NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
497438 |
2kn1   |
17252 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H1 LEU 1 -9.073 -6.988 17.764
2 H2 LEU 1 H2 LEU 1 -9.218 -8.696 17.853
3 H3 LEU 1 H3 LEU 1 -9.597 -7.875 16.394
4 HA LEU 1 HA LEU 1 -7.298 -7.130 16.268
5 HB2 LEU 1 HB2 LEU 1 -7.211 -7.761 18.877
6 HB3 LEU 1 HB3 LEU 1 -6.562 -9.248 18.212
7 HG LEU 1 HG LEU 1 -5.127 -7.276 16.893
8 HD11 LEU 1 HD11 LEU 1 -4.802 -6.490 19.714
9 HD12 LEU 1 HD12 LEU 1 -6.250 -5.891 18.905
10 HD13 LEU 1 HD13 LEU 1 -4.656 -5.532 18.240
11 HD21 LEU 1 HD21 LEU 1 -3.258 -8.108 18.127
12 HD22 LEU 1 HD22 LEU 1 -4.357 -9.456 17.836
13 HD23 LEU 1 HD23 LEU 1 -4.304 -8.689 19.423
14 H GLN 2 H GLN 2 -7.904 -8.102 14.284
15 HA GLN 2 HA GLN 2 -7.309 -10.983 14.105
16 HB2 GLN 2 HB2 GLN 2 -8.689 -10.956 12.029
17 HB3 GLN 2 HB3 GLN 2 -9.597 -10.572 13.485
18 HG2 GLN 2 HG2 GLN 2 -9.673 -8.270 12.939
19 HG3 GLN 2 HG3 GLN 2 -8.492 -8.471 11.645
20 HE21 GLN 2 HE21 GLN 2 -11.683 -9.637 12.657
21 HE22 GLN 2 HE22 GLN 2 -12.359 -9.692 11.068
22 H MET 3 H MET 3 -5.618 -11.596 12.920
23 HA MET 3 HA MET 3 -3.949 -11.584 11.363
24 HB2 MET 3 HB2 MET 3 -5.750 -10.427 9.933
25 HB3 MET 3 HB3 MET 3 -4.901 -8.939 10.326
26 HG2 MET 3 HG2 MET 3 -4.220 -9.818 8.159
27 HG3 MET 3 HG3 MET 3 -2.876 -9.791 9.299
28 HE1 MET 3 HE1 MET 3 -2.208 -12.599 6.877
29 HE2 MET 3 HE2 MET 3 -2.901 -10.985 6.715
30 HE3 MET 3 HE3 MET 3 -3.908 -12.407 6.447
31 H ALA 4 H ALA 4 -4.348 -9.402 13.765
32 HA ALA 4 HA ALA 4 -2.261 -7.564 13.352
33 HB1 ALA 4 HB1 ALA 4 -2.695 -8.211 16.139
34 HB2 ALA 4 HB2 ALA 4 -4.212 -8.005 15.265
35 HB3 ALA 4 HB3 ALA 4 -3.012 -6.712 15.265
36 H GLY 5 H GLY 5 -0.707 -9.164 12.447
37 HA2 GLY 5 HA2 GLY 5 1.581 -9.500 13.703
38 HA3 GLY 5 HA3 GLY 5 0.665 -10.806 14.450
39 H GLN 6 H GLN 6 0.515 -9.702 11.089
40 HA GLN 6 HA GLN 6 2.216 -11.386 9.831
41 HB2 GLN 6 HB2 GLN 6 -0.008 -12.872 10.951
42 HB3 GLN 6 HB3 GLN 6 0.033 -13.031 9.201
43 HG2 GLN 6 HG2 GLN 6 2.372 -13.571 11.015
44 HG3 GLN 6 HG3 GLN 6 1.269 -14.803 10.405
45 HE21 GLN 6 HE21 GLN 6 3.075 -15.819 9.427
46 HE22 GLN 6 HE22 GLN 6 3.729 -15.223 7.943
47 H CYS 7 H CYS 7 1.937 -9.269 8.874
48 HA CYS 7 HA CYS 7 -0.260 -9.180 6.907
49 HB2 CYS 7 HB2 CYS 7 1.325 -7.002 8.251
50 HB3 CYS 7 HB3 CYS 7 0.431 -6.697 6.763
51 H SER 8 H SER 8 0.194 -8.815 4.745
52 HA SER 8 HA SER 8 2.616 -9.780 3.723
53 HB2 SER 8 HB2 SER 8 0.783 -7.881 2.251
54 HB3 SER 8 HB3 SER 8 1.818 -9.135 1.568
55 HG SER 8 HG SER 8 0.471 -10.685 2.569
56 H GLN 9 H GLN 9 4.275 -8.626 2.560
57 HA GLN 9 HA GLN 9 5.397 -6.596 4.027
58 HB2 GLN 9 HB2 GLN 9 6.279 -8.145 1.996
59 HB3 GLN 9 HB3 GLN 9 6.098 -6.612 1.154
60 HG2 GLN 9 HG2 GLN 9 7.460 -5.624 3.095
61 HG3 GLN 9 HG3 GLN 9 7.890 -7.297 3.449
62 HE21 GLN 9 HE21 GLN 9 8.284 -8.437 1.095
63 HE22 GLN 9 HE22 GLN 9 9.541 -7.652 0.207
64 H ASN 10 H ASN 10 5.094 -4.563 4.255
65 HA ASN 10 HA ASN 10 4.341 -2.463 4.007
66 HB2 ASN 10 HB2 ASN 10 5.303 -3.216 1.436
67 HB3 ASN 10 HB3 ASN 10 3.843 -2.259 1.204
68 HD21 ASN 10 HD21 ASN 10 3.785 -0.256 2.697
69 HD22 ASN 10 HD22 ASN 10 5.246 0.664 2.754
70 H GLU 11 H GLU 11 2.495 -4.650 4.394
71 HA GLU 11 HA GLU 11 0.127 -3.751 2.944
72 HB2 GLU 11 HB2 GLU 11 0.836 -6.226 3.949
73 HB3 GLU 11 HB3 GLU 11 -0.388 -5.664 5.075
74 HG2 GLU 11 HG2 GLU 11 -1.961 -5.369 3.275
75 HG3 GLU 11 HG3 GLU 11 -0.729 -5.787 2.087
76 H TYR 12 H TYR 12 -1.687 -2.776 3.816
77 HA TYR 12 HA TYR 12 -1.157 -1.660 6.517
78 HB2 TYR 12 HB2 TYR 12 -2.171 0.397 5.916
79 HB3 TYR 12 HB3 TYR 12 -1.005 0.005 4.661
80 HD1 TYR 12 HD1 TYR 12 -1.754 -0.581 2.412
81 HD2 TYR 12 HD2 TYR 12 -4.543 0.439 5.457
82 HE1 TYR 12 HE1 TYR 12 -3.492 -0.257 0.703
83 HE2 TYR 12 HE2 TYR 12 -6.287 0.768 3.757
84 HH TYR 12 HH TYR 12 -6.583 1.139 1.461
85 H PHE 13 H PHE 13 -2.472 -2.200 8.027
86 HA PHE 13 HA PHE 13 -4.902 -3.653 7.510
87 HB2 PHE 13 HB2 PHE 13 -3.303 -4.106 9.417
88 HB3 PHE 13 HB3 PHE 13 -3.886 -2.625 10.165
89 HD1 PHE 13 HD1 PHE 13 -5.235 -5.770 8.680
90 HD2 PHE 13 HD2 PHE 13 -5.569 -2.796 11.707
91 HE1 PHE 13 HE1 PHE 13 -7.094 -7.020 9.698
92 HE2 PHE 13 HE2 PHE 13 -7.428 -4.042 12.731
93 HZ PHE 13 HZ PHE 13 -8.193 -6.156 11.726
94 H ASP 14 H ASP 14 -6.323 -2.220 6.505
95 HA ASP 14 HA ASP 14 -6.921 0.373 7.497
96 HB2 ASP 14 HB2 ASP 14 -7.550 -0.962 5.216
97 HB3 ASP 14 HB3 ASP 14 -9.074 -1.079 6.089
98 H SER 15 H SER 15 -7.455 0.498 9.612
99 HA SER 15 HA SER 15 -8.827 -1.318 11.142
100 HB2 SER 15 HB2 SER 15 -9.402 0.571 12.638
101 HB3 SER 15 HB3 SER 15 -7.721 0.637 12.108
102 HG SER 15 HG SER 15 -9.685 2.442 11.752
103 H LEU 16 H LEU 16 -10.068 0.761 8.690
104 HA LEU 16 HA LEU 16 -12.817 0.544 9.569
105 HB2 LEU 16 HB2 LEU 16 -11.599 2.418 8.131
106 HB3 LEU 16 HB3 LEU 16 -12.104 1.390 6.804
107 HG LEU 16 HG LEU 16 -13.729 3.148 7.149
108 HD11 LEU 16 HD11 LEU 16 -14.370 0.679 6.650
109 HD12 LEU 16 HD12 LEU 16 -15.630 1.851 7.033
110 HD13 LEU 16 HD13 LEU 16 -15.068 0.726 8.269
111 HD21 LEU 16 HD21 LEU 16 -13.237 3.552 9.533
112 HD22 LEU 16 HD22 LEU 16 -14.072 2.052 9.938
113 HD23 LEU 16 HD23 LEU 16 -14.963 3.390 9.212
114 H LEU 17 H LEU 17 -10.629 -1.137 7.473
115 HA LEU 17 HA LEU 17 -12.800 -2.729 6.321
116 HB2 LEU 17 HB2 LEU 17 -9.860 -2.681 5.646
117 HB3 LEU 17 HB3 LEU 17 -11.110 -3.542 4.764
118 HG LEU 17 HG LEU 17 -11.104 -0.545 5.062
119 HD11 LEU 17 HD11 LEU 17 -9.062 -1.659 3.879
120 HD12 LEU 17 HD12 LEU 17 -9.877 -0.283 3.136
121 HD13 LEU 17 HD13 LEU 17 -10.214 -1.919 2.569
122 HD21 LEU 17 HD21 LEU 17 -12.327 -1.363 2.687
123 HD22 LEU 17 HD22 LEU 17 -13.116 -0.750 4.140
124 HD23 LEU 17 HD23 LEU 17 -12.901 -2.487 3.919
125 H HIS 18 H HIS 18 -10.197 -2.899 8.622
126 HA HIS 18 HA HIS 18 -9.486 -4.558 10.016
127 HB2 HIS 18 HB2 HIS 18 -11.983 -6.004 9.139
128 HB3 HIS 18 HB3 HIS 18 -11.022 -6.349 10.571
129 HD1 HIS 18 HD1 HIS 18 -13.979 -4.616 9.557
130 HD2 HIS 18 HD2 HIS 18 -11.019 -3.959 12.399
131 HE1 HIS 18 HE1 HIS 18 -14.973 -2.991 11.199
132 HE2 HIS 18 HE2 HIS 18 -13.135 -2.545 12.864
133 H ALA 19 H ALA 19 -8.248 -4.507 7.705
134 HA ALA 19 HA ALA 19 -7.362 -7.169 7.293
135 HB1 ALA 19 HB1 ALA 19 -8.477 -7.784 5.469
136 HB2 ALA 19 HB2 ALA 19 -8.089 -6.254 4.670
137 HB3 ALA 19 HB3 ALA 19 -9.524 -6.381 5.698
138 H CYS 20 H CYS 20 -5.300 -7.058 6.764
139 HA CYS 20 HA CYS 20 -4.071 -4.563 6.199
140 HB2 CYS 20 HB2 CYS 20 -3.153 -7.308 6.665
141 HB3 CYS 20 HB3 CYS 20 -2.193 -6.436 5.475
142 H ILE 21 H ILE 21 -4.370 -3.599 4.364
143 HA ILE 21 HA ILE 21 -4.704 -5.111 1.895
144 HB ILE 21 HB ILE 21 -4.998 -2.162 2.110
145 HG12 ILE 21 HG12 ILE 21 -6.233 -3.077 4.051
146 HG13 ILE 21 HG13 ILE 21 -7.285 -2.300 2.878
147 HG21 ILE 21 HG21 ILE 21 -7.014 -2.882 0.559
148 HG22 ILE 21 HG22 ILE 21 -6.030 -4.333 0.365
149 HG23 ILE 21 HG23 ILE 21 -5.369 -2.755 -0.065
150 HD11 ILE 21 HD11 ILE 21 -6.917 -5.250 3.318
151 HD12 ILE 21 HD12 ILE 21 -7.845 -4.553 1.988
152 HD13 ILE 21 HD13 ILE 21 -8.348 -4.278 3.654
153 HA PRO 22 HA PRO 22 -0.686 -3.714 0.674
154 HB2 PRO 22 HB2 PRO 22 -1.214 -4.224 -2.115
155 HB3 PRO 22 HB3 PRO 22 -0.298 -5.215 -0.981
156 HG2 PRO 22 HG2 PRO 22 -2.707 -5.944 -2.080
157 HG3 PRO 22 HG3 PRO 22 -2.076 -6.569 -0.545
158 HD2 PRO 22 HD2 PRO 22 -4.105 -4.405 -1.021
159 HD3 PRO 22 HD3 PRO 22 -4.084 -5.684 0.216
160 H CYS 23 H CYS 23 0.364 -1.959 -0.201
161 HA CYS 23 HA CYS 23 -1.011 0.431 -0.479
162 HB2 CYS 23 HB2 CYS 23 1.624 0.010 -1.868
163 HB3 CYS 23 HB3 CYS 23 1.022 1.449 -1.055
164 H GLN 24 H GLN 24 0.063 -1.793 -2.998
165 HA GLN 24 HA GLN 24 -0.249 -0.460 -5.307
166 HB2 GLN 24 HB2 GLN 24 -1.723 -3.015 -5.354
167 HB3 GLN 24 HB3 GLN 24 -0.419 -2.453 -6.384
168 HG2 GLN 24 HG2 GLN 24 -0.035 -3.459 -3.574
169 HG3 GLN 24 HG3 GLN 24 0.116 -4.453 -5.019
170 HE21 GLN 24 HE21 GLN 24 2.275 -4.887 -4.495
171 HE22 GLN 24 HE22 GLN 24 3.520 -3.720 -4.766
172 H LEU 25 H LEU 25 -2.926 -1.850 -3.507
173 HA LEU 25 HA LEU 25 -5.015 -1.228 -5.195
174 HB2 LEU 25 HB2 LEU 25 -4.780 -2.338 -2.706
175 HB3 LEU 25 HB3 LEU 25 -5.642 -0.852 -2.357
176 HG LEU 25 HG LEU 25 -7.311 -1.523 -4.130
177 HD11 LEU 25 HD11 LEU 25 -5.467 -3.817 -4.244
178 HD12 LEU 25 HD12 LEU 25 -6.523 -3.142 -5.484
179 HD13 LEU 25 HD13 LEU 25 -7.186 -4.208 -4.246
180 HD21 LEU 25 HD21 LEU 25 -7.522 -3.715 -2.230
181 HD22 LEU 25 HD22 LEU 25 -8.574 -2.320 -2.473
182 HD23 LEU 25 HD23 LEU 25 -7.139 -2.176 -1.458
183 H ARG 26 H ARG 26 -3.154 0.927 -3.238
184 HA ARG 26 HA ARG 26 -5.001 3.098 -3.925
185 HB2 ARG 26 HB2 ARG 26 -3.144 3.124 -1.571
186 HB3 ARG 26 HB3 ARG 26 -4.472 4.224 -1.905
187 HG2 ARG 26 HG2 ARG 26 -5.374 1.479 -1.746
188 HG3 ARG 26 HG3 ARG 26 -4.543 1.990 -0.275
189 HD2 ARG 26 HD2 ARG 26 -6.592 2.755 0.268
190 HD3 ARG 26 HD3 ARG 26 -6.070 4.144 -0.678
191 HE ARG 26 HE ARG 26 -7.337 2.163 -2.302
192 HH11 ARG 26 HH11 ARG 26 -7.971 4.797 -0.101
193 HH12 ARG 26 HH12 ARG 26 -9.534 5.139 -0.764
194 HH21 ARG 26 HH21 ARG 26 -9.392 2.613 -3.175
195 HH22 ARG 26 HH22 ARG 26 -10.341 3.900 -2.508
196 H CYS 27 H CYS 27 -2.126 1.863 -4.668
197 HA CYS 27 HA CYS 27 -0.557 4.262 -4.802
198 HB2 CYS 27 HB2 CYS 27 0.565 2.107 -4.483
199 HB3 CYS 27 HB3 CYS 27 -0.039 1.549 -6.041
200 H SER 28 H SER 28 -2.149 2.169 -7.194
201 HA SER 28 HA SER 28 -1.485 3.829 -9.337
202 HB2 SER 28 HB2 SER 28 -3.092 1.358 -9.019
203 HB3 SER 28 HB3 SER 28 -3.298 2.305 -10.493
204 HG SER 28 HG SER 28 -1.185 1.983 -11.001
205 H SER 29 H SER 29 -3.577 4.490 -7.003
206 HA SER 29 HA SER 29 -4.876 6.521 -8.425
207 HB2 SER 29 HB2 SER 29 -6.918 5.701 -8.924
208 HB3 SER 29 HB3 SER 29 -6.035 4.173 -8.972
209 HG SER 29 HG SER 29 -8.009 4.955 -7.301
210 H ASN 30 H ASN 30 -6.095 7.874 -7.164
211 HA ASN 30 HA ASN 30 -6.908 8.890 -5.283
212 HB2 ASN 30 HB2 ASN 30 -7.422 6.288 -4.735
213 HB3 ASN 30 HB3 ASN 30 -6.301 6.665 -3.433
214 HD21 ASN 30 HD21 ASN 30 -6.828 8.448 -2.031
215 HD22 ASN 30 HD22 ASN 30 -8.484 8.861 -1.760
216 H THR 31 H THR 31 -3.855 7.491 -5.556
217 HA THR 31 HA THR 31 -1.884 7.685 -4.386
218 HB THR 31 HB THR 31 -1.951 9.435 -6.110
219 HG1 THR 31 HG1 THR 31 -0.678 10.297 -3.729
220 HG21 THR 31 HG21 THR 31 -2.161 11.796 -4.694
221 HG22 THR 31 HG22 THR 31 -3.538 10.839 -4.148
222 HG23 THR 31 HG23 THR 31 -3.314 11.162 -5.867
223 HA PRO 32 HA PRO 32 -3.140 9.237 -0.222
224 HB2 PRO 32 HB2 PRO 32 -4.762 7.415 0.781
225 HB3 PRO 32 HB3 PRO 32 -5.348 8.502 -0.486
226 HG2 PRO 32 HG2 PRO 32 -4.698 5.622 -0.627
227 HG3 PRO 32 HG3 PRO 32 -5.787 6.583 -1.645
228 HD2 PRO 32 HD2 PRO 32 -2.955 5.896 -2.149
229 HD3 PRO 32 HD3 PRO 32 -4.106 6.674 -3.255
230 HA PRO 33 HA PRO 33 -0.594 5.354 1.077
231 HB2 PRO 33 HB2 PRO 33 1.682 5.242 -0.277
232 HB3 PRO 33 HB3 PRO 33 0.190 4.602 -0.979
233 HG2 PRO 33 HG2 PRO 33 1.547 7.223 -1.487
234 HG3 PRO 33 HG3 PRO 33 0.834 6.090 -2.650
235 HD2 PRO 33 HD2 PRO 33 -0.440 8.336 -1.699
236 HD3 PRO 33 HD3 PRO 33 -1.268 6.900 -2.331
237 H LEU 34 H LEU 34 -0.575 6.925 2.860
238 HA LEU 34 HA LEU 34 1.608 8.769 3.014
239 HB2 LEU 34 HB2 LEU 34 0.214 7.797 5.492
240 HB3 LEU 34 HB3 LEU 34 0.893 9.371 5.151
241 HG LEU 34 HG LEU 34 -1.285 8.781 3.344
242 HD11 LEU 34 HD11 LEU 34 -1.750 7.570 5.712
243 HD12 LEU 34 HD12 LEU 34 -3.010 8.261 4.689
244 HD13 LEU 34 HD13 LEU 34 -2.367 9.188 6.045
245 HD21 LEU 34 HD21 LEU 34 -2.090 10.944 4.207
246 HD22 LEU 34 HD22 LEU 34 -0.403 11.002 3.695
247 HD23 LEU 34 HD23 LEU 34 -0.802 10.918 5.411
248 H THR 35 H THR 35 1.005 5.588 4.547
249 HA THR 35 HA THR 35 3.769 5.502 5.409
250 HB THR 35 HB THR 35 2.057 4.644 6.931
251 HG1 THR 35 HG1 THR 35 3.060 2.717 7.384
252 HG21 THR 35 HG21 THR 35 1.306 2.190 5.969
253 HG22 THR 35 HG22 THR 35 1.120 3.244 4.567
254 HG23 THR 35 HG23 THR 35 0.283 3.623 6.073
255 H CYS 36 H CYS 36 2.296 5.116 2.540
256 HA CYS 36 HA CYS 36 4.084 2.927 1.735
257 HB2 CYS 36 HB2 CYS 36 1.298 3.582 0.812
258 HB3 CYS 36 HB3 CYS 36 2.383 2.598 -0.163
259 H GLN 37 H GLN 37 3.548 6.198 1.475
260 HA GLN 37 HA GLN 37 3.814 6.911 -1.138
261 HB2 GLN 37 HB2 GLN 37 3.876 8.275 1.175
262 HB3 GLN 37 HB3 GLN 37 5.582 8.348 0.766
263 HG2 GLN 37 HG2 GLN 37 4.217 10.296 0.016
264 HG3 GLN 37 HG3 GLN 37 5.145 9.499 -1.253
265 HE21 GLN 37 HE21 GLN 37 2.011 10.267 -0.047
266 HE22 GLN 37 HE22 GLN 37 1.109 9.678 -1.397
267 H ARG 38 H ARG 38 6.215 5.462 0.889
268 HA ARG 38 HA ARG 38 8.397 5.979 -0.919
269 HB2 ARG 38 HB2 ARG 38 9.322 5.771 1.143
270 HB3 ARG 38 HB3 ARG 38 8.019 4.757 1.737
271 HG2 ARG 38 HG2 ARG 38 9.933 3.426 1.833
272 HG3 ARG 38 HG3 ARG 38 9.072 2.875 0.398
273 HD2 ARG 38 HD2 ARG 38 10.541 4.488 -0.907
274 HD3 ARG 38 HD3 ARG 38 11.506 4.626 0.557
275 HE ARG 38 HE ARG 38 11.019 1.963 -0.579
276 HH11 ARG 38 HH11 ARG 38 13.259 4.552 0.137
277 HH12 ARG 38 HH12 ARG 38 14.661 3.574 -0.132
278 HH21 ARG 38 HH21 ARG 38 12.865 0.687 -0.934
279 HH22 ARG 38 HH22 ARG 38 14.439 1.384 -0.741
280 H TYR 39 H TYR 39 6.213 3.339 -0.147
281 HA TYR 39 HA TYR 39 7.494 1.447 -1.844
282 HB2 TYR 39 HB2 TYR 39 6.179 0.809 0.167
283 HB3 TYR 39 HB3 TYR 39 4.719 1.345 -0.659
284 HD1 TYR 39 HD1 TYR 39 4.067 0.177 -2.816
285 HD2 TYR 39 HD2 TYR 39 7.023 -1.355 -0.170
286 HE1 TYR 39 HE1 TYR 39 3.837 -2.039 -3.852
287 HE2 TYR 39 HE2 TYR 39 6.798 -3.578 -1.195
288 HH TYR 39 HH TYR 39 5.917 -4.345 -3.754
289 H CYS 40 H CYS 40 4.661 3.540 -2.126
290 HA CYS 40 HA CYS 40 3.676 2.496 -4.531
291 HB2 CYS 40 HB2 CYS 40 2.390 4.092 -3.160
292 HB3 CYS 40 HB3 CYS 40 3.534 5.367 -3.572
293 H ASN 41 H ASN 41 6.106 4.997 -3.933
294 HA ASN 41 HA ASN 41 6.508 5.522 -6.689
295 HB2 ASN 41 HB2 ASN 41 7.715 7.268 -5.947
296 HB3 ASN 41 HB3 ASN 41 7.253 6.772 -4.325
297 HD21 ASN 41 HD21 ASN 41 8.711 4.755 -3.640
298 HD22 ASN 41 HD22 ASN 41 10.405 5.063 -3.784
299 H ALA 42 H ALA 42 7.407 3.035 -4.655
300 HA ALA 42 HA ALA 42 9.517 2.171 -6.511
301 HB1 ALA 42 HB1 ALA 42 10.132 0.629 -4.502
302 HB2 ALA 42 HB2 ALA 42 9.226 1.812 -3.558
303 HB3 ALA 42 HB3 ALA 42 10.634 2.320 -4.490
304 H SER 43 H SER 43 6.615 1.876 -6.689
305 HA SER 43 HA SER 43 6.531 -1.027 -6.987
306 HB2 SER 43 HB2 SER 43 5.268 -0.274 -4.929
307 HB3 SER 43 HB3 SER 43 4.165 0.574 -6.012
308 HG SER 43 HG SER 43 3.946 -1.574 -7.063
309 H VAL 44 H VAL 44 5.677 2.129 -8.144
310 HA VAL 44 HA VAL 44 4.823 0.928 -10.654
311 HB VAL 44 HB VAL 44 3.345 3.260 -9.441
312 HG11 VAL 44 HG11 VAL 44 1.923 3.172 -11.261
313 HG12 VAL 44 HG12 VAL 44 2.351 1.505 -11.647
314 HG13 VAL 44 HG13 VAL 44 3.485 2.810 -11.996
315 HG21 VAL 44 HG21 VAL 44 1.561 1.789 -8.855
316 HG22 VAL 44 HG22 VAL 44 3.039 1.131 -8.154
317 HG23 VAL 44 HG23 VAL 44 2.363 0.417 -9.618
318 H THR 45 H THR 45 7.267 1.745 -10.486
319 HA THR 45 HA THR 45 8.298 4.089 -10.588
320 HB THR 45 HB THR 45 9.070 2.887 -13.088
321 HG1 THR 45 HG1 THR 45 8.374 0.947 -12.477
322 HG21 THR 45 HG21 THR 45 11.001 3.587 -12.282
323 HG22 THR 45 HG22 THR 45 10.949 2.257 -11.124
324 HG23 THR 45 HG23 THR 45 10.300 3.837 -10.683
325 H ASN 46 H ASN 46 8.539 5.907 -11.922
326 HA ASN 46 HA ASN 46 7.305 6.169 -14.448
327 HB2 ASN 46 HB2 ASN 46 5.485 6.360 -12.376
328 HB3 ASN 46 HB3 ASN 46 5.877 8.043 -12.715
329 HD21 ASN 46 HD21 ASN 46 3.409 6.519 -13.158
330 HD22 ASN 46 HD22 ASN 46 3.054 6.681 -14.841
331 H SER 47 H SER 47 7.172 8.594 -15.070
332 HA SER 47 HA SER 47 8.212 10.597 -15.358
333 HB2 SER 47 HB2 SER 47 7.916 10.463 -12.678
334 HB3 SER 47 HB3 SER 47 9.675 10.525 -12.781
335 HG SER 47 HG SER 47 8.826 12.615 -12.684
336 H VAL 48 H VAL 48 10.163 11.378 -16.139
337 HA VAL 48 HA VAL 48 12.119 11.197 -17.208
338 HB VAL 48 HB VAL 48 14.056 10.360 -15.896
339 HG11 VAL 48 HG11 VAL 48 13.310 12.722 -15.966
340 HG12 VAL 48 HG12 VAL 48 14.136 12.294 -14.468
341 HG13 VAL 48 HG13 VAL 48 12.378 12.435 -14.496
342 HG21 VAL 48 HG21 VAL 48 12.852 8.778 -14.444
343 HG22 VAL 48 HG22 VAL 48 12.051 10.135 -13.653
344 HG23 VAL 48 HG23 VAL 48 13.798 9.941 -13.519
345 H LYS 49 H LYS 49 11.687 9.939 -18.800
346 HA LYS 49 HA LYS 49 11.901 8.176 -20.238
347 HB2 LYS 49 HB2 LYS 49 14.148 8.075 -18.703
348 HB3 LYS 49 HB3 LYS 49 13.469 6.481 -18.407
349 HG2 LYS 49 HG2 LYS 49 14.251 5.764 -20.344
350 HG3 LYS 49 HG3 LYS 49 13.332 7.005 -21.198
351 HD2 LYS 49 HD2 LYS 49 15.755 7.998 -19.882
352 HD3 LYS 49 HD3 LYS 49 16.059 6.812 -21.151
353 HE2 LYS 49 HE2 LYS 49 14.130 8.516 -22.216
354 HE3 LYS 49 HE3 LYS 49 15.248 9.580 -21.364
355 HZ1 LYS 49 HZ1 LYS 49 15.611 8.623 -23.860
356 HZ2 LYS 49 HZ2 LYS 49 16.548 7.554 -22.944
357 HZ3 LYS 49 HZ3 LYS 49 16.842 9.217 -22.864
358 H CY1 50 H CY1 50 11.207 5.965 -20.598
359 HA CY1 50 HA CY1 50 9.794 4.667 -18.408
360 HB2 CY1 50 HB2 CY1 50 8.477 6.170 -20.538
361 HB3 CY1 50 HB3 CY1 50 7.923 4.501 -20.447
362 HD2 CY1 50 HD2 CY1 50 7.999 3.784 -17.956
363 HD3 CY1 50 HD3 CY1 50 6.615 4.131 -16.763
364 HE CY1 50 HE CY1 50 6.199 2.400 -18.725
365 HM1 CY1 50 HM1 CY1 50 3.784 3.428 -20.826
366 HM2 CY1 50 HM2 CY1 50 3.215 2.546 -19.370
367 HM3 CY1 50 HM3 CY1 50 4.675 2.051 -20.205
368 HN1 NH2 51 HN1 NH2 51 11.037 2.836 -18.567
369 HN2 NH2 51 HN2 NH2 51 11.100 1.831 -19.971
Start of MODEL 2
1 H1 LEU 1 H1 LEU 1 -3.177 -0.506 16.275
2 H2 LEU 1 H2 LEU 1 -2.573 1.085 16.500
3 H3 LEU 1 H3 LEU 1 -2.445 -0.072 17.762
4 HA LEU 1 HA LEU 1 -0.394 0.398 16.475
5 HB2 LEU 1 HB2 LEU 1 -1.661 -2.213 17.094
6 HB3 LEU 1 HB3 LEU 1 -0.188 -2.262 16.144
7 HG LEU 1 HG LEU 1 0.525 -0.577 18.181
8 HD11 LEU 1 HD11 LEU 1 -1.627 -1.043 19.315
9 HD12 LEU 1 HD12 LEU 1 -0.218 -1.532 20.257
10 HD13 LEU 1 HD13 LEU 1 -1.173 -2.746 19.404
11 HD21 LEU 1 HD21 LEU 1 1.826 -2.441 19.016
12 HD22 LEU 1 HD22 LEU 1 1.808 -2.464 17.252
13 HD23 LEU 1 HD23 LEU 1 0.788 -3.582 18.158
14 H GLN 2 H GLN 2 -2.423 -2.039 14.834
15 HA GLN 2 HA GLN 2 -2.753 -2.518 12.637
16 HB2 GLN 2 HB2 GLN 2 -1.754 0.246 11.977
17 HB3 GLN 2 HB3 GLN 2 -2.896 -0.741 11.076
18 HG2 GLN 2 HG2 GLN 2 -4.604 0.123 12.178
19 HG3 GLN 2 HG3 GLN 2 -3.879 -0.296 13.728
20 HE21 GLN 2 HE21 GLN 2 -3.159 2.014 11.126
21 HE22 GLN 2 HE22 GLN 2 -3.008 3.390 12.160
22 H MET 3 H MET 3 -1.613 -3.506 11.044
23 HA MET 3 HA MET 3 0.150 -4.176 9.754
24 HB2 MET 3 HB2 MET 3 0.774 -1.707 9.736
25 HB3 MET 3 HB3 MET 3 1.871 -2.079 11.059
26 HG2 MET 3 HG2 MET 3 3.025 -2.032 8.918
27 HG3 MET 3 HG3 MET 3 3.085 -3.632 9.653
28 HE1 MET 3 HE1 MET 3 1.418 -2.288 5.738
29 HE2 MET 3 HE2 MET 3 1.875 -1.305 7.129
30 HE3 MET 3 HE3 MET 3 0.228 -1.920 6.987
31 H ALA 4 H ALA 4 0.040 -4.144 13.078
32 HA ALA 4 HA ALA 4 2.297 -6.037 13.262
33 HB1 ALA 4 HB1 ALA 4 1.300 -4.818 15.743
34 HB2 ALA 4 HB2 ALA 4 2.066 -3.708 14.607
35 HB3 ALA 4 HB3 ALA 4 2.953 -5.113 15.201
36 H GLY 5 H GLY 5 0.802 -7.722 12.582
37 HA2 GLY 5 HA2 GLY 5 -0.324 -9.101 14.795
38 HA3 GLY 5 HA3 GLY 5 -1.598 -8.378 13.815
39 H GLN 6 H GLN 6 -0.763 -8.721 11.261
40 HA GLN 6 HA GLN 6 0.459 -10.958 10.397
41 HB2 GLN 6 HB2 GLN 6 -1.934 -11.701 11.843
42 HB3 GLN 6 HB3 GLN 6 -2.046 -12.215 10.166
43 HG2 GLN 6 HG2 GLN 6 0.340 -13.153 10.568
44 HG3 GLN 6 HG3 GLN 6 -0.099 -13.038 12.271
45 HE21 GLN 6 HE21 GLN 6 -0.428 -14.794 9.374
46 HE22 GLN 6 HE22 GLN 6 -1.506 -16.012 9.957
47 H CYS 7 H CYS 7 0.564 -9.121 8.956
48 HA CYS 7 HA CYS 7 -1.708 -8.956 7.097
49 HB2 CYS 7 HB2 CYS 7 0.602 -7.099 7.631
50 HB3 CYS 7 HB3 CYS 7 -0.370 -6.958 6.169
51 H SER 8 H SER 8 -1.508 -9.496 4.973
52 HA SER 8 HA SER 8 0.536 -11.293 4.218
53 HB2 SER 8 HB2 SER 8 -1.287 -9.737 2.371
54 HB3 SER 8 HB3 SER 8 -0.440 -11.236 2.001
55 HG SER 8 HG SER 8 -2.329 -11.027 4.098
56 H GLN 9 H GLN 9 2.026 -10.976 2.409
57 HA GLN 9 HA GLN 9 3.829 -8.992 2.892
58 HB2 GLN 9 HB2 GLN 9 4.885 -9.529 0.784
59 HB3 GLN 9 HB3 GLN 9 4.290 -11.007 1.526
60 HG2 GLN 9 HG2 GLN 9 2.863 -11.421 -0.146
61 HG3 GLN 9 HG3 GLN 9 2.396 -9.729 -0.302
62 HE21 GLN 9 HE21 GLN 9 2.967 -11.642 -2.390
63 HE22 GLN 9 HE22 GLN 9 4.279 -10.995 -3.308
64 H ASN 10 H ASN 10 4.283 -7.015 2.218
65 HA ASN 10 HA ASN 10 3.754 -4.869 1.723
66 HB2 ASN 10 HB2 ASN 10 3.195 -4.500 -0.727
67 HB3 ASN 10 HB3 ASN 10 4.626 -5.492 -0.451
68 HD21 ASN 10 HD21 ASN 10 1.113 -5.805 -0.965
69 HD22 ASN 10 HD22 ASN 10 1.223 -7.235 -1.926
70 H GLU 11 H GLU 11 1.645 -6.296 3.050
71 HA GLU 11 HA GLU 11 -0.704 -5.032 1.831
72 HB2 GLU 11 HB2 GLU 11 -0.450 -7.545 2.917
73 HB3 GLU 11 HB3 GLU 11 -1.232 -6.638 4.204
74 HG2 GLU 11 HG2 GLU 11 -3.024 -6.013 2.718
75 HG3 GLU 11 HG3 GLU 11 -2.212 -6.786 1.361
76 H TYR 12 H TYR 12 -2.030 -3.567 2.887
77 HA TYR 12 HA TYR 12 -0.696 -2.447 5.291
78 HB2 TYR 12 HB2 TYR 12 -1.179 -0.275 4.653
79 HB3 TYR 12 HB3 TYR 12 -0.706 -1.048 3.150
80 HD1 TYR 12 HD1 TYR 12 -2.339 -1.422 1.384
81 HD2 TYR 12 HD2 TYR 12 -3.450 0.469 5.025
82 HE1 TYR 12 HE1 TYR 12 -4.406 -0.618 0.328
83 HE2 TYR 12 HE2 TYR 12 -5.519 1.283 3.978
84 HH TYR 12 HH TYR 12 -6.368 1.763 1.703
85 H PHE 13 H PHE 13 -1.690 -2.546 7.079
86 HA PHE 13 HA PHE 13 -4.380 -3.508 7.313
87 HB2 PHE 13 HB2 PHE 13 -2.216 -3.776 8.853
88 HB3 PHE 13 HB3 PHE 13 -2.891 -2.355 9.636
89 HD1 PHE 13 HD1 PHE 13 -5.830 -3.149 9.187
90 HD2 PHE 13 HD2 PHE 13 -2.448 -5.258 10.675
91 HE1 PHE 13 HE1 PHE 13 -7.312 -4.588 10.521
92 HE2 PHE 13 HE2 PHE 13 -3.927 -6.702 12.005
93 HZ PHE 13 HZ PHE 13 -6.363 -6.369 11.927
94 H ASP 14 H ASP 14 -5.752 -1.898 6.446
95 HA ASP 14 HA ASP 14 -5.613 0.845 7.231
96 HB2 ASP 14 HB2 ASP 14 -6.883 -0.449 5.219
97 HB3 ASP 14 HB3 ASP 14 -8.221 -0.223 6.339
98 H SER 15 H SER 15 -5.748 1.243 9.369
99 HA SER 15 HA SER 15 -7.164 -0.147 11.279
100 HB2 SER 15 HB2 SER 15 -6.885 1.730 12.724
101 HB3 SER 15 HB3 SER 15 -5.488 1.741 11.651
102 HG SER 15 HG SER 15 -6.746 3.264 10.347
103 H LEU 16 H LEU 16 -8.334 2.019 8.865
104 HA LEU 16 HA LEU 16 -10.875 2.483 10.167
105 HB2 LEU 16 HB2 LEU 16 -9.852 4.166 8.675
106 HB3 LEU 16 HB3 LEU 16 -10.007 3.051 7.331
107 HG LEU 16 HG LEU 16 -12.582 3.322 8.494
108 HD11 LEU 16 HD11 LEU 16 -11.820 6.027 7.621
109 HD12 LEU 16 HD12 LEU 16 -11.239 5.542 9.214
110 HD13 LEU 16 HD13 LEU 16 -12.965 5.509 8.858
111 HD21 LEU 16 HD21 LEU 16 -11.527 3.075 6.025
112 HD22 LEU 16 HD22 LEU 16 -11.967 4.782 6.012
113 HD23 LEU 16 HD23 LEU 16 -13.194 3.558 6.339
114 H LEU 17 H LEU 17 -9.495 0.229 7.921
115 HA LEU 17 HA LEU 17 -12.125 -0.874 7.257
116 HB2 LEU 17 HB2 LEU 17 -9.397 -1.580 6.179
117 HB3 LEU 17 HB3 LEU 17 -10.934 -2.166 5.569
118 HG LEU 17 HG LEU 17 -9.982 0.698 5.486
119 HD11 LEU 17 HD11 LEU 17 -9.866 -1.562 3.585
120 HD12 LEU 17 HD12 LEU 17 -8.791 -0.177 3.773
121 HD13 LEU 17 HD13 LEU 17 -10.328 0.009 2.928
122 HD21 LEU 17 HD21 LEU 17 -12.409 0.528 5.756
123 HD22 LEU 17 HD22 LEU 17 -12.487 -0.553 4.365
124 HD23 LEU 17 HD23 LEU 17 -11.975 1.121 4.152
125 H HIS 18 H HIS 18 -9.358 -1.490 9.251
126 HA HIS 18 HA HIS 18 -8.835 -3.192 10.677
127 HB2 HIS 18 HB2 HIS 18 -11.736 -3.905 10.246
128 HB3 HIS 18 HB3 HIS 18 -10.699 -4.631 11.465
129 HD1 HIS 18 HD1 HIS 18 -12.942 -1.820 10.901
130 HD2 HIS 18 HD2 HIS 18 -9.797 -2.697 13.471
131 HE1 HIS 18 HE1 HIS 18 -13.120 -0.151 12.773
132 HE2 HIS 18 HE2 HIS 18 -11.154 -0.645 14.270
133 H ALA 19 H ALA 19 -8.018 -3.549 8.181
134 HA ALA 19 HA ALA 19 -7.781 -6.350 7.911
135 HB1 ALA 19 HB1 ALA 19 -8.605 -5.549 5.325
136 HB2 ALA 19 HB2 ALA 19 -9.872 -5.080 6.468
137 HB3 ALA 19 HB3 ALA 19 -9.338 -6.760 6.382
138 H CYS 20 H CYS 20 -6.171 -6.888 6.556
139 HA CYS 20 HA CYS 20 -4.320 -4.772 5.896
140 HB2 CYS 20 HB2 CYS 20 -3.911 -7.744 5.490
141 HB3 CYS 20 HB3 CYS 20 -2.671 -6.495 5.523
142 H ILE 21 H ILE 21 -4.624 -3.771 4.072
143 HA ILE 21 HA ILE 21 -5.668 -5.226 1.739
144 HB ILE 21 HB ILE 21 -5.645 -2.307 2.470
145 HG12 ILE 21 HG12 ILE 21 -8.062 -2.483 2.386
146 HG13 ILE 21 HG13 ILE 21 -7.962 -4.124 1.763
147 HG21 ILE 21 HG21 ILE 21 -5.163 -2.789 -0.017
148 HG22 ILE 21 HG22 ILE 21 -6.455 -1.661 0.379
149 HG23 ILE 21 HG23 ILE 21 -6.845 -3.312 -0.090
150 HD11 ILE 21 HD11 ILE 21 -6.735 -3.514 4.391
151 HD12 ILE 21 HD12 ILE 21 -7.455 -5.009 3.803
152 HD13 ILE 21 HD13 ILE 21 -8.487 -3.658 4.276
153 HA PRO 22 HA PRO 22 -1.767 -4.943 -0.283
154 HB2 PRO 22 HB2 PRO 22 -2.626 -4.699 -2.897
155 HB3 PRO 22 HB3 PRO 22 -2.519 -6.232 -2.025
156 HG2 PRO 22 HG2 PRO 22 -4.892 -4.468 -2.486
157 HG3 PRO 22 HG3 PRO 22 -4.777 -6.238 -2.570
158 HD2 PRO 22 HD2 PRO 22 -5.835 -5.015 -0.421
159 HD3 PRO 22 HD3 PRO 22 -4.842 -6.477 -0.251
160 H CYS 23 H CYS 23 -0.497 -3.480 -1.697
161 HA CYS 23 HA CYS 23 -1.579 -0.720 -1.617
162 HB2 CYS 23 HB2 CYS 23 0.345 -1.279 0.022
163 HB3 CYS 23 HB3 CYS 23 1.377 -1.295 -1.411
164 H GLN 24 H GLN 24 -0.053 -3.150 -3.523
165 HA GLN 24 HA GLN 24 0.971 -1.450 -5.557
166 HB2 GLN 24 HB2 GLN 24 0.106 -4.177 -6.319
167 HB3 GLN 24 HB3 GLN 24 1.619 -3.348 -6.648
168 HG2 GLN 24 HG2 GLN 24 2.168 -3.699 -4.194
169 HG3 GLN 24 HG3 GLN 24 0.796 -4.807 -4.163
170 HE21 GLN 24 HE21 GLN 24 0.972 -6.091 -6.521
171 HE22 GLN 24 HE22 GLN 24 2.446 -6.987 -6.620
172 H LEU 25 H LEU 25 -1.986 -3.294 -5.210
173 HA LEU 25 HA LEU 25 -3.107 -2.477 -7.675
174 HB2 LEU 25 HB2 LEU 25 -3.713 -4.548 -6.395
175 HB3 LEU 25 HB3 LEU 25 -4.574 -3.522 -5.263
176 HG LEU 25 HG LEU 25 -5.697 -2.736 -7.613
177 HD11 LEU 25 HD11 LEU 25 -4.278 -4.711 -8.593
178 HD12 LEU 25 HD12 LEU 25 -5.932 -4.429 -9.136
179 HD13 LEU 25 HD13 LEU 25 -5.596 -5.692 -7.951
180 HD21 LEU 25 HD21 LEU 25 -7.605 -3.582 -6.728
181 HD22 LEU 25 HD22 LEU 25 -6.572 -3.760 -5.309
182 HD23 LEU 25 HD23 LEU 25 -6.874 -5.145 -6.360
183 H ARG 26 H ARG 26 -2.642 -0.788 -4.814
184 HA ARG 26 HA ARG 26 -4.857 1.015 -5.440
185 HB2 ARG 26 HB2 ARG 26 -3.493 0.876 -2.775
186 HB3 ARG 26 HB3 ARG 26 -5.036 1.626 -3.160
187 HG2 ARG 26 HG2 ARG 26 -5.304 -1.069 -3.871
188 HG3 ARG 26 HG3 ARG 26 -4.473 -1.057 -2.314
189 HD2 ARG 26 HD2 ARG 26 -6.571 -0.944 -1.509
190 HD3 ARG 26 HD3 ARG 26 -6.361 0.775 -1.821
191 HE ARG 26 HE ARG 26 -7.366 -0.504 -4.135
192 HH11 ARG 26 HH11 ARG 26 -8.363 0.510 -0.947
193 HH12 ARG 26 HH12 ARG 26 -10.025 0.708 -1.394
194 HH21 ARG 26 HH21 ARG 26 -9.550 -0.243 -4.724
195 HH22 ARG 26 HH22 ARG 26 -10.699 0.280 -3.538
196 H CYS 27 H CYS 27 -1.652 0.714 -5.703
197 HA CYS 27 HA CYS 27 -0.767 3.325 -4.963
198 HB2 CYS 27 HB2 CYS 27 0.833 1.475 -5.058
199 HB3 CYS 27 HB3 CYS 27 0.545 1.294 -6.788
200 H SER 28 H SER 28 -2.173 1.942 -7.817
201 HA SER 28 HA SER 28 -1.435 4.074 -9.504
202 HB2 SER 28 HB2 SER 28 -2.699 2.922 -11.234
203 HB3 SER 28 HB3 SER 28 -1.666 1.781 -10.373
204 HG SER 28 HG SER 28 -4.425 2.212 -9.859
205 H SER 29 H SER 29 -3.281 4.415 -7.059
206 HA SER 29 HA SER 29 -5.160 6.174 -8.399
207 HB2 SER 29 HB2 SER 29 -6.061 3.739 -7.628
208 HB3 SER 29 HB3 SER 29 -6.302 4.648 -6.135
209 HG SER 29 HG SER 29 -8.122 4.767 -7.515
210 H ASN 30 H ASN 30 -6.474 7.227 -6.462
211 HA ASN 30 HA ASN 30 -4.755 8.929 -5.176
212 HB2 ASN 30 HB2 ASN 30 -7.233 9.268 -5.634
213 HB3 ASN 30 HB3 ASN 30 -7.530 8.314 -4.184
214 HD21 ASN 30 HD21 ASN 30 -8.080 9.596 -2.587
215 HD22 ASN 30 HD22 ASN 30 -7.348 11.110 -2.193
216 H THR 31 H THR 31 -6.601 6.227 -3.868
217 HA THR 31 HA THR 31 -6.530 5.522 -1.577
218 HB THR 31 HB THR 31 -4.269 4.376 -3.186
219 HG1 THR 31 HG1 THR 31 -6.962 3.640 -2.776
220 HG21 THR 31 HG21 THR 31 -3.669 3.078 -1.504
221 HG22 THR 31 HG22 THR 31 -5.321 2.476 -1.374
222 HG23 THR 31 HG23 THR 31 -4.825 3.895 -0.452
223 HA PRO 32 HA PRO 32 -3.447 8.857 -0.117
224 HB2 PRO 32 HB2 PRO 32 -4.955 8.475 2.332
225 HB3 PRO 32 HB3 PRO 32 -4.808 9.924 1.339
226 HG2 PRO 32 HG2 PRO 32 -6.920 7.881 1.375
227 HG3 PRO 32 HG3 PRO 32 -6.980 9.550 0.770
228 HD2 PRO 32 HD2 PRO 32 -7.002 7.437 -0.951
229 HD3 PRO 32 HD3 PRO 32 -6.127 8.935 -1.356
230 HA PRO 33 HA PRO 33 -1.427 5.282 1.882
231 HB2 PRO 33 HB2 PRO 33 0.784 5.257 0.373
232 HB3 PRO 33 HB3 PRO 33 -0.737 4.568 -0.201
233 HG2 PRO 33 HG2 PRO 33 0.633 7.045 -1.020
234 HG3 PRO 33 HG3 PRO 33 -0.540 6.063 -1.909
235 HD2 PRO 33 HD2 PRO 33 -1.004 8.482 -0.428
236 HD3 PRO 33 HD3 PRO 33 -2.177 7.511 -1.337
237 H LEU 34 H LEU 34 -1.301 6.849 3.699
238 HA LEU 34 HA LEU 34 0.903 8.628 3.819
239 HB2 LEU 34 HB2 LEU 34 -0.462 7.460 6.244
240 HB3 LEU 34 HB3 LEU 34 0.382 8.989 6.114
241 HG LEU 34 HG LEU 34 -2.294 8.287 4.913
242 HD11 LEU 34 HD11 LEU 34 -1.381 10.067 7.147
243 HD12 LEU 34 HD12 LEU 34 -2.602 8.794 7.173
244 HD13 LEU 34 HD13 LEU 34 -2.928 10.312 6.335
245 HD21 LEU 34 HD21 LEU 34 -0.346 10.180 4.010
246 HD22 LEU 34 HD22 LEU 34 -1.750 11.038 4.645
247 HD23 LEU 34 HD23 LEU 34 -1.952 9.841 3.366
248 H THR 35 H THR 35 0.445 5.334 5.133
249 HA THR 35 HA THR 35 3.259 5.259 5.827
250 HB THR 35 HB THR 35 1.600 4.287 7.382
251 HG1 THR 35 HG1 THR 35 3.447 2.522 6.171
252 HG21 THR 35 HG21 THR 35 0.478 3.145 5.084
253 HG22 THR 35 HG22 THR 35 -0.029 2.937 6.760
254 HG23 THR 35 HG23 THR 35 1.125 1.813 6.041
255 H CYS 36 H CYS 36 1.637 5.042 3.030
256 HA CYS 36 HA CYS 36 3.339 2.868 2.025
257 HB2 CYS 36 HB2 CYS 36 0.540 3.161 1.843
258 HB3 CYS 36 HB3 CYS 36 1.178 3.441 0.227
259 H GLN 37 H GLN 37 2.683 6.206 1.832
260 HA GLN 37 HA GLN 37 3.043 6.989 -0.726
261 HB2 GLN 37 HB2 GLN 37 4.441 8.923 0.236
262 HB3 GLN 37 HB3 GLN 37 2.825 8.707 0.903
263 HG2 GLN 37 HG2 GLN 37 4.052 7.280 2.695
264 HG3 GLN 37 HG3 GLN 37 5.480 8.153 2.142
265 HE21 GLN 37 HE21 GLN 37 5.624 9.088 4.227
266 HE22 GLN 37 HE22 GLN 37 4.605 10.407 4.679
267 H ARG 38 H ARG 38 5.680 6.207 1.466
268 HA ARG 38 HA ARG 38 7.787 6.555 -0.335
269 HB2 ARG 38 HB2 ARG 38 7.423 5.469 2.317
270 HB3 ARG 38 HB3 ARG 38 8.547 4.476 1.400
271 HG2 ARG 38 HG2 ARG 38 9.906 6.450 0.925
272 HG3 ARG 38 HG3 ARG 38 8.777 7.446 1.846
273 HD2 ARG 38 HD2 ARG 38 9.690 6.850 3.786
274 HD3 ARG 38 HD3 ARG 38 9.655 5.145 3.360
275 HE ARG 38 HE ARG 38 11.834 5.308 2.543
276 HH11 ARG 38 HH11 ARG 38 10.656 8.442 3.548
277 HH12 ARG 38 HH12 ARG 38 12.227 9.169 3.539
278 HH21 ARG 38 HH21 ARG 38 13.895 6.270 2.532
279 HH22 ARG 38 HH22 ARG 38 14.063 7.939 2.962
280 H TYR 39 H TYR 39 5.709 3.777 0.275
281 HA TYR 39 HA TYR 39 7.225 2.029 -1.390
282 HB2 TYR 39 HB2 TYR 39 5.732 1.395 0.620
283 HB3 TYR 39 HB3 TYR 39 4.398 1.502 -0.524
284 HD1 TYR 39 HD1 TYR 39 4.291 -0.052 -2.448
285 HD2 TYR 39 HD2 TYR 39 7.254 -0.445 0.581
286 HE1 TYR 39 HE1 TYR 39 4.764 -2.339 -3.216
287 HE2 TYR 39 HE2 TYR 39 7.733 -2.734 -0.177
288 HH TYR 39 HH TYR 39 6.440 -4.566 -1.437
289 H CYS 40 H CYS 40 4.126 3.720 -1.740
290 HA CYS 40 HA CYS 40 3.514 2.670 -4.272
291 HB2 CYS 40 HB2 CYS 40 1.841 3.865 -2.917
292 HB3 CYS 40 HB3 CYS 40 2.731 5.369 -3.139
293 H ASN 41 H ASN 41 5.361 5.526 -3.310
294 HA ASN 41 HA ASN 41 5.828 6.357 -5.976
295 HB2 ASN 41 HB2 ASN 41 6.687 8.214 -5.028
296 HB3 ASN 41 HB3 ASN 41 6.150 7.531 -3.500
297 HD21 ASN 41 HD21 ASN 41 7.874 5.672 -2.846
298 HD22 ASN 41 HD22 ASN 41 9.488 6.281 -2.749
299 H ALA 42 H ALA 42 7.093 3.948 -4.017
300 HA ALA 42 HA ALA 42 9.425 3.636 -5.780
301 HB1 ALA 42 HB1 ALA 42 10.180 3.876 -3.530
302 HB2 ALA 42 HB2 ALA 42 10.339 2.171 -3.951
303 HB3 ALA 42 HB3 ALA 42 8.994 2.709 -2.946
304 H SER 43 H SER 43 6.647 2.858 -6.241
305 HA SER 43 HA SER 43 7.093 0.008 -6.717
306 HB2 SER 43 HB2 SER 43 5.534 0.109 -4.884
307 HB3 SER 43 HB3 SER 43 4.548 1.304 -5.728
308 HG SER 43 HG SER 43 3.711 -0.845 -5.874
309 H VAL 44 H VAL 44 5.932 3.067 -7.872
310 HA VAL 44 HA VAL 44 5.620 1.886 -10.510
311 HB VAL 44 HB VAL 44 3.334 1.992 -9.546
312 HG11 VAL 44 HG11 VAL 44 3.481 4.978 -9.668
313 HG12 VAL 44 HG12 VAL 44 3.951 4.116 -8.203
314 HG13 VAL 44 HG13 VAL 44 2.316 3.948 -8.840
315 HG21 VAL 44 HG21 VAL 44 4.203 3.370 -11.988
316 HG22 VAL 44 HG22 VAL 44 2.577 3.783 -11.446
317 HG23 VAL 44 HG23 VAL 44 3.000 2.101 -11.766
318 H THR 45 H THR 45 7.813 3.152 -10.020
319 HA THR 45 HA THR 45 9.179 4.888 -10.570
320 HB THR 45 HB THR 45 7.010 5.602 -12.532
321 HG1 THR 45 HG1 THR 45 9.011 3.611 -12.767
322 HG21 THR 45 HG21 THR 45 8.637 7.181 -12.877
323 HG22 THR 45 HG22 THR 45 9.142 5.904 -13.983
324 HG23 THR 45 HG23 THR 45 9.944 6.086 -12.423
325 H ASN 46 H ASN 46 9.261 7.363 -10.905
326 HA ASN 46 HA ASN 46 7.183 8.704 -9.361
327 HB2 ASN 46 HB2 ASN 46 8.992 10.029 -8.221
328 HB3 ASN 46 HB3 ASN 46 8.932 8.330 -7.764
329 HD21 ASN 46 HD21 ASN 46 10.558 10.617 -9.899
330 HD22 ASN 46 HD22 ASN 46 12.067 9.777 -9.947
331 H SER 47 H SER 47 7.124 11.039 -9.667
332 HA SER 47 HA SER 47 7.080 12.906 -10.966
333 HB2 SER 47 HB2 SER 47 9.609 12.612 -10.690
334 HB3 SER 47 HB3 SER 47 9.594 11.918 -12.310
335 HG SER 47 HG SER 47 10.009 14.129 -12.432
336 H VAL 48 H VAL 48 6.347 13.610 -12.982
337 HA VAL 48 HA VAL 48 6.497 12.447 -15.429
338 HB VAL 48 HB VAL 48 4.066 11.461 -15.449
339 HG11 VAL 48 HG11 VAL 48 6.627 10.412 -15.598
340 HG12 VAL 48 HG12 VAL 48 5.129 9.624 -16.095
341 HG13 VAL 48 HG13 VAL 48 5.777 9.347 -14.478
342 HG21 VAL 48 HG21 VAL 48 3.303 10.412 -13.544
343 HG22 VAL 48 HG22 VAL 48 4.025 11.873 -12.870
344 HG23 VAL 48 HG23 VAL 48 4.905 10.346 -12.810
345 H LYS 49 H LYS 49 6.258 14.406 -16.193
346 HA LYS 49 HA LYS 49 5.315 16.359 -16.899
347 HB2 LYS 49 HB2 LYS 49 3.679 14.613 -17.777
348 HB3 LYS 49 HB3 LYS 49 2.652 15.032 -16.411
349 HG2 LYS 49 HG2 LYS 49 3.518 17.383 -17.858
350 HG3 LYS 49 HG3 LYS 49 2.678 16.237 -18.904
351 HD2 LYS 49 HD2 LYS 49 1.408 16.658 -16.292
352 HD3 LYS 49 HD3 LYS 49 1.461 18.093 -17.318
353 HE2 LYS 49 HE2 LYS 49 0.579 15.493 -18.487
354 HE3 LYS 49 HE3 LYS 49 -0.541 16.407 -17.476
355 HZ1 LYS 49 HZ1 LYS 49 -0.850 17.006 -19.763
356 HZ2 LYS 49 HZ2 LYS 49 0.792 17.369 -19.948
357 HZ3 LYS 49 HZ3 LYS 49 -0.178 18.327 -18.946
358 H CY1 50 H CY1 50 5.923 17.706 -15.226
359 HA CY1 50 HA CY1 50 3.773 18.726 -13.615
360 HB2 CY1 50 HB2 CY1 50 4.677 16.780 -12.287
361 HB3 CY1 50 HB3 CY1 50 6.199 17.657 -12.169
362 HD2 CY1 50 HD2 CY1 50 2.819 17.271 -11.085
363 HD3 CY1 50 HD3 CY1 50 3.957 16.859 -9.573
364 HE CY1 50 HE CY1 50 2.308 19.172 -9.347
365 HM1 CY1 50 HM1 CY1 50 -0.233 18.319 -7.746
366 HM2 CY1 50 HM2 CY1 50 1.064 19.556 -7.675
367 HM3 CY1 50 HM3 CY1 50 0.920 18.334 -6.426
368 HN1 NH2 51 HN1 NH2 51 4.312 20.575 -14.926
369 HN2 NH2 51 HN2 NH2 51 5.680 21.555 -14.539
Start of MODEL 3
1 H1 LEU 1 H1 LEU 1 0.691 -4.882 18.403
2 H2 LEU 1 H2 LEU 1 -0.824 -4.321 18.982
3 H3 LEU 1 H3 LEU 1 0.347 -3.204 18.410
4 HA LEU 1 HA LEU 1 -1.164 -3.366 16.718
5 HB2 LEU 1 HB2 LEU 1 1.444 -4.611 16.501
6 HB3 LEU 1 HB3 LEU 1 0.340 -5.255 15.301
7 HG LEU 1 HG LEU 1 0.054 -2.425 15.298
8 HD11 LEU 1 HD11 LEU 1 2.423 -1.916 14.518
9 HD12 LEU 1 HD12 LEU 1 2.893 -3.397 15.353
10 HD13 LEU 1 HD13 LEU 1 2.164 -2.070 16.256
11 HD21 LEU 1 HD21 LEU 1 1.297 -4.350 13.339
12 HD22 LEU 1 HD22 LEU 1 0.855 -2.681 12.978
13 HD23 LEU 1 HD23 LEU 1 -0.394 -3.852 13.402
14 H GLN 2 H GLN 2 -1.646 -5.249 14.840
15 HA GLN 2 HA GLN 2 -2.532 -7.731 15.957
16 HB2 GLN 2 HB2 GLN 2 -4.967 -7.296 15.428
17 HB3 GLN 2 HB3 GLN 2 -4.337 -6.477 16.852
18 HG2 GLN 2 HG2 GLN 2 -3.896 -4.574 15.024
19 HG3 GLN 2 HG3 GLN 2 -5.284 -5.371 14.287
20 HE21 GLN 2 HE21 GLN 2 -7.092 -5.836 15.902
21 HE22 GLN 2 HE22 GLN 2 -7.498 -4.544 16.974
22 H MET 3 H MET 3 -2.761 -9.241 14.401
23 HA MET 3 HA MET 3 -2.987 -10.199 12.339
24 HB2 MET 3 HB2 MET 3 -4.701 -8.315 11.984
25 HB3 MET 3 HB3 MET 3 -3.416 -7.499 11.104
26 HG2 MET 3 HG2 MET 3 -4.895 -8.680 9.589
27 HG3 MET 3 HG3 MET 3 -3.273 -9.368 9.550
28 HE1 MET 3 HE1 MET 3 -6.082 -11.336 8.538
29 HE2 MET 3 HE2 MET 3 -4.884 -12.587 8.871
30 HE3 MET 3 HE3 MET 3 -4.379 -11.041 8.191
31 H ALA 4 H ALA 4 -0.710 -7.982 13.212
32 HA ALA 4 HA ALA 4 0.805 -7.807 10.814
33 HB1 ALA 4 HB1 ALA 4 1.079 -7.017 13.616
34 HB2 ALA 4 HB2 ALA 4 1.521 -6.152 12.144
35 HB3 ALA 4 HB3 ALA 4 2.605 -7.376 12.807
36 H GLY 5 H GLY 5 0.388 -10.311 10.563
37 HA2 GLY 5 HA2 GLY 5 2.854 -11.613 10.653
38 HA3 GLY 5 HA3 GLY 5 1.942 -12.130 12.067
39 H GLN 6 H GLN 6 0.426 -11.314 9.017
40 HA GLN 6 HA GLN 6 0.383 -13.741 7.753
41 HB2 GLN 6 HB2 GLN 6 -1.467 -13.596 10.031
42 HB3 GLN 6 HB3 GLN 6 -2.233 -14.075 8.523
43 HG2 GLN 6 HG2 GLN 6 0.241 -15.497 8.917
44 HG3 GLN 6 HG3 GLN 6 -0.835 -15.695 10.300
45 HE21 GLN 6 HE21 GLN 6 -0.850 -15.792 6.758
46 HE22 GLN 6 HE22 GLN 6 -1.968 -17.103 6.624
47 H CYS 7 H CYS 7 0.653 -11.840 6.401
48 HA CYS 7 HA CYS 7 -1.904 -11.116 5.169
49 HB2 CYS 7 HB2 CYS 7 0.249 -9.098 5.856
50 HB3 CYS 7 HB3 CYS 7 -1.239 -8.758 4.980
51 H SER 8 H SER 8 -1.802 -10.830 2.942
52 HA SER 8 HA SER 8 0.245 -12.079 1.530
53 HB2 SER 8 HB2 SER 8 -1.370 -9.839 0.326
54 HB3 SER 8 HB3 SER 8 -0.757 -11.299 -0.452
55 HG SER 8 HG SER 8 -2.235 -12.425 1.076
56 H GLN 9 H GLN 9 2.083 -11.335 0.527
57 HA GLN 9 HA GLN 9 3.599 -9.473 1.768
58 HB2 GLN 9 HB2 GLN 9 4.081 -11.165 -0.247
59 HB3 GLN 9 HB3 GLN 9 4.018 -9.669 -1.166
60 HG2 GLN 9 HG2 GLN 9 5.699 -8.754 0.504
61 HG3 GLN 9 HG3 GLN 9 5.902 -10.421 1.041
62 HE21 GLN 9 HE21 GLN 9 5.562 -8.847 -2.124
63 HE22 GLN 9 HE22 GLN 9 6.975 -9.557 -2.820
64 H ASN 10 H ASN 10 3.912 -7.435 1.855
65 HA ASN 10 HA ASN 10 3.687 -5.225 1.585
66 HB2 ASN 10 HB2 ASN 10 2.887 -6.003 -1.221
67 HB3 ASN 10 HB3 ASN 10 3.135 -4.344 -0.693
68 HD21 ASN 10 HD21 ASN 10 4.803 -7.490 -0.746
69 HD22 ASN 10 HD22 ASN 10 6.370 -6.834 -1.050
70 H GLU 11 H GLU 11 1.505 -6.775 2.665
71 HA GLU 11 HA GLU 11 -0.827 -5.368 1.656
72 HB2 GLU 11 HB2 GLU 11 -0.489 -7.796 3.047
73 HB3 GLU 11 HB3 GLU 11 -1.453 -6.742 4.064
74 HG2 GLU 11 HG2 GLU 11 -3.175 -6.612 2.546
75 HG3 GLU 11 HG3 GLU 11 -2.142 -7.020 1.178
76 H TYR 12 H TYR 12 -2.070 -3.820 2.674
77 HA TYR 12 HA TYR 12 -0.586 -2.547 4.904
78 HB2 TYR 12 HB2 TYR 12 -1.244 -0.434 4.207
79 HB3 TYR 12 HB3 TYR 12 -0.862 -1.270 2.710
80 HD1 TYR 12 HD1 TYR 12 -3.658 -0.108 4.847
81 HD2 TYR 12 HD2 TYR 12 -2.481 -1.487 1.001
82 HE1 TYR 12 HE1 TYR 12 -5.850 0.546 3.942
83 HE2 TYR 12 HE2 TYR 12 -4.673 -0.845 0.092
84 HH TYR 12 HH TYR 12 -6.762 1.190 1.604
85 H PHE 13 H PHE 13 -1.405 -2.620 6.793
86 HA PHE 13 HA PHE 13 -4.121 -3.521 7.235
87 HB2 PHE 13 HB2 PHE 13 -2.135 -4.360 8.529
88 HB3 PHE 13 HB3 PHE 13 -2.023 -2.772 9.280
89 HD1 PHE 13 HD1 PHE 13 -4.143 -5.768 8.924
90 HD2 PHE 13 HD2 PHE 13 -3.431 -2.164 11.069
91 HE1 PHE 13 HE1 PHE 13 -5.767 -6.471 10.637
92 HE2 PHE 13 HE2 PHE 13 -5.048 -2.860 12.787
93 HZ PHE 13 HZ PHE 13 -6.220 -5.016 12.571
94 H ASP 14 H ASP 14 -5.550 -1.919 6.804
95 HA ASP 14 HA ASP 14 -5.174 0.798 7.672
96 HB2 ASP 14 HB2 ASP 14 -6.925 -0.559 5.914
97 HB3 ASP 14 HB3 ASP 14 -7.935 0.177 7.151
98 H SER 15 H SER 15 -5.029 1.071 9.833
99 HA SER 15 HA SER 15 -6.212 -0.407 11.821
100 HB2 SER 15 HB2 SER 15 -6.013 1.686 13.235
101 HB3 SER 15 HB3 SER 15 -4.534 1.200 12.405
102 HG SER 15 HG SER 15 -6.358 3.148 11.439
103 H LEU 16 H LEU 16 -7.689 1.859 9.685
104 HA LEU 16 HA LEU 16 -10.029 2.264 11.337
105 HB2 LEU 16 HB2 LEU 16 -9.351 4.059 9.878
106 HB3 LEU 16 HB3 LEU 16 -9.400 3.001 8.480
107 HG LEU 16 HG LEU 16 -11.925 3.367 10.011
108 HD11 LEU 16 HD11 LEU 16 -10.542 5.501 8.448
109 HD12 LEU 16 HD12 LEU 16 -11.467 5.623 9.945
110 HD13 LEU 16 HD13 LEU 16 -12.301 5.382 8.410
111 HD21 LEU 16 HD21 LEU 16 -11.108 2.900 7.164
112 HD22 LEU 16 HD22 LEU 16 -12.738 3.429 7.577
113 HD23 LEU 16 HD23 LEU 16 -12.121 1.901 8.206
114 H LEU 17 H LEU 17 -8.988 0.151 8.783
115 HA LEU 17 HA LEU 17 -11.671 -0.988 8.503
116 HB2 LEU 17 HB2 LEU 17 -9.159 -1.494 6.913
117 HB3 LEU 17 HB3 LEU 17 -10.755 -2.128 6.545
118 HG LEU 17 HG LEU 17 -10.138 0.820 6.619
119 HD11 LEU 17 HD11 LEU 17 -9.914 0.771 4.229
120 HD12 LEU 17 HD12 LEU 17 -10.234 -0.962 4.191
121 HD13 LEU 17 HD13 LEU 17 -8.752 -0.357 4.929
122 HD21 LEU 17 HD21 LEU 17 -12.209 1.085 5.487
123 HD22 LEU 17 HD22 LEU 17 -12.511 0.024 6.863
124 HD23 LEU 17 HD23 LEU 17 -12.372 -0.653 5.241
125 H HIS 18 H HIS 18 -8.587 -1.637 9.934
126 HA HIS 18 HA HIS 18 -7.773 -3.408 11.116
127 HB2 HIS 18 HB2 HIS 18 -10.710 -4.072 11.201
128 HB3 HIS 18 HB3 HIS 18 -9.490 -4.981 12.081
129 HD1 HIS 18 HD1 HIS 18 -11.604 -2.006 12.299
130 HD2 HIS 18 HD2 HIS 18 -8.138 -3.400 14.116
131 HE1 HIS 18 HE1 HIS 18 -11.321 -0.606 14.367
132 HE2 HIS 18 HE2 HIS 18 -9.169 -1.408 15.404
133 H ALA 19 H ALA 19 -7.601 -3.578 8.383
134 HA ALA 19 HA ALA 19 -7.441 -6.435 7.997
135 HB1 ALA 19 HB1 ALA 19 -9.630 -5.010 6.950
136 HB2 ALA 19 HB2 ALA 19 -9.159 -6.677 6.616
137 HB3 ALA 19 HB3 ALA 19 -8.554 -5.367 5.594
138 H CYS 20 H CYS 20 -5.445 -6.714 7.307
139 HA CYS 20 HA CYS 20 -3.984 -4.649 6.008
140 HB2 CYS 20 HB2 CYS 20 -2.265 -6.503 5.645
141 HB3 CYS 20 HB3 CYS 20 -2.650 -6.094 7.309
142 H ILE 21 H ILE 21 -4.516 -4.034 4.077
143 HA ILE 21 HA ILE 21 -5.339 -6.004 2.046
144 HB ILE 21 HB ILE 21 -5.858 -3.050 2.208
145 HG12 ILE 21 HG12 ILE 21 -8.045 -5.055 2.514
146 HG13 ILE 21 HG13 ILE 21 -6.965 -4.805 3.881
147 HG21 ILE 21 HG21 ILE 21 -5.850 -4.116 -0.090
148 HG22 ILE 21 HG22 ILE 21 -7.321 -3.260 0.365
149 HG23 ILE 21 HG23 ILE 21 -7.273 -5.021 0.428
150 HD11 ILE 21 HD11 ILE 21 -8.313 -3.141 4.455
151 HD12 ILE 21 HD12 ILE 21 -9.121 -3.152 2.888
152 HD13 ILE 21 HD13 ILE 21 -7.623 -2.246 3.101
153 HA PRO 22 HA PRO 22 -1.770 -5.133 -0.463
154 HB2 PRO 22 HB2 PRO 22 -3.109 -5.019 -2.924
155 HB3 PRO 22 HB3 PRO 22 -2.412 -6.468 -2.193
156 HG2 PRO 22 HG2 PRO 22 -5.232 -5.489 -2.158
157 HG3 PRO 22 HG3 PRO 22 -4.619 -7.151 -2.280
158 HD2 PRO 22 HD2 PRO 22 -5.620 -6.243 0.028
159 HD3 PRO 22 HD3 PRO 22 -4.183 -7.285 0.018
160 H CYS 23 H CYS 23 -1.003 -3.453 -2.050
161 HA CYS 23 HA CYS 23 -2.668 -1.043 -2.121
162 HB2 CYS 23 HB2 CYS 23 -0.766 -1.321 -0.136
163 HB3 CYS 23 HB3 CYS 23 0.085 -0.397 -1.371
164 H GLN 24 H GLN 24 -0.084 -2.935 -3.423
165 HA GLN 24 HA GLN 24 1.192 -1.180 -5.121
166 HB2 GLN 24 HB2 GLN 24 0.499 -3.759 -6.377
167 HB3 GLN 24 HB3 GLN 24 2.069 -3.000 -6.168
168 HG2 GLN 24 HG2 GLN 24 1.929 -3.674 -3.741
169 HG3 GLN 24 HG3 GLN 24 0.526 -4.644 -4.188
170 HE21 GLN 24 HE21 GLN 24 0.815 -6.388 -5.644
171 HE22 GLN 24 HE22 GLN 24 2.360 -7.140 -5.830
172 H LEU 25 H LEU 25 -1.879 -2.769 -5.546
173 HA LEU 25 HA LEU 25 -2.356 -1.854 -8.174
174 HB2 LEU 25 HB2 LEU 25 -3.491 -3.804 -7.267
175 HB3 LEU 25 HB3 LEU 25 -4.279 -2.806 -6.061
176 HG LEU 25 HG LEU 25 -4.760 -1.992 -8.853
177 HD11 LEU 25 HD11 LEU 25 -5.094 -4.121 -9.531
178 HD12 LEU 25 HD12 LEU 25 -6.646 -3.884 -8.729
179 HD13 LEU 25 HD13 LEU 25 -5.340 -4.723 -7.892
180 HD21 LEU 25 HD21 LEU 25 -6.670 -1.168 -7.990
181 HD22 LEU 25 HD22 LEU 25 -5.817 -1.344 -6.457
182 HD23 LEU 25 HD23 LEU 25 -6.953 -2.586 -6.982
183 H ARG 26 H ARG 26 -2.168 -0.098 -5.372
184 HA ARG 26 HA ARG 26 -4.138 1.843 -6.294
185 HB2 ARG 26 HB2 ARG 26 -2.921 1.856 -3.557
186 HB3 ARG 26 HB3 ARG 26 -4.404 2.631 -4.091
187 HG2 ARG 26 HG2 ARG 26 -3.992 -0.342 -3.862
188 HG3 ARG 26 HG3 ARG 26 -4.820 0.670 -2.677
189 HD2 ARG 26 HD2 ARG 26 -5.649 0.424 -5.560
190 HD3 ARG 26 HD3 ARG 26 -6.320 -0.557 -4.262
191 HE ARG 26 HE ARG 26 -6.901 2.211 -4.821
192 HH11 ARG 26 HH11 ARG 26 -6.896 -0.275 -2.371
193 HH12 ARG 26 HH12 ARG 26 -8.099 0.507 -1.400
194 HH21 ARG 26 HH21 ARG 26 -8.482 3.240 -3.546
195 HH22 ARG 26 HH22 ARG 26 -9.000 2.501 -2.066
196 H CYS 27 H CYS 27 -0.925 1.277 -6.272
197 HA CYS 27 HA CYS 27 0.071 3.906 -5.769
198 HB2 CYS 27 HB2 CYS 27 1.429 1.739 -5.650
199 HB3 CYS 27 HB3 CYS 27 1.481 1.791 -7.409
200 H SER 28 H SER 28 1.367 5.057 -7.619
201 HA SER 28 HA SER 28 1.186 6.366 -9.447
202 HB2 SER 28 HB2 SER 28 1.532 5.173 -11.366
203 HB3 SER 28 HB3 SER 28 1.775 3.901 -10.167
204 HG SER 28 HG SER 28 0.211 2.896 -11.128
205 H SER 29 H SER 29 -1.051 6.540 -7.862
206 HA SER 29 HA SER 29 -2.992 7.492 -9.730
207 HB2 SER 29 HB2 SER 29 -3.335 4.867 -8.951
208 HB3 SER 29 HB3 SER 29 -4.334 5.745 -7.794
209 HG SER 29 HG SER 29 -5.343 6.764 -9.605
210 H ASN 30 H ASN 30 -4.967 8.249 -8.325
211 HA ASN 30 HA ASN 30 -4.026 10.176 -6.582
212 HB2 ASN 30 HB2 ASN 30 -6.708 9.225 -7.425
213 HB3 ASN 30 HB3 ASN 30 -6.622 10.184 -5.950
214 HD21 ASN 30 HD21 ASN 30 -6.080 12.335 -6.063
215 HD22 ASN 30 HD22 ASN 30 -6.013 13.207 -7.554
216 H THR 31 H THR 31 -6.189 7.485 -5.907
217 HA THR 31 HA THR 31 -6.774 6.979 -3.577
218 HB THR 31 HB THR 31 -4.549 5.261 -4.650
219 HG1 THR 31 HG1 THR 31 -6.257 5.411 -6.100
220 HG21 THR 31 HG21 THR 31 -4.747 4.131 -2.746
221 HG22 THR 31 HG22 THR 31 -6.309 3.606 -3.374
222 HG23 THR 31 HG23 THR 31 -6.217 4.990 -2.286
223 HA PRO 32 HA PRO 32 -3.483 9.567 -1.480
224 HB2 PRO 32 HB2 PRO 32 -5.836 9.240 0.366
225 HB3 PRO 32 HB3 PRO 32 -4.751 10.626 0.177
226 HG2 PRO 32 HG2 PRO 32 -7.115 10.659 -1.002
227 HG3 PRO 32 HG3 PRO 32 -5.675 11.242 -1.870
228 HD2 PRO 32 HD2 PRO 32 -7.203 8.680 -2.261
229 HD3 PRO 32 HD3 PRO 32 -6.278 9.616 -3.460
230 HA PRO 33 HA PRO 33 -2.442 5.677 0.680
231 HB2 PRO 33 HB2 PRO 33 0.041 5.426 -0.323
232 HB3 PRO 33 HB3 PRO 33 -1.393 4.931 -1.225
233 HG2 PRO 33 HG2 PRO 33 0.393 7.226 -1.658
234 HG3 PRO 33 HG3 PRO 33 -0.711 6.431 -2.789
235 HD2 PRO 33 HD2 PRO 33 -1.119 8.859 -1.297
236 HD3 PRO 33 HD3 PRO 33 -2.206 8.095 -2.471
237 H LEU 34 H LEU 34 -2.525 7.064 2.604
238 HA LEU 34 HA LEU 34 -0.203 8.551 3.330
239 HB2 LEU 34 HB2 LEU 34 -2.136 7.505 5.381
240 HB3 LEU 34 HB3 LEU 34 -1.194 8.978 5.411
241 HG LEU 34 HG LEU 34 -3.061 8.944 3.192
242 HD11 LEU 34 HD11 LEU 34 -4.495 9.261 5.747
243 HD12 LEU 34 HD12 LEU 34 -4.129 7.609 5.250
244 HD13 LEU 34 HD13 LEU 34 -5.064 8.663 4.189
245 HD21 LEU 34 HD21 LEU 34 -2.196 11.016 3.679
246 HD22 LEU 34 HD22 LEU 34 -2.264 10.752 5.421
247 HD23 LEU 34 HD23 LEU 34 -3.744 11.084 4.522
248 H THR 35 H THR 35 -1.394 5.329 4.287
249 HA THR 35 HA THR 35 1.110 4.804 5.637
250 HB THR 35 HB THR 35 -1.222 2.940 5.153
251 HG1 THR 35 HG1 THR 35 -0.670 4.689 7.312
252 HG21 THR 35 HG21 THR 35 0.164 2.478 7.596
253 HG22 THR 35 HG22 THR 35 1.315 2.449 6.260
254 HG23 THR 35 HG23 THR 35 -0.092 1.386 6.235
255 H CYS 36 H CYS 36 0.208 4.905 2.487
256 HA CYS 36 HA CYS 36 1.943 2.630 1.793
257 HB2 CYS 36 HB2 CYS 36 -0.496 3.698 0.409
258 HB3 CYS 36 HB3 CYS 36 0.682 2.701 -0.438
259 H GLN 37 H GLN 37 1.636 5.995 1.680
260 HA GLN 37 HA GLN 37 2.780 6.679 -0.752
261 HB2 GLN 37 HB2 GLN 37 2.372 7.959 1.838
262 HB3 GLN 37 HB3 GLN 37 3.840 8.515 1.046
263 HG2 GLN 37 HG2 GLN 37 2.645 9.279 -0.843
264 HG3 GLN 37 HG3 GLN 37 1.173 8.456 -0.330
265 HE21 GLN 37 HE21 GLN 37 3.457 10.542 1.397
266 HE22 GLN 37 HE22 GLN 37 2.284 11.708 1.894
267 H ARG 38 H ARG 38 4.192 5.201 2.017
268 HA ARG 38 HA ARG 38 6.899 5.882 1.481
269 HB2 ARG 38 HB2 ARG 38 6.879 5.138 3.610
270 HB3 ARG 38 HB3 ARG 38 5.421 4.194 3.360
271 HG2 ARG 38 HG2 ARG 38 7.223 2.751 4.023
272 HG3 ARG 38 HG3 ARG 38 6.781 2.408 2.349
273 HD2 ARG 38 HD2 ARG 38 8.990 2.536 1.990
274 HD3 ARG 38 HD3 ARG 38 8.698 4.270 1.983
275 HE ARG 38 HE ARG 38 9.973 2.720 4.096
276 HH11 ARG 38 HH11 ARG 38 8.655 5.796 3.088
277 HH12 ARG 38 HH12 ARG 38 9.470 6.688 4.328
278 HH21 ARG 38 HH21 ARG 38 11.040 3.897 5.722
279 HH22 ARG 38 HH22 ARG 38 10.821 5.613 5.822
280 H TYR 39 H TYR 39 4.981 2.938 0.892
281 HA TYR 39 HA TYR 39 7.039 1.695 -0.614
282 HB2 TYR 39 HB2 TYR 39 5.299 0.447 0.676
283 HB3 TYR 39 HB3 TYR 39 4.118 0.943 -0.533
284 HD1 TYR 39 HD1 TYR 39 7.229 -0.999 -0.027
285 HD2 TYR 39 HD2 TYR 39 3.930 -0.208 -2.595
286 HE1 TYR 39 HE1 TYR 39 7.875 -2.907 -1.435
287 HE2 TYR 39 HE2 TYR 39 4.566 -2.117 -4.008
288 HH TYR 39 HH TYR 39 6.557 -3.444 -4.522
289 H CYS 40 H CYS 40 4.042 3.377 -1.484
290 HA CYS 40 HA CYS 40 4.133 2.807 -4.222
291 HB2 CYS 40 HB2 CYS 40 2.173 3.847 -3.110
292 HB3 CYS 40 HB3 CYS 40 3.083 5.347 -2.952
293 H ASN 41 H ASN 41 5.788 5.304 -2.363
294 HA ASN 41 HA ASN 41 6.837 6.589 -4.661
295 HB2 ASN 41 HB2 ASN 41 7.489 8.157 -3.193
296 HB3 ASN 41 HB3 ASN 41 6.763 7.176 -1.932
297 HD21 ASN 41 HD21 ASN 41 8.351 5.204 -1.417
298 HD22 ASN 41 HD22 ASN 41 9.954 5.713 -1.023
299 H ALA 42 H ALA 42 7.500 3.710 -3.113
300 HA ALA 42 HA ALA 42 10.211 3.574 -4.183
301 HB1 ALA 42 HB1 ALA 42 9.206 1.235 -2.727
302 HB2 ALA 42 HB2 ALA 42 9.275 2.719 -1.776
303 HB3 ALA 42 HB3 ALA 42 10.733 2.103 -2.556
304 H SER 43 H SER 43 7.562 3.436 -5.579
305 HA SER 43 HA SER 43 8.193 1.118 -7.230
306 HB2 SER 43 HB2 SER 43 6.233 0.650 -5.679
307 HB3 SER 43 HB3 SER 43 5.349 1.888 -6.571
308 HG SER 43 HG SER 43 5.846 0.611 -8.488
309 H VAL 44 H VAL 44 8.340 4.225 -7.223
310 HA VAL 44 HA VAL 44 7.519 4.506 -9.997
311 HB VAL 44 HB VAL 44 6.874 6.610 -7.929
312 HG11 VAL 44 HG11 VAL 44 7.348 7.092 -10.480
313 HG12 VAL 44 HG12 VAL 44 6.049 7.913 -9.615
314 HG13 VAL 44 HG13 VAL 44 5.684 6.534 -10.653
315 HG21 VAL 44 HG21 VAL 44 4.579 5.986 -8.084
316 HG22 VAL 44 HG22 VAL 44 5.497 4.524 -7.725
317 HG23 VAL 44 HG23 VAL 44 4.919 4.822 -9.363
318 H THR 45 H THR 45 9.990 4.054 -9.583
319 HA THR 45 HA THR 45 12.031 4.835 -10.222
320 HB THR 45 HB THR 45 10.768 7.562 -9.985
321 HG1 THR 45 HG1 THR 45 10.920 7.460 -12.269
322 HG21 THR 45 HG21 THR 45 12.811 8.116 -11.514
323 HG22 THR 45 HG22 THR 45 13.553 6.771 -10.647
324 HG23 THR 45 HG23 THR 45 12.957 8.173 -9.757
325 H ASN 46 H ASN 46 10.514 6.602 -7.525
326 HA ASN 46 HA ASN 46 11.330 7.234 -5.488
327 HB2 ASN 46 HB2 ASN 46 11.495 4.542 -5.694
328 HB3 ASN 46 HB3 ASN 46 13.181 4.927 -5.359
329 HD21 ASN 46 HD21 ASN 46 12.463 3.563 -3.446
330 HD22 ASN 46 HD22 ASN 46 11.884 4.429 -2.068
331 H SER 47 H SER 47 13.777 6.852 -4.226
332 HA SER 47 HA SER 47 15.931 7.589 -4.096
333 HB2 SER 47 HB2 SER 47 15.989 6.509 -6.509
334 HB3 SER 47 HB3 SER 47 16.083 8.193 -7.022
335 HG SER 47 HG SER 47 17.821 6.956 -5.149
336 H VAL 48 H VAL 48 15.430 9.407 -2.950
337 HA VAL 48 HA VAL 48 16.176 11.872 -3.810
338 HB VAL 48 HB VAL 48 13.790 12.955 -3.744
339 HG11 VAL 48 HG11 VAL 48 15.697 12.488 -5.702
340 HG12 VAL 48 HG12 VAL 48 14.367 13.644 -5.773
341 HG13 VAL 48 HG13 VAL 48 14.168 12.029 -6.452
342 HG21 VAL 48 HG21 VAL 48 12.808 10.561 -3.600
343 HG22 VAL 48 HG22 VAL 48 13.096 10.520 -5.340
344 HG23 VAL 48 HG23 VAL 48 12.030 11.744 -4.651
345 H LYS 49 H LYS 49 16.918 12.122 -1.839
346 HA LYS 49 HA LYS 49 15.662 13.396 0.131
347 HB2 LYS 49 HB2 LYS 49 14.636 10.806 0.172
348 HB3 LYS 49 HB3 LYS 49 15.820 10.815 1.465
349 HG2 LYS 49 HG2 LYS 49 13.530 11.388 2.200
350 HG3 LYS 49 HG3 LYS 49 14.726 12.637 2.555
351 HD2 LYS 49 HD2 LYS 49 13.696 13.217 -0.003
352 HD3 LYS 49 HD3 LYS 49 12.312 12.822 1.017
353 HE2 LYS 49 HE2 LYS 49 13.553 14.407 2.720
354 HE3 LYS 49 HE3 LYS 49 14.275 15.050 1.245
355 HZ1 LYS 49 HZ1 LYS 49 12.109 15.547 0.391
356 HZ2 LYS 49 HZ2 LYS 49 12.236 16.223 1.936
357 HZ3 LYS 49 HZ3 LYS 49 11.352 14.799 1.706
358 H CY1 50 H CY1 50 16.767 12.484 2.486
359 HA CY1 50 HA CY1 50 19.547 11.828 2.038
360 HB2 CY1 50 HB2 CY1 50 19.138 14.410 1.766
361 HB3 CY1 50 HB3 CY1 50 19.072 14.383 3.525
362 HD2 CY1 50 HD2 CY1 50 21.439 15.815 3.776
363 HD3 CY1 50 HD3 CY1 50 20.917 14.317 4.901
364 HE CY1 50 HE CY1 50 23.318 13.758 4.699
365 HM1 CY1 50 HM1 CY1 50 25.173 14.979 6.414
366 HM2 CY1 50 HM2 CY1 50 25.846 16.118 5.201
367 HM3 CY1 50 HM3 CY1 50 25.514 14.450 4.777
368 HN1 NH2 51 HN1 NH2 51 19.974 10.381 3.581
369 HN2 NH2 51 HN2 NH2 51 19.376 10.418 5.202
Start of MODEL 4
1 H1 LEU 1 H1 LEU 1 2.654 2.285 18.572
2 H2 LEU 1 H2 LEU 1 3.480 3.214 17.390
3 H3 LEU 1 H3 LEU 1 3.867 1.556 17.606
4 HA LEU 1 HA LEU 1 1.290 2.630 16.671
5 HB2 LEU 1 HB2 LEU 1 3.460 1.143 15.187
6 HB3 LEU 1 HB3 LEU 1 1.966 1.758 14.508
7 HG LEU 1 HG LEU 1 3.038 4.044 15.514
8 HD11 LEU 1 HD11 LEU 1 5.393 4.108 14.960
9 HD12 LEU 1 HD12 LEU 1 5.357 2.405 14.504
10 HD13 LEU 1 HD13 LEU 1 5.094 2.874 16.184
11 HD21 LEU 1 HD21 LEU 1 3.968 4.260 13.079
12 HD22 LEU 1 HD22 LEU 1 2.231 4.153 13.366
13 HD23 LEU 1 HD23 LEU 1 3.127 2.728 12.840
14 H GLN 2 H GLN 2 -0.181 0.997 15.964
15 HA GLN 2 HA GLN 2 0.221 -1.570 17.346
16 HB2 GLN 2 HB2 GLN 2 -2.300 -0.069 16.635
17 HB3 GLN 2 HB3 GLN 2 -2.301 -1.727 17.222
18 HG2 GLN 2 HG2 GLN 2 -1.767 -1.127 19.343
19 HG3 GLN 2 HG3 GLN 2 -0.845 0.285 18.832
20 HE21 GLN 2 HE21 GLN 2 -4.094 -0.988 19.260
21 HE22 GLN 2 HE22 GLN 2 -4.864 0.542 19.483
22 H MET 3 H MET 3 0.450 -3.339 16.166
23 HA MET 3 HA MET 3 0.203 -4.863 14.487
24 HB2 MET 3 HB2 MET 3 -2.121 -3.806 14.237
25 HB3 MET 3 HB3 MET 3 -1.422 -2.897 12.904
26 HG2 MET 3 HG2 MET 3 -2.597 -4.864 12.107
27 HG3 MET 3 HG3 MET 3 -0.873 -4.969 11.757
28 HE1 MET 3 HE1 MET 3 -2.509 -8.237 11.985
29 HE2 MET 3 HE2 MET 3 -3.449 -6.746 11.973
30 HE3 MET 3 HE3 MET 3 -3.553 -7.843 13.350
31 H ALA 4 H ALA 4 1.602 -1.884 14.223
32 HA ALA 4 HA ALA 4 2.485 -1.958 11.523
33 HB1 ALA 4 HB1 ALA 4 4.200 -0.530 13.397
34 HB2 ALA 4 HB2 ALA 4 2.491 -0.125 13.554
35 HB3 ALA 4 HB3 ALA 4 3.303 0.064 11.998
36 H GLY 5 H GLY 5 3.004 -4.423 11.927
37 HA2 GLY 5 HA2 GLY 5 5.673 -4.883 11.493
38 HA3 GLY 5 HA3 GLY 5 5.485 -5.009 13.239
39 H GLN 6 H GLN 6 3.156 -5.980 10.758
40 HA GLN 6 HA GLN 6 3.740 -8.646 10.555
41 HB2 GLN 6 HB2 GLN 6 2.484 -7.975 13.093
42 HB3 GLN 6 HB3 GLN 6 1.523 -9.128 12.177
43 HG2 GLN 6 HG2 GLN 6 4.440 -9.617 12.465
44 HG3 GLN 6 HG3 GLN 6 3.385 -9.917 13.845
45 HE21 GLN 6 HE21 GLN 6 2.778 -11.942 13.998
46 HE22 GLN 6 HE22 GLN 6 2.483 -13.026 12.687
47 H CYS 7 H CYS 7 3.098 -7.551 8.581
48 HA CYS 7 HA CYS 7 0.208 -7.865 8.112
49 HB2 CYS 7 HB2 CYS 7 2.012 -5.614 7.418
50 HB3 CYS 7 HB3 CYS 7 0.775 -6.050 6.245
51 H SER 8 H SER 8 -0.426 -8.699 6.120
52 HA SER 8 HA SER 8 1.206 -10.607 4.923
53 HB2 SER 8 HB2 SER 8 -1.216 -9.137 3.867
54 HB3 SER 8 HB3 SER 8 -0.430 -10.439 2.976
55 HG SER 8 HG SER 8 -1.695 -10.572 5.506
56 H GLN 9 H GLN 9 2.185 -10.626 2.810
57 HA GLN 9 HA GLN 9 4.037 -8.682 2.426
58 HB2 GLN 9 HB2 GLN 9 2.956 -10.850 0.752
59 HB3 GLN 9 HB3 GLN 9 3.778 -9.571 -0.131
60 HG2 GLN 9 HG2 GLN 9 5.598 -10.809 0.269
61 HG3 GLN 9 HG3 GLN 9 5.559 -10.010 1.841
62 HE21 GLN 9 HE21 GLN 9 5.756 -12.925 0.311
63 HE22 GLN 9 HE22 GLN 9 5.277 -13.960 1.607
64 H ASN 10 H ASN 10 4.242 -6.800 1.570
65 HA ASN 10 HA ASN 10 3.575 -4.727 0.944
66 HB2 ASN 10 HB2 ASN 10 2.664 -4.666 -1.443
67 HB3 ASN 10 HB3 ASN 10 4.180 -5.542 -1.245
68 HD21 ASN 10 HD21 ASN 10 0.660 -6.096 -1.241
69 HD22 ASN 10 HD22 ASN 10 0.741 -7.628 -2.032
70 H GLU 11 H GLU 11 1.697 -6.065 2.657
71 HA GLU 11 HA GLU 11 -0.793 -4.902 1.632
72 HB2 GLU 11 HB2 GLU 11 -0.273 -7.299 3.164
73 HB3 GLU 11 HB3 GLU 11 -1.495 -6.292 3.927
74 HG2 GLU 11 HG2 GLU 11 -3.013 -7.022 2.496
75 HG3 GLU 11 HG3 GLU 11 -2.066 -6.426 1.143
76 H TYR 12 H TYR 12 -2.067 -3.467 2.762
77 HA TYR 12 HA TYR 12 -0.558 -2.175 4.971
78 HB2 TYR 12 HB2 TYR 12 -1.120 -0.091 4.234
79 HB3 TYR 12 HB3 TYR 12 -1.043 -0.944 2.701
80 HD1 TYR 12 HD1 TYR 12 -3.347 0.415 5.254
81 HD2 TYR 12 HD2 TYR 12 -2.952 -1.112 1.307
82 HE1 TYR 12 HE1 TYR 12 -5.627 1.175 4.739
83 HE2 TYR 12 HE2 TYR 12 -5.235 -0.367 0.782
84 HH TYR 12 HH TYR 12 -7.483 0.274 2.838
85 H PHE 13 H PHE 13 -1.383 -2.126 6.891
86 HA PHE 13 HA PHE 13 -3.926 -3.319 7.458
87 HB2 PHE 13 HB2 PHE 13 -1.823 -3.473 8.879
88 HB3 PHE 13 HB3 PHE 13 -2.168 -1.836 9.410
89 HD1 PHE 13 HD1 PHE 13 -4.161 -4.958 8.936
90 HD2 PHE 13 HD2 PHE 13 -3.071 -1.744 11.502
91 HE1 PHE 13 HE1 PHE 13 -5.666 -5.840 10.671
92 HE2 PHE 13 HE2 PHE 13 -4.576 -2.619 13.242
93 HZ PHE 13 HZ PHE 13 -5.875 -4.669 12.828
94 H ASP 14 H ASP 14 -5.643 -2.127 6.819
95 HA ASP 14 HA ASP 14 -5.812 0.718 7.355
96 HB2 ASP 14 HB2 ASP 14 -6.986 -0.819 5.482
97 HB3 ASP 14 HB3 ASP 14 -8.262 -0.816 6.695
98 H SER 15 H SER 15 -5.865 1.195 9.484
99 HA SER 15 HA SER 15 -6.872 -0.309 11.545
100 HB2 SER 15 HB2 SER 15 -7.106 1.844 12.798
101 HB3 SER 15 HB3 SER 15 -5.550 1.669 11.986
102 HG SER 15 HG SER 15 -7.736 3.027 10.811
103 H LEU 16 H LEU 16 -8.619 1.412 9.132
104 HA LEU 16 HA LEU 16 -11.084 1.505 10.643
105 HB2 LEU 16 HB2 LEU 16 -10.516 3.217 8.942
106 HB3 LEU 16 HB3 LEU 16 -10.607 1.983 7.701
107 HG LEU 16 HG LEU 16 -13.007 2.323 9.406
108 HD11 LEU 16 HD11 LEU 16 -12.967 4.174 7.150
109 HD12 LEU 16 HD12 LEU 16 -11.861 4.613 8.451
110 HD13 LEU 16 HD13 LEU 16 -13.578 4.392 8.790
111 HD21 LEU 16 HD21 LEU 16 -14.037 2.096 7.078
112 HD22 LEU 16 HD22 LEU 16 -13.196 0.692 7.737
113 HD23 LEU 16 HD23 LEU 16 -12.404 1.708 6.531
114 H LEU 17 H LEU 17 -9.507 -0.609 8.378
115 HA LEU 17 HA LEU 17 -11.914 -2.253 8.105
116 HB2 LEU 17 HB2 LEU 17 -9.256 -2.458 6.701
117 HB3 LEU 17 HB3 LEU 17 -10.694 -3.392 6.328
118 HG LEU 17 HG LEU 17 -10.662 -0.391 6.133
119 HD11 LEU 17 HD11 LEU 17 -9.875 -0.427 3.977
120 HD12 LEU 17 HD12 LEU 17 -10.293 -2.123 3.736
121 HD13 LEU 17 HD13 LEU 17 -8.891 -1.690 4.714
122 HD21 LEU 17 HD21 LEU 17 -12.488 -2.599 5.344
123 HD22 LEU 17 HD22 LEU 17 -12.402 -1.177 4.303
124 HD23 LEU 17 HD23 LEU 17 -12.856 -1.003 5.999
125 H HIS 18 H HIS 18 -8.833 -2.178 9.702
126 HA HIS 18 HA HIS 18 -7.817 -3.624 11.142
127 HB2 HIS 18 HB2 HIS 18 -10.661 -4.448 11.222
128 HB3 HIS 18 HB3 HIS 18 -9.490 -5.590 11.864
129 HD1 HIS 18 HD1 HIS 18 -7.568 -3.618 13.247
130 HD2 HIS 18 HD2 HIS 18 -11.709 -3.437 13.528
131 HE1 HIS 18 HE1 HIS 18 -8.043 -2.373 15.379
132 HE2 HIS 18 HE2 HIS 18 -10.555 -2.360 15.576
133 H ALA 19 H ALA 19 -7.246 -4.017 8.555
134 HA ALA 19 HA ALA 19 -6.464 -6.752 8.466
135 HB1 ALA 19 HB1 ALA 19 -8.950 -6.167 7.329
136 HB2 ALA 19 HB2 ALA 19 -7.993 -7.634 7.116
137 HB3 ALA 19 HB3 ALA 19 -7.821 -6.294 5.975
138 H CYS 20 H CYS 20 -4.567 -6.809 7.509
139 HA CYS 20 HA CYS 20 -3.511 -4.536 6.182
140 HB2 CYS 20 HB2 CYS 20 -2.358 -7.331 6.103
141 HB3 CYS 20 HB3 CYS 20 -1.499 -5.817 5.850
142 H ILE 21 H ILE 21 -4.315 -3.951 4.330
143 HA ILE 21 HA ILE 21 -4.978 -5.960 2.282
144 HB ILE 21 HB ILE 21 -5.987 -3.169 2.715
145 HG12 ILE 21 HG12 ILE 21 -7.569 -5.731 2.902
146 HG13 ILE 21 HG13 ILE 21 -6.717 -5.061 4.287
147 HG21 ILE 21 HG21 ILE 21 -5.874 -3.994 0.293
148 HG22 ILE 21 HG22 ILE 21 -7.427 -3.396 0.870
149 HG23 ILE 21 HG23 ILE 21 -7.143 -5.130 0.750
150 HD11 ILE 21 HD11 ILE 21 -8.492 -3.826 4.716
151 HD12 ILE 21 HD12 ILE 21 -9.278 -4.384 3.237
152 HD13 ILE 21 HD13 ILE 21 -8.231 -2.966 3.196
153 HA PRO 22 HA PRO 22 -1.809 -4.594 -0.480
154 HB2 PRO 22 HB2 PRO 22 -3.473 -4.411 -2.763
155 HB3 PRO 22 HB3 PRO 22 -2.491 -5.795 -2.280
156 HG2 PRO 22 HG2 PRO 22 -5.385 -5.264 -1.823
157 HG3 PRO 22 HG3 PRO 22 -4.554 -6.804 -2.119
158 HD2 PRO 22 HD2 PRO 22 -5.394 -6.172 0.338
159 HD3 PRO 22 HD3 PRO 22 -3.827 -6.974 0.104
160 H CYS 23 H CYS 23 -1.288 -2.841 -2.000
161 HA CYS 23 HA CYS 23 -2.999 -0.464 -1.789
162 HB2 CYS 23 HB2 CYS 23 -0.729 -0.830 -0.146
163 HB3 CYS 23 HB3 CYS 23 -0.244 0.316 -1.391
164 H GLN 24 H GLN 24 -0.618 -2.311 -3.440
165 HA GLN 24 HA GLN 24 0.583 -0.645 -5.202
166 HB2 GLN 24 HB2 GLN 24 -0.570 -3.090 -6.414
167 HB3 GLN 24 HB3 GLN 24 1.067 -2.461 -6.502
168 HG2 GLN 24 HG2 GLN 24 1.281 -3.149 -4.058
169 HG3 GLN 24 HG3 GLN 24 -0.205 -4.064 -4.315
170 HE21 GLN 24 HE21 GLN 24 2.651 -4.832 -3.776
171 HE22 GLN 24 HE22 GLN 24 3.025 -5.990 -5.002
172 H LEU 25 H LEU 25 -2.490 -2.212 -5.879
173 HA LEU 25 HA LEU 25 -3.043 -0.861 -8.252
174 HB2 LEU 25 HB2 LEU 25 -5.461 -1.487 -7.708
175 HB3 LEU 25 HB3 LEU 25 -4.294 -2.777 -7.917
176 HG LEU 25 HG LEU 25 -4.301 -2.147 -5.162
177 HD11 LEU 25 HD11 LEU 25 -6.437 -1.935 -4.464
178 HD12 LEU 25 HD12 LEU 25 -7.086 -2.877 -5.807
179 HD13 LEU 25 HD13 LEU 25 -6.638 -1.189 -6.050
180 HD21 LEU 25 HD21 LEU 25 -4.468 -4.383 -4.967
181 HD22 LEU 25 HD22 LEU 25 -4.211 -4.362 -6.712
182 HD23 LEU 25 HD23 LEU 25 -5.845 -4.481 -6.063
183 H ARG 26 H ARG 26 -3.149 0.333 -5.074
184 HA ARG 26 HA ARG 26 -4.824 2.583 -5.930
185 HB2 ARG 26 HB2 ARG 26 -4.343 1.797 -3.080
186 HB3 ARG 26 HB3 ARG 26 -5.592 2.857 -3.709
187 HG2 ARG 26 HG2 ARG 26 -5.713 0.164 -4.810
188 HG3 ARG 26 HG3 ARG 26 -5.916 0.222 -3.059
189 HD2 ARG 26 HD2 ARG 26 -8.081 0.469 -3.826
190 HD3 ARG 26 HD3 ARG 26 -7.577 2.132 -3.548
191 HE ARG 26 HE ARG 26 -7.110 1.205 -6.238
192 HH11 ARG 26 HH11 ARG 26 -9.418 2.686 -4.078
193 HH12 ARG 26 HH12 ARG 26 -10.317 3.438 -5.353
194 HH21 ARG 26 HH21 ARG 26 -8.292 2.193 -7.916
195 HH22 ARG 26 HH22 ARG 26 -9.679 3.157 -7.531
196 H CYS 27 H CYS 27 -1.764 1.817 -5.507
197 HA CYS 27 HA CYS 27 -0.375 3.382 -3.877
198 HB2 CYS 27 HB2 CYS 27 0.134 2.617 -6.698
199 HB3 CYS 27 HB3 CYS 27 1.180 3.840 -5.985
200 H SER 28 H SER 28 -0.004 4.990 -6.920
201 HA SER 28 HA SER 28 -0.577 7.448 -5.612
202 HB2 SER 28 HB2 SER 28 1.491 6.657 -7.245
203 HB3 SER 28 HB3 SER 28 0.511 7.685 -8.292
204 HG SER 28 HG SER 28 1.984 8.332 -6.035
205 H SER 29 H SER 29 -2.787 5.784 -6.639
206 HA SER 29 HA SER 29 -4.030 7.907 -8.183
207 HB2 SER 29 HB2 SER 29 -4.116 5.063 -9.176
208 HB3 SER 29 HB3 SER 29 -4.878 6.475 -9.910
209 HG SER 29 HG SER 29 -2.876 7.278 -10.424
210 H ASN 30 H ASN 30 -6.032 8.233 -7.789
211 HA ASN 30 HA ASN 30 -8.000 8.266 -6.646
212 HB2 ASN 30 HB2 ASN 30 -8.029 5.331 -7.361
213 HB3 ASN 30 HB3 ASN 30 -9.423 6.366 -7.067
214 HD21 ASN 30 HD21 ASN 30 -10.144 7.714 -8.657
215 HD22 ASN 30 HD22 ASN 30 -9.538 7.683 -10.275
216 H THR 31 H THR 31 -5.601 7.598 -5.043
217 HA THR 31 HA THR 31 -6.883 7.038 -2.630
218 HB THR 31 HB THR 31 -5.463 4.752 -3.927
219 HG1 THR 31 HG1 THR 31 -8.022 5.166 -2.827
220 HG21 THR 31 HG21 THR 31 -5.978 3.597 -1.662
221 HG22 THR 31 HG22 THR 31 -5.871 5.235 -1.017
222 HG23 THR 31 HG23 THR 31 -4.492 4.526 -1.857
223 HA PRO 32 HA PRO 32 -2.742 9.201 -2.315
224 HB2 PRO 32 HB2 PRO 32 -3.502 10.271 0.167
225 HB3 PRO 32 HB3 PRO 32 -3.539 11.113 -1.384
226 HG2 PRO 32 HG2 PRO 32 -5.733 9.756 0.103
227 HG3 PRO 32 HG3 PRO 32 -5.788 11.231 -0.889
228 HD2 PRO 32 HD2 PRO 32 -6.751 8.898 -1.852
229 HD3 PRO 32 HD3 PRO 32 -5.858 10.003 -2.921
230 HA PRO 33 HA PRO 33 -1.744 5.710 0.407
231 HB2 PRO 33 HB2 PRO 33 0.661 5.174 -0.594
232 HB3 PRO 33 HB3 PRO 33 -0.806 4.789 -1.504
233 HG2 PRO 33 HG2 PRO 33 1.061 7.108 -1.808
234 HG3 PRO 33 HG3 PRO 33 0.311 6.111 -3.064
235 HD2 PRO 33 HD2 PRO 33 -0.624 8.580 -2.262
236 HD3 PRO 33 HD3 PRO 33 -1.628 7.338 -3.029
237 H LEU 34 H LEU 34 -1.745 7.449 2.089
238 HA LEU 34 HA LEU 34 0.727 8.724 2.682
239 HB2 LEU 34 HB2 LEU 34 -1.453 8.212 4.702
240 HB3 LEU 34 HB3 LEU 34 -0.256 9.489 4.708
241 HG LEU 34 HG LEU 34 -2.614 9.235 2.846
242 HD11 LEU 34 HD11 LEU 34 -3.656 10.794 4.091
243 HD12 LEU 34 HD12 LEU 34 -2.157 11.637 4.485
244 HD13 LEU 34 HD13 LEU 34 -2.605 10.176 5.365
245 HD21 LEU 34 HD21 LEU 34 -1.322 10.329 1.379
246 HD22 LEU 34 HD22 LEU 34 -0.109 10.727 2.595
247 HD23 LEU 34 HD23 LEU 34 -1.558 11.719 2.437
248 H THR 35 H THR 35 -0.849 5.803 4.034
249 HA THR 35 HA THR 35 1.550 5.220 5.542
250 HB THR 35 HB THR 35 -0.652 4.784 6.554
251 HG1 THR 35 HG1 THR 35 1.237 3.407 6.969
252 HG21 THR 35 HG21 THR 35 -2.307 3.651 5.609
253 HG22 THR 35 HG22 THR 35 -1.230 2.359 5.077
254 HG23 THR 35 HG23 THR 35 -1.411 3.815 4.099
255 H CYS 36 H CYS 36 0.747 4.967 2.385
256 HA CYS 36 HA CYS 36 2.205 2.431 2.075
257 HB2 CYS 36 HB2 CYS 36 0.068 3.617 0.310
258 HB3 CYS 36 HB3 CYS 36 1.043 2.224 -0.138
259 H GLN 37 H GLN 37 2.340 5.757 1.551
260 HA GLN 37 HA GLN 37 3.563 6.102 -0.871
261 HB2 GLN 37 HB2 GLN 37 3.024 7.728 1.216
262 HB3 GLN 37 HB3 GLN 37 4.766 7.605 1.375
263 HG2 GLN 37 HG2 GLN 37 3.989 9.555 0.063
264 HG3 GLN 37 HG3 GLN 37 5.108 8.501 -0.800
265 HE21 GLN 37 HE21 GLN 37 1.954 9.839 -0.687
266 HE22 GLN 37 HE22 GLN 37 1.370 9.163 -2.167
267 H ARG 38 H ARG 38 5.007 4.980 2.107
268 HA ARG 38 HA ARG 38 7.692 5.094 1.348
269 HB2 ARG 38 HB2 ARG 38 6.132 3.719 3.422
270 HB3 ARG 38 HB3 ARG 38 7.606 2.878 2.964
271 HG2 ARG 38 HG2 ARG 38 7.744 5.793 3.553
272 HG3 ARG 38 HG3 ARG 38 7.600 4.652 4.891
273 HD2 ARG 38 HD2 ARG 38 9.863 4.759 4.716
274 HD3 ARG 38 HD3 ARG 38 9.542 3.426 3.617
275 HE ARG 38 HE ARG 38 9.587 5.216 1.815
276 HH11 ARG 38 HH11 ARG 38 11.471 5.467 4.752
277 HH12 ARG 38 HH12 ARG 38 12.675 6.479 4.032
278 HH21 ARG 38 HH21 ARG 38 11.175 6.541 0.880
279 HH22 ARG 38 HH22 ARG 38 12.509 7.088 1.839
280 H TYR 39 H TYR 39 5.476 2.312 1.192
281 HA TYR 39 HA TYR 39 7.311 0.715 -0.263
282 HB2 TYR 39 HB2 TYR 39 5.643 -0.303 1.195
283 HB3 TYR 39 HB3 TYR 39 4.347 0.367 0.210
284 HD1 TYR 39 HD1 TYR 39 4.171 -0.415 -2.216
285 HD2 TYR 39 HD2 TYR 39 6.572 -2.392 0.687
286 HE1 TYR 39 HE1 TYR 39 4.214 -2.425 -3.630
287 HE2 TYR 39 HE2 TYR 39 6.618 -4.409 -0.717
288 HH TYR 39 HH TYR 39 6.085 -4.551 -3.752
289 H CYS 40 H CYS 40 4.466 2.605 -1.165
290 HA CYS 40 HA CYS 40 4.374 1.727 -3.833
291 HB2 CYS 40 HB2 CYS 40 3.290 4.150 -2.429
292 HB3 CYS 40 HB3 CYS 40 3.170 4.013 -4.181
293 H ASN 41 H ASN 41 6.292 4.224 -2.285
294 HA ASN 41 HA ASN 41 7.247 5.243 -4.773
295 HB2 ASN 41 HB2 ASN 41 8.054 6.941 -3.544
296 HB3 ASN 41 HB3 ASN 41 7.299 6.182 -2.155
297 HD21 ASN 41 HD21 ASN 41 8.764 4.206 -1.388
298 HD22 ASN 41 HD22 ASN 41 10.408 4.650 -1.097
299 H ALA 42 H ALA 42 7.874 2.545 -2.906
300 HA ALA 42 HA ALA 42 10.477 2.133 -4.208
301 HB1 ALA 42 HB1 ALA 42 9.734 0.314 -2.019
302 HB2 ALA 42 HB2 ALA 42 9.982 1.997 -1.551
303 HB3 ALA 42 HB3 ALA 42 11.271 1.106 -2.362
304 H SER 43 H SER 43 7.787 1.728 -5.295
305 HA SER 43 HA SER 43 8.082 -1.084 -6.036
306 HB2 SER 43 HB2 SER 43 5.977 -0.132 -4.524
307 HB3 SER 43 HB3 SER 43 5.321 -0.124 -6.161
308 HG SER 43 HG SER 43 6.175 -2.353 -6.267
309 H VAL 44 H VAL 44 6.969 2.138 -6.918
310 HA VAL 44 HA VAL 44 6.866 3.200 -8.936
311 HB VAL 44 HB VAL 44 8.180 0.772 -10.153
312 HG11 VAL 44 HG11 VAL 44 8.730 2.107 -11.956
313 HG12 VAL 44 HG12 VAL 44 8.556 3.602 -11.036
314 HG13 VAL 44 HG13 VAL 44 7.124 2.703 -11.537
315 HG21 VAL 44 HG21 VAL 44 9.621 3.186 -9.082
316 HG22 VAL 44 HG22 VAL 44 10.307 1.659 -9.638
317 HG23 VAL 44 HG23 VAL 44 9.387 1.717 -8.135
318 H THR 45 H THR 45 4.569 2.277 -8.252
319 HA THR 45 HA THR 45 2.503 1.764 -9.013
320 HB THR 45 HB THR 45 3.929 1.773 -11.674
321 HG1 THR 45 HG1 THR 45 3.599 3.761 -10.521
322 HG21 THR 45 HG21 THR 45 0.968 1.544 -11.200
323 HG22 THR 45 HG22 THR 45 2.003 0.320 -11.935
324 HG23 THR 45 HG23 THR 45 1.745 1.863 -12.750
325 H ASN 46 H ASN 46 4.927 -0.376 -10.577
326 HA ASN 46 HA ASN 46 4.946 -2.630 -10.903
327 HB2 ASN 46 HB2 ASN 46 4.807 -2.171 -8.250
328 HB3 ASN 46 HB3 ASN 46 3.345 -3.131 -8.458
329 HD21 ASN 46 HD21 ASN 46 6.584 -3.235 -9.905
330 HD22 ASN 46 HD22 ASN 46 6.885 -4.893 -9.526
331 H SER 47 H SER 47 3.364 -4.708 -10.548
332 HA SER 47 HA SER 47 1.490 -5.806 -11.225
333 HB2 SER 47 HB2 SER 47 0.492 -3.411 -10.087
334 HB3 SER 47 HB3 SER 47 -0.399 -3.672 -11.586
335 HG SER 47 HG SER 47 -0.741 -5.864 -10.796
336 H VAL 48 H VAL 48 0.999 -6.537 -13.191
337 HA VAL 48 HA VAL 48 1.048 -6.760 -15.416
338 HB VAL 48 HB VAL 48 -0.057 -4.993 -16.760
339 HG11 VAL 48 HG11 VAL 48 -2.082 -5.883 -16.283
340 HG12 VAL 48 HG12 VAL 48 -1.935 -5.567 -14.554
341 HG13 VAL 48 HG13 VAL 48 -1.107 -6.950 -15.272
342 HG21 VAL 48 HG21 VAL 48 -1.258 -3.204 -15.637
343 HG22 VAL 48 HG22 VAL 48 0.471 -3.059 -15.333
344 HG23 VAL 48 HG23 VAL 48 -0.591 -3.705 -14.084
345 H LYS 49 H LYS 49 3.074 -6.881 -15.838
346 HA LYS 49 HA LYS 49 5.133 -6.395 -16.698
347 HB2 LYS 49 HB2 LYS 49 3.247 -5.280 -18.370
348 HB3 LYS 49 HB3 LYS 49 4.343 -3.937 -18.075
349 HG2 LYS 49 HG2 LYS 49 6.223 -5.514 -18.699
350 HG3 LYS 49 HG3 LYS 49 4.971 -6.615 -19.276
351 HD2 LYS 49 HD2 LYS 49 4.192 -4.339 -20.487
352 HD3 LYS 49 HD3 LYS 49 5.933 -4.066 -20.413
353 HE2 LYS 49 HE2 LYS 49 6.333 -5.572 -22.010
354 HE3 LYS 49 HE3 LYS 49 5.276 -6.764 -21.257
355 HZ1 LYS 49 HZ1 LYS 49 4.078 -4.500 -22.693
356 HZ2 LYS 49 HZ2 LYS 49 3.477 -6.063 -22.459
357 HZ3 LYS 49 HZ3 LYS 49 4.710 -5.791 -23.584
358 H CY1 50 HN CY1 50 6.635 -4.230 -17.202
359 HA CY1 50 HA CY1 50 6.905 -2.775 -14.638
360 HB2 CY1 50 HB2 CY1 50 8.950 -1.777 -15.891
361 HB3 CY1 50 HB3 CY1 50 8.573 -2.886 -17.199
362 HD2 CY1 50 HD2 CY1 50 10.179 -4.025 -12.946
363 HD3 CY1 50 HD3 CY1 50 8.534 -3.341 -13.113
364 HE CY1 50 HE CY1 50 10.470 -1.686 -14.454
365 HM1 CY1 50 HM1 CY1 50 11.724 0.038 -13.160
366 HM2 CY1 50 HM2 CY1 50 10.800 0.643 -11.773
367 HM3 CY1 50 HM3 CY1 50 10.093 0.697 -13.402
368 HN1 NH2 51 HN1 NH2 51 4.745 -2.030 -16.899
369 HN2 NH2 51 HN2 NH2 51 5.021 -0.307 -17.002
Start of MODEL 5
1 H1 LEU 1 H1 LEU 1 -9.088 1.348 14.046
2 H2 LEU 1 H2 LEU 1 -8.222 -0.134 14.069
3 H3 LEU 1 H3 LEU 1 -7.388 1.352 14.269
4 HA LEU 1 HA LEU 1 -8.728 1.723 16.287
5 HB2 LEU 1 HB2 LEU 1 -10.220 -0.303 15.300
6 HB3 LEU 1 HB3 LEU 1 -9.196 -1.198 16.406
7 HG LEU 1 HG LEU 1 -11.321 -0.561 17.445
8 HD11 LEU 1 HD11 LEU 1 -10.414 0.410 19.479
9 HD12 LEU 1 HD12 LEU 1 -8.958 0.901 18.614
10 HD13 LEU 1 HD13 LEU 1 -9.320 -0.811 18.830
11 HD21 LEU 1 HD21 LEU 1 -10.421 2.301 17.287
12 HD22 LEU 1 HD22 LEU 1 -11.994 1.666 17.773
13 HD23 LEU 1 HD23 LEU 1 -11.493 1.585 16.084
14 H GLN 2 H GLN 2 -6.970 -1.196 15.264
15 HA GLN 2 HA GLN 2 -4.771 -0.509 17.008
16 HB2 GLN 2 HB2 GLN 2 -4.771 -2.687 18.178
17 HB3 GLN 2 HB3 GLN 2 -6.178 -1.710 18.574
18 HG2 GLN 2 HG2 GLN 2 -7.592 -3.040 17.214
19 HG3 GLN 2 HG3 GLN 2 -6.219 -3.879 16.496
20 HE21 GLN 2 HE21 GLN 2 -7.912 -3.342 19.544
21 HE22 GLN 2 HE22 GLN 2 -7.532 -4.879 20.234
22 H MET 3 H MET 3 -2.892 -1.150 16.187
23 HA MET 3 HA MET 3 -2.022 -3.365 15.014
24 HB2 MET 3 HB2 MET 3 -3.989 -2.337 13.225
25 HB3 MET 3 HB3 MET 3 -2.423 -2.167 12.450
26 HG2 MET 3 HG2 MET 3 -3.608 -4.288 11.946
27 HG3 MET 3 HG3 MET 3 -1.985 -4.482 12.601
28 HE1 MET 3 HE1 MET 3 -1.476 -5.877 14.857
29 HE2 MET 3 HE2 MET 3 -1.943 -6.725 13.383
30 HE3 MET 3 HE3 MET 3 -2.612 -7.223 14.937
31 H ALA 4 H ALA 4 -2.118 0.080 14.048
32 HA ALA 4 HA ALA 4 -0.033 0.882 12.884
33 HB1 ALA 4 HB1 ALA 4 -0.992 1.699 15.543
34 HB2 ALA 4 HB2 ALA 4 -0.845 2.628 14.052
35 HB3 ALA 4 HB3 ALA 4 0.579 2.332 15.050
36 H GLY 5 H GLY 5 1.435 -0.914 12.617
37 HA2 GLY 5 HA2 GLY 5 3.873 -1.065 13.058
38 HA3 GLY 5 HA3 GLY 5 3.475 -1.040 14.773
39 H GLN 6 H GLN 6 1.904 -2.872 12.173
40 HA GLN 6 HA GLN 6 3.155 -5.290 12.517
41 HB2 GLN 6 HB2 GLN 6 1.628 -4.715 14.777
42 HB3 GLN 6 HB3 GLN 6 0.623 -5.819 13.850
43 HG2 GLN 6 HG2 GLN 6 1.848 -7.213 15.237
44 HG3 GLN 6 HG3 GLN 6 2.710 -7.291 13.701
45 HE21 GLN 6 HE21 GLN 6 4.819 -6.970 13.750
46 HE22 GLN 6 HE22 GLN 6 5.703 -6.231 15.037
47 H CYS 7 H CYS 7 2.710 -4.631 10.306
48 HA CYS 7 HA CYS 7 0.187 -5.822 9.365
49 HB2 CYS 7 HB2 CYS 7 1.429 -3.207 8.623
50 HB3 CYS 7 HB3 CYS 7 0.510 -4.092 7.410
51 H SER 8 H SER 8 0.299 -6.995 7.431
52 HA SER 8 HA SER 8 2.630 -8.383 6.875
53 HB2 SER 8 HB2 SER 8 0.275 -7.783 5.066
54 HB3 SER 8 HB3 SER 8 1.546 -8.940 4.673
55 HG SER 8 HG SER 8 -0.007 -9.078 7.038
56 H GLN 9 H GLN 9 4.182 -8.205 5.190
57 HA GLN 9 HA GLN 9 5.248 -5.713 4.845
58 HB2 GLN 9 HB2 GLN 9 5.606 -8.287 3.368
59 HB3 GLN 9 HB3 GLN 9 6.390 -6.835 2.763
60 HG2 GLN 9 HG2 GLN 9 8.029 -7.756 4.080
61 HG3 GLN 9 HG3 GLN 9 7.277 -6.604 5.183
62 HE21 GLN 9 HE21 GLN 9 8.770 -9.184 5.563
63 HE22 GLN 9 HE22 GLN 9 7.751 -10.125 6.592
64 H ASN 10 H ASN 10 4.835 -4.024 3.722
65 HA ASN 10 HA ASN 10 3.962 -2.607 2.206
66 HB2 ASN 10 HB2 ASN 10 4.832 -4.805 0.698
67 HB3 ASN 10 HB3 ASN 10 3.222 -4.428 0.090
68 HD21 ASN 10 HD21 ASN 10 5.734 -2.330 1.410
69 HD22 ASN 10 HD22 ASN 10 5.893 -1.337 0.010
70 H GLU 11 H GLU 11 2.275 -4.010 4.120
71 HA GLU 11 HA GLU 11 -0.246 -3.827 2.628
72 HB2 GLU 11 HB2 GLU 11 0.627 -5.738 4.626
73 HB3 GLU 11 HB3 GLU 11 -0.942 -5.041 4.995
74 HG2 GLU 11 HG2 GLU 11 -1.686 -6.716 3.706
75 HG3 GLU 11 HG3 GLU 11 -1.295 -5.605 2.394
76 H TYR 12 H TYR 12 -1.993 -2.659 3.325
77 HA TYR 12 HA TYR 12 -1.286 -0.796 5.528
78 HB2 TYR 12 HB2 TYR 12 -2.166 1.001 4.424
79 HB3 TYR 12 HB3 TYR 12 -1.535 0.073 3.074
80 HD1 TYR 12 HD1 TYR 12 -4.544 1.270 4.762
81 HD2 TYR 12 HD2 TYR 12 -3.057 -0.994 1.484
82 HE1 TYR 12 HE1 TYR 12 -6.757 1.367 3.698
83 HE2 TYR 12 HE2 TYR 12 -5.268 -0.914 0.417
84 HH TYR 12 HH TYR 12 -7.956 -0.384 1.785
85 H PHE 13 H PHE 13 -2.477 -0.804 7.245
86 HA PHE 13 HA PHE 13 -4.777 -2.512 7.455
87 HB2 PHE 13 HB2 PHE 13 -3.157 -2.272 9.295
88 HB3 PHE 13 HB3 PHE 13 -3.605 -0.583 9.472
89 HD1 PHE 13 HD1 PHE 13 -5.151 -3.974 9.450
90 HD2 PHE 13 HD2 PHE 13 -5.176 -0.033 11.053
91 HE1 PHE 13 HE1 PHE 13 -6.930 -4.628 11.018
92 HE2 PHE 13 HE2 PHE 13 -6.957 -0.679 12.624
93 HZ PHE 13 HZ PHE 13 -7.835 -2.980 12.607
94 H ASP 14 H ASP 14 -6.332 -1.614 6.096
95 HA ASP 14 HA ASP 14 -7.182 1.093 6.230
96 HB2 ASP 14 HB2 ASP 14 -7.706 -0.848 4.490
97 HB3 ASP 14 HB3 ASP 14 -9.125 -1.051 5.512
98 H SER 15 H SER 15 -7.768 1.928 8.155
99 HA SER 15 HA SER 15 -8.853 0.549 10.286
100 HB2 SER 15 HB2 SER 15 -8.057 2.674 10.860
101 HB3 SER 15 HB3 SER 15 -8.939 3.475 9.560
102 HG SER 15 HG SER 15 -9.732 2.879 12.100
103 H LEU 16 H LEU 16 -10.368 1.246 7.337
104 HA LEU 16 HA LEU 16 -13.049 1.164 8.471
105 HB2 LEU 16 HB2 LEU 16 -11.863 2.089 6.002
106 HB3 LEU 16 HB3 LEU 16 -13.206 1.011 5.674
107 HG LEU 16 HG LEU 16 -14.470 2.524 7.406
108 HD11 LEU 16 HD11 LEU 16 -13.522 4.943 6.791
109 HD12 LEU 16 HD12 LEU 16 -12.006 4.041 6.797
110 HD13 LEU 16 HD13 LEU 16 -13.027 4.058 8.235
111 HD21 LEU 16 HD21 LEU 16 -14.752 4.196 5.346
112 HD22 LEU 16 HD22 LEU 16 -15.448 2.576 5.362
113 HD23 LEU 16 HD23 LEU 16 -13.928 2.874 4.518
114 H LEU 17 H LEU 17 -10.697 -0.854 6.940
115 HA LEU 17 HA LEU 17 -12.637 -3.014 6.560
116 HB2 LEU 17 HB2 LEU 17 -9.757 -2.816 5.688
117 HB3 LEU 17 HB3 LEU 17 -10.885 -4.088 5.249
118 HG LEU 17 HG LEU 17 -11.386 -1.212 4.529
119 HD11 LEU 17 HD11 LEU 17 -10.200 -3.151 2.594
120 HD12 LEU 17 HD12 LEU 17 -9.151 -2.242 3.682
121 HD13 LEU 17 HD13 LEU 17 -10.209 -1.388 2.557
122 HD21 LEU 17 HD21 LEU 17 -13.053 -3.315 4.440
123 HD22 LEU 17 HD22 LEU 17 -12.286 -3.473 2.860
124 HD23 LEU 17 HD23 LEU 17 -13.114 -1.977 3.293
125 H HIS 18 H HIS 18 -9.987 -2.015 8.579
126 HA HIS 18 HA HIS 18 -9.021 -2.960 10.416
127 HB2 HIS 18 HB2 HIS 18 -11.638 -3.592 10.620
128 HB3 HIS 18 HB3 HIS 18 -10.934 -5.202 10.557
129 HD1 HIS 18 HD1 HIS 18 -10.634 -2.007 12.583
130 HD2 HIS 18 HD2 HIS 18 -9.940 -6.089 12.933
131 HE1 HIS 18 HE1 HIS 18 -10.000 -2.378 14.988
132 HE2 HIS 18 HE2 HIS 18 -9.665 -4.867 15.195
133 H ALA 19 H ALA 19 -7.939 -3.651 8.046
134 HA ALA 19 HA ALA 19 -6.653 -6.127 8.633
135 HB1 ALA 19 HB1 ALA 19 -7.582 -6.357 5.914
136 HB2 ALA 19 HB2 ALA 19 -8.940 -6.292 7.045
137 HB3 ALA 19 HB3 ALA 19 -7.689 -7.522 7.240
138 H CYS 20 H CYS 20 -4.623 -5.907 8.022
139 HA CYS 20 HA CYS 20 -3.780 -3.686 6.487
140 HB2 CYS 20 HB2 CYS 20 -2.109 -6.142 7.047
141 HB3 CYS 20 HB3 CYS 20 -1.541 -4.510 6.715
142 H ILE 21 H ILE 21 -4.346 -3.554 4.472
143 HA ILE 21 HA ILE 21 -4.221 -5.900 2.707
144 HB ILE 21 HB ILE 21 -5.767 -3.332 2.536
145 HG12 ILE 21 HG12 ILE 21 -6.858 -6.136 2.791
146 HG13 ILE 21 HG13 ILE 21 -6.461 -5.152 4.194
147 HG21 ILE 21 HG21 ILE 21 -6.155 -5.661 0.675
148 HG22 ILE 21 HG22 ILE 21 -5.021 -4.361 0.305
149 HG23 ILE 21 HG23 ILE 21 -6.734 -4.005 0.509
150 HD11 ILE 21 HD11 ILE 21 -8.831 -5.172 2.640
151 HD12 ILE 21 HD12 ILE 21 -8.080 -3.584 2.496
152 HD13 ILE 21 HD13 ILE 21 -8.464 -4.239 4.090
153 HA PRO 22 HA PRO 22 -0.889 -4.125 0.415
154 HB2 PRO 22 HB2 PRO 22 -1.665 -4.904 -2.132
155 HB3 PRO 22 HB3 PRO 22 -0.742 -5.899 -1.002
156 HG2 PRO 22 HG2 PRO 22 -3.676 -5.901 -1.575
157 HG3 PRO 22 HG3 PRO 22 -2.587 -7.273 -1.284
158 HD2 PRO 22 HD2 PRO 22 -4.234 -6.399 0.642
159 HD3 PRO 22 HD3 PRO 22 -2.589 -6.943 1.030
160 H CYS 23 H CYS 23 -0.440 -2.229 -0.568
161 HA CYS 23 HA CYS 23 -2.695 -0.491 -1.206
162 HB2 CYS 23 HB2 CYS 23 0.087 0.513 -1.448
163 HB3 CYS 23 HB3 CYS 23 -1.332 1.285 -0.753
164 H GLN 24 H GLN 24 -0.216 -2.271 -2.820
165 HA GLN 24 HA GLN 24 0.378 -0.998 -5.103
166 HB2 GLN 24 HB2 GLN 24 -0.595 -3.748 -5.585
167 HB3 GLN 24 HB3 GLN 24 0.932 -3.004 -6.027
168 HG2 GLN 24 HG2 GLN 24 1.575 -3.155 -3.596
169 HG3 GLN 24 HG3 GLN 24 0.139 -4.152 -3.371
170 HE21 GLN 24 HE21 GLN 24 -0.021 -6.026 -4.922
171 HE22 GLN 24 HE22 GLN 24 1.434 -6.907 -5.230
172 H LEU 25 H LEU 25 -2.611 -2.790 -4.656
173 HA LEU 25 HA LEU 25 -3.758 -2.392 -7.134
174 HB2 LEU 25 HB2 LEU 25 -5.978 -2.514 -5.832
175 HB3 LEU 25 HB3 LEU 25 -4.895 -3.893 -5.803
176 HG LEU 25 HG LEU 25 -4.186 -2.280 -3.593
177 HD11 LEU 25 HD11 LEU 25 -6.976 -2.932 -3.053
178 HD12 LEU 25 HD12 LEU 25 -6.771 -1.633 -4.228
179 HD13 LEU 25 HD13 LEU 25 -6.040 -1.499 -2.629
180 HD21 LEU 25 HD21 LEU 25 -4.502 -4.916 -4.147
181 HD22 LEU 25 HD22 LEU 25 -5.891 -4.620 -3.102
182 HD23 LEU 25 HD23 LEU 25 -4.264 -4.258 -2.528
183 H ARG 26 H ARG 26 -3.423 -0.099 -4.535
184 HA ARG 26 HA ARG 26 -4.913 1.842 -6.145
185 HB2 ARG 26 HB2 ARG 26 -4.678 1.920 -3.151
186 HB3 ARG 26 HB3 ARG 26 -5.698 2.935 -4.162
187 HG2 ARG 26 HG2 ARG 26 -6.364 0.235 -4.703
188 HG3 ARG 26 HG3 ARG 26 -6.312 0.443 -2.952
189 HD2 ARG 26 HD2 ARG 26 -8.484 1.024 -3.412
190 HD3 ARG 26 HD3 ARG 26 -7.689 2.592 -3.439
191 HE ARG 26 HE ARG 26 -7.556 1.806 -6.026
192 HH11 ARG 26 HH11 ARG 26 -10.191 2.029 -3.748
193 HH12 ARG 26 HH12 ARG 26 -11.381 2.350 -4.966
194 HH21 ARG 26 HH21 ARG 26 -9.120 2.229 -7.628
195 HH22 ARG 26 HH22 ARG 26 -10.773 2.463 -7.168
196 H CYS 27 H CYS 27 -1.950 1.067 -5.125
197 HA CYS 27 HA CYS 27 0.005 2.159 -4.643
198 HB2 CYS 27 HB2 CYS 27 -0.484 2.339 -7.173
199 HB3 CYS 27 HB3 CYS 27 -0.775 4.042 -6.845
200 H SER 28 H SER 28 -1.610 5.111 -5.750
201 HA SER 28 HA SER 28 -1.607 6.150 -3.105
202 HB2 SER 28 HB2 SER 28 0.544 6.867 -3.757
203 HB3 SER 28 HB3 SER 28 -0.015 7.273 -5.379
204 HG SER 28 HG SER 28 0.311 9.084 -3.887
205 H SER 29 H SER 29 -3.892 5.540 -4.142
206 HA SER 29 HA SER 29 -5.178 8.074 -4.553
207 HB2 SER 29 HB2 SER 29 -5.369 5.961 -6.709
208 HB3 SER 29 HB3 SER 29 -6.340 7.432 -6.619
209 HG SER 29 HG SER 29 -3.572 7.161 -7.108
210 H ASN 30 H ASN 30 -7.250 8.058 -3.904
211 HA ASN 30 HA ASN 30 -9.057 7.385 -2.683
212 HB2 ASN 30 HB2 ASN 30 -8.691 5.173 -4.676
213 HB3 ASN 30 HB3 ASN 30 -9.950 5.051 -3.450
214 HD21 ASN 30 HD21 ASN 30 -11.693 6.452 -3.510
215 HD22 ASN 30 HD22 ASN 30 -12.064 7.405 -4.904
216 H THR 31 H THR 31 -6.259 6.560 -1.825
217 HA THR 31 HA THR 31 -6.978 5.177 0.500
218 HB THR 31 HB THR 31 -5.418 3.644 -1.558
219 HG1 THR 31 HG1 THR 31 -7.126 2.258 -1.542
220 HG21 THR 31 HG21 THR 31 -6.169 2.631 1.159
221 HG22 THR 31 HG22 THR 31 -4.599 3.356 0.815
222 HG23 THR 31 HG23 THR 31 -5.099 1.893 -0.033
223 HA PRO 32 HA PRO 32 -3.283 8.102 0.610
224 HB2 PRO 32 HB2 PRO 32 -3.647 8.200 3.428
225 HB3 PRO 32 HB3 PRO 32 -4.038 9.454 2.251
226 HG2 PRO 32 HG2 PRO 32 -5.787 7.404 3.498
227 HG3 PRO 32 HG3 PRO 32 -6.185 9.053 2.963
228 HD2 PRO 32 HD2 PRO 32 -6.993 6.934 1.510
229 HD3 PRO 32 HD3 PRO 32 -6.384 8.391 0.688
230 HA PRO 33 HA PRO 33 -0.981 4.404 1.953
231 HB2 PRO 33 HB2 PRO 33 0.992 4.574 0.185
232 HB3 PRO 33 HB3 PRO 33 -0.620 4.049 -0.322
233 HG2 PRO 33 HG2 PRO 33 0.668 6.741 -0.593
234 HG3 PRO 33 HG3 PRO 33 -0.276 5.832 -1.784
235 HD2 PRO 33 HD2 PRO 33 -1.299 7.849 -0.215
236 HD3 PRO 33 HD3 PRO 33 -2.272 6.543 -0.919
237 H LEU 34 H LEU 34 -0.687 5.807 3.905
238 HA LEU 34 HA LEU 34 1.525 7.568 4.002
239 HB2 LEU 34 HB2 LEU 34 0.430 6.083 6.390
240 HB3 LEU 34 HB3 LEU 34 1.276 7.614 6.376
241 HG LEU 34 HG LEU 34 -1.515 7.090 5.365
242 HD11 LEU 34 HD11 LEU 34 -1.749 9.052 7.164
243 HD12 LEU 34 HD12 LEU 34 -0.351 8.211 7.837
244 HD13 LEU 34 HD13 LEU 34 -1.865 7.342 7.582
245 HD21 LEU 34 HD21 LEU 34 -0.153 9.764 5.463
246 HD22 LEU 34 HD22 LEU 34 -1.648 9.315 4.644
247 HD23 LEU 34 HD23 LEU 34 -0.098 8.746 4.024
248 H THR 35 H THR 35 1.211 4.131 4.897
249 HA THR 35 HA THR 35 4.074 3.991 5.323
250 HB THR 35 HB THR 35 2.625 2.775 6.870
251 HG1 THR 35 HG1 THR 35 3.606 0.713 6.616
252 HG21 THR 35 HG21 THR 35 1.557 1.533 4.383
253 HG22 THR 35 HG22 THR 35 0.699 2.129 5.804
254 HG23 THR 35 HG23 THR 35 1.591 0.609 5.885
255 H CYS 36 H CYS 36 2.203 4.134 2.665
256 HA CYS 36 HA CYS 36 3.873 2.193 1.221
257 HB2 CYS 36 HB2 CYS 36 0.977 2.657 1.144
258 HB3 CYS 36 HB3 CYS 36 1.736 2.525 -0.438
259 H GLN 37 H GLN 37 3.104 5.479 1.543
260 HA GLN 37 HA GLN 37 3.203 6.516 -0.994
261 HB2 GLN 37 HB2 GLN 37 3.291 7.573 1.522
262 HB3 GLN 37 HB3 GLN 37 4.898 7.962 0.929
263 HG2 GLN 37 HG2 GLN 37 3.394 8.715 -1.184
264 HG3 GLN 37 HG3 GLN 37 2.280 9.032 0.145
265 HE21 GLN 37 HE21 GLN 37 3.024 10.417 1.868
266 HE22 GLN 37 HE22 GLN 37 4.175 11.660 1.528
267 H ARG 38 H ARG 38 5.762 5.044 0.812
268 HA ARG 38 HA ARG 38 7.862 5.979 -0.928
269 HB2 ARG 38 HB2 ARG 38 8.871 5.603 1.063
270 HB3 ARG 38 HB3 ARG 38 7.643 4.462 1.580
271 HG2 ARG 38 HG2 ARG 38 9.486 3.123 1.518
272 HG3 ARG 38 HG3 ARG 38 8.852 2.858 -0.103
273 HD2 ARG 38 HD2 ARG 38 11.046 3.265 -0.585
274 HD3 ARG 38 HD3 ARG 38 10.394 4.896 -0.692
275 HE ARG 38 HE ARG 38 11.140 4.771 1.884
276 HH11 ARG 38 HH11 ARG 38 12.837 3.938 -1.051
277 HH12 ARG 38 HH12 ARG 38 14.399 4.292 -0.395
278 HH21 ARG 38 HH21 ARG 38 13.193 5.237 2.747
279 HH22 ARG 38 HH22 ARG 38 14.602 5.029 1.761
280 H TYR 39 H TYR 39 5.906 3.086 -0.548
281 HA TYR 39 HA TYR 39 7.388 1.576 -2.465
282 HB2 TYR 39 HB2 TYR 39 6.105 0.516 -0.619
283 HB3 TYR 39 HB3 TYR 39 4.614 1.079 -1.366
284 HD1 TYR 39 HD1 TYR 39 3.778 0.050 -3.403
285 HD2 TYR 39 HD2 TYR 39 7.349 -1.338 -1.558
286 HE1 TYR 39 HE1 TYR 39 3.674 -1.999 -4.756
287 HE2 TYR 39 HE2 TYR 39 7.254 -3.391 -2.902
288 HH TYR 39 HH TYR 39 5.458 -4.733 -4.096
289 H CYS 40 H CYS 40 4.458 3.516 -2.483
290 HA CYS 40 HA CYS 40 3.546 2.828 -5.039
291 HB2 CYS 40 HB2 CYS 40 2.236 4.186 -3.405
292 HB3 CYS 40 HB3 CYS 40 3.311 5.545 -3.719
293 H ASN 41 H ASN 41 6.094 5.008 -3.998
294 HA ASN 41 HA ASN 41 6.434 6.223 -6.520
295 HB2 ASN 41 HB2 ASN 41 8.548 7.096 -5.687
296 HB3 ASN 41 HB3 ASN 41 7.301 7.274 -4.464
297 HD21 ASN 41 HD21 ASN 41 9.496 4.598 -5.378
298 HD22 ASN 41 HD22 ASN 41 10.097 4.357 -3.783
299 H ALA 42 H ALA 42 7.156 3.179 -5.315
300 HA ALA 42 HA ALA 42 9.048 2.660 -7.504
301 HB1 ALA 42 HB1 ALA 42 10.164 1.201 -6.198
302 HB2 ALA 42 HB2 ALA 42 8.687 0.564 -5.473
303 HB3 ALA 42 HB3 ALA 42 9.381 2.073 -4.878
304 H SER 43 H SER 43 6.142 2.857 -7.692
305 HA SER 43 HA SER 43 5.666 0.284 -8.971
306 HB2 SER 43 HB2 SER 43 4.011 1.526 -6.820
307 HB3 SER 43 HB3 SER 43 3.186 0.653 -8.111
308 HG SER 43 HG SER 43 4.746 -1.092 -7.595
309 H VAL 44 H VAL 44 4.793 3.662 -8.592
310 HA VAL 44 HA VAL 44 3.740 5.163 -9.933
311 HB VAL 44 HB VAL 44 5.902 4.834 -11.130
312 HG11 VAL 44 HG11 VAL 44 4.318 2.743 -12.558
313 HG12 VAL 44 HG12 VAL 44 5.972 2.686 -11.953
314 HG13 VAL 44 HG13 VAL 44 5.596 3.612 -13.405
315 HG21 VAL 44 HG21 VAL 44 4.868 5.600 -13.435
316 HG22 VAL 44 HG22 VAL 44 4.803 6.628 -12.004
317 HG23 VAL 44 HG23 VAL 44 3.392 5.680 -12.474
318 H THR 45 H THR 45 1.982 3.397 -9.188
319 HA THR 45 HA THR 45 -0.115 2.661 -9.606
320 HB THR 45 HB THR 45 0.417 4.531 -11.812
321 HG1 THR 45 HG1 THR 45 -0.989 5.554 -10.680
322 HG21 THR 45 HG21 THR 45 -0.499 3.070 -13.348
323 HG22 THR 45 HG22 THR 45 -1.909 3.960 -12.775
324 HG23 THR 45 HG23 THR 45 -1.583 2.339 -12.164
325 H ASN 46 H ASN 46 1.446 2.322 -12.824
326 HA ASN 46 HA ASN 46 1.947 -0.401 -12.673
327 HB2 ASN 46 HB2 ASN 46 -0.861 0.232 -13.104
328 HB3 ASN 46 HB3 ASN 46 -0.201 -0.760 -14.400
329 HD21 ASN 46 HD21 ASN 46 -2.171 -1.634 -12.643
330 HD22 ASN 46 HD22 ASN 46 -1.523 -2.912 -11.678
331 H SER 47 H SER 47 3.706 0.023 -13.968
332 HA SER 47 HA SER 47 4.910 0.340 -15.866
333 HB2 SER 47 HB2 SER 47 2.230 -0.423 -17.007
334 HB3 SER 47 HB3 SER 47 3.600 -0.049 -18.055
335 HG SER 47 HG SER 47 3.650 -1.993 -15.989
336 H VAL 48 H VAL 48 4.898 2.622 -14.994
337 HA VAL 48 HA VAL 48 4.744 4.847 -15.216
338 HB VAL 48 HB VAL 48 4.886 5.746 -17.532
339 HG11 VAL 48 HG11 VAL 48 7.188 4.303 -17.813
340 HG12 VAL 48 HG12 VAL 48 6.809 4.073 -16.106
341 HG13 VAL 48 HG13 VAL 48 6.984 5.702 -16.759
342 HG21 VAL 48 HG21 VAL 48 5.395 4.216 -19.357
343 HG22 VAL 48 HG22 VAL 48 3.787 3.895 -18.712
344 HG23 VAL 48 HG23 VAL 48 5.133 2.836 -18.292
345 H LYS 49 H LYS 49 2.895 5.263 -14.344
346 HA LYS 49 HA LYS 49 0.730 5.954 -14.089
347 HB2 LYS 49 HB2 LYS 49 1.800 7.232 -16.486
348 HB3 LYS 49 HB3 LYS 49 0.044 7.140 -16.491
349 HG2 LYS 49 HG2 LYS 49 0.061 8.990 -15.268
350 HG3 LYS 49 HG3 LYS 49 0.649 7.996 -13.933
351 HD2 LYS 49 HD2 LYS 49 2.960 8.462 -15.252
352 HD3 LYS 49 HD3 LYS 49 2.077 9.944 -15.624
353 HE2 LYS 49 HE2 LYS 49 1.793 10.450 -13.317
354 HE3 LYS 49 HE3 LYS 49 2.378 8.858 -12.833
355 HZ1 LYS 49 HZ1 LYS 49 3.908 11.156 -13.860
356 HZ2 LYS 49 HZ2 LYS 49 4.520 9.590 -14.027
357 HZ3 LYS 49 HZ3 LYS 49 4.197 10.209 -12.488
358 H CY1 50 H CY1 50 -1.455 6.168 -15.652
359 HA CY1 50 HA CY1 50 -1.801 3.544 -16.935
360 HB2 CY1 50 HB2 CY1 50 -2.672 3.626 -14.535
361 HB3 CY1 50 HB3 CY1 50 -3.893 4.749 -15.126
362 HD2 CY1 50 HD2 CY1 50 -2.728 1.630 -14.596
363 HD3 CY1 50 HD3 CY1 50 -4.607 1.152 -14.303
364 HE CY1 50 HE CY1 50 -2.696 -0.082 -16.202
365 HM1 CY1 50 HM1 CY1 50 -2.818 -2.464 -16.315
366 HM2 CY1 50 HM2 CY1 50 -4.143 -2.009 -17.439
367 HM3 CY1 50 HM3 CY1 50 -4.426 -3.138 -16.127
368 HN1 NH2 51 HN1 NH2 51 -1.720 4.631 -18.958
369 HN2 NH2 51 HN2 NH2 51 -3.034 5.608 -19.509
Start of MODEL 6
1 H1 LEU 1 H1 LEU 1 -2.688 -9.736 8.944
2 H2 LEU 1 H2 LEU 1 -3.897 -8.520 8.904
3 H3 LEU 1 H3 LEU 1 -4.058 -9.926 7.932
4 HA LEU 1 HA LEU 1 -5.466 -10.302 9.666
5 HB2 LEU 1 HB2 LEU 1 -2.772 -11.570 9.938
6 HB3 LEU 1 HB3 LEU 1 -4.006 -11.938 11.128
7 HG LEU 1 HG LEU 1 -4.039 -13.658 9.468
8 HD11 LEU 1 HD11 LEU 1 -6.304 -13.672 8.921
9 HD12 LEU 1 HD12 LEU 1 -6.364 -11.921 8.722
10 HD13 LEU 1 HD13 LEU 1 -6.220 -12.621 10.335
11 HD21 LEU 1 HD21 LEU 1 -3.113 -11.814 7.729
12 HD22 LEU 1 HD22 LEU 1 -4.800 -11.911 7.223
13 HD23 LEU 1 HD23 LEU 1 -3.801 -13.365 7.246
14 H GLN 2 H GLN 2 -2.318 -9.659 11.225
15 HA GLN 2 HA GLN 2 -3.744 -8.055 13.236
16 HB2 GLN 2 HB2 GLN 2 -1.933 -8.951 14.854
17 HB3 GLN 2 HB3 GLN 2 -3.307 -9.979 14.469
18 HG2 GLN 2 HG2 GLN 2 -2.050 -11.454 13.277
19 HG3 GLN 2 HG3 GLN 2 -0.872 -10.236 12.794
20 HE21 GLN 2 HE21 GLN 2 0.815 -9.717 14.190
21 HE22 GLN 2 HE22 GLN 2 1.242 -10.720 15.530
22 H MET 3 H MET 3 -2.792 -6.211 13.884
23 HA MET 3 HA MET 3 -0.571 -5.082 14.257
24 HB2 MET 3 HB2 MET 3 -0.367 -5.860 11.385
25 HB3 MET 3 HB3 MET 3 0.276 -4.308 11.886
26 HG2 MET 3 HG2 MET 3 1.720 -6.566 11.852
27 HG3 MET 3 HG3 MET 3 2.047 -5.207 12.922
28 HE1 MET 3 HE1 MET 3 2.793 -7.502 15.756
29 HE2 MET 3 HE2 MET 3 3.113 -5.999 14.892
30 HE3 MET 3 HE3 MET 3 3.467 -7.548 14.126
31 H ALA 4 H ALA 4 -1.360 -3.289 14.848
32 HA ALA 4 HA ALA 4 -3.241 -1.821 13.127
33 HB1 ALA 4 HB1 ALA 4 -2.882 -2.064 16.050
34 HB2 ALA 4 HB2 ALA 4 -4.356 -1.909 15.092
35 HB3 ALA 4 HB3 ALA 4 -3.380 -0.483 15.445
36 H GLY 5 H GLY 5 -1.297 -1.185 11.819
37 HA2 GLY 5 HA2 GLY 5 -0.437 1.060 11.302
38 HA3 GLY 5 HA3 GLY 5 -0.050 1.232 13.011
39 H GLN 6 H GLN 6 0.558 -1.619 11.008
40 HA GLN 6 HA GLN 6 3.158 -1.131 10.282
41 HB2 GLN 6 HB2 GLN 6 3.028 -1.438 13.046
42 HB3 GLN 6 HB3 GLN 6 3.568 -3.008 12.470
43 HG2 GLN 6 HG2 GLN 6 5.508 -1.754 12.925
44 HG3 GLN 6 HG3 GLN 6 5.347 -1.803 11.171
45 HE21 GLN 6 HE21 GLN 6 5.805 0.152 13.840
46 HE22 GLN 6 HE22 GLN 6 5.525 1.686 13.096
47 H CYS 7 H CYS 7 1.797 -2.152 8.668
48 HA CYS 7 HA CYS 7 1.559 -5.058 8.904
49 HB2 CYS 7 HB2 CYS 7 -0.238 -3.404 7.901
50 HB3 CYS 7 HB3 CYS 7 0.737 -3.589 6.437
51 H SER 8 H SER 8 2.125 -6.350 6.960
52 HA SER 8 HA SER 8 4.830 -6.244 6.393
53 HB2 SER 8 HB2 SER 8 4.115 -7.608 4.281
54 HB3 SER 8 HB3 SER 8 3.820 -8.293 5.879
55 HG SER 8 HG SER 8 1.892 -6.772 4.468
56 H GLN 9 H GLN 9 5.986 -5.611 4.506
57 HA GLN 9 HA GLN 9 5.768 -3.073 3.698
58 HB2 GLN 9 HB2 GLN 9 7.104 -3.592 1.746
59 HB3 GLN 9 HB3 GLN 9 7.642 -4.569 3.105
60 HG2 GLN 9 HG2 GLN 9 6.845 -6.521 2.195
61 HG3 GLN 9 HG3 GLN 9 5.642 -5.695 1.206
62 HE21 GLN 9 HE21 GLN 9 9.012 -6.546 1.509
63 HE22 GLN 9 HE22 GLN 9 9.433 -6.272 -0.144
64 H ASN 10 H ASN 10 4.904 -1.855 2.135
65 HA ASN 10 HA ASN 10 3.177 -1.038 0.941
66 HB2 ASN 10 HB2 ASN 10 2.660 -2.311 -1.176
67 HB3 ASN 10 HB3 ASN 10 4.382 -2.056 -0.910
68 HD21 ASN 10 HD21 ASN 10 1.826 -4.453 -0.266
69 HD22 ASN 10 HD22 ASN 10 2.832 -5.829 -0.536
70 H GLU 11 H GLU 11 2.398 -2.539 3.278
71 HA GLU 11 HA GLU 11 -0.316 -3.203 2.392
72 HB2 GLU 11 HB2 GLU 11 1.417 -5.085 3.355
73 HB3 GLU 11 HB3 GLU 11 0.514 -4.629 4.791
74 HG2 GLU 11 HG2 GLU 11 -1.469 -5.425 3.969
75 HG3 GLU 11 HG3 GLU 11 -0.974 -5.233 2.287
76 H TYR 12 H TYR 12 -2.031 -2.381 3.519
77 HA TYR 12 HA TYR 12 -1.243 -0.993 6.024
78 HB2 TYR 12 HB2 TYR 12 -2.254 1.037 5.457
79 HB3 TYR 12 HB3 TYR 12 -1.351 0.572 4.024
80 HD1 TYR 12 HD1 TYR 12 -2.591 -0.358 2.052
81 HD2 TYR 12 HD2 TYR 12 -4.588 1.367 5.385
82 HE1 TYR 12 HE1 TYR 12 -4.613 -0.072 0.685
83 HE2 TYR 12 HE2 TYR 12 -6.616 1.657 4.030
84 HH TYR 12 HH TYR 12 -6.834 1.811 1.053
85 H PHE 13 H PHE 13 -2.412 -1.428 7.672
86 HA PHE 13 HA PHE 13 -4.828 -3.000 7.463
87 HB2 PHE 13 HB2 PHE 13 -3.001 -3.344 9.183
88 HB3 PHE 13 HB3 PHE 13 -3.549 -1.861 9.953
89 HD1 PHE 13 HD1 PHE 13 -4.622 -5.267 8.978
90 HD2 PHE 13 HD2 PHE 13 -5.361 -1.866 11.427
91 HE1 PHE 13 HE1 PHE 13 -6.301 -6.546 10.243
92 HE2 PHE 13 HE2 PHE 13 -7.040 -3.138 12.695
93 HZ PHE 13 HZ PHE 13 -7.513 -5.482 12.103
94 H ASP 14 H ASP 14 -6.714 -2.011 7.059
95 HA ASP 14 HA ASP 14 -7.178 0.749 7.787
96 HB2 ASP 14 HB2 ASP 14 -8.768 -1.390 6.419
97 HB3 ASP 14 HB3 ASP 14 -9.594 0.037 7.034
98 H SER 15 H SER 15 -7.118 0.935 9.985
99 HA SER 15 HA SER 15 -8.091 -0.791 11.880
100 HB2 SER 15 HB2 SER 15 -8.156 1.075 13.418
101 HB3 SER 15 HB3 SER 15 -6.781 1.296 12.337
102 HG SER 15 HG SER 15 -8.206 2.681 11.081
103 H LEU 16 H LEU 16 -9.891 1.238 9.738
104 HA LEU 16 HA LEU 16 -12.346 1.025 11.264
105 HB2 LEU 16 HB2 LEU 16 -11.786 3.018 9.868
106 HB3 LEU 16 HB3 LEU 16 -11.939 2.010 8.441
107 HG LEU 16 HG LEU 16 -14.284 1.982 10.220
108 HD11 LEU 16 HD11 LEU 16 -14.083 4.397 8.520
109 HD12 LEU 16 HD12 LEU 16 -13.233 4.417 10.065
110 HD13 LEU 16 HD13 LEU 16 -14.973 4.134 10.020
111 HD21 LEU 16 HD21 LEU 16 -14.775 0.928 8.274
112 HD22 LEU 16 HD22 LEU 16 -13.638 1.894 7.334
113 HD23 LEU 16 HD23 LEU 16 -15.203 2.567 7.785
114 H LEU 17 H LEU 17 -10.711 -0.654 8.723
115 HA LEU 17 HA LEU 17 -13.082 -2.260 8.108
116 HB2 LEU 17 HB2 LEU 17 -10.393 -2.156 6.747
117 HB3 LEU 17 HB3 LEU 17 -11.806 -3.031 6.179
118 HG LEU 17 HG LEU 17 -11.594 -0.029 6.427
119 HD11 LEU 17 HD11 LEU 17 -10.382 -1.526 4.546
120 HD12 LEU 17 HD12 LEU 17 -11.021 0.091 4.250
121 HD13 LEU 17 HD13 LEU 17 -11.971 -1.327 3.808
122 HD21 LEU 17 HD21 LEU 17 -13.714 -0.245 4.963
123 HD22 LEU 17 HD22 LEU 17 -13.851 -0.479 6.706
124 HD23 LEU 17 HD23 LEU 17 -13.811 -1.875 5.630
125 H HIS 18 H HIS 18 -10.047 -2.414 9.787
126 HA HIS 18 HA HIS 18 -9.009 -4.092 10.927
127 HB2 HIS 18 HB2 HIS 18 -11.825 -5.001 10.777
128 HB3 HIS 18 HB3 HIS 18 -10.623 -6.211 11.205
129 HD1 HIS 18 HD1 HIS 18 -12.272 -3.109 12.481
130 HD2 HIS 18 HD2 HIS 18 -9.450 -5.893 13.730
131 HE1 HIS 18 HE1 HIS 18 -11.936 -2.672 14.934
132 HE2 HIS 18 HE2 HIS 18 -10.294 -4.429 15.687
133 H ALA 19 H ALA 19 -8.311 -3.932 8.402
134 HA ALA 19 HA ALA 19 -7.601 -6.599 7.680
135 HB1 ALA 19 HB1 ALA 19 -8.521 -5.449 5.258
136 HB2 ALA 19 HB2 ALA 19 -9.848 -5.397 6.429
137 HB3 ALA 19 HB3 ALA 19 -9.069 -6.934 6.047
138 H CYS 20 H CYS 20 -5.784 -6.640 6.604
139 HA CYS 20 HA CYS 20 -4.393 -4.149 6.139
140 HB2 CYS 20 HB2 CYS 20 -3.607 -6.972 6.500
141 HB3 CYS 20 HB3 CYS 20 -2.637 -6.071 5.341
142 H ILE 21 H ILE 21 -4.667 -3.185 4.289
143 HA ILE 21 HA ILE 21 -5.279 -4.736 1.876
144 HB ILE 21 HB ILE 21 -5.717 -1.837 2.576
145 HG12 ILE 21 HG12 ILE 21 -8.070 -2.339 2.393
146 HG13 ILE 21 HG13 ILE 21 -7.731 -3.946 1.762
147 HG21 ILE 21 HG21 ILE 21 -5.022 -2.281 0.138
148 HG22 ILE 21 HG22 ILE 21 -6.494 -1.356 0.421
149 HG23 ILE 21 HG23 ILE 21 -6.596 -3.057 -0.023
150 HD11 ILE 21 HD11 ILE 21 -6.793 -3.160 4.475
151 HD12 ILE 21 HD12 ILE 21 -7.123 -4.765 3.830
152 HD13 ILE 21 HD13 ILE 21 -8.457 -3.677 4.212
153 HA PRO 22 HA PRO 22 -1.292 -3.705 0.353
154 HB2 PRO 22 HB2 PRO 22 -1.628 -4.199 -2.291
155 HB3 PRO 22 HB3 PRO 22 -1.529 -5.492 -1.089
156 HG2 PRO 22 HG2 PRO 22 -3.946 -4.276 -2.372
157 HG3 PRO 22 HG3 PRO 22 -3.588 -5.985 -2.054
158 HD2 PRO 22 HD2 PRO 22 -5.214 -4.490 -0.448
159 HD3 PRO 22 HD3 PRO 22 -4.234 -5.836 0.163
160 H CYS 23 H CYS 23 -0.185 -2.180 -1.095
161 HA CYS 23 HA CYS 23 -1.885 0.158 -1.720
162 HB2 CYS 23 HB2 CYS 23 1.079 0.313 -1.183
163 HB3 CYS 23 HB3 CYS 23 -0.113 1.606 -1.150
164 H GLN 24 H GLN 24 0.347 -2.129 -3.002
165 HA GLN 24 HA GLN 24 1.384 -0.730 -5.179
166 HB2 GLN 24 HB2 GLN 24 0.645 -3.569 -5.624
167 HB3 GLN 24 HB3 GLN 24 2.155 -2.738 -5.968
168 HG2 GLN 24 HG2 GLN 24 2.443 -2.686 -3.406
169 HG3 GLN 24 HG3 GLN 24 1.203 -3.939 -3.404
170 HE21 GLN 24 HE21 GLN 24 2.475 -5.601 -2.730
171 HE22 GLN 24 HE22 GLN 24 3.778 -6.251 -3.660
172 H LEU 25 H LEU 25 -1.474 -2.768 -5.030
173 HA LEU 25 HA LEU 25 -2.354 -2.227 -7.649
174 HB2 LEU 25 HB2 LEU 25 -3.019 -4.105 -5.947
175 HB3 LEU 25 HB3 LEU 25 -4.261 -2.962 -5.474
176 HG LEU 25 HG LEU 25 -4.665 -2.942 -8.126
177 HD11 LEU 25 HD11 LEU 25 -2.762 -4.838 -8.035
178 HD12 LEU 25 HD12 LEU 25 -4.043 -4.795 -9.246
179 HD13 LEU 25 HD13 LEU 25 -4.201 -5.836 -7.831
180 HD21 LEU 25 HD21 LEU 25 -5.731 -5.008 -6.205
181 HD22 LEU 25 HD22 LEU 25 -6.474 -4.544 -7.736
182 HD23 LEU 25 HD23 LEU 25 -6.352 -3.372 -6.423
183 H ARG 26 H ARG 26 -2.332 -0.266 -4.910
184 HA ARG 26 HA ARG 26 -4.536 1.356 -5.937
185 HB2 ARG 26 HB2 ARG 26 -3.333 1.637 -3.205
186 HB3 ARG 26 HB3 ARG 26 -4.888 2.225 -3.769
187 HG2 ARG 26 HG2 ARG 26 -4.161 -0.672 -3.409
188 HG3 ARG 26 HG3 ARG 26 -5.112 0.295 -2.280
189 HD2 ARG 26 HD2 ARG 26 -5.837 -0.317 -5.141
190 HD3 ARG 26 HD3 ARG 26 -6.531 -1.084 -3.719
191 HE ARG 26 HE ARG 26 -7.136 1.551 -4.743
192 HH11 ARG 26 HH11 ARG 26 -7.266 -0.567 -1.971
193 HH12 ARG 26 HH12 ARG 26 -8.551 0.306 -1.208
194 HH21 ARG 26 HH21 ARG 26 -8.825 2.701 -3.738
195 HH22 ARG 26 HH22 ARG 26 -9.436 2.162 -2.211
196 H CYS 27 H CYS 27 -1.322 1.185 -5.995
197 HA CYS 27 HA CYS 27 -0.357 3.754 -5.449
198 HB2 CYS 27 HB2 CYS 27 1.031 1.689 -5.992
199 HB3 CYS 27 HB3 CYS 27 0.653 1.972 -7.687
200 H SER 28 H SER 28 0.544 5.205 -7.360
201 HA SER 28 HA SER 28 0.161 6.666 -8.996
202 HB2 SER 28 HB2 SER 28 -0.440 5.763 -11.007
203 HB3 SER 28 HB3 SER 28 -0.058 4.314 -10.075
204 HG SER 28 HG SER 28 -2.080 4.203 -11.236
205 H SER 29 H SER 29 -1.179 7.429 -6.912
206 HA SER 29 HA SER 29 -2.868 8.777 -6.208
207 HB2 SER 29 HB2 SER 29 -3.828 10.166 -7.773
208 HB3 SER 29 HB3 SER 29 -2.431 9.573 -8.670
209 HG SER 29 HG SER 29 -3.805 8.858 -10.075
210 H ASN 30 H ASN 30 -5.096 8.937 -5.857
211 HA ASN 30 HA ASN 30 -7.274 8.226 -5.653
212 HB2 ASN 30 HB2 ASN 30 -6.524 6.768 -7.876
213 HB3 ASN 30 HB3 ASN 30 -7.014 5.522 -6.734
214 HD21 ASN 30 HD21 ASN 30 -8.976 7.052 -5.371
215 HD22 ASN 30 HD22 ASN 30 -10.308 7.274 -6.449
216 H THR 31 H THR 31 -4.716 7.380 -4.094
217 HA THR 31 HA THR 31 -6.076 6.113 -1.998
218 HB THR 31 HB THR 31 -4.129 4.440 -3.554
219 HG1 THR 31 HG1 THR 31 -6.888 4.156 -2.990
220 HG21 THR 31 HG21 THR 31 -5.563 3.152 -1.369
221 HG22 THR 31 HG22 THR 31 -4.372 4.341 -0.843
222 HG23 THR 31 HG23 THR 31 -3.881 2.998 -1.875
223 HA PRO 32 HA PRO 32 -2.374 8.879 -1.027
224 HB2 PRO 32 HB2 PRO 32 -3.527 9.226 1.547
225 HB3 PRO 32 HB3 PRO 32 -3.484 10.395 0.227
226 HG2 PRO 32 HG2 PRO 32 -5.643 8.523 1.041
227 HG3 PRO 32 HG3 PRO 32 -5.766 10.146 0.322
228 HD2 PRO 32 HD2 PRO 32 -6.261 7.967 -1.182
229 HD3 PRO 32 HD3 PRO 32 -5.344 9.327 -1.873
230 HA PRO 33 HA PRO 33 -0.874 5.242 1.270
231 HB2 PRO 33 HB2 PRO 33 1.362 4.857 -0.122
232 HB3 PRO 33 HB3 PRO 33 -0.210 4.398 -0.788
233 HG2 PRO 33 HG2 PRO 33 1.531 6.706 -1.461
234 HG3 PRO 33 HG3 PRO 33 0.410 5.804 -2.491
235 HD2 PRO 33 HD2 PRO 33 -0.063 8.288 -1.201
236 HD3 PRO 33 HD3 PRO 33 -1.240 7.297 -2.080
237 H LEU 34 H LEU 34 -0.695 6.978 2.963
238 HA LEU 34 HA LEU 34 1.699 8.445 3.140
239 HB2 LEU 34 HB2 LEU 34 1.187 8.573 5.651
240 HB3 LEU 34 HB3 LEU 34 0.083 9.335 4.532
241 HG LEU 34 HG LEU 34 -1.475 7.412 4.802
242 HD11 LEU 34 HD11 LEU 34 -0.723 6.227 7.152
243 HD12 LEU 34 HD12 LEU 34 0.808 6.344 6.287
244 HD13 LEU 34 HD13 LEU 34 -0.558 5.504 5.553
245 HD21 LEU 34 HD21 LEU 34 -1.199 9.567 6.342
246 HD22 LEU 34 HD22 LEU 34 -0.943 8.317 7.561
247 HD23 LEU 34 HD23 LEU 34 -2.436 8.340 6.621
248 H THR 35 H THR 35 0.880 5.226 4.350
249 HA THR 35 HA THR 35 3.597 4.936 5.340
250 HB THR 35 HB THR 35 1.747 4.110 6.743
251 HG1 THR 35 HG1 THR 35 3.446 2.119 5.663
252 HG21 THR 35 HG21 THR 35 1.150 2.402 4.361
253 HG22 THR 35 HG22 THR 35 0.054 3.398 5.318
254 HG23 THR 35 HG23 THR 35 0.706 1.906 5.995
255 H CYS 36 H CYS 36 2.188 4.785 2.393
256 HA CYS 36 HA CYS 36 3.964 2.601 1.552
257 HB2 CYS 36 HB2 CYS 36 1.123 3.125 0.746
258 HB3 CYS 36 HB3 CYS 36 2.211 2.230 -0.309
259 H GLN 37 H GLN 37 3.336 5.863 1.258
260 HA GLN 37 HA GLN 37 3.563 6.465 -1.412
261 HB2 GLN 37 HB2 GLN 37 3.743 7.872 1.009
262 HB3 GLN 37 HB3 GLN 37 5.218 8.259 0.134
263 HG2 GLN 37 HG2 GLN 37 3.672 8.742 -1.855
264 HG3 GLN 37 HG3 GLN 37 2.378 8.765 -0.658
265 HE21 GLN 37 HE21 GLN 37 1.969 10.627 0.297
266 HE22 GLN 37 HE22 GLN 37 3.027 11.992 0.353
267 H ARG 38 H ARG 38 6.016 5.305 0.749
268 HA ARG 38 HA ARG 38 8.226 5.951 -0.941
269 HB2 ARG 38 HB2 ARG 38 9.585 4.743 0.587
270 HB3 ARG 38 HB3 ARG 38 8.363 5.558 1.549
271 HG2 ARG 38 HG2 ARG 38 8.067 2.694 0.700
272 HG3 ARG 38 HG3 ARG 38 8.933 3.162 2.161
273 HD2 ARG 38 HD2 ARG 38 6.684 4.568 2.511
274 HD3 ARG 38 HD3 ARG 38 6.042 3.237 1.556
275 HE ARG 38 HE ARG 38 6.293 1.869 3.375
276 HH11 ARG 38 HH11 ARG 38 8.305 4.685 3.825
277 HH12 ARG 38 HH12 ARG 38 8.766 4.253 5.437
278 HH21 ARG 38 HH21 ARG 38 6.897 1.299 5.495
279 HH22 ARG 38 HH22 ARG 38 7.967 2.330 6.385
280 H TYR 39 H TYR 39 6.280 3.044 -0.406
281 HA TYR 39 HA TYR 39 7.778 1.480 -2.258
282 HB2 TYR 39 HB2 TYR 39 6.539 0.515 -0.308
283 HB3 TYR 39 HB3 TYR 39 5.033 0.912 -1.131
284 HD1 TYR 39 HD1 TYR 39 4.534 -0.187 -3.341
285 HD2 TYR 39 HD2 TYR 39 7.734 -1.449 -0.839
286 HE1 TYR 39 HE1 TYR 39 4.630 -2.322 -4.554
287 HE2 TYR 39 HE2 TYR 39 7.844 -3.587 -2.048
288 HH TYR 39 HH TYR 39 5.504 -4.785 -3.885
289 H CYS 40 H CYS 40 4.685 3.166 -2.300
290 HA CYS 40 HA CYS 40 3.802 2.334 -4.820
291 HB2 CYS 40 HB2 CYS 40 2.282 3.517 -3.375
292 HB3 CYS 40 HB3 CYS 40 3.334 4.925 -3.322
293 H ASN 41 H ASN 41 5.789 5.150 -3.927
294 HA ASN 41 HA ASN 41 6.153 5.978 -6.598
295 HB2 ASN 41 HB2 ASN 41 7.126 7.787 -5.671
296 HB3 ASN 41 HB3 ASN 41 6.691 7.083 -4.120
297 HD21 ASN 41 HD21 ASN 41 8.403 5.158 -3.645
298 HD22 ASN 41 HD22 ASN 41 10.037 5.720 -3.662
299 H ALA 42 H ALA 42 7.478 3.504 -4.759
300 HA ALA 42 HA ALA 42 9.659 3.137 -6.694
301 HB1 ALA 42 HB1 ALA 42 10.725 3.295 -4.630
302 HB2 ALA 42 HB2 ALA 42 10.560 1.555 -4.859
303 HB3 ALA 42 HB3 ALA 42 9.446 2.414 -3.794
304 H SER 43 H SER 43 6.846 2.418 -6.944
305 HA SER 43 HA SER 43 7.221 -0.401 -7.569
306 HB2 SER 43 HB2 SER 43 6.003 -0.272 -5.405
307 HB3 SER 43 HB3 SER 43 4.744 0.672 -6.202
308 HG SER 43 HG SER 43 5.350 -2.042 -6.418
309 H VAL 44 H VAL 44 5.290 2.535 -7.978
310 HA VAL 44 HA VAL 44 4.064 3.330 -9.729
311 HB VAL 44 HB VAL 44 5.839 1.597 -11.450
312 HG11 VAL 44 HG11 VAL 44 5.176 2.832 -13.238
313 HG12 VAL 44 HG12 VAL 44 4.902 4.284 -12.275
314 HG13 VAL 44 HG13 VAL 44 3.714 2.981 -12.262
315 HG21 VAL 44 HG21 VAL 44 7.495 3.252 -11.430
316 HG22 VAL 44 HG22 VAL 44 7.019 3.094 -9.739
317 HG23 VAL 44 HG23 VAL 44 6.420 4.445 -10.701
318 H THR 45 H THR 45 2.653 1.527 -8.517
319 HA THR 45 HA THR 45 0.951 0.024 -8.668
320 HB THR 45 HB THR 45 0.910 0.786 -11.582
321 HG1 THR 45 HG1 THR 45 -0.391 2.527 -10.918
322 HG21 THR 45 HG21 THR 45 -1.638 0.747 -10.968
323 HG22 THR 45 HG22 THR 45 -1.092 -0.372 -9.720
324 HG23 THR 45 HG23 THR 45 -0.786 -0.730 -11.420
325 H ASN 46 H ASN 46 0.133 -1.962 -9.934
326 HA ASN 46 HA ASN 46 2.272 -3.376 -11.291
327 HB2 ASN 46 HB2 ASN 46 1.470 -3.886 -8.588
328 HB3 ASN 46 HB3 ASN 46 1.046 -5.275 -9.583
329 HD21 ASN 46 HD21 ASN 46 3.290 -4.315 -7.581
330 HD22 ASN 46 HD22 ASN 46 4.708 -5.000 -8.290
331 H SER 47 H SER 47 1.108 -3.318 -13.210
332 HA SER 47 HA SER 47 -0.280 -4.211 -14.786
333 HB2 SER 47 HB2 SER 47 -0.076 -6.313 -13.310
334 HB3 SER 47 HB3 SER 47 -1.650 -5.854 -12.660
335 HG SER 47 HG SER 47 -2.498 -5.993 -14.751
336 H VAL 48 H VAL 48 -2.214 -3.579 -15.656
337 HA VAL 48 HA VAL 48 -4.611 -3.053 -14.502
338 HB VAL 48 HB VAL 48 -4.413 -0.437 -14.554
339 HG11 VAL 48 HG11 VAL 48 -4.689 -2.361 -12.573
340 HG12 VAL 48 HG12 VAL 48 -5.056 -0.641 -12.441
341 HG13 VAL 48 HG13 VAL 48 -3.475 -1.245 -11.947
342 HG21 VAL 48 HG21 VAL 48 -1.844 -0.812 -14.965
343 HG22 VAL 48 HG22 VAL 48 -1.807 -0.956 -13.208
344 HG23 VAL 48 HG23 VAL 48 -2.414 0.520 -13.959
345 H LYS 49 H LYS 49 -5.444 -3.528 -16.387
346 HA LYS 49 HA LYS 49 -4.784 -3.153 -18.903
347 HB2 LYS 49 HB2 LYS 49 -7.399 -3.196 -17.541
348 HB3 LYS 49 HB3 LYS 49 -7.408 -2.606 -19.197
349 HG2 LYS 49 HG2 LYS 49 -7.589 -4.744 -19.784
350 HG3 LYS 49 HG3 LYS 49 -5.874 -4.867 -19.386
351 HD2 LYS 49 HD2 LYS 49 -6.306 -5.792 -17.286
352 HD3 LYS 49 HD3 LYS 49 -7.979 -5.232 -17.281
353 HE2 LYS 49 HE2 LYS 49 -7.554 -6.948 -19.533
354 HE3 LYS 49 HE3 LYS 49 -6.987 -7.751 -18.071
355 HZ1 LYS 49 HZ1 LYS 49 -9.154 -8.321 -17.953
356 HZ2 LYS 49 HZ2 LYS 49 -9.689 -6.983 -18.838
357 HZ3 LYS 49 HZ3 LYS 49 -9.297 -6.811 -17.202
358 H CY1 50 HN CY1 50 -6.610 -0.649 -17.087
359 HA CY1 50 HA CY1 50 -6.408 1.317 -19.261
360 HB2 CY1 50 HB2 CY1 50 -8.496 1.248 -18.184
361 HB3 CY1 50 HB3 CY1 50 -7.742 2.691 -17.488
362 HD2 CY1 50 HD2 CY1 50 -9.963 0.022 -16.841
363 HD3 CY1 50 HD3 CY1 50 -10.274 1.404 -15.733
364 HE CY1 50 HE CY1 50 -9.641 -0.148 -13.870
365 HM1 CY1 50 HM1 CY1 50 -11.206 -2.108 -13.030
366 HM2 CY1 50 HM2 CY1 50 -9.483 -2.513 -13.186
367 HM3 CY1 50 HM3 CY1 50 -10.714 -3.544 -13.949
368 HN1 NH2 51 HN1 NH2 51 -3.862 0.574 -17.484
369 HN2 NH2 51 HN2 NH2 51 -3.306 2.205 -17.144
Start of MODEL 7
1 H1 LEU 1 H1 LEU 1 -3.763 1.505 15.056
2 H2 LEU 1 H2 LEU 1 -3.320 3.092 15.535
3 H3 LEU 1 H3 LEU 1 -4.699 2.339 16.226
4 HA LEU 1 HA LEU 1 -1.862 1.863 16.699
5 HB2 LEU 1 HB2 LEU 1 -4.357 2.168 18.372
6 HB3 LEU 1 HB3 LEU 1 -2.792 1.751 19.043
7 HG LEU 1 HG LEU 1 -2.208 4.022 17.620
8 HD11 LEU 1 HD11 LEU 1 -4.876 4.487 18.938
9 HD12 LEU 1 HD12 LEU 1 -4.642 4.334 17.197
10 HD13 LEU 1 HD13 LEU 1 -3.887 5.665 18.074
11 HD21 LEU 1 HD21 LEU 1 -2.745 4.996 20.111
12 HD22 LEU 1 HD22 LEU 1 -1.273 4.140 19.653
13 HD23 LEU 1 HD23 LEU 1 -2.597 3.265 20.421
14 H GLN 2 H GLN 2 -4.977 0.252 16.495
15 HA GLN 2 HA GLN 2 -4.026 -2.199 17.659
16 HB2 GLN 2 HB2 GLN 2 -6.574 -1.429 16.243
17 HB3 GLN 2 HB3 GLN 2 -6.257 -3.073 16.780
18 HG2 GLN 2 HG2 GLN 2 -6.385 -0.629 18.531
19 HG3 GLN 2 HG3 GLN 2 -7.620 -1.880 18.390
20 HE21 GLN 2 HE21 GLN 2 -7.208 -3.939 19.245
21 HE22 GLN 2 HE22 GLN 2 -5.990 -4.193 20.443
22 H MET 3 H MET 3 -3.300 -3.998 16.662
23 HA MET 3 HA MET 3 -2.673 -5.443 15.017
24 HB2 MET 3 HB2 MET 3 -4.881 -4.694 13.943
25 HB3 MET 3 HB3 MET 3 -3.882 -3.642 12.950
26 HG2 MET 3 HG2 MET 3 -4.441 -5.736 11.818
27 HG3 MET 3 HG3 MET 3 -2.705 -5.543 12.045
28 HE1 MET 3 HE1 MET 3 -5.855 -6.662 13.571
29 HE2 MET 3 HE2 MET 3 -5.225 -7.299 15.089
30 HE3 MET 3 HE3 MET 3 -5.653 -8.401 13.780
31 H ALA 4 H ALA 4 -1.667 -2.345 15.344
32 HA ALA 4 HA ALA 4 0.049 -2.006 13.125
33 HB1 ALA 4 HB1 ALA 4 0.871 -0.795 15.671
34 HB2 ALA 4 HB2 ALA 4 -0.779 -0.443 15.164
35 HB3 ALA 4 HB3 ALA 4 0.572 -0.050 14.102
36 H GLY 5 H GLY 5 0.650 -4.474 13.401
37 HA2 GLY 5 HA2 GLY 5 3.338 -4.760 13.730
38 HA3 GLY 5 HA3 GLY 5 2.685 -5.064 15.338
39 H GLN 6 H GLN 6 1.271 -5.896 12.194
40 HA GLN 6 HA GLN 6 2.047 -8.519 12.018
41 HB2 GLN 6 HB2 GLN 6 -0.085 -8.065 13.985
42 HB3 GLN 6 HB3 GLN 6 -0.485 -9.281 12.781
43 HG2 GLN 6 HG2 GLN 6 2.169 -9.744 13.715
44 HG3 GLN 6 HG3 GLN 6 1.092 -9.558 15.099
45 HE21 GLN 6 HE21 GLN 6 2.390 -11.752 13.076
46 HE22 GLN 6 HE22 GLN 6 1.192 -12.995 13.164
47 H CYS 7 H CYS 7 1.996 -7.273 10.010
48 HA CYS 7 HA CYS 7 -0.534 -7.759 8.583
49 HB2 CYS 7 HB2 CYS 7 1.046 -5.270 8.741
50 HB3 CYS 7 HB3 CYS 7 0.496 -5.718 7.132
51 H SER 8 H SER 8 -0.343 -8.415 6.417
52 HA SER 8 HA SER 8 1.921 -9.959 5.782
53 HB2 SER 8 HB2 SER 8 -0.233 -8.860 3.956
54 HB3 SER 8 HB3 SER 8 0.927 -10.112 3.511
55 HG SER 8 HG SER 8 0.007 -11.193 5.513
56 H GLN 9 H GLN 9 3.519 -9.600 4.163
57 HA GLN 9 HA GLN 9 4.872 -7.253 4.356
58 HB2 GLN 9 HB2 GLN 9 5.266 -9.641 3.026
59 HB3 GLN 9 HB3 GLN 9 5.239 -8.461 1.725
60 HG2 GLN 9 HG2 GLN 9 6.897 -7.162 3.273
61 HG3 GLN 9 HG3 GLN 9 7.160 -8.757 3.978
62 HE21 GLN 9 HE21 GLN 9 8.254 -6.650 1.725
63 HE22 GLN 9 HE22 GLN 9 9.045 -7.748 0.652
64 H ASN 10 H ASN 10 4.919 -5.340 3.488
65 HA ASN 10 HA ASN 10 4.185 -3.479 2.448
66 HB2 ASN 10 HB2 ASN 10 4.648 -5.460 0.410
67 HB3 ASN 10 HB3 ASN 10 3.324 -4.408 -0.077
68 HD21 ASN 10 HD21 ASN 10 6.464 -4.067 1.549
69 HD22 ASN 10 HD22 ASN 10 6.991 -2.718 0.606
70 H GLU 11 H GLU 11 2.234 -5.034 3.936
71 HA GLU 11 HA GLU 11 -0.162 -4.103 2.505
72 HB2 GLU 11 HB2 GLU 11 0.370 -6.676 3.494
73 HB3 GLU 11 HB3 GLU 11 -0.855 -5.988 4.549
74 HG2 GLU 11 HG2 GLU 11 -2.424 -5.891 2.894
75 HG3 GLU 11 HG3 GLU 11 -1.225 -5.722 1.618
76 H TYR 12 H TYR 12 -1.755 -2.934 3.528
77 HA TYR 12 HA TYR 12 -0.897 -1.934 6.198
78 HB2 TYR 12 HB2 TYR 12 -1.720 0.240 5.662
79 HB3 TYR 12 HB3 TYR 12 -0.682 -0.280 4.341
80 HD1 TYR 12 HD1 TYR 12 -4.130 0.453 5.352
81 HD2 TYR 12 HD2 TYR 12 -1.599 -0.713 2.137
82 HE1 TYR 12 HE1 TYR 12 -5.940 0.937 3.758
83 HE2 TYR 12 HE2 TYR 12 -3.402 -0.234 0.537
84 HH TYR 12 HH TYR 12 -6.144 1.526 1.330
85 H PHE 13 H PHE 13 -2.194 -2.254 7.829
86 HA PHE 13 HA PHE 13 -4.804 -3.414 7.486
87 HB2 PHE 13 HB2 PHE 13 -3.181 -3.988 9.333
88 HB3 PHE 13 HB3 PHE 13 -3.548 -2.432 10.051
89 HD1 PHE 13 HD1 PHE 13 -5.220 -5.543 8.861
90 HD2 PHE 13 HD2 PHE 13 -5.241 -2.283 11.598
91 HE1 PHE 13 HE1 PHE 13 -7.116 -6.561 10.060
92 HE2 PHE 13 HE2 PHE 13 -7.137 -3.295 12.794
93 HZ PHE 13 HZ PHE 13 -8.077 -5.437 12.024
94 H ASP 14 H ASP 14 -6.214 -1.936 6.611
95 HA ASP 14 HA ASP 14 -6.432 0.762 7.505
96 HB2 ASP 14 HB2 ASP 14 -7.379 -0.543 5.343
97 HB3 ASP 14 HB3 ASP 14 -8.821 -0.566 6.353
98 H SER 15 H SER 15 -6.712 0.970 9.668
99 HA SER 15 HA SER 15 -8.076 -0.639 11.403
100 HB2 SER 15 HB2 SER 15 -8.441 1.446 12.791
101 HB3 SER 15 HB3 SER 15 -6.778 1.190 12.263
102 HG SER 15 HG SER 15 -8.609 2.814 10.841
103 H LEU 16 H LEU 16 -9.393 1.437 8.995
104 HA LEU 16 HA LEU 16 -12.045 1.514 10.130
105 HB2 LEU 16 HB2 LEU 16 -11.243 3.367 8.766
106 HB3 LEU 16 HB3 LEU 16 -11.005 2.289 7.404
107 HG LEU 16 HG LEU 16 -13.742 2.462 8.552
108 HD11 LEU 16 HD11 LEU 16 -13.139 4.790 8.493
109 HD12 LEU 16 HD12 LEU 16 -14.216 4.438 7.142
110 HD13 LEU 16 HD13 LEU 16 -12.484 4.618 6.864
111 HD21 LEU 16 HD21 LEU 16 -12.443 1.892 5.934
112 HD22 LEU 16 HD22 LEU 16 -14.098 2.500 5.949
113 HD23 LEU 16 HD23 LEU 16 -13.702 1.001 6.789
114 H LEU 17 H LEU 17 -10.246 -0.452 7.894
115 HA LEU 17 HA LEU 17 -12.660 -1.912 7.101
116 HB2 LEU 17 HB2 LEU 17 -9.836 -2.148 6.079
117 HB3 LEU 17 HB3 LEU 17 -11.255 -2.923 5.396
118 HG LEU 17 HG LEU 17 -11.016 0.071 5.559
119 HD11 LEU 17 HD11 LEU 17 -9.822 0.210 3.636
120 HD12 LEU 17 HD12 LEU 17 -10.422 -1.329 3.018
121 HD13 LEU 17 HD13 LEU 17 -9.159 -1.306 4.248
122 HD21 LEU 17 HD21 LEU 17 -13.205 -0.399 5.052
123 HD22 LEU 17 HD22 LEU 17 -12.804 -1.896 4.211
124 HD23 LEU 17 HD23 LEU 17 -12.503 -0.341 3.434
125 H HIS 18 H HIS 18 -9.830 -2.204 9.097
126 HA HIS 18 HA HIS 18 -9.116 -3.848 10.498
127 HB2 HIS 18 HB2 HIS 18 -11.827 -5.020 9.901
128 HB3 HIS 18 HB3 HIS 18 -10.721 -5.642 11.115
129 HD1 HIS 18 HD1 HIS 18 -10.291 -4.089 13.212
130 HD2 HIS 18 HD2 HIS 18 -13.343 -2.851 10.679
131 HE1 HIS 18 HE1 HIS 18 -11.603 -2.390 14.522
132 HE2 HIS 18 HE2 HIS 18 -13.494 -1.716 12.999
133 H ALA 19 H ALA 19 -8.054 -3.968 8.105
134 HA ALA 19 HA ALA 19 -7.342 -6.682 7.740
135 HB1 ALA 19 HB1 ALA 19 -9.563 -5.836 6.247
136 HB2 ALA 19 HB2 ALA 19 -8.606 -7.300 6.015
137 HB3 ALA 19 HB3 ALA 19 -8.188 -5.823 5.135
138 H CYS 20 H CYS 20 -5.463 -6.834 6.692
139 HA CYS 20 HA CYS 20 -4.080 -4.376 6.131
140 HB2 CYS 20 HB2 CYS 20 -2.990 -7.174 5.744
141 HB3 CYS 20 HB3 CYS 20 -2.066 -5.684 5.846
142 H ILE 21 H ILE 21 -4.424 -3.423 4.287
143 HA ILE 21 HA ILE 21 -5.016 -4.951 1.858
144 HB ILE 21 HB ILE 21 -5.388 -2.074 2.653
145 HG12 ILE 21 HG12 ILE 21 -7.735 -2.491 2.242
146 HG13 ILE 21 HG13 ILE 21 -7.381 -4.073 1.557
147 HG21 ILE 21 HG21 ILE 21 -6.193 -1.515 0.455
148 HG22 ILE 21 HG22 ILE 21 -5.908 -3.153 -0.112
149 HG23 ILE 21 HG23 ILE 21 -4.545 -2.123 0.321
150 HD11 ILE 21 HD11 ILE 21 -6.550 -3.518 4.340
151 HD12 ILE 21 HD12 ILE 21 -7.059 -5.030 3.597
152 HD13 ILE 21 HD13 ILE 21 -8.255 -3.801 4.010
153 HA PRO 22 HA PRO 22 -1.016 -3.925 0.291
154 HB2 PRO 22 HB2 PRO 22 -1.790 -4.382 -2.437
155 HB3 PRO 22 HB3 PRO 22 -0.922 -5.473 -1.357
156 HG2 PRO 22 HG2 PRO 22 -3.478 -5.909 -2.293
157 HG3 PRO 22 HG3 PRO 22 -2.809 -6.629 -0.818
158 HD2 PRO 22 HD2 PRO 22 -4.610 -4.249 -1.118
159 HD3 PRO 22 HD3 PRO 22 -4.639 -5.529 0.117
160 H CYS 23 H CYS 23 -0.041 -2.085 -0.156
161 HA CYS 23 HA CYS 23 -1.436 0.261 -0.830
162 HB2 CYS 23 HB2 CYS 23 1.523 -0.028 -1.313
163 HB3 CYS 23 HB3 CYS 23 0.624 1.386 -0.780
164 H GLN 24 H GLN 24 0.130 -2.142 -2.796
165 HA GLN 24 HA GLN 24 0.441 -0.702 -5.172
166 HB2 GLN 24 HB2 GLN 24 -0.396 -3.527 -5.447
167 HB3 GLN 24 HB3 GLN 24 0.960 -2.683 -6.176
168 HG2 GLN 24 HG2 GLN 24 2.150 -2.806 -4.017
169 HG3 GLN 24 HG3 GLN 24 0.802 -3.737 -3.363
170 HE21 GLN 24 HE21 GLN 24 3.590 -3.775 -5.383
171 HE22 GLN 24 HE22 GLN 24 3.600 -5.472 -5.707
172 H LEU 25 H LEU 25 -2.251 -2.620 -4.007
173 HA LEU 25 HA LEU 25 -3.928 -2.331 -6.216
174 HB2 LEU 25 HB2 LEU 25 -4.052 -3.722 -3.906
175 HB3 LEU 25 HB3 LEU 25 -5.218 -2.457 -3.566
176 HG LEU 25 HG LEU 25 -5.765 -3.467 -6.174
177 HD11 LEU 25 HD11 LEU 25 -5.233 -5.556 -4.092
178 HD12 LEU 25 HD12 LEU 25 -4.726 -5.516 -5.781
179 HD13 LEU 25 HD13 LEU 25 -6.417 -5.811 -5.375
180 HD21 LEU 25 HD21 LEU 25 -7.795 -4.360 -4.645
181 HD22 LEU 25 HD22 LEU 25 -7.638 -2.690 -5.191
182 HD23 LEU 25 HD23 LEU 25 -7.105 -3.143 -3.571
183 H ARG 26 H ARG 26 -3.039 -0.033 -3.840
184 HA ARG 26 HA ARG 26 -5.232 1.700 -4.708
185 HB2 ARG 26 HB2 ARG 26 -3.763 1.996 -2.112
186 HB3 ARG 26 HB3 ARG 26 -5.273 2.764 -2.587
187 HG2 ARG 26 HG2 ARG 26 -5.649 -0.039 -2.752
188 HG3 ARG 26 HG3 ARG 26 -4.880 0.315 -1.202
189 HD2 ARG 26 HD2 ARG 26 -7.236 0.403 -0.881
190 HD3 ARG 26 HD3 ARG 26 -6.619 2.050 -0.815
191 HE ARG 26 HE ARG 26 -7.553 1.232 -3.425
192 HH11 ARG 26 HH11 ARG 26 -8.437 2.681 -0.374
193 HH12 ARG 26 HH12 ARG 26 -9.807 3.514 -1.024
194 HH21 ARG 26 HH21 ARG 26 -9.356 2.330 -4.281
195 HH22 ARG 26 HH22 ARG 26 -10.331 3.315 -3.242
196 H CYS 27 H CYS 27 -2.064 1.223 -5.053
197 HA CYS 27 HA CYS 27 -0.918 3.792 -4.782
198 HB2 CYS 27 HB2 CYS 27 0.422 1.705 -5.038
199 HB3 CYS 27 HB3 CYS 27 -0.081 1.619 -6.724
200 H SER 28 H SER 28 -0.281 5.252 -6.539
201 HA SER 28 HA SER 28 -0.867 6.726 -8.136
202 HB2 SER 28 HB2 SER 28 0.026 4.509 -9.232
203 HB3 SER 28 HB3 SER 28 -1.598 4.463 -9.921
204 HG SER 28 HG SER 28 0.141 6.704 -10.075
205 H SER 29 H SER 29 -3.041 5.873 -6.363
206 HA SER 29 HA SER 29 -5.173 7.151 -7.734
207 HB2 SER 29 HB2 SER 29 -5.444 4.197 -7.193
208 HB3 SER 29 HB3 SER 29 -6.799 5.277 -7.533
209 HG SER 29 HG SER 29 -5.661 4.033 -9.340
210 H ASN 30 H ASN 30 -6.588 8.007 -6.346
211 HA ASN 30 HA ASN 30 -7.538 8.681 -4.393
212 HB2 ASN 30 HB2 ASN 30 -7.156 5.798 -4.059
213 HB3 ASN 30 HB3 ASN 30 -7.223 6.674 -2.534
214 HD21 ASN 30 HD21 ASN 30 -9.070 8.097 -2.203
215 HD22 ASN 30 HD22 ASN 30 -10.594 7.658 -2.889
216 H THR 31 H THR 31 -4.357 8.331 -4.799
217 HA THR 31 HA THR 31 -2.450 8.587 -3.510
218 HB THR 31 HB THR 31 -3.087 10.765 -4.417
219 HG1 THR 31 HG1 THR 31 -2.197 11.314 -1.815
220 HG21 THR 31 HG21 THR 31 -4.993 11.655 -3.674
221 HG22 THR 31 HG22 THR 31 -3.994 12.291 -2.366
222 HG23 THR 31 HG23 THR 31 -4.909 10.803 -2.132
223 HA PRO 32 HA PRO 32 -3.911 7.986 0.817
224 HB2 PRO 32 HB2 PRO 32 -4.870 5.507 0.923
225 HB3 PRO 32 HB3 PRO 32 -5.815 6.808 0.188
226 HG2 PRO 32 HG2 PRO 32 -4.479 4.522 -1.097
227 HG3 PRO 32 HG3 PRO 32 -5.771 5.566 -1.720
228 HD2 PRO 32 HD2 PRO 32 -2.839 5.801 -2.147
229 HD3 PRO 32 HD3 PRO 32 -4.150 6.619 -3.021
230 HA PRO 33 HA PRO 33 -0.372 4.805 1.047
231 HB2 PRO 33 HB2 PRO 33 1.710 5.382 -0.462
232 HB3 PRO 33 HB3 PRO 33 0.262 4.684 -1.206
233 HG2 PRO 33 HG2 PRO 33 1.193 7.528 -1.177
234 HG3 PRO 33 HG3 PRO 33 0.462 6.604 -2.501
235 HD2 PRO 33 HD2 PRO 33 -0.894 8.356 -0.770
236 HD3 PRO 33 HD3 PRO 33 -1.631 7.153 -1.835
237 H LEU 34 H LEU 34 -0.580 6.172 3.057
238 HA LEU 34 HA LEU 34 1.375 8.233 3.404
239 HB2 LEU 34 HB2 LEU 34 0.021 6.815 5.692
240 HB3 LEU 34 HB3 LEU 34 0.654 8.444 5.642
241 HG LEU 34 HG LEU 34 -1.822 7.432 4.253
242 HD11 LEU 34 HD11 LEU 34 -1.630 9.613 6.302
243 HD12 LEU 34 HD12 LEU 34 -1.793 7.921 6.770
244 HD13 LEU 34 HD13 LEU 34 -3.043 8.689 5.791
245 HD21 LEU 34 HD21 LEU 34 -0.325 9.219 3.073
246 HD22 LEU 34 HD22 LEU 34 -0.992 10.299 4.297
247 HD23 LEU 34 HD23 LEU 34 -2.069 9.456 3.184
248 H THR 35 H THR 35 1.194 4.851 4.605
249 HA THR 35 HA THR 35 3.964 5.062 5.427
250 HB THR 35 HB THR 35 2.417 3.878 6.909
251 HG1 THR 35 HG1 THR 35 4.051 2.664 7.344
252 HG21 THR 35 HG21 THR 35 0.791 2.627 6.091
253 HG22 THR 35 HG22 THR 35 2.006 1.425 5.655
254 HG23 THR 35 HG23 THR 35 1.511 2.644 4.481
255 H CYS 36 H CYS 36 2.519 4.773 2.553
256 HA CYS 36 HA CYS 36 4.593 2.957 1.561
257 HB2 CYS 36 HB2 CYS 36 1.674 2.825 1.166
258 HB3 CYS 36 HB3 CYS 36 2.652 2.558 -0.274
259 H GLN 37 H GLN 37 3.552 6.082 1.492
260 HA GLN 37 HA GLN 37 3.376 6.869 -1.131
261 HB2 GLN 37 HB2 GLN 37 3.721 8.149 1.308
262 HB3 GLN 37 HB3 GLN 37 5.136 8.636 0.388
263 HG2 GLN 37 HG2 GLN 37 3.405 9.165 -1.479
264 HG3 GLN 37 HG3 GLN 37 2.255 9.181 -0.143
265 HE21 GLN 37 HE21 GLN 37 2.238 10.871 1.259
266 HE22 GLN 37 HE22 GLN 37 3.237 12.272 1.091
267 H ARG 38 H ARG 38 6.160 5.803 0.603
268 HA ARG 38 HA ARG 38 8.068 6.611 -1.387
269 HB2 ARG 38 HB2 ARG 38 9.719 5.548 -0.028
270 HB3 ARG 38 HB3 ARG 38 8.607 6.371 1.054
271 HG2 ARG 38 HG2 ARG 38 8.355 3.444 0.430
272 HG3 ARG 38 HG3 ARG 38 9.385 4.049 1.725
273 HD2 ARG 38 HD2 ARG 38 6.915 5.335 2.033
274 HD3 ARG 38 HD3 ARG 38 6.536 3.655 1.681
275 HE ARG 38 HE ARG 38 7.793 4.703 4.062
276 HH11 ARG 38 HH11 ARG 38 7.334 1.857 2.095
277 HH12 ARG 38 HH12 ARG 38 7.521 0.759 3.420
278 HH21 ARG 38 HH21 ARG 38 8.021 3.263 5.809
279 HH22 ARG 38 HH22 ARG 38 7.907 1.558 5.531
280 H TYR 39 H TYR 39 6.378 3.646 -0.514
281 HA TYR 39 HA TYR 39 7.758 2.051 -2.437
282 HB2 TYR 39 HB2 TYR 39 6.792 1.124 -0.329
283 HB3 TYR 39 HB3 TYR 39 5.182 1.434 -0.977
284 HD1 TYR 39 HD1 TYR 39 4.551 0.277 -3.171
285 HD2 TYR 39 HD2 TYR 39 7.901 -0.875 -0.816
286 HE1 TYR 39 HE1 TYR 39 4.586 -1.906 -4.301
287 HE2 TYR 39 HE2 TYR 39 7.949 -3.061 -1.942
288 HH TYR 39 HH TYR 39 5.478 -3.969 -4.312
289 H CYS 40 H CYS 40 4.630 3.657 -2.256
290 HA CYS 40 HA CYS 40 3.571 2.594 -4.640
291 HB2 CYS 40 HB2 CYS 40 2.076 3.657 -3.076
292 HB3 CYS 40 HB3 CYS 40 2.961 5.176 -3.178
293 H ASN 41 H ASN 41 5.551 5.450 -3.994
294 HA ASN 41 HA ASN 41 5.484 6.277 -6.718
295 HB2 ASN 41 HB2 ASN 41 6.436 8.192 -5.989
296 HB3 ASN 41 HB3 ASN 41 6.120 7.560 -4.377
297 HD21 ASN 41 HD21 ASN 41 7.968 5.724 -3.947
298 HD22 ASN 41 HD22 ASN 41 9.563 6.382 -4.060
299 H ALA 42 H ALA 42 7.103 3.904 -5.022
300 HA ALA 42 HA ALA 42 9.149 3.694 -7.125
301 HB1 ALA 42 HB1 ALA 42 9.576 2.211 -4.605
302 HB2 ALA 42 HB2 ALA 42 9.708 3.967 -4.510
303 HB3 ALA 42 HB3 ALA 42 10.731 3.065 -5.628
304 H SER 43 H SER 43 6.379 2.725 -7.079
305 HA SER 43 HA SER 43 6.964 -0.041 -7.759
306 HB2 SER 43 HB2 SER 43 6.063 0.012 -5.421
307 HB3 SER 43 HB3 SER 43 4.569 0.685 -6.071
308 HG SER 43 HG SER 43 5.714 -1.804 -6.819
309 H VAL 44 H VAL 44 5.003 2.812 -8.164
310 HA VAL 44 HA VAL 44 4.056 1.734 -10.692
311 HB VAL 44 HB VAL 44 2.156 3.172 -8.854
312 HG11 VAL 44 HG11 VAL 44 1.938 3.141 -11.437
313 HG12 VAL 44 HG12 VAL 44 0.520 2.814 -10.442
314 HG13 VAL 44 HG13 VAL 44 1.394 1.480 -11.193
315 HG21 VAL 44 HG21 VAL 44 2.148 0.219 -9.433
316 HG22 VAL 44 HG22 VAL 44 1.123 1.102 -8.304
317 HG23 VAL 44 HG23 VAL 44 2.845 0.922 -7.974
318 H THR 45 H THR 45 6.025 3.340 -10.818
319 HA THR 45 HA THR 45 6.281 5.855 -10.554
320 HB THR 45 HB THR 45 6.450 5.292 -13.419
321 HG1 THR 45 HG1 THR 45 8.311 3.788 -12.717
322 HG21 THR 45 HG21 THR 45 8.825 5.636 -11.688
323 HG22 THR 45 HG22 THR 45 7.739 7.010 -11.892
324 HG23 THR 45 HG23 THR 45 8.493 6.266 -13.302
325 H ASN 46 H ASN 46 5.670 7.863 -11.493
326 HA ASN 46 HA ASN 46 3.409 7.976 -13.261
327 HB2 ASN 46 HB2 ASN 46 2.002 9.302 -11.726
328 HB3 ASN 46 HB3 ASN 46 2.288 7.680 -11.105
329 HD21 ASN 46 HD21 ASN 46 2.026 10.745 -10.182
330 HD22 ASN 46 HD22 ASN 46 3.081 10.762 -8.813
331 H SER 47 H SER 47 2.661 10.542 -13.123
332 HA SER 47 HA SER 47 3.239 12.681 -13.651
333 HB2 SER 47 HB2 SER 47 5.935 12.207 -12.383
334 HB3 SER 47 HB3 SER 47 5.037 13.720 -12.514
335 HG SER 47 HG SER 47 5.019 12.027 -10.514
336 H VAL 48 H VAL 48 3.261 11.572 -15.818
337 HA VAL 48 HA VAL 48 5.038 12.632 -17.545
338 HB VAL 48 HB VAL 48 6.204 10.335 -18.176
339 HG11 VAL 48 HG11 VAL 48 7.602 12.007 -16.145
340 HG12 VAL 48 HG12 VAL 48 7.122 12.703 -17.688
341 HG13 VAL 48 HG13 VAL 48 8.209 11.317 -17.646
342 HG21 VAL 48 HG21 VAL 48 5.244 9.670 -15.694
343 HG22 VAL 48 HG22 VAL 48 6.915 10.124 -15.356
344 HG23 VAL 48 HG23 VAL 48 6.564 8.858 -16.534
345 H LYS 49 H LYS 49 3.423 12.725 -18.909
346 HA LYS 49 HA LYS 49 1.892 12.137 -20.492
347 HB2 LYS 49 HB2 LYS 49 3.800 9.850 -20.476
348 HB3 LYS 49 HB3 LYS 49 2.277 9.623 -21.324
349 HG2 LYS 49 HG2 LYS 49 4.231 11.855 -21.846
350 HG3 LYS 49 HG3 LYS 49 4.094 10.375 -22.798
351 HD2 LYS 49 HD2 LYS 49 1.506 11.583 -22.537
352 HD3 LYS 49 HD3 LYS 49 2.663 12.788 -23.106
353 HE2 LYS 49 HE2 LYS 49 2.062 11.892 -25.111
354 HE3 LYS 49 HE3 LYS 49 3.388 10.804 -24.703
355 HZ1 LYS 49 HZ1 LYS 49 1.192 9.679 -23.527
356 HZ2 LYS 49 HZ2 LYS 49 1.926 9.172 -24.963
357 HZ3 LYS 49 HZ3 LYS 49 0.611 10.231 -25.017
358 H CY1 50 H CY1 50 0.217 10.277 -21.036
359 HA CY1 50 HA CY1 50 -0.764 9.117 -18.513
360 HB2 CY1 50 HB2 CY1 50 -1.921 11.310 -19.456
361 HB3 CY1 50 HB3 CY1 50 -2.739 10.155 -20.499
362 HD2 CY1 50 HD2 CY1 50 -5.375 9.624 -18.876
363 HD3 CY1 50 HD3 CY1 50 -4.244 8.568 -20.012
364 HE CY1 50 HE CY1 50 -4.213 7.385 -17.607
365 HM1 CY1 50 HM1 CY1 50 -5.259 5.542 -17.112
366 HM2 CY1 50 HM2 CY1 50 -7.050 5.630 -17.055
367 HM3 CY1 50 HM3 CY1 50 -6.076 6.366 -15.795
368 HN1 NH2 51 HN1 NH2 51 -1.493 9.142 -22.011
369 HN2 NH2 51 HN2 NH2 51 -1.676 7.433 -22.150
Start of MODEL 8
1 H1 LEU 1 H1 LEU 1 -1.000 -3.992 19.015
2 H2 LEU 1 H2 LEU 1 -0.433 -3.219 17.590
3 H3 LEU 1 H3 LEU 1 -1.420 -4.618 17.477
4 HA LEU 1 HA LEU 1 -3.116 -3.270 18.749
5 HB2 LEU 1 HB2 LEU 1 -1.515 -1.037 17.509
6 HB3 LEU 1 HB3 LEU 1 -2.918 -0.899 18.548
7 HG LEU 1 HG LEU 1 -0.665 -2.291 19.804
8 HD11 LEU 1 HD11 LEU 1 -0.359 0.506 18.774
9 HD12 LEU 1 HD12 LEU 1 0.774 -0.842 18.678
10 HD13 LEU 1 HD13 LEU 1 0.482 -0.044 20.224
11 HD21 LEU 1 HD21 LEU 1 -1.759 -1.591 21.603
12 HD22 LEU 1 HD22 LEU 1 -2.946 -0.824 20.550
13 HD23 LEU 1 HD23 LEU 1 -1.551 0.092 21.120
14 H GLN 2 H GLN 2 -1.590 -1.907 15.830
15 HA GLN 2 HA GLN 2 -3.590 -3.184 14.148
16 HB2 GLN 2 HB2 GLN 2 -3.290 -0.190 14.400
17 HB3 GLN 2 HB3 GLN 2 -4.067 -0.961 13.024
18 HG2 GLN 2 HG2 GLN 2 -4.996 -1.563 15.796
19 HG3 GLN 2 HG3 GLN 2 -5.498 -0.077 14.992
20 HE21 GLN 2 HE21 GLN 2 -7.483 -1.630 15.642
21 HE22 GLN 2 HE22 GLN 2 -8.115 -2.504 14.291
22 H MET 3 H MET 3 -2.718 -3.846 12.301
23 HA MET 3 HA MET 3 -1.346 -3.955 10.451
24 HB2 MET 3 HB2 MET 3 -1.296 -1.542 10.247
25 HB3 MET 3 HB3 MET 3 -0.126 -1.419 11.548
26 HG2 MET 3 HG2 MET 3 0.645 -3.028 9.172
27 HG3 MET 3 HG3 MET 3 0.567 -1.276 8.996
28 HE1 MET 3 HE1 MET 3 3.190 0.263 10.241
29 HE2 MET 3 HE2 MET 3 2.500 0.004 11.843
30 HE3 MET 3 HE3 MET 3 1.441 0.282 10.461
31 H ALA 4 H ALA 4 -0.386 -4.091 13.642
32 HA ALA 4 HA ALA 4 2.060 -5.547 12.877
33 HB1 ALA 4 HB1 ALA 4 1.978 -4.424 15.592
34 HB2 ALA 4 HB2 ALA 4 2.073 -3.239 14.289
35 HB3 ALA 4 HB3 ALA 4 3.302 -4.497 14.430
36 H GLY 5 H GLY 5 0.839 -7.486 12.807
37 HA2 GLY 5 HA2 GLY 5 0.862 -8.998 15.151
38 HA3 GLY 5 HA3 GLY 5 -0.780 -8.402 14.936
39 H GLN 6 H GLN 6 -0.422 -8.511 11.931
40 HA GLN 6 HA GLN 6 0.214 -11.005 11.017
41 HB2 GLN 6 HB2 GLN 6 -2.108 -11.128 12.644
42 HB3 GLN 6 HB3 GLN 6 -2.625 -11.380 10.984
43 HG2 GLN 6 HG2 GLN 6 -0.240 -12.891 11.784
44 HG3 GLN 6 HG3 GLN 6 -1.725 -13.324 12.630
45 HE21 GLN 6 HE21 GLN 6 -3.076 -14.674 11.660
46 HE22 GLN 6 HE22 GLN 6 -3.017 -15.136 9.997
47 H CYS 7 H CYS 7 0.772 -9.206 9.613
48 HA CYS 7 HA CYS 7 -1.345 -8.763 7.614
49 HB2 CYS 7 HB2 CYS 7 0.697 -6.828 8.670
50 HB3 CYS 7 HB3 CYS 7 0.012 -6.619 7.062
51 H SER 8 H SER 8 -0.796 -8.999 5.480
52 HA SER 8 HA SER 8 1.430 -10.631 4.862
53 HB2 SER 8 HB2 SER 8 0.149 -8.982 2.729
54 HB3 SER 8 HB3 SER 8 0.615 -10.682 2.703
55 HG SER 8 HG SER 8 -1.192 -11.195 3.860
56 H GLN 9 H GLN 9 3.159 -10.054 3.363
57 HA GLN 9 HA GLN 9 4.747 -8.058 4.320
58 HB2 GLN 9 HB2 GLN 9 6.071 -8.258 2.237
59 HB3 GLN 9 HB3 GLN 9 5.648 -9.821 2.922
60 HG2 GLN 9 HG2 GLN 9 3.743 -8.786 0.949
61 HG3 GLN 9 HG3 GLN 9 5.352 -9.142 0.321
62 HE21 GLN 9 HE21 GLN 9 2.374 -10.400 0.830
63 HE22 GLN 9 HE22 GLN 9 2.767 -12.081 0.877
64 H ASN 10 H ASN 10 5.153 -5.999 3.953
65 HA ASN 10 HA ASN 10 4.573 -3.837 3.590
66 HB2 ASN 10 HB2 ASN 10 4.423 -3.223 1.133
67 HB3 ASN 10 HB3 ASN 10 5.842 -4.182 1.551
68 HD21 ASN 10 HD21 ASN 10 2.491 -4.578 0.406
69 HD22 ASN 10 HD22 ASN 10 2.844 -5.888 -0.661
70 H GLU 11 H GLU 11 2.370 -5.533 4.345
71 HA GLU 11 HA GLU 11 0.186 -4.227 2.882
72 HB2 GLU 11 HB2 GLU 11 0.430 -6.855 3.737
73 HB3 GLU 11 HB3 GLU 11 -0.700 -6.134 4.872
74 HG2 GLU 11 HG2 GLU 11 -2.206 -5.562 3.151
75 HG3 GLU 11 HG3 GLU 11 -1.010 -5.873 1.900
76 H TYR 12 H TYR 12 -1.463 -3.071 3.900
77 HA TYR 12 HA TYR 12 -0.664 -2.206 6.623
78 HB2 TYR 12 HB2 TYR 12 -1.271 0.031 6.175
79 HB3 TYR 12 HB3 TYR 12 -0.264 -0.494 4.834
80 HD1 TYR 12 HD1 TYR 12 -3.667 0.428 5.860
81 HD2 TYR 12 HD2 TYR 12 -1.155 -0.659 2.606
82 HE1 TYR 12 HE1 TYR 12 -5.391 1.191 4.283
83 HE2 TYR 12 HE2 TYR 12 -2.872 0.095 1.020
84 HH TYR 12 HH TYR 12 -6.063 1.075 2.081
85 H PHE 13 H PHE 13 -1.993 -2.591 8.130
86 HA PHE 13 HA PHE 13 -4.609 -3.658 7.715
87 HB2 PHE 13 HB2 PHE 13 -2.769 -3.951 9.628
88 HB3 PHE 13 HB3 PHE 13 -3.710 -2.681 10.389
89 HD1 PHE 13 HD1 PHE 13 -6.411 -3.667 9.241
90 HD2 PHE 13 HD2 PHE 13 -3.198 -5.606 11.251
91 HE1 PHE 13 HE1 PHE 13 -7.974 -5.356 10.108
92 HE2 PHE 13 HE2 PHE 13 -4.760 -7.298 12.117
93 HZ PHE 13 HZ PHE 13 -7.151 -7.175 11.545
94 H ASP 14 H ASP 14 -5.835 -1.980 6.692
95 HA ASP 14 HA ASP 14 -6.065 0.638 7.789
96 HB2 ASP 14 HB2 ASP 14 -6.857 -0.524 5.442
97 HB3 ASP 14 HB3 ASP 14 -8.389 -0.381 6.297
98 H SER 15 H SER 15 -6.601 0.704 9.912
99 HA SER 15 HA SER 15 -8.260 -0.972 11.313
100 HB2 SER 15 HB2 SER 15 -8.600 0.933 12.896
101 HB3 SER 15 HB3 SER 15 -6.912 0.682 12.455
102 HG SER 15 HG SER 15 -8.578 2.535 11.115
103 H LEU 16 H LEU 16 -9.125 1.429 8.996
104 HA LEU 16 HA LEU 16 -11.888 1.584 9.839
105 HB2 LEU 16 HB2 LEU 16 -10.710 3.492 8.768
106 HB3 LEU 16 HB3 LEU 16 -10.602 2.559 7.288
107 HG LEU 16 HG LEU 16 -13.301 2.998 8.467
108 HD11 LEU 16 HD11 LEU 16 -13.467 5.141 7.231
109 HD12 LEU 16 HD12 LEU 16 -11.722 5.089 6.980
110 HD13 LEU 16 HD13 LEU 16 -12.375 5.209 8.614
111 HD21 LEU 16 HD21 LEU 16 -12.081 2.393 5.840
112 HD22 LEU 16 HD22 LEU 16 -13.552 3.366 5.838
113 HD23 LEU 16 HD23 LEU 16 -13.554 1.766 6.580
114 H LEU 17 H LEU 17 -9.953 -0.271 7.644
115 HA LEU 17 HA LEU 17 -12.316 -1.431 6.363
116 HB2 LEU 17 HB2 LEU 17 -9.384 -1.804 5.753
117 HB3 LEU 17 HB3 LEU 17 -10.722 -2.423 4.800
118 HG LEU 17 HG LEU 17 -10.165 0.509 5.246
119 HD11 LEU 17 HD11 LEU 17 -9.316 -1.395 3.106
120 HD12 LEU 17 HD12 LEU 17 -8.392 -0.129 3.913
121 HD13 LEU 17 HD13 LEU 17 -9.615 0.299 2.717
122 HD21 LEU 17 HD21 LEU 17 -12.440 0.316 4.774
123 HD22 LEU 17 HD22 LEU 17 -12.190 -1.014 3.643
124 HD23 LEU 17 HD23 LEU 17 -11.709 0.624 3.198
125 H HIS 18 H HIS 18 -9.871 -2.148 8.723
126 HA HIS 18 HA HIS 18 -9.461 -3.984 10.010
127 HB2 HIS 18 HB2 HIS 18 -12.225 -4.691 9.043
128 HB3 HIS 18 HB3 HIS 18 -11.341 -5.648 10.222
129 HD1 HIS 18 HD1 HIS 18 -10.315 -3.710 12.193
130 HD2 HIS 18 HD2 HIS 18 -14.036 -3.223 10.406
131 HE1 HIS 18 HE1 HIS 18 -11.616 -2.220 13.745
132 HE2 HIS 18 HE2 HIS 18 -13.839 -1.879 12.607
133 H ALA 19 H ALA 19 -8.222 -3.985 7.679
134 HA ALA 19 HA ALA 19 -7.753 -6.726 7.127
135 HB1 ALA 19 HB1 ALA 19 -9.730 -5.506 5.567
136 HB2 ALA 19 HB2 ALA 19 -8.922 -7.045 5.264
137 HB3 ALA 19 HB3 ALA 19 -8.278 -5.556 4.562
138 H CYS 20 H CYS 20 -5.694 -6.919 6.604
139 HA CYS 20 HA CYS 20 -4.052 -4.634 6.243
140 HB2 CYS 20 HB2 CYS 20 -3.275 -7.489 5.635
141 HB3 CYS 20 HB3 CYS 20 -2.202 -6.151 6.024
142 H ILE 21 H ILE 21 -4.246 -3.460 4.507
143 HA ILE 21 HA ILE 21 -4.826 -4.679 1.923
144 HB ILE 21 HB ILE 21 -4.622 -1.748 2.397
145 HG12 ILE 21 HG12 ILE 21 -5.966 -2.553 4.279
146 HG13 ILE 21 HG13 ILE 21 -6.941 -1.621 3.153
147 HG21 ILE 21 HG21 ILE 21 -6.168 -3.527 0.551
148 HG22 ILE 21 HG22 ILE 21 -5.046 -2.223 0.160
149 HG23 ILE 21 HG23 ILE 21 -6.643 -1.849 0.807
150 HD11 ILE 21 HD11 ILE 21 -6.889 -4.614 3.439
151 HD12 ILE 21 HD12 ILE 21 -7.799 -3.734 2.209
152 HD13 ILE 21 HD13 ILE 21 -8.183 -3.519 3.915
153 HA PRO 22 HA PRO 22 -0.656 -3.760 0.684
154 HB2 PRO 22 HB2 PRO 22 -0.719 -4.658 -1.823
155 HB3 PRO 22 HB3 PRO 22 -0.897 -5.773 -0.462
156 HG2 PRO 22 HG2 PRO 22 -2.970 -4.673 -2.300
157 HG3 PRO 22 HG3 PRO 22 -2.855 -6.285 -1.570
158 HD2 PRO 22 HD2 PRO 22 -4.440 -4.152 -0.633
159 HD3 PRO 22 HD3 PRO 22 -4.040 -5.629 0.267
160 H CYS 23 H CYS 23 0.385 -2.039 -0.105
161 HA CYS 23 HA CYS 23 -0.946 0.252 -0.952
162 HB2 CYS 23 HB2 CYS 23 1.936 -0.300 -1.656
163 HB3 CYS 23 HB3 CYS 23 1.170 1.246 -1.319
164 H GLN 24 H GLN 24 0.581 -2.281 -2.881
165 HA GLN 24 HA GLN 24 0.668 -1.144 -5.356
166 HB2 GLN 24 HB2 GLN 24 1.476 -3.385 -4.960
167 HB3 GLN 24 HB3 GLN 24 -0.159 -3.954 -4.650
168 HG2 GLN 24 HG2 GLN 24 -0.777 -3.652 -6.928
169 HG3 GLN 24 HG3 GLN 24 0.733 -2.817 -7.285
170 HE21 GLN 24 HE21 GLN 24 -0.819 -5.604 -7.748
171 HE22 GLN 24 HE22 GLN 24 0.514 -6.698 -7.861
172 H LEU 25 H LEU 25 -2.125 -2.822 -4.021
173 HA LEU 25 HA LEU 25 -3.828 -2.257 -6.188
174 HB2 LEU 25 HB2 LEU 25 -3.953 -3.790 -3.862
175 HB3 LEU 25 HB3 LEU 25 -5.263 -2.634 -3.709
176 HG LEU 25 HG LEU 25 -6.117 -4.632 -4.728
177 HD11 LEU 25 HD11 LEU 25 -6.773 -3.701 -7.012
178 HD12 LEU 25 HD12 LEU 25 -5.810 -2.291 -6.578
179 HD13 LEU 25 HD13 LEU 25 -7.200 -2.746 -5.593
180 HD21 LEU 25 HD21 LEU 25 -5.048 -5.879 -6.253
181 HD22 LEU 25 HD22 LEU 25 -3.622 -4.953 -5.781
182 HD23 LEU 25 HD23 LEU 25 -4.555 -4.475 -7.199
183 H ARG 26 H ARG 26 -2.655 -0.204 -3.797
184 HA ARG 26 HA ARG 26 -4.918 1.610 -4.187
185 HB2 ARG 26 HB2 ARG 26 -3.032 1.689 -1.850
186 HB3 ARG 26 HB3 ARG 26 -4.537 2.577 -2.036
187 HG2 ARG 26 HG2 ARG 26 -4.449 -0.423 -1.938
188 HG3 ARG 26 HG3 ARG 26 -4.579 0.576 -0.489
189 HD2 ARG 26 HD2 ARG 26 -6.764 0.687 -0.792
190 HD3 ARG 26 HD3 ARG 26 -6.491 1.554 -2.298
191 HE ARG 26 HE ARG 26 -6.212 -0.943 -3.142
192 HH11 ARG 26 HH11 ARG 26 -8.625 0.408 -1.005
193 HH12 ARG 26 HH12 ARG 26 -9.843 -0.734 -1.461
194 HH21 ARG 26 HH21 ARG 26 -7.820 -2.439 -3.742
195 HH22 ARG 26 HH22 ARG 26 -9.387 -2.347 -3.013
196 H CYS 27 H CYS 27 -1.863 1.112 -5.084
197 HA CYS 27 HA CYS 27 -0.789 3.754 -4.917
198 HB2 CYS 27 HB2 CYS 27 0.628 1.691 -5.088
199 HB3 CYS 27 HB3 CYS 27 0.095 1.508 -6.755
200 H SER 28 H SER 28 -0.248 2.843 -8.088
201 HA SER 28 HA SER 28 -0.747 3.890 -10.034
202 HB2 SER 28 HB2 SER 28 -2.490 2.035 -9.493
203 HB3 SER 28 HB3 SER 28 -3.614 3.390 -9.369
204 HG SER 28 HG SER 28 -3.498 2.502 -11.498
205 H SER 29 H SER 29 -0.772 5.681 -7.655
206 HA SER 29 HA SER 29 -1.228 7.864 -7.170
207 HB2 SER 29 HB2 SER 29 -1.234 9.341 -8.956
208 HB3 SER 29 HB3 SER 29 -0.521 7.906 -9.690
209 HG SER 29 HG SER 29 -2.187 7.752 -10.960
210 H ASN 30 H ASN 30 -2.856 9.354 -6.776
211 HA ASN 30 HA ASN 30 -4.950 10.119 -6.304
212 HB2 ASN 30 HB2 ASN 30 -5.736 8.054 -8.358
213 HB3 ASN 30 HB3 ASN 30 -6.926 9.015 -7.491
214 HD21 ASN 30 HD21 ASN 30 -3.942 9.391 -9.365
215 HD22 ASN 30 HD22 ASN 30 -4.433 10.834 -10.177
216 H THR 31 H THR 31 -3.868 8.713 -4.410
217 HA THR 31 HA THR 31 -6.022 7.604 -2.998
218 HB THR 31 HB THR 31 -3.852 5.717 -3.859
219 HG1 THR 31 HG1 THR 31 -5.197 5.462 -5.449
220 HG21 THR 31 HG21 THR 31 -5.658 4.102 -2.753
221 HG22 THR 31 HG22 THR 31 -5.881 5.523 -1.732
222 HG23 THR 31 HG23 THR 31 -4.290 4.770 -1.862
223 HA PRO 32 HA PRO 32 -2.707 10.032 -0.646
224 HB2 PRO 32 HB2 PRO 32 -4.683 9.654 1.473
225 HB3 PRO 32 HB3 PRO 32 -4.045 11.151 0.793
226 HG2 PRO 32 HG2 PRO 32 -6.513 9.726 0.155
227 HG3 PRO 32 HG3 PRO 32 -6.040 11.388 -0.257
228 HD2 PRO 32 HD2 PRO 32 -6.233 9.439 -2.167
229 HD3 PRO 32 HD3 PRO 32 -5.005 10.721 -2.274
230 HA PRO 33 HA PRO 33 -1.593 6.012 1.234
231 HB2 PRO 33 HB2 PRO 33 0.701 5.630 -0.066
232 HB3 PRO 33 HB3 PRO 33 -0.850 5.313 -0.845
233 HG2 PRO 33 HG2 PRO 33 1.062 7.518 -1.293
234 HG3 PRO 33 HG3 PRO 33 -0.149 6.840 -2.389
235 HD2 PRO 33 HD2 PRO 33 -0.344 9.202 -0.759
236 HD3 PRO 33 HD3 PRO 33 -1.554 8.536 -1.872
237 H LEU 34 H LEU 34 -1.393 7.424 3.150
238 HA LEU 34 HA LEU 34 1.043 8.804 3.582
239 HB2 LEU 34 HB2 LEU 34 -0.710 7.803 5.817
240 HB3 LEU 34 HB3 LEU 34 0.340 9.202 5.806
241 HG LEU 34 HG LEU 34 -2.286 8.908 4.349
242 HD11 LEU 34 HD11 LEU 34 -1.807 11.135 6.193
243 HD12 LEU 34 HD12 LEU 34 -1.857 9.542 6.947
244 HD13 LEU 34 HD13 LEU 34 -3.226 10.108 5.991
245 HD21 LEU 34 HD21 LEU 34 -1.011 11.537 4.393
246 HD22 LEU 34 HD22 LEU 34 -1.837 10.697 3.081
247 HD23 LEU 34 HD23 LEU 34 -0.146 10.342 3.428
248 H THR 35 H THR 35 -0.078 5.589 4.666
249 HA THR 35 HA THR 35 2.593 5.034 5.646
250 HB THR 35 HB THR 35 0.174 3.221 5.569
251 HG1 THR 35 HG1 THR 35 1.108 4.968 7.594
252 HG21 THR 35 HG21 THR 35 1.537 1.655 6.323
253 HG22 THR 35 HG22 THR 35 1.779 2.635 7.768
254 HG23 THR 35 HG23 THR 35 2.884 2.790 6.403
255 H CYS 36 H CYS 36 1.263 5.165 2.672
256 HA CYS 36 HA CYS 36 2.883 2.897 1.739
257 HB2 CYS 36 HB2 CYS 36 0.100 3.670 0.970
258 HB3 CYS 36 HB3 CYS 36 1.129 2.828 -0.185
259 H GLN 37 H GLN 37 2.618 6.188 1.680
260 HA GLN 37 HA GLN 37 2.871 6.978 -0.929
261 HB2 GLN 37 HB2 GLN 37 4.383 8.834 -0.022
262 HB3 GLN 37 HB3 GLN 37 2.793 8.697 0.717
263 HG2 GLN 37 HG2 GLN 37 4.007 7.242 2.479
264 HG3 GLN 37 HG3 GLN 37 5.468 7.994 1.841
265 HE21 GLN 37 HE21 GLN 37 4.462 10.522 1.267
266 HE22 GLN 37 HE22 GLN 37 4.077 11.318 2.750
267 H ARG 38 H ARG 38 5.579 6.151 1.182
268 HA ARG 38 HA ARG 38 7.588 6.301 -0.758
269 HB2 ARG 38 HB2 ARG 38 7.404 5.587 1.975
270 HB3 ARG 38 HB3 ARG 38 8.228 4.265 1.161
271 HG2 ARG 38 HG2 ARG 38 9.393 6.584 0.141
272 HG3 ARG 38 HG3 ARG 38 9.204 6.876 1.871
273 HD2 ARG 38 HD2 ARG 38 11.318 5.874 1.610
274 HD3 ARG 38 HD3 ARG 38 10.261 4.620 2.243
275 HE ARG 38 HE ARG 38 11.293 4.798 -0.502
276 HH11 ARG 38 HH11 ARG 38 9.537 3.009 1.938
277 HH12 ARG 38 HH12 ARG 38 9.561 1.531 1.040
278 HH21 ARG 38 HH21 ARG 38 11.316 2.852 -1.674
279 HH22 ARG 38 HH22 ARG 38 10.567 1.439 -1.006
280 H TYR 39 H TYR 39 5.432 3.637 0.084
281 HA TYR 39 HA TYR 39 6.869 1.770 -1.504
282 HB2 TYR 39 HB2 TYR 39 5.353 1.218 0.483
283 HB3 TYR 39 HB3 TYR 39 4.008 1.428 -0.635
284 HD1 TYR 39 HD1 TYR 39 3.968 -0.019 -2.732
285 HD2 TYR 39 HD2 TYR 39 6.524 -0.811 0.575
286 HE1 TYR 39 HE1 TYR 39 4.270 -2.326 -3.528
287 HE2 TYR 39 HE2 TYR 39 6.831 -3.122 -0.209
288 HH TYR 39 HH TYR 39 5.695 -4.758 -1.616
289 H CYS 40 H CYS 40 4.000 3.746 -2.003
290 HA CYS 40 HA CYS 40 3.112 2.650 -4.401
291 HB2 CYS 40 HB2 CYS 40 1.966 4.481 -3.108
292 HB3 CYS 40 HB3 CYS 40 3.146 5.610 -3.762
293 H ASN 41 H ASN 41 5.925 4.587 -3.760
294 HA ASN 41 HA ASN 41 6.471 5.336 -6.424
295 HB2 ASN 41 HB2 ASN 41 8.478 4.931 -4.204
296 HB3 ASN 41 HB3 ASN 41 8.707 5.898 -5.662
297 HD21 ASN 41 HD21 ASN 41 7.173 5.647 -2.595
298 HD22 ASN 41 HD22 ASN 41 6.714 7.309 -2.443
299 H ALA 42 H ALA 42 6.851 2.474 -4.650
300 HA ALA 42 HA ALA 42 8.571 1.286 -6.694
301 HB1 ALA 42 HB1 ALA 42 9.338 0.904 -4.443
302 HB2 ALA 42 HB2 ALA 42 8.772 -0.624 -5.116
303 HB3 ALA 42 HB3 ALA 42 7.761 0.264 -3.976
304 H SER 43 H SER 43 5.712 1.946 -6.982
305 HA SER 43 HA SER 43 4.771 -0.713 -7.774
306 HB2 SER 43 HB2 SER 43 3.500 1.209 -6.027
307 HB3 SER 43 HB3 SER 43 2.494 0.901 -7.441
308 HG SER 43 HG SER 43 2.111 -1.044 -6.735
309 H VAL 44 H VAL 44 4.453 2.781 -8.352
310 HA VAL 44 HA VAL 44 4.776 2.460 -11.159
311 HB VAL 44 HB VAL 44 2.420 3.720 -11.482
312 HG11 VAL 44 HG11 VAL 44 1.545 1.700 -12.407
313 HG12 VAL 44 HG12 VAL 44 2.628 0.717 -11.425
314 HG13 VAL 44 HG13 VAL 44 3.281 1.736 -12.709
315 HG21 VAL 44 HG21 VAL 44 0.777 2.173 -10.166
316 HG22 VAL 44 HG22 VAL 44 1.427 3.627 -9.410
317 HG23 VAL 44 HG23 VAL 44 2.115 2.050 -9.027
318 H THR 45 H THR 45 6.358 3.922 -9.797
319 HA THR 45 HA THR 45 7.133 5.995 -9.228
320 HB THR 45 HB THR 45 7.505 6.090 -11.574
321 HG1 THR 45 HG1 THR 45 7.648 8.099 -10.447
322 HG21 THR 45 HG21 THR 45 5.558 5.488 -12.683
323 HG22 THR 45 HG22 THR 45 5.735 7.200 -13.061
324 HG23 THR 45 HG23 THR 45 4.585 6.687 -11.831
325 H ASN 46 H ASN 46 5.103 8.178 -10.697
326 HA ASN 46 HA ASN 46 3.715 9.774 -9.881
327 HB2 ASN 46 HB2 ASN 46 1.657 9.021 -9.127
328 HB3 ASN 46 HB3 ASN 46 2.283 7.599 -9.950
329 HD21 ASN 46 HD21 ASN 46 1.603 9.068 -6.873
330 HD22 ASN 46 HD22 ASN 46 1.661 7.615 -5.940
331 H SER 47 H SER 47 2.662 10.625 -7.706
332 HA SER 47 HA SER 47 2.954 11.435 -5.591
333 HB2 SER 47 HB2 SER 47 3.780 8.875 -5.285
334 HB3 SER 47 HB3 SER 47 5.279 9.729 -4.916
335 HG SER 47 HG SER 47 4.400 9.933 -3.016
336 H VAL 48 H VAL 48 4.107 13.131 -4.774
337 HA VAL 48 HA VAL 48 5.498 14.866 -4.772
338 HB VAL 48 HB VAL 48 7.870 14.514 -4.774
339 HG11 VAL 48 HG11 VAL 48 6.129 13.576 -2.947
340 HG12 VAL 48 HG12 VAL 48 7.879 13.551 -2.735
341 HG13 VAL 48 HG13 VAL 48 7.038 12.106 -3.296
342 HG21 VAL 48 HG21 VAL 48 7.853 12.777 -6.638
343 HG22 VAL 48 HG22 VAL 48 7.460 11.601 -5.389
344 HG23 VAL 48 HG23 VAL 48 8.970 12.503 -5.306
345 H LYS 49 H LYS 49 4.836 16.054 -6.309
346 HA LYS 49 HA LYS 49 4.972 17.344 -8.195
347 HB2 LYS 49 HB2 LYS 49 7.266 15.619 -9.126
348 HB3 LYS 49 HB3 LYS 49 6.887 17.264 -9.619
349 HG2 LYS 49 HG2 LYS 49 7.346 16.951 -6.746
350 HG3 LYS 49 HG3 LYS 49 8.743 16.569 -7.755
351 HD2 LYS 49 HD2 LYS 49 9.034 18.831 -7.455
352 HD3 LYS 49 HD3 LYS 49 8.098 18.816 -8.951
353 HE2 LYS 49 HE2 LYS 49 6.727 18.977 -6.292
354 HE3 LYS 49 HE3 LYS 49 7.407 20.423 -7.036
355 HZ1 LYS 49 HZ1 LYS 49 5.889 19.002 -8.943
356 HZ2 LYS 49 HZ2 LYS 49 5.643 20.566 -8.347
357 HZ3 LYS 49 HZ3 LYS 49 4.949 19.242 -7.556
358 H CY1 50 H CY1 50 6.024 14.146 -9.375
359 HA CY1 50 HA CY1 50 3.715 14.160 -11.202
360 HB2 CY1 50 HB2 CY1 50 6.287 12.579 -11.425
361 HB3 CY1 50 HB3 CY1 50 4.992 12.631 -12.616
362 HD2 CY1 50 HD2 CY1 50 7.622 12.914 -13.115
363 HD3 CY1 50 HD3 CY1 50 8.035 14.569 -14.034
364 HE CY1 50 HE CY1 50 8.941 13.704 -11.355
365 HM1 CY1 50 HM1 CY1 50 10.569 16.120 -10.620
366 HM2 CY1 50 HM2 CY1 50 11.890 15.379 -11.583
367 HM3 CY1 50 HM3 CY1 50 10.856 14.390 -10.571
368 HN1 NH2 51 HN1 NH2 51 2.216 12.570 -11.069
369 HN2 NH2 51 HN2 NH2 51 2.314 11.204 -10.016
Start of MODEL 9
1 H1 LEU 1 H1 LEU 1 -0.316 -9.284 17.918
2 H2 LEU 1 H2 LEU 1 -1.708 -8.457 17.352
3 H3 LEU 1 H3 LEU 1 -0.997 -9.694 16.399
4 HA LEU 1 HA LEU 1 -1.447 -11.203 18.327
5 HB2 LEU 1 HB2 LEU 1 -2.334 -8.714 19.342
6 HB3 LEU 1 HB3 LEU 1 -3.763 -9.708 19.132
7 HG LEU 1 HG LEU 1 -2.902 -9.936 21.387
8 HD11 LEU 1 HD11 LEU 1 -3.658 -11.971 19.781
9 HD12 LEU 1 HD12 LEU 1 -3.313 -12.142 21.502
10 HD13 LEU 1 HD13 LEU 1 -2.076 -12.544 20.311
11 HD21 LEU 1 HD21 LEU 1 -0.572 -9.389 20.973
12 HD22 LEU 1 HD22 LEU 1 -0.361 -10.889 20.071
13 HD23 LEU 1 HD23 LEU 1 -0.702 -10.940 21.801
14 H GLN 2 H GLN 2 -3.489 -9.009 16.428
15 HA GLN 2 HA GLN 2 -4.811 -11.377 15.290
16 HB2 GLN 2 HB2 GLN 2 -6.897 -9.989 15.118
17 HB3 GLN 2 HB3 GLN 2 -6.442 -10.452 16.753
18 HG2 GLN 2 HG2 GLN 2 -5.241 -8.121 16.740
19 HG3 GLN 2 HG3 GLN 2 -6.395 -7.776 15.453
20 HE21 GLN 2 HE21 GLN 2 -6.442 -9.406 18.611
21 HE22 GLN 2 HE22 GLN 2 -7.861 -8.610 19.190
22 H MET 3 H MET 3 -4.310 -11.507 13.236
23 HA MET 3 HA MET 3 -4.058 -10.974 11.036
24 HB2 MET 3 HB2 MET 3 -6.071 -9.478 11.520
25 HB3 MET 3 HB3 MET 3 -4.915 -8.161 11.654
26 HG2 MET 3 HG2 MET 3 -5.932 -8.233 9.447
27 HG3 MET 3 HG3 MET 3 -4.197 -8.531 9.362
28 HE1 MET 3 HE1 MET 3 -3.539 -11.832 9.180
29 HE2 MET 3 HE2 MET 3 -3.096 -10.211 8.644
30 HE3 MET 3 HE3 MET 3 -3.703 -11.389 7.481
31 H ALA 4 H ALA 4 -2.369 -9.543 13.502
32 HA ALA 4 HA ALA 4 -0.577 -8.055 11.750
33 HB1 ALA 4 HB1 ALA 4 -1.461 -7.623 14.284
34 HB2 ALA 4 HB2 ALA 4 -0.032 -6.874 13.570
35 HB3 ALA 4 HB3 ALA 4 0.134 -8.314 14.576
36 H GLY 5 H GLY 5 -0.099 -10.263 10.710
37 HA2 GLY 5 HA2 GLY 5 2.473 -11.055 11.114
38 HA3 GLY 5 HA3 GLY 5 1.556 -12.081 12.210
39 H GLN 6 H GLN 6 0.428 -10.945 9.075
40 HA GLN 6 HA GLN 6 1.170 -13.059 7.490
41 HB2 GLN 6 HB2 GLN 6 -0.681 -13.941 9.360
42 HB3 GLN 6 HB3 GLN 6 -1.657 -13.643 7.928
43 HG2 GLN 6 HG2 GLN 6 -1.039 -15.875 7.752
44 HG3 GLN 6 HG3 GLN 6 0.071 -15.033 6.672
45 HE21 GLN 6 HE21 GLN 6 2.229 -14.988 7.135
46 HE22 GLN 6 HE22 GLN 6 2.947 -15.906 8.411
47 H CYS 7 H CYS 7 1.347 -10.910 6.556
48 HA CYS 7 HA CYS 7 -1.009 -10.336 4.899
49 HB2 CYS 7 HB2 CYS 7 0.599 -8.331 6.486
50 HB3 CYS 7 HB3 CYS 7 -0.451 -7.864 5.154
51 H SER 8 H SER 8 -0.562 -9.648 2.816
52 HA SER 8 HA SER 8 1.788 -10.441 1.593
53 HB2 SER 8 HB2 SER 8 0.183 -8.105 0.565
54 HB3 SER 8 HB3 SER 8 1.033 -9.344 -0.358
55 HG SER 8 HG SER 8 -0.520 -10.853 0.435
56 H GLN 9 H GLN 9 3.671 -9.351 0.951
57 HA GLN 9 HA GLN 9 4.838 -7.713 2.769
58 HB2 GLN 9 HB2 GLN 9 5.396 -8.309 -0.084
59 HB3 GLN 9 HB3 GLN 9 6.237 -6.935 0.620
60 HG2 GLN 9 HG2 GLN 9 7.531 -8.226 1.944
61 HG3 GLN 9 HG3 GLN 9 6.270 -9.436 2.185
62 HE21 GLN 9 HE21 GLN 9 7.725 -8.152 -0.774
63 HE22 GLN 9 HE22 GLN 9 8.292 -9.673 -1.364
64 H ASN 10 H ASN 10 4.868 -5.733 3.340
65 HA ASN 10 HA ASN 10 4.347 -3.563 3.543
66 HB2 ASN 10 HB2 ASN 10 5.119 -3.911 0.771
67 HB3 ASN 10 HB3 ASN 10 3.962 -2.597 0.951
68 HD21 ASN 10 HD21 ASN 10 6.878 -3.864 2.547
69 HD22 ASN 10 HD22 ASN 10 7.589 -2.317 2.836
70 H GLU 11 H GLU 11 2.203 -5.490 3.542
71 HA GLU 11 HA GLU 11 0.012 -4.210 2.168
72 HB2 GLU 11 HB2 GLU 11 0.345 -6.708 3.333
73 HB3 GLU 11 HB3 GLU 11 -0.816 -5.902 4.368
74 HG2 GLU 11 HG2 GLU 11 -2.339 -5.598 2.608
75 HG3 GLU 11 HG3 GLU 11 -1.130 -5.989 1.390
76 H TYR 12 H TYR 12 -1.682 -2.965 2.998
77 HA TYR 12 HA TYR 12 -0.881 -1.696 5.558
78 HB2 TYR 12 HB2 TYR 12 -1.692 0.356 4.866
79 HB3 TYR 12 HB3 TYR 12 -0.907 -0.284 3.430
80 HD1 TYR 12 HD1 TYR 12 -4.133 0.517 4.995
81 HD2 TYR 12 HD2 TYR 12 -2.182 -0.795 1.451
82 HE1 TYR 12 HE1 TYR 12 -6.190 0.932 3.716
83 HE2 TYR 12 HE2 TYR 12 -4.236 -0.391 0.163
84 HH TYR 12 HH TYR 12 -6.700 1.461 1.168
85 H PHE 13 H PHE 13 -2.009 -2.126 7.207
86 HA PHE 13 HA PHE 13 -4.630 -3.346 7.018
87 HB2 PHE 13 HB2 PHE 13 -2.940 -4.224 8.574
88 HB3 PHE 13 HB3 PHE 13 -2.903 -2.681 9.417
89 HD1 PHE 13 HD1 PHE 13 -4.810 -5.742 8.820
90 HD2 PHE 13 HD2 PHE 13 -4.676 -2.037 10.912
91 HE1 PHE 13 HE1 PHE 13 -6.611 -6.519 10.306
92 HE2 PHE 13 HE2 PHE 13 -6.472 -2.811 12.406
93 HZ PHE 13 HZ PHE 13 -7.443 -5.054 12.103
94 H ASP 14 H ASP 14 -6.087 -1.777 6.415
95 HA ASP 14 HA ASP 14 -6.179 0.832 7.554
96 HB2 ASP 14 HB2 ASP 14 -7.429 -0.432 5.427
97 HB3 ASP 14 HB3 ASP 14 -8.741 -0.172 6.569
98 H SER 15 H SER 15 -6.340 0.935 9.727
99 HA SER 15 HA SER 15 -7.623 -0.800 11.427
100 HB2 SER 15 HB2 SER 15 -7.774 1.135 13.019
101 HB3 SER 15 HB3 SER 15 -6.177 0.926 12.302
102 HG SER 15 HG SER 15 -8.123 2.699 11.255
103 H LEU 16 H LEU 16 -9.010 1.516 9.283
104 HA LEU 16 HA LEU 16 -11.580 1.568 10.612
105 HB2 LEU 16 HB2 LEU 16 -10.391 3.334 9.000
106 HB3 LEU 16 HB3 LEU 16 -11.279 2.435 7.785
107 HG LEU 16 HG LEU 16 -12.584 4.341 8.428
108 HD11 LEU 16 HD11 LEU 16 -13.912 2.105 9.901
109 HD12 LEU 16 HD12 LEU 16 -13.631 1.987 8.164
110 HD13 LEU 16 HD13 LEU 16 -14.612 3.301 8.812
111 HD21 LEU 16 HD21 LEU 16 -11.523 4.704 10.624
112 HD22 LEU 16 HD22 LEU 16 -12.420 3.327 11.263
113 HD23 LEU 16 HD23 LEU 16 -13.284 4.760 10.703
114 H LEU 17 H LEU 17 -9.992 -0.240 8.110
115 HA LEU 17 HA LEU 17 -12.496 -1.542 7.328
116 HB2 LEU 17 HB2 LEU 17 -9.737 -1.748 6.128
117 HB3 LEU 17 HB3 LEU 17 -11.204 -2.449 5.466
118 HG LEU 17 HG LEU 17 -10.742 0.514 5.807
119 HD11 LEU 17 HD11 LEU 17 -10.270 -1.334 3.496
120 HD12 LEU 17 HD12 LEU 17 -9.212 -0.088 4.160
121 HD13 LEU 17 HD13 LEU 17 -10.647 0.370 3.242
122 HD21 LEU 17 HD21 LEU 17 -12.791 -0.793 4.056
123 HD22 LEU 17 HD22 LEU 17 -12.749 0.852 4.688
124 HD23 LEU 17 HD23 LEU 17 -13.117 -0.496 5.763
125 H HIS 18 H HIS 18 -9.607 -2.091 9.166
126 HA HIS 18 HA HIS 18 -8.850 -3.886 10.347
127 HB2 HIS 18 HB2 HIS 18 -11.701 -4.739 9.900
128 HB3 HIS 18 HB3 HIS 18 -10.559 -5.707 10.822
129 HD1 HIS 18 HD1 HIS 18 -12.505 -2.509 10.965
130 HD2 HIS 18 HD2 HIS 18 -9.971 -4.749 13.379
131 HE1 HIS 18 HE1 HIS 18 -12.693 -1.496 13.259
132 HE2 HIS 18 HE2 HIS 18 -11.090 -2.817 14.684
133 H ALA 19 H ALA 19 -7.995 -3.825 7.880
134 HA ALA 19 HA ALA 19 -7.513 -6.543 7.208
135 HB1 ALA 19 HB1 ALA 19 -9.669 -5.253 5.897
136 HB2 ALA 19 HB2 ALA 19 -8.972 -6.838 5.559
137 HB3 ALA 19 HB3 ALA 19 -8.342 -5.402 4.739
138 H CYS 20 H CYS 20 -5.607 -6.708 6.283
139 HA CYS 20 HA CYS 20 -4.164 -4.282 5.694
140 HB2 CYS 20 HB2 CYS 20 -2.192 -5.827 5.420
141 HB3 CYS 20 HB3 CYS 20 -2.917 -5.816 7.020
142 H ILE 21 H ILE 21 -4.375 -3.449 3.789
143 HA ILE 21 HA ILE 21 -4.848 -5.141 1.440
144 HB ILE 21 HB ILE 21 -5.323 -2.228 2.004
145 HG12 ILE 21 HG12 ILE 21 -7.699 -2.883 1.466
146 HG13 ILE 21 HG13 ILE 21 -7.156 -4.557 1.411
147 HG21 ILE 21 HG21 ILE 21 -6.101 -3.504 -0.596
148 HG22 ILE 21 HG22 ILE 21 -4.523 -2.744 -0.393
149 HG23 ILE 21 HG23 ILE 21 -5.991 -1.795 -0.186
150 HD11 ILE 21 HD11 ILE 21 -6.596 -2.930 3.834
151 HD12 ILE 21 HD12 ILE 21 -6.841 -4.669 3.673
152 HD13 ILE 21 HD13 ILE 21 -8.217 -3.570 3.571
153 HA PRO 22 HA PRO 22 -0.814 -4.146 -0.076
154 HB2 PRO 22 HB2 PRO 22 -1.114 -4.732 -2.695
155 HB3 PRO 22 HB3 PRO 22 -1.046 -5.988 -1.452
156 HG2 PRO 22 HG2 PRO 22 -3.432 -4.791 -2.809
157 HG3 PRO 22 HG3 PRO 22 -3.089 -6.495 -2.447
158 HD2 PRO 22 HD2 PRO 22 -4.735 -4.961 -0.902
159 HD3 PRO 22 HD3 PRO 22 -3.765 -6.291 -0.242
160 H CYS 23 H CYS 23 0.096 -2.273 -0.531
161 HA CYS 23 HA CYS 23 -1.314 0.041 -1.182
162 HB2 CYS 23 HB2 CYS 23 1.612 -0.252 -1.828
163 HB3 CYS 23 HB3 CYS 23 0.744 1.168 -1.260
164 H GLN 24 H GLN 24 0.308 -2.262 -3.275
165 HA GLN 24 HA GLN 24 0.525 -0.863 -5.624
166 HB2 GLN 24 HB2 GLN 24 -0.579 -3.575 -5.975
167 HB3 GLN 24 HB3 GLN 24 0.867 -2.854 -6.662
168 HG2 GLN 24 HG2 GLN 24 1.931 -3.127 -4.392
169 HG3 GLN 24 HG3 GLN 24 0.528 -4.103 -3.954
170 HE21 GLN 24 HE21 GLN 24 0.241 -6.113 -4.903
171 HE22 GLN 24 HE22 GLN 24 1.508 -6.925 -5.749
172 H LEU 25 H LEU 25 -2.320 -2.407 -4.314
173 HA LEU 25 HA LEU 25 -4.017 -1.937 -6.503
174 HB2 LEU 25 HB2 LEU 25 -4.235 -3.413 -4.287
175 HB3 LEU 25 HB3 LEU 25 -5.177 -2.024 -3.779
176 HG LEU 25 HG LEU 25 -6.621 -2.309 -5.774
177 HD11 LEU 25 HD11 LEU 25 -4.709 -4.538 -6.279
178 HD12 LEU 25 HD12 LEU 25 -5.417 -3.382 -7.406
179 HD13 LEU 25 HD13 LEU 25 -6.391 -4.712 -6.779
180 HD21 LEU 25 HD21 LEU 25 -7.966 -3.615 -4.565
181 HD22 LEU 25 HD22 LEU 25 -6.640 -3.724 -3.407
182 HD23 LEU 25 HD23 LEU 25 -6.846 -4.974 -4.633
183 H ARG 26 H ARG 26 -2.752 0.225 -4.202
184 HA ARG 26 HA ARG 26 -4.825 2.172 -4.894
185 HB2 ARG 26 HB2 ARG 26 -3.193 2.206 -2.371
186 HB3 ARG 26 HB3 ARG 26 -4.542 3.260 -2.769
187 HG2 ARG 26 HG2 ARG 26 -4.677 0.296 -2.258
188 HG3 ARG 26 HG3 ARG 26 -5.248 1.581 -1.191
189 HD2 ARG 26 HD2 ARG 26 -6.279 1.125 -3.981
190 HD3 ARG 26 HD3 ARG 26 -7.026 0.440 -2.543
191 HE ARG 26 HE ARG 26 -7.106 3.210 -3.401
192 HH11 ARG 26 HH11 ARG 26 -7.610 0.967 -0.771
193 HH12 ARG 26 HH12 ARG 26 -8.668 2.029 0.094
194 HH21 ARG 26 HH21 ARG 26 -8.497 4.604 -2.262
195 HH22 ARG 26 HH22 ARG 26 -9.172 4.093 -0.750
196 H CYS 27 H CYS 27 -1.724 1.413 -5.423
197 HA CYS 27 HA CYS 27 -0.526 4.003 -5.307
198 HB2 CYS 27 HB2 CYS 27 0.371 1.439 -6.626
199 HB3 CYS 27 HB3 CYS 27 1.316 2.922 -6.655
200 H SER 28 H SER 28 -2.514 2.363 -7.564
201 HA SER 28 HA SER 28 -1.672 3.780 -9.837
202 HB2 SER 28 HB2 SER 28 -3.518 2.680 -10.993
203 HB3 SER 28 HB3 SER 28 -2.613 1.520 -10.020
204 HG SER 28 HG SER 28 -5.014 2.805 -9.216
205 H SER 29 H SER 29 -2.934 5.119 -7.329
206 HA SER 29 HA SER 29 -5.024 6.655 -8.669
207 HB2 SER 29 HB2 SER 29 -5.599 5.616 -6.488
208 HB3 SER 29 HB3 SER 29 -4.302 6.545 -5.737
209 HG SER 29 HG SER 29 -6.434 7.503 -5.581
210 H ASN 30 H ASN 30 -4.939 8.911 -7.269
211 HA ASN 30 HA ASN 30 -2.947 10.368 -8.528
212 HB2 ASN 30 HB2 ASN 30 -5.287 11.108 -7.575
213 HB3 ASN 30 HB3 ASN 30 -4.347 11.471 -6.133
214 HD21 ASN 30 HD21 ASN 30 -2.252 12.708 -6.670
215 HD22 ASN 30 HD22 ASN 30 -2.445 14.052 -7.740
216 H THR 31 H THR 31 -3.520 10.050 -5.062
217 HA THR 31 HA THR 31 -0.937 9.196 -4.429
218 HB THR 31 HB THR 31 -1.485 12.124 -4.069
219 HG1 THR 31 HG1 THR 31 0.211 12.403 -5.397
220 HG21 THR 31 HG21 THR 31 -0.185 12.189 -2.285
221 HG22 THR 31 HG22 THR 31 1.141 11.562 -3.264
222 HG23 THR 31 HG23 THR 31 0.093 10.450 -2.383
223 HA PRO 32 HA PRO 32 -3.811 9.047 -0.858
224 HB2 PRO 32 HB2 PRO 32 -5.140 6.740 -1.294
225 HB3 PRO 32 HB3 PRO 32 -5.598 8.257 -2.072
226 HG2 PRO 32 HG2 PRO 32 -4.466 5.861 -3.271
227 HG3 PRO 32 HG3 PRO 32 -5.136 7.299 -4.067
228 HD2 PRO 32 HD2 PRO 32 -2.281 6.666 -3.436
229 HD3 PRO 32 HD3 PRO 32 -2.929 7.799 -4.645
230 HA PRO 33 HA PRO 33 -1.233 5.262 0.457
231 HB2 PRO 33 HB2 PRO 33 1.246 5.277 -0.361
232 HB3 PRO 33 HB3 PRO 33 -0.027 4.932 -1.540
233 HG2 PRO 33 HG2 PRO 33 1.485 7.477 -1.082
234 HG3 PRO 33 HG3 PRO 33 1.026 6.711 -2.614
235 HD2 PRO 33 HD2 PRO 33 -0.383 8.764 -1.300
236 HD3 PRO 33 HD3 PRO 33 -0.983 7.747 -2.617
237 H LEU 34 H LEU 34 -1.669 6.637 2.385
238 HA LEU 34 HA LEU 34 0.383 8.409 3.233
239 HB2 LEU 34 HB2 LEU 34 -0.713 8.094 5.584
240 HB3 LEU 34 HB3 LEU 34 -1.505 9.033 4.346
241 HG LEU 34 HG LEU 34 -2.956 7.004 3.873
242 HD11 LEU 34 HD11 LEU 34 -2.275 5.070 4.789
243 HD12 LEU 34 HD12 LEU 34 -2.895 5.711 6.309
244 HD13 LEU 34 HD13 LEU 34 -1.189 5.893 5.909
245 HD21 LEU 34 HD21 LEU 34 -3.377 7.732 6.701
246 HD22 LEU 34 HD22 LEU 34 -4.493 7.767 5.336
247 HD23 LEU 34 HD23 LEU 34 -3.303 9.052 5.535
248 H THR 35 H THR 35 -0.383 5.069 4.234
249 HA THR 35 HA THR 35 2.170 4.966 5.607
250 HB THR 35 HB THR 35 0.185 3.960 6.686
251 HG1 THR 35 HG1 THR 35 1.238 2.149 7.325
252 HG21 THR 35 HG21 THR 35 -0.861 1.992 5.890
253 HG22 THR 35 HG22 THR 35 0.260 1.867 4.535
254 HG23 THR 35 HG23 THR 35 -0.918 3.177 4.585
255 H CYS 36 H CYS 36 1.314 4.872 2.501
256 HA CYS 36 HA CYS 36 3.275 2.779 1.865
257 HB2 CYS 36 HB2 CYS 36 0.722 3.419 0.395
258 HB3 CYS 36 HB3 CYS 36 1.967 2.330 -0.206
259 H GLN 37 H GLN 37 2.712 6.046 1.744
260 HA GLN 37 HA GLN 37 3.321 6.886 -0.790
261 HB2 GLN 37 HB2 GLN 37 3.135 8.093 1.681
262 HB3 GLN 37 HB3 GLN 37 4.815 8.373 1.245
263 HG2 GLN 37 HG2 GLN 37 3.939 9.240 -0.972
264 HG3 GLN 37 HG3 GLN 37 2.345 9.237 -0.219
265 HE21 GLN 37 HE21 GLN 37 1.845 10.767 1.296
266 HE22 GLN 37 HE22 GLN 37 2.862 12.116 1.656
267 H ARG 38 H ARG 38 5.420 5.315 1.461
268 HA ARG 38 HA ARG 38 7.837 6.002 0.049
269 HB2 ARG 38 HB2 ARG 38 8.501 5.599 2.174
270 HB3 ARG 38 HB3 ARG 38 7.112 4.583 2.519
271 HG2 ARG 38 HG2 ARG 38 8.171 2.670 1.616
272 HG3 ARG 38 HG3 ARG 38 9.469 3.639 0.913
273 HD2 ARG 38 HD2 ARG 38 8.965 3.597 3.867
274 HD3 ARG 38 HD3 ARG 38 9.932 2.349 3.091
275 HE ARG 38 HE ARG 38 10.672 5.120 3.512
276 HH11 ARG 38 HH11 ARG 38 11.350 2.169 1.771
277 HH12 ARG 38 HH12 ARG 38 12.982 2.614 1.406
278 HH21 ARG 38 HH21 ARG 38 12.818 5.705 3.029
279 HH22 ARG 38 HH22 ARG 38 13.816 4.620 2.119
280 H TYR 39 H TYR 39 5.564 3.336 0.177
281 HA TYR 39 HA TYR 39 7.164 1.628 -1.470
282 HB2 TYR 39 HB2 TYR 39 5.468 0.908 0.338
283 HB3 TYR 39 HB3 TYR 39 4.249 1.197 -0.900
284 HD1 TYR 39 HD1 TYR 39 7.054 -0.926 0.122
285 HD2 TYR 39 HD2 TYR 39 4.076 -0.249 -2.838
286 HE1 TYR 39 HE1 TYR 39 7.485 -3.159 -0.812
287 HE2 TYR 39 HE2 TYR 39 4.500 -2.479 -3.783
288 HH TYR 39 HH TYR 39 5.439 -4.703 -2.905
289 H CYS 40 H CYS 40 4.223 3.561 -1.915
290 HA CYS 40 HA CYS 40 3.761 2.762 -4.576
291 HB2 CYS 40 HB2 CYS 40 2.983 5.221 -3.026
292 HB3 CYS 40 HB3 CYS 40 2.593 5.069 -4.734
293 H ASN 41 H ASN 41 5.716 5.367 -3.210
294 HA ASN 41 HA ASN 41 6.470 6.375 -5.753
295 HB2 ASN 41 HB2 ASN 41 7.364 8.089 -4.594
296 HB3 ASN 41 HB3 ASN 41 6.630 7.346 -3.181
297 HD21 ASN 41 HD21 ASN 41 8.140 5.328 -2.498
298 HD22 ASN 41 HD22 ASN 41 9.776 5.800 -2.205
299 H ALA 42 H ALA 42 7.335 3.689 -3.978
300 HA ALA 42 HA ALA 42 9.828 3.379 -5.504
301 HB1 ALA 42 HB1 ALA 42 9.237 1.720 -3.092
302 HB2 ALA 42 HB2 ALA 42 9.835 3.367 -2.894
303 HB3 ALA 42 HB3 ALA 42 10.794 2.182 -3.779
304 H SER 43 H SER 43 7.053 2.850 -6.280
305 HA SER 43 HA SER 43 7.376 0.045 -7.030
306 HB2 SER 43 HB2 SER 43 5.078 1.338 -5.688
307 HB3 SER 43 HB3 SER 43 4.679 0.244 -7.012
308 HG SER 43 HG SER 43 6.412 -0.453 -4.880
309 H VAL 44 H VAL 44 6.063 3.218 -7.791
310 HA VAL 44 HA VAL 44 5.534 4.228 -9.766
311 HB VAL 44 HB VAL 44 7.153 2.042 -11.077
312 HG11 VAL 44 HG11 VAL 44 7.027 4.847 -12.055
313 HG12 VAL 44 HG12 VAL 44 5.646 3.790 -12.354
314 HG13 VAL 44 HG13 VAL 44 7.244 3.344 -12.952
315 HG21 VAL 44 HG21 VAL 44 8.264 4.703 -10.273
316 HG22 VAL 44 HG22 VAL 44 9.116 3.208 -10.657
317 HG23 VAL 44 HG23 VAL 44 8.242 3.358 -9.133
318 H THR 45 H THR 45 3.452 2.984 -8.960
319 HA THR 45 HA THR 45 1.423 2.243 -9.655
320 HB THR 45 HB THR 45 2.765 1.963 -12.338
321 HG1 THR 45 HG1 THR 45 1.615 3.904 -12.757
322 HG21 THR 45 HG21 THR 45 0.061 1.283 -11.473
323 HG22 THR 45 HG22 THR 45 0.953 0.803 -12.917
324 HG23 THR 45 HG23 THR 45 0.135 2.364 -12.865
325 H ASN 46 H ASN 46 4.252 0.379 -9.858
326 HA ASN 46 HA ASN 46 4.679 -1.832 -9.619
327 HB2 ASN 46 HB2 ASN 46 2.010 -1.480 -8.392
328 HB3 ASN 46 HB3 ASN 46 2.456 -3.135 -8.795
329 HD21 ASN 46 HD21 ASN 46 2.357 -1.116 -6.335
330 HD22 ASN 46 HD22 ASN 46 3.733 -1.627 -5.424
331 H SER 47 H SER 47 3.877 -0.868 -12.158
332 HA SER 47 HA SER 47 3.338 -1.600 -14.243
333 HB2 SER 47 HB2 SER 47 4.015 -3.766 -14.792
334 HB3 SER 47 HB3 SER 47 4.936 -3.437 -13.325
335 HG SER 47 HG SER 47 3.474 -4.659 -12.160
336 H VAL 48 H VAL 48 1.429 -1.520 -15.200
337 HA VAL 48 HA VAL 48 -0.578 -3.388 -15.117
338 HB VAL 48 HB VAL 48 -2.337 -1.861 -13.964
339 HG11 VAL 48 HG11 VAL 48 -2.520 -3.577 -12.570
340 HG12 VAL 48 HG12 VAL 48 -0.982 -3.199 -11.792
341 HG13 VAL 48 HG13 VAL 48 -1.013 -4.190 -13.251
342 HG21 VAL 48 HG21 VAL 48 -0.729 -0.067 -13.421
343 HG22 VAL 48 HG22 VAL 48 0.106 -1.176 -12.335
344 HG23 VAL 48 HG23 VAL 48 -1.556 -0.696 -11.996
345 H LYS 49 H LYS 49 -0.761 -2.980 -17.192
346 HA LYS 49 HA LYS 49 -1.455 -2.038 -19.145
347 HB2 LYS 49 HB2 LYS 49 -3.350 -1.356 -17.244
348 HB3 LYS 49 HB3 LYS 49 -2.965 0.182 -18.003
349 HG2 LYS 49 HG2 LYS 49 -3.897 -0.401 -19.977
350 HG3 LYS 49 HG3 LYS 49 -3.438 -2.098 -19.818
351 HD2 LYS 49 HD2 LYS 49 -5.550 -0.885 -18.066
352 HD3 LYS 49 HD3 LYS 49 -5.935 -1.491 -19.678
353 HE2 LYS 49 HE2 LYS 49 -4.819 -3.660 -18.957
354 HE3 LYS 49 HE3 LYS 49 -4.866 -3.016 -17.316
355 HZ1 LYS 49 HZ1 LYS 49 -6.775 -4.478 -17.960
356 HZ2 LYS 49 HZ2 LYS 49 -7.278 -3.261 -19.022
357 HZ3 LYS 49 HZ3 LYS 49 -7.213 -2.957 -17.359
358 H CY1 50 H CY1 50 -0.580 -0.641 -20.571
359 HA CY1 50 HA CY1 50 0.192 2.018 -19.904
360 HB2 CY1 50 HB2 CY1 50 2.025 0.150 -19.076
361 HB3 CY1 50 HB3 CY1 50 2.635 0.579 -20.670
362 HD2 CY1 50 HD2 CY1 50 4.267 2.235 -20.368
363 HD3 CY1 50 HD3 CY1 50 5.387 2.712 -19.154
364 HE CY1 50 HE CY1 50 4.589 0.044 -19.735
365 HM1 CY1 50 HM1 CY1 50 6.753 -1.444 -17.997
366 HM2 CY1 50 HM2 CY1 50 5.111 -1.699 -18.675
367 HM3 CY1 50 HM3 CY1 50 5.358 -1.566 -16.944
368 HN1 NH2 51 HN1 NH2 51 -0.408 2.976 -21.750
369 HN2 NH2 51 HN2 NH2 51 -0.033 2.423 -23.343
Start of MODEL 10
1 H1 LEU 1 H1 LEU 1 0.051 0.749 17.398
2 H2 LEU 1 H2 LEU 1 -0.320 1.423 18.932
3 H3 LEU 1 H3 LEU 1 -0.872 2.190 17.500
4 HA LEU 1 HA LEU 1 -1.768 -0.307 18.736
5 HB2 LEU 1 HB2 LEU 1 -2.641 2.159 19.086
6 HB3 LEU 1 HB3 LEU 1 -3.457 1.860 17.563
7 HG LEU 1 HG LEU 1 -4.335 -0.291 18.755
8 HD11 LEU 1 HD11 LEU 1 -3.122 1.268 20.952
9 HD12 LEU 1 HD12 LEU 1 -3.378 -0.470 20.795
10 HD13 LEU 1 HD13 LEU 1 -4.717 0.581 21.254
11 HD21 LEU 1 HD21 LEU 1 -5.437 2.073 18.148
12 HD22 LEU 1 HD22 LEU 1 -5.599 2.121 19.903
13 HD23 LEU 1 HD23 LEU 1 -6.308 0.790 18.988
14 H GLN 2 H GLN 2 -1.340 1.391 15.710
15 HA GLN 2 HA GLN 2 -3.006 -0.435 14.216
16 HB2 GLN 2 HB2 GLN 2 -2.052 0.817 12.234
17 HB3 GLN 2 HB3 GLN 2 -2.957 1.788 13.386
18 HG2 GLN 2 HG2 GLN 2 -0.991 2.738 14.279
19 HG3 GLN 2 HG3 GLN 2 0.035 1.561 13.460
20 HE21 GLN 2 HE21 GLN 2 0.149 1.668 11.130
21 HE22 GLN 2 HE22 GLN 2 -0.044 3.190 10.338
22 H MET 3 H MET 3 -2.389 -2.374 13.561
23 HA MET 3 HA MET 3 -0.396 -3.188 12.042
24 HB2 MET 3 HB2 MET 3 0.779 -2.592 14.663
25 HB3 MET 3 HB3 MET 3 1.054 -4.239 14.128
26 HG2 MET 3 HG2 MET 3 2.089 -1.686 12.966
27 HG3 MET 3 HG3 MET 3 2.934 -3.178 13.355
28 HE1 MET 3 HE1 MET 3 0.010 -2.099 10.412
29 HE2 MET 3 HE2 MET 3 1.464 -1.687 9.502
30 HE3 MET 3 HE3 MET 3 1.211 -1.012 11.112
31 H ALA 4 H ALA 4 -1.249 -4.953 11.500
32 HA ALA 4 HA ALA 4 -2.736 -6.620 13.356
33 HB1 ALA 4 HB1 ALA 4 -4.040 -6.958 11.595
34 HB2 ALA 4 HB2 ALA 4 -2.713 -7.768 10.762
35 HB3 ALA 4 HB3 ALA 4 -2.934 -6.028 10.584
36 H GLY 5 H GLY 5 -0.882 -7.356 14.549
37 HA2 GLY 5 HA2 GLY 5 0.891 -8.821 15.012
38 HA3 GLY 5 HA3 GLY 5 -0.066 -9.935 14.040
39 H GLN 6 H GLN 6 1.291 -7.025 12.660
40 HA GLN 6 HA GLN 6 3.129 -6.661 11.347
41 HB2 GLN 6 HB2 GLN 6 4.013 -8.861 12.705
42 HB3 GLN 6 HB3 GLN 6 3.978 -9.469 11.055
43 HG2 GLN 6 HG2 GLN 6 6.156 -8.626 11.471
44 HG3 GLN 6 HG3 GLN 6 5.348 -7.500 10.379
45 HE21 GLN 6 HE21 GLN 6 4.719 -5.476 11.148
46 HE22 GLN 6 HE22 GLN 6 5.371 -4.807 12.602
47 H CYS 7 H CYS 7 1.239 -6.309 10.040
48 HA CYS 7 HA CYS 7 -0.081 -7.927 8.326
49 HB2 CYS 7 HB2 CYS 7 0.999 -5.164 7.936
50 HB3 CYS 7 HB3 CYS 7 0.178 -5.972 6.607
51 H SER 8 H SER 8 0.205 -8.899 6.341
52 HA SER 8 HA SER 8 2.734 -9.916 5.719
53 HB2 SER 8 HB2 SER 8 1.088 -9.785 3.350
54 HB3 SER 8 HB3 SER 8 1.532 -11.194 4.312
55 HG SER 8 HG SER 8 -0.690 -9.475 4.629
56 H GLN 9 H GLN 9 4.165 -9.418 3.983
57 HA GLN 9 HA GLN 9 4.898 -6.806 3.767
58 HB2 GLN 9 HB2 GLN 9 5.813 -9.212 2.722
59 HB3 GLN 9 HB3 GLN 9 5.489 -8.233 1.297
60 HG2 GLN 9 HG2 GLN 9 6.956 -6.883 3.459
61 HG3 GLN 9 HG3 GLN 9 7.808 -8.203 2.659
62 HE21 GLN 9 HE21 GLN 9 8.523 -7.949 0.598
63 HE22 GLN 9 HE22 GLN 9 8.420 -6.464 -0.278
64 H ASN 10 H ASN 10 4.409 -5.087 2.624
65 HA ASN 10 HA ASN 10 3.324 -3.685 1.231
66 HB2 ASN 10 HB2 ASN 10 3.850 -5.950 -0.346
67 HB3 ASN 10 HB3 ASN 10 2.170 -5.533 -0.666
68 HD21 ASN 10 HD21 ASN 10 2.181 -2.830 -0.495
69 HD22 ASN 10 HD22 ASN 10 3.187 -2.160 -1.730
70 H GLU 11 H GLU 11 1.977 -4.999 3.453
71 HA GLU 11 HA GLU 11 -0.762 -4.596 2.491
72 HB2 GLU 11 HB2 GLU 11 0.235 -6.981 3.493
73 HB3 GLU 11 HB3 GLU 11 -0.676 -6.294 4.828
74 HG2 GLU 11 HG2 GLU 11 -2.633 -6.733 3.855
75 HG3 GLU 11 HG3 GLU 11 -2.089 -6.162 2.277
76 H TYR 12 H TYR 12 -2.227 -3.471 3.733
77 HA TYR 12 HA TYR 12 -1.037 -2.292 6.185
78 HB2 TYR 12 HB2 TYR 12 -1.696 -0.128 5.656
79 HB3 TYR 12 HB3 TYR 12 -1.060 -0.749 4.139
80 HD1 TYR 12 HD1 TYR 12 -4.130 0.152 5.966
81 HD2 TYR 12 HD2 TYR 12 -2.473 -0.974 2.214
82 HE1 TYR 12 HE1 TYR 12 -6.227 0.787 4.855
83 HE2 TYR 12 HE2 TYR 12 -4.570 -0.347 1.094
84 HH TYR 12 HH TYR 12 -7.399 0.007 2.548
85 H PHE 13 H PHE 13 -2.167 -2.594 7.919
86 HA PHE 13 HA PHE 13 -4.745 -3.809 7.903
87 HB2 PHE 13 HB2 PHE 13 -3.148 -4.262 9.690
88 HB3 PHE 13 HB3 PHE 13 -3.169 -2.572 10.173
89 HD1 PHE 13 HD1 PHE 13 -5.480 -5.458 9.695
90 HD2 PHE 13 HD2 PHE 13 -4.554 -1.932 11.891
91 HE1 PHE 13 HE1 PHE 13 -7.340 -5.933 11.233
92 HE2 PHE 13 HE2 PHE 13 -6.414 -2.399 13.432
93 HZ PHE 13 HZ PHE 13 -7.810 -4.402 13.104
94 H ASP 14 H ASP 14 -6.270 -2.501 6.943
95 HA ASP 14 HA ASP 14 -6.585 0.267 7.575
96 HB2 ASP 14 HB2 ASP 14 -7.536 -1.261 5.580
97 HB3 ASP 14 HB3 ASP 14 -8.935 -1.294 6.648
98 H SER 15 H SER 15 -6.837 0.723 9.696
99 HA SER 15 HA SER 15 -8.083 -0.773 11.630
100 HB2 SER 15 HB2 SER 15 -8.403 1.376 12.867
101 HB3 SER 15 HB3 SER 15 -6.776 1.179 12.215
102 HG SER 15 HG SER 15 -8.882 2.751 11.147
103 H LEU 16 H LEU 16 -9.533 1.013 9.069
104 HA LEU 16 HA LEU 16 -12.147 1.106 10.315
105 HB2 LEU 16 HB2 LEU 16 -11.054 2.706 8.509
106 HB3 LEU 16 HB3 LEU 16 -11.750 1.546 7.393
107 HG LEU 16 HG LEU 16 -13.925 1.994 8.861
108 HD11 LEU 16 HD11 LEU 16 -14.077 4.053 9.859
109 HD12 LEU 16 HD12 LEU 16 -12.763 4.737 8.902
110 HD13 LEU 16 HD13 LEU 16 -12.406 3.631 10.228
111 HD21 LEU 16 HD21 LEU 16 -12.819 3.619 6.589
112 HD22 LEU 16 HD22 LEU 16 -14.452 3.853 7.210
113 HD23 LEU 16 HD23 LEU 16 -13.983 2.295 6.530
114 H LEU 17 H LEU 17 -10.334 -1.004 8.263
115 HA LEU 17 HA LEU 17 -12.722 -2.572 7.607
116 HB2 LEU 17 HB2 LEU 17 -9.909 -2.806 6.549
117 HB3 LEU 17 HB3 LEU 17 -11.317 -3.668 5.953
118 HG LEU 17 HG LEU 17 -10.999 -0.669 5.844
119 HD11 LEU 17 HD11 LEU 17 -9.479 -1.172 4.259
120 HD12 LEU 17 HD12 LEU 17 -10.914 -1.467 3.275
121 HD13 LEU 17 HD13 LEU 17 -10.081 -2.816 4.048
122 HD21 LEU 17 HD21 LEU 17 -13.300 -2.064 5.765
123 HD22 LEU 17 HD22 LEU 17 -12.850 -2.112 4.060
124 HD23 LEU 17 HD23 LEU 17 -13.035 -0.562 4.879
125 H HIS 18 H HIS 18 -9.844 -2.611 9.558
126 HA HIS 18 HA HIS 18 -9.018 -4.123 11.045
127 HB2 HIS 18 HB2 HIS 18 -11.764 -5.318 10.696
128 HB3 HIS 18 HB3 HIS 18 -10.586 -5.905 11.859
129 HD1 HIS 18 HD1 HIS 18 -9.602 -3.518 13.267
130 HD2 HIS 18 HD2 HIS 18 -13.563 -3.833 12.052
131 HE1 HIS 18 HE1 HIS 18 -10.882 -1.919 14.727
132 HE2 HIS 18 HE2 HIS 18 -13.287 -2.184 14.026
133 H ALA 19 H ALA 19 -8.035 -4.428 8.680
134 HA ALA 19 HA ALA 19 -7.298 -7.131 8.471
135 HB1 ALA 19 HB1 ALA 19 -8.434 -6.511 5.891
136 HB2 ALA 19 HB2 ALA 19 -9.675 -6.546 7.152
137 HB3 ALA 19 HB3 ALA 19 -8.640 -7.953 6.893
138 H CYS 20 H CYS 20 -5.466 -7.304 7.373
139 HA CYS 20 HA CYS 20 -4.117 -4.955 6.548
140 HB2 CYS 20 HB2 CYS 20 -3.370 -7.849 6.050
141 HB3 CYS 20 HB3 CYS 20 -2.312 -6.466 5.805
142 H ILE 21 H ILE 21 -4.817 -3.909 4.863
143 HA ILE 21 HA ILE 21 -5.789 -5.284 2.487
144 HB ILE 21 HB ILE 21 -5.722 -2.325 2.846
145 HG12 ILE 21 HG12 ILE 21 -6.626 -3.079 4.961
146 HG13 ILE 21 HG13 ILE 21 -7.917 -2.385 3.991
147 HG21 ILE 21 HG21 ILE 21 -7.563 -4.243 1.437
148 HG22 ILE 21 HG22 ILE 21 -6.496 -3.034 0.723
149 HG23 ILE 21 HG23 ILE 21 -7.923 -2.528 1.627
150 HD11 ILE 21 HD11 ILE 21 -8.710 -4.610 3.428
151 HD12 ILE 21 HD12 ILE 21 -8.633 -4.388 5.173
152 HD13 ILE 21 HD13 ILE 21 -7.389 -5.327 4.352
153 HA PRO 22 HA PRO 22 -1.943 -4.462 0.450
154 HB2 PRO 22 HB2 PRO 22 -2.769 -4.508 -2.165
155 HB3 PRO 22 HB3 PRO 22 -2.490 -5.962 -1.201
156 HG2 PRO 22 HG2 PRO 22 -5.055 -4.553 -1.818
157 HG3 PRO 22 HG3 PRO 22 -4.708 -6.294 -1.800
158 HD2 PRO 22 HD2 PRO 22 -5.968 -5.066 0.250
159 HD3 PRO 22 HD3 PRO 22 -4.864 -6.430 0.514
160 H CYS 23 H CYS 23 -0.929 -2.848 -1.032
161 HA CYS 23 HA CYS 23 -2.537 -0.372 -1.227
162 HB2 CYS 23 HB2 CYS 23 -0.673 -0.550 0.675
163 HB3 CYS 23 HB3 CYS 23 0.383 -0.100 -0.664
164 H GLN 24 H GLN 24 -0.135 -2.450 -2.644
165 HA GLN 24 HA GLN 24 0.918 -0.786 -4.600
166 HB2 GLN 24 HB2 GLN 24 1.900 -2.929 -4.337
167 HB3 GLN 24 HB3 GLN 24 0.359 -3.743 -4.565
168 HG2 GLN 24 HG2 GLN 24 1.698 -4.069 -6.512
169 HG3 GLN 24 HG3 GLN 24 0.362 -2.994 -6.922
170 HE21 GLN 24 HE21 GLN 24 0.816 -1.116 -7.856
171 HE22 GLN 24 HE22 GLN 24 2.393 -0.424 -8.005
172 H LEU 25 H LEU 25 -2.015 -2.696 -4.630
173 HA LEU 25 HA LEU 25 -2.795 -1.997 -7.253
174 HB2 LEU 25 HB2 LEU 25 -4.039 -3.371 -4.946
175 HB3 LEU 25 HB3 LEU 25 -5.136 -2.683 -6.129
176 HG LEU 25 HG LEU 25 -2.925 -4.366 -7.174
177 HD11 LEU 25 HD11 LEU 25 -4.745 -6.286 -6.765
178 HD12 LEU 25 HD12 LEU 25 -5.000 -5.329 -5.306
179 HD13 LEU 25 HD13 LEU 25 -3.400 -5.980 -5.666
180 HD21 LEU 25 HD21 LEU 25 -5.029 -3.143 -8.312
181 HD22 LEU 25 HD22 LEU 25 -5.747 -4.716 -7.963
182 HD23 LEU 25 HD23 LEU 25 -4.293 -4.612 -8.954
183 H ARG 26 H ARG 26 -2.664 -0.166 -4.458
184 HA ARG 26 HA ARG 26 -4.858 1.551 -5.307
185 HB2 ARG 26 HB2 ARG 26 -3.406 1.843 -2.704
186 HB3 ARG 26 HB3 ARG 26 -5.020 2.399 -3.121
187 HG2 ARG 26 HG2 ARG 26 -4.182 -0.468 -2.739
188 HG3 ARG 26 HG3 ARG 26 -5.112 0.509 -1.601
189 HD2 ARG 26 HD2 ARG 26 -5.960 -0.240 -4.395
190 HD3 ARG 26 HD3 ARG 26 -6.538 -0.992 -2.913
191 HE ARG 26 HE ARG 26 -7.358 1.546 -3.999
192 HH11 ARG 26 HH11 ARG 26 -7.102 -0.369 -1.092
193 HH12 ARG 26 HH12 ARG 26 -8.349 0.499 -0.261
194 HH21 ARG 26 HH21 ARG 26 -8.998 2.689 -2.906
195 HH22 ARG 26 HH22 ARG 26 -9.426 2.235 -1.292
196 H CYS 27 H CYS 27 -1.625 1.294 -5.585
197 HA CYS 27 HA CYS 27 -0.831 4.011 -5.259
198 HB2 CYS 27 HB2 CYS 27 0.883 2.319 -5.117
199 HB3 CYS 27 HB3 CYS 27 0.513 1.733 -6.736
200 H SER 28 H SER 28 -0.180 2.513 -8.355
201 HA SER 28 HA SER 28 -0.337 3.380 -10.454
202 HB2 SER 28 HB2 SER 28 -2.547 2.182 -9.740
203 HB3 SER 28 HB3 SER 28 -3.236 3.799 -9.881
204 HG SER 28 HG SER 28 -1.903 2.306 -11.891
205 H SER 29 H SER 29 0.229 5.385 -8.418
206 HA SER 29 HA SER 29 0.438 7.652 -8.228
207 HB2 SER 29 HB2 SER 29 0.662 8.873 -10.193
208 HB3 SER 29 HB3 SER 29 0.988 7.222 -10.725
209 HG SER 29 HG SER 29 -1.253 8.842 -11.190
210 H ASN 30 H ASN 30 -0.702 9.478 -7.757
211 HA ASN 30 HA ASN 30 -2.495 10.798 -7.243
212 HB2 ASN 30 HB2 ASN 30 -3.135 10.180 -9.686
213 HB3 ASN 30 HB3 ASN 30 -4.295 9.087 -8.939
214 HD21 ASN 30 HD21 ASN 30 -6.145 9.884 -8.127
215 HD22 ASN 30 HD22 ASN 30 -6.575 11.557 -8.133
216 H THR 31 H THR 31 -1.864 9.135 -5.357
217 HA THR 31 HA THR 31 -4.278 8.597 -4.018
218 HB THR 31 HB THR 31 -2.595 6.243 -4.832
219 HG1 THR 31 HG1 THR 31 -4.519 5.575 -5.848
220 HG21 THR 31 HG21 THR 31 -4.724 5.088 -3.748
221 HG22 THR 31 HG22 THR 31 -4.651 6.531 -2.736
222 HG23 THR 31 HG23 THR 31 -3.262 5.448 -2.828
223 HA PRO 32 HA PRO 32 -0.372 10.015 -1.690
224 HB2 PRO 32 HB2 PRO 32 -2.304 10.999 0.203
225 HB3 PRO 32 HB3 PRO 32 -1.198 11.921 -0.816
226 HG2 PRO 32 HG2 PRO 32 -4.040 11.241 -1.240
227 HG3 PRO 32 HG3 PRO 32 -3.098 12.606 -1.881
228 HD2 PRO 32 HD2 PRO 32 -3.828 10.560 -3.502
229 HD3 PRO 32 HD3 PRO 32 -2.222 11.311 -3.669
230 HA PRO 33 HA PRO 33 -1.245 6.377 0.942
231 HB2 PRO 33 HB2 PRO 33 1.063 5.091 0.163
232 HB3 PRO 33 HB3 PRO 33 -0.523 4.847 -0.557
233 HG2 PRO 33 HG2 PRO 33 1.764 5.980 -1.794
234 HG3 PRO 33 HG3 PRO 33 0.126 5.883 -2.455
235 HD2 PRO 33 HD2 PRO 33 1.497 8.157 -1.119
236 HD3 PRO 33 HD3 PRO 33 0.231 8.171 -2.366
237 H LEU 34 H LEU 34 -0.836 7.836 2.738
238 HA LEU 34 HA LEU 34 1.692 8.661 3.507
239 HB2 LEU 34 HB2 LEU 34 -0.423 7.753 5.458
240 HB3 LEU 34 HB3 LEU 34 0.868 8.898 5.758
241 HG LEU 34 HG LEU 34 -1.560 9.315 4.023
242 HD11 LEU 34 HD11 LEU 34 -2.241 9.667 6.201
243 HD12 LEU 34 HD12 LEU 34 -1.744 11.283 5.698
244 HD13 LEU 34 HD13 LEU 34 -0.673 10.302 6.699
245 HD21 LEU 34 HD21 LEU 34 -0.453 10.876 2.891
246 HD22 LEU 34 HD22 LEU 34 1.021 10.495 3.782
247 HD23 LEU 34 HD23 LEU 34 -0.094 11.712 4.402
248 H THR 35 H THR 35 0.102 5.583 4.039
249 HA THR 35 HA THR 35 2.428 4.555 5.420
250 HB THR 35 HB THR 35 0.140 3.919 6.142
251 HG1 THR 35 HG1 THR 35 1.611 1.704 5.165
252 HG21 THR 35 HG21 THR 35 -0.511 3.606 3.550
253 HG22 THR 35 HG22 THR 35 -1.379 2.855 4.890
254 HG23 THR 35 HG23 THR 35 -0.164 1.935 4.001
255 H CYS 36 H CYS 36 1.632 5.068 2.203
256 HA CYS 36 HA CYS 36 3.551 2.984 1.429
257 HB2 CYS 36 HB2 CYS 36 1.389 3.265 -0.526
258 HB3 CYS 36 HB3 CYS 36 2.198 1.819 0.066
259 H GLN 37 H GLN 37 3.035 6.156 1.373
260 HA GLN 37 HA GLN 37 3.223 7.068 -1.202
261 HB2 GLN 37 HB2 GLN 37 4.064 9.099 -0.321
262 HB3 GLN 37 HB3 GLN 37 3.130 8.406 0.990
263 HG2 GLN 37 HG2 GLN 37 6.105 8.092 0.789
264 HG3 GLN 37 HG3 GLN 37 5.337 9.460 1.580
265 HE21 GLN 37 HE21 GLN 37 5.488 9.219 3.682
266 HE22 GLN 37 HE22 GLN 37 5.185 7.766 4.566
267 H ARG 38 H ARG 38 5.870 6.125 0.873
268 HA ARG 38 HA ARG 38 7.951 6.568 -0.940
269 HB2 ARG 38 HB2 ARG 38 9.308 5.743 0.671
270 HB3 ARG 38 HB3 ARG 38 7.861 5.854 1.658
271 HG2 ARG 38 HG2 ARG 38 7.427 3.426 0.974
272 HG3 ARG 38 HG3 ARG 38 9.100 3.423 0.414
273 HD2 ARG 38 HD2 ARG 38 8.056 3.852 3.195
274 HD3 ARG 38 HD3 ARG 38 9.132 2.584 2.621
275 HE ARG 38 HE ARG 38 10.630 4.706 2.127
276 HH11 ARG 38 HH11 ARG 38 8.721 3.987 4.963
277 HH12 ARG 38 HH12 ARG 38 9.744 4.889 6.030
278 HH21 ARG 38 HH21 ARG 38 11.973 5.888 3.531
279 HH22 ARG 38 HH22 ARG 38 11.588 5.966 5.219
280 H TYR 39 H TYR 39 6.010 3.656 -0.360
281 HA TYR 39 HA TYR 39 7.419 2.081 -2.246
282 HB2 TYR 39 HB2 TYR 39 6.020 1.230 -0.286
283 HB3 TYR 39 HB3 TYR 39 4.612 1.539 -1.300
284 HD1 TYR 39 HD1 TYR 39 7.795 -0.364 -1.161
285 HD2 TYR 39 HD2 TYR 39 3.932 -0.027 -2.917
286 HE1 TYR 39 HE1 TYR 39 8.111 -2.540 -2.263
287 HE2 TYR 39 HE2 TYR 39 4.239 -2.202 -4.020
288 HH TYR 39 HH TYR 39 6.069 -3.663 -4.737
289 H CYS 40 H CYS 40 4.359 3.856 -2.365
290 HA CYS 40 HA CYS 40 3.624 3.044 -4.953
291 HB2 CYS 40 HB2 CYS 40 2.034 4.199 -3.487
292 HB3 CYS 40 HB3 CYS 40 3.011 5.663 -3.554
293 H ASN 41 H ASN 41 5.729 5.622 -3.818
294 HA ASN 41 HA ASN 41 6.127 6.774 -6.361
295 HB2 ASN 41 HB2 ASN 41 7.118 8.352 -5.113
296 HB3 ASN 41 HB3 ASN 41 6.962 7.314 -3.703
297 HD21 ASN 41 HD21 ASN 41 8.694 5.522 -3.663
298 HD22 ASN 41 HD22 ASN 41 10.309 6.052 -3.978
299 H ALA 42 H ALA 42 7.223 3.959 -4.888
300 HA ALA 42 HA ALA 42 9.411 3.661 -6.809
301 HB1 ALA 42 HB1 ALA 42 9.420 3.124 -4.149
302 HB2 ALA 42 HB2 ALA 42 10.506 2.372 -5.319
303 HB3 ALA 42 HB3 ALA 42 9.035 1.537 -4.816
304 H SER 43 H SER 43 6.499 3.452 -7.292
305 HA SER 43 HA SER 43 6.588 0.958 -8.773
306 HB2 SER 43 HB2 SER 43 4.518 1.632 -6.698
307 HB3 SER 43 HB3 SER 43 4.145 0.549 -8.039
308 HG SER 43 HG SER 43 6.108 -0.623 -7.323
309 H VAL 44 H VAL 44 6.361 4.096 -9.043
310 HA VAL 44 HA VAL 44 4.758 3.963 -11.428
311 HB VAL 44 HB VAL 44 3.390 5.973 -10.791
312 HG11 VAL 44 HG11 VAL 44 2.928 3.463 -9.185
313 HG12 VAL 44 HG12 VAL 44 2.422 3.739 -10.851
314 HG13 VAL 44 HG13 VAL 44 1.718 4.693 -9.546
315 HG21 VAL 44 HG21 VAL 44 4.999 5.800 -8.438
316 HG22 VAL 44 HG22 VAL 44 3.302 5.609 -7.993
317 HG23 VAL 44 HG23 VAL 44 3.824 7.033 -8.891
318 H THR 45 H THR 45 7.209 4.294 -11.787
319 HA THR 45 HA THR 45 8.841 5.602 -12.666
320 HB THR 45 HB THR 45 6.799 7.810 -12.604
321 HG1 THR 45 HG1 THR 45 7.190 5.771 -14.525
322 HG21 THR 45 HG21 THR 45 7.993 8.327 -14.837
323 HG22 THR 45 HG22 THR 45 9.315 7.388 -14.141
324 HG23 THR 45 HG23 THR 45 8.731 8.835 -13.318
325 H ASN 46 H ASN 46 10.092 7.711 -12.247
326 HA ASN 46 HA ASN 46 11.123 9.184 -10.836
327 HB2 ASN 46 HB2 ASN 46 8.573 9.332 -9.931
328 HB3 ASN 46 HB3 ASN 46 9.373 8.682 -8.502
329 HD21 ASN 46 HD21 ASN 46 8.715 11.438 -10.330
330 HD22 ASN 46 HD22 ASN 46 9.729 12.548 -9.479
331 H SER 47 H SER 47 12.755 9.024 -9.284
332 HA SER 47 HA SER 47 14.342 7.954 -8.058
333 HB2 SER 47 HB2 SER 47 11.766 7.045 -6.961
334 HB3 SER 47 HB3 SER 47 13.124 5.978 -6.603
335 HG SER 47 HG SER 47 12.693 7.798 -5.104
336 H VAL 48 H VAL 48 15.119 7.120 -10.139
337 HA VAL 48 HA VAL 48 15.844 5.549 -11.554
338 HB VAL 48 HB VAL 48 16.457 3.344 -10.606
339 HG11 VAL 48 HG11 VAL 48 18.403 4.172 -9.723
340 HG12 VAL 48 HG12 VAL 48 17.576 5.425 -8.797
341 HG13 VAL 48 HG13 VAL 48 17.781 5.607 -10.539
342 HG21 VAL 48 HG21 VAL 48 16.381 2.996 -8.203
343 HG22 VAL 48 HG22 VAL 48 14.751 3.213 -8.836
344 HG23 VAL 48 HG23 VAL 48 15.550 4.535 -7.987
345 H LYS 49 H LYS 49 14.301 5.381 -12.922
346 HA LYS 49 HA LYS 49 11.839 4.476 -12.987
347 HB2 LYS 49 HB2 LYS 49 14.032 4.300 -14.948
348 HB3 LYS 49 HB3 LYS 49 12.628 3.294 -15.280
349 HG2 LYS 49 HG2 LYS 49 11.629 5.056 -16.165
350 HG3 LYS 49 HG3 LYS 49 11.622 5.816 -14.573
351 HD2 LYS 49 HD2 LYS 49 13.728 6.874 -14.999
352 HD3 LYS 49 HD3 LYS 49 13.938 5.967 -16.498
353 HE2 LYS 49 HE2 LYS 49 12.241 7.168 -17.588
354 HE3 LYS 49 HE3 LYS 49 11.600 7.802 -16.073
355 HZ1 LYS 49 HZ1 LYS 49 14.344 8.481 -16.880
356 HZ2 LYS 49 HZ2 LYS 49 13.265 9.354 -15.914
357 HZ3 LYS 49 HZ3 LYS 49 13.044 9.300 -17.591
358 H CY1 50 H CY1 50 14.264 2.112 -14.040
359 HA CY1 50 HA CY1 50 12.637 0.006 -12.785
360 HB2 CY1 50 HB2 CY1 50 13.757 -1.538 -14.362
361 HB3 CY1 50 HB3 CY1 50 12.886 -0.252 -15.192
362 HD2 CY1 50 HD2 CY1 50 13.903 -1.011 -17.032
363 HD3 CY1 50 HD3 CY1 50 15.444 0.224 -17.356
364 HE CY1 50 HE CY1 50 16.483 -2.054 -16.672
365 HM1 CY1 50 HM1 CY1 50 17.538 -3.538 -17.824
366 HM2 CY1 50 HM2 CY1 50 16.993 -3.921 -19.491
367 HM3 CY1 50 HM3 CY1 50 16.245 -4.689 -18.103
368 HN1 NH2 51 HN1 NH2 51 14.568 1.619 -11.319
369 HN2 NH2 51 HN2 NH2 51 15.776 0.530 -10.736
Start of MODEL 11
1 H1 LEU 1 H1 LEU 1 2.341 -3.892 13.699
2 H2 LEU 1 H2 LEU 1 3.377 -2.589 14.115
3 H3 LEU 1 H3 LEU 1 1.678 -2.352 14.058
4 HA LEU 1 HA LEU 1 3.277 -3.853 16.000
5 HB2 LEU 1 HB2 LEU 1 1.558 -1.432 15.909
6 HB3 LEU 1 HB3 LEU 1 1.502 -2.392 17.375
7 HG LEU 1 HG LEU 1 4.162 -2.178 17.126
8 HD11 LEU 1 HD11 LEU 1 2.986 0.068 15.559
9 HD12 LEU 1 HD12 LEU 1 4.459 -0.861 15.273
10 HD13 LEU 1 HD13 LEU 1 4.421 0.362 16.543
11 HD21 LEU 1 HD21 LEU 1 2.582 0.104 18.271
12 HD22 LEU 1 HD22 LEU 1 4.085 -0.605 18.860
13 HD23 LEU 1 HD23 LEU 1 2.572 -1.500 19.005
14 H GLN 2 H GLN 2 0.185 -3.643 14.388
15 HA GLN 2 HA GLN 2 -0.752 -5.929 15.994
16 HB2 GLN 2 HB2 GLN 2 -2.453 -3.733 14.800
17 HB3 GLN 2 HB3 GLN 2 -3.046 -5.115 15.711
18 HG2 GLN 2 HG2 GLN 2 -2.999 -3.707 17.442
19 HG3 GLN 2 HG3 GLN 2 -1.274 -4.069 17.468
20 HE21 GLN 2 HE21 GLN 2 -2.203 -1.744 18.536
21 HE22 GLN 2 HE22 GLN 2 -1.716 -0.407 17.557
22 H MET 3 H MET 3 -0.945 -7.721 14.845
23 HA MET 3 HA MET 3 -1.507 -9.155 13.159
24 HB2 MET 3 HB2 MET 3 -3.369 -7.461 12.715
25 HB3 MET 3 HB3 MET 3 -2.322 -6.822 11.455
26 HG2 MET 3 HG2 MET 3 -3.965 -8.360 10.541
27 HG3 MET 3 HG3 MET 3 -2.327 -8.975 10.329
28 HE1 MET 3 HE1 MET 3 -5.613 -10.310 13.100
29 HE2 MET 3 HE2 MET 3 -5.034 -8.667 12.824
30 HE3 MET 3 HE3 MET 3 -4.280 -9.670 14.064
31 H ALA 4 H ALA 4 0.782 -6.795 13.005
32 HA ALA 4 HA ALA 4 1.772 -7.194 10.374
33 HB1 ALA 4 HB1 ALA 4 2.240 -5.430 12.414
34 HB2 ALA 4 HB2 ALA 4 3.170 -5.539 10.918
35 HB3 ALA 4 HB3 ALA 4 3.731 -6.368 12.370
36 H GLY 5 H GLY 5 1.428 -9.689 10.823
37 HA2 GLY 5 HA2 GLY 5 4.022 -10.869 10.862
38 HA3 GLY 5 HA3 GLY 5 3.149 -11.221 12.349
39 H GLN 6 H GLN 6 1.287 -10.809 9.488
40 HA GLN 6 HA GLN 6 1.362 -13.350 8.405
41 HB2 GLN 6 HB2 GLN 6 -0.398 -13.031 10.756
42 HB3 GLN 6 HB3 GLN 6 -1.152 -13.778 9.353
43 HG2 GLN 6 HG2 GLN 6 -0.231 -15.710 9.884
44 HG3 GLN 6 HG3 GLN 6 1.373 -14.999 9.714
45 HE21 GLN 6 HE21 GLN 6 1.997 -16.483 11.391
46 HE22 GLN 6 HE22 GLN 6 1.701 -16.084 13.046
47 H CYS 7 H CYS 7 1.466 -11.516 6.922
48 HA CYS 7 HA CYS 7 -1.147 -11.100 5.696
49 HB2 CYS 7 HB2 CYS 7 0.668 -8.888 6.646
50 HB3 CYS 7 HB3 CYS 7 -0.527 -8.627 5.381
51 H SER 8 H SER 8 -1.050 -10.775 3.457
52 HA SER 8 HA SER 8 1.057 -11.863 2.046
53 HB2 SER 8 HB2 SER 8 -0.730 -9.671 0.975
54 HB3 SER 8 HB3 SER 8 0.109 -10.916 0.051
55 HG SER 8 HG SER 8 -1.216 -12.429 1.365
56 H GLN 9 H GLN 9 2.889 -11.060 1.088
57 HA GLN 9 HA GLN 9 4.351 -9.190 2.372
58 HB2 GLN 9 HB2 GLN 9 4.856 -10.824 0.292
59 HB3 GLN 9 HB3 GLN 9 4.828 -9.281 -0.550
60 HG2 GLN 9 HG2 GLN 9 6.445 -8.520 1.330
61 HG3 GLN 9 HG3 GLN 9 6.697 -10.248 1.563
62 HE21 GLN 9 HE21 GLN 9 6.299 -8.153 -1.276
63 HE22 GLN 9 HE22 GLN 9 7.731 -8.684 -2.082
64 H ASN 10 H ASN 10 4.557 -7.153 2.552
65 HA ASN 10 HA ASN 10 4.236 -4.943 2.369
66 HB2 ASN 10 HB2 ASN 10 3.752 -5.673 -0.521
67 HB3 ASN 10 HB3 ASN 10 3.811 -4.012 0.064
68 HD21 ASN 10 HD21 ASN 10 5.717 -7.012 0.249
69 HD22 ASN 10 HD22 ASN 10 7.251 -6.241 0.066
70 H GLU 11 H GLU 11 2.045 -6.630 3.186
71 HA GLU 11 HA GLU 11 -0.281 -5.356 2.024
72 HB2 GLU 11 HB2 GLU 11 0.109 -7.709 3.530
73 HB3 GLU 11 HB3 GLU 11 -0.961 -6.674 4.457
74 HG2 GLU 11 HG2 GLU 11 -2.581 -6.634 2.782
75 HG3 GLU 11 HG3 GLU 11 -1.454 -7.200 1.554
76 H TYR 12 H TYR 12 -1.635 -3.813 2.889
77 HA TYR 12 HA TYR 12 -0.390 -2.460 5.224
78 HB2 TYR 12 HB2 TYR 12 -0.880 -0.361 4.398
79 HB3 TYR 12 HB3 TYR 12 -0.369 -1.248 2.972
80 HD1 TYR 12 HD1 TYR 12 -3.349 0.036 4.769
81 HD2 TYR 12 HD2 TYR 12 -1.774 -1.408 1.099
82 HE1 TYR 12 HE1 TYR 12 -5.394 0.754 3.615
83 HE2 TYR 12 HE2 TYR 12 -3.824 -0.714 -0.065
84 HH TYR 12 HH TYR 12 -6.644 0.034 1.460
85 H PHE 13 H PHE 13 -1.410 -2.461 6.986
86 HA PHE 13 HA PHE 13 -4.093 -3.429 7.255
87 HB2 PHE 13 HB2 PHE 13 -2.040 -3.744 8.812
88 HB3 PHE 13 HB3 PHE 13 -2.473 -2.165 9.452
89 HD1 PHE 13 HD1 PHE 13 -3.445 -5.676 9.182
90 HD2 PHE 13 HD2 PHE 13 -4.455 -1.865 10.784
91 HE1 PHE 13 HE1 PHE 13 -5.074 -6.742 10.688
92 HE2 PHE 13 HE2 PHE 13 -6.079 -2.925 12.296
93 HZ PHE 13 HZ PHE 13 -6.391 -5.367 12.249
94 H ASP 14 H ASP 14 -5.803 -2.159 6.835
95 HA ASP 14 HA ASP 14 -5.685 0.719 7.207
96 HB2 ASP 14 HB2 ASP 14 -8.146 -0.889 6.566
97 HB3 ASP 14 HB3 ASP 14 -7.815 0.791 6.175
98 H SER 15 H SER 15 -5.610 1.218 9.357
99 HA SER 15 HA SER 15 -6.761 -0.131 11.452
100 HB2 SER 15 HB2 SER 15 -6.782 2.105 12.644
101 HB3 SER 15 HB3 SER 15 -5.238 1.659 11.919
102 HG SER 15 HG SER 15 -7.144 3.286 10.602
103 H LEU 16 H LEU 16 -8.331 1.755 9.036
104 HA LEU 16 HA LEU 16 -10.762 2.102 10.575
105 HB2 LEU 16 HB2 LEU 16 -9.898 3.723 8.825
106 HB3 LEU 16 HB3 LEU 16 -10.389 2.547 7.620
107 HG LEU 16 HG LEU 16 -12.554 3.135 9.459
108 HD11 LEU 16 HD11 LEU 16 -11.930 5.472 7.740
109 HD12 LEU 16 HD12 LEU 16 -11.083 5.323 9.280
110 HD13 LEU 16 HD13 LEU 16 -12.845 5.383 9.246
111 HD21 LEU 16 HD21 LEU 16 -13.326 2.207 7.544
112 HD22 LEU 16 HD22 LEU 16 -12.053 2.921 6.553
113 HD23 LEU 16 HD23 LEU 16 -13.434 3.898 7.054
114 H LEU 17 H LEU 17 -9.421 -0.147 8.290
115 HA LEU 17 HA LEU 17 -12.006 -1.518 8.031
116 HB2 LEU 17 HB2 LEU 17 -9.462 -1.924 6.471
117 HB3 LEU 17 HB3 LEU 17 -11.025 -2.639 6.120
118 HG LEU 17 HG LEU 17 -10.529 0.335 6.065
119 HD11 LEU 17 HD11 LEU 17 -9.825 0.262 3.928
120 HD12 LEU 17 HD12 LEU 17 -10.826 -1.134 3.531
121 HD13 LEU 17 HD13 LEU 17 -9.293 -1.360 4.374
122 HD21 LEU 17 HD21 LEU 17 -12.580 0.268 4.634
123 HD22 LEU 17 HD22 LEU 17 -12.844 -0.192 6.316
124 HD23 LEU 17 HD23 LEU 17 -12.755 -1.434 5.065
125 H HIS 18 H HIS 18 -8.915 -1.781 9.558
126 HA HIS 18 HA HIS 18 -7.941 -3.429 10.802
127 HB2 HIS 18 HB2 HIS 18 -10.801 -4.381 10.852
128 HB3 HIS 18 HB3 HIS 18 -9.516 -5.140 11.782
129 HD1 HIS 18 HD1 HIS 18 -11.915 -2.381 11.865
130 HD2 HIS 18 HD2 HIS 18 -8.375 -3.380 13.798
131 HE1 HIS 18 HE1 HIS 18 -11.818 -0.902 13.897
132 HE2 HIS 18 HE2 HIS 18 -9.656 -1.506 15.040
133 H ALA 19 H ALA 19 -7.749 -3.653 8.053
134 HA ALA 19 HA ALA 19 -7.363 -6.511 7.739
135 HB1 ALA 19 HB1 ALA 19 -8.955 -6.826 6.227
136 HB2 ALA 19 HB2 ALA 19 -8.342 -5.477 5.260
137 HB3 ALA 19 HB3 ALA 19 -9.531 -5.186 6.538
138 H CYS 20 H CYS 20 -5.303 -6.684 7.218
139 HA CYS 20 HA CYS 20 -3.833 -4.569 6.029
140 HB2 CYS 20 HB2 CYS 20 -1.997 -6.240 5.828
141 HB3 CYS 20 HB3 CYS 20 -2.649 -6.114 7.452
142 H ILE 21 H ILE 21 -4.248 -3.931 4.080
143 HA ILE 21 HA ILE 21 -4.955 -5.853 1.980
144 HB ILE 21 HB ILE 21 -5.296 -2.868 2.092
145 HG12 ILE 21 HG12 ILE 21 -7.638 -4.700 2.120
146 HG13 ILE 21 HG13 ILE 21 -6.687 -4.602 3.597
147 HG21 ILE 21 HG21 ILE 21 -6.632 -4.742 0.155
148 HG22 ILE 21 HG22 ILE 21 -5.098 -3.946 -0.199
149 HG23 ILE 21 HG23 ILE 21 -6.545 -2.984 0.094
150 HD11 ILE 21 HD11 ILE 21 -8.635 -2.781 2.559
151 HD12 ILE 21 HD12 ILE 21 -7.088 -1.962 2.775
152 HD13 ILE 21 HD13 ILE 21 -7.841 -2.797 4.135
153 HA PRO 22 HA PRO 22 -1.134 -5.432 -0.173
154 HB2 PRO 22 HB2 PRO 22 -2.306 -4.931 -2.715
155 HB3 PRO 22 HB3 PRO 22 -1.724 -6.478 -2.096
156 HG2 PRO 22 HG2 PRO 22 -4.480 -5.371 -2.148
157 HG3 PRO 22 HG3 PRO 22 -3.939 -7.059 -2.256
158 HD2 PRO 22 HD2 PRO 22 -5.055 -6.118 -0.006
159 HD3 PRO 22 HD3 PRO 22 -3.689 -7.252 0.063
160 H CYS 23 H CYS 23 0.058 -3.897 -1.551
161 HA CYS 23 HA CYS 23 -0.965 -1.147 -1.118
162 HB2 CYS 23 HB2 CYS 23 1.403 -2.186 -0.088
163 HB3 CYS 23 HB3 CYS 23 1.933 -1.298 -1.516
164 H GLN 24 H GLN 24 0.309 -3.369 -3.435
165 HA GLN 24 HA GLN 24 1.057 -1.504 -5.431
166 HB2 GLN 24 HB2 GLN 24 -0.077 -4.074 -6.351
167 HB3 GLN 24 HB3 GLN 24 1.449 -3.310 -6.774
168 HG2 GLN 24 HG2 GLN 24 2.246 -3.998 -4.459
169 HG3 GLN 24 HG3 GLN 24 0.807 -5.015 -4.394
170 HE21 GLN 24 HE21 GLN 24 3.903 -4.513 -5.876
171 HE22 GLN 24 HE22 GLN 24 4.013 -6.054 -6.650
172 H LEU 25 H LEU 25 -1.923 -3.080 -4.604
173 HA LEU 25 HA LEU 25 -3.402 -2.098 -6.814
174 HB2 LEU 25 HB2 LEU 25 -3.810 -4.022 -4.907
175 HB3 LEU 25 HB3 LEU 25 -4.938 -2.772 -4.418
176 HG LEU 25 HG LEU 25 -6.048 -4.382 -5.844
177 HD11 LEU 25 HD11 LEU 25 -6.841 -2.125 -6.016
178 HD12 LEU 25 HD12 LEU 25 -6.855 -2.852 -7.623
179 HD13 LEU 25 HD13 LEU 25 -5.576 -1.721 -7.177
180 HD21 LEU 25 HD21 LEU 25 -5.186 -4.165 -8.370
181 HD22 LEU 25 HD22 LEU 25 -4.619 -5.414 -7.262
182 HD23 LEU 25 HD23 LEU 25 -3.653 -3.961 -7.522
183 H ARG 26 H ARG 26 -2.025 -0.340 -4.500
184 HA ARG 26 HA ARG 26 -4.255 1.553 -4.409
185 HB2 ARG 26 HB2 ARG 26 -3.025 0.421 -2.177
186 HB3 ARG 26 HB3 ARG 26 -2.334 2.032 -2.294
187 HG2 ARG 26 HG2 ARG 26 -5.237 1.294 -2.045
188 HG3 ARG 26 HG3 ARG 26 -4.230 2.131 -0.864
189 HD2 ARG 26 HD2 ARG 26 -4.319 4.114 -1.986
190 HD3 ARG 26 HD3 ARG 26 -4.493 3.344 -3.555
191 HE ARG 26 HE ARG 26 -6.790 3.232 -3.247
192 HH11 ARG 26 HH11 ARG 26 -5.235 4.384 -0.338
193 HH12 ARG 26 HH12 ARG 26 -6.710 4.937 0.379
194 HH21 ARG 26 HH21 ARG 26 -8.729 3.959 -2.299
195 HH22 ARG 26 HH22 ARG 26 -8.692 4.695 -0.733
196 H CYS 27 H CYS 27 -1.264 1.055 -5.610
197 HA CYS 27 HA CYS 27 -0.576 3.892 -5.667
198 HB2 CYS 27 HB2 CYS 27 1.217 2.447 -4.872
199 HB3 CYS 27 HB3 CYS 27 1.114 1.482 -6.342
200 H SER 28 H SER 28 -2.084 4.488 -7.309
201 HA SER 28 HA SER 28 -1.197 3.855 -9.935
202 HB2 SER 28 HB2 SER 28 -3.769 3.032 -8.800
203 HB3 SER 28 HB3 SER 28 -3.875 3.790 -10.388
204 HG SER 28 HG SER 28 -2.180 2.245 -11.010
205 H SER 29 H SER 29 -0.975 6.218 -8.333
206 HA SER 29 HA SER 29 -1.194 8.482 -8.499
207 HB2 SER 29 HB2 SER 29 -1.296 9.397 -10.637
208 HB3 SER 29 HB3 SER 29 -0.662 7.776 -10.929
209 HG SER 29 HG SER 29 -2.904 8.897 -11.873
210 H ASN 30 H ASN 30 -2.634 10.121 -8.216
211 HA ASN 30 HA ASN 30 -4.597 11.114 -7.620
212 HB2 ASN 30 HB2 ASN 30 -5.416 9.312 -9.851
213 HB3 ASN 30 HB3 ASN 30 -6.688 10.035 -8.870
214 HD21 ASN 30 HD21 ASN 30 -6.858 12.313 -8.796
215 HD22 ASN 30 HD22 ASN 30 -6.218 13.291 -10.067
216 H THR 31 H THR 31 -3.687 9.381 -5.806
217 HA THR 31 HA THR 31 -6.018 8.595 -4.432
218 HB THR 31 HB THR 31 -4.155 6.425 -5.351
219 HG1 THR 31 HG1 THR 31 -6.801 7.102 -6.058
220 HG21 THR 31 HG21 THR 31 -6.615 6.239 -3.635
221 HG22 THR 31 HG22 THR 31 -4.954 5.920 -3.132
222 HG23 THR 31 HG23 THR 31 -5.734 4.871 -4.316
223 HA PRO 32 HA PRO 32 -2.312 10.256 -1.993
224 HB2 PRO 32 HB2 PRO 32 -4.297 10.621 0.069
225 HB3 PRO 32 HB3 PRO 32 -3.393 11.850 -0.818
226 HG2 PRO 32 HG2 PRO 32 -6.108 10.797 -1.285
227 HG3 PRO 32 HG3 PRO 32 -5.409 12.363 -1.752
228 HD2 PRO 32 HD2 PRO 32 -5.895 10.460 -3.618
229 HD3 PRO 32 HD3 PRO 32 -4.437 11.474 -3.725
230 HA PRO 33 HA PRO 33 -2.468 6.131 0.006
231 HB2 PRO 33 HB2 PRO 33 0.216 5.691 -0.773
232 HB3 PRO 33 HB3 PRO 33 -1.237 4.985 -1.485
233 HG2 PRO 33 HG2 PRO 33 0.488 6.764 -2.755
234 HG3 PRO 33 HG3 PRO 33 -1.168 6.394 -3.263
235 HD2 PRO 33 HD2 PRO 33 -0.135 8.723 -1.704
236 HD3 PRO 33 HD3 PRO 33 -1.426 8.660 -2.925
237 H LEU 34 H LEU 34 -2.521 7.350 2.009
238 HA LEU 34 HA LEU 34 -0.128 8.401 3.100
239 HB2 LEU 34 HB2 LEU 34 -2.383 7.393 4.819
240 HB3 LEU 34 HB3 LEU 34 -1.261 8.695 5.150
241 HG LEU 34 HG LEU 34 -2.872 9.194 2.779
242 HD11 LEU 34 HD11 LEU 34 -4.481 9.472 5.232
243 HD12 LEU 34 HD12 LEU 34 -4.314 7.840 4.586
244 HD13 LEU 34 HD13 LEU 34 -4.981 9.124 3.577
245 HD21 LEU 34 HD21 LEU 34 -3.002 10.905 5.181
246 HD22 LEU 34 HD22 LEU 34 -2.738 11.336 3.490
247 HD23 LEU 34 HD23 LEU 34 -1.411 10.685 4.452
248 H THR 35 H THR 35 -1.741 5.274 3.500
249 HA THR 35 HA THR 35 0.481 4.305 5.071
250 HB THR 35 HB THR 35 -1.886 3.657 5.569
251 HG1 THR 35 HG1 THR 35 -0.114 2.344 6.220
252 HG21 THR 35 HG21 THR 35 -3.167 2.322 4.246
253 HG22 THR 35 HG22 THR 35 -1.782 1.658 3.380
254 HG23 THR 35 HG23 THR 35 -2.353 3.288 3.016
255 H CYS 36 H CYS 36 0.000 4.826 1.825
256 HA CYS 36 HA CYS 36 1.663 2.485 1.157
257 HB2 CYS 36 HB2 CYS 36 -0.759 2.869 0.101
258 HB3 CYS 36 HB3 CYS 36 0.184 3.846 -1.013
259 H GLN 37 H GLN 37 1.581 5.873 1.263
260 HA GLN 37 HA GLN 37 2.949 6.857 -0.824
261 HB2 GLN 37 HB2 GLN 37 4.207 8.327 0.869
262 HB3 GLN 37 HB3 GLN 37 2.447 8.370 0.944
263 HG2 GLN 37 HG2 GLN 37 2.728 6.528 2.738
264 HG3 GLN 37 HG3 GLN 37 4.393 7.099 2.818
265 HE21 GLN 37 HE21 GLN 37 3.146 7.333 5.074
266 HE22 GLN 37 HE22 GLN 37 2.625 8.949 5.392
267 H ARG 38 H ARG 38 4.497 5.276 1.908
268 HA ARG 38 HA ARG 38 7.127 5.397 0.998
269 HB2 ARG 38 HB2 ARG 38 5.676 4.029 3.087
270 HB3 ARG 38 HB3 ARG 38 6.880 2.958 2.382
271 HG2 ARG 38 HG2 ARG 38 7.829 5.672 2.977
272 HG3 ARG 38 HG3 ARG 38 7.365 4.709 4.381
273 HD2 ARG 38 HD2 ARG 38 8.788 2.857 3.251
274 HD3 ARG 38 HD3 ARG 38 9.492 4.190 2.344
275 HE ARG 38 HE ARG 38 10.004 3.530 5.070
276 HH11 ARG 38 HH11 ARG 38 9.752 6.220 2.863
277 HH12 ARG 38 HH12 ARG 38 10.799 7.240 3.791
278 HH21 ARG 38 HH21 ARG 38 11.382 4.870 6.292
279 HH22 ARG 38 HH22 ARG 38 11.725 6.475 5.737
280 H TYR 39 H TYR 39 4.619 2.973 0.393
281 HA TYR 39 HA TYR 39 6.362 1.319 -1.138
282 HB2 TYR 39 HB2 TYR 39 4.479 0.368 0.141
283 HB3 TYR 39 HB3 TYR 39 3.351 1.212 -0.913
284 HD1 TYR 39 HD1 TYR 39 3.593 0.694 -3.470
285 HD2 TYR 39 HD2 TYR 39 5.098 -1.805 -0.374
286 HE1 TYR 39 HE1 TYR 39 3.647 -1.201 -5.034
287 HE2 TYR 39 HE2 TYR 39 5.159 -3.707 -1.931
288 HH TYR 39 HH TYR 39 5.232 -4.153 -4.289
289 H CYS 40 H CYS 40 3.673 3.502 -1.949
290 HA CYS 40 HA CYS 40 3.751 3.018 -4.708
291 HB2 CYS 40 HB2 CYS 40 1.933 4.281 -3.483
292 HB3 CYS 40 HB3 CYS 40 3.017 5.669 -3.452
293 H ASN 41 H ASN 41 5.525 5.352 -2.723
294 HA ASN 41 HA ASN 41 6.841 6.532 -4.927
295 HB2 ASN 41 HB2 ASN 41 7.610 8.001 -3.406
296 HB3 ASN 41 HB3 ASN 41 6.631 7.136 -2.231
297 HD21 ASN 41 HD21 ASN 41 7.865 4.966 -1.577
298 HD22 ASN 41 HD22 ASN 41 9.476 5.246 -1.018
299 H ALA 42 H ALA 42 7.199 3.626 -3.281
300 HA ALA 42 HA ALA 42 9.883 3.217 -4.405
301 HB1 ALA 42 HB1 ALA 42 8.627 1.381 -2.398
302 HB2 ALA 42 HB2 ALA 42 9.414 2.875 -1.887
303 HB3 ALA 42 HB3 ALA 42 10.335 1.642 -2.749
304 H SER 43 H SER 43 7.294 3.113 -5.778
305 HA SER 43 HA SER 43 7.697 0.578 -7.109
306 HB2 SER 43 HB2 SER 43 5.988 0.217 -5.257
307 HB3 SER 43 HB3 SER 43 4.917 1.280 -6.170
308 HG SER 43 HG SER 43 5.180 -0.190 -7.947
309 H VAL 44 H VAL 44 7.475 3.756 -7.420
310 HA VAL 44 HA VAL 44 6.740 3.603 -10.178
311 HB VAL 44 HB VAL 44 4.507 3.808 -9.079
312 HG11 VAL 44 HG11 VAL 44 5.831 5.737 -7.514
313 HG12 VAL 44 HG12 VAL 44 4.141 5.245 -7.429
314 HG13 VAL 44 HG13 VAL 44 4.614 6.598 -8.455
315 HG21 VAL 44 HG21 VAL 44 5.221 6.277 -10.649
316 HG22 VAL 44 HG22 VAL 44 3.665 5.451 -10.581
317 HG23 VAL 44 HG23 VAL 44 5.039 4.680 -11.373
318 H THR 45 H THR 45 9.124 4.218 -9.436
319 HA THR 45 HA THR 45 10.784 5.787 -9.275
320 HB THR 45 HB THR 45 10.140 5.892 -11.643
321 HG1 THR 45 HG1 THR 45 11.299 7.652 -12.027
322 HG21 THR 45 HG21 THR 45 8.835 7.910 -12.394
323 HG22 THR 45 HG22 THR 45 8.270 8.046 -10.729
324 HG23 THR 45 HG23 THR 45 7.901 6.601 -11.669
325 H ASN 46 H ASN 46 10.470 8.657 -9.798
326 HA ASN 46 HA ASN 46 10.043 10.618 -8.716
327 HB2 ASN 46 HB2 ASN 46 7.671 9.348 -8.523
328 HB3 ASN 46 HB3 ASN 46 8.080 9.469 -6.814
329 HD21 ASN 46 HD21 ASN 46 7.635 11.318 -9.769
330 HD22 ASN 46 HD22 ASN 46 7.217 12.805 -8.994
331 H SER 47 H SER 47 10.811 11.693 -6.890
332 HA SER 47 HA SER 47 12.216 11.961 -5.116
333 HB2 SER 47 HB2 SER 47 10.727 9.623 -3.913
334 HB3 SER 47 HB3 SER 47 11.498 10.963 -3.064
335 HG SER 47 HG SER 47 9.837 12.219 -3.506
336 H VAL 48 H VAL 48 14.192 11.399 -5.964
337 HA VAL 48 HA VAL 48 15.739 9.510 -4.787
338 HB VAL 48 HB VAL 48 16.048 7.999 -6.911
339 HG11 VAL 48 HG11 VAL 48 15.509 6.391 -5.481
340 HG12 VAL 48 HG12 VAL 48 13.817 6.886 -5.457
341 HG13 VAL 48 HG13 VAL 48 14.977 7.659 -4.376
342 HG21 VAL 48 HG21 VAL 48 13.101 7.971 -7.028
343 HG22 VAL 48 HG22 VAL 48 14.290 7.693 -8.300
344 HG23 VAL 48 HG23 VAL 48 13.894 9.340 -7.806
345 H LYS 49 H LYS 49 17.304 10.918 -4.936
346 HA LYS 49 HA LYS 49 19.081 12.082 -5.756
347 HB2 LYS 49 HB2 LYS 49 18.600 9.988 -7.783
348 HB3 LYS 49 HB3 LYS 49 19.545 11.365 -8.330
349 HG2 LYS 49 HG2 LYS 49 21.063 11.011 -6.389
350 HG3 LYS 49 HG3 LYS 49 20.169 9.533 -6.027
351 HD2 LYS 49 HD2 LYS 49 20.795 8.564 -8.126
352 HD3 LYS 49 HD3 LYS 49 21.502 10.084 -8.675
353 HE2 LYS 49 HE2 LYS 49 23.147 9.923 -6.820
354 HE3 LYS 49 HE3 LYS 49 22.486 8.338 -6.422
355 HZ1 LYS 49 HZ1 LYS 49 23.842 7.466 -7.920
356 HZ2 LYS 49 HZ2 LYS 49 24.414 8.996 -8.359
357 HZ3 LYS 49 HZ3 LYS 49 23.069 8.340 -9.147
358 H CY1 50 HN CY1 50 14.751 9.609 -11.458
359 HA CY1 50 HA CY1 50 12.299 11.155 -12.160
360 HB2 CY1 50 HB2 CY1 50 14.999 12.404 -11.532
361 HB3 CY1 50 HB3 CY1 50 13.853 11.934 -10.260
362 HD2 CY1 50 HD2 CY1 50 14.702 14.331 -13.141
363 HD3 CY1 50 HD3 CY1 50 14.896 15.259 -11.611
364 HE CY1 50 HE CY1 50 12.865 15.782 -13.753
365 HM1 CY1 50 HM1 CY1 50 11.491 17.582 -13.462
366 HM2 CY1 50 HM2 CY1 50 12.859 18.655 -13.827
367 HM3 CY1 50 HM3 CY1 50 11.962 18.838 -12.304
368 HN1 NH2 51 HN1 NH2 51 12.199 12.554 -13.915
369 HN2 NH2 51 HN2 NH2 51 13.241 12.289 -15.307
Start of MODEL 12
1 H1 LEU 1 H1 LEU 1 1.513 4.482 12.363
2 H2 LEU 1 H2 LEU 1 1.242 3.464 13.718
3 H3 LEU 1 H3 LEU 1 1.408 5.159 13.934
4 HA LEU 1 HA LEU 1 -0.820 4.854 14.083
5 HB2 LEU 1 HB2 LEU 1 0.007 5.520 11.268
6 HB3 LEU 1 HB3 LEU 1 -1.669 5.604 11.774
7 HG LEU 1 HG LEU 1 -0.807 7.807 11.905
8 HD11 LEU 1 HD11 LEU 1 -2.051 6.702 13.955
9 HD12 LEU 1 HD12 LEU 1 -1.455 8.361 14.017
10 HD13 LEU 1 HD13 LEU 1 -0.525 7.062 14.764
11 HD21 LEU 1 HD21 LEU 1 1.287 8.382 12.482
12 HD22 LEU 1 HD22 LEU 1 1.633 6.673 12.216
13 HD23 LEU 1 HD23 LEU 1 1.328 7.268 13.848
14 H GLN 2 H GLN 2 0.288 3.109 11.184
15 HA GLN 2 HA GLN 2 -1.874 1.159 11.641
16 HB2 GLN 2 HB2 GLN 2 -0.600 1.917 9.006
17 HB3 GLN 2 HB3 GLN 2 -1.902 0.758 9.230
18 HG2 GLN 2 HG2 GLN 2 -2.000 3.732 9.645
19 HG3 GLN 2 HG3 GLN 2 -2.852 2.780 8.428
20 HE21 GLN 2 HE21 GLN 2 -3.769 0.695 9.991
21 HE22 GLN 2 HE22 GLN 2 -4.941 1.298 11.109
22 H MET 3 H MET 3 -1.414 -0.993 11.512
23 HA MET 3 HA MET 3 0.456 -2.501 10.482
24 HB2 MET 3 HB2 MET 3 1.908 -0.713 12.199
25 HB3 MET 3 HB3 MET 3 2.083 -2.354 12.792
26 HG2 MET 3 HG2 MET 3 3.845 -1.596 11.198
27 HG3 MET 3 HG3 MET 3 3.031 -3.099 10.771
28 HE1 MET 3 HE1 MET 3 4.261 0.119 9.906
29 HE2 MET 3 HE2 MET 3 3.635 0.526 8.308
30 HE3 MET 3 HE3 MET 3 4.711 -0.856 8.508
31 H ALA 4 H ALA 4 -0.524 -1.782 13.813
32 HA ALA 4 HA ALA 4 -0.421 -4.141 15.061
33 HB1 ALA 4 HB1 ALA 4 -1.400 -2.691 16.441
34 HB2 ALA 4 HB2 ALA 4 -2.917 -3.305 15.781
35 HB3 ALA 4 HB3 ALA 4 -2.192 -1.839 15.116
36 H GLY 5 H GLY 5 -0.767 -6.103 14.158
37 HA2 GLY 5 HA2 GLY 5 -2.999 -7.474 13.983
38 HA3 GLY 5 HA3 GLY 5 -3.157 -6.530 12.505
39 H GLN 6 H GLN 6 -0.015 -6.768 12.485
40 HA GLN 6 HA GLN 6 1.551 -8.103 11.544
41 HB2 GLN 6 HB2 GLN 6 -0.351 -10.104 12.610
42 HB3 GLN 6 HB3 GLN 6 0.652 -10.660 11.279
43 HG2 GLN 6 HG2 GLN 6 2.365 -10.945 12.638
44 HG3 GLN 6 HG3 GLN 6 2.285 -9.260 13.151
45 HE21 GLN 6 HE21 GLN 6 0.978 -12.473 13.754
46 HE22 GLN 6 HE22 GLN 6 0.601 -12.208 15.419
47 H CYS 7 H CYS 7 0.709 -6.669 9.869
48 HA CYS 7 HA CYS 7 -0.969 -7.682 7.802
49 HB2 CYS 7 HB2 CYS 7 1.001 -5.389 7.783
50 HB3 CYS 7 HB3 CYS 7 -0.155 -5.718 6.498
51 H SER 8 H SER 8 -0.486 -8.576 5.845
52 HA SER 8 HA SER 8 1.857 -10.124 5.617
53 HB2 SER 8 HB2 SER 8 0.098 -9.255 3.316
54 HB3 SER 8 HB3 SER 8 1.085 -10.711 3.426
55 HG SER 8 HG SER 8 -0.300 -11.411 5.118
56 H GLN 9 H GLN 9 3.562 -9.892 4.044
57 HA GLN 9 HA GLN 9 4.859 -7.491 4.195
58 HB2 GLN 9 HB2 GLN 9 5.338 -9.998 2.970
59 HB3 GLN 9 HB3 GLN 9 5.648 -8.769 1.752
60 HG2 GLN 9 HG2 GLN 9 7.706 -9.081 2.776
61 HG3 GLN 9 HG3 GLN 9 7.072 -7.623 3.538
62 HE21 GLN 9 HE21 GLN 9 9.027 -9.675 4.438
63 HE22 GLN 9 HE22 GLN 9 8.444 -10.205 5.975
64 H ASN 10 H ASN 10 4.819 -5.638 3.251
65 HA ASN 10 HA ASN 10 4.271 -3.929 1.906
66 HB2 ASN 10 HB2 ASN 10 4.186 -6.213 -0.019
67 HB3 ASN 10 HB3 ASN 10 3.605 -4.634 -0.538
68 HD21 ASN 10 HD21 ASN 10 5.273 -2.885 0.555
69 HD22 ASN 10 HD22 ASN 10 6.898 -3.146 0.028
70 H GLU 11 H GLU 11 2.269 -5.232 3.554
71 HA GLU 11 HA GLU 11 -0.123 -4.576 1.977
72 HB2 GLU 11 HB2 GLU 11 0.343 -6.742 3.660
73 HB3 GLU 11 HB3 GLU 11 -0.749 -5.698 4.555
74 HG2 GLU 11 HG2 GLU 11 -2.397 -5.822 2.892
75 HG3 GLU 11 HG3 GLU 11 -1.269 -6.476 1.707
76 H TYR 12 H TYR 12 -1.712 -3.149 2.677
77 HA TYR 12 HA TYR 12 -0.683 -1.385 4.831
78 HB2 TYR 12 HB2 TYR 12 -0.983 0.417 3.594
79 HB3 TYR 12 HB3 TYR 12 -1.137 -0.660 2.219
80 HD1 TYR 12 HD1 TYR 12 -3.599 -1.490 1.747
81 HD2 TYR 12 HD2 TYR 12 -2.637 2.001 3.996
82 HE1 TYR 12 HE1 TYR 12 -5.844 -0.596 1.313
83 HE2 TYR 12 HE2 TYR 12 -4.894 2.881 3.581
84 HH TYR 12 HH TYR 12 -6.989 1.559 1.262
85 H PHE 13 H PHE 13 -1.756 -1.218 6.558
86 HA PHE 13 HA PHE 13 -4.326 -2.494 6.869
87 HB2 PHE 13 HB2 PHE 13 -2.397 -2.528 8.557
88 HB3 PHE 13 HB3 PHE 13 -2.842 -0.877 8.947
89 HD1 PHE 13 HD1 PHE 13 -5.653 -0.793 9.171
90 HD2 PHE 13 HD2 PHE 13 -3.033 -3.986 10.200
91 HE1 PHE 13 HE1 PHE 13 -7.304 -1.622 10.786
92 HE2 PHE 13 HE2 PHE 13 -4.686 -4.819 11.815
93 HZ PHE 13 HZ PHE 13 -6.823 -3.638 12.110
94 H ASP 14 H ASP 14 -5.973 -1.351 5.984
95 HA ASP 14 HA ASP 14 -6.096 1.536 6.277
96 HB2 ASP 14 HB2 ASP 14 -6.926 0.361 4.229
97 HB3 ASP 14 HB3 ASP 14 -8.218 -0.326 5.205
98 H SER 15 H SER 15 -6.357 2.092 8.375
99 HA SER 15 HA SER 15 -7.757 0.808 10.351
100 HB2 SER 15 HB2 SER 15 -7.831 2.924 11.531
101 HB3 SER 15 HB3 SER 15 -6.302 2.820 10.657
102 HG SER 15 HG SER 15 -8.613 4.300 9.953
103 H LEU 16 H LEU 16 -9.004 2.564 7.651
104 HA LEU 16 HA LEU 16 -11.641 2.927 8.767
105 HB2 LEU 16 HB2 LEU 16 -10.325 4.211 6.823
106 HB3 LEU 16 HB3 LEU 16 -11.182 3.044 5.835
107 HG LEU 16 HG LEU 16 -12.362 5.207 6.023
108 HD11 LEU 16 HD11 LEU 16 -14.365 4.197 5.904
109 HD12 LEU 16 HD12 LEU 16 -14.177 3.406 7.470
110 HD13 LEU 16 HD13 LEU 16 -13.414 2.719 6.037
111 HD21 LEU 16 HD21 LEU 16 -13.427 4.838 8.666
112 HD22 LEU 16 HD22 LEU 16 -12.636 6.250 7.964
113 HD23 LEU 16 HD23 LEU 16 -11.670 4.989 8.729
114 H LEU 17 H LEU 17 -9.945 0.546 6.896
115 HA LEU 17 HA LEU 17 -12.421 -0.911 6.320
116 HB2 LEU 17 HB2 LEU 17 -9.597 -1.440 5.404
117 HB3 LEU 17 HB3 LEU 17 -11.038 -2.275 4.846
118 HG LEU 17 HG LEU 17 -10.577 0.681 4.456
119 HD11 LEU 17 HD11 LEU 17 -9.444 0.322 2.550
120 HD12 LEU 17 HD12 LEU 17 -10.381 -1.114 2.140
121 HD13 LEU 17 HD13 LEU 17 -9.049 -1.229 3.290
122 HD21 LEU 17 HD21 LEU 17 -12.785 0.526 4.050
123 HD22 LEU 17 HD22 LEU 17 -12.727 -1.220 3.803
124 HD23 LEU 17 HD23 LEU 17 -12.256 -0.128 2.501
125 H HIS 18 H HIS 18 -9.594 -1.015 8.354
126 HA HIS 18 HA HIS 18 -8.956 -2.432 10.020
127 HB2 HIS 18 HB2 HIS 18 -11.754 -3.506 9.675
128 HB3 HIS 18 HB3 HIS 18 -10.667 -3.948 10.982
129 HD1 HIS 18 HD1 HIS 18 -13.001 -1.299 9.875
130 HD2 HIS 18 HD2 HIS 18 -10.201 -1.878 12.890
131 HE1 HIS 18 HE1 HIS 18 -13.436 0.521 11.555
132 HE2 HIS 18 HE2 HIS 18 -11.663 0.213 13.317
133 H ALA 19 H ALA 19 -7.935 -3.034 7.728
134 HA ALA 19 HA ALA 19 -7.454 -5.810 7.791
135 HB1 ALA 19 HB1 ALA 19 -8.185 -5.473 5.096
136 HB2 ALA 19 HB2 ALA 19 -9.547 -4.905 6.069
137 HB3 ALA 19 HB3 ALA 19 -8.925 -6.540 6.295
138 H CYS 20 H CYS 20 -5.622 -6.284 6.769
139 HA CYS 20 HA CYS 20 -4.059 -4.059 5.790
140 HB2 CYS 20 HB2 CYS 20 -3.168 -6.945 6.047
141 HB3 CYS 20 HB3 CYS 20 -2.140 -5.527 5.892
142 H ILE 21 H ILE 21 -4.317 -3.515 3.779
143 HA ILE 21 HA ILE 21 -4.898 -5.556 1.734
144 HB ILE 21 HB ILE 21 -5.470 -2.621 1.912
145 HG12 ILE 21 HG12 ILE 21 -7.833 -3.465 1.503
146 HG13 ILE 21 HG13 ILE 21 -7.194 -5.090 1.731
147 HG21 ILE 21 HG21 ILE 21 -6.239 -2.507 -0.292
148 HG22 ILE 21 HG22 ILE 21 -6.249 -4.257 -0.479
149 HG23 ILE 21 HG23 ILE 21 -4.719 -3.385 -0.425
150 HD11 ILE 21 HD11 ILE 21 -6.796 -2.976 3.801
151 HD12 ILE 21 HD12 ILE 21 -6.749 -4.730 3.973
152 HD13 ILE 21 HD13 ILE 21 -8.289 -3.910 3.717
153 HA PRO 22 HA PRO 22 -0.991 -4.882 -0.210
154 HB2 PRO 22 HB2 PRO 22 -1.781 -5.089 -2.857
155 HB3 PRO 22 HB3 PRO 22 -1.391 -6.461 -1.815
156 HG2 PRO 22 HG2 PRO 22 -4.059 -5.305 -2.513
157 HG3 PRO 22 HG3 PRO 22 -3.579 -7.008 -2.355
158 HD2 PRO 22 HD2 PRO 22 -4.949 -5.771 -0.402
159 HD3 PRO 22 HD3 PRO 22 -3.672 -6.944 -0.022
160 H CYS 23 H CYS 23 0.104 -3.101 -0.794
161 HA CYS 23 HA CYS 23 -1.305 -0.637 -1.100
162 HB2 CYS 23 HB2 CYS 23 1.621 -0.861 -1.715
163 HB3 CYS 23 HB3 CYS 23 0.745 0.432 -0.905
164 H GLN 24 H GLN 24 0.109 -2.905 -3.332
165 HA GLN 24 HA GLN 24 0.380 -1.165 -5.541
166 HB2 GLN 24 HB2 GLN 24 -0.320 -3.993 -6.085
167 HB3 GLN 24 HB3 GLN 24 0.956 -3.002 -6.775
168 HG2 GLN 24 HG2 GLN 24 2.111 -3.214 -4.515
169 HG3 GLN 24 HG3 GLN 24 0.945 -4.491 -4.177
170 HE21 GLN 24 HE21 GLN 24 3.496 -3.480 -6.373
171 HE22 GLN 24 HE22 GLN 24 3.942 -5.069 -6.885
172 H LEU 25 H LEU 25 -2.176 -3.390 -4.631
173 HA LEU 25 HA LEU 25 -3.899 -2.652 -6.754
174 HB2 LEU 25 HB2 LEU 25 -3.853 -4.815 -5.321
175 HB3 LEU 25 HB3 LEU 25 -4.858 -3.902 -4.211
176 HG LEU 25 HG LEU 25 -6.029 -3.580 -6.753
177 HD11 LEU 25 HD11 LEU 25 -5.986 -6.491 -6.348
178 HD12 LEU 25 HD12 LEU 25 -4.501 -5.792 -6.991
179 HD13 LEU 25 HD13 LEU 25 -6.028 -5.548 -7.838
180 HD21 LEU 25 HD21 LEU 25 -7.404 -3.584 -4.876
181 HD22 LEU 25 HD22 LEU 25 -6.718 -5.085 -4.255
182 HD23 LEU 25 HD23 LEU 25 -7.778 -5.117 -5.663
183 H ARG 26 H ARG 26 -2.993 -0.936 -4.071
184 HA ARG 26 HA ARG 26 -5.497 0.579 -4.132
185 HB2 ARG 26 HB2 ARG 26 -4.762 -0.831 -1.958
186 HB3 ARG 26 HB3 ARG 26 -3.949 0.695 -1.628
187 HG2 ARG 26 HG2 ARG 26 -5.911 1.206 -0.658
188 HG3 ARG 26 HG3 ARG 26 -6.378 1.601 -2.313
189 HD2 ARG 26 HD2 ARG 26 -6.734 -1.203 -1.825
190 HD3 ARG 26 HD3 ARG 26 -7.564 -0.264 -0.589
191 HE ARG 26 HE ARG 26 -8.286 0.971 -2.892
192 HH11 ARG 26 HH11 ARG 26 -8.410 -2.348 -1.826
193 HH12 ARG 26 HH12 ARG 26 -9.798 -2.735 -2.786
194 HH21 ARG 26 HH21 ARG 26 -10.109 0.465 -4.156
195 HH22 ARG 26 HH22 ARG 26 -10.762 -1.137 -4.111
196 H CYS 27 H CYS 27 -2.412 0.714 -4.928
197 HA CYS 27 HA CYS 27 -1.115 2.883 -3.999
198 HB2 CYS 27 HB2 CYS 27 -0.947 1.459 -6.441
199 HB3 CYS 27 HB3 CYS 27 -1.043 3.159 -6.870
200 H SER 28 H SER 28 -4.087 3.059 -5.828
201 HA SER 28 HA SER 28 -4.146 5.872 -5.348
202 HB2 SER 28 HB2 SER 28 -4.160 4.569 -7.984
203 HB3 SER 28 HB3 SER 28 -5.361 5.842 -7.764
204 HG SER 28 HG SER 28 -3.061 6.349 -8.512
205 H SER 29 H SER 29 -5.458 4.354 -3.700
206 HA SER 29 HA SER 29 -8.162 5.092 -4.038
207 HB2 SER 29 HB2 SER 29 -7.394 2.268 -4.658
208 HB3 SER 29 HB3 SER 29 -8.921 2.573 -3.830
209 HG SER 29 HG SER 29 -8.205 3.945 -6.194
210 H ASN 30 H ASN 30 -9.361 4.814 -2.156
211 HA ASN 30 HA ASN 30 -9.653 4.809 0.104
212 HB2 ASN 30 HB2 ASN 30 -8.126 2.261 -0.366
213 HB3 ASN 30 HB3 ASN 30 -8.626 2.732 1.256
214 HD21 ASN 30 HD21 ASN 30 -11.014 3.465 1.309
215 HD22 ASN 30 HD22 ASN 30 -12.123 2.405 0.514
216 H THR 31 H THR 31 -7.204 6.111 -1.074
217 HA THR 31 HA THR 31 -5.123 6.893 -0.442
218 HB THR 31 HB THR 31 -6.795 8.489 0.384
219 HG1 THR 31 HG1 THR 31 -4.468 8.720 0.801
220 HG21 THR 31 HG21 THR 31 -7.717 6.782 2.122
221 HG22 THR 31 HG22 THR 31 -7.722 8.508 2.475
222 HG23 THR 31 HG23 THR 31 -6.471 7.472 3.161
223 HA PRO 32 HA PRO 32 -3.565 3.870 2.587
224 HB2 PRO 32 HB2 PRO 32 -2.188 2.296 0.987
225 HB3 PRO 32 HB3 PRO 32 -3.953 2.289 0.888
226 HG2 PRO 32 HG2 PRO 32 -1.959 3.491 -0.957
227 HG3 PRO 32 HG3 PRO 32 -3.553 2.798 -1.312
228 HD2 PRO 32 HD2 PRO 32 -2.910 5.608 -0.883
229 HD3 PRO 32 HD3 PRO 32 -4.514 4.904 -1.200
230 HA PRO 33 HA PRO 33 0.433 6.264 1.889
231 HB2 PRO 33 HB2 PRO 33 0.131 8.492 3.240
232 HB3 PRO 33 HB3 PRO 33 -0.693 8.294 1.687
233 HG2 PRO 33 HG2 PRO 33 -1.792 7.980 4.461
234 HG3 PRO 33 HG3 PRO 33 -2.494 8.840 3.077
235 HD2 PRO 33 HD2 PRO 33 -3.151 6.256 3.810
236 HD3 PRO 33 HD3 PRO 33 -3.352 6.936 2.184
237 H LEU 34 H LEU 34 2.003 7.129 3.460
238 HA LEU 34 HA LEU 34 3.333 6.908 5.251
239 HB2 LEU 34 HB2 LEU 34 1.226 5.956 7.105
240 HB3 LEU 34 HB3 LEU 34 2.464 7.168 7.337
241 HG LEU 34 HG LEU 34 0.564 8.129 5.409
242 HD11 LEU 34 HD11 LEU 34 -1.450 8.149 6.626
243 HD12 LEU 34 HD12 LEU 34 -0.676 7.496 8.070
244 HD13 LEU 34 HD13 LEU 34 -0.899 6.474 6.650
245 HD21 LEU 34 HD21 LEU 34 0.870 10.046 6.540
246 HD22 LEU 34 HD22 LEU 34 2.190 9.164 7.308
247 HD23 LEU 34 HD23 LEU 34 0.625 9.281 8.111
248 H THR 35 H THR 35 0.937 4.289 5.172
249 HA THR 35 HA THR 35 2.876 2.392 6.109
250 HB THR 35 HB THR 35 0.660 1.969 6.799
251 HG1 THR 35 HG1 THR 35 1.847 0.134 5.866
252 HG21 THR 35 HG21 THR 35 -0.668 3.257 5.334
253 HG22 THR 35 HG22 THR 35 -1.188 1.584 5.163
254 HG23 THR 35 HG23 THR 35 -0.157 2.314 3.934
255 H CYS 36 H CYS 36 2.370 3.929 3.187
256 HA CYS 36 HA CYS 36 4.127 2.210 1.796
257 HB2 CYS 36 HB2 CYS 36 1.295 1.538 1.643
258 HB3 CYS 36 HB3 CYS 36 2.018 1.793 0.059
259 H GLN 37 H GLN 37 3.713 5.058 2.235
260 HA GLN 37 HA GLN 37 2.773 6.208 -0.209
261 HB2 GLN 37 HB2 GLN 37 3.584 7.157 2.357
262 HB3 GLN 37 HB3 GLN 37 4.511 8.020 1.139
263 HG2 GLN 37 HG2 GLN 37 1.891 7.996 0.185
264 HG3 GLN 37 HG3 GLN 37 1.759 8.331 1.910
265 HE21 GLN 37 HE21 GLN 37 3.277 10.032 2.726
266 HE22 GLN 37 HE22 GLN 37 3.518 11.419 1.725
267 H ARG 38 H ARG 38 5.883 5.310 1.084
268 HA ARG 38 HA ARG 38 7.373 6.459 -1.088
269 HB2 ARG 38 HB2 ARG 38 7.972 4.979 1.390
270 HB3 ARG 38 HB3 ARG 38 9.080 4.659 0.062
271 HG2 ARG 38 HG2 ARG 38 9.890 6.801 0.035
272 HG3 ARG 38 HG3 ARG 38 8.415 7.483 0.725
273 HD2 ARG 38 HD2 ARG 38 9.048 7.049 2.857
274 HD3 ARG 38 HD3 ARG 38 9.925 5.591 2.418
275 HE ARG 38 HE ARG 38 11.734 7.038 1.620
276 HH11 ARG 38 HH11 ARG 38 9.372 8.480 3.763
277 HH12 ARG 38 HH12 ARG 38 10.441 9.736 4.286
278 HH21 ARG 38 HH21 ARG 38 13.126 8.692 2.315
279 HH22 ARG 38 HH22 ARG 38 12.566 9.858 3.466
280 H TYR 39 H TYR 39 6.221 3.252 -0.172
281 HA TYR 39 HA TYR 39 7.483 1.880 -2.292
282 HB2 TYR 39 HB2 TYR 39 6.671 0.822 -0.162
283 HB3 TYR 39 HB3 TYR 39 5.029 0.994 -0.774
284 HD1 TYR 39 HD1 TYR 39 4.341 -0.259 -2.818
285 HD2 TYR 39 HD2 TYR 39 8.089 -0.928 -0.919
286 HE1 TYR 39 HE1 TYR 39 4.568 -2.385 -4.031
287 HE2 TYR 39 HE2 TYR 39 8.327 -3.058 -2.125
288 HH TYR 39 HH TYR 39 7.408 -4.475 -3.579
289 H CYS 40 H CYS 40 4.337 3.429 -1.950
290 HA CYS 40 HA CYS 40 3.137 2.306 -4.225
291 HB2 CYS 40 HB2 CYS 40 1.850 3.615 -2.585
292 HB3 CYS 40 HB3 CYS 40 2.699 5.077 -3.082
293 H ASN 41 H ASN 41 5.077 5.262 -3.876
294 HA ASN 41 HA ASN 41 4.971 5.949 -6.594
295 HB2 ASN 41 HB2 ASN 41 6.050 7.790 -5.892
296 HB3 ASN 41 HB3 ASN 41 6.042 7.090 -4.280
297 HD21 ASN 41 HD21 ASN 41 7.868 5.312 -4.110
298 HD22 ASN 41 HD22 ASN 41 9.429 5.868 -4.600
299 H ALA 42 H ALA 42 6.622 3.537 -4.936
300 HA ALA 42 HA ALA 42 8.430 3.094 -7.207
301 HB1 ALA 42 HB1 ALA 42 9.923 1.997 -5.802
302 HB2 ALA 42 HB2 ALA 42 8.683 1.645 -4.598
303 HB3 ALA 42 HB3 ALA 42 9.303 3.288 -4.771
304 H SER 43 H SER 43 5.569 2.490 -7.003
305 HA SER 43 HA SER 43 5.601 -0.070 -8.212
306 HB2 SER 43 HB2 SER 43 5.757 -0.554 -5.678
307 HB3 SER 43 HB3 SER 43 4.071 -0.041 -5.622
308 HG SER 43 HG SER 43 3.768 -1.653 -7.363
309 H VAL 44 H VAL 44 4.580 2.709 -8.563
310 HA VAL 44 HA VAL 44 1.730 2.135 -8.837
311 HB VAL 44 HB VAL 44 2.327 4.143 -7.452
312 HG11 VAL 44 HG11 VAL 44 3.904 4.749 -9.795
313 HG12 VAL 44 HG12 VAL 44 3.947 5.474 -8.190
314 HG13 VAL 44 HG13 VAL 44 2.810 6.074 -9.397
315 HG21 VAL 44 HG21 VAL 44 0.146 4.172 -8.243
316 HG22 VAL 44 HG22 VAL 44 0.649 4.360 -9.922
317 HG23 VAL 44 HG23 VAL 44 0.789 5.716 -8.803
318 H THR 45 H THR 45 3.348 0.992 -10.599
319 HA THR 45 HA THR 45 3.705 0.659 -12.822
320 HB THR 45 HB THR 45 1.567 2.730 -13.231
321 HG1 THR 45 HG1 THR 45 0.082 1.077 -12.960
322 HG21 THR 45 HG21 THR 45 0.919 1.061 -15.063
323 HG22 THR 45 HG22 THR 45 2.561 0.446 -14.874
324 HG23 THR 45 HG23 THR 45 2.298 2.124 -15.343
325 H ASN 46 H ASN 46 4.269 1.807 -14.927
326 HA ASN 46 HA ASN 46 5.067 4.526 -14.854
327 HB2 ASN 46 HB2 ASN 46 6.819 3.078 -13.465
328 HB3 ASN 46 HB3 ASN 46 7.453 2.756 -15.076
329 HD21 ASN 46 HD21 ASN 46 8.015 4.603 -16.398
330 HD22 ASN 46 HD22 ASN 46 8.578 6.047 -15.637
331 H SER 47 H SER 47 4.059 4.683 -16.843
332 HA SER 47 HA SER 47 3.858 4.623 -19.104
333 HB2 SER 47 HB2 SER 47 6.741 3.888 -18.732
334 HB3 SER 47 HB3 SER 47 6.022 3.792 -20.340
335 HG SER 47 HG SER 47 7.043 5.876 -19.535
336 H VAL 48 H VAL 48 2.279 3.120 -19.358
337 HA VAL 48 HA VAL 48 2.616 0.879 -20.840
338 HB VAL 48 HB VAL 48 1.991 -0.843 -18.967
339 HG11 VAL 48 HG11 VAL 48 4.862 -0.607 -18.872
340 HG12 VAL 48 HG12 VAL 48 4.247 -0.322 -20.500
341 HG13 VAL 48 HG13 VAL 48 3.855 -1.823 -19.659
342 HG21 VAL 48 HG21 VAL 48 4.020 0.690 -17.402
343 HG22 VAL 48 HG22 VAL 48 2.862 -0.524 -16.855
344 HG23 VAL 48 HG23 VAL 48 2.311 1.103 -17.255
345 H LYS 49 H LYS 49 0.753 1.365 -21.718
346 HA LYS 49 HA LYS 49 -1.495 1.440 -22.090
347 HB2 LYS 49 HB2 LYS 49 -1.198 -0.387 -19.809
348 HB3 LYS 49 HB3 LYS 49 -2.780 0.372 -19.913
349 HG2 LYS 49 HG2 LYS 49 -2.752 -0.378 -22.369
350 HG3 LYS 49 HG3 LYS 49 -1.432 -1.441 -21.875
351 HD2 LYS 49 HD2 LYS 49 -3.831 -1.473 -20.158
352 HD3 LYS 49 HD3 LYS 49 -4.034 -2.137 -21.780
353 HE2 LYS 49 HE2 LYS 49 -1.716 -3.306 -21.095
354 HE3 LYS 49 HE3 LYS 49 -2.443 -3.135 -19.498
355 HZ1 LYS 49 HZ1 LYS 49 -4.489 -4.181 -20.578
356 HZ2 LYS 49 HZ2 LYS 49 -3.175 -5.194 -20.244
357 HZ3 LYS 49 HZ3 LYS 49 -3.446 -4.652 -21.824
358 H CY1 50 HN CY1 50 -1.344 3.702 -21.928
359 HA CY1 50 HA CY1 50 -2.052 4.980 -19.338
360 HB2 CY1 50 HB2 CY1 50 -1.464 6.494 -21.907
361 HB3 CY1 50 HB3 CY1 50 -0.138 5.765 -20.967
362 HD2 CY1 50 HD2 CY1 50 1.197 8.160 -20.866
363 HD3 CY1 50 HD3 CY1 50 1.145 7.939 -19.095
364 HE CY1 50 HE CY1 50 -0.599 10.043 -19.584
365 HM1 CY1 50 HM1 CY1 50 0.238 12.136 -18.813
366 HM2 CY1 50 HM2 CY1 50 0.533 12.447 -20.538
367 HM3 CY1 50 HM3 CY1 50 1.856 12.613 -19.364
368 HN1 NH2 51 HN1 NH2 51 -3.777 6.621 -19.268
369 HN2 NH2 51 HN2 NH2 51 -5.194 6.306 -20.260
Start of MODEL 13
1 H1 LEU 1 H1 LEU 1 1.937 -7.424 16.391
2 H2 LEU 1 H2 LEU 1 2.199 -5.728 16.436
3 H3 LEU 1 H3 LEU 1 1.737 -6.488 14.969
4 HA LEU 1 HA LEU 1 0.130 -6.227 17.420
5 HB2 LEU 1 HB2 LEU 1 -1.296 -4.857 15.909
6 HB3 LEU 1 HB3 LEU 1 0.284 -4.162 16.220
7 HG LEU 1 HG LEU 1 0.172 -5.825 13.804
8 HD11 LEU 1 HD11 LEU 1 -1.199 -4.510 12.483
9 HD12 LEU 1 HD12 LEU 1 -1.182 -3.165 13.623
10 HD13 LEU 1 HD13 LEU 1 -2.109 -4.620 13.989
11 HD21 LEU 1 HD21 LEU 1 1.061 -2.980 14.250
12 HD22 LEU 1 HD22 LEU 1 1.473 -4.025 12.892
13 HD23 LEU 1 HD23 LEU 1 2.079 -4.397 14.506
14 H GLN 2 H GLN 2 -2.306 -6.484 16.402
15 HA GLN 2 HA GLN 2 -2.532 -9.279 15.908
16 HB2 GLN 2 HB2 GLN 2 -4.574 -7.054 15.891
17 HB3 GLN 2 HB3 GLN 2 -4.983 -8.751 15.675
18 HG2 GLN 2 HG2 GLN 2 -4.821 -9.189 17.854
19 HG3 GLN 2 HG3 GLN 2 -3.345 -8.241 18.032
20 HE21 GLN 2 HE21 GLN 2 -3.498 -6.033 18.492
21 HE22 GLN 2 HE22 GLN 2 -4.947 -5.333 19.122
22 H MET 3 H MET 3 -2.805 -10.375 14.062
23 HA MET 3 HA MET 3 -3.176 -10.839 11.858
24 HB2 MET 3 HB2 MET 3 -4.925 -8.971 12.044
25 HB3 MET 3 HB3 MET 3 -3.709 -7.937 11.310
26 HG2 MET 3 HG2 MET 3 -5.277 -8.783 9.657
27 HG3 MET 3 HG3 MET 3 -3.642 -9.364 9.350
28 HE1 MET 3 HE1 MET 3 -6.315 -10.396 11.929
29 HE2 MET 3 HE2 MET 3 -6.906 -11.945 11.330
30 HE3 MET 3 HE3 MET 3 -7.329 -10.454 10.488
31 H ALA 4 H ALA 4 -0.872 -8.791 13.061
32 HA ALA 4 HA ALA 4 0.488 -8.208 10.603
33 HB1 ALA 4 HB1 ALA 4 0.833 -7.669 13.457
34 HB2 ALA 4 HB2 ALA 4 1.156 -6.641 12.060
35 HB3 ALA 4 HB3 ALA 4 2.342 -7.849 12.560
36 H GLY 5 H GLY 5 0.215 -10.699 10.122
37 HA2 GLY 5 HA2 GLY 5 2.780 -11.838 10.068
38 HA3 GLY 5 HA3 GLY 5 1.886 -12.573 11.393
39 H GLN 6 H GLN 6 0.298 -11.503 8.470
40 HA GLN 6 HA GLN 6 0.463 -13.801 6.952
41 HB2 GLN 6 HB2 GLN 6 -1.904 -14.715 7.393
42 HB3 GLN 6 HB3 GLN 6 -0.738 -15.035 8.680
43 HG2 GLN 6 HG2 GLN 6 -1.771 -12.667 9.491
44 HG3 GLN 6 HG3 GLN 6 -3.161 -13.390 8.683
45 HE21 GLN 6 HE21 GLN 6 -4.218 -13.563 10.689
46 HE22 GLN 6 HE22 GLN 6 -3.803 -14.802 11.819
47 H CYS 7 H CYS 7 0.731 -11.742 5.844
48 HA CYS 7 HA CYS 7 -1.732 -11.061 4.443
49 HB2 CYS 7 HB2 CYS 7 0.083 -8.919 5.569
50 HB3 CYS 7 HB3 CYS 7 -1.413 -8.672 4.679
51 H SER 8 H SER 8 -1.393 -10.470 2.294
52 HA SER 8 HA SER 8 0.936 -11.313 1.033
53 HB2 SER 8 HB2 SER 8 -0.846 -9.124 -0.047
54 HB3 SER 8 HB3 SER 8 0.140 -10.267 -0.959
55 HG SER 8 HG SER 8 -2.319 -10.645 0.313
56 H GLN 9 H GLN 9 2.796 -10.303 0.408
57 HA GLN 9 HA GLN 9 3.978 -8.506 2.028
58 HB2 GLN 9 HB2 GLN 9 5.044 -9.841 0.151
59 HB3 GLN 9 HB3 GLN 9 4.556 -8.543 -0.931
60 HG2 GLN 9 HG2 GLN 9 5.822 -7.075 0.877
61 HG3 GLN 9 HG3 GLN 9 6.668 -8.599 1.143
62 HE21 GLN 9 HE21 GLN 9 6.592 -9.568 -1.489
63 HE22 GLN 9 HE22 GLN 9 7.627 -8.584 -2.460
64 H ASN 10 H ASN 10 4.037 -6.491 2.449
65 HA ASN 10 HA ASN 10 3.643 -4.286 2.438
66 HB2 ASN 10 HB2 ASN 10 4.109 -4.892 -0.270
67 HB3 ASN 10 HB3 ASN 10 2.706 -3.828 -0.244
68 HD21 ASN 10 HD21 ASN 10 3.008 -1.930 1.364
69 HD22 ASN 10 HD22 ASN 10 4.523 -1.108 1.246
70 H GLU 11 H GLU 11 1.549 -6.175 3.061
71 HA GLU 11 HA GLU 11 -0.844 -4.920 2.028
72 HB2 GLU 11 HB2 GLU 11 -0.339 -7.403 3.208
73 HB3 GLU 11 HB3 GLU 11 -1.375 -6.545 4.337
74 HG2 GLU 11 HG2 GLU 11 -3.102 -6.336 2.788
75 HG3 GLU 11 HG3 GLU 11 -2.043 -6.674 1.422
76 H TYR 12 H TYR 12 -2.290 -3.561 3.054
77 HA TYR 12 HA TYR 12 -1.065 -2.318 5.452
78 HB2 TYR 12 HB2 TYR 12 -1.913 -0.240 4.871
79 HB3 TYR 12 HB3 TYR 12 -1.369 -0.916 3.344
80 HD1 TYR 12 HD1 TYR 12 -4.378 -0.230 5.396
81 HD2 TYR 12 HD2 TYR 12 -2.862 -1.148 1.530
82 HE1 TYR 12 HE1 TYR 12 -6.579 0.259 4.420
83 HE2 TYR 12 HE2 TYR 12 -5.064 -0.672 0.547
84 HH TYR 12 HH TYR 12 -7.862 -0.416 2.333
85 H PHE 13 H PHE 13 -1.941 -2.641 7.277
86 HA PHE 13 HA PHE 13 -4.579 -3.820 7.519
87 HB2 PHE 13 HB2 PHE 13 -2.575 -4.606 8.814
88 HB3 PHE 13 HB3 PHE 13 -2.615 -3.086 9.701
89 HD1 PHE 13 HD1 PHE 13 -4.535 -6.162 8.977
90 HD2 PHE 13 HD2 PHE 13 -4.052 -2.789 11.525
91 HE1 PHE 13 HE1 PHE 13 -6.139 -7.139 10.570
92 HE2 PHE 13 HE2 PHE 13 -5.650 -3.760 13.124
93 HZ PHE 13 HZ PHE 13 -6.696 -5.938 12.646
94 H ASP 14 H ASP 14 -6.070 -2.238 7.085
95 HA ASP 14 HA ASP 14 -5.966 0.385 8.229
96 HB2 ASP 14 HB2 ASP 14 -7.595 -0.978 6.332
97 HB3 ASP 14 HB3 ASP 14 -8.655 -0.328 7.572
98 H SER 15 H SER 15 -5.907 0.480 10.400
99 HA SER 15 HA SER 15 -7.028 -1.248 12.218
100 HB2 SER 15 HB2 SER 15 -6.995 0.679 13.826
101 HB3 SER 15 HB3 SER 15 -5.482 0.460 12.946
102 HG SER 15 HG SER 15 -7.498 2.243 12.076
103 H LEU 16 H LEU 16 -8.607 1.095 10.239
104 HA LEU 16 HA LEU 16 -11.030 1.145 11.827
105 HB2 LEU 16 HB2 LEU 16 -10.296 3.110 10.516
106 HB3 LEU 16 HB3 LEU 16 -10.506 2.187 9.041
107 HG LEU 16 HG LEU 16 -12.857 2.437 10.843
108 HD11 LEU 16 HD11 LEU 16 -12.051 4.666 8.988
109 HD12 LEU 16 HD12 LEU 16 -11.806 4.711 10.733
110 HD13 LEU 16 HD13 LEU 16 -13.439 4.609 10.074
111 HD21 LEU 16 HD21 LEU 16 -12.462 1.316 8.415
112 HD22 LEU 16 HD22 LEU 16 -13.023 2.921 7.947
113 HD23 LEU 16 HD23 LEU 16 -14.021 1.908 8.992
114 H LEU 17 H LEU 17 -9.721 -0.592 9.123
115 HA LEU 17 HA LEU 17 -12.294 -1.886 8.590
116 HB2 LEU 17 HB2 LEU 17 -9.702 -2.004 7.054
117 HB3 LEU 17 HB3 LEU 17 -11.233 -2.697 6.546
118 HG LEU 17 HG LEU 17 -10.827 0.255 6.996
119 HD11 LEU 17 HD11 LEU 17 -9.356 -0.208 5.238
120 HD12 LEU 17 HD12 LEU 17 -10.847 0.294 4.442
121 HD13 LEU 17 HD13 LEU 17 -10.432 -1.417 4.537
122 HD21 LEU 17 HD21 LEU 17 -13.147 -0.728 7.072
123 HD22 LEU 17 HD22 LEU 17 -12.928 -1.168 5.378
124 HD23 LEU 17 HD23 LEU 17 -12.889 0.528 5.861
125 H HIS 18 H HIS 18 -9.351 -2.416 10.232
126 HA HIS 18 HA HIS 18 -8.306 -4.234 11.098
127 HB2 HIS 18 HB2 HIS 18 -9.785 -5.940 12.075
128 HB3 HIS 18 HB3 HIS 18 -10.255 -4.301 12.494
129 HD1 HIS 18 HD1 HIS 18 -12.604 -3.605 11.929
130 HD2 HIS 18 HD2 HIS 18 -11.522 -7.198 10.144
131 HE1 HIS 18 HE1 HIS 18 -14.718 -4.515 10.914
132 HE2 HIS 18 HE2 HIS 18 -14.021 -6.648 9.768
133 H ALA 19 H ALA 19 -8.097 -4.160 8.500
134 HA ALA 19 HA ALA 19 -7.848 -6.952 7.770
135 HB1 ALA 19 HB1 ALA 19 -8.859 -5.616 5.461
136 HB2 ALA 19 HB2 ALA 19 -10.007 -5.426 6.794
137 HB3 ALA 19 HB3 ALA 19 -9.500 -7.039 6.292
138 H CYS 20 H CYS 20 -5.779 -7.076 7.237
139 HA CYS 20 HA CYS 20 -4.330 -4.852 6.215
140 HB2 CYS 20 HB2 CYS 20 -2.495 -6.525 5.840
141 HB3 CYS 20 HB3 CYS 20 -3.094 -6.470 7.491
142 H ILE 21 H ILE 21 -4.769 -4.080 4.311
143 HA ILE 21 HA ILE 21 -5.420 -5.896 2.087
144 HB ILE 21 HB ILE 21 -6.096 -2.998 2.496
145 HG12 ILE 21 HG12 ILE 21 -8.182 -5.130 2.426
146 HG13 ILE 21 HG13 ILE 21 -7.205 -4.992 3.883
147 HG21 ILE 21 HG21 ILE 21 -7.299 -4.820 0.426
148 HG22 ILE 21 HG22 ILE 21 -5.876 -3.829 0.100
149 HG23 ILE 21 HG23 ILE 21 -7.401 -3.063 0.535
150 HD11 ILE 21 HD11 ILE 21 -9.402 -3.368 2.974
151 HD12 ILE 21 HD12 ILE 21 -7.975 -2.391 3.322
152 HD13 ILE 21 HD13 ILE 21 -8.641 -3.454 4.563
153 HA PRO 22 HA PRO 22 -1.767 -4.721 -0.129
154 HB2 PRO 22 HB2 PRO 22 -2.980 -4.440 -2.647
155 HB3 PRO 22 HB3 PRO 22 -2.265 -5.920 -1.999
156 HG2 PRO 22 HG2 PRO 22 -5.117 -5.045 -2.043
157 HG3 PRO 22 HG3 PRO 22 -4.435 -6.670 -2.255
158 HD2 PRO 22 HD2 PRO 22 -5.592 -5.977 0.054
159 HD3 PRO 22 HD3 PRO 22 -4.119 -6.967 0.046
160 H CYS 23 H CYS 23 -0.951 -2.922 -1.520
161 HA CYS 23 HA CYS 23 -2.640 -0.508 -1.368
162 HB2 CYS 23 HB2 CYS 23 -0.841 -0.803 0.544
163 HB3 CYS 23 HB3 CYS 23 0.266 -0.239 -0.707
164 H GLN 24 H GLN 24 -0.270 -2.347 -3.056
165 HA GLN 24 HA GLN 24 0.926 -0.502 -4.705
166 HB2 GLN 24 HB2 GLN 24 -0.010 -2.939 -6.089
167 HB3 GLN 24 HB3 GLN 24 1.600 -2.243 -6.011
168 HG2 GLN 24 HG2 GLN 24 1.697 -3.090 -3.626
169 HG3 GLN 24 HG3 GLN 24 0.242 -4.012 -4.008
170 HE21 GLN 24 HE21 GLN 24 0.377 -5.778 -5.340
171 HE22 GLN 24 HE22 GLN 24 1.878 -6.468 -5.845
172 H LEU 25 H LEU 25 -2.198 -2.024 -5.115
173 HA LEU 25 HA LEU 25 -2.886 -0.864 -7.558
174 HB2 LEU 25 HB2 LEU 25 -5.261 -1.259 -6.797
175 HB3 LEU 25 HB3 LEU 25 -4.209 -2.661 -6.816
176 HG LEU 25 HG LEU 25 -3.959 -1.658 -4.229
177 HD11 LEU 25 HD11 LEU 25 -5.917 -0.873 -3.465
178 HD12 LEU 25 HD12 LEU 25 -6.867 -1.956 -4.483
179 HD13 LEU 25 HD13 LEU 25 -6.211 -0.463 -5.155
180 HD21 LEU 25 HD21 LEU 25 -4.600 -3.754 -3.633
181 HD22 LEU 25 HD22 LEU 25 -4.314 -4.044 -5.348
182 HD23 LEU 25 HD23 LEU 25 -5.956 -3.782 -4.760
183 H ARG 26 H ARG 26 -2.654 0.511 -4.430
184 HA ARG 26 HA ARG 26 -4.379 2.744 -5.065
185 HB2 ARG 26 HB2 ARG 26 -2.664 2.578 -2.616
186 HB3 ARG 26 HB3 ARG 26 -4.183 3.435 -2.832
187 HG2 ARG 26 HG2 ARG 26 -4.439 0.557 -3.217
188 HG3 ARG 26 HG3 ARG 26 -3.865 1.001 -1.610
189 HD2 ARG 26 HD2 ARG 26 -6.038 1.250 -1.143
190 HD3 ARG 26 HD3 ARG 26 -5.853 2.800 -1.954
191 HE ARG 26 HE ARG 26 -6.453 1.150 -3.999
192 HH11 ARG 26 HH11 ARG 26 -7.960 1.667 -0.893
193 HH12 ARG 26 HH12 ARG 26 -9.546 1.260 -1.456
194 HH21 ARG 26 HH21 ARG 26 -8.538 0.613 -4.739
195 HH22 ARG 26 HH22 ARG 26 -9.874 0.661 -3.639
196 H CYS 27 H CYS 27 -1.285 1.953 -5.709
197 HA CYS 27 HA CYS 27 0.198 4.262 -5.197
198 HB2 CYS 27 HB2 CYS 27 0.442 2.217 -7.401
199 HB3 CYS 27 HB3 CYS 27 1.613 3.507 -7.152
200 H SER 28 H SER 28 0.130 6.243 -5.962
201 HA SER 28 HA SER 28 -0.590 8.083 -7.067
202 HB2 SER 28 HB2 SER 28 1.232 6.852 -8.458
203 HB3 SER 28 HB3 SER 28 -0.084 6.592 -9.603
204 HG SER 28 HG SER 28 0.892 9.073 -8.630
205 H SER 29 H SER 29 -2.690 6.080 -6.533
206 HA SER 29 HA SER 29 -4.838 7.316 -7.787
207 HB2 SER 29 HB2 SER 29 -3.700 4.996 -9.249
208 HB3 SER 29 HB3 SER 29 -5.458 5.102 -9.135
209 HG SER 29 HG SER 29 -3.893 7.303 -9.963
210 H ASN 30 H ASN 30 -6.821 6.546 -7.050
211 HA ASN 30 HA ASN 30 -8.287 5.440 -5.703
212 HB2 ASN 30 HB2 ASN 30 -6.835 3.417 -6.810
213 HB3 ASN 30 HB3 ASN 30 -6.519 3.152 -5.098
214 HD21 ASN 30 HD21 ASN 30 -8.950 4.018 -4.052
215 HD22 ASN 30 HD22 ASN 30 -10.183 2.906 -4.528
216 H THR 31 H THR 31 -7.294 7.350 -4.425
217 HA THR 31 HA THR 31 -6.963 8.165 -2.340
218 HB THR 31 HB THR 31 -7.934 5.622 -1.898
219 HG1 THR 31 HG1 THR 31 -8.873 7.129 -0.745
220 HG21 THR 31 HG21 THR 31 -5.811 4.685 -1.265
221 HG22 THR 31 HG22 THR 31 -6.820 4.873 0.168
222 HG23 THR 31 HG23 THR 31 -5.516 6.018 -0.150
223 HA PRO 32 HA PRO 32 -2.499 8.370 -3.100
224 HB2 PRO 32 HB2 PRO 32 -2.883 10.181 -0.744
225 HB3 PRO 32 HB3 PRO 32 -1.882 10.412 -2.184
226 HG2 PRO 32 HG2 PRO 32 -4.201 11.650 -2.011
227 HG3 PRO 32 HG3 PRO 32 -3.711 10.887 -3.542
228 HD2 PRO 32 HD2 PRO 32 -5.722 9.924 -1.510
229 HD3 PRO 32 HD3 PRO 32 -5.755 9.759 -3.285
230 HA PRO 33 HA PRO 33 -1.438 5.327 0.068
231 HB2 PRO 33 HB2 PRO 33 1.045 4.816 -0.886
232 HB3 PRO 33 HB3 PRO 33 -0.417 4.110 -1.586
233 HG2 PRO 33 HG2 PRO 33 1.183 6.468 -2.506
234 HG3 PRO 33 HG3 PRO 33 0.467 5.160 -3.464
235 HD2 PRO 33 HD2 PRO 33 -0.681 7.593 -3.266
236 HD3 PRO 33 HD3 PRO 33 -1.635 6.105 -3.418
237 H LEU 34 H LEU 34 -1.476 7.189 1.570
238 HA LEU 34 HA LEU 34 0.864 8.708 1.979
239 HB2 LEU 34 HB2 LEU 34 -1.126 8.026 4.142
240 HB3 LEU 34 HB3 LEU 34 -0.067 9.418 4.065
241 HG LEU 34 HG LEU 34 -2.474 8.883 2.333
242 HD11 LEU 34 HD11 LEU 34 -1.923 11.106 4.288
243 HD12 LEU 34 HD12 LEU 34 -2.886 9.674 4.649
244 HD13 LEU 34 HD13 LEU 34 -3.421 10.806 3.406
245 HD21 LEU 34 HD21 LEU 34 -1.377 10.074 0.781
246 HD22 LEU 34 HD22 LEU 34 -0.152 10.618 1.928
247 HD23 LEU 34 HD23 LEU 34 -1.701 11.455 1.830
248 H THR 35 H THR 35 -0.251 5.674 3.455
249 HA THR 35 HA THR 35 2.229 5.451 4.926
250 HB THR 35 HB THR 35 0.116 4.736 5.973
251 HG1 THR 35 HG1 THR 35 1.564 3.544 6.926
252 HG21 THR 35 HG21 THR 35 -1.378 3.400 5.037
253 HG22 THR 35 HG22 THR 35 -0.148 2.206 4.620
254 HG23 THR 35 HG23 THR 35 -0.467 3.558 3.534
255 H CYS 36 H CYS 36 1.378 4.958 1.767
256 HA CYS 36 HA CYS 36 3.341 2.773 1.540
257 HB2 CYS 36 HB2 CYS 36 1.248 2.992 -0.555
258 HB3 CYS 36 HB3 CYS 36 2.093 1.575 0.048
259 H GLN 37 H GLN 37 2.745 5.944 0.772
260 HA GLN 37 HA GLN 37 3.464 6.339 -1.825
261 HB2 GLN 37 HB2 GLN 37 3.086 7.984 0.277
262 HB3 GLN 37 HB3 GLN 37 4.830 8.102 0.119
263 HG2 GLN 37 HG2 GLN 37 3.579 9.861 -1.086
264 HG3 GLN 37 HG3 GLN 37 4.651 8.911 -2.112
265 HE21 GLN 37 HE21 GLN 37 1.381 9.730 -1.359
266 HE22 GLN 37 HE22 GLN 37 0.649 8.954 -2.717
267 H ARG 38 H ARG 38 5.629 5.813 0.881
268 HA ARG 38 HA ARG 38 8.061 6.102 -0.479
269 HB2 ARG 38 HB2 ARG 38 7.167 5.062 2.101
270 HB3 ARG 38 HB3 ARG 38 8.575 4.214 1.478
271 HG2 ARG 38 HG2 ARG 38 9.658 6.457 1.158
272 HG3 ARG 38 HG3 ARG 38 8.301 7.152 2.047
273 HD2 ARG 38 HD2 ARG 38 10.255 5.089 3.045
274 HD3 ARG 38 HD3 ARG 38 10.164 6.775 3.539
275 HE ARG 38 HE ARG 38 7.696 5.871 4.134
276 HH11 ARG 38 HH11 ARG 38 10.875 4.630 4.869
277 HH12 ARG 38 HH12 ARG 38 10.380 3.891 6.355
278 HH21 ARG 38 HH21 ARG 38 7.044 4.900 6.087
279 HH22 ARG 38 HH22 ARG 38 8.205 4.044 7.046
280 H TYR 39 H TYR 39 6.199 3.129 0.190
281 HA TYR 39 HA TYR 39 8.053 1.561 -1.268
282 HB2 TYR 39 HB2 TYR 39 6.768 0.541 0.532
283 HB3 TYR 39 HB3 TYR 39 5.262 0.886 -0.314
284 HD1 TYR 39 HD1 TYR 39 8.374 -1.118 -0.460
285 HD2 TYR 39 HD2 TYR 39 4.433 -0.581 -1.970
286 HE1 TYR 39 HE1 TYR 39 8.527 -3.285 -1.613
287 HE2 TYR 39 HE2 TYR 39 4.573 -2.747 -3.124
288 HH TYR 39 HH TYR 39 6.224 -4.291 -3.948
289 H CYS 40 H CYS 40 4.978 3.075 -2.061
290 HA CYS 40 HA CYS 40 4.434 1.800 -4.465
291 HB2 CYS 40 HB2 CYS 40 3.882 4.543 -3.436
292 HB3 CYS 40 HB3 CYS 40 3.664 4.259 -5.158
293 H ASN 41 H ASN 41 6.910 4.075 -3.659
294 HA ASN 41 HA ASN 41 7.704 4.902 -6.195
295 HB2 ASN 41 HB2 ASN 41 9.392 4.440 -3.732
296 HB3 ASN 41 HB3 ASN 41 9.911 5.350 -5.152
297 HD21 ASN 41 HD21 ASN 41 8.666 5.506 -2.154
298 HD22 ASN 41 HD22 ASN 41 7.965 7.090 -2.197
299 H ALA 42 H ALA 42 8.199 1.994 -4.474
300 HA ALA 42 HA ALA 42 9.984 0.953 -6.556
301 HB1 ALA 42 HB1 ALA 42 9.694 -0.989 -4.558
302 HB2 ALA 42 HB2 ALA 42 9.812 0.554 -3.714
303 HB3 ALA 42 HB3 ALA 42 11.081 0.063 -4.836
304 H SER 43 H SER 43 7.146 1.382 -6.915
305 HA SER 43 HA SER 43 6.405 -1.334 -7.682
306 HB2 SER 43 HB2 SER 43 4.911 0.482 -5.882
307 HB3 SER 43 HB3 SER 43 3.955 -0.359 -7.103
308 HG SER 43 HG SER 43 4.868 -2.323 -6.321
309 H VAL 44 H VAL 44 6.397 2.066 -8.313
310 HA VAL 44 HA VAL 44 5.550 1.548 -11.033
311 HB VAL 44 HB VAL 44 4.255 3.757 -9.434
312 HG11 VAL 44 HG11 VAL 44 3.259 2.729 -12.050
313 HG12 VAL 44 HG12 VAL 44 4.631 3.836 -12.025
314 HG13 VAL 44 HG13 VAL 44 3.087 4.329 -11.329
315 HG21 VAL 44 HG21 VAL 44 2.209 2.446 -9.485
316 HG22 VAL 44 HG22 VAL 44 3.488 1.554 -8.660
317 HG23 VAL 44 HG23 VAL 44 3.047 1.135 -10.317
318 H THR 45 H THR 45 8.040 1.963 -10.664
319 HA THR 45 HA THR 45 8.706 4.195 -12.010
320 HB THR 45 HB THR 45 10.077 4.706 -9.528
321 HG1 THR 45 HG1 THR 45 8.328 4.163 -8.385
322 HG21 THR 45 HG21 THR 45 9.868 6.862 -10.087
323 HG22 THR 45 HG22 THR 45 8.167 6.698 -10.521
324 HG23 THR 45 HG23 THR 45 9.420 6.204 -11.660
325 H ASN 46 H ASN 46 9.729 1.767 -9.721
326 HA ASN 46 HA ASN 46 12.469 1.749 -10.252
327 HB2 ASN 46 HB2 ASN 46 12.487 -0.478 -9.298
328 HB3 ASN 46 HB3 ASN 46 11.360 0.524 -8.391
329 HD21 ASN 46 HD21 ASN 46 9.134 0.181 -8.631
330 HD22 ASN 46 HD22 ASN 46 8.512 -1.304 -9.256
331 H SER 47 H SER 47 13.124 -0.810 -11.078
332 HA SER 47 HA SER 47 12.426 -2.237 -13.005
333 HB2 SER 47 HB2 SER 47 11.303 -0.659 -14.380
334 HB3 SER 47 HB3 SER 47 12.658 0.469 -14.317
335 HG SER 47 HG SER 47 13.019 -0.462 -16.203
336 H VAL 48 H VAL 48 14.053 -3.354 -14.015
337 HA VAL 48 HA VAL 48 16.505 -2.575 -14.854
338 HB VAL 48 HB VAL 48 17.859 -3.532 -12.822
339 HG11 VAL 48 HG11 VAL 48 17.448 -1.012 -13.918
340 HG12 VAL 48 HG12 VAL 48 18.778 -1.514 -12.875
341 HG13 VAL 48 HG13 VAL 48 17.340 -0.773 -12.175
342 HG21 VAL 48 HG21 VAL 48 16.089 -1.941 -11.108
343 HG22 VAL 48 HG22 VAL 48 16.955 -3.437 -10.766
344 HG23 VAL 48 HG23 VAL 48 15.418 -3.485 -11.628
345 H LYS 49 H LYS 49 16.397 -4.211 -16.192
346 HA LYS 49 HA LYS 49 17.475 -6.605 -15.841
347 HB2 LYS 49 HB2 LYS 49 14.806 -6.615 -14.685
348 HB3 LYS 49 HB3 LYS 49 14.988 -7.851 -15.923
349 HG2 LYS 49 HG2 LYS 49 17.290 -8.121 -14.451
350 HG3 LYS 49 HG3 LYS 49 16.081 -7.722 -13.230
351 HD2 LYS 49 HD2 LYS 49 15.700 -9.874 -15.304
352 HD3 LYS 49 HD3 LYS 49 16.370 -10.177 -13.699
353 HE2 LYS 49 HE2 LYS 49 13.880 -8.653 -13.655
354 HE3 LYS 49 HE3 LYS 49 13.708 -10.255 -14.371
355 HZ1 LYS 49 HZ1 LYS 49 13.440 -10.828 -12.222
356 HZ2 LYS 49 HZ2 LYS 49 14.306 -9.504 -11.625
357 HZ3 LYS 49 HZ3 LYS 49 15.132 -10.854 -12.221
358 H CY1 50 H CY1 50 17.906 -7.314 -17.822
359 HA CY1 50 HA CY1 50 16.231 -6.376 -20.029
360 HB2 CY1 50 HB2 CY1 50 19.025 -7.509 -19.899
361 HB3 CY1 50 HB3 CY1 50 18.180 -7.257 -21.423
362 HD2 CY1 50 HD2 CY1 50 19.347 -4.109 -21.607
363 HD3 CY1 50 HD3 CY1 50 20.667 -4.786 -22.324
364 HE CY1 50 HE CY1 50 17.885 -5.427 -22.984
365 HM1 CY1 50 HM1 CY1 50 18.784 -6.716 -26.130
366 HM2 CY1 50 HM2 CY1 50 17.555 -5.734 -25.265
367 HM3 CY1 50 HM3 CY1 50 17.782 -7.430 -24.881
368 HN1 NH2 51 HN1 NH2 51 15.416 -8.622 -18.289
369 HN2 NH2 51 HN2 NH2 51 15.227 -9.982 -19.337
Start of MODEL 14
1 H1 LEU 1 H1 LEU 1 0.395 2.866 13.916
2 H2 LEU 1 H2 LEU 1 0.267 4.296 14.854
3 H3 LEU 1 H3 LEU 1 0.071 4.364 13.151
4 HA LEU 1 HA LEU 1 -1.712 3.224 15.178
5 HB2 LEU 1 HB2 LEU 1 -1.914 5.297 12.997
6 HB3 LEU 1 HB3 LEU 1 -3.315 4.671 13.845
7 HG LEU 1 HG LEU 1 -1.715 5.445 15.927
8 HD11 LEU 1 HD11 LEU 1 -0.122 6.451 14.313
9 HD12 LEU 1 HD12 LEU 1 -0.817 7.617 15.439
10 HD13 LEU 1 HD13 LEU 1 -1.406 7.536 13.779
11 HD21 LEU 1 HD21 LEU 1 -3.906 6.853 14.433
12 HD22 LEU 1 HD22 LEU 1 -3.203 7.519 15.907
13 HD23 LEU 1 HD23 LEU 1 -4.003 5.948 15.944
14 H GLN 2 H GLN 2 -0.998 3.345 11.700
15 HA GLN 2 HA GLN 2 -2.683 0.951 11.356
16 HB2 GLN 2 HB2 GLN 2 -2.002 2.968 9.215
17 HB3 GLN 2 HB3 GLN 2 -3.165 1.653 9.112
18 HG2 GLN 2 HG2 GLN 2 -4.778 2.837 10.103
19 HG3 GLN 2 HG3 GLN 2 -3.679 3.519 11.300
20 HE21 GLN 2 HE21 GLN 2 -4.521 3.740 7.868
21 HE22 GLN 2 HE22 GLN 2 -4.266 5.443 7.734
22 H MET 3 H MET 3 -1.899 -0.761 10.199
23 HA MET 3 HA MET 3 -0.403 -2.106 9.090
24 HB2 MET 3 HB2 MET 3 0.220 -0.314 7.597
25 HB3 MET 3 HB3 MET 3 1.230 0.417 8.832
26 HG2 MET 3 HG2 MET 3 1.892 -2.355 7.987
27 HG3 MET 3 HG3 MET 3 2.230 -1.041 6.862
28 HE1 MET 3 HE1 MET 3 5.078 -2.452 7.759
29 HE2 MET 3 HE2 MET 3 3.771 -3.274 8.612
30 HE3 MET 3 HE3 MET 3 5.122 -2.591 9.517
31 H ALA 4 H ALA 4 0.145 -0.515 11.943
32 HA ALA 4 HA ALA 4 2.652 -1.816 12.585
33 HB1 ALA 4 HB1 ALA 4 1.303 0.471 13.432
34 HB2 ALA 4 HB2 ALA 4 2.836 -0.156 14.037
35 HB3 ALA 4 HB3 ALA 4 1.324 -0.608 14.826
36 H GLY 5 H GLY 5 2.163 -4.034 12.572
37 HA2 GLY 5 HA2 GLY 5 1.296 -5.146 14.987
38 HA3 GLY 5 HA3 GLY 5 -0.060 -5.195 13.871
39 H GLN 6 H GLN 6 0.993 -5.862 11.497
40 HA GLN 6 HA GLN 6 2.996 -7.624 11.164
41 HB2 GLN 6 HB2 GLN 6 0.938 -8.818 12.840
42 HB3 GLN 6 HB3 GLN 6 1.195 -9.751 11.372
43 HG2 GLN 6 HG2 GLN 6 3.360 -10.281 11.922
44 HG3 GLN 6 HG3 GLN 6 3.550 -8.879 12.974
45 HE21 GLN 6 HE21 GLN 6 4.466 -10.542 14.406
46 HE22 GLN 6 HE22 GLN 6 3.391 -11.421 15.435
47 H CYS 7 H CYS 7 2.480 -6.305 9.313
48 HA CYS 7 HA CYS 7 0.414 -7.496 7.588
49 HB2 CYS 7 HB2 CYS 7 1.607 -4.739 7.688
50 HB3 CYS 7 HB3 CYS 7 0.766 -5.315 6.256
51 H SER 8 H SER 8 0.898 -8.147 5.521
52 HA SER 8 HA SER 8 3.520 -9.056 5.015
53 HB2 SER 8 HB2 SER 8 1.248 -8.656 3.051
54 HB3 SER 8 HB3 SER 8 2.684 -9.642 2.782
55 HG SER 8 HG SER 8 0.855 -10.080 4.902
56 H GLN 9 H GLN 9 4.959 -8.381 3.323
57 HA GLN 9 HA GLN 9 5.711 -5.776 3.418
58 HB2 GLN 9 HB2 GLN 9 6.976 -6.185 1.311
59 HB3 GLN 9 HB3 GLN 9 7.191 -7.443 2.520
60 HG2 GLN 9 HG2 GLN 9 4.994 -7.975 0.685
61 HG3 GLN 9 HG3 GLN 9 6.559 -7.834 -0.114
62 HE21 GLN 9 HE21 GLN 9 4.513 -9.798 1.733
63 HE22 GLN 9 HE22 GLN 9 5.606 -11.109 1.999
64 H ASN 10 H ASN 10 5.106 -3.921 2.633
65 HA ASN 10 HA ASN 10 4.000 -2.334 1.500
66 HB2 ASN 10 HB2 ASN 10 4.402 -2.528 -0.737
67 HB3 ASN 10 HB3 ASN 10 4.774 -4.227 -0.480
68 HD21 ASN 10 HD21 ASN 10 2.636 -5.569 -0.213
69 HD22 ASN 10 HD22 ASN 10 1.473 -5.293 -1.459
70 H GLU 11 H GLU 11 2.637 -4.265 3.238
71 HA GLU 11 HA GLU 11 -0.090 -3.869 2.221
72 HB2 GLU 11 HB2 GLU 11 1.021 -6.239 3.019
73 HB3 GLU 11 HB3 GLU 11 0.177 -5.719 4.470
74 HG2 GLU 11 HG2 GLU 11 -1.857 -6.049 3.564
75 HG3 GLU 11 HG3 GLU 11 -1.348 -5.537 1.957
76 H TYR 12 H TYR 12 -1.678 -2.914 3.467
77 HA TYR 12 HA TYR 12 -0.625 -1.801 6.014
78 HB2 TYR 12 HB2 TYR 12 -1.577 0.319 5.620
79 HB3 TYR 12 HB3 TYR 12 -0.694 -0.113 4.163
80 HD1 TYR 12 HD1 TYR 12 -1.883 -0.577 2.085
81 HD2 TYR 12 HD2 TYR 12 -3.992 0.504 5.616
82 HE1 TYR 12 HE1 TYR 12 -3.885 -0.106 0.738
83 HE2 TYR 12 HE2 TYR 12 -5.997 0.982 4.279
84 HH TYR 12 HH TYR 12 -6.613 1.526 2.009
85 H PHE 13 H PHE 13 -1.682 -2.346 7.698
86 HA PHE 13 HA PHE 13 -4.247 -3.631 7.607
87 HB2 PHE 13 HB2 PHE 13 -3.014 -4.572 9.287
88 HB3 PHE 13 HB3 PHE 13 -2.165 -3.079 9.655
89 HD1 PHE 13 HD1 PHE 13 -5.451 -4.767 10.046
90 HD2 PHE 13 HD2 PHE 13 -2.731 -1.855 11.540
91 HE1 PHE 13 HE1 PHE 13 -6.860 -4.477 12.042
92 HE2 PHE 13 HE2 PHE 13 -4.137 -1.559 13.535
93 HZ PHE 13 HZ PHE 13 -6.205 -2.869 13.787
94 H ASP 14 H ASP 14 -5.678 -2.098 6.819
95 HA ASP 14 HA ASP 14 -5.975 0.520 7.854
96 HB2 ASP 14 HB2 ASP 14 -7.034 -0.812 5.733
97 HB3 ASP 14 HB3 ASP 14 -8.408 -0.801 6.832
98 H SER 15 H SER 15 -6.294 0.847 9.970
99 HA SER 15 HA SER 15 -7.474 -0.871 11.773
100 HB2 SER 15 HB2 SER 15 -8.079 1.553 12.871
101 HB3 SER 15 HB3 SER 15 -6.496 0.782 12.978
102 HG SER 15 HG SER 15 -5.761 2.408 11.892
103 H LEU 16 H LEU 16 -8.958 1.072 9.371
104 HA LEU 16 HA LEU 16 -11.572 1.011 10.626
105 HB2 LEU 16 HB2 LEU 16 -10.820 2.935 9.242
106 HB3 LEU 16 HB3 LEU 16 -10.797 1.880 7.842
107 HG LEU 16 HG LEU 16 -13.373 1.698 9.076
108 HD11 LEU 16 HD11 LEU 16 -12.349 4.487 8.610
109 HD12 LEU 16 HD12 LEU 16 -13.103 3.828 10.062
110 HD13 LEU 16 HD13 LEU 16 -14.064 4.078 8.605
111 HD21 LEU 16 HD21 LEU 16 -14.093 1.874 6.931
112 HD22 LEU 16 HD22 LEU 16 -12.400 1.503 6.603
113 HD23 LEU 16 HD23 LEU 16 -12.966 3.173 6.539
114 H LEU 17 H LEU 17 -9.719 -0.818 8.336
115 HA LEU 17 HA LEU 17 -12.072 -2.391 7.571
116 HB2 LEU 17 HB2 LEU 17 -9.288 -2.407 6.419
117 HB3 LEU 17 HB3 LEU 17 -10.685 -3.245 5.767
118 HG LEU 17 HG LEU 17 -10.432 -0.245 5.975
119 HD11 LEU 17 HD11 LEU 17 -10.452 -0.730 3.343
120 HD12 LEU 17 HD12 LEU 17 -9.614 -2.180 3.899
121 HD13 LEU 17 HD13 LEU 17 -8.968 -0.585 4.286
122 HD21 LEU 17 HD21 LEU 17 -12.474 -2.024 4.650
123 HD22 LEU 17 HD22 LEU 17 -12.378 -0.275 4.444
124 HD23 LEU 17 HD23 LEU 17 -12.733 -0.958 6.030
125 H HIS 18 H HIS 18 -9.291 -2.492 9.577
126 HA HIS 18 HA HIS 18 -8.241 -4.104 10.757
127 HB2 HIS 18 HB2 HIS 18 -9.658 -5.885 11.696
128 HB3 HIS 18 HB3 HIS 18 -10.341 -4.281 11.905
129 HD1 HIS 18 HD1 HIS 18 -10.805 -7.424 9.870
130 HD2 HIS 18 HD2 HIS 18 -12.847 -3.933 10.820
131 HE1 HIS 18 HE1 HIS 18 -13.135 -7.744 8.980
132 HE2 HIS 18 HE2 HIS 18 -14.376 -5.654 9.642
133 H ALA 19 H ALA 19 -7.438 -4.234 8.415
134 HA ALA 19 HA ALA 19 -6.740 -6.930 7.923
135 HB1 ALA 19 HB1 ALA 19 -8.164 -7.567 6.339
136 HB2 ALA 19 HB2 ALA 19 -7.912 -6.063 5.442
137 HB3 ALA 19 HB3 ALA 19 -9.131 -6.141 6.721
138 H CYS 20 H CYS 20 -4.834 -6.953 6.971
139 HA CYS 20 HA CYS 20 -3.581 -4.535 6.186
140 HB2 CYS 20 HB2 CYS 20 -2.665 -7.380 5.699
141 HB3 CYS 20 HB3 CYS 20 -1.675 -5.938 5.505
142 H ILE 21 H ILE 21 -4.272 -3.518 4.481
143 HA ILE 21 HA ILE 21 -5.142 -4.937 2.093
144 HB ILE 21 HB ILE 21 -5.181 -1.976 2.435
145 HG12 ILE 21 HG12 ILE 21 -6.095 -2.762 4.538
146 HG13 ILE 21 HG13 ILE 21 -7.385 -2.099 3.545
147 HG21 ILE 21 HG21 ILE 21 -5.913 -2.648 0.310
148 HG22 ILE 21 HG22 ILE 21 -7.390 -2.306 1.206
149 HG23 ILE 21 HG23 ILE 21 -6.874 -3.974 0.967
150 HD11 ILE 21 HD11 ILE 21 -8.090 -4.116 4.689
151 HD12 ILE 21 HD12 ILE 21 -6.784 -5.023 3.931
152 HD13 ILE 21 HD13 ILE 21 -8.086 -4.356 2.943
153 HA PRO 22 HA PRO 22 -1.301 -3.859 0.171
154 HB2 PRO 22 HB2 PRO 22 -1.855 -4.379 -2.416
155 HB3 PRO 22 HB3 PRO 22 -1.675 -5.666 -1.220
156 HG2 PRO 22 HG2 PRO 22 -4.168 -4.443 -2.333
157 HG3 PRO 22 HG3 PRO 22 -3.803 -6.150 -2.015
158 HD2 PRO 22 HD2 PRO 22 -5.284 -4.576 -0.324
159 HD3 PRO 22 HD3 PRO 22 -4.338 -5.975 0.220
160 H CYS 23 H CYS 23 -0.337 -2.097 -0.682
161 HA CYS 23 HA CYS 23 -2.004 0.211 -1.214
162 HB2 CYS 23 HB2 CYS 23 0.970 0.319 -1.482
163 HB3 CYS 23 HB3 CYS 23 -0.142 1.509 -0.819
164 H GLN 24 H GLN 24 -0.209 -2.091 -3.068
165 HA GLN 24 HA GLN 24 0.519 -0.755 -5.337
166 HB2 GLN 24 HB2 GLN 24 -0.909 -3.301 -5.840
167 HB3 GLN 24 HB3 GLN 24 0.674 -2.775 -6.390
168 HG2 GLN 24 HG2 GLN 24 1.489 -3.156 -4.043
169 HG3 GLN 24 HG3 GLN 24 -0.065 -3.924 -3.718
170 HE21 GLN 24 HE21 GLN 24 -0.491 -5.932 -4.545
171 HE22 GLN 24 HE22 GLN 24 0.703 -6.911 -5.321
172 H LEU 25 H LEU 25 -2.663 -2.030 -4.607
173 HA LEU 25 HA LEU 25 -3.895 -1.190 -6.993
174 HB2 LEU 25 HB2 LEU 25 -4.720 -2.962 -5.416
175 HB3 LEU 25 HB3 LEU 25 -5.250 -1.675 -4.351
176 HG LEU 25 HG LEU 25 -6.238 -1.458 -7.114
177 HD11 LEU 25 HD11 LEU 25 -6.715 -3.661 -7.253
178 HD12 LEU 25 HD12 LEU 25 -8.085 -3.189 -6.246
179 HD13 LEU 25 HD13 LEU 25 -6.649 -3.899 -5.506
180 HD21 LEU 25 HD21 LEU 25 -6.822 -0.216 -4.833
181 HD22 LEU 25 HD22 LEU 25 -7.989 -1.534 -4.728
182 HD23 LEU 25 HD23 LEU 25 -8.009 -0.448 -6.117
183 H ARG 26 H ARG 26 -2.825 0.637 -4.372
184 HA ARG 26 HA ARG 26 -4.691 2.788 -5.042
185 HB2 ARG 26 HB2 ARG 26 -3.182 2.610 -2.458
186 HB3 ARG 26 HB3 ARG 26 -4.574 3.618 -2.829
187 HG2 ARG 26 HG2 ARG 26 -4.692 0.616 -2.751
188 HG3 ARG 26 HG3 ARG 26 -5.027 1.641 -1.354
189 HD2 ARG 26 HD2 ARG 26 -6.503 1.571 -3.976
190 HD3 ARG 26 HD3 ARG 26 -7.102 1.064 -2.401
191 HE ARG 26 HE ARG 26 -6.980 3.751 -3.417
192 HH11 ARG 26 HH11 ARG 26 -7.015 1.807 -0.520
193 HH12 ARG 26 HH12 ARG 26 -7.634 3.080 0.477
194 HH21 ARG 26 HH21 ARG 26 -7.794 5.427 -2.108
195 HH22 ARG 26 HH22 ARG 26 -8.077 5.136 -0.424
196 H CYS 27 H CYS 27 -1.621 1.829 -5.441
197 HA CYS 27 HA CYS 27 -0.251 4.309 -5.057
198 HB2 CYS 27 HB2 CYS 27 0.576 1.798 -6.522
199 HB3 CYS 27 HB3 CYS 27 1.629 3.181 -6.253
200 H SER 28 H SER 28 -1.323 2.478 -7.901
201 HA SER 28 HA SER 28 -0.602 4.557 -9.658
202 HB2 SER 28 HB2 SER 28 -0.297 2.272 -10.386
203 HB3 SER 28 HB3 SER 28 -2.018 1.955 -10.172
204 HG SER 28 HG SER 28 -2.323 2.717 -12.094
205 H SER 29 H SER 29 -2.939 4.779 -7.624
206 HA SER 29 HA SER 29 -4.558 6.405 -9.313
207 HB2 SER 29 HB2 SER 29 -5.731 3.831 -8.265
208 HB3 SER 29 HB3 SER 29 -6.690 5.183 -8.873
209 HG SER 29 HG SER 29 -4.929 3.482 -10.269
210 H ASN 30 H ASN 30 -5.722 7.855 -8.227
211 HA ASN 30 HA ASN 30 -6.476 9.165 -6.534
212 HB2 ASN 30 HB2 ASN 30 -6.544 6.500 -5.127
213 HB3 ASN 30 HB3 ASN 30 -7.092 7.990 -4.367
214 HD21 ASN 30 HD21 ASN 30 -7.530 6.071 -7.310
215 HD22 ASN 30 HD22 ASN 30 -9.221 6.389 -7.473
216 H THR 31 H THR 31 -3.510 7.791 -6.560
217 HA THR 31 HA THR 31 -1.684 7.794 -5.099
218 HB THR 31 HB THR 31 -1.358 9.551 -6.717
219 HG1 THR 31 HG1 THR 31 -0.706 10.574 -4.158
220 HG21 THR 31 HG21 THR 31 -2.038 11.802 -6.445
221 HG22 THR 31 HG22 THR 31 -2.670 11.482 -4.829
222 HG23 THR 31 HG23 THR 31 -3.472 10.794 -6.241
223 HA PRO 32 HA PRO 32 -3.458 9.265 -1.090
224 HB2 PRO 32 HB2 PRO 32 -5.192 7.355 -0.384
225 HB3 PRO 32 HB3 PRO 32 -5.623 8.590 -1.572
226 HG2 PRO 32 HG2 PRO 32 -5.173 5.726 -1.968
227 HG3 PRO 32 HG3 PRO 32 -5.918 6.907 -3.065
228 HD2 PRO 32 HD2 PRO 32 -3.086 5.962 -2.983
229 HD3 PRO 32 HD3 PRO 32 -3.949 6.773 -4.309
230 HA PRO 33 HA PRO 33 -1.168 5.354 0.510
231 HB2 PRO 33 HB2 PRO 33 1.242 5.149 -0.557
232 HB3 PRO 33 HB3 PRO 33 -0.175 4.572 -1.447
233 HG2 PRO 33 HG2 PRO 33 1.336 7.143 -1.752
234 HG3 PRO 33 HG3 PRO 33 0.744 6.040 -3.009
235 HD2 PRO 33 HD2 PRO 33 -0.568 8.327 -2.209
236 HD3 PRO 33 HD3 PRO 33 -1.352 6.925 -2.963
237 H LEU 34 H LEU 34 -1.360 7.075 2.201
238 HA LEU 34 HA LEU 34 0.905 8.753 2.651
239 HB2 LEU 34 HB2 LEU 34 -1.043 7.887 4.790
240 HB3 LEU 34 HB3 LEU 34 -0.066 9.339 4.748
241 HG LEU 34 HG LEU 34 -2.443 8.721 3.000
242 HD11 LEU 34 HD11 LEU 34 -3.658 10.144 4.286
243 HD12 LEU 34 HD12 LEU 34 -2.256 11.110 4.743
244 HD13 LEU 34 HD13 LEU 34 -2.544 9.552 5.519
245 HD21 LEU 34 HD21 LEU 34 -0.645 9.937 1.794
246 HD22 LEU 34 HD22 LEU 34 -0.731 11.202 3.020
247 HD23 LEU 34 HD23 LEU 34 -2.124 10.877 1.988
248 H THR 35 H THR 35 -0.080 5.606 4.052
249 HA THR 35 HA THR 35 2.480 5.431 5.395
250 HB THR 35 HB THR 35 0.492 4.636 6.580
251 HG1 THR 35 HG1 THR 35 1.705 3.164 7.415
252 HG21 THR 35 HG21 THR 35 -0.359 3.630 4.173
253 HG22 THR 35 HG22 THR 35 -1.072 3.299 5.752
254 HG23 THR 35 HG23 THR 35 0.118 2.189 5.071
255 H CYS 36 H CYS 36 1.525 5.070 2.303
256 HA CYS 36 HA CYS 36 3.452 2.904 1.822
257 HB2 CYS 36 HB2 CYS 36 0.926 3.377 0.243
258 HB3 CYS 36 HB3 CYS 36 2.099 2.092 -0.022
259 H GLN 37 H GLN 37 2.924 6.107 1.419
260 HA GLN 37 HA GLN 37 3.367 6.773 -1.182
261 HB2 GLN 37 HB2 GLN 37 4.240 8.857 -0.412
262 HB3 GLN 37 HB3 GLN 37 3.087 8.339 0.798
263 HG2 GLN 37 HG2 GLN 37 6.062 8.020 1.032
264 HG3 GLN 37 HG3 GLN 37 5.127 9.349 1.707
265 HE21 GLN 37 HE21 GLN 37 5.048 9.125 3.806
266 HE22 GLN 37 HE22 GLN 37 4.699 7.667 4.664
267 H ARG 38 H ARG 38 5.805 5.969 1.189
268 HA ARG 38 HA ARG 38 8.055 6.255 -0.429
269 HB2 ARG 38 HB2 ARG 38 9.277 5.065 1.204
270 HB3 ARG 38 HB3 ARG 38 8.014 5.909 2.082
271 HG2 ARG 38 HG2 ARG 38 7.744 3.033 1.256
272 HG3 ARG 38 HG3 ARG 38 8.504 3.522 2.766
273 HD2 ARG 38 HD2 ARG 38 6.450 4.707 3.400
274 HD3 ARG 38 HD3 ARG 38 5.689 4.165 1.909
275 HE ARG 38 HE ARG 38 5.304 2.142 2.904
276 HH11 ARG 38 HH11 ARG 38 7.870 3.745 4.643
277 HH12 ARG 38 HH12 ARG 38 7.972 2.523 5.868
278 HH21 ARG 38 HH21 ARG 38 5.435 0.536 4.513
279 HH22 ARG 38 HH22 ARG 38 6.590 0.703 5.794
280 H TYR 39 H TYR 39 6.076 3.345 0.166
281 HA TYR 39 HA TYR 39 7.578 1.708 -1.575
282 HB2 TYR 39 HB2 TYR 39 6.065 0.887 0.273
283 HB3 TYR 39 HB3 TYR 39 4.700 1.266 -0.771
284 HD1 TYR 39 HD1 TYR 39 4.624 0.131 -3.070
285 HD2 TYR 39 HD2 TYR 39 7.154 -1.173 0.091
286 HE1 TYR 39 HE1 TYR 39 4.856 -2.056 -4.168
287 HE2 TYR 39 HE2 TYR 39 7.392 -3.366 -0.997
288 HH TYR 39 HH TYR 39 7.197 -4.318 -3.283
289 H CYS 40 H CYS 40 4.527 3.475 -1.997
290 HA CYS 40 HA CYS 40 4.029 2.622 -4.631
291 HB2 CYS 40 HB2 CYS 40 3.317 5.238 -3.283
292 HB3 CYS 40 HB3 CYS 40 2.704 4.742 -4.855
293 H ASN 41 H ASN 41 6.145 5.069 -3.319
294 HA ASN 41 HA ASN 41 6.755 6.314 -5.766
295 HB2 ASN 41 HB2 ASN 41 7.682 7.749 -4.303
296 HB3 ASN 41 HB3 ASN 41 7.587 6.551 -3.020
297 HD21 ASN 41 HD21 ASN 41 9.332 4.857 -3.101
298 HD22 ASN 41 HD22 ASN 41 10.929 5.403 -3.474
299 H ALA 42 H ALA 42 7.596 3.358 -4.387
300 HA ALA 42 HA ALA 42 9.888 3.011 -6.155
301 HB1 ALA 42 HB1 ALA 42 8.980 0.857 -4.310
302 HB2 ALA 42 HB2 ALA 42 9.764 2.283 -3.631
303 HB3 ALA 42 HB3 ALA 42 10.613 1.288 -4.814
304 H SER 43 H SER 43 6.990 3.117 -6.863
305 HA SER 43 HA SER 43 7.007 0.804 -8.623
306 HB2 SER 43 HB2 SER 43 4.906 1.461 -6.601
307 HB3 SER 43 HB3 SER 43 4.399 0.785 -8.150
308 HG SER 43 HG SER 43 5.032 -0.652 -6.229
309 H VAL 44 H VAL 44 4.986 3.607 -7.748
310 HA VAL 44 HA VAL 44 3.770 5.027 -9.076
311 HB VAL 44 HB VAL 44 6.021 6.081 -8.888
312 HG11 VAL 44 HG11 VAL 44 6.513 4.939 -11.634
313 HG12 VAL 44 HG12 VAL 44 7.262 4.356 -10.150
314 HG13 VAL 44 HG13 VAL 44 7.586 5.992 -10.716
315 HG21 VAL 44 HG21 VAL 44 4.118 6.554 -11.089
316 HG22 VAL 44 HG22 VAL 44 5.685 7.350 -11.241
317 HG23 VAL 44 HG23 VAL 44 4.682 7.638 -9.818
318 H THR 45 H THR 45 3.266 2.562 -9.883
319 HA THR 45 HA THR 45 2.236 1.427 -11.562
320 HB THR 45 HB THR 45 2.641 4.016 -13.065
321 HG1 THR 45 HG1 THR 45 1.158 3.862 -11.213
322 HG21 THR 45 HG21 THR 45 1.026 1.614 -13.878
323 HG22 THR 45 HG22 THR 45 2.411 2.299 -14.730
324 HG23 THR 45 HG23 THR 45 0.907 3.212 -14.612
325 H ASN 46 H ASN 46 5.125 3.185 -12.700
326 HA ASN 46 HA ASN 46 6.283 0.711 -13.577
327 HB2 ASN 46 HB2 ASN 46 4.810 2.047 -15.452
328 HB3 ASN 46 HB3 ASN 46 6.417 2.717 -15.722
329 HD21 ASN 46 HD21 ASN 46 4.916 1.060 -17.498
330 HD22 ASN 46 HD22 ASN 46 5.833 -0.382 -17.751
331 H SER 47 H SER 47 8.324 1.811 -15.154
332 HA SER 47 HA SER 47 9.659 3.963 -14.570
333 HB2 SER 47 HB2 SER 47 11.232 3.135 -12.627
334 HB3 SER 47 HB3 SER 47 9.688 3.894 -12.242
335 HG SER 47 HG SER 47 10.195 1.103 -12.400
336 H VAL 48 H VAL 48 11.189 3.903 -16.050
337 HA VAL 48 HA VAL 48 13.380 2.290 -16.156
338 HB VAL 48 HB VAL 48 12.673 1.013 -18.336
339 HG11 VAL 48 HG11 VAL 48 13.186 -0.778 -17.122
340 HG12 VAL 48 HG12 VAL 48 11.758 -0.590 -16.105
341 HG13 VAL 48 HG13 VAL 48 13.233 0.298 -15.726
342 HG21 VAL 48 HG21 VAL 48 10.176 0.378 -16.919
343 HG22 VAL 48 HG22 VAL 48 10.499 0.508 -18.649
344 HG23 VAL 48 HG23 VAL 48 10.221 1.963 -17.692
345 H LYS 49 H LYS 49 14.393 4.010 -16.868
346 HA LYS 49 HA LYS 49 15.257 5.565 -18.292
347 HB2 LYS 49 HB2 LYS 49 14.012 3.581 -20.122
348 HB3 LYS 49 HB3 LYS 49 14.462 5.135 -20.808
349 HG2 LYS 49 HG2 LYS 49 16.743 4.658 -19.614
350 HG3 LYS 49 HG3 LYS 49 16.186 2.984 -19.684
351 HD2 LYS 49 HD2 LYS 49 17.097 2.970 -21.734
352 HD3 LYS 49 HD3 LYS 49 15.658 3.869 -22.218
353 HE2 LYS 49 HE2 LYS 49 16.807 5.772 -22.529
354 HE3 LYS 49 HE3 LYS 49 17.783 5.532 -21.081
355 HZ1 LYS 49 HZ1 LYS 49 19.409 4.521 -22.237
356 HZ2 LYS 49 HZ2 LYS 49 18.757 5.374 -23.544
357 HZ3 LYS 49 HZ3 LYS 49 18.347 3.751 -23.306
358 H CY1 50 H CY1 50 14.745 7.583 -19.091
359 HA CY1 50 HA CY1 50 11.927 8.323 -18.846
360 HB2 CY1 50 HB2 CY1 50 14.501 9.877 -18.774
361 HB3 CY1 50 HB3 CY1 50 12.957 10.692 -18.999
362 HD2 CY1 50 HD2 CY1 50 14.397 10.526 -15.288
363 HD3 CY1 50 HD3 CY1 50 15.226 11.226 -16.772
364 HE CY1 50 HE CY1 50 13.001 12.629 -16.723
365 HM1 CY1 50 HM1 CY1 50 12.100 14.266 -14.048
366 HM2 CY1 50 HM2 CY1 50 12.298 14.385 -15.827
367 HM3 CY1 50 HM3 CY1 50 13.465 15.118 -14.743
368 HN1 NH2 51 HN1 NH2 51 14.646 8.816 -21.099
369 HN2 NH2 51 HN2 NH2 51 13.656 9.107 -22.486
Start of MODEL 15
1 H1 LEU 1 H1 LEU 1 -5.306 -3.930 14.600
2 H2 LEU 1 H2 LEU 1 -6.284 -2.532 14.411
3 H3 LEU 1 H3 LEU 1 -6.362 -3.447 15.861
4 HA LEU 1 HA LEU 1 -5.088 -1.329 15.935
5 HB2 LEU 1 HB2 LEU 1 -3.317 -2.409 17.307
6 HB3 LEU 1 HB3 LEU 1 -4.936 -2.975 17.669
7 HG LEU 1 HG LEU 1 -3.273 -4.531 15.739
8 HD11 LEU 1 HD11 LEU 1 -1.824 -5.336 17.240
9 HD12 LEU 1 HD12 LEU 1 -3.037 -5.400 18.518
10 HD13 LEU 1 HD13 LEU 1 -2.204 -3.886 18.169
11 HD21 LEU 1 HD21 LEU 1 -5.317 -5.522 15.870
12 HD22 LEU 1 HD22 LEU 1 -5.607 -4.962 17.517
13 HD23 LEU 1 HD23 LEU 1 -4.532 -6.330 17.227
14 H GLN 2 H GLN 2 -2.820 -0.566 15.762
15 HA GLN 2 HA GLN 2 -1.942 -0.625 13.087
16 HB2 GLN 2 HB2 GLN 2 0.008 0.653 13.921
17 HB3 GLN 2 HB3 GLN 2 -1.524 1.302 14.486
18 HG2 GLN 2 HG2 GLN 2 -0.259 -0.659 16.270
19 HG3 GLN 2 HG3 GLN 2 0.619 0.855 16.060
20 HE21 GLN 2 HE21 GLN 2 -0.906 2.830 16.153
21 HE22 GLN 2 HE22 GLN 2 -2.016 2.842 17.477
22 H MET 3 H MET 3 -0.341 -1.710 12.063
23 HA MET 3 HA MET 3 1.437 -3.116 11.717
24 HB2 MET 3 HB2 MET 3 2.172 -2.450 14.084
25 HB3 MET 3 HB3 MET 3 1.405 -3.941 14.612
26 HG2 MET 3 HG2 MET 3 3.793 -4.236 14.300
27 HG3 MET 3 HG3 MET 3 2.873 -5.231 13.173
28 HE1 MET 3 HE1 MET 3 5.919 -2.182 12.738
29 HE2 MET 3 HE2 MET 3 4.609 -2.120 13.917
30 HE3 MET 3 HE3 MET 3 4.498 -1.185 12.426
31 H ALA 4 H ALA 4 -1.230 -4.185 13.754
32 HA ALA 4 HA ALA 4 -2.331 -6.192 13.910
33 HB1 ALA 4 HB1 ALA 4 -3.588 -5.695 12.112
34 HB2 ALA 4 HB2 ALA 4 -2.716 -7.047 11.389
35 HB3 ALA 4 HB3 ALA 4 -2.190 -5.393 11.082
36 H GLY 5 H GLY 5 -1.008 -7.645 14.943
37 HA2 GLY 5 HA2 GLY 5 0.614 -9.340 15.193
38 HA3 GLY 5 HA3 GLY 5 -0.411 -10.077 13.971
39 H GLN 6 H GLN 6 1.622 -7.257 13.340
40 HA GLN 6 HA GLN 6 3.545 -7.009 12.149
41 HB2 GLN 6 HB2 GLN 6 4.040 -9.378 13.347
42 HB3 GLN 6 HB3 GLN 6 3.987 -9.903 11.670
43 HG2 GLN 6 HG2 GLN 6 6.244 -9.434 12.181
44 HG3 GLN 6 HG3 GLN 6 5.667 -8.122 11.153
45 HE21 GLN 6 HE21 GLN 6 7.780 -8.464 13.348
46 HE22 GLN 6 HE22 GLN 6 7.534 -7.084 14.358
47 H CYS 7 H CYS 7 1.779 -6.316 10.783
48 HA CYS 7 HA CYS 7 0.462 -7.544 8.787
49 HB2 CYS 7 HB2 CYS 7 1.808 -4.884 8.873
50 HB3 CYS 7 HB3 CYS 7 1.098 -5.427 7.354
51 H SER 8 H SER 8 0.778 -8.287 6.727
52 HA SER 8 HA SER 8 3.274 -9.437 6.114
53 HB2 SER 8 HB2 SER 8 0.873 -8.889 4.351
54 HB3 SER 8 HB3 SER 8 2.266 -9.844 3.850
55 HG SER 8 HG SER 8 0.465 -10.406 5.968
56 H GLN 9 H GLN 9 4.844 -8.811 4.590
57 HA GLN 9 HA GLN 9 5.554 -6.183 4.571
58 HB2 GLN 9 HB2 GLN 9 6.979 -8.174 3.933
59 HB3 GLN 9 HB3 GLN 9 6.251 -8.082 2.335
60 HG2 GLN 9 HG2 GLN 9 7.065 -5.583 2.485
61 HG3 GLN 9 HG3 GLN 9 8.203 -6.270 3.642
62 HE21 GLN 9 HE21 GLN 9 7.054 -6.424 0.332
63 HE22 GLN 9 HE22 GLN 9 8.484 -7.132 -0.331
64 H ASN 10 H ASN 10 5.081 -4.432 3.563
65 HA ASN 10 HA ASN 10 4.177 -2.944 2.147
66 HB2 ASN 10 HB2 ASN 10 3.893 -5.262 0.232
67 HB3 ASN 10 HB3 ASN 10 3.780 -3.550 -0.186
68 HD21 ASN 10 HD21 ASN 10 5.582 -4.839 -1.639
69 HD22 ASN 10 HD22 ASN 10 7.191 -4.539 -1.088
70 H GLU 11 H GLU 11 2.538 -4.511 4.011
71 HA GLU 11 HA GLU 11 -0.022 -4.193 2.596
72 HB2 GLU 11 HB2 GLU 11 0.877 -6.377 4.110
73 HB3 GLU 11 HB3 GLU 11 -0.368 -5.597 5.072
74 HG2 GLU 11 HG2 GLU 11 -1.956 -6.492 3.819
75 HG3 GLU 11 HG3 GLU 11 -1.256 -5.804 2.355
76 H TYR 12 H TYR 12 -1.696 -2.960 3.390
77 HA TYR 12 HA TYR 12 -0.894 -1.438 5.820
78 HB2 TYR 12 HB2 TYR 12 -1.750 0.589 4.952
79 HB3 TYR 12 HB3 TYR 12 -0.721 -0.101 3.708
80 HD1 TYR 12 HD1 TYR 12 -1.908 -1.403 1.819
81 HD2 TYR 12 HD2 TYR 12 -3.909 1.272 4.441
82 HE1 TYR 12 HE1 TYR 12 -3.740 -1.191 0.194
83 HE2 TYR 12 HE2 TYR 12 -5.734 1.494 2.813
84 HH TYR 12 HH TYR 12 -5.918 1.196 0.189
85 H PHE 13 H PHE 13 -2.146 -1.590 7.454
86 HA PHE 13 HA PHE 13 -4.700 -2.907 7.308
87 HB2 PHE 13 HB2 PHE 13 -3.238 -3.393 9.173
88 HB3 PHE 13 HB3 PHE 13 -3.160 -1.691 9.610
89 HD1 PHE 13 HD1 PHE 13 -5.499 -4.559 9.322
90 HD2 PHE 13 HD2 PHE 13 -4.684 -0.785 11.112
91 HE1 PHE 13 HE1 PHE 13 -7.425 -4.859 10.825
92 HE2 PHE 13 HE2 PHE 13 -6.604 -1.078 12.620
93 HZ PHE 13 HZ PHE 13 -7.979 -3.119 12.478
94 H ASP 14 H ASP 14 -6.046 -1.547 6.158
95 HA ASP 14 HA ASP 14 -6.393 1.208 6.687
96 HB2 ASP 14 HB2 ASP 14 -7.256 -0.429 4.733
97 HB3 ASP 14 HB3 ASP 14 -8.721 -0.342 5.705
98 H SER 15 H SER 15 -6.954 1.960 8.637
99 HA SER 15 HA SER 15 -8.313 0.508 10.580
100 HB2 SER 15 HB2 SER 15 -7.128 2.365 11.411
101 HB3 SER 15 HB3 SER 15 -7.871 3.479 10.262
102 HG SER 15 HG SER 15 -9.320 2.121 12.283
103 H LEU 16 H LEU 16 -9.541 1.798 7.724
104 HA LEU 16 HA LEU 16 -12.239 2.120 8.779
105 HB2 LEU 16 HB2 LEU 16 -11.451 3.771 7.163
106 HB3 LEU 16 HB3 LEU 16 -11.117 2.501 6.000
107 HG LEU 16 HG LEU 16 -13.906 2.750 7.011
108 HD11 LEU 16 HD11 LEU 16 -14.133 4.362 4.931
109 HD12 LEU 16 HD12 LEU 16 -12.485 4.789 5.389
110 HD13 LEU 16 HD13 LEU 16 -13.799 4.977 6.550
111 HD21 LEU 16 HD21 LEU 16 -14.410 1.542 5.187
112 HD22 LEU 16 HD22 LEU 16 -12.689 1.157 5.179
113 HD23 LEU 16 HD23 LEU 16 -13.308 2.452 4.154
114 H LEU 17 H LEU 17 -10.239 -0.100 7.038
115 HA LEU 17 HA LEU 17 -12.524 -1.799 6.359
116 HB2 LEU 17 HB2 LEU 17 -9.625 -2.027 5.555
117 HB3 LEU 17 HB3 LEU 17 -10.951 -3.000 4.936
118 HG LEU 17 HG LEU 17 -11.012 -0.023 4.620
119 HD11 LEU 17 HD11 LEU 17 -10.001 -1.326 2.268
120 HD12 LEU 17 HD12 LEU 17 -8.919 -1.598 3.634
121 HD13 LEU 17 HD13 LEU 17 -9.344 0.046 3.162
122 HD21 LEU 17 HD21 LEU 17 -12.000 -2.166 2.761
123 HD22 LEU 17 HD22 LEU 17 -12.475 -0.470 2.837
124 HD23 LEU 17 HD23 LEU 17 -12.962 -1.579 4.118
125 H HIS 18 H HIS 18 -9.799 -1.572 8.510
126 HA HIS 18 HA HIS 18 -9.088 -2.888 10.225
127 HB2 HIS 18 HB2 HIS 18 -11.664 -4.398 9.819
128 HB3 HIS 18 HB3 HIS 18 -10.660 -4.398 11.262
129 HD1 HIS 18 HD1 HIS 18 -10.344 -1.719 12.190
130 HD2 HIS 18 HD2 HIS 18 -13.797 -2.781 10.137
131 HE1 HIS 18 HE1 HIS 18 -12.054 0.017 12.809
132 HE2 HIS 18 HE2 HIS 18 -14.113 -0.602 11.495
133 H ALA 19 H ALA 19 -7.972 -3.459 7.902
134 HA ALA 19 HA ALA 19 -7.196 -6.181 8.159
135 HB1 ALA 19 HB1 ALA 19 -8.442 -7.190 6.622
136 HB2 ALA 19 HB2 ALA 19 -8.009 -5.967 5.421
137 HB3 ALA 19 HB3 ALA 19 -9.400 -5.714 6.483
138 H CYS 20 H CYS 20 -5.130 -6.248 7.615
139 HA CYS 20 HA CYS 20 -3.930 -4.047 6.273
140 HB2 CYS 20 HB2 CYS 20 -2.944 -6.134 7.860
141 HB3 CYS 20 HB3 CYS 20 -2.225 -6.361 6.269
142 H ILE 21 H ILE 21 -4.211 -3.728 4.278
143 HA ILE 21 HA ILE 21 -4.413 -5.934 2.342
144 HB ILE 21 HB ILE 21 -5.485 -3.127 2.308
145 HG12 ILE 21 HG12 ILE 21 -7.142 -5.640 2.368
146 HG13 ILE 21 HG13 ILE 21 -6.525 -4.925 3.852
147 HG21 ILE 21 HG21 ILE 21 -6.541 -3.545 0.246
148 HG22 ILE 21 HG22 ILE 21 -6.216 -5.273 0.330
149 HG23 ILE 21 HG23 ILE 21 -4.895 -4.137 0.045
150 HD11 ILE 21 HD11 ILE 21 -8.862 -4.268 2.439
151 HD12 ILE 21 HD12 ILE 21 -7.768 -2.891 2.294
152 HD13 ILE 21 HD13 ILE 21 -8.211 -3.503 3.888
153 HA PRO 22 HA PRO 22 -0.761 -4.348 0.385
154 HB2 PRO 22 HB2 PRO 22 -1.381 -4.834 -2.257
155 HB3 PRO 22 HB3 PRO 22 -0.724 -6.042 -1.149
156 HG2 PRO 22 HG2 PRO 22 -3.565 -5.560 -1.962
157 HG3 PRO 22 HG3 PRO 22 -2.706 -7.100 -1.751
158 HD2 PRO 22 HD2 PRO 22 -4.382 -6.188 0.137
159 HD3 PRO 22 HD3 PRO 22 -2.879 -7.020 0.576
160 H CYS 23 H CYS 23 -0.234 -2.304 -0.042
161 HA CYS 23 HA CYS 23 -2.205 -0.317 -0.583
162 HB2 CYS 23 HB2 CYS 23 0.713 0.226 -0.999
163 HB3 CYS 23 HB3 CYS 23 -0.527 1.259 -0.302
164 H GLN 24 H GLN 24 0.119 -2.038 -2.563
165 HA GLN 24 HA GLN 24 0.377 -0.575 -4.816
166 HB2 GLN 24 HB2 GLN 24 -0.361 -3.401 -5.317
167 HB3 GLN 24 HB3 GLN 24 1.005 -2.476 -5.918
168 HG2 GLN 24 HG2 GLN 24 1.943 -2.613 -3.565
169 HG3 GLN 24 HG3 GLN 24 0.694 -3.819 -3.257
170 HE21 GLN 24 HE21 GLN 24 2.882 -3.141 -5.971
171 HE22 GLN 24 HE22 GLN 24 3.527 -4.740 -6.073
172 H LEU 25 H LEU 25 -2.304 -2.788 -4.284
173 HA LEU 25 HA LEU 25 -3.714 -2.125 -6.611
174 HB2 LEU 25 HB2 LEU 25 -4.403 -3.510 -4.067
175 HB3 LEU 25 HB3 LEU 25 -5.697 -3.062 -5.162
176 HG LEU 25 HG LEU 25 -3.380 -4.569 -6.273
177 HD11 LEU 25 HD11 LEU 25 -3.866 -6.560 -5.332
178 HD12 LEU 25 HD12 LEU 25 -5.586 -6.197 -5.191
179 HD13 LEU 25 HD13 LEU 25 -4.449 -5.547 -4.012
180 HD21 LEU 25 HD21 LEU 25 -5.483 -5.645 -7.416
181 HD22 LEU 25 HD22 LEU 25 -4.874 -4.076 -7.942
182 HD23 LEU 25 HD23 LEU 25 -6.271 -4.165 -6.868
183 H ARG 26 H ARG 26 -3.219 -0.222 -3.897
184 HA ARG 26 HA ARG 26 -5.593 1.368 -4.533
185 HB2 ARG 26 HB2 ARG 26 -4.351 1.155 -1.812
186 HB3 ARG 26 HB3 ARG 26 -5.860 1.958 -2.229
187 HG2 ARG 26 HG2 ARG 26 -5.957 -0.780 -3.068
188 HG3 ARG 26 HG3 ARG 26 -5.499 -0.690 -1.368
189 HD2 ARG 26 HD2 ARG 26 -7.697 -0.538 -0.987
190 HD3 ARG 26 HD3 ARG 26 -7.511 1.137 -1.493
191 HE ARG 26 HE ARG 26 -7.976 -0.649 -3.691
192 HH11 ARG 26 HH11 ARG 26 -9.531 1.222 -1.189
193 HH12 ARG 26 HH12 ARG 26 -11.031 1.349 -2.043
194 HH21 ARG 26 HH21 ARG 26 -9.948 -0.483 -4.816
195 HH22 ARG 26 HH22 ARG 26 -11.269 0.381 -4.103
196 H CYS 27 H CYS 27 -2.410 1.360 -4.790
197 HA CYS 27 HA CYS 27 -1.647 3.921 -3.827
198 HB2 CYS 27 HB2 CYS 27 -0.384 2.121 -5.899
199 HB3 CYS 27 HB3 CYS 27 0.354 3.603 -5.301
200 H SER 28 H SER 28 -3.914 4.579 -5.015
201 HA SER 28 HA SER 28 -3.218 6.454 -6.929
202 HB2 SER 28 HB2 SER 28 -4.162 3.840 -7.777
203 HB3 SER 28 HB3 SER 28 -5.079 5.173 -8.480
204 HG SER 28 HG SER 28 -3.469 5.357 -9.814
205 H SER 29 H SER 29 -4.302 7.382 -4.904
206 HA SER 29 HA SER 29 -6.049 8.552 -4.023
207 HB2 SER 29 HB2 SER 29 -7.705 9.300 -5.423
208 HB3 SER 29 HB3 SER 29 -6.502 8.785 -6.606
209 HG SER 29 HG SER 29 -8.866 7.461 -5.802
210 H ASN 30 H ASN 30 -7.869 8.214 -2.774
211 HA ASN 30 HA ASN 30 -9.562 7.040 -1.724
212 HB2 ASN 30 HB2 ASN 30 -9.526 5.597 -3.978
213 HB3 ASN 30 HB3 ASN 30 -8.797 4.409 -2.902
214 HD21 ASN 30 HD21 ASN 30 -11.443 6.773 -2.718
215 HD22 ASN 30 HD22 ASN 30 -12.606 5.670 -2.072
216 H THR 31 H THR 31 -8.053 7.587 -0.052
217 HA THR 31 HA THR 31 -7.152 7.005 1.943
218 HB THR 31 HB THR 31 -8.218 4.631 1.118
219 HG1 THR 31 HG1 THR 31 -6.818 5.273 3.491
220 HG21 THR 31 HG21 THR 31 -6.097 3.755 0.294
221 HG22 THR 31 HG22 THR 31 -6.649 2.871 1.717
222 HG23 THR 31 HG23 THR 31 -5.357 4.063 1.864
223 HA PRO 32 HA PRO 32 -3.125 7.620 0.003
224 HB2 PRO 32 HB2 PRO 32 -2.014 9.125 1.951
225 HB3 PRO 32 HB3 PRO 32 -3.171 9.777 0.784
226 HG2 PRO 32 HG2 PRO 32 -3.612 8.872 3.601
227 HG3 PRO 32 HG3 PRO 32 -4.233 10.323 2.781
228 HD2 PRO 32 HD2 PRO 32 -5.754 8.060 3.114
229 HD3 PRO 32 HD3 PRO 32 -5.954 9.136 1.707
230 HA PRO 33 HA PRO 33 -0.748 4.523 2.133
231 HB2 PRO 33 HB2 PRO 33 1.377 4.504 0.552
232 HB3 PRO 33 HB3 PRO 33 -0.203 4.015 -0.072
233 HG2 PRO 33 HG2 PRO 33 1.253 6.601 -0.422
234 HG3 PRO 33 HG3 PRO 33 0.310 5.683 -1.605
235 HD2 PRO 33 HD2 PRO 33 -0.615 7.868 -0.165
236 HD3 PRO 33 HD3 PRO 33 -1.639 6.658 -0.960
237 H LEU 34 H LEU 34 -0.493 5.841 4.088
238 HA LEU 34 HA LEU 34 1.677 7.645 4.277
239 HB2 LEU 34 HB2 LEU 34 0.500 6.172 6.629
240 HB3 LEU 34 HB3 LEU 34 1.300 7.728 6.626
241 HG LEU 34 HG LEU 34 -1.428 7.105 5.500
242 HD11 LEU 34 HD11 LEU 34 -0.698 7.615 8.084
243 HD12 LEU 34 HD12 LEU 34 -2.292 7.917 7.392
244 HD13 LEU 34 HD13 LEU 34 -1.109 9.222 7.484
245 HD21 LEU 34 HD21 LEU 34 0.052 8.805 4.234
246 HD22 LEU 34 HD22 LEU 34 -0.215 9.839 5.638
247 HD23 LEU 34 HD23 LEU 34 -1.587 9.272 4.685
248 H THR 35 H THR 35 1.371 4.214 5.202
249 HA THR 35 HA THR 35 4.215 4.136 5.750
250 HB THR 35 HB THR 35 2.671 2.915 7.232
251 HG1 THR 35 HG1 THR 35 3.836 1.008 7.244
252 HG21 THR 35 HG21 THR 35 1.815 0.687 6.267
253 HG22 THR 35 HG22 THR 35 1.912 1.510 4.710
254 HG23 THR 35 HG23 THR 35 0.881 2.157 5.988
255 H CYS 36 H CYS 36 2.429 4.182 3.007
256 HA CYS 36 HA CYS 36 4.276 2.328 1.665
257 HB2 CYS 36 HB2 CYS 36 1.338 2.550 1.481
258 HB3 CYS 36 HB3 CYS 36 2.190 2.309 -0.040
259 H GLN 37 H GLN 37 3.372 5.527 1.924
260 HA GLN 37 HA GLN 37 3.176 6.572 -0.574
261 HB2 GLN 37 HB2 GLN 37 4.013 7.531 2.009
262 HB3 GLN 37 HB3 GLN 37 4.983 8.283 0.750
263 HG2 GLN 37 HG2 GLN 37 3.203 9.382 -0.165
264 HG3 GLN 37 HG3 GLN 37 2.034 8.191 0.401
265 HE21 GLN 37 HE21 GLN 37 4.500 10.158 2.027
266 HE22 GLN 37 HE22 GLN 37 3.422 10.868 3.175
267 H ARG 38 H ARG 38 6.008 5.144 0.824
268 HA ARG 38 HA ARG 38 7.792 6.171 -1.184
269 HB2 ARG 38 HB2 ARG 38 9.051 5.768 0.663
270 HB3 ARG 38 HB3 ARG 38 7.986 4.500 1.242
271 HG2 ARG 38 HG2 ARG 38 9.352 2.929 0.507
272 HG3 ARG 38 HG3 ARG 38 9.386 3.624 -1.110
273 HD2 ARG 38 HD2 ARG 38 11.620 3.539 -0.220
274 HD3 ARG 38 HD3 ARG 38 11.106 5.211 -0.381
275 HE ARG 38 HE ARG 38 11.426 3.726 2.133
276 HH11 ARG 38 HH11 ARG 38 10.771 6.747 0.495
277 HH12 ARG 38 HH12 ARG 38 11.010 7.705 1.915
278 HH21 ARG 38 HH21 ARG 38 11.737 4.995 3.993
279 HH22 ARG 38 HH22 ARG 38 11.557 6.714 3.896
280 H TYR 39 H TYR 39 6.154 3.108 -0.499
281 HA TYR 39 HA TYR 39 7.259 1.772 -2.753
282 HB2 TYR 39 HB2 TYR 39 6.497 0.628 -0.656
283 HB3 TYR 39 HB3 TYR 39 4.839 0.965 -1.143
284 HD1 TYR 39 HD1 TYR 39 4.076 0.050 -3.420
285 HD2 TYR 39 HD2 TYR 39 7.575 -1.300 -1.413
286 HE1 TYR 39 HE1 TYR 39 4.056 -1.999 -4.778
287 HE2 TYR 39 HE2 TYR 39 7.569 -3.351 -2.770
288 HH TYR 39 HH TYR 39 4.981 -4.415 -4.482
289 H CYS 40 H CYS 40 4.235 3.463 -2.109
290 HA CYS 40 HA CYS 40 2.880 2.605 -4.418
291 HB2 CYS 40 HB2 CYS 40 2.601 5.058 -2.691
292 HB3 CYS 40 HB3 CYS 40 1.595 4.819 -4.119
293 H ASN 41 H ASN 41 5.062 5.329 -3.848
294 HA ASN 41 HA ASN 41 4.803 6.420 -6.422
295 HB2 ASN 41 HB2 ASN 41 6.118 8.033 -5.573
296 HB3 ASN 41 HB3 ASN 41 6.185 7.100 -4.085
297 HD21 ASN 41 HD21 ASN 41 7.826 5.168 -4.352
298 HD22 ASN 41 HD22 ASN 41 9.383 5.647 -4.927
299 H ALA 42 H ALA 42 6.339 3.665 -5.242
300 HA ALA 42 HA ALA 42 7.929 3.371 -7.687
301 HB1 ALA 42 HB1 ALA 42 9.402 2.072 -6.549
302 HB2 ALA 42 HB2 ALA 42 8.144 1.331 -5.560
303 HB3 ALA 42 HB3 ALA 42 8.744 2.941 -5.163
304 H SER 43 H SER 43 5.019 3.116 -7.384
305 HA SER 43 HA SER 43 4.649 0.796 -8.989
306 HB2 SER 43 HB2 SER 43 3.097 -0.396 -7.480
307 HB3 SER 43 HB3 SER 43 4.727 -0.319 -6.808
308 HG SER 43 HG SER 43 2.485 0.503 -5.694
309 H VAL 44 H VAL 44 4.120 3.689 -8.987
310 HA VAL 44 HA VAL 44 1.208 3.662 -9.250
311 HB VAL 44 HB VAL 44 1.459 6.217 -9.184
312 HG11 VAL 44 HG11 VAL 44 2.024 5.842 -6.515
313 HG12 VAL 44 HG12 VAL 44 1.424 4.265 -7.028
314 HG13 VAL 44 HG13 VAL 44 0.436 5.705 -7.270
315 HG21 VAL 44 HG21 VAL 44 3.854 6.348 -9.487
316 HG22 VAL 44 HG22 VAL 44 4.122 5.416 -8.014
317 HG23 VAL 44 HG23 VAL 44 3.418 7.030 -7.920
318 H THR 45 H THR 45 2.586 2.568 -11.220
319 HA THR 45 HA THR 45 2.857 2.543 -13.472
320 HB THR 45 HB THR 45 1.287 5.086 -13.581
321 HG1 THR 45 HG1 THR 45 0.238 2.512 -13.063
322 HG21 THR 45 HG21 THR 45 1.229 4.570 -15.742
323 HG22 THR 45 HG22 THR 45 0.160 3.240 -15.291
324 HG23 THR 45 HG23 THR 45 1.896 2.964 -15.447
325 H ASN 46 H ASN 46 3.201 4.528 -15.371
326 HA ASN 46 HA ASN 46 4.574 6.192 -16.139
327 HB2 ASN 46 HB2 ASN 46 4.409 6.910 -13.499
328 HB3 ASN 46 HB3 ASN 46 6.136 6.620 -13.684
329 HD21 ASN 46 HD21 ASN 46 6.900 7.536 -15.954
330 HD22 ASN 46 HD22 ASN 46 6.470 9.189 -16.209
331 H SER 47 H SER 47 5.577 4.614 -17.395
332 HA SER 47 HA SER 47 7.410 3.580 -18.252
333 HB2 SER 47 HB2 SER 47 8.641 5.460 -16.958
334 HB3 SER 47 HB3 SER 47 8.994 4.205 -15.770
335 HG SER 47 HG SER 47 10.665 4.301 -17.265
336 H VAL 48 H VAL 48 5.714 1.907 -17.492
337 HA VAL 48 HA VAL 48 5.174 -0.088 -16.610
338 HB VAL 48 HB VAL 48 7.018 -1.759 -16.483
339 HG11 VAL 48 HG11 VAL 48 7.115 -0.526 -19.184
340 HG12 VAL 48 HG12 VAL 48 5.542 -0.989 -18.532
341 HG13 VAL 48 HG13 VAL 48 6.812 -2.198 -18.714
342 HG21 VAL 48 HG21 VAL 48 8.882 -0.214 -16.079
343 HG22 VAL 48 HG22 VAL 48 8.659 0.466 -17.690
344 HG23 VAL 48 HG23 VAL 48 9.162 -1.213 -17.504
345 H LYS 49 H LYS 49 4.477 0.443 -14.711
346 HA LYS 49 HA LYS 49 4.282 0.511 -12.440
347 HB2 LYS 49 HB2 LYS 49 4.833 -1.834 -12.594
348 HB3 LYS 49 HB3 LYS 49 6.549 -1.472 -12.677
349 HG2 LYS 49 HG2 LYS 49 6.655 -0.886 -10.421
350 HG3 LYS 49 HG3 LYS 49 4.906 -0.684 -10.299
351 HD2 LYS 49 HD2 LYS 49 6.224 -3.331 -10.871
352 HD3 LYS 49 HD3 LYS 49 5.850 -2.774 -9.239
353 HE2 LYS 49 HE2 LYS 49 3.475 -2.547 -9.914
354 HE3 LYS 49 HE3 LYS 49 3.891 -3.231 -11.486
355 HZ1 LYS 49 HZ1 LYS 49 4.162 -5.299 -10.619
356 HZ2 LYS 49 HZ2 LYS 49 3.006 -4.719 -9.529
357 HZ3 LYS 49 HZ3 LYS 49 4.640 -4.741 -9.095
358 H CY1 50 H CY1 50 7.783 -0.011 -12.380
359 HA CY1 50 HA CY1 50 8.071 2.650 -11.151
360 HB2 CY1 50 HB2 CY1 50 8.563 0.769 -9.627
361 HB3 CY1 50 HB3 CY1 50 9.794 0.195 -10.747
362 HD2 CY1 50 HD2 CY1 50 12.155 0.867 -8.908
363 HD3 CY1 50 HD3 CY1 50 11.815 0.712 -10.802
364 HE CY1 50 HE CY1 50 13.524 2.222 -11.070
365 HM1 CY1 50 HM1 CY1 50 14.558 4.226 -10.732
366 HM2 CY1 50 HM2 CY1 50 15.764 3.344 -9.738
367 HM3 CY1 50 HM3 CY1 50 14.900 4.723 -9.086
368 HN1 NH2 51 HN1 NH2 51 10.184 0.290 -12.808
369 HN2 NH2 51 HN2 NH2 51 10.952 1.453 -13.828
Start of MODEL 16
1 H1 LEU 1 H1 LEU 1 -2.072 -10.885 14.058
2 H2 LEU 1 H2 LEU 1 -3.319 -10.848 15.237
3 H3 LEU 1 H3 LEU 1 -2.764 -9.387 14.524
4 HA LEU 1 HA LEU 1 -3.996 -11.576 13.001
5 HB2 LEU 1 HB2 LEU 1 -5.148 -9.625 14.815
6 HB3 LEU 1 HB3 LEU 1 -5.772 -9.426 13.189
7 HG LEU 1 HG LEU 1 -5.797 -12.215 13.895
8 HD11 LEU 1 HD11 LEU 1 -6.728 -10.313 15.963
9 HD12 LEU 1 HD12 LEU 1 -6.103 -11.954 16.126
10 HD13 LEU 1 HD13 LEU 1 -7.767 -11.691 15.603
11 HD21 LEU 1 HD21 LEU 1 -7.150 -11.211 12.143
12 HD22 LEU 1 HD22 LEU 1 -7.991 -10.223 13.338
13 HD23 LEU 1 HD23 LEU 1 -8.176 -11.977 13.356
14 H GLN 2 H GLN 2 -4.051 -8.016 13.102
15 HA GLN 2 HA GLN 2 -2.833 -7.968 10.432
16 HB2 GLN 2 HB2 GLN 2 -4.486 -6.015 9.975
17 HB3 GLN 2 HB3 GLN 2 -5.032 -7.673 9.775
18 HG2 GLN 2 HG2 GLN 2 -5.513 -6.897 12.466
19 HG3 GLN 2 HG3 GLN 2 -6.125 -5.635 11.402
20 HE21 GLN 2 HE21 GLN 2 -7.766 -6.124 9.936
21 HE22 GLN 2 HE22 GLN 2 -8.753 -7.532 10.105
22 H MET 3 H MET 3 -1.068 -6.803 10.550
23 HA MET 3 HA MET 3 0.382 -5.100 10.966
24 HB2 MET 3 HB2 MET 3 -0.977 -3.333 10.462
25 HB3 MET 3 HB3 MET 3 -2.186 -3.785 11.644
26 HG2 MET 3 HG2 MET 3 0.474 -2.766 12.552
27 HG3 MET 3 HG3 MET 3 -0.756 -1.641 11.979
28 HE1 MET 3 HE1 MET 3 -1.404 -0.325 13.537
29 HE2 MET 3 HE2 MET 3 -0.518 -0.658 15.025
30 HE3 MET 3 HE3 MET 3 -2.282 -0.680 15.025
31 H ALA 4 H ALA 4 -1.853 -5.681 13.607
32 HA ALA 4 HA ALA 4 0.106 -5.114 15.602
33 HB1 ALA 4 HB1 ALA 4 -2.609 -5.241 15.501
34 HB2 ALA 4 HB2 ALA 4 -1.650 -5.140 16.979
35 HB3 ALA 4 HB3 ALA 4 -2.205 -6.708 16.393
36 H GLY 5 H GLY 5 1.574 -6.739 14.275
37 HA2 GLY 5 HA2 GLY 5 2.467 -8.773 15.747
38 HA3 GLY 5 HA3 GLY 5 1.097 -9.531 14.946
39 H GLN 6 H GLN 6 1.165 -8.659 12.402
40 HA GLN 6 HA GLN 6 3.567 -8.335 11.134
41 HB2 GLN 6 HB2 GLN 6 3.595 -10.838 12.242
42 HB3 GLN 6 HB3 GLN 6 2.991 -11.175 10.628
43 HG2 GLN 6 HG2 GLN 6 5.340 -11.426 10.568
44 HG3 GLN 6 HG3 GLN 6 4.956 -9.928 9.722
45 HE21 GLN 6 HE21 GLN 6 7.171 -11.203 11.618
46 HE22 GLN 6 HE22 GLN 6 7.654 -9.830 12.548
47 H CYS 7 H CYS 7 1.762 -7.066 10.287
48 HA CYS 7 HA CYS 7 -0.398 -7.809 8.818
49 HB2 CYS 7 HB2 CYS 7 1.455 -5.566 8.605
50 HB3 CYS 7 HB3 CYS 7 0.793 -6.016 7.047
51 H SER 8 H SER 8 -0.832 -8.387 6.608
52 HA SER 8 HA SER 8 0.751 -10.438 5.580
53 HB2 SER 8 HB2 SER 8 -1.282 -8.648 4.231
54 HB3 SER 8 HB3 SER 8 -0.505 -9.998 3.404
55 HG SER 8 HG SER 8 -2.607 -10.060 5.012
56 H GLN 9 H GLN 9 2.255 -10.507 3.853
57 HA GLN 9 HA GLN 9 4.165 -8.546 3.848
58 HB2 GLN 9 HB2 GLN 9 3.580 -10.894 2.175
59 HB3 GLN 9 HB3 GLN 9 4.573 -9.669 1.396
60 HG2 GLN 9 HG2 GLN 9 6.363 -10.275 2.551
61 HG3 GLN 9 HG3 GLN 9 5.489 -10.186 4.079
62 HE21 GLN 9 HE21 GLN 9 4.506 -12.033 4.900
63 HE22 GLN 9 HE22 GLN 9 4.902 -13.616 4.331
64 H ASN 10 H ASN 10 4.387 -6.630 3.030
65 HA ASN 10 HA ASN 10 4.005 -4.731 1.850
66 HB2 ASN 10 HB2 ASN 10 4.429 -6.565 -0.062
67 HB3 ASN 10 HB3 ASN 10 2.753 -6.173 -0.437
68 HD21 ASN 10 HD21 ASN 10 5.461 -4.197 0.712
69 HD22 ASN 10 HD22 ASN 10 5.400 -3.057 -0.582
70 H GLU 11 H GLU 11 1.962 -5.882 3.569
71 HA GLU 11 HA GLU 11 -0.362 -4.601 2.320
72 HB2 GLU 11 HB2 GLU 11 -0.155 -7.138 3.711
73 HB3 GLU 11 HB3 GLU 11 -1.444 -6.123 4.330
74 HG2 GLU 11 HG2 GLU 11 -2.666 -7.037 2.710
75 HG3 GLU 11 HG3 GLU 11 -1.833 -5.901 1.653
76 H TYR 12 H TYR 12 -1.693 -3.215 3.444
77 HA TYR 12 HA TYR 12 -0.464 -2.331 6.002
78 HB2 TYR 12 HB2 TYR 12 -0.703 -0.106 5.483
79 HB3 TYR 12 HB3 TYR 12 -0.283 -0.791 3.922
80 HD1 TYR 12 HD1 TYR 12 -2.010 -0.991 2.158
81 HD2 TYR 12 HD2 TYR 12 -2.827 0.912 5.872
82 HE1 TYR 12 HE1 TYR 12 -4.005 0.055 1.176
83 HE2 TYR 12 HE2 TYR 12 -4.817 1.974 4.897
84 HH TYR 12 HH TYR 12 -6.181 1.001 1.989
85 H PHE 13 H PHE 13 -1.637 -2.431 7.716
86 HA PHE 13 HA PHE 13 -4.344 -3.330 7.679
87 HB2 PHE 13 HB2 PHE 13 -2.978 -4.055 9.492
88 HB3 PHE 13 HB3 PHE 13 -2.472 -2.414 9.865
89 HD1 PHE 13 HD1 PHE 13 -5.913 -3.677 9.289
90 HD2 PHE 13 HD2 PHE 13 -3.088 -2.172 12.101
91 HE1 PHE 13 HE1 PHE 13 -7.680 -3.528 10.991
92 HE2 PHE 13 HE2 PHE 13 -4.859 -2.013 13.797
93 HZ PHE 13 HZ PHE 13 -7.160 -2.693 13.244
94 H ASP 14 H ASP 14 -5.529 -1.742 6.571
95 HA ASP 14 HA ASP 14 -5.542 1.004 7.399
96 HB2 ASP 14 HB2 ASP 14 -6.275 -0.079 5.122
97 HB3 ASP 14 HB3 ASP 14 -7.829 -0.240 5.931
98 H SER 15 H SER 15 -6.171 1.472 9.419
99 HA SER 15 HA SER 15 -7.899 0.021 11.009
100 HB2 SER 15 HB2 SER 15 -8.187 2.155 12.312
101 HB3 SER 15 HB3 SER 15 -6.507 1.719 11.997
102 HG SER 15 HG SER 15 -6.291 3.505 10.926
103 H LEU 16 H LEU 16 -8.607 2.073 8.356
104 HA LEU 16 HA LEU 16 -11.364 2.517 9.118
105 HB2 LEU 16 HB2 LEU 16 -9.618 3.803 7.428
106 HB3 LEU 16 HB3 LEU 16 -10.651 2.938 6.306
107 HG LEU 16 HG LEU 16 -11.467 5.206 6.683
108 HD11 LEU 16 HD11 LEU 16 -13.641 4.603 6.658
109 HD12 LEU 16 HD12 LEU 16 -13.505 3.642 8.130
110 HD13 LEU 16 HD13 LEU 16 -12.961 2.978 6.590
111 HD21 LEU 16 HD21 LEU 16 -11.782 6.159 8.704
112 HD22 LEU 16 HD22 LEU 16 -10.589 4.963 9.212
113 HD23 LEU 16 HD23 LEU 16 -12.308 4.651 9.454
114 H LEU 17 H LEU 17 -9.515 0.263 7.220
115 HA LEU 17 HA LEU 17 -11.945 -0.974 6.157
116 HB2 LEU 17 HB2 LEU 17 -9.045 -1.547 5.554
117 HB3 LEU 17 HB3 LEU 17 -10.430 -2.229 4.714
118 HG LEU 17 HG LEU 17 -10.105 0.739 4.795
119 HD11 LEU 17 HD11 LEU 17 -8.013 -0.791 3.936
120 HD12 LEU 17 HD12 LEU 17 -8.376 0.844 3.386
121 HD13 LEU 17 HD13 LEU 17 -8.930 -0.543 2.450
122 HD21 LEU 17 HD21 LEU 17 -11.063 0.358 2.442
123 HD22 LEU 17 HD22 LEU 17 -12.122 0.093 3.826
124 HD23 LEU 17 HD23 LEU 17 -11.395 -1.283 2.998
125 H HIS 18 H HIS 18 -9.467 -1.433 8.535
126 HA HIS 18 HA HIS 18 -9.167 -2.995 10.149
127 HB2 HIS 18 HB2 HIS 18 -11.969 -3.447 9.322
128 HB3 HIS 18 HB3 HIS 18 -11.197 -4.733 10.236
129 HD1 HIS 18 HD1 HIS 18 -13.023 -1.666 10.685
130 HD2 HIS 18 HD2 HIS 18 -10.072 -3.697 12.791
131 HE1 HIS 18 HE1 HIS 18 -13.096 -0.728 13.017
132 HE2 HIS 18 HE2 HIS 18 -11.243 -1.911 14.250
133 H ALA 19 H ALA 19 -7.788 -3.482 7.938
134 HA ALA 19 HA ALA 19 -7.270 -6.231 8.025
135 HB1 ALA 19 HB1 ALA 19 -8.060 -5.822 5.277
136 HB2 ALA 19 HB2 ALA 19 -9.427 -5.644 6.383
137 HB3 ALA 19 HB3 ALA 19 -8.478 -7.131 6.387
138 H CYS 20 H CYS 20 -5.293 -6.607 7.291
139 HA CYS 20 HA CYS 20 -3.700 -4.469 6.331
140 HB2 CYS 20 HB2 CYS 20 -3.069 -7.436 6.280
141 HB3 CYS 20 HB3 CYS 20 -1.913 -6.141 6.014
142 H ILE 21 H ILE 21 -4.204 -3.642 4.463
143 HA ILE 21 HA ILE 21 -4.808 -5.383 2.171
144 HB ILE 21 HB ILE 21 -5.480 -2.523 2.775
145 HG12 ILE 21 HG12 ILE 21 -7.300 -4.899 2.339
146 HG13 ILE 21 HG13 ILE 21 -6.768 -4.351 3.922
147 HG21 ILE 21 HG21 ILE 21 -6.511 -3.976 0.357
148 HG22 ILE 21 HG22 ILE 21 -5.004 -3.060 0.297
149 HG23 ILE 21 HG23 ILE 21 -6.514 -2.247 0.698
150 HD11 ILE 21 HD11 ILE 21 -7.911 -2.202 2.375
151 HD12 ILE 21 HD12 ILE 21 -8.328 -2.784 3.988
152 HD13 ILE 21 HD13 ILE 21 -9.031 -3.550 2.563
153 HA PRO 22 HA PRO 22 -1.078 -4.052 0.194
154 HB2 PRO 22 HB2 PRO 22 -1.706 -4.541 -2.394
155 HB3 PRO 22 HB3 PRO 22 -1.338 -5.830 -1.241
156 HG2 PRO 22 HG2 PRO 22 -4.003 -4.813 -2.159
157 HG3 PRO 22 HG3 PRO 22 -3.457 -6.490 -1.959
158 HD2 PRO 22 HD2 PRO 22 -4.980 -5.248 -0.095
159 HD3 PRO 22 HD3 PRO 22 -3.743 -6.442 0.346
160 H CYS 23 H CYS 23 -0.218 -2.275 -0.737
161 HA CYS 23 HA CYS 23 -2.060 -0.078 -1.315
162 HB2 CYS 23 HB2 CYS 23 0.859 0.408 -1.383
163 HB3 CYS 23 HB3 CYS 23 -0.423 1.347 -0.630
164 H GLN 24 H GLN 24 0.382 -2.071 -2.842
165 HA GLN 24 HA GLN 24 0.977 -0.681 -5.123
166 HB2 GLN 24 HB2 GLN 24 2.048 -2.784 -4.604
167 HB3 GLN 24 HB3 GLN 24 0.528 -3.643 -4.804
168 HG2 GLN 24 HG2 GLN 24 1.866 -4.023 -6.735
169 HG3 GLN 24 HG3 GLN 24 0.526 -2.973 -7.192
170 HE21 GLN 24 HE21 GLN 24 0.969 -0.681 -7.365
171 HE22 GLN 24 HE22 GLN 24 2.543 -0.156 -7.848
172 H LEU 25 H LEU 25 -1.706 -2.920 -4.726
173 HA LEU 25 HA LEU 25 -2.826 -2.447 -7.264
174 HB2 LEU 25 HB2 LEU 25 -3.531 -3.952 -4.858
175 HB3 LEU 25 HB3 LEU 25 -4.922 -3.354 -5.744
176 HG LEU 25 HG LEU 25 -4.316 -5.638 -6.408
177 HD11 LEU 25 HD11 LEU 25 -3.683 -3.796 -8.692
178 HD12 LEU 25 HD12 LEU 25 -5.300 -3.906 -7.997
179 HD13 LEU 25 HD13 LEU 25 -4.553 -5.330 -8.718
180 HD21 LEU 25 HD21 LEU 25 -2.247 -6.022 -7.679
181 HD22 LEU 25 HD22 LEU 25 -1.927 -5.549 -6.010
182 HD23 LEU 25 HD23 LEU 25 -1.731 -4.376 -7.312
183 H ARG 26 H ARG 26 -2.735 -0.450 -4.571
184 HA ARG 26 HA ARG 26 -5.144 0.951 -5.450
185 HB2 ARG 26 HB2 ARG 26 -3.919 1.240 -2.729
186 HB3 ARG 26 HB3 ARG 26 -5.526 1.733 -3.248
187 HG2 ARG 26 HG2 ARG 26 -5.265 -1.066 -3.678
188 HG3 ARG 26 HG3 ARG 26 -4.736 -0.694 -2.036
189 HD2 ARG 26 HD2 ARG 26 -7.045 -1.096 -1.877
190 HD3 ARG 26 HD3 ARG 26 -6.858 0.651 -1.798
191 HE ARG 26 HE ARG 26 -7.938 0.845 -3.829
192 HH11 ARG 26 HH11 ARG 26 -7.168 -2.508 -3.237
193 HH12 ARG 26 HH12 ARG 26 -8.131 -3.090 -4.552
194 HH21 ARG 26 HH21 ARG 26 -9.207 0.079 -5.557
195 HH22 ARG 26 HH22 ARG 26 -9.288 -1.623 -5.869
196 H CYS 27 H CYS 27 -1.902 1.102 -5.528
197 HA CYS 27 HA CYS 27 -1.275 3.765 -4.920
198 HB2 CYS 27 HB2 CYS 27 -0.021 1.841 -6.881
199 HB3 CYS 27 HB3 CYS 27 0.653 3.426 -6.518
200 H SER 28 H SER 28 -2.986 2.425 -7.599
201 HA SER 28 HA SER 28 -2.586 4.648 -9.290
202 HB2 SER 28 HB2 SER 28 -3.542 1.986 -9.604
203 HB3 SER 28 HB3 SER 28 -4.753 3.098 -10.241
204 HG SER 28 HG SER 28 -3.391 3.744 -11.759
205 H SER 29 H SER 29 -4.108 4.705 -6.584
206 HA SER 29 HA SER 29 -6.217 6.469 -7.523
207 HB2 SER 29 HB2 SER 29 -6.804 4.619 -5.241
208 HB3 SER 29 HB3 SER 29 -7.925 5.423 -6.342
209 HG SER 29 HG SER 29 -6.394 3.100 -6.740
210 H ASN 30 H ASN 30 -7.208 7.431 -5.360
211 HA ASN 30 HA ASN 30 -5.216 8.981 -4.228
212 HB2 ASN 30 HB2 ASN 30 -8.047 8.560 -3.268
213 HB3 ASN 30 HB3 ASN 30 -6.982 9.866 -2.758
214 HD21 ASN 30 HD21 ASN 30 -9.510 9.216 -4.649
215 HD22 ASN 30 HD22 ASN 30 -9.292 10.398 -5.889
216 H THR 31 H THR 31 -7.423 6.756 -2.612
217 HA THR 31 HA THR 31 -7.200 5.865 -0.453
218 HB THR 31 HB THR 31 -6.833 4.089 -2.081
219 HG1 THR 31 HG1 THR 31 -5.864 2.681 -0.688
220 HG21 THR 31 HG21 THR 31 -4.679 5.247 -2.988
221 HG22 THR 31 HG22 THR 31 -4.838 3.492 -3.015
222 HG23 THR 31 HG23 THR 31 -3.885 4.270 -1.754
223 HA PRO 32 HA PRO 32 -3.925 8.740 1.169
224 HB2 PRO 32 HB2 PRO 32 -5.468 7.626 3.499
225 HB3 PRO 32 HB3 PRO 32 -4.773 9.240 3.293
226 HG2 PRO 32 HG2 PRO 32 -7.352 8.875 2.855
227 HG3 PRO 32 HG3 PRO 32 -6.394 9.891 1.753
228 HD2 PRO 32 HD2 PRO 32 -7.475 7.121 1.304
229 HD3 PRO 32 HD3 PRO 32 -7.160 8.400 0.106
230 HA PRO 33 HA PRO 33 -1.559 4.981 2.190
231 HB2 PRO 33 HB2 PRO 33 0.344 5.264 0.324
232 HB3 PRO 33 HB3 PRO 33 -1.259 4.641 -0.078
233 HG2 PRO 33 HG2 PRO 33 -0.044 7.241 -0.723
234 HG3 PRO 33 HG3 PRO 33 -1.401 6.412 -1.500
235 HD2 PRO 33 HD2 PRO 33 -1.462 8.522 0.483
236 HD3 PRO 33 HD3 PRO 33 -2.819 7.788 -0.393
237 H LEU 34 H LEU 34 -1.224 6.418 4.136
238 HA LEU 34 HA LEU 34 1.068 8.098 4.157
239 HB2 LEU 34 HB2 LEU 34 -0.109 6.795 6.610
240 HB3 LEU 34 HB3 LEU 34 0.803 8.286 6.515
241 HG LEU 34 HG LEU 34 -2.005 7.826 5.517
242 HD11 LEU 34 HD11 LEU 34 -0.923 9.604 7.697
243 HD12 LEU 34 HD12 LEU 34 -1.782 8.083 7.943
244 HD13 LEU 34 HD13 LEU 34 -2.612 9.455 7.211
245 HD21 LEU 34 HD21 LEU 34 -2.039 10.026 4.694
246 HD22 LEU 34 HD22 LEU 34 -0.536 9.336 4.085
247 HD23 LEU 34 HD23 LEU 34 -0.507 10.429 5.467
248 H THR 35 H THR 35 0.576 4.724 5.249
249 HA THR 35 HA THR 35 3.422 4.472 5.709
250 HB THR 35 HB THR 35 1.835 3.398 7.262
251 HG1 THR 35 HG1 THR 35 3.405 2.052 7.489
252 HG21 THR 35 HG21 THR 35 1.193 1.252 5.341
253 HG22 THR 35 HG22 THR 35 0.280 2.755 5.204
254 HG23 THR 35 HG23 THR 35 0.279 1.856 6.722
255 H CYS 36 H CYS 36 1.569 4.546 3.024
256 HA CYS 36 HA CYS 36 3.186 2.488 1.682
257 HB2 CYS 36 HB2 CYS 36 0.426 3.438 0.919
258 HB3 CYS 36 HB3 CYS 36 1.370 2.237 0.051
259 H GLN 37 H GLN 37 2.601 5.797 1.917
260 HA GLN 37 HA GLN 37 2.805 6.763 -0.649
261 HB2 GLN 37 HB2 GLN 37 2.753 7.910 1.796
262 HB3 GLN 37 HB3 GLN 37 4.444 8.150 1.394
263 HG2 GLN 37 HG2 GLN 37 2.888 10.035 0.828
264 HG3 GLN 37 HG3 GLN 37 3.923 9.466 -0.481
265 HE21 GLN 37 HE21 GLN 37 0.700 9.806 0.681
266 HE22 GLN 37 HE22 GLN 37 -0.104 9.272 -0.752
267 H ARG 38 H ARG 38 5.267 5.386 1.371
268 HA ARG 38 HA ARG 38 7.451 6.204 -0.281
269 HB2 ARG 38 HB2 ARG 38 8.775 5.394 1.354
270 HB3 ARG 38 HB3 ARG 38 7.288 5.336 2.279
271 HG2 ARG 38 HG2 ARG 38 7.669 3.187 2.638
272 HG3 ARG 38 HG3 ARG 38 7.420 2.882 0.922
273 HD2 ARG 38 HD2 ARG 38 9.516 1.976 1.353
274 HD3 ARG 38 HD3 ARG 38 9.870 3.545 0.637
275 HE ARG 38 HE ARG 38 10.790 4.218 2.633
276 HH11 ARG 38 HH11 ARG 38 8.925 1.316 3.164
277 HH12 ARG 38 HH12 ARG 38 9.459 1.122 4.799
278 HH21 ARG 38 HH21 ARG 38 11.493 3.965 4.785
279 HH22 ARG 38 HH22 ARG 38 10.917 2.626 5.720
280 H TYR 39 H TYR 39 5.387 3.377 -0.109
281 HA TYR 39 HA TYR 39 6.970 1.896 -1.981
282 HB2 TYR 39 HB2 TYR 39 5.415 0.998 -0.057
283 HB3 TYR 39 HB3 TYR 39 4.164 1.126 -1.289
284 HD1 TYR 39 HD1 TYR 39 7.618 -0.248 -0.880
285 HD2 TYR 39 HD2 TYR 39 3.763 -0.728 -2.611
286 HE1 TYR 39 HE1 TYR 39 8.322 -2.402 -1.835
287 HE2 TYR 39 HE2 TYR 39 4.455 -2.883 -3.569
288 HH TYR 39 HH TYR 39 6.092 -4.601 -3.251
289 H CYS 40 H CYS 40 3.893 3.639 -2.057
290 HA CYS 40 HA CYS 40 3.315 2.969 -4.750
291 HB2 CYS 40 HB2 CYS 40 2.357 5.195 -2.954
292 HB3 CYS 40 HB3 CYS 40 1.841 5.079 -4.634
293 H ASN 41 H ASN 41 5.026 5.691 -3.265
294 HA ASN 41 HA ASN 41 5.489 6.971 -5.749
295 HB2 ASN 41 HB2 ASN 41 6.371 8.662 -4.538
296 HB3 ASN 41 HB3 ASN 41 5.720 7.793 -3.159
297 HD21 ASN 41 HD21 ASN 41 7.419 5.764 -2.786
298 HD22 ASN 41 HD22 ASN 41 9.009 6.343 -2.443
299 H ALA 42 H ALA 42 6.759 4.249 -4.274
300 HA ALA 42 HA ALA 42 9.182 4.367 -5.925
301 HB1 ALA 42 HB1 ALA 42 9.421 4.002 -3.432
302 HB2 ALA 42 HB2 ALA 42 10.216 2.815 -4.468
303 HB3 ALA 42 HB3 ALA 42 8.684 2.420 -3.690
304 H SER 43 H SER 43 6.412 3.700 -6.706
305 HA SER 43 HA SER 43 6.940 1.055 -7.848
306 HB2 SER 43 HB2 SER 43 4.497 2.134 -6.544
307 HB3 SER 43 HB3 SER 43 4.261 1.113 -7.963
308 HG SER 43 HG SER 43 5.648 0.450 -5.579
309 H VAL 44 H VAL 44 5.409 4.200 -8.283
310 HA VAL 44 HA VAL 44 4.974 5.452 -10.136
311 HB VAL 44 HB VAL 44 6.792 3.550 -11.618
312 HG11 VAL 44 HG11 VAL 44 6.617 6.435 -12.260
313 HG12 VAL 44 HG12 VAL 44 5.241 5.427 -12.708
314 HG13 VAL 44 HG13 VAL 44 6.851 5.048 -13.322
315 HG21 VAL 44 HG21 VAL 44 7.696 6.139 -10.422
316 HG22 VAL 44 HG22 VAL 44 8.653 4.745 -10.923
317 HG23 VAL 44 HG23 VAL 44 7.681 4.666 -9.453
318 H THR 45 H THR 45 2.928 3.982 -9.640
319 HA THR 45 HA THR 45 1.926 1.990 -10.935
320 HB THR 45 HB THR 45 -0.019 4.083 -11.239
321 HG1 THR 45 HG1 THR 45 1.196 3.980 -8.687
322 HG21 THR 45 HG21 THR 45 -0.857 2.845 -9.069
323 HG22 THR 45 HG22 THR 45 0.311 1.636 -9.603
324 HG23 THR 45 HG23 THR 45 -1.005 2.122 -10.671
325 H ASN 46 H ASN 46 2.096 5.205 -12.423
326 HA ASN 46 HA ASN 46 2.698 4.274 -14.991
327 HB2 ASN 46 HB2 ASN 46 0.162 3.597 -14.546
328 HB3 ASN 46 HB3 ASN 46 -0.112 5.264 -15.043
329 HD21 ASN 46 HD21 ASN 46 0.824 5.916 -17.116
330 HD22 ASN 46 HD22 ASN 46 0.895 4.754 -18.392
331 H SER 47 H SER 47 4.050 6.007 -15.266
332 HA SER 47 HA SER 47 4.686 8.124 -15.806
333 HB2 SER 47 HB2 SER 47 2.272 7.975 -16.951
334 HB3 SER 47 HB3 SER 47 1.911 9.207 -15.742
335 HG SER 47 HG SER 47 4.141 9.363 -17.480
336 H VAL 48 H VAL 48 5.433 9.781 -14.610
337 HA VAL 48 HA VAL 48 4.317 11.393 -12.790
338 HB VAL 48 HB VAL 48 5.229 10.252 -10.612
339 HG11 VAL 48 HG11 VAL 48 2.701 9.079 -10.768
340 HG12 VAL 48 HG12 VAL 48 2.637 10.486 -11.830
341 HG13 VAL 48 HG13 VAL 48 3.107 10.677 -10.141
342 HG21 VAL 48 HG21 VAL 48 4.041 7.753 -11.547
343 HG22 VAL 48 HG22 VAL 48 5.480 8.027 -10.565
344 HG23 VAL 48 HG23 VAL 48 5.578 8.140 -12.322
345 H LYS 49 H LYS 49 5.855 12.779 -13.262
346 HA LYS 49 HA LYS 49 8.181 12.993 -11.924
347 HB2 LYS 49 HB2 LYS 49 9.879 12.529 -13.746
348 HB3 LYS 49 HB3 LYS 49 9.150 11.114 -13.002
349 HG2 LYS 49 HG2 LYS 49 7.455 11.535 -15.074
350 HG3 LYS 49 HG3 LYS 49 8.981 12.098 -15.758
351 HD2 LYS 49 HD2 LYS 49 10.025 9.957 -15.102
352 HD3 LYS 49 HD3 LYS 49 8.458 9.399 -14.513
353 HE2 LYS 49 HE2 LYS 49 7.575 9.851 -16.843
354 HE3 LYS 49 HE3 LYS 49 9.256 10.045 -17.340
355 HZ1 LYS 49 HZ1 LYS 49 9.077 7.850 -17.724
356 HZ2 LYS 49 HZ2 LYS 49 7.796 7.635 -16.641
357 HZ3 LYS 49 HZ3 LYS 49 9.385 7.717 -16.066
358 H CY1 50 H CY1 50 6.886 13.495 -15.178
359 HA CY1 50 HA CY1 50 7.268 16.371 -14.832
360 HB2 CY1 50 HB2 CY1 50 8.919 14.743 -16.526
361 HB3 CY1 50 HB3 CY1 50 7.960 15.828 -17.529
362 HD2 CY1 50 HD2 CY1 50 9.403 17.278 -16.880
363 HD3 CY1 50 HD3 CY1 50 9.801 17.654 -16.685
364 HE CY1 50 HE CY1 50 10.393 16.632 -19.181
365 HM1 CY1 50 HM1 CY1 50 13.093 17.757 -20.452
366 HM2 CY1 50 HM2 CY1 50 12.274 16.223 -20.011
367 HM3 CY1 50 HM3 CY1 50 13.668 16.787 -19.109
368 HN1 NH2 51 HN1 NH2 51 6.465 14.375 -17.667
369 HN2 NH2 51 HN2 NH2 51 4.866 14.998 -17.861
Start of MODEL 17
1 H1 LEU 1 H1 LEU 1 -9.486 -6.610 18.330
2 H2 LEU 1 H2 LEU 1 -9.391 -4.945 17.926
3 H3 LEU 1 H3 LEU 1 -7.998 -5.940 17.808
4 HA LEU 1 HA LEU 1 -9.285 -7.285 16.169
5 HB2 LEU 1 HB2 LEU 1 -11.210 -5.330 16.960
6 HB3 LEU 1 HB3 LEU 1 -10.864 -5.100 15.257
7 HG LEU 1 HG LEU 1 -11.654 -7.759 16.441
8 HD11 LEU 1 HD11 LEU 1 -13.416 -5.798 14.983
9 HD12 LEU 1 HD12 LEU 1 -13.422 -6.038 16.730
10 HD13 LEU 1 HD13 LEU 1 -13.883 -7.360 15.658
11 HD21 LEU 1 HD21 LEU 1 -11.807 -8.541 14.270
12 HD22 LEU 1 HD22 LEU 1 -10.383 -7.503 14.191
13 HD23 LEU 1 HD23 LEU 1 -11.933 -6.922 13.585
14 H GLN 2 H GLN 2 -7.949 -4.160 16.729
15 HA GLN 2 HA GLN 2 -7.315 -3.652 13.957
16 HB2 GLN 2 HB2 GLN 2 -6.361 -2.261 16.464
17 HB3 GLN 2 HB3 GLN 2 -6.085 -1.707 14.819
18 HG2 GLN 2 HG2 GLN 2 -7.871 -0.424 15.620
19 HG3 GLN 2 HG3 GLN 2 -8.599 -1.633 14.564
20 HE21 GLN 2 HE21 GLN 2 -8.002 -0.754 17.908
21 HE22 GLN 2 HE22 GLN 2 -9.310 -1.662 18.578
22 H MET 3 H MET 3 -5.795 -4.686 12.952
23 HA MET 3 HA MET 3 -3.422 -4.973 12.602
24 HB2 MET 3 HB2 MET 3 -3.454 -5.624 15.533
25 HB3 MET 3 HB3 MET 3 -2.237 -6.313 14.481
26 HG2 MET 3 HG2 MET 3 -1.756 -4.114 15.807
27 HG3 MET 3 HG3 MET 3 -1.156 -4.326 14.163
28 HE1 MET 3 HE1 MET 3 -1.453 -0.841 14.596
29 HE2 MET 3 HE2 MET 3 -1.643 -1.229 12.886
30 HE3 MET 3 HE3 MET 3 -0.600 -2.222 13.905
31 H ALA 4 H ALA 4 -3.510 -6.489 11.213
32 HA ALA 4 HA ALA 4 -4.937 -8.964 11.701
33 HB1 ALA 4 HB1 ALA 4 -4.871 -7.564 9.509
34 HB2 ALA 4 HB2 ALA 4 -4.874 -9.326 9.420
35 HB3 ALA 4 HB3 ALA 4 -3.366 -8.434 9.212
36 H GLY 5 H GLY 5 -3.310 -9.428 13.483
37 HA2 GLY 5 HA2 GLY 5 -1.518 -10.708 14.273
38 HA3 GLY 5 HA3 GLY 5 -1.661 -11.578 12.746
39 H GLN 6 H GLN 6 -0.955 -8.159 12.863
40 HA GLN 6 HA GLN 6 0.971 -6.971 12.573
41 HB2 GLN 6 HB2 GLN 6 2.034 -9.312 13.563
42 HB3 GLN 6 HB3 GLN 6 2.800 -9.190 11.985
43 HG2 GLN 6 HG2 GLN 6 4.077 -7.454 12.597
44 HG3 GLN 6 HG3 GLN 6 2.787 -6.704 13.536
45 HE21 GLN 6 HE21 GLN 6 5.445 -6.810 14.373
46 HE22 GLN 6 HE22 GLN 6 5.542 -7.807 15.780
47 H CYS 7 H CYS 7 -0.373 -6.587 10.731
48 HA CYS 7 HA CYS 7 -0.755 -7.464 8.344
49 HB2 CYS 7 HB2 CYS 7 0.766 -4.870 8.610
50 HB3 CYS 7 HB3 CYS 7 -0.330 -5.313 7.308
51 H SER 8 H SER 8 0.182 -8.396 6.641
52 HA SER 8 HA SER 8 2.845 -9.254 6.683
53 HB2 SER 8 HB2 SER 8 1.048 -8.897 4.269
54 HB3 SER 8 HB3 SER 8 2.505 -9.887 4.334
55 HG SER 8 HG SER 8 0.214 -10.273 5.964
56 H GLN 9 H GLN 9 4.617 -8.608 5.311
57 HA GLN 9 HA GLN 9 5.262 -5.965 5.516
58 HB2 GLN 9 HB2 GLN 9 6.380 -8.282 4.174
59 HB3 GLN 9 HB3 GLN 9 6.687 -6.808 3.266
60 HG2 GLN 9 HG2 GLN 9 8.442 -6.529 4.595
61 HG3 GLN 9 HG3 GLN 9 7.284 -6.075 5.844
62 HE21 GLN 9 HE21 GLN 9 6.606 -7.680 7.345
63 HE22 GLN 9 HE22 GLN 9 7.613 -9.040 7.690
64 H ASN 10 H ASN 10 4.904 -4.174 4.498
65 HA ASN 10 HA ASN 10 4.147 -2.659 3.025
66 HB2 ASN 10 HB2 ASN 10 4.962 -4.880 1.336
67 HB3 ASN 10 HB3 ASN 10 3.650 -3.951 0.616
68 HD21 ASN 10 HD21 ASN 10 4.051 -1.457 1.093
69 HD22 ASN 10 HD22 ASN 10 5.606 -0.905 0.585
70 H GLU 11 H GLU 11 2.338 -4.301 4.631
71 HA GLU 11 HA GLU 11 -0.054 -4.055 2.939
72 HB2 GLU 11 HB2 GLU 11 0.731 -6.174 4.604
73 HB3 GLU 11 HB3 GLU 11 -0.639 -5.409 5.392
74 HG2 GLU 11 HG2 GLU 11 -2.068 -5.868 3.627
75 HG3 GLU 11 HG3 GLU 11 -0.744 -6.102 2.487
76 H TYR 12 H TYR 12 -1.831 -2.855 3.542
77 HA TYR 12 HA TYR 12 -1.303 -1.232 5.976
78 HB2 TYR 12 HB2 TYR 12 -2.047 0.722 4.985
79 HB3 TYR 12 HB3 TYR 12 -1.085 -0.040 3.728
80 HD1 TYR 12 HD1 TYR 12 -2.214 -1.058 1.766
81 HD2 TYR 12 HD2 TYR 12 -4.375 1.128 4.702
82 HE1 TYR 12 HE1 TYR 12 -4.096 -0.829 0.201
83 HE2 TYR 12 HE2 TYR 12 -6.256 1.373 3.143
84 HH TYR 12 HH TYR 12 -7.168 0.266 1.170
85 H PHE 13 H PHE 13 -2.629 -1.451 7.519
86 HA PHE 13 HA PHE 13 -5.116 -2.881 7.262
87 HB2 PHE 13 HB2 PHE 13 -3.586 -3.139 9.202
88 HB3 PHE 13 HB3 PHE 13 -3.933 -1.481 9.668
89 HD1 PHE 13 HD1 PHE 13 -5.617 -4.731 9.003
90 HD2 PHE 13 HD2 PHE 13 -5.666 -1.044 11.125
91 HE1 PHE 13 HE1 PHE 13 -7.551 -5.512 10.307
92 HE2 PHE 13 HE2 PHE 13 -7.601 -1.818 12.434
93 HZ PHE 13 HZ PHE 13 -8.544 -4.056 12.025
94 H ASP 14 H ASP 14 -6.690 -1.747 6.239
95 HA ASP 14 HA ASP 14 -7.123 1.054 6.675
96 HB2 ASP 14 HB2 ASP 14 -9.178 -0.873 5.624
97 HB3 ASP 14 HB3 ASP 14 -9.018 0.839 5.267
98 H SER 15 H SER 15 -7.550 1.608 8.756
99 HA SER 15 HA SER 15 -8.886 0.074 10.622
100 HB2 SER 15 HB2 SER 15 -7.736 1.910 11.528
101 HB3 SER 15 HB3 SER 15 -8.502 3.063 10.435
102 HG SER 15 HG SER 15 -9.236 2.764 12.793
103 H LEU 16 H LEU 16 -10.229 1.506 7.866
104 HA LEU 16 HA LEU 16 -12.900 1.657 9.022
105 HB2 LEU 16 HB2 LEU 16 -11.620 2.587 6.505
106 HB3 LEU 16 HB3 LEU 16 -13.330 2.203 6.442
107 HG LEU 16 HG LEU 16 -12.976 4.586 6.829
108 HD11 LEU 16 HD11 LEU 16 -14.925 3.377 7.827
109 HD12 LEU 16 HD12 LEU 16 -14.472 4.863 8.661
110 HD13 LEU 16 HD13 LEU 16 -14.025 3.300 9.340
111 HD21 LEU 16 HD21 LEU 16 -11.461 3.635 9.251
112 HD22 LEU 16 HD22 LEU 16 -12.046 5.286 9.056
113 HD23 LEU 16 HD23 LEU 16 -10.867 4.630 7.922
114 H LEU 17 H LEU 17 -10.880 -0.392 7.113
115 HA LEU 17 HA LEU 17 -13.142 -2.100 6.366
116 HB2 LEU 17 HB2 LEU 17 -10.269 -2.196 5.455
117 HB3 LEU 17 HB3 LEU 17 -11.598 -3.144 4.805
118 HG LEU 17 HG LEU 17 -11.443 -0.134 4.657
119 HD11 LEU 17 HD11 LEU 17 -11.030 -1.962 2.330
120 HD12 LEU 17 HD12 LEU 17 -9.680 -1.541 3.383
121 HD13 LEU 17 HD13 LEU 17 -10.558 -0.273 2.528
122 HD21 LEU 17 HD21 LEU 17 -13.647 -1.673 4.467
123 HD22 LEU 17 HD22 LEU 17 -13.095 -1.705 2.793
124 HD23 LEU 17 HD23 LEU 17 -13.424 -0.164 3.583
125 H HIS 18 H HIS 18 -10.367 -1.921 8.446
126 HA HIS 18 HA HIS 18 -9.543 -3.324 10.026
127 HB2 HIS 18 HB2 HIS 18 -12.229 -4.586 9.574
128 HB3 HIS 18 HB3 HIS 18 -11.069 -5.264 10.705
129 HD1 HIS 18 HD1 HIS 18 -10.051 -2.769 12.101
130 HD2 HIS 18 HD2 HIS 18 -14.056 -3.401 11.194
131 HE1 HIS 18 HE1 HIS 18 -11.340 -1.319 13.701
132 HE2 HIS 18 HE2 HIS 18 -13.762 -1.795 13.200
133 H ALA 19 H ALA 19 -8.414 -3.648 7.703
134 HA ALA 19 HA ALA 19 -7.596 -6.383 7.669
135 HB1 ALA 19 HB1 ALA 19 -9.740 -5.717 5.992
136 HB2 ALA 19 HB2 ALA 19 -8.778 -7.196 5.978
137 HB3 ALA 19 HB3 ALA 19 -8.315 -5.831 4.952
138 H CYS 20 H CYS 20 -5.494 -6.303 7.327
139 HA CYS 20 HA CYS 20 -4.236 -3.996 6.246
140 HB2 CYS 20 HB2 CYS 20 -2.903 -6.693 6.517
141 HB3 CYS 20 HB3 CYS 20 -2.156 -5.103 6.588
142 H ILE 21 H ILE 21 -4.497 -3.509 4.214
143 HA ILE 21 HA ILE 21 -4.606 -5.602 2.166
144 HB ILE 21 HB ILE 21 -5.403 -2.700 2.119
145 HG12 ILE 21 HG12 ILE 21 -7.385 -4.873 1.723
146 HG13 ILE 21 HG13 ILE 21 -6.725 -4.701 3.346
147 HG21 ILE 21 HG21 ILE 21 -6.210 -2.946 -0.070
148 HG22 ILE 21 HG22 ILE 21 -6.084 -4.701 -0.016
149 HG23 ILE 21 HG23 ILE 21 -4.625 -3.714 -0.098
150 HD11 ILE 21 HD11 ILE 21 -8.768 -3.199 2.086
151 HD12 ILE 21 HD12 ILE 21 -7.415 -2.122 2.436
152 HD13 ILE 21 HD13 ILE 21 -8.148 -3.067 3.732
153 HA PRO 22 HA PRO 22 -0.628 -4.379 0.685
154 HB2 PRO 22 HB2 PRO 22 -0.835 -5.144 -1.925
155 HB3 PRO 22 HB3 PRO 22 -0.552 -6.280 -0.601
156 HG2 PRO 22 HG2 PRO 22 -3.112 -5.585 -1.989
157 HG3 PRO 22 HG3 PRO 22 -2.502 -7.179 -1.502
158 HD2 PRO 22 HD2 PRO 22 -4.361 -5.863 -0.045
159 HD3 PRO 22 HD3 PRO 22 -3.122 -6.876 0.720
160 H CYS 23 H CYS 23 0.073 -2.428 0.160
161 HA CYS 23 HA CYS 23 -1.634 -0.404 -0.812
162 HB2 CYS 23 HB2 CYS 23 1.364 -0.186 -0.969
163 HB3 CYS 23 HB3 CYS 23 0.178 1.072 -0.645
164 H GLN 24 H GLN 24 0.496 -2.615 -2.452
165 HA GLN 24 HA GLN 24 1.013 -1.342 -4.820
166 HB2 GLN 24 HB2 GLN 24 1.939 -3.510 -4.361
167 HB3 GLN 24 HB3 GLN 24 0.338 -4.237 -4.342
168 HG2 GLN 24 HG2 GLN 24 0.116 -4.123 -6.644
169 HG3 GLN 24 HG3 GLN 24 1.360 -2.883 -6.802
170 HE21 GLN 24 HE21 GLN 24 3.564 -3.660 -5.935
171 HE22 GLN 24 HE22 GLN 24 4.060 -5.224 -6.474
172 H LEU 25 H LEU 25 -1.845 -3.256 -4.088
173 HA LEU 25 HA LEU 25 -3.134 -2.830 -6.547
174 HB2 LEU 25 HB2 LEU 25 -4.171 -3.670 -3.855
175 HB3 LEU 25 HB3 LEU 25 -5.191 -3.578 -5.278
176 HG LEU 25 HG LEU 25 -2.699 -5.247 -5.306
177 HD11 LEU 25 HD11 LEU 25 -5.215 -6.638 -4.722
178 HD12 LEU 25 HD12 LEU 25 -4.578 -5.665 -3.397
179 HD13 LEU 25 HD13 LEU 25 -3.585 -6.931 -4.119
180 HD21 LEU 25 HD21 LEU 25 -3.642 -4.980 -7.445
181 HD22 LEU 25 HD22 LEU 25 -5.285 -5.186 -6.836
182 HD23 LEU 25 HD23 LEU 25 -4.185 -6.564 -6.889
183 H ARG 26 H ARG 26 -2.631 -0.654 -4.019
184 HA ARG 26 HA ARG 26 -4.829 1.012 -5.017
185 HB2 ARG 26 HB2 ARG 26 -5.088 0.018 -2.633
186 HB3 ARG 26 HB3 ARG 26 -3.902 1.237 -2.186
187 HG2 ARG 26 HG2 ARG 26 -6.129 2.039 -1.745
188 HG3 ARG 26 HG3 ARG 26 -5.392 2.985 -3.039
189 HD2 ARG 26 HD2 ARG 26 -7.712 2.464 -3.545
190 HD3 ARG 26 HD3 ARG 26 -6.625 1.700 -4.697
191 HE ARG 26 HE ARG 26 -6.961 -0.284 -2.959
192 HH11 ARG 26 HH11 ARG 26 -9.323 1.860 -4.382
193 HH12 ARG 26 HH12 ARG 26 -10.607 0.702 -4.294
194 HH21 ARG 26 HH21 ARG 26 -8.649 -1.804 -2.848
195 HH22 ARG 26 HH22 ARG 26 -10.225 -1.376 -3.424
196 H CYS 27 H CYS 27 -1.642 0.769 -4.891
197 HA CYS 27 HA CYS 27 0.153 2.217 -4.626
198 HB2 CYS 27 HB2 CYS 27 -0.826 2.099 -7.051
199 HB3 CYS 27 HB3 CYS 27 -1.200 3.794 -6.772
200 H SER 28 H SER 28 -2.077 4.779 -5.651
201 HA SER 28 HA SER 28 -2.012 6.003 -3.114
202 HB2 SER 28 HB2 SER 28 0.070 6.835 -3.800
203 HB3 SER 28 HB3 SER 28 -0.489 7.050 -5.458
204 HG SER 28 HG SER 28 -0.350 8.909 -3.716
205 H SER 29 H SER 29 -4.290 5.283 -3.930
206 HA SER 29 HA SER 29 -5.651 7.719 -4.638
207 HB2 SER 29 HB2 SER 29 -5.983 5.279 -6.392
208 HB3 SER 29 HB3 SER 29 -6.914 6.774 -6.498
209 HG SER 29 HG SER 29 -4.549 6.202 -7.601
210 H ASN 30 H ASN 30 -7.658 7.812 -3.853
211 HA ASN 30 HA ASN 30 -9.365 7.364 -2.405
212 HB2 ASN 30 HB2 ASN 30 -9.203 5.012 -4.220
213 HB3 ASN 30 HB3 ASN 30 -10.231 4.860 -2.798
214 HD21 ASN 30 HD21 ASN 30 -11.606 6.937 -2.452
215 HD22 ASN 30 HD22 ASN 30 -12.445 7.489 -3.859
216 H THR 31 H THR 31 -6.564 6.676 -1.582
217 HA THR 31 HA THR 31 -7.166 5.538 0.908
218 HB THR 31 HB THR 31 -5.605 3.837 -1.009
219 HG1 THR 31 HG1 THR 31 -8.096 3.441 0.273
220 HG21 THR 31 HG21 THR 31 -4.853 2.542 0.640
221 HG22 THR 31 HG22 THR 31 -6.353 2.676 1.557
222 HG23 THR 31 HG23 THR 31 -5.139 3.949 1.665
223 HA PRO 32 HA PRO 32 -3.532 8.516 0.663
224 HB2 PRO 32 HB2 PRO 32 -3.771 8.814 3.479
225 HB3 PRO 32 HB3 PRO 32 -4.250 9.970 2.236
226 HG2 PRO 32 HG2 PRO 32 -5.883 7.980 3.715
227 HG3 PRO 32 HG3 PRO 32 -6.348 9.575 3.082
228 HD2 PRO 32 HD2 PRO 32 -7.169 7.333 1.833
229 HD3 PRO 32 HD3 PRO 32 -6.652 8.741 0.876
230 HA PRO 33 HA PRO 33 -1.160 4.939 2.196
231 HB2 PRO 33 HB2 PRO 33 0.649 5.195 0.050
232 HB3 PRO 33 HB3 PRO 33 -0.679 4.045 0.186
233 HG2 PRO 33 HG2 PRO 33 -0.487 6.149 -1.653
234 HG3 PRO 33 HG3 PRO 33 -1.935 5.197 -1.294
235 HD2 PRO 33 HD2 PRO 33 -1.156 7.902 -0.330
236 HD3 PRO 33 HD3 PRO 33 -2.771 7.233 -0.649
237 H LEU 34 H LEU 34 -0.720 6.692 3.834
238 HA LEU 34 HA LEU 34 1.565 8.296 3.491
239 HB2 LEU 34 HB2 LEU 34 1.638 8.361 6.051
240 HB3 LEU 34 HB3 LEU 34 0.252 9.051 5.244
241 HG LEU 34 HG LEU 34 -1.064 7.023 5.817
242 HD11 LEU 34 HD11 LEU 34 0.131 5.169 6.241
243 HD12 LEU 34 HD12 LEU 34 0.298 5.834 7.864
244 HD13 LEU 34 HD13 LEU 34 1.573 6.089 6.675
245 HD21 LEU 34 HD21 LEU 34 -1.595 7.802 7.878
246 HD22 LEU 34 HD22 LEU 34 -0.608 9.152 7.316
247 HD23 LEU 34 HD23 LEU 34 0.089 7.936 8.387
248 H THR 35 H THR 35 1.221 4.996 4.695
249 HA THR 35 HA THR 35 4.087 4.854 5.123
250 HB THR 35 HB THR 35 2.615 3.817 6.790
251 HG1 THR 35 HG1 THR 35 3.690 1.861 6.870
252 HG21 THR 35 HG21 THR 35 1.719 2.063 4.520
253 HG22 THR 35 HG22 THR 35 0.724 3.137 5.505
254 HG23 THR 35 HG23 THR 35 1.455 1.702 6.226
255 H CYS 36 H CYS 36 2.114 4.690 2.488
256 HA CYS 36 HA CYS 36 3.832 2.660 1.223
257 HB2 CYS 36 HB2 CYS 36 1.093 3.267 0.187
258 HB3 CYS 36 HB3 CYS 36 2.078 1.837 -0.066
259 H GLN 37 H GLN 37 2.883 5.917 1.182
260 HA GLN 37 HA GLN 37 2.877 6.685 -1.435
261 HB2 GLN 37 HB2 GLN 37 3.367 7.944 1.082
262 HB3 GLN 37 HB3 GLN 37 4.552 8.540 -0.071
263 HG2 GLN 37 HG2 GLN 37 2.436 8.817 -1.602
264 HG3 GLN 37 HG3 GLN 37 1.597 8.845 -0.052
265 HE21 GLN 37 HE21 GLN 37 1.605 10.664 1.112
266 HE22 GLN 37 HE22 GLN 37 2.498 12.089 0.718
267 H ARG 38 H ARG 38 5.562 5.491 0.398
268 HA ARG 38 HA ARG 38 7.559 6.303 -1.501
269 HB2 ARG 38 HB2 ARG 38 8.607 6.094 0.507
270 HB3 ARG 38 HB3 ARG 38 7.473 4.889 1.091
271 HG2 ARG 38 HG2 ARG 38 8.769 3.174 0.460
272 HG3 ARG 38 HG3 ARG 38 9.286 3.967 -1.028
273 HD2 ARG 38 HD2 ARG 38 10.315 5.332 1.295
274 HD3 ARG 38 HD3 ARG 38 10.764 3.633 1.313
275 HE ARG 38 HE ARG 38 11.459 5.580 -0.783
276 HH11 ARG 38 HH11 ARG 38 11.888 2.422 0.664
277 HH12 ARG 38 HH12 ARG 38 13.291 2.052 -0.278
278 HH21 ARG 38 HH21 ARG 38 13.298 5.080 -2.017
279 HH22 ARG 38 HH22 ARG 38 14.089 3.556 -1.798
280 H TYR 39 H TYR 39 5.803 3.346 -0.692
281 HA TYR 39 HA TYR 39 7.150 1.708 -2.562
282 HB2 TYR 39 HB2 TYR 39 5.629 1.068 -0.497
283 HB3 TYR 39 HB3 TYR 39 4.349 1.091 -1.706
284 HD1 TYR 39 HD1 TYR 39 7.568 -0.492 -0.794
285 HD2 TYR 39 HD2 TYR 39 4.092 -0.694 -3.240
286 HE1 TYR 39 HE1 TYR 39 8.194 -2.767 -1.485
287 HE2 TYR 39 HE2 TYR 39 4.708 -2.972 -3.935
288 HH TYR 39 HH TYR 39 6.574 -4.423 -4.053
289 H CYS 40 H CYS 40 4.128 3.534 -2.661
290 HA CYS 40 HA CYS 40 3.259 2.649 -5.185
291 HB2 CYS 40 HB2 CYS 40 1.766 3.932 -3.752
292 HB3 CYS 40 HB3 CYS 40 2.832 5.329 -3.837
293 H ASN 41 H ASN 41 5.391 5.317 -4.260
294 HA ASN 41 HA ASN 41 5.798 6.232 -6.895
295 HB2 ASN 41 HB2 ASN 41 6.780 7.938 -5.825
296 HB3 ASN 41 HB3 ASN 41 6.525 7.079 -4.312
297 HD21 ASN 41 HD21 ASN 41 8.252 5.203 -4.095
298 HD22 ASN 41 HD22 ASN 41 9.882 5.736 -4.304
299 H ALA 42 H ALA 42 6.921 3.571 -5.193
300 HA ALA 42 HA ALA 42 9.044 3.107 -7.176
301 HB1 ALA 42 HB1 ALA 42 10.365 2.066 -5.610
302 HB2 ALA 42 HB2 ALA 42 8.992 1.603 -4.604
303 HB3 ALA 42 HB3 ALA 42 9.563 3.272 -4.602
304 H SER 43 H SER 43 6.205 2.585 -7.414
305 HA SER 43 HA SER 43 6.373 -0.225 -8.125
306 HB2 SER 43 HB2 SER 43 4.346 0.942 -6.234
307 HB3 SER 43 HB3 SER 43 3.979 -0.494 -7.188
308 HG SER 43 HG SER 43 4.853 -1.352 -5.425
309 H VAL 44 H VAL 44 5.120 2.943 -8.638
310 HA VAL 44 HA VAL 44 4.162 2.157 -11.240
311 HB VAL 44 HB VAL 44 2.275 3.627 -9.400
312 HG11 VAL 44 HG11 VAL 44 0.719 3.564 -11.121
313 HG12 VAL 44 HG12 VAL 44 1.561 2.267 -11.970
314 HG13 VAL 44 HG13 VAL 44 2.230 3.900 -11.966
315 HG21 VAL 44 HG21 VAL 44 0.936 1.551 -9.378
316 HG22 VAL 44 HG22 VAL 44 2.494 1.368 -8.573
317 HG23 VAL 44 HG23 VAL 44 2.257 0.718 -10.195
318 H THR 45 H THR 45 6.270 3.521 -11.208
319 HA THR 45 HA THR 45 7.378 5.483 -11.565
320 HB THR 45 HB THR 45 6.166 5.261 -13.666
321 HG1 THR 45 HG1 THR 45 7.333 7.062 -13.731
322 HG21 THR 45 HG21 THR 45 3.982 6.719 -12.240
323 HG22 THR 45 HG22 THR 45 3.890 5.229 -13.180
324 HG23 THR 45 HG23 THR 45 4.148 6.772 -13.995
325 H ASN 46 H ASN 46 6.493 8.103 -11.873
326 HA ASN 46 HA ASN 46 4.984 8.837 -9.533
327 HB2 ASN 46 HB2 ASN 46 6.813 10.247 -8.595
328 HB3 ASN 46 HB3 ASN 46 7.157 8.521 -8.519
329 HD21 ASN 46 HD21 ASN 46 9.090 7.926 -9.157
330 HD22 ASN 46 HD22 ASN 46 10.126 8.802 -10.228
331 H SER 47 H SER 47 5.420 11.440 -9.287
332 HA SER 47 HA SER 47 4.773 13.438 -10.167
333 HB2 SER 47 HB2 SER 47 6.031 14.179 -12.158
334 HB3 SER 47 HB3 SER 47 7.081 13.396 -10.978
335 HG SER 47 HG SER 47 5.936 12.002 -13.159
336 H VAL 48 H VAL 48 2.575 12.987 -10.427
337 HA VAL 48 HA VAL 48 1.687 12.084 -13.049
338 HB VAL 48 HB VAL 48 -0.104 12.681 -10.835
339 HG11 VAL 48 HG11 VAL 48 -1.217 10.566 -11.952
340 HG12 VAL 48 HG12 VAL 48 -0.228 11.082 -13.318
341 HG13 VAL 48 HG13 VAL 48 -1.421 12.182 -12.628
342 HG21 VAL 48 HG21 VAL 48 1.031 11.219 -9.550
343 HG22 VAL 48 HG22 VAL 48 1.833 10.489 -10.940
344 HG23 VAL 48 HG23 VAL 48 0.187 10.015 -10.522
345 H LYS 49 H LYS 49 2.734 14.707 -12.384
346 HA LYS 49 HA LYS 49 2.413 16.908 -12.890
347 HB2 LYS 49 HB2 LYS 49 1.760 15.663 -15.066
348 HB3 LYS 49 HB3 LYS 49 0.107 16.075 -14.625
349 HG2 LYS 49 HG2 LYS 49 0.542 18.393 -14.779
350 HG3 LYS 49 HG3 LYS 49 2.285 18.130 -14.869
351 HD2 LYS 49 HD2 LYS 49 1.703 16.768 -17.006
352 HD3 LYS 49 HD3 LYS 49 0.187 17.670 -16.954
353 HE2 LYS 49 HE2 LYS 49 1.940 18.714 -18.381
354 HE3 LYS 49 HE3 LYS 49 1.348 19.759 -17.090
355 HZ1 LYS 49 HZ1 LYS 49 3.710 18.119 -16.548
356 HZ2 LYS 49 HZ2 LYS 49 3.316 19.664 -15.984
357 HZ3 LYS 49 HZ3 LYS 49 3.901 19.463 -17.558
358 H CY1 50 HN CY1 50 1.042 15.915 -10.553
359 HA CY1 50 HA CY1 50 -1.594 17.277 -10.564
360 HB2 CY1 50 HB2 CY1 50 -0.467 15.654 -8.272
361 HB3 CY1 50 HB3 CY1 50 -1.309 14.913 -9.653
362 HD2 CY1 50 HD2 CY1 50 -2.717 13.938 -7.443
363 HD3 CY1 50 HD3 CY1 50 -3.943 14.933 -6.589
364 HE CY1 50 HE CY1 50 -1.971 16.225 -5.650
365 HM1 CY1 50 HM1 CY1 50 0.307 15.932 -4.779
366 HM2 CY1 50 HM2 CY1 50 0.674 14.274 -4.258
367 HM3 CY1 50 HM3 CY1 50 -0.700 15.143 -3.545
368 HN1 NH2 51 HN1 NH2 51 -0.507 19.367 -10.818
369 HN2 NH2 51 HN2 NH2 51 0.087 20.156 -9.355
Start of MODEL 18
1 H1 LEU 1 H1 LEU 1 -6.446 -2.115 14.694
2 H2 LEU 1 H2 LEU 1 -7.599 -1.010 15.325
3 H3 LEU 1 H3 LEU 1 -8.116 -2.356 14.394
4 HA LEU 1 HA LEU 1 -7.024 -2.286 17.110
5 HB2 LEU 1 HB2 LEU 1 -9.536 -2.143 16.263
6 HB3 LEU 1 HB3 LEU 1 -9.352 -3.883 16.148
7 HG LEU 1 HG LEU 1 -8.420 -2.871 18.709
8 HD11 LEU 1 HD11 LEU 1 -9.986 -1.262 18.934
9 HD12 LEU 1 HD12 LEU 1 -11.024 -2.637 19.314
10 HD13 LEU 1 HD13 LEU 1 -11.029 -1.951 17.690
11 HD21 LEU 1 HD21 LEU 1 -8.795 -5.185 18.453
12 HD22 LEU 1 HD22 LEU 1 -10.400 -4.928 17.768
13 HD23 LEU 1 HD23 LEU 1 -10.107 -4.598 19.476
14 H GLN 2 H GLN 2 -5.405 -3.670 17.418
15 HA GLN 2 HA GLN 2 -4.161 -5.572 17.435
16 HB2 GLN 2 HB2 GLN 2 -6.782 -6.805 16.573
17 HB3 GLN 2 HB3 GLN 2 -5.355 -7.732 17.015
18 HG2 GLN 2 HG2 GLN 2 -5.423 -6.627 19.250
19 HG3 GLN 2 HG3 GLN 2 -6.965 -5.911 18.784
20 HE21 GLN 2 HE21 GLN 2 -5.282 -8.898 19.470
21 HE22 GLN 2 HE22 GLN 2 -6.691 -9.848 19.781
22 H MET 3 H MET 3 -2.609 -6.116 16.060
23 HA MET 3 HA MET 3 -1.528 -6.745 14.154
24 HB2 MET 3 HB2 MET 3 -3.590 -8.195 13.811
25 HB3 MET 3 HB3 MET 3 -4.184 -6.915 12.763
26 HG2 MET 3 HG2 MET 3 -3.155 -8.698 11.477
27 HG3 MET 3 HG3 MET 3 -2.260 -7.189 11.304
28 HE1 MET 3 HE1 MET 3 -0.396 -9.374 10.275
29 HE2 MET 3 HE2 MET 3 -1.681 -10.422 10.876
30 HE3 MET 3 HE3 MET 3 -0.016 -10.679 11.400
31 H ALA 4 H ALA 4 -3.302 -4.027 14.529
32 HA ALA 4 HA ALA 4 -3.151 -2.847 11.968
33 HB1 ALA 4 HB1 ALA 4 -4.612 -1.607 13.118
34 HB2 ALA 4 HB2 ALA 4 -3.193 -0.743 13.712
35 HB3 ALA 4 HB3 ALA 4 -3.897 -2.048 14.668
36 H GLY 5 H GLY 5 -0.997 -3.344 11.310
37 HA2 GLY 5 HA2 GLY 5 0.886 -1.777 10.808
38 HA3 GLY 5 HA3 GLY 5 1.030 -1.567 12.549
39 H GLN 6 H GLN 6 0.688 -4.466 10.478
40 HA GLN 6 HA GLN 6 3.288 -5.326 10.646
41 HB2 GLN 6 HB2 GLN 6 1.795 -5.786 13.085
42 HB3 GLN 6 HB3 GLN 6 2.349 -7.301 12.387
43 HG2 GLN 6 HG2 GLN 6 4.062 -4.936 13.107
44 HG3 GLN 6 HG3 GLN 6 3.957 -6.462 13.980
45 HE21 GLN 6 HE21 GLN 6 6.340 -6.236 13.585
46 HE22 GLN 6 HE22 GLN 6 6.965 -6.946 12.138
47 H CYS 7 H CYS 7 2.250 -5.518 8.550
48 HA CYS 7 HA CYS 7 1.105 -8.218 8.186
49 HB2 CYS 7 HB2 CYS 7 -0.470 -6.238 7.696
50 HB3 CYS 7 HB3 CYS 7 0.580 -5.918 6.307
51 H SER 8 H SER 8 1.488 -9.075 5.965
52 HA SER 8 HA SER 8 4.145 -9.336 5.338
53 HB2 SER 8 HB2 SER 8 1.902 -9.377 3.306
54 HB3 SER 8 HB3 SER 8 3.460 -10.193 3.177
55 HG SER 8 HG SER 8 2.804 -11.381 5.098
56 H GLN 9 H GLN 9 5.352 -8.524 3.488
57 HA GLN 9 HA GLN 9 5.817 -5.877 3.568
58 HB2 GLN 9 HB2 GLN 9 7.107 -7.718 2.322
59 HB3 GLN 9 HB3 GLN 9 6.076 -7.333 0.952
60 HG2 GLN 9 HG2 GLN 9 6.871 -4.989 1.076
61 HG3 GLN 9 HG3 GLN 9 7.986 -5.477 2.351
62 HE21 GLN 9 HE21 GLN 9 7.146 -5.911 -1.028
63 HE22 GLN 9 HE22 GLN 9 8.702 -6.457 -1.541
64 H ASN 10 H ASN 10 5.362 -4.076 2.543
65 HA ASN 10 HA ASN 10 3.974 -2.472 1.821
66 HB2 ASN 10 HB2 ASN 10 3.198 -2.718 -0.547
67 HB3 ASN 10 HB3 ASN 10 4.903 -3.108 -0.346
68 HD21 ASN 10 HD21 ASN 10 5.438 -5.452 -0.193
69 HD22 ASN 10 HD22 ASN 10 4.460 -6.566 -1.078
70 H GLU 11 H GLU 11 2.642 -4.395 3.564
71 HA GLU 11 HA GLU 11 -0.045 -4.149 2.421
72 HB2 GLU 11 HB2 GLU 11 1.133 -6.277 3.888
73 HB3 GLU 11 HB3 GLU 11 -0.214 -5.629 4.808
74 HG2 GLU 11 HG2 GLU 11 -1.721 -6.518 3.443
75 HG3 GLU 11 HG3 GLU 11 -0.858 -5.991 1.997
76 H TYR 12 H TYR 12 -1.579 -2.892 3.194
77 HA TYR 12 HA TYR 12 -0.825 -1.450 5.688
78 HB2 TYR 12 HB2 TYR 12 -1.754 0.536 4.896
79 HB3 TYR 12 HB3 TYR 12 -0.863 -0.106 3.522
80 HD1 TYR 12 HD1 TYR 12 -4.181 0.612 4.892
81 HD2 TYR 12 HD2 TYR 12 -2.036 -0.889 1.545
82 HE1 TYR 12 HE1 TYR 12 -6.209 0.789 3.518
83 HE2 TYR 12 HE2 TYR 12 -4.061 -0.722 0.163
84 HH TYR 12 HH TYR 12 -7.151 -0.176 1.496
85 H PHE 13 H PHE 13 -2.032 -1.825 7.353
86 HA PHE 13 HA PHE 13 -4.638 -3.095 7.053
87 HB2 PHE 13 HB2 PHE 13 -2.958 -3.930 8.714
88 HB3 PHE 13 HB3 PHE 13 -3.163 -2.426 9.603
89 HD1 PHE 13 HD1 PHE 13 -5.295 -1.928 10.728
90 HD2 PHE 13 HD2 PHE 13 -4.600 -5.662 8.803
91 HE1 PHE 13 HE1 PHE 13 -7.189 -2.908 11.951
92 HE2 PHE 13 HE2 PHE 13 -6.502 -6.643 10.020
93 HZ PHE 13 HZ PHE 13 -7.796 -5.267 11.596
94 H ASP 14 H ASP 14 -5.899 -1.435 6.278
95 HA ASP 14 HA ASP 14 -6.086 1.138 7.429
96 HB2 ASP 14 HB2 ASP 14 -7.445 -0.330 5.373
97 HB3 ASP 14 HB3 ASP 14 -8.639 0.432 6.412
98 H SER 15 H SER 15 -6.564 1.502 9.502
99 HA SER 15 HA SER 15 -7.894 -0.304 11.160
100 HB2 SER 15 HB2 SER 15 -6.476 1.412 12.136
101 HB3 SER 15 HB3 SER 15 -7.533 2.688 11.532
102 HG SER 15 HG SER 15 -9.190 1.789 12.874
103 H LEU 16 H LEU 16 -9.169 1.567 8.690
104 HA LEU 16 HA LEU 16 -11.809 1.790 9.912
105 HB2 LEU 16 HB2 LEU 16 -10.430 3.407 8.155
106 HB3 LEU 16 HB3 LEU 16 -11.531 2.545 7.097
107 HG LEU 16 HG LEU 16 -12.686 3.755 9.551
108 HD11 LEU 16 HD11 LEU 16 -12.465 5.571 7.238
109 HD12 LEU 16 HD12 LEU 16 -11.001 5.342 8.194
110 HD13 LEU 16 HD13 LEU 16 -12.476 5.923 8.967
111 HD21 LEU 16 HD21 LEU 16 -14.522 3.160 8.453
112 HD22 LEU 16 HD22 LEU 16 -13.574 2.692 7.041
113 HD23 LEU 16 HD23 LEU 16 -14.133 4.355 7.216
114 H LEU 17 H LEU 17 -9.965 -0.110 7.702
115 HA LEU 17 HA LEU 17 -12.348 -1.525 6.743
116 HB2 LEU 17 HB2 LEU 17 -9.489 -1.674 5.794
117 HB3 LEU 17 HB3 LEU 17 -10.874 -2.438 5.031
118 HG LEU 17 HG LEU 17 -10.570 0.547 5.326
119 HD11 LEU 17 HD11 LEU 17 -8.890 -0.876 3.831
120 HD12 LEU 17 HD12 LEU 17 -9.506 0.698 3.328
121 HD13 LEU 17 HD13 LEU 17 -10.238 -0.778 2.699
122 HD21 LEU 17 HD21 LEU 17 -12.252 0.440 3.409
123 HD22 LEU 17 HD22 LEU 17 -12.838 0.045 5.026
124 HD23 LEU 17 HD23 LEU 17 -12.491 -1.244 3.874
125 H HIS 18 H HIS 18 -9.561 -1.850 8.786
126 HA HIS 18 HA HIS 18 -8.829 -3.522 10.140
127 HB2 HIS 18 HB2 HIS 18 -11.672 -4.271 9.665
128 HB3 HIS 18 HB3 HIS 18 -10.618 -5.433 10.457
129 HD1 HIS 18 HD1 HIS 18 -12.897 -2.849 11.266
130 HD2 HIS 18 HD2 HIS 18 -9.207 -4.032 12.769
131 HE1 HIS 18 HE1 HIS 18 -12.760 -1.854 13.571
132 HE2 HIS 18 HE2 HIS 18 -10.542 -2.626 14.483
133 H ALA 19 H ALA 19 -8.031 -3.631 7.506
134 HA ALA 19 HA ALA 19 -7.367 -6.423 7.244
135 HB1 ALA 19 HB1 ALA 19 -8.171 -5.550 4.637
136 HB2 ALA 19 HB2 ALA 19 -9.528 -5.417 5.763
137 HB3 ALA 19 HB3 ALA 19 -8.704 -6.963 5.554
138 H CYS 20 H CYS 20 -5.243 -6.373 6.936
139 HA CYS 20 HA CYS 20 -3.969 -4.064 5.902
140 HB2 CYS 20 HB2 CYS 20 -1.868 -5.350 6.017
141 HB3 CYS 20 HB3 CYS 20 -2.774 -5.438 7.520
142 H ILE 21 H ILE 21 -4.236 -3.500 3.920
143 HA ILE 21 HA ILE 21 -4.449 -5.490 1.785
144 HB ILE 21 HB ILE 21 -5.159 -2.566 1.879
145 HG12 ILE 21 HG12 ILE 21 -7.228 -4.677 1.566
146 HG13 ILE 21 HG13 ILE 21 -6.486 -4.515 3.154
147 HG21 ILE 21 HG21 ILE 21 -4.545 -3.542 -0.398
148 HG22 ILE 21 HG22 ILE 21 -6.099 -2.726 -0.261
149 HG23 ILE 21 HG23 ILE 21 -6.029 -4.487 -0.260
150 HD11 ILE 21 HD11 ILE 21 -8.033 -2.970 3.536
151 HD12 ILE 21 HD12 ILE 21 -8.442 -2.834 1.825
152 HD13 ILE 21 HD13 ILE 21 -7.083 -1.921 2.484
153 HA PRO 22 HA PRO 22 -0.498 -4.331 0.185
154 HB2 PRO 22 HB2 PRO 22 -0.887 -4.868 -2.469
155 HB3 PRO 22 HB3 PRO 22 -0.561 -6.112 -1.257
156 HG2 PRO 22 HG2 PRO 22 -3.180 -5.231 -2.413
157 HG3 PRO 22 HG3 PRO 22 -2.594 -6.877 -2.094
158 HD2 PRO 22 HD2 PRO 22 -4.310 -5.654 -0.416
159 HD3 PRO 22 HD3 PRO 22 -3.032 -6.725 0.189
160 H CYS 23 H CYS 23 0.318 -2.404 -0.272
161 HA CYS 23 HA CYS 23 -1.212 -0.152 -0.838
162 HB2 CYS 23 HB2 CYS 23 1.691 -0.312 -1.622
163 HB3 CYS 23 HB3 CYS 23 0.789 1.066 -1.004
164 H GLN 24 H GLN 24 0.434 -2.338 -3.048
165 HA GLN 24 HA GLN 24 0.493 -0.916 -5.373
166 HB2 GLN 24 HB2 GLN 24 1.394 -3.122 -5.331
167 HB3 GLN 24 HB3 GLN 24 -0.168 -3.817 -4.923
168 HG2 GLN 24 HG2 GLN 24 -1.015 -3.161 -7.132
169 HG3 GLN 24 HG3 GLN 24 0.583 -2.534 -7.538
170 HE21 GLN 24 HE21 GLN 24 -1.433 -5.161 -7.722
171 HE22 GLN 24 HE22 GLN 24 -0.265 -6.381 -8.085
172 H LEU 25 H LEU 25 -2.260 -2.676 -4.098
173 HA LEU 25 HA LEU 25 -4.013 -2.054 -6.214
174 HB2 LEU 25 HB2 LEU 25 -4.064 -3.699 -3.976
175 HB3 LEU 25 HB3 LEU 25 -5.354 -2.546 -3.692
176 HG LEU 25 HG LEU 25 -5.981 -3.187 -6.197
177 HD11 LEU 25 HD11 LEU 25 -4.478 -4.741 -6.890
178 HD12 LEU 25 HD12 LEU 25 -5.636 -5.821 -6.113
179 HD13 LEU 25 HD13 LEU 25 -4.172 -5.337 -5.259
180 HD21 LEU 25 HD21 LEU 25 -6.627 -4.789 -3.728
181 HD22 LEU 25 HD22 LEU 25 -7.503 -4.911 -5.254
182 HD23 LEU 25 HD23 LEU 25 -7.503 -3.393 -4.355
183 H ARG 26 H ARG 26 -2.732 -0.007 -3.938
184 HA ARG 26 HA ARG 26 -5.045 1.780 -4.164
185 HB2 ARG 26 HB2 ARG 26 -4.624 0.852 -1.826
186 HB3 ARG 26 HB3 ARG 26 -3.169 1.846 -1.823
187 HG2 ARG 26 HG2 ARG 26 -4.391 3.520 -1.064
188 HG3 ARG 26 HG3 ARG 26 -5.230 3.553 -2.616
189 HD2 ARG 26 HD2 ARG 26 -6.071 1.606 -0.523
190 HD3 ARG 26 HD3 ARG 26 -6.559 3.290 -0.378
191 HE ARG 26 HE ARG 26 -7.223 2.625 -2.940
192 HH11 ARG 26 HH11 ARG 26 -7.983 1.295 0.197
193 HH12 ARG 26 HH12 ARG 26 -9.528 0.691 -0.295
194 HH21 ARG 26 HH21 ARG 26 -9.257 1.828 -3.589
195 HH22 ARG 26 HH22 ARG 26 -10.253 0.992 -2.443
196 H CYS 27 H CYS 27 -2.007 1.370 -5.127
197 HA CYS 27 HA CYS 27 -1.147 4.129 -4.933
198 HB2 CYS 27 HB2 CYS 27 0.552 2.406 -4.606
199 HB3 CYS 27 HB3 CYS 27 0.216 1.745 -6.204
200 H SER 28 H SER 28 -2.633 1.985 -7.200
201 HA SER 28 HA SER 28 -1.949 3.161 -9.559
202 HB2 SER 28 HB2 SER 28 -3.987 2.080 -10.499
203 HB3 SER 28 HB3 SER 28 -2.973 0.993 -9.550
204 HG SER 28 HG SER 28 -5.199 2.377 -8.476
205 H SER 29 H SER 29 -3.822 4.500 -7.177
206 HA SER 29 HA SER 29 -4.221 6.906 -8.449
207 HB2 SER 29 HB2 SER 29 -5.964 6.561 -9.795
208 HB3 SER 29 HB3 SER 29 -6.128 4.904 -9.216
209 HG SER 29 HG SER 29 -7.909 6.602 -8.883
210 H ASN 30 H ASN 30 -5.972 8.212 -7.385
211 HA ASN 30 HA ASN 30 -6.952 9.147 -5.557
212 HB2 ASN 30 HB2 ASN 30 -6.985 6.284 -4.876
213 HB3 ASN 30 HB3 ASN 30 -7.025 7.368 -3.489
214 HD21 ASN 30 HD21 ASN 30 -8.437 7.441 -6.743
215 HD22 ASN 30 HD22 ASN 30 -10.058 7.715 -6.216
216 H THR 31 H THR 31 -3.862 7.919 -5.627
217 HA THR 31 HA THR 31 -2.040 8.020 -4.214
218 HB THR 31 HB THR 31 -1.909 9.966 -5.640
219 HG1 THR 31 HG1 THR 31 -0.690 9.761 -3.391
220 HG21 THR 31 HG21 THR 31 -3.735 11.296 -5.481
221 HG22 THR 31 HG22 THR 31 -2.642 12.189 -4.424
222 HG23 THR 31 HG23 THR 31 -3.857 11.113 -3.731
223 HA PRO 32 HA PRO 32 -3.870 8.899 -0.069
224 HB2 PRO 32 HB2 PRO 32 -5.475 6.873 0.469
225 HB3 PRO 32 HB3 PRO 32 -5.979 8.105 -0.696
226 HG2 PRO 32 HG2 PRO 32 -5.138 5.311 -1.157
227 HG3 PRO 32 HG3 PRO 32 -6.160 6.357 -2.158
228 HD2 PRO 32 HD2 PRO 32 -3.254 5.877 -2.398
229 HD3 PRO 32 HD3 PRO 32 -4.315 6.759 -3.517
230 HA PRO 33 HA PRO 33 -1.269 5.009 1.060
231 HB2 PRO 33 HB2 PRO 33 1.119 5.087 -0.069
232 HB3 PRO 33 HB3 PRO 33 -0.275 4.514 -0.993
233 HG2 PRO 33 HG2 PRO 33 1.045 7.204 -1.036
234 HG3 PRO 33 HG3 PRO 33 0.511 6.202 -2.399
235 HD2 PRO 33 HD2 PRO 33 -0.949 8.285 -1.347
236 HD3 PRO 33 HD3 PRO 33 -1.645 6.912 -2.228
237 H LEU 34 H LEU 34 -1.515 6.469 2.950
238 HA LEU 34 HA LEU 34 0.580 8.316 3.497
239 HB2 LEU 34 HB2 LEU 34 -1.140 7.062 5.632
240 HB3 LEU 34 HB3 LEU 34 -0.357 8.627 5.651
241 HG LEU 34 HG LEU 34 -2.754 7.829 4.003
242 HD11 LEU 34 HD11 LEU 34 -2.741 8.524 6.582
243 HD12 LEU 34 HD12 LEU 34 -4.036 8.970 5.471
244 HD13 LEU 34 HD13 LEU 34 -2.764 10.130 5.853
245 HD21 LEU 34 HD21 LEU 34 -0.779 9.857 3.517
246 HD22 LEU 34 HD22 LEU 34 -2.338 10.600 3.871
247 HD23 LEU 34 HD23 LEU 34 -2.198 9.425 2.562
248 H THR 35 H THR 35 -0.032 4.982 4.659
249 HA THR 35 HA THR 35 2.645 4.937 5.778
250 HB THR 35 HB THR 35 0.846 3.926 7.095
251 HG1 THR 35 HG1 THR 35 1.823 1.870 7.369
252 HG21 THR 35 HG21 THR 35 0.251 1.524 5.942
253 HG22 THR 35 HG22 THR 35 0.175 2.635 4.575
254 HG23 THR 35 HG23 THR 35 -0.815 2.927 6.006
255 H CYS 36 H CYS 36 1.486 4.769 2.780
256 HA CYS 36 HA CYS 36 3.371 2.667 1.979
257 HB2 CYS 36 HB2 CYS 36 0.684 3.336 0.799
258 HB3 CYS 36 HB3 CYS 36 1.865 2.311 -0.008
259 H GLN 37 H GLN 37 2.772 5.944 1.869
260 HA GLN 37 HA GLN 37 3.174 6.873 -0.633
261 HB2 GLN 37 HB2 GLN 37 4.676 8.664 0.456
262 HB3 GLN 37 HB3 GLN 37 3.043 8.501 1.092
263 HG2 GLN 37 HG2 GLN 37 4.335 6.806 2.721
264 HG3 GLN 37 HG3 GLN 37 5.646 7.924 2.349
265 HE21 GLN 37 HE21 GLN 37 5.378 8.233 4.735
266 HE22 GLN 37 HE22 GLN 37 4.279 9.462 5.253
267 H ARG 38 H ARG 38 5.743 5.793 1.505
268 HA ARG 38 HA ARG 38 7.895 6.163 -0.228
269 HB2 ARG 38 HB2 ARG 38 7.515 5.126 2.342
270 HB3 ARG 38 HB3 ARG 38 8.241 3.809 1.431
271 HG2 ARG 38 HG2 ARG 38 9.565 6.343 0.938
272 HG3 ARG 38 HG3 ARG 38 9.572 5.897 2.645
273 HD2 ARG 38 HD2 ARG 38 10.298 3.893 0.551
274 HD3 ARG 38 HD3 ARG 38 11.480 5.080 1.082
275 HE ARG 38 HE ARG 38 10.223 3.036 2.797
276 HH11 ARG 38 HH11 ARG 38 12.789 5.343 2.215
277 HH12 ARG 38 HH12 ARG 38 13.729 4.814 3.566
278 HH21 ARG 38 HH21 ARG 38 11.463 2.354 4.572
279 HH22 ARG 38 HH22 ARG 38 12.981 3.124 4.903
280 H TYR 39 H TYR 39 5.704 3.408 0.144
281 HA TYR 39 HA TYR 39 7.130 1.804 -1.731
282 HB2 TYR 39 HB2 TYR 39 5.679 0.965 0.211
283 HB3 TYR 39 HB3 TYR 39 4.305 1.280 -0.846
284 HD1 TYR 39 HD1 TYR 39 7.248 -0.825 -0.282
285 HD2 TYR 39 HD2 TYR 39 3.917 -0.077 -2.824
286 HE1 TYR 39 HE1 TYR 39 7.602 -2.999 -1.377
287 HE2 TYR 39 HE2 TYR 39 4.259 -2.250 -3.921
288 HH TYR 39 HH TYR 39 5.300 -4.406 -3.455
289 H CYS 40 H CYS 40 4.074 3.611 -1.833
290 HA CYS 40 HA CYS 40 3.392 2.871 -4.459
291 HB2 CYS 40 HB2 CYS 40 1.709 3.922 -3.083
292 HB3 CYS 40 HB3 CYS 40 2.691 5.375 -2.906
293 H ASN 41 H ASN 41 5.429 5.466 -3.222
294 HA ASN 41 HA ASN 41 5.866 6.566 -5.810
295 HB2 ASN 41 HB2 ASN 41 6.759 8.312 -4.707
296 HB3 ASN 41 HB3 ASN 41 6.223 7.506 -3.240
297 HD21 ASN 41 HD21 ASN 41 7.919 5.558 -2.784
298 HD22 ASN 41 HD22 ASN 41 9.544 6.131 -2.644
299 H ALA 42 H ALA 42 7.016 3.908 -4.167
300 HA ALA 42 HA ALA 42 9.378 3.741 -5.905
301 HB1 ALA 42 HB1 ALA 42 10.511 2.474 -4.297
302 HB2 ALA 42 HB2 ALA 42 9.027 2.096 -3.422
303 HB3 ALA 42 HB3 ALA 42 9.698 3.726 -3.358
304 H SER 43 H SER 43 6.554 3.051 -6.408
305 HA SER 43 HA SER 43 6.977 0.278 -7.239
306 HB2 SER 43 HB2 SER 43 5.327 0.562 -5.306
307 HB3 SER 43 HB3 SER 43 4.268 1.356 -6.473
308 HG SER 43 HG SER 43 3.915 -0.942 -6.221
309 H VAL 44 H VAL 44 5.764 3.453 -7.951
310 HA VAL 44 HA VAL 44 5.810 2.902 -10.763
311 HB VAL 44 HB VAL 44 3.538 2.105 -10.202
312 HG11 VAL 44 HG11 VAL 44 3.497 4.088 -8.345
313 HG12 VAL 44 HG12 VAL 44 2.075 3.216 -8.916
314 HG13 VAL 44 HG13 VAL 44 2.489 4.781 -9.615
315 HG21 VAL 44 HG21 VAL 44 4.044 3.215 -12.379
316 HG22 VAL 44 HG22 VAL 44 3.424 4.721 -11.699
317 HG23 VAL 44 HG23 VAL 44 2.354 3.331 -11.885
318 H THR 45 H THR 45 7.499 4.515 -9.958
319 HA THR 45 HA THR 45 7.504 6.871 -9.036
320 HB THR 45 HB THR 45 8.525 7.284 -11.689
321 HG1 THR 45 HG1 THR 45 9.693 5.469 -11.956
322 HG21 THR 45 HG21 THR 45 9.769 6.862 -8.994
323 HG22 THR 45 HG22 THR 45 9.633 8.354 -9.925
324 HG23 THR 45 HG23 THR 45 10.726 7.078 -10.461
325 H ASN 46 H ASN 46 6.892 8.988 -9.380
326 HA ASN 46 HA ASN 46 4.382 9.477 -10.473
327 HB2 ASN 46 HB2 ASN 46 4.899 11.861 -10.183
328 HB3 ASN 46 HB3 ASN 46 5.413 10.924 -8.784
329 HD21 ASN 46 HD21 ASN 46 7.011 12.212 -8.061
330 HD22 ASN 46 HD22 ASN 46 8.448 12.572 -8.951
331 H SER 47 H SER 47 4.377 11.647 -12.053
332 HA SER 47 HA SER 47 4.584 12.413 -14.188
333 HB2 SER 47 HB2 SER 47 7.128 11.892 -13.568
334 HB3 SER 47 HB3 SER 47 6.914 10.661 -14.812
335 HG SER 47 HG SER 47 6.532 13.458 -15.071
336 H VAL 48 H VAL 48 2.863 11.653 -15.247
337 HA VAL 48 HA VAL 48 2.934 9.872 -17.283
338 HB VAL 48 HB VAL 48 1.441 8.028 -16.179
339 HG11 VAL 48 HG11 VAL 48 3.102 6.779 -16.938
340 HG12 VAL 48 HG12 VAL 48 4.078 7.183 -15.525
341 HG13 VAL 48 HG13 VAL 48 4.148 8.200 -16.965
342 HG21 VAL 48 HG21 VAL 48 3.310 8.192 -13.898
343 HG22 VAL 48 HG22 VAL 48 1.644 7.617 -13.963
344 HG23 VAL 48 HG23 VAL 48 1.978 9.348 -13.905
345 H LYS 49 H LYS 49 1.540 11.152 -18.234
346 HA LYS 49 HA LYS 49 -0.439 12.066 -18.896
347 HB2 LYS 49 HB2 LYS 49 -1.198 9.690 -18.489
348 HB3 LYS 49 HB3 LYS 49 -1.742 10.212 -16.900
349 HG2 LYS 49 HG2 LYS 49 -2.694 11.650 -19.334
350 HG3 LYS 49 HG3 LYS 49 -3.416 10.104 -18.882
351 HD2 LYS 49 HD2 LYS 49 -3.345 11.517 -16.504
352 HD3 LYS 49 HD3 LYS 49 -3.762 12.741 -17.705
353 HE2 LYS 49 HE2 LYS 49 -5.854 11.977 -17.259
354 HE3 LYS 49 HE3 LYS 49 -5.412 10.819 -18.513
355 HZ1 LYS 49 HZ1 LYS 49 -4.910 10.254 -15.656
356 HZ2 LYS 49 HZ2 LYS 49 -5.011 9.165 -16.947
357 HZ3 LYS 49 HZ3 LYS 49 -6.409 9.920 -16.368
358 H CY1 50 H CY1 50 -1.218 14.006 -18.394
359 HA CY1 50 HA CY1 50 -1.156 14.861 -15.600
360 HB2 CY1 50 HB2 CY1 50 -0.907 16.193 -18.217
361 HB3 CY1 50 HB3 CY1 50 -1.823 17.097 -17.016
362 HD2 CY1 50 HD2 CY1 50 1.337 18.189 -17.201
363 HD3 CY1 50 HD3 CY1 50 0.200 19.314 -17.533
364 HE CY1 50 HE CY1 50 0.177 19.556 -14.868
365 HM1 CY1 50 HM1 CY1 50 3.272 20.722 -13.860
366 HM2 CY1 50 HM2 CY1 50 1.605 20.293 -13.355
367 HM3 CY1 50 HM3 CY1 50 1.928 21.795 -14.199
368 HN1 NH2 51 HN1 NH2 51 -3.041 14.057 -14.705
369 HN2 NH2 51 HN2 NH2 51 -4.619 14.532 -15.224
Start of MODEL 19
1 H1 LEU 1 H1 LEU 1 -4.902 0.887 17.073
2 H2 LEU 1 H2 LEU 1 -6.271 -0.124 16.850
3 H3 LEU 1 H3 LEU 1 -5.403 0.457 15.491
4 HA LEU 1 HA LEU 1 -4.340 -1.336 17.566
5 HB2 LEU 1 HB2 LEU 1 -5.878 -1.750 15.106
6 HB3 LEU 1 HB3 LEU 1 -4.411 -2.706 15.195
7 HG LEU 1 HG LEU 1 -6.297 -2.686 17.515
8 HD11 LEU 1 HD11 LEU 1 -7.886 -3.894 16.515
9 HD12 LEU 1 HD12 LEU 1 -6.711 -4.877 15.642
10 HD13 LEU 1 HD13 LEU 1 -7.200 -3.311 15.000
11 HD21 LEU 1 HD21 LEU 1 -4.698 -4.976 16.428
12 HD22 LEU 1 HD22 LEU 1 -5.298 -4.716 18.065
13 HD23 LEU 1 HD23 LEU 1 -3.954 -3.751 17.455
14 H GLN 2 H GLN 2 -3.906 0.374 14.510
15 HA GLN 2 HA GLN 2 -2.081 0.862 13.260
16 HB2 GLN 2 HB2 GLN 2 -0.302 1.871 14.412
17 HB3 GLN 2 HB3 GLN 2 -1.712 2.117 15.427
18 HG2 GLN 2 HG2 GLN 2 -0.999 0.489 16.983
19 HG3 GLN 2 HG3 GLN 2 0.233 -0.126 15.887
20 HE21 GLN 2 HE21 GLN 2 -0.719 2.841 17.569
21 HE22 GLN 2 HE22 GLN 2 0.890 3.360 17.923
22 H MET 3 H MET 3 -1.047 -0.425 11.922
23 HA MET 3 HA MET 3 0.343 -2.027 11.104
24 HB2 MET 3 HB2 MET 3 1.871 -1.235 12.922
25 HB3 MET 3 HB3 MET 3 1.235 -2.507 13.951
26 HG2 MET 3 HG2 MET 3 3.359 -3.123 12.944
27 HG3 MET 3 HG3 MET 3 2.051 -4.188 12.435
28 HE1 MET 3 HE1 MET 3 4.166 -0.921 10.172
29 HE2 MET 3 HE2 MET 3 5.168 -2.322 10.555
30 HE3 MET 3 HE3 MET 3 4.345 -1.447 11.847
31 H ALA 4 H ALA 4 -1.465 -2.954 14.012
32 HA ALA 4 HA ALA 4 -2.483 -4.897 14.625
33 HB1 ALA 4 HB1 ALA 4 -3.402 -5.767 12.068
34 HB2 ALA 4 HB2 ALA 4 -3.462 -4.005 12.141
35 HB3 ALA 4 HB3 ALA 4 -4.295 -4.967 13.362
36 H GLY 5 H GLY 5 -1.105 -6.401 15.323
37 HA2 GLY 5 HA2 GLY 5 0.281 -8.280 15.319
38 HA3 GLY 5 HA3 GLY 5 -0.786 -8.828 14.036
39 H GLN 6 H GLN 6 1.059 -5.970 13.357
40 HA GLN 6 HA GLN 6 2.917 -5.595 12.108
41 HB2 GLN 6 HB2 GLN 6 3.554 -8.003 13.395
42 HB3 GLN 6 HB3 GLN 6 3.899 -8.286 11.694
43 HG2 GLN 6 HG2 GLN 6 4.883 -5.713 12.589
44 HG3 GLN 6 HG3 GLN 6 5.548 -7.047 13.530
45 HE21 GLN 6 HE21 GLN 6 7.195 -8.142 12.706
46 HE22 GLN 6 HE22 GLN 6 7.760 -8.035 11.077
47 H CYS 7 H CYS 7 1.100 -5.212 10.691
48 HA CYS 7 HA CYS 7 -0.093 -6.699 8.812
49 HB2 CYS 7 HB2 CYS 7 1.116 -3.987 8.621
50 HB3 CYS 7 HB3 CYS 7 0.529 -4.735 7.141
51 H SER 8 H SER 8 0.315 -7.657 6.830
52 HA SER 8 HA SER 8 2.883 -8.741 6.417
53 HB2 SER 8 HB2 SER 8 0.554 -8.474 4.500
54 HB3 SER 8 HB3 SER 8 2.003 -9.423 4.181
55 HG SER 8 HG SER 8 -0.139 -10.237 5.402
56 H GLN 9 H GLN 9 4.263 -8.365 4.557
57 HA GLN 9 HA GLN 9 5.173 -5.793 4.412
58 HB2 GLN 9 HB2 GLN 9 6.348 -7.921 3.673
59 HB3 GLN 9 HB3 GLN 9 5.484 -7.757 2.152
60 HG2 GLN 9 HG2 GLN 9 6.508 -5.451 1.981
61 HG3 GLN 9 HG3 GLN 9 7.556 -5.929 3.315
62 HE21 GLN 9 HE21 GLN 9 8.630 -8.119 2.951
63 HE22 GLN 9 HE22 GLN 9 9.308 -8.378 1.383
64 H ASN 10 H ASN 10 4.831 -4.037 3.277
65 HA ASN 10 HA ASN 10 3.756 -2.512 2.015
66 HB2 ASN 10 HB2 ASN 10 3.484 -4.825 0.086
67 HB3 ASN 10 HB3 ASN 10 3.279 -3.124 -0.321
68 HD21 ASN 10 HD21 ASN 10 5.267 -1.801 0.614
69 HD22 ASN 10 HD22 ASN 10 6.802 -2.423 0.121
70 H GLU 11 H GLU 11 2.195 -4.094 3.892
71 HA GLU 11 HA GLU 11 -0.422 -3.778 2.590
72 HB2 GLU 11 HB2 GLU 11 0.606 -6.036 3.888
73 HB3 GLU 11 HB3 GLU 11 -0.588 -5.364 4.984
74 HG2 GLU 11 HG2 GLU 11 -2.302 -5.982 3.683
75 HG3 GLU 11 HG3 GLU 11 -1.476 -5.528 2.197
76 H TYR 12 H TYR 12 -2.055 -2.606 3.533
77 HA TYR 12 HA TYR 12 -1.166 -1.183 5.989
78 HB2 TYR 12 HB2 TYR 12 -2.264 0.808 5.278
79 HB3 TYR 12 HB3 TYR 12 -1.224 0.260 3.974
80 HD1 TYR 12 HD1 TYR 12 -4.702 0.728 5.055
81 HD2 TYR 12 HD2 TYR 12 -2.156 -0.467 1.873
82 HE1 TYR 12 HE1 TYR 12 -6.590 0.902 3.485
83 HE2 TYR 12 HE2 TYR 12 -4.032 -0.301 0.295
84 HH TYR 12 HH TYR 12 -6.865 1.284 0.964
85 H PHE 13 H PHE 13 -2.280 -1.497 7.720
86 HA PHE 13 HA PHE 13 -4.742 -2.950 7.740
87 HB2 PHE 13 HB2 PHE 13 -3.200 -3.249 9.568
88 HB3 PHE 13 HB3 PHE 13 -3.206 -1.531 9.925
89 HD1 PHE 13 HD1 PHE 13 -5.578 -4.398 9.655
90 HD2 PHE 13 HD2 PHE 13 -4.494 -0.806 11.658
91 HE1 PHE 13 HE1 PHE 13 -7.402 -4.753 11.266
92 HE2 PHE 13 HE2 PHE 13 -6.310 -1.147 13.274
93 HZ PHE 13 HZ PHE 13 -7.779 -3.124 13.078
94 H ASP 14 H ASP 14 -6.263 -1.700 6.607
95 HA ASP 14 HA ASP 14 -6.785 1.026 7.150
96 HB2 ASP 14 HB2 ASP 14 -7.618 -0.590 5.209
97 HB3 ASP 14 HB3 ASP 14 -9.000 -0.759 6.285
98 H SER 15 H SER 15 -7.212 1.672 9.179
99 HA SER 15 HA SER 15 -8.379 0.178 11.188
100 HB2 SER 15 HB2 SER 15 -8.938 2.414 12.240
101 HB3 SER 15 HB3 SER 15 -7.251 2.218 11.765
102 HG SER 15 HG SER 15 -8.871 3.276 9.804
103 H LEU 16 H LEU 16 -9.821 1.681 8.468
104 HA LEU 16 HA LEU 16 -12.490 1.670 9.591
105 HB2 LEU 16 HB2 LEU 16 -11.852 3.413 8.003
106 HB3 LEU 16 HB3 LEU 16 -11.522 2.199 6.781
107 HG LEU 16 HG LEU 16 -14.257 2.356 7.974
108 HD11 LEU 16 HD11 LEU 16 -13.794 3.929 5.530
109 HD12 LEU 16 HD12 LEU 16 -13.183 4.633 7.027
110 HD13 LEU 16 HD13 LEU 16 -14.891 4.217 6.881
111 HD21 LEU 16 HD21 LEU 16 -14.088 1.963 5.138
112 HD22 LEU 16 HD22 LEU 16 -14.717 0.883 6.381
113 HD23 LEU 16 HD23 LEU 16 -13.004 0.846 5.966
114 H LEU 17 H LEU 17 -10.446 -0.420 7.705
115 HA LEU 17 HA LEU 17 -12.705 -2.171 7.057
116 HB2 LEU 17 HB2 LEU 17 -9.836 -2.314 6.139
117 HB3 LEU 17 HB3 LEU 17 -11.160 -3.301 5.550
118 HG LEU 17 HG LEU 17 -11.045 -0.302 5.244
119 HD11 LEU 17 HD11 LEU 17 -10.301 -0.621 3.004
120 HD12 LEU 17 HD12 LEU 17 -10.429 -2.374 3.147
121 HD13 LEU 17 HD13 LEU 17 -9.196 -1.501 4.058
122 HD21 LEU 17 HD21 LEU 17 -13.140 -2.150 4.938
123 HD22 LEU 17 HD22 LEU 17 -12.621 -1.716 3.309
124 HD23 LEU 17 HD23 LEU 17 -13.110 -0.457 4.444
125 H HIS 18 H HIS 18 -9.960 -1.933 9.181
126 HA HIS 18 HA HIS 18 -9.172 -3.314 10.811
127 HB2 HIS 18 HB2 HIS 18 -11.910 -4.425 10.353
128 HB3 HIS 18 HB3 HIS 18 -10.785 -5.296 11.383
129 HD1 HIS 18 HD1 HIS 18 -12.806 -2.154 11.218
130 HD2 HIS 18 HD2 HIS 18 -10.268 -4.108 13.864
131 HE1 HIS 18 HE1 HIS 18 -13.062 -0.947 13.409
132 HE2 HIS 18 HE2 HIS 18 -11.438 -2.081 14.966
133 H ALA 19 H ALA 19 -7.981 -3.676 8.554
134 HA ALA 19 HA ALA 19 -7.017 -6.300 8.562
135 HB1 ALA 19 HB1 ALA 19 -9.338 -5.969 7.006
136 HB2 ALA 19 HB2 ALA 19 -8.244 -7.354 7.035
137 HB3 ALA 19 HB3 ALA 19 -7.978 -6.039 5.879
138 H CYS 20 H CYS 20 -5.256 -6.508 7.303
139 HA CYS 20 HA CYS 20 -4.029 -4.054 6.441
140 HB2 CYS 20 HB2 CYS 20 -2.908 -6.865 6.328
141 HB3 CYS 20 HB3 CYS 20 -2.002 -5.380 6.091
142 H ILE 21 H ILE 21 -4.585 -3.290 4.556
143 HA ILE 21 HA ILE 21 -5.194 -5.072 2.307
144 HB ILE 21 HB ILE 21 -5.818 -2.189 2.897
145 HG12 ILE 21 HG12 ILE 21 -8.109 -2.850 2.836
146 HG13 ILE 21 HG13 ILE 21 -7.721 -4.393 2.088
147 HG21 ILE 21 HG21 ILE 21 -5.132 -2.509 0.477
148 HG22 ILE 21 HG22 ILE 21 -6.738 -1.844 0.745
149 HG23 ILE 21 HG23 ILE 21 -6.553 -3.539 0.308
150 HD11 ILE 21 HD11 ILE 21 -8.343 -4.223 4.621
151 HD12 ILE 21 HD12 ILE 21 -6.642 -3.805 4.785
152 HD13 ILE 21 HD13 ILE 21 -7.099 -5.344 4.066
153 HA PRO 22 HA PRO 22 -1.370 -3.926 0.411
154 HB2 PRO 22 HB2 PRO 22 -1.853 -4.618 -2.156
155 HB3 PRO 22 HB3 PRO 22 -1.620 -5.824 -0.883
156 HG2 PRO 22 HG2 PRO 22 -4.176 -4.763 -2.040
157 HG3 PRO 22 HG3 PRO 22 -3.720 -6.447 -1.710
158 HD2 PRO 22 HD2 PRO 22 -5.287 -5.021 -0.014
159 HD3 PRO 22 HD3 PRO 22 -4.140 -6.244 0.567
160 H CYS 23 H CYS 23 -0.416 -2.312 -0.802
161 HA CYS 23 HA CYS 23 -2.189 -0.092 -1.515
162 HB2 CYS 23 HB2 CYS 23 0.770 0.216 -1.534
163 HB3 CYS 23 HB3 CYS 23 -0.477 1.339 -1.001
164 H GLN 24 H GLN 24 -0.011 -2.377 -2.992
165 HA GLN 24 HA GLN 24 0.754 -1.064 -5.283
166 HB2 GLN 24 HB2 GLN 24 1.552 -3.303 -4.716
167 HB3 GLN 24 HB3 GLN 24 -0.049 -3.960 -5.030
168 HG2 GLN 24 HG2 GLN 24 1.407 -4.417 -6.890
169 HG3 GLN 24 HG3 GLN 24 0.145 -3.286 -7.377
170 HE21 GLN 24 HE21 GLN 24 3.192 -3.949 -7.944
171 HE22 GLN 24 HE22 GLN 24 3.854 -2.371 -8.179
172 H LEU 25 H LEU 25 -2.128 -3.060 -4.947
173 HA LEU 25 HA LEU 25 -3.208 -2.376 -7.452
174 HB2 LEU 25 HB2 LEU 25 -3.879 -4.095 -5.310
175 HB3 LEU 25 HB3 LEU 25 -5.280 -3.084 -5.605
176 HG LEU 25 HG LEU 25 -5.431 -5.160 -6.862
177 HD11 LEU 25 HD11 LEU 25 -4.904 -2.801 -8.662
178 HD12 LEU 25 HD12 LEU 25 -6.414 -3.131 -7.812
179 HD13 LEU 25 HD13 LEU 25 -5.849 -4.232 -9.068
180 HD21 LEU 25 HD21 LEU 25 -3.564 -4.891 -8.908
181 HD22 LEU 25 HD22 LEU 25 -3.558 -6.090 -7.615
182 HD23 LEU 25 HD23 LEU 25 -2.658 -4.586 -7.427
183 H ARG 26 H ARG 26 -2.855 -0.508 -4.710
184 HA ARG 26 HA ARG 26 -5.132 1.182 -5.423
185 HB2 ARG 26 HB2 ARG 26 -3.686 1.272 -2.799
186 HB3 ARG 26 HB3 ARG 26 -5.254 1.954 -3.191
187 HG2 ARG 26 HG2 ARG 26 -4.776 -1.001 -3.283
188 HG3 ARG 26 HG3 ARG 26 -5.194 -0.174 -1.780
189 HD2 ARG 26 HD2 ARG 26 -6.807 -0.221 -4.326
190 HD3 ARG 26 HD3 ARG 26 -7.183 -1.069 -2.833
191 HE ARG 26 HE ARG 26 -7.166 1.877 -3.092
192 HH11 ARG 26 HH11 ARG 26 -8.509 -1.054 -1.725
193 HH12 ARG 26 HH12 ARG 26 -9.690 -0.210 -0.784
194 HH21 ARG 26 HH21 ARG 26 -8.716 2.968 -1.852
195 HH22 ARG 26 HH22 ARG 26 -9.808 2.067 -0.855
196 H CYS 27 H CYS 27 -1.941 0.972 -5.803
197 HA CYS 27 HA CYS 27 -1.041 3.606 -5.216
198 HB2 CYS 27 HB2 CYS 27 0.536 1.735 -5.457
199 HB3 CYS 27 HB3 CYS 27 0.120 1.600 -7.164
200 H SER 28 H SER 28 -3.298 4.267 -6.394
201 HA SER 28 HA SER 28 -2.503 5.623 -8.727
202 HB2 SER 28 HB2 SER 28 -4.126 3.220 -8.827
203 HB3 SER 28 HB3 SER 28 -4.892 4.588 -9.633
204 HG SER 28 HG SER 28 -2.207 3.848 -10.125
205 H SER 29 H SER 29 -2.962 7.022 -6.649
206 HA SER 29 HA SER 29 -4.189 8.700 -5.719
207 HB2 SER 29 HB2 SER 29 -5.578 9.917 -7.119
208 HB3 SER 29 HB3 SER 29 -4.563 9.050 -8.271
209 HG SER 29 HG SER 29 -6.268 8.046 -8.975
210 H ASN 30 H ASN 30 -5.930 9.077 -4.416
211 HA ASN 30 HA ASN 30 -7.717 8.627 -3.078
212 HB2 ASN 30 HB2 ASN 30 -8.394 7.316 -5.584
213 HB3 ASN 30 HB3 ASN 30 -9.087 6.475 -4.202
214 HD21 ASN 30 HD21 ASN 30 -10.278 7.826 -2.646
215 HD22 ASN 30 HD22 ASN 30 -11.210 9.145 -3.261
216 H THR 31 H THR 31 -5.330 7.520 -2.368
217 HA THR 31 HA THR 31 -6.138 5.419 -0.686
218 HB THR 31 HB THR 31 -4.223 4.757 -2.906
219 HG1 THR 31 HG1 THR 31 -6.063 4.216 -3.764
220 HG21 THR 31 HG21 THR 31 -4.163 3.710 -0.336
221 HG22 THR 31 HG22 THR 31 -3.424 3.025 -1.783
222 HG23 THR 31 HG23 THR 31 -5.039 2.516 -1.295
223 HA PRO 32 HA PRO 32 -2.752 8.437 0.694
224 HB2 PRO 32 HB2 PRO 32 -3.649 7.926 3.343
225 HB3 PRO 32 HB3 PRO 32 -3.895 9.393 2.394
226 HG2 PRO 32 HG2 PRO 32 -5.703 7.074 2.822
227 HG3 PRO 32 HG3 PRO 32 -6.109 8.789 2.575
228 HD2 PRO 32 HD2 PRO 32 -6.480 7.013 0.584
229 HD3 PRO 32 HD3 PRO 32 -5.832 8.631 0.220
230 HA PRO 33 HA PRO 33 -0.569 4.618 1.858
231 HB2 PRO 33 HB2 PRO 33 1.409 4.791 0.093
232 HB3 PRO 33 HB3 PRO 33 -0.218 4.342 -0.432
233 HG2 PRO 33 HG2 PRO 33 1.240 6.904 -0.776
234 HG3 PRO 33 HG3 PRO 33 0.010 6.162 -1.812
235 HD2 PRO 33 HD2 PRO 33 -0.359 8.204 0.154
236 HD3 PRO 33 HD3 PRO 33 -1.606 7.398 -0.814
237 H LEU 34 H LEU 34 -0.215 5.900 3.875
238 HA LEU 34 HA LEU 34 2.043 7.622 4.000
239 HB2 LEU 34 HB2 LEU 34 0.894 6.191 6.391
240 HB3 LEU 34 HB3 LEU 34 1.749 7.715 6.350
241 HG LEU 34 HG LEU 34 -1.044 7.189 5.348
242 HD11 LEU 34 HD11 LEU 34 -1.785 8.050 7.272
243 HD12 LEU 34 HD12 LEU 34 -0.542 9.301 7.305
244 HD13 LEU 34 HD13 LEU 34 -0.177 7.677 7.889
245 HD21 LEU 34 HD21 LEU 34 -1.157 9.327 4.489
246 HD22 LEU 34 HD22 LEU 34 0.474 8.842 4.028
247 HD23 LEU 34 HD23 LEU 34 0.229 9.891 5.424
248 H THR 35 H THR 35 1.611 4.203 4.985
249 HA THR 35 HA THR 35 4.477 4.002 5.369
250 HB THR 35 HB THR 35 3.030 2.885 6.987
251 HG1 THR 35 HG1 THR 35 4.231 0.882 5.395
252 HG21 THR 35 HG21 THR 35 1.106 2.389 5.560
253 HG22 THR 35 HG22 THR 35 1.685 0.959 6.413
254 HG23 THR 35 HG23 THR 35 2.061 1.179 4.704
255 H CYS 36 H CYS 36 2.566 4.124 2.749
256 HA CYS 36 HA CYS 36 4.182 2.125 1.328
257 HB2 CYS 36 HB2 CYS 36 1.277 2.571 1.316
258 HB3 CYS 36 HB3 CYS 36 2.001 2.369 -0.276
259 H GLN 37 H GLN 37 3.548 5.407 1.628
260 HA GLN 37 HA GLN 37 3.452 6.370 -0.956
261 HB2 GLN 37 HB2 GLN 37 3.935 7.456 1.604
262 HB3 GLN 37 HB3 GLN 37 5.268 7.988 0.592
263 HG2 GLN 37 HG2 GLN 37 3.403 8.631 -1.089
264 HG3 GLN 37 HG3 GLN 37 2.351 8.555 0.323
265 HE21 GLN 37 HE21 GLN 37 2.421 10.156 1.814
266 HE22 GLN 37 HE22 GLN 37 3.406 11.568 1.671
267 H ARG 38 H ARG 38 6.067 4.903 0.746
268 HA ARG 38 HA ARG 38 8.103 5.738 -1.105
269 HB2 ARG 38 HB2 ARG 38 7.965 4.023 1.316
270 HB3 ARG 38 HB3 ARG 38 9.238 3.645 0.164
271 HG2 ARG 38 HG2 ARG 38 9.806 6.152 0.286
272 HG3 ARG 38 HG3 ARG 38 8.822 6.149 1.751
273 HD2 ARG 38 HD2 ARG 38 11.039 4.176 1.330
274 HD3 ARG 38 HD3 ARG 38 11.350 5.779 1.981
275 HE ARG 38 HE ARG 38 9.910 3.605 3.294
276 HH11 ARG 38 HH11 ARG 38 10.910 6.956 3.376
277 HH12 ARG 38 HH12 ARG 38 10.627 7.123 5.074
278 HH21 ARG 38 HH21 ARG 38 9.537 3.835 5.523
279 HH22 ARG 38 HH22 ARG 38 9.847 5.355 6.292
280 H TYR 39 H TYR 39 6.046 2.920 -0.624
281 HA TYR 39 HA TYR 39 7.317 1.387 -2.667
282 HB2 TYR 39 HB2 TYR 39 5.970 0.524 -0.607
283 HB3 TYR 39 HB3 TYR 39 4.563 0.784 -1.632
284 HD1 TYR 39 HD1 TYR 39 7.912 -0.874 -1.725
285 HD2 TYR 39 HD2 TYR 39 3.846 -0.959 -2.981
286 HE1 TYR 39 HE1 TYR 39 8.295 -3.048 -2.808
287 HE2 TYR 39 HE2 TYR 39 4.218 -3.135 -4.063
288 HH TYR 39 HH TYR 39 7.235 -4.365 -4.718
289 H CYS 40 H CYS 40 4.267 3.188 -2.423
290 HA CYS 40 HA CYS 40 3.374 2.572 -5.020
291 HB2 CYS 40 HB2 CYS 40 1.835 3.520 -3.375
292 HB3 CYS 40 HB3 CYS 40 2.769 5.014 -3.326
293 H ASN 41 H ASN 41 5.503 5.112 -3.809
294 HA ASN 41 HA ASN 41 5.675 6.340 -6.377
295 HB2 ASN 41 HB2 ASN 41 6.706 8.068 -5.342
296 HB3 ASN 41 HB3 ASN 41 6.139 7.290 -3.875
297 HD21 ASN 41 HD21 ASN 41 7.843 5.210 -3.601
298 HD22 ASN 41 HD22 ASN 41 9.456 5.782 -3.368
299 H ALA 42 H ALA 42 6.973 3.602 -5.034
300 HA ALA 42 HA ALA 42 9.169 3.615 -6.992
301 HB1 ALA 42 HB1 ALA 42 9.117 2.725 -4.181
302 HB2 ALA 42 HB2 ALA 42 10.446 3.369 -5.142
303 HB3 ALA 42 HB3 ALA 42 9.971 1.679 -5.312
304 H SER 43 H SER 43 6.355 2.829 -7.257
305 HA SER 43 HA SER 43 6.841 0.180 -8.360
306 HB2 SER 43 HB2 SER 43 4.988 0.779 -6.174
307 HB3 SER 43 HB3 SER 43 4.226 -0.060 -7.521
308 HG SER 43 HG SER 43 5.255 -1.396 -5.835
309 H VAL 44 H VAL 44 4.974 3.143 -8.312
310 HA VAL 44 HA VAL 44 4.343 2.726 -11.117
311 HB VAL 44 HB VAL 44 2.216 3.691 -9.219
312 HG11 VAL 44 HG11 VAL 44 0.766 3.696 -11.038
313 HG12 VAL 44 HG12 VAL 44 1.818 2.659 -12.002
314 HG13 VAL 44 HG13 VAL 44 2.268 4.339 -11.704
315 HG21 VAL 44 HG21 VAL 44 1.153 1.559 -9.349
316 HG22 VAL 44 HG22 VAL 44 2.816 1.296 -8.828
317 HG23 VAL 44 HG23 VAL 44 2.355 0.968 -10.497
318 H THR 45 H THR 45 6.278 4.303 -10.605
319 HA THR 45 HA THR 45 5.574 6.743 -11.509
320 HB THR 45 HB THR 45 6.687 7.461 -8.948
321 HG1 THR 45 HG1 THR 45 5.462 5.640 -8.261
322 HG21 THR 45 HG21 THR 45 5.294 8.815 -10.717
323 HG22 THR 45 HG22 THR 45 5.240 9.203 -8.998
324 HG23 THR 45 HG23 THR 45 3.944 8.255 -9.729
325 H ASN 46 H ASN 46 7.886 4.786 -9.820
326 HA ASN 46 HA ASN 46 10.200 6.293 -10.180
327 HB2 ASN 46 HB2 ASN 46 9.741 4.016 -8.931
328 HB3 ASN 46 HB3 ASN 46 10.293 3.315 -10.450
329 HD21 ASN 46 HD21 ASN 46 11.291 4.072 -7.490
330 HD22 ASN 46 HD22 ASN 46 12.956 4.428 -7.791
331 H SER 47 H SER 47 10.122 7.273 -12.232
332 HA SER 47 HA SER 47 10.698 7.513 -14.414
333 HB2 SER 47 HB2 SER 47 11.901 4.783 -13.924
334 HB3 SER 47 HB3 SER 47 12.102 5.663 -15.437
335 HG SER 47 HG SER 47 12.718 7.372 -13.569
336 H VAL 48 H VAL 48 8.413 7.532 -14.891
337 HA VAL 48 HA VAL 48 7.629 6.155 -17.103
338 HB VAL 48 HB VAL 48 5.700 4.809 -15.919
339 HG11 VAL 48 HG11 VAL 48 7.385 2.765 -16.014
340 HG12 VAL 48 HG12 VAL 48 8.396 3.965 -16.815
341 HG13 VAL 48 HG13 VAL 48 6.811 3.576 -17.472
342 HG21 VAL 48 HG21 VAL 48 7.962 4.249 -14.020
343 HG22 VAL 48 HG22 VAL 48 6.289 3.706 -13.918
344 HG23 VAL 48 HG23 VAL 48 6.682 5.405 -13.654
345 H LYS 49 H LYS 49 6.699 7.985 -17.673
346 HA LYS 49 HA LYS 49 5.314 9.822 -16.323
347 HB2 LYS 49 HB2 LYS 49 5.908 9.507 -18.920
348 HB3 LYS 49 HB3 LYS 49 4.176 9.201 -18.983
349 HG2 LYS 49 HG2 LYS 49 3.925 11.400 -19.115
350 HG3 LYS 49 HG3 LYS 49 4.367 11.452 -17.410
351 HD2 LYS 49 HD2 LYS 49 6.676 11.863 -17.971
352 HD3 LYS 49 HD3 LYS 49 6.335 11.640 -19.689
353 HE2 LYS 49 HE2 LYS 49 5.226 13.649 -19.870
354 HE3 LYS 49 HE3 LYS 49 4.818 13.698 -18.157
355 HZ1 LYS 49 HZ1 LYS 49 7.450 13.875 -17.995
356 HZ2 LYS 49 HZ2 LYS 49 6.451 15.230 -18.164
357 HZ3 LYS 49 HZ3 LYS 49 7.235 14.588 -19.517
358 H CY1 50 HN CY1 50 3.675 7.259 -18.175
359 HA CY1 50 HA CY1 50 1.369 7.346 -16.264
360 HB2 CY1 50 HB2 CY1 50 -0.056 6.731 -18.085
361 HB3 CY1 50 HB3 CY1 50 1.299 6.552 -19.211
362 HD2 CY1 50 HD2 CY1 50 -0.358 8.552 -20.932
363 HD3 CY1 50 HD3 CY1 50 -1.040 9.942 -20.021
364 HE CY1 50 HE CY1 50 -1.695 7.075 -19.683
365 HM1 CY1 50 HM1 CY1 50 -2.966 7.081 -16.835
366 HM2 CY1 50 HM2 CY1 50 -3.309 6.391 -18.430
367 HM3 CY1 50 HM3 CY1 50 -4.402 7.605 -17.740
368 HN1 NH2 51 HN1 NH2 51 3.642 5.616 -15.761
369 HN2 NH2 51 HN2 NH2 51 3.053 3.971 -15.983
Start of MODEL 20
1 H1 LEU 1 H1 LEU 1 -8.634 -9.188 15.053
2 H2 LEU 1 H2 LEU 1 -7.238 -10.173 15.222
3 H3 LEU 1 H3 LEU 1 -7.815 -9.757 13.659
4 HA LEU 1 HA LEU 1 -7.308 -7.489 14.014
5 HB2 LEU 1 HB2 LEU 1 -7.493 -8.238 16.689
6 HB3 LEU 1 HB3 LEU 1 -5.793 -7.875 16.470
7 HG LEU 1 HG LEU 1 -7.785 -5.902 15.462
8 HD11 LEU 1 HD11 LEU 1 -8.477 -6.636 17.788
9 HD12 LEU 1 HD12 LEU 1 -8.151 -4.917 17.565
10 HD13 LEU 1 HD13 LEU 1 -6.953 -5.947 18.347
11 HD21 LEU 1 HD21 LEU 1 -5.603 -5.275 14.987
12 HD22 LEU 1 HD22 LEU 1 -4.987 -5.883 16.524
13 HD23 LEU 1 HD23 LEU 1 -5.946 -4.402 16.481
14 H GLN 2 H GLN 2 -5.483 -6.915 12.984
15 HA GLN 2 HA GLN 2 -3.434 -7.049 12.009
16 HB2 GLN 2 HB2 GLN 2 -2.929 -8.444 14.617
17 HB3 GLN 2 HB3 GLN 2 -1.671 -8.375 13.391
18 HG2 GLN 2 HG2 GLN 2 -2.940 -5.802 13.969
19 HG3 GLN 2 HG3 GLN 2 -2.071 -6.517 15.326
20 HE21 GLN 2 HE21 GLN 2 -1.785 -5.424 12.008
21 HE22 GLN 2 HE22 GLN 2 -0.076 -5.173 12.037
22 H MET 3 H MET 3 -2.587 -8.225 10.397
23 HA MET 3 HA MET 3 -1.920 -10.053 9.172
24 HB2 MET 3 HB2 MET 3 -1.834 -11.325 11.380
25 HB3 MET 3 HB3 MET 3 -3.464 -11.871 11.011
26 HG2 MET 3 HG2 MET 3 -1.795 -13.523 10.376
27 HG3 MET 3 HG3 MET 3 -2.683 -12.926 8.976
28 HE1 MET 3 HE1 MET 3 1.100 -13.904 8.168
29 HE2 MET 3 HE2 MET 3 -0.332 -13.792 7.145
30 HE3 MET 3 HE3 MET 3 -0.427 -14.599 8.711
31 H ALA 4 H ALA 4 -5.229 -9.724 10.281
32 HA ALA 4 HA ALA 4 -7.223 -10.430 9.287
33 HB1 ALA 4 HB1 ALA 4 -7.611 -8.432 8.409
34 HB2 ALA 4 HB2 ALA 4 -7.013 -9.067 6.877
35 HB3 ALA 4 HB3 ALA 4 -5.918 -8.226 7.970
36 H GLY 5 H GLY 5 -6.936 -12.680 8.903
37 HA2 GLY 5 HA2 GLY 5 -7.111 -14.533 7.491
38 HA3 GLY 5 HA3 GLY 5 -7.169 -13.413 6.135
39 H GLN 6 H GLN 6 -4.806 -12.244 5.921
40 HA GLN 6 HA GLN 6 -2.442 -13.341 6.538
41 HB2 GLN 6 HB2 GLN 6 -3.918 -15.172 4.792
42 HB3 GLN 6 HB3 GLN 6 -2.330 -14.757 4.163
43 HG2 GLN 6 HG2 GLN 6 -1.835 -15.298 6.816
44 HG3 GLN 6 HG3 GLN 6 -3.071 -16.477 6.381
45 HE21 GLN 6 HE21 GLN 6 0.170 -15.381 5.829
46 HE22 GLN 6 HE22 GLN 6 0.702 -16.755 4.929
47 H CYS 7 H CYS 7 -2.421 -11.039 6.124
48 HA CYS 7 HA CYS 7 -2.480 -10.054 3.448
49 HB2 CYS 7 HB2 CYS 7 -1.162 -8.077 4.715
50 HB3 CYS 7 HB3 CYS 7 -2.912 -8.273 4.787
51 H SER 8 H SER 8 -0.925 -9.959 1.974
52 HA SER 8 HA SER 8 1.592 -11.188 2.391
53 HB2 SER 8 HB2 SER 8 0.759 -9.309 0.161
54 HB3 SER 8 HB3 SER 8 2.142 -10.401 0.136
55 HG SER 8 HG SER 8 0.491 -12.105 0.485
56 H GLN 9 H GLN 9 3.656 -10.204 2.487
57 HA GLN 9 HA GLN 9 4.053 -8.263 4.300
58 HB2 GLN 9 HB2 GLN 9 5.675 -9.667 2.504
59 HB3 GLN 9 HB3 GLN 9 6.064 -7.974 2.234
60 HG2 GLN 9 HG2 GLN 9 7.448 -8.142 3.953
61 HG3 GLN 9 HG3 GLN 9 6.020 -8.201 4.984
62 HE21 GLN 9 HE21 GLN 9 8.707 -9.903 3.762
63 HE22 GLN 9 HE22 GLN 9 8.401 -11.415 4.541
64 H ASN 10 H ASN 10 4.250 -6.163 4.491
65 HA ASN 10 HA ASN 10 4.070 -3.963 4.097
66 HB2 ASN 10 HB2 ASN 10 5.629 -4.467 2.168
67 HB3 ASN 10 HB3 ASN 10 4.199 -4.515 1.138
68 HD21 ASN 10 HD21 ASN 10 5.529 -2.430 3.689
69 HD22 ASN 10 HD22 ASN 10 5.247 -0.944 2.854
70 H GLU 11 H GLU 11 1.729 -5.694 4.214
71 HA GLU 11 HA GLU 11 -0.159 -4.360 2.459
72 HB2 GLU 11 HB2 GLU 11 -0.119 -6.809 3.833
73 HB3 GLU 11 HB3 GLU 11 -1.411 -5.868 4.558
74 HG2 GLU 11 HG2 GLU 11 -2.718 -6.489 2.891
75 HG3 GLU 11 HG3 GLU 11 -1.710 -5.541 1.814
76 H TYR 12 H TYR 12 -1.956 -3.077 3.174
77 HA TYR 12 HA TYR 12 -1.176 -1.622 5.629
78 HB2 TYR 12 HB2 TYR 12 -2.102 0.341 4.809
79 HB3 TYR 12 HB3 TYR 12 -1.288 -0.368 3.425
80 HD1 TYR 12 HD1 TYR 12 -4.596 0.227 4.965
81 HD2 TYR 12 HD2 TYR 12 -2.493 -0.880 1.440
82 HE1 TYR 12 HE1 TYR 12 -6.656 0.486 3.657
83 HE2 TYR 12 HE2 TYR 12 -4.553 -0.636 0.126
84 HH TYR 12 HH TYR 12 -7.127 1.006 1.033
85 H PHE 13 H PHE 13 -2.238 -1.950 7.343
86 HA PHE 13 HA PHE 13 -4.816 -3.274 7.336
87 HB2 PHE 13 HB2 PHE 13 -2.953 -3.893 8.897
88 HB3 PHE 13 HB3 PHE 13 -3.148 -2.332 9.680
89 HD1 PHE 13 HD1 PHE 13 -5.240 -1.829 10.916
90 HD2 PHE 13 HD2 PHE 13 -4.397 -5.713 9.384
91 HE1 PHE 13 HE1 PHE 13 -6.926 -2.789 12.427
92 HE2 PHE 13 HE2 PHE 13 -6.081 -6.672 10.897
93 HZ PHE 13 HZ PHE 13 -7.348 -5.214 12.416
94 H ASP 14 H ASP 14 -6.209 -1.704 6.528
95 HA ASP 14 HA ASP 14 -6.399 0.939 7.562
96 HB2 ASP 14 HB2 ASP 14 -7.753 -0.621 5.574
97 HB3 ASP 14 HB3 ASP 14 -8.948 0.149 6.604
98 H SER 15 H SER 15 -6.729 1.254 9.663
99 HA SER 15 HA SER 15 -7.990 -0.419 11.454
100 HB2 SER 15 HB2 SER 15 -8.429 1.744 12.784
101 HB3 SER 15 HB3 SER 15 -6.754 1.367 12.383
102 HG SER 15 HG SER 15 -8.345 3.011 10.727
103 H LEU 16 H LEU 16 -9.374 1.615 9.046
104 HA LEU 16 HA LEU 16 -12.011 1.676 10.226
105 HB2 LEU 16 HB2 LEU 16 -10.827 3.329 8.521
106 HB3 LEU 16 HB3 LEU 16 -11.532 2.244 7.339
107 HG LEU 16 HG LEU 16 -12.904 4.266 7.824
108 HD11 LEU 16 HD11 LEU 16 -14.777 2.291 8.733
109 HD12 LEU 16 HD12 LEU 16 -13.704 1.601 7.515
110 HD13 LEU 16 HD13 LEU 16 -14.632 3.055 7.150
111 HD21 LEU 16 HD21 LEU 16 -13.481 2.958 10.472
112 HD22 LEU 16 HD22 LEU 16 -14.032 4.529 9.891
113 HD23 LEU 16 HD23 LEU 16 -12.329 4.280 10.277
114 H LEU 17 H LEU 17 -10.237 -0.238 7.924
115 HA LEU 17 HA LEU 17 -12.614 -1.781 7.201
116 HB2 LEU 17 HB2 LEU 17 -9.796 -1.920 6.139
117 HB3 LEU 17 HB3 LEU 17 -11.178 -2.788 5.496
118 HG LEU 17 HG LEU 17 -10.985 0.221 5.557
119 HD11 LEU 17 HD11 LEU 17 -10.679 -1.313 3.036
120 HD12 LEU 17 HD12 LEU 17 -9.290 -1.220 4.119
121 HD13 LEU 17 HD13 LEU 17 -10.023 0.258 3.496
122 HD21 LEU 17 HD21 LEU 17 -13.198 -0.110 5.229
123 HD22 LEU 17 HD22 LEU 17 -12.975 -1.755 4.632
124 HD23 LEU 17 HD23 LEU 17 -12.676 -0.381 3.567
125 H HIS 18 H HIS 18 -9.809 -1.965 9.221
126 HA HIS 18 HA HIS 18 -8.982 -3.603 10.577
127 HB2 HIS 18 HB2 HIS 18 -11.840 -4.050 10.419
128 HB3 HIS 18 HB3 HIS 18 -10.975 -5.559 10.665
129 HD1 HIS 18 HD1 HIS 18 -10.514 -6.107 13.028
130 HD2 HIS 18 HD2 HIS 18 -10.984 -2.018 12.454
131 HE1 HIS 18 HE1 HIS 18 -10.380 -5.087 15.322
132 HE2 HIS 18 HE2 HIS 18 -10.610 -2.607 14.945
133 H ALA 19 H ALA 19 -8.380 -3.734 7.850
134 HA ALA 19 HA ALA 19 -7.709 -6.531 7.587
135 HB1 ALA 19 HB1 ALA 19 -9.868 -5.444 6.154
136 HB2 ALA 19 HB2 ALA 19 -9.101 -7.018 5.933
137 HB3 ALA 19 HB3 ALA 19 -8.532 -5.621 5.010
138 H CYS 20 H CYS 20 -5.636 -6.562 7.174
139 HA CYS 20 HA CYS 20 -4.269 -4.295 6.139
140 HB2 CYS 20 HB2 CYS 20 -2.370 -6.193 5.914
141 HB3 CYS 20 HB3 CYS 20 -2.723 -5.372 7.422
142 H ILE 21 H ILE 21 -4.529 -3.698 4.150
143 HA ILE 21 HA ILE 21 -4.792 -5.702 2.005
144 HB ILE 21 HB ILE 21 -5.681 -2.834 2.068
145 HG12 ILE 21 HG12 ILE 21 -7.613 -5.117 2.095
146 HG13 ILE 21 HG13 ILE 21 -6.809 -4.688 3.601
147 HG21 ILE 21 HG21 ILE 21 -6.360 -5.027 0.108
148 HG22 ILE 21 HG22 ILE 21 -5.257 -3.679 -0.190
149 HG23 ILE 21 HG23 ILE 21 -6.973 -3.376 0.071
150 HD11 ILE 21 HD11 ILE 21 -7.663 -2.261 2.701
151 HD12 ILE 21 HD12 ILE 21 -8.507 -3.276 3.870
152 HD13 ILE 21 HD13 ILE 21 -8.953 -3.338 2.164
153 HA PRO 22 HA PRO 22 -1.033 -4.182 0.174
154 HB2 PRO 22 HB2 PRO 22 -2.219 -4.788 -2.458
155 HB3 PRO 22 HB3 PRO 22 -0.771 -5.458 -1.700
156 HG2 PRO 22 HG2 PRO 22 -2.993 -6.920 -1.963
157 HG3 PRO 22 HG3 PRO 22 -1.961 -7.057 -0.524
158 HD2 PRO 22 HD2 PRO 22 -4.544 -5.560 -0.864
159 HD3 PRO 22 HD3 PRO 22 -4.011 -6.575 0.493
160 H CYS 23 H CYS 23 -0.375 -2.215 -0.321
161 HA CYS 23 HA CYS 23 -2.278 -0.186 -1.053
162 HB2 CYS 23 HB2 CYS 23 0.665 0.345 -1.073
163 HB3 CYS 23 HB3 CYS 23 -0.654 1.368 -0.521
164 H GLN 24 H GLN 24 -0.010 -2.181 -2.727
165 HA GLN 24 HA GLN 24 0.715 -0.772 -4.937
166 HB2 GLN 24 HB2 GLN 24 1.455 -3.040 -4.597
167 HB3 GLN 24 HB3 GLN 24 -0.187 -3.643 -4.778
168 HG2 GLN 24 HG2 GLN 24 -0.206 -3.240 -7.077
169 HG3 GLN 24 HG3 GLN 24 1.197 -2.176 -6.993
170 HE21 GLN 24 HE21 GLN 24 0.091 -5.341 -7.466
171 HE22 GLN 24 HE22 GLN 24 1.628 -6.125 -7.563
172 H LEU 25 H LEU 25 -2.301 -2.547 -4.575
173 HA LEU 25 HA LEU 25 -3.381 -1.761 -7.058
174 HB2 LEU 25 HB2 LEU 25 -4.053 -3.753 -5.645
175 HB3 LEU 25 HB3 LEU 25 -4.959 -2.629 -4.650
176 HG LEU 25 HG LEU 25 -5.644 -2.289 -7.437
177 HD11 LEU 25 HD11 LEU 25 -4.960 -4.866 -7.027
178 HD12 LEU 25 HD12 LEU 25 -6.216 -4.343 -8.149
179 HD13 LEU 25 HD13 LEU 25 -6.653 -4.899 -6.534
180 HD21 LEU 25 HD21 LEU 25 -7.116 -1.443 -5.834
181 HD22 LEU 25 HD22 LEU 25 -7.083 -2.929 -4.884
182 HD23 LEU 25 HD23 LEU 25 -7.924 -2.891 -6.435
183 H ARG 26 H ARG 26 -2.784 0.099 -4.399
184 HA ARG 26 HA ARG 26 -4.954 1.945 -5.084
185 HB2 ARG 26 HB2 ARG 26 -4.891 0.817 -2.698
186 HB3 ARG 26 HB3 ARG 26 -3.694 2.070 -2.388
187 HG2 ARG 26 HG2 ARG 26 -5.787 2.884 -1.645
188 HG3 ARG 26 HG3 ARG 26 -5.391 3.749 -3.132
189 HD2 ARG 26 HD2 ARG 26 -6.758 1.645 -4.127
190 HD3 ARG 26 HD3 ARG 26 -7.548 1.824 -2.568
191 HE ARG 26 HE ARG 26 -7.465 3.846 -4.705
192 HH11 ARG 26 HH11 ARG 26 -8.758 2.748 -1.644
193 HH12 ARG 26 HH12 ARG 26 -10.042 3.907 -1.636
194 HH21 ARG 26 HH21 ARG 26 -9.148 5.367 -4.684
195 HH22 ARG 26 HH22 ARG 26 -10.264 5.394 -3.358
196 H CYS 27 H CYS 27 -1.784 1.498 -5.353
197 HA CYS 27 HA CYS 27 -0.770 4.084 -4.685
198 HB2 CYS 27 HB2 CYS 27 0.436 1.899 -6.393
199 HB3 CYS 27 HB3 CYS 27 1.284 3.338 -5.840
200 H SER 28 H SER 28 -1.887 2.500 -7.621
201 HA SER 28 HA SER 28 -1.144 4.651 -9.270
202 HB2 SER 28 HB2 SER 28 -2.731 2.171 -9.865
203 HB3 SER 28 HB3 SER 28 -2.237 3.345 -11.084
204 HG SER 28 HG SER 28 -0.768 1.406 -9.804
205 H SER 29 H SER 29 -3.393 4.786 -7.099
206 HA SER 29 HA SER 29 -4.944 6.710 -8.504
207 HB2 SER 29 HB2 SER 29 -6.266 4.098 -7.781
208 HB3 SER 29 HB3 SER 29 -7.140 5.575 -8.189
209 HG SER 29 HG SER 29 -6.030 5.519 -10.227
210 H ASN 30 H ASN 30 -5.997 8.063 -7.178
211 HA ASN 30 HA ASN 30 -6.757 9.074 -5.281
212 HB2 ASN 30 HB2 ASN 30 -7.564 6.565 -4.886
213 HB3 ASN 30 HB3 ASN 30 -6.382 6.659 -3.586
214 HD21 ASN 30 HD21 ASN 30 -8.867 8.776 -4.982
215 HD22 ASN 30 HD22 ASN 30 -9.584 9.212 -3.472
216 H THR 31 H THR 31 -3.756 7.658 -5.608
217 HA THR 31 HA THR 31 -1.819 7.651 -4.332
218 HB THR 31 HB THR 31 -1.723 9.528 -5.876
219 HG1 THR 31 HG1 THR 31 0.080 9.414 -4.658
220 HG21 THR 31 HG21 THR 31 -2.120 11.737 -4.170
221 HG22 THR 31 HG22 THR 31 -3.577 10.745 -4.104
222 HG23 THR 31 HG23 THR 31 -2.977 11.329 -5.657
223 HA PRO 32 HA PRO 32 -3.217 8.830 -0.082
224 HB2 PRO 32 HB2 PRO 32 -4.877 6.930 0.673
225 HB3 PRO 32 HB3 PRO 32 -5.404 8.109 -0.537
226 HG2 PRO 32 HG2 PRO 32 -4.694 5.251 -0.872
227 HG3 PRO 32 HG3 PRO 32 -5.767 6.269 -1.852
228 HD2 PRO 32 HD2 PRO 32 -2.908 5.679 -2.305
229 HD3 PRO 32 HD3 PRO 32 -4.031 6.548 -3.376
230 HA PRO 33 HA PRO 33 -0.683 4.885 0.994
231 HB2 PRO 33 HB2 PRO 33 1.655 4.931 -0.217
232 HB3 PRO 33 HB3 PRO 33 0.208 4.435 -1.106
233 HG2 PRO 33 HG2 PRO 33 1.590 7.099 -1.095
234 HG3 PRO 33 HG3 PRO 33 1.026 6.148 -2.482
235 HD2 PRO 33 HD2 PRO 33 -0.401 8.208 -1.359
236 HD3 PRO 33 HD3 PRO 33 -1.131 6.853 -2.244
237 H LEU 34 H LEU 34 -0.802 6.264 2.946
238 HA LEU 34 HA LEU 34 1.411 8.008 3.449
239 HB2 LEU 34 HB2 LEU 34 -0.349 6.871 5.613
240 HB3 LEU 34 HB3 LEU 34 0.533 8.382 5.611
241 HG LEU 34 HG LEU 34 -1.932 7.741 3.995
242 HD11 LEU 34 HD11 LEU 34 -2.044 10.066 5.686
243 HD12 LEU 34 HD12 LEU 34 -1.634 8.631 6.625
244 HD13 LEU 34 HD13 LEU 34 -3.099 8.655 5.645
245 HD21 LEU 34 HD21 LEU 34 -1.782 9.824 2.966
246 HD22 LEU 34 HD22 LEU 34 -0.128 9.217 2.902
247 HD23 LEU 34 HD23 LEU 34 -0.582 10.413 4.115
248 H THR 35 H THR 35 0.591 4.714 4.626
249 HA THR 35 HA THR 35 3.261 4.491 5.726
250 HB THR 35 HB THR 35 1.343 3.580 6.988
251 HG1 THR 35 HG1 THR 35 2.808 1.339 6.153
252 HG21 THR 35 HG21 THR 35 0.078 2.843 4.899
253 HG22 THR 35 HG22 THR 35 0.040 1.778 6.303
254 HG23 THR 35 HG23 THR 35 1.101 1.408 4.944
255 H CYS 36 H CYS 36 2.070 4.392 2.709
256 HA CYS 36 HA CYS 36 3.956 2.289 1.901
257 HB2 CYS 36 HB2 CYS 36 1.101 2.591 1.223
258 HB3 CYS 36 HB3 CYS 36 2.166 2.178 -0.116
259 H GLN 37 H GLN 37 3.400 5.517 1.784
260 HA GLN 37 HA GLN 37 3.549 6.385 -0.781
261 HB2 GLN 37 HB2 GLN 37 5.200 8.186 0.173
262 HB3 GLN 37 HB3 GLN 37 3.553 8.126 0.790
263 HG2 GLN 37 HG2 GLN 37 4.727 6.491 2.551
264 HG3 GLN 37 HG3 GLN 37 6.113 7.488 2.118
265 HE21 GLN 37 HE21 GLN 37 6.115 8.294 4.261
266 HE22 GLN 37 HE22 GLN 37 4.992 9.511 4.751
267 H ARG 38 H ARG 38 6.313 5.356 1.139
268 HA ARG 38 HA ARG 38 8.251 5.692 -0.864
269 HB2 ARG 38 HB2 ARG 38 8.085 4.279 1.723
270 HB3 ARG 38 HB3 ARG 38 9.277 3.644 0.598
271 HG2 ARG 38 HG2 ARG 38 10.512 5.183 1.768
272 HG3 ARG 38 HG3 ARG 38 9.996 6.133 0.373
273 HD2 ARG 38 HD2 ARG 38 8.227 6.121 2.746
274 HD3 ARG 38 HD3 ARG 38 9.747 6.989 2.887
275 HE ARG 38 HE ARG 38 7.645 7.570 0.897
276 HH11 ARG 38 HH11 ARG 38 10.428 8.579 2.761
277 HH12 ARG 38 HH12 ARG 38 10.309 10.232 2.264
278 HH21 ARG 38 HH21 ARG 38 7.497 9.744 0.251
279 HH22 ARG 38 HH22 ARG 38 8.649 10.893 0.843
280 H TYR 39 H TYR 39 6.398 2.817 0.109
281 HA TYR 39 HA TYR 39 7.499 1.068 -1.772
282 HB2 TYR 39 HB2 TYR 39 6.126 0.422 0.241
283 HB3 TYR 39 HB3 TYR 39 4.695 0.905 -0.665
284 HD1 TYR 39 HD1 TYR 39 4.344 -0.245 -2.964
285 HD2 TYR 39 HD2 TYR 39 6.923 -1.755 0.064
286 HE1 TYR 39 HE1 TYR 39 4.251 -2.471 -4.003
287 HE2 TYR 39 HE2 TYR 39 6.840 -3.985 -0.969
288 HH TYR 39 HH TYR 39 5.114 -4.547 -4.009
289 H CYS 40 H CYS 40 4.596 3.107 -1.956
290 HA CYS 40 HA CYS 40 3.761 2.189 -4.488
291 HB2 CYS 40 HB2 CYS 40 3.331 4.845 -3.109
292 HB3 CYS 40 HB3 CYS 40 2.580 4.424 -4.645
293 H ASN 41 H ASN 41 6.189 4.479 -3.501
294 HA ASN 41 HA ASN 41 6.598 5.585 -6.074
295 HB2 ASN 41 HB2 ASN 41 7.752 7.060 -4.839
296 HB3 ASN 41 HB3 ASN 41 7.629 6.003 -3.439
297 HD21 ASN 41 HD21 ASN 41 9.226 4.127 -3.499
298 HD22 ASN 41 HD22 ASN 41 10.841 4.522 -3.964
299 H ALA 42 H ALA 42 7.418 2.688 -4.574
300 HA ALA 42 HA ALA 42 9.501 2.101 -6.537
301 HB1 ALA 42 HB1 ALA 42 9.981 1.630 -4.141
302 HB2 ALA 42 HB2 ALA 42 10.111 0.211 -5.179
303 HB3 ALA 42 HB3 ALA 42 8.687 0.432 -4.164
304 H SER 43 H SER 43 6.556 2.255 -6.937
305 HA SER 43 HA SER 43 6.099 -0.437 -7.996
306 HB2 SER 43 HB2 SER 43 4.183 1.661 -7.001
307 HB3 SER 43 HB3 SER 43 3.646 0.353 -8.055
308 HG SER 43 HG SER 43 3.402 -0.185 -5.851
309 H VAL 44 H VAL 44 6.480 2.896 -8.748
310 HA VAL 44 HA VAL 44 6.837 3.917 -10.765
311 HB VAL 44 HB VAL 44 5.998 1.372 -12.149
312 HG11 VAL 44 HG11 VAL 44 7.920 3.420 -13.178
313 HG12 VAL 44 HG12 VAL 44 6.180 3.654 -13.346
314 HG13 VAL 44 HG13 VAL 44 6.953 2.245 -14.070
315 HG21 VAL 44 HG21 VAL 44 8.138 0.522 -12.028
316 HG22 VAL 44 HG22 VAL 44 7.967 1.254 -10.433
317 HG23 VAL 44 HG23 VAL 44 8.860 2.097 -11.698
318 H THR 45 H THR 45 4.798 4.857 -9.739
319 HA THR 45 HA THR 45 2.613 5.525 -9.835
320 HB THR 45 HB THR 45 3.622 7.027 -11.388
321 HG1 THR 45 HG1 THR 45 1.424 7.216 -11.430
322 HG21 THR 45 HG21 THR 45 3.508 4.767 -13.324
323 HG22 THR 45 HG22 THR 45 4.815 5.905 -12.994
324 HG23 THR 45 HG23 THR 45 3.400 6.426 -13.907
325 H ASN 46 H ASN 46 1.541 4.958 -12.906
326 HA ASN 46 HA ASN 46 -0.525 3.283 -12.212
327 HB2 ASN 46 HB2 ASN 46 -0.793 2.851 -14.627
328 HB3 ASN 46 HB3 ASN 46 -0.511 4.556 -14.288
329 HD21 ASN 46 HD21 ASN 46 0.761 1.663 -15.696
330 HD22 ASN 46 HD22 ASN 46 2.108 2.394 -16.494
331 H SER 47 H SER 47 -0.800 1.119 -13.638
332 HA SER 47 HA SER 47 0.817 -0.736 -14.311
333 HB2 SER 47 HB2 SER 47 2.404 -0.565 -12.549
334 HB3 SER 47 HB3 SER 47 1.139 -0.517 -11.320
335 HG SER 47 HG SER 47 2.003 -2.717 -12.870
336 H VAL 48 H VAL 48 -0.556 -2.221 -14.986
337 HA VAL 48 HA VAL 48 -2.179 -3.804 -13.406
338 HB VAL 48 HB VAL 48 -4.402 -2.947 -14.453
339 HG11 VAL 48 HG11 VAL 48 -3.355 -2.941 -11.948
340 HG12 VAL 48 HG12 VAL 48 -5.010 -2.480 -12.351
341 HG13 VAL 48 HG13 VAL 48 -3.771 -1.239 -12.161
342 HG21 VAL 48 HG21 VAL 48 -4.119 -1.039 -15.610
343 HG22 VAL 48 HG22 VAL 48 -2.615 -0.638 -14.782
344 HG23 VAL 48 HG23 VAL 48 -4.163 -0.273 -14.023
345 H LYS 49 H LYS 49 -1.532 -5.377 -14.677
346 HA LYS 49 HA LYS 49 -2.913 -6.225 -16.822
347 HB2 LYS 49 HB2 LYS 49 -1.735 -4.205 -17.917
348 HB3 LYS 49 HB3 LYS 49 -0.287 -5.197 -17.861
349 HG2 LYS 49 HG2 LYS 49 -1.374 -6.890 -19.224
350 HG3 LYS 49 HG3 LYS 49 -2.854 -5.930 -19.253
351 HD2 LYS 49 HD2 LYS 49 -1.885 -4.267 -20.583
352 HD3 LYS 49 HD3 LYS 49 -0.245 -4.803 -20.215
353 HE2 LYS 49 HE2 LYS 49 -0.507 -6.759 -21.559
354 HE3 LYS 49 HE3 LYS 49 -2.233 -6.458 -21.758
355 HZ1 LYS 49 HZ1 LYS 49 -1.743 -5.341 -23.588
356 HZ2 LYS 49 HZ2 LYS 49 -0.082 -5.506 -23.316
357 HZ3 LYS 49 HZ3 LYS 49 -0.919 -4.190 -22.662
358 H CY1 50 H CY1 50 -2.641 -8.349 -16.774
359 HA CY1 50 HA CY1 50 -0.246 -9.444 -15.543
360 HB2 CY1 50 HB2 CY1 50 -2.780 -10.146 -15.192
361 HB3 CY1 50 HB3 CY1 50 -2.442 -11.181 -16.576
362 HD2 CY1 50 HD2 CY1 50 -2.349 -13.513 -13.444
363 HD3 CY1 50 HD3 CY1 50 -2.381 -11.495 -13.408
364 HE CY1 50 HE CY1 50 -3.720 -12.737 -15.498
365 HM1 CY1 50 HM1 CY1 50 -5.723 -12.578 -16.088
366 HM2 CY1 50 HM2 CY1 50 -6.442 -11.058 -15.461
367 HM3 CY1 50 HM3 CY1 50 -6.900 -12.613 -14.790
368 HN1 NH2 51 HN1 NH2 51 -1.755 -9.254 -18.686
369 HN2 NH2 51 HN2 NH2 51 -0.540 -10.134 -19.542
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