 HA CYS 22 HA CYS 22 -9.506 -0.439 -6.012
118 HB2 CYS 22 HB2 CYS 22 -10.134 -3.033 -5.965
119 HB3 CYS 22 HB1 CYS 22 -8.781 -3.111 -7.088
120 H MET 23 HN MET 23 -7.491 0.195 -6.554
121 HA MET 23 HA MET 23 -6.637 -0.128 -9.343
122 HB2 MET 23 HB2 MET 23 -5.751 2.424 -8.501
123 HB3 MET 23 HB1 MET 23 -6.927 2.059 -9.752
124 HG2 MET 23 HG2 MET 23 -8.639 1.999 -7.922
125 HG3 MET 23 HG1 MET 23 -7.388 2.647 -6.873
126 HE1 MET 23 HE1 MET 23 -9.647 4.419 -10.279
127 HE2 MET 23 HE2 MET 23 -8.811 2.866 -10.253
128 HE3 MET 23 HE3 MET 23 -7.974 4.309 -10.826
129 H GLU 24 HN GLU 24 -4.329 1.515 -8.950
130 HA GLU 24 HA GLU 24 -2.806 -0.187 -7.096
131 HB2 GLU 24 HB2 GLU 24 -0.894 0.080 -8.568
132 HB3 GLU 24 HB1 GLU 24 -2.260 -0.588 -9.461
133 HG2 GLU 24 HG2 GLU 24 -2.724 1.579 -10.397
134 HG3 GLU 24 HG1 GLU 24 -1.435 2.282 -9.426
135 H CYS 25 HN CYS 25 -0.824 0.779 -6.261
136 HA CYS 25 HA CYS 25 -1.330 3.461 -5.319
137 HB2 CYS 25 HB2 CYS 25 -0.079 1.303 -4.196
138 HB3 CYS 25 HB1 CYS 25 1.293 2.281 -4.697
139 H SER 26 HN SER 26 0.703 1.865 -7.644
140 HA SER 26 HA SER 26 2.640 3.808 -8.087
141 HB2 SER 26 HB2 SER 26 1.469 1.587 -9.624
142 HB3 SER 26 HB1 SER 26 2.112 2.888 -10.625
143 HG SER 26 HG SER 26 4.092 2.664 -9.520
144 H VAL 27 HN VAL 27 -0.751 3.789 -8.728
145 HA VAL 27 HA VAL 27 -0.779 5.842 -10.702
146 HB VAL 27 HB VAL 27 -2.937 4.810 -8.867
147 HG11 VAL 27 HG11 VAL 27 -2.961 7.082 -10.780
148 HG12 VAL 27 HG12 VAL 27 -3.841 6.866 -9.267
149 HG13 VAL 27 HG13 VAL 27 -4.377 6.032 -10.727
150 HG21 VAL 27 HG21 VAL 27 -3.482 3.352 -10.489
151 HG22 VAL 27 HG22 VAL 27 -1.825 3.619 -11.031
152 HG23 VAL 27 HG23 VAL 27 -3.152 4.506 -11.781
153 H CYS 28 HN CYS 28 -0.755 5.774 -7.236
154 HA CYS 28 HA CYS 28 -1.549 8.454 -6.785
155 HB2 CYS 28 HB2 CYS 28 -0.726 6.202 -5.202
156 HB3 CYS 28 HB1 CYS 28 0.143 7.635 -4.669
157 H LYS 29 HN LYS 29 1.670 6.962 -6.437
158 HA LYS 29 HA LYS 29 3.771 7.787 -6.693
159 HB2 LYS 29 HB2 LYS 29 2.467 8.388 -8.983
160 HB3 LYS 29 HB1 LYS 29 2.931 10.002 -8.463
161 HG2 LYS 29 HG2 LYS 29 5.104 9.664 -8.907
162 HG3 LYS 29 HG1 LYS 29 5.070 7.996 -8.329
163 HD2 LYS 29 HD2 LYS 29 3.536 7.840 -10.581
164 HD3 LYS 29 HD1 LYS 29 4.721 9.065 -11.038
165 HE2 LYS 29 HE2 LYS 29 5.867 7.193 -11.652
166 HE3 LYS 29 HE1 LYS 29 6.397 7.316 -9.974
167 HZ1 LYS 29 HZ1 LYS 29 4.680 5.346 -11.235
168 HZ2 LYS 29 HZ2 LYS 29 4.187 5.855 -9.699
169 HZ3 LYS 29 HZ3 LYS 29 5.726 5.188 -9.913
170 H ASN 30 HN ASN 30 1.787 9.068 -4.760
171 HA ASN 30 HA ASN 30 1.675 10.825 -3.309
172 HB2 ASN 30 HB2 ASN 30 4.141 9.722 -3.159
173 HB3 ASN 30 HB1 ASN 30 4.571 11.386 -3.547
174 HD21 ASN 30 HD21 ASN 30 3.784 13.064 -2.146
175 HD22 ASN 30 HD22 ASN 30 3.490 12.721 -0.478
176 H SER 31 HN SER 31 0.518 12.284 -4.607
177 HA SER 31 HA SER 31 1.872 14.743 -5.123
178 HB2 SER 31 HB2 SER 31 1.529 14.899 -7.506
179 HB3 SER 31 HB1 SER 31 2.431 13.418 -7.180
180 HG SER 31 HG SER 31 0.895 12.474 -8.247
181 H GLU 32 HN GLU 32 -1.032 12.854 -5.935
182 HA GLU 32 HA GLU 32 -2.664 15.246 -5.457
183 HB2 GLU 32 HB2 GLU 32 -4.476 13.995 -6.570
184 HB3 GLU 32 HB1 GLU 32 -3.057 14.158 -7.595
185 HG2 GLU 32 HG2 GLU 32 -2.392 11.871 -7.020
186 HG3 GLU 32 HG1 GLU 32 -3.840 11.712 -6.027
187 H LYS 33 HN LYS 33 -4.576 15.086 -4.157
188 HA LYS 33 HA LYS 33 -4.151 13.496 -1.794
189 HB2 LYS 33 HB2 LYS 33 -6.219 14.656 -0.983
190 HB3 LYS 33 HB1 LYS 33 -4.923 15.739 -1.471
191 HG2 LYS 33 HG2 LYS 33 -6.751 15.128 -3.646
192 HG3 LYS 33 HG1 LYS 33 -7.550 15.884 -2.266
193 HD2 LYS 33 HD2 LYS 33 -5.102 16.947 -3.675
194 HD3 LYS 33 HD1 LYS 33 -6.749 17.544 -3.892
195 HE2 LYS 33 HE2 LYS 33 -6.172 19.018 -2.294
196 HE3 LYS 33 HE1 LYS 33 -6.507 17.678 -1.198
197 HZ1 LYS 33 HZ1 LYS 33 -4.360 17.480 -0.673
198 HZ2 LYS 33 HZ2 LYS 33 -4.179 19.031 -1.324
199 HZ3 LYS 33 HZ3 LYS 33 -3.832 17.673 -2.269
200 H SER 34 HN SER 34 -4.395 11.556 -3.411
201 HA SER 34 HA SER 34 -6.921 10.735 -4.291
202 HB2 SER 34 HB2 SER 34 -4.319 9.689 -4.322
203 HB3 SER 34 HB1 SER 34 -5.290 8.482 -3.479
204 HG SER 34 HG SER 34 -6.783 8.689 -5.303
205 H ASP 35 HN ASP 35 -8.603 9.723 -3.345
206 HA ASP 35 HA ASP 35 -8.718 9.691 -0.474
207 HB2 ASP 35 HB2 ASP 35 -10.641 9.293 -2.704
208 HB3 ASP 35 HB1 ASP 35 -11.043 8.549 -1.159
209 H PHE 36 HN PHE 36 -7.872 7.423 -2.882
210 HA PHE 36 HA PHE 36 -8.444 5.144 -1.142
211 HB2 PHE 36 HB2 PHE 36 -8.414 3.815 -3.016
212 HB3 PHE 36 HB1 PHE 36 -8.863 5.339 -3.764
213 HD1 PHE 36 HD2 PHE 36 -6.261 6.730 -3.832
214 HD2 PHE 36 HD1 PHE 36 -7.268 2.686 -4.644
215 HE1 PHE 36 HE2 PHE 36 -4.295 6.539 -5.299
216 HE2 PHE 36 HE1 PHE 36 -5.302 2.479 -6.104
217 HZ PHE 36 HZ PHE 36 -3.818 4.406 -6.430
218 H CYS 37 HN CYS 37 -5.838 7.175 -1.952
219 HA CYS 37 HA CYS 37 -3.726 5.361 -1.731
220 HB2 CYS 37 HB2 CYS 37 -3.960 8.121 -2.036
221 HB3 CYS 37 HB1 CYS 37 -3.113 7.931 -0.506
222 H GLN 38 HN GLN 38 -6.067 5.909 0.502
223 HA GLN 38 HA GLN 38 -4.360 5.710 2.834
224 HB2 GLN 38 HB2 GLN 38 -6.663 5.352 3.951
225 HB3 GLN 38 HB1 GLN 38 -6.274 6.943 3.320
226 HG2 GLN 38 HG2 GLN 38 -7.899 6.868 1.789
227 HG3 GLN 38 HG1 GLN 38 -7.616 5.166 1.423
228 HE21 GLN 38 HE21 GLN 38 -10.085 6.775 1.960
229 HE22 GLN 38 HE22 GLN 38 -10.915 5.901 3.198
230 H ASN 39 HN ASN 39 -5.862 3.700 0.586
231 HA ASN 39 HA ASN 39 -6.182 1.394 2.243
232 HB2 ASN 39 HB2 ASN 39 -6.845 2.120 -0.405
233 HB3 ASN 39 HB1 ASN 39 -5.801 0.705 -0.518
234 HD21 ASN 39 HD21 ASN 39 -6.446 -1.230 0.501
235 HD22 ASN 39 HD22 ASN 39 -8.107 -1.527 0.873
236 H CYS 40 HN CYS 40 -3.775 2.520 -0.025
237 HA CYS 40 HA CYS 40 -1.979 0.478 -0.172
238 HB2 CYS 40 HB2 CYS 40 -1.469 3.442 0.102
239 HB3 CYS 40 HB1 CYS 40 -0.201 2.286 -0.282
240 HA PRO 41 HA PRO 41 -0.240 -0.086 3.867
241 HB2 PRO 41 HB2 PRO 41 2.242 -0.944 3.324
242 HB3 PRO 41 HB1 PRO 41 0.819 -1.908 2.908
243 HG2 PRO 41 HG2 PRO 41 2.497 -0.155 1.157
244 HG3 PRO 41 HG1 PRO 41 1.828 -1.761 0.819
245 HD2 PRO 41 HD2 PRO 41 0.703 0.582 -0.057
246 HD3 PRO 41 HD1 PRO 41 -0.210 -0.915 0.211
247 H SER 42 HN SER 42 0.323 1.451 5.283
248 HA SER 42 HA SER 42 2.559 3.239 4.597
249 HB2 SER 42 HB2 SER 42 0.277 4.337 4.446
250 HB3 SER 42 HB1 SER 42 0.142 4.101 6.189
251 HG SER 42 HG SER 42 1.925 5.737 4.749
252 H LYS 43 HN LYS 43 4.088 3.498 6.115
253 HA LYS 43 HA LYS 43 5.312 3.116 7.994
254 HB2 LYS 43 HB2 LYS 43 2.576 3.521 9.198
255 HB3 LYS 43 HB1 LYS 43 4.028 3.330 10.174
256 HG2 LYS 43 HG2 LYS 43 4.998 5.304 9.053
257 HG3 LYS 43 HG1 LYS 43 3.483 5.515 8.175
258 HD2 LYS 43 HD2 LYS 43 3.181 5.254 11.082
259 HD3 LYS 43 HD1 LYS 43 4.076 6.684 10.564
260 HE2 LYS 43 HE2 LYS 43 1.433 5.916 9.357
261 HE3 LYS 43 HE1 LYS 43 1.551 6.920 10.801
262 HZ1 LYS 43 HZ1 LYS 43 2.693 8.586 9.605
263 HZ2 LYS 43 HZ2 LYS 43 1.374 8.147 8.643
264 HZ3 LYS 43 HZ3 LYS 43 2.922 7.586 8.259
265 H THR 44 HN THR 44 6.068 1.062 7.749
266 HA THR 44 HA THR 44 5.293 -0.906 9.573
267 HB THR 44 HB THR 44 3.339 -1.384 8.364
268 HG1 THR 44 HG1 THR 44 3.782 -3.419 7.415
269 HG21 THR 44 HG21 THR 44 3.033 -1.432 6.077
270 HG22 THR 44 HG22 THR 44 4.754 -1.636 5.748
271 HG23 THR 44 HG23 THR 44 4.140 -0.076 6.295
272 H GLU 45 HN GLU 45 6.468 -0.704 6.211
273 HA GLU 45 HA GLU 45 8.332 -1.529 5.200
274 HB2 GLU 45 HB2 GLU 45 9.137 -0.080 7.427
275 HB3 GLU 45 HB1 GLU 45 10.043 -1.581 7.559
276 HG2 GLU 45 HG2 GLU 45 10.002 -0.299 4.902
277 HG3 GLU 45 HG1 GLU 45 10.890 0.540 6.174
278 H GLN 46 HN GLN 46 6.544 -3.468 6.173
279 HA GLN 46 HA GLN 46 7.849 -5.531 7.598
280 HB2 GLN 46 HB2 GLN 46 5.297 -5.172 6.209
281 HB3 GLN 46 HB1 GLN 46 5.907 -6.820 6.144
282 HG2 GLN 46 HG2 GLN 46 6.260 -6.439 8.720
283 HG3 GLN 46 HG1 GLN 46 5.016 -5.213 8.478
284 HE21 GLN 46 HE21 GLN 46 3.025 -5.883 8.776
285 HE22 GLN 46 HE22 GLN 46 2.448 -7.500 8.585
286 HA PRO 47 HA PRO 47 8.388 -7.719 3.268
287 HB2 PRO 47 HB2 PRO 47 8.278 -5.941 1.146
288 HB3 PRO 47 HB1 PRO 47 6.965 -7.016 1.637
289 HG2 PRO 47 HG2 PRO 47 7.381 -4.122 2.254
290 HG3 PRO 47 HG1 PRO 47 5.881 -4.983 1.863
291 HD2 PRO 47 HD2 PRO 47 6.483 -4.301 4.385
292 HD3 PRO 47 HD1 PRO 47 5.661 -5.830 4.014
293 H ASP 48 HN ASP 48 10.037 -7.178 1.303
294 HA ASP 48 HA ASP 48 12.058 -5.252 2.043
295 HB2 ASP 48 HB2 ASP 48 12.379 -8.175 2.537
296 HB3 ASP 48 HB1 ASP 48 13.772 -7.286 1.928
297 H PHE 49 HN PHE 49 10.829 -4.928 -0.168
298 HA PHE 49 HA PHE 49 11.320 -6.391 -2.435
299 HB2 PHE 49 HB2 PHE 49 10.839 -3.509 -1.894
300 HB3 PHE 49 HB1 PHE 49 11.430 -3.936 -3.497
301 HD1 PHE 49 HD1 PHE 49 8.718 -4.567 -1.061
302 HD2 PHE 49 HD2 PHE 49 9.998 -4.855 -5.110
303 HE1 PHE 49 HE1 PHE 49 6.432 -5.173 -1.737
304 HE2 PHE 49 HE2 PHE 49 7.714 -5.460 -5.793
305 HZ PHE 49 HZ PHE 49 5.927 -5.620 -4.106
306 HA PRO 50 HA PRO 50 15.863 -6.204 -2.355
307 HB2 PRO 50 HB2 PRO 50 15.466 -7.861 -4.781
308 HB3 PRO 50 HB1 PRO 50 16.463 -8.173 -3.356
309 HG2 PRO 50 HG2 PRO 50 14.186 -9.504 -3.752
310 HG3 PRO 50 HG1 PRO 50 14.684 -9.000 -2.127
311 HD2 PRO 50 HD2 PRO 50 12.638 -7.790 -3.945
312 HD3 PRO 50 HD1 PRO 50 12.587 -8.019 -2.184
313 H TRP 51 HN TRP 51 17.361 -5.084 -3.565
314 HA TRP 51 HA TRP 51 16.293 -3.647 -5.905
315 HB2 TRP 51 HB2 TRP 51 17.824 -2.772 -3.567
316 HB3 TRP 51 HB1 TRP 51 18.508 -2.217 -5.092
317 HD1 TRP 51 HD1 TRP 51 16.423 -0.874 -2.589
318 HE1 TRP 51 HE1 TRP 51 14.697 0.806 -3.499
319 HE3 TRP 51 HE3 TRP 51 16.625 -2.104 -7.548
320 HZ2 TRP 51 HZ2 TRP 51 13.572 1.516 -5.989
321 HZ3 TRP 51 HZ3 TRP 51 15.191 -0.878 -9.127
322 HH2 TRP 51 HH2 TRP 51 13.697 0.895 -8.362
323 H ILE 52 HN ILE 52 17.199 -4.048 -7.806
324 HA ILE 52 HA ILE 52 19.714 -5.552 -7.874
325 HB ILE 52 HB ILE 52 17.813 -5.080 -10.168
326 HG12 ILE 52 HG12 ILE 52 16.608 -6.246 -8.404
327 HG13 ILE 52 HG11 ILE 52 16.973 -7.367 -9.712
328 HG21 ILE 52 HG21 ILE 52 20.361 -5.923 -10.276
329 HG22 ILE 52 HG22 ILE 52 19.112 -6.453 -11.402
330 HG23 ILE 52 HG23 ILE 52 19.543 -7.465 -10.024
331 HD11 ILE 52 HD11 ILE 52 18.223 -7.189 -6.998
332 HD12 ILE 52 HD12 ILE 52 18.999 -8.050 -8.328
333 HD13 ILE 52 HD13 ILE 52 17.409 -8.557 -7.756
334 H TRP 53 HN TRP 53 21.481 -4.355 -8.111
335 HA TRP 53 HA TRP 53 21.580 -1.700 -8.942
336 HB2 TRP 53 HB2 TRP 53 23.969 -1.942 -9.001
337 HB3 TRP 53 HB1 TRP 53 23.364 -2.922 -7.671
338 HD1 TRP 53 HD1 TRP 53 22.819 -5.654 -8.716
339 HE1 TRP 53 HE1 TRP 53 24.568 -7.104 -9.924
340 HE3 TRP 53 HE3 TRP 53 26.030 -1.971 -10.225
341 HZ2 TRP 53 HZ2 TRP 53 26.988 -6.738 -11.331
342 HZ3 TRP 53 HZ3 TRP 53 28.037 -2.607 -11.497
343 HH2 TRP 53 HH2 TRP 53 28.506 -4.941 -12.038
344 H VAL 54 HN VAL 54 21.472 -0.742 -10.862
345 HA VAL 54 HA VAL 54 21.399 -2.402 -13.260
346 HB VAL 54 HB VAL 54 20.856 0.560 -13.049
347 HG11 VAL 54 HG11 VAL 54 19.668 0.253 -15.147
348 HG12 VAL 54 HG12 VAL 54 20.048 -1.470 -15.129
349 HG13 VAL 54 HG13 VAL 54 21.341 -0.285 -15.302
350 HG21 VAL 54 HG21 VAL 54 18.411 -0.384 -13.247
351 HG22 VAL 54 HG22 VAL 54 19.198 -0.231 -11.676
352 HG23 VAL 54 HG23 VAL 54 19.130 -1.800 -12.481
Start of MODEL 11
1 H1 SER 5 HT1 SER 5 -15.943 -12.930 -6.999
2 H2 SER 5 HT2 SER 5 -16.188 -12.768 -5.308
3 H3 SER 5 HT3 SER 5 -14.605 -12.997 -5.929
4 HA SER 5 HA SER 5 -16.291 -10.691 -6.607
5 HB2 SER 5 HB2 SER 5 -14.338 -11.122 -4.342
6 HB3 SER 5 HB1 SER 5 -14.786 -9.515 -4.915
7 HG SER 5 HG SER 5 -16.438 -11.486 -3.738
8 H GLN 6 HN GLN 6 -15.025 -8.958 -7.506
9 HA GLN 6 HA GLN 6 -13.090 -9.863 -9.378
10 HB2 GLN 6 HB2 GLN 6 -14.055 -7.118 -8.591
11 HB3 GLN 6 HB1 GLN 6 -12.828 -7.366 -9.826
12 HG2 GLN 6 HG2 GLN 6 -14.355 -7.846 -11.355
13 HG3 GLN 6 HG1 GLN 6 -15.113 -9.047 -10.311
14 HE21 GLN 6 HE21 GLN 6 -16.681 -8.295 -8.761
15 HE22 GLN 6 HE22 GLN 6 -17.621 -6.887 -9.108
16 H GLY 7 HN GLY 7 -10.972 -8.542 -9.628
17 HA2 GLY 7 HA2 GLY 7 -9.544 -7.334 -7.671
18 HA3 GLY 7 HA1 GLY 7 -9.431 -9.032 -7.234
19 H GLU 8 HN GLU 8 -8.567 -6.606 -9.595
20 HA GLU 8 HA GLU 8 -6.517 -8.446 -10.638
21 HB2 GLU 8 HB2 GLU 8 -8.289 -6.532 -12.143
22 HB3 GLU 8 HB1 GLU 8 -6.763 -7.095 -12.811
23 HG2 GLU 8 HG2 GLU 8 -8.143 -9.379 -11.922
24 HG3 GLU 8 HG1 GLU 8 -9.312 -8.381 -12.785
25 H CYS 9 HN CYS 9 -6.005 -6.811 -8.497
26 HA CYS 9 HA CYS 9 -4.380 -4.653 -9.674
27 HB2 CYS 9 HB2 CYS 9 -5.589 -4.827 -6.906
28 HB3 CYS 9 HB1 CYS 9 -4.526 -3.538 -7.460
29 HA PRO 10 HA PRO 10 -0.890 -6.979 -8.182
30 HB2 PRO 10 HB2 PRO 10 1.033 -5.127 -8.568
31 HB3 PRO 10 HB1 PRO 10 0.260 -5.973 -9.913
32 HG2 PRO 10 HG2 PRO 10 -0.286 -3.234 -8.832
33 HG3 PRO 10 HG1 PRO 10 -0.156 -3.765 -10.519
34 HD2 PRO 10 HD2 PRO 10 -2.538 -3.383 -9.258
35 HD3 PRO 10 HD1 PRO 10 -2.310 -4.563 -10.564
36 H GLU 11 HN GLU 11 1.296 -5.974 -6.873
37 HA GLU 11 HA GLU 11 0.307 -5.634 -4.237
38 HB2 GLU 11 HB2 GLU 11 2.522 -6.750 -5.121
39 HB3 GLU 11 HB1 GLU 11 3.167 -5.124 -4.943
40 HG2 GLU 11 HG2 GLU 11 1.718 -5.817 -2.585
41 HG3 GLU 11 HG1 GLU 11 2.856 -7.108 -2.970
42 H GLY 12 HN GLY 12 1.251 -3.887 -2.805
43 HA2 GLY 12 HA2 GLY 12 1.177 -1.661 -2.214
44 HA3 GLY 12 HA1 GLY 12 2.145 -1.418 -3.661
45 H ARG 13 HN ARG 13 -1.149 -2.635 -3.559
46 HA ARG 13 HA ARG 13 -1.980 -0.406 -5.253
47 HB2 ARG 13 HB2 ARG 13 -3.300 -1.871 -6.307
48 HB3 ARG 13 HB1 ARG 13 -2.421 -3.111 -5.427
49 HG2 ARG 13 HG2 ARG 13 -4.331 -2.327 -3.618
50 HG3 ARG 13 HG1 ARG 13 -5.176 -2.224 -5.162
51 HD2 ARG 13 HD2 ARG 13 -4.140 -4.573 -5.589
52 HD3 ARG 13 HD1 ARG 13 -3.928 -4.602 -3.841
53 HE ARG 13 HE ARG 13 -6.594 -3.919 -4.670
54 HH11 ARG 13 HH11 ARG 13 -4.405 -6.536 -3.939
55 HH12 ARG 13 HH12 ARG 13 -5.672 -7.656 -3.565
56 HH21 ARG 13 HH21 ARG 13 -8.260 -5.391 -4.183
57 HH22 ARG 13 HH22 ARG 13 -7.860 -7.008 -3.706
58 H ALA 14 HN ALA 14 -4.570 -0.098 -4.901
59 HA ALA 14 HA ALA 14 -5.248 0.035 -2.103
60 HB1 ALA 14 HB1 ALA 14 -4.479 2.140 -1.933
61 HB2 ALA 14 HB2 ALA 14 -5.989 2.548 -2.742
62 HB3 ALA 14 HB3 ALA 14 -4.500 2.399 -3.675
63 H TYR 15 HN TYR 15 -7.516 1.490 -2.144
64 HA TYR 15 HA TYR 15 -9.158 0.687 -4.406
65 HB2 TYR 15 HB2 TYR 15 -9.379 -1.287 -3.075
66 HB3 TYR 15 HB1 TYR 15 -9.585 -0.350 -1.600
67 HD1 TYR 15 HD2 TYR 15 -11.219 -1.267 -4.803
68 HD2 TYR 15 HD1 TYR 15 -11.724 0.376 -0.910
69 HE1 TYR 15 HE2 TYR 15 -13.658 -1.356 -5.087
70 HE2 TYR 15 HE1 TYR 15 -14.165 0.293 -1.185
71 HH TYR 15 HH TYR 15 -15.670 -1.412 -3.735
72 H SER 16 HN SER 16 -10.159 2.520 -4.930
73 HA SER 16 HA SER 16 -10.612 4.581 -2.967
74 HB2 SER 16 HB2 SER 16 -11.915 5.290 -5.368
75 HB3 SER 16 HB1 SER 16 -10.344 5.852 -4.793
76 HG SER 16 HG SER 16 -10.934 3.728 -6.556
77 H GLN 17 HN GLN 17 -12.244 4.303 -1.587
78 HA GLN 17 HA GLN 17 -14.587 2.839 -2.173
79 HB2 GLN 17 HB2 GLN 17 -13.616 4.504 0.081
80 HB3 GLN 17 HB1 GLN 17 -15.354 4.276 -0.037
81 HG2 GLN 17 HG2 GLN 17 -15.096 1.885 0.061
82 HG3 GLN 17 HG1 GLN 17 -13.340 2.042 0.033
83 HE21 GLN 17 HE21 GLN 17 -15.913 1.512 1.981
84 HE22 GLN 17 HE22 GLN 17 -15.251 2.023 3.494
85 H ASP 18 HN ASP 18 -13.700 6.181 -2.456
86 HA ASP 18 HA ASP 18 -16.255 7.324 -2.679
87 HB2 ASP 18 HB2 ASP 18 -13.639 8.248 -2.802
88 HB3 ASP 18 HB1 ASP 18 -14.266 8.571 -4.414
89 H LEU 19 HN LEU 19 -13.998 6.309 -5.238
90 HA LEU 19 HA LEU 19 -16.008 6.548 -7.264
91 HB2 LEU 19 HB2 LEU 19 -13.182 5.513 -7.293
92 HB3 LEU 19 HB1 LEU 19 -14.210 5.505 -8.714
93 HG LEU 19 HG LEU 19 -12.765 7.413 -8.829
94 HD11 LEU 19 HD11 LEU 19 -15.205 8.815 -7.964
95 HD12 LEU 19 HD12 LEU 19 -15.433 7.536 -9.157
96 HD13 LEU 19 HD13 LEU 19 -14.339 8.876 -9.500
97 HD21 LEU 19 HD21 LEU 19 -12.629 7.413 -6.188
98 HD22 LEU 19 HD22 LEU 19 -13.878 8.645 -6.366
99 HD23 LEU 19 HD23 LEU 19 -12.306 8.867 -7.133
100 H GLY 20 HN GLY 20 -14.854 4.100 -5.152
101 HA2 GLY 20 HA2 GLY 20 -15.667 1.984 -4.748
102 HA3 GLY 20 HA1 GLY 20 -16.901 2.281 -5.963
103 H LYS 21 HN LYS 21 -13.341 2.167 -6.152
104 HA LYS 21 HA LYS 21 -13.464 -0.257 -7.737
105 HB2 LYS 21 HB2 LYS 21 -12.053 2.061 -9.005
106 HB3 LYS 21 HB1 LYS 21 -12.644 0.581 -9.748
107 HG2 LYS 21 HG2 LYS 21 -14.964 1.397 -9.383
108 HG3 LYS 21 HG1 LYS 21 -14.286 2.921 -8.809
109 HD2 LYS 21 HD2 LYS 21 -13.700 1.743 -11.520
110 HD3 LYS 21 HD1 LYS 21 -14.985 2.914 -11.219
111 HE2 LYS 21 HE2 LYS 21 -13.452 4.598 -10.628
112 HE3 LYS 21 HE1 LYS 21 -12.131 3.445 -10.446
113 HZ1 LYS 21 HZ1 LYS 21 -12.775 3.068 -13.001
114 HZ2 LYS 21 HZ2 LYS 21 -11.605 4.178 -12.490
115 HZ3 LYS 21 HZ3 LYS 21 -13.172 4.706 -12.842
116 H CYS 22 HN CYS 22 -11.039 -0.532 -8.703
117 HA CYS 22 HA CYS 22 -9.221 0.001 -6.448
118 HB2 CYS 22 HB2 CYS 22 -9.845 -2.349 -6.443
119 HB3 CYS 22 HB1 CYS 22 -9.399 -2.499 -8.138
120 H MET 23 HN MET 23 -6.988 0.134 -6.956
121 HA MET 23 HA MET 23 -6.074 0.278 -9.663
122 HB2 MET 23 HB2 MET 23 -5.324 2.826 -8.907
123 HB3 MET 23 HB1 MET 23 -6.607 2.433 -10.034
124 HG2 MET 23 HG2 MET 23 -7.378 2.415 -7.212
125 HG3 MET 23 HG1 MET 23 -6.869 3.975 -7.846
126 HE1 MET 23 HE1 MET 23 -9.384 4.993 -10.377
127 HE2 MET 23 HE2 MET 23 -8.150 3.914 -11.028
128 HE3 MET 23 HE3 MET 23 -7.727 5.090 -9.785
129 H GLU 24 HN GLU 24 -3.818 1.950 -9.126
130 HA GLU 24 HA GLU 24 -2.471 0.289 -7.102
131 HB2 GLU 24 HB2 GLU 24 -0.728 -0.057 -8.476
132 HB3 GLU 24 HB1 GLU 24 -1.862 0.360 -9.744
133 HG2 GLU 24 HG2 GLU 24 -1.057 2.693 -9.591
134 HG3 GLU 24 HG1 GLU 24 0.167 2.136 -8.448
135 H CYS 25 HN CYS 25 -1.647 1.284 -5.402
136 HA CYS 25 HA CYS 25 -1.898 4.023 -4.940
137 HB2 CYS 25 HB2 CYS 25 -1.313 1.956 -3.342
138 HB3 CYS 25 HB1 CYS 25 0.318 2.567 -3.577
139 H SER 26 HN SER 26 0.574 2.162 -6.491
140 HA SER 26 HA SER 26 2.654 4.050 -6.461
141 HB2 SER 26 HB2 SER 26 2.698 2.609 -8.934
142 HB3 SER 26 HB1 SER 26 3.702 2.361 -7.505
143 HG SER 26 HG SER 26 2.516 0.703 -6.956
144 H VAL 27 HN VAL 27 -0.371 3.937 -8.111
145 HA VAL 27 HA VAL 27 0.237 5.459 -10.394
146 HB VAL 27 HB VAL 27 -2.003 4.273 -9.601
147 HG11 VAL 27 HG11 VAL 27 -2.485 5.853 -7.802
148 HG12 VAL 27 HG12 VAL 27 -3.748 5.858 -9.031
149 HG13 VAL 27 HG13 VAL 27 -2.565 7.164 -8.979
150 HG21 VAL 27 HG21 VAL 27 -1.491 6.434 -11.560
151 HG22 VAL 27 HG22 VAL 27 -3.164 5.941 -11.297
152 HG23 VAL 27 HG23 VAL 27 -1.968 4.756 -11.821
153 H CYS 28 HN CYS 28 -0.735 6.423 -7.181
154 HA CYS 28 HA CYS 28 -0.403 9.227 -7.810
155 HB2 CYS 28 HB2 CYS 28 -1.298 9.656 -5.584
156 HB3 CYS 28 HB1 CYS 28 -2.335 8.531 -6.453
157 H LYS 29 HN LYS 29 0.975 10.622 -6.565
158 HA LYS 29 HA LYS 29 3.272 9.227 -5.358
159 HB2 LYS 29 HB2 LYS 29 4.739 10.958 -6.274
160 HB3 LYS 29 HB1 LYS 29 3.872 10.123 -7.555
161 HG2 LYS 29 HG2 LYS 29 2.300 11.984 -7.713
162 HG3 LYS 29 HG1 LYS 29 3.165 12.822 -6.423
163 HD2 LYS 29 HD2 LYS 29 5.222 12.399 -8.045
164 HD3 LYS 29 HD1 LYS 29 3.938 12.372 -9.256
165 HE2 LYS 29 HE2 LYS 29 4.503 14.591 -7.294
166 HE3 LYS 29 HE1 LYS 29 4.847 14.615 -9.022
167 HZ1 LYS 29 HZ1 LYS 29 2.322 14.965 -7.629
168 HZ2 LYS 29 HZ2 LYS 29 2.252 14.060 -9.056
169 HZ3 LYS 29 HZ3 LYS 29 2.859 15.639 -9.084
170 H ASN 30 HN ASN 30 1.391 12.225 -5.456
171 HA ASN 30 HA ASN 30 1.595 12.508 -2.603
172 HB2 ASN 30 HB2 ASN 30 3.374 14.011 -4.369
173 HB3 ASN 30 HB1 ASN 30 2.412 15.053 -3.323
174 HD21 ASN 30 HD21 ASN 30 4.490 15.600 -2.397
175 HD22 ASN 30 HD22 ASN 30 5.163 14.584 -1.172
176 H SER 31 HN SER 31 0.869 14.313 -5.587
177 HA SER 31 HA SER 31 -1.674 15.148 -4.352
178 HB2 SER 31 HB2 SER 31 0.308 16.603 -6.001
179 HB3 SER 31 HB1 SER 31 -1.383 16.903 -6.398
180 HG SER 31 HG SER 31 -1.670 17.330 -4.103
181 H GLU 32 HN GLU 32 -2.839 13.349 -5.047
182 HA GLU 32 HA GLU 32 -3.301 13.236 -7.955
183 HB2 GLU 32 HB2 GLU 32 -2.057 11.253 -6.864
184 HB3 GLU 32 HB1 GLU 32 -3.613 10.847 -6.156
185 HG2 GLU 32 HG2 GLU 32 -3.355 9.549 -8.122
186 HG3 GLU 32 HG1 GLU 32 -4.563 10.787 -8.458
187 H LYS 33 HN LYS 33 -5.443 12.560 -8.599
188 HA LYS 33 HA LYS 33 -7.469 13.613 -6.800
189 HB2 LYS 33 HB2 LYS 33 -7.721 12.629 -9.649
190 HB3 LYS 33 HB1 LYS 33 -8.962 13.479 -8.739
191 HG2 LYS 33 HG2 LYS 33 -7.219 15.359 -8.527
192 HG3 LYS 33 HG1 LYS 33 -6.388 14.529 -9.844
193 HD2 LYS 33 HD2 LYS 33 -7.935 15.137 -11.373
194 HD3 LYS 33 HD1 LYS 33 -9.275 14.955 -10.238
195 HE2 LYS 33 HE2 LYS 33 -8.835 17.303 -11.034
196 HE3 LYS 33 HE1 LYS 33 -8.873 17.086 -9.284
197 HZ1 LYS 33 HZ1 LYS 33 -6.517 17.171 -9.189
198 HZ2 LYS 33 HZ2 LYS 33 -7.014 18.488 -10.126
199 HZ3 LYS 33 HZ3 LYS 33 -6.369 17.116 -10.873
200 H SER 34 HN SER 34 -6.592 11.400 -5.639
201 HA SER 34 HA SER 34 -8.883 9.637 -5.784
202 HB2 SER 34 HB2 SER 34 -6.089 8.713 -6.433
203 HB3 SER 34 HB1 SER 34 -7.332 7.603 -5.857
204 HG SER 34 HG SER 34 -8.626 8.460 -7.665
205 H ASP 35 HN ASP 35 -9.499 9.177 -3.789
206 HA ASP 35 HA ASP 35 -7.634 9.616 -1.582
207 HB2 ASP 35 HB2 ASP 35 -10.623 9.120 -1.565
208 HB3 ASP 35 HB1 ASP 35 -9.644 9.504 -0.153
209 H PHE 36 HN PHE 36 -7.493 7.256 -3.345
210 HA PHE 36 HA PHE 36 -8.237 5.094 -1.530
211 HB2 PHE 36 HB2 PHE 36 -8.322 3.699 -3.355
212 HB3 PHE 36 HB1 PHE 36 -8.705 5.225 -4.130
213 HD1 PHE 36 HD2 PHE 36 -6.232 6.539 -4.582
214 HD2 PHE 36 HD1 PHE 36 -7.101 2.383 -4.722
215 HE1 PHE 36 HE2 PHE 36 -4.324 6.192 -6.099
216 HE2 PHE 36 HE1 PHE 36 -5.198 2.026 -6.227
217 HZ PHE 36 HZ PHE 36 -3.809 3.925 -6.918
218 H CYS 37 HN CYS 37 -5.470 6.814 -2.581
219 HA CYS 37 HA CYS 37 -3.533 4.831 -2.220
220 HB2 CYS 37 HB2 CYS 37 -3.192 7.754 -1.542
221 HB3 CYS 37 HB1 CYS 37 -1.930 6.616 -2.004
222 H GLN 38 HN GLN 38 -5.750 5.744 -0.012
223 HA GLN 38 HA GLN 38 -3.974 5.601 2.292
224 HB2 GLN 38 HB2 GLN 38 -6.860 5.585 2.795
225 HB3 GLN 38 HB1 GLN 38 -5.617 6.637 3.456
226 HG2 GLN 38 HG2 GLN 38 -5.669 7.934 1.350
227 HG3 GLN 38 HG1 GLN 38 -6.999 6.914 0.802
228 HE21 GLN 38 HE21 GLN 38 -7.278 9.638 0.974
229 HE22 GLN 38 HE22 GLN 38 -8.375 10.030 2.249
230 H ASN 39 HN ASN 39 -5.709 3.578 0.251
231 HA ASN 39 HA ASN 39 -6.336 1.565 2.236
232 HB2 ASN 39 HB2 ASN 39 -7.427 2.111 -0.168
233 HB3 ASN 39 HB1 ASN 39 -6.308 0.835 -0.633
234 HD21 ASN 39 HD21 ASN 39 -7.297 -1.033 -0.750
235 HD22 ASN 39 HD22 ASN 39 -8.512 -1.619 0.329
236 H CYS 40 HN CYS 40 -3.936 2.141 -0.218
237 HA CYS 40 HA CYS 40 -2.625 -0.321 -0.175
238 HB2 CYS 40 HB2 CYS 40 -0.853 0.761 -1.332
239 HB3 CYS 40 HB1 CYS 40 -2.334 1.565 -1.837
240 HA PRO 41 HA PRO 41 -0.626 -0.281 3.776
241 HB2 PRO 41 HB2 PRO 41 1.282 -2.144 3.335
242 HB3 PRO 41 HB1 PRO 41 -0.428 -2.560 3.505
243 HG2 PRO 41 HG2 PRO 41 1.205 -2.239 1.016
244 HG3 PRO 41 HG1 PRO 41 0.018 -3.493 1.420
245 HD2 PRO 41 HD2 PRO 41 -0.563 -1.374 -0.174
246 HD3 PRO 41 HD1 PRO 41 -1.771 -2.155 0.867
247 H SER 42 HN SER 42 0.306 1.768 3.874
248 HA SER 42 HA SER 42 2.772 2.330 2.480
249 HB2 SER 42 HB2 SER 42 0.764 3.933 3.333
250 HB3 SER 42 HB1 SER 42 1.902 4.130 4.665
251 HG SER 42 HG SER 42 3.495 4.526 2.908
252 H LYS 43 HN LYS 43 1.765 1.327 5.663
253 HA LYS 43 HA LYS 43 4.590 1.296 6.506
254 HB2 LYS 43 HB2 LYS 43 2.136 2.153 7.910
255 HB3 LYS 43 HB1 LYS 43 3.249 1.180 8.862
256 HG2 LYS 43 HG2 LYS 43 5.038 2.754 8.443
257 HG3 LYS 43 HG1 LYS 43 3.981 3.707 7.398
258 HD2 LYS 43 HD2 LYS 43 2.584 4.309 9.233
259 HD3 LYS 43 HD1 LYS 43 3.387 3.155 10.300
260 HE2 LYS 43 HE2 LYS 43 5.518 4.537 9.756
261 HE3 LYS 43 HE1 LYS 43 4.373 5.783 9.261
262 HZ1 LYS 43 HZ1 LYS 43 3.898 4.543 11.851
263 HZ2 LYS 43 HZ2 LYS 43 3.729 6.158 11.376
264 HZ3 LYS 43 HZ3 LYS 43 5.260 5.539 11.741
265 H THR 44 HN THR 44 4.573 -0.290 8.637
266 HA THR 44 HA THR 44 3.473 -2.838 7.645
267 HB THR 44 HB THR 44 5.424 -3.844 8.987
268 HG1 THR 44 HG1 THR 44 6.020 -1.942 10.077
269 HG21 THR 44 HG21 THR 44 6.265 -2.190 6.627
270 HG22 THR 44 HG22 THR 44 5.346 -3.690 6.489
271 HG23 THR 44 HG23 THR 44 6.960 -3.707 7.198
272 H GLU 45 HN GLU 45 1.557 -2.643 8.843
273 HA GLU 45 HA GLU 45 0.193 -2.994 10.629
274 HB2 GLU 45 HB2 GLU 45 2.233 -4.775 10.936
275 HB3 GLU 45 HB1 GLU 45 2.322 -3.896 12.457
276 HG2 GLU 45 HG2 GLU 45 0.724 -5.223 13.216
277 HG3 GLU 45 HG1 GLU 45 -0.384 -4.414 12.108
278 H GLN 46 HN GLN 46 -0.598 -1.296 11.663
279 HA GLN 46 HA GLN 46 0.895 0.880 12.567
280 HB2 GLN 46 HB2 GLN 46 -1.875 0.088 12.531
281 HB3 GLN 46 HB1 GLN 46 -1.486 0.857 14.063
282 HG2 GLN 46 HG2 GLN 46 -1.880 2.770 13.000
283 HG3 GLN 46 HG1 GLN 46 -0.294 2.532 12.267
284 HE21 GLN 46 HE21 GLN 46 -2.535 3.948 11.168
285 HE22 GLN 46 HE22 GLN 46 -2.962 3.153 9.695
286 HA PRO 47 HA PRO 47 0.360 -0.736 17.092
287 HB2 PRO 47 HB2 PRO 47 -0.488 -3.317 17.374
288 HB3 PRO 47 HB1 PRO 47 -1.577 -1.926 17.378
289 HG2 PRO 47 HG2 PRO 47 -0.922 -3.813 15.149
290 HG3 PRO 47 HG1 PRO 47 -2.494 -3.140 15.624
291 HD2 PRO 47 HD2 PRO 47 -1.083 -2.163 13.540
292 HD3 PRO 47 HD1 PRO 47 -2.090 -1.124 14.566
293 H ASP 48 HN ASP 48 2.651 -0.631 16.615
294 HA ASP 48 HA ASP 48 3.975 -3.119 17.204
295 HB2 ASP 48 HB2 ASP 48 3.661 -2.623 14.544
296 HB3 ASP 48 HB1 ASP 48 5.209 -1.840 14.848
297 H PHE 49 HN PHE 49 3.754 -0.852 18.719
298 HA PHE 49 HA PHE 49 4.883 0.837 19.769
299 HB2 PHE 49 HB2 PHE 49 7.284 0.167 20.330
300 HB3 PHE 49 HB1 PHE 49 6.012 -0.943 20.827
301 HD1 PHE 49 HD1 PHE 49 5.716 -3.080 19.696
302 HD2 PHE 49 HD2 PHE 49 8.877 -0.434 18.643
303 HE1 PHE 49 HE1 PHE 49 6.850 -4.913 18.508
304 HE2 PHE 49 HE2 PHE 49 10.016 -2.261 17.451
305 HZ PHE 49 HZ PHE 49 9.001 -4.504 17.384
306 HA PRO 50 HA PRO 50 6.781 2.500 15.800
307 HB2 PRO 50 HB2 PRO 50 5.009 4.513 15.411
308 HB3 PRO 50 HB1 PRO 50 4.756 2.883 14.779
309 HG2 PRO 50 HG2 PRO 50 3.616 4.159 17.236
310 HG3 PRO 50 HG1 PRO 50 2.809 3.145 16.025
311 HD2 PRO 50 HD2 PRO 50 3.642 2.184 18.419
312 HD3 PRO 50 HD1 PRO 50 3.608 1.190 16.948
313 H TRP 51 HN TRP 51 8.467 3.778 16.187
314 HA TRP 51 HA TRP 51 8.136 6.036 18.038
315 HB2 TRP 51 HB2 TRP 51 9.606 3.878 18.652
316 HB3 TRP 51 HB1 TRP 51 10.809 4.812 17.775
317 HD1 TRP 51 HD1 TRP 51 10.997 7.507 18.760
318 HE1 TRP 51 HE1 TRP 51 11.129 8.226 21.228
319 HE3 TRP 51 HE3 TRP 51 9.045 3.312 20.935
320 HZ2 TRP 51 HZ2 TRP 51 10.490 7.157 23.761
321 HZ3 TRP 51 HZ3 TRP 51 8.840 3.241 23.386
322 HH2 TRP 51 HH2 TRP 51 9.549 5.125 24.768
323 H ILE 52 HN ILE 52 8.121 5.655 15.102
324 HA ILE 52 HA ILE 52 10.432 7.077 14.126
325 HB ILE 52 HB ILE 52 7.892 6.483 12.613
326 HG12 ILE 52 HG12 ILE 52 8.771 4.400 13.530
327 HG13 ILE 52 HG11 ILE 52 9.054 4.461 11.792
328 HG21 ILE 52 HG21 ILE 52 10.643 7.372 11.864
329 HG22 ILE 52 HG22 ILE 52 9.079 7.980 11.320
330 HG23 ILE 52 HG23 ILE 52 9.680 6.433 10.723
331 HD11 ILE 52 HD11 ILE 52 11.360 5.519 12.730
332 HD12 ILE 52 HD12 ILE 52 11.118 3.814 12.353
333 HD13 ILE 52 HD13 ILE 52 10.956 4.382 14.015
334 H TRP 53 HN TRP 53 10.197 8.993 15.443
335 HA TRP 53 HA TRP 53 8.123 10.831 14.439
336 HB2 TRP 53 HB2 TRP 53 9.150 10.305 17.154
337 HB3 TRP 53 HB1 TRP 53 8.966 12.007 16.747
338 HD1 TRP 53 HD1 TRP 53 6.750 8.823 16.403
339 HE1 TRP 53 HE1 TRP 53 4.345 9.472 17.049
340 HE3 TRP 53 HE3 TRP 53 7.483 13.788 17.383
341 HZ2 TRP 53 HZ2 TRP 53 2.944 11.782 17.866
342 HZ3 TRP 53 HZ3 TRP 53 5.558 15.147 18.092
343 HH2 TRP 53 HH2 TRP 53 3.335 14.164 18.327
344 H VAL 54 HN VAL 54 9.529 11.374 12.671
345 HA VAL 54 HA VAL 54 12.056 12.662 13.266
346 HB VAL 54 HB VAL 54 10.649 12.509 10.599
347 HG11 VAL 54 HG11 VAL 54 12.559 14.148 10.978
348 HG12 VAL 54 HG12 VAL 54 12.725 13.025 9.627
349 HG13 VAL 54 HG13 VAL 54 13.597 12.730 11.131
350 HG21 VAL 54 HG21 VAL 54 12.412 10.531 12.003
351 HG22 VAL 54 HG22 VAL 54 12.318 10.588 10.243
352 HG23 VAL 54 HG23 VAL 54 10.869 10.262 11.194
Start of MODEL 12
1 H1 SER 5 HT1 SER 5 -3.649 -7.835 -13.197
2 H2 SER 5 HT2 SER 5 -5.304 -8.204 -12.933
3 H3 SER 5 HT3 SER 5 -4.237 -9.411 -13.525
4 HA SER 5 HA SER 5 -3.065 -9.482 -11.520
5 HB2 SER 5 HB2 SER 5 -4.924 -7.405 -10.380
6 HB3 SER 5 HB1 SER 5 -3.357 -7.937 -9.771
7 HG SER 5 HG SER 5 -2.424 -6.936 -11.639
8 H GLN 6 HN GLN 6 -4.058 -11.508 -11.624
9 HA GLN 6 HA GLN 6 -6.798 -11.940 -11.017
10 HB2 GLN 6 HB2 GLN 6 -4.495 -13.895 -10.893
11 HB3 GLN 6 HB1 GLN 6 -6.203 -14.312 -10.924
12 HG2 GLN 6 HG2 GLN 6 -6.215 -14.281 -13.132
13 HG3 GLN 6 HG1 GLN 6 -5.609 -12.625 -13.149
14 HE21 GLN 6 HE21 GLN 6 -4.209 -15.741 -12.183
15 HE22 GLN 6 HE22 GLN 6 -2.810 -15.618 -13.188
16 H GLY 7 HN GLY 7 -7.794 -12.011 -9.111
17 HA2 GLY 7 HA2 GLY 7 -7.654 -13.076 -6.836
18 HA3 GLY 7 HA1 GLY 7 -6.114 -12.243 -6.690
19 H GLU 8 HN GLU 8 -6.211 -10.497 -5.463
20 HA GLU 8 HA GLU 8 -8.519 -8.711 -5.703
21 HB2 GLU 8 HB2 GLU 8 -7.501 -9.960 -3.162
22 HB3 GLU 8 HB1 GLU 8 -8.391 -8.443 -3.149
23 HG2 GLU 8 HG2 GLU 8 -10.265 -9.581 -4.289
24 HG3 GLU 8 HG1 GLU 8 -9.377 -11.098 -4.164
25 H CYS 9 HN CYS 9 -6.158 -8.207 -6.910
26 HA CYS 9 HA CYS 9 -4.571 -6.604 -7.171
27 HB2 CYS 9 HB2 CYS 9 -5.805 -5.221 -4.787
28 HB3 CYS 9 HB1 CYS 9 -4.879 -4.488 -6.093
29 HA PRO 10 HA PRO 10 -1.566 -8.193 -4.228
30 HB2 PRO 10 HB2 PRO 10 0.649 -7.355 -5.543
31 HB3 PRO 10 HB1 PRO 10 -0.294 -8.754 -6.068
32 HG2 PRO 10 HG2 PRO 10 -0.334 -5.946 -7.104
33 HG3 PRO 10 HG1 PRO 10 -0.345 -7.472 -8.008
34 HD2 PRO 10 HD2 PRO 10 -2.588 -6.013 -7.551
35 HD3 PRO 10 HD1 PRO 10 -2.604 -7.782 -7.698
36 H GLU 11 HN GLU 11 0.822 -6.939 -3.682
37 HA GLU 11 HA GLU 11 0.079 -4.945 -1.863
38 HB2 GLU 11 HB2 GLU 11 2.247 -6.471 -2.081
39 HB3 GLU 11 HB1 GLU 11 2.881 -5.041 -2.884
40 HG2 GLU 11 HG2 GLU 11 2.885 -3.796 -0.981
41 HG3 GLU 11 HG1 GLU 11 1.529 -4.671 -0.272
42 H GLY 12 HN GLY 12 1.396 -2.776 -1.885
43 HA2 GLY 12 HA2 GLY 12 1.392 -0.637 -2.746
44 HA3 GLY 12 HA1 GLY 12 2.036 -1.400 -4.194
45 H ARG 13 HN ARG 13 -1.130 -1.844 -2.710
46 HA ARG 13 HA ARG 13 -2.366 -0.805 -5.176
47 HB2 ARG 13 HB2 ARG 13 -3.840 -2.531 -5.209
48 HB3 ARG 13 HB1 ARG 13 -2.502 -3.334 -4.396
49 HG2 ARG 13 HG2 ARG 13 -3.779 -2.230 -2.293
50 HG3 ARG 13 HG1 ARG 13 -5.133 -2.544 -3.377
51 HD2 ARG 13 HD2 ARG 13 -5.055 -4.556 -2.306
52 HD3 ARG 13 HD1 ARG 13 -3.918 -4.889 -3.611
53 HE ARG 13 HE ARG 13 -2.283 -3.965 -1.721
54 HH11 ARG 13 HH11 ARG 13 -4.856 -6.321 -1.543
55 HH12 ARG 13 HH12 ARG 13 -4.124 -7.202 -0.247
56 HH21 ARG 13 HH21 ARG 13 -1.322 -5.126 -0.019
57 HH22 ARG 13 HH22 ARG 13 -2.119 -6.525 0.621
58 H ALA 14 HN ALA 14 -4.880 -0.609 -4.614
59 HA ALA 14 HA ALA 14 -5.780 0.252 -2.154
60 HB1 ALA 14 HB1 ALA 14 -5.977 2.803 -2.979
61 HB2 ALA 14 HB2 ALA 14 -4.402 2.381 -3.664
62 HB3 ALA 14 HB3 ALA 14 -4.683 2.211 -1.930
63 H TYR 15 HN TYR 15 -7.955 0.953 -2.210
64 HA TYR 15 HA TYR 15 -9.221 0.742 -4.859
65 HB2 TYR 15 HB2 TYR 15 -9.695 -1.260 -3.553
66 HB3 TYR 15 HB1 TYR 15 -10.238 -0.279 -2.196
67 HD1 TYR 15 HD1 TYR 15 -11.067 -1.418 -5.601
68 HD2 TYR 15 HD2 TYR 15 -12.442 0.662 -2.154
69 HE1 TYR 15 HE1 TYR 15 -13.362 -1.484 -6.484
70 HE2 TYR 15 HE2 TYR 15 -14.740 0.602 -3.026
71 HH TYR 15 HH TYR 15 -15.877 -1.325 -5.080
72 H SER 16 HN SER 16 -10.474 2.407 -5.442
73 HA SER 16 HA SER 16 -10.987 4.476 -3.431
74 HB2 SER 16 HB2 SER 16 -11.741 5.419 -5.987
75 HB3 SER 16 HB1 SER 16 -10.317 5.871 -5.049
76 HG SER 16 HG SER 16 -10.569 3.951 -7.091
77 H GLN 17 HN GLN 17 -12.837 3.955 -2.405
78 HA GLN 17 HA GLN 17 -15.053 2.663 -3.466
79 HB2 GLN 17 HB2 GLN 17 -14.797 4.593 -1.168
80 HB3 GLN 17 HB1 GLN 17 -16.307 3.779 -1.554
81 HG2 GLN 17 HG2 GLN 17 -15.642 1.866 -0.629
82 HG3 GLN 17 HG1 GLN 17 -14.043 1.960 -1.365
83 HE21 GLN 17 HE21 GLN 17 -13.649 1.003 0.871
84 HE22 GLN 17 HE22 GLN 17 -13.251 2.128 2.120
85 H ASP 18 HN ASP 18 -14.044 5.932 -3.825
86 HA ASP 18 HA ASP 18 -16.502 7.157 -4.407
87 HB2 ASP 18 HB2 ASP 18 -13.665 7.772 -5.218
88 HB3 ASP 18 HB1 ASP 18 -15.015 8.760 -5.769
89 H LEU 19 HN LEU 19 -14.031 5.877 -6.633
90 HA LEU 19 HA LEU 19 -15.826 6.044 -8.864
91 HB2 LEU 19 HB2 LEU 19 -13.142 4.689 -8.775
92 HB3 LEU 19 HB1 LEU 19 -14.003 5.249 -10.196
93 HG LEU 19 HG LEU 19 -13.731 7.560 -8.731
94 HD11 LEU 19 HD11 LEU 19 -11.089 7.355 -8.440
95 HD12 LEU 19 HD12 LEU 19 -11.538 5.693 -8.056
96 HD13 LEU 19 HD13 LEU 19 -12.221 7.027 -7.128
97 HD21 LEU 19 HD21 LEU 19 -12.414 6.334 -11.074
98 HD22 LEU 19 HD22 LEU 19 -11.619 7.739 -10.367
99 HD23 LEU 19 HD23 LEU 19 -13.286 7.860 -10.929
100 H GLY 20 HN GLY 20 -14.880 3.683 -6.548
101 HA2 GLY 20 HA2 GLY 20 -15.791 1.606 -6.118
102 HA3 GLY 20 HA1 GLY 20 -16.878 1.851 -7.476
103 H LYS 21 HN LYS 21 -13.332 1.612 -7.159
104 HA LYS 21 HA LYS 21 -13.238 -0.894 -8.538
105 HB2 LYS 21 HB2 LYS 21 -12.019 -0.098 -10.524
106 HB3 LYS 21 HB1 LYS 21 -13.657 0.534 -10.465
107 HG2 LYS 21 HG2 LYS 21 -12.973 2.671 -10.219
108 HG3 LYS 21 HG1 LYS 21 -11.564 2.224 -9.256
109 HD2 LYS 21 HD2 LYS 21 -10.744 3.075 -11.317
110 HD3 LYS 21 HD1 LYS 21 -10.539 1.324 -11.372
111 HE2 LYS 21 HE2 LYS 21 -13.054 1.680 -12.421
112 HE3 LYS 21 HE1 LYS 21 -12.173 3.075 -13.039
113 HZ1 LYS 21 HZ1 LYS 21 -10.871 0.466 -13.219
114 HZ2 LYS 21 HZ2 LYS 21 -10.805 1.780 -14.279
115 HZ3 LYS 21 HZ3 LYS 21 -12.159 0.766 -14.274
116 H CYS 22 HN CYS 22 -11.140 -1.807 -8.567
117 HA CYS 22 HA CYS 22 -9.374 -0.627 -6.578
118 HB2 CYS 22 HB2 CYS 22 -9.958 -3.020 -6.407
119 HB3 CYS 22 HB1 CYS 22 -9.213 -3.309 -7.975
120 H MET 23 HN MET 23 -7.147 -0.344 -6.902
121 HA MET 23 HA MET 23 -6.054 -0.460 -9.578
122 HB2 MET 23 HB2 MET 23 -5.291 2.090 -9.010
123 HB3 MET 23 HB1 MET 23 -6.642 1.672 -10.045
124 HG2 MET 23 HG2 MET 23 -7.282 1.833 -7.197
125 HG3 MET 23 HG1 MET 23 -6.747 3.343 -7.926
126 HE1 MET 23 HE1 MET 23 -7.871 4.648 -9.617
127 HE2 MET 23 HE2 MET 23 -9.418 4.309 -10.394
128 HE3 MET 23 HE3 MET 23 -7.968 3.436 -10.895
129 H GLU 24 HN GLU 24 -3.785 1.160 -9.071
130 HA GLU 24 HA GLU 24 -2.562 -0.387 -6.886
131 HB2 GLU 24 HB2 GLU 24 -0.645 -0.686 -8.093
132 HB3 GLU 24 HB1 GLU 24 -1.820 -0.674 -9.396
133 HG2 GLU 24 HG2 GLU 24 -1.299 1.743 -9.697
134 HG3 GLU 24 HG1 GLU 24 -0.004 1.537 -8.522
135 H CYS 25 HN CYS 25 -1.462 0.632 -5.312
136 HA CYS 25 HA CYS 25 -1.746 3.365 -4.867
137 HB2 CYS 25 HB2 CYS 25 -0.629 1.170 -3.494
138 HB3 CYS 25 HB1 CYS 25 0.661 2.360 -3.619
139 H SER 26 HN SER 26 0.641 1.521 -6.600
140 HA SER 26 HA SER 26 2.689 3.376 -6.844
141 HB2 SER 26 HB2 SER 26 2.110 0.911 -7.979
142 HB3 SER 26 HB1 SER 26 2.092 2.004 -9.363
143 HG SER 26 HG SER 26 4.193 0.989 -8.194
144 H VAL 27 HN VAL 27 -0.529 3.296 -8.175
145 HA VAL 27 HA VAL 27 -0.246 5.077 -10.324
146 HB VAL 27 HB VAL 27 -2.557 4.590 -8.455
147 HG11 VAL 27 HG11 VAL 27 -3.168 6.710 -9.036
148 HG12 VAL 27 HG12 VAL 27 -3.818 5.831 -10.421
149 HG13 VAL 27 HG13 VAL 27 -2.272 6.672 -10.553
150 HG21 VAL 27 HG21 VAL 27 -2.930 2.878 -9.818
151 HG22 VAL 27 HG22 VAL 27 -1.569 3.351 -10.834
152 HG23 VAL 27 HG23 VAL 27 -3.172 4.014 -11.144
153 H CYS 28 HN CYS 28 -0.286 5.640 -6.905
154 HA CYS 28 HA CYS 28 -0.715 8.448 -6.997
155 HB2 CYS 28 HB2 CYS 28 0.275 6.549 -4.891
156 HB3 CYS 28 HB1 CYS 28 0.333 8.286 -4.626
157 H LYS 29 HN LYS 29 0.678 9.706 -8.100
158 HA LYS 29 HA LYS 29 3.211 10.307 -7.160
159 HB2 LYS 29 HB2 LYS 29 3.241 7.891 -8.618
160 HB3 LYS 29 HB1 LYS 29 3.977 9.103 -9.659
161 HG2 LYS 29 HG2 LYS 29 5.456 9.713 -7.717
162 HG3 LYS 29 HG1 LYS 29 4.832 8.279 -6.898
163 HD2 LYS 29 HD2 LYS 29 5.524 7.186 -9.248
164 HD3 LYS 29 HD1 LYS 29 6.690 8.509 -9.187
165 HE2 LYS 29 HE2 LYS 29 7.133 7.678 -6.775
166 HE3 LYS 29 HE1 LYS 29 6.353 6.193 -7.318
167 HZ1 LYS 29 HZ1 LYS 29 8.006 6.249 -9.212
168 HZ2 LYS 29 HZ2 LYS 29 8.629 5.882 -7.684
169 HZ3 LYS 29 HZ3 LYS 29 8.843 7.428 -8.333
170 H ASN 30 HN ASN 30 1.156 10.069 -10.010
171 HA ASN 30 HA ASN 30 2.381 12.408 -11.217
172 HB2 ASN 30 HB2 ASN 30 1.213 10.218 -12.311
173 HB3 ASN 30 HB1 ASN 30 -0.133 11.352 -12.357
174 HD21 ASN 30 HD21 ASN 30 -0.086 11.439 -14.599
175 HD22 ASN 30 HD22 ASN 30 1.147 12.289 -15.459
176 H SER 31 HN SER 31 -1.039 11.594 -10.608
177 HA SER 31 HA SER 31 -1.592 14.426 -10.189
178 HB2 SER 31 HB2 SER 31 -3.976 13.725 -10.262
179 HB3 SER 31 HB1 SER 31 -3.081 13.241 -11.703
180 HG SER 31 HG SER 31 -4.519 11.675 -10.327
181 H GLU 32 HN GLU 32 -3.006 15.087 -8.403
182 HA GLU 32 HA GLU 32 -2.394 13.558 -5.964
183 HB2 GLU 32 HB2 GLU 32 -1.674 16.104 -6.477
184 HB3 GLU 32 HB1 GLU 32 -3.251 16.388 -5.750
185 HG2 GLU 32 HG2 GLU 32 -2.075 16.403 -3.844
186 HG3 GLU 32 HG1 GLU 32 -2.229 14.651 -3.975
187 H LYS 33 HN LYS 33 -4.182 14.929 -4.260
188 HA LYS 33 HA LYS 33 -6.308 14.779 -3.470
189 HB2 LYS 33 HB2 LYS 33 -7.026 14.991 -6.401
190 HB3 LYS 33 HB1 LYS 33 -8.146 15.203 -5.062
191 HG2 LYS 33 HG2 LYS 33 -6.789 17.122 -4.287
192 HG3 LYS 33 HG1 LYS 33 -5.780 16.942 -5.724
193 HD2 LYS 33 HD2 LYS 33 -8.174 17.034 -6.904
194 HD3 LYS 33 HD1 LYS 33 -8.546 17.969 -5.455
195 HE2 LYS 33 HE2 LYS 33 -6.238 19.131 -6.114
196 HE3 LYS 33 HE1 LYS 33 -6.740 18.599 -7.719
197 HZ1 LYS 33 HZ1 LYS 33 -7.474 20.908 -6.755
198 HZ2 LYS 33 HZ2 LYS 33 -8.704 19.985 -6.048
199 HZ3 LYS 33 HZ3 LYS 33 -8.517 19.997 -7.729
200 H SER 34 HN SER 34 -4.889 12.390 -3.919
201 HA SER 34 HA SER 34 -6.599 10.452 -5.160
202 HB2 SER 34 HB2 SER 34 -4.997 8.802 -4.165
203 HB3 SER 34 HB1 SER 34 -4.220 10.044 -5.146
204 HG SER 34 HG SER 34 -4.494 10.287 -2.342
205 H ASP 35 HN ASP 35 -8.370 9.613 -4.312
206 HA ASP 35 HA ASP 35 -8.820 9.803 -1.430
207 HB2 ASP 35 HB2 ASP 35 -10.543 9.649 -3.826
208 HB3 ASP 35 HB1 ASP 35 -11.138 8.788 -2.411
209 H PHE 36 HN PHE 36 -7.627 7.594 -3.611
210 HA PHE 36 HA PHE 36 -8.583 5.280 -2.087
211 HB2 PHE 36 HB2 PHE 36 -8.661 4.140 -4.030
212 HB3 PHE 36 HB1 PHE 36 -8.499 5.706 -4.809
213 HD1 PHE 36 HD2 PHE 36 -5.739 6.413 -4.500
214 HD2 PHE 36 HD1 PHE 36 -7.486 2.608 -5.202
215 HE1 PHE 36 HE2 PHE 36 -3.638 5.645 -5.526
216 HE2 PHE 36 HE1 PHE 36 -5.390 1.826 -6.225
217 HZ PHE 36 HZ PHE 36 -3.471 3.345 -6.380
218 H CYS 37 HN CYS 37 -5.827 7.212 -2.601
219 HA CYS 37 HA CYS 37 -3.880 5.250 -2.005
220 HB2 CYS 37 HB2 CYS 37 -3.863 7.984 -2.632
221 HB3 CYS 37 HB1 CYS 37 -3.151 7.881 -1.027
222 H GLN 38 HN GLN 38 -6.421 6.211 -0.205
223 HA GLN 38 HA GLN 38 -5.090 6.276 2.375
224 HB2 GLN 38 HB2 GLN 38 -7.526 6.163 3.175
225 HB3 GLN 38 HB1 GLN 38 -7.004 7.621 2.346
226 HG2 GLN 38 HG2 GLN 38 -8.472 7.337 0.706
227 HG3 GLN 38 HG1 GLN 38 -8.093 5.623 0.544
228 HE21 GLN 38 HE21 GLN 38 -10.625 7.365 0.769
229 HE22 GLN 38 HE22 GLN 38 -11.598 6.497 1.901
230 H ASN 39 HN ASN 39 -6.360 4.031 0.194
231 HA ASN 39 HA ASN 39 -7.111 1.979 2.005
232 HB2 ASN 39 HB2 ASN 39 -7.722 2.267 -0.496
233 HB3 ASN 39 HB1 ASN 39 -6.191 1.448 -0.792
234 HD21 ASN 39 HD21 ASN 39 -9.008 1.088 1.339
235 HD22 ASN 39 HD22 ASN 39 -9.181 -0.614 1.103
236 H CYS 40 HN CYS 40 -4.181 2.735 0.270
237 HA CYS 40 HA CYS 40 -2.571 0.621 0.465
238 HB2 CYS 40 HB2 CYS 40 -2.177 3.424 0.351
239 HB3 CYS 40 HB1 CYS 40 -1.057 2.797 1.555
240 HA PRO 41 HA PRO 41 -1.436 1.194 5.095
241 HB2 PRO 41 HB2 PRO 41 -2.629 3.129 6.542
242 HB3 PRO 41 HB1 PRO 41 -1.199 3.445 5.551
243 HG2 PRO 41 HG2 PRO 41 -4.082 3.976 4.935
244 HG3 PRO 41 HG1 PRO 41 -2.674 5.020 4.671
245 HD2 PRO 41 HD2 PRO 41 -3.801 3.529 2.697
246 HD3 PRO 41 HD1 PRO 41 -2.075 3.933 2.736
247 H SER 42 HN SER 42 -2.464 0.667 7.211
248 HA SER 42 HA SER 42 -5.221 0.425 7.585
249 HB2 SER 42 HB2 SER 42 -3.923 -1.838 6.134
250 HB3 SER 42 HB1 SER 42 -5.131 -2.226 7.359
251 HG SER 42 HG SER 42 -6.465 -0.603 6.185
252 H LYS 43 HN LYS 43 -3.263 1.231 9.231
253 HA LYS 43 HA LYS 43 -3.207 -0.890 11.264
254 HB2 LYS 43 HB2 LYS 43 -0.924 1.002 10.678
255 HB3 LYS 43 HB1 LYS 43 -0.955 -0.228 11.932
256 HG2 LYS 43 HG2 LYS 43 -0.379 -1.848 10.514
257 HG3 LYS 43 HG1 LYS 43 -1.502 -1.288 9.275
258 HD2 LYS 43 HD2 LYS 43 0.320 0.666 9.117
259 HD3 LYS 43 HD1 LYS 43 1.360 -0.642 9.684
260 HE2 LYS 43 HE2 LYS 43 -0.457 -0.790 7.282
261 HE3 LYS 43 HE1 LYS 43 1.275 -0.469 7.219
262 HZ1 LYS 43 HZ1 LYS 43 1.268 -2.706 8.633
263 HZ2 LYS 43 HZ2 LYS 43 1.345 -2.692 6.943
264 HZ3 LYS 43 HZ3 LYS 43 -0.133 -2.964 7.720
265 H THR 44 HN THR 44 -2.774 0.000 13.475
266 HA THR 44 HA THR 44 -3.349 1.356 15.207
267 HB THR 44 HB THR 44 -3.235 3.651 13.251
268 HG1 THR 44 HG1 THR 44 -1.126 2.292 14.561
269 HG21 THR 44 HG21 THR 44 -2.735 5.032 15.039
270 HG22 THR 44 HG22 THR 44 -2.306 3.681 16.090
271 HG23 THR 44 HG23 THR 44 -3.996 3.977 15.678
272 H GLU 45 HN GLU 45 -5.197 2.105 16.182
273 HA GLU 45 HA GLU 45 -7.392 3.217 14.766
274 HB2 GLU 45 HB2 GLU 45 -7.307 0.286 15.166
275 HB3 GLU 45 HB1 GLU 45 -8.825 1.075 15.569
276 HG2 GLU 45 HG2 GLU 45 -8.487 2.193 13.213
277 HG3 GLU 45 HG1 GLU 45 -7.483 0.769 12.937
278 H GLN 46 HN GLN 46 -6.774 4.611 16.607
279 HA GLN 46 HA GLN 46 -8.144 3.753 19.072
280 HB2 GLN 46 HB2 GLN 46 -5.507 5.036 18.665
281 HB3 GLN 46 HB1 GLN 46 -6.475 5.674 19.985
282 HG2 GLN 46 HG2 GLN 46 -6.737 3.154 20.619
283 HG3 GLN 46 HG1 GLN 46 -5.278 2.971 19.646
284 HE21 GLN 46 HE21 GLN 46 -6.656 4.706 22.383
285 HE22 GLN 46 HE22 GLN 46 -5.162 4.948 23.217
286 HA PRO 47 HA PRO 47 -10.374 7.451 17.448
287 HB2 PRO 47 HB2 PRO 47 -12.834 6.623 18.232
288 HB3 PRO 47 HB1 PRO 47 -12.092 6.113 16.710
289 HG2 PRO 47 HG2 PRO 47 -12.251 4.658 19.321
290 HG3 PRO 47 HG1 PRO 47 -12.505 4.039 17.678
291 HD2 PRO 47 HD2 PRO 47 -10.187 3.676 19.037
292 HD3 PRO 47 HD1 PRO 47 -10.246 3.838 17.271
293 H ASP 48 HN ASP 48 -12.014 8.858 18.666
294 HA ASP 48 HA ASP 48 -11.409 8.836 21.547
295 HB2 ASP 48 HB2 ASP 48 -10.419 10.691 19.833
296 HB3 ASP 48 HB1 ASP 48 -11.934 11.462 20.294
297 H PHE 49 HN PHE 49 -13.648 7.592 20.556
298 HA PHE 49 HA PHE 49 -15.749 9.293 21.659
299 HB2 PHE 49 HB2 PHE 49 -15.552 8.831 18.923
300 HB3 PHE 49 HB1 PHE 49 -16.788 7.699 19.464
301 HD1 PHE 49 HD2 PHE 49 -18.026 9.256 21.655
302 HD2 PHE 49 HD1 PHE 49 -16.759 10.446 17.770
303 HE1 PHE 49 HE2 PHE 49 -19.686 11.072 21.674
304 HE2 PHE 49 HE1 PHE 49 -18.416 12.264 17.783
305 HZ PHE 49 HZ PHE 49 -19.884 12.578 19.736
306 HA PRO 50 HA PRO 50 -17.153 4.753 22.108
307 HB2 PRO 50 HB2 PRO 50 -15.313 2.973 20.783
308 HB3 PRO 50 HB1 PRO 50 -17.011 3.271 20.409
309 HG2 PRO 50 HG2 PRO 50 -14.928 3.998 18.778
310 HG3 PRO 50 HG1 PRO 50 -16.512 4.790 18.779
311 HD2 PRO 50 HD2 PRO 50 -13.958 5.653 20.081
312 HD3 PRO 50 HD1 PRO 50 -15.176 6.628 19.234
313 H TRP 51 HN TRP 51 -16.461 2.789 23.351
314 HA TRP 51 HA TRP 51 -15.339 1.833 25.083
315 HB2 TRP 51 HB2 TRP 51 -12.836 3.138 24.021
316 HB3 TRP 51 HB1 TRP 51 -12.970 1.653 24.958
317 HD1 TRP 51 HD1 TRP 51 -11.497 1.808 22.110
318 HE1 TRP 51 HE1 TRP 51 -12.314 0.286 20.203
319 HE3 TRP 51 HE3 TRP 51 -16.226 0.829 23.808
320 HZ2 TRP 51 HZ2 TRP 51 -14.647 -1.140 19.510
321 HZ3 TRP 51 HZ3 TRP 51 -17.683 -0.622 22.462
322 HH2 TRP 51 HH2 TRP 51 -16.909 -1.585 20.357
323 H ILE 52 HN ILE 52 -15.520 2.471 27.106
324 HA ILE 52 HA ILE 52 -14.580 5.170 27.831
325 HB ILE 52 HB ILE 52 -16.832 3.701 29.197
326 HG12 ILE 52 HG12 ILE 52 -17.535 4.122 26.916
327 HG13 ILE 52 HG11 ILE 52 -18.346 5.263 27.984
328 HG21 ILE 52 HG21 ILE 52 -17.289 5.761 30.277
329 HG22 ILE 52 HG22 ILE 52 -16.168 6.635 29.233
330 HG23 ILE 52 HG23 ILE 52 -15.551 5.488 30.422
331 HD11 ILE 52 HD11 ILE 52 -17.603 6.925 26.737
332 HD12 ILE 52 HD12 ILE 52 -16.738 5.783 25.708
333 HD13 ILE 52 HD13 ILE 52 -15.943 6.472 27.124
334 H TRP 53 HN TRP 53 -13.418 5.405 29.711
335 HA TRP 53 HA TRP 53 -12.080 4.834 31.462
336 HB2 TRP 53 HB2 TRP 53 -14.465 3.439 31.880
337 HB3 TRP 53 HB1 TRP 53 -13.202 2.234 32.107
338 HD1 TRP 53 HD1 TRP 53 -11.207 4.720 33.305
339 HE1 TRP 53 HE1 TRP 53 -11.536 5.287 35.793
340 HE3 TRP 53 HE3 TRP 53 -15.838 2.669 34.002
341 HZ2 TRP 53 HZ2 TRP 53 -13.498 4.914 37.788
342 HZ3 TRP 53 HZ3 TRP 53 -16.870 2.816 36.231
343 HH2 TRP 53 HH2 TRP 53 -15.723 3.916 38.084
344 H VAL 54 HN VAL 54 -10.059 4.128 31.294
345 HA VAL 54 HA VAL 54 -9.496 1.889 29.496
346 HB VAL 54 HB VAL 54 -8.289 3.992 29.089
347 HG11 VAL 54 HG11 VAL 54 -7.279 3.547 31.887
348 HG12 VAL 54 HG12 VAL 54 -8.110 4.961 31.237
349 HG13 VAL 54 HG13 VAL 54 -6.461 4.596 30.728
350 HG21 VAL 54 HG21 VAL 54 -6.381 2.944 28.463
351 HG22 VAL 54 HG22 VAL 54 -7.293 1.512 28.939
352 HG23 VAL 54 HG23 VAL 54 -6.125 2.223 30.052
Start of MODEL 13
1 H1 SER 5 HT1 SER 5 -10.698 -17.922 -7.652
2 H2 SER 5 HT2 SER 5 -9.677 -16.544 -7.728
3 H3 SER 5 HT3 SER 5 -11.001 -16.576 -6.636
4 HA SER 5 HA SER 5 -10.018 -18.187 -5.317
5 HB2 SER 5 HB2 SER 5 -8.986 -19.144 -7.633
6 HB3 SER 5 HB1 SER 5 -7.549 -18.390 -6.943
7 HG SER 5 HG SER 5 -8.044 -20.672 -6.361
8 H GLN 6 HN GLN 6 -7.797 -16.121 -7.199
9 HA GLN 6 HA GLN 6 -6.913 -14.921 -4.658
10 HB2 GLN 6 HB2 GLN 6 -4.857 -14.259 -5.983
11 HB3 GLN 6 HB1 GLN 6 -5.043 -15.977 -5.663
12 HG2 GLN 6 HG2 GLN 6 -5.708 -16.418 -7.882
13 HG3 GLN 6 HG1 GLN 6 -5.927 -14.704 -8.233
14 HE21 GLN 6 HE21 GLN 6 -3.521 -17.156 -7.462
15 HE22 GLN 6 HE22 GLN 6 -2.201 -16.373 -8.256
16 H GLY 7 HN GLY 7 -6.371 -12.632 -4.706
17 HA2 GLY 7 HA2 GLY 7 -8.390 -11.125 -6.084
18 HA3 GLY 7 HA1 GLY 7 -7.172 -10.483 -4.992
19 H GLU 8 HN GLU 8 -7.522 -8.845 -6.910
20 HA GLU 8 HA GLU 8 -5.368 -9.377 -8.846
21 HB2 GLU 8 HB2 GLU 8 -8.067 -8.130 -9.297
22 HB3 GLU 8 HB1 GLU 8 -6.716 -7.786 -10.369
23 HG2 GLU 8 HG2 GLU 8 -6.887 -9.751 -11.401
24 HG3 GLU 8 HG1 GLU 8 -7.095 -10.631 -9.888
25 H CYS 9 HN CYS 9 -4.996 -8.150 -6.352
26 HA CYS 9 HA CYS 9 -3.954 -5.589 -7.227
27 HB2 CYS 9 HB2 CYS 9 -5.843 -5.779 -4.869
28 HB3 CYS 9 HB1 CYS 9 -4.949 -4.342 -5.352
29 HA PRO 10 HA PRO 10 -1.093 -7.624 -4.295
30 HB2 PRO 10 HB2 PRO 10 1.131 -7.387 -5.743
31 HB3 PRO 10 HB1 PRO 10 -0.093 -8.594 -6.157
32 HG2 PRO 10 HG2 PRO 10 0.456 -5.941 -7.417
33 HG3 PRO 10 HG1 PRO 10 0.024 -7.478 -8.184
34 HD2 PRO 10 HD2 PRO 10 -1.744 -5.401 -7.633
35 HD3 PRO 10 HD1 PRO 10 -2.205 -7.084 -7.947
36 H GLU 11 HN GLU 11 1.329 -6.733 -3.759
37 HA GLU 11 HA GLU 11 1.148 -4.537 -2.211
38 HB2 GLU 11 HB2 GLU 11 3.129 -6.120 -2.491
39 HB3 GLU 11 HB1 GLU 11 3.642 -5.083 -3.815
40 HG2 GLU 11 HG2 GLU 11 4.691 -3.805 -2.351
41 HG3 GLU 11 HG1 GLU 11 3.129 -3.374 -1.656
42 H GLY 12 HN GLY 12 1.385 -2.375 -2.349
43 HA2 GLY 12 HA2 GLY 12 1.537 -0.274 -3.319
44 HA3 GLY 12 HA1 GLY 12 2.074 -1.044 -4.810
45 H ARG 13 HN ARG 13 -0.843 -1.832 -3.049
46 HA ARG 13 HA ARG 13 -2.446 -0.977 -5.370
47 HB2 ARG 13 HB2 ARG 13 -3.999 -2.673 -4.816
48 HB3 ARG 13 HB1 ARG 13 -2.409 -3.411 -4.684
49 HG2 ARG 13 HG2 ARG 13 -3.090 -2.264 -2.170
50 HG3 ARG 13 HG1 ARG 13 -4.440 -3.256 -2.728
51 HD2 ARG 13 HD2 ARG 13 -2.514 -4.971 -3.272
52 HD3 ARG 13 HD1 ARG 13 -1.648 -4.047 -2.048
53 HE ARG 13 HE ARG 13 -3.861 -5.845 -1.632
54 HH11 ARG 13 HH11 ARG 13 -2.044 -3.166 -0.327
55 HH12 ARG 13 HH12 ARG 13 -2.506 -3.489 1.310
56 HH21 ARG 13 HH21 ARG 13 -4.469 -6.271 0.521
57 HH22 ARG 13 HH22 ARG 13 -3.882 -5.251 1.792
58 H ALA 14 HN ALA 14 -4.777 -0.524 -4.771
59 HA ALA 14 HA ALA 14 -5.492 0.336 -2.206
60 HB1 ALA 14 HB1 ALA 14 -4.371 2.298 -2.193
61 HB2 ALA 14 HB2 ALA 14 -5.791 2.839 -3.091
62 HB3 ALA 14 HB3 ALA 14 -4.311 2.406 -3.953
63 H TYR 15 HN TYR 15 -7.668 0.907 -2.063
64 HA TYR 15 HA TYR 15 -9.184 0.624 -4.574
65 HB2 TYR 15 HB2 TYR 15 -9.432 -1.364 -3.156
66 HB3 TYR 15 HB1 TYR 15 -9.949 -0.351 -1.812
67 HD1 TYR 15 HD2 TYR 15 -10.908 -1.725 -5.085
68 HD2 TYR 15 HD1 TYR 15 -12.187 0.534 -1.714
69 HE1 TYR 15 HE2 TYR 15 -13.240 -1.936 -5.835
70 HE2 TYR 15 HE1 TYR 15 -14.523 0.328 -2.455
71 HH TYR 15 HH TYR 15 -15.538 -1.859 -4.751
72 H SER 16 HN SER 16 -10.473 2.280 -5.070
73 HA SER 16 HA SER 16 -10.909 4.324 -3.015
74 HB2 SER 16 HB2 SER 16 -10.522 5.827 -4.632
75 HB3 SER 16 HB1 SER 16 -10.145 4.489 -5.717
76 HG SER 16 HG SER 16 -12.141 6.184 -5.909
77 H GLN 17 HN GLN 17 -12.726 3.992 -1.912
78 HA GLN 17 HA GLN 17 -14.955 2.564 -2.801
79 HB2 GLN 17 HB2 GLN 17 -14.273 4.226 -0.490
80 HB3 GLN 17 HB1 GLN 17 -15.984 4.263 -0.892
81 HG2 GLN 17 HG2 GLN 17 -14.924 1.571 -0.943
82 HG3 GLN 17 HG1 GLN 17 -14.674 2.354 0.617
83 HE21 GLN 17 HE21 GLN 17 -16.954 1.012 -1.575
84 HE22 GLN 17 HE22 GLN 17 -18.347 1.160 -0.564
85 H ASP 18 HN ASP 18 -14.044 5.862 -3.264
86 HA ASP 18 HA ASP 18 -16.540 6.992 -3.857
87 HB2 ASP 18 HB2 ASP 18 -14.170 8.089 -3.588
88 HB3 ASP 18 HB1 ASP 18 -14.067 7.839 -5.328
89 H LEU 19 HN LEU 19 -14.074 5.669 -6.058
90 HA LEU 19 HA LEU 19 -15.861 5.751 -8.295
91 HB2 LEU 19 HB2 LEU 19 -13.048 4.851 -7.858
92 HB3 LEU 19 HB1 LEU 19 -13.895 4.347 -9.307
93 HG LEU 19 HG LEU 19 -12.470 6.357 -9.626
94 HD11 LEU 19 HD11 LEU 19 -14.235 7.718 -10.754
95 HD12 LEU 19 HD12 LEU 19 -15.439 6.650 -10.032
96 HD13 LEU 19 HD13 LEU 19 -14.254 6.004 -11.168
97 HD21 LEU 19 HD21 LEU 19 -14.452 8.062 -8.248
98 HD22 LEU 19 HD22 LEU 19 -12.715 8.283 -8.461
99 HD23 LEU 19 HD23 LEU 19 -13.319 7.178 -7.226
100 H GLY 20 HN GLY 20 -14.941 3.475 -5.878
101 HA2 GLY 20 HA2 GLY 20 -15.868 1.431 -5.346
102 HA3 GLY 20 HA1 GLY 20 -16.993 1.649 -6.678
103 H LYS 21 HN LYS 21 -13.436 1.426 -6.560
104 HA LYS 21 HA LYS 21 -13.416 -1.169 -7.776
105 HB2 LYS 21 HB2 LYS 21 -12.308 -0.469 -9.878
106 HB3 LYS 21 HB1 LYS 21 -13.967 0.098 -9.761
107 HG2 LYS 21 HG2 LYS 21 -12.550 2.182 -8.685
108 HG3 LYS 21 HG1 LYS 21 -11.481 1.601 -9.962
109 HD2 LYS 21 HD2 LYS 21 -14.388 2.340 -10.300
110 HD3 LYS 21 HD1 LYS 21 -13.012 3.338 -10.775
111 HE2 LYS 21 HE2 LYS 21 -12.415 1.912 -12.507
112 HE3 LYS 21 HE1 LYS 21 -13.287 0.546 -11.814
113 HZ1 LYS 21 HZ1 LYS 21 -14.279 2.746 -13.452
114 HZ2 LYS 21 HZ2 LYS 21 -15.309 2.173 -12.240
115 HZ3 LYS 21 HZ3 LYS 21 -14.740 1.118 -13.432
116 H CYS 22 HN CYS 22 -11.239 -1.988 -8.109
117 HA CYS 22 HA CYS 22 -9.378 -0.761 -6.223
118 HB2 CYS 22 HB2 CYS 22 -9.929 -3.183 -6.016
119 HB3 CYS 22 HB1 CYS 22 -9.202 -3.454 -7.595
120 H MET 23 HN MET 23 -7.170 -0.465 -6.724
121 HA MET 23 HA MET 23 -6.289 -0.595 -9.471
122 HB2 MET 23 HB2 MET 23 -5.570 2.011 -8.917
123 HB3 MET 23 HB1 MET 23 -6.881 1.517 -9.972
124 HG2 MET 23 HG2 MET 23 -7.483 1.729 -7.100
125 HG3 MET 23 HG1 MET 23 -7.156 3.226 -7.965
126 HE1 MET 23 HE1 MET 23 -9.497 4.503 -9.192
127 HE2 MET 23 HE2 MET 23 -9.133 4.232 -7.487
128 HE3 MET 23 HE3 MET 23 -10.742 3.874 -8.113
129 H GLU 24 HN GLU 24 -4.053 1.130 -9.152
130 HA GLU 24 HA GLU 24 -2.579 -0.389 -7.112
131 HB2 GLU 24 HB2 GLU 24 -0.872 -0.658 -8.543
132 HB3 GLU 24 HB1 GLU 24 -2.052 -0.267 -9.779
133 HG2 GLU 24 HG2 GLU 24 -1.340 2.086 -9.619
134 HG3 GLU 24 HG1 GLU 24 -0.078 1.580 -8.499
135 H CYS 25 HN CYS 25 -1.814 0.678 -5.416
136 HA CYS 25 HA CYS 25 -2.206 3.400 -4.997
137 HB2 CYS 25 HB2 CYS 25 -1.881 1.972 -3.103
138 HB3 CYS 25 HB1 CYS 25 -0.326 1.419 -3.707
139 H SER 26 HN SER 26 0.304 1.663 -6.604
140 HA SER 26 HA SER 26 2.324 3.611 -6.596
141 HB2 SER 26 HB2 SER 26 1.945 1.081 -7.760
142 HB3 SER 26 HB1 SER 26 2.199 2.179 -9.117
143 HG SER 26 HG SER 26 4.224 2.164 -8.608
144 H VAL 27 HN VAL 27 -0.740 3.397 -8.204
145 HA VAL 27 HA VAL 27 -0.324 4.987 -10.457
146 HB VAL 27 HB VAL 27 -2.719 4.583 -8.698
147 HG11 VAL 27 HG11 VAL 27 -3.994 5.907 -10.499
148 HG12 VAL 27 HG12 VAL 27 -2.434 6.651 -10.848
149 HG13 VAL 27 HG13 VAL 27 -3.145 6.807 -9.242
150 HG21 VAL 27 HG21 VAL 27 -1.656 3.417 -11.077
151 HG22 VAL 27 HG22 VAL 27 -3.235 4.116 -11.434
152 HG23 VAL 27 HG23 VAL 27 -3.068 2.931 -10.138
153 H CYS 28 HN CYS 28 -0.489 5.881 -7.118
154 HA CYS 28 HA CYS 28 -0.959 8.639 -7.406
155 HB2 CYS 28 HB2 CYS 28 0.241 6.936 -5.250
156 HB3 CYS 28 HB1 CYS 28 0.309 8.690 -5.119
157 H LYS 29 HN LYS 29 0.711 10.319 -6.721
158 HA LYS 29 HA LYS 29 3.232 9.779 -8.146
159 HB2 LYS 29 HB2 LYS 29 1.308 11.923 -8.381
160 HB3 LYS 29 HB1 LYS 29 2.894 12.559 -7.968
161 HG2 LYS 29 HG2 LYS 29 2.633 10.568 -10.173
162 HG3 LYS 29 HG1 LYS 29 2.212 12.258 -10.456
163 HD2 LYS 29 HD2 LYS 29 4.363 12.768 -10.693
164 HD3 LYS 29 HD1 LYS 29 4.698 12.171 -9.068
165 HE2 LYS 29 HE2 LYS 29 4.727 9.843 -10.135
166 HE3 LYS 29 HE1 LYS 29 4.830 10.692 -11.677
167 HZ1 LYS 29 HZ1 LYS 29 6.714 11.427 -9.558
168 HZ2 LYS 29 HZ2 LYS 29 6.923 11.437 -11.236
169 HZ3 LYS 29 HZ3 LYS 29 6.972 9.974 -10.387
170 H ASN 30 HN ASN 30 2.320 12.477 -6.035
171 HA ASN 30 HA ASN 30 3.646 11.654 -3.721
172 HB2 ASN 30 HB2 ASN 30 5.387 12.747 -5.823
173 HB3 ASN 30 HB1 ASN 30 5.569 13.540 -4.261
174 HD21 ASN 30 HD21 ASN 30 5.776 12.006 -2.383
175 HD22 ASN 30 HD22 ASN 30 6.780 10.620 -2.619
176 H SER 31 HN SER 31 1.292 13.053 -4.421
177 HA SER 31 HA SER 31 1.699 15.462 -2.826
178 HB2 SER 31 HB2 SER 31 1.080 15.460 -5.668
179 HB3 SER 31 HB1 SER 31 -0.155 16.301 -4.732
180 HG SER 31 HG SER 31 1.280 17.776 -4.124
181 H GLU 32 HN GLU 32 -1.117 14.503 -4.747
182 HA GLU 32 HA GLU 32 -2.511 13.127 -2.749
183 HB2 GLU 32 HB2 GLU 32 -2.280 15.661 -1.928
184 HB3 GLU 32 HB1 GLU 32 -3.703 15.850 -2.942
185 HG2 GLU 32 HG2 GLU 32 -4.672 13.877 -1.643
186 HG3 GLU 32 HG1 GLU 32 -3.360 14.155 -0.497
187 H LYS 33 HN LYS 33 -5.097 14.605 -3.456
188 HA LYS 33 HA LYS 33 -6.715 14.572 -5.047
189 HB2 LYS 33 HB2 LYS 33 -4.276 14.868 -6.590
190 HB3 LYS 33 HB1 LYS 33 -5.476 13.936 -7.473
191 HG2 LYS 33 HG2 LYS 33 -7.051 15.701 -7.368
192 HG3 LYS 33 HG1 LYS 33 -6.071 16.591 -6.200
193 HD2 LYS 33 HD2 LYS 33 -4.554 17.276 -7.792
194 HD3 LYS 33 HD1 LYS 33 -4.898 15.912 -8.857
195 HE2 LYS 33 HE2 LYS 33 -6.640 16.956 -9.853
196 HE3 LYS 33 HE1 LYS 33 -7.136 17.771 -8.371
197 HZ1 LYS 33 HZ1 LYS 33 -4.678 18.575 -9.796
198 HZ2 LYS 33 HZ2 LYS 33 -5.607 19.468 -8.701
199 HZ3 LYS 33 HZ3 LYS 33 -6.189 19.178 -10.262
200 H SER 34 HN SER 34 -6.077 12.268 -3.579
201 HA SER 34 HA SER 34 -7.325 10.278 -5.252
202 HB2 SER 34 HB2 SER 34 -4.503 9.947 -4.250
203 HB3 SER 34 HB1 SER 34 -5.532 8.561 -4.616
204 HG SER 34 HG SER 34 -4.776 10.632 -6.403
205 H ASP 35 HN ASP 35 -8.906 9.570 -4.010
206 HA ASP 35 HA ASP 35 -8.665 9.617 -1.119
207 HB2 ASP 35 HB2 ASP 35 -10.925 9.108 -3.035
208 HB3 ASP 35 HB1 ASP 35 -11.087 8.708 -1.328
209 H PHE 36 HN PHE 36 -7.650 7.521 -3.374
210 HA PHE 36 HA PHE 36 -8.325 5.133 -1.807
211 HB2 PHE 36 HB2 PHE 36 -8.583 4.013 -3.748
212 HB3 PHE 36 HB1 PHE 36 -8.591 5.591 -4.517
213 HD1 PHE 36 HD2 PHE 36 -5.815 6.401 -4.501
214 HD2 PHE 36 HD1 PHE 36 -7.530 2.564 -5.115
215 HE1 PHE 36 HE2 PHE 36 -3.835 5.729 -5.800
216 HE2 PHE 36 HE1 PHE 36 -5.557 1.881 -6.411
217 HZ PHE 36 HZ PHE 36 -3.715 3.460 -6.748
218 H CYS 37 HN CYS 37 -5.769 7.236 -2.580
219 HA CYS 37 HA CYS 37 -3.642 5.399 -2.262
220 HB2 CYS 37 HB2 CYS 37 -3.848 8.115 -2.840
221 HB3 CYS 37 HB1 CYS 37 -3.052 8.082 -1.270
222 H GLN 38 HN GLN 38 -6.039 6.168 -0.174
223 HA GLN 38 HA GLN 38 -4.473 6.261 2.257
224 HB2 GLN 38 HB2 GLN 38 -6.875 5.875 3.216
225 HB3 GLN 38 HB1 GLN 38 -6.427 7.439 2.560
226 HG2 GLN 38 HG2 GLN 38 -7.744 7.185 0.699
227 HG3 GLN 38 HG1 GLN 38 -7.714 5.425 0.788
228 HE21 GLN 38 HE21 GLN 38 -9.545 8.134 1.311
229 HE22 GLN 38 HE22 GLN 38 -10.750 7.459 2.347
230 H ASN 39 HN ASN 39 -5.744 3.947 0.148
231 HA ASN 39 HA ASN 39 -6.137 1.837 2.032
232 HB2 ASN 39 HB2 ASN 39 -6.738 2.250 -0.662
233 HB3 ASN 39 HB1 ASN 39 -5.598 0.905 -0.647
234 HD21 ASN 39 HD21 ASN 39 -6.301 -1.056 -0.104
235 HD22 ASN 39 HD22 ASN 39 -7.879 -1.412 0.504
236 H CYS 40 HN CYS 40 -3.522 2.847 -0.038
237 HA CYS 40 HA CYS 40 -1.723 0.944 -0.246
238 HB2 CYS 40 HB2 CYS 40 -1.540 3.677 -0.194
239 HB3 CYS 40 HB1 CYS 40 -0.480 3.223 1.133
240 HA PRO 41 HA PRO 41 -0.275 0.810 4.310
241 HB2 PRO 41 HB2 PRO 41 -1.331 2.435 6.152
242 HB3 PRO 41 HB1 PRO 41 -0.086 3.008 5.034
243 HG2 PRO 41 HG2 PRO 41 -3.055 3.388 4.916
244 HG3 PRO 41 HG1 PRO 41 -1.766 4.570 4.626
245 HD2 PRO 41 HD2 PRO 41 -3.097 3.249 2.630
246 HD3 PRO 41 HD1 PRO 41 -1.446 3.872 2.472
247 H SER 42 HN SER 42 -2.245 -0.765 3.318
248 HA SER 42 HA SER 42 -4.489 -0.958 5.096
249 HB2 SER 42 HB2 SER 42 -3.451 -2.623 2.819
250 HB3 SER 42 HB1 SER 42 -4.744 -3.230 3.854
251 HG SER 42 HG SER 42 -6.062 -2.001 2.797
252 H LYS 43 HN LYS 43 -1.516 -2.831 4.583
253 HA LYS 43 HA LYS 43 -1.986 -4.795 6.519
254 HB2 LYS 43 HB2 LYS 43 0.484 -3.695 5.231
255 HB3 LYS 43 HB1 LYS 43 0.628 -4.839 6.559
256 HG2 LYS 43 HG2 LYS 43 -1.206 -6.052 4.921
257 HG3 LYS 43 HG1 LYS 43 -0.107 -5.281 3.777
258 HD2 LYS 43 HD2 LYS 43 1.791 -6.378 4.809
259 HD3 LYS 43 HD1 LYS 43 0.745 -7.079 6.046
260 HE2 LYS 43 HE2 LYS 43 -0.327 -7.749 3.502
261 HE3 LYS 43 HE1 LYS 43 1.399 -8.106 3.476
262 HZ1 LYS 43 HZ1 LYS 43 0.443 -10.035 4.294
263 HZ2 LYS 43 HZ2 LYS 43 -0.684 -9.211 5.249
264 HZ3 LYS 43 HZ3 LYS 43 0.944 -9.247 5.704
265 H THR 44 HN THR 44 -1.151 -1.488 6.861
266 HA THR 44 HA THR 44 -1.338 -1.642 9.708
267 HB THR 44 HB THR 44 0.938 -2.305 9.669
268 HG1 THR 44 HG1 THR 44 0.566 -0.613 11.124
269 HG21 THR 44 HG21 THR 44 1.141 -0.523 7.361
270 HG22 THR 44 HG22 THR 44 2.049 -1.982 7.761
271 HG23 THR 44 HG23 THR 44 2.501 -0.436 8.481
272 H GLU 45 HN GLU 45 -2.640 0.029 10.043
273 HA GLU 45 HA GLU 45 -2.601 2.355 8.347
274 HB2 GLU 45 HB2 GLU 45 -4.167 1.891 10.889
275 HB3 GLU 45 HB1 GLU 45 -4.481 3.123 9.674
276 HG2 GLU 45 HG2 GLU 45 -4.552 0.833 8.194
277 HG3 GLU 45 HG1 GLU 45 -5.227 0.302 9.733
278 H GLN 46 HN GLN 46 -1.112 3.878 8.588
279 HA GLN 46 HA GLN 46 -0.109 4.474 11.286
280 HB2 GLN 46 HB2 GLN 46 1.123 5.286 8.653
281 HB3 GLN 46 HB1 GLN 46 1.857 5.383 10.247
282 HG2 GLN 46 HG2 GLN 46 1.719 2.889 10.367
283 HG3 GLN 46 HG1 GLN 46 1.212 2.903 8.677
284 HE21 GLN 46 HE21 GLN 46 3.811 3.800 10.871
285 HE22 GLN 46 HE22 GLN 46 5.079 3.715 9.700
286 HA PRO 47 HA PRO 47 -2.861 8.068 10.975
287 HB2 PRO 47 HB2 PRO 47 -1.247 8.742 13.392
288 HB3 PRO 47 HB1 PRO 47 -2.997 8.802 13.155
289 HG2 PRO 47 HG2 PRO 47 -1.891 6.829 14.554
290 HG3 PRO 47 HG1 PRO 47 -3.252 6.517 13.463
291 HD2 PRO 47 HD2 PRO 47 -0.354 5.910 13.104
292 HD3 PRO 47 HD1 PRO 47 -1.776 4.997 12.561
293 H ASP 48 HN ASP 48 -2.198 9.350 9.334
294 HA ASP 48 HA ASP 48 -0.239 11.376 9.890
295 HB2 ASP 48 HB2 ASP 48 0.798 9.105 8.784
296 HB3 ASP 48 HB1 ASP 48 0.421 10.048 7.345
297 H PHE 49 HN PHE 49 -3.009 11.379 9.353
298 HA PHE 49 HA PHE 49 -3.191 12.484 6.647
299 HB2 PHE 49 HB2 PHE 49 -4.996 10.975 8.309
300 HB3 PHE 49 HB1 PHE 49 -5.749 12.487 7.814
301 HD1 PHE 49 HD1 PHE 49 -3.613 9.850 6.250
302 HD2 PHE 49 HD2 PHE 49 -7.033 12.362 5.930
303 HE1 PHE 49 HE1 PHE 49 -4.122 8.870 4.052
304 HE2 PHE 49 HE2 PHE 49 -7.550 11.385 3.731
305 HZ PHE 49 HZ PHE 49 -6.093 9.635 2.790
306 HA PRO 50 HA PRO 50 -4.843 16.088 9.302
307 HB2 PRO 50 HB2 PRO 50 -4.721 15.481 12.104
308 HB3 PRO 50 HB1 PRO 50 -6.155 15.702 11.102
309 HG2 PRO 50 HG2 PRO 50 -5.399 13.310 12.249
310 HG3 PRO 50 HG1 PRO 50 -6.456 13.461 10.835
311 HD2 PRO 50 HD2 PRO 50 -3.536 12.826 10.961
312 HD3 PRO 50 HD1 PRO 50 -4.790 12.158 9.897
313 H TRP 51 HN TRP 51 -3.978 17.282 11.669
314 HA TRP 51 HA TRP 51 -1.112 17.543 11.115
315 HB2 TRP 51 HB2 TRP 51 -3.017 19.356 12.613
316 HB3 TRP 51 HB1 TRP 51 -1.299 19.673 12.392
317 HD1 TRP 51 HD1 TRP 51 -4.378 19.021 10.108
318 HE1 TRP 51 HE1 TRP 51 -4.148 20.524 8.031
319 HE3 TRP 51 HE3 TRP 51 0.137 21.176 11.161
320 HZ2 TRP 51 HZ2 TRP 51 -2.297 22.378 6.980
321 HZ3 TRP 51 HZ3 TRP 51 1.068 22.804 9.568
322 HH2 TRP 51 HH2 TRP 51 -0.125 23.391 7.520
323 H ILE 52 HN ILE 52 0.229 16.463 12.388
324 HA ILE 52 HA ILE 52 -0.627 15.688 15.073
325 HB ILE 52 HB ILE 52 1.901 14.863 13.653
326 HG12 ILE 52 HG12 ILE 52 0.005 14.200 12.281
327 HG13 ILE 52 HG11 ILE 52 0.686 12.781 13.071
328 HG21 ILE 52 HG21 ILE 52 1.622 12.886 15.230
329 HG22 ILE 52 HG22 ILE 52 0.437 13.876 16.081
330 HG23 ILE 52 HG23 ILE 52 2.109 14.421 15.949
331 HD11 ILE 52 HD11 ILE 52 -1.155 13.286 14.863
332 HD12 ILE 52 HD12 ILE 52 -1.545 12.421 13.376
333 HD13 ILE 52 HD13 ILE 52 -1.917 14.139 13.520
334 H TRP 53 HN TRP 53 0.174 16.551 16.885
335 HA TRP 53 HA TRP 53 2.748 17.601 17.218
336 HB2 TRP 53 HB2 TRP 53 0.945 19.399 15.923
337 HB3 TRP 53 HB1 TRP 53 1.278 20.020 17.537
338 HD1 TRP 53 HD1 TRP 53 4.357 19.015 17.658
339 HE1 TRP 53 HE1 TRP 53 6.113 20.299 16.281
340 HE3 TRP 53 HE3 TRP 53 1.254 21.241 14.259
341 HZ2 TRP 53 HZ2 TRP 53 6.174 22.025 14.049
342 HZ3 TRP 53 HZ3 TRP 53 2.241 22.694 12.536
343 HH2 TRP 53 HH2 TRP 53 4.650 23.077 12.435
344 H VAL 54 HN VAL 54 3.135 18.338 19.347
345 HA VAL 54 HA VAL 54 0.907 17.810 21.203
346 HB VAL 54 HB VAL 54 3.848 17.537 21.825
347 HG11 VAL 54 HG11 VAL 54 2.978 16.221 23.753
348 HG12 VAL 54 HG12 VAL 54 1.349 16.719 23.297
349 HG13 VAL 54 HG13 VAL 54 2.535 17.928 23.792
350 HG21 VAL 54 HG21 VAL 54 1.854 15.409 21.053
351 HG22 VAL 54 HG22 VAL 54 3.469 15.099 21.688
352 HG23 VAL 54 HG23 VAL 54 3.274 15.906 20.133
Start of MODEL 14
1 H1 SER 5 HT1 SER 5 -10.341 -2.379 -9.740
2 H2 SER 5 HT2 SER 5 -9.482 -1.692 -11.057
3 H3 SER 5 HT3 SER 5 -9.124 -3.287 -10.534
4 HA SER 5 HA SER 5 -11.771 -2.497 -11.517
5 HB2 SER 5 HB2 SER 5 -9.385 -3.546 -13.061
6 HB3 SER 5 HB1 SER 5 -11.026 -3.449 -13.700
7 HG SER 5 HG SER 5 -10.937 -1.232 -13.556
8 H GLN 6 HN GLN 6 -12.266 -3.954 -9.646
9 HA GLN 6 HA GLN 6 -12.976 -5.959 -8.838
10 HB2 GLN 6 HB2 GLN 6 -12.697 -6.758 -11.740
11 HB3 GLN 6 HB1 GLN 6 -13.480 -7.739 -10.509
12 HG2 GLN 6 HG2 GLN 6 -14.995 -5.713 -10.127
13 HG3 GLN 6 HG1 GLN 6 -14.369 -5.124 -11.665
14 HE21 GLN 6 HE21 GLN 6 -15.418 -8.280 -10.420
15 HE22 GLN 6 HE22 GLN 6 -16.509 -8.619 -11.716
16 H GLY 7 HN GLY 7 -11.127 -6.276 -7.551
17 HA2 GLY 7 HA2 GLY 7 -9.309 -7.444 -6.777
18 HA3 GLY 7 HA1 GLY 7 -9.786 -8.704 -7.906
19 H GLU 8 HN GLU 8 -7.759 -9.272 -8.594
20 HA GLU 8 HA GLU 8 -5.740 -9.139 -9.635
21 HB2 GLU 8 HB2 GLU 8 -7.785 -8.141 -11.298
22 HB3 GLU 8 HB1 GLU 8 -6.386 -7.108 -11.563
23 HG2 GLU 8 HG2 GLU 8 -5.888 -10.016 -11.531
24 HG3 GLU 8 HG1 GLU 8 -6.817 -9.387 -12.892
25 H CYS 9 HN CYS 9 -5.948 -7.462 -7.381
26 HA CYS 9 HA CYS 9 -3.979 -5.419 -8.122
27 HB2 CYS 9 HB2 CYS 9 -5.076 -3.854 -6.462
28 HB3 CYS 9 HB1 CYS 9 -5.979 -4.135 -7.947
29 HA PRO 10 HA PRO 10 -2.327 -7.734 -4.548
30 HB2 PRO 10 HB2 PRO 10 0.260 -7.581 -5.260
31 HB3 PRO 10 HB1 PRO 10 -0.844 -8.729 -6.026
32 HG2 PRO 10 HG2 PRO 10 0.119 -6.076 -7.020
33 HG3 PRO 10 HG1 PRO 10 -0.065 -7.603 -7.903
34 HD2 PRO 10 HD2 PRO 10 -1.890 -5.564 -7.994
35 HD3 PRO 10 HD1 PRO 10 -2.303 -7.271 -8.255
36 H GLU 11 HN GLU 11 0.149 -6.926 -3.523
37 HA GLU 11 HA GLU 11 -0.507 -4.744 -1.941
38 HB2 GLU 11 HB2 GLU 11 2.037 -4.619 -1.561
39 HB3 GLU 11 HB1 GLU 11 1.211 -6.107 -1.119
40 HG2 GLU 11 HG2 GLU 11 2.186 -6.104 -3.863
41 HG3 GLU 11 HG1 GLU 11 3.463 -5.914 -2.663
42 H GLY 12 HN GLY 12 1.249 -2.822 -1.863
43 HA2 GLY 12 HA2 GLY 12 1.693 -0.753 -2.776
44 HA3 GLY 12 HA1 GLY 12 2.231 -1.665 -4.182
45 H ARG 13 HN ARG 13 -1.005 -1.426 -2.784
46 HA ARG 13 HA ARG 13 -1.942 0.075 -5.129
47 HB2 ARG 13 HB2 ARG 13 -3.025 -1.669 -6.001
48 HB3 ARG 13 HB1 ARG 13 -2.268 -2.694 -4.795
49 HG2 ARG 13 HG2 ARG 13 -4.316 -1.587 -3.383
50 HG3 ARG 13 HG1 ARG 13 -5.008 -1.736 -4.995
51 HD2 ARG 13 HD2 ARG 13 -5.530 -3.797 -4.143
52 HD3 ARG 13 HD1 ARG 13 -3.955 -4.144 -4.854
53 HE ARG 13 HE ARG 13 -3.273 -3.457 -2.367
54 HH11 ARG 13 HH11 ARG 13 -5.734 -5.637 -3.543
55 HH12 ARG 13 HH12 ARG 13 -5.680 -6.651 -2.141
56 HH21 ARG 13 HH21 ARG 13 -3.201 -4.790 -0.526
57 HH22 ARG 13 HH22 ARG 13 -4.243 -6.171 -0.429
58 H ALA 14 HN ALA 14 -4.444 0.433 -4.830
59 HA ALA 14 HA ALA 14 -5.148 0.819 -2.050
60 HB1 ALA 14 HB1 ALA 14 -4.600 2.985 -2.124
61 HB2 ALA 14 HB2 ALA 14 -6.088 3.166 -3.049
62 HB3 ALA 14 HB3 ALA 14 -4.541 3.011 -3.886
63 H TYR 15 HN TYR 15 -7.516 2.099 -2.269
64 HA TYR 15 HA TYR 15 -9.106 0.878 -4.368
65 HB2 TYR 15 HB2 TYR 15 -9.142 -0.922 -2.784
66 HB3 TYR 15 HB1 TYR 15 -9.430 0.181 -1.444
67 HD1 TYR 15 HD2 TYR 15 -11.656 1.226 -1.156
68 HD2 TYR 15 HD1 TYR 15 -10.942 -1.712 -4.152
69 HE1 TYR 15 HE2 TYR 15 -14.080 0.884 -1.394
70 HE2 TYR 15 HE1 TYR 15 -13.363 -2.059 -4.398
71 HH TYR 15 HH TYR 15 -15.562 -1.252 -2.270
72 H SER 16 HN SER 16 -10.322 2.508 -5.083
73 HA SER 16 HA SER 16 -10.920 4.730 -3.324
74 HB2 SER 16 HB2 SER 16 -12.198 5.239 -5.738
75 HB3 SER 16 HB1 SER 16 -10.591 5.803 -5.273
76 HG SER 16 HG SER 16 -11.261 3.476 -6.748
77 H GLN 17 HN GLN 17 -12.458 4.166 -1.896
78 HA GLN 17 HA GLN 17 -14.654 2.530 -2.327
79 HB2 GLN 17 HB2 GLN 17 -15.598 3.528 -0.308
80 HB3 GLN 17 HB1 GLN 17 -13.881 3.207 -0.107
81 HG2 GLN 17 HG2 GLN 17 -13.720 5.288 0.632
82 HG3 GLN 17 HG1 GLN 17 -13.916 5.785 -1.048
83 HE21 GLN 17 HE21 GLN 17 -15.708 5.064 1.906
84 HE22 GLN 17 HE22 GLN 17 -17.013 6.152 1.594
85 H ASP 18 HN ASP 18 -14.138 5.827 -3.206
86 HA ASP 18 HA ASP 18 -16.844 6.581 -3.559
87 HB2 ASP 18 HB2 ASP 18 -14.441 7.905 -3.649
88 HB3 ASP 18 HB1 ASP 18 -14.900 7.869 -5.349
89 H LEU 19 HN LEU 19 -14.342 5.610 -5.898
90 HA LEU 19 HA LEU 19 -16.197 5.390 -8.047
91 HB2 LEU 19 HB2 LEU 19 -13.498 5.657 -7.896
92 HB3 LEU 19 HB1 LEU 19 -13.640 3.949 -8.263
93 HG LEU 19 HG LEU 19 -15.101 4.622 -10.230
94 HD11 LEU 19 HD11 LEU 19 -14.936 6.880 -11.039
95 HD12 LEU 19 HD12 LEU 19 -13.894 7.329 -9.688
96 HD13 LEU 19 HD13 LEU 19 -15.581 6.904 -9.397
97 HD21 LEU 19 HD21 LEU 19 -12.515 4.112 -10.118
98 HD22 LEU 19 HD22 LEU 19 -12.398 5.807 -10.591
99 HD23 LEU 19 HD23 LEU 19 -13.279 4.667 -11.607
100 H GLY 20 HN GLY 20 -14.985 3.280 -5.602
101 HA2 GLY 20 HA2 GLY 20 -15.753 1.205 -4.946
102 HA3 GLY 20 HA1 GLY 20 -16.924 1.271 -6.253
103 H LYS 21 HN LYS 21 -13.350 1.224 -6.106
104 HA LYS 21 HA LYS 21 -13.184 -1.385 -7.237
105 HB2 LYS 21 HB2 LYS 21 -11.972 -0.494 -9.353
106 HB3 LYS 21 HB1 LYS 21 -13.730 -0.548 -9.334
107 HG2 LYS 21 HG2 LYS 21 -12.831 1.972 -8.312
108 HG3 LYS 21 HG1 LYS 21 -12.076 1.650 -9.873
109 HD2 LYS 21 HD2 LYS 21 -14.938 1.014 -9.749
110 HD3 LYS 21 HD1 LYS 21 -14.560 2.724 -9.530
111 HE2 LYS 21 HE2 LYS 21 -14.928 2.274 -11.871
112 HE3 LYS 21 HE1 LYS 21 -13.229 2.663 -11.607
113 HZ1 LYS 21 HZ1 LYS 21 -13.092 0.053 -11.388
114 HZ2 LYS 21 HZ2 LYS 21 -13.004 0.824 -12.891
115 HZ3 LYS 21 HZ3 LYS 21 -14.459 0.129 -12.382
116 H CYS 22 HN CYS 22 -11.036 -2.160 -7.367
117 HA CYS 22 HA CYS 22 -9.177 -0.570 -5.769
118 HB2 CYS 22 HB2 CYS 22 -8.092 -2.574 -5.180
119 HB3 CYS 22 HB1 CYS 22 -9.803 -2.984 -5.187
120 H MET 23 HN MET 23 -7.381 0.288 -6.549
121 HA MET 23 HA MET 23 -6.505 -0.495 -9.249
122 HB2 MET 23 HB2 MET 23 -5.581 2.111 -8.864
123 HB3 MET 23 HB1 MET 23 -6.900 1.610 -9.906
124 HG2 MET 23 HG2 MET 23 -7.469 2.091 -7.047
125 HG3 MET 23 HG1 MET 23 -7.154 3.476 -8.083
126 HE1 MET 23 HE1 MET 23 -10.227 3.970 -10.107
127 HE2 MET 23 HE2 MET 23 -8.482 3.907 -10.355
128 HE3 MET 23 HE3 MET 23 -9.143 4.748 -8.953
129 H GLU 24 HN GLU 24 -4.159 1.142 -9.173
130 HA GLU 24 HA GLU 24 -2.585 -0.462 -7.285
131 HB2 GLU 24 HB2 GLU 24 -0.694 -0.125 -8.724
132 HB3 GLU 24 HB1 GLU 24 -2.050 -0.670 -9.711
133 HG2 GLU 24 HG2 GLU 24 -2.461 1.638 -10.385
134 HG3 GLU 24 HG1 GLU 24 -1.104 2.154 -9.387
135 H CYS 25 HN CYS 25 -0.747 0.482 -6.282
136 HA CYS 25 HA CYS 25 -1.268 3.195 -5.362
137 HB2 CYS 25 HB2 CYS 25 -0.700 1.272 -3.792
138 HB3 CYS 25 HB1 CYS 25 0.936 1.349 -4.435
139 H SER 26 HN SER 26 1.026 1.400 -7.273
140 HA SER 26 HA SER 26 3.150 3.190 -7.373
141 HB2 SER 26 HB2 SER 26 2.677 0.816 -8.548
142 HB3 SER 26 HB1 SER 26 2.368 1.874 -9.924
143 HG SER 26 HG SER 26 4.695 1.076 -9.043
144 H VAL 27 HN VAL 27 -0.048 3.441 -8.615
145 HA VAL 27 HA VAL 27 0.496 5.412 -10.605
146 HB VAL 27 HB VAL 27 -1.601 3.826 -10.238
147 HG11 VAL 27 HG11 VAL 27 -2.300 4.904 -8.147
148 HG12 VAL 27 HG12 VAL 27 -3.538 4.999 -9.397
149 HG13 VAL 27 HG13 VAL 27 -2.551 6.413 -9.024
150 HG21 VAL 27 HG21 VAL 27 -1.317 6.439 -11.612
151 HG22 VAL 27 HG22 VAL 27 -2.914 5.691 -11.573
152 HG23 VAL 27 HG23 VAL 27 -1.552 4.825 -12.285
153 H CYS 28 HN CYS 28 -0.623 5.425 -7.308
154 HA CYS 28 HA CYS 28 -1.170 8.156 -7.023
155 HB2 CYS 28 HB2 CYS 28 -1.796 6.325 -5.412
156 HB3 CYS 28 HB1 CYS 28 -0.125 6.324 -4.859
157 H LYS 29 HN LYS 29 0.052 9.774 -5.831
158 HA LYS 29 HA LYS 29 2.947 9.405 -5.780
159 HB2 LYS 29 HB2 LYS 29 1.489 11.087 -7.696
160 HB3 LYS 29 HB1 LYS 29 2.775 11.929 -6.843
161 HG2 LYS 29 HG2 LYS 29 4.168 9.803 -7.508
162 HG3 LYS 29 HG1 LYS 29 2.935 9.667 -8.763
163 HD2 LYS 29 HD2 LYS 29 3.485 12.243 -9.061
164 HD3 LYS 29 HD1 LYS 29 5.027 11.740 -8.365
165 HE2 LYS 29 HE2 LYS 29 5.596 10.490 -10.176
166 HE3 LYS 29 HE1 LYS 29 3.925 10.070 -10.547
167 HZ1 LYS 29 HZ1 LYS 29 3.626 12.385 -11.333
168 HZ2 LYS 29 HZ2 LYS 29 4.744 11.504 -12.246
169 HZ3 LYS 29 HZ3 LYS 29 5.285 12.644 -11.121
170 H ASN 30 HN ASN 30 3.796 11.884 -5.158
171 HA ASN 30 HA ASN 30 2.527 12.326 -2.565
172 HB2 ASN 30 HB2 ASN 30 5.198 12.246 -3.417
173 HB3 ASN 30 HB1 ASN 30 4.886 13.938 -3.041
174 HD21 ASN 30 HD21 ASN 30 4.634 14.559 -0.958
175 HD22 ASN 30 HD22 ASN 30 4.810 13.497 0.393
176 H SER 31 HN SER 31 1.102 13.261 -4.808
177 HA SER 31 HA SER 31 0.490 15.877 -4.018
178 HB2 SER 31 HB2 SER 31 2.786 15.954 -5.457
179 HB3 SER 31 HB1 SER 31 1.600 16.108 -6.752
180 HG SER 31 HG SER 31 1.760 17.735 -4.430
181 H GLU 32 HN GLU 32 -0.860 13.460 -4.628
182 HA GLU 32 HA GLU 32 -2.401 14.193 -7.026
183 HB2 GLU 32 HB2 GLU 32 -1.226 11.843 -6.630
184 HB3 GLU 32 HB1 GLU 32 -2.704 11.525 -5.732
185 HG2 GLU 32 HG2 GLU 32 -3.413 10.805 -7.740
186 HG3 GLU 32 HG1 GLU 32 -3.772 12.516 -7.970
187 H LYS 33 HN LYS 33 -4.717 13.949 -6.947
188 HA LYS 33 HA LYS 33 -5.779 14.481 -4.257
189 HB2 LYS 33 HB2 LYS 33 -6.728 15.302 -6.999
190 HB3 LYS 33 HB1 LYS 33 -7.740 15.453 -5.570
191 HG2 LYS 33 HG2 LYS 33 -6.853 17.483 -5.361
192 HG3 LYS 33 HG1 LYS 33 -5.413 16.655 -4.771
193 HD2 LYS 33 HD2 LYS 33 -5.482 16.693 -7.660
194 HD3 LYS 33 HD1 LYS 33 -5.606 18.325 -7.001
195 HE2 LYS 33 HE2 LYS 33 -3.480 16.302 -6.302
196 HE3 LYS 33 HE1 LYS 33 -3.275 17.669 -7.396
197 HZ1 LYS 33 HZ1 LYS 33 -3.150 19.123 -5.699
198 HZ2 LYS 33 HZ2 LYS 33 -2.664 17.762 -4.819
199 HZ3 LYS 33 HZ3 LYS 33 -4.267 18.294 -4.736
200 H SER 34 HN SER 34 -5.310 11.821 -5.020
201 HA SER 34 HA SER 34 -7.866 10.700 -5.833
202 HB2 SER 34 HB2 SER 34 -5.695 8.924 -4.870
203 HB3 SER 34 HB1 SER 34 -6.738 8.767 -6.283
204 HG SER 34 HG SER 34 -5.479 10.416 -7.276
205 H ASP 35 HN ASP 35 -9.288 9.658 -4.531
206 HA ASP 35 HA ASP 35 -8.965 10.046 -1.674
207 HB2 ASP 35 HB2 ASP 35 -11.250 9.263 -3.454
208 HB3 ASP 35 HB1 ASP 35 -11.352 8.997 -1.716
209 H PHE 36 HN PHE 36 -8.043 7.670 -3.765
210 HA PHE 36 HA PHE 36 -8.630 5.481 -1.915
211 HB2 PHE 36 HB2 PHE 36 -8.516 4.044 -3.685
212 HB3 PHE 36 HB1 PHE 36 -8.951 5.500 -4.559
213 HD1 PHE 36 HD1 PHE 36 -6.369 6.915 -4.653
214 HD2 PHE 36 HD2 PHE 36 -7.304 2.799 -5.158
215 HE1 PHE 36 HE1 PHE 36 -4.354 6.631 -6.043
216 HE2 PHE 36 HE2 PHE 36 -5.294 2.504 -6.547
217 HZ PHE 36 HZ PHE 36 -3.819 4.417 -6.987
218 H CYS 37 HN CYS 37 -6.081 7.564 -2.738
219 HA CYS 37 HA CYS 37 -3.908 5.847 -2.267
220 HB2 CYS 37 HB2 CYS 37 -4.201 8.823 -1.828
221 HB3 CYS 37 HB1 CYS 37 -2.674 7.963 -1.667
222 H GLN 38 HN GLN 38 -6.391 6.426 -0.241
223 HA GLN 38 HA GLN 38 -4.796 6.523 2.193
224 HB2 GLN 38 HB2 GLN 38 -7.674 6.127 2.498
225 HB3 GLN 38 HB1 GLN 38 -6.635 7.353 3.207
226 HG2 GLN 38 HG2 GLN 38 -6.742 8.620 1.106
227 HG3 GLN 38 HG1 GLN 38 -7.825 7.395 0.448
228 HE21 GLN 38 HE21 GLN 38 -9.343 9.112 0.137
229 HE22 GLN 38 HE22 GLN 38 -10.308 9.669 1.457
230 H ASN 39 HN ASN 39 -6.044 4.271 0.046
231 HA ASN 39 HA ASN 39 -6.492 2.219 2.059
232 HB2 ASN 39 HB2 ASN 39 -7.645 2.588 -0.340
233 HB3 ASN 39 HB1 ASN 39 -6.372 1.460 -0.792
234 HD21 ASN 39 HD21 ASN 39 -9.398 1.860 0.711
235 HD22 ASN 39 HD22 ASN 39 -9.642 0.218 1.187
236 H CYS 40 HN CYS 40 -4.130 3.117 -0.312
237 HA CYS 40 HA CYS 40 -2.527 0.859 -0.367
238 HB2 CYS 40 HB2 CYS 40 -2.225 2.677 -1.933
239 HB3 CYS 40 HB1 CYS 40 -1.765 3.770 -0.638
240 HA PRO 41 HA PRO 41 -0.009 2.736 3.349
241 HB2 PRO 41 HB2 PRO 41 -2.046 4.348 4.739
242 HB3 PRO 41 HB1 PRO 41 -0.373 4.752 4.345
243 HG2 PRO 41 HG2 PRO 41 -2.433 5.904 3.071
244 HG3 PRO 41 HG1 PRO 41 -0.914 5.522 2.236
245 HD2 PRO 41 HD2 PRO 41 -3.516 4.040 2.207
246 HD3 PRO 41 HD1 PRO 41 -2.416 4.401 0.864
247 H SER 42 HN SER 42 -0.785 2.872 5.979
248 HA SER 42 HA SER 42 -1.456 1.576 7.723
249 HB2 SER 42 HB2 SER 42 -3.767 0.874 5.896
250 HB3 SER 42 HB1 SER 42 -3.719 0.641 7.643
251 HG SER 42 HG SER 42 -4.807 2.582 6.970
252 H LYS 43 HN LYS 43 0.498 0.440 6.206
253 HA LYS 43 HA LYS 43 1.558 -1.528 5.787
254 HB2 LYS 43 HB2 LYS 43 -0.634 -2.741 7.480
255 HB3 LYS 43 HB1 LYS 43 0.929 -3.461 7.120
256 HG2 LYS 43 HG2 LYS 43 2.052 -1.714 8.370
257 HG3 LYS 43 HG1 LYS 43 0.507 -0.925 8.685
258 HD2 LYS 43 HD2 LYS 43 -0.032 -3.399 9.602
259 HD3 LYS 43 HD1 LYS 43 1.703 -3.326 9.918
260 HE2 LYS 43 HE2 LYS 43 1.305 -2.116 11.736
261 HE3 LYS 43 HE1 LYS 43 0.595 -0.854 10.731
262 HZ1 LYS 43 HZ1 LYS 43 -1.514 -1.577 11.149
263 HZ2 LYS 43 HZ2 LYS 43 -0.780 -1.995 12.614
264 HZ3 LYS 43 HZ3 LYS 43 -1.048 -3.179 11.437
265 H THR 44 HN THR 44 0.876 -4.040 5.211
266 HA THR 44 HA THR 44 -1.385 -4.054 3.380
267 HB THR 44 HB THR 44 1.438 -4.585 2.430
268 HG1 THR 44 HG1 THR 44 1.404 -2.641 1.632
269 HG21 THR 44 HG21 THR 44 -1.184 -5.167 1.249
270 HG22 THR 44 HG22 THR 44 0.393 -5.894 0.943
271 HG23 THR 44 HG23 THR 44 -0.032 -4.358 0.188
272 H GLU 45 HN GLU 45 -2.434 -5.829 3.969
273 HA GLU 45 HA GLU 45 -1.266 -8.404 3.740
274 HB2 GLU 45 HB2 GLU 45 -1.228 -7.129 6.365
275 HB3 GLU 45 HB1 GLU 45 -2.077 -8.669 6.378
276 HG2 GLU 45 HG2 GLU 45 -0.203 -9.869 5.938
277 HG3 GLU 45 HG1 GLU 45 0.547 -8.571 5.011
278 H GLN 46 HN GLN 46 -2.922 -9.265 2.663
279 HA GLN 46 HA GLN 46 -5.487 -9.497 4.012
280 HB2 GLN 46 HB2 GLN 46 -5.116 -8.145 1.347
281 HB3 GLN 46 HB1 GLN 46 -6.644 -8.885 1.803
282 HG2 GLN 46 HG2 GLN 46 -6.196 -7.367 3.975
283 HG3 GLN 46 HG1 GLN 46 -5.382 -6.400 2.745
284 HE21 GLN 46 HE21 GLN 46 -8.411 -8.177 3.246
285 HE22 GLN 46 HE22 GLN 46 -9.425 -7.008 2.477
286 HA PRO 47 HA PRO 47 -3.757 -13.311 1.793
287 HB2 PRO 47 HB2 PRO 47 -4.928 -14.432 4.294
288 HB3 PRO 47 HB1 PRO 47 -3.423 -14.853 3.469
289 HG2 PRO 47 HG2 PRO 47 -3.386 -13.393 5.694
290 HG3 PRO 47 HG1 PRO 47 -2.275 -13.043 4.357
291 HD2 PRO 47 HD2 PRO 47 -4.751 -11.602 5.194
292 HD3 PRO 47 HD1 PRO 47 -3.237 -10.955 4.530
293 H ASP 48 HN ASP 48 -5.118 -13.900 0.228
294 HA ASP 48 HA ASP 48 -7.519 -15.286 0.746
295 HB2 ASP 48 HB2 ASP 48 -7.722 -12.374 0.278
296 HB3 ASP 48 HB1 ASP 48 -8.813 -13.372 -0.678
297 H PHE 49 HN PHE 49 -5.839 -16.436 -0.644
298 HA PHE 49 HA PHE 49 -6.267 -15.800 -3.487
299 HB2 PHE 49 HB2 PHE 49 -3.951 -16.998 -2.012
300 HB3 PHE 49 HB1 PHE 49 -4.196 -17.393 -3.710
301 HD1 PHE 49 HD1 PHE 49 -4.886 -15.088 -5.084
302 HD2 PHE 49 HD2 PHE 49 -2.355 -15.399 -1.676
303 HE1 PHE 49 HE1 PHE 49 -3.759 -13.001 -5.736
304 HE2 PHE 49 HE2 PHE 49 -1.223 -13.311 -2.322
305 HZ PHE 49 HZ PHE 49 -1.926 -12.110 -4.354
306 HA PRO 50 HA PRO 50 -8.709 -19.633 -2.962
307 HB2 PRO 50 HB2 PRO 50 -10.196 -19.256 -5.213
308 HB3 PRO 50 HB1 PRO 50 -10.587 -18.513 -3.657
309 HG2 PRO 50 HG2 PRO 50 -9.178 -17.334 -6.019
310 HG3 PRO 50 HG1 PRO 50 -10.422 -16.611 -4.981
311 HD2 PRO 50 HD2 PRO 50 -7.800 -16.036 -4.700
312 HD3 PRO 50 HD1 PRO 50 -8.910 -16.091 -3.316
313 H TRP 51 HN TRP 51 -9.176 -21.427 -4.573
314 HA TRP 51 HA TRP 51 -6.802 -22.397 -5.651
315 HB2 TRP 51 HB2 TRP 51 -8.184 -24.124 -6.728
316 HB3 TRP 51 HB1 TRP 51 -8.669 -23.857 -5.056
317 HD1 TRP 51 HD1 TRP 51 -10.941 -22.226 -4.770
318 HE1 TRP 51 HE1 TRP 51 -13.062 -22.191 -6.227
319 HE3 TRP 51 HE3 TRP 51 -9.083 -24.482 -8.965
320 HZ2 TRP 51 HZ2 TRP 51 -13.845 -23.013 -8.811
321 HZ3 TRP 51 HZ3 TRP 51 -10.584 -24.822 -10.883
322 HH2 TRP 51 HH2 TRP 51 -12.916 -24.103 -10.807
323 H ILE 52 HN ILE 52 -5.682 -21.659 -7.309
324 HA ILE 52 HA ILE 52 -6.456 -19.788 -9.162
325 HB ILE 52 HB ILE 52 -4.113 -20.845 -8.621
326 HG12 ILE 52 HG12 ILE 52 -3.219 -19.839 -10.679
327 HG13 ILE 52 HG11 ILE 52 -4.835 -19.830 -11.377
328 HG21 ILE 52 HG21 ILE 52 -3.313 -22.525 -9.945
329 HG22 ILE 52 HG22 ILE 52 -4.444 -22.186 -11.255
330 HG23 ILE 52 HG23 ILE 52 -5.000 -23.022 -9.804
331 HD11 ILE 52 HD11 ILE 52 -3.597 -17.861 -9.783
332 HD12 ILE 52 HD12 ILE 52 -4.944 -18.529 -8.860
333 HD13 ILE 52 HD13 ILE 52 -5.222 -17.857 -10.468
334 H TRP 53 HN TRP 53 -6.765 -19.969 -11.501
335 HA TRP 53 HA TRP 53 -7.798 -20.754 -13.372
336 HB2 TRP 53 HB2 TRP 53 -6.355 -22.793 -12.922
337 HB3 TRP 53 HB1 TRP 53 -7.754 -23.502 -12.123
338 HD1 TRP 53 HD1 TRP 53 -7.915 -21.502 -15.417
339 HE1 TRP 53 HE1 TRP 53 -8.806 -23.061 -17.261
340 HE3 TRP 53 HE3 TRP 53 -8.065 -25.878 -12.778
341 HZ2 TRP 53 HZ2 TRP 53 -9.481 -25.786 -17.558
342 HZ3 TRP 53 HZ3 TRP 53 -8.845 -27.916 -13.916
343 HH2 TRP 53 HH2 TRP 53 -9.539 -27.868 -16.257
344 H VAL 54 HN VAL 54 -9.766 -19.836 -13.303
345 HA VAL 54 HA VAL 54 -11.791 -20.716 -11.449
346 HB VAL 54 HB VAL 54 -11.629 -18.347 -12.080
347 HG11 VAL 54 HG11 VAL 54 -12.445 -19.302 -14.822
348 HG12 VAL 54 HG12 VAL 54 -10.894 -18.588 -14.377
349 HG13 VAL 54 HG13 VAL 54 -12.363 -17.616 -14.310
350 HG21 VAL 54 HG21 VAL 54 -13.852 -18.011 -11.878
351 HG22 VAL 54 HG22 VAL 54 -13.882 -19.762 -11.664
352 HG23 VAL 54 HG23 VAL 54 -14.244 -19.059 -13.241
Start of MODEL 15
1 H1 SER 5 HT1 SER 5 -4.643 -14.247 -5.998
2 H2 SER 5 HT2 SER 5 -5.398 -15.006 -7.339
3 H3 SER 5 HT3 SER 5 -4.096 -15.781 -6.533
4 HA SER 5 HA SER 5 -6.360 -16.624 -6.041
5 HB2 SER 5 HB2 SER 5 -5.798 -16.823 -3.618
6 HB3 SER 5 HB1 SER 5 -4.420 -17.144 -4.670
7 HG SER 5 HG SER 5 -4.950 -14.872 -3.087
8 H GLN 6 HN GLN 6 -7.102 -14.057 -6.859
9 HA GLN 6 HA GLN 6 -8.765 -12.541 -6.530
10 HB2 GLN 6 HB2 GLN 6 -9.589 -14.768 -5.117
11 HB3 GLN 6 HB1 GLN 6 -9.691 -13.484 -3.922
12 HG2 GLN 6 HG2 GLN 6 -11.652 -12.928 -4.773
13 HG3 GLN 6 HG1 GLN 6 -10.820 -12.423 -6.244
14 HE21 GLN 6 HE21 GLN 6 -12.798 -13.011 -7.321
15 HE22 GLN 6 HE22 GLN 6 -13.092 -14.662 -7.736
16 H GLY 7 HN GLY 7 -7.903 -13.255 -3.146
17 HA2 GLY 7 HA2 GLY 7 -7.102 -11.902 -1.476
18 HA3 GLY 7 HA1 GLY 7 -6.189 -11.089 -2.738
19 H GLU 8 HN GLU 8 -6.769 -9.394 -0.945
20 HA GLU 8 HA GLU 8 -9.237 -8.032 -1.805
21 HB2 GLU 8 HB2 GLU 8 -7.959 -8.195 0.918
22 HB3 GLU 8 HB1 GLU 8 -9.119 -6.939 0.508
23 HG2 GLU 8 HG2 GLU 8 -10.667 -8.861 -0.175
24 HG3 GLU 8 HG1 GLU 8 -9.549 -9.893 0.716
25 H CYS 9 HN CYS 9 -6.845 -7.702 -3.176
26 HA CYS 9 HA CYS 9 -5.479 -6.094 -4.012
27 HB2 CYS 9 HB2 CYS 9 -7.553 -4.439 -2.601
28 HB3 CYS 9 HB1 CYS 9 -6.168 -3.665 -3.366
29 HA PRO 10 HA PRO 10 -2.948 -6.186 -0.149
30 HB2 PRO 10 HB2 PRO 10 -0.834 -6.677 -2.155
31 HB3 PRO 10 HB1 PRO 10 -1.222 -7.577 -0.686
32 HG2 PRO 10 HG2 PRO 10 -1.777 -8.569 -3.107
33 HG3 PRO 10 HG1 PRO 10 -2.866 -8.830 -1.731
34 HD2 PRO 10 HD2 PRO 10 -3.114 -6.893 -4.003
35 HD3 PRO 10 HD1 PRO 10 -4.365 -7.890 -3.231
36 H GLU 11 HN GLU 11 -0.340 -5.321 -0.371
37 HA GLU 11 HA GLU 11 -0.630 -2.526 -0.338
38 HB2 GLU 11 HB2 GLU 11 1.406 -4.438 0.277
39 HB3 GLU 11 HB1 GLU 11 2.114 -3.163 -0.705
40 HG2 GLU 11 HG2 GLU 11 0.850 -1.598 0.974
41 HG3 GLU 11 HG1 GLU 11 0.913 -3.023 2.012
42 H GLY 12 HN GLY 12 1.510 -1.418 -1.620
43 HA2 GLY 12 HA2 GLY 12 2.016 -0.431 -3.635
44 HA3 GLY 12 HA1 GLY 12 2.032 -2.077 -4.249
45 H ARG 13 HN ARG 13 -0.872 -0.746 -2.913
46 HA ARG 13 HA ARG 13 -2.008 0.304 -5.282
47 HB2 ARG 13 HB2 ARG 13 -2.709 -1.546 -6.307
48 HB3 ARG 13 HB1 ARG 13 -1.873 -2.498 -5.091
49 HG2 ARG 13 HG2 ARG 13 -3.980 -2.138 -3.675
50 HG3 ARG 13 HG1 ARG 13 -4.730 -1.687 -5.206
51 HD2 ARG 13 HD2 ARG 13 -3.148 -4.147 -5.332
52 HD3 ARG 13 HD1 ARG 13 -4.527 -4.242 -4.243
53 HE ARG 13 HE ARG 13 -5.621 -3.195 -6.464
54 HH11 ARG 13 HH11 ARG 13 -3.570 -5.973 -5.948
55 HH12 ARG 13 HH12 ARG 13 -4.214 -6.853 -7.291
56 HH21 ARG 13 HH21 ARG 13 -6.469 -4.354 -8.230
57 HH22 ARG 13 HH22 ARG 13 -5.860 -5.936 -8.587
58 H ALA 14 HN ALA 14 -4.575 0.274 -4.986
59 HA ALA 14 HA ALA 14 -5.394 0.207 -2.239
60 HB1 ALA 14 HB1 ALA 14 -4.798 2.320 -1.821
61 HB2 ALA 14 HB2 ALA 14 -6.241 2.737 -2.747
62 HB3 ALA 14 HB3 ALA 14 -4.662 2.723 -3.533
63 H TYR 15 HN TYR 15 -7.698 1.507 -2.214
64 HA TYR 15 HA TYR 15 -9.266 0.754 -4.565
65 HB2 TYR 15 HB2 TYR 15 -9.415 -1.192 -3.103
66 HB3 TYR 15 HB1 TYR 15 -9.854 -0.171 -1.742
67 HD1 TYR 15 HD2 TYR 15 -11.023 -1.369 -5.055
68 HD2 TYR 15 HD1 TYR 15 -12.100 0.412 -1.344
69 HE1 TYR 15 HE2 TYR 15 -13.399 -1.644 -5.619
70 HE2 TYR 15 HE1 TYR 15 -14.480 0.142 -1.899
71 HH TYR 15 HH TYR 15 -15.579 -1.828 -4.373
72 H SER 16 HN SER 16 -10.405 2.512 -5.114
73 HA SER 16 HA SER 16 -10.903 4.561 -3.112
74 HB2 SER 16 HB2 SER 16 -12.060 5.392 -5.526
75 HB3 SER 16 HB1 SER 16 -10.491 5.879 -4.878
76 HG SER 16 HG SER 16 -11.099 4.142 -6.931
77 H GLN 17 HN GLN 17 -12.591 4.169 -1.832
78 HA GLN 17 HA GLN 17 -14.862 2.679 -2.533
79 HB2 GLN 17 HB2 GLN 17 -14.050 4.393 -0.265
80 HB3 GLN 17 HB1 GLN 17 -15.783 4.183 -0.481
81 HG2 GLN 17 HG2 GLN 17 -15.706 1.929 -0.042
82 HG3 GLN 17 HG1 GLN 17 -14.009 1.790 -0.499
83 HE21 GLN 17 HE21 GLN 17 -15.355 0.868 1.905
84 HE22 GLN 17 HE22 GLN 17 -14.550 1.624 3.232
85 H ASP 18 HN ASP 18 -14.035 5.975 -3.077
86 HA ASP 18 HA ASP 18 -16.551 7.160 -3.299
87 HB2 ASP 18 HB2 ASP 18 -13.908 7.705 -4.629
88 HB3 ASP 18 HB1 ASP 18 -15.338 8.645 -5.046
89 H LEU 19 HN LEU 19 -14.578 5.590 -5.800
90 HA LEU 19 HA LEU 19 -16.845 5.591 -7.604
91 HB2 LEU 19 HB2 LEU 19 -14.122 5.920 -7.995
92 HB3 LEU 19 HB1 LEU 19 -14.434 4.297 -8.582
93 HG LEU 19 HG LEU 19 -16.468 5.742 -9.742
94 HD11 LEU 19 HD11 LEU 19 -15.796 7.814 -10.407
95 HD12 LEU 19 HD12 LEU 19 -14.081 7.419 -10.292
96 HD13 LEU 19 HD13 LEU 19 -15.011 7.746 -8.829
97 HD21 LEU 19 HD21 LEU 19 -13.876 4.611 -10.594
98 HD22 LEU 19 HD22 LEU 19 -14.651 5.734 -11.713
99 HD23 LEU 19 HD23 LEU 19 -15.507 4.286 -11.181
100 H GLY 20 HN GLY 20 -15.137 3.515 -5.482
101 HA2 GLY 20 HA2 GLY 20 -15.664 1.378 -4.789
102 HA3 GLY 20 HA1 GLY 20 -17.003 1.382 -5.928
103 H LYS 21 HN LYS 21 -13.489 1.730 -6.395
104 HA LYS 21 HA LYS 21 -13.434 -0.819 -7.815
105 HB2 LYS 21 HB2 LYS 21 -12.299 1.645 -9.125
106 HB3 LYS 21 HB1 LYS 21 -12.546 0.055 -9.831
107 HG2 LYS 21 HG2 LYS 21 -14.817 1.792 -8.910
108 HG3 LYS 21 HG1 LYS 21 -14.151 1.864 -10.542
109 HD2 LYS 21 HD2 LYS 21 -14.865 -0.286 -11.065
110 HD3 LYS 21 HD1 LYS 21 -15.016 -0.753 -9.370
111 HE2 LYS 21 HE2 LYS 21 -17.153 -0.146 -9.343
112 HE3 LYS 21 HE1 LYS 21 -16.743 1.468 -9.922
113 HZ1 LYS 21 HZ1 LYS 21 -18.239 -0.234 -11.295
114 HZ2 LYS 21 HZ2 LYS 21 -16.720 -0.652 -11.911
115 HZ3 LYS 21 HZ3 LYS 21 -17.272 0.942 -12.034
116 H CYS 22 HN CYS 22 -11.300 -1.655 -8.132
117 HA CYS 22 HA CYS 22 -9.408 -0.599 -6.160
118 HB2 CYS 22 HB2 CYS 22 -10.225 -3.231 -6.879
119 HB3 CYS 22 HB1 CYS 22 -8.519 -3.076 -7.283
120 H MET 23 HN MET 23 -7.487 0.221 -6.711
121 HA MET 23 HA MET 23 -6.551 -0.099 -9.474
122 HB2 MET 23 HB2 MET 23 -5.722 2.448 -8.879
123 HB3 MET 23 HB1 MET 23 -7.130 2.049 -9.845
124 HG2 MET 23 HG2 MET 23 -7.497 2.175 -6.927
125 HG3 MET 23 HG1 MET 23 -7.182 3.690 -7.766
126 HE1 MET 23 HE1 MET 23 -8.463 4.685 -9.518
127 HE2 MET 23 HE2 MET 23 -9.524 5.115 -8.178
128 HE3 MET 23 HE3 MET 23 -10.211 4.522 -9.690
129 H GLU 24 HN GLU 24 -4.256 1.508 -9.204
130 HA GLU 24 HA GLU 24 -2.713 -0.122 -7.306
131 HB2 GLU 24 HB2 GLU 24 -0.771 0.345 -8.704
132 HB3 GLU 24 HB1 GLU 24 -2.062 -0.388 -9.657
133 HG2 GLU 24 HG2 GLU 24 -2.687 1.857 -10.437
134 HG3 GLU 24 HG1 GLU 24 -1.329 2.510 -9.523
135 H CYS 25 HN CYS 25 -0.812 0.889 -6.364
136 HA CYS 25 HA CYS 25 -1.458 3.542 -5.380
137 HB2 CYS 25 HB2 CYS 25 -0.011 1.300 -4.357
138 HB3 CYS 25 HB1 CYS 25 1.066 2.685 -4.381
139 H SER 26 HN SER 26 0.728 2.001 -7.586
140 HA SER 26 HA SER 26 2.741 3.892 -7.818
141 HB2 SER 26 HB2 SER 26 2.601 1.682 -9.041
142 HB3 SER 26 HB1 SER 26 1.466 2.446 -10.154
143 HG SER 26 HG SER 26 4.201 2.734 -9.936
144 H VAL 27 HN VAL 27 -0.602 4.023 -8.704
145 HA VAL 27 HA VAL 27 -0.510 6.114 -10.592
146 HB VAL 27 HB VAL 27 -2.716 5.398 -8.656
147 HG11 VAL 27 HG11 VAL 27 -3.512 7.412 -9.292
148 HG12 VAL 27 HG12 VAL 27 -3.994 6.526 -10.737
149 HG13 VAL 27 HG13 VAL 27 -2.507 7.474 -10.740
150 HG21 VAL 27 HG21 VAL 27 -3.201 3.689 -9.988
151 HG22 VAL 27 HG22 VAL 27 -1.711 4.007 -10.876
152 HG23 VAL 27 HG23 VAL 27 -3.226 4.739 -11.404
153 H CYS 28 HN CYS 28 -0.449 6.078 -7.118
154 HA CYS 28 HA CYS 28 -1.004 8.805 -6.660
155 HB2 CYS 28 HB2 CYS 28 -0.176 6.515 -5.095
156 HB3 CYS 28 HB1 CYS 28 0.703 7.955 -4.598
157 H LYS 29 HN LYS 29 2.148 7.199 -6.227
158 HA LYS 29 HA LYS 29 4.281 7.937 -6.495
159 HB2 LYS 29 HB2 LYS 29 2.804 8.867 -8.857
160 HB3 LYS 29 HB1 LYS 29 4.285 9.760 -8.541
161 HG2 LYS 29 HG2 LYS 29 5.061 7.138 -8.231
162 HG3 LYS 29 HG1 LYS 29 3.907 7.064 -9.563
163 HD2 LYS 29 HD2 LYS 29 5.377 7.972 -10.969
164 HD3 LYS 29 HD1 LYS 29 5.667 9.326 -9.875
165 HE2 LYS 29 HE2 LYS 29 7.009 6.627 -9.822
166 HE3 LYS 29 HE1 LYS 29 7.742 8.166 -10.276
167 HZ1 LYS 29 HZ1 LYS 29 8.421 8.036 -8.130
168 HZ2 LYS 29 HZ2 LYS 29 7.087 7.129 -7.624
169 HZ3 LYS 29 HZ3 LYS 29 6.933 8.796 -7.864
170 H ASN 30 HN ASN 30 2.391 9.482 -4.771
171 HA ASN 30 HA ASN 30 2.343 11.388 -3.530
172 HB2 ASN 30 HB2 ASN 30 4.878 10.483 -3.477
173 HB3 ASN 30 HB1 ASN 30 5.156 12.070 -4.187
174 HD21 ASN 30 HD21 ASN 30 6.370 12.030 -2.017
175 HD22 ASN 30 HD22 ASN 30 5.515 12.707 -0.677
176 H SER 31 HN SER 31 0.959 12.257 -5.297
177 HA SER 31 HA SER 31 1.787 14.888 -5.974
178 HB2 SER 31 HB2 SER 31 1.995 12.760 -8.043
179 HB3 SER 31 HB1 SER 31 1.314 14.308 -8.545
180 HG SER 31 HG SER 31 3.766 13.863 -8.533
181 H GLU 32 HN GLU 32 -0.405 12.292 -7.049
182 HA GLU 32 HA GLU 32 -2.583 14.185 -7.340
183 HB2 GLU 32 HB2 GLU 32 -2.272 12.342 -8.966
184 HB3 GLU 32 HB1 GLU 32 -2.574 11.181 -7.681
185 HG2 GLU 32 HG2 GLU 32 -4.798 12.568 -7.421
186 HG3 GLU 32 HG1 GLU 32 -4.460 12.977 -9.103
187 H LYS 33 HN LYS 33 -3.903 14.713 -5.739
188 HA LYS 33 HA LYS 33 -3.799 13.388 -3.209
189 HB2 LYS 33 HB2 LYS 33 -5.054 15.799 -4.328
190 HB3 LYS 33 HB1 LYS 33 -5.991 15.025 -3.056
191 HG2 LYS 33 HG2 LYS 33 -3.129 15.350 -2.477
192 HG3 LYS 33 HG1 LYS 33 -4.048 16.849 -2.628
193 HD2 LYS 33 HD2 LYS 33 -5.376 14.774 -1.039
194 HD3 LYS 33 HD1 LYS 33 -3.853 15.346 -0.356
195 HE2 LYS 33 HE2 LYS 33 -5.877 17.311 -1.342
196 HE3 LYS 33 HE1 LYS 33 -6.089 16.552 0.235
197 HZ1 LYS 33 HZ1 LYS 33 -4.847 18.751 0.146
198 HZ2 LYS 33 HZ2 LYS 33 -3.556 17.878 -0.512
199 HZ3 LYS 33 HZ3 LYS 33 -4.132 17.500 1.033
200 H SER 34 HN SER 34 -4.396 11.261 -4.254
201 HA SER 34 HA SER 34 -7.147 10.860 -4.979
202 HB2 SER 34 HB2 SER 34 -6.566 8.602 -5.360
203 HB3 SER 34 HB1 SER 34 -5.126 9.516 -5.809
204 HG SER 34 HG SER 34 -4.239 8.114 -4.488
205 H ASP 35 HN ASP 35 -8.611 9.432 -3.846
206 HA ASP 35 HA ASP 35 -8.406 9.793 -0.952
207 HB2 ASP 35 HB2 ASP 35 -10.623 9.543 -2.886
208 HB3 ASP 35 HB1 ASP 35 -10.890 8.762 -1.331
209 H PHE 36 HN PHE 36 -7.800 7.410 -3.230
210 HA PHE 36 HA PHE 36 -8.509 5.212 -1.447
211 HB2 PHE 36 HB2 PHE 36 -8.436 3.809 -3.286
212 HB3 PHE 36 HB1 PHE 36 -8.919 5.318 -4.042
213 HD1 PHE 36 HD1 PHE 36 -6.371 6.763 -4.201
214 HD2 PHE 36 HD2 PHE 36 -7.263 2.662 -4.878
215 HE1 PHE 36 HE1 PHE 36 -4.425 6.588 -5.694
216 HE2 PHE 36 HE2 PHE 36 -5.320 2.479 -6.370
217 HZ PHE 36 HZ PHE 36 -3.902 4.442 -6.773
218 H CYS 37 HN CYS 37 -5.749 7.040 -2.296
219 HA CYS 37 HA CYS 37 -3.773 5.096 -1.955
220 HB2 CYS 37 HB2 CYS 37 -3.807 7.868 -2.324
221 HB3 CYS 37 HB1 CYS 37 -2.983 7.637 -0.786
222 H GLN 38 HN GLN 38 -6.115 5.887 0.215
223 HA GLN 38 HA GLN 38 -4.474 5.629 2.588
224 HB2 GLN 38 HB2 GLN 38 -6.920 5.453 3.573
225 HB3 GLN 38 HB1 GLN 38 -6.218 6.998 3.129
226 HG2 GLN 38 HG2 GLN 38 -7.530 7.196 1.245
227 HG3 GLN 38 HG1 GLN 38 -7.841 5.463 1.156
228 HE21 GLN 38 HE21 GLN 38 -8.695 8.458 2.704
229 HE22 GLN 38 HE22 GLN 38 -10.169 7.904 3.415
230 H ASN 39 HN ASN 39 -6.010 3.644 0.359
231 HA ASN 39 HA ASN 39 -6.632 1.475 2.129
232 HB2 ASN 39 HB2 ASN 39 -7.503 2.082 -0.327
233 HB3 ASN 39 HB1 ASN 39 -6.227 0.951 -0.759
234 HD21 ASN 39 HD21 ASN 39 -7.308 -0.814 -1.344
235 HD22 ASN 39 HD22 ASN 39 -8.454 -1.652 -0.360
236 H CYS 40 HN CYS 40 -4.003 2.276 -0.037
237 HA CYS 40 HA CYS 40 -2.484 0.094 -0.269
238 HB2 CYS 40 HB2 CYS 40 -1.985 2.855 -0.334
239 HB3 CYS 40 HB1 CYS 40 -0.744 2.178 0.713
240 HA PRO 41 HA PRO 41 -0.545 0.389 4.177
241 HB2 PRO 41 HB2 PRO 41 -2.457 2.098 5.632
242 HB3 PRO 41 HB1 PRO 41 -0.692 2.149 5.618
243 HG2 PRO 41 HG2 PRO 41 -2.165 4.035 4.404
244 HG3 PRO 41 HG1 PRO 41 -0.612 3.490 3.741
245 HD2 PRO 41 HD2 PRO 41 -3.393 2.766 2.899
246 HD3 PRO 41 HD1 PRO 41 -1.968 3.112 1.902
247 H SER 42 HN SER 42 -1.191 -1.705 4.450
248 HA SER 42 HA SER 42 -3.872 -2.144 5.590
249 HB2 SER 42 HB2 SER 42 -2.829 -3.290 3.330
250 HB3 SER 42 HB1 SER 42 -2.459 -4.506 4.553
251 HG SER 42 HG SER 42 -5.003 -3.407 3.941
252 H LYS 43 HN LYS 43 -0.835 -4.010 5.555
253 HA LYS 43 HA LYS 43 -1.206 -4.512 8.421
254 HB2 LYS 43 HB2 LYS 43 -0.890 -6.383 6.669
255 HB3 LYS 43 HB1 LYS 43 0.800 -5.898 6.660
256 HG2 LYS 43 HG2 LYS 43 0.698 -7.672 8.170
257 HG3 LYS 43 HG1 LYS 43 0.736 -6.229 9.186
258 HD2 LYS 43 HD2 LYS 43 -1.893 -6.457 8.970
259 HD3 LYS 43 HD1 LYS 43 -1.480 -8.148 8.679
260 HE2 LYS 43 HE2 LYS 43 -0.551 -8.415 10.789
261 HE3 LYS 43 HE1 LYS 43 -0.302 -6.683 11.006
262 HZ1 LYS 43 HZ1 LYS 43 -2.970 -7.983 10.925
263 HZ2 LYS 43 HZ2 LYS 43 -2.637 -6.370 11.311
264 HZ3 LYS 43 HZ3 LYS 43 -2.139 -7.608 12.351
265 H THR 44 HN THR 44 0.554 -4.355 9.875
266 HA THR 44 HA THR 44 2.162 -3.094 10.889
267 HB THR 44 HB THR 44 3.457 -4.831 9.674
268 HG1 THR 44 HG1 THR 44 4.854 -3.770 10.848
269 HG21 THR 44 HG21 THR 44 3.691 -2.699 7.576
270 HG22 THR 44 HG22 THR 44 3.132 -4.361 7.389
271 HG23 THR 44 HG23 THR 44 4.831 -4.036 7.730
272 H GLU 45 HN GLU 45 4.124 -1.417 10.083
273 HA GLU 45 HA GLU 45 3.023 0.612 8.326
274 HB2 GLU 45 HB2 GLU 45 3.714 1.392 11.154
275 HB3 GLU 45 HB1 GLU 45 2.904 2.356 9.928
276 HG2 GLU 45 HG2 GLU 45 1.000 0.735 10.042
277 HG3 GLU 45 HG1 GLU 45 1.800 0.000 11.431
278 H GLN 46 HN GLN 46 4.708 2.715 9.149
279 HA GLN 46 HA GLN 46 7.402 1.573 8.911
280 HB2 GLN 46 HB2 GLN 46 6.121 3.599 7.096
281 HB3 GLN 46 HB1 GLN 46 7.867 3.513 7.277
282 HG2 GLN 46 HG2 GLN 46 6.189 1.152 6.487
283 HG3 GLN 46 HG1 GLN 46 6.886 2.275 5.320
284 HE21 GLN 46 HE21 GLN 46 9.191 2.463 5.234
285 HE22 GLN 46 HE22 GLN 46 10.188 1.132 5.702
286 HA PRO 47 HA PRO 47 7.007 5.047 12.081
287 HB2 PRO 47 HB2 PRO 47 8.269 3.068 13.860
288 HB3 PRO 47 HB1 PRO 47 6.829 4.054 14.122
289 HG2 PRO 47 HG2 PRO 47 6.669 1.407 13.708
290 HG3 PRO 47 HG1 PRO 47 5.432 2.525 13.105
291 HD2 PRO 47 HD2 PRO 47 7.683 1.213 11.626
292 HD3 PRO 47 HD1 PRO 47 6.001 1.470 11.121
293 H ASP 48 HN ASP 48 8.667 5.909 10.638
294 HA ASP 48 HA ASP 48 10.775 6.539 10.048
295 HB2 ASP 48 HB2 ASP 48 12.145 7.317 11.876
296 HB3 ASP 48 HB1 ASP 48 10.459 7.639 12.264
297 H PHE 49 HN PHE 49 10.325 3.765 9.811
298 HA PHE 49 HA PHE 49 12.924 2.616 10.565
299 HB2 PHE 49 HB2 PHE 49 10.210 1.490 10.201
300 HB3 PHE 49 HB1 PHE 49 11.540 0.486 9.635
301 HD1 PHE 49 HD1 PHE 49 13.619 1.099 11.629
302 HD2 PHE 49 HD2 PHE 49 9.445 0.429 12.109
303 HE1 PHE 49 HE1 PHE 49 14.012 0.327 13.932
304 HE2 PHE 49 HE2 PHE 49 9.829 -0.344 14.413
305 HZ PHE 49 HZ PHE 49 12.116 -0.395 15.327
306 HA PRO 50 HA PRO 50 14.008 2.904 6.251
307 HB2 PRO 50 HB2 PRO 50 16.383 1.654 6.347
308 HB3 PRO 50 HB1 PRO 50 16.146 3.257 7.055
309 HG2 PRO 50 HG2 PRO 50 16.210 0.583 8.398
310 HG3 PRO 50 HG1 PRO 50 16.945 2.112 8.912
311 HD2 PRO 50 HD2 PRO 50 14.580 1.150 9.903
312 HD3 PRO 50 HD1 PRO 50 14.998 2.874 9.847
313 H TRP 51 HN TRP 51 14.094 1.609 4.406
314 HA TRP 51 HA TRP 51 13.633 -0.180 3.082
315 HB2 TRP 51 HB2 TRP 51 14.832 -1.624 5.446
316 HB3 TRP 51 HB1 TRP 51 14.346 -2.448 3.968
317 HD1 TRP 51 HD1 TRP 51 16.971 -0.001 5.305
318 HE1 TRP 51 HE1 TRP 51 18.926 0.096 3.633
319 HE3 TRP 51 HE3 TRP 51 14.944 -2.780 1.523
320 HZ2 TRP 51 HZ2 TRP 51 19.528 -0.876 1.052
321 HZ3 TRP 51 HZ3 TRP 51 16.275 -3.148 -0.514
322 HH2 TRP 51 HH2 TRP 51 18.519 -2.214 -0.743
323 H ILE 52 HN ILE 52 11.592 -0.664 2.635
324 HA ILE 52 HA ILE 52 9.663 -1.120 4.692
325 HB ILE 52 HB ILE 52 8.790 0.108 2.950
326 HG12 ILE 52 HG12 ILE 52 7.461 -2.053 3.485
327 HG13 ILE 52 HG11 ILE 52 7.003 -1.125 2.059
328 HG21 ILE 52 HG21 ILE 52 10.306 0.159 1.253
329 HG22 ILE 52 HG22 ILE 52 9.038 -0.810 0.501
330 HG23 ILE 52 HG23 ILE 52 10.460 -1.597 1.188
331 HD11 ILE 52 HD11 ILE 52 7.598 -3.824 2.168
332 HD12 ILE 52 HD12 ILE 52 9.031 -3.083 1.448
333 HD13 ILE 52 HD13 ILE 52 7.443 -2.833 0.715
334 H TRP 53 HN TRP 53 8.627 -3.011 5.198
335 HA TRP 53 HA TRP 53 9.336 -5.439 3.731
336 HB2 TRP 53 HB2 TRP 53 9.654 -6.585 6.008
337 HB3 TRP 53 HB1 TRP 53 10.965 -5.566 5.424
338 HD1 TRP 53 HD1 TRP 53 7.827 -4.129 7.113
339 HE1 TRP 53 HE1 TRP 53 8.536 -2.991 9.310
340 HE3 TRP 53 HE3 TRP 53 12.743 -5.527 7.200
341 HZ2 TRP 53 HZ2 TRP 53 10.871 -2.723 10.873
342 HZ3 TRP 53 HZ3 TRP 53 14.146 -4.788 9.082
343 HH2 TRP 53 HH2 TRP 53 13.228 -3.415 10.880
344 H VAL 54 HN VAL 54 8.047 -7.358 4.680
345 HA VAL 54 HA VAL 54 5.506 -6.618 5.867
346 HB VAL 54 HB VAL 54 5.114 -6.216 3.472
347 HG11 VAL 54 HG11 VAL 54 5.266 -9.085 2.795
348 HG12 VAL 54 HG12 VAL 54 6.802 -8.236 2.972
349 HG13 VAL 54 HG13 VAL 54 5.606 -7.664 1.808
350 HG21 VAL 54 HG21 VAL 54 3.075 -6.770 4.225
351 HG22 VAL 54 HG22 VAL 54 3.669 -8.197 5.075
352 HG23 VAL 54 HG23 VAL 54 3.333 -8.276 3.345
Start of MODEL 16
1 H1 SER 5 HT1 SER 5 -8.926 -16.333 -4.500
2 H2 SER 5 HT2 SER 5 -7.598 -15.277 -4.752
3 H3 SER 5 HT3 SER 5 -9.201 -14.719 -5.006
4 HA SER 5 HA SER 5 -9.697 -14.736 -2.779
5 HB2 SER 5 HB2 SER 5 -7.833 -15.643 -1.190
6 HB3 SER 5 HB1 SER 5 -8.890 -16.792 -2.010
7 HG SER 5 HG SER 5 -6.866 -17.534 -2.367
8 H GLN 6 HN GLN 6 -8.623 -12.830 -4.467
9 HA GLN 6 HA GLN 6 -7.354 -11.087 -2.579
10 HB2 GLN 6 HB2 GLN 6 -5.703 -12.588 -4.386
11 HB3 GLN 6 HB1 GLN 6 -5.604 -10.881 -4.792
12 HG2 GLN 6 HG2 GLN 6 -5.220 -11.918 -2.001
13 HG3 GLN 6 HG1 GLN 6 -3.899 -11.744 -3.155
14 HE21 GLN 6 HE21 GLN 6 -6.188 -10.096 -1.143
15 HE22 GLN 6 HE22 GLN 6 -5.483 -8.524 -1.270
16 H GLY 7 HN GLY 7 -8.122 -11.643 -6.000
17 HA2 GLY 7 HA2 GLY 7 -9.868 -10.217 -6.973
18 HA3 GLY 7 HA1 GLY 7 -9.143 -8.870 -6.106
19 H GLU 8 HN GLU 8 -9.054 -7.778 -8.161
20 HA GLU 8 HA GLU 8 -6.954 -8.787 -9.954
21 HB2 GLU 8 HB2 GLU 8 -7.908 -7.375 -11.682
22 HB3 GLU 8 HB1 GLU 8 -9.161 -8.399 -10.994
23 HG2 GLU 8 HG2 GLU 8 -9.562 -6.305 -9.455
24 HG3 GLU 8 HG1 GLU 8 -8.786 -5.459 -10.794
25 H CYS 9 HN CYS 9 -6.340 -7.520 -7.492
26 HA CYS 9 HA CYS 9 -4.627 -5.412 -8.488
27 HB2 CYS 9 HB2 CYS 9 -6.710 -4.879 -6.358
28 HB3 CYS 9 HB1 CYS 9 -5.341 -3.819 -6.678
29 HA PRO 10 HA PRO 10 -2.429 -7.904 -5.369
30 HB2 PRO 10 HB2 PRO 10 0.052 -7.428 -6.322
31 HB3 PRO 10 HB1 PRO 10 -1.033 -8.611 -7.063
32 HG2 PRO 10 HG2 PRO 10 -0.440 -5.798 -7.903
33 HG3 PRO 10 HG1 PRO 10 -0.583 -7.257 -8.902
34 HD2 PRO 10 HD2 PRO 10 -2.588 -5.439 -8.643
35 HD3 PRO 10 HD1 PRO 10 -2.881 -7.166 -8.927
36 H GLU 11 HN GLU 11 -0.047 -7.167 -4.346
37 HA GLU 11 HA GLU 11 -0.643 -5.138 -2.547
38 HB2 GLU 11 HB2 GLU 11 1.902 -5.111 -2.177
39 HB3 GLU 11 HB1 GLU 11 1.048 -6.618 -1.884
40 HG2 GLU 11 HG2 GLU 11 1.957 -6.416 -4.623
41 HG3 GLU 11 HG1 GLU 11 3.283 -6.253 -3.473
42 H GLY 12 HN GLY 12 1.157 -3.277 -2.294
43 HA2 GLY 12 HA2 GLY 12 1.638 -1.134 -2.993
44 HA3 GLY 12 HA1 GLY 12 2.164 -1.913 -4.481
45 H ARG 13 HN ARG 13 -1.070 -1.756 -3.079
46 HA ARG 13 HA ARG 13 -1.972 -0.019 -5.269
47 HB2 ARG 13 HB2 ARG 13 -3.089 -1.650 -6.296
48 HB3 ARG 13 HB1 ARG 13 -2.359 -2.797 -5.189
49 HG2 ARG 13 HG2 ARG 13 -4.447 -1.663 -3.752
50 HG3 ARG 13 HG1 ARG 13 -5.081 -1.898 -5.378
51 HD2 ARG 13 HD2 ARG 13 -5.561 -3.902 -4.260
52 HD3 ARG 13 HD1 ARG 13 -4.123 -4.259 -5.212
53 HE ARG 13 HE ARG 13 -3.087 -3.507 -2.843
54 HH11 ARG 13 HH11 ARG 13 -5.567 -5.809 -3.700
55 HH12 ARG 13 HH12 ARG 13 -5.233 -6.855 -2.360
56 HH21 ARG 13 HH21 ARG 13 -2.649 -4.880 -1.082
57 HH22 ARG 13 HH22 ARG 13 -3.579 -6.326 -0.873
58 H ALA 14 HN ALA 14 -4.470 0.345 -4.934
59 HA ALA 14 HA ALA 14 -5.161 0.513 -2.133
60 HB1 ALA 14 HB1 ALA 14 -4.625 2.669 -1.990
61 HB2 ALA 14 HB2 ALA 14 -6.037 2.965 -3.000
62 HB3 ALA 14 HB3 ALA 14 -4.439 2.826 -3.737
63 H TYR 15 HN TYR 15 -7.507 1.908 -2.290
64 HA TYR 15 HA TYR 15 -9.094 0.844 -4.477
65 HB2 TYR 15 HB2 TYR 15 -9.138 -1.019 -2.917
66 HB3 TYR 15 HB1 TYR 15 -9.583 0.056 -1.595
67 HD1 TYR 15 HD1 TYR 15 -10.784 -1.371 -4.800
68 HD2 TYR 15 HD2 TYR 15 -11.843 0.588 -1.176
69 HE1 TYR 15 HE1 TYR 15 -13.161 -1.763 -5.291
70 HE2 TYR 15 HE2 TYR 15 -14.223 0.202 -1.655
71 HH TYR 15 HH TYR 15 -15.400 -0.596 -4.603
72 H SER 16 HN SER 16 -10.265 2.522 -5.129
73 HA SER 16 HA SER 16 -10.834 4.691 -3.297
74 HB2 SER 16 HB2 SER 16 -12.056 5.348 -5.685
75 HB3 SER 16 HB1 SER 16 -10.417 5.795 -5.213
76 HG SER 16 HG SER 16 -11.220 4.152 -7.178
77 H GLN 17 HN GLN 17 -12.478 4.291 -1.939
78 HA GLN 17 HA GLN 17 -14.705 2.683 -2.494
79 HB2 GLN 17 HB2 GLN 17 -14.115 4.766 -0.420
80 HB3 GLN 17 HB1 GLN 17 -15.723 4.062 -0.529
81 HG2 GLN 17 HG2 GLN 17 -14.853 1.866 -0.119
82 HG3 GLN 17 HG1 GLN 17 -13.197 2.466 -0.187
83 HE21 GLN 17 HE21 GLN 17 -16.171 2.472 1.653
84 HE22 GLN 17 HE22 GLN 17 -15.467 2.951 3.156
85 H ASP 18 HN ASP 18 -14.040 6.021 -3.134
86 HA ASP 18 HA ASP 18 -16.655 6.958 -3.536
87 HB2 ASP 18 HB2 ASP 18 -13.983 7.809 -4.635
88 HB3 ASP 18 HB1 ASP 18 -15.472 8.619 -5.114
89 H LEU 19 HN LEU 19 -14.274 5.802 -5.917
90 HA LEU 19 HA LEU 19 -16.243 5.675 -7.993
91 HB2 LEU 19 HB2 LEU 19 -13.827 6.230 -8.366
92 HB3 LEU 19 HB1 LEU 19 -13.447 4.557 -8.002
93 HG LEU 19 HG LEU 19 -15.194 4.105 -9.948
94 HD11 LEU 19 HD11 LEU 19 -14.450 5.998 -11.681
95 HD12 LEU 19 HD12 LEU 19 -14.474 6.959 -10.202
96 HD13 LEU 19 HD13 LEU 19 -15.926 6.101 -10.719
97 HD21 LEU 19 HD21 LEU 19 -12.343 4.974 -10.413
98 HD22 LEU 19 HD22 LEU 19 -13.314 3.976 -11.496
99 HD23 LEU 19 HD23 LEU 19 -12.864 3.368 -9.903
100 H GLY 20 HN GLY 20 -15.003 3.564 -5.588
101 HA2 GLY 20 HA2 GLY 20 -15.697 1.461 -4.959
102 HA3 GLY 20 HA1 GLY 20 -16.918 1.542 -6.220
103 H LYS 21 HN LYS 21 -13.354 1.628 -6.346
104 HA LYS 21 HA LYS 21 -13.278 -0.980 -7.603
105 HB2 LYS 21 HB2 LYS 21 -12.060 1.261 -9.178
106 HB3 LYS 21 HB1 LYS 21 -12.495 -0.356 -9.710
107 HG2 LYS 21 HG2 LYS 21 -14.864 0.235 -9.561
108 HG3 LYS 21 HG1 LYS 21 -14.420 1.861 -9.038
109 HD2 LYS 21 HD2 LYS 21 -14.685 2.251 -11.270
110 HD3 LYS 21 HD1 LYS 21 -12.984 1.780 -11.266
111 HE2 LYS 21 HE2 LYS 21 -13.965 0.562 -13.024
112 HE3 LYS 21 HE1 LYS 21 -13.791 -0.586 -11.698
113 HZ1 LYS 21 HZ1 LYS 21 -16.035 -0.309 -13.047
114 HZ2 LYS 21 HZ2 LYS 21 -16.314 0.870 -11.866
115 HZ3 LYS 21 HZ3 LYS 21 -16.018 -0.732 -11.409
116 H CYS 22 HN CYS 22 -10.992 -1.625 -8.118
117 HA CYS 22 HA CYS 22 -9.185 -0.409 -6.141
118 HB2 CYS 22 HB2 CYS 22 -8.107 -2.531 -5.893
119 HB3 CYS 22 HB1 CYS 22 -9.839 -2.809 -5.778
120 H MET 23 HN MET 23 -7.342 0.476 -6.777
121 HA MET 23 HA MET 23 -6.418 -0.031 -9.524
122 HB2 MET 23 HB2 MET 23 -5.433 2.493 -8.885
123 HB3 MET 23 HB1 MET 23 -6.756 2.138 -9.979
124 HG2 MET 23 HG2 MET 23 -7.509 2.288 -7.162
125 HG3 MET 23 HG1 MET 23 -6.856 3.773 -7.836
126 HE1 MET 23 HE1 MET 23 -9.892 1.021 -8.727
127 HE2 MET 23 HE2 MET 23 -8.493 1.057 -9.799
128 HE3 MET 23 HE3 MET 23 -10.036 1.711 -10.343
129 H GLU 24 HN GLU 24 -4.031 1.501 -9.243
130 HA GLU 24 HA GLU 24 -2.576 -0.306 -7.444
131 HB2 GLU 24 HB2 GLU 24 -0.637 0.038 -8.794
132 HB3 GLU 24 HB1 GLU 24 -1.979 -0.324 -9.876
133 HG2 GLU 24 HG2 GLU 24 -2.051 2.399 -9.693
134 HG3 GLU 24 HG1 GLU 24 -0.326 2.050 -9.637
135 H CYS 25 HN CYS 25 -0.743 0.483 -6.318
136 HA CYS 25 HA CYS 25 -1.208 3.118 -5.186
137 HB2 CYS 25 HB2 CYS 25 -0.694 1.036 -3.796
138 HB3 CYS 25 HB1 CYS 25 0.956 1.167 -4.395
139 H SER 26 HN SER 26 1.026 1.466 -7.266
140 HA SER 26 HA SER 26 3.193 3.218 -7.188
141 HB2 SER 26 HB2 SER 26 2.105 1.286 -9.176
142 HB3 SER 26 HB1 SER 26 3.257 2.482 -9.770
143 HG SER 26 HG SER 26 3.643 0.328 -8.085
144 H VAL 27 HN VAL 27 0.000 3.604 -8.429
145 HA VAL 27 HA VAL 27 0.563 5.685 -10.286
146 HB VAL 27 HB VAL 27 -1.940 4.656 -9.009
147 HG11 VAL 27 HG11 VAL 27 -3.061 6.397 -10.638
148 HG12 VAL 27 HG12 VAL 27 -1.588 7.310 -10.315
149 HG13 VAL 27 HG13 VAL 27 -2.643 6.838 -8.982
150 HG21 VAL 27 HG21 VAL 27 -2.391 3.772 -11.050
151 HG22 VAL 27 HG22 VAL 27 -0.635 3.846 -11.181
152 HG23 VAL 27 HG23 VAL 27 -1.626 5.102 -11.919
153 H CYS 28 HN CYS 28 0.084 5.563 -6.867
154 HA CYS 28 HA CYS 28 -0.551 8.299 -6.476
155 HB2 CYS 28 HB2 CYS 28 0.055 5.976 -4.787
156 HB3 CYS 28 HB1 CYS 28 0.583 7.510 -4.105
157 H LYS 29 HN LYS 29 1.114 9.144 -7.970
158 HA LYS 29 HA LYS 29 3.472 9.918 -6.458
159 HB2 LYS 29 HB2 LYS 29 3.582 8.416 -9.067
160 HB3 LYS 29 HB1 LYS 29 4.903 9.449 -8.536
161 HG2 LYS 29 HG2 LYS 29 3.818 7.183 -6.885
162 HG3 LYS 29 HG1 LYS 29 5.154 7.006 -8.026
163 HD2 LYS 29 HD2 LYS 29 5.330 9.203 -6.038
164 HD3 LYS 29 HD1 LYS 29 5.541 7.553 -5.449
165 HE2 LYS 29 HE2 LYS 29 7.681 7.802 -6.054
166 HE3 LYS 29 HE1 LYS 29 7.095 7.568 -7.700
167 HZ1 LYS 29 HZ1 LYS 29 7.186 10.248 -6.459
168 HZ2 LYS 29 HZ2 LYS 29 7.098 9.850 -8.100
169 HZ3 LYS 29 HZ3 LYS 29 8.534 9.592 -7.244
170 H ASN 30 HN ASN 30 1.685 11.707 -6.731
171 HA ASN 30 HA ASN 30 2.787 13.653 -8.499
172 HB2 ASN 30 HB2 ASN 30 0.440 12.128 -9.370
173 HB3 ASN 30 HB1 ASN 30 0.193 13.871 -9.402
174 HD21 ASN 30 HD21 ASN 30 0.495 11.829 -11.544
175 HD22 ASN 30 HD22 ASN 30 1.754 12.434 -12.560
176 H SER 31 HN SER 31 1.905 15.768 -8.163
177 HA SER 31 HA SER 31 1.142 16.257 -5.490
178 HB2 SER 31 HB2 SER 31 1.560 17.897 -7.929
179 HB3 SER 31 HB1 SER 31 0.566 18.610 -6.658
180 HG SER 31 HG SER 31 3.275 17.940 -6.646
181 H GLU 32 HN GLU 32 -0.761 15.228 -4.967
182 HA GLU 32 HA GLU 32 -3.169 16.605 -5.648
183 HB2 GLU 32 HB2 GLU 32 -4.359 14.710 -6.648
184 HB3 GLU 32 HB1 GLU 32 -2.988 15.194 -7.637
185 HG2 GLU 32 HG2 GLU 32 -1.719 13.334 -6.374
186 HG3 GLU 32 HG1 GLU 32 -3.329 12.752 -5.951
187 H LYS 33 HN LYS 33 -5.108 15.019 -4.813
188 HA LYS 33 HA LYS 33 -4.228 13.943 -2.218
189 HB2 LYS 33 HB2 LYS 33 -6.556 15.768 -2.806
190 HB3 LYS 33 HB1 LYS 33 -6.454 14.815 -1.331
191 HG2 LYS 33 HG2 LYS 33 -4.224 16.643 -2.128
192 HG3 LYS 33 HG1 LYS 33 -5.653 17.258 -1.294
193 HD2 LYS 33 HD2 LYS 33 -5.003 16.400 0.671
194 HD3 LYS 33 HD1 LYS 33 -4.554 14.857 -0.057
195 HE2 LYS 33 HE2 LYS 33 -2.738 17.015 -0.774
196 HE3 LYS 33 HE1 LYS 33 -2.822 16.746 0.966
197 HZ1 LYS 33 HZ1 LYS 33 -2.041 14.824 -1.144
198 HZ2 LYS 33 HZ2 LYS 33 -2.477 14.316 0.408
199 HZ3 LYS 33 HZ3 LYS 33 -1.144 15.334 0.196
200 H SER 34 HN SER 34 -4.287 11.909 -3.452
201 HA SER 34 HA SER 34 -6.700 10.877 -4.509
202 HB2 SER 34 HB2 SER 34 -4.012 9.808 -3.865
203 HB3 SER 34 HB1 SER 34 -5.321 8.630 -3.934
204 HG SER 34 HG SER 34 -5.425 8.875 -6.023
205 H ASP 35 HN ASP 35 -8.354 9.807 -3.586
206 HA ASP 35 HA ASP 35 -8.482 9.752 -0.699
207 HB2 ASP 35 HB2 ASP 35 -10.487 9.140 -2.866
208 HB3 ASP 35 HB1 ASP 35 -10.837 8.888 -1.158
209 H PHE 36 HN PHE 36 -8.063 7.524 -3.312
210 HA PHE 36 HA PHE 36 -8.577 5.188 -1.712
211 HB2 PHE 36 HB2 PHE 36 -8.500 4.015 -3.666
212 HB3 PHE 36 HB1 PHE 36 -8.774 5.606 -4.348
213 HD1 PHE 36 HD2 PHE 36 -6.171 6.855 -4.256
214 HD2 PHE 36 HD1 PHE 36 -7.217 2.827 -5.125
215 HE1 PHE 36 HE2 PHE 36 -4.111 6.610 -5.581
216 HE2 PHE 36 HE1 PHE 36 -5.159 2.570 -6.449
217 HZ PHE 36 HZ PHE 36 -3.607 4.461 -6.674
218 H CYS 37 HN CYS 37 -5.854 7.168 -2.318
219 HA CYS 37 HA CYS 37 -3.834 5.266 -1.914
220 HB2 CYS 37 HB2 CYS 37 -3.877 7.969 -2.394
221 HB3 CYS 37 HB1 CYS 37 -3.314 7.906 -0.728
222 H GLN 38 HN GLN 38 -6.326 5.920 0.079
223 HA GLN 38 HA GLN 38 -4.880 5.801 2.587
224 HB2 GLN 38 HB2 GLN 38 -7.021 5.973 3.619
225 HB3 GLN 38 HB1 GLN 38 -7.022 7.075 2.255
226 HG2 GLN 38 HG2 GLN 38 -8.230 5.378 0.933
227 HG3 GLN 38 HG1 GLN 38 -8.308 4.362 2.372
228 HE21 GLN 38 HE21 GLN 38 -8.816 7.822 1.768
229 HE22 GLN 38 HE22 GLN 38 -10.388 7.892 2.480
230 H ASN 39 HN ASN 39 -6.165 3.723 0.262
231 HA ASN 39 HA ASN 39 -6.557 1.480 2.041
232 HB2 ASN 39 HB2 ASN 39 -7.651 2.100 -0.346
233 HB3 ASN 39 HB1 ASN 39 -6.390 0.987 -0.862
234 HD21 ASN 39 HD21 ASN 39 -9.430 1.332 0.645
235 HD22 ASN 39 HD22 ASN 39 -9.726 -0.343 0.953
236 H CYS 40 HN CYS 40 -4.139 2.614 -0.174
237 HA CYS 40 HA CYS 40 -2.541 0.386 -0.473
238 HB2 CYS 40 HB2 CYS 40 -2.200 2.491 -1.687
239 HB3 CYS 40 HB1 CYS 40 -1.642 3.258 -0.209
240 HA PRO 41 HA PRO 41 -0.103 2.013 3.604
241 HB2 PRO 41 HB2 PRO 41 -2.710 2.552 4.970
242 HB3 PRO 41 HB1 PRO 41 -1.126 3.289 5.242
243 HG2 PRO 41 HG2 PRO 41 -3.021 4.561 3.852
244 HG3 PRO 41 HG1 PRO 41 -1.308 4.683 3.411
245 HD2 PRO 41 HD2 PRO 41 -3.503 3.231 2.058
246 HD3 PRO 41 HD1 PRO 41 -1.998 3.884 1.392
247 H SER 42 HN SER 42 0.502 0.260 4.717
248 HA SER 42 HA SER 42 -0.882 -2.162 4.633
249 HB2 SER 42 HB2 SER 42 0.747 -2.586 6.733
250 HB3 SER 42 HB1 SER 42 1.324 -2.566 5.067
251 HG SER 42 HG SER 42 2.617 -1.216 6.301
252 H LYS 43 HN LYS 43 -2.679 -2.749 5.634
253 HA LYS 43 HA LYS 43 -3.062 -2.539 8.418
254 HB2 LYS 43 HB2 LYS 43 -3.465 -0.163 7.841
255 HB3 LYS 43 HB1 LYS 43 -4.764 -0.663 6.765
256 HG2 LYS 43 HG2 LYS 43 -6.178 -0.548 8.460
257 HG3 LYS 43 HG1 LYS 43 -5.291 -1.840 9.269
258 HD2 LYS 43 HD2 LYS 43 -4.183 -0.404 10.643
259 HD3 LYS 43 HD1 LYS 43 -4.154 0.890 9.443
260 HE2 LYS 43 HE2 LYS 43 -6.132 1.742 10.119
261 HE3 LYS 43 HE1 LYS 43 -6.817 0.154 10.464
262 HZ1 LYS 43 HZ1 LYS 43 -5.792 0.097 12.552
263 HZ2 LYS 43 HZ2 LYS 43 -6.400 1.669 12.426
264 HZ3 LYS 43 HZ3 LYS 43 -4.751 1.380 12.191
265 H THR 44 HN THR 44 -3.536 -4.723 8.135
266 HA THR 44 HA THR 44 -6.288 -5.295 7.581
267 HB THR 44 HB THR 44 -5.455 -7.190 5.919
268 HG1 THR 44 HG1 THR 44 -3.260 -6.500 6.045
269 HG21 THR 44 HG21 THR 44 -5.665 -4.430 4.785
270 HG22 THR 44 HG22 THR 44 -7.062 -5.260 5.472
271 HG23 THR 44 HG23 THR 44 -6.209 -5.961 4.097
272 H GLU 45 HN GLU 45 -6.951 -7.278 8.419
273 HA GLU 45 HA GLU 45 -4.876 -8.808 9.846
274 HB2 GLU 45 HB2 GLU 45 -7.009 -7.326 10.957
275 HB3 GLU 45 HB1 GLU 45 -7.434 -9.020 11.150
276 HG2 GLU 45 HG2 GLU 45 -5.118 -9.339 12.127
277 HG3 GLU 45 HG1 GLU 45 -5.015 -7.580 12.186
278 H GLN 46 HN GLN 46 -5.266 -9.777 7.501
279 HA GLN 46 HA GLN 46 -7.528 -11.427 7.115
280 HB2 GLN 46 HB2 GLN 46 -5.166 -10.749 5.674
281 HB3 GLN 46 HB1 GLN 46 -5.299 -12.502 5.709
282 HG2 GLN 46 HG2 GLN 46 -7.499 -12.404 4.742
283 HG3 GLN 46 HG1 GLN 46 -7.491 -10.643 4.824
284 HE21 GLN 46 HE21 GLN 46 -6.275 -13.445 3.182
285 HE22 GLN 46 HE22 GLN 46 -5.615 -12.614 1.818
286 HA PRO 47 HA PRO 47 -4.702 -15.122 8.487
287 HB2 PRO 47 HB2 PRO 47 -2.405 -14.419 9.813
288 HB3 PRO 47 HB1 PRO 47 -2.480 -14.769 8.082
289 HG2 PRO 47 HG2 PRO 47 -2.482 -12.126 9.486
290 HG3 PRO 47 HG1 PRO 47 -1.626 -12.611 8.009
291 HD2 PRO 47 HD2 PRO 47 -3.891 -11.157 7.923
292 HD3 PRO 47 HD1 PRO 47 -3.514 -12.373 6.688
293 H ASP 48 HN ASP 48 -4.174 -16.059 10.668
294 HA ASP 48 HA ASP 48 -5.102 -14.405 12.898
295 HB2 ASP 48 HB2 ASP 48 -7.016 -15.749 11.891
296 HB3 ASP 48 HB1 ASP 48 -6.175 -17.191 12.452
297 H PHE 49 HN PHE 49 -2.482 -15.081 12.412
298 HA PHE 49 HA PHE 49 -1.940 -16.872 14.667
299 HB2 PHE 49 HB2 PHE 49 -1.146 -17.271 11.866
300 HB3 PHE 49 HB1 PHE 49 0.177 -17.415 13.017
301 HD1 PHE 49 HD1 PHE 49 -0.831 -18.720 15.291
302 HD2 PHE 49 HD2 PHE 49 -1.932 -19.320 11.225
303 HE1 PHE 49 HE1 PHE 49 -1.543 -21.014 15.827
304 HE2 PHE 49 HE2 PHE 49 -2.647 -21.615 11.752
305 HZ PHE 49 HZ PHE 49 -2.453 -22.464 14.057
306 HA PRO 50 HA PRO 50 0.479 -13.363 15.985
307 HB2 PRO 50 HB2 PRO 50 2.005 -15.473 17.431
308 HB3 PRO 50 HB1 PRO 50 1.293 -13.976 18.046
309 HG2 PRO 50 HG2 PRO 50 0.145 -16.327 18.537
310 HG3 PRO 50 HG1 PRO 50 -0.833 -14.890 18.185
311 HD2 PRO 50 HD2 PRO 50 -0.179 -17.215 16.431
312 HD3 PRO 50 HD1 PRO 50 -1.679 -16.272 16.545
313 H TRP 51 HN TRP 51 2.116 -12.406 14.959
314 HA TRP 51 HA TRP 51 4.288 -14.089 13.896
315 HB2 TRP 51 HB2 TRP 51 2.552 -12.149 12.538
316 HB3 TRP 51 HB1 TRP 51 4.268 -11.903 12.233
317 HD1 TRP 51 HD1 TRP 51 3.264 -15.496 12.743
318 HE1 TRP 51 HE1 TRP 51 3.310 -16.730 10.485
319 HE3 TRP 51 HE3 TRP 51 3.819 -11.478 9.631
320 HZ2 TRP 51 HZ2 TRP 51 3.552 -16.086 7.747
321 HZ3 TRP 51 HZ3 TRP 51 3.951 -11.872 7.206
322 HH2 TRP 51 HH2 TRP 51 3.821 -14.130 6.286
323 H ILE 52 HN ILE 52 6.314 -12.837 13.464
324 HA ILE 52 HA ILE 52 6.904 -11.176 15.771
325 HB ILE 52 HB ILE 52 8.950 -11.769 13.688
326 HG12 ILE 52 HG12 ILE 52 9.193 -13.965 15.282
327 HG13 ILE 52 HG11 ILE 52 7.441 -13.810 15.192
328 HG21 ILE 52 HG21 ILE 52 10.115 -10.806 15.340
329 HG22 ILE 52 HG22 ILE 52 9.992 -12.367 16.149
330 HG23 ILE 52 HG23 ILE 52 8.841 -11.085 16.526
331 HD11 ILE 52 HD11 ILE 52 9.090 -15.045 13.357
332 HD12 ILE 52 HD12 ILE 52 8.680 -13.506 12.599
333 HD13 ILE 52 HD13 ILE 52 7.399 -14.600 13.122
334 H TRP 53 HN TRP 53 8.723 -9.406 15.096
335 HA TRP 53 HA TRP 53 9.190 -7.422 14.080
336 HB2 TRP 53 HB2 TRP 53 8.246 -9.032 11.957
337 HB3 TRP 53 HB1 TRP 53 7.440 -7.475 11.795
338 HD1 TRP 53 HD1 TRP 53 8.809 -5.570 10.719
339 HE1 TRP 53 HE1 TRP 53 11.257 -5.281 9.979
340 HE3 TRP 53 HE3 TRP 53 10.767 -9.857 12.702
341 HZ2 TRP 53 HZ2 TRP 53 13.695 -6.687 10.205
342 HZ3 TRP 53 HZ3 TRP 53 13.166 -10.309 12.394
343 HH2 TRP 53 HH2 TRP 53 14.598 -8.756 11.171
344 H VAL 54 HN VAL 54 8.299 -6.032 15.506
345 HA VAL 54 HA VAL 54 6.779 -4.675 16.538
346 HB VAL 54 HB VAL 54 5.906 -4.364 13.666
347 HG11 VAL 54 HG11 VAL 54 5.410 -2.548 16.024
348 HG12 VAL 54 HG12 VAL 54 4.196 -3.530 15.204
349 HG13 VAL 54 HG13 VAL 54 4.984 -2.205 14.347
350 HG21 VAL 54 HG21 VAL 54 7.970 -2.970 15.347
351 HG22 VAL 54 HG22 VAL 54 7.325 -2.273 13.860
352 HG23 VAL 54 HG23 VAL 54 8.192 -3.809 13.811
Start of MODEL 17
1 H1 SER 5 HT1 SER 5 -17.467 -3.461 -4.316
2 H2 SER 5 HT2 SER 5 -18.956 -4.303 -4.177
3 H3 SER 5 HT3 SER 5 -17.706 -4.923 -5.178
4 HA SER 5 HA SER 5 -17.378 -4.518 -2.291
5 HB2 SER 5 HB2 SER 5 -19.252 -6.000 -2.515
6 HB3 SER 5 HB1 SER 5 -18.466 -6.893 -3.817
7 HG SER 5 HG SER 5 -18.405 -7.850 -1.634
8 H GLN 6 HN GLN 6 -15.242 -4.407 -2.040
9 HA GLN 6 HA GLN 6 -13.570 -6.513 -3.103
10 HB2 GLN 6 HB2 GLN 6 -13.554 -3.776 -4.195
11 HB3 GLN 6 HB1 GLN 6 -11.969 -4.410 -3.773
12 HG2 GLN 6 HG2 GLN 6 -12.064 -6.079 -5.349
13 HG3 GLN 6 HG1 GLN 6 -13.826 -6.081 -5.396
14 HE21 GLN 6 HE21 GLN 6 -14.659 -3.753 -6.040
15 HE22 GLN 6 HE22 GLN 6 -13.950 -3.136 -7.490
16 H GLY 7 HN GLY 7 -12.997 -7.129 -1.068
17 HA2 GLY 7 HA2 GLY 7 -11.655 -5.092 0.602
18 HA3 GLY 7 HA1 GLY 7 -12.513 -6.481 1.251
19 H GLU 8 HN GLU 8 -10.365 -6.592 -1.526
20 HA GLU 8 HA GLU 8 -8.403 -8.057 0.110
21 HB2 GLU 8 HB2 GLU 8 -9.128 -8.750 -2.740
22 HB3 GLU 8 HB1 GLU 8 -8.070 -9.650 -1.660
23 HG2 GLU 8 HG2 GLU 8 -10.800 -9.242 -0.665
24 HG3 GLU 8 HG1 GLU 8 -10.668 -10.237 -2.115
25 H CYS 9 HN CYS 9 -8.184 -5.343 -0.398
26 HA CYS 9 HA CYS 9 -6.169 -5.172 -2.527
27 HB2 CYS 9 HB2 CYS 9 -8.248 -3.388 -1.621
28 HB3 CYS 9 HB1 CYS 9 -6.683 -2.589 -1.525
29 HA PRO 10 HA PRO 10 -3.558 -5.233 1.255
30 HB2 PRO 10 HB2 PRO 10 -1.404 -6.350 0.045
31 HB3 PRO 10 HB1 PRO 10 -2.765 -7.304 0.646
32 HG2 PRO 10 HG2 PRO 10 -2.177 -6.391 -2.145
33 HG3 PRO 10 HG1 PRO 10 -2.738 -7.977 -1.582
34 HD2 PRO 10 HD2 PRO 10 -4.412 -6.139 -2.652
35 HD3 PRO 10 HD1 PRO 10 -4.925 -7.275 -1.389
36 H GLU 11 HN GLU 11 -0.910 -4.765 1.088
37 HA GLU 11 HA GLU 11 -0.716 -2.014 0.712
38 HB2 GLU 11 HB2 GLU 11 0.828 -3.844 1.933
39 HB3 GLU 11 HB1 GLU 11 1.771 -3.612 0.467
40 HG2 GLU 11 HG2 GLU 11 0.993 -1.066 1.506
41 HG3 GLU 11 HG1 GLU 11 1.739 -2.024 2.784
42 H GLY 12 HN GLY 12 1.356 -1.242 -0.683
43 HA2 GLY 12 HA2 GLY 12 1.918 -0.555 -2.811
44 HA3 GLY 12 HA1 GLY 12 1.964 -2.279 -3.156
45 H ARG 13 HN ARG 13 -0.985 -0.760 -2.155
46 HA ARG 13 HA ARG 13 -2.075 -0.054 -4.647
47 HB2 ARG 13 HB2 ARG 13 -2.603 -2.044 -5.516
48 HB3 ARG 13 HB1 ARG 13 -1.867 -2.833 -4.129
49 HG2 ARG 13 HG2 ARG 13 -4.114 -2.286 -2.960
50 HG3 ARG 13 HG1 ARG 13 -4.709 -2.143 -4.614
51 HD2 ARG 13 HD2 ARG 13 -3.315 -4.545 -3.442
52 HD3 ARG 13 HD1 ARG 13 -5.043 -4.406 -3.738
53 HE ARG 13 HE ARG 13 -4.652 -4.573 -6.044
54 HH11 ARG 13 HH11 ARG 13 -1.684 -4.778 -4.205
55 HH12 ARG 13 HH12 ARG 13 -0.774 -5.430 -5.524
56 HH21 ARG 13 HH21 ARG 13 -3.449 -5.431 -7.768
57 HH22 ARG 13 HH22 ARG 13 -1.772 -5.801 -7.543
58 H ALA 14 HN ALA 14 -4.543 0.143 -4.478
59 HA ALA 14 HA ALA 14 -5.563 0.052 -1.785
60 HB1 ALA 14 HB1 ALA 14 -4.637 2.520 -2.981
61 HB2 ALA 14 HB2 ALA 14 -5.058 2.159 -1.309
62 HB3 ALA 14 HB3 ALA 14 -6.318 2.608 -2.456
63 H TYR 15 HN TYR 15 -7.821 1.407 -1.908
64 HA TYR 15 HA TYR 15 -9.272 0.554 -4.314
65 HB2 TYR 15 HB2 TYR 15 -9.744 -1.188 -2.732
66 HB3 TYR 15 HB1 TYR 15 -10.010 -0.026 -1.439
67 HD1 TYR 15 HD1 TYR 15 -12.057 1.429 -1.506
68 HD2 TYR 15 HD2 TYR 15 -11.509 -1.836 -4.181
69 HE1 TYR 15 HE1 TYR 15 -14.464 1.438 -2.003
70 HE2 TYR 15 HE2 TYR 15 -13.915 -1.833 -4.685
71 HH TYR 15 HH TYR 15 -15.812 -0.103 -4.602
72 H SER 16 HN SER 16 -10.120 2.359 -5.163
73 HA SER 16 HA SER 16 -10.597 4.661 -3.472
74 HB2 SER 16 HB2 SER 16 -10.033 5.747 -5.348
75 HB3 SER 16 HB1 SER 16 -10.037 4.232 -6.250
76 HG SER 16 HG SER 16 -12.193 4.535 -6.721
77 H GLN 17 HN GLN 17 -12.358 4.562 -2.266
78 HA GLN 17 HA GLN 17 -14.718 3.194 -2.906
79 HB2 GLN 17 HB2 GLN 17 -15.709 4.411 -1.015
80 HB3 GLN 17 HB1 GLN 17 -14.124 3.764 -0.615
81 HG2 GLN 17 HG2 GLN 17 -13.128 5.846 -0.599
82 HG3 GLN 17 HG1 GLN 17 -14.397 6.574 -1.582
83 HE21 GLN 17 HE21 GLN 17 -13.248 6.009 1.545
84 HE22 GLN 17 HE22 GLN 17 -14.597 6.641 2.421
85 H ASP 18 HN ASP 18 -13.602 6.376 -3.676
86 HA ASP 18 HA ASP 18 -16.043 7.610 -4.300
87 HB2 ASP 18 HB2 ASP 18 -13.221 8.152 -4.705
88 HB3 ASP 18 HB1 ASP 18 -14.165 8.634 -6.110
89 H LEU 19 HN LEU 19 -13.752 5.859 -6.380
90 HA LEU 19 HA LEU 19 -15.598 5.892 -8.585
91 HB2 LEU 19 HB2 LEU 19 -12.808 5.608 -8.288
92 HB3 LEU 19 HB1 LEU 19 -13.389 4.112 -8.994
93 HG LEU 19 HG LEU 19 -14.397 6.601 -10.235
94 HD11 LEU 19 HD11 LEU 19 -12.331 7.509 -10.272
95 HD12 LEU 19 HD12 LEU 19 -12.114 6.391 -11.619
96 HD13 LEU 19 HD13 LEU 19 -11.525 5.962 -10.013
97 HD21 LEU 19 HD21 LEU 19 -14.729 5.254 -11.994
98 HD22 LEU 19 HD22 LEU 19 -14.471 3.942 -10.844
99 HD23 LEU 19 HD23 LEU 19 -13.137 4.509 -11.849
100 H GLY 20 HN GLY 20 -14.573 3.747 -6.078
101 HA2 GLY 20 HA2 GLY 20 -15.630 1.835 -5.305
102 HA3 GLY 20 HA1 GLY 20 -16.747 1.944 -6.657
103 H LYS 21 HN LYS 21 -13.194 1.599 -6.485
104 HA LYS 21 HA LYS 21 -13.318 -1.101 -7.471
105 HB2 LYS 21 HB2 LYS 21 -11.888 -0.473 -9.520
106 HB3 LYS 21 HB1 LYS 21 -13.624 -0.211 -9.606
107 HG2 LYS 21 HG2 LYS 21 -13.329 2.145 -9.171
108 HG3 LYS 21 HG1 LYS 21 -11.594 1.915 -8.954
109 HD2 LYS 21 HD2 LYS 21 -12.645 0.889 -11.491
110 HD3 LYS 21 HD1 LYS 21 -12.796 2.636 -11.293
111 HE2 LYS 21 HE2 LYS 21 -10.387 2.735 -10.733
112 HE3 LYS 21 HE1 LYS 21 -10.270 1.006 -11.056
113 HZ1 LYS 21 HZ1 LYS 21 -9.690 1.777 -13.083
114 HZ2 LYS 21 HZ2 LYS 21 -10.538 3.231 -12.918
115 HZ3 LYS 21 HZ3 LYS 21 -11.366 1.811 -13.317
116 H CYS 22 HN CYS 22 -11.269 -2.145 -7.520
117 HA CYS 22 HA CYS 22 -9.371 -0.940 -5.676
118 HB2 CYS 22 HB2 CYS 22 -10.134 -3.638 -6.440
119 HB3 CYS 22 HB1 CYS 22 -8.386 -3.441 -6.463
120 H MET 23 HN MET 23 -7.457 -0.110 -6.231
121 HA MET 23 HA MET 23 -6.395 -0.680 -8.911
122 HB2 MET 23 HB2 MET 23 -5.548 1.873 -8.565
123 HB3 MET 23 HB1 MET 23 -6.998 1.434 -9.449
124 HG2 MET 23 HG2 MET 23 -7.301 1.817 -6.552
125 HG3 MET 23 HG1 MET 23 -6.921 3.251 -7.499
126 HE1 MET 23 HE1 MET 23 -10.029 4.128 -9.343
127 HE2 MET 23 HE2 MET 23 -8.297 3.965 -9.634
128 HE3 MET 23 HE3 MET 23 -8.874 4.753 -8.165
129 H GLU 24 HN GLU 24 -4.071 0.887 -8.682
130 HA GLU 24 HA GLU 24 -2.673 -0.584 -6.554
131 HB2 GLU 24 HB2 GLU 24 -0.667 -0.381 -7.921
132 HB3 GLU 24 HB1 GLU 24 -1.960 -1.170 -8.821
133 HG2 GLU 24 HG2 GLU 24 -2.448 1.150 -9.748
134 HG3 GLU 24 HG1 GLU 24 -0.874 1.591 -9.092
135 H CYS 25 HN CYS 25 -0.744 0.414 -5.681
136 HA CYS 25 HA CYS 25 -1.256 3.140 -4.899
137 HB2 CYS 25 HB2 CYS 25 0.075 1.005 -3.721
138 HB3 CYS 25 HB1 CYS 25 1.370 2.111 -4.151
139 H SER 26 HN SER 26 0.827 1.438 -7.100
140 HA SER 26 HA SER 26 2.770 3.347 -7.612
141 HB2 SER 26 HB2 SER 26 2.260 2.328 -10.117
142 HB3 SER 26 HB1 SER 26 3.290 1.560 -8.909
143 HG SER 26 HG SER 26 1.544 0.243 -9.855
144 H VAL 27 HN VAL 27 -0.616 3.309 -8.322
145 HA VAL 27 HA VAL 27 -0.605 5.273 -10.376
146 HB VAL 27 HB VAL 27 -2.796 4.420 -8.486
147 HG11 VAL 27 HG11 VAL 27 -3.473 6.565 -9.113
148 HG12 VAL 27 HG12 VAL 27 -4.274 5.515 -10.282
149 HG13 VAL 27 HG13 VAL 27 -2.818 6.397 -10.742
150 HG21 VAL 27 HG21 VAL 27 -3.369 2.846 -9.991
151 HG22 VAL 27 HG22 VAL 27 -1.691 3.011 -10.512
152 HG23 VAL 27 HG23 VAL 27 -2.968 3.870 -11.370
153 H CYS 28 HN CYS 28 -0.571 5.401 -6.909
154 HA CYS 28 HA CYS 28 -1.303 8.130 -6.635
155 HB2 CYS 28 HB2 CYS 28 0.246 6.348 -4.744
156 HB3 CYS 28 HB1 CYS 28 -0.441 7.914 -4.331
157 H LYS 29 HN LYS 29 0.272 9.698 -5.526
158 HA LYS 29 HA LYS 29 2.156 10.971 -5.570
159 HB2 LYS 29 HB2 LYS 29 3.600 8.571 -6.691
160 HB3 LYS 29 HB1 LYS 29 4.303 9.943 -5.847
161 HG2 LYS 29 HG2 LYS 29 3.877 9.077 -3.832
162 HG3 LYS 29 HG1 LYS 29 2.272 8.518 -4.303
163 HD2 LYS 29 HD2 LYS 29 3.751 6.797 -5.718
164 HD3 LYS 29 HD1 LYS 29 4.880 7.117 -4.399
165 HE2 LYS 29 HE2 LYS 29 2.018 6.451 -3.827
166 HE3 LYS 29 HE1 LYS 29 3.181 5.172 -4.175
167 HZ1 LYS 29 HZ1 LYS 29 4.398 5.653 -2.282
168 HZ2 LYS 29 HZ2 LYS 29 2.805 5.855 -1.751
169 HZ3 LYS 29 HZ3 LYS 29 3.752 7.209 -2.118
170 H ASN 30 HN ASN 30 2.461 8.829 -8.416
171 HA ASN 30 HA ASN 30 3.597 10.550 -10.190
172 HB2 ASN 30 HB2 ASN 30 1.549 8.386 -10.608
173 HB3 ASN 30 HB1 ASN 30 2.210 9.292 -11.966
174 HD21 ASN 30 HD21 ASN 30 4.726 9.497 -11.743
175 HD22 ASN 30 HD22 ASN 30 5.537 7.998 -11.463
176 H SER 31 HN SER 31 0.066 10.010 -10.166
177 HA SER 31 HA SER 31 -0.492 12.818 -10.268
178 HB2 SER 31 HB2 SER 31 0.176 11.826 -12.696
179 HB3 SER 31 HB1 SER 31 -1.556 11.493 -12.693
180 HG SER 31 HG SER 31 -1.875 13.531 -13.033
181 H GLU 32 HN GLU 32 -2.987 12.962 -11.131
182 HA GLU 32 HA GLU 32 -5.157 12.558 -10.589
183 HB2 GLU 32 HB2 GLU 32 -4.674 10.423 -11.798
184 HB3 GLU 32 HB1 GLU 32 -4.284 9.685 -10.252
185 HG2 GLU 32 HG2 GLU 32 -6.509 9.074 -10.831
186 HG3 GLU 32 HG1 GLU 32 -6.587 10.210 -9.487
187 H LYS 33 HN LYS 33 -5.411 13.649 -8.701
188 HA LYS 33 HA LYS 33 -4.390 12.747 -6.204
189 HB2 LYS 33 HB2 LYS 33 -6.660 14.696 -6.578
190 HB3 LYS 33 HB1 LYS 33 -5.523 14.603 -5.239
191 HG2 LYS 33 HG2 LYS 33 -3.997 14.975 -7.577
192 HG3 LYS 33 HG1 LYS 33 -5.346 16.110 -7.655
193 HD2 LYS 33 HD2 LYS 33 -4.741 16.691 -5.230
194 HD3 LYS 33 HD1 LYS 33 -3.219 15.858 -5.550
195 HE2 LYS 33 HE2 LYS 33 -3.404 17.477 -7.722
196 HE3 LYS 33 HE1 LYS 33 -4.185 18.468 -6.491
197 HZ1 LYS 33 HZ1 LYS 33 -2.265 18.503 -5.197
198 HZ2 LYS 33 HZ2 LYS 33 -1.682 18.692 -6.773
199 HZ3 LYS 33 HZ3 LYS 33 -1.565 17.190 -6.004
200 H SER 34 HN SER 34 -5.272 10.510 -6.495
201 HA SER 34 HA SER 34 -8.092 10.111 -6.131
202 HB2 SER 34 HB2 SER 34 -6.528 8.523 -7.338
203 HB3 SER 34 HB1 SER 34 -5.906 8.061 -5.755
204 HG SER 34 HG SER 34 -8.244 7.655 -5.272
205 H ASP 35 HN ASP 35 -9.109 9.175 -4.310
206 HA ASP 35 HA ASP 35 -7.828 9.916 -1.782
207 HB2 ASP 35 HB2 ASP 35 -10.316 10.497 -2.699
208 HB3 ASP 35 HB1 ASP 35 -10.651 9.039 -1.771
209 H PHE 36 HN PHE 36 -7.513 7.347 -3.458
210 HA PHE 36 HA PHE 36 -8.370 5.379 -1.474
211 HB2 PHE 36 HB2 PHE 36 -8.253 3.762 -3.138
212 HB3 PHE 36 HB1 PHE 36 -8.751 5.182 -4.044
213 HD1 PHE 36 HD2 PHE 36 -6.305 6.645 -4.488
214 HD2 PHE 36 HD1 PHE 36 -6.978 2.451 -4.492
215 HE1 PHE 36 HE2 PHE 36 -4.365 6.338 -5.964
216 HE2 PHE 36 HE1 PHE 36 -5.036 2.131 -5.960
217 HZ PHE 36 HZ PHE 36 -3.730 4.075 -6.694
218 H CYS 37 HN CYS 37 -5.555 7.063 -2.384
219 HA CYS 37 HA CYS 37 -3.609 5.127 -1.823
220 HB2 CYS 37 HB2 CYS 37 -3.370 8.067 -1.170
221 HB3 CYS 37 HB1 CYS 37 -2.064 6.943 -1.527
222 H GLN 38 HN GLN 38 -6.021 6.080 0.180
223 HA GLN 38 HA GLN 38 -4.446 6.017 2.619
224 HB2 GLN 38 HB2 GLN 38 -7.355 5.904 2.901
225 HB3 GLN 38 HB1 GLN 38 -6.207 7.025 3.616
226 HG2 GLN 38 HG2 GLN 38 -6.156 8.254 1.466
227 HG3 GLN 38 HG1 GLN 38 -7.411 7.170 0.867
228 HE21 GLN 38 HE21 GLN 38 -7.468 10.060 1.235
229 HE22 GLN 38 HE22 GLN 38 -8.788 10.384 2.303
230 H ASN 39 HN ASN 39 -5.939 3.888 0.492
231 HA ASN 39 HA ASN 39 -6.651 1.895 2.463
232 HB2 ASN 39 HB2 ASN 39 -7.289 2.342 -0.229
233 HB3 ASN 39 HB1 ASN 39 -6.356 0.848 -0.218
234 HD21 ASN 39 HD21 ASN 39 -7.680 -0.809 -0.268
235 HD22 ASN 39 HD22 ASN 39 -9.131 -0.983 0.655
236 H CYS 40 HN CYS 40 -4.075 2.489 0.194
237 HA CYS 40 HA CYS 40 -2.574 0.270 0.137
238 HB2 CYS 40 HB2 CYS 40 -1.734 3.145 0.406
239 HB3 CYS 40 HB1 CYS 40 -0.544 1.860 0.215
240 HA PRO 41 HA PRO 41 -0.401 1.348 4.435
241 HB2 PRO 41 HB2 PRO 41 -2.760 2.657 5.694
242 HB3 PRO 41 HB1 PRO 41 -1.040 3.005 5.894
243 HG2 PRO 41 HG2 PRO 41 -2.599 4.607 4.442
244 HG3 PRO 41 HG1 PRO 41 -0.931 4.259 3.951
245 HD2 PRO 41 HD2 PRO 41 -3.492 3.197 2.851
246 HD3 PRO 41 HD1 PRO 41 -1.982 3.596 2.015
247 H SER 42 HN SER 42 -0.400 -0.550 5.460
248 HA SER 42 HA SER 42 -2.909 -1.611 6.524
249 HB2 SER 42 HB2 SER 42 -2.271 -2.593 4.195
250 HB3 SER 42 HB1 SER 42 -1.042 -3.481 5.094
251 HG SER 42 HG SER 42 -3.844 -3.531 5.551
252 H LYS 43 HN LYS 43 -2.657 -3.067 8.264
253 HA LYS 43 HA LYS 43 -0.432 -2.525 9.932
254 HB2 LYS 43 HB2 LYS 43 -2.638 -4.576 10.156
255 HB3 LYS 43 HB1 LYS 43 -1.447 -4.279 11.415
256 HG2 LYS 43 HG2 LYS 43 -3.358 -2.217 10.335
257 HG3 LYS 43 HG1 LYS 43 -3.595 -3.143 11.818
258 HD2 LYS 43 HD2 LYS 43 -1.557 -2.188 12.755
259 HD3 LYS 43 HD1 LYS 43 -1.279 -1.290 11.262
260 HE2 LYS 43 HE2 LYS 43 -3.835 -0.967 12.790
261 HE3 LYS 43 HE1 LYS 43 -2.384 -0.088 13.270
262 HZ1 LYS 43 HZ1 LYS 43 -3.908 1.117 11.719
263 HZ2 LYS 43 HZ2 LYS 43 -3.487 -0.001 10.522
264 HZ3 LYS 43 HZ3 LYS 43 -2.304 1.003 11.192
265 H THR 44 HN THR 44 1.532 -3.245 9.395
266 HA THR 44 HA THR 44 2.159 -5.994 9.537
267 HB THR 44 HB THR 44 3.146 -5.794 7.022
268 HG1 THR 44 HG1 THR 44 1.434 -4.958 5.736
269 HG21 THR 44 HG21 THR 44 0.994 -7.204 8.260
270 HG22 THR 44 HG22 THR 44 2.020 -7.687 6.910
271 HG23 THR 44 HG23 THR 44 0.550 -6.759 6.613
272 H GLU 45 HN GLU 45 3.124 -2.820 8.324
273 HA GLU 45 HA GLU 45 5.029 -1.607 8.593
274 HB2 GLU 45 HB2 GLU 45 5.946 -3.677 10.585
275 HB3 GLU 45 HB1 GLU 45 6.412 -1.984 10.494
276 HG2 GLU 45 HG2 GLU 45 4.032 -1.401 11.020
277 HG3 GLU 45 HG1 GLU 45 3.756 -3.114 11.331
278 H GLN 46 HN GLN 46 6.412 -1.582 6.961
279 HA GLN 46 HA GLN 46 7.481 -3.988 5.832
280 HB2 GLN 46 HB2 GLN 46 8.714 -2.369 4.332
281 HB3 GLN 46 HB1 GLN 46 6.960 -2.249 4.303
282 HG2 GLN 46 HG2 GLN 46 6.959 -0.169 5.133
283 HG3 GLN 46 HG1 GLN 46 8.275 -0.507 6.258
284 HE21 GLN 46 HE21 GLN 46 7.745 1.742 4.372
285 HE22 GLN 46 HE22 GLN 46 9.182 1.874 3.423
286 HA PRO 47 HA PRO 47 10.955 -4.324 8.659
287 HB2 PRO 47 HB2 PRO 47 12.017 -5.842 6.318
288 HB3 PRO 47 HB1 PRO 47 11.985 -6.289 8.028
289 HG2 PRO 47 HG2 PRO 47 10.257 -7.368 6.318
290 HG3 PRO 47 HG1 PRO 47 9.752 -6.918 7.957
291 HD2 PRO 47 HD2 PRO 47 9.202 -5.558 5.362
292 HD3 PRO 47 HD1 PRO 47 8.181 -5.689 6.808
293 H ASP 48 HN ASP 48 13.060 -3.513 8.798
294 HA ASP 48 HA ASP 48 14.583 -2.556 6.642
295 HB2 ASP 48 HB2 ASP 48 12.568 -0.923 6.718
296 HB3 ASP 48 HB1 ASP 48 13.347 -0.271 8.157
297 H PHE 49 HN PHE 49 15.785 -3.918 8.265
298 HA PHE 49 HA PHE 49 17.475 -2.218 9.812
299 HB2 PHE 49 HB2 PHE 49 15.251 -3.432 11.141
300 HB3 PHE 49 HB1 PHE 49 16.738 -4.156 11.745
301 HD1 PHE 49 HD2 PHE 49 14.764 -1.093 11.496
302 HD2 PHE 49 HD1 PHE 49 18.358 -2.838 12.962
303 HE1 PHE 49 HE2 PHE 49 15.122 0.866 12.940
304 HE2 PHE 49 HE1 PHE 49 18.722 -0.882 14.410
305 HZ PHE 49 HZ PHE 49 17.102 0.975 14.399
306 HA PRO 50 HA PRO 50 19.064 -6.827 10.271
307 HB2 PRO 50 HB2 PRO 50 17.554 -8.567 8.698
308 HB3 PRO 50 HB1 PRO 50 17.470 -8.436 10.457
309 HG2 PRO 50 HG2 PRO 50 15.703 -7.224 8.377
310 HG3 PRO 50 HG1 PRO 50 15.278 -7.893 9.964
311 HD2 PRO 50 HD2 PRO 50 15.397 -5.250 9.565
312 HD3 PRO 50 HD1 PRO 50 15.950 -5.972 11.089
313 H TRP 51 HN TRP 51 20.575 -5.668 8.957
314 HA TRP 51 HA TRP 51 20.492 -6.447 6.123
315 HB2 TRP 51 HB2 TRP 51 20.547 -3.875 7.184
316 HB3 TRP 51 HB1 TRP 51 22.197 -4.180 6.664
317 HD1 TRP 51 HD1 TRP 51 18.663 -3.722 5.294
318 HE1 TRP 51 HE1 TRP 51 18.800 -3.359 2.750
319 HE3 TRP 51 HE3 TRP 51 23.630 -4.709 4.598
320 HZ2 TRP 51 HZ2 TRP 51 20.754 -3.475 0.717
321 HZ3 TRP 51 HZ3 TRP 51 24.554 -4.561 2.323
322 HH2 TRP 51 HH2 TRP 51 23.145 -3.957 0.423
323 H ILE 52 HN ILE 52 21.682 -7.610 8.565
324 HA ILE 52 HA ILE 52 24.541 -7.491 8.062
325 HB ILE 52 HB ILE 52 22.906 -8.889 10.177
326 HG12 ILE 52 HG12 ILE 52 24.068 -7.391 11.700
327 HG13 ILE 52 HG11 ILE 52 25.055 -6.768 10.384
328 HG21 ILE 52 HG21 ILE 52 25.189 -9.457 11.170
329 HG22 ILE 52 HG22 ILE 52 25.830 -9.172 9.552
330 HG23 ILE 52 HG23 ILE 52 24.630 -10.437 9.815
331 HD11 ILE 52 HD11 ILE 52 22.067 -6.501 10.460
332 HD12 ILE 52 HD12 ILE 52 23.208 -5.669 9.404
333 HD13 ILE 52 HD13 ILE 52 23.170 -5.297 11.127
334 H TRP 53 HN TRP 53 25.681 -8.973 6.978
335 HA TRP 53 HA TRP 53 26.185 -10.774 5.684
336 HB2 TRP 53 HB2 TRP 53 25.224 -11.803 8.016
337 HB3 TRP 53 HB1 TRP 53 24.137 -12.548 6.849
338 HD1 TRP 53 HD1 TRP 53 27.631 -12.772 8.206
339 HE1 TRP 53 HE1 TRP 53 28.888 -14.695 7.046
340 HE3 TRP 53 HE3 TRP 53 24.301 -13.775 4.459
341 HZ2 TRP 53 HZ2 TRP 53 28.517 -16.410 4.834
342 HZ3 TRP 53 HZ3 TRP 53 24.827 -15.572 2.863
343 HH2 TRP 53 HH2 TRP 53 26.892 -16.861 3.047
344 H VAL 54 HN VAL 54 25.529 -10.212 3.673
345 HA VAL 54 HA VAL 54 22.883 -11.180 2.837
346 HB VAL 54 HB VAL 54 24.089 -8.599 1.840
347 HG11 VAL 54 HG11 VAL 54 22.238 -8.345 0.522
348 HG12 VAL 54 HG12 VAL 54 21.217 -9.324 1.575
349 HG13 VAL 54 HG13 VAL 54 22.382 -10.102 0.505
350 HG21 VAL 54 HG21 VAL 54 21.726 -8.826 3.683
351 HG22 VAL 54 HG22 VAL 54 22.637 -7.384 3.238
352 HG23 VAL 54 HG23 VAL 54 23.370 -8.603 4.281
Start of MODEL 18
1 H1 SER 5 HT1 SER 5 -15.032 -12.348 -3.313
2 H2 SER 5 HT2 SER 5 -15.739 -11.041 -4.171
3 H3 SER 5 HT3 SER 5 -16.732 -12.127 -3.288
4 HA SER 5 HA SER 5 -16.579 -10.209 -2.027
5 HB2 SER 5 HB2 SER 5 -14.465 -11.856 -0.715
6 HB3 SER 5 HB1 SER 5 -15.963 -11.210 -0.045
7 HG SER 5 HG SER 5 -15.523 -13.650 -0.905
8 H GLN 6 HN GLN 6 -15.363 -8.532 -1.033
9 HA GLN 6 HA GLN 6 -12.933 -7.875 -2.517
10 HB2 GLN 6 HB2 GLN 6 -14.964 -6.301 -0.995
11 HB3 GLN 6 HB1 GLN 6 -13.346 -5.636 -1.174
12 HG2 GLN 6 HG2 GLN 6 -14.592 -6.649 -3.639
13 HG3 GLN 6 HG1 GLN 6 -15.346 -5.227 -2.920
14 HE21 GLN 6 HE21 GLN 6 -11.952 -6.202 -2.990
15 HE22 GLN 6 HE22 GLN 6 -11.384 -4.809 -3.838
16 H GLY 7 HN GLY 7 -11.475 -6.315 -0.987
17 HA2 GLY 7 HA2 GLY 7 -10.384 -6.104 1.118
18 HA3 GLY 7 HA1 GLY 7 -11.052 -7.659 1.587
19 H GLU 8 HN GLU 8 -9.429 -6.975 -1.457
20 HA GLU 8 HA GLU 8 -7.089 -8.494 -0.547
21 HB2 GLU 8 HB2 GLU 8 -8.556 -8.994 -3.145
22 HB3 GLU 8 HB1 GLU 8 -7.070 -9.784 -2.635
23 HG2 GLU 8 HG2 GLU 8 -9.381 -9.976 -0.803
24 HG3 GLU 8 HG1 GLU 8 -9.480 -10.869 -2.319
25 H CYS 9 HN CYS 9 -6.997 -5.835 -0.636
26 HA CYS 9 HA CYS 9 -5.387 -5.295 -3.037
27 HB2 CYS 9 HB2 CYS 9 -7.291 -3.345 -1.722
28 HB3 CYS 9 HB1 CYS 9 -6.255 -3.003 -3.104
29 HA PRO 10 HA PRO 10 -3.226 -4.032 0.940
30 HB2 PRO 10 HB2 PRO 10 -1.700 -6.128 1.498
31 HB3 PRO 10 HB1 PRO 10 -3.422 -6.144 1.903
32 HG2 PRO 10 HG2 PRO 10 -2.010 -7.419 -0.408
33 HG3 PRO 10 HG1 PRO 10 -3.294 -8.081 0.620
34 HD2 PRO 10 HD2 PRO 10 -3.692 -6.934 -1.872
35 HD3 PRO 10 HD1 PRO 10 -4.936 -7.107 -0.620
36 H GLU 11 HN GLU 11 -1.688 -2.616 0.407
37 HA GLU 11 HA GLU 11 0.151 -1.646 -0.496
38 HB2 GLU 11 HB2 GLU 11 1.070 -3.590 0.905
39 HB3 GLU 11 HB1 GLU 11 1.368 -4.388 -0.632
40 HG2 GLU 11 HG2 GLU 11 3.393 -3.371 -0.098
41 HG3 GLU 11 HG1 GLU 11 2.658 -2.290 -1.281
42 H GLY 12 HN GLY 12 1.366 -1.268 -2.397
43 HA2 GLY 12 HA2 GLY 12 1.793 -1.294 -4.654
44 HA3 GLY 12 HA1 GLY 12 1.235 -2.958 -4.679
45 H ARG 13 HN ARG 13 -1.212 -1.198 -3.334
46 HA ARG 13 HA ARG 13 -2.396 0.041 -5.588
47 HB2 ARG 13 HB2 ARG 13 -3.118 -1.807 -6.633
48 HB3 ARG 13 HB1 ARG 13 -2.660 -2.826 -5.280
49 HG2 ARG 13 HG2 ARG 13 -4.814 -1.937 -4.178
50 HG3 ARG 13 HG1 ARG 13 -5.251 -1.477 -5.828
51 HD2 ARG 13 HD2 ARG 13 -4.206 -4.212 -5.410
52 HD3 ARG 13 HD1 ARG 13 -5.823 -3.875 -4.809
53 HE ARG 13 HE ARG 13 -6.345 -3.136 -7.133
54 HH11 ARG 13 HH11 ARG 13 -3.757 -5.419 -6.553
55 HH12 ARG 13 HH12 ARG 13 -3.854 -6.109 -8.135
56 HH21 ARG 13 HH21 ARG 13 -6.463 -4.051 -9.207
57 HH22 ARG 13 HH22 ARG 13 -5.384 -5.335 -9.640
58 H ALA 14 HN ALA 14 -4.835 0.449 -5.095
59 HA ALA 14 HA ALA 14 -5.403 0.331 -2.251
60 HB1 ALA 14 HB1 ALA 14 -6.269 2.858 -2.778
61 HB2 ALA 14 HB2 ALA 14 -4.766 2.776 -3.698
62 HB3 ALA 14 HB3 ALA 14 -4.762 2.443 -1.965
63 H TYR 15 HN TYR 15 -7.659 1.637 -1.957
64 HA TYR 15 HA TYR 15 -9.530 0.709 -4.031
65 HB2 TYR 15 HB2 TYR 15 -9.625 -0.956 -2.274
66 HB3 TYR 15 HB1 TYR 15 -9.760 0.289 -1.043
67 HD1 TYR 15 HD1 TYR 15 -11.551 -1.546 -3.668
68 HD2 TYR 15 HD2 TYR 15 -11.861 1.427 -0.638
69 HE1 TYR 15 HE1 TYR 15 -14.001 -1.667 -3.808
70 HE2 TYR 15 HE2 TYR 15 -14.313 1.311 -0.770
71 HH TYR 15 HH TYR 15 -15.945 -0.346 -3.291
72 H SER 16 HN SER 16 -10.503 2.504 -4.783
73 HA SER 16 HA SER 16 -10.903 4.757 -2.964
74 HB2 SER 16 HB2 SER 16 -11.801 5.599 -5.433
75 HB3 SER 16 HB1 SER 16 -10.173 5.848 -4.800
76 HG SER 16 HG SER 16 -9.626 4.747 -6.511
77 H GLN 17 HN GLN 17 -12.662 4.466 -1.775
78 HA GLN 17 HA GLN 17 -14.979 3.109 -2.500
79 HB2 GLN 17 HB2 GLN 17 -16.032 4.248 -0.592
80 HB3 GLN 17 HB1 GLN 17 -14.438 3.625 -0.189
81 HG2 GLN 17 HG2 GLN 17 -13.624 5.649 0.254
82 HG3 GLN 17 HG1 GLN 17 -14.401 6.375 -1.152
83 HE21 GLN 17 HE21 GLN 17 -14.355 6.225 2.169
84 HE22 GLN 17 HE22 GLN 17 -15.890 6.947 2.495
85 H ASP 18 HN ASP 18 -13.941 6.332 -3.202
86 HA ASP 18 HA ASP 18 -16.424 7.499 -3.819
87 HB2 ASP 18 HB2 ASP 18 -13.864 8.411 -3.733
88 HB3 ASP 18 HB1 ASP 18 -14.122 8.330 -5.473
89 H LEU 19 HN LEU 19 -14.052 5.826 -5.861
90 HA LEU 19 HA LEU 19 -15.802 5.907 -8.140
91 HB2 LEU 19 HB2 LEU 19 -13.013 5.448 -7.670
92 HB3 LEU 19 HB1 LEU 19 -13.668 4.121 -8.611
93 HG LEU 19 HG LEU 19 -14.335 6.879 -9.499
94 HD11 LEU 19 HD11 LEU 19 -11.838 6.731 -8.868
95 HD12 LEU 19 HD12 LEU 19 -12.277 7.342 -10.463
96 HD13 LEU 19 HD13 LEU 19 -11.705 5.684 -10.282
97 HD21 LEU 19 HD21 LEU 19 -14.723 5.882 -11.486
98 HD22 LEU 19 HD22 LEU 19 -14.870 4.437 -10.486
99 HD23 LEU 19 HD23 LEU 19 -13.356 4.779 -11.325
100 H GLY 20 HN GLY 20 -14.933 3.712 -5.619
101 HA2 GLY 20 HA2 GLY 20 -16.042 1.794 -4.938
102 HA3 GLY 20 HA1 GLY 20 -17.088 1.941 -6.342
103 H LYS 21 HN LYS 21 -13.552 1.597 -6.047
104 HA LYS 21 HA LYS 21 -13.529 -1.107 -6.910
105 HB2 LYS 21 HB2 LYS 21 -12.459 -0.713 -9.130
106 HB3 LYS 21 HB1 LYS 21 -14.149 -0.233 -9.059
107 HG2 LYS 21 HG2 LYS 21 -13.472 2.101 -8.782
108 HG3 LYS 21 HG1 LYS 21 -11.778 1.614 -8.868
109 HD2 LYS 21 HD2 LYS 21 -13.836 1.228 -11.043
110 HD3 LYS 21 HD1 LYS 21 -12.588 2.477 -11.018
111 HE2 LYS 21 HE2 LYS 21 -11.490 0.942 -12.277
112 HE3 LYS 21 HE1 LYS 21 -11.032 0.338 -10.685
113 HZ1 LYS 21 HZ1 LYS 21 -13.252 -1.008 -10.991
114 HZ2 LYS 21 HZ2 LYS 21 -11.790 -1.568 -11.630
115 HZ3 LYS 21 HZ3 LYS 21 -12.904 -0.784 -12.632
116 H CYS 22 HN CYS 22 -11.276 -1.851 -7.418
117 HA CYS 22 HA CYS 22 -9.404 -0.386 -5.705
118 HB2 CYS 22 HB2 CYS 22 -9.853 -3.225 -6.335
119 HB3 CYS 22 HB1 CYS 22 -8.159 -2.751 -6.279
120 H MET 23 HN MET 23 -7.861 0.797 -6.606
121 HA MET 23 HA MET 23 -6.941 0.093 -9.301
122 HB2 MET 23 HB2 MET 23 -7.721 2.182 -9.755
123 HB3 MET 23 HB1 MET 23 -7.703 2.663 -8.065
124 HG2 MET 23 HG2 MET 23 -5.270 2.952 -8.217
125 HG3 MET 23 HG1 MET 23 -5.359 2.593 -9.937
126 HE1 MET 23 HE1 MET 23 -7.299 3.563 -11.218
127 HE2 MET 23 HE2 MET 23 -6.872 5.209 -11.687
128 HE3 MET 23 HE3 MET 23 -8.281 4.921 -10.668
129 H GLU 24 HN GLU 24 -4.628 0.628 -9.681
130 HA GLU 24 HA GLU 24 -3.022 -0.457 -7.638
131 HB2 GLU 24 HB2 GLU 24 -1.133 0.054 -9.094
132 HB3 GLU 24 HB1 GLU 24 -2.446 -0.681 -10.013
133 HG2 GLU 24 HG2 GLU 24 -3.083 1.856 -10.369
134 HG3 GLU 24 HG1 GLU 24 -1.360 2.063 -10.067
135 H CYS 25 HN CYS 25 -1.090 0.500 -6.815
136 HA CYS 25 HA CYS 25 -1.602 3.124 -5.684
137 HB2 CYS 25 HB2 CYS 25 -0.496 0.891 -4.602
138 HB3 CYS 25 HB1 CYS 25 0.954 1.770 -5.068
139 H SER 26 HN SER 26 0.442 1.576 -8.031
140 HA SER 26 HA SER 26 2.506 3.387 -8.317
141 HB2 SER 26 HB2 SER 26 1.099 1.507 -10.134
142 HB3 SER 26 HB1 SER 26 2.041 2.779 -10.912
143 HG SER 26 HG SER 26 3.410 1.075 -10.575
144 H VAL 27 HN VAL 27 -0.868 3.701 -9.036
145 HA VAL 27 HA VAL 27 -0.815 5.836 -10.854
146 HB VAL 27 HB VAL 27 -2.855 5.152 -8.736
147 HG11 VAL 27 HG11 VAL 27 -2.667 7.480 -10.444
148 HG12 VAL 27 HG12 VAL 27 -3.789 7.136 -9.128
149 HG13 VAL 27 HG13 VAL 27 -4.140 6.561 -10.759
150 HG21 VAL 27 HG21 VAL 27 -2.188 3.778 -11.000
151 HG22 VAL 27 HG22 VAL 27 -3.518 4.791 -11.563
152 HG23 VAL 27 HG23 VAL 27 -3.753 3.707 -10.192
153 H CYS 28 HN CYS 28 -0.375 5.741 -7.412
154 HA CYS 28 HA CYS 28 0.274 8.575 -7.443
155 HB2 CYS 28 HB2 CYS 28 -0.994 9.087 -5.570
156 HB3 CYS 28 HB1 CYS 28 -2.030 7.947 -6.416
157 H LYS 29 HN LYS 29 2.202 9.042 -6.585
158 HA LYS 29 HA LYS 29 3.334 7.381 -4.497
159 HB2 LYS 29 HB2 LYS 29 5.524 7.261 -5.891
160 HB3 LYS 29 HB1 LYS 29 4.245 6.096 -6.198
161 HG2 LYS 29 HG2 LYS 29 4.198 6.694 -8.324
162 HG3 LYS 29 HG1 LYS 29 3.791 8.347 -7.865
163 HD2 LYS 29 HD2 LYS 29 6.289 8.669 -7.458
164 HD3 LYS 29 HD1 LYS 29 6.509 7.145 -8.320
165 HE2 LYS 29 HE2 LYS 29 4.853 9.295 -9.557
166 HE3 LYS 29 HE1 LYS 29 6.610 9.437 -9.592
167 HZ1 LYS 29 HZ1 LYS 29 4.892 7.411 -10.863
168 HZ2 LYS 29 HZ2 LYS 29 6.499 7.039 -10.493
169 HZ3 LYS 29 HZ3 LYS 29 6.148 8.321 -11.539
170 H ASN 30 HN ASN 30 4.062 9.984 -6.820
171 HA ASN 30 HA ASN 30 5.632 11.353 -4.771
172 HB2 ASN 30 HB2 ASN 30 5.955 11.091 -7.516
173 HB3 ASN 30 HB1 ASN 30 5.368 12.740 -7.324
174 HD21 ASN 30 HD21 ASN 30 6.467 13.852 -5.344
175 HD22 ASN 30 HD22 ASN 30 8.191 13.728 -5.319
176 H SER 31 HN SER 31 3.060 12.189 -7.097
177 HA SER 31 HA SER 31 2.257 14.400 -5.352
178 HB2 SER 31 HB2 SER 31 1.661 13.728 -8.232
179 HB3 SER 31 HB1 SER 31 0.759 14.965 -7.358
180 HG SER 31 HG SER 31 2.935 15.856 -6.875
181 H GLU 32 HN GLU 32 1.606 12.271 -4.040
182 HA GLU 32 HA GLU 32 -0.686 10.835 -4.653
183 HB2 GLU 32 HB2 GLU 32 0.904 10.439 -2.733
184 HB3 GLU 32 HB1 GLU 32 0.083 11.738 -1.878
185 HG2 GLU 32 HG2 GLU 32 -1.974 10.514 -1.866
186 HG3 GLU 32 HG1 GLU 32 -1.285 9.263 -2.900
187 H LYS 33 HN LYS 33 -2.512 11.764 -5.352
188 HA LYS 33 HA LYS 33 -3.772 13.751 -3.597
189 HB2 LYS 33 HB2 LYS 33 -4.670 14.872 -5.668
190 HB3 LYS 33 HB1 LYS 33 -2.943 15.065 -5.403
191 HG2 LYS 33 HG2 LYS 33 -2.871 12.901 -6.953
192 HG3 LYS 33 HG1 LYS 33 -4.386 13.601 -7.527
193 HD2 LYS 33 HD2 LYS 33 -1.889 15.248 -7.276
194 HD3 LYS 33 HD1 LYS 33 -2.219 14.286 -8.718
195 HE2 LYS 33 HE2 LYS 33 -4.332 16.116 -7.682
196 HE3 LYS 33 HE1 LYS 33 -2.968 16.800 -8.566
197 HZ1 LYS 33 HZ1 LYS 33 -5.075 14.987 -9.518
198 HZ2 LYS 33 HZ2 LYS 33 -3.560 14.953 -10.269
199 HZ3 LYS 33 HZ3 LYS 33 -4.457 16.387 -10.241
200 H SER 34 HN SER 34 -4.193 10.953 -3.684
201 HA SER 34 HA SER 34 -6.930 10.826 -4.767
202 HB2 SER 34 HB2 SER 34 -5.414 8.334 -4.182
203 HB3 SER 34 HB1 SER 34 -6.625 8.643 -5.423
204 HG SER 34 HG SER 34 -5.102 9.672 -6.648
205 H ASP 35 HN ASP 35 -8.431 9.475 -3.545
206 HA ASP 35 HA ASP 35 -8.042 9.861 -0.684
207 HB2 ASP 35 HB2 ASP 35 -10.528 8.858 -2.077
208 HB3 ASP 35 HB1 ASP 35 -10.402 9.548 -0.461
209 H PHE 36 HN PHE 36 -7.641 7.384 -2.933
210 HA PHE 36 HA PHE 36 -8.221 5.297 -0.974
211 HB2 PHE 36 HB2 PHE 36 -8.352 3.772 -2.723
212 HB3 PHE 36 HB1 PHE 36 -9.067 5.230 -3.389
213 HD1 PHE 36 HD1 PHE 36 -6.429 6.687 -3.953
214 HD2 PHE 36 HD2 PHE 36 -7.754 2.713 -4.706
215 HE1 PHE 36 HE1 PHE 36 -4.878 6.530 -5.853
216 HE2 PHE 36 HE2 PHE 36 -6.205 2.551 -6.599
217 HZ PHE 36 HZ PHE 36 -4.766 4.459 -7.180
218 H CYS 37 HN CYS 37 -5.508 6.978 -2.161
219 HA CYS 37 HA CYS 37 -3.584 4.935 -2.055
220 HB2 CYS 37 HB2 CYS 37 -3.243 7.853 -1.324
221 HB3 CYS 37 HB1 CYS 37 -1.935 6.726 -1.669
222 H GLN 38 HN GLN 38 -5.649 5.782 0.341
223 HA GLN 38 HA GLN 38 -3.768 5.435 2.523
224 HB2 GLN 38 HB2 GLN 38 -6.606 5.411 3.209
225 HB3 GLN 38 HB1 GLN 38 -5.319 6.437 3.826
226 HG2 GLN 38 HG2 GLN 38 -5.527 7.822 1.780
227 HG3 GLN 38 HG1 GLN 38 -6.906 6.831 1.306
228 HE21 GLN 38 HE21 GLN 38 -7.889 9.036 1.336
229 HE22 GLN 38 HE22 GLN 38 -8.587 9.575 2.822
230 H ASN 39 HN ASN 39 -5.603 3.568 0.438
231 HA ASN 39 HA ASN 39 -6.155 1.425 2.301
232 HB2 ASN 39 HB2 ASN 39 -7.301 2.133 -0.056
233 HB3 ASN 39 HB1 ASN 39 -6.229 0.842 -0.587
234 HD21 ASN 39 HD21 ASN 39 -9.053 1.661 1.203
235 HD22 ASN 39 HD22 ASN 39 -9.573 0.048 1.536
236 H CYS 40 HN CYS 40 -3.925 2.150 -0.268
237 HA CYS 40 HA CYS 40 -2.507 -0.040 -0.777
238 HB2 CYS 40 HB2 CYS 40 -1.502 2.737 -0.202
239 HB3 CYS 40 HB1 CYS 40 -0.436 1.465 -0.788
240 HA PRO 41 HA PRO 41 0.202 0.333 3.293
241 HB2 PRO 41 HB2 PRO 41 -1.795 1.602 5.080
242 HB3 PRO 41 HB1 PRO 41 -0.053 1.875 4.964
243 HG2 PRO 41 HG2 PRO 41 -1.793 3.670 4.027
244 HG3 PRO 41 HG1 PRO 41 -0.267 3.341 3.186
245 HD2 PRO 41 HD2 PRO 41 -3.032 2.420 2.523
246 HD3 PRO 41 HD1 PRO 41 -1.732 2.949 1.443
247 H SER 42 HN SER 42 -0.019 -1.843 3.485
248 HA SER 42 HA SER 42 -2.459 -3.135 4.166
249 HB2 SER 42 HB2 SER 42 -0.236 -4.019 2.987
250 HB3 SER 42 HB1 SER 42 0.143 -4.511 4.637
251 HG SER 42 HG SER 42 -1.362 -5.992 4.546
252 H LYS 43 HN LYS 43 0.606 -3.132 5.991
253 HA LYS 43 HA LYS 43 -0.450 -2.186 8.400
254 HB2 LYS 43 HB2 LYS 43 -1.332 -4.771 7.889
255 HB3 LYS 43 HB1 LYS 43 0.020 -5.002 8.989
256 HG2 LYS 43 HG2 LYS 43 -1.781 -2.862 9.812
257 HG3 LYS 43 HG1 LYS 43 -2.560 -4.443 9.712
258 HD2 LYS 43 HD2 LYS 43 -0.632 -5.339 11.079
259 HD3 LYS 43 HD1 LYS 43 -0.155 -3.662 11.347
260 HE2 LYS 43 HE2 LYS 43 -2.336 -3.202 12.354
261 HE3 LYS 43 HE1 LYS 43 -2.819 -4.874 12.077
262 HZ1 LYS 43 HZ1 LYS 43 -0.358 -4.423 13.581
263 HZ2 LYS 43 HZ2 LYS 43 -1.533 -5.626 13.767
264 HZ3 LYS 43 HZ3 LYS 43 -1.816 -4.069 14.364
265 H THR 44 HN THR 44 1.091 -2.145 10.091
266 HA THR 44 HA THR 44 3.770 -2.020 9.237
267 HB THR 44 HB THR 44 2.951 -0.656 11.078
268 HG1 THR 44 HG1 THR 44 4.913 -2.508 11.952
269 HG21 THR 44 HG21 THR 44 1.975 -1.377 12.953
270 HG22 THR 44 HG22 THR 44 3.025 -2.787 13.084
271 HG23 THR 44 HG23 THR 44 1.632 -2.822 12.004
272 H GLU 45 HN GLU 45 4.230 -4.070 8.325
273 HA GLU 45 HA GLU 45 4.862 -6.115 10.342
274 HB2 GLU 45 HB2 GLU 45 3.915 -6.772 7.554
275 HB3 GLU 45 HB1 GLU 45 4.139 -7.877 8.904
276 HG2 GLU 45 HG2 GLU 45 2.310 -6.621 10.089
277 HG3 GLU 45 HG1 GLU 45 2.007 -5.789 8.564
278 H GLN 46 HN GLN 46 6.931 -4.832 10.125
279 HA GLN 46 HA GLN 46 8.460 -5.468 7.724
280 HB2 GLN 46 HB2 GLN 46 9.317 -3.850 10.128
281 HB3 GLN 46 HB1 GLN 46 10.127 -3.933 8.570
282 HG2 GLN 46 HG2 GLN 46 8.420 -2.720 7.499
283 HG3 GLN 46 HG1 GLN 46 7.324 -2.910 8.867
284 HE21 GLN 46 HE21 GLN 46 7.436 -0.465 8.151
285 HE22 GLN 46 HE22 GLN 46 8.484 0.503 9.126
286 HA PRO 47 HA PRO 47 10.467 -8.937 9.607
287 HB2 PRO 47 HB2 PRO 47 12.816 -8.404 7.932
288 HB3 PRO 47 HB1 PRO 47 11.696 -9.767 7.887
289 HG2 PRO 47 HG2 PRO 47 11.763 -7.896 5.948
290 HG3 PRO 47 HG1 PRO 47 10.264 -8.713 6.427
291 HD2 PRO 47 HD2 PRO 47 11.253 -5.982 7.160
292 HD3 PRO 47 HD1 PRO 47 9.614 -6.507 6.721
293 H ASP 48 HN ASP 48 10.656 -6.945 11.369
294 HA ASP 48 HA ASP 48 11.914 -5.965 12.996
295 HB2 ASP 48 HB2 ASP 48 13.708 -8.340 12.448
296 HB3 ASP 48 HB1 ASP 48 13.719 -7.355 13.908
297 H PHE 49 HN PHE 49 12.345 -4.886 10.448
298 HA PHE 49 HA PHE 49 15.233 -4.407 10.319
299 HB2 PHE 49 HB2 PHE 49 13.162 -4.621 8.357
300 HB3 PHE 49 HB1 PHE 49 13.872 -3.014 8.250
301 HD1 PHE 49 HD1 PHE 49 14.812 -6.609 8.404
302 HD2 PHE 49 HD2 PHE 49 15.833 -2.701 7.066
303 HE1 PHE 49 HE1 PHE 49 16.714 -7.540 7.151
304 HE2 PHE 49 HE2 PHE 49 17.736 -3.624 5.810
305 HZ PHE 49 HZ PHE 49 18.178 -6.046 5.851
306 HA PRO 50 HA PRO 50 14.042 -0.601 12.530
307 HB2 PRO 50 HB2 PRO 50 16.502 -0.088 13.527
308 HB3 PRO 50 HB1 PRO 50 15.412 -1.273 14.258
309 HG2 PRO 50 HG2 PRO 50 17.720 -1.714 12.401
310 HG3 PRO 50 HG1 PRO 50 17.279 -2.608 13.868
311 HD2 PRO 50 HD2 PRO 50 16.697 -3.503 11.374
312 HD3 PRO 50 HD1 PRO 50 15.671 -3.847 12.782
313 H TRP 51 HN TRP 51 14.039 -0.207 9.948
314 HA TRP 51 HA TRP 51 14.517 1.249 8.270
315 HB2 TRP 51 HB2 TRP 51 14.993 2.676 10.738
316 HB3 TRP 51 HB1 TRP 51 16.070 3.256 9.472
317 HD1 TRP 51 HD1 TRP 51 14.924 4.396 7.314
318 HE1 TRP 51 HE1 TRP 51 12.623 5.507 7.004
319 HE3 TRP 51 HE3 TRP 51 12.568 2.557 11.463
320 HZ2 TRP 51 HZ2 TRP 51 10.139 5.593 8.341
321 HZ3 TRP 51 HZ3 TRP 51 10.230 3.204 11.875
322 HH2 TRP 51 HH2 TRP 51 9.042 4.690 10.346
323 H ILE 52 HN ILE 52 16.467 2.569 7.271
324 HA ILE 52 HA ILE 52 18.707 0.685 7.195
325 HB ILE 52 HB ILE 52 17.795 2.829 5.279
326 HG12 ILE 52 HG12 ILE 52 17.529 0.976 3.731
327 HG13 ILE 52 HG11 ILE 52 18.227 -0.142 4.897
328 HG21 ILE 52 HG21 ILE 52 19.706 2.122 3.836
329 HG22 ILE 52 HG22 ILE 52 20.359 1.244 5.219
330 HG23 ILE 52 HG23 ILE 52 20.182 2.998 5.291
331 HD11 ILE 52 HD11 ILE 52 16.338 0.010 6.305
332 HD12 ILE 52 HD12 ILE 52 15.732 -0.211 4.663
333 HD13 ILE 52 HD13 ILE 52 15.695 1.387 5.408
334 H TRP 53 HN TRP 53 20.887 1.446 7.186
335 HA TRP 53 HA TRP 53 21.389 4.162 8.094
336 HB2 TRP 53 HB2 TRP 53 21.849 1.720 9.780
337 HB3 TRP 53 HB1 TRP 53 22.879 3.137 9.965
338 HD1 TRP 53 HD1 TRP 53 20.756 5.437 9.790
339 HE1 TRP 53 HE1 TRP 53 19.014 5.745 11.659
340 HE3 TRP 53 HE3 TRP 53 20.861 0.730 11.782
341 HZ2 TRP 53 HZ2 TRP 53 17.839 4.198 13.708
342 HZ3 TRP 53 HZ3 TRP 53 19.398 0.226 13.696
343 HH2 TRP 53 HH2 TRP 53 17.919 1.925 14.637
344 H VAL 54 HN VAL 54 23.703 4.682 8.134
345 HA VAL 54 HA VAL 54 25.426 2.824 6.679
346 HB VAL 54 HB VAL 54 24.382 4.222 4.944
347 HG11 VAL 54 HG11 VAL 54 25.678 6.542 6.370
348 HG12 VAL 54 HG12 VAL 54 23.948 6.205 6.320
349 HG13 VAL 54 HG13 VAL 54 24.811 6.613 4.836
350 HG21 VAL 54 HG21 VAL 54 27.264 4.164 5.496
351 HG22 VAL 54 HG22 VAL 54 26.759 5.380 4.324
352 HG23 VAL 54 HG23 VAL 54 26.372 3.681 4.053
Start of MODEL 19
1 H1 SER 5 HT1 SER 5 -17.206 -4.471 -1.000
2 H2 SER 5 HT2 SER 5 -18.441 -5.432 -1.705
3 H3 SER 5 HT3 SER 5 -16.863 -6.073 -1.501
4 HA SER 5 HA SER 5 -18.901 -5.483 0.516
5 HB2 SER 5 HB2 SER 5 -17.186 -7.909 -0.082
6 HB3 SER 5 HB1 SER 5 -18.486 -7.821 1.107
7 HG SER 5 HG SER 5 -19.871 -7.283 -0.740
8 H GLN 6 HN GLN 6 -15.452 -5.871 -0.076
9 HA GLN 6 HA GLN 6 -14.819 -4.443 2.336
10 HB2 GLN 6 HB2 GLN 6 -15.135 -6.703 3.236
11 HB3 GLN 6 HB1 GLN 6 -13.975 -7.334 2.075
12 HG2 GLN 6 HG2 GLN 6 -12.207 -6.654 3.273
13 HG3 GLN 6 HG1 GLN 6 -12.980 -5.144 3.754
14 HE21 GLN 6 HE21 GLN 6 -15.166 -5.892 5.073
15 HE22 GLN 6 HE22 GLN 6 -14.768 -6.835 6.465
16 H GLY 7 HN GLY 7 -12.736 -3.603 2.327
17 HA2 GLY 7 HA2 GLY 7 -11.523 -3.300 -0.213
18 HA3 GLY 7 HA1 GLY 7 -10.850 -2.762 1.319
19 H GLU 8 HN GLU 8 -10.841 -5.215 -1.110
20 HA GLU 8 HA GLU 8 -8.734 -6.657 0.354
21 HB2 GLU 8 HB2 GLU 8 -9.319 -8.637 -0.886
22 HB3 GLU 8 HB1 GLU 8 -10.782 -7.974 -0.169
23 HG2 GLU 8 HG2 GLU 8 -11.753 -7.793 -2.146
24 HG3 GLU 8 HG1 GLU 8 -10.386 -6.894 -2.799
25 H CYS 9 HN CYS 9 -8.187 -4.289 -1.063
26 HA CYS 9 HA CYS 9 -6.450 -5.357 -3.180
27 HB2 CYS 9 HB2 CYS 9 -8.471 -3.198 -3.351
28 HB3 CYS 9 HB1 CYS 9 -6.933 -2.885 -4.148
29 HA PRO 10 HA PRO 10 -4.238 -2.339 -0.316
30 HB2 PRO 10 HB2 PRO 10 -3.343 -3.809 1.692
31 HB3 PRO 10 HB1 PRO 10 -5.037 -3.299 1.657
32 HG2 PRO 10 HG2 PRO 10 -3.842 -5.949 0.935
33 HG3 PRO 10 HG1 PRO 10 -5.314 -5.602 1.859
34 HD2 PRO 10 HD2 PRO 10 -5.239 -6.238 -0.845
35 HD3 PRO 10 HD1 PRO 10 -6.576 -5.411 -0.023
36 H GLU 11 HN GLU 11 -1.895 -2.513 0.523
37 HA GLU 11 HA GLU 11 0.293 -2.688 -0.012
38 HB2 GLU 11 HB2 GLU 11 -0.528 -5.101 0.739
39 HB3 GLU 11 HB1 GLU 11 -0.059 -5.498 -0.908
40 HG2 GLU 11 HG2 GLU 11 2.001 -3.934 0.300
41 HG3 GLU 11 HG1 GLU 11 1.580 -5.271 1.370
42 H GLY 12 HN GLY 12 1.213 -1.730 -1.641
43 HA2 GLY 12 HA2 GLY 12 1.926 -1.255 -3.766
44 HA3 GLY 12 HA1 GLY 12 1.526 -2.914 -4.183
45 H ARG 13 HN ARG 13 -1.215 -1.497 -2.926
46 HA ARG 13 HA ARG 13 -2.103 -0.035 -5.222
47 HB2 ARG 13 HB2 ARG 13 -2.371 -2.049 -6.349
48 HB3 ARG 13 HB1 ARG 13 -2.802 -2.924 -4.890
49 HG2 ARG 13 HG2 ARG 13 -4.851 -1.178 -5.024
50 HG3 ARG 13 HG1 ARG 13 -4.481 -1.398 -6.739
51 HD2 ARG 13 HD2 ARG 13 -4.908 -3.644 -4.786
52 HD3 ARG 13 HD1 ARG 13 -6.161 -3.002 -5.847
53 HE ARG 13 HE ARG 13 -5.020 -3.900 -7.706
54 HH11 ARG 13 HH11 ARG 13 -3.495 -4.732 -4.669
55 HH12 ARG 13 HH12 ARG 13 -2.576 -6.029 -5.352
56 HH21 ARG 13 HH21 ARG 13 -3.812 -5.607 -8.591
57 HH22 ARG 13 HH22 ARG 13 -2.753 -6.526 -7.573
58 H ALA 14 HN ALA 14 -4.280 0.770 -4.945
59 HA ALA 14 HA ALA 14 -5.259 0.529 -2.200
60 HB1 ALA 14 HB1 ALA 14 -4.632 2.701 -2.186
61 HB2 ALA 14 HB2 ALA 14 -6.252 2.888 -2.846
62 HB3 ALA 14 HB3 ALA 14 -4.857 2.891 -3.922
63 H TYR 15 HN TYR 15 -7.599 1.273 -2.000
64 HA TYR 15 HA TYR 15 -9.228 0.388 -4.275
65 HB2 TYR 15 HB2 TYR 15 -9.160 -1.487 -2.742
66 HB3 TYR 15 HB1 TYR 15 -9.555 -0.439 -1.385
67 HD1 TYR 15 HD2 TYR 15 -11.837 0.488 -1.162
68 HD2 TYR 15 HD1 TYR 15 -10.870 -2.327 -4.203
69 HE1 TYR 15 HE2 TYR 15 -14.230 0.039 -1.503
70 HE2 TYR 15 HE1 TYR 15 -13.260 -2.781 -4.551
71 HH TYR 15 HH TYR 15 -15.436 -2.532 -2.925
72 H SER 16 HN SER 16 -10.509 2.029 -4.866
73 HA SER 16 HA SER 16 -11.144 4.100 -2.911
74 HB2 SER 16 HB2 SER 16 -12.246 4.924 -5.302
75 HB3 SER 16 HB1 SER 16 -10.642 5.356 -4.712
76 HG SER 16 HG SER 16 -10.350 4.505 -6.721
77 H GLN 17 HN GLN 17 -13.039 4.241 -1.935
78 HA GLN 17 HA GLN 17 -15.132 2.399 -2.528
79 HB2 GLN 17 HB2 GLN 17 -14.543 4.377 -0.427
80 HB3 GLN 17 HB1 GLN 17 -16.253 4.134 -0.755
81 HG2 GLN 17 HG2 GLN 17 -15.057 1.581 -0.611
82 HG3 GLN 17 HG1 GLN 17 -14.469 2.518 0.761
83 HE21 GLN 17 HE21 GLN 17 -15.629 2.160 2.498
84 HE22 GLN 17 HE22 GLN 17 -17.340 1.933 2.560
85 H ASP 18 HN ASP 18 -14.439 5.705 -3.266
86 HA ASP 18 HA ASP 18 -17.040 6.554 -3.947
87 HB2 ASP 18 HB2 ASP 18 -14.392 7.531 -5.039
88 HB3 ASP 18 HB1 ASP 18 -15.928 8.385 -5.138
89 H LEU 19 HN LEU 19 -14.347 5.563 -6.066
90 HA LEU 19 HA LEU 19 -16.004 5.418 -8.372
91 HB2 LEU 19 HB2 LEU 19 -13.216 4.416 -7.826
92 HB3 LEU 19 HB1 LEU 19 -13.996 4.295 -9.393
93 HG LEU 19 HG LEU 19 -13.660 6.951 -8.029
94 HD11 LEU 19 HD11 LEU 19 -11.720 6.189 -10.111
95 HD12 LEU 19 HD12 LEU 19 -11.501 5.433 -8.533
96 HD13 LEU 19 HD13 LEU 19 -11.515 7.190 -8.674
97 HD21 LEU 19 HD21 LEU 19 -15.198 6.526 -10.039
98 HD22 LEU 19 HD22 LEU 19 -13.709 6.350 -10.966
99 HD23 LEU 19 HD23 LEU 19 -14.056 7.867 -10.138
100 H GLY 20 HN GLY 20 -15.246 3.240 -5.826
101 HA2 GLY 20 HA2 GLY 20 -16.181 1.180 -5.354
102 HA3 GLY 20 HA1 GLY 20 -17.086 1.291 -6.857
103 H LYS 21 HN LYS 21 -13.587 1.291 -6.200
104 HA LYS 21 HA LYS 21 -13.158 -1.353 -7.124
105 HB2 LYS 21 HB2 LYS 21 -11.980 -0.792 -9.235
106 HB3 LYS 21 HB1 LYS 21 -13.701 -0.444 -9.302
107 HG2 LYS 21 HG2 LYS 21 -13.034 1.512 -10.158
108 HG3 LYS 21 HG1 LYS 21 -12.737 1.944 -8.473
109 HD2 LYS 21 HD2 LYS 21 -10.707 2.486 -9.374
110 HD3 LYS 21 HD1 LYS 21 -10.406 0.797 -8.962
111 HE2 LYS 21 HE2 LYS 21 -9.614 1.010 -11.152
112 HE3 LYS 21 HE1 LYS 21 -11.202 0.262 -11.330
113 HZ1 LYS 21 HZ1 LYS 21 -12.042 2.076 -12.336
114 HZ2 LYS 21 HZ2 LYS 21 -10.424 2.381 -12.722
115 HZ3 LYS 21 HZ3 LYS 21 -11.140 3.167 -11.407
116 H CYS 22 HN CYS 22 -10.597 -1.345 -7.937
117 HA CYS 22 HA CYS 22 -9.152 0.372 -6.058
118 HB2 CYS 22 HB2 CYS 22 -7.682 -1.746 -5.626
119 HB3 CYS 22 HB1 CYS 22 -9.177 -1.518 -4.730
120 H MET 23 HN MET 23 -7.208 1.071 -6.677
121 HA MET 23 HA MET 23 -6.099 0.017 -9.180
122 HB2 MET 23 HB2 MET 23 -6.618 1.965 -10.161
123 HB3 MET 23 HB1 MET 23 -7.116 2.675 -8.635
124 HG2 MET 23 HG2 MET 23 -4.717 3.153 -8.167
125 HG3 MET 23 HG1 MET 23 -4.350 2.612 -9.803
126 HE1 MET 23 HE1 MET 23 -6.005 5.257 -12.055
127 HE2 MET 23 HE2 MET 23 -6.416 3.585 -11.679
128 HE3 MET 23 HE3 MET 23 -4.735 4.039 -11.958
129 H GLU 24 HN GLU 24 -3.786 0.369 -9.398
130 HA GLU 24 HA GLU 24 -2.320 -0.465 -7.243
131 HB2 GLU 24 HB2 GLU 24 -0.320 0.297 -8.498
132 HB3 GLU 24 HB1 GLU 24 -1.450 -0.634 -9.482
133 HG2 GLU 24 HG2 GLU 24 -2.227 2.033 -9.716
134 HG3 GLU 24 HG1 GLU 24 -0.469 2.031 -9.829
135 H CYS 25 HN CYS 25 -0.345 0.632 -6.438
136 HA CYS 25 HA CYS 25 -1.105 3.093 -5.081
137 HB2 CYS 25 HB2 CYS 25 -0.097 1.034 -3.908
138 HB3 CYS 25 HB1 CYS 25 1.420 1.496 -4.659
139 H SER 26 HN SER 26 1.220 1.839 -7.366
140 HA SER 26 HA SER 26 3.072 3.893 -7.442
141 HB2 SER 26 HB2 SER 26 2.222 1.744 -9.226
142 HB3 SER 26 HB1 SER 26 2.782 3.166 -10.107
143 HG SER 26 HG SER 26 4.680 3.070 -8.730
144 H VAL 27 HN VAL 27 -0.242 3.890 -8.383
145 HA VAL 27 HA VAL 27 -0.138 6.030 -10.243
146 HB VAL 27 HB VAL 27 -2.379 4.876 -8.598
147 HG11 VAL 27 HG11 VAL 27 -3.500 6.795 -8.847
148 HG12 VAL 27 HG12 VAL 27 -3.598 6.380 -10.559
149 HG13 VAL 27 HG13 VAL 27 -2.314 7.439 -9.983
150 HG21 VAL 27 HG21 VAL 27 -1.240 3.797 -10.707
151 HG22 VAL 27 HG22 VAL 27 -2.282 4.926 -11.573
152 HG23 VAL 27 HG23 VAL 27 -2.989 3.732 -10.486
153 H CYS 28 HN CYS 28 -0.242 5.858 -6.787
154 HA CYS 28 HA CYS 28 -1.015 8.560 -6.338
155 HB2 CYS 28 HB2 CYS 28 -0.982 6.410 -4.747
156 HB3 CYS 28 HB1 CYS 28 0.564 7.110 -4.281
157 H LYS 29 HN LYS 29 0.225 10.167 -7.074
158 HA LYS 29 HA LYS 29 3.140 9.939 -6.802
159 HB2 LYS 29 HB2 LYS 29 1.596 10.732 -8.955
160 HB3 LYS 29 HB1 LYS 29 2.145 12.259 -8.277
161 HG2 LYS 29 HG2 LYS 29 4.473 11.406 -8.378
162 HG3 LYS 29 HG1 LYS 29 3.863 9.966 -9.197
163 HD2 LYS 29 HD2 LYS 29 3.436 11.085 -11.137
164 HD3 LYS 29 HD1 LYS 29 3.092 12.606 -10.311
165 HE2 LYS 29 HE2 LYS 29 5.870 11.570 -10.196
166 HE3 LYS 29 HE1 LYS 29 5.307 12.228 -11.732
167 HZ1 LYS 29 HZ1 LYS 29 6.401 13.876 -10.267
168 HZ2 LYS 29 HZ2 LYS 29 5.147 13.680 -9.149
169 HZ3 LYS 29 HZ3 LYS 29 4.817 14.300 -10.687
170 H ASN 30 HN ASN 30 3.847 12.597 -6.875
171 HA ASN 30 HA ASN 30 3.396 13.358 -4.151
172 HB2 ASN 30 HB2 ASN 30 5.566 13.679 -5.351
173 HB3 ASN 30 HB1 ASN 30 4.795 14.924 -6.329
174 HD21 ASN 30 HD21 ASN 30 5.986 14.074 -3.182
175 HD22 ASN 30 HD22 ASN 30 5.962 15.668 -2.518
176 H SER 31 HN SER 31 2.062 14.252 -7.230
177 HA SER 31 HA SER 31 0.765 16.617 -6.118
178 HB2 SER 31 HB2 SER 31 0.051 17.085 -8.394
179 HB3 SER 31 HB1 SER 31 1.775 16.713 -8.389
180 HG SER 31 HG SER 31 -0.252 15.442 -9.652
181 H GLU 32 HN GLU 32 -0.029 13.416 -7.367
182 HA GLU 32 HA GLU 32 -2.842 13.722 -7.290
183 HB2 GLU 32 HB2 GLU 32 -1.317 11.896 -8.416
184 HB3 GLU 32 HB1 GLU 32 -1.544 11.058 -6.888
185 HG2 GLU 32 HG2 GLU 32 -3.552 10.366 -7.497
186 HG3 GLU 32 HG1 GLU 32 -4.064 12.015 -7.854
187 H LYS 33 HN LYS 33 -4.354 13.011 -5.776
188 HA LYS 33 HA LYS 33 -3.450 12.030 -3.200
189 HB2 LYS 33 HB2 LYS 33 -4.712 14.741 -3.572
190 HB3 LYS 33 HB1 LYS 33 -4.794 13.879 -2.042
191 HG2 LYS 33 HG2 LYS 33 -2.411 13.909 -1.823
192 HG3 LYS 33 HG1 LYS 33 -2.227 14.578 -3.445
193 HD2 LYS 33 HD2 LYS 33 -3.753 16.487 -2.491
194 HD3 LYS 33 HD1 LYS 33 -3.160 15.896 -0.937
195 HE2 LYS 33 HE2 LYS 33 -1.456 17.314 -1.306
196 HE3 LYS 33 HE1 LYS 33 -0.854 16.034 -2.358
197 HZ1 LYS 33 HZ1 LYS 33 -1.787 17.113 -4.246
198 HZ2 LYS 33 HZ2 LYS 33 -0.899 18.272 -3.393
199 HZ3 LYS 33 HZ3 LYS 33 -2.587 18.255 -3.288
200 H SER 34 HN SER 34 -4.749 10.343 -4.469
201 HA SER 34 HA SER 34 -7.577 10.644 -4.636
202 HB2 SER 34 HB2 SER 34 -5.836 8.171 -4.702
203 HB3 SER 34 HB1 SER 34 -7.563 8.188 -5.061
204 HG SER 34 HG SER 34 -7.175 9.419 -6.854
205 H ASP 35 HN ASP 35 -9.156 9.389 -3.449
206 HA ASP 35 HA ASP 35 -8.744 9.560 -0.626
207 HB2 ASP 35 HB2 ASP 35 -10.938 9.779 -2.148
208 HB3 ASP 35 HB1 ASP 35 -11.090 8.082 -1.705
209 H PHE 36 HN PHE 36 -8.231 7.125 -2.953
210 HA PHE 36 HA PHE 36 -8.416 4.957 -1.011
211 HB2 PHE 36 HB2 PHE 36 -8.365 3.475 -2.810
212 HB3 PHE 36 HB1 PHE 36 -9.242 4.848 -3.465
213 HD1 PHE 36 HD1 PHE 36 -6.686 6.587 -3.856
214 HD2 PHE 36 HD2 PHE 36 -7.691 2.585 -4.903
215 HE1 PHE 36 HE1 PHE 36 -5.074 6.669 -5.706
216 HE2 PHE 36 HE2 PHE 36 -6.078 2.667 -6.755
217 HZ PHE 36 HZ PHE 36 -4.766 4.707 -7.154
218 H CYS 37 HN CYS 37 -6.057 7.099 -2.103
219 HA CYS 37 HA CYS 37 -3.799 5.459 -2.163
220 HB2 CYS 37 HB2 CYS 37 -4.246 8.353 -1.532
221 HB3 CYS 37 HB1 CYS 37 -2.652 7.648 -1.279
222 H GLN 38 HN GLN 38 -5.896 5.641 0.321
223 HA GLN 38 HA GLN 38 -3.855 5.467 2.390
224 HB2 GLN 38 HB2 GLN 38 -6.606 5.056 3.246
225 HB3 GLN 38 HB1 GLN 38 -5.423 6.216 3.832
226 HG2 GLN 38 HG2 GLN 38 -5.965 7.679 1.932
227 HG3 GLN 38 HG1 GLN 38 -7.183 6.513 1.414
228 HE21 GLN 38 HE21 GLN 38 -8.178 8.871 1.746
229 HE22 GLN 38 HE22 GLN 38 -9.027 9.049 3.240
230 H ASN 39 HN ASN 39 -5.498 3.527 0.252
231 HA ASN 39 HA ASN 39 -5.568 1.226 2.058
232 HB2 ASN 39 HB2 ASN 39 -6.992 1.984 -0.321
233 HB3 ASN 39 HB1 ASN 39 -6.265 0.394 -0.537
234 HD21 ASN 39 HD21 ASN 39 -6.650 -1.167 1.236
235 HD22 ASN 39 HD22 ASN 39 -8.201 -1.156 1.997
236 H CYS 40 HN CYS 40 -3.859 2.425 -0.721
237 HA CYS 40 HA CYS 40 -2.390 0.065 -1.250
238 HB2 CYS 40 HB2 CYS 40 -1.402 1.224 -2.966
239 HB3 CYS 40 HB1 CYS 40 -2.891 2.122 -2.768
240 HA PRO 41 HA PRO 41 1.023 2.598 1.322
241 HB2 PRO 41 HB2 PRO 41 -0.802 2.924 3.657
242 HB3 PRO 41 HB1 PRO 41 0.494 3.981 3.083
243 HG2 PRO 41 HG2 PRO 41 -2.046 4.629 2.663
244 HG3 PRO 41 HG1 PRO 41 -0.823 4.909 1.409
245 HD2 PRO 41 HD2 PRO 41 -2.883 2.753 1.599
246 HD3 PRO 41 HD1 PRO 41 -2.310 3.636 0.172
247 H SER 42 HN SER 42 1.759 1.906 3.723
248 HA SER 42 HA SER 42 2.384 0.200 5.090
249 HB2 SER 42 HB2 SER 42 -0.336 0.066 5.074
250 HB3 SER 42 HB1 SER 42 0.078 -1.546 4.492
251 HG SER 42 HG SER 42 0.620 -2.037 6.450
252 H LYS 43 HN LYS 43 3.842 -1.354 4.755
253 HA LYS 43 HA LYS 43 5.071 -2.977 3.740
254 HB2 LYS 43 HB2 LYS 43 2.511 -3.737 2.326
255 HB3 LYS 43 HB1 LYS 43 3.918 -4.757 2.589
256 HG2 LYS 43 HG2 LYS 43 3.453 -4.372 5.094
257 HG3 LYS 43 HG1 LYS 43 1.857 -3.849 4.555
258 HD2 LYS 43 HD2 LYS 43 1.620 -6.139 5.031
259 HD3 LYS 43 HD1 LYS 43 1.749 -6.050 3.274
260 HE2 LYS 43 HE2 LYS 43 3.258 -7.704 3.612
261 HE3 LYS 43 HE1 LYS 43 4.337 -6.334 3.873
262 HZ1 LYS 43 HZ1 LYS 43 4.061 -8.332 5.599
263 HZ2 LYS 43 HZ2 LYS 43 2.891 -7.275 6.210
264 HZ3 LYS 43 HZ3 LYS 43 4.496 -6.764 6.063
265 H THR 44 HN THR 44 5.184 -4.036 1.246
266 HA THR 44 HA THR 44 5.897 -3.632 -0.875
267 HB THR 44 HB THR 44 4.099 -1.207 -0.677
268 HG1 THR 44 HG1 THR 44 3.615 -3.850 -1.571
269 HG21 THR 44 HG21 THR 44 3.987 -1.226 -3.064
270 HG22 THR 44 HG22 THR 44 5.030 -2.645 -3.146
271 HG23 THR 44 HG23 THR 44 5.678 -1.108 -2.575
272 H GLU 45 HN GLU 45 8.002 -3.251 0.111
273 HA GLU 45 HA GLU 45 9.120 -0.767 -0.766
274 HB2 GLU 45 HB2 GLU 45 8.726 -1.290 2.159
275 HB3 GLU 45 HB1 GLU 45 10.137 -0.391 1.619
276 HG2 GLU 45 HG2 GLU 45 8.259 0.952 0.287
277 HG3 GLU 45 HG1 GLU 45 7.285 0.379 1.640
278 H GLN 46 HN GLN 46 10.006 -2.734 -1.940
279 HA GLN 46 HA GLN 46 12.548 -3.442 -0.689
280 HB2 GLN 46 HB2 GLN 46 10.749 -5.499 -1.981
281 HB3 GLN 46 HB1 GLN 46 12.341 -5.792 -1.295
282 HG2 GLN 46 HG2 GLN 46 10.029 -4.761 0.323
283 HG3 GLN 46 HG1 GLN 46 10.375 -6.478 0.116
284 HE21 GLN 46 HE21 GLN 46 10.329 -5.206 2.594
285 HE22 GLN 46 HE22 GLN 46 11.925 -5.222 3.254
286 HA PRO 47 HA PRO 47 14.239 -2.334 -4.620
287 HB2 PRO 47 HB2 PRO 47 16.094 -4.618 -4.169
288 HB3 PRO 47 HB1 PRO 47 16.458 -2.928 -4.534
289 HG2 PRO 47 HG2 PRO 47 16.796 -3.889 -2.075
290 HG3 PRO 47 HG1 PRO 47 16.163 -2.252 -2.336
291 HD2 PRO 47 HD2 PRO 47 14.716 -4.743 -1.547
292 HD3 PRO 47 HD1 PRO 47 14.447 -3.068 -1.026
293 H ASP 48 HN ASP 48 12.840 -2.885 -6.220
294 HA ASP 48 HA ASP 48 13.263 -5.436 -7.530
295 HB2 ASP 48 HB2 ASP 48 11.187 -5.306 -5.745
296 HB3 ASP 48 HB1 ASP 48 10.391 -4.866 -7.253
297 H PHE 49 HN PHE 49 13.999 -2.920 -8.365
298 HA PHE 49 HA PHE 49 12.151 -1.561 -9.965
299 HB2 PHE 49 HB2 PHE 49 14.614 -0.972 -9.241
300 HB3 PHE 49 HB1 PHE 49 15.025 -1.725 -10.779
301 HD1 PHE 49 HD2 PHE 49 13.315 -0.890 -12.742
302 HD2 PHE 49 HD1 PHE 49 14.482 1.305 -9.289
303 HE1 PHE 49 HE2 PHE 49 12.798 1.214 -13.909
304 HE2 PHE 49 HE1 PHE 49 13.968 3.413 -10.449
305 HZ PHE 49 HZ PHE 49 13.125 3.369 -12.763
306 HA PRO 50 HA PRO 50 11.606 -4.614 -13.189
307 HB2 PRO 50 HB2 PRO 50 10.127 -3.079 -14.871
308 HB3 PRO 50 HB1 PRO 50 9.462 -3.820 -13.410
309 HG2 PRO 50 HG2 PRO 50 10.414 -1.014 -13.846
310 HG3 PRO 50 HG1 PRO 50 8.961 -1.585 -13.003
311 HD2 PRO 50 HD2 PRO 50 11.193 -0.824 -11.683
312 HD3 PRO 50 HD1 PRO 50 10.128 -2.110 -11.083
313 H TRP 51 HN TRP 51 11.498 -4.177 -15.823
314 HA TRP 51 HA TRP 51 14.187 -3.771 -16.555
315 HB2 TRP 51 HB2 TRP 51 11.658 -4.383 -17.933
316 HB3 TRP 51 HB1 TRP 51 12.841 -3.536 -18.923
317 HD1 TRP 51 HD1 TRP 51 15.283 -4.792 -19.200
318 HE1 TRP 51 HE1 TRP 51 15.827 -7.307 -19.268
319 HE3 TRP 51 HE3 TRP 51 11.000 -6.610 -17.080
320 HZ2 TRP 51 HZ2 TRP 51 14.604 -9.738 -18.522
321 HZ3 TRP 51 HZ3 TRP 51 10.766 -9.042 -16.793
322 HH2 TRP 51 HH2 TRP 51 12.533 -10.573 -17.500
323 H ILE 52 HN ILE 52 15.221 -2.099 -17.605
324 HA ILE 52 HA ILE 52 14.213 0.529 -17.069
325 HB ILE 52 HB ILE 52 16.720 -0.457 -18.426
326 HG12 ILE 52 HG12 ILE 52 17.830 0.429 -16.452
327 HG13 ILE 52 HG11 ILE 52 16.308 1.076 -15.850
328 HG21 ILE 52 HG21 ILE 52 16.480 1.535 -19.558
329 HG22 ILE 52 HG22 ILE 52 17.383 2.051 -18.133
330 HG23 ILE 52 HG23 ILE 52 15.642 2.319 -18.219
331 HD11 ILE 52 HD11 ILE 52 17.102 -1.036 -14.767
332 HD12 ILE 52 HD12 ILE 52 16.785 -1.854 -16.298
333 HD13 ILE 52 HD13 ILE 52 15.463 -1.088 -15.417
334 H TRP 53 HN TRP 53 13.665 2.132 -18.542
335 HA TRP 53 HA TRP 53 12.691 3.018 -20.396
336 HB2 TRP 53 HB2 TRP 53 15.005 1.896 -21.278
337 HB3 TRP 53 HB1 TRP 53 13.829 1.050 -22.279
338 HD1 TRP 53 HD1 TRP 53 14.211 4.785 -21.244
339 HE1 TRP 53 HE1 TRP 53 13.974 6.213 -23.371
340 HE3 TRP 53 HE3 TRP 53 13.534 1.044 -24.663
341 HZ2 TRP 53 HZ2 TRP 53 13.555 5.808 -26.134
342 HZ3 TRP 53 HZ3 TRP 53 13.222 1.650 -27.028
343 HH2 TRP 53 HH2 TRP 53 13.232 3.984 -27.746
344 H VAL 54 HN VAL 54 11.158 2.575 -22.179
345 HA VAL 54 HA VAL 54 9.064 1.780 -22.652
346 HB VAL 54 HB VAL 54 10.391 0.533 -24.218
347 HG11 VAL 54 HG11 VAL 54 10.707 -1.598 -22.108
348 HG12 VAL 54 HG12 VAL 54 11.967 -0.483 -22.635
349 HG13 VAL 54 HG13 VAL 54 11.304 -1.661 -23.764
350 HG21 VAL 54 HG21 VAL 54 8.838 -1.780 -23.633
351 HG22 VAL 54 HG22 VAL 54 8.546 -0.525 -24.837
352 HG23 VAL 54 HG23 VAL 54 7.900 -0.349 -23.205
Start of MODEL 20
1 H1 SER 5 HT1 SER 5 -17.631 -5.948 -5.262
2 H2 SER 5 HT2 SER 5 -15.949 -6.246 -5.429
3 H3 SER 5 HT3 SER 5 -16.607 -5.864 -3.891
4 HA SER 5 HA SER 5 -18.014 -7.898 -4.171
5 HB2 SER 5 HB2 SER 5 -17.326 -7.969 -6.656
6 HB3 SER 5 HB1 SER 5 -15.812 -8.669 -6.083
7 HG SER 5 HG SER 5 -17.540 -10.187 -6.668
8 H GLN 6 HN GLN 6 -14.525 -7.302 -4.367
9 HA GLN 6 HA GLN 6 -14.211 -8.707 -1.815
10 HB2 GLN 6 HB2 GLN 6 -12.895 -9.370 -4.402
11 HB3 GLN 6 HB1 GLN 6 -11.917 -9.472 -2.945
12 HG2 GLN 6 HG2 GLN 6 -13.905 -10.878 -2.034
13 HG3 GLN 6 HG1 GLN 6 -14.302 -11.075 -3.741
14 HE21 GLN 6 HE21 GLN 6 -12.820 -12.147 -5.099
15 HE22 GLN 6 HE22 GLN 6 -11.628 -13.219 -4.454
16 H GLY 7 HN GLY 7 -13.017 -7.598 -0.401
17 HA2 GLY 7 HA2 GLY 7 -11.461 -5.311 -1.433
18 HA3 GLY 7 HA1 GLY 7 -12.226 -5.364 0.148
19 H GLU 8 HN GLU 8 -9.706 -6.923 -1.804
20 HA GLU 8 HA GLU 8 -8.063 -7.108 0.616
21 HB2 GLU 8 HB2 GLU 8 -8.367 -9.375 -1.362
22 HB3 GLU 8 HB1 GLU 8 -7.370 -9.374 0.086
23 HG2 GLU 8 HG2 GLU 8 -9.910 -8.746 1.002
24 HG3 GLU 8 HG1 GLU 8 -10.175 -9.980 -0.229
25 H CYS 9 HN CYS 9 -7.759 -5.126 -1.202
26 HA CYS 9 HA CYS 9 -5.894 -5.788 -3.266
27 HB2 CYS 9 HB2 CYS 9 -7.249 -3.382 -2.280
28 HB3 CYS 9 HB1 CYS 9 -5.615 -3.079 -2.861
29 HA PRO 10 HA PRO 10 -2.420 -6.234 -0.417
30 HB2 PRO 10 HB2 PRO 10 -0.957 -6.086 -3.006
31 HB3 PRO 10 HB1 PRO 10 -0.818 -7.267 -1.698
32 HG2 PRO 10 HG2 PRO 10 -2.080 -7.889 -3.956
33 HG3 PRO 10 HG1 PRO 10 -2.689 -8.451 -2.388
34 HD2 PRO 10 HD2 PRO 10 -3.694 -6.249 -4.136
35 HD3 PRO 10 HD1 PRO 10 -4.601 -7.393 -3.128
36 H GLU 11 HN GLU 11 0.000 -5.174 -0.751
37 HA GLU 11 HA GLU 11 -0.374 -2.439 -0.178
38 HB2 GLU 11 HB2 GLU 11 1.976 -4.253 -0.464
39 HB3 GLU 11 HB1 GLU 11 2.257 -2.517 -0.479
40 HG2 GLU 11 HG2 GLU 11 1.760 -2.274 1.709
41 HG3 GLU 11 HG1 GLU 11 0.539 -3.544 1.686
42 H GLY 12 HN GLY 12 1.243 -0.826 -1.289
43 HA2 GLY 12 HA2 GLY 12 1.550 0.522 -3.129
44 HA3 GLY 12 HA1 GLY 12 1.922 -0.974 -3.972
45 H ARG 13 HN ARG 13 -1.202 -0.666 -2.573
46 HA ARG 13 HA ARG 13 -2.562 0.483 -4.808
47 HB2 ARG 13 HB2 ARG 13 -3.036 -1.360 -6.007
48 HB3 ARG 13 HB1 ARG 13 -1.791 -2.168 -5.062
49 HG2 ARG 13 HG2 ARG 13 -3.574 -2.649 -3.362
50 HG3 ARG 13 HG1 ARG 13 -4.735 -2.114 -4.574
51 HD2 ARG 13 HD2 ARG 13 -2.774 -4.392 -4.853
52 HD3 ARG 13 HD1 ARG 13 -4.519 -4.537 -4.634
53 HE ARG 13 HE ARG 13 -4.321 -3.057 -6.879
54 HH11 ARG 13 HH11 ARG 13 -2.857 -6.073 -5.909
55 HH12 ARG 13 HH12 ARG 13 -2.764 -6.690 -7.523
56 HH21 ARG 13 HH21 ARG 13 -4.199 -3.867 -9.002
57 HH22 ARG 13 HH22 ARG 13 -3.527 -5.439 -9.279
58 H ALA 14 HN ALA 14 -4.968 0.323 -4.515
59 HA ALA 14 HA ALA 14 -6.038 -0.815 -2.168
60 HB1 ALA 14 HB1 ALA 14 -5.037 1.938 -1.945
61 HB2 ALA 14 HB2 ALA 14 -5.255 0.699 -0.717
62 HB3 ALA 14 HB3 ALA 14 -6.640 1.639 -1.274
63 H TYR 15 HN TYR 15 -8.282 0.408 -1.650
64 HA TYR 15 HA TYR 15 -9.616 0.606 -4.256
65 HB2 TYR 15 HB2 TYR 15 -10.318 -1.271 -2.819
66 HB3 TYR 15 HB1 TYR 15 -10.770 -0.130 -1.558
67 HD1 TYR 15 HD1 TYR 15 -12.517 1.711 -2.314
68 HD2 TYR 15 HD2 TYR 15 -11.953 -2.032 -4.257
69 HE1 TYR 15 HE1 TYR 15 -14.775 1.872 -3.271
70 HE2 TYR 15 HE2 TYR 15 -14.210 -1.878 -5.220
71 HH TYR 15 HH TYR 15 -16.511 -0.387 -4.285
72 H SER 16 HN SER 16 -10.738 2.351 -4.810
73 HA SER 16 HA SER 16 -10.942 4.541 -2.853
74 HB2 SER 16 HB2 SER 16 -9.609 5.372 -4.584
75 HB3 SER 16 HB1 SER 16 -10.516 4.516 -5.826
76 HG SER 16 HG SER 16 -11.447 6.392 -6.060
77 H GLN 17 HN GLN 17 -12.919 4.989 -2.145
78 HA GLN 17 HA GLN 17 -15.231 3.751 -3.172
79 HB2 GLN 17 HB2 GLN 17 -14.651 5.787 -1.093
80 HB3 GLN 17 HB1 GLN 17 -16.297 5.733 -1.711
81 HG2 GLN 17 HG2 GLN 17 -16.558 3.466 -1.034
82 HG3 GLN 17 HG1 GLN 17 -14.846 3.330 -0.635
83 HE21 GLN 17 HE21 GLN 17 -17.148 5.909 0.101
84 HE22 GLN 17 HE22 GLN 17 -17.006 5.787 1.818
85 H ASP 18 HN ASP 18 -13.608 6.676 -3.976
86 HA ASP 18 HA ASP 18 -15.721 8.146 -5.090
87 HB2 ASP 18 HB2 ASP 18 -13.050 8.581 -4.734
88 HB3 ASP 18 HB1 ASP 18 -13.129 8.360 -6.479
89 H LEU 19 HN LEU 19 -13.380 5.984 -6.682
90 HA LEU 19 HA LEU 19 -14.848 6.037 -9.144
91 HB2 LEU 19 HB2 LEU 19 -12.300 4.887 -8.190
92 HB3 LEU 19 HB1 LEU 19 -13.081 4.043 -9.514
93 HG LEU 19 HG LEU 19 -12.482 6.994 -9.602
94 HD11 LEU 19 HD11 LEU 19 -10.811 4.773 -10.761
95 HD12 LEU 19 HD12 LEU 19 -10.410 5.658 -9.289
96 HD13 LEU 19 HD13 LEU 19 -10.487 6.505 -10.834
97 HD21 LEU 19 HD21 LEU 19 -13.228 6.956 -11.731
98 HD22 LEU 19 HD22 LEU 19 -14.151 5.570 -11.152
99 HD23 LEU 19 HD23 LEU 19 -12.639 5.320 -12.024
100 H GLY 20 HN GLY 20 -14.746 4.072 -6.321
101 HA2 GLY 20 HA2 GLY 20 -16.143 2.356 -5.672
102 HA3 GLY 20 HA1 GLY 20 -17.012 2.554 -7.186
103 H LYS 21 HN LYS 21 -13.621 1.708 -6.504
104 HA LYS 21 HA LYS 21 -13.840 -1.031 -7.049
105 HB2 LYS 21 HB2 LYS 21 -12.759 -1.044 -9.327
106 HB3 LYS 21 HB1 LYS 21 -14.436 -0.519 -9.293
107 HG2 LYS 21 HG2 LYS 21 -13.890 1.689 -9.723
108 HG3 LYS 21 HG1 LYS 21 -12.223 1.486 -9.181
109 HD2 LYS 21 HD2 LYS 21 -11.534 0.843 -11.211
110 HD3 LYS 21 HD1 LYS 21 -12.908 -0.243 -11.425
111 HE2 LYS 21 HE2 LYS 21 -13.411 1.251 -13.057
112 HE3 LYS 21 HE1 LYS 21 -14.183 2.077 -11.705
113 HZ1 LYS 21 HZ1 LYS 21 -12.217 3.442 -11.447
114 HZ2 LYS 21 HZ2 LYS 21 -12.815 3.579 -13.022
115 HZ3 LYS 21 HZ3 LYS 21 -11.447 2.634 -12.718
116 H CYS 22 HN CYS 22 -11.801 -2.118 -7.083
117 HA CYS 22 HA CYS 22 -9.800 -0.821 -5.556
118 HB2 CYS 22 HB2 CYS 22 -10.395 -3.482 -6.369
119 HB3 CYS 22 HB1 CYS 22 -8.727 -3.149 -6.822
120 H MET 23 HN MET 23 -7.592 -0.433 -6.141
121 HA MET 23 HA MET 23 -6.887 -0.334 -8.940
122 HB2 MET 23 HB2 MET 23 -6.250 2.240 -8.401
123 HB3 MET 23 HB1 MET 23 -7.740 1.753 -9.185
124 HG2 MET 23 HG2 MET 23 -8.714 1.665 -6.822
125 HG3 MET 23 HG1 MET 23 -7.285 2.579 -6.362
126 HE1 MET 23 HE1 MET 23 -9.932 2.159 -8.868
127 HE2 MET 23 HE2 MET 23 -9.519 3.503 -9.933
128 HE3 MET 23 HE3 MET 23 -10.860 3.657 -8.800
129 H GLU 24 HN GLU 24 -4.710 1.430 -8.724
130 HA GLU 24 HA GLU 24 -3.004 -0.052 -6.845
131 HB2 GLU 24 HB2 GLU 24 -1.186 0.169 -8.337
132 HB3 GLU 24 HB1 GLU 24 -2.557 -0.339 -9.317
133 HG2 GLU 24 HG2 GLU 24 -2.731 2.367 -9.455
134 HG3 GLU 24 HG1 GLU 24 -0.990 2.115 -9.367
135 H CYS 25 HN CYS 25 -1.273 1.036 -5.831
136 HA CYS 25 HA CYS 25 -1.954 3.780 -5.170
137 HB2 CYS 25 HB2 CYS 25 -1.128 1.825 -3.562
138 HB3 CYS 25 HB1 CYS 25 0.451 2.474 -3.989
139 H SER 26 HN SER 26 0.412 2.011 -6.987
140 HA SER 26 HA SER 26 2.419 3.949 -7.204
141 HB2 SER 26 HB2 SER 26 1.699 1.490 -8.543
142 HB3 SER 26 HB1 SER 26 2.215 2.694 -9.725
143 HG SER 26 HG SER 26 3.647 1.549 -7.600
144 H VAL 27 HN VAL 27 -0.787 3.789 -8.435
145 HA VAL 27 HA VAL 27 -0.505 5.593 -10.609
146 HB VAL 27 HB VAL 27 -2.760 4.350 -9.145
147 HG11 VAL 27 HG11 VAL 27 -3.672 6.495 -9.000
148 HG12 VAL 27 HG12 VAL 27 -4.363 5.838 -10.484
149 HG13 VAL 27 HG13 VAL 27 -3.021 6.980 -10.567
150 HG21 VAL 27 HG21 VAL 27 -1.543 3.760 -11.429
151 HG22 VAL 27 HG22 VAL 27 -2.767 4.860 -12.063
152 HG23 VAL 27 HG23 VAL 27 -3.254 3.426 -11.160
153 H CYS 28 HN CYS 28 -0.867 5.962 -7.196
154 HA CYS 28 HA CYS 28 -1.925 8.534 -7.023
155 HB2 CYS 28 HB2 CYS 28 -1.031 6.664 -5.221
156 HB3 CYS 28 HB1 CYS 28 0.161 7.946 -5.040
157 H LYS 29 HN LYS 29 1.459 7.491 -7.284
158 HA LYS 29 HA LYS 29 2.540 10.115 -7.201
159 HB2 LYS 29 HB2 LYS 29 3.533 7.441 -7.355
160 HB3 LYS 29 HB1 LYS 29 4.291 8.384 -8.631
161 HG2 LYS 29 HG2 LYS 29 5.507 9.600 -7.188
162 HG3 LYS 29 HG1 LYS 29 4.202 9.696 -6.006
163 HD2 LYS 29 HD2 LYS 29 4.669 7.387 -5.317
164 HD3 LYS 29 HD1 LYS 29 5.986 7.310 -6.487
165 HE2 LYS 29 HE2 LYS 29 7.141 7.836 -4.575
166 HE3 LYS 29 HE1 LYS 29 6.825 9.444 -5.225
167 HZ1 LYS 29 HZ1 LYS 29 5.411 9.936 -3.561
168 HZ2 LYS 29 HZ2 LYS 29 6.280 8.751 -2.725
169 HZ3 LYS 29 HZ3 LYS 29 4.798 8.363 -3.443
170 H ASN 30 HN ASN 30 1.304 8.078 -9.748
171 HA ASN 30 HA ASN 30 2.432 9.329 -11.974
172 HB2 ASN 30 HB2 ASN 30 0.349 7.417 -11.458
173 HB3 ASN 30 HB1 ASN 30 -0.200 8.565 -12.675
174 HD21 ASN 30 HD21 ASN 30 1.584 5.795 -12.093
175 HD22 ASN 30 HD22 ASN 30 2.383 5.675 -13.619
176 H SER 31 HN SER 31 -0.996 9.721 -11.134
177 HA SER 31 HA SER 31 -0.963 12.508 -10.823
178 HB2 SER 31 HB2 SER 31 -0.465 11.957 -13.422
179 HB3 SER 31 HB1 SER 31 -2.228 11.983 -13.451
180 HG SER 31 HG SER 31 -1.984 14.067 -12.304
181 H GLU 32 HN GLU 32 -2.186 10.638 -9.377
182 HA GLU 32 HA GLU 32 -4.955 11.380 -9.596
183 HB2 GLU 32 HB2 GLU 32 -4.556 9.312 -11.109
184 HB3 GLU 32 HB1 GLU 32 -4.418 8.423 -9.599
185 HG2 GLU 32 HG2 GLU 32 -6.662 8.269 -10.503
186 HG3 GLU 32 HG1 GLU 32 -6.658 9.129 -8.964
187 H LYS 33 HN LYS 33 -4.251 12.311 -7.561
188 HA LYS 33 HA LYS 33 -3.550 10.542 -5.393
189 HB2 LYS 33 HB2 LYS 33 -3.570 12.573 -4.015
190 HB3 LYS 33 HB1 LYS 33 -2.610 12.792 -5.471
191 HG2 LYS 33 HG2 LYS 33 -5.131 13.646 -6.215
192 HG3 LYS 33 HG1 LYS 33 -4.955 14.227 -4.558
193 HD2 LYS 33 HD2 LYS 33 -4.083 15.955 -5.877
194 HD3 LYS 33 HD1 LYS 33 -2.660 15.086 -5.300
195 HE2 LYS 33 HE2 LYS 33 -2.173 14.229 -7.361
196 HE3 LYS 33 HE1 LYS 33 -3.858 14.241 -7.884
197 HZ1 LYS 33 HZ1 LYS 33 -3.419 16.842 -7.655
198 HZ2 LYS 33 HZ2 LYS 33 -3.133 15.987 -9.085
199 HZ3 LYS 33 HZ3 LYS 33 -1.850 16.339 -8.041
200 H SER 34 HN SER 34 -5.528 9.219 -5.715
201 HA SER 34 HA SER 34 -8.058 10.339 -4.963
202 HB2 SER 34 HB2 SER 34 -7.078 7.611 -5.662
203 HB3 SER 34 HB1 SER 34 -8.647 7.798 -4.873
204 HG SER 34 HG SER 34 -9.432 8.748 -6.614
205 H ASP 35 HN ASP 35 -9.307 8.807 -3.274
206 HA ASP 35 HA ASP 35 -7.881 9.251 -0.771
207 HB2 ASP 35 HB2 ASP 35 -10.202 10.118 -1.108
208 HB3 ASP 35 HB1 ASP 35 -10.768 8.452 -1.189
209 H PHE 36 HN PHE 36 -7.279 6.940 -2.568
210 HA PHE 36 HA PHE 36 -7.887 4.787 -0.646
211 HB2 PHE 36 HB2 PHE 36 -8.020 3.211 -2.389
212 HB3 PHE 36 HB1 PHE 36 -8.896 4.606 -3.001
213 HD1 PHE 36 HD1 PHE 36 -7.857 6.043 -4.736
214 HD2 PHE 36 HD2 PHE 36 -6.049 2.448 -3.411
215 HE1 PHE 36 HE1 PHE 36 -6.434 6.014 -6.746
216 HE2 PHE 36 HE2 PHE 36 -4.621 2.404 -5.396
217 HZ PHE 36 HZ PHE 36 -4.819 4.180 -7.068
218 H CYS 37 HN CYS 37 -5.410 6.628 -2.016
219 HA CYS 37 HA CYS 37 -3.351 4.697 -1.964
220 HB2 CYS 37 HB2 CYS 37 -3.026 7.648 -1.420
221 HB3 CYS 37 HB1 CYS 37 -1.816 6.543 -2.061
222 H GLN 38 HN GLN 38 -5.280 5.565 0.481
223 HA GLN 38 HA GLN 38 -3.215 5.630 2.525
224 HB2 GLN 38 HB2 GLN 38 -5.953 5.528 3.487
225 HB3 GLN 38 HB1 GLN 38 -4.713 6.732 3.792
226 HG2 GLN 38 HG2 GLN 38 -6.485 6.608 1.366
227 HG3 GLN 38 HG1 GLN 38 -6.710 7.681 2.748
228 HE21 GLN 38 HE21 GLN 38 -6.282 8.319 -0.068
229 HE22 GLN 38 HE22 GLN 38 -4.874 9.318 -0.125
230 H ASN 39 HN ASN 39 -5.077 3.395 0.842
231 HA ASN 39 HA ASN 39 -5.129 1.515 3.091
232 HB2 ASN 39 HB2 ASN 39 -6.669 1.818 0.650
233 HB3 ASN 39 HB1 ASN 39 -6.101 0.163 0.862
234 HD21 ASN 39 HD21 ASN 39 -8.793 0.961 0.947
235 HD22 ASN 39 HD22 ASN 39 -9.392 0.661 2.539
236 H CYS 40 HN CYS 40 -3.485 2.099 0.093
237 HA CYS 40 HA CYS 40 -2.254 -0.358 -0.314
238 HB2 CYS 40 HB2 CYS 40 -0.670 0.797 -1.698
239 HB3 CYS 40 HB1 CYS 40 -2.250 1.535 -1.929
240 HA PRO 41 HA PRO 41 1.238 1.048 2.630
241 HB2 PRO 41 HB2 PRO 41 0.222 2.797 4.645
242 HB3 PRO 41 HB1 PRO 41 1.377 3.177 3.368
243 HG2 PRO 41 HG2 PRO 41 -1.191 4.208 3.559
244 HG3 PRO 41 HG1 PRO 41 -0.207 4.181 2.086
245 HD2 PRO 41 HD2 PRO 41 -2.409 2.350 2.935
246 HD3 PRO 41 HD1 PRO 41 -2.004 2.958 1.317
247 H SER 42 HN SER 42 1.846 -0.035 4.501
248 HA SER 42 HA SER 42 0.088 -1.956 5.524
249 HB2 SER 42 HB2 SER 42 2.775 -1.628 5.607
250 HB3 SER 42 HB1 SER 42 2.359 -1.178 7.260
251 HG SER 42 HG SER 42 2.773 -3.501 6.753
252 H LYS 43 HN LYS 43 -0.001 -2.151 8.116
253 HA LYS 43 HA LYS 43 -1.223 0.357 9.062
254 HB2 LYS 43 HB2 LYS 43 -2.744 -1.657 8.582
255 HB3 LYS 43 HB1 LYS 43 -2.021 -2.387 10.011
256 HG2 LYS 43 HG2 LYS 43 -3.027 0.344 10.391
257 HG3 LYS 43 HG1 LYS 43 -4.257 -0.867 10.022
258 HD2 LYS 43 HD2 LYS 43 -2.185 -1.155 12.195
259 HD3 LYS 43 HD1 LYS 43 -3.826 -0.560 12.460
260 HE2 LYS 43 HE2 LYS 43 -4.733 -2.616 12.296
261 HE3 LYS 43 HE1 LYS 43 -3.646 -3.102 10.996
262 HZ1 LYS 43 HZ1 LYS 43 -2.067 -3.830 12.464
263 HZ2 LYS 43 HZ2 LYS 43 -3.472 -4.193 13.334
264 HZ3 LYS 43 HZ3 LYS 43 -2.575 -2.810 13.714
265 H THR 44 HN THR 44 0.529 1.156 10.174
266 HA THR 44 HA THR 44 1.840 -0.527 12.161
267 HB THR 44 HB THR 44 3.037 1.856 12.485
268 HG1 THR 44 HG1 THR 44 2.944 3.082 10.726
269 HG21 THR 44 HG21 THR 44 4.082 0.804 10.040
270 HG22 THR 44 HG22 THR 44 3.681 -0.511 11.146
271 HG23 THR 44 HG23 THR 44 4.774 0.774 11.661
272 H GLU 45 HN GLU 45 -0.250 -0.660 13.360
273 HA GLU 45 HA GLU 45 -0.180 0.902 15.675
274 HB2 GLU 45 HB2 GLU 45 -2.460 2.042 15.312
275 HB3 GLU 45 HB1 GLU 45 -1.043 2.776 14.574
276 HG2 GLU 45 HG2 GLU 45 -1.979 2.651 12.577
277 HG3 GLU 45 HG1 GLU 45 -2.161 0.905 12.741
278 H GLN 46 HN GLN 46 -0.315 -1.281 16.407
279 HA GLN 46 HA GLN 46 -2.666 -2.842 15.885
280 HB2 GLN 46 HB2 GLN 46 -1.693 -4.348 17.664
281 HB3 GLN 46 HB1 GLN 46 -0.666 -4.065 16.265
282 HG2 GLN 46 HG2 GLN 46 -0.239 -2.164 18.436
283 HG3 GLN 46 HG1 GLN 46 0.095 -3.838 18.877
284 HE21 GLN 46 HE21 GLN 46 1.634 -1.224 18.052
285 HE22 GLN 46 HE22 GLN 46 2.896 -1.849 17.051
286 HA PRO 47 HA PRO 47 -5.103 -1.024 19.138
287 HB2 PRO 47 HB2 PRO 47 -7.198 -2.711 19.061
288 HB3 PRO 47 HB1 PRO 47 -6.896 -1.536 17.775
289 HG2 PRO 47 HG2 PRO 47 -6.275 -4.462 17.852
290 HG3 PRO 47 HG1 PRO 47 -6.946 -3.496 16.527
291 HD2 PRO 47 HD2 PRO 47 -4.313 -4.213 16.694
292 HD3 PRO 47 HD1 PRO 47 -4.881 -2.753 15.863
293 H ASP 48 HN ASP 48 -3.091 -2.146 20.381
294 HA ASP 48 HA ASP 48 -2.436 -3.173 22.302
295 HB2 ASP 48 HB2 ASP 48 -4.553 -2.037 23.125
296 HB3 ASP 48 HB1 ASP 48 -5.368 -3.582 22.904
297 H PHE 49 HN PHE 49 -2.156 -4.771 20.238
298 HA PHE 49 HA PHE 49 -3.179 -7.382 21.150
299 HB2 PHE 49 HB2 PHE 49 -3.118 -6.168 18.459
300 HB3 PHE 49 HB1 PHE 49 -2.583 -7.843 18.535
301 HD1 PHE 49 HD1 PHE 49 -4.290 -9.032 20.531
302 HD2 PHE 49 HD2 PHE 49 -5.232 -6.141 17.555
303 HE1 PHE 49 HE1 PHE 49 -6.635 -9.779 20.553
304 HE2 PHE 49 HE2 PHE 49 -7.579 -6.882 17.572
305 HZ PHE 49 HZ PHE 49 -8.283 -8.703 19.073
306 HA PRO 50 HA PRO 50 1.400 -7.558 21.531
307 HB2 PRO 50 HB2 PRO 50 1.388 -9.333 23.590
308 HB3 PRO 50 HB1 PRO 50 1.216 -7.588 23.820
309 HG2 PRO 50 HG2 PRO 50 -0.891 -9.713 23.766
310 HG3 PRO 50 HG1 PRO 50 -0.731 -8.321 24.854
311 HD2 PRO 50 HD2 PRO 50 -2.435 -8.341 22.747
312 HD3 PRO 50 HD1 PRO 50 -1.646 -6.861 23.325
313 H TRP 51 HN TRP 51 2.888 -9.349 21.266
314 HA TRP 51 HA TRP 51 1.814 -11.368 19.500
315 HB2 TRP 51 HB2 TRP 51 4.555 -10.460 20.276
316 HB3 TRP 51 HB1 TRP 51 4.361 -12.055 19.556
317 HD1 TRP 51 HD1 TRP 51 3.004 -12.004 17.069
318 HE1 TRP 51 HE1 TRP 51 3.316 -10.315 15.153
319 HE3 TRP 51 HE3 TRP 51 5.147 -8.183 19.701
320 HZ2 TRP 51 HZ2 TRP 51 4.338 -7.706 14.805
321 HZ3 TRP 51 HZ3 TRP 51 5.763 -6.124 18.502
322 HH2 TRP 51 HH2 TRP 51 5.367 -5.892 16.105
323 H ILE 52 HN ILE 52 1.837 -13.577 19.824
324 HA ILE 52 HA ILE 52 1.620 -14.444 22.531
325 HB ILE 52 HB ILE 52 0.073 -15.469 21.172
326 HG12 ILE 52 HG12 ILE 52 1.580 -17.134 22.466
327 HG13 ILE 52 HG11 ILE 52 0.483 -17.779 21.247
328 HG21 ILE 52 HG21 ILE 52 0.504 -14.931 19.009
329 HG22 ILE 52 HG22 ILE 52 0.915 -16.646 18.969
330 HG23 ILE 52 HG23 ILE 52 2.192 -15.437 19.102
331 HD11 ILE 52 HD11 ILE 52 3.207 -18.227 21.440
332 HD12 ILE 52 HD12 ILE 52 3.036 -17.080 20.106
333 HD13 ILE 52 HD13 ILE 52 2.164 -18.616 20.070
334 H TRP 53 HN TRP 53 2.997 -15.724 23.682
335 HA TRP 53 HA TRP 53 5.226 -17.076 22.526
336 HB2 TRP 53 HB2 TRP 53 5.623 -14.387 23.755
337 HB3 TRP 53 HB1 TRP 53 6.831 -15.628 24.072
338 HD1 TRP 53 HD1 TRP 53 5.900 -13.065 21.569
339 HE1 TRP 53 HE1 TRP 53 7.332 -13.319 19.445
340 HE3 TRP 53 HE3 TRP 53 7.935 -17.663 22.503
341 HZ2 TRP 53 HZ2 TRP 53 9.088 -15.217 18.315
342 HZ3 TRP 53 HZ3 TRP 53 9.480 -18.626 20.849
343 HH2 TRP 53 HH2 TRP 53 10.045 -17.427 18.798
344 H VAL 54 HN VAL 54 4.907 -18.885 23.657
345 HA VAL 54 HA VAL 54 5.099 -18.720 26.579
346 HB VAL 54 HB VAL 54 3.108 -20.509 25.185
347 HG11 VAL 54 HG11 VAL 54 2.593 -21.371 27.203
348 HG12 VAL 54 HG12 VAL 54 2.850 -19.842 28.043
349 HG13 VAL 54 HG13 VAL 54 4.229 -20.853 27.612
350 HG21 VAL 54 HG21 VAL 54 1.368 -19.026 25.857
351 HG22 VAL 54 HG22 VAL 54 2.573 -18.064 25.000
352 HG23 VAL 54 HG23 VAL 54 2.496 -18.016 26.762