Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
604703 | 5im8 RC | 30031 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H LEU 1 H LEU 1 1.807 0.000 0.855
2 HA LEU 1 HA LEU 1 2.375 -1.020 -1.457
3 HB2 LEU 1 2HB LEU 1 0.521 1.226 -1.977
4 HB3 LEU 1 3HB LEU 1 1.891 1.059 -3.074
5 HG LEU 1 HG LEU 1 0.005 -1.215 -2.512
6 HD11 LEU 1 1HD1 LEU 1 -1.579 0.050 -3.478
7 HD12 LEU 1 2HD1 LEU 1 -0.719 -0.338 -4.968
8 HD13 LEU 1 3HD1 LEU 1 -0.411 1.191 -4.145
9 HD21 LEU 1 1HD2 LEU 1 2.220 -0.648 -4.410
10 HD22 LEU 1 2HD2 LEU 1 0.865 -1.624 -4.979
11 HD23 LEU 1 3HD2 LEU 1 1.797 -2.143 -3.574
12 H LYS 2 H LYS 2 4.294 -0.668 -0.183
13 HA LYS 2 HA LYS 2 5.450 2.002 -0.225
14 HB2 LYS 2 2HB LYS 2 5.784 -0.379 1.364
15 HB3 LYS 2 3HB LYS 2 7.341 0.155 0.746
16 HG2 LYS 2 2HG LYS 2 6.162 2.489 1.627
17 HG3 LYS 2 3HG LYS 2 5.679 1.290 2.831
18 HD2 LYS 2 2HD LYS 2 7.800 0.991 3.576
19 HD3 LYS 2 3HD LYS 2 8.509 1.228 1.977
20 HE2 LYS 2 2HE LYS 2 9.187 3.054 3.361
21 HE3 LYS 2 3HE LYS 2 8.008 3.663 2.200
22 HZ1 LYS 2 1HZ LYS 2 7.484 4.556 4.323
23 HZ2 LYS 2 2HZ LYS 2 7.544 3.035 5.062
24 HZ3 LYS 2 3HZ LYS 2 6.304 3.396 3.970
25 H GLU 3 H GLU 3 6.221 2.567 -2.175
26 HA GLU 3 HA GLU 3 8.028 0.671 -3.525
27 HB2 GLU 3 2HB GLU 3 5.703 1.710 -4.552
28 HB3 GLU 3 3HB GLU 3 6.913 2.818 -5.184
29 HG2 GLU 3 2HG GLU 3 7.874 1.243 -6.507
30 HG3 GLU 3 3HG GLU 3 7.458 -0.083 -5.423
31 H ASN 4 H ASN 4 9.258 2.229 -5.321
32 HA ASN 4 HA ASN 4 10.828 4.018 -3.624
33 HB2 ASN 4 2HB ASN 4 11.744 2.112 -5.201
34 HB3 ASN 4 3HB ASN 4 11.596 3.357 -6.439
35 HD21 ASN 4 1HD2 ASN 4 13.464 2.126 -3.910
36 HD22 ASN 4 2HD2 ASN 4 14.655 3.376 -3.854
37 H ASP 5 H ASP 5 8.185 4.743 -4.731
38 HA ASP 5 HA ASP 5 9.003 7.267 -5.954
39 HB2 ASP 5 2HB ASP 5 8.465 6.061 -7.917
40 HB3 ASP 5 3HB ASP 5 7.063 5.305 -7.165
41 H HIS 6 H HIS 6 5.998 5.499 -5.186
42 HA HIS 6 HA HIS 6 4.563 7.769 -4.370
43 HB2 HIS 6 2HB HIS 6 3.689 5.424 -4.975
44 HB3 HIS 6 3HB HIS 6 4.040 5.003 -3.301
45 HD1 HIS 6 HD1 HIS 6 2.060 7.673 -5.161
46 HD2 HIS 6 HD2 HIS 6 1.949 5.451 -1.652
47 HE1 HIS 6 HE1 HIS 6 -0.103 8.295 -4.040
48 H ALA 7 H ALA 7 6.486 5.435 -2.538
49 HA ALA 7 HA ALA 7 5.864 6.245 0.044
50 HB1 ALA 7 1HB ALA 7 7.789 5.106 0.753
51 HB2 ALA 7 2HB ALA 7 7.279 4.265 -0.711
52 HB3 ALA 7 3HB ALA 7 8.629 5.399 -0.770
53 H ARG 8 H ARG 8 8.501 7.405 -2.054
54 HA ARG 8 HA ARG 8 9.562 9.288 -0.286
55 HB2 ARG 8 2HB ARG 8 10.806 8.667 -2.236
56 HB3 ARG 8 3HB ARG 8 9.515 9.205 -3.302
57 HG2 ARG 8 2HG ARG 8 10.333 11.263 -3.366
58 HG3 ARG 8 3HG ARG 8 10.395 11.356 -1.605
59 HD2 ARG 8 2HD ARG 8 12.467 9.964 -3.292
60 HD3 ARG 8 3HD ARG 8 12.602 11.638 -2.754
61 HE ARG 8 HE ARG 8 12.129 9.886 -0.567
62 HH11 ARG 8 1HH1 ARG 8 15.901 10.655 -1.665
63 HH12 ARG 8 2HH1 ARG 8 14.600 10.976 -2.764
64 HH21 ARG 8 1HH2 ARG 8 15.463 9.791 0.411
65 HH22 ARG 8 2HH2 ARG 8 13.833 9.459 0.888
66 H PHE 9 H PHE 9 7.036 9.631 -2.751
67 HA PHE 9 HA PHE 9 6.629 12.385 -2.511
68 HB2 PHE 9 2HB PHE 9 5.237 10.124 -3.703
69 HB3 PHE 9 3HB PHE 9 4.118 11.329 -3.073
70 HD1 PHE 9 HD1 PHE 9 3.315 12.652 -4.760
71 HD2 PHE 9 HD2 PHE 9 7.422 11.535 -4.797
72 HE1 PHE 9 HE1 PHE 9 3.669 14.030 -6.768
73 HE2 PHE 9 HE2 PHE 9 7.783 12.911 -6.804
74 HZ PHE 9 HZ PHE 9 5.905 14.162 -7.792
75 H LEU 10 H LEU 10 5.282 9.686 -0.684
76 HA LEU 10 HA LEU 10 3.409 11.211 0.797
77 HB2 LEU 10 2HB LEU 10 4.111 8.516 0.548
78 HB3 LEU 10 3HB LEU 10 4.389 8.917 2.242
79 HG LEU 10 HG LEU 10 1.802 9.809 1.161
80 HD11 LEU 10 1HD1 LEU 10 1.432 7.863 0.082
81 HD12 LEU 10 2HD1 LEU 10 1.099 7.278 1.711
82 HD13 LEU 10 3HD1 LEU 10 2.679 6.999 0.981
83 HD21 LEU 10 1HD2 LEU 10 2.618 9.913 3.556
84 HD22 LEU 10 2HD2 LEU 10 2.424 8.161 3.599
85 HD23 LEU 10 3HD2 LEU 10 1.026 9.196 3.303
86 H GLN 11 H GLN 11 6.690 10.064 1.534
87 HA GLN 11 HA GLN 11 6.909 10.988 4.134
88 HB2 GLN 11 2HB GLN 11 8.894 10.553 1.935
89 HB3 GLN 11 3HB GLN 11 9.418 11.292 3.442
90 HG2 GLN 11 2HG GLN 11 7.837 8.932 3.936
91 HG3 GLN 11 3HG GLN 11 9.205 8.581 2.881
92 HE21 GLN 11 1HE2 GLN 11 8.390 10.250 5.894
93 HE22 GLN 11 2HE2 GLN 11 9.861 9.860 6.713
94 H THR 12 H THR 12 6.951 12.755 1.149
95 HA THR 12 HA THR 12 8.111 15.146 2.222
96 HB THR 12 HB THR 12 6.571 14.646 -0.329
97 HG1 THR 12 HG1 THR 12 9.322 15.274 -0.038
98 HG21 THR 12 1HG2 THR 12 7.666 17.148 0.860
99 HG22 THR 12 2HG2 THR 12 6.226 16.904 -0.129
100 HG23 THR 12 3HG2 THR 12 7.821 16.912 -0.880
101 H ALA 13 H ALA 13 4.811 14.367 1.101
102 HA ALA 13 HA ALA 13 3.534 16.673 1.898
103 HB1 ALA 13 1HB ALA 13 2.675 13.871 1.468
104 HB2 ALA 13 2HB ALA 13 1.559 14.938 2.322
105 HB3 ALA 13 3HB ALA 13 2.118 15.361 0.703
106 H LYS 14 H LYS 14 4.432 13.878 3.836
107 HA LYS 14 HA LYS 14 3.023 14.742 6.176
108 HB2 LYS 14 2HB LYS 14 3.747 12.348 5.541
109 HB3 LYS 14 3HB LYS 14 5.325 12.805 6.167
110 HG2 LYS 14 2HG LYS 14 3.057 13.384 7.943
111 HG3 LYS 14 3HG LYS 14 3.373 11.674 7.642
112 HD2 LYS 14 2HD LYS 14 5.670 13.449 8.304
113 HD3 LYS 14 3HD LYS 14 4.573 12.972 9.603
114 HE2 LYS 14 2HE LYS 14 5.714 10.928 7.734
115 HE3 LYS 14 3HE LYS 14 6.656 11.515 9.104
116 HZ1 LYS 14 1HZ LYS 14 3.912 10.458 9.431
117 HZ2 LYS 14 2HZ LYS 14 5.100 10.677 10.615
118 HZ3 LYS 14 3HZ LYS 14 5.269 9.447 9.467
119 H ASN 15 H ASN 15 6.424 14.767 5.150
120 HA ASN 15 HA ASN 15 7.516 15.883 7.464
121 HB2 ASN 15 2HB ASN 15 8.888 14.901 5.685
122 HB3 ASN 15 3HB ASN 15 8.434 16.210 4.598
123 HD21 ASN 15 1HD2 ASN 15 9.508 18.099 4.684
124 HD22 ASN 15 2HD2 ASN 15 10.809 18.432 5.771
125 H ILE 16 H ILE 16 5.597 17.301 4.987
126 HA ILE 16 HA ILE 16 6.423 20.010 5.407
127 HB ILE 16 HB ILE 16 3.951 18.890 4.084
128 HG12 ILE 16 2HG1 ILE 16 6.173 20.255 2.630
129 HG13 ILE 16 3HG1 ILE 16 6.425 18.599 3.171
130 HG21 ILE 16 1HG2 ILE 16 3.784 21.182 3.079
131 HG22 ILE 16 2HG2 ILE 16 3.422 21.095 4.802
132 HG23 ILE 16 3HG2 ILE 16 4.983 21.712 4.259
133 HD11 ILE 16 1HD1 ILE 16 5.268 17.822 1.458
134 HD12 ILE 16 2HD1 ILE 16 3.880 18.823 1.883
135 HD13 ILE 16 3HD1 ILE 16 5.148 19.470 0.843
136 H THR 17 H THR 17 3.453 18.220 6.243
137 HA THR 17 HA THR 17 2.493 20.326 7.936
138 HB THR 17 HB THR 17 1.377 17.596 8.250
139 HG1 THR 17 HG1 THR 17 1.142 19.093 5.832
140 HG21 THR 17 1HG2 THR 17 0.253 19.416 9.326
141 HG22 THR 17 2HG2 THR 17 -0.746 18.903 7.966
142 HG23 THR 17 3HG2 THR 17 0.240 20.359 7.837
143 H GLU 18 H GLU 18 4.694 17.776 8.331
144 HA GLU 18 HA GLU 18 4.249 17.433 11.171
145 HB2 GLU 18 2HB GLU 18 5.002 15.558 9.721
146 HB3 GLU 18 3HB GLU 18 6.514 16.412 9.450
147 HG2 GLU 18 2HG GLU 18 6.464 16.384 12.140
148 HG3 GLU 18 3HG GLU 18 5.589 14.894 11.791
149 H ARG 19 H ARG 19 6.514 19.086 9.046
150 HA ARG 19 HA ARG 19 8.321 19.870 11.103
151 HB2 ARG 19 2HB ARG 19 9.147 19.806 8.865
152 HB3 ARG 19 3HB ARG 19 7.863 20.862 8.292
153 HG2 ARG 19 2HG ARG 19 8.807 22.745 9.385
154 HG3 ARG 19 3HG ARG 19 9.955 21.734 10.266
155 HD2 ARG 19 2HD ARG 19 10.182 21.307 7.425
156 HD3 ARG 19 3HD ARG 19 10.350 23.019 7.813
157 HE ARG 19 HE ARG 19 11.921 21.416 9.552
158 HH11 ARG 19 1HH1 ARG 19 13.530 22.709 6.122
159 HH12 ARG 19 2HH1 ARG 19 11.809 22.704 6.320
160 HH21 ARG 19 1HH2 ARG 19 14.883 21.976 7.819
161 HH22 ARG 19 2HH2 ARG 19 14.189 21.417 9.303
162 H VAL 20 H VAL 20 5.447 21.283 9.673
163 HA VAL 20 HA VAL 20 5.752 23.869 10.818
164 HB VAL 20 HB VAL 20 4.312 23.555 8.892
165 HG11 VAL 20 1HG1 VAL 20 3.574 21.246 9.570
166 HG12 VAL 20 2HG1 VAL 20 2.419 22.019 10.657
167 HG13 VAL 20 3HG1 VAL 20 2.308 22.285 8.917
168 HG21 VAL 20 1HG2 VAL 20 2.828 24.405 11.375
169 HG22 VAL 20 2HG2 VAL 20 3.781 25.429 10.300
170 HG23 VAL 20 3HG2 VAL 20 2.275 24.712 9.728
171 H SER 21 H SER 21 3.942 20.973 11.774
172 HA SER 21 HA SER 21 2.618 22.030 13.988
173 HB2 SER 21 2HB SER 21 2.522 19.652 12.807
174 HB3 SER 21 3HB SER 21 3.623 19.221 14.115
175 HG SER 21 HG SER 21 1.026 20.338 14.364
176 H MET 22 H MET 22 5.766 20.380 13.823
177 HA MET 22 HA MET 22 6.391 20.480 16.538
178 HB2 MET 22 2HB MET 22 8.011 20.305 14.031
179 HB3 MET 22 3HB MET 22 8.835 20.565 15.562
180 HG2 MET 22 2HG MET 22 7.547 18.529 16.400
181 HG3 MET 22 3HG MET 22 7.180 18.221 14.704
182 HE1 MET 22 1HE MET 22 10.509 18.745 13.227
183 HE2 MET 22 2HE MET 22 10.012 17.067 13.010
184 HE3 MET 22 3HE MET 22 8.809 18.357 12.959
185 H ALA 23 H ALA 23 6.978 22.843 13.970
186 HA ALA 23 HA ALA 23 8.482 24.657 15.523
187 HB1 ALA 23 1HB ALA 23 8.575 25.897 13.651
188 HB2 ALA 23 2HB ALA 23 7.864 24.473 12.892
189 HB3 ALA 23 3HB ALA 23 6.833 25.816 13.386
190 H THR 24 H THR 24 5.072 24.866 14.483
191 HA THR 24 HA THR 24 4.358 27.093 15.968
192 HB THR 24 HB THR 24 2.359 24.894 15.698
193 HG1 THR 24 HG1 THR 24 3.069 24.636 13.695
194 HG21 THR 24 1HG2 THR 24 1.356 27.173 14.556
195 HG22 THR 24 2HG2 THR 24 2.425 27.820 15.801
196 HG23 THR 24 3HG2 THR 24 1.136 26.700 16.240
197 H ALA 25 H ALA 25 4.403 23.690 16.924
198 HA ALA 25 HA ALA 25 3.108 23.840 19.363
199 HB1 ALA 25 1HB ALA 25 4.805 21.948 19.984
200 HB2 ALA 25 2HB ALA 25 3.589 21.684 18.733
201 HB3 ALA 25 3HB ALA 25 5.249 22.070 18.281
202 H SER 26 H SER 26 6.559 24.351 18.675
203 HA SER 26 HA SER 26 7.333 24.865 21.334
204 HB2 SER 26 2HB SER 26 9.108 24.373 19.890
205 HB3 SER 26 3HB SER 26 8.539 25.494 18.653
206 HG SER 26 HG SER 26 10.258 25.934 20.668
207 H SER 27 H SER 27 6.366 27.030 18.699
208 HA SER 27 HA SER 27 6.804 29.452 20.050
209 HB2 SER 27 2HB SER 27 6.439 29.277 17.605
210 HB3 SER 27 3HB SER 27 4.749 28.870 17.903
211 HG SER 27 HG SER 27 5.357 31.174 17.457
212 H GLN 28 H GLN 28 4.456 27.045 20.523
213 HA GLN 28 HA GLN 28 2.721 26.858 21.985
214 HB2 GLN 28 2HB GLN 28 3.370 29.616 23.005
215 HB3 GLN 28 3HB GLN 28 2.602 28.289 23.867
216 HG2 GLN 28 2HG GLN 28 4.885 27.086 23.405
217 HG3 GLN 28 3HG GLN 28 5.474 28.740 23.246
218 HE21 GLN 28 1HE2 GLN 28 6.116 26.746 25.255
219 HE22 GLN 28 2HE2 GLN 28 5.690 27.437 26.780
220 H VAL 29 H VAL 29 2.044 27.566 19.480
221 HA VAL 29 HA VAL 29 -0.214 29.395 19.925
222 HB VAL 29 HB VAL 29 1.269 29.341 17.308
223 HG11 VAL 29 1HG1 VAL 29 0.038 31.270 16.779
224 HG12 VAL 29 2HG1 VAL 29 -1.126 30.186 17.543
225 HG13 VAL 29 3HG1 VAL 29 -0.439 31.529 18.456
226 HG21 VAL 29 1HG2 VAL 29 2.310 31.489 18.030
227 HG22 VAL 29 2HG2 VAL 29 1.732 31.165 19.664
228 HG23 VAL 29 3HG2 VAL 29 2.896 30.077 18.908
229 H LEU 30 H LEU 30 -0.538 26.729 20.181
230 HA LEU 30 HA LEU 30 -2.027 26.031 17.744
231 HB2 LEU 30 2HB LEU 30 -1.367 23.748 17.894
232 HB3 LEU 30 3HB LEU 30 0.090 24.741 17.905
233 HG LEU 30 HG LEU 30 -1.122 23.666 20.437
234 HD11 LEU 30 1HD1 LEU 30 -0.020 21.677 20.262
235 HD12 LEU 30 2HD1 LEU 30 1.191 22.315 19.150
236 HD13 LEU 30 3HD1 LEU 30 -0.431 21.941 18.567
237 HD21 LEU 30 1HD2 LEU 30 1.245 25.204 19.683
238 HD22 LEU 30 2HD2 LEU 30 1.594 23.818 20.717
239 HD23 LEU 30 3HD2 LEU 30 0.443 25.046 21.246
240 H ILE 31 H ILE 31 -2.651 27.164 20.493
241 HA ILE 31 HA ILE 31 -4.791 25.248 21.128
242 HB ILE 31 HB ILE 31 -4.590 25.915 23.522
243 HG12 ILE 31 2HG1 ILE 31 -1.863 26.698 23.561
244 HG13 ILE 31 3HG1 ILE 31 -2.688 27.749 22.415
245 HG21 ILE 31 1HG2 ILE 31 -3.668 23.805 22.688
246 HG22 ILE 31 2HG2 ILE 31 -2.139 24.613 22.342
247 HG23 ILE 31 3HG2 ILE 31 -2.699 24.460 24.008
248 HD11 ILE 31 1HD1 ILE 31 -3.965 28.724 24.021
249 HD12 ILE 31 2HD1 ILE 31 -3.958 27.295 25.055
250 HD13 ILE 31 3HD1 ILE 31 -2.535 28.332 24.974
251 HA PRO 32 HA PRO 32 -7.564 28.639 20.826
252 HB2 PRO 32 2HB PRO 32 -9.471 27.906 22.614
253 HB3 PRO 32 3HB PRO 32 -9.264 27.110 21.049
254 HG2 PRO 32 2HG PRO 32 -8.311 26.250 23.754
255 HG3 PRO 32 3HG PRO 32 -9.051 25.279 22.468
256 HD2 PRO 32 2HD PRO 32 -6.380 25.316 22.911
257 HD3 PRO 32 3HD PRO 32 -7.076 25.102 21.292
258 H GLU 33 H GLU 33 -8.608 30.377 22.069
259 HA GLU 33 HA GLU 33 -8.164 30.860 24.784
260 HB2 GLU 33 2HB GLU 33 -5.864 31.343 23.121
261 HB3 GLU 33 3HB GLU 33 -6.425 32.855 23.819
262 HG2 GLU 33 2HG GLU 33 -6.220 30.545 25.647
263 HG3 GLU 33 3HG GLU 33 -4.709 31.226 25.046
264 H ILE 34 H ILE 34 -7.647 33.008 21.991
265 HA ILE 34 HA ILE 34 -10.278 34.199 22.421
266 HB ILE 34 HB ILE 34 -7.733 35.825 22.428
267 HG12 ILE 34 2HG1 ILE 34 -8.932 36.533 24.693
268 HG13 ILE 34 3HG1 ILE 34 -9.631 34.924 24.548
269 HG21 ILE 34 1HG2 ILE 34 -9.344 37.075 21.241
270 HG22 ILE 34 2HG2 ILE 34 -10.631 36.619 22.356
271 HG23 ILE 34 3HG2 ILE 34 -9.355 37.717 22.884
272 HD11 ILE 34 1HD1 ILE 34 -7.767 33.984 25.279
273 HD12 ILE 34 2HD1 ILE 34 -6.791 34.853 24.094
274 HD13 ILE 34 3HD1 ILE 34 -7.171 35.603 25.644
275 H ASN 35 H ASN 35 -7.273 34.327 20.526
276 HA ASN 35 HA ASN 35 -8.815 34.200 18.074
277 HB2 ASN 35 2HB ASN 35 -8.519 36.667 18.765
278 HB3 ASN 35 3HB ASN 35 -6.824 36.442 18.344
279 HD21 ASN 35 1HD2 ASN 35 -7.136 38.051 16.732
280 HD22 ASN 35 2HD2 ASN 35 -7.872 37.646 15.222
281 H LEU 36 H LEU 36 -6.832 32.578 19.553
282 HA LEU 36 HA LEU 36 -4.478 32.651 17.844
283 HB2 LEU 36 2HB LEU 36 -4.363 32.277 20.324
284 HB3 LEU 36 3HB LEU 36 -5.122 30.709 20.054
285 HG LEU 36 HG LEU 36 -2.547 31.431 18.695
286 HD11 LEU 36 1HD1 LEU 36 -2.693 31.577 21.373
287 HD12 LEU 36 2HD1 LEU 36 -1.270 31.006 20.503
288 HD13 LEU 36 3HD1 LEU 36 -2.415 29.846 21.177
289 HD21 LEU 36 1HD2 LEU 36 -4.261 29.101 18.942
290 HD22 LEU 36 2HD2 LEU 36 -2.591 28.757 19.391
291 HD23 LEU 36 3HD2 LEU 36 -2.957 29.430 17.802
292 H ASN 37 H ASN 37 -7.269 30.601 18.496
293 HA ASN 37 HA ASN 37 -6.570 28.337 17.058
294 HB2 ASN 37 2HB ASN 37 -8.551 28.319 18.410
295 HB3 ASN 37 3HB ASN 37 -9.269 29.629 17.477
296 HD21 ASN 37 1HD2 ASN 37 -10.257 29.192 15.551
297 HD22 ASN 37 2HD2 ASN 37 -10.557 27.589 14.983
298 H ASP 38 H ASP 38 -8.236 31.259 15.904
299 HA ASP 38 HA ASP 38 -8.583 30.463 13.248
300 HB2 ASP 38 2HB ASP 38 -8.977 32.823 14.776
301 HB3 ASP 38 3HB ASP 38 -8.064 33.276 13.340
302 H THR 39 H THR 39 -5.789 31.695 14.923
303 HA THR 39 HA THR 39 -4.290 32.330 12.564
304 HB THR 39 HB THR 39 -2.615 31.774 14.853
305 HG1 THR 39 HG1 THR 39 -4.543 33.776 15.369
306 HG21 THR 39 1HG2 THR 39 -2.534 34.440 14.563
307 HG22 THR 39 2HG2 THR 39 -3.231 34.002 13.003
308 HG23 THR 39 3HG2 THR 39 -1.675 33.333 13.493
309 H PHE 40 H PHE 40 -4.098 29.702 14.966
310 HA PHE 40 HA PHE 40 -2.071 28.243 13.712
311 HB2 PHE 40 2HB PHE 40 -2.935 27.893 16.048
312 HB3 PHE 40 3HB PHE 40 -4.332 27.083 15.347
313 HD1 PHE 40 HD1 PHE 40 -0.704 26.907 14.521
314 HD2 PHE 40 HD2 PHE 40 -4.179 24.844 15.854
315 HE1 PHE 40 HE1 PHE 40 0.547 24.788 14.490
316 HE2 PHE 40 HE2 PHE 40 -2.935 22.722 15.826
317 HZ PHE 40 HZ PHE 40 -0.568 22.692 15.144
318 H ASP 41 H ASP 41 -5.591 28.049 13.373
319 HA ASP 41 HA ASP 41 -5.717 25.828 11.687
320 HB2 ASP 41 2HB ASP 41 -7.508 27.884 12.601
321 HB3 ASP 41 3HB ASP 41 -7.760 27.602 10.881
322 H THR 42 H THR 42 -5.945 29.253 10.707
323 HA THR 42 HA THR 42 -5.771 28.851 7.968
324 HB THR 42 HB THR 42 -6.135 31.043 9.448
325 HG1 THR 42 HG1 THR 42 -5.147 30.849 6.788
326 HG21 THR 42 1HG2 THR 42 -3.382 31.549 8.358
327 HG22 THR 42 2HG2 THR 42 -3.623 30.967 10.005
328 HG23 THR 42 3HG2 THR 42 -4.312 32.511 9.505
329 H PHE 43 H PHE 43 -3.295 28.726 10.382
330 HA PHE 43 HA PHE 43 -1.068 29.124 8.652
331 HB2 PHE 43 2HB PHE 43 -1.017 29.408 11.143
332 HB3 PHE 43 3HB PHE 43 -1.114 27.657 11.294
333 HD1 PHE 43 HD1 PHE 43 0.938 27.147 12.288
334 HD2 PHE 43 HD2 PHE 43 0.829 29.589 8.803
335 HE1 PHE 43 HE1 PHE 43 3.388 26.997 12.110
336 HE2 PHE 43 HE2 PHE 43 3.278 29.442 8.619
337 HZ PHE 43 HZ PHE 43 4.561 28.144 10.273
338 H ALA 44 H ALA 44 -2.188 26.160 10.296
339 HA ALA 44 HA ALA 44 -0.601 24.375 8.862
340 HB1 ALA 44 1HB ALA 44 -1.629 23.627 10.862
341 HB2 ALA 44 2HB ALA 44 -3.243 23.989 10.249
342 HB3 ALA 44 3HB ALA 44 -2.313 22.662 9.553
343 H LEU 45 H LEU 45 -3.946 25.411 8.250
344 HA LEU 45 HA LEU 45 -4.637 23.830 6.138
345 HB2 LEU 45 2HB LEU 45 -5.823 25.872 7.310
346 HB3 LEU 45 3HB LEU 45 -5.204 26.745 5.910
347 HG LEU 45 HG LEU 45 -7.426 26.152 5.390
348 HD11 LEU 45 1HD1 LEU 45 -7.188 24.721 3.468
349 HD12 LEU 45 2HD1 LEU 45 -5.678 24.063 4.098
350 HD13 LEU 45 3HD1 LEU 45 -5.764 25.754 3.604
351 HD21 LEU 45 1HD2 LEU 45 -8.323 24.537 6.649
352 HD22 LEU 45 2HD2 LEU 45 -6.773 23.729 6.885
353 HD23 LEU 45 3HD2 LEU 45 -7.710 23.430 5.421
354 H ASP 46 H ASP 46 -3.119 27.039 5.758
355 HA ASP 46 HA ASP 46 -2.671 27.017 3.060
356 HB2 ASP 46 2HB ASP 46 -1.919 28.643 5.145
357 HB3 ASP 46 3HB ASP 46 -0.369 28.048 4.557
358 H PHE 47 H PHE 47 -0.573 25.633 5.568
359 HA PHE 47 HA PHE 47 1.518 24.790 3.939
360 HB2 PHE 47 2HB PHE 47 0.581 24.248 6.637
361 HB3 PHE 47 3HB PHE 47 1.300 22.821 5.898
362 HD1 PHE 47 HD1 PHE 47 3.555 23.450 4.524
363 HD2 PHE 47 HD2 PHE 47 1.992 25.535 7.889
364 HE1 PHE 47 HE1 PHE 47 5.801 24.323 5.022
365 HE2 PHE 47 HE2 PHE 47 4.235 26.412 8.392
366 HZ PHE 47 HZ PHE 47 6.143 25.807 6.957
367 H SER 48 H SER 48 -1.368 22.975 4.963
368 HA SER 48 HA SER 48 -0.860 20.578 3.691
369 HB2 SER 48 2HB SER 48 -2.766 21.012 5.240
370 HB3 SER 48 3HB SER 48 -3.574 21.896 3.946
371 HG SER 48 HG SER 48 -4.342 19.831 3.866
372 H ARG 49 H ARG 49 -2.420 23.479 2.373
373 HA ARG 49 HA ARG 49 -3.214 22.574 -0.092
374 HB2 ARG 49 2HB ARG 49 -3.225 24.980 1.065
375 HB3 ARG 49 3HB ARG 49 -1.856 25.220 -0.013
376 HG2 ARG 49 2HG ARG 49 -4.201 24.025 -1.294
377 HG3 ARG 49 3HG ARG 49 -4.455 25.656 -0.668
378 HD2 ARG 49 2HD ARG 49 -2.217 24.817 -2.509
379 HD3 ARG 49 3HD ARG 49 -3.688 25.652 -3.008
380 HE ARG 49 HE ARG 49 -2.656 27.276 -1.100
381 HH11 ARG 49 1HH1 ARG 49 -0.260 27.144 -4.304
382 HH12 ARG 49 2HH1 ARG 49 -1.366 25.846 -4.000
383 HH21 ARG 49 1HH2 ARG 49 -0.168 28.932 -2.875
384 HH22 ARG 49 2HH2 ARG 49 -1.204 28.991 -1.490
385 H GLU 50 H GLU 50 0.023 23.629 0.883
386 HA GLU 50 HA GLU 50 1.184 23.358 -1.696
387 HB2 GLU 50 2HB GLU 50 2.009 24.249 0.861
388 HB3 GLU 50 3HB GLU 50 3.127 22.981 0.380
389 HG2 GLU 50 2HG GLU 50 2.481 25.030 -1.648
390 HG3 GLU 50 3HG GLU 50 3.461 25.539 -0.273
391 H LYS 51 H LYS 51 0.737 21.190 1.023
392 HA LYS 51 HA LYS 51 2.493 19.146 0.241
393 HB2 LYS 51 2HB LYS 51 1.771 18.780 2.376
394 HB3 LYS 51 3HB LYS 51 0.148 19.369 2.043
395 HG2 LYS 51 2HG LYS 51 0.830 16.867 0.683
396 HG3 LYS 51 3HG LYS 51 0.808 16.769 2.445
397 HD2 LYS 51 2HD LYS 51 -1.435 17.207 2.577
398 HD3 LYS 51 3HD LYS 51 -1.447 18.156 1.089
399 HE2 LYS 51 2HE LYS 51 -2.635 15.961 0.938
400 HE3 LYS 51 3HE LYS 51 -1.357 16.189 -0.254
401 HZ1 LYS 51 1HZ LYS 51 -1.622 14.034 1.352
402 HZ2 LYS 51 2HZ LYS 51 -0.461 14.943 2.180
403 HZ3 LYS 51 3HZ LYS 51 -0.192 14.492 0.572
404 H LYS 52 H LYS 52 -0.975 19.582 -0.414
405 HA LYS 52 HA LYS 52 -1.380 17.248 -1.889
406 HB2 LYS 52 2HB LYS 52 -3.253 18.560 -1.128
407 HB3 LYS 52 3HB LYS 52 -2.730 19.945 -2.078
408 HG2 LYS 52 2HG LYS 52 -4.554 18.944 -3.216
409 HG3 LYS 52 3HG LYS 52 -3.092 18.569 -4.133
410 HD2 LYS 52 2HD LYS 52 -4.103 16.509 -4.093
411 HD3 LYS 52 3HD LYS 52 -3.103 16.403 -2.642
412 HE2 LYS 52 2HE LYS 52 -4.898 16.576 -1.229
413 HE3 LYS 52 3HE LYS 52 -5.856 17.501 -2.384
414 HZ1 LYS 52 1HZ LYS 52 -5.753 15.244 -3.691
415 HZ2 LYS 52 2HZ LYS 52 -6.913 15.507 -2.489
416 HZ3 LYS 52 3HZ LYS 52 -5.526 14.604 -2.142
417 H LEU 53 H LEU 53 -0.641 20.530 -3.069
418 HA LEU 53 HA LEU 53 -0.540 20.011 -5.775
419 HB2 LEU 53 2HB LEU 53 -0.362 22.242 -4.722
420 HB3 LEU 53 3HB LEU 53 1.290 21.855 -4.245
421 HG LEU 53 HG LEU 53 0.629 21.685 -7.134
422 HD11 LEU 53 1HD1 LEU 53 -0.470 23.730 -6.688
423 HD12 LEU 53 2HD1 LEU 53 1.123 24.152 -7.316
424 HD13 LEU 53 3HD1 LEU 53 0.801 24.258 -5.586
425 HD21 LEU 53 1HD2 LEU 53 2.990 23.137 -6.208
426 HD22 LEU 53 2HD2 LEU 53 2.851 21.814 -7.367
427 HD23 LEU 53 3HD2 LEU 53 2.908 21.470 -5.637
428 H LEU 54 H LEU 54 1.749 19.169 -3.297
429 HA LEU 54 HA LEU 54 3.839 18.483 -5.177
430 HB2 LEU 54 2HB LEU 54 4.452 19.367 -3.010
431 HB3 LEU 54 3HB LEU 54 3.590 18.058 -2.203
432 HG LEU 54 HG LEU 54 6.176 17.982 -2.373
433 HD11 LEU 54 1HD1 LEU 54 6.113 15.677 -2.123
434 HD12 LEU 54 2HD1 LEU 54 4.798 15.485 -3.282
435 HD13 LEU 54 3HD1 LEU 54 4.475 16.167 -1.688
436 HD21 LEU 54 1HD2 LEU 54 5.839 18.315 -4.976
437 HD22 LEU 54 2HD2 LEU 54 5.709 16.557 -4.938
438 HD23 LEU 54 3HD2 LEU 54 7.163 17.347 -4.328
439 H GLU 55 H GLU 55 1.807 16.698 -2.854
440 HA GLU 55 HA GLU 55 2.634 14.131 -3.607
441 HB2 GLU 55 2HB GLU 55 1.375 14.647 -1.538
442 HB3 GLU 55 3HB GLU 55 -0.057 14.959 -2.508
443 HG2 GLU 55 2HG GLU 55 -0.591 12.821 -2.418
444 HG3 GLU 55 3HG GLU 55 0.921 12.402 -3.221
445 H CYS 56 H CYS 56 -0.571 15.511 -4.326
446 HA CYS 56 HA CYS 56 -0.560 13.987 -6.841
447 HB2 CYS 56 2HB CYS 56 -2.762 14.870 -5.000
448 HB3 CYS 56 3HB CYS 56 -3.108 14.496 -6.683
449 HG CYS 56 HG CYS 56 -1.696 12.304 -4.465
450 H LEU 57 H LEU 57 -2.312 15.136 -8.402
451 HA LEU 57 HA LEU 57 -1.161 17.772 -8.919
452 HB2 LEU 57 2HB LEU 57 -2.000 17.547 -11.149
453 HB3 LEU 57 3HB LEU 57 -1.159 16.064 -10.702
454 HG LEU 57 HG LEU 57 -3.662 15.340 -10.084
455 HD11 LEU 57 1HD1 LEU 57 -3.893 17.524 -12.117
456 HD12 LEU 57 2HD1 LEU 57 -4.884 17.215 -10.692
457 HD13 LEU 57 3HD1 LEU 57 -5.028 16.174 -12.108
458 HD21 LEU 57 1HD2 LEU 57 -2.185 15.227 -12.692
459 HD22 LEU 57 2HD2 LEU 57 -3.750 14.440 -12.485
460 HD23 LEU 57 3HD2 LEU 57 -2.384 13.967 -11.474
461 H ASP 58 H ASP 58 -2.643 19.462 -9.800
462 HA ASP 58 HA ASP 58 -5.388 19.309 -8.827
463 HB2 ASP 58 2HB ASP 58 -3.265 20.878 -7.563
464 HB3 ASP 58 3HB ASP 58 -4.671 21.843 -8.006
465 H TYR 59 H TYR 59 -6.411 21.646 -9.297
466 HA TYR 59 HA TYR 59 -5.851 22.125 -12.134
467 HB2 TYR 59 2HB TYR 59 -8.260 22.868 -10.462
468 HB3 TYR 59 3HB TYR 59 -8.089 23.171 -12.187
469 HD1 TYR 59 HD1 TYR 59 -9.533 21.046 -9.870
470 HD2 TYR 59 HD2 TYR 59 -7.391 20.933 -13.545
471 HE1 TYR 59 HE1 TYR 59 -10.480 18.826 -10.347
472 HE2 TYR 59 HE2 TYR 59 -8.333 18.714 -14.032
473 HH TYR 59 HH TYR 59 -10.787 17.493 -13.017
474 H LEU 60 H LEU 60 -6.943 24.107 -9.373
475 HA LEU 60 HA LEU 60 -5.771 26.473 -10.537
476 HB2 LEU 60 2HB LEU 60 -7.614 25.838 -8.365
477 HB3 LEU 60 3HB LEU 60 -6.497 27.144 -7.974
478 HG LEU 60 HG LEU 60 -7.700 27.508 -10.586
479 HD11 LEU 60 1HD1 LEU 60 -9.548 27.335 -8.211
480 HD12 LEU 60 2HD1 LEU 60 -9.570 26.290 -9.631
481 HD13 LEU 60 3HD1 LEU 60 -9.964 28.002 -9.790
482 HD21 LEU 60 1HD2 LEU 60 -8.452 29.632 -9.185
483 HD22 LEU 60 2HD2 LEU 60 -6.797 29.428 -9.761
484 HD23 LEU 60 3HD2 LEU 60 -7.205 29.035 -8.090
Start of MODEL 2
1 H LEU 1 H LEU 1 3.907 -0.803 2.441
2 HA LEU 1 HA LEU 1 3.375 0.983 0.704
3 HB2 LEU 1 2HB LEU 1 2.936 2.601 2.578
4 HB3 LEU 1 3HB LEU 1 4.681 2.691 2.811
5 HG LEU 1 HG LEU 1 4.940 3.625 0.570
6 HD11 LEU 1 1HD1 LEU 1 2.677 4.429 -0.461
7 HD12 LEU 1 2HD1 LEU 1 2.017 3.058 0.430
8 HD13 LEU 1 3HD1 LEU 1 3.275 2.800 -0.778
9 HD21 LEU 1 1HD2 LEU 1 3.523 4.871 2.755
10 HD22 LEU 1 2HD2 LEU 1 3.079 5.594 1.208
11 HD23 LEU 1 3HD2 LEU 1 4.773 5.532 1.700
12 H LYS 2 H LYS 2 4.842 -0.417 -0.311
13 HA LYS 2 HA LYS 2 7.677 0.291 0.074
14 HB2 LYS 2 2HB LYS 2 6.401 -2.352 -0.602
15 HB3 LYS 2 3HB LYS 2 8.101 -2.033 -0.923
16 HG2 LYS 2 2HG LYS 2 8.647 -2.431 1.187
17 HG3 LYS 2 3HG LYS 2 7.419 -1.311 1.780
18 HD2 LYS 2 2HD LYS 2 5.870 -2.958 2.086
19 HD3 LYS 2 3HD LYS 2 6.498 -3.944 0.763
20 HE2 LYS 2 2HE LYS 2 8.489 -4.441 2.198
21 HE3 LYS 2 3HE LYS 2 7.666 -3.619 3.523
22 HZ1 LYS 2 1HZ LYS 2 7.040 -5.763 3.901
23 HZ2 LYS 2 2HZ LYS 2 7.053 -6.193 2.265
24 HZ3 LYS 2 3HZ LYS 2 5.770 -5.285 2.890
25 H GLU 3 H GLU 3 8.015 1.766 -1.502
26 HA GLU 3 HA GLU 3 8.028 0.844 -4.224
27 HB2 GLU 3 2HB GLU 3 5.679 1.998 -3.443
28 HB3 GLU 3 3HB GLU 3 6.565 3.391 -4.048
29 HG2 GLU 3 2HG GLU 3 5.584 2.748 -5.977
30 HG3 GLU 3 3HG GLU 3 7.028 1.741 -6.070
31 H ASN 4 H ASN 4 8.573 2.929 -5.675
32 HA ASN 4 HA ASN 4 10.560 4.531 -4.211
33 HB2 ASN 4 2HB ASN 4 10.919 2.967 -6.757
34 HB3 ASN 4 3HB ASN 4 11.941 4.353 -6.387
35 HD21 ASN 4 1HD2 ASN 4 13.802 3.798 -5.546
36 HD22 ASN 4 2HD2 ASN 4 14.091 2.463 -4.488
37 H ASP 5 H ASP 5 7.942 5.338 -4.866
38 HA ASP 5 HA ASP 5 8.550 7.696 -6.422
39 HB2 ASP 5 2HB ASP 5 7.064 5.461 -7.561
40 HB3 ASP 5 3HB ASP 5 6.140 6.960 -7.587
41 H HIS 6 H HIS 6 5.507 6.046 -5.593
42 HA HIS 6 HA HIS 6 4.262 8.377 -4.626
43 HB2 HIS 6 2HB HIS 6 3.199 6.156 -5.401
44 HB3 HIS 6 3HB HIS 6 3.488 5.602 -3.754
45 HD1 HIS 6 HD1 HIS 6 1.505 5.871 -2.322
46 HD2 HIS 6 HD2 HIS 6 1.694 8.818 -5.245
47 HE1 HIS 6 HE1 HIS 6 -0.542 7.291 -1.979
48 H ALA 7 H ALA 7 6.355 6.058 -3.122
49 HA ALA 7 HA ALA 7 5.680 6.569 -0.422
50 HB1 ALA 7 1HB ALA 7 8.388 5.694 -1.393
51 HB2 ALA 7 2HB ALA 7 7.612 5.343 0.153
52 HB3 ALA 7 3HB ALA 7 7.000 4.607 -1.329
53 H ARG 8 H ARG 8 8.423 7.733 -2.388
54 HA ARG 8 HA ARG 8 9.479 9.486 -0.491
55 HB2 ARG 8 2HB ARG 8 10.779 8.899 -2.416
56 HB3 ARG 8 3HB ARG 8 9.563 9.549 -3.507
57 HG2 ARG 8 2HG ARG 8 10.485 11.561 -3.439
58 HG3 ARG 8 3HG ARG 8 10.453 11.576 -1.674
59 HD2 ARG 8 2HD ARG 8 12.515 9.894 -2.975
60 HD3 ARG 8 3HD ARG 8 12.720 11.642 -3.086
61 HE ARG 8 HE ARG 8 13.055 10.011 -0.757
62 HH11 ARG 8 1HH1 ARG 8 12.718 13.986 -0.428
63 HH12 ARG 8 2HH1 ARG 8 12.236 13.198 -1.893
64 HH21 ARG 8 1HH2 ARG 8 13.547 12.756 1.318
65 HH22 ARG 8 2HH2 ARG 8 13.693 11.037 1.178
66 H PHE 9 H PHE 9 7.063 10.043 -3.023
67 HA PHE 9 HA PHE 9 6.768 12.800 -2.698
68 HB2 PHE 9 2HB PHE 9 5.234 10.623 -3.932
69 HB3 PHE 9 3HB PHE 9 4.242 11.972 -3.387
70 HD1 PHE 9 HD1 PHE 9 5.633 14.335 -3.935
71 HD2 PHE 9 HD2 PHE 9 5.657 10.716 -6.175
72 HE1 PHE 9 HE1 PHE 9 6.234 15.597 -5.960
73 HE2 PHE 9 HE2 PHE 9 6.260 11.972 -8.204
74 HZ PHE 9 HZ PHE 9 6.550 14.415 -8.098
75 H LEU 10 H LEU 10 4.942 10.143 -1.193
76 HA LEU 10 HA LEU 10 3.214 11.701 0.346
77 HB2 LEU 10 2HB LEU 10 3.648 9.019 -0.034
78 HB3 LEU 10 3HB LEU 10 4.107 9.245 1.652
79 HG LEU 10 HG LEU 10 1.676 10.563 1.432
80 HD11 LEU 10 1HD1 LEU 10 0.313 8.522 0.546
81 HD12 LEU 10 2HD1 LEU 10 1.783 8.190 -0.371
82 HD13 LEU 10 3HD1 LEU 10 0.943 9.727 -0.579
83 HD21 LEU 10 1HD2 LEU 10 2.140 9.379 3.377
84 HD22 LEU 10 2HD2 LEU 10 2.549 7.904 2.501
85 HD23 LEU 10 3HD2 LEU 10 0.866 8.421 2.621
86 H GLN 11 H GLN 11 6.405 10.372 1.156
87 HA GLN 11 HA GLN 11 6.562 11.169 3.804
88 HB2 GLN 11 2HB GLN 11 8.567 10.655 1.660
89 HB3 GLN 11 3HB GLN 11 9.121 11.436 3.135
90 HG2 GLN 11 2HG GLN 11 7.890 9.481 4.319
91 HG3 GLN 11 3HG GLN 11 8.017 8.693 2.747
92 HE21 GLN 11 1HE2 GLN 11 9.682 7.389 2.621
93 HE22 GLN 11 2HE2 GLN 11 11.221 7.614 3.372
94 H THR 12 H THR 12 6.865 13.054 0.893
95 HA THR 12 HA THR 12 8.042 15.345 2.149
96 HB THR 12 HB THR 12 6.658 15.047 -0.522
97 HG1 THR 12 HG1 THR 12 8.829 14.030 0.038
98 HG21 THR 12 1HG2 THR 12 8.154 17.232 -0.848
99 HG22 THR 12 2HG2 THR 12 7.803 17.403 0.872
100 HG23 THR 12 3HG2 THR 12 6.482 17.308 -0.292
101 H ALA 13 H ALA 13 4.805 14.756 0.763
102 HA ALA 13 HA ALA 13 3.574 17.088 1.572
103 HB1 ALA 13 1HB ALA 13 1.540 15.294 1.803
104 HB2 ALA 13 2HB ALA 13 2.100 15.995 0.284
105 HB3 ALA 13 3HB ALA 13 2.682 14.409 0.791
106 H LYS 14 H LYS 14 4.202 14.165 3.422
107 HA LYS 14 HA LYS 14 2.651 14.987 5.692
108 HB2 LYS 14 2HB LYS 14 3.043 12.612 5.191
109 HB3 LYS 14 3HB LYS 14 4.769 12.842 5.444
110 HG2 LYS 14 2HG LYS 14 4.277 12.065 7.496
111 HG3 LYS 14 3HG LYS 14 3.850 13.752 7.793
112 HD2 LYS 14 2HD LYS 14 1.745 13.171 8.211
113 HD3 LYS 14 3HD LYS 14 1.613 12.418 6.620
114 HE2 LYS 14 2HE LYS 14 2.672 10.377 7.572
115 HE3 LYS 14 3HE LYS 14 2.616 11.139 9.161
116 HZ1 LYS 14 1HZ LYS 14 0.118 11.025 7.661
117 HZ2 LYS 14 2HZ LYS 14 0.393 10.853 9.321
118 HZ3 LYS 14 3HZ LYS 14 0.703 9.561 8.275
119 H ASN 15 H ASN 15 6.117 14.860 4.926
120 HA ASN 15 HA ASN 15 7.099 15.778 7.367
121 HB2 ASN 15 2HB ASN 15 8.560 14.848 5.652
122 HB3 ASN 15 3HB ASN 15 8.211 16.205 4.586
123 HD21 ASN 15 1HD2 ASN 15 10.158 17.128 4.410
124 HD22 ASN 15 2HD2 ASN 15 11.081 17.743 5.735
125 H ILE 16 H ILE 16 5.444 17.457 4.855
126 HA ILE 16 HA ILE 16 6.357 20.084 5.554
127 HB ILE 16 HB ILE 16 3.960 19.227 3.929
128 HG12 ILE 16 2HG1 ILE 16 6.377 20.477 2.726
129 HG13 ILE 16 3HG1 ILE 16 6.514 18.802 3.251
130 HG21 ILE 16 1HG2 ILE 16 3.482 21.407 4.633
131 HG22 ILE 16 2HG2 ILE 16 5.162 21.919 4.480
132 HG23 ILE 16 3HG2 ILE 16 4.201 21.609 3.035
133 HD11 ILE 16 1HD1 ILE 16 5.332 19.860 0.883
134 HD12 ILE 16 2HD1 ILE 16 5.595 18.178 1.344
135 HD13 ILE 16 3HD1 ILE 16 4.107 18.999 1.815
136 H THR 17 H THR 17 3.214 18.434 5.915
137 HA THR 17 HA THR 17 2.145 20.441 7.629
138 HB THR 17 HB THR 17 0.961 17.744 7.808
139 HG1 THR 17 HG1 THR 17 0.758 19.140 5.345
140 HG21 THR 17 1HG2 THR 17 -1.009 19.285 6.951
141 HG22 THR 17 2HG2 THR 17 0.078 20.570 7.478
142 HG23 THR 17 3HG2 THR 17 -0.463 19.345 8.626
143 H GLU 18 H GLU 18 4.248 17.808 8.137
144 HA GLU 18 HA GLU 18 3.557 17.409 10.915
145 HB2 GLU 18 2HB GLU 18 4.403 15.559 9.486
146 HB3 GLU 18 3HB GLU 18 5.947 16.392 9.369
147 HG2 GLU 18 2HG GLU 18 6.012 16.282 11.911
148 HG3 GLU 18 3HG GLU 18 4.690 15.125 11.776
149 H ARG 19 H ARG 19 6.003 19.103 9.048
150 HA ARG 19 HA ARG 19 7.623 19.796 11.300
151 HB2 ARG 19 2HB ARG 19 8.275 19.692 8.793
152 HB3 ARG 19 3HB ARG 19 7.596 21.312 8.707
153 HG2 ARG 19 2HG ARG 19 9.290 21.355 10.919
154 HG3 ARG 19 3HG ARG 19 10.160 20.445 9.682
155 HD2 ARG 19 2HD ARG 19 9.783 22.271 8.089
156 HD3 ARG 19 3HD ARG 19 8.930 23.178 9.338
157 HE ARG 19 HE ARG 19 11.603 22.416 10.075
158 HH11 ARG 19 1HH1 ARG 19 10.794 26.080 8.679
159 HH12 ARG 19 2HH1 ARG 19 9.641 24.803 8.472
160 HH21 ARG 19 1HH2 ARG 19 12.778 25.672 9.749
161 HH22 ARG 19 2HH2 ARG 19 13.129 24.088 10.354
162 H VAL 20 H VAL 20 4.944 21.280 9.596
163 HA VAL 20 HA VAL 20 5.193 23.846 10.822
164 HB VAL 20 HB VAL 20 4.013 23.572 8.696
165 HG11 VAL 20 1HG1 VAL 20 1.909 22.112 10.291
166 HG12 VAL 20 2HG1 VAL 20 1.836 22.513 8.574
167 HG13 VAL 20 3HG1 VAL 20 3.035 21.360 9.161
168 HG21 VAL 20 1HG2 VAL 20 2.389 24.609 11.008
169 HG22 VAL 20 2HG2 VAL 20 3.428 25.520 9.913
170 HG23 VAL 20 3HG2 VAL 20 1.915 24.832 9.325
171 H SER 21 H SER 21 3.429 20.896 11.564
172 HA SER 21 HA SER 21 1.761 21.967 13.577
173 HB2 SER 21 2HB SER 21 1.055 19.886 12.801
174 HB3 SER 21 3HB SER 21 2.679 19.201 12.859
175 HG SER 21 HG SER 21 1.154 19.929 15.140
176 H MET 22 H MET 22 4.795 20.109 13.826
177 HA MET 22 HA MET 22 5.069 20.263 16.599
178 HB2 MET 22 2HB MET 22 6.447 19.019 14.654
179 HB3 MET 22 3HB MET 22 7.547 20.353 14.973
180 HG2 MET 22 2HG MET 22 8.181 19.530 16.957
181 HG3 MET 22 3HG MET 22 6.556 18.984 17.365
182 HE1 MET 22 1HE MET 22 9.044 17.032 14.203
183 HE2 MET 22 2HE MET 22 9.258 18.641 14.893
184 HE3 MET 22 3HE MET 22 10.089 17.258 15.607
185 H ALA 23 H ALA 23 6.190 22.455 14.058
186 HA ALA 23 HA ALA 23 7.743 24.173 15.599
187 HB1 ALA 23 1HB ALA 23 7.992 24.659 13.396
188 HB2 ALA 23 2HB ALA 23 6.286 24.398 13.029
189 HB3 ALA 23 3HB ALA 23 6.804 25.897 13.801
190 H THR 24 H THR 24 4.274 24.391 14.830
191 HA THR 24 HA THR 24 3.891 26.688 16.511
192 HB THR 24 HB THR 24 1.524 25.081 15.759
193 HG1 THR 24 HG1 THR 24 3.456 25.902 13.920
194 HG21 THR 24 1HG2 THR 24 1.076 27.520 14.782
195 HG22 THR 24 2HG2 THR 24 2.346 27.929 15.937
196 HG23 THR 24 3HG2 THR 24 0.870 27.140 16.492
197 H ALA 25 H ALA 25 4.004 23.319 17.009
198 HA ALA 25 HA ALA 25 2.323 23.344 19.375
199 HB1 ALA 25 1HB ALA 25 2.358 21.396 17.856
200 HB2 ALA 25 2HB ALA 25 4.044 21.118 18.293
201 HB3 ALA 25 3HB ALA 25 2.781 20.981 19.517
202 H SER 26 H SER 26 5.598 23.882 18.585
203 HA SER 26 HA SER 26 6.409 23.482 21.387
204 HB2 SER 26 2HB SER 26 7.609 22.481 19.145
205 HB3 SER 26 3HB SER 26 8.530 23.962 19.400
206 HG SER 26 HG SER 26 8.772 23.209 21.625
207 H SER 27 H SER 27 5.474 25.831 19.267
208 HA SER 27 HA SER 27 7.271 27.879 20.345
209 HB2 SER 27 2HB SER 27 6.867 27.756 17.872
210 HB3 SER 27 3HB SER 27 5.182 28.175 18.176
211 HG SER 27 HG SER 27 6.326 30.022 19.414
212 H GLN 28 H GLN 28 3.780 27.419 19.778
213 HA GLN 28 HA GLN 28 3.248 29.306 21.966
214 HB2 GLN 28 2HB GLN 28 1.403 28.295 19.794
215 HB3 GLN 28 3HB GLN 28 0.973 29.465 21.034
216 HG2 GLN 28 2HG GLN 28 3.317 30.390 19.736
217 HG3 GLN 28 3HG GLN 28 2.153 29.917 18.500
218 HE21 GLN 28 1HE2 GLN 28 0.922 31.515 17.854
219 HE22 GLN 28 2HE2 GLN 28 0.371 32.839 18.817
220 H VAL 29 H VAL 29 3.732 26.164 21.713
221 HA VAL 29 HA VAL 29 3.184 24.352 22.979
222 HB VAL 29 HB VAL 29 1.434 26.100 24.688
223 HG11 VAL 29 1HG1 VAL 29 3.053 24.350 26.182
224 HG12 VAL 29 2HG1 VAL 29 1.314 24.246 25.904
225 HG13 VAL 29 3HG1 VAL 29 2.433 23.420 24.818
226 HG21 VAL 29 1HG2 VAL 29 3.783 26.223 25.982
227 HG22 VAL 29 2HG2 VAL 29 4.362 26.225 24.316
228 HG23 VAL 29 3HG2 VAL 29 3.231 27.465 24.859
229 H LEU 30 H LEU 30 1.308 25.645 20.866
230 HA LEU 30 HA LEU 30 -0.716 25.225 19.908
231 HB2 LEU 30 2HB LEU 30 0.518 22.909 20.180
232 HB3 LEU 30 3HB LEU 30 -0.820 22.585 21.281
233 HG LEU 30 HG LEU 30 -2.334 23.238 19.308
234 HD11 LEU 30 1HD1 LEU 30 -0.567 22.286 17.308
235 HD12 LEU 30 2HD1 LEU 30 0.215 23.640 18.125
236 HD13 LEU 30 3HD1 LEU 30 -1.382 23.847 17.405
237 HD21 LEU 30 1HD2 LEU 30 -2.540 21.032 19.787
238 HD22 LEU 30 2HD2 LEU 30 -0.800 20.746 19.753
239 HD23 LEU 30 3HD2 LEU 30 -1.703 20.873 18.242
240 H ILE 31 H ILE 31 -1.243 26.833 21.856
241 HA ILE 31 HA ILE 31 -3.669 25.739 23.085
242 HB ILE 31 HB ILE 31 -3.174 27.042 25.169
243 HG12 ILE 31 2HG1 ILE 31 -0.323 27.010 24.972
244 HG13 ILE 31 3HG1 ILE 31 -0.963 27.916 23.605
245 HG21 ILE 31 1HG2 ILE 31 -2.633 24.505 24.605
246 HG22 ILE 31 2HG2 ILE 31 -0.987 25.056 24.916
247 HG23 ILE 31 3HG2 ILE 31 -2.225 25.227 26.161
248 HD11 ILE 31 1HD1 ILE 31 -1.296 29.666 24.907
249 HD12 ILE 31 2HD1 ILE 31 -2.347 28.716 25.957
250 HD13 ILE 31 3HD1 ILE 31 -0.611 28.772 26.264
251 HA PRO 32 HA PRO 32 -5.572 29.461 21.740
252 HB2 PRO 32 2HB PRO 32 -7.482 29.785 23.642
253 HB3 PRO 32 3HB PRO 32 -7.569 28.533 22.397
254 HG2 PRO 32 2HG PRO 32 -6.679 28.312 25.247
255 HG3 PRO 32 3HG PRO 32 -7.708 27.215 24.308
256 HD2 PRO 32 2HD PRO 32 -5.082 26.725 24.753
257 HD3 PRO 32 3HD PRO 32 -5.910 26.217 23.267
258 H GLU 33 H GLU 33 -6.012 31.695 22.320
259 HA GLU 33 HA GLU 33 -4.986 32.708 24.822
260 HB2 GLU 33 2HB GLU 33 -2.888 32.575 23.726
261 HB3 GLU 33 3HB GLU 33 -3.553 33.178 22.215
262 HG2 GLU 33 2HG GLU 33 -3.892 35.370 23.235
263 HG3 GLU 33 3HG GLU 33 -3.226 34.766 24.751
264 H ILE 34 H ILE 34 -6.127 33.429 21.554
265 HA ILE 34 HA ILE 34 -8.165 35.163 22.520
266 HB ILE 34 HB ILE 34 -6.369 36.761 22.758
267 HG12 ILE 34 2HG1 ILE 34 -7.413 37.861 20.261
268 HG13 ILE 34 3HG1 ILE 34 -8.671 37.156 21.271
269 HG21 ILE 34 1HG2 ILE 34 -4.891 37.386 20.991
270 HG22 ILE 34 2HG2 ILE 34 -4.839 35.630 21.138
271 HG23 ILE 34 3HG2 ILE 34 -5.760 36.378 19.833
272 HD11 ILE 34 1HD1 ILE 34 -8.242 38.635 23.026
273 HD12 ILE 34 2HD1 ILE 34 -6.676 39.105 22.364
274 HD13 ILE 34 3HD1 ILE 34 -8.162 39.626 21.570
275 H ASN 35 H ASN 35 -6.184 34.139 19.786
276 HA ASN 35 HA ASN 35 -8.562 33.581 18.246
277 HB2 ASN 35 2HB ASN 35 -6.669 35.795 17.513
278 HB3 ASN 35 3HB ASN 35 -7.525 34.905 16.258
279 HD21 ASN 35 1HD2 ASN 35 -7.613 37.654 17.879
280 HD22 ASN 35 2HD2 ASN 35 -9.316 37.937 17.962
281 H LEU 36 H LEU 36 -6.084 32.293 19.394
282 HA LEU 36 HA LEU 36 -4.281 31.525 17.434
283 HB2 LEU 36 2HB LEU 36 -3.860 30.979 19.709
284 HB3 LEU 36 3HB LEU 36 -5.347 30.041 19.824
285 HG LEU 36 HG LEU 36 -3.761 28.868 17.792
286 HD11 LEU 36 1HD1 LEU 36 -1.886 28.209 19.532
287 HD12 LEU 36 2HD1 LEU 36 -2.225 29.827 20.145
288 HD13 LEU 36 3HD1 LEU 36 -1.716 29.608 18.471
289 HD21 LEU 36 1HD2 LEU 36 -5.212 27.486 18.947
290 HD22 LEU 36 2HD2 LEU 36 -4.729 28.119 20.521
291 HD23 LEU 36 3HD2 LEU 36 -3.649 27.043 19.633
292 H ASN 37 H ASN 37 -7.490 30.267 18.152
293 HA ASN 37 HA ASN 37 -7.493 27.941 16.665
294 HB2 ASN 37 2HB ASN 37 -9.356 29.113 18.125
295 HB3 ASN 37 3HB ASN 37 -9.898 29.715 16.561
296 HD21 ASN 37 1HD2 ASN 37 -10.612 27.502 18.701
297 HD22 ASN 37 2HD2 ASN 37 -11.112 26.191 17.693
298 H ASP 38 H ASP 38 -8.235 31.237 15.560
299 HA ASP 38 HA ASP 38 -8.647 30.456 12.845
300 HB2 ASP 38 2HB ASP 38 -9.207 32.708 14.322
301 HB3 ASP 38 3HB ASP 38 -7.885 33.253 13.293
302 H THR 39 H THR 39 -5.898 31.455 14.737
303 HA THR 39 HA THR 39 -4.178 32.106 12.573
304 HB THR 39 HB THR 39 -2.972 31.052 15.071
305 HG1 THR 39 HG1 THR 39 -3.572 33.307 15.924
306 HG21 THR 39 1HG2 THR 39 -2.596 33.633 13.547
307 HG22 THR 39 2HG2 THR 39 -1.660 32.160 13.290
308 HG23 THR 39 3HG2 THR 39 -1.561 33.010 14.832
309 H PHE 40 H PHE 40 -4.146 29.266 14.740
310 HA PHE 40 HA PHE 40 -2.291 27.752 13.370
311 HB2 PHE 40 2HB PHE 40 -3.454 27.292 15.627
312 HB3 PHE 40 3HB PHE 40 -4.697 26.494 14.669
313 HD1 PHE 40 HD1 PHE 40 -0.995 26.531 14.289
314 HD2 PHE 40 HD2 PHE 40 -4.490 24.232 15.073
315 HE1 PHE 40 HE1 PHE 40 0.356 24.474 14.260
316 HE2 PHE 40 HE2 PHE 40 -3.145 22.172 15.047
317 HZ PHE 40 HZ PHE 40 -0.719 22.291 14.640
318 H ASP 41 H ASP 41 -5.784 27.959 12.850
319 HA ASP 41 HA ASP 41 -6.050 25.942 10.942
320 HB2 ASP 41 2HB ASP 41 -7.812 27.525 12.144
321 HB3 ASP 41 3HB ASP 41 -7.663 28.433 10.643
322 H THR 42 H THR 42 -5.851 29.445 10.289
323 HA THR 42 HA THR 42 -5.502 29.229 7.529
324 HB THR 42 HB THR 42 -5.860 31.327 9.156
325 HG1 THR 42 HG1 THR 42 -6.135 32.136 7.229
326 HG21 THR 42 1HG2 THR 42 -3.019 31.746 8.276
327 HG22 THR 42 2HG2 THR 42 -3.397 31.061 9.857
328 HG23 THR 42 3HG2 THR 42 -3.968 32.675 9.435
329 H PHE 43 H PHE 43 -3.271 28.736 10.117
330 HA PHE 43 HA PHE 43 -0.885 29.111 8.581
331 HB2 PHE 43 2HB PHE 43 -1.087 29.273 11.112
332 HB3 PHE 43 3HB PHE 43 -1.141 27.514 11.129
333 HD1 PHE 43 HD1 PHE 43 0.847 26.928 12.185
334 HD2 PHE 43 HD2 PHE 43 0.918 29.731 8.982
335 HE1 PHE 43 HE1 PHE 43 3.306 26.853 12.179
336 HE2 PHE 43 HE2 PHE 43 3.377 29.660 8.970
337 HZ PHE 43 HZ PHE 43 4.575 28.219 10.569
338 H ALA 44 H ALA 44 -2.525 26.219 9.868
339 HA ALA 44 HA ALA 44 -0.856 24.381 8.492
340 HB1 ALA 44 1HB ALA 44 -2.688 22.738 9.074
341 HB2 ALA 44 2HB ALA 44 -1.950 23.591 10.430
342 HB3 ALA 44 3HB ALA 44 -3.532 24.089 9.832
343 H LEU 45 H LEU 45 -4.137 25.595 7.856
344 HA LEU 45 HA LEU 45 -4.831 24.124 5.659
345 HB2 LEU 45 2HB LEU 45 -6.505 25.533 6.284
346 HB3 LEU 45 3HB LEU 45 -5.410 26.886 6.562
347 HG LEU 45 HG LEU 45 -5.299 27.320 4.177
348 HD11 LEU 45 1HD1 LEU 45 -5.511 25.438 2.943
349 HD12 LEU 45 2HD1 LEU 45 -7.198 25.950 2.886
350 HD13 LEU 45 3HD1 LEU 45 -6.690 24.717 4.039
351 HD21 LEU 45 1HD2 LEU 45 -7.649 27.980 3.809
352 HD22 LEU 45 2HD2 LEU 45 -7.059 28.419 5.413
353 HD23 LEU 45 3HD2 LEU 45 -8.115 27.020 5.214
354 H ASP 46 H ASP 46 -3.178 27.285 5.509
355 HA ASP 46 HA ASP 46 -2.693 27.399 2.809
356 HB2 ASP 46 2HB ASP 46 -1.979 28.924 4.961
357 HB3 ASP 46 3HB ASP 46 -0.417 28.289 4.450
358 H PHE 47 H PHE 47 -0.618 25.910 5.284
359 HA PHE 47 HA PHE 47 1.441 25.065 3.615
360 HB2 PHE 47 2HB PHE 47 0.526 24.485 6.317
361 HB3 PHE 47 3HB PHE 47 1.240 23.073 5.544
362 HD1 PHE 47 HD1 PHE 47 3.487 23.706 4.179
363 HD2 PHE 47 HD2 PHE 47 1.941 25.773 7.564
364 HE1 PHE 47 HE1 PHE 47 5.736 24.572 4.674
365 HE2 PHE 47 HE2 PHE 47 4.187 26.642 8.063
366 HZ PHE 47 HZ PHE 47 6.089 26.043 6.617
367 H SER 48 H SER 48 -1.433 23.250 4.676
368 HA SER 48 HA SER 48 -0.972 20.878 3.343
369 HB2 SER 48 2HB SER 48 -2.916 21.613 4.942
370 HB3 SER 48 3HB SER 48 -3.751 22.003 3.438
371 HG SER 48 HG SER 48 -4.022 19.798 4.319
372 H ARG 49 H ARG 49 -2.576 23.800 2.125
373 HA ARG 49 HA ARG 49 -3.450 22.969 -0.325
374 HB2 ARG 49 2HB ARG 49 -2.951 25.447 0.922
375 HB3 ARG 49 3HB ARG 49 -2.148 25.517 -0.641
376 HG2 ARG 49 2HG ARG 49 -4.782 24.387 -0.903
377 HG3 ARG 49 3HG ARG 49 -4.843 25.959 -0.102
378 HD2 ARG 49 2HD ARG 49 -3.146 26.571 -2.060
379 HD3 ARG 49 3HD ARG 49 -4.005 25.254 -2.858
380 HE ARG 49 HE ARG 49 -4.998 27.877 -2.329
381 HH11 ARG 49 1HH1 ARG 49 -7.548 24.902 -3.149
382 HH12 ARG 49 2HH1 ARG 49 -5.923 24.538 -2.671
383 HH21 ARG 49 1HH2 ARG 49 -8.236 27.082 -3.313
384 HH22 ARG 49 2HH2 ARG 49 -7.134 28.369 -2.958
385 H GLU 50 H GLU 50 -0.151 23.899 0.558
386 HA GLU 50 HA GLU 50 0.858 23.487 -2.105
387 HB2 GLU 50 2HB GLU 50 1.744 24.978 -0.059
388 HB3 GLU 50 3HB GLU 50 2.714 23.537 0.212
389 HG2 GLU 50 2HG GLU 50 3.229 23.784 -2.346
390 HG3 GLU 50 3HG GLU 50 2.766 25.460 -2.055
391 H LYS 51 H LYS 51 0.576 21.626 0.832
392 HA LYS 51 HA LYS 51 2.431 19.599 0.285
393 HB2 LYS 51 2HB LYS 51 1.602 18.574 2.137
394 HB3 LYS 51 3HB LYS 51 0.851 20.145 2.381
395 HG2 LYS 51 2HG LYS 51 -0.970 18.831 2.675
396 HG3 LYS 51 3HG LYS 51 -1.066 19.037 0.924
397 HD2 LYS 51 2HD LYS 51 0.387 16.904 0.823
398 HD3 LYS 51 3HD LYS 51 -0.115 16.668 2.498
399 HE2 LYS 51 2HE LYS 51 -2.480 16.832 1.746
400 HE3 LYS 51 3HE LYS 51 -1.904 16.903 0.082
401 HZ1 LYS 51 1HZ LYS 51 -1.386 14.720 0.070
402 HZ2 LYS 51 2HZ LYS 51 -2.580 14.644 1.266
403 HZ3 LYS 51 3HZ LYS 51 -0.946 14.681 1.703
404 H LYS 52 H LYS 52 -0.779 20.181 -0.928
405 HA LYS 52 HA LYS 52 -1.077 17.539 -2.054
406 HB2 LYS 52 2HB LYS 52 -3.073 18.688 -1.344
407 HB3 LYS 52 3HB LYS 52 -2.691 20.075 -2.355
408 HG2 LYS 52 2HG LYS 52 -4.407 18.841 -3.436
409 HG3 LYS 52 3HG LYS 52 -2.916 18.588 -4.347
410 HD2 LYS 52 2HD LYS 52 -3.689 16.434 -4.221
411 HD3 LYS 52 3HD LYS 52 -2.696 16.496 -2.762
412 HE2 LYS 52 2HE LYS 52 -4.519 16.565 -1.364
413 HE3 LYS 52 3HE LYS 52 -5.566 17.281 -2.588
414 HZ1 LYS 52 1HZ LYS 52 -4.725 14.727 -3.435
415 HZ2 LYS 52 2HZ LYS 52 -6.295 15.276 -3.128
416 HZ3 LYS 52 3HZ LYS 52 -5.375 14.605 -1.878
417 H LEU 53 H LEU 53 -0.701 20.824 -3.390
418 HA LEU 53 HA LEU 53 -0.528 20.183 -6.068
419 HB2 LEU 53 2HB LEU 53 -0.494 22.471 -4.842
420 HB3 LEU 53 3HB LEU 53 1.257 22.272 -4.885
421 HG LEU 53 HG LEU 53 0.239 21.826 -7.507
422 HD11 LEU 53 1HD1 LEU 53 -1.626 23.294 -6.369
423 HD12 LEU 53 2HD1 LEU 53 -1.070 23.629 -8.009
424 HD13 LEU 53 3HD1 LEU 53 -0.463 24.589 -6.659
425 HD21 LEU 53 1HD2 LEU 53 2.498 22.591 -6.869
426 HD22 LEU 53 2HD2 LEU 53 1.811 24.138 -6.374
427 HD23 LEU 53 3HD2 LEU 53 1.735 23.639 -8.064
428 H LEU 54 H LEU 54 1.826 19.735 -3.551
429 HA LEU 54 HA LEU 54 4.071 19.344 -5.277
430 HB2 LEU 54 2HB LEU 54 4.391 20.027 -2.981
431 HB3 LEU 54 3HB LEU 54 3.596 18.563 -2.405
432 HG LEU 54 HG LEU 54 6.179 18.740 -2.311
433 HD11 LEU 54 1HD1 LEU 54 5.154 16.249 -3.614
434 HD12 LEU 54 2HD1 LEU 54 4.618 16.712 -1.999
435 HD13 LEU 54 3HD1 LEU 54 6.330 16.426 -2.312
436 HD21 LEU 54 1HD2 LEU 54 6.306 19.443 -4.732
437 HD22 LEU 54 2HD2 LEU 54 5.889 17.780 -5.149
438 HD23 LEU 54 3HD2 LEU 54 7.374 18.121 -4.258
439 H GLU 55 H GLU 55 2.215 17.059 -3.254
440 HA GLU 55 HA GLU 55 3.343 14.743 -4.390
441 HB2 GLU 55 2HB GLU 55 1.880 15.138 -2.213
442 HB3 GLU 55 3HB GLU 55 0.571 14.675 -3.291
443 HG2 GLU 55 2HG GLU 55 2.427 12.737 -3.786
444 HG3 GLU 55 3HG GLU 55 2.663 13.051 -2.068
445 H CYS 56 H CYS 56 0.027 15.993 -4.817
446 HA CYS 56 HA CYS 56 -0.283 14.427 -7.233
447 HB2 CYS 56 2HB CYS 56 -2.035 15.296 -5.290
448 HB3 CYS 56 3HB CYS 56 -2.385 16.376 -6.633
449 HG CYS 56 HG CYS 56 -2.219 13.068 -7.316
450 H LEU 57 H LEU 57 -1.798 15.940 -8.874
451 HA LEU 57 HA LEU 57 -0.105 18.255 -9.541
452 HB2 LEU 57 2HB LEU 57 -0.259 15.891 -10.972
453 HB3 LEU 57 3HB LEU 57 -1.339 16.979 -11.840
454 HG LEU 57 HG LEU 57 0.829 17.063 -12.856
455 HD11 LEU 57 1HD1 LEU 57 0.463 19.543 -11.185
456 HD12 LEU 57 2HD1 LEU 57 -0.453 19.170 -12.644
457 HD13 LEU 57 3HD1 LEU 57 1.290 19.418 -12.737
458 HD21 LEU 57 1HD2 LEU 57 1.997 17.975 -10.240
459 HD22 LEU 57 2HD2 LEU 57 2.843 17.517 -11.718
460 HD23 LEU 57 3HD2 LEU 57 2.020 16.289 -10.756
461 H ASP 58 H ASP 58 -3.171 16.722 -10.538
462 HA ASP 58 HA ASP 58 -4.357 19.348 -10.937
463 HB2 ASP 58 2HB ASP 58 -5.718 16.678 -11.289
464 HB3 ASP 58 3HB ASP 58 -6.157 18.223 -12.013
465 H TYR 59 H TYR 59 -6.294 20.025 -9.917
466 HA TYR 59 HA TYR 59 -7.512 18.575 -7.803
467 HB2 TYR 59 2HB TYR 59 -6.776 19.891 -5.906
468 HB3 TYR 59 3HB TYR 59 -5.373 19.179 -6.695
469 HD1 TYR 59 HD1 TYR 59 -6.792 22.163 -5.429
470 HD2 TYR 59 HD2 TYR 59 -4.145 20.699 -8.421
471 HE1 TYR 59 HE1 TYR 59 -5.773 24.394 -5.610
472 HE2 TYR 59 HE2 TYR 59 -3.118 22.926 -8.610
473 HH TYR 59 HH TYR 59 -4.401 25.624 -7.711
474 H LEU 60 H LEU 60 -8.186 20.151 -10.166
475 HA LEU 60 HA LEU 60 -9.908 22.171 -8.888
476 HB2 LEU 60 2HB LEU 60 -7.961 22.810 -10.582
477 HB3 LEU 60 3HB LEU 60 -9.210 22.419 -11.762
478 HG LEU 60 HG LEU 60 -9.897 24.315 -9.576
479 HD11 LEU 60 1HD1 LEU 60 -7.748 25.160 -10.240
480 HD12 LEU 60 2HD1 LEU 60 -9.004 26.185 -10.933
481 HD13 LEU 60 3HD1 LEU 60 -8.169 25.008 -11.946
482 HD21 LEU 60 1HD2 LEU 60 -11.699 24.499 -10.854
483 HD22 LEU 60 2HD2 LEU 60 -10.989 23.423 -12.058
484 HD23 LEU 60 3HD2 LEU 60 -10.697 25.160 -12.145
Start of MODEL 3
1 H LEU 1 H LEU 1 7.310 1.770 4.912
2 HA LEU 1 HA LEU 1 10.104 1.291 4.646
3 HB2 LEU 1 2HB LEU 1 8.458 -1.171 5.143
4 HB3 LEU 1 3HB LEU 1 10.210 -1.037 5.007
5 HG LEU 1 HG LEU 1 8.611 0.125 7.283
6 HD11 LEU 1 1HD1 LEU 1 8.402 -1.929 8.090
7 HD12 LEU 1 2HD1 LEU 1 10.160 -2.028 8.175
8 HD13 LEU 1 3HD1 LEU 1 9.314 -2.605 6.740
9 HD21 LEU 1 1HD2 LEU 1 11.049 -0.191 8.265
10 HD22 LEU 1 2HD2 LEU 1 10.585 1.260 7.376
11 HD23 LEU 1 3HD2 LEU 1 11.489 -0.021 6.565
12 H LYS 2 H LYS 2 8.928 2.466 2.775
13 HA LYS 2 HA LYS 2 8.834 0.637 0.580
14 HB2 LYS 2 2HB LYS 2 6.523 0.440 1.522
15 HB3 LYS 2 3HB LYS 2 6.294 2.154 1.199
16 HG2 LYS 2 2HG LYS 2 7.201 1.017 -1.203
17 HG3 LYS 2 3HG LYS 2 5.976 -0.079 -0.558
18 HD2 LYS 2 2HD LYS 2 4.376 1.713 -0.414
19 HD3 LYS 2 3HD LYS 2 5.602 2.898 -0.873
20 HE2 LYS 2 2HE LYS 2 5.552 2.300 -3.073
21 HE3 LYS 2 3HE LYS 2 5.125 0.626 -2.721
22 HZ1 LYS 2 1HZ LYS 2 3.401 2.947 -3.083
23 HZ2 LYS 2 2HZ LYS 2 2.922 1.827 -1.909
24 HZ3 LYS 2 3HZ LYS 2 3.144 1.331 -3.511
25 H GLU 3 H GLU 3 9.590 1.631 -1.183
26 HA GLU 3 HA GLU 3 9.156 4.490 -1.549
27 HB2 GLU 3 2HB GLU 3 11.680 3.319 -0.710
28 HB3 GLU 3 3HB GLU 3 11.839 4.189 -2.229
29 HG2 GLU 3 2HG GLU 3 10.381 5.941 -0.743
30 HG3 GLU 3 3HG GLU 3 11.405 5.192 0.481
31 H ASN 4 H ASN 4 8.571 4.840 -3.580
32 HA ASN 4 HA ASN 4 9.890 3.555 -5.787
33 HB2 ASN 4 2HB ASN 4 7.822 2.113 -4.772
34 HB3 ASN 4 3HB ASN 4 6.974 3.114 -5.946
35 HD21 ASN 4 1HD2 ASN 4 6.943 0.488 -6.354
36 HD22 ASN 4 2HD2 ASN 4 7.978 0.044 -7.665
37 H ASP 5 H ASP 5 6.932 5.311 -4.867
38 HA ASP 5 HA ASP 5 7.655 7.595 -6.408
39 HB2 ASP 5 2HB ASP 5 5.883 5.556 -7.611
40 HB3 ASP 5 3HB ASP 5 5.324 7.221 -7.736
41 H HIS 6 H HIS 6 4.531 6.064 -5.632
42 HA HIS 6 HA HIS 6 3.351 8.422 -4.661
43 HB2 HIS 6 2HB HIS 6 2.232 6.221 -5.409
44 HB3 HIS 6 3HB HIS 6 2.526 5.670 -3.763
45 HD1 HIS 6 HD1 HIS 6 1.143 8.948 -5.134
46 HD2 HIS 6 HD2 HIS 6 0.204 5.944 -2.422
47 HE1 HIS 6 HE1 HIS 6 -1.017 9.661 -4.062
48 H ALA 7 H ALA 7 5.414 6.079 -3.159
49 HA ALA 7 HA ALA 7 4.771 6.618 -0.456
50 HB1 ALA 7 1HB ALA 7 6.106 4.872 -0.176
51 HB2 ALA 7 2HB ALA 7 6.592 4.959 -1.870
52 HB3 ALA 7 3HB ALA 7 7.493 5.855 -0.646
53 H ARG 8 H ARG 8 7.589 7.666 -2.384
54 HA ARG 8 HA ARG 8 8.623 9.452 -0.510
55 HB2 ARG 8 2HB ARG 8 9.810 10.485 -2.423
56 HB3 ARG 8 3HB ARG 8 9.932 8.731 -2.412
57 HG2 ARG 8 2HG ARG 8 8.410 8.512 -4.197
58 HG3 ARG 8 3HG ARG 8 7.890 10.192 -4.057
59 HD2 ARG 8 2HD ARG 8 10.729 10.073 -4.454
60 HD3 ARG 8 3HD ARG 8 9.909 9.139 -5.705
61 HE ARG 8 HE ARG 8 8.510 11.454 -5.642
62 HH11 ARG 8 1HH1 ARG 8 12.258 12.109 -6.889
63 HH12 ARG 8 2HH1 ARG 8 11.898 10.708 -5.935
64 HH21 ARG 8 1HH2 ARG 8 10.592 13.584 -7.436
65 HH22 ARG 8 2HH2 ARG 8 8.971 13.302 -6.898
66 H PHE 9 H PHE 9 5.993 9.793 -2.756
67 HA PHE 9 HA PHE 9 5.851 12.649 -2.629
68 HB2 PHE 9 2HB PHE 9 4.163 10.469 -3.765
69 HB3 PHE 9 3HB PHE 9 3.411 12.038 -3.493
70 HD1 PHE 9 HD1 PHE 9 5.242 14.012 -4.244
71 HD2 PHE 9 HD2 PHE 9 4.727 10.149 -5.956
72 HE1 PHE 9 HE1 PHE 9 6.181 14.831 -6.366
73 HE2 PHE 9 HE2 PHE 9 5.667 10.961 -8.079
74 HZ PHE 9 HZ PHE 9 6.396 13.304 -8.286
75 H LEU 10 H LEU 10 3.733 10.086 -1.334
76 HA LEU 10 HA LEU 10 2.090 11.707 0.207
77 HB2 LEU 10 2HB LEU 10 2.353 9.004 -0.254
78 HB3 LEU 10 3HB LEU 10 2.693 9.151 1.469
79 HG LEU 10 HG LEU 10 0.338 10.652 0.828
80 HD11 LEU 10 1HD1 LEU 10 -0.428 9.406 -0.886
81 HD12 LEU 10 2HD1 LEU 10 -0.886 8.294 0.404
82 HD13 LEU 10 3HD1 LEU 10 0.608 8.034 -0.496
83 HD21 LEU 10 1HD2 LEU 10 1.257 9.422 2.971
84 HD22 LEU 10 2HD2 LEU 10 0.290 8.090 2.339
85 HD23 LEU 10 3HD2 LEU 10 -0.473 9.637 2.708
86 H GLN 11 H GLN 11 5.153 10.150 1.074
87 HA GLN 11 HA GLN 11 5.229 10.797 3.773
88 HB2 GLN 11 2HB GLN 11 6.837 9.328 2.454
89 HB3 GLN 11 3HB GLN 11 7.651 10.812 1.977
90 HG2 GLN 11 2HG GLN 11 7.994 11.327 4.381
91 HG3 GLN 11 3HG GLN 11 7.315 9.748 4.770
92 HE21 GLN 11 1HE2 GLN 11 9.444 9.518 5.814
93 HE22 GLN 11 2HE2 GLN 11 10.761 8.935 4.861
94 H THR 12 H THR 12 6.444 12.665 1.004
95 HA THR 12 HA THR 12 7.484 14.827 2.434
96 HB THR 12 HB THR 12 6.308 14.739 -0.348
97 HG1 THR 12 HG1 THR 12 8.159 13.567 -0.334
98 HG21 THR 12 1HG2 THR 12 7.314 16.987 1.251
99 HG22 THR 12 2HG2 THR 12 6.302 16.986 -0.194
100 HG23 THR 12 3HG2 THR 12 8.052 16.834 -0.343
101 H ALA 13 H ALA 13 4.272 14.466 0.934
102 HA ALA 13 HA ALA 13 3.175 16.903 1.603
103 HB1 ALA 13 1HB ALA 13 2.118 14.233 0.984
104 HB2 ALA 13 2HB ALA 13 1.022 15.283 1.883
105 HB3 ALA 13 3HB ALA 13 1.676 15.812 0.333
106 H LYS 14 H LYS 14 3.290 13.952 3.572
107 HA LYS 14 HA LYS 14 1.886 15.073 5.779
108 HB2 LYS 14 2HB LYS 14 3.557 12.612 5.380
109 HB3 LYS 14 3HB LYS 14 3.018 13.068 6.990
110 HG2 LYS 14 2HG LYS 14 0.768 13.205 5.292
111 HG3 LYS 14 3HG LYS 14 1.597 11.685 4.948
112 HD2 LYS 14 2HD LYS 14 0.157 11.118 6.683
113 HD3 LYS 14 3HD LYS 14 1.684 11.417 7.516
114 HE2 LYS 14 2HE LYS 14 0.887 13.231 8.586
115 HE3 LYS 14 3HE LYS 14 -0.032 13.779 7.184
116 HZ1 LYS 14 1HZ LYS 14 -1.870 12.918 8.036
117 HZ2 LYS 14 2HZ LYS 14 -1.023 12.568 9.457
118 HZ3 LYS 14 3HZ LYS 14 -1.151 11.400 8.239
119 H ASN 15 H ASN 15 5.328 14.522 5.101
120 HA ASN 15 HA ASN 15 6.385 15.391 7.517
121 HB2 ASN 15 2HB ASN 15 7.386 14.670 4.984
122 HB3 ASN 15 3HB ASN 15 8.053 16.262 5.334
123 HD21 ASN 15 1HD2 ASN 15 9.372 13.667 5.184
124 HD22 ASN 15 2HD2 ASN 15 10.140 13.433 6.714
125 H ILE 16 H ILE 16 4.966 17.201 4.936
126 HA ILE 16 HA ILE 16 6.112 19.730 5.613
127 HB ILE 16 HB ILE 16 3.652 19.061 3.996
128 HG12 ILE 16 2HG1 ILE 16 6.134 20.166 2.792
129 HG13 ILE 16 3HG1 ILE 16 6.190 18.493 3.335
130 HG21 ILE 16 1HG2 ILE 16 3.895 21.390 3.132
131 HG22 ILE 16 2HG2 ILE 16 3.403 21.289 4.821
132 HG23 ILE 16 3HG2 ILE 16 5.072 21.684 4.411
133 HD11 ILE 16 1HD1 ILE 16 5.053 19.584 0.958
134 HD12 ILE 16 2HD1 ILE 16 5.249 17.896 1.430
135 HD13 ILE 16 3HD1 ILE 16 3.797 18.779 1.898
136 H THR 17 H THR 17 2.863 18.339 6.082
137 HA THR 17 HA THR 17 1.973 20.491 7.729
138 HB THR 17 HB THR 17 0.579 17.919 8.049
139 HG1 THR 17 HG1 THR 17 1.063 19.062 5.503
140 HG21 THR 17 1HG2 THR 17 -0.468 19.944 8.789
141 HG22 THR 17 2HG2 THR 17 -1.351 19.369 7.375
142 HG23 THR 17 3HG2 THR 17 -0.216 20.709 7.221
143 H GLU 18 H GLU 18 3.709 17.561 8.302
144 HA GLU 18 HA GLU 18 3.099 17.395 11.105
145 HB2 GLU 18 2HB GLU 18 5.005 15.985 9.268
146 HB3 GLU 18 3HB GLU 18 5.161 15.803 11.010
147 HG2 GLU 18 2HG GLU 18 2.787 15.053 11.072
148 HG3 GLU 18 3HG GLU 18 2.790 15.076 9.310
149 H ARG 19 H ARG 19 5.697 18.711 9.131
150 HA ARG 19 HA ARG 19 7.425 19.321 11.316
151 HB2 ARG 19 2HB ARG 19 8.088 19.047 8.875
152 HB3 ARG 19 3HB ARG 19 7.430 20.656 8.612
153 HG2 ARG 19 2HG ARG 19 9.112 20.988 10.777
154 HG3 ARG 19 3HG ARG 19 9.973 19.850 9.739
155 HD2 ARG 19 2HD ARG 19 9.620 21.403 7.835
156 HD3 ARG 19 3HD ARG 19 8.895 22.555 8.957
157 HE ARG 19 HE ARG 19 11.415 21.866 9.938
158 HH11 ARG 19 1HH1 ARG 19 11.366 24.571 6.987
159 HH12 ARG 19 2HH1 ARG 19 10.008 23.520 7.216
160 HH21 ARG 19 1HH2 ARG 19 13.186 24.413 8.369
161 HH22 ARG 19 2HH2 ARG 19 13.209 23.244 9.646
162 H VAL 20 H VAL 20 5.142 21.226 9.376
163 HA VAL 20 HA VAL 20 5.602 23.721 10.524
164 HB VAL 20 HB VAL 20 4.239 23.466 8.525
165 HG11 VAL 20 1HG1 VAL 20 3.133 21.355 9.212
166 HG12 VAL 20 2HG1 VAL 20 2.114 22.287 10.310
167 HG13 VAL 20 3HG1 VAL 20 2.013 22.556 8.570
168 HG21 VAL 20 1HG2 VAL 20 2.310 24.928 9.206
169 HG22 VAL 20 2HG2 VAL 20 2.838 24.725 10.876
170 HG23 VAL 20 3HG2 VAL 20 3.901 25.504 9.704
171 H SER 21 H SER 21 3.524 21.073 11.580
172 HA SER 21 HA SER 21 2.227 22.483 13.663
173 HB2 SER 21 2HB SER 21 1.058 20.568 13.209
174 HB3 SER 21 3HB SER 21 2.514 19.636 12.859
175 HG SER 21 HG SER 21 1.882 18.844 14.768
176 H MET 22 H MET 22 4.971 20.212 13.705
177 HA MET 22 HA MET 22 5.507 20.311 16.434
178 HB2 MET 22 2HB MET 22 6.524 18.826 14.558
179 HB3 MET 22 3HB MET 22 7.714 20.112 14.409
180 HG2 MET 22 2HG MET 22 8.643 19.682 16.455
181 HG3 MET 22 3HG MET 22 7.163 18.977 17.101
182 HE1 MET 22 1HE MET 22 10.251 17.244 14.338
183 HE2 MET 22 2HE MET 22 8.693 17.220 13.511
184 HE3 MET 22 3HE MET 22 9.338 18.739 14.134
185 H ALA 23 H ALA 23 6.073 22.656 13.972
186 HA ALA 23 HA ALA 23 8.046 24.131 15.494
187 HB1 ALA 23 1HB ALA 23 7.171 24.072 12.785
188 HB2 ALA 23 2HB ALA 23 7.010 25.719 13.396
189 HB3 ALA 23 3HB ALA 23 8.567 24.896 13.479
190 H THR 24 H THR 24 4.604 24.201 14.918
191 HA THR 24 HA THR 24 4.206 26.823 16.019
192 HB THR 24 HB THR 24 1.775 25.406 16.159
193 HG1 THR 24 HG1 THR 24 3.009 24.928 13.648
194 HG21 THR 24 1HG2 THR 24 1.385 27.469 15.356
195 HG22 THR 24 2HG2 THR 24 1.686 26.749 13.775
196 HG23 THR 24 3HG2 THR 24 2.984 27.587 14.624
197 H ALA 25 H ALA 25 3.504 23.516 17.144
198 HA ALA 25 HA ALA 25 2.555 24.257 19.688
199 HB1 ALA 25 1HB ALA 25 3.152 21.848 20.274
200 HB2 ALA 25 2HB ALA 25 2.000 22.098 18.962
201 HB3 ALA 25 3HB ALA 25 3.678 21.695 18.597
202 H SER 26 H SER 26 5.740 22.951 18.744
203 HA SER 26 HA SER 26 6.969 23.138 21.227
204 HB2 SER 26 2HB SER 26 7.873 22.008 19.147
205 HB3 SER 26 3HB SER 26 8.375 23.604 18.592
206 HG SER 26 HG SER 26 9.917 23.650 20.063
207 H SER 27 H SER 27 6.421 25.591 18.789
208 HA SER 27 HA SER 27 8.183 27.556 19.742
209 HB2 SER 27 2HB SER 27 7.343 28.047 17.635
210 HB3 SER 27 3HB SER 27 5.695 27.598 18.074
211 HG SER 27 HG SER 27 7.105 29.967 18.658
212 H GLN 28 H GLN 28 4.696 27.146 20.357
213 HA GLN 28 HA GLN 28 5.043 28.747 22.806
214 HB2 GLN 28 2HB GLN 28 2.810 28.652 20.810
215 HB3 GLN 28 3HB GLN 28 2.478 29.107 22.476
216 HG2 GLN 28 2HG GLN 28 4.708 30.612 21.689
217 HG3 GLN 28 3HG GLN 28 3.567 30.676 20.346
218 HE21 GLN 28 1HE2 GLN 28 2.829 32.709 20.554
219 HE22 GLN 28 2HE2 GLN 28 1.995 33.311 21.943
220 H VAL 29 H VAL 29 2.422 26.668 21.608
221 HA VAL 29 HA VAL 29 2.894 24.469 23.266
222 HB VAL 29 HB VAL 29 2.501 25.892 25.162
223 HG11 VAL 29 1HG1 VAL 29 -0.033 26.690 23.739
224 HG12 VAL 29 2HG1 VAL 29 0.303 27.054 25.433
225 HG13 VAL 29 3HG1 VAL 29 1.332 27.722 24.166
226 HG21 VAL 29 1HG2 VAL 29 0.733 24.707 26.243
227 HG22 VAL 29 2HG2 VAL 29 -0.025 24.314 24.700
228 HG23 VAL 29 3HG2 VAL 29 1.522 23.587 25.132
229 H LEU 30 H LEU 30 0.619 26.506 21.578
230 HA LEU 30 HA LEU 30 -1.039 25.994 20.098
231 HB2 LEU 30 2HB LEU 30 0.625 23.960 19.753
232 HB3 LEU 30 3HB LEU 30 -0.707 23.066 20.483
233 HG LEU 30 HG LEU 30 -1.962 24.527 18.522
234 HD11 LEU 30 1HD1 LEU 30 0.717 24.706 17.876
235 HD12 LEU 30 2HD1 LEU 30 -0.643 24.951 16.781
236 HD13 LEU 30 3HD1 LEU 30 0.133 23.371 16.884
237 HD21 LEU 30 1HD2 LEU 30 -2.022 22.036 19.246
238 HD22 LEU 30 2HD2 LEU 30 -0.847 21.811 17.950
239 HD23 LEU 30 3HD2 LEU 30 -2.444 22.466 17.589
240 H ILE 31 H ILE 31 -2.580 26.787 21.561
241 HA ILE 31 HA ILE 31 -4.429 24.767 22.510
242 HB ILE 31 HB ILE 31 -4.615 25.919 24.763
243 HG12 ILE 31 2HG1 ILE 31 -1.824 26.695 24.812
244 HG13 ILE 31 3HG1 ILE 31 -2.717 27.629 23.616
245 HG21 ILE 31 1HG2 ILE 31 -2.018 24.481 24.250
246 HG22 ILE 31 2HG2 ILE 31 -2.926 24.542 25.760
247 HG23 ILE 31 3HG2 ILE 31 -3.589 23.687 24.368
248 HD11 ILE 31 1HD1 ILE 31 -3.795 27.313 26.380
249 HD12 ILE 31 2HD1 ILE 31 -2.535 28.499 26.038
250 HD13 ILE 31 3HD1 ILE 31 -4.085 28.592 25.202
251 HA PRO 32 HA PRO 32 -7.432 27.752 21.351
252 HB2 PRO 32 2HB PRO 32 -9.464 27.148 23.047
253 HB3 PRO 32 3HB PRO 32 -9.013 26.118 21.683
254 HG2 PRO 32 2HG PRO 32 -8.309 25.843 24.580
255 HG3 PRO 32 3HG PRO 32 -8.813 24.593 23.427
256 HD2 PRO 32 2HD PRO 32 -6.223 24.979 24.117
257 HD3 PRO 32 3HD PRO 32 -6.708 24.417 22.504
258 H GLU 33 H GLU 33 -6.122 29.561 22.142
259 HA GLU 33 HA GLU 33 -6.735 30.557 24.804
260 HB2 GLU 33 2HB GLU 33 -4.640 30.969 22.846
261 HB3 GLU 33 3HB GLU 33 -5.269 32.502 23.431
262 HG2 GLU 33 2HG GLU 33 -4.965 30.962 25.718
263 HG3 GLU 33 3HG GLU 33 -3.546 30.594 24.739
264 H ILE 34 H ILE 34 -6.571 32.304 21.713
265 HA ILE 34 HA ILE 34 -9.312 33.222 22.025
266 HB ILE 34 HB ILE 34 -7.008 35.174 21.950
267 HG12 ILE 34 2HG1 ILE 34 -9.045 34.585 24.109
268 HG13 ILE 34 3HG1 ILE 34 -7.332 34.183 24.167
269 HG21 ILE 34 1HG2 ILE 34 -8.430 36.674 21.147
270 HG22 ILE 34 2HG2 ILE 34 -9.676 35.432 21.043
271 HG23 ILE 34 3HG2 ILE 34 -9.513 36.396 22.510
272 HD11 ILE 34 1HD1 ILE 34 -7.200 36.839 23.725
273 HD12 ILE 34 2HD1 ILE 34 -8.695 36.732 24.655
274 HD13 ILE 34 3HD1 ILE 34 -7.193 36.094 25.324
275 H ASN 35 H ASN 35 -6.498 34.450 20.223
276 HA ASN 35 HA ASN 35 -7.997 33.971 17.738
277 HB2 ASN 35 2HB ASN 35 -6.418 36.200 18.702
278 HB3 ASN 35 3HB ASN 35 -5.810 35.621 17.154
279 HD21 ASN 35 1HD2 ASN 35 -7.566 37.947 18.291
280 HD22 ASN 35 2HD2 ASN 35 -8.809 38.083 17.099
281 H LEU 36 H LEU 36 -5.509 32.740 19.558
282 HA LEU 36 HA LEU 36 -3.454 32.163 17.812
283 HB2 LEU 36 2HB LEU 36 -3.263 31.625 20.129
284 HB3 LEU 36 3HB LEU 36 -4.628 30.514 20.039
285 HG LEU 36 HG LEU 36 -2.287 29.889 18.336
286 HD11 LEU 36 1HD1 LEU 36 -1.476 28.648 20.550
287 HD12 LEU 36 2HD1 LEU 36 -2.169 30.093 21.285
288 HD13 LEU 36 3HD1 LEU 36 -0.889 30.244 20.082
289 HD21 LEU 36 1HD2 LEU 36 -3.552 28.067 18.164
290 HD22 LEU 36 2HD2 LEU 36 -4.586 28.575 19.500
291 HD23 LEU 36 3HD2 LEU 36 -3.095 27.689 19.825
292 H ASN 37 H ASN 37 -6.518 30.446 18.249
293 HA ASN 37 HA ASN 37 -6.022 28.262 16.590
294 HB2 ASN 37 2HB ASN 37 -8.356 29.535 17.791
295 HB3 ASN 37 3HB ASN 37 -8.718 28.810 16.227
296 HD21 ASN 37 1HD2 ASN 37 -7.880 26.553 15.944
297 HD22 ASN 37 2HD2 ASN 37 -8.026 25.489 17.297
298 H ASP 38 H ASP 38 -7.467 31.412 15.797
299 HA ASP 38 HA ASP 38 -7.961 30.939 13.093
300 HB2 ASP 38 2HB ASP 38 -7.392 33.455 14.645
301 HB3 ASP 38 3HB ASP 38 -7.690 33.494 12.909
302 H THR 39 H THR 39 -5.116 32.444 14.616
303 HA THR 39 HA THR 39 -3.637 32.901 12.301
304 HB THR 39 HB THR 39 -1.828 32.149 14.375
305 HG1 THR 39 HG1 THR 39 -2.825 33.784 15.915
306 HG21 THR 39 1HG2 THR 39 -1.676 33.988 12.636
307 HG22 THR 39 2HG2 THR 39 -1.168 34.425 14.267
308 HG23 THR 39 3HG2 THR 39 -2.749 34.929 13.671
309 H PHE 40 H PHE 40 -3.457 30.111 14.515
310 HA PHE 40 HA PHE 40 -1.573 28.648 13.060
311 HB2 PHE 40 2HB PHE 40 -2.286 28.165 15.404
312 HB3 PHE 40 3HB PHE 40 -3.798 27.522 14.770
313 HD1 PHE 40 HD1 PHE 40 -0.366 27.097 13.425
314 HD2 PHE 40 HD2 PHE 40 -3.704 25.266 15.328
315 HE1 PHE 40 HE1 PHE 40 0.692 24.893 13.152
316 HE2 PHE 40 HE2 PHE 40 -2.651 23.059 15.059
317 HZ PHE 40 HZ PHE 40 -0.450 22.870 13.971
318 H ASP 41 H ASP 41 -5.103 28.691 12.873
319 HA ASP 41 HA ASP 41 -5.463 26.571 11.097
320 HB2 ASP 41 2HB ASP 41 -7.035 28.878 12.007
321 HB3 ASP 41 3HB ASP 41 -7.452 28.325 10.388
322 H THR 42 H THR 42 -5.475 30.042 10.265
323 HA THR 42 HA THR 42 -5.423 29.752 7.510
324 HB THR 42 HB THR 42 -5.548 31.897 9.104
325 HG1 THR 42 HG1 THR 42 -5.905 32.822 7.227
326 HG21 THR 42 1HG2 THR 42 -3.607 33.238 9.066
327 HG22 THR 42 2HG2 THR 42 -2.803 32.182 7.904
328 HG23 THR 42 3HG2 THR 42 -3.054 31.639 9.563
329 H PHE 43 H PHE 43 -2.859 29.393 9.822
330 HA PHE 43 HA PHE 43 -0.702 29.634 7.965
331 HB2 PHE 43 2HB PHE 43 -0.474 29.977 10.430
332 HB3 PHE 43 3HB PHE 43 -0.711 28.247 10.652
333 HD1 PHE 43 HD1 PHE 43 1.353 27.639 11.583
334 HD2 PHE 43 HD2 PHE 43 1.238 29.875 7.963
335 HE1 PHE 43 HE1 PHE 43 3.767 27.271 11.283
336 HE2 PHE 43 HE2 PHE 43 3.651 29.509 7.657
337 HZ PHE 43 HZ PHE 43 4.919 28.205 9.317
338 H ALA 44 H ALA 44 -1.988 26.798 9.710
339 HA ALA 44 HA ALA 44 -0.580 24.858 8.297
340 HB1 ALA 44 1HB ALA 44 -2.942 24.901 10.046
341 HB2 ALA 44 2HB ALA 44 -2.840 23.523 8.949
342 HB3 ALA 44 3HB ALA 44 -1.523 23.853 10.074
343 H LEU 45 H LEU 45 -3.826 26.170 7.686
344 HA LEU 45 HA LEU 45 -4.674 24.610 5.617
345 HB2 LEU 45 2HB LEU 45 -5.662 26.776 6.750
346 HB3 LEU 45 3HB LEU 45 -4.981 27.558 5.324
347 HG LEU 45 HG LEU 45 -7.252 27.154 4.835
348 HD11 LEU 45 1HD1 LEU 45 -7.147 25.801 2.906
349 HD12 LEU 45 2HD1 LEU 45 -5.840 24.821 3.570
350 HD13 LEU 45 3HD1 LEU 45 -5.537 26.494 3.100
351 HD21 LEU 45 1HD2 LEU 45 -7.348 24.268 5.111
352 HD22 LEU 45 2HD2 LEU 45 -8.468 25.498 5.697
353 HD23 LEU 45 3HD2 LEU 45 -7.044 25.076 6.649
354 H ASP 46 H ASP 46 -2.883 27.663 5.150
355 HA ASP 46 HA ASP 46 -2.461 27.534 2.450
356 HB2 ASP 46 2HB ASP 46 -1.557 29.143 4.489
357 HB3 ASP 46 3HB ASP 46 -0.068 28.407 3.902
358 H PHE 47 H PHE 47 -0.464 26.049 4.982
359 HA PHE 47 HA PHE 47 1.541 24.994 3.377
360 HB2 PHE 47 2HB PHE 47 0.557 24.584 6.080
361 HB3 PHE 47 3HB PHE 47 1.146 23.084 5.369
362 HD1 PHE 47 HD1 PHE 47 3.438 23.562 3.933
363 HD2 PHE 47 HD2 PHE 47 2.088 25.681 7.369
364 HE1 PHE 47 HE1 PHE 47 5.753 24.239 4.420
365 HE2 PHE 47 HE2 PHE 47 4.400 26.362 7.861
366 HZ PHE 47 HZ PHE 47 6.236 25.642 6.386
367 H SER 48 H SER 48 -1.498 23.458 4.411
368 HA SER 48 HA SER 48 -1.197 21.001 3.191
369 HB2 SER 48 2HB SER 48 -3.095 21.823 4.709
370 HB3 SER 48 3HB SER 48 -3.838 22.456 3.240
371 HG SER 48 HG SER 48 -3.800 20.329 2.401
372 H ARG 49 H ARG 49 -2.513 23.990 1.801
373 HA ARG 49 HA ARG 49 -3.361 23.125 -0.649
374 HB2 ARG 49 2HB ARG 49 -3.034 25.561 0.484
375 HB3 ARG 49 3HB ARG 49 -1.751 25.603 -0.718
376 HG2 ARG 49 2HG ARG 49 -4.553 24.836 -1.450
377 HG3 ARG 49 3HG ARG 49 -4.042 26.523 -1.370
378 HD2 ARG 49 2HD ARG 49 -2.041 25.466 -2.846
379 HD3 ARG 49 3HD ARG 49 -3.381 24.428 -3.331
380 HE ARG 49 HE ARG 49 -4.371 26.968 -3.516
381 HH11 ARG 49 1HH1 ARG 49 -1.615 26.210 -6.318
382 HH12 ARG 49 2HH1 ARG 49 -1.642 25.275 -4.860
383 HH21 ARG 49 1HH2 ARG 49 -3.153 27.877 -6.642
384 HH22 ARG 49 2HH2 ARG 49 -4.346 28.205 -5.432
385 H GLU 50 H GLU 50 -0.036 23.842 0.329
386 HA GLU 50 HA GLU 50 1.033 23.246 -2.276
387 HB2 GLU 50 2HB GLU 50 1.953 24.763 -0.265
388 HB3 GLU 50 3HB GLU 50 2.803 23.270 0.109
389 HG2 GLU 50 2HG GLU 50 4.202 23.482 -1.621
390 HG3 GLU 50 3HG GLU 50 2.937 24.056 -2.705
391 H LYS 51 H LYS 51 0.498 21.539 0.716
392 HA LYS 51 HA LYS 51 2.225 19.365 0.338
393 HB2 LYS 51 2HB LYS 51 1.242 18.481 2.187
394 HB3 LYS 51 3HB LYS 51 0.599 20.111 2.335
395 HG2 LYS 51 2HG LYS 51 -1.326 18.946 2.592
396 HG3 LYS 51 3HG LYS 51 -1.328 19.080 0.832
397 HD2 LYS 51 2HD LYS 51 -0.042 16.847 0.880
398 HD3 LYS 51 3HD LYS 51 -0.613 16.723 2.546
399 HE2 LYS 51 2HE LYS 51 -2.935 17.017 1.705
400 HE3 LYS 51 3HE LYS 51 -2.303 16.976 0.060
401 HZ1 LYS 51 1HZ LYS 51 -2.961 14.819 1.732
402 HZ2 LYS 51 2HZ LYS 51 -1.302 14.751 1.409
403 HZ3 LYS 51 3HZ LYS 51 -2.411 14.781 0.132
404 H LYS 52 H LYS 52 -0.877 20.119 -1.048
405 HA LYS 52 HA LYS 52 -1.305 17.457 -2.087
406 HB2 LYS 52 2HB LYS 52 -3.250 18.756 -1.498
407 HB3 LYS 52 3HB LYS 52 -2.742 20.076 -2.544
408 HG2 LYS 52 2HG LYS 52 -4.487 18.914 -3.653
409 HG3 LYS 52 3HG LYS 52 -2.981 18.521 -4.486
410 HD2 LYS 52 2HD LYS 52 -2.879 16.376 -3.451
411 HD3 LYS 52 3HD LYS 52 -4.199 16.779 -2.350
412 HE2 LYS 52 2HE LYS 52 -5.543 17.138 -4.561
413 HE3 LYS 52 3HE LYS 52 -4.284 16.124 -5.264
414 HZ1 LYS 52 1HZ LYS 52 -4.967 14.307 -4.104
415 HZ2 LYS 52 2HZ LYS 52 -6.456 15.095 -4.254
416 HZ3 LYS 52 3HZ LYS 52 -5.584 15.203 -2.809
417 H LEU 53 H LEU 53 -0.678 20.660 -3.524
418 HA LEU 53 HA LEU 53 -0.435 19.902 -6.167
419 HB2 LEU 53 2HB LEU 53 -0.070 22.215 -4.735
420 HB3 LEU 53 3HB LEU 53 1.549 21.884 -5.350
421 HG LEU 53 HG LEU 53 0.039 21.573 -7.598
422 HD11 LEU 53 1HD1 LEU 53 -1.251 23.906 -7.385
423 HD12 LEU 53 2HD1 LEU 53 -1.419 23.334 -5.725
424 HD13 LEU 53 3HD1 LEU 53 -2.016 22.350 -7.062
425 HD21 LEU 53 1HD2 LEU 53 0.711 24.252 -7.620
426 HD22 LEU 53 2HD2 LEU 53 1.746 22.910 -8.110
427 HD23 LEU 53 3HD2 LEU 53 1.844 23.546 -6.468
428 H LEU 54 H LEU 54 1.777 19.415 -3.535
429 HA LEU 54 HA LEU 54 4.066 18.834 -5.150
430 HB2 LEU 54 2HB LEU 54 4.320 19.603 -2.867
431 HB3 LEU 54 3HB LEU 54 3.445 18.194 -2.270
432 HG LEU 54 HG LEU 54 6.026 18.269 -2.080
433 HD11 LEU 54 1HD1 LEU 54 4.371 16.314 -1.774
434 HD12 LEU 54 2HD1 LEU 54 6.081 15.953 -2.001
435 HD13 LEU 54 3HD1 LEU 54 4.957 15.778 -3.348
436 HD21 LEU 54 1HD2 LEU 54 6.107 18.829 -4.624
437 HD22 LEU 54 2HD2 LEU 54 5.941 17.084 -4.821
438 HD23 LEU 54 3HD2 LEU 54 7.308 17.745 -3.922
439 H GLU 55 H GLU 55 1.986 16.755 -3.124
440 HA GLU 55 HA GLU 55 3.016 14.312 -3.965
441 HB2 GLU 55 2HB GLU 55 1.405 14.777 -2.044
442 HB3 GLU 55 3HB GLU 55 0.122 14.754 -3.246
443 HG2 GLU 55 2HG GLU 55 1.326 12.431 -3.830
444 HG3 GLU 55 3HG GLU 55 1.700 12.540 -2.111
445 H CYS 56 H CYS 56 0.014 15.875 -5.100
446 HA CYS 56 HA CYS 56 0.524 14.886 -7.787
447 HB2 CYS 56 2HB CYS 56 -1.632 13.876 -6.010
448 HB3 CYS 56 3HB CYS 56 -2.070 14.199 -7.683
449 HG CYS 56 HG CYS 56 -0.116 11.772 -6.410
450 H LEU 57 H LEU 57 0.316 16.625 -9.019
451 HA LEU 57 HA LEU 57 -0.946 19.003 -8.267
452 HB2 LEU 57 2HB LEU 57 0.162 17.888 -10.776
453 HB3 LEU 57 3HB LEU 57 -0.937 19.257 -10.929
454 HG LEU 57 HG LEU 57 0.809 20.112 -8.992
455 HD11 LEU 57 1HD1 LEU 57 2.921 19.384 -9.324
456 HD12 LEU 57 2HD1 LEU 57 2.673 19.102 -11.047
457 HD13 LEU 57 3HD1 LEU 57 2.089 17.928 -9.868
458 HD21 LEU 57 1HD2 LEU 57 1.897 21.257 -11.099
459 HD22 LEU 57 2HD2 LEU 57 0.259 21.661 -10.583
460 HD23 LEU 57 3HD2 LEU 57 0.511 20.540 -11.922
461 H ASP 58 H ASP 58 -3.008 19.585 -8.202
462 HA ASP 58 HA ASP 58 -4.930 18.969 -10.150
463 HB2 ASP 58 2HB ASP 58 -4.513 16.844 -8.358
464 HB3 ASP 58 3HB ASP 58 -6.016 17.607 -7.848
465 H TYR 59 H TYR 59 -6.394 20.540 -10.049
466 HA TYR 59 HA TYR 59 -7.641 22.285 -9.296
467 HB2 TYR 59 2HB TYR 59 -7.508 20.974 -6.579
468 HB3 TYR 59 3HB TYR 59 -8.750 22.064 -7.185
469 HD1 TYR 59 HD1 TYR 59 -8.375 18.866 -6.253
470 HD2 TYR 59 HD2 TYR 59 -9.544 21.044 -9.716
471 HE1 TYR 59 HE1 TYR 59 -9.688 16.932 -7.019
472 HE2 TYR 59 HE2 TYR 59 -10.860 19.117 -10.491
473 HH TYR 59 HH TYR 59 -10.539 16.040 -9.219
474 H LEU 60 H LEU 60 -5.709 23.590 -9.671
475 HA LEU 60 HA LEU 60 -4.192 24.363 -7.309
476 HB2 LEU 60 2HB LEU 60 -2.702 25.438 -8.750
477 HB3 LEU 60 3HB LEU 60 -3.182 23.975 -9.607
478 HG LEU 60 HG LEU 60 -4.968 25.812 -10.568
479 HD11 LEU 60 1HD1 LEU 60 -3.277 27.434 -9.268
480 HD12 LEU 60 2HD1 LEU 60 -4.107 27.890 -10.756
481 HD13 LEU 60 3HD1 LEU 60 -2.440 27.316 -10.816
482 HD21 LEU 60 1HD2 LEU 60 -2.478 24.539 -11.497
483 HD22 LEU 60 2HD2 LEU 60 -3.018 25.939 -12.425
484 HD23 LEU 60 3HD2 LEU 60 -4.088 24.551 -12.217
Start of MODEL 4
1 H LEU 1 H LEU 1 5.037 4.431 3.471
2 HA LEU 1 HA LEU 1 7.319 5.153 3.218
3 HB2 LEU 1 2HB LEU 1 6.743 2.913 5.061
4 HB3 LEU 1 3HB LEU 1 8.441 3.311 4.808
5 HG LEU 1 HG LEU 1 7.313 5.765 5.324
6 HD11 LEU 1 1HD1 LEU 1 5.893 3.649 6.913
7 HD12 LEU 1 2HD1 LEU 1 5.200 4.985 5.996
8 HD13 LEU 1 3HD1 LEU 1 6.078 5.305 7.492
9 HD21 LEU 1 1HD2 LEU 1 8.583 3.813 7.242
10 HD22 LEU 1 2HD2 LEU 1 8.415 5.548 7.511
11 HD23 LEU 1 3HD2 LEU 1 9.427 4.953 6.193
12 H LYS 2 H LYS 2 6.943 1.660 2.681
13 HA LYS 2 HA LYS 2 9.471 1.605 1.217
14 HB2 LYS 2 2HB LYS 2 8.864 -0.155 2.931
15 HB3 LYS 2 3HB LYS 2 7.630 -0.713 1.809
16 HG2 LYS 2 2HG LYS 2 10.149 -0.497 0.459
17 HG3 LYS 2 3HG LYS 2 10.322 -1.472 1.919
18 HD2 LYS 2 2HD LYS 2 8.154 -1.908 -0.128
19 HD3 LYS 2 3HD LYS 2 9.705 -2.750 -0.156
20 HE2 LYS 2 2HE LYS 2 9.106 -4.135 1.498
21 HE3 LYS 2 3HE LYS 2 8.385 -2.834 2.445
22 HZ1 LYS 2 1HZ LYS 2 7.030 -4.807 1.153
23 HZ2 LYS 2 2HZ LYS 2 6.855 -3.485 0.113
24 HZ3 LYS 2 3HZ LYS 2 6.361 -3.362 1.726
25 H GLU 3 H GLU 3 8.941 2.685 -0.682
26 HA GLU 3 HA GLU 3 7.877 1.115 -2.761
27 HB2 GLU 3 2HB GLU 3 5.915 2.497 -1.257
28 HB3 GLU 3 3HB GLU 3 6.065 3.336 -2.795
29 HG2 GLU 3 2HG GLU 3 5.882 0.984 -3.837
30 HG3 GLU 3 3HG GLU 3 5.248 0.511 -2.261
31 H ASN 4 H ASN 4 7.233 2.811 -4.686
32 HA ASN 4 HA ASN 4 9.366 4.842 -4.715
33 HB2 ASN 4 2HB ASN 4 9.418 2.540 -6.198
34 HB3 ASN 4 3HB ASN 4 8.670 3.671 -7.322
35 HD21 ASN 4 1HD2 ASN 4 11.416 2.336 -6.963
36 HD22 ASN 4 2HD2 ASN 4 12.522 3.640 -7.217
37 H ASP 5 H ASP 5 8.956 6.737 -5.869
38 HA ASP 5 HA ASP 5 7.732 8.401 -6.841
39 HB2 ASP 5 2HB ASP 5 5.496 6.478 -7.414
40 HB3 ASP 5 3HB ASP 5 5.999 7.895 -8.332
41 H HIS 6 H HIS 6 5.204 6.263 -5.520
42 HA HIS 6 HA HIS 6 3.729 8.362 -4.360
43 HB2 HIS 6 2HB HIS 6 2.889 6.042 -4.934
44 HB3 HIS 6 3HB HIS 6 3.682 5.478 -3.465
45 HD1 HIS 6 HD1 HIS 6 1.264 4.792 -2.637
46 HD2 HIS 6 HD2 HIS 6 1.897 8.872 -3.105
47 HE1 HIS 6 HE1 HIS 6 -0.622 5.911 -1.406
48 H ALA 7 H ALA 7 6.458 6.545 -3.253
49 HA ALA 7 HA ALA 7 6.173 6.989 -0.472
50 HB1 ALA 7 1HB ALA 7 7.670 5.309 -0.921
51 HB2 ALA 7 2HB ALA 7 8.419 6.183 -2.258
52 HB3 ALA 7 3HB ALA 7 8.767 6.651 -0.593
53 H ARG 8 H ARG 8 7.930 8.744 -3.010
54 HA ARG 8 HA ARG 8 8.930 10.734 -1.213
55 HB2 ARG 8 2HB ARG 8 9.735 11.861 -3.210
56 HB3 ARG 8 3HB ARG 8 10.092 10.142 -3.306
57 HG2 ARG 8 2HG ARG 8 8.486 9.771 -4.945
58 HG3 ARG 8 3HG ARG 8 7.633 11.273 -4.580
59 HD2 ARG 8 2HD ARG 8 9.514 12.558 -5.464
60 HD3 ARG 8 3HD ARG 8 10.377 11.061 -5.814
61 HE ARG 8 HE ARG 8 7.806 11.185 -7.067
62 HH11 ARG 8 1HH1 ARG 8 11.097 12.287 -9.061
63 HH12 ARG 8 2HH1 ARG 8 11.140 12.149 -7.335
64 HH21 ARG 8 1HH2 ARG 8 9.161 11.840 -10.201
65 HH22 ARG 8 2HH2 ARG 8 7.737 11.363 -9.340
66 H PHE 9 H PHE 9 6.014 10.278 -2.991
67 HA PHE 9 HA PHE 9 5.236 13.052 -2.976
68 HB2 PHE 9 2HB PHE 9 3.909 10.483 -3.779
69 HB3 PHE 9 3HB PHE 9 2.953 11.951 -3.601
70 HD1 PHE 9 HD1 PHE 9 4.495 14.053 -4.695
71 HD2 PHE 9 HD2 PHE 9 4.251 10.006 -5.991
72 HE1 PHE 9 HE1 PHE 9 5.135 14.745 -6.968
73 HE2 PHE 9 HE2 PHE 9 4.891 10.691 -8.265
74 HZ PHE 9 HZ PHE 9 5.335 13.064 -8.756
75 H LEU 10 H LEU 10 4.276 10.122 -1.213
76 HA LEU 10 HA LEU 10 2.408 11.465 0.464
77 HB2 LEU 10 2HB LEU 10 2.958 8.858 -0.119
78 HB3 LEU 10 3HB LEU 10 3.613 9.006 1.510
79 HG LEU 10 HG LEU 10 0.828 9.936 0.959
80 HD11 LEU 10 1HD1 LEU 10 1.048 7.176 1.892
81 HD12 LEU 10 2HD1 LEU 10 1.557 7.412 0.221
82 HD13 LEU 10 3HD1 LEU 10 -0.061 7.898 0.726
83 HD21 LEU 10 1HD2 LEU 10 2.104 10.270 3.139
84 HD22 LEU 10 2HD2 LEU 10 1.943 8.528 3.367
85 HD23 LEU 10 3HD2 LEU 10 0.503 9.540 3.249
86 H GLN 11 H GLN 11 5.744 10.341 0.927
87 HA GLN 11 HA GLN 11 6.057 11.036 3.599
88 HB2 GLN 11 2HB GLN 11 7.696 9.717 2.324
89 HB3 GLN 11 3HB GLN 11 8.132 11.150 1.402
90 HG2 GLN 11 2HG GLN 11 9.768 10.695 3.130
91 HG3 GLN 11 3HG GLN 11 8.942 12.223 3.432
92 HE21 GLN 11 1HE2 GLN 11 8.691 12.504 5.522
93 HE22 GLN 11 2HE2 GLN 11 8.210 11.300 6.664
94 H THR 12 H THR 12 6.700 12.991 0.700
95 HA THR 12 HA THR 12 7.635 15.286 1.979
96 HB THR 12 HB THR 12 6.116 15.025 -0.621
97 HG1 THR 12 HG1 THR 12 8.406 15.473 -1.338
98 HG21 THR 12 1HG2 THR 12 5.886 17.261 -0.447
99 HG22 THR 12 2HG2 THR 12 7.600 17.292 -0.860
100 HG23 THR 12 3HG2 THR 12 7.098 17.386 0.828
101 H ALA 13 H ALA 13 4.322 14.502 0.930
102 HA ALA 13 HA ALA 13 3.032 16.804 1.733
103 HB1 ALA 13 1HB ALA 13 2.226 13.998 1.312
104 HB2 ALA 13 2HB ALA 13 1.128 14.987 2.276
105 HB3 ALA 13 3HB ALA 13 1.560 15.487 0.640
106 H LYS 14 H LYS 14 3.772 13.923 3.669
107 HA LYS 14 HA LYS 14 2.540 14.895 6.042
108 HB2 LYS 14 2HB LYS 14 4.291 12.607 5.314
109 HB3 LYS 14 3HB LYS 14 4.251 13.074 7.009
110 HG2 LYS 14 2HG LYS 14 1.581 12.968 6.003
111 HG3 LYS 14 3HG LYS 14 2.421 11.467 5.605
112 HD2 LYS 14 2HD LYS 14 3.215 11.648 8.113
113 HD3 LYS 14 3HD LYS 14 1.759 12.634 8.266
114 HE2 LYS 14 2HE LYS 14 1.392 10.120 6.797
115 HE3 LYS 14 3HE LYS 14 1.840 9.921 8.490
116 HZ1 LYS 14 1HZ LYS 14 -0.042 11.118 9.186
117 HZ2 LYS 14 2HZ LYS 14 -0.608 10.055 7.998
118 HZ3 LYS 14 3HZ LYS 14 -0.373 11.689 7.628
119 H ASN 15 H ASN 15 5.906 14.774 4.917
120 HA ASN 15 HA ASN 15 7.136 15.828 7.178
121 HB2 ASN 15 2HB ASN 15 8.456 14.873 5.399
122 HB3 ASN 15 3HB ASN 15 7.884 16.089 4.260
123 HD21 ASN 15 1HD2 ASN 15 9.232 16.159 7.545
124 HD22 ASN 15 2HD2 ASN 15 10.458 17.325 7.198
125 H ILE 16 H ILE 16 5.175 17.365 4.793
126 HA ILE 16 HA ILE 16 6.088 20.036 5.252
127 HB ILE 16 HB ILE 16 3.550 18.997 3.991
128 HG12 ILE 16 2HG1 ILE 16 5.666 20.438 2.477
129 HG13 ILE 16 3HG1 ILE 16 6.031 18.797 2.998
130 HG21 ILE 16 1HG2 ILE 16 3.040 21.165 4.811
131 HG22 ILE 16 2HG2 ILE 16 4.588 21.807 4.264
132 HG23 ILE 16 3HG2 ILE 16 3.363 21.336 3.086
133 HD11 ILE 16 1HD1 ILE 16 4.481 19.672 0.782
134 HD12 ILE 16 2HD1 ILE 16 4.928 18.030 1.247
135 HD13 ILE 16 3HD1 ILE 16 3.447 18.753 1.875
136 H THR 17 H THR 17 3.130 18.284 6.200
137 HA THR 17 HA THR 17 2.259 20.381 7.945
138 HB THR 17 HB THR 17 1.163 17.664 8.357
139 HG1 THR 17 HG1 THR 17 1.346 17.468 6.175
140 HG21 THR 17 1HG2 THR 17 -0.972 19.021 7.999
141 HG22 THR 17 2HG2 THR 17 0.073 20.442 7.972
142 HG23 THR 17 3HG2 THR 17 0.005 19.424 9.410
143 H GLU 18 H GLU 18 4.437 17.772 8.237
144 HA GLU 18 HA GLU 18 4.161 17.474 11.098
145 HB2 GLU 18 2HB GLU 18 6.044 16.327 9.049
146 HB3 GLU 18 3HB GLU 18 6.300 16.084 10.772
147 HG2 GLU 18 2HG GLU 18 3.607 15.454 9.746
148 HG3 GLU 18 3HG GLU 18 4.918 14.394 9.230
149 H ARG 19 H ARG 19 6.135 19.270 8.861
150 HA ARG 19 HA ARG 19 8.110 20.011 10.822
151 HB2 ARG 19 2HB ARG 19 8.865 19.895 8.567
152 HB3 ARG 19 3HB ARG 19 7.552 20.920 8.003
153 HG2 ARG 19 2HG ARG 19 8.511 22.833 9.123
154 HG3 ARG 19 3HG ARG 19 9.784 21.822 9.811
155 HD2 ARG 19 2HD ARG 19 9.681 21.477 6.964
156 HD3 ARG 19 3HD ARG 19 9.805 23.191 7.358
157 HE ARG 19 HE ARG 19 11.669 21.800 8.908
158 HH11 ARG 19 1HH1 ARG 19 12.735 22.555 5.124
159 HH12 ARG 19 2HH1 ARG 19 11.061 22.581 5.570
160 HH21 ARG 19 1HH2 ARG 19 14.335 22.088 6.696
161 HH22 ARG 19 2HH2 ARG 19 13.876 21.762 8.333
162 H VAL 20 H VAL 20 5.179 21.385 9.477
163 HA VAL 20 HA VAL 20 5.530 24.002 10.537
164 HB VAL 20 HB VAL 20 4.011 23.608 8.674
165 HG11 VAL 20 1HG1 VAL 20 2.264 22.126 10.635
166 HG12 VAL 20 2HG1 VAL 20 1.921 22.430 8.931
167 HG13 VAL 20 3HG1 VAL 20 3.250 21.364 9.388
168 HG21 VAL 20 1HG2 VAL 20 1.987 24.788 9.611
169 HG22 VAL 20 2HG2 VAL 20 2.743 24.648 11.198
170 HG23 VAL 20 3HG2 VAL 20 3.538 25.568 9.921
171 H SER 21 H SER 21 3.956 21.069 11.700
172 HA SER 21 HA SER 21 2.750 22.280 13.977
173 HB2 SER 21 2HB SER 21 3.277 19.444 13.135
174 HB3 SER 21 3HB SER 21 2.675 19.797 14.754
175 HG SER 21 HG SER 21 0.786 19.949 13.873
176 H MET 22 H MET 22 5.801 20.617 13.393
177 HA MET 22 HA MET 22 6.659 20.298 16.025
178 HB2 MET 22 2HB MET 22 7.704 19.673 13.619
179 HB3 MET 22 3HB MET 22 8.711 21.056 14.028
180 HG2 MET 22 2HG MET 22 9.613 20.009 15.892
181 HG3 MET 22 3HG MET 22 8.307 18.830 15.980
182 HE1 MET 22 1HE MET 22 11.791 18.769 12.968
183 HE2 MET 22 2HE MET 22 10.730 20.154 13.227
184 HE3 MET 22 3HE MET 22 11.841 19.645 14.499
185 H ALA 23 H ALA 23 6.982 23.066 13.843
186 HA ALA 23 HA ALA 23 8.580 24.646 15.555
187 HB1 ALA 23 1HB ALA 23 7.279 26.495 14.067
188 HB2 ALA 23 2HB ALA 23 8.684 25.583 13.513
189 HB3 ALA 23 3HB ALA 23 7.060 25.054 13.073
190 H THR 24 H THR 24 5.076 24.755 14.895
191 HA THR 24 HA THR 24 4.388 26.764 16.672
192 HB THR 24 HB THR 24 2.294 24.862 16.775
193 HG1 THR 24 HG1 THR 24 3.154 25.147 14.097
194 HG21 THR 24 1HG2 THR 24 1.646 26.583 14.737
195 HG22 THR 24 2HG2 THR 24 2.851 27.500 15.642
196 HG23 THR 24 3HG2 THR 24 1.406 26.899 16.455
197 H ALA 25 H ALA 25 4.757 23.294 17.261
198 HA ALA 25 HA ALA 25 3.845 23.311 19.934
199 HB1 ALA 25 1HB ALA 25 5.898 21.321 19.246
200 HB2 ALA 25 2HB ALA 25 4.275 21.103 19.904
201 HB3 ALA 25 3HB ALA 25 4.498 21.364 18.174
202 H SER 26 H SER 26 7.068 23.654 18.508
203 HA SER 26 HA SER 26 8.515 23.662 20.924
204 HB2 SER 26 2HB SER 26 9.142 24.875 18.225
205 HB3 SER 26 3HB SER 26 10.291 24.819 19.562
206 HG SER 26 HG SER 26 10.643 23.030 18.289
207 H SER 27 H SER 27 6.422 25.964 19.559
208 HA SER 27 HA SER 27 7.598 28.171 21.085
209 HB2 SER 27 2HB SER 27 7.024 28.661 18.759
210 HB3 SER 27 3HB SER 27 5.357 28.162 19.048
211 HG SER 27 HG SER 27 6.537 30.542 19.532
212 H GLN 28 H GLN 28 5.142 25.840 21.274
213 HA GLN 28 HA GLN 28 3.510 25.424 22.802
214 HB2 GLN 28 2HB GLN 28 5.443 26.310 24.313
215 HB3 GLN 28 3HB GLN 28 4.438 27.746 24.457
216 HG2 GLN 28 2HG GLN 28 2.863 25.392 24.909
217 HG3 GLN 28 3HG GLN 28 4.285 25.388 25.951
218 HE21 GLN 28 1HE2 GLN 28 1.166 26.240 25.848
219 HE22 GLN 28 2HE2 GLN 28 1.163 27.558 26.965
220 H VAL 29 H VAL 29 2.482 26.618 20.756
221 HA VAL 29 HA VAL 29 0.729 28.711 21.864
222 HB VAL 29 HB VAL 29 2.417 29.550 20.155
223 HG11 VAL 29 1HG1 VAL 29 0.710 28.624 17.956
224 HG12 VAL 29 2HG1 VAL 29 2.465 28.786 18.043
225 HG13 VAL 29 3HG1 VAL 29 1.675 27.362 18.722
226 HG21 VAL 29 1HG2 VAL 29 0.925 31.132 19.332
227 HG22 VAL 29 2HG2 VAL 29 -0.397 29.970 19.215
228 HG23 VAL 29 3HG2 VAL 29 0.126 30.554 20.795
229 H LEU 30 H LEU 30 0.517 25.719 21.500
230 HA LEU 30 HA LEU 30 -1.712 25.557 19.610
231 HB2 LEU 30 2HB LEU 30 -0.091 23.475 21.051
232 HB3 LEU 30 3HB LEU 30 -1.553 23.085 20.147
233 HG LEU 30 HG LEU 30 -0.350 24.201 18.154
234 HD11 LEU 30 1HD1 LEU 30 1.524 25.231 18.980
235 HD12 LEU 30 2HD1 LEU 30 2.199 23.684 18.467
236 HD13 LEU 30 3HD1 LEU 30 1.832 23.965 20.169
237 HD21 LEU 30 1HD2 LEU 30 -0.690 21.957 17.869
238 HD22 LEU 30 2HD2 LEU 30 0.143 21.526 19.363
239 HD23 LEU 30 3HD2 LEU 30 1.072 21.995 17.938
240 H ILE 31 H ILE 31 -2.425 27.072 21.701
241 HA ILE 31 HA ILE 31 -4.380 25.375 23.057
242 HB ILE 31 HB ILE 31 -3.997 26.591 25.204
243 HG12 ILE 31 2HG1 ILE 31 -1.266 27.288 24.847
244 HG13 ILE 31 3HG1 ILE 31 -2.177 28.064 23.556
245 HG21 ILE 31 1HG2 ILE 31 -3.141 24.312 24.770
246 HG22 ILE 31 2HG2 ILE 31 -1.616 25.017 24.235
247 HG23 ILE 31 3HG2 ILE 31 -2.143 25.218 25.906
248 HD11 ILE 31 1HD1 ILE 31 -3.354 29.389 25.000
249 HD12 ILE 31 2HD1 ILE 31 -3.178 28.265 26.349
250 HD13 ILE 31 3HD1 ILE 31 -1.811 29.259 25.845
251 HA PRO 32 HA PRO 32 -7.171 28.649 22.180
252 HB2 PRO 32 2HB PRO 32 -8.923 28.404 24.239
253 HB3 PRO 32 3HB PRO 32 -8.846 27.251 22.901
254 HG2 PRO 32 2HG PRO 32 -7.672 27.047 25.648
255 HG3 PRO 32 3HG PRO 32 -8.516 25.811 24.697
256 HD2 PRO 32 2HD PRO 32 -5.817 25.901 24.902
257 HD3 PRO 32 3HD PRO 32 -6.645 25.318 23.444
258 H GLU 33 H GLU 33 -8.100 30.659 23.038
259 HA GLU 33 HA GLU 33 -7.446 31.772 25.515
260 HB2 GLU 33 2HB GLU 33 -5.273 31.778 23.626
261 HB3 GLU 33 3HB GLU 33 -5.771 33.429 23.968
262 HG2 GLU 33 2HG GLU 33 -5.418 31.603 26.272
263 HG3 GLU 33 3HG GLU 33 -3.970 32.152 25.430
264 H ILE 34 H ILE 34 -7.156 33.133 22.234
265 HA ILE 34 HA ILE 34 -9.739 34.443 22.527
266 HB ILE 34 HB ILE 34 -7.209 36.022 22.047
267 HG12 ILE 34 2HG1 ILE 34 -9.160 36.059 24.360
268 HG13 ILE 34 3HG1 ILE 34 -7.526 35.406 24.404
269 HG21 ILE 34 1HG2 ILE 34 -9.475 37.661 22.530
270 HG22 ILE 34 2HG2 ILE 34 -8.474 37.566 21.082
271 HG23 ILE 34 3HG2 ILE 34 -9.885 36.520 21.249
272 HD11 ILE 34 1HD1 ILE 34 -8.406 38.067 24.872
273 HD12 ILE 34 2HD1 ILE 34 -6.782 37.392 25.012
274 HD13 ILE 34 3HD1 ILE 34 -7.331 38.058 23.474
275 H ASN 35 H ASN 35 -6.913 34.978 20.427
276 HA ASN 35 HA ASN 35 -8.556 34.100 18.144
277 HB2 ASN 35 2HB ASN 35 -6.456 36.261 17.981
278 HB3 ASN 35 3HB ASN 35 -7.681 35.846 16.786
279 HD21 ASN 35 1HD2 ASN 35 -6.913 38.254 18.600
280 HD22 ASN 35 2HD2 ASN 35 -8.452 38.805 19.161
281 H LEU 36 H LEU 36 -6.703 32.534 19.719
282 HA LEU 36 HA LEU 36 -4.313 32.251 18.110
283 HB2 LEU 36 2HB LEU 36 -4.286 31.966 20.567
284 HB3 LEU 36 3HB LEU 36 -5.318 30.549 20.386
285 HG LEU 36 HG LEU 36 -2.677 30.628 18.992
286 HD11 LEU 36 1HD1 LEU 36 -3.140 30.418 21.919
287 HD12 LEU 36 2HD1 LEU 36 -1.781 31.109 21.033
288 HD13 LEU 36 3HD1 LEU 36 -1.938 29.358 21.182
289 HD21 LEU 36 1HD2 LEU 36 -4.772 28.752 19.400
290 HD22 LEU 36 2HD2 LEU 36 -3.327 28.154 20.216
291 HD23 LEU 36 3HD2 LEU 36 -3.270 28.550 18.497
292 H ASN 37 H ASN 37 -7.249 30.385 18.791
293 HA ASN 37 HA ASN 37 -6.644 28.112 17.293
294 HB2 ASN 37 2HB ASN 37 -8.598 28.463 18.887
295 HB3 ASN 37 3HB ASN 37 -9.413 29.284 17.559
296 HD21 ASN 37 1HD2 ASN 37 -7.876 26.244 18.470
297 HD22 ASN 37 2HD2 ASN 37 -8.851 25.240 17.456
298 H ASP 38 H ASP 38 -7.418 31.292 16.277
299 HA ASP 38 HA ASP 38 -8.324 30.536 13.641
300 HB2 ASP 38 2HB ASP 38 -9.287 32.537 14.432
301 HB3 ASP 38 3HB ASP 38 -7.736 33.166 14.981
302 H THR 39 H THR 39 -5.467 32.214 14.952
303 HA THR 39 HA THR 39 -4.045 32.452 12.571
304 HB THR 39 HB THR 39 -2.368 31.879 14.916
305 HG1 THR 39 HG1 THR 39 -3.373 33.131 16.292
306 HG21 THR 39 1HG2 THR 39 -1.790 34.381 14.278
307 HG22 THR 39 2HG2 THR 39 -2.635 33.949 12.792
308 HG23 THR 39 3HG2 THR 39 -1.219 33.030 13.301
309 H PHE 40 H PHE 40 -3.944 29.850 14.994
310 HA PHE 40 HA PHE 40 -1.989 28.282 13.748
311 HB2 PHE 40 2HB PHE 40 -2.924 28.023 16.098
312 HB3 PHE 40 3HB PHE 40 -4.293 27.193 15.365
313 HD1 PHE 40 HD1 PHE 40 -0.673 27.005 14.539
314 HD2 PHE 40 HD2 PHE 40 -4.108 24.987 16.036
315 HE1 PHE 40 HE1 PHE 40 0.591 24.894 14.583
316 HE2 PHE 40 HE2 PHE 40 -2.850 22.873 16.084
317 HZ PHE 40 HZ PHE 40 -0.497 22.825 15.358
318 H ASP 41 H ASP 41 -5.516 28.264 13.428
319 HA ASP 41 HA ASP 41 -5.767 26.041 11.762
320 HB2 ASP 41 2HB ASP 41 -7.438 28.226 12.638
321 HB3 ASP 41 3HB ASP 41 -7.724 27.883 10.934
322 H THR 42 H THR 42 -5.780 29.468 10.763
323 HA THR 42 HA THR 42 -5.636 29.017 8.019
324 HB THR 42 HB THR 42 -5.939 31.241 9.446
325 HG1 THR 42 HG1 THR 42 -6.355 31.747 7.439
326 HG21 THR 42 1HG2 THR 42 -3.408 31.028 10.030
327 HG22 THR 42 2HG2 THR 42 -4.076 32.608 9.623
328 HG23 THR 42 3HG2 THR 42 -3.166 31.698 8.418
329 H PHE 43 H PHE 43 -3.203 28.743 10.441
330 HA PHE 43 HA PHE 43 -0.949 29.041 8.701
331 HB2 PHE 43 2HB PHE 43 -0.922 29.396 11.202
332 HB3 PHE 43 3HB PHE 43 -1.014 27.647 11.380
333 HD1 PHE 43 HD1 PHE 43 1.044 27.166 12.379
334 HD2 PHE 43 HD2 PHE 43 0.914 29.537 8.847
335 HE1 PHE 43 HE1 PHE 43 3.493 27.019 12.195
336 HE2 PHE 43 HE2 PHE 43 3.363 29.393 8.656
337 HZ PHE 43 HZ PHE 43 4.656 28.132 10.331
338 H ALA 44 H ALA 44 -2.407 26.221 10.325
339 HA ALA 44 HA ALA 44 -0.829 24.320 8.927
340 HB1 ALA 44 1HB ALA 44 -2.985 22.885 9.738
341 HB2 ALA 44 2HB ALA 44 -1.597 23.270 10.757
342 HB3 ALA 44 3HB ALA 44 -3.053 24.261 10.840
343 H LEU 45 H LEU 45 -4.182 25.431 8.522
344 HA LEU 45 HA LEU 45 -5.041 23.794 6.506
345 HB2 LEU 45 2HB LEU 45 -6.138 25.852 7.728
346 HB3 LEU 45 3HB LEU 45 -5.619 26.707 6.277
347 HG LEU 45 HG LEU 45 -7.871 26.115 5.918
348 HD11 LEU 45 1HD1 LEU 45 -6.209 25.609 4.077
349 HD12 LEU 45 2HD1 LEU 45 -7.772 24.801 3.966
350 HD13 LEU 45 3HD1 LEU 45 -6.360 23.913 4.539
351 HD21 LEU 45 1HD2 LEU 45 -8.194 23.412 6.012
352 HD22 LEU 45 2HD2 LEU 45 -8.665 24.532 7.291
353 HD23 LEU 45 3HD2 LEU 45 -7.116 23.692 7.380
354 H ASP 46 H ASP 46 -3.535 26.986 5.967
355 HA ASP 46 HA ASP 46 -3.297 26.922 3.241
356 HB2 ASP 46 2HB ASP 46 -2.409 28.595 5.213
357 HB3 ASP 46 3HB ASP 46 -0.893 27.958 4.583
358 H PHE 47 H PHE 47 -0.977 25.613 5.595
359 HA PHE 47 HA PHE 47 0.945 24.708 3.798
360 HB2 PHE 47 2HB PHE 47 0.289 24.278 6.598
361 HB3 PHE 47 3HB PHE 47 0.938 22.823 5.849
362 HD1 PHE 47 HD1 PHE 47 2.990 23.546 4.124
363 HD2 PHE 47 HD2 PHE 47 1.861 25.468 7.750
364 HE1 PHE 47 HE1 PHE 47 5.270 24.443 4.355
365 HE2 PHE 47 HE2 PHE 47 4.138 26.368 7.986
366 HZ PHE 47 HZ PHE 47 5.846 25.857 6.287
367 H SER 48 H SER 48 -1.775 22.899 5.219
368 HA SER 48 HA SER 48 -1.384 20.471 3.963
369 HB2 SER 48 2HB SER 48 -3.077 20.869 5.722
370 HB3 SER 48 3HB SER 48 -4.049 21.779 4.565
371 HG SER 48 HG SER 48 -4.816 19.689 4.613
372 H ARG 49 H ARG 49 -3.170 23.297 2.773
373 HA ARG 49 HA ARG 49 -4.266 22.326 0.466
374 HB2 ARG 49 2HB ARG 49 -4.297 24.718 1.452
375 HB3 ARG 49 3HB ARG 49 -2.859 24.982 0.473
376 HG2 ARG 49 2HG ARG 49 -5.047 23.778 -1.022
377 HG3 ARG 49 3HG ARG 49 -5.451 25.353 -0.336
378 HD2 ARG 49 2HD ARG 49 -3.273 26.188 -1.318
379 HD3 ARG 49 3HD ARG 49 -3.190 24.662 -2.197
380 HE ARG 49 HE ARG 49 -5.681 26.013 -2.579
381 HH11 ARG 49 1HH1 ARG 49 -2.681 26.542 -5.178
382 HH12 ARG 49 2HH1 ARG 49 -2.359 25.873 -3.612
383 HH21 ARG 49 1HH2 ARG 49 -4.820 27.123 -5.759
384 HH22 ARG 49 2HH2 ARG 49 -6.118 26.894 -4.637
385 H GLU 50 H GLU 50 -0.917 23.359 0.966
386 HA GLU 50 HA GLU 50 -0.170 22.833 -1.762
387 HB2 GLU 50 2HB GLU 50 0.887 24.413 0.161
388 HB3 GLU 50 3HB GLU 50 1.936 23.011 0.309
389 HG2 GLU 50 2HG GLU 50 1.756 23.503 -2.429
390 HG3 GLU 50 3HG GLU 50 1.921 25.088 -1.677
391 H LYS 51 H LYS 51 -0.141 21.107 1.265
392 HA LYS 51 HA LYS 51 1.707 19.093 0.650
393 HB2 LYS 51 2HB LYS 51 1.063 18.141 2.610
394 HB3 LYS 51 3HB LYS 51 0.291 19.703 2.846
395 HG2 LYS 51 2HG LYS 51 -1.463 18.362 3.348
396 HG3 LYS 51 3HG LYS 51 -1.707 18.481 1.604
397 HD2 LYS 51 2HD LYS 51 -0.204 16.381 1.485
398 HD3 LYS 51 3HD LYS 51 -0.569 16.214 3.204
399 HE2 LYS 51 2HE LYS 51 -2.985 16.272 2.641
400 HE3 LYS 51 3HE LYS 51 -2.552 16.302 0.932
401 HZ1 LYS 51 1HZ LYS 51 -3.105 14.065 1.780
402 HZ2 LYS 51 2HZ LYS 51 -1.768 14.143 2.812
403 HZ3 LYS 51 3HZ LYS 51 -1.544 14.160 1.136
404 H LYS 52 H LYS 52 -1.603 19.560 -0.316
405 HA LYS 52 HA LYS 52 -1.919 16.863 -1.307
406 HB2 LYS 52 2HB LYS 52 -3.880 17.972 -0.450
407 HB3 LYS 52 3HB LYS 52 -3.643 19.333 -1.539
408 HG2 LYS 52 2HG LYS 52 -5.406 18.009 -2.414
409 HG3 LYS 52 3HG LYS 52 -3.998 17.763 -3.449
410 HD2 LYS 52 2HD LYS 52 -3.552 15.637 -2.473
411 HD3 LYS 52 3HD LYS 52 -4.734 15.910 -1.190
412 HE2 LYS 52 2HE LYS 52 -6.406 16.143 -3.184
413 HE3 LYS 52 3HE LYS 52 -5.171 15.251 -4.071
414 HZ1 LYS 52 1HZ LYS 52 -5.311 13.479 -2.464
415 HZ2 LYS 52 2HZ LYS 52 -6.851 13.793 -3.089
416 HZ3 LYS 52 3HZ LYS 52 -6.438 14.342 -1.543
417 H LEU 53 H LEU 53 -1.800 20.106 -2.785
418 HA LEU 53 HA LEU 53 -1.842 19.360 -5.444
419 HB2 LEU 53 2HB LEU 53 -1.958 21.680 -4.569
420 HB3 LEU 53 3HB LEU 53 -0.224 21.612 -4.262
421 HG LEU 53 HG LEU 53 0.183 21.369 -6.671
422 HD11 LEU 53 1HD1 LEU 53 -2.779 21.238 -6.721
423 HD12 LEU 53 2HD1 LEU 53 -1.588 20.390 -7.706
424 HD13 LEU 53 3HD1 LEU 53 -1.972 22.077 -8.046
425 HD21 LEU 53 1HD2 LEU 53 -1.609 23.740 -6.254
426 HD22 LEU 53 2HD2 LEU 53 -0.136 23.622 -7.217
427 HD23 LEU 53 3HD2 LEU 53 -0.042 23.608 -5.455
428 H LEU 54 H LEU 54 0.740 19.113 -3.135
429 HA LEU 54 HA LEU 54 2.837 18.753 -5.048
430 HB2 LEU 54 2HB LEU 54 3.313 19.565 -2.813
431 HB3 LEU 54 3HB LEU 54 2.683 18.074 -2.115
432 HG LEU 54 HG LEU 54 5.244 18.428 -2.281
433 HD11 LEU 54 1HD1 LEU 54 4.279 15.826 -3.399
434 HD12 LEU 54 2HD1 LEU 54 3.867 16.312 -1.755
435 HD13 LEU 54 3HD1 LEU 54 5.557 16.131 -2.223
436 HD21 LEU 54 1HD2 LEU 54 4.800 17.300 -5.028
437 HD22 LEU 54 2HD2 LEU 54 6.299 17.880 -4.303
438 HD23 LEU 54 3HD2 LEU 54 5.034 19.025 -4.750
439 H GLU 55 H GLU 55 1.268 16.495 -2.770
440 HA GLU 55 HA GLU 55 2.416 14.158 -3.738
441 HB2 GLU 55 2HB GLU 55 1.026 14.468 -1.633
442 HB3 GLU 55 3HB GLU 55 -0.394 14.339 -2.660
443 HG2 GLU 55 2HG GLU 55 0.794 12.121 -3.439
444 HG3 GLU 55 3HG GLU 55 1.567 12.260 -1.861
445 H CYS 56 H CYS 56 -0.625 15.722 -4.691
446 HA CYS 56 HA CYS 56 -0.563 14.126 -7.164
447 HB2 CYS 56 2HB CYS 56 -2.434 13.750 -5.240
448 HB3 CYS 56 3HB CYS 56 -3.215 15.004 -6.194
449 HG CYS 56 HG CYS 56 -3.557 13.593 -8.438
450 H LEU 57 H LEU 57 -0.086 15.479 -8.761
451 HA LEU 57 HA LEU 57 -0.354 18.260 -8.692
452 HB2 LEU 57 2HB LEU 57 -0.030 18.133 -11.161
453 HB3 LEU 57 3HB LEU 57 1.184 17.280 -10.210
454 HG LEU 57 HG LEU 57 -1.060 15.615 -11.123
455 HD11 LEU 57 1HD1 LEU 57 -0.534 15.550 -13.397
456 HD12 LEU 57 2HD1 LEU 57 0.962 16.455 -13.173
457 HD13 LEU 57 3HD1 LEU 57 -0.593 17.272 -13.017
458 HD21 LEU 57 1HD2 LEU 57 1.202 14.405 -11.924
459 HD22 LEU 57 2HD2 LEU 57 0.561 14.284 -10.285
460 HD23 LEU 57 3HD2 LEU 57 1.847 15.437 -10.647
461 H ASP 58 H ASP 58 -1.799 19.679 -9.713
462 HA ASP 58 HA ASP 58 -4.232 18.633 -10.889
463 HB2 ASP 58 2HB ASP 58 -4.164 19.230 -8.132
464 HB3 ASP 58 3HB ASP 58 -5.036 20.554 -8.901
465 H TYR 59 H TYR 59 -4.948 19.948 -12.447
466 HA TYR 59 HA TYR 59 -3.516 22.342 -13.051
467 HB2 TYR 59 2HB TYR 59 -5.776 20.836 -14.299
468 HB3 TYR 59 3HB TYR 59 -5.488 22.497 -14.804
469 HD1 TYR 59 HD1 TYR 59 -4.267 22.698 -16.741
470 HD2 TYR 59 HD2 TYR 59 -3.391 19.472 -14.109
471 HE1 TYR 59 HE1 TYR 59 -2.509 21.928 -18.279
472 HE2 TYR 59 HE2 TYR 59 -1.630 18.694 -15.639
473 HH TYR 59 HH TYR 59 -0.165 19.693 -17.420
474 H LEU 60 H LEU 60 -3.950 24.372 -12.488
475 HA LEU 60 HA LEU 60 -6.071 24.967 -10.685
476 HB2 LEU 60 2HB LEU 60 -5.263 27.296 -10.878
477 HB3 LEU 60 3HB LEU 60 -3.996 26.137 -10.479
478 HG LEU 60 HG LEU 60 -3.707 26.237 -13.154
479 HD11 LEU 60 1HD1 LEU 60 -5.530 28.248 -12.749
480 HD12 LEU 60 2HD1 LEU 60 -4.460 28.090 -14.142
481 HD13 LEU 60 3HD1 LEU 60 -3.993 29.111 -12.782
482 HD21 LEU 60 1HD2 LEU 60 -2.512 28.211 -11.211
483 HD22 LEU 60 2HD2 LEU 60 -1.824 27.707 -12.756
484 HD23 LEU 60 3HD2 LEU 60 -1.971 26.547 -11.434
Start of MODEL 5
1 H LEU 1 H LEU 1 3.391 -4.897 -4.733
2 HA LEU 1 HA LEU 1 3.852 -2.571 -5.218
3 HB2 LEU 1 2HB LEU 1 1.743 -3.001 -4.055
4 HB3 LEU 1 3HB LEU 1 2.569 -2.862 -2.505
5 HG LEU 1 HG LEU 1 3.129 -0.458 -3.736
6 HD11 LEU 1 1HD1 LEU 1 1.252 -1.345 -5.366
7 HD12 LEU 1 2HD1 LEU 1 1.327 0.347 -4.877
8 HD13 LEU 1 3HD1 LEU 1 0.193 -0.749 -4.087
9 HD21 LEU 1 1HD2 LEU 1 0.724 -0.803 -1.991
10 HD22 LEU 1 2HD2 LEU 1 1.944 0.471 -1.978
11 HD23 LEU 1 3HD2 LEU 1 2.338 -1.135 -1.362
12 H LYS 2 H LYS 2 6.093 -2.208 -5.162
13 HA LYS 2 HA LYS 2 7.413 -1.715 -2.639
14 HB2 LYS 2 2HB LYS 2 9.388 -1.241 -4.005
15 HB3 LYS 2 3HB LYS 2 8.641 -2.760 -4.482
16 HG2 LYS 2 2HG LYS 2 8.403 -2.055 -6.566
17 HG3 LYS 2 3HG LYS 2 7.558 -0.600 -6.030
18 HD2 LYS 2 2HD LYS 2 9.391 0.683 -6.241
19 HD3 LYS 2 3HD LYS 2 10.451 -0.555 -5.561
20 HE2 LYS 2 2HE LYS 2 9.821 -1.680 -7.940
21 HE3 LYS 2 3HE LYS 2 9.765 0.030 -8.365
22 HZ1 LYS 2 1HZ LYS 2 11.959 -0.537 -8.731
23 HZ2 LYS 2 2HZ LYS 2 12.047 -1.555 -7.384
24 HZ3 LYS 2 3HZ LYS 2 12.024 0.123 -7.175
25 H GLU 3 H GLU 3 8.648 0.332 -2.312
26 HA GLU 3 HA GLU 3 6.871 2.584 -2.746
27 HB2 GLU 3 2HB GLU 3 9.447 2.369 -1.178
28 HB3 GLU 3 3HB GLU 3 8.400 3.781 -1.213
29 HG2 GLU 3 2HG GLU 3 7.589 1.059 -0.217
30 HG3 GLU 3 3HG GLU 3 8.104 2.402 0.802
31 H ASN 4 H ASN 4 7.220 4.261 -4.084
32 HA ASN 4 HA ASN 4 9.854 4.670 -5.260
33 HB2 ASN 4 2HB ASN 4 8.533 3.061 -6.725
34 HB3 ASN 4 3HB ASN 4 7.436 4.401 -7.047
35 HD21 ASN 4 1HD2 ASN 4 8.836 3.110 -9.048
36 HD22 ASN 4 2HD2 ASN 4 9.993 4.202 -9.722
37 H ASP 5 H ASP 5 6.467 5.723 -5.665
38 HA ASP 5 HA ASP 5 7.404 8.500 -5.354
39 HB2 ASP 5 2HB ASP 5 5.477 9.146 -6.819
40 HB3 ASP 5 3HB ASP 5 6.715 8.197 -7.637
41 H HIS 6 H HIS 6 5.623 6.065 -3.986
42 HA HIS 6 HA HIS 6 3.490 7.693 -2.907
43 HB2 HIS 6 2HB HIS 6 3.421 5.157 -3.464
44 HB3 HIS 6 3HB HIS 6 4.216 4.954 -1.906
45 HD1 HIS 6 HD1 HIS 6 1.179 6.923 -3.114
46 HD2 HIS 6 HD2 HIS 6 2.379 4.438 -0.009
47 HE1 HIS 6 HE1 HIS 6 -0.824 6.713 -1.610
48 H ALA 7 H ALA 7 6.640 6.563 -1.940
49 HA ALA 7 HA ALA 7 6.334 7.139 0.845
50 HB1 ALA 7 1HB ALA 7 9.057 7.195 0.276
51 HB2 ALA 7 2HB ALA 7 8.119 5.814 0.848
52 HB3 ALA 7 3HB ALA 7 8.377 6.050 -0.880
53 H ARG 8 H ARG 8 7.462 8.909 -1.967
54 HA ARG 8 HA ARG 8 8.468 11.119 -0.403
55 HB2 ARG 8 2HB ARG 8 8.773 12.200 -2.639
56 HB3 ARG 8 3HB ARG 8 9.593 10.654 -2.468
57 HG2 ARG 8 2HG ARG 8 8.391 9.696 -4.092
58 HG3 ARG 8 3HG ARG 8 6.889 10.461 -3.568
59 HD2 ARG 8 2HD ARG 8 7.138 12.209 -4.972
60 HD3 ARG 8 3HD ARG 8 8.885 12.275 -4.743
61 HE ARG 8 HE ARG 8 7.491 10.972 -6.852
62 HH11 ARG 8 1HH1 ARG 8 11.242 9.862 -6.001
63 HH12 ARG 8 2HH1 ARG 8 10.322 10.757 -4.838
64 HH21 ARG 8 1HH2 ARG 8 10.314 9.315 -8.023
65 HH22 ARG 8 2HH2 ARG 8 8.692 9.793 -8.392
66 H PHE 9 H PHE 9 5.505 10.215 -1.959
67 HA PHE 9 HA PHE 9 4.386 12.855 -2.032
68 HB2 PHE 9 2HB PHE 9 3.507 10.125 -2.718
69 HB3 PHE 9 3HB PHE 9 2.225 11.203 -2.174
70 HD1 PHE 9 HD1 PHE 9 5.231 12.253 -4.034
71 HD2 PHE 9 HD2 PHE 9 1.059 11.429 -4.216
72 HE1 PHE 9 HE1 PHE 9 5.133 13.260 -6.277
73 HE2 PHE 9 HE2 PHE 9 0.955 12.434 -6.459
74 HZ PHE 9 HZ PHE 9 2.993 13.351 -7.493
75 H LEU 10 H LEU 10 4.222 10.093 0.151
76 HA LEU 10 HA LEU 10 2.276 11.340 1.872
77 HB2 LEU 10 2HB LEU 10 3.046 8.763 1.432
78 HB3 LEU 10 3HB LEU 10 3.858 9.120 2.955
79 HG LEU 10 HG LEU 10 1.137 9.989 3.114
80 HD11 LEU 10 1HD1 LEU 10 -0.107 8.085 2.656
81 HD12 LEU 10 2HD1 LEU 10 1.316 7.047 2.593
82 HD13 LEU 10 3HD1 LEU 10 0.994 8.181 1.282
83 HD21 LEU 10 1HD2 LEU 10 1.113 8.536 5.041
84 HD22 LEU 10 2HD2 LEU 10 2.646 9.407 4.981
85 HD23 LEU 10 3HD2 LEU 10 2.571 7.716 4.482
86 H GLN 11 H GLN 11 5.742 10.579 2.071
87 HA GLN 11 HA GLN 11 6.208 11.610 4.623
88 HB2 GLN 11 2HB GLN 11 7.801 10.219 3.289
89 HB3 GLN 11 3HB GLN 11 8.140 11.633 2.300
90 HG2 GLN 11 2HG GLN 11 9.111 12.787 4.132
91 HG3 GLN 11 3HG GLN 11 8.553 11.566 5.275
92 HE21 GLN 11 1HE2 GLN 11 10.251 10.531 6.033
93 HE22 GLN 11 2HE2 GLN 11 11.574 9.926 5.101
94 H THR 12 H THR 12 6.534 13.193 1.454
95 HA THR 12 HA THR 12 7.373 15.693 2.388
96 HB THR 12 HB THR 12 5.854 14.935 -0.108
97 HG1 THR 12 HG1 THR 12 8.242 14.430 0.448
98 HG21 THR 12 1HG2 THR 12 7.000 17.314 -0.712
99 HG22 THR 12 2HG2 THR 12 6.550 17.588 0.971
100 HG23 THR 12 3HG2 THR 12 5.321 17.129 -0.207
101 H ALA 13 H ALA 13 4.091 14.659 1.443
102 HA ALA 13 HA ALA 13 2.730 16.977 2.106
103 HB1 ALA 13 1HB ALA 13 1.994 14.131 1.807
104 HB2 ALA 13 2HB ALA 13 0.852 15.156 2.677
105 HB3 ALA 13 3HB ALA 13 1.327 15.566 1.029
106 H LYS 14 H LYS 14 3.294 14.123 4.164
107 HA LYS 14 HA LYS 14 2.046 15.133 6.465
108 HB2 LYS 14 2HB LYS 14 4.070 12.995 5.940
109 HB3 LYS 14 3HB LYS 14 3.746 13.472 7.601
110 HG2 LYS 14 2HG LYS 14 1.504 12.742 5.760
111 HG3 LYS 14 3HG LYS 14 2.442 11.497 6.589
112 HD2 LYS 14 2HD LYS 14 1.596 13.660 8.353
113 HD3 LYS 14 3HD LYS 14 0.244 12.807 7.604
114 HE2 LYS 14 2HE LYS 14 2.458 11.188 8.748
115 HE3 LYS 14 3HE LYS 14 1.352 11.981 9.868
116 HZ1 LYS 14 1HZ LYS 14 -0.461 10.804 9.015
117 HZ2 LYS 14 2HZ LYS 14 0.766 9.646 9.137
118 HZ3 LYS 14 3HZ LYS 14 0.377 10.310 7.630
119 H ASN 15 H ASN 15 5.441 15.233 5.433
120 HA ASN 15 HA ASN 15 6.508 16.461 7.699
121 HB2 ASN 15 2HB ASN 15 7.850 15.465 5.860
122 HB3 ASN 15 3HB ASN 15 7.411 16.828 4.834
123 HD21 ASN 15 1HD2 ASN 15 8.577 18.639 4.940
124 HD22 ASN 15 2HD2 ASN 15 9.849 18.933 6.072
125 H ILE 16 H ILE 16 4.836 17.816 4.928
126 HA ILE 16 HA ILE 16 5.463 20.520 5.313
127 HB ILE 16 HB ILE 16 3.012 19.234 4.115
128 HG12 ILE 16 2HG1 ILE 16 5.051 20.768 2.570
129 HG13 ILE 16 3HG1 ILE 16 5.481 19.156 3.131
130 HG21 ILE 16 1HG2 ILE 16 2.106 21.276 4.526
131 HG22 ILE 16 2HG2 ILE 16 3.673 22.080 4.596
132 HG23 ILE 16 3HG2 ILE 16 2.964 21.667 3.035
133 HD11 ILE 16 1HD1 ILE 16 4.359 18.241 1.465
134 HD12 ILE 16 2HD1 ILE 16 2.888 19.094 1.933
135 HD13 ILE 16 3HD1 ILE 16 4.039 19.858 0.837
136 H THR 17 H THR 17 2.697 18.621 6.495
137 HA THR 17 HA THR 17 1.708 20.828 8.069
138 HB THR 17 HB THR 17 0.692 18.096 8.602
139 HG1 THR 17 HG1 THR 17 -0.105 17.780 6.621
140 HG21 THR 17 1HG2 THR 17 -0.669 19.640 9.593
141 HG22 THR 17 2HG2 THR 17 -1.456 19.554 8.017
142 HG23 THR 17 3HG2 THR 17 -0.341 20.872 8.375
143 H GLU 18 H GLU 18 3.921 18.253 8.503
144 HA GLU 18 HA GLU 18 3.655 18.078 11.363
145 HB2 GLU 18 2HB GLU 18 4.440 16.191 9.906
146 HB3 GLU 18 3HB GLU 18 5.925 17.090 9.632
147 HG2 GLU 18 2HG GLU 18 6.262 17.084 12.122
148 HG3 GLU 18 3HG GLU 18 4.916 15.950 12.221
149 H ARG 19 H ARG 19 5.778 19.708 9.075
150 HA ARG 19 HA ARG 19 7.630 20.657 11.013
151 HB2 ARG 19 2HB ARG 19 7.790 20.477 8.384
152 HB3 ARG 19 3HB ARG 19 7.160 22.118 8.450
153 HG2 ARG 19 2HG ARG 19 9.243 22.021 10.321
154 HG3 ARG 19 3HG ARG 19 9.829 21.176 8.886
155 HD2 ARG 19 2HD ARG 19 9.440 23.057 7.506
156 HD3 ARG 19 3HD ARG 19 8.488 23.864 8.751
157 HE ARG 19 HE ARG 19 10.429 24.683 9.622
158 HH11 ARG 19 1HH1 ARG 19 12.895 22.116 7.790
159 HH12 ARG 19 2HH1 ARG 19 11.180 21.922 7.640
160 HH21 ARG 19 1HH2 ARG 19 13.750 23.838 9.036
161 HH22 ARG 19 2HH2 ARG 19 12.685 24.950 9.828
162 H VAL 20 H VAL 20 4.830 22.121 9.394
163 HA VAL 20 HA VAL 20 5.009 24.683 10.460
164 HB VAL 20 HB VAL 20 3.439 24.212 8.696
165 HG11 VAL 20 1HG1 VAL 20 1.536 22.809 8.916
166 HG12 VAL 20 2HG1 VAL 20 2.918 21.886 9.510
167 HG13 VAL 20 3HG1 VAL 20 1.791 22.622 10.651
168 HG21 VAL 20 1HG2 VAL 20 1.417 25.293 9.598
169 HG22 VAL 20 2HG2 VAL 20 2.025 25.031 11.233
170 HG23 VAL 20 3HG2 VAL 20 2.897 26.092 10.127
171 H SER 21 H SER 21 3.382 21.812 11.767
172 HA SER 21 HA SER 21 2.219 23.004 14.007
173 HB2 SER 21 2HB SER 21 2.106 20.535 12.990
174 HB3 SER 21 3HB SER 21 3.273 20.231 14.276
175 HG SER 21 HG SER 21 0.652 20.418 14.488
176 H MET 22 H MET 22 5.283 21.182 13.838
177 HA MET 22 HA MET 22 6.108 21.677 16.458
178 HB2 MET 22 2HB MET 22 7.092 20.025 14.800
179 HB3 MET 22 3HB MET 22 7.968 21.380 14.100
180 HG2 MET 22 2HG MET 22 9.095 21.770 16.214
181 HG3 MET 22 3HG MET 22 8.186 20.454 16.955
182 HE1 MET 22 1HE MET 22 11.326 20.161 13.678
183 HE2 MET 22 2HE MET 22 10.385 21.563 14.188
184 HE3 MET 22 3HE MET 22 11.779 21.044 15.136
185 H ALA 23 H ALA 23 6.415 23.611 13.550
186 HA ALA 23 HA ALA 23 8.281 25.485 14.581
187 HB1 ALA 23 1HB ALA 23 8.018 25.275 12.209
188 HB2 ALA 23 2HB ALA 23 6.308 25.692 12.313
189 HB3 ALA 23 3HB ALA 23 7.535 26.905 12.678
190 H THR 24 H THR 24 4.782 25.840 13.965
191 HA THR 24 HA THR 24 4.432 28.292 15.207
192 HB THR 24 HB THR 24 2.292 26.206 15.426
193 HG1 THR 24 HG1 THR 24 1.854 26.915 13.129
194 HG21 THR 24 1HG2 THR 24 0.954 28.214 14.577
195 HG22 THR 24 2HG2 THR 24 2.408 29.163 14.886
196 HG23 THR 24 3HG2 THR 24 1.609 28.317 16.211
197 H ALA 25 H ALA 25 4.246 25.039 16.605
198 HA ALA 25 HA ALA 25 3.463 25.851 19.195
199 HB1 ALA 25 1HB ALA 25 3.878 23.635 19.874
200 HB2 ALA 25 2HB ALA 25 3.339 23.522 18.198
201 HB3 ALA 25 3HB ALA 25 5.053 23.375 18.584
202 H SER 26 H SER 26 6.660 24.779 18.017
203 HA SER 26 HA SER 26 8.096 25.356 20.327
204 HB2 SER 26 2HB SER 26 9.108 24.037 18.589
205 HB3 SER 26 3HB SER 26 8.972 25.361 17.432
206 HG SER 26 HG SER 26 10.805 24.963 19.479
207 H SER 27 H SER 27 6.962 27.458 17.796
208 HA SER 27 HA SER 27 8.639 29.664 18.225
209 HB2 SER 27 2HB SER 27 6.082 29.155 16.868
210 HB3 SER 27 3HB SER 27 6.268 30.808 17.454
211 HG SER 27 HG SER 27 7.348 29.707 15.300
212 H GLN 28 H GLN 28 5.491 28.840 19.644
213 HA GLN 28 HA GLN 28 6.044 30.796 21.775
214 HB2 GLN 28 2HB GLN 28 3.538 30.280 20.231
215 HB3 GLN 28 3HB GLN 28 3.410 30.784 21.911
216 HG2 GLN 28 2HG GLN 28 5.213 32.374 20.203
217 HG3 GLN 28 3HG GLN 28 3.489 32.491 19.854
218 HE21 GLN 28 1HE2 GLN 28 6.017 33.539 21.816
219 HE22 GLN 28 2HE2 GLN 28 5.086 34.409 22.982
220 H VAL 29 H VAL 29 3.513 28.345 21.324
221 HA VAL 29 HA VAL 29 4.562 26.401 23.039
222 HB VAL 29 HB VAL 29 4.359 27.990 24.836
223 HG11 VAL 29 1HG1 VAL 29 2.786 29.556 24.902
224 HG12 VAL 29 2HG1 VAL 29 2.113 28.895 23.410
225 HG13 VAL 29 3HG1 VAL 29 1.518 28.333 24.973
226 HG21 VAL 29 1HG2 VAL 29 2.103 25.990 24.950
227 HG22 VAL 29 2HG2 VAL 29 3.792 25.664 25.337
228 HG23 VAL 29 3HG2 VAL 29 2.859 26.778 26.335
229 H LEU 30 H LEU 30 1.747 28.003 21.719
230 HA LEU 30 HA LEU 30 -0.126 27.189 20.713
231 HB2 LEU 30 2HB LEU 30 1.696 25.442 19.969
232 HB3 LEU 30 3HB LEU 30 0.790 24.373 21.038
233 HG LEU 30 HG LEU 30 -1.162 25.513 19.439
234 HD11 LEU 30 1HD1 LEU 30 -0.406 25.947 17.391
235 HD12 LEU 30 2HD1 LEU 30 0.607 24.504 17.370
236 HD13 LEU 30 3HD1 LEU 30 1.206 25.990 18.107
237 HD21 LEU 30 1HD2 LEU 30 -0.637 23.096 20.269
238 HD22 LEU 30 2HD2 LEU 30 0.138 22.930 18.693
239 HD23 LEU 30 3HD2 LEU 30 -1.575 23.341 18.795
240 H ILE 31 H ILE 31 -1.343 27.823 22.545
241 HA ILE 31 HA ILE 31 -2.495 25.550 23.978
242 HB ILE 31 HB ILE 31 -2.496 26.824 26.109
243 HG12 ILE 31 2HG1 ILE 31 -0.315 28.556 25.733
244 HG13 ILE 31 3HG1 ILE 31 -1.402 28.868 24.383
245 HG21 ILE 31 1HG2 ILE 31 0.006 26.544 26.526
246 HG22 ILE 31 2HG2 ILE 31 -0.887 25.127 25.977
247 HG23 ILE 31 3HG2 ILE 31 0.107 26.037 24.840
248 HD11 ILE 31 1HD1 ILE 31 -1.843 29.254 27.301
249 HD12 ILE 31 2HD1 ILE 31 -2.169 30.347 25.955
250 HD13 ILE 31 3HD1 ILE 31 -3.222 28.962 26.241
251 HA PRO 32 HA PRO 32 -6.321 27.557 23.195
252 HB2 PRO 32 2HB PRO 32 -7.791 26.712 25.315
253 HB3 PRO 32 3HB PRO 32 -7.339 25.651 23.975
254 HG2 PRO 32 2HG PRO 32 -6.083 25.929 26.678
255 HG3 PRO 32 3HG PRO 32 -6.444 24.457 25.758
256 HD2 PRO 32 2HD PRO 32 -3.962 25.535 25.867
257 HD3 PRO 32 3HD PRO 32 -4.565 24.670 24.439
258 H GLU 33 H GLU 33 -6.075 29.748 23.381
259 HA GLU 33 HA GLU 33 -6.222 30.904 26.083
260 HB2 GLU 33 2HB GLU 33 -4.733 31.612 23.675
261 HB3 GLU 33 3HB GLU 33 -5.610 32.977 24.352
262 HG2 GLU 33 2HG GLU 33 -4.203 31.432 26.371
263 HG3 GLU 33 3HG GLU 33 -3.132 32.088 25.134
264 H ILE 34 H ILE 34 -7.072 32.175 22.874
265 HA ILE 34 HA ILE 34 -9.856 32.124 23.207
266 HB ILE 34 HB ILE 34 -9.537 33.711 25.004
267 HG12 ILE 34 2HG1 ILE 34 -10.556 35.071 22.500
268 HG13 ILE 34 3HG1 ILE 34 -11.493 34.015 23.551
269 HG21 ILE 34 1HG2 ILE 34 -8.430 35.823 24.731
270 HG22 ILE 34 2HG2 ILE 34 -7.327 34.542 24.231
271 HG23 ILE 34 3HG2 ILE 34 -8.162 35.510 23.016
272 HD11 ILE 34 1HD1 ILE 34 -10.554 36.802 24.018
273 HD12 ILE 34 2HD1 ILE 34 -12.154 36.097 24.249
274 HD13 ILE 34 3HD1 ILE 34 -10.859 35.737 25.390
275 H ASN 35 H ASN 35 -7.093 33.866 21.876
276 HA ASN 35 HA ASN 35 -8.519 34.003 19.304
277 HB2 ASN 35 2HB ASN 35 -7.850 36.205 20.791
278 HB3 ASN 35 3HB ASN 35 -6.456 36.055 19.725
279 HD21 ASN 35 1HD2 ASN 35 -8.425 38.139 19.761
280 HD22 ASN 35 2HD2 ASN 35 -9.186 38.140 18.210
281 H LEU 36 H LEU 36 -6.818 31.904 20.172
282 HA LEU 36 HA LEU 36 -4.484 32.298 18.416
283 HB2 LEU 36 2HB LEU 36 -3.612 31.935 20.548
284 HB3 LEU 36 3HB LEU 36 -4.834 30.729 20.943
285 HG LEU 36 HG LEU 36 -2.924 30.086 18.761
286 HD11 LEU 36 1HD1 LEU 36 -1.962 29.388 21.441
287 HD12 LEU 36 2HD1 LEU 36 -1.857 31.102 21.042
288 HD13 LEU 36 3HD1 LEU 36 -1.072 29.908 20.010
289 HD21 LEU 36 1HD2 LEU 36 -4.599 28.689 20.765
290 HD22 LEU 36 2HD2 LEU 36 -3.089 27.909 20.294
291 HD23 LEU 36 3HD2 LEU 36 -4.297 28.306 19.070
292 H ASN 37 H ASN 37 -7.368 30.575 18.933
293 HA ASN 37 HA ASN 37 -6.672 28.171 17.555
294 HB2 ASN 37 2HB ASN 37 -9.096 29.347 18.744
295 HB3 ASN 37 3HB ASN 37 -9.393 28.312 17.350
296 HD21 ASN 37 1HD2 ASN 37 -7.942 28.455 20.540
297 HD22 ASN 37 2HD2 ASN 37 -8.012 26.758 20.853
298 H ASP 38 H ASP 38 -8.494 31.088 16.652
299 HA ASP 38 HA ASP 38 -9.116 30.363 14.034
300 HB2 ASP 38 2HB ASP 38 -9.216 32.748 15.640
301 HB3 ASP 38 3HB ASP 38 -8.633 33.144 14.025
302 H THR 39 H THR 39 -6.339 32.248 15.224
303 HA THR 39 HA THR 39 -5.078 32.659 12.776
304 HB THR 39 HB THR 39 -3.161 32.189 14.913
305 HG1 THR 39 HG1 THR 39 -4.186 33.099 16.518
306 HG21 THR 39 1HG2 THR 39 -2.906 34.736 14.508
307 HG22 THR 39 2HG2 THR 39 -4.020 34.470 13.167
308 HG23 THR 39 3HG2 THR 39 -2.474 33.622 13.212
309 H PHE 40 H PHE 40 -4.529 30.058 15.149
310 HA PHE 40 HA PHE 40 -2.579 28.676 13.696
311 HB2 PHE 40 2HB PHE 40 -3.294 28.339 16.131
312 HB3 PHE 40 3HB PHE 40 -4.594 27.337 15.494
313 HD1 PHE 40 HD1 PHE 40 -1.037 27.631 14.443
314 HD2 PHE 40 HD2 PHE 40 -4.090 25.164 16.088
315 HE1 PHE 40 HE1 PHE 40 0.489 25.702 14.375
316 HE2 PHE 40 HE2 PHE 40 -2.569 23.231 16.023
317 HZ PHE 40 HZ PHE 40 -0.275 23.499 15.167
318 H ASP 41 H ASP 41 -6.104 28.352 13.712
319 HA ASP 41 HA ASP 41 -6.324 26.112 12.064
320 HB2 ASP 41 2HB ASP 41 -8.119 27.564 13.382
321 HB3 ASP 41 3HB ASP 41 -8.333 28.300 11.796
322 H THR 42 H THR 42 -6.758 29.514 11.075
323 HA THR 42 HA THR 42 -6.827 29.079 8.335
324 HB THR 42 HB THR 42 -7.130 31.278 9.818
325 HG1 THR 42 HG1 THR 42 -6.301 31.213 7.089
326 HG21 THR 42 1HG2 THR 42 -4.503 31.850 8.475
327 HG22 THR 42 2HG2 THR 42 -4.584 31.306 10.151
328 HG23 THR 42 3HG2 THR 42 -5.363 32.814 9.674
329 H PHE 43 H PHE 43 -4.130 29.094 10.508
330 HA PHE 43 HA PHE 43 -2.103 29.513 8.543
331 HB2 PHE 43 2HB PHE 43 -1.866 29.894 11.038
332 HB3 PHE 43 3HB PHE 43 -1.765 28.145 11.213
333 HD1 PHE 43 HD1 PHE 43 0.419 27.829 11.959
334 HD2 PHE 43 HD2 PHE 43 -0.304 30.255 8.537
335 HE1 PHE 43 HE1 PHE 43 2.839 27.926 11.520
336 HE2 PHE 43 HE2 PHE 43 2.114 30.354 8.092
337 HZ PHE 43 HZ PHE 43 3.688 29.188 9.584
338 H ALA 44 H ALA 44 -2.996 26.599 10.401
339 HA ALA 44 HA ALA 44 -1.452 24.785 8.965
340 HB1 ALA 44 1HB ALA 44 -2.206 23.664 10.747
341 HB2 ALA 44 2HB ALA 44 -3.672 24.640 10.858
342 HB3 ALA 44 3HB ALA 44 -3.600 23.279 9.738
343 H LEU 45 H LEU 45 -4.841 25.734 8.465
344 HA LEU 45 HA LEU 45 -5.597 24.046 6.462
345 HB2 LEU 45 2HB LEU 45 -7.284 25.450 7.080
346 HB3 LEU 45 3HB LEU 45 -6.236 26.867 7.119
347 HG LEU 45 HG LEU 45 -6.331 27.043 4.705
348 HD11 LEU 45 1HD1 LEU 45 -8.253 25.430 3.741
349 HD12 LEU 45 2HD1 LEU 45 -7.534 24.364 4.947
350 HD13 LEU 45 3HD1 LEU 45 -6.532 25.052 3.670
351 HD21 LEU 45 1HD2 LEU 45 -8.973 26.788 6.116
352 HD22 LEU 45 2HD2 LEU 45 -8.830 27.394 4.466
353 HD23 LEU 45 3HD2 LEU 45 -8.041 28.249 5.792
354 H ASP 46 H ASP 46 -4.137 27.252 5.882
355 HA ASP 46 HA ASP 46 -3.818 27.104 3.161
356 HB2 ASP 46 2HB ASP 46 -3.027 28.858 5.127
357 HB3 ASP 46 3HB ASP 46 -1.488 28.277 4.499
358 H PHE 47 H PHE 47 -1.571 25.926 5.646
359 HA PHE 47 HA PHE 47 0.457 25.038 3.950
360 HB2 PHE 47 2HB PHE 47 -0.314 24.637 6.738
361 HB3 PHE 47 3HB PHE 47 0.477 23.226 6.043
362 HD1 PHE 47 HD1 PHE 47 2.643 23.831 4.608
363 HD2 PHE 47 HD2 PHE 47 1.016 26.203 7.746
364 HE1 PHE 47 HE1 PHE 47 4.836 24.897 4.935
365 HE2 PHE 47 HE2 PHE 47 3.206 27.273 8.077
366 HZ PHE 47 HZ PHE 47 5.120 26.622 6.670
367 H SER 48 H SER 48 -2.278 23.208 5.310
368 HA SER 48 HA SER 48 -1.764 20.745 4.174
369 HB2 SER 48 2HB SER 48 -3.683 21.584 5.786
370 HB3 SER 48 3HB SER 48 -4.595 21.708 4.281
371 HG SER 48 HG SER 48 -4.917 19.663 5.042
372 H ARG 49 H ARG 49 -3.558 23.473 2.786
373 HA ARG 49 HA ARG 49 -4.486 22.360 0.458
374 HB2 ARG 49 2HB ARG 49 -5.078 24.608 0.995
375 HB3 ARG 49 3HB ARG 49 -3.397 25.123 0.978
376 HG2 ARG 49 2HG ARG 49 -4.509 25.910 -1.003
377 HG3 ARG 49 3HG ARG 49 -3.313 24.689 -1.443
378 HD2 ARG 49 2HD ARG 49 -4.870 23.350 -2.312
379 HD3 ARG 49 3HD ARG 49 -5.906 23.519 -0.895
380 HE ARG 49 HE ARG 49 -6.116 25.874 -2.353
381 HH11 ARG 49 1HH1 ARG 49 -8.175 22.773 -3.828
382 HH12 ARG 49 2HH1 ARG 49 -6.844 22.493 -2.756
383 HH21 ARG 49 1HH2 ARG 49 -8.756 24.914 -4.402
384 HH22 ARG 49 2HH2 ARG 49 -7.867 26.256 -3.764
385 H GLU 50 H GLU 50 -1.242 23.624 1.103
386 HA GLU 50 HA GLU 50 -0.261 23.228 -1.531
387 HB2 GLU 50 2HB GLU 50 0.743 24.755 0.196
388 HB3 GLU 50 3HB GLU 50 1.351 23.327 1.021
389 HG2 GLU 50 2HG GLU 50 2.652 22.737 -0.963
390 HG3 GLU 50 3HG GLU 50 2.052 24.180 -1.779
391 H LYS 51 H LYS 51 -0.399 21.225 1.344
392 HA LYS 51 HA LYS 51 1.379 19.206 0.543
393 HB2 LYS 51 2HB LYS 51 0.857 18.959 2.754
394 HB3 LYS 51 3HB LYS 51 -0.815 19.453 2.526
395 HG2 LYS 51 2HG LYS 51 -0.129 16.897 1.274
396 HG3 LYS 51 3HG LYS 51 0.006 16.917 3.033
397 HD2 LYS 51 2HD LYS 51 -2.235 17.260 3.338
398 HD3 LYS 51 3HD LYS 51 -2.423 18.112 1.803
399 HE2 LYS 51 2HE LYS 51 -3.505 15.851 1.907
400 HE3 LYS 51 3HE LYS 51 -2.373 16.078 0.574
401 HZ1 LYS 51 1HZ LYS 51 -2.334 13.986 2.237
402 HZ2 LYS 51 2HZ LYS 51 -1.215 15.000 2.998
403 HZ3 LYS 51 3HZ LYS 51 -0.980 14.540 1.387
404 H LYS 52 H LYS 52 -2.148 19.463 0.168
405 HA LYS 52 HA LYS 52 -2.585 17.023 -1.105
406 HB2 LYS 52 2HB LYS 52 -4.442 18.320 -0.297
407 HB3 LYS 52 3HB LYS 52 -4.036 19.660 -1.362
408 HG2 LYS 52 2HG LYS 52 -5.913 18.524 -2.284
409 HG3 LYS 52 3HG LYS 52 -4.514 18.175 -3.303
410 HD2 LYS 52 2HD LYS 52 -5.480 16.086 -3.077
411 HD3 LYS 52 3HD LYS 52 -4.273 16.071 -1.789
412 HE2 LYS 52 2HE LYS 52 -5.843 16.214 -0.131
413 HE3 LYS 52 3HE LYS 52 -6.997 17.075 -1.148
414 HZ1 LYS 52 1HZ LYS 52 -7.918 14.975 -0.892
415 HZ2 LYS 52 2HZ LYS 52 -6.435 14.179 -1.051
416 HZ3 LYS 52 3HZ LYS 52 -7.169 14.877 -2.406
417 H LEU 53 H LEU 53 -1.961 20.220 -2.542
418 HA LEU 53 HA LEU 53 -2.092 19.525 -5.216
419 HB2 LEU 53 2HB LEU 53 -1.803 21.822 -4.187
420 HB3 LEU 53 3HB LEU 53 -0.082 21.455 -4.084
421 HG LEU 53 HG LEU 53 -0.356 21.014 -6.665
422 HD11 LEU 53 1HD1 LEU 53 -1.981 22.926 -7.431
423 HD12 LEU 53 2HD1 LEU 53 -2.790 22.555 -5.909
424 HD13 LEU 53 3HD1 LEU 53 -2.581 21.296 -7.127
425 HD21 LEU 53 1HD2 LEU 53 -0.114 23.651 -6.869
426 HD22 LEU 53 2HD2 LEU 53 1.164 22.639 -6.194
427 HD23 LEU 53 3HD2 LEU 53 0.068 23.511 -5.121
428 H LEU 54 H LEU 54 0.395 18.866 -2.879
429 HA LEU 54 HA LEU 54 2.332 18.067 -4.881
430 HB2 LEU 54 2HB LEU 54 3.062 19.148 -2.812
431 HB3 LEU 54 3HB LEU 54 2.384 17.817 -1.876
432 HG LEU 54 HG LEU 54 4.927 17.889 -2.273
433 HD11 LEU 54 1HD1 LEU 54 4.876 15.762 -1.621
434 HD12 LEU 54 2HD1 LEU 54 4.125 15.235 -3.126
435 HD13 LEU 54 3HD1 LEU 54 3.125 15.849 -1.810
436 HD21 LEU 54 1HD2 LEU 54 4.400 16.403 -4.780
437 HD22 LEU 54 2HD2 LEU 54 5.798 17.367 -4.303
438 HD23 LEU 54 3HD2 LEU 54 4.323 18.163 -4.854
439 H GLU 55 H GLU 55 -0.164 16.631 -2.992
440 HA GLU 55 HA GLU 55 0.793 13.941 -3.713
441 HB2 GLU 55 2HB GLU 55 0.346 14.590 -1.254
442 HB3 GLU 55 3HB GLU 55 -1.356 14.506 -1.687
443 HG2 GLU 55 2HG GLU 55 -0.138 12.148 -2.643
444 HG3 GLU 55 3HG GLU 55 0.423 12.399 -0.991
445 H CYS 56 H CYS 56 -0.762 15.951 -5.337
446 HA CYS 56 HA CYS 56 -2.754 14.070 -6.300
447 HB2 CYS 56 2HB CYS 56 -3.662 15.898 -4.549
448 HB3 CYS 56 3HB CYS 56 -3.763 16.848 -6.027
449 HG CYS 56 HG CYS 56 -6.104 15.965 -6.572
450 H LEU 57 H LEU 57 -2.968 14.131 -8.469
451 HA LEU 57 HA LEU 57 -2.483 14.630 -10.635
452 HB2 LEU 57 2HB LEU 57 -2.480 17.515 -9.802
453 HB3 LEU 57 3HB LEU 57 -2.928 16.827 -11.361
454 HG LEU 57 HG LEU 57 -4.504 16.543 -8.803
455 HD11 LEU 57 1HD1 LEU 57 -4.442 18.586 -10.873
456 HD12 LEU 57 2HD1 LEU 57 -5.195 18.608 -9.279
457 HD13 LEU 57 3HD1 LEU 57 -6.043 17.882 -10.645
458 HD21 LEU 57 1HD2 LEU 57 -6.239 15.841 -10.649
459 HD22 LEU 57 2HD2 LEU 57 -5.111 14.668 -9.968
460 HD23 LEU 57 3HD2 LEU 57 -4.781 15.401 -11.539
461 H ASP 58 H ASP 58 -0.994 16.437 -11.944
462 HA ASP 58 HA ASP 58 1.577 16.726 -10.617
463 HB2 ASP 58 2HB ASP 58 2.707 15.625 -12.632
464 HB3 ASP 58 3HB ASP 58 1.934 14.554 -11.467
465 H TYR 59 H TYR 59 3.144 17.931 -11.986
466 HA TYR 59 HA TYR 59 3.698 19.763 -13.212
467 HB2 TYR 59 2HB TYR 59 1.690 18.364 -14.874
468 HB3 TYR 59 3HB TYR 59 1.981 20.050 -15.285
469 HD1 TYR 59 HD1 TYR 59 3.794 16.853 -14.652
470 HD2 TYR 59 HD2 TYR 59 3.769 20.603 -16.663
471 HE1 TYR 59 HE1 TYR 59 5.814 16.195 -15.891
472 HE2 TYR 59 HE2 TYR 59 5.788 19.954 -17.910
473 HH TYR 59 HH TYR 59 7.034 16.724 -17.837
474 H LEU 60 H LEU 60 3.093 21.121 -11.445
475 HA LEU 60 HA LEU 60 0.474 22.414 -11.643
476 HB2 LEU 60 2HB LEU 60 0.806 23.205 -9.453
477 HB3 LEU 60 3HB LEU 60 1.364 21.533 -9.457
478 HG LEU 60 HG LEU 60 3.616 23.148 -9.996
479 HD11 LEU 60 1HD1 LEU 60 3.701 24.652 -8.136
480 HD12 LEU 60 2HD1 LEU 60 2.124 24.110 -7.562
481 HD13 LEU 60 3HD1 LEU 60 2.250 25.011 -9.073
482 HD21 LEU 60 1HD2 LEU 60 2.837 21.805 -7.413
483 HD22 LEU 60 2HD2 LEU 60 4.466 22.158 -7.991
484 HD23 LEU 60 3HD2 LEU 60 3.477 20.953 -8.819
Start of MODEL 6
1 H LEU 1 H LEU 1 9.196 -0.545 1.745
2 HA LEU 1 HA LEU 1 7.496 1.582 0.778
3 HB2 LEU 1 2HB LEU 1 9.509 2.268 2.898
4 HB3 LEU 1 3HB LEU 1 8.257 3.297 2.205
5 HG LEU 1 HG LEU 1 7.644 0.894 3.914
6 HD11 LEU 1 1HD1 LEU 1 7.313 2.462 5.762
7 HD12 LEU 1 2HD1 LEU 1 7.931 3.774 4.759
8 HD13 LEU 1 3HD1 LEU 1 8.992 2.443 5.219
9 HD21 LEU 1 1HD2 LEU 1 5.861 3.242 3.703
10 HD22 LEU 1 2HD2 LEU 1 5.473 1.524 3.800
11 HD23 LEU 1 3HD2 LEU 1 6.001 2.224 2.269
12 H LYS 2 H LYS 2 8.955 0.202 -0.862
13 HA LYS 2 HA LYS 2 11.218 1.962 -1.494
14 HB2 LYS 2 2HB LYS 2 11.238 -1.023 -1.253
15 HB3 LYS 2 3HB LYS 2 12.295 -0.244 -2.423
16 HG2 LYS 2 2HG LYS 2 13.430 0.961 -0.713
17 HG3 LYS 2 3HG LYS 2 12.250 0.462 0.501
18 HD2 LYS 2 2HD LYS 2 13.316 -1.465 0.868
19 HD3 LYS 2 3HD LYS 2 13.438 -1.809 -0.859
20 HE2 LYS 2 2HE LYS 2 15.645 -1.548 -0.504
21 HE3 LYS 2 3HE LYS 2 15.264 0.170 -0.613
22 HZ1 LYS 2 1HZ LYS 2 14.794 -0.647 2.014
23 HZ2 LYS 2 2HZ LYS 2 15.986 0.411 1.450
24 HZ3 LYS 2 3HZ LYS 2 16.313 -1.244 1.569
25 H GLU 3 H GLU 3 11.370 2.535 -3.597
26 HA GLU 3 HA GLU 3 10.715 2.872 -5.752
27 HB2 GLU 3 2HB GLU 3 10.214 -0.109 -5.685
28 HB3 GLU 3 3HB GLU 3 10.417 0.874 -7.128
29 HG2 GLU 3 2HG GLU 3 12.657 0.956 -6.928
30 HG3 GLU 3 3HG GLU 3 12.608 1.006 -5.167
31 H ASN 4 H ASN 4 8.878 4.104 -5.046
32 HA ASN 4 HA ASN 4 6.398 3.005 -6.040
33 HB2 ASN 4 2HB ASN 4 6.828 3.624 -3.135
34 HB3 ASN 4 3HB ASN 4 5.237 3.850 -3.856
35 HD21 ASN 4 1HD2 ASN 4 7.209 1.717 -2.291
36 HD22 ASN 4 2HD2 ASN 4 6.408 0.242 -2.699
37 H ASP 5 H ASP 5 4.674 4.664 -6.132
38 HA ASP 5 HA ASP 5 5.857 7.334 -6.495
39 HB2 ASP 5 2HB ASP 5 3.450 6.065 -7.816
40 HB3 ASP 5 3HB ASP 5 3.955 7.735 -8.060
41 H HIS 6 H HIS 6 2.696 5.871 -5.713
42 HA HIS 6 HA HIS 6 1.537 8.136 -4.587
43 HB2 HIS 6 2HB HIS 6 0.367 5.990 -5.193
44 HB3 HIS 6 3HB HIS 6 1.013 5.291 -3.711
45 HD1 HIS 6 HD1 HIS 6 -0.613 5.340 -1.864
46 HD2 HIS 6 HD2 HIS 6 -1.146 8.541 -4.459
47 HE1 HIS 6 HE1 HIS 6 -2.577 6.623 -0.956
48 H ALA 7 H ALA 7 3.843 5.898 -3.269
49 HA ALA 7 HA ALA 7 3.466 6.488 -0.526
50 HB1 ALA 7 1HB ALA 7 5.386 5.236 -0.124
51 HB2 ALA 7 2HB ALA 7 4.742 4.533 -1.609
52 HB3 ALA 7 3HB ALA 7 6.102 5.654 -1.681
53 H ARG 8 H ARG 8 6.025 7.570 -2.771
54 HA ARG 8 HA ARG 8 7.222 9.415 -1.068
55 HB2 ARG 8 2HB ARG 8 8.322 8.738 -3.098
56 HB3 ARG 8 3HB ARG 8 7.015 9.387 -4.080
57 HG2 ARG 8 2HG ARG 8 7.943 11.400 -4.123
58 HG3 ARG 8 3HG ARG 8 8.138 11.419 -2.369
59 HD2 ARG 8 2HD ARG 8 10.204 10.179 -2.547
60 HD3 ARG 8 3HD ARG 8 9.988 10.011 -4.289
61 HE ARG 8 HE ARG 8 10.015 12.744 -3.501
62 HH11 ARG 8 1HH1 ARG 8 13.457 10.957 -4.497
63 HH12 ARG 8 2HH1 ARG 8 12.072 9.998 -4.092
64 HH21 ARG 8 1HH2 ARG 8 13.319 13.244 -4.462
65 HH22 ARG 8 2HH2 ARG 8 11.831 14.018 -4.032
66 H PHE 9 H PHE 9 4.608 9.884 -3.422
67 HA PHE 9 HA PHE 9 4.310 12.639 -3.174
68 HB2 PHE 9 2HB PHE 9 2.661 10.402 -4.135
69 HB3 PHE 9 3HB PHE 9 1.738 11.795 -3.583
70 HD1 PHE 9 HD1 PHE 9 3.024 14.109 -4.411
71 HD2 PHE 9 HD2 PHE 9 2.941 10.347 -6.400
72 HE1 PHE 9 HE1 PHE 9 3.443 15.238 -6.557
73 HE2 PHE 9 HE2 PHE 9 3.361 11.469 -8.548
74 HZ PHE 9 HZ PHE 9 3.614 13.918 -8.629
75 H LEU 10 H LEU 10 2.993 10.023 -1.209
76 HA LEU 10 HA LEU 10 1.322 11.684 0.388
77 HB2 LEU 10 2HB LEU 10 1.623 8.987 0.032
78 HB3 LEU 10 3HB LEU 10 2.308 9.228 1.638
79 HG LEU 10 HG LEU 10 -0.100 10.622 1.690
80 HD11 LEU 10 1HD1 LEU 10 -1.176 9.744 -0.113
81 HD12 LEU 10 2HD1 LEU 10 -1.566 8.507 1.081
82 HD13 LEU 10 3HD1 LEU 10 -0.259 8.238 -0.071
83 HD21 LEU 10 1HD2 LEU 10 0.803 9.404 3.549
84 HD22 LEU 10 2HD2 LEU 10 0.644 7.875 2.684
85 HD23 LEU 10 3HD2 LEU 10 -0.798 8.761 3.182
86 H GLN 11 H GLN 11 4.538 10.259 0.893
87 HA GLN 11 HA GLN 11 5.016 11.133 3.473
88 HB2 GLN 11 2HB GLN 11 6.668 10.319 1.179
89 HB3 GLN 11 3HB GLN 11 7.489 11.357 2.337
90 HG2 GLN 11 2HG GLN 11 6.424 9.646 4.056
91 HG3 GLN 11 3HG GLN 11 6.479 8.591 2.645
92 HE21 GLN 11 1HE2 GLN 11 7.977 8.542 5.189
93 HE22 GLN 11 2HE2 GLN 11 9.644 8.535 4.740
94 H THR 12 H THR 12 5.021 12.926 0.496
95 HA THR 12 HA THR 12 6.420 15.207 1.522
96 HB THR 12 HB THR 12 4.698 14.884 -0.942
97 HG1 THR 12 HG1 THR 12 6.616 14.584 -1.974
98 HG21 THR 12 1HG2 THR 12 4.614 17.156 -0.753
99 HG22 THR 12 2HG2 THR 12 6.194 17.012 -1.523
100 HG23 THR 12 3HG2 THR 12 6.081 17.239 0.221
101 H ALA 13 H ALA 13 3.015 14.699 0.574
102 HA ALA 13 HA ALA 13 1.986 17.099 1.486
103 HB1 ALA 13 1HB ALA 13 -0.078 15.387 1.964
104 HB2 ALA 13 2HB ALA 13 0.325 16.069 0.388
105 HB3 ALA 13 3HB ALA 13 0.901 14.461 0.826
106 H LYS 14 H LYS 14 2.683 14.149 3.273
107 HA LYS 14 HA LYS 14 1.457 15.072 5.703
108 HB2 LYS 14 2HB LYS 14 2.166 12.612 4.762
109 HB3 LYS 14 3HB LYS 14 3.476 12.934 5.890
110 HG2 LYS 14 2HG LYS 14 1.446 13.603 7.462
111 HG3 LYS 14 3HG LYS 14 0.595 12.477 6.401
112 HD2 LYS 14 2HD LYS 14 2.723 10.980 6.881
113 HD3 LYS 14 3HD LYS 14 2.801 11.977 8.336
114 HE2 LYS 14 2HE LYS 14 0.497 11.360 8.879
115 HE3 LYS 14 3HE LYS 14 0.415 10.371 7.422
116 HZ1 LYS 14 1HZ LYS 14 1.624 8.738 8.356
117 HZ2 LYS 14 2HZ LYS 14 1.073 9.410 9.807
118 HZ3 LYS 14 3HZ LYS 14 2.615 9.795 9.229
119 H ASN 15 H ASN 15 4.682 15.049 4.324
120 HA ASN 15 HA ASN 15 6.049 15.797 6.704
121 HB2 ASN 15 2HB ASN 15 7.286 14.750 4.920
122 HB3 ASN 15 3HB ASN 15 6.822 16.017 3.789
123 HD21 ASN 15 1HD2 ASN 15 7.890 17.950 3.805
124 HD22 ASN 15 2HD2 ASN 15 9.319 18.234 4.733
125 H ILE 16 H ILE 16 4.118 17.506 4.462
126 HA ILE 16 HA ILE 16 5.296 20.094 4.940
127 HB ILE 16 HB ILE 16 2.679 19.359 3.623
128 HG12 ILE 16 2HG1 ILE 16 4.999 20.420 2.100
129 HG13 ILE 16 3HG1 ILE 16 5.117 18.760 2.673
130 HG21 ILE 16 1HG2 ILE 16 2.755 21.649 2.709
131 HG22 ILE 16 2HG2 ILE 16 2.599 21.622 4.465
132 HG23 ILE 16 3HG2 ILE 16 4.158 21.984 3.724
133 HD11 ILE 16 1HD1 ILE 16 3.752 19.766 0.404
134 HD12 ILE 16 2HD1 ILE 16 3.907 18.096 0.952
135 HD13 ILE 16 3HD1 ILE 16 2.560 19.087 1.513
136 H THR 17 H THR 17 2.269 18.464 5.854
137 HA THR 17 HA THR 17 1.442 20.614 7.566
138 HB THR 17 HB THR 17 0.222 17.954 7.976
139 HG1 THR 17 HG1 THR 17 -0.196 17.594 5.940
140 HG21 THR 17 1HG2 THR 17 -1.280 19.376 8.824
141 HG22 THR 17 2HG2 THR 17 -1.682 19.808 7.162
142 HG23 THR 17 3HG2 THR 17 -0.500 20.761 8.060
143 H GLU 18 H GLU 18 3.474 17.882 7.896
144 HA GLU 18 HA GLU 18 3.154 17.622 10.754
145 HB2 GLU 18 2HB GLU 18 3.708 15.661 9.397
146 HB3 GLU 18 3HB GLU 18 5.202 16.428 8.878
147 HG2 GLU 18 2HG GLU 18 6.283 15.808 10.717
148 HG3 GLU 18 3HG GLU 18 4.960 16.312 11.767
149 H ARG 19 H ARG 19 5.333 19.208 8.520
150 HA ARG 19 HA ARG 19 7.298 19.875 10.496
151 HB2 ARG 19 2HB ARG 19 7.536 19.702 7.900
152 HB3 ARG 19 3HB ARG 19 6.975 21.369 7.918
153 HG2 ARG 19 2HG ARG 19 8.986 21.263 9.843
154 HG3 ARG 19 3HG ARG 19 9.586 20.306 8.488
155 HD2 ARG 19 2HD ARG 19 9.134 22.163 6.969
156 HD3 ARG 19 3HD ARG 19 8.507 23.117 8.313
157 HE ARG 19 HE ARG 19 11.028 22.447 9.092
158 HH11 ARG 19 1HH1 ARG 19 11.067 24.985 5.997
159 HH12 ARG 19 2HH1 ARG 19 9.668 24.006 6.292
160 HH21 ARG 19 1HH2 ARG 19 12.891 24.827 7.374
161 HH22 ARG 19 2HH2 ARG 19 12.875 23.731 8.714
162 H VAL 20 H VAL 20 4.458 21.422 9.141
163 HA VAL 20 HA VAL 20 4.957 24.006 10.233
164 HB VAL 20 HB VAL 20 3.454 23.729 8.335
165 HG11 VAL 20 1HG1 VAL 20 1.270 22.701 8.563
166 HG12 VAL 20 2HG1 VAL 20 2.532 21.537 8.972
167 HG13 VAL 20 3HG1 VAL 20 1.601 22.317 10.252
168 HG21 VAL 20 1HG2 VAL 20 3.090 25.697 9.618
169 HG22 VAL 20 2HG2 VAL 20 1.500 25.038 9.233
170 HG23 VAL 20 3HG2 VAL 20 2.183 24.810 10.843
171 H SER 21 H SER 21 3.220 21.150 11.339
172 HA SER 21 HA SER 21 1.950 22.351 13.560
173 HB2 SER 21 2HB SER 21 2.701 19.480 12.986
174 HB3 SER 21 3HB SER 21 1.760 19.973 14.393
175 HG SER 21 HG SER 21 0.125 19.802 13.088
176 H MET 22 H MET 22 4.834 20.253 13.430
177 HA MET 22 HA MET 22 5.561 20.526 16.110
178 HB2 MET 22 2HB MET 22 6.528 19.131 13.958
179 HB3 MET 22 3HB MET 22 7.814 20.296 14.241
180 HG2 MET 22 2HG MET 22 8.548 19.169 15.996
181 HG3 MET 22 3HG MET 22 6.942 19.130 16.718
182 HE1 MET 22 1HE MET 22 5.300 16.027 15.492
183 HE2 MET 22 2HE MET 22 5.106 17.773 15.654
184 HE3 MET 22 3HE MET 22 5.469 17.068 14.078
185 H ALA 23 H ALA 23 6.061 22.633 13.385
186 HA ALA 23 HA ALA 23 8.121 24.227 14.519
187 HB1 ALA 23 1HB ALA 23 7.073 25.924 12.773
188 HB2 ALA 23 2HB ALA 23 8.051 24.546 12.265
189 HB3 ALA 23 3HB ALA 23 6.292 24.453 12.193
190 H THR 24 H THR 24 4.677 25.010 13.983
191 HA THR 24 HA THR 24 4.595 27.348 15.462
192 HB THR 24 HB THR 24 2.212 25.564 15.585
193 HG1 THR 24 HG1 THR 24 2.476 25.120 13.522
194 HG21 THR 24 1HG2 THR 24 2.819 28.460 15.259
195 HG22 THR 24 2HG2 THR 24 1.629 27.665 16.289
196 HG23 THR 24 3HG2 THR 24 1.323 27.841 14.561
197 H ALA 25 H ALA 25 4.161 24.009 16.542
198 HA ALA 25 HA ALA 25 3.332 24.511 19.160
199 HB1 ALA 25 1HB ALA 25 3.116 22.304 18.478
200 HB2 ALA 25 2HB ALA 25 4.770 22.225 17.868
201 HB3 ALA 25 3HB ALA 25 4.470 22.236 19.606
202 H SER 26 H SER 26 6.543 24.477 17.733
203 HA SER 26 HA SER 26 7.744 25.010 20.353
204 HB2 SER 26 2HB SER 26 8.612 23.597 18.019
205 HB3 SER 26 3HB SER 26 9.729 24.927 18.323
206 HG SER 26 HG SER 26 9.513 24.037 20.634
207 H SER 27 H SER 27 6.292 26.785 18.121
208 HA SER 27 HA SER 27 8.293 28.924 18.015
209 HB2 SER 27 2HB SER 27 6.335 27.996 16.187
210 HB3 SER 27 3HB SER 27 5.852 29.620 16.676
211 HG SER 27 HG SER 27 7.596 30.436 15.759
212 H GLN 28 H GLN 28 5.094 28.171 19.251
213 HA GLN 28 HA GLN 28 5.214 30.627 20.863
214 HB2 GLN 28 2HB GLN 28 3.041 29.671 19.081
215 HB3 GLN 28 3HB GLN 28 2.555 30.353 20.627
216 HG2 GLN 28 2HG GLN 28 3.637 32.427 20.123
217 HG3 GLN 28 3HG GLN 28 4.342 31.753 18.655
218 HE21 GLN 28 1HE2 GLN 28 2.818 31.047 16.983
219 HE22 GLN 28 2HE2 GLN 28 1.352 31.937 16.774
220 H VAL 29 H VAL 29 2.758 28.084 20.706
221 HA VAL 29 HA VAL 29 3.672 26.656 22.982
222 HB VAL 29 HB VAL 29 1.385 27.407 24.214
223 HG11 VAL 29 1HG1 VAL 29 2.757 28.133 25.869
224 HG12 VAL 29 2HG1 VAL 29 3.981 27.383 24.842
225 HG13 VAL 29 3HG1 VAL 29 3.726 29.127 24.782
226 HG21 VAL 29 1HG2 VAL 29 2.487 30.003 23.175
227 HG22 VAL 29 2HG2 VAL 29 1.122 29.187 22.413
228 HG23 VAL 29 3HG2 VAL 29 1.003 29.727 24.088
229 H LEU 30 H LEU 30 0.944 27.593 20.956
230 HA LEU 30 HA LEU 30 -0.683 26.377 19.935
231 HB2 LEU 30 2HB LEU 30 1.449 24.879 19.610
232 HB3 LEU 30 3HB LEU 30 0.616 23.817 20.742
233 HG LEU 30 HG LEU 30 -1.276 24.461 18.777
234 HD11 LEU 30 1HD1 LEU 30 0.243 23.359 16.864
235 HD12 LEU 30 2HD1 LEU 30 1.467 24.318 17.697
236 HD13 LEU 30 3HD1 LEU 30 0.027 25.100 17.047
237 HD21 LEU 30 1HD2 LEU 30 0.375 22.034 19.412
238 HD22 LEU 30 2HD2 LEU 30 -0.851 22.025 18.144
239 HD23 LEU 30 3HD2 LEU 30 -1.312 22.359 19.814
240 H ILE 31 H ILE 31 -1.943 27.167 21.817
241 HA ILE 31 HA ILE 31 -3.276 24.930 23.084
242 HB ILE 31 HB ILE 31 -3.180 26.114 25.343
243 HG12 ILE 31 2HG1 ILE 31 -0.520 27.172 24.773
244 HG13 ILE 31 3HG1 ILE 31 -1.784 28.017 23.887
245 HG21 ILE 31 1HG2 ILE 31 -1.429 24.773 26.028
246 HG22 ILE 31 2HG2 ILE 31 -1.900 24.013 24.509
247 HG23 ILE 31 3HG2 ILE 31 -0.490 25.071 24.565
248 HD11 ILE 31 1HD1 ILE 31 -1.638 27.632 26.866
249 HD12 ILE 31 2HD1 ILE 31 -1.351 29.128 25.976
250 HD13 ILE 31 3HD1 ILE 31 -2.964 28.415 26.005
251 HA PRO 32 HA PRO 32 -6.826 27.462 22.578
252 HB2 PRO 32 2HB PRO 32 -8.380 26.628 24.642
253 HB3 PRO 32 3HB PRO 32 -8.074 25.639 23.209
254 HG2 PRO 32 2HG PRO 32 -6.777 25.519 25.904
255 HG3 PRO 32 3HG PRO 32 -7.327 24.190 24.867
256 HD2 PRO 32 2HD PRO 32 -4.728 24.933 25.027
257 HD3 PRO 32 3HD PRO 32 -5.445 24.278 23.540
258 H GLU 33 H GLU 33 -5.558 29.417 23.139
259 HA GLU 33 HA GLU 33 -5.844 30.385 25.867
260 HB2 GLU 33 2HB GLU 33 -4.132 30.981 23.603
261 HB3 GLU 33 3HB GLU 33 -4.808 32.448 24.297
262 HG2 GLU 33 2HG GLU 33 -3.645 30.438 26.143
263 HG3 GLU 33 3HG GLU 33 -2.547 31.406 25.162
264 H ILE 34 H ILE 34 -6.336 32.086 22.785
265 HA ILE 34 HA ILE 34 -9.089 32.533 23.073
266 HB ILE 34 HB ILE 34 -8.532 33.860 25.018
267 HG12 ILE 34 2HG1 ILE 34 -9.211 35.608 22.642
268 HG13 ILE 34 3HG1 ILE 34 -10.356 34.655 23.580
269 HG21 ILE 34 1HG2 ILE 34 -7.050 35.752 24.949
270 HG22 ILE 34 2HG2 ILE 34 -6.187 34.331 24.362
271 HG23 ILE 34 3HG2 ILE 34 -6.787 35.534 23.219
272 HD11 ILE 34 1HD1 ILE 34 -9.846 36.011 25.553
273 HD12 ILE 34 2HD1 ILE 34 -8.735 36.981 24.585
274 HD13 ILE 34 3HD1 ILE 34 -10.459 36.982 24.215
275 H ASN 35 H ASN 35 -6.008 33.823 21.947
276 HA ASN 35 HA ASN 35 -7.308 34.484 19.389
277 HB2 ASN 35 2HB ASN 35 -6.555 36.469 20.859
278 HB3 ASN 35 3HB ASN 35 -4.917 35.988 20.428
279 HD21 ASN 35 1HD2 ASN 35 -8.054 36.733 18.967
280 HD22 ASN 35 2HD2 ASN 35 -7.410 37.513 17.566
281 H LEU 36 H LEU 36 -6.050 32.014 20.126
282 HA LEU 36 HA LEU 36 -3.684 32.069 18.370
283 HB2 LEU 36 2HB LEU 36 -2.898 31.412 20.465
284 HB3 LEU 36 3HB LEU 36 -4.326 30.434 20.796
285 HG LEU 36 HG LEU 36 -2.569 29.587 18.556
286 HD11 LEU 36 1HD1 LEU 36 -1.048 28.437 20.054
287 HD12 LEU 36 2HD1 LEU 36 -1.856 29.146 21.452
288 HD13 LEU 36 3HD1 LEU 36 -0.976 30.178 20.325
289 HD21 LEU 36 1HD2 LEU 36 -4.064 27.940 18.717
290 HD22 LEU 36 2HD2 LEU 36 -4.618 28.485 20.300
291 HD23 LEU 36 3HD2 LEU 36 -3.199 27.445 20.173
292 H ASN 37 H ASN 37 -6.843 30.895 18.813
293 HA ASN 37 HA ASN 37 -6.633 28.486 17.303
294 HB2 ASN 37 2HB ASN 37 -8.874 30.166 18.344
295 HB3 ASN 37 3HB ASN 37 -9.227 28.979 17.092
296 HD21 ASN 37 1HD2 ASN 37 -10.568 28.335 19.082
297 HD22 ASN 37 2HD2 ASN 37 -9.849 27.142 20.105
298 H ASP 38 H ASP 38 -8.237 31.572 16.495
299 HA ASP 38 HA ASP 38 -8.672 31.071 13.810
300 HB2 ASP 38 2HB ASP 38 -8.905 33.287 15.554
301 HB3 ASP 38 3HB ASP 38 -7.997 33.841 14.149
302 H THR 39 H THR 39 -5.745 32.017 15.440
303 HA THR 39 HA THR 39 -4.329 32.791 13.072
304 HB THR 39 HB THR 39 -2.460 32.049 15.054
305 HG1 THR 39 HG1 THR 39 -3.506 33.520 16.740
306 HG21 THR 39 1HG2 THR 39 -3.631 34.739 14.332
307 HG22 THR 39 2HG2 THR 39 -2.244 33.961 13.569
308 HG23 THR 39 3HG2 THR 39 -2.146 34.490 15.248
309 H PHE 40 H PHE 40 -4.042 29.989 15.264
310 HA PHE 40 HA PHE 40 -2.203 28.557 13.724
311 HB2 PHE 40 2HB PHE 40 -2.864 28.081 16.109
312 HB3 PHE 40 3HB PHE 40 -4.337 27.344 15.486
313 HD1 PHE 40 HD1 PHE 40 -0.844 27.147 14.225
314 HD2 PHE 40 HD2 PHE 40 -4.151 25.085 15.937
315 HE1 PHE 40 HE1 PHE 40 0.347 25.012 13.947
316 HE2 PHE 40 HE2 PHE 40 -2.965 22.947 15.662
317 HZ PHE 40 HZ PHE 40 -0.712 22.909 14.666
318 H ASP 41 H ASP 41 -5.735 28.569 13.670
319 HA ASP 41 HA ASP 41 -6.147 26.441 11.915
320 HB2 ASP 41 2HB ASP 41 -7.701 28.677 12.947
321 HB3 ASP 41 3HB ASP 41 -8.145 28.269 11.291
322 H THR 42 H THR 42 -6.179 29.912 11.085
323 HA THR 42 HA THR 42 -6.239 29.619 8.327
324 HB THR 42 HB THR 42 -6.306 31.765 9.924
325 HG1 THR 42 HG1 THR 42 -5.489 31.720 7.192
326 HG21 THR 42 1HG2 THR 42 -3.773 31.481 10.250
327 HG22 THR 42 2HG2 THR 42 -4.374 33.092 9.855
328 HG23 THR 42 3HG2 THR 42 -3.628 32.098 8.604
329 H PHE 43 H PHE 43 -3.611 29.196 10.537
330 HA PHE 43 HA PHE 43 -1.499 29.490 8.643
331 HB2 PHE 43 2HB PHE 43 -1.311 29.658 11.178
332 HB3 PHE 43 3HB PHE 43 -1.376 27.899 11.203
333 HD1 PHE 43 HD1 PHE 43 0.748 27.303 11.945
334 HD2 PHE 43 HD2 PHE 43 0.343 30.094 8.757
335 HE1 PHE 43 HE1 PHE 43 3.176 27.208 11.557
336 HE2 PHE 43 HE2 PHE 43 2.770 30.002 8.364
337 HZ PHE 43 HZ PHE 43 4.190 28.558 9.764
338 H ALA 44 H ALA 44 -2.709 26.575 10.309
339 HA ALA 44 HA ALA 44 -1.380 24.719 8.706
340 HB1 ALA 44 1HB ALA 44 -2.732 24.455 10.939
341 HB2 ALA 44 2HB ALA 44 -4.049 24.039 9.842
342 HB3 ALA 44 3HB ALA 44 -2.557 23.099 9.824
343 H LEU 45 H LEU 45 -4.682 26.005 8.418
344 HA LEU 45 HA LEU 45 -5.671 24.535 6.347
345 HB2 LEU 45 2HB LEU 45 -6.589 26.633 7.659
346 HB3 LEU 45 3HB LEU 45 -6.038 27.487 6.219
347 HG LEU 45 HG LEU 45 -8.336 27.068 5.900
348 HD11 LEU 45 1HD1 LEU 45 -8.369 25.841 3.901
349 HD12 LEU 45 2HD1 LEU 45 -7.043 24.800 4.419
350 HD13 LEU 45 3HD1 LEU 45 -6.732 26.488 4.015
351 HD21 LEU 45 1HD2 LEU 45 -8.677 24.295 5.942
352 HD22 LEU 45 2HD2 LEU 45 -9.326 25.471 7.084
353 HD23 LEU 45 3HD2 LEU 45 -7.782 24.683 7.411
354 H ASP 46 H ASP 46 -3.978 27.644 5.882
355 HA ASP 46 HA ASP 46 -3.764 27.636 3.154
356 HB2 ASP 46 2HB ASP 46 -2.763 29.202 5.164
357 HB3 ASP 46 3HB ASP 46 -1.293 28.502 4.493
358 H PHE 47 H PHE 47 -1.498 26.143 5.451
359 HA PHE 47 HA PHE 47 0.351 25.175 3.609
360 HB2 PHE 47 2HB PHE 47 -0.327 24.668 6.407
361 HB3 PHE 47 3HB PHE 47 0.322 23.250 5.592
362 HD1 PHE 47 HD1 PHE 47 2.456 23.807 4.074
363 HD2 PHE 47 HD2 PHE 47 1.167 26.045 7.458
364 HE1 PHE 47 HE1 PHE 47 4.737 24.688 4.357
365 HE2 PHE 47 HE2 PHE 47 3.445 26.929 7.746
366 HZ PHE 47 HZ PHE 47 5.233 26.251 6.194
367 H SER 48 H SER 48 -2.436 23.475 5.039
368 HA SER 48 HA SER 48 -2.195 21.064 3.716
369 HB2 SER 48 2HB SER 48 -3.833 21.532 5.524
370 HB3 SER 48 3HB SER 48 -4.790 22.476 4.382
371 HG SER 48 HG SER 48 -5.693 20.528 4.228
372 H ARG 49 H ARG 49 -3.855 24.007 2.633
373 HA ARG 49 HA ARG 49 -5.052 23.161 0.331
374 HB2 ARG 49 2HB ARG 49 -5.004 25.507 1.319
375 HB3 ARG 49 3HB ARG 49 -3.482 25.732 0.467
376 HG2 ARG 49 2HG ARG 49 -5.257 24.743 -1.447
377 HG3 ARG 49 3HG ARG 49 -6.175 25.927 -0.513
378 HD2 ARG 49 2HD ARG 49 -3.442 26.471 -1.651
379 HD3 ARG 49 3HD ARG 49 -4.938 26.834 -2.511
380 HE ARG 49 HE ARG 49 -5.112 28.016 0.001
381 HH11 ARG 49 1HH1 ARG 49 -2.851 29.973 -2.661
382 HH12 ARG 49 2HH1 ARG 49 -3.181 28.287 -2.884
383 HH21 ARG 49 1HH2 ARG 49 -3.705 31.080 -0.846
384 HH22 ARG 49 2HH2 ARG 49 -4.684 30.235 0.305
385 H GLU 50 H GLU 50 -1.635 23.973 0.774
386 HA GLU 50 HA GLU 50 -0.988 23.452 -1.983
387 HB2 GLU 50 2HB GLU 50 0.287 24.690 0.244
388 HB3 GLU 50 3HB GLU 50 1.341 23.410 -0.340
389 HG2 GLU 50 2HG GLU 50 0.152 25.507 -2.132
390 HG3 GLU 50 3HG GLU 50 1.717 25.680 -1.339
391 H LYS 51 H LYS 51 -0.941 21.698 1.034
392 HA LYS 51 HA LYS 51 0.762 19.589 0.322
393 HB2 LYS 51 2HB LYS 51 0.151 18.648 2.301
394 HB3 LYS 51 3HB LYS 51 -0.496 20.258 2.589
395 HG2 LYS 51 2HG LYS 51 -2.313 19.040 3.170
396 HG3 LYS 51 3HG LYS 51 -2.636 19.192 1.441
397 HD2 LYS 51 2HD LYS 51 -1.310 16.994 1.222
398 HD3 LYS 51 3HD LYS 51 -1.561 16.838 2.962
399 HE2 LYS 51 2HE LYS 51 -4.008 17.089 2.558
400 HE3 LYS 51 3HE LYS 51 -3.679 17.056 0.827
401 HZ1 LYS 51 1HZ LYS 51 -2.432 14.852 1.547
402 HZ2 LYS 51 2HZ LYS 51 -4.076 14.868 1.153
403 HZ3 LYS 51 3HZ LYS 51 -3.595 14.888 2.775
404 H LYS 52 H LYS 52 -2.561 20.246 -0.477
405 HA LYS 52 HA LYS 52 -3.087 17.581 -1.456
406 HB2 LYS 52 2HB LYS 52 -4.933 18.820 -0.524
407 HB3 LYS 52 3HB LYS 52 -4.653 20.159 -1.630
408 HG2 LYS 52 2HG LYS 52 -6.534 18.949 -2.424
409 HG3 LYS 52 3HG LYS 52 -5.189 18.611 -3.515
410 HD2 LYS 52 2HD LYS 52 -6.000 16.491 -3.200
411 HD3 LYS 52 3HD LYS 52 -4.822 16.571 -1.888
412 HE2 LYS 52 2HE LYS 52 -6.443 16.760 -0.267
413 HE3 LYS 52 3HE LYS 52 -7.621 17.459 -1.376
414 HZ1 LYS 52 1HZ LYS 52 -8.412 15.458 -1.887
415 HZ2 LYS 52 2HZ LYS 52 -7.565 14.875 -0.544
416 HZ3 LYS 52 3HZ LYS 52 -6.872 14.784 -2.084
417 H LEU 53 H LEU 53 -2.799 20.808 -2.946
418 HA LEU 53 HA LEU 53 -3.011 20.083 -5.598
419 HB2 LEU 53 2HB LEU 53 -2.261 22.370 -4.150
420 HB3 LEU 53 3HB LEU 53 -0.961 22.073 -5.303
421 HG LEU 53 HG LEU 53 -2.606 23.647 -6.184
422 HD11 LEU 53 1HD1 LEU 53 -2.733 22.745 -8.317
423 HD12 LEU 53 2HD1 LEU 53 -2.975 21.104 -7.719
424 HD13 LEU 53 3HD1 LEU 53 -1.388 21.863 -7.594
425 HD21 LEU 53 1HD2 LEU 53 -4.867 23.152 -6.492
426 HD22 LEU 53 2HD2 LEU 53 -4.514 22.547 -4.873
427 HD23 LEU 53 3HD2 LEU 53 -4.621 21.425 -6.230
428 H LEU 54 H LEU 54 -0.351 19.622 -3.410
429 HA LEU 54 HA LEU 54 1.619 19.091 -5.413
430 HB2 LEU 54 2HB LEU 54 2.254 19.844 -3.194
431 HB3 LEU 54 3HB LEU 54 1.536 18.402 -2.479
432 HG LEU 54 HG LEU 54 4.103 18.541 -2.743
433 HD11 LEU 54 1HD1 LEU 54 2.580 16.530 -2.211
434 HD12 LEU 54 2HD1 LEU 54 4.231 16.224 -2.750
435 HD13 LEU 54 3HD1 LEU 54 2.888 16.052 -3.881
436 HD21 LEU 54 1HD2 LEU 54 3.510 17.478 -5.483
437 HD22 LEU 54 2HD2 LEU 54 5.048 18.016 -4.806
438 HD23 LEU 54 3HD2 LEU 54 3.801 19.196 -5.213
439 H GLU 55 H GLU 55 -0.027 16.955 -3.072
440 HA GLU 55 HA GLU 55 0.873 14.534 -4.059
441 HB2 GLU 55 2HB GLU 55 -0.425 14.891 -1.944
442 HB3 GLU 55 3HB GLU 55 -1.880 15.035 -2.921
443 HG2 GLU 55 2HG GLU 55 -0.752 12.664 -3.773
444 HG3 GLU 55 3HG GLU 55 -0.463 12.671 -2.035
445 H CYS 56 H CYS 56 -2.406 15.796 -4.673
446 HA CYS 56 HA CYS 56 -3.044 14.068 -6.743
447 HB2 CYS 56 2HB CYS 56 -4.851 15.543 -7.266
448 HB3 CYS 56 3HB CYS 56 -4.615 15.616 -5.524
449 HG CYS 56 HG CYS 56 -2.838 17.954 -7.049
450 H LEU 57 H LEU 57 -3.194 14.410 -9.036
451 HA LEU 57 HA LEU 57 -2.291 14.871 -11.071
452 HB2 LEU 57 2HB LEU 57 -2.852 17.302 -9.858
453 HB3 LEU 57 3HB LEU 57 -1.205 17.489 -10.456
454 HG LEU 57 HG LEU 57 -2.305 16.529 -12.675
455 HD11 LEU 57 1HD1 LEU 57 -4.535 16.868 -12.955
456 HD12 LEU 57 2HD1 LEU 57 -4.602 18.173 -11.772
457 HD13 LEU 57 3HD1 LEU 57 -4.528 16.496 -11.231
458 HD21 LEU 57 1HD2 LEU 57 -2.143 18.653 -13.513
459 HD22 LEU 57 2HD2 LEU 57 -1.223 18.835 -12.020
460 HD23 LEU 57 3HD2 LEU 57 -2.896 19.389 -12.099
461 H ASP 58 H ASP 58 -0.142 16.032 -12.062
462 HA ASP 58 HA ASP 58 2.005 14.421 -11.105
463 HB2 ASP 58 2HB ASP 58 1.937 16.626 -13.173
464 HB3 ASP 58 3HB ASP 58 3.334 15.599 -12.864
465 H TYR 59 H TYR 59 1.610 17.960 -11.326
466 HA TYR 59 HA TYR 59 2.990 18.297 -8.804
467 HB2 TYR 59 2HB TYR 59 4.422 18.504 -11.257
468 HB3 TYR 59 3HB TYR 59 4.267 20.123 -10.585
469 HD1 TYR 59 HD1 TYR 59 5.530 20.788 -8.692
470 HD2 TYR 59 HD2 TYR 59 5.497 16.705 -9.887
471 HE1 TYR 59 HE1 TYR 59 7.377 20.324 -7.136
472 HE2 TYR 59 HE2 TYR 59 7.343 16.229 -8.333
473 HH TYR 59 HH TYR 59 8.398 17.105 -6.403
474 H LEU 60 H LEU 60 2.200 20.262 -11.678
475 HA LEU 60 HA LEU 60 0.142 21.679 -10.241
476 HB2 LEU 60 2HB LEU 60 2.490 22.690 -9.707
477 HB3 LEU 60 3HB LEU 60 2.340 23.390 -11.317
478 HG LEU 60 HG LEU 60 0.092 23.807 -9.421
479 HD11 LEU 60 1HD1 LEU 60 1.174 25.629 -8.307
480 HD12 LEU 60 2HD1 LEU 60 2.644 25.401 -9.254
481 HD13 LEU 60 3HD1 LEU 60 2.154 24.180 -8.080
482 HD21 LEU 60 1HD2 LEU 60 -0.481 25.149 -11.092
483 HD22 LEU 60 2HD2 LEU 60 1.058 24.868 -11.906
484 HD23 LEU 60 3HD2 LEU 60 0.914 26.158 -10.712
Start of MODEL 7
1 H LEU 1 H LEU 1 6.185 0.793 -9.591
2 HA LEU 1 HA LEU 1 7.625 1.402 -7.391
3 HB2 LEU 1 2HB LEU 1 7.116 3.724 -7.748
4 HB3 LEU 1 3HB LEU 1 7.270 2.907 -9.302
5 HG LEU 1 HG LEU 1 4.544 3.239 -8.156
6 HD11 LEU 1 1HD1 LEU 1 6.215 5.456 -9.308
7 HD12 LEU 1 2HD1 LEU 1 5.322 5.435 -7.788
8 HD13 LEU 1 3HD1 LEU 1 4.452 5.481 -9.321
9 HD21 LEU 1 1HD2 LEU 1 4.409 2.137 -10.153
10 HD22 LEU 1 2HD2 LEU 1 5.833 2.937 -10.819
11 HD23 LEU 1 3HD2 LEU 1 4.299 3.803 -10.723
12 H LYS 2 H LYS 2 5.460 -0.249 -6.517
13 HA LYS 2 HA LYS 2 3.448 1.045 -5.113
14 HB2 LYS 2 2HB LYS 2 3.643 -1.420 -5.451
15 HB3 LYS 2 3HB LYS 2 4.911 -1.449 -4.232
16 HG2 LYS 2 2HG LYS 2 2.876 -0.158 -2.932
17 HG3 LYS 2 3HG LYS 2 2.015 -1.337 -3.925
18 HD2 LYS 2 2HD LYS 2 3.943 -2.924 -2.987
19 HD3 LYS 2 3HD LYS 2 3.894 -1.754 -1.666
20 HE2 LYS 2 2HE LYS 2 1.830 -2.405 -0.990
21 HE3 LYS 2 3HE LYS 2 1.288 -2.762 -2.629
22 HZ1 LYS 2 1HZ LYS 2 3.351 -4.521 -1.631
23 HZ2 LYS 2 2HZ LYS 2 1.923 -4.888 -2.458
24 HZ3 LYS 2 3HZ LYS 2 1.887 -4.618 -0.789
25 H GLU 3 H GLU 3 6.806 0.481 -4.226
26 HA GLU 3 HA GLU 3 6.378 2.139 -1.827
27 HB2 GLU 3 2HB GLU 3 8.339 0.937 -0.843
28 HB3 GLU 3 3HB GLU 3 6.927 -0.077 -1.103
29 HG2 GLU 3 2HG GLU 3 8.655 -0.115 -3.406
30 HG3 GLU 3 3HG GLU 3 9.535 -0.559 -1.945
31 H ASN 4 H ASN 4 8.716 2.943 -1.072
32 HA ASN 4 HA ASN 4 10.499 4.305 -1.468
33 HB2 ASN 4 2HB ASN 4 10.519 2.469 -3.673
34 HB3 ASN 4 3HB ASN 4 10.976 4.069 -4.250
35 HD21 ASN 4 1HD2 ASN 4 11.599 1.962 -1.461
36 HD22 ASN 4 2HD2 ASN 4 13.301 2.256 -1.406
37 H ASP 5 H ASP 5 8.980 4.448 -4.676
38 HA ASP 5 HA ASP 5 9.126 7.193 -4.982
39 HB2 ASP 5 2HB ASP 5 7.512 5.028 -6.213
40 HB3 ASP 5 3HB ASP 5 6.933 6.675 -6.451
41 H HIS 6 H HIS 6 6.478 5.257 -3.633
42 HA HIS 6 HA HIS 6 4.865 7.578 -3.078
43 HB2 HIS 6 2HB HIS 6 4.081 5.148 -3.575
44 HB3 HIS 6 3HB HIS 6 4.399 4.870 -1.865
45 HD1 HIS 6 HD1 HIS 6 2.922 8.080 -3.156
46 HD2 HIS 6 HD2 HIS 6 1.740 4.649 -1.133
47 HE1 HIS 6 HE1 HIS 6 0.586 8.546 -2.349
48 H ALA 7 H ALA 7 7.215 5.653 -1.397
49 HA ALA 7 HA ALA 7 6.537 6.398 1.250
50 HB1 ALA 7 1HB ALA 7 7.904 4.473 0.912
51 HB2 ALA 7 2HB ALA 7 9.121 5.418 0.053
52 HB3 ALA 7 3HB ALA 7 8.869 5.667 1.781
53 H ARG 8 H ARG 8 8.524 7.871 -1.237
54 HA ARG 8 HA ARG 8 9.626 9.855 0.542
55 HB2 ARG 8 2HB ARG 8 10.619 10.808 -1.499
56 HB3 ARG 8 3HB ARG 8 10.944 9.086 -1.354
57 HG2 ARG 8 2HG ARG 8 9.276 8.573 -2.999
58 HG3 ARG 8 3HG ARG 8 8.758 10.259 -3.057
59 HD2 ARG 8 2HD ARG 8 11.618 9.842 -3.552
60 HD3 ARG 8 3HD ARG 8 10.555 9.112 -4.755
61 HE ARG 8 HE ARG 8 9.677 11.720 -4.317
62 HH11 ARG 8 1HH1 ARG 8 12.876 11.346 -6.695
63 HH12 ARG 8 2HH1 ARG 8 12.462 10.070 -5.598
64 HH21 ARG 8 1HH2 ARG 8 11.596 13.244 -6.783
65 HH22 ARG 8 2HH2 ARG 8 10.212 13.407 -5.756
66 H PHE 9 H PHE 9 6.978 9.611 -1.734
67 HA PHE 9 HA PHE 9 6.405 12.400 -1.847
68 HB2 PHE 9 2HB PHE 9 5.142 9.903 -2.799
69 HB3 PHE 9 3HB PHE 9 4.041 11.245 -2.507
70 HD1 PHE 9 HD1 PHE 9 5.281 13.588 -3.386
71 HD2 PHE 9 HD2 PHE 9 5.666 9.673 -5.010
72 HE1 PHE 9 HE1 PHE 9 5.883 14.555 -5.567
73 HE2 PHE 9 HE2 PHE 9 6.269 10.634 -7.193
74 HZ PHE 9 HZ PHE 9 6.379 13.078 -7.474
75 H LEU 10 H LEU 10 5.213 9.709 0.103
76 HA LEU 10 HA LEU 10 3.214 11.259 1.439
77 HB2 LEU 10 2HB LEU 10 3.772 8.576 1.176
78 HB3 LEU 10 3HB LEU 10 4.174 8.903 2.860
79 HG LEU 10 HG LEU 10 1.710 10.098 2.567
80 HD11 LEU 10 1HD1 LEU 10 0.294 8.354 1.552
81 HD12 LEU 10 2HD1 LEU 10 1.748 7.523 1.002
82 HD13 LEU 10 3HD1 LEU 10 1.364 9.129 0.384
83 HD21 LEU 10 1HD2 LEU 10 2.541 7.395 3.592
84 HD22 LEU 10 2HD2 LEU 10 0.909 8.035 3.793
85 HD23 LEU 10 3HD2 LEU 10 2.283 8.880 4.508
86 H GLN 11 H GLN 11 6.473 10.137 2.264
87 HA GLN 11 HA GLN 11 6.569 11.051 4.895
88 HB2 GLN 11 2HB GLN 11 8.266 9.575 3.907
89 HB3 GLN 11 3HB GLN 11 8.824 10.895 2.888
90 HG2 GLN 11 2HG GLN 11 10.151 11.653 4.485
91 HG3 GLN 11 3HG GLN 11 8.821 11.703 5.640
92 HE21 GLN 11 1HE2 GLN 11 8.589 10.083 7.113
93 HE22 GLN 11 2HE2 GLN 11 9.740 8.812 7.325
94 H THR 12 H THR 12 6.861 12.768 1.882
95 HA THR 12 HA THR 12 7.989 15.150 3.007
96 HB THR 12 HB THR 12 6.630 14.661 0.352
97 HG1 THR 12 HG1 THR 12 9.343 14.821 1.192
98 HG21 THR 12 1HG2 THR 12 7.679 17.131 1.613
99 HG22 THR 12 2HG2 THR 12 6.387 16.924 0.431
100 HG23 THR 12 3HG2 THR 12 8.072 16.868 -0.085
101 H ALA 13 H ALA 13 4.759 14.367 1.708
102 HA ALA 13 HA ALA 13 3.460 16.720 2.306
103 HB1 ALA 13 1HB ALA 13 1.498 14.891 2.774
104 HB2 ALA 13 2HB ALA 13 2.000 15.447 1.177
105 HB3 ALA 13 3HB ALA 13 2.651 13.945 1.832
106 H LYS 14 H LYS 14 3.942 13.904 4.411
107 HA LYS 14 HA LYS 14 2.521 15.001 6.619
108 HB2 LYS 14 2HB LYS 14 3.610 12.524 5.970
109 HB3 LYS 14 3HB LYS 14 4.566 13.063 7.345
110 HG2 LYS 14 2HG LYS 14 2.764 13.055 8.776
111 HG3 LYS 14 3HG LYS 14 1.590 13.229 7.468
112 HD2 LYS 14 2HD LYS 14 1.451 11.010 7.142
113 HD3 LYS 14 3HD LYS 14 3.191 10.778 7.327
114 HE2 LYS 14 2HE LYS 14 1.654 11.467 9.764
115 HE3 LYS 14 3HE LYS 14 1.404 9.857 9.089
116 HZ1 LYS 14 1HZ LYS 14 4.123 10.904 9.565
117 HZ2 LYS 14 2HZ LYS 14 3.621 9.297 9.406
118 HZ3 LYS 14 3HZ LYS 14 3.245 10.165 10.808
119 H ASN 15 H ASN 15 5.972 14.740 5.823
120 HA ASN 15 HA ASN 15 7.024 15.844 8.147
121 HB2 ASN 15 2HB ASN 15 8.580 14.873 6.681
122 HB3 ASN 15 3HB ASN 15 7.987 15.789 5.299
123 HD21 ASN 15 1HD2 ASN 15 10.137 15.717 7.954
124 HD22 ASN 15 2HD2 ASN 15 10.898 17.242 7.671
125 H ILE 16 H ILE 16 5.354 17.354 5.524
126 HA ILE 16 HA ILE 16 6.287 20.013 5.997
127 HB ILE 16 HB ILE 16 3.844 19.015 4.530
128 HG12 ILE 16 2HG1 ILE 16 6.155 20.293 3.166
129 HG13 ILE 16 3HG1 ILE 16 6.400 18.667 3.793
130 HG21 ILE 16 1HG2 ILE 16 3.170 21.151 4.881
131 HG22 ILE 16 2HG2 ILE 16 4.811 21.743 5.138
132 HG23 ILE 16 3HG2 ILE 16 4.227 21.446 3.500
133 HD11 ILE 16 1HD1 ILE 16 5.091 19.497 1.406
134 HD12 ILE 16 2HD1 ILE 16 5.442 17.864 1.974
135 HD13 ILE 16 3HD1 ILE 16 3.935 18.654 2.437
136 H THR 17 H THR 17 3.199 18.371 6.694
137 HA THR 17 HA THR 17 2.191 20.537 8.256
138 HB THR 17 HB THR 17 1.031 17.877 8.758
139 HG1 THR 17 HG1 THR 17 0.432 17.470 6.707
140 HG21 THR 17 1HG2 THR 17 0.042 20.605 7.972
141 HG22 THR 17 2HG2 THR 17 -0.239 19.720 9.471
142 HG23 THR 17 3HG2 THR 17 -1.023 19.200 7.980
143 H GLU 18 H GLU 18 4.207 17.817 8.904
144 HA GLU 18 HA GLU 18 3.705 17.711 11.727
145 HB2 GLU 18 2HB GLU 18 5.750 16.468 9.910
146 HB3 GLU 18 3HB GLU 18 5.897 16.338 11.657
147 HG2 GLU 18 2HG GLU 18 3.330 15.575 10.356
148 HG3 GLU 18 3HG GLU 18 4.705 14.475 10.271
149 H ARG 19 H ARG 19 6.093 19.219 9.626
150 HA ARG 19 HA ARG 19 7.795 20.111 11.730
151 HB2 ARG 19 2HB ARG 19 8.332 19.824 9.217
152 HB3 ARG 19 3HB ARG 19 7.613 21.417 9.029
153 HG2 ARG 19 2HG ARG 19 9.411 21.673 11.145
154 HG3 ARG 19 3HG ARG 19 10.240 20.687 9.939
155 HD2 ARG 19 2HD ARG 19 9.744 22.372 8.231
156 HD3 ARG 19 3HD ARG 19 8.924 23.356 9.443
157 HE ARG 19 HE ARG 19 11.741 23.159 9.009
158 HH11 ARG 19 1HH1 ARG 19 10.335 24.657 12.445
159 HH12 ARG 19 2HH1 ARG 19 9.294 23.728 11.418
160 HH21 ARG 19 1HH2 ARG 19 12.513 25.028 11.837
161 HH22 ARG 19 2HH2 ARG 19 13.122 24.380 10.352
162 H VAL 20 H VAL 20 5.262 21.670 9.791
163 HA VAL 20 HA VAL 20 5.471 24.243 10.851
164 HB VAL 20 HB VAL 20 4.120 23.750 8.875
165 HG11 VAL 20 1HG1 VAL 20 3.208 21.596 9.630
166 HG12 VAL 20 2HG1 VAL 20 2.180 22.448 10.783
167 HG13 VAL 20 3HG1 VAL 20 1.947 22.683 9.050
168 HG21 VAL 20 1HG2 VAL 20 2.683 25.016 11.195
169 HG22 VAL 20 2HG2 VAL 20 3.612 25.812 9.925
170 HG23 VAL 20 3HG2 VAL 20 2.063 25.058 9.545
171 H SER 21 H SER 21 3.798 21.394 12.054
172 HA SER 21 HA SER 21 2.301 22.684 14.074
173 HB2 SER 21 2HB SER 21 2.859 19.954 13.245
174 HB3 SER 21 3HB SER 21 2.800 20.101 15.001
175 HG SER 21 HG SER 21 0.763 19.904 13.428
176 H MET 22 H MET 22 5.262 20.709 14.361
177 HA MET 22 HA MET 22 5.770 21.279 17.044
178 HB2 MET 22 2HB MET 22 6.876 19.585 15.345
179 HB3 MET 22 3HB MET 22 8.050 20.881 15.155
180 HG2 MET 22 2HG MET 22 8.788 20.713 17.336
181 HG3 MET 22 3HG MET 22 7.311 19.922 17.882
182 HE1 MET 22 1HE MET 22 9.590 18.677 14.647
183 HE2 MET 22 2HE MET 22 10.412 19.759 15.772
184 HE3 MET 22 3HE MET 22 10.862 18.055 15.699
185 H ALA 23 H ALA 23 6.381 23.136 14.171
186 HA ALA 23 HA ALA 23 8.317 24.904 15.265
187 HB1 ALA 23 1HB ALA 23 7.094 26.343 13.280
188 HB2 ALA 23 2HB ALA 23 8.441 25.226 13.056
189 HB3 ALA 23 3HB ALA 23 6.786 24.677 12.790
190 H THR 24 H THR 24 4.878 25.473 14.488
191 HA THR 24 HA THR 24 4.623 27.945 15.708
192 HB THR 24 HB THR 24 2.331 26.036 15.882
193 HG1 THR 24 HG1 THR 24 2.026 26.489 13.564
194 HG21 THR 24 1HG2 THR 24 1.480 28.273 14.594
195 HG22 THR 24 2HG2 THR 24 2.786 28.927 15.583
196 HG23 THR 24 3HG2 THR 24 1.451 28.061 16.344
197 H ALA 25 H ALA 25 4.770 24.787 17.136
198 HA ALA 25 HA ALA 25 3.747 25.651 19.700
199 HB1 ALA 25 1HB ALA 25 3.803 23.239 18.488
200 HB2 ALA 25 2HB ALA 25 5.208 23.101 19.546
201 HB3 ALA 25 3HB ALA 25 3.623 23.466 20.228
202 H SER 26 H SER 26 6.884 24.448 18.497
203 HA SER 26 HA SER 26 8.304 24.993 20.872
204 HB2 SER 26 2HB SER 26 9.219 23.433 19.282
205 HB3 SER 26 3HB SER 26 9.248 24.661 18.016
206 HG SER 26 HG SER 26 11.028 24.188 20.050
207 H SER 27 H SER 27 7.074 27.057 18.496
208 HA SER 27 HA SER 27 9.028 29.165 19.056
209 HB2 SER 27 2HB SER 27 8.267 28.618 16.684
210 HB3 SER 27 3HB SER 27 6.712 29.323 17.124
211 HG SER 27 HG SER 27 7.970 30.920 16.205
212 H GLN 28 H GLN 28 5.641 28.347 19.472
213 HA GLN 28 HA GLN 28 5.342 30.728 21.182
214 HB2 GLN 28 2HB GLN 28 3.676 29.745 18.984
215 HB3 GLN 28 3HB GLN 28 2.771 30.060 20.459
216 HG2 GLN 28 2HG GLN 28 3.130 32.300 20.373
217 HG3 GLN 28 3HG GLN 28 4.685 32.133 19.560
218 HE21 GLN 28 1HE2 GLN 28 4.768 32.491 17.448
219 HE22 GLN 28 2HE2 GLN 28 3.403 32.648 16.401
220 H VAL 29 H VAL 29 3.226 27.940 20.616
221 HA VAL 29 HA VAL 29 3.862 26.481 22.911
222 HB VAL 29 HB VAL 29 3.094 28.357 24.217
223 HG11 VAL 29 1HG1 VAL 29 1.717 29.471 22.567
224 HG12 VAL 29 2HG1 VAL 29 0.538 28.159 22.627
225 HG13 VAL 29 3HG1 VAL 29 0.783 29.192 24.036
226 HG21 VAL 29 1HG2 VAL 29 0.696 26.725 24.568
227 HG22 VAL 29 2HG2 VAL 29 2.187 25.788 24.488
228 HG23 VAL 29 3HG2 VAL 29 2.011 27.064 25.692
229 H LEU 30 H LEU 30 1.398 27.514 20.642
230 HA LEU 30 HA LEU 30 -0.122 26.352 19.412
231 HB2 LEU 30 2HB LEU 30 1.954 24.766 19.354
232 HB3 LEU 30 3HB LEU 30 0.970 23.759 20.414
233 HG LEU 30 HG LEU 30 -0.709 24.363 18.283
234 HD11 LEU 30 1HD1 LEU 30 2.121 24.225 17.418
235 HD12 LEU 30 2HD1 LEU 30 0.755 25.080 16.703
236 HD13 LEU 30 3HD1 LEU 30 0.931 23.342 16.462
237 HD21 LEU 30 1HD2 LEU 30 -0.549 22.015 17.801
238 HD22 LEU 30 2HD2 LEU 30 -0.479 22.240 19.549
239 HD23 LEU 30 3HD2 LEU 30 0.997 21.903 18.643
240 H ILE 31 H ILE 31 -1.515 27.249 21.197
241 HA ILE 31 HA ILE 31 -3.136 25.085 22.257
242 HB ILE 31 HB ILE 31 -3.239 26.051 24.521
243 HG12 ILE 31 2HG1 ILE 31 -1.075 27.547 24.974
244 HG13 ILE 31 3HG1 ILE 31 -1.342 27.991 23.292
245 HG21 ILE 31 1HG2 ILE 31 -0.434 25.324 23.688
246 HG22 ILE 31 2HG2 ILE 31 -1.116 25.192 25.308
247 HG23 ILE 31 3HG2 ILE 31 -1.732 24.174 24.008
248 HD11 ILE 31 1HD1 ILE 31 -3.728 28.076 24.996
249 HD12 ILE 31 2HD1 ILE 31 -2.466 29.243 25.393
250 HD13 ILE 31 3HD1 ILE 31 -3.158 29.210 23.772
251 HA PRO 32 HA PRO 32 -6.437 27.804 21.259
252 HB2 PRO 32 2HB PRO 32 -8.325 26.990 23.032
253 HB3 PRO 32 3HB PRO 32 -7.846 26.027 21.629
254 HG2 PRO 32 2HG PRO 32 -6.985 25.771 24.485
255 HG3 PRO 32 3HG PRO 32 -7.428 24.499 23.331
256 HD2 PRO 32 2HD PRO 32 -4.854 25.109 23.911
257 HD3 PRO 32 3HD PRO 32 -5.361 24.531 22.311
258 H GLU 33 H GLU 33 -6.986 29.845 21.750
259 HA GLU 33 HA GLU 33 -7.024 30.700 24.546
260 HB2 GLU 33 2HB GLU 33 -5.099 31.572 22.487
261 HB3 GLU 33 3HB GLU 33 -5.848 32.869 23.408
262 HG2 GLU 33 2HG GLU 33 -4.861 30.626 25.018
263 HG3 GLU 33 3HG GLU 33 -3.619 31.532 24.156
264 H ILE 34 H ILE 34 -7.087 32.461 21.460
265 HA ILE 34 HA ILE 34 -9.868 32.766 21.287
266 HB ILE 34 HB ILE 34 -9.730 34.053 23.327
267 HG12 ILE 34 2HG1 ILE 34 -9.999 36.375 21.604
268 HG13 ILE 34 3HG1 ILE 34 -10.803 34.967 20.918
269 HG21 ILE 34 1HG2 ILE 34 -8.348 35.997 23.584
270 HG22 ILE 34 2HG2 ILE 34 -7.328 34.643 23.101
271 HG23 ILE 34 3HG2 ILE 34 -7.783 35.870 21.919
272 HD11 ILE 34 1HD1 ILE 34 -11.422 35.151 23.698
273 HD12 ILE 34 2HD1 ILE 34 -11.745 36.696 22.911
274 HD13 ILE 34 3HD1 ILE 34 -12.500 35.222 22.305
275 H ASN 35 H ASN 35 -6.721 34.269 20.748
276 HA ASN 35 HA ASN 35 -7.633 35.043 18.054
277 HB2 ASN 35 2HB ASN 35 -7.036 36.923 19.684
278 HB3 ASN 35 3HB ASN 35 -5.369 36.373 19.537
279 HD21 ASN 35 1HD2 ASN 35 -8.135 37.539 17.697
280 HD22 ASN 35 2HD2 ASN 35 -7.215 38.259 16.424
281 H LEU 36 H LEU 36 -6.425 32.511 19.022
282 HA LEU 36 HA LEU 36 -3.967 32.543 17.397
283 HB2 LEU 36 2HB LEU 36 -3.294 31.969 19.555
284 HB3 LEU 36 3HB LEU 36 -4.726 30.982 19.838
285 HG LEU 36 HG LEU 36 -2.832 30.085 17.733
286 HD11 LEU 36 1HD1 LEU 36 -1.516 28.898 19.517
287 HD12 LEU 36 2HD1 LEU 36 -2.260 29.989 20.685
288 HD13 LEU 36 3HD1 LEU 36 -1.240 30.636 19.401
289 HD21 LEU 36 1HD2 LEU 36 -4.454 28.525 17.883
290 HD22 LEU 36 2HD2 LEU 36 -4.875 28.962 19.539
291 HD23 LEU 36 3HD2 LEU 36 -3.472 27.939 19.226
292 H ASN 37 H ASN 37 -7.130 31.340 17.694
293 HA ASN 37 HA ASN 37 -6.826 28.873 16.319
294 HB2 ASN 37 2HB ASN 37 -9.084 30.587 17.186
295 HB3 ASN 37 3HB ASN 37 -9.406 29.501 15.837
296 HD21 ASN 37 1HD2 ASN 37 -8.599 27.213 16.213
297 HD22 ASN 37 2HD2 ASN 37 -8.920 26.540 17.772
298 H ASP 38 H ASP 38 -8.309 31.924 15.207
299 HA ASP 38 HA ASP 38 -8.505 31.264 12.521
300 HB2 ASP 38 2HB ASP 38 -7.994 34.010 13.687
301 HB3 ASP 38 3HB ASP 38 -8.656 33.670 12.090
302 H THR 39 H THR 39 -5.742 32.274 14.369
303 HA THR 39 HA THR 39 -4.119 32.916 12.079
304 HB THR 39 HB THR 39 -2.449 32.398 14.301
305 HG1 THR 39 HG1 THR 39 -3.678 34.020 15.710
306 HG21 THR 39 1HG2 THR 39 -2.542 34.256 12.450
307 HG22 THR 39 2HG2 THR 39 -1.817 34.598 14.021
308 HG23 THR 39 3HG2 THR 39 -3.459 35.136 13.671
309 H PHE 40 H PHE 40 -4.034 30.325 14.531
310 HA PHE 40 HA PHE 40 -2.022 28.802 13.334
311 HB2 PHE 40 2HB PHE 40 -2.925 28.516 15.664
312 HB3 PHE 40 3HB PHE 40 -4.326 27.715 14.960
313 HD1 PHE 40 HD1 PHE 40 -0.722 27.441 14.081
314 HD2 PHE 40 HD2 PHE 40 -4.184 25.506 15.625
315 HE1 PHE 40 HE1 PHE 40 0.492 25.302 14.111
316 HE2 PHE 40 HE2 PHE 40 -2.975 23.363 15.660
317 HZ PHE 40 HZ PHE 40 -0.634 23.259 14.903
318 H ASP 41 H ASP 41 -5.526 28.739 12.895
319 HA ASP 41 HA ASP 41 -5.724 26.458 11.303
320 HB2 ASP 41 2HB ASP 41 -7.535 28.141 12.307
321 HB3 ASP 41 3HB ASP 41 -7.474 28.784 10.669
322 H THR 42 H THR 42 -5.642 29.846 10.182
323 HA THR 42 HA THR 42 -5.397 29.295 7.464
324 HB THR 42 HB THR 42 -5.695 31.576 8.825
325 HG1 THR 42 HG1 THR 42 -5.815 32.393 6.850
326 HG21 THR 42 1HG2 THR 42 -2.896 31.914 7.805
327 HG22 THR 42 2HG2 THR 42 -3.189 31.359 9.454
328 HG23 THR 42 3HG2 THR 42 -3.803 32.927 8.928
329 H PHE 43 H PHE 43 -3.065 29.081 9.992
330 HA PHE 43 HA PHE 43 -0.743 29.265 8.325
331 HB2 PHE 43 2HB PHE 43 -0.836 29.729 10.824
332 HB3 PHE 43 3HB PHE 43 -0.896 27.984 11.053
333 HD1 PHE 43 HD1 PHE 43 1.133 27.520 12.095
334 HD2 PHE 43 HD2 PHE 43 1.079 29.900 8.566
335 HE1 PHE 43 HE1 PHE 43 3.590 27.422 11.995
336 HE2 PHE 43 HE2 PHE 43 3.535 29.806 8.461
337 HZ PHE 43 HZ PHE 43 4.794 28.565 10.176
338 H ALA 44 H ALA 44 -2.326 26.555 10.017
339 HA ALA 44 HA ALA 44 -0.722 24.559 8.796
340 HB1 ALA 44 1HB ALA 44 -3.068 23.304 9.568
341 HB2 ALA 44 2HB ALA 44 -1.606 23.492 10.538
342 HB3 ALA 44 3HB ALA 44 -2.917 24.663 10.682
343 H LEU 45 H LEU 45 -4.027 25.708 8.166
344 HA LEU 45 HA LEU 45 -4.810 23.988 6.186
345 HB2 LEU 45 2HB LEU 45 -5.934 26.116 7.257
346 HB3 LEU 45 3HB LEU 45 -5.334 26.893 5.794
347 HG LEU 45 HG LEU 45 -7.576 26.312 5.358
348 HD11 LEU 45 1HD1 LEU 45 -6.026 24.037 4.152
349 HD12 LEU 45 2HD1 LEU 45 -5.839 25.707 3.621
350 HD13 LEU 45 3HD1 LEU 45 -7.403 24.906 3.474
351 HD21 LEU 45 1HD2 LEU 45 -6.941 23.992 7.003
352 HD22 LEU 45 2HD2 LEU 45 -7.882 23.588 5.567
353 HD23 LEU 45 3HD2 LEU 45 -8.489 24.787 6.710
354 H ASP 46 H ASP 46 -3.241 27.136 5.576
355 HA ASP 46 HA ASP 46 -2.864 26.935 2.871
356 HB2 ASP 46 2HB ASP 46 -2.054 28.691 4.818
357 HB3 ASP 46 3HB ASP 46 -0.520 28.030 4.260
358 H PHE 47 H PHE 47 -0.707 25.709 5.414
359 HA PHE 47 HA PHE 47 1.312 24.715 3.768
360 HB2 PHE 47 2HB PHE 47 0.489 24.407 6.547
361 HB3 PHE 47 3HB PHE 47 1.203 22.935 5.896
362 HD1 PHE 47 HD1 PHE 47 3.371 23.540 4.335
363 HD2 PHE 47 HD2 PHE 47 1.943 25.754 7.678
364 HE1 PHE 47 HE1 PHE 47 5.620 24.484 4.666
365 HE2 PHE 47 HE2 PHE 47 4.189 26.702 8.014
366 HZ PHE 47 HZ PHE 47 6.030 26.068 6.507
367 H SER 48 H SER 48 -1.519 23.018 5.103
368 HA SER 48 HA SER 48 -1.083 20.518 4.013
369 HB2 SER 48 2HB SER 48 -3.188 21.811 5.357
370 HB3 SER 48 3HB SER 48 -3.894 21.169 3.874
371 HG SER 48 HG SER 48 -3.360 19.147 4.476
372 H ARG 49 H ARG 49 -2.776 23.279 2.559
373 HA ARG 49 HA ARG 49 -3.706 22.182 0.235
374 HB2 ARG 49 2HB ARG 49 -4.187 24.467 0.726
375 HB3 ARG 49 3HB ARG 49 -2.481 24.895 0.719
376 HG2 ARG 49 2HG ARG 49 -3.530 25.700 -1.290
377 HG3 ARG 49 3HG ARG 49 -2.395 24.410 -1.693
378 HD2 ARG 49 2HD ARG 49 -4.011 23.122 -2.537
379 HD3 ARG 49 3HD ARG 49 -5.064 23.404 -1.151
380 HE ARG 49 HE ARG 49 -5.135 24.755 -3.685
381 HH11 ARG 49 1HH1 ARG 49 -7.176 26.152 -0.537
382 HH12 ARG 49 2HH1 ARG 49 -5.921 24.981 -0.301
383 HH21 ARG 49 1HH2 ARG 49 -7.667 26.898 -2.647
384 HH22 ARG 49 2HH2 ARG 49 -6.785 26.296 -4.009
385 H GLU 50 H GLU 50 -0.407 23.266 0.917
386 HA GLU 50 HA GLU 50 0.534 22.628 -1.725
387 HB2 GLU 50 2HB GLU 50 1.486 24.129 0.455
388 HB3 GLU 50 3HB GLU 50 2.643 22.824 0.233
389 HG2 GLU 50 2HG GLU 50 1.820 24.929 -1.739
390 HG3 GLU 50 3HG GLU 50 3.419 24.629 -1.062
391 H LYS 51 H LYS 51 0.352 21.029 1.366
392 HA LYS 51 HA LYS 51 2.242 19.001 0.968
393 HB2 LYS 51 2HB LYS 51 1.460 18.124 2.914
394 HB3 LYS 51 3HB LYS 51 0.678 19.694 3.033
395 HG2 LYS 51 2HG LYS 51 -1.113 18.379 3.461
396 HG3 LYS 51 3HG LYS 51 -1.229 18.418 1.700
397 HD2 LYS 51 2HD LYS 51 0.215 16.312 1.732
398 HD3 LYS 51 3HD LYS 51 -0.140 16.236 3.459
399 HE2 LYS 51 2HE LYS 51 -2.562 16.267 2.899
400 HE3 LYS 51 3HE LYS 51 -2.128 16.184 1.192
401 HZ1 LYS 51 1HZ LYS 51 -2.621 14.043 2.675
402 HZ2 LYS 51 2HZ LYS 51 -0.951 14.159 2.913
403 HZ3 LYS 51 3HZ LYS 51 -1.574 14.021 1.346
404 H LYS 52 H LYS 52 -0.996 19.407 -0.241
405 HA LYS 52 HA LYS 52 -1.238 16.671 -1.138
406 HB2 LYS 52 2HB LYS 52 -3.002 18.858 -2.153
407 HB3 LYS 52 3HB LYS 52 -3.405 17.194 -1.747
408 HG2 LYS 52 2HG LYS 52 -2.862 17.942 0.685
409 HG3 LYS 52 3HG LYS 52 -3.123 19.564 0.041
410 HD2 LYS 52 2HD LYS 52 -5.338 18.795 -0.807
411 HD3 LYS 52 3HD LYS 52 -5.072 17.262 0.025
412 HE2 LYS 52 2HE LYS 52 -4.677 18.760 2.109
413 HE3 LYS 52 3HE LYS 52 -5.527 19.989 1.172
414 HZ1 LYS 52 1HZ LYS 52 -6.543 17.549 2.388
415 HZ2 LYS 52 2HZ LYS 52 -7.183 17.946 0.874
416 HZ3 LYS 52 3HZ LYS 52 -7.304 19.043 2.156
417 H LEU 53 H LEU 53 -1.033 19.843 -2.758
418 HA LEU 53 HA LEU 53 -0.872 18.981 -5.371
419 HB2 LEU 53 2HB LEU 53 -0.586 21.389 -4.030
420 HB3 LEU 53 3HB LEU 53 0.958 21.172 -4.852
421 HG LEU 53 HG LEU 53 -0.477 20.763 -6.960
422 HD11 LEU 53 1HD1 LEU 53 -2.593 20.641 -5.549
423 HD12 LEU 53 2HD1 LEU 53 -2.655 21.630 -7.007
424 HD13 LEU 53 3HD1 LEU 53 -2.478 22.396 -5.429
425 HD21 LEU 53 1HD2 LEU 53 0.670 22.678 -7.229
426 HD22 LEU 53 2HD2 LEU 53 0.295 23.255 -5.605
427 HD23 LEU 53 3HD2 LEU 53 -0.887 23.439 -6.901
428 H LEU 54 H LEU 54 1.539 18.848 -2.875
429 HA LEU 54 HA LEU 54 3.773 18.417 -4.604
430 HB2 LEU 54 2HB LEU 54 4.090 19.297 -2.374
431 HB3 LEU 54 3HB LEU 54 3.379 17.846 -1.671
432 HG LEU 54 HG LEU 54 5.950 18.155 -1.639
433 HD11 LEU 54 1HD1 LEU 54 4.499 16.082 -1.147
434 HD12 LEU 54 2HD1 LEU 54 6.218 15.857 -1.469
435 HD13 LEU 54 3HD1 LEU 54 5.034 15.524 -2.733
436 HD21 LEU 54 1HD2 LEU 54 5.707 16.929 -4.371
437 HD22 LEU 54 2HD2 LEU 54 7.157 17.503 -3.547
438 HD23 LEU 54 3HD2 LEU 54 5.960 18.659 -4.135
439 H GLU 55 H GLU 55 2.041 16.227 -2.378
440 HA GLU 55 HA GLU 55 3.260 13.871 -3.283
441 HB2 GLU 55 2HB GLU 55 1.774 14.337 -1.185
442 HB3 GLU 55 3HB GLU 55 0.447 13.885 -2.246
443 HG2 GLU 55 2HG GLU 55 2.056 11.816 -2.707
444 HG3 GLU 55 3HG GLU 55 2.599 12.227 -1.082
445 H CYS 56 H CYS 56 -0.053 15.009 -3.975
446 HA CYS 56 HA CYS 56 0.183 13.843 -6.656
447 HB2 CYS 56 2HB CYS 56 -1.706 13.071 -4.524
448 HB3 CYS 56 3HB CYS 56 -2.434 13.341 -6.103
449 HG CYS 56 HG CYS 56 -0.347 11.555 -7.242
450 H LEU 57 H LEU 57 0.186 15.704 -7.796
451 HA LEU 57 HA LEU 57 -1.090 18.080 -7.205
452 HB2 LEU 57 2HB LEU 57 -0.636 18.758 -9.390
453 HB3 LEU 57 3HB LEU 57 0.619 17.577 -9.022
454 HG LEU 57 HG LEU 57 -1.481 16.150 -10.238
455 HD11 LEU 57 1HD1 LEU 57 -2.377 18.252 -11.066
456 HD12 LEU 57 2HD1 LEU 57 -1.697 17.303 -12.387
457 HD13 LEU 57 3HD1 LEU 57 -0.802 18.677 -11.738
458 HD21 LEU 57 1HD2 LEU 57 0.351 16.264 -12.162
459 HD22 LEU 57 2HD2 LEU 57 0.582 15.314 -10.693
460 HD23 LEU 57 3HD2 LEU 57 1.321 16.910 -10.837
461 H ASP 58 H ASP 58 -3.011 19.065 -7.955
462 HA ASP 58 HA ASP 58 -4.990 17.724 -9.455
463 HB2 ASP 58 2HB ASP 58 -5.263 16.296 -7.534
464 HB3 ASP 58 3HB ASP 58 -5.332 17.684 -6.452
465 H TYR 59 H TYR 59 -4.636 19.918 -10.305
466 HA TYR 59 HA TYR 59 -6.079 21.980 -8.782
467 HB2 TYR 59 2HB TYR 59 -4.916 23.623 -10.160
468 HB3 TYR 59 3HB TYR 59 -3.757 22.546 -9.389
469 HD1 TYR 59 HD1 TYR 59 -2.457 20.969 -10.701
470 HD2 TYR 59 HD2 TYR 59 -5.272 23.559 -12.565
471 HE1 TYR 59 HE1 TYR 59 -1.467 20.458 -12.893
472 HE2 TYR 59 HE2 TYR 59 -4.290 23.054 -14.763
473 HH TYR 59 HH TYR 59 -1.603 20.755 -15.090
474 H LEU 60 H LEU 60 -6.809 23.729 -10.679
475 HA LEU 60 HA LEU 60 -9.143 22.602 -11.761
476 HB2 LEU 60 2HB LEU 60 -8.060 25.160 -11.443
477 HB3 LEU 60 3HB LEU 60 -8.323 24.976 -13.176
478 HG LEU 60 HG LEU 60 -10.694 24.412 -12.707
479 HD11 LEU 60 1HD1 LEU 60 -10.775 23.578 -10.549
480 HD12 LEU 60 2HD1 LEU 60 -11.451 25.196 -10.363
481 HD13 LEU 60 3HD1 LEU 60 -9.779 24.880 -9.897
482 HD21 LEU 60 1HD2 LEU 60 -11.146 26.569 -13.000
483 HD22 LEU 60 2HD2 LEU 60 -9.437 26.897 -12.709
484 HD23 LEU 60 3HD2 LEU 60 -10.590 26.971 -11.376
Start of MODEL 8
1 H LEU 1 H LEU 1 6.500 0.959 5.664
2 HA LEU 1 HA LEU 1 8.172 3.153 5.617
3 HB2 LEU 1 2HB LEU 1 9.654 0.581 6.135
4 HB3 LEU 1 3HB LEU 1 10.411 2.067 5.566
5 HG LEU 1 HG LEU 1 8.967 1.799 8.200
6 HD11 LEU 1 1HD1 LEU 1 11.941 1.901 7.775
7 HD12 LEU 1 2HD1 LEU 1 11.050 0.389 7.953
8 HD13 LEU 1 3HD1 LEU 1 11.059 1.566 9.266
9 HD21 LEU 1 1HD2 LEU 1 10.036 4.025 6.693
10 HD22 LEU 1 2HD2 LEU 1 10.799 3.884 8.278
11 HD23 LEU 1 3HD2 LEU 1 9.044 4.022 8.152
12 H LYS 2 H LYS 2 8.855 3.592 3.561
13 HA LYS 2 HA LYS 2 9.051 1.501 1.576
14 HB2 LYS 2 2HB LYS 2 6.647 3.141 1.858
15 HB3 LYS 2 3HB LYS 2 7.352 3.231 0.250
16 HG2 LYS 2 2HG LYS 2 7.416 0.549 0.738
17 HG3 LYS 2 3HG LYS 2 5.934 1.041 1.562
18 HD2 LYS 2 2HD LYS 2 6.562 1.872 -1.260
19 HD3 LYS 2 3HD LYS 2 5.722 0.366 -0.883
20 HE2 LYS 2 2HE LYS 2 4.371 2.255 0.611
21 HE3 LYS 2 3HE LYS 2 4.740 3.105 -0.889
22 HZ1 LYS 2 1HZ LYS 2 3.442 0.439 -0.769
23 HZ2 LYS 2 2HZ LYS 2 3.657 1.405 -2.140
24 HZ3 LYS 2 3HZ LYS 2 2.597 1.897 -0.917
25 H GLU 3 H GLU 3 9.752 2.351 -0.539
26 HA GLU 3 HA GLU 3 10.903 5.042 -0.433
27 HB2 GLU 3 2HB GLU 3 12.472 2.901 0.125
28 HB3 GLU 3 3HB GLU 3 12.654 2.982 -1.621
29 HG2 GLU 3 2HG GLU 3 13.869 4.867 -1.543
30 HG3 GLU 3 3HG GLU 3 12.928 5.546 -0.217
31 H ASN 4 H ASN 4 8.655 3.800 -1.867
32 HA ASN 4 HA ASN 4 9.557 3.671 -4.628
33 HB2 ASN 4 2HB ASN 4 7.345 2.632 -3.165
34 HB3 ASN 4 3HB ASN 4 6.709 3.670 -4.437
35 HD21 ASN 4 1HD2 ASN 4 8.980 1.027 -3.855
36 HD22 ASN 4 2HD2 ASN 4 8.763 0.269 -5.392
37 H ASP 5 H ASP 5 8.039 4.864 -6.239
38 HA ASP 5 HA ASP 5 8.512 7.585 -6.067
39 HB2 ASP 5 2HB ASP 5 6.710 5.889 -7.734
40 HB3 ASP 5 3HB ASP 5 6.483 7.635 -7.779
41 H HIS 6 H HIS 6 5.334 6.002 -5.699
42 HA HIS 6 HA HIS 6 3.952 8.260 -4.819
43 HB2 HIS 6 2HB HIS 6 3.036 5.967 -5.552
44 HB3 HIS 6 3HB HIS 6 3.295 5.475 -3.881
45 HD1 HIS 6 HD1 HIS 6 0.629 5.153 -3.906
46 HD2 HIS 6 HD2 HIS 6 2.007 9.066 -4.142
47 HE1 HIS 6 HE1 HIS 6 -1.346 6.597 -3.326
48 H ALA 7 H ALA 7 6.153 6.187 -3.156
49 HA ALA 7 HA ALA 7 5.309 6.756 -0.500
50 HB1 ALA 7 1HB ALA 7 8.143 6.064 -1.075
51 HB2 ALA 7 2HB ALA 7 7.064 5.465 0.186
52 HB3 ALA 7 3HB ALA 7 6.893 4.883 -1.470
53 H ARG 8 H ARG 8 8.222 7.849 -2.257
54 HA ARG 8 HA ARG 8 9.043 9.769 -0.441
55 HB2 ARG 8 2HB ARG 8 10.185 10.848 -2.401
56 HB3 ARG 8 3HB ARG 8 10.507 9.129 -2.217
57 HG2 ARG 8 2HG ARG 8 8.907 8.621 -3.973
58 HG3 ARG 8 3HG ARG 8 8.526 10.337 -4.137
59 HD2 ARG 8 2HD ARG 8 11.358 9.435 -4.401
60 HD3 ARG 8 3HD ARG 8 10.246 9.184 -5.746
61 HE ARG 8 HE ARG 8 10.131 11.859 -4.793
62 HH11 ARG 8 1HH1 ARG 8 12.733 10.930 -7.690
63 HH12 ARG 8 2HH1 ARG 8 12.045 9.675 -6.713
64 HH21 ARG 8 1HH2 ARG 8 12.155 13.116 -7.325
65 HH22 ARG 8 2HH2 ARG 8 11.029 13.520 -6.073
66 H PHE 9 H PHE 9 6.535 9.924 -2.864
67 HA PHE 9 HA PHE 9 6.214 12.756 -2.814
68 HB2 PHE 9 2HB PHE 9 4.811 10.451 -4.012
69 HB3 PHE 9 3HB PHE 9 3.799 11.851 -3.671
70 HD1 PHE 9 HD1 PHE 9 3.832 13.728 -5.066
71 HD2 PHE 9 HD2 PHE 9 6.861 10.763 -5.444
72 HE1 PHE 9 HE1 PHE 9 4.621 14.803 -7.135
73 HE2 PHE 9 HE2 PHE 9 7.656 11.833 -7.512
74 HZ PHE 9 HZ PHE 9 6.536 13.856 -8.360
75 H LEU 10 H LEU 10 4.173 10.136 -1.509
76 HA LEU 10 HA LEU 10 2.433 11.763 -0.059
77 HB2 LEU 10 2HB LEU 10 2.728 9.060 -0.505
78 HB3 LEU 10 3HB LEU 10 2.998 9.212 1.230
79 HG LEU 10 HG LEU 10 0.662 10.699 0.488
80 HD11 LEU 10 1HD1 LEU 10 0.243 9.361 -1.366
81 HD12 LEU 10 2HD1 LEU 10 -0.676 8.580 -0.080
82 HD13 LEU 10 3HD1 LEU 10 0.875 7.911 -0.586
83 HD21 LEU 10 1HD2 LEU 10 -0.125 9.801 2.398
84 HD22 LEU 10 2HD2 LEU 10 1.561 9.343 2.640
85 HD23 LEU 10 3HD2 LEU 10 0.415 8.174 1.983
86 H GLN 11 H GLN 11 5.469 10.222 0.926
87 HA GLN 11 HA GLN 11 5.435 10.878 3.626
88 HB2 GLN 11 2HB GLN 11 7.084 9.376 2.497
89 HB3 GLN 11 3HB GLN 11 7.877 10.804 1.847
90 HG2 GLN 11 2HG GLN 11 7.611 11.166 4.641
91 HG3 GLN 11 3HG GLN 11 8.251 9.548 4.362
92 HE21 GLN 11 1HE2 GLN 11 10.058 9.471 2.720
93 HE22 GLN 11 2HE2 GLN 11 11.252 10.715 2.826
94 H THR 12 H THR 12 6.772 12.729 0.900
95 HA THR 12 HA THR 12 7.742 14.900 2.369
96 HB THR 12 HB THR 12 6.793 14.675 -0.481
97 HG1 THR 12 HG1 THR 12 9.010 14.759 -0.880
98 HG21 THR 12 1HG2 THR 12 7.923 17.097 0.922
99 HG22 THR 12 2HG2 THR 12 6.363 16.961 0.112
100 HG23 THR 12 3HG2 THR 12 7.852 16.913 -0.830
101 H ALA 13 H ALA 13 4.630 14.569 0.660
102 HA ALA 13 HA ALA 13 3.509 17.005 1.288
103 HB1 ALA 13 1HB ALA 13 1.896 16.091 0.071
104 HB2 ALA 13 2HB ALA 13 2.581 14.483 0.310
105 HB3 ALA 13 3HB ALA 13 1.420 15.129 1.470
106 H LYS 14 H LYS 14 3.150 13.980 3.145
107 HA LYS 14 HA LYS 14 1.712 15.109 5.278
108 HB2 LYS 14 2HB LYS 14 3.005 12.568 4.677
109 HB3 LYS 14 3HB LYS 14 3.129 12.989 6.380
110 HG2 LYS 14 2HG LYS 14 0.489 13.534 5.732
111 HG3 LYS 14 3HG LYS 14 0.857 12.039 4.869
112 HD2 LYS 14 2HD LYS 14 1.675 11.044 6.955
113 HD3 LYS 14 3HD LYS 14 1.295 12.538 7.814
114 HE2 LYS 14 2HE LYS 14 -1.083 12.244 7.097
115 HE3 LYS 14 3HE LYS 14 -0.637 10.663 6.458
116 HZ1 LYS 14 1HZ LYS 14 0.070 11.245 9.232
117 HZ2 LYS 14 2HZ LYS 14 -0.412 9.787 8.523
118 HZ3 LYS 14 3HZ LYS 14 -1.564 10.971 8.891
119 H ASN 15 H ASN 15 5.187 14.503 4.872
120 HA ASN 15 HA ASN 15 6.079 15.273 7.376
121 HB2 ASN 15 2HB ASN 15 7.545 14.261 5.699
122 HB3 ASN 15 3HB ASN 15 7.431 15.709 4.703
123 HD21 ASN 15 1HD2 ASN 15 9.460 16.441 4.726
124 HD22 ASN 15 2HD2 ASN 15 10.346 16.857 6.150
125 H ILE 16 H ILE 16 5.006 17.234 4.697
126 HA ILE 16 HA ILE 16 6.059 19.708 5.582
127 HB ILE 16 HB ILE 16 3.682 19.124 3.814
128 HG12 ILE 16 2HG1 ILE 16 6.228 20.279 2.801
129 HG13 ILE 16 3HG1 ILE 16 6.248 18.580 3.259
130 HG21 ILE 16 1HG2 ILE 16 3.192 21.275 4.356
131 HG22 ILE 16 2HG2 ILE 16 4.859 21.666 4.778
132 HG23 ILE 16 3HG2 ILE 16 4.373 21.588 3.085
133 HD11 ILE 16 1HD1 ILE 16 3.941 19.170 1.650
134 HD12 ILE 16 2HD1 ILE 16 5.425 19.669 0.838
135 HD13 ILE 16 3HD1 ILE 16 5.234 18.002 1.382
136 H THR 17 H THR 17 2.843 18.230 5.940
137 HA THR 17 HA THR 17 1.869 20.361 7.597
138 HB THR 17 HB THR 17 0.439 17.796 7.749
139 HG1 THR 17 HG1 THR 17 -0.192 17.844 5.568
140 HG21 THR 17 1HG2 THR 17 -1.453 19.139 7.528
141 HG22 THR 17 2HG2 THR 17 -0.583 20.387 6.636
142 HG23 THR 17 3HG2 THR 17 -0.317 20.193 8.368
143 H GLU 18 H GLU 18 3.540 17.378 8.112
144 HA GLU 18 HA GLU 18 2.821 17.134 10.889
145 HB2 GLU 18 2HB GLU 18 4.685 15.695 9.041
146 HB3 GLU 18 3HB GLU 18 4.853 15.477 10.777
147 HG2 GLU 18 2HG GLU 18 2.336 14.939 10.733
148 HG3 GLU 18 3HG GLU 18 2.572 14.724 8.999
149 H ARG 19 H ARG 19 5.573 18.341 9.043
150 HA ARG 19 HA ARG 19 7.249 18.820 11.286
151 HB2 ARG 19 2HB ARG 19 7.972 18.618 8.863
152 HB3 ARG 19 3HB ARG 19 7.365 20.252 8.633
153 HG2 ARG 19 2HG ARG 19 8.992 20.492 10.840
154 HG3 ARG 19 3HG ARG 19 9.849 19.335 9.819
155 HD2 ARG 19 2HD ARG 19 9.576 20.933 7.918
156 HD3 ARG 19 3HD ARG 19 8.914 22.099 9.063
157 HE ARG 19 HE ARG 19 11.661 21.466 8.665
158 HH11 ARG 19 1HH1 ARG 19 10.512 23.204 12.084
159 HH12 ARG 19 2HH1 ARG 19 9.338 22.426 11.074
160 HH21 ARG 19 1HH2 ARG 19 12.717 23.239 11.464
161 HH22 ARG 19 2HH2 ARG 19 13.216 22.487 9.986
162 H VAL 20 H VAL 20 5.091 20.898 9.380
163 HA VAL 20 HA VAL 20 5.621 23.327 10.620
164 HB VAL 20 HB VAL 20 4.268 23.248 8.628
165 HG11 VAL 20 1HG1 VAL 20 2.114 22.269 8.493
166 HG12 VAL 20 2HG1 VAL 20 3.165 21.062 9.236
167 HG13 VAL 20 3HG1 VAL 20 2.052 21.997 10.235
168 HG21 VAL 20 1HG2 VAL 20 2.691 24.274 10.986
169 HG22 VAL 20 2HG2 VAL 20 3.921 25.158 10.084
170 HG23 VAL 20 3HG2 VAL 20 2.405 24.712 9.301
171 H SER 21 H SER 21 3.259 20.829 11.503
172 HA SER 21 HA SER 21 2.041 22.161 13.627
173 HB2 SER 21 2HB SER 21 1.809 19.662 12.464
174 HB3 SER 21 3HB SER 21 2.365 19.293 14.097
175 HG SER 21 HG SER 21 0.179 19.423 14.232
176 H MET 22 H MET 22 4.830 19.954 13.655
177 HA MET 22 HA MET 22 5.318 19.959 16.393
178 HB2 MET 22 2HB MET 22 6.814 19.282 13.968
179 HB3 MET 22 3HB MET 22 7.838 19.806 15.298
180 HG2 MET 22 2HG MET 22 6.662 18.119 16.734
181 HG3 MET 22 3HG MET 22 5.899 17.513 15.266
182 HE1 MET 22 1HE MET 22 7.236 17.318 13.195
183 HE2 MET 22 2HE MET 22 8.970 17.022 13.079
184 HE3 MET 22 3HE MET 22 7.864 15.680 13.379
185 H ALA 23 H ALA 23 6.411 22.205 13.890
186 HA ALA 23 HA ALA 23 8.147 23.728 15.493
187 HB1 ALA 23 1HB ALA 23 7.950 25.444 13.765
188 HB2 ALA 23 2HB ALA 23 8.165 23.843 13.057
189 HB3 ALA 23 3HB ALA 23 6.569 24.593 13.072
190 H THR 24 H THR 24 4.833 24.539 14.437
191 HA THR 24 HA THR 24 4.488 26.800 16.000
192 HB THR 24 HB THR 24 2.027 25.267 15.838
193 HG1 THR 24 HG1 THR 24 3.287 25.760 13.344
194 HG21 THR 24 1HG2 THR 24 3.099 27.905 15.041
195 HG22 THR 24 2HG2 THR 24 1.584 27.491 15.845
196 HG23 THR 24 3HG2 THR 24 1.737 27.300 14.099
197 H ALA 25 H ALA 25 4.362 23.444 16.897
198 HA ALA 25 HA ALA 25 3.039 23.893 19.414
199 HB1 ALA 25 1HB ALA 25 4.135 21.569 17.958
200 HB2 ALA 25 2HB ALA 25 4.100 21.450 19.718
201 HB3 ALA 25 3HB ALA 25 2.610 21.753 18.824
202 H SER 26 H SER 26 6.316 23.799 18.247
203 HA SER 26 HA SER 26 7.353 23.882 20.990
204 HB2 SER 26 2HB SER 26 8.320 22.759 18.525
205 HB3 SER 26 3HB SER 26 9.491 23.926 19.140
206 HG SER 26 HG SER 26 9.716 22.759 20.967
207 H SER 27 H SER 27 6.161 26.030 18.954
208 HA SER 27 HA SER 27 8.278 28.033 19.327
209 HB2 SER 27 2HB SER 27 7.490 27.757 17.019
210 HB3 SER 27 3HB SER 27 5.838 28.098 17.533
211 HG SER 27 HG SER 27 8.015 29.825 17.251
212 H GLN 28 H GLN 28 4.910 27.322 20.015
213 HA GLN 28 HA GLN 28 4.894 29.568 21.915
214 HB2 GLN 28 2HB GLN 28 2.979 28.946 19.746
215 HB3 GLN 28 3HB GLN 28 2.273 29.406 21.289
216 HG2 GLN 28 2HG GLN 28 2.485 31.488 20.517
217 HG3 GLN 28 3HG GLN 28 4.172 31.316 20.997
218 HE21 GLN 28 1HE2 GLN 28 2.973 32.948 18.894
219 HE22 GLN 28 2HE2 GLN 28 3.746 32.473 17.424
220 H VAL 29 H VAL 29 2.509 27.067 21.095
221 HA VAL 29 HA VAL 29 3.026 25.348 23.245
222 HB VAL 29 HB VAL 29 2.366 27.172 24.696
223 HG11 VAL 29 1HG1 VAL 29 1.037 28.464 23.127
224 HG12 VAL 29 2HG1 VAL 29 -0.208 27.213 23.123
225 HG13 VAL 29 3HG1 VAL 29 0.110 28.138 24.591
226 HG21 VAL 29 1HG2 VAL 29 1.714 24.875 25.304
227 HG22 VAL 29 2HG2 VAL 29 0.594 26.080 25.939
228 HG23 VAL 29 3HG2 VAL 29 0.154 25.127 24.521
229 H LEU 30 H LEU 30 0.674 26.753 21.059
230 HA LEU 30 HA LEU 30 -0.894 25.812 19.706
231 HB2 LEU 30 2HB LEU 30 1.058 24.076 19.561
232 HB3 LEU 30 3HB LEU 30 -0.035 23.068 20.506
233 HG LEU 30 HG LEU 30 -1.599 23.978 18.400
234 HD11 LEU 30 1HD1 LEU 30 1.232 23.778 17.601
235 HD12 LEU 30 2HD1 LEU 30 -0.095 24.685 16.876
236 HD13 LEU 30 3HD1 LEU 30 0.069 22.957 16.561
237 HD21 LEU 30 1HD2 LEU 30 -0.800 21.494 17.614
238 HD22 LEU 30 2HD2 LEU 30 -2.049 21.823 18.816
239 HD23 LEU 30 3HD2 LEU 30 -0.397 21.476 19.331
240 H ILE 31 H ILE 31 -2.207 26.674 21.600
241 HA ILE 31 HA ILE 31 -4.056 24.584 22.402
242 HB ILE 31 HB ILE 31 -4.094 25.343 24.768
243 HG12 ILE 31 2HG1 ILE 31 -1.502 26.399 25.052
244 HG13 ILE 31 3HG1 ILE 31 -2.235 27.288 23.721
245 HG21 ILE 31 1HG2 ILE 31 -1.471 24.227 23.786
246 HG22 ILE 31 2HG2 ILE 31 -2.054 24.147 25.447
247 HG23 ILE 31 3HG2 ILE 31 -2.926 23.307 24.165
248 HD11 ILE 31 1HD1 ILE 31 -4.177 27.759 25.201
249 HD12 ILE 31 2HD1 ILE 31 -3.276 27.022 26.526
250 HD13 ILE 31 3HD1 ILE 31 -2.657 28.473 25.739
251 HA PRO 32 HA PRO 32 -7.045 27.729 21.727
252 HB2 PRO 32 2HB PRO 32 -9.024 26.928 23.405
253 HB3 PRO 32 3HB PRO 32 -8.637 26.081 21.902
254 HG2 PRO 32 2HG PRO 32 -7.834 25.422 24.710
255 HG3 PRO 32 3HG PRO 32 -8.397 24.339 23.423
256 HD2 PRO 32 2HD PRO 32 -5.779 24.606 24.060
257 HD3 PRO 32 3HD PRO 32 -6.330 24.266 22.407
258 H GLU 33 H GLU 33 -6.400 29.699 22.446
259 HA GLU 33 HA GLU 33 -6.751 30.272 25.316
260 HB2 GLU 33 2HB GLU 33 -4.579 30.878 23.466
261 HB3 GLU 33 3HB GLU 33 -5.168 32.308 24.302
262 HG2 GLU 33 2HG GLU 33 -4.879 30.155 26.164
263 HG3 GLU 33 3HG GLU 33 -3.386 30.365 25.251
264 H ILE 34 H ILE 34 -6.380 32.350 22.458
265 HA ILE 34 HA ILE 34 -9.100 33.348 22.803
266 HB ILE 34 HB ILE 34 -6.681 35.154 22.892
267 HG12 ILE 34 2HG1 ILE 34 -7.237 33.997 25.024
268 HG13 ILE 34 3HG1 ILE 34 -7.432 35.743 25.119
269 HG21 ILE 34 1HG2 ILE 34 -8.801 36.751 23.420
270 HG22 ILE 34 2HG2 ILE 34 -8.064 36.572 21.829
271 HG23 ILE 34 3HG2 ILE 34 -9.504 35.643 22.243
272 HD11 ILE 34 1HD1 ILE 34 -9.538 35.511 25.742
273 HD12 ILE 34 2HD1 ILE 34 -9.898 34.533 24.319
274 HD13 ILE 34 3HD1 ILE 34 -9.292 33.766 25.787
275 H ASN 35 H ASN 35 -6.112 34.228 21.054
276 HA ASN 35 HA ASN 35 -7.613 33.936 18.538
277 HB2 ASN 35 2HB ASN 35 -7.126 36.352 19.332
278 HB3 ASN 35 3HB ASN 35 -5.458 36.006 18.884
279 HD21 ASN 35 1HD2 ASN 35 -4.958 36.733 16.961
280 HD22 ASN 35 2HD2 ASN 35 -6.007 36.815 15.590
281 H LEU 36 H LEU 36 -6.171 31.850 19.530
282 HA LEU 36 HA LEU 36 -3.677 31.877 17.966
283 HB2 LEU 36 2HB LEU 36 -3.177 31.431 20.232
284 HB3 LEU 36 3HB LEU 36 -4.515 30.293 20.378
285 HG LEU 36 HG LEU 36 -2.332 29.642 18.466
286 HD11 LEU 36 1HD1 LEU 36 -1.428 30.475 20.782
287 HD12 LEU 36 2HD1 LEU 36 -0.780 29.018 20.030
288 HD13 LEU 36 3HD1 LEU 36 -1.971 28.887 21.324
289 HD21 LEU 36 1HD2 LEU 36 -2.952 27.430 19.949
290 HD22 LEU 36 2HD2 LEU 36 -3.689 27.864 18.406
291 HD23 LEU 36 3HD2 LEU 36 -4.484 28.302 19.919
292 H ASN 37 H ASN 37 -6.813 30.575 18.170
293 HA ASN 37 HA ASN 37 -6.257 28.135 16.744
294 HB2 ASN 37 2HB ASN 37 -8.885 29.504 17.361
295 HB3 ASN 37 3HB ASN 37 -8.717 27.887 16.684
296 HD21 ASN 37 1HD2 ASN 37 -10.012 28.643 19.127
297 HD22 ASN 37 2HD2 ASN 37 -9.189 27.826 20.408
298 H ASP 38 H ASP 38 -6.882 31.405 15.935
299 HA ASP 38 HA ASP 38 -7.860 30.852 13.272
300 HB2 ASP 38 2HB ASP 38 -8.724 32.839 14.209
301 HB3 ASP 38 3HB ASP 38 -7.135 33.371 14.754
302 H THR 39 H THR 39 -4.907 32.277 14.660
303 HA THR 39 HA THR 39 -3.502 32.631 12.281
304 HB THR 39 HB THR 39 -1.880 31.791 14.603
305 HG1 THR 39 HG1 THR 39 -3.276 34.245 14.792
306 HG21 THR 39 1HG2 THR 39 -1.857 34.454 13.224
307 HG22 THR 39 2HG2 THR 39 -1.181 33.027 12.437
308 HG23 THR 39 3HG2 THR 39 -0.525 33.579 13.978
309 H PHE 40 H PHE 40 -3.461 29.860 14.516
310 HA PHE 40 HA PHE 40 -1.624 28.295 13.102
311 HB2 PHE 40 2HB PHE 40 -2.467 27.895 15.448
312 HB3 PHE 40 3HB PHE 40 -3.935 27.236 14.733
313 HD1 PHE 40 HD1 PHE 40 -0.390 26.825 13.691
314 HD2 PHE 40 HD2 PHE 40 -3.900 24.977 15.233
315 HE1 PHE 40 HE1 PHE 40 0.693 24.623 13.509
316 HE2 PHE 40 HE2 PHE 40 -2.822 22.773 15.055
317 HZ PHE 40 HZ PHE 40 -0.522 22.594 14.193
318 H ASP 41 H ASP 41 -5.151 28.484 12.875
319 HA ASP 41 HA ASP 41 -5.571 26.390 11.083
320 HB2 ASP 41 2HB ASP 41 -7.081 28.639 12.104
321 HB3 ASP 41 3HB ASP 41 -7.433 28.370 10.400
322 H THR 42 H THR 42 -5.392 29.865 10.287
323 HA THR 42 HA THR 42 -5.315 29.557 7.516
324 HB THR 42 HB THR 42 -5.480 31.712 9.085
325 HG1 THR 42 HG1 THR 42 -5.317 32.884 7.177
326 HG21 THR 42 1HG2 THR 42 -2.996 31.422 9.633
327 HG22 THR 42 2HG2 THR 42 -3.532 33.029 9.144
328 HG23 THR 42 3HG2 THR 42 -2.692 31.991 7.993
329 H PHE 43 H PHE 43 -2.830 29.162 9.900
330 HA PHE 43 HA PHE 43 -0.611 29.397 8.117
331 HB2 PHE 43 2HB PHE 43 -0.474 29.708 10.599
332 HB3 PHE 43 3HB PHE 43 -0.712 27.973 10.783
333 HD1 PHE 43 HD1 PHE 43 1.306 27.277 11.717
334 HD2 PHE 43 HD2 PHE 43 1.333 29.731 8.240
335 HE1 PHE 43 HE1 PHE 43 3.730 26.920 11.488
336 HE2 PHE 43 HE2 PHE 43 3.757 29.377 8.005
337 HZ PHE 43 HZ PHE 43 4.958 27.970 9.630
338 H ALA 44 H ALA 44 -1.973 26.557 9.797
339 HA ALA 44 HA ALA 44 -0.542 24.620 8.400
340 HB1 ALA 44 1HB ALA 44 -3.222 23.744 9.102
341 HB2 ALA 44 2HB ALA 44 -1.657 23.198 9.707
342 HB3 ALA 44 3HB ALA 44 -2.428 24.619 10.412
343 H LEU 45 H LEU 45 -3.768 25.954 7.728
344 HA LEU 45 HA LEU 45 -4.572 24.421 5.621
345 HB2 LEU 45 2HB LEU 45 -6.134 25.983 6.184
346 HB3 LEU 45 3HB LEU 45 -4.944 27.273 6.344
347 HG LEU 45 HG LEU 45 -4.856 27.534 3.936
348 HD11 LEU 45 1HD1 LEU 45 -5.348 25.823 2.616
349 HD12 LEU 45 2HD1 LEU 45 -7.049 26.041 3.027
350 HD13 LEU 45 3HD1 LEU 45 -6.052 24.929 3.964
351 HD21 LEU 45 1HD2 LEU 45 -6.470 28.934 4.834
352 HD22 LEU 45 2HD2 LEU 45 -7.533 27.596 5.273
353 HD23 LEU 45 3HD2 LEU 45 -7.362 28.070 3.582
354 H ASP 46 H ASP 46 -2.734 27.459 5.252
355 HA ASP 46 HA ASP 46 -2.259 27.360 2.552
356 HB2 ASP 46 2HB ASP 46 -1.435 28.978 4.597
357 HB3 ASP 46 3HB ASP 46 0.081 28.220 4.116
358 H PHE 47 H PHE 47 -0.249 25.928 5.114
359 HA PHE 47 HA PHE 47 1.731 24.841 3.483
360 HB2 PHE 47 2HB PHE 47 0.833 24.518 6.238
361 HB3 PHE 47 3HB PHE 47 1.474 23.024 5.564
362 HD1 PHE 47 HD1 PHE 47 3.673 23.684 3.963
363 HD2 PHE 47 HD2 PHE 47 2.371 25.607 7.530
364 HE1 PHE 47 HE1 PHE 47 5.964 24.487 4.362
365 HE2 PHE 47 HE2 PHE 47 4.660 26.413 7.935
366 HZ PHE 47 HZ PHE 47 6.460 25.855 6.349
367 H SER 48 H SER 48 -1.121 23.181 4.838
368 HA SER 48 HA SER 48 -0.816 20.740 3.591
369 HB2 SER 48 2HB SER 48 -2.693 21.806 5.236
370 HB3 SER 48 3HB SER 48 -3.600 21.731 3.725
371 HG SER 48 HG SER 48 -3.770 19.668 4.019
372 H ARG 49 H ARG 49 -2.423 23.648 2.356
373 HA ARG 49 HA ARG 49 -3.543 22.731 0.040
374 HB2 ARG 49 2HB ARG 49 -3.334 25.151 1.050
375 HB3 ARG 49 3HB ARG 49 -1.978 25.279 -0.063
376 HG2 ARG 49 2HG ARG 49 -4.012 24.228 -1.614
377 HG3 ARG 49 3HG ARG 49 -4.821 25.407 -0.580
378 HD2 ARG 49 2HD ARG 49 -2.713 26.872 -1.269
379 HD3 ARG 49 3HD ARG 49 -2.753 25.805 -2.672
380 HE ARG 49 HE ARG 49 -5.309 26.635 -2.490
381 HH11 ARG 49 1HH1 ARG 49 -2.918 29.757 -3.242
382 HH12 ARG 49 2HH1 ARG 49 -2.269 28.331 -2.502
383 HH21 ARG 49 1HH2 ARG 49 -5.141 29.855 -3.788
384 HH22 ARG 49 2HH2 ARG 49 -6.176 28.506 -3.465
385 H GLU 50 H GLU 50 -0.151 23.661 0.523
386 HA GLU 50 HA GLU 50 0.628 23.099 -2.158
387 HB2 GLU 50 2HB GLU 50 1.841 24.171 0.195
388 HB3 GLU 50 3HB GLU 50 2.866 22.881 -0.418
389 HG2 GLU 50 2HG GLU 50 2.094 24.402 -2.648
390 HG3 GLU 50 3HG GLU 50 2.539 25.549 -1.386
391 H LYS 51 H LYS 51 0.541 21.256 0.824
392 HA LYS 51 HA LYS 51 2.121 19.076 0.013
393 HB2 LYS 51 2HB LYS 51 1.773 18.884 2.242
394 HB3 LYS 51 3HB LYS 51 0.188 19.640 2.163
395 HG2 LYS 51 2HG LYS 51 0.303 16.980 0.953
396 HG3 LYS 51 3HG LYS 51 0.650 17.011 2.683
397 HD2 LYS 51 2HD LYS 51 -1.448 17.798 3.225
398 HD3 LYS 51 3HD LYS 51 -1.699 18.529 1.638
399 HE2 LYS 51 2HE LYS 51 -3.091 16.503 2.073
400 HE3 LYS 51 3HE LYS 51 -2.075 16.393 0.637
401 HZ1 LYS 51 1HZ LYS 51 -0.554 15.000 1.774
402 HZ2 LYS 51 2HZ LYS 51 -2.096 14.372 2.072
403 HZ3 LYS 51 3HZ LYS 51 -1.302 15.265 3.269
404 H LYS 52 H LYS 52 -1.398 19.567 -0.116
405 HA LYS 52 HA LYS 52 -2.099 17.104 -1.212
406 HB2 LYS 52 2HB LYS 52 -3.789 18.586 -0.345
407 HB3 LYS 52 3HB LYS 52 -3.382 19.821 -1.529
408 HG2 LYS 52 2HG LYS 52 -5.395 18.777 -2.233
409 HG3 LYS 52 3HG LYS 52 -4.110 18.239 -3.317
410 HD2 LYS 52 2HD LYS 52 -3.990 16.117 -2.268
411 HD3 LYS 52 3HD LYS 52 -4.982 16.655 -0.910
412 HE2 LYS 52 2HE LYS 52 -6.806 17.061 -2.676
413 HE3 LYS 52 3HE LYS 52 -5.812 16.059 -3.732
414 HZ1 LYS 52 1HZ LYS 52 -7.684 15.070 -2.150
415 HZ2 LYS 52 2HZ LYS 52 -6.374 14.992 -1.083
416 HZ3 LYS 52 3HZ LYS 52 -6.297 14.200 -2.576
417 H LEU 53 H LEU 53 -1.530 20.184 -2.918
418 HA LEU 53 HA LEU 53 -1.838 19.286 -5.513
419 HB2 LEU 53 2HB LEU 53 -1.236 21.650 -4.419
420 HB3 LEU 53 3HB LEU 53 0.364 21.201 -5.006
421 HG LEU 53 HG LEU 53 -1.362 20.757 -7.160
422 HD11 LEU 53 1HD1 LEU 53 -3.121 22.023 -6.164
423 HD12 LEU 53 2HD1 LEU 53 -2.381 23.022 -7.413
424 HD13 LEU 53 3HD1 LEU 53 -2.012 23.318 -5.715
425 HD21 LEU 53 1HD2 LEU 53 0.434 23.116 -6.602
426 HD22 LEU 53 2HD2 LEU 53 -0.115 22.567 -8.186
427 HD23 LEU 53 3HD2 LEU 53 0.964 21.553 -7.226
428 H LEU 54 H LEU 54 0.788 18.763 -3.306
429 HA LEU 54 HA LEU 54 2.735 17.997 -5.237
430 HB2 LEU 54 2HB LEU 54 3.021 18.699 -2.757
431 HB3 LEU 54 3HB LEU 54 2.714 16.997 -2.417
432 HG LEU 54 HG LEU 54 4.940 17.978 -4.198
433 HD11 LEU 54 1HD1 LEU 54 4.942 17.296 -1.266
434 HD12 LEU 54 2HD1 LEU 54 5.398 18.824 -2.019
435 HD13 LEU 54 3HD1 LEU 54 6.399 17.392 -2.255
436 HD21 LEU 54 1HD2 LEU 54 5.780 15.623 -3.499
437 HD22 LEU 54 2HD2 LEU 54 4.569 15.770 -4.774
438 HD23 LEU 54 3HD2 LEU 54 4.080 15.317 -3.140
439 H GLU 55 H GLU 55 0.874 16.039 -2.902
440 HA GLU 55 HA GLU 55 1.580 13.559 -4.033
441 HB2 GLU 55 2HB GLU 55 0.387 14.265 -1.739
442 HB3 GLU 55 3HB GLU 55 -1.041 13.809 -2.657
443 HG2 GLU 55 2HG GLU 55 1.143 11.878 -2.831
444 HG3 GLU 55 3HG GLU 55 0.513 12.111 -1.201
445 H CYS 56 H CYS 56 -1.451 15.418 -4.298
446 HA CYS 56 HA CYS 56 -1.911 14.115 -6.895
447 HB2 CYS 56 2HB CYS 56 -3.496 13.845 -4.544
448 HB3 CYS 56 3HB CYS 56 -4.421 14.783 -5.710
449 HG CYS 56 HG CYS 56 -4.303 11.629 -5.539
450 H LEU 57 H LEU 57 -1.639 15.687 -8.343
451 HA LEU 57 HA LEU 57 -1.908 18.431 -7.864
452 HB2 LEU 57 2HB LEU 57 -2.192 17.044 -10.523
453 HB3 LEU 57 3HB LEU 57 -1.727 18.721 -10.244
454 HG LEU 57 HG LEU 57 0.054 16.790 -8.962
455 HD11 LEU 57 1HD1 LEU 57 -0.633 16.512 -11.818
456 HD12 LEU 57 2HD1 LEU 57 0.027 15.333 -10.685
457 HD13 LEU 57 3HD1 LEU 57 1.086 16.535 -11.424
458 HD21 LEU 57 1HD2 LEU 57 1.114 18.607 -10.978
459 HD22 LEU 57 2HD2 LEU 57 1.517 18.449 -9.268
460 HD23 LEU 57 3HD2 LEU 57 0.127 19.418 -9.760
461 H ASP 58 H ASP 58 -3.430 19.837 -9.249
462 HA ASP 58 HA ASP 58 -6.112 18.716 -9.490
463 HB2 ASP 58 2HB ASP 58 -5.421 20.027 -7.173
464 HB3 ASP 58 3HB ASP 58 -6.129 21.319 -8.138
465 H TYR 59 H TYR 59 -7.606 20.809 -10.084
466 HA TYR 59 HA TYR 59 -6.653 21.605 -12.649
467 HB2 TYR 59 2HB TYR 59 -9.148 21.529 -11.297
468 HB3 TYR 59 3HB TYR 59 -8.899 23.185 -11.840
469 HD1 TYR 59 HD1 TYR 59 -7.521 22.886 -14.371
470 HD2 TYR 59 HD2 TYR 59 -10.675 20.547 -12.733
471 HE1 TYR 59 HE1 TYR 59 -8.220 22.250 -16.641
472 HE2 TYR 59 HE2 TYR 59 -11.382 19.903 -14.999
473 HH TYR 59 HH TYR 59 -9.550 20.151 -17.637
474 H LEU 60 H LEU 60 -5.863 23.530 -13.347
475 HA LEU 60 HA LEU 60 -5.121 25.461 -11.267
476 HB2 LEU 60 2HB LEU 60 -3.674 24.290 -13.328
477 HB3 LEU 60 3HB LEU 60 -3.980 25.933 -13.887
478 HG LEU 60 HG LEU 60 -2.787 25.370 -11.187
479 HD11 LEU 60 1HD1 LEU 60 -1.552 25.134 -13.836
480 HD12 LEU 60 2HD1 LEU 60 -1.034 24.494 -12.277
481 HD13 LEU 60 3HD1 LEU 60 -0.684 26.169 -12.703
482 HD21 LEU 60 1HD2 LEU 60 -1.781 27.697 -11.869
483 HD22 LEU 60 2HD2 LEU 60 -3.408 27.577 -11.199
484 HD23 LEU 60 3HD2 LEU 60 -3.182 27.746 -12.940
Start of MODEL 9
1 H LEU 1 H LEU 1 9.946 5.270 -0.100
2 HA LEU 1 HA LEU 1 11.009 4.543 2.462
3 HB2 LEU 1 2HB LEU 1 8.224 4.760 2.251
4 HB3 LEU 1 3HB LEU 1 8.574 3.034 2.180
5 HG LEU 1 HG LEU 1 10.071 3.735 4.312
6 HD11 LEU 1 1HD1 LEU 1 8.154 5.894 3.897
7 HD12 LEU 1 2HD1 LEU 1 9.588 5.828 4.922
8 HD13 LEU 1 3HD1 LEU 1 8.060 5.163 5.499
9 HD21 LEU 1 1HD2 LEU 1 8.364 1.932 4.102
10 HD22 LEU 1 2HD2 LEU 1 7.122 3.131 4.461
11 HD23 LEU 1 3HD2 LEU 1 8.357 2.753 5.663
12 H LYS 2 H LYS 2 12.543 3.252 1.647
13 HA LYS 2 HA LYS 2 13.534 1.452 0.671
14 HB2 LYS 2 2HB LYS 2 10.767 0.287 0.369
15 HB3 LYS 2 3HB LYS 2 12.293 -0.582 0.458
16 HG2 LYS 2 2HG LYS 2 12.548 0.277 2.793
17 HG3 LYS 2 3HG LYS 2 10.905 0.909 2.671
18 HD2 LYS 2 2HD LYS 2 9.957 -1.195 2.630
19 HD3 LYS 2 3HD LYS 2 11.428 -1.959 2.022
20 HE2 LYS 2 2HE LYS 2 11.867 -0.740 4.604
21 HE3 LYS 2 3HE LYS 2 10.528 -1.886 4.662
22 HZ1 LYS 2 1HZ LYS 2 13.172 -2.512 4.802
23 HZ2 LYS 2 2HZ LYS 2 12.777 -2.890 3.202
24 HZ3 LYS 2 3HZ LYS 2 11.916 -3.597 4.475
25 H GLU 3 H GLU 3 12.843 3.664 -0.954
26 HA GLU 3 HA GLU 3 12.835 4.281 -3.144
27 HB2 GLU 3 2HB GLU 3 13.207 1.364 -3.817
28 HB3 GLU 3 3HB GLU 3 13.673 2.758 -4.781
29 HG2 GLU 3 2HG GLU 3 15.699 2.519 -3.917
30 HG3 GLU 3 3HG GLU 3 15.025 3.140 -2.411
31 H ASN 4 H ASN 4 10.841 4.983 -3.624
32 HA ASN 4 HA ASN 4 9.083 3.280 -5.111
33 HB2 ASN 4 2HB ASN 4 8.599 3.719 -2.263
34 HB3 ASN 4 3HB ASN 4 7.237 4.204 -3.268
35 HD21 ASN 4 1HD2 ASN 4 7.052 2.469 -5.206
36 HD22 ASN 4 2HD2 ASN 4 6.877 0.850 -4.626
37 H ASP 5 H ASP 5 6.985 4.530 -5.635
38 HA ASP 5 HA ASP 5 7.765 7.295 -6.236
39 HB2 ASP 5 2HB ASP 5 6.004 5.292 -7.581
40 HB3 ASP 5 3HB ASP 5 5.651 7.004 -7.803
41 H HIS 6 H HIS 6 4.682 5.596 -5.652
42 HA HIS 6 HA HIS 6 3.302 7.873 -4.768
43 HB2 HIS 6 2HB HIS 6 2.283 5.701 -5.550
44 HB3 HIS 6 3HB HIS 6 2.690 5.022 -3.977
45 HD1 HIS 6 HD1 HIS 6 0.383 4.725 -3.033
46 HD2 HIS 6 HD2 HIS 6 1.038 8.565 -4.477
47 HE1 HIS 6 HE1 HIS 6 -1.618 6.065 -2.311
48 H ALA 7 H ALA 7 5.472 5.727 -3.142
49 HA ALA 7 HA ALA 7 4.662 6.230 -0.477
50 HB1 ALA 7 1HB ALA 7 7.481 5.572 -1.259
51 HB2 ALA 7 2HB ALA 7 6.589 5.095 0.187
52 HB3 ALA 7 3HB ALA 7 6.191 4.374 -1.372
53 H ARG 8 H ARG 8 7.460 7.508 -2.293
54 HA ARG 8 HA ARG 8 8.242 9.394 -0.392
55 HB2 ARG 8 2HB ARG 8 9.419 10.513 -2.275
56 HB3 ARG 8 3HB ARG 8 9.718 8.782 -2.196
57 HG2 ARG 8 2HG ARG 8 8.194 8.382 -4.011
58 HG3 ARG 8 3HG ARG 8 7.719 10.081 -4.033
59 HD2 ARG 8 2HD ARG 8 10.497 9.044 -4.582
60 HD3 ARG 8 3HD ARG 8 9.328 9.513 -5.816
61 HE ARG 8 HE ARG 8 9.613 11.682 -4.116
62 HH11 ARG 8 1HH1 ARG 8 12.652 11.150 -6.667
63 HH12 ARG 8 2HH1 ARG 8 11.606 9.824 -6.282
64 HH21 ARG 8 1HH2 ARG 8 12.297 13.204 -5.716
65 HH22 ARG 8 2HH2 ARG 8 10.983 13.436 -4.614
66 H PHE 9 H PHE 9 5.749 9.502 -2.827
67 HA PHE 9 HA PHE 9 5.347 12.321 -2.774
68 HB2 PHE 9 2HB PHE 9 3.852 9.972 -3.852
69 HB3 PHE 9 3HB PHE 9 2.998 11.502 -3.688
70 HD1 PHE 9 HD1 PHE 9 4.669 13.556 -4.510
71 HD2 PHE 9 HD2 PHE 9 4.570 9.563 -5.981
72 HE1 PHE 9 HE1 PHE 9 5.629 14.322 -6.642
73 HE2 PHE 9 HE2 PHE 9 5.530 10.322 -8.115
74 HZ PHE 9 HZ PHE 9 6.062 12.704 -8.448
75 H LEU 10 H LEU 10 3.614 9.599 -1.273
76 HA LEU 10 HA LEU 10 1.771 11.213 0.145
77 HB2 LEU 10 2HB LEU 10 2.091 8.522 -0.334
78 HB3 LEU 10 3HB LEU 10 2.408 8.657 1.395
79 HG LEU 10 HG LEU 10 -0.034 9.990 0.379
80 HD11 LEU 10 1HD1 LEU 10 0.501 7.120 0.049
81 HD12 LEU 10 2HD1 LEU 10 -0.677 8.159 -0.752
82 HD13 LEU 10 3HD1 LEU 10 -1.016 7.518 0.855
83 HD21 LEU 10 1HD2 LEU 10 0.465 8.226 2.772
84 HD22 LEU 10 2HD2 LEU 10 -0.917 9.287 2.494
85 HD23 LEU 10 3HD2 LEU 10 0.685 9.976 2.762
86 H GLN 11 H GLN 11 4.848 9.708 1.057
87 HA GLN 11 HA GLN 11 4.848 10.368 3.764
88 HB2 GLN 11 2HB GLN 11 6.975 9.797 1.750
89 HB3 GLN 11 3HB GLN 11 7.454 10.445 3.312
90 HG2 GLN 11 2HG GLN 11 5.591 8.293 3.666
91 HG3 GLN 11 3HG GLN 11 6.936 7.781 2.648
92 HE21 GLN 11 1HE2 GLN 11 5.891 7.938 5.732
93 HE22 GLN 11 2HE2 GLN 11 7.405 7.940 6.564
94 H THR 12 H THR 12 5.497 12.317 0.954
95 HA THR 12 HA THR 12 6.752 14.469 2.368
96 HB THR 12 HB THR 12 5.511 14.395 -0.389
97 HG1 THR 12 HG1 THR 12 7.533 13.943 -1.075
98 HG21 THR 12 1HG2 THR 12 5.576 16.647 -0.129
99 HG22 THR 12 2HG2 THR 12 7.288 16.417 -0.488
100 HG23 THR 12 3HG2 THR 12 6.750 16.568 1.184
101 H ALA 13 H ALA 13 3.555 14.109 0.823
102 HA ALA 13 HA ALA 13 2.427 16.509 1.555
103 HB1 ALA 13 1HB ALA 13 0.530 15.651 0.729
104 HB2 ALA 13 2HB ALA 13 1.527 14.257 0.311
105 HB3 ALA 13 3HB ALA 13 0.582 14.250 1.800
106 H LYS 14 H LYS 14 2.539 13.504 3.441
107 HA LYS 14 HA LYS 14 1.101 14.562 5.661
108 HB2 LYS 14 2HB LYS 14 1.121 12.186 5.337
109 HB3 LYS 14 3HB LYS 14 2.879 12.141 5.356
110 HG2 LYS 14 2HG LYS 14 2.970 12.544 7.670
111 HG3 LYS 14 3HG LYS 14 1.276 13.037 7.730
112 HD2 LYS 14 2HD LYS 14 0.534 10.804 7.345
113 HD3 LYS 14 3HD LYS 14 2.171 10.261 6.969
114 HE2 LYS 14 2HE LYS 14 1.365 11.375 9.649
115 HE3 LYS 14 3HE LYS 14 1.318 9.655 9.261
116 HZ1 LYS 14 1HZ LYS 14 3.458 9.536 9.750
117 HZ2 LYS 14 2HZ LYS 14 3.511 11.192 10.089
118 HZ3 LYS 14 3HZ LYS 14 3.825 10.639 8.521
119 H ASN 15 H ASN 15 4.551 14.017 5.013
120 HA ASN 15 HA ASN 15 5.584 14.806 7.463
121 HB2 ASN 15 2HB ASN 15 7.105 13.833 5.954
122 HB3 ASN 15 3HB ASN 15 6.677 14.953 4.663
123 HD21 ASN 15 1HD2 ASN 15 8.169 16.396 4.253
124 HD22 ASN 15 2HD2 ASN 15 9.282 17.071 5.390
125 H ILE 16 H ILE 16 4.360 16.733 4.820
126 HA ILE 16 HA ILE 16 5.444 19.221 5.634
127 HB ILE 16 HB ILE 16 2.978 18.639 3.989
128 HG12 ILE 16 2HG1 ILE 16 5.481 19.697 2.796
129 HG13 ILE 16 3HG1 ILE 16 5.513 18.020 3.327
130 HG21 ILE 16 1HG2 ILE 16 2.528 20.808 4.219
131 HG22 ILE 16 2HG2 ILE 16 4.069 21.118 5.017
132 HG23 ILE 16 3HG2 ILE 16 3.974 21.116 3.256
133 HD11 ILE 16 1HD1 ILE 16 4.565 17.455 1.415
134 HD12 ILE 16 2HD1 ILE 16 3.122 18.346 1.901
135 HD13 ILE 16 3HD1 ILE 16 4.380 19.150 0.963
136 H THR 17 H THR 17 2.203 17.803 6.067
137 HA THR 17 HA THR 17 1.277 19.920 7.735
138 HB THR 17 HB THR 17 -0.085 17.347 8.078
139 HG1 THR 17 HG1 THR 17 0.144 18.492 5.475
140 HG21 THR 17 1HG2 THR 17 -1.013 19.577 8.665
141 HG22 THR 17 2HG2 THR 17 -2.036 18.668 7.552
142 HG23 THR 17 3HG2 THR 17 -1.028 19.983 6.949
143 H GLU 18 H GLU 18 3.038 16.990 8.288
144 HA GLU 18 HA GLU 18 2.456 16.834 11.099
145 HB2 GLU 18 2HB GLU 18 3.000 14.807 9.883
146 HB3 GLU 18 3HB GLU 18 4.557 15.471 9.409
147 HG2 GLU 18 2HG GLU 18 5.239 15.513 11.767
148 HG3 GLU 18 3HG GLU 18 3.693 14.794 12.211
149 H ARG 19 H ARG 19 5.070 18.089 9.095
150 HA ARG 19 HA ARG 19 6.821 18.703 11.250
151 HB2 ARG 19 2HB ARG 19 7.406 18.443 8.770
152 HB3 ARG 19 3HB ARG 19 6.805 20.084 8.574
153 HG2 ARG 19 2HG ARG 19 8.574 20.192 10.734
154 HG3 ARG 19 3HG ARG 19 9.356 19.175 9.521
155 HD2 ARG 19 2HD ARG 19 8.955 20.931 7.836
156 HD3 ARG 19 3HD ARG 19 8.251 21.948 9.092
157 HE ARG 19 HE ARG 19 10.809 21.184 9.917
158 HH11 ARG 19 1HH1 ARG 19 10.630 24.215 7.308
159 HH12 ARG 19 2HH1 ARG 19 9.293 23.123 7.455
160 HH21 ARG 19 1HH2 ARG 19 12.497 23.925 8.603
161 HH22 ARG 19 2HH2 ARG 19 12.576 22.615 9.733
162 H VAL 20 H VAL 20 4.565 20.661 9.323
163 HA VAL 20 HA VAL 20 5.036 23.143 10.444
164 HB VAL 20 HB VAL 20 3.584 22.938 8.539
165 HG11 VAL 20 1HG1 VAL 20 1.471 21.859 8.550
166 HG12 VAL 20 2HG1 VAL 20 2.620 20.726 9.266
167 HG13 VAL 20 3HG1 VAL 20 1.518 21.637 10.299
168 HG21 VAL 20 1HG2 VAL 20 1.691 24.336 9.253
169 HG22 VAL 20 2HG2 VAL 20 2.071 23.971 10.936
170 HG23 VAL 20 3HG2 VAL 20 3.217 24.879 9.951
171 H SER 21 H SER 21 2.818 20.607 11.565
172 HA SER 21 HA SER 21 1.679 22.001 13.699
173 HB2 SER 21 2HB SER 21 1.447 19.450 12.647
174 HB3 SER 21 3HB SER 21 2.092 19.163 14.263
175 HG SER 21 HG SER 21 0.087 19.410 14.846
176 H MET 22 H MET 22 4.357 19.644 13.814
177 HA MET 22 HA MET 22 5.010 20.024 16.501
178 HB2 MET 22 2HB MET 22 6.527 19.014 14.122
179 HB3 MET 22 3HB MET 22 7.358 19.243 15.655
180 HG2 MET 22 2HG MET 22 5.346 17.834 16.583
181 HG3 MET 22 3HG MET 22 5.249 17.288 14.911
182 HE1 MET 22 1HE MET 22 7.560 17.015 13.662
183 HE2 MET 22 2HE MET 22 8.952 17.501 14.629
184 HE3 MET 22 3HE MET 22 8.700 15.799 14.239
185 H ALA 23 H ALA 23 5.907 21.831 13.643
186 HA ALA 23 HA ALA 23 8.016 23.325 14.819
187 HB1 ALA 23 1HB ALA 23 7.302 24.941 12.848
188 HB2 ALA 23 2HB ALA 23 8.161 23.430 12.548
189 HB3 ALA 23 3HB ALA 23 6.413 23.510 12.327
190 H THR 24 H THR 24 4.595 24.087 14.198
191 HA THR 24 HA THR 24 4.546 26.669 15.206
192 HB THR 24 HB THR 24 2.252 24.774 15.647
193 HG1 THR 24 HG1 THR 24 1.805 25.652 13.335
194 HG21 THR 24 1HG2 THR 24 2.069 27.116 16.432
195 HG22 THR 24 2HG2 THR 24 0.906 26.731 15.163
196 HG23 THR 24 3HG2 THR 24 2.352 27.666 14.781
197 H ALA 25 H ALA 25 4.057 23.602 16.925
198 HA ALA 25 HA ALA 25 3.530 24.752 19.452
199 HB1 ALA 25 1HB ALA 25 2.846 22.591 19.463
200 HB2 ALA 25 2HB ALA 25 4.174 22.048 18.437
201 HB3 ALA 25 3HB ALA 25 4.451 22.349 20.153
202 H SER 26 H SER 26 6.486 23.153 18.246
203 HA SER 26 HA SER 26 8.115 23.735 20.422
204 HB2 SER 26 2HB SER 26 8.897 22.149 18.826
205 HB3 SER 26 3HB SER 26 8.769 23.309 17.504
206 HG SER 26 HG SER 26 10.460 23.836 19.689
207 H SER 27 H SER 27 7.119 25.738 17.758
208 HA SER 27 HA SER 27 9.090 27.727 17.892
209 HB2 SER 27 2HB SER 27 7.850 28.111 16.028
210 HB3 SER 27 3HB SER 27 6.372 27.487 16.760
211 HG SER 27 HG SER 27 6.350 29.779 16.337
212 H GLN 28 H GLN 28 5.945 27.482 19.525
213 HA GLN 28 HA GLN 28 6.923 29.421 21.507
214 HB2 GLN 28 2HB GLN 28 4.251 29.369 20.122
215 HB3 GLN 28 3HB GLN 28 4.474 30.171 21.671
216 HG2 GLN 28 2HG GLN 28 6.429 30.896 19.607
217 HG3 GLN 28 3HG GLN 28 4.764 31.363 19.263
218 HE21 GLN 28 1HE2 GLN 28 7.560 32.382 20.605
219 HE22 GLN 28 2HE2 GLN 28 6.950 33.570 21.702
220 H VAL 29 H VAL 29 3.928 27.538 21.121
221 HA VAL 29 HA VAL 29 4.526 25.540 22.988
222 HB VAL 29 HB VAL 29 4.582 27.262 24.673
223 HG11 VAL 29 1HG1 VAL 29 3.262 28.945 23.455
224 HG12 VAL 29 2HG1 VAL 29 1.798 28.017 23.789
225 HG13 VAL 29 3HG1 VAL 29 2.709 28.737 25.117
226 HG21 VAL 29 1HG2 VAL 29 1.983 25.738 24.826
227 HG22 VAL 29 2HG2 VAL 29 3.569 25.116 25.283
228 HG23 VAL 29 3HG2 VAL 29 2.851 26.449 26.186
229 H LEU 30 H LEU 30 2.146 27.547 21.410
230 HA LEU 30 HA LEU 30 0.206 27.022 20.337
231 HB2 LEU 30 2HB LEU 30 1.675 24.729 20.153
232 HB3 LEU 30 3HB LEU 30 0.218 24.158 20.963
233 HG LEU 30 HG LEU 30 -0.868 25.571 18.925
234 HD11 LEU 30 1HD1 LEU 30 1.386 24.185 17.554
235 HD12 LEU 30 2HD1 LEU 30 1.619 25.827 18.152
236 HD13 LEU 30 3HD1 LEU 30 0.345 25.488 16.980
237 HD21 LEU 30 1HD2 LEU 30 -1.424 23.484 17.975
238 HD22 LEU 30 2HD2 LEU 30 -1.256 23.194 19.706
239 HD23 LEU 30 3HD2 LEU 30 0.037 22.720 18.603
240 H ILE 31 H ILE 31 -1.016 28.097 21.903
241 HA ILE 31 HA ILE 31 -2.722 26.344 23.474
242 HB ILE 31 HB ILE 31 -2.498 27.724 25.514
243 HG12 ILE 31 2HG1 ILE 31 0.023 28.877 25.242
244 HG13 ILE 31 3HG1 ILE 31 -0.799 29.284 23.740
245 HG21 ILE 31 1HG2 ILE 31 -1.286 25.602 25.270
246 HG22 ILE 31 2HG2 ILE 31 0.093 26.477 24.607
247 HG23 ILE 31 3HG2 ILE 31 -0.407 26.754 26.275
248 HD11 ILE 31 1HD1 ILE 31 -1.056 30.501 26.271
249 HD12 ILE 31 2HD1 ILE 31 -1.895 30.897 24.771
250 HD13 ILE 31 3HD1 ILE 31 -2.596 29.730 25.892
251 HA PRO 32 HA PRO 32 -5.839 29.195 22.272
252 HB2 PRO 32 2HB PRO 32 -7.602 28.915 24.318
253 HB3 PRO 32 3HB PRO 32 -7.363 27.676 23.080
254 HG2 PRO 32 2HG PRO 32 -6.241 27.827 25.851
255 HG3 PRO 32 3HG PRO 32 -6.916 26.431 24.992
256 HD2 PRO 32 2HD PRO 32 -4.251 26.845 25.230
257 HD3 PRO 32 3HD PRO 32 -4.972 26.057 23.812
258 H GLU 33 H GLU 33 -6.458 31.302 22.554
259 HA GLU 33 HA GLU 33 -5.961 32.629 25.097
260 HB2 GLU 33 2HB GLU 33 -4.128 32.792 22.921
261 HB3 GLU 33 3HB GLU 33 -4.917 34.355 23.084
262 HG2 GLU 33 2HG GLU 33 -3.759 32.963 25.464
263 HG3 GLU 33 3HG GLU 33 -2.746 33.918 24.383
264 H ILE 34 H ILE 34 -6.892 33.105 21.697
265 HA ILE 34 HA ILE 34 -9.441 34.156 22.404
266 HB ILE 34 HB ILE 34 -8.199 36.162 22.936
267 HG12 ILE 34 2HG1 ILE 34 -9.209 37.045 20.324
268 HG13 ILE 34 3HG1 ILE 34 -10.335 36.025 21.213
269 HG21 ILE 34 1HG2 ILE 34 -6.226 35.596 21.511
270 HG22 ILE 34 2HG2 ILE 34 -7.149 36.144 20.113
271 HG23 ILE 34 3HG2 ILE 34 -6.746 37.277 21.403
272 HD11 ILE 34 1HD1 ILE 34 -10.976 37.918 22.191
273 HD12 ILE 34 2HD1 ILE 34 -9.491 37.775 23.133
274 HD13 ILE 34 3HD1 ILE 34 -9.523 38.780 21.684
275 H ASN 35 H ASN 35 -6.913 33.867 19.961
276 HA ASN 35 HA ASN 35 -8.940 33.002 18.041
277 HB2 ASN 35 2HB ASN 35 -7.946 35.558 17.906
278 HB3 ASN 35 3HB ASN 35 -6.864 34.686 16.823
279 HD21 ASN 35 1HD2 ASN 35 -10.327 34.423 17.550
280 HD22 ASN 35 2HD2 ASN 35 -10.855 34.581 15.913
281 H LEU 36 H LEU 36 -7.088 31.476 19.527
282 HA LEU 36 HA LEU 36 -4.737 30.899 18.054
283 HB2 LEU 36 2HB LEU 36 -4.986 30.338 20.415
284 HB3 LEU 36 3HB LEU 36 -6.267 29.195 20.016
285 HG LEU 36 HG LEU 36 -3.910 28.294 20.530
286 HD11 LEU 36 1HD1 LEU 36 -4.486 26.393 19.451
287 HD12 LEU 36 2HD1 LEU 36 -4.802 27.221 17.927
288 HD13 LEU 36 3HD1 LEU 36 -6.002 27.264 19.218
289 HD21 LEU 36 1HD2 LEU 36 -2.263 28.399 18.921
290 HD22 LEU 36 2HD2 LEU 36 -2.957 30.018 18.825
291 HD23 LEU 36 3HD2 LEU 36 -3.399 28.796 17.631
292 H ASN 37 H ASN 37 -7.874 29.227 18.273
293 HA ASN 37 HA ASN 37 -7.326 27.174 16.467
294 HB2 ASN 37 2HB ASN 37 -9.480 27.891 18.002
295 HB3 ASN 37 3HB ASN 37 -10.083 28.191 16.375
296 HD21 ASN 37 1HD2 ASN 37 -9.659 25.910 18.752
297 HD22 ASN 37 2HD2 ASN 37 -9.901 24.485 17.806
298 H ASP 38 H ASP 38 -7.859 30.515 15.922
299 HA ASP 38 HA ASP 38 -8.666 30.227 13.164
300 HB2 ASP 38 2HB ASP 38 -8.681 32.312 15.101
301 HB3 ASP 38 3HB ASP 38 -7.734 32.868 13.723
302 H THR 39 H THR 39 -5.823 31.641 14.791
303 HA THR 39 HA THR 39 -4.271 32.063 12.528
304 HB THR 39 HB THR 39 -2.699 31.188 14.836
305 HG1 THR 39 HG1 THR 39 -3.757 32.223 16.343
306 HG21 THR 39 1HG2 THR 39 -1.641 32.541 13.214
307 HG22 THR 39 2HG2 THR 39 -1.908 33.598 14.600
308 HG23 THR 39 3HG2 THR 39 -2.971 33.698 13.197
309 H PHE 40 H PHE 40 -4.271 29.240 14.701
310 HA PHE 40 HA PHE 40 -2.349 27.748 13.319
311 HB2 PHE 40 2HB PHE 40 -3.394 27.336 15.645
312 HB3 PHE 40 3HB PHE 40 -4.660 26.481 14.770
313 HD1 PHE 40 HD1 PHE 40 -0.958 26.605 14.346
314 HD2 PHE 40 HD2 PHE 40 -4.403 24.224 15.101
315 HE1 PHE 40 HE1 PHE 40 0.440 24.580 14.315
316 HE2 PHE 40 HE2 PHE 40 -3.012 22.195 15.072
317 HZ PHE 40 HZ PHE 40 -0.587 22.372 14.679
318 H ASP 41 H ASP 41 -5.849 27.952 12.925
319 HA ASP 41 HA ASP 41 -6.205 25.849 11.123
320 HB2 ASP 41 2HB ASP 41 -7.713 28.259 11.908
321 HB3 ASP 41 3HB ASP 41 -8.085 27.639 10.302
322 H THR 42 H THR 42 -5.942 29.323 10.343
323 HA THR 42 HA THR 42 -5.745 29.018 7.577
324 HB THR 42 HB THR 42 -5.954 31.172 9.138
325 HG1 THR 42 HG1 THR 42 -6.368 31.660 7.106
326 HG21 THR 42 1HG2 THR 42 -3.486 30.823 9.786
327 HG22 THR 42 2HG2 THR 42 -4.002 32.448 9.334
328 HG23 THR 42 3HG2 THR 42 -3.122 31.449 8.178
329 H PHE 43 H PHE 43 -3.392 28.536 10.065
330 HA PHE 43 HA PHE 43 -1.090 28.744 8.371
331 HB2 PHE 43 2HB PHE 43 -1.121 29.066 10.891
332 HB3 PHE 43 3HB PHE 43 -1.251 27.315 11.025
333 HD1 PHE 43 HD1 PHE 43 0.769 26.686 11.986
334 HD2 PHE 43 HD2 PHE 43 0.769 29.309 8.633
335 HE1 PHE 43 HE1 PHE 43 3.218 26.493 11.839
336 HE2 PHE 43 HE2 PHE 43 3.217 29.119 8.481
337 HZ PHE 43 HZ PHE 43 4.445 27.710 10.084
338 H ALA 44 H ALA 44 -2.772 26.002 9.905
339 HA ALA 44 HA ALA 44 -1.246 24.016 8.576
340 HB1 ALA 44 1HB ALA 44 -2.893 22.442 9.424
341 HB2 ALA 44 2HB ALA 44 -2.433 23.594 10.679
342 HB3 ALA 44 3HB ALA 44 -3.974 23.773 9.840
343 H LEU 45 H LEU 45 -4.504 25.322 7.999
344 HA LEU 45 HA LEU 45 -5.321 23.761 5.902
345 HB2 LEU 45 2HB LEU 45 -6.930 25.241 6.555
346 HB3 LEU 45 3HB LEU 45 -5.796 26.585 6.678
347 HG LEU 45 HG LEU 45 -5.824 26.876 4.276
348 HD11 LEU 45 1HD1 LEU 45 -7.800 25.426 3.184
349 HD12 LEU 45 2HD1 LEU 45 -7.196 24.266 4.366
350 HD13 LEU 45 3HD1 LEU 45 -6.105 24.939 3.154
351 HD21 LEU 45 1HD2 LEU 45 -7.651 27.812 5.815
352 HD22 LEU 45 2HD2 LEU 45 -8.696 26.586 5.095
353 HD23 LEU 45 3HD2 LEU 45 -7.950 27.819 4.076
354 H ASP 46 H ASP 46 -3.653 26.894 5.522
355 HA ASP 46 HA ASP 46 -3.262 26.880 2.814
356 HB2 ASP 46 2HB ASP 46 -2.407 28.460 4.879
357 HB3 ASP 46 3HB ASP 46 -0.890 27.773 4.306
358 H PHE 47 H PHE 47 -1.126 25.425 5.256
359 HA PHE 47 HA PHE 47 0.838 24.463 3.532
360 HB2 PHE 47 2HB PHE 47 0.045 24.033 6.294
361 HB3 PHE 47 3HB PHE 47 0.655 22.556 5.557
362 HD1 PHE 47 HD1 PHE 47 2.830 23.119 3.979
363 HD2 PHE 47 HD2 PHE 47 1.601 25.214 7.475
364 HE1 PHE 47 HE1 PHE 47 5.138 23.904 4.317
365 HE2 PHE 47 HE2 PHE 47 3.906 26.003 7.817
366 HZ PHE 47 HZ PHE 47 5.678 25.348 6.237
367 H SER 48 H SER 48 -2.106 22.858 4.708
368 HA SER 48 HA SER 48 -1.775 20.378 3.537
369 HB2 SER 48 2HB SER 48 -3.629 20.406 4.893
370 HB3 SER 48 3HB SER 48 -4.138 22.004 4.345
371 HG SER 48 HG SER 48 -5.547 20.451 3.534
372 H ARG 49 H ARG 49 -3.237 23.291 2.127
373 HA ARG 49 HA ARG 49 -4.103 22.316 -0.286
374 HB2 ARG 49 2HB ARG 49 -4.158 24.726 0.704
375 HB3 ARG 49 3HB ARG 49 -2.650 24.937 -0.176
376 HG2 ARG 49 2HG ARG 49 -4.451 23.777 -1.987
377 HG3 ARG 49 3HG ARG 49 -5.341 25.043 -1.138
378 HD2 ARG 49 2HD ARG 49 -3.045 26.347 -1.614
379 HD3 ARG 49 3HD ARG 49 -3.044 25.242 -2.987
380 HE ARG 49 HE ARG 49 -5.570 26.389 -2.858
381 HH11 ARG 49 1HH1 ARG 49 -2.716 28.744 -4.386
382 HH12 ARG 49 2HH1 ARG 49 -2.281 27.404 -3.379
383 HH21 ARG 49 1HH2 ARG 49 -4.921 29.169 -4.842
384 HH22 ARG 49 2HH2 ARG 49 -6.156 28.151 -4.183
385 H GLU 50 H GLU 50 -0.819 23.338 0.572
386 HA GLU 50 HA GLU 50 0.247 22.804 -2.030
387 HB2 GLU 50 2HB GLU 50 1.122 24.151 0.244
388 HB3 GLU 50 3HB GLU 50 2.207 22.774 0.115
389 HG2 GLU 50 2HG GLU 50 1.830 24.009 -2.454
390 HG3 GLU 50 3HG GLU 50 2.359 25.192 -1.260
391 H LYS 51 H LYS 51 -0.205 20.981 0.898
392 HA LYS 51 HA LYS 51 1.635 18.910 0.459
393 HB2 LYS 51 2HB LYS 51 0.791 18.096 2.370
394 HB3 LYS 51 3HB LYS 51 -0.227 19.530 2.402
395 HG2 LYS 51 2HG LYS 51 -1.903 18.189 1.048
396 HG3 LYS 51 3HG LYS 51 -0.925 16.774 1.443
397 HD2 LYS 51 2HD LYS 51 -1.715 16.688 3.536
398 HD3 LYS 51 3HD LYS 51 -1.521 18.427 3.768
399 HE2 LYS 51 2HE LYS 51 -3.764 18.459 3.793
400 HE3 LYS 51 3HE LYS 51 -3.622 18.339 2.040
401 HZ1 LYS 51 1HZ LYS 51 -3.670 15.891 3.673
402 HZ2 LYS 51 2HZ LYS 51 -4.139 16.112 2.063
403 HZ3 LYS 51 3HZ LYS 51 -5.120 16.686 3.316
404 H LYS 52 H LYS 52 -1.571 19.490 -0.817
405 HA LYS 52 HA LYS 52 -1.818 16.863 -1.977
406 HB2 LYS 52 2HB LYS 52 -3.443 19.388 -2.308
407 HB3 LYS 52 3HB LYS 52 -3.838 17.862 -3.088
408 HG2 LYS 52 2HG LYS 52 -4.542 16.891 -1.152
409 HG3 LYS 52 3HG LYS 52 -3.468 17.863 -0.143
410 HD2 LYS 52 2HD LYS 52 -5.726 18.559 0.266
411 HD3 LYS 52 3HD LYS 52 -4.905 19.838 -0.631
412 HE2 LYS 52 2HE LYS 52 -6.273 17.828 -2.284
413 HE3 LYS 52 3HE LYS 52 -7.333 18.815 -1.279
414 HZ1 LYS 52 1HZ LYS 52 -5.996 19.514 -3.670
415 HZ2 LYS 52 2HZ LYS 52 -5.506 20.547 -2.423
416 HZ3 LYS 52 3HZ LYS 52 -7.148 20.396 -2.799
417 H LEU 53 H LEU 53 -1.454 20.157 -3.295
418 HA LEU 53 HA LEU 53 -1.220 19.540 -5.968
419 HB2 LEU 53 2HB LEU 53 -0.747 21.782 -4.319
420 HB3 LEU 53 3HB LEU 53 0.680 21.579 -5.331
421 HG LEU 53 HG LEU 53 -2.077 21.649 -6.517
422 HD11 LEU 53 1HD1 LEU 53 -1.214 23.710 -5.016
423 HD12 LEU 53 2HD1 LEU 53 -2.221 23.895 -6.452
424 HD13 LEU 53 3HD1 LEU 53 -0.475 24.120 -6.564
425 HD21 LEU 53 1HD2 LEU 53 0.253 22.776 -7.904
426 HD22 LEU 53 2HD2 LEU 53 -1.028 21.722 -8.502
427 HD23 LEU 53 3HD2 LEU 53 0.330 21.039 -7.606
428 H LEU 54 H LEU 54 1.071 19.034 -3.414
429 HA LEU 54 HA LEU 54 3.359 18.679 -5.092
430 HB2 LEU 54 2HB LEU 54 3.665 19.305 -2.795
431 HB3 LEU 54 3HB LEU 54 2.792 17.877 -2.244
432 HG LEU 54 HG LEU 54 5.383 17.953 -2.088
433 HD11 LEU 54 1HD1 LEU 54 3.735 15.998 -1.782
434 HD12 LEU 54 2HD1 LEU 54 5.435 15.631 -2.069
435 HD13 LEU 54 3HD1 LEU 54 4.270 15.494 -3.385
436 HD21 LEU 54 1HD2 LEU 54 5.280 16.793 -4.830
437 HD22 LEU 54 2HD2 LEU 54 6.634 17.512 -3.957
438 HD23 LEU 54 3HD2 LEU 54 5.380 18.545 -4.647
439 H GLU 55 H GLU 55 1.446 16.355 -3.170
440 HA GLU 55 HA GLU 55 2.582 14.031 -4.166
441 HB2 GLU 55 2HB GLU 55 0.965 14.256 -2.231
442 HB3 GLU 55 3HB GLU 55 -0.328 14.318 -3.420
443 HG2 GLU 55 2HG GLU 55 0.934 12.081 -4.216
444 HG3 GLU 55 3HG GLU 55 1.287 12.042 -2.490
445 H CYS 56 H CYS 56 -0.297 15.758 -5.341
446 HA CYS 56 HA CYS 56 0.221 14.866 -8.033
447 HB2 CYS 56 2HB CYS 56 -1.532 13.346 -6.406
448 HB3 CYS 56 3HB CYS 56 -2.532 14.224 -7.557
449 HG CYS 56 HG CYS 56 0.110 12.806 -9.002
450 H LEU 57 H LEU 57 0.133 16.808 -8.971
451 HA LEU 57 HA LEU 57 -1.270 19.037 -8.146
452 HB2 LEU 57 2HB LEU 57 -0.931 19.928 -10.372
453 HB3 LEU 57 3HB LEU 57 0.513 19.087 -9.812
454 HG LEU 57 HG LEU 57 -1.339 17.485 -11.456
455 HD11 LEU 57 1HD1 LEU 57 0.159 19.849 -12.561
456 HD12 LEU 57 2HD1 LEU 57 -1.563 19.494 -12.699
457 HD13 LEU 57 3HD1 LEU 57 -0.386 18.492 -13.547
458 HD21 LEU 57 1HD2 LEU 57 1.448 17.703 -12.245
459 HD22 LEU 57 2HD2 LEU 57 0.509 16.282 -11.785
460 HD23 LEU 57 3HD2 LEU 57 1.258 17.286 -10.542
461 H ASP 58 H ASP 58 -3.076 20.141 -9.315
462 HA ASP 58 HA ASP 58 -5.037 18.358 -10.522
463 HB2 ASP 58 2HB ASP 58 -5.414 19.759 -7.889
464 HB3 ASP 58 3HB ASP 58 -6.794 19.399 -8.923
465 H TYR 59 H TYR 59 -5.242 21.583 -9.035
466 HA TYR 59 HA TYR 59 -5.422 22.815 -11.668
467 HB2 TYR 59 2HB TYR 59 -7.735 22.253 -11.225
468 HB3 TYR 59 3HB TYR 59 -7.640 22.965 -9.618
469 HD1 TYR 59 HD1 TYR 59 -7.736 25.361 -9.310
470 HD2 TYR 59 HD2 TYR 59 -7.847 23.669 -13.213
471 HE1 TYR 59 HE1 TYR 59 -8.477 27.522 -10.219
472 HE2 TYR 59 HE2 TYR 59 -8.587 25.827 -14.133
473 HH TYR 59 HH TYR 59 -9.374 28.544 -12.041
474 H LEU 60 H LEU 60 -4.965 25.022 -11.681
475 HA LEU 60 HA LEU 60 -3.668 25.988 -9.241
476 HB2 LEU 60 2HB LEU 60 -3.139 26.205 -12.062
477 HB3 LEU 60 3HB LEU 60 -3.226 27.804 -11.327
478 HG LEU 60 HG LEU 60 -1.468 25.625 -10.227
479 HD11 LEU 60 1HD1 LEU 60 -1.112 27.274 -12.628
480 HD12 LEU 60 2HD1 LEU 60 -0.332 25.765 -12.157
481 HD13 LEU 60 3HD1 LEU 60 0.242 27.297 -11.498
482 HD21 LEU 60 1HD2 LEU 60 -0.943 28.550 -10.041
483 HD22 LEU 60 2HD2 LEU 60 -0.526 27.253 -8.920
484 HD23 LEU 60 3HD2 LEU 60 -2.187 27.843 -9.009
Start of MODEL 10
1 H LEU 1 H LEU 1 8.534 3.680 6.052
2 HA LEU 1 HA LEU 1 10.670 1.765 5.756
3 HB2 LEU 1 2HB LEU 1 9.264 -0.205 6.082
4 HB3 LEU 1 3HB LEU 1 9.424 0.741 7.561
5 HG LEU 1 HG LEU 1 7.063 1.548 6.143
6 HD11 LEU 1 1HD1 LEU 1 7.506 -0.971 5.431
7 HD12 LEU 1 2HD1 LEU 1 5.889 -0.363 5.788
8 HD13 LEU 1 3HD1 LEU 1 6.778 -1.272 7.010
9 HD21 LEU 1 1HD2 LEU 1 7.900 1.426 8.701
10 HD22 LEU 1 2HD2 LEU 1 6.865 -0.001 8.642
11 HD23 LEU 1 3HD2 LEU 1 6.208 1.583 8.228
12 H LYS 2 H LYS 2 9.821 3.656 3.987
13 HA LYS 2 HA LYS 2 8.893 1.995 1.791
14 HB2 LYS 2 2HB LYS 2 7.505 4.597 2.456
15 HB3 LYS 2 3HB LYS 2 7.149 3.540 1.096
16 HG2 LYS 2 2HG LYS 2 6.432 1.790 2.645
17 HG3 LYS 2 3HG LYS 2 6.784 2.855 4.007
18 HD2 LYS 2 2HD LYS 2 4.811 3.867 3.802
19 HD3 LYS 2 3HD LYS 2 5.096 4.187 2.090
20 HE2 LYS 2 2HE LYS 2 4.532 1.579 1.945
21 HE3 LYS 2 3HE LYS 2 3.617 1.977 3.399
22 HZ1 LYS 2 1HZ LYS 2 3.307 3.761 1.114
23 HZ2 LYS 2 2HZ LYS 2 2.162 3.245 2.248
24 HZ3 LYS 2 3HZ LYS 2 2.613 2.224 0.976
25 H GLU 3 H GLU 3 9.653 2.645 -0.192
26 HA GLU 3 HA GLU 3 10.825 5.249 -0.570
27 HB2 GLU 3 2HB GLU 3 12.483 2.880 0.033
28 HB3 GLU 3 3HB GLU 3 13.005 3.837 -1.346
29 HG2 GLU 3 2HG GLU 3 12.614 5.806 0.417
30 HG3 GLU 3 3HG GLU 3 13.001 4.495 1.530
31 H ASN 4 H ASN 4 9.324 5.344 -2.269
32 HA ASN 4 HA ASN 4 10.251 4.083 -4.714
33 HB2 ASN 4 2HB ASN 4 7.347 3.828 -3.920
34 HB3 ASN 4 3HB ASN 4 8.142 3.119 -5.323
35 HD21 ASN 4 1HD2 ASN 4 9.467 1.325 -5.056
36 HD22 ASN 4 2HD2 ASN 4 9.426 0.361 -3.622
37 H ASP 5 H ASP 5 8.335 4.792 -6.461
38 HA ASP 5 HA ASP 5 8.771 7.513 -6.885
39 HB2 ASP 5 2HB ASP 5 7.764 5.490 -8.388
40 HB3 ASP 5 3HB ASP 5 6.294 6.399 -8.049
41 H HIS 6 H HIS 6 5.636 6.008 -6.077
42 HA HIS 6 HA HIS 6 4.438 8.482 -5.362
43 HB2 HIS 6 2HB HIS 6 3.333 6.241 -6.104
44 HB3 HIS 6 3HB HIS 6 3.416 5.830 -4.394
45 HD1 HIS 6 HD1 HIS 6 0.695 5.835 -4.884
46 HD2 HIS 6 HD2 HIS 6 2.632 9.504 -4.667
47 HE1 HIS 6 HE1 HIS 6 -1.116 7.528 -4.463
48 H ALA 7 H ALA 7 5.815 5.811 -3.486
49 HA ALA 7 HA ALA 7 5.139 6.610 -0.929
50 HB1 ALA 7 1HB ALA 7 7.356 5.019 -2.091
51 HB2 ALA 7 2HB ALA 7 7.521 5.553 -0.417
52 HB3 ALA 7 3HB ALA 7 6.139 4.568 -0.896
53 H ARG 8 H ARG 8 7.601 7.877 -3.068
54 HA ARG 8 HA ARG 8 8.937 9.419 -1.056
55 HB2 ARG 8 2HB ARG 8 10.179 8.741 -3.006
56 HB3 ARG 8 3HB ARG 8 9.019 9.519 -4.073
57 HG2 ARG 8 2HG ARG 8 9.953 11.540 -3.822
58 HG3 ARG 8 3HG ARG 8 10.246 11.303 -2.098
59 HD2 ARG 8 2HD ARG 8 11.871 9.685 -3.969
60 HD3 ARG 8 3HD ARG 8 12.208 11.415 -3.915
61 HE ARG 8 HE ARG 8 12.103 10.489 -1.289
62 HH11 ARG 8 1HH1 ARG 8 15.505 9.726 -3.258
63 HH12 ARG 8 2HH1 ARG 8 14.054 10.068 -4.142
64 HH21 ARG 8 1HH2 ARG 8 15.476 9.709 -0.967
65 HH22 ARG 8 2HH2 ARG 8 14.006 10.040 -0.115
66 H PHE 9 H PHE 9 6.716 10.216 -3.722
67 HA PHE 9 HA PHE 9 6.531 12.957 -3.233
68 HB2 PHE 9 2HB PHE 9 5.254 11.049 -4.921
69 HB3 PHE 9 3HB PHE 9 4.001 12.018 -4.154
70 HD1 PHE 9 HD1 PHE 9 3.276 13.768 -5.430
71 HD2 PHE 9 HD2 PHE 9 7.380 12.658 -5.614
72 HE1 PHE 9 HE1 PHE 9 3.690 15.580 -7.042
73 HE2 PHE 9 HE2 PHE 9 7.801 14.468 -7.226
74 HZ PHE 9 HZ PHE 9 5.955 15.932 -7.942
75 H LEU 10 H LEU 10 4.780 10.247 -1.827
76 HA LEU 10 HA LEU 10 2.854 11.794 -0.435
77 HB2 LEU 10 2HB LEU 10 3.366 9.087 -0.858
78 HB3 LEU 10 3HB LEU 10 3.513 9.308 0.884
79 HG LEU 10 HG LEU 10 1.128 10.582 -0.155
80 HD11 LEU 10 1HD1 LEU 10 0.163 8.072 -0.346
81 HD12 LEU 10 2HD1 LEU 10 1.758 7.856 -1.066
82 HD13 LEU 10 3HD1 LEU 10 0.645 9.051 -1.732
83 HD21 LEU 10 1HD2 LEU 10 0.097 9.180 1.614
84 HD22 LEU 10 2HD2 LEU 10 1.453 10.152 2.187
85 HD23 LEU 10 3HD2 LEU 10 1.669 8.428 1.884
86 H GLN 11 H GLN 11 5.914 10.295 0.583
87 HA GLN 11 HA GLN 11 5.887 11.014 3.255
88 HB2 GLN 11 2HB GLN 11 7.563 9.528 2.142
89 HB3 GLN 11 3HB GLN 11 8.328 10.964 1.475
90 HG2 GLN 11 2HG GLN 11 8.594 11.761 3.863
91 HG3 GLN 11 3HG GLN 11 8.135 10.130 4.351
92 HE21 GLN 11 1HE2 GLN 11 10.541 12.074 2.745
93 HE22 GLN 11 2HE2 GLN 11 11.809 10.902 2.795
94 H THR 12 H THR 12 6.479 12.967 0.444
95 HA THR 12 HA THR 12 7.685 15.157 1.845
96 HB THR 12 HB THR 12 6.529 14.895 -0.927
97 HG1 THR 12 HG1 THR 12 8.673 14.006 -0.253
98 HG21 THR 12 1HG2 THR 12 7.823 17.188 -1.150
99 HG22 THR 12 2HG2 THR 12 7.405 17.325 0.558
100 HG23 THR 12 3HG2 THR 12 6.134 17.138 -0.650
101 H ALA 13 H ALA 13 4.521 14.801 0.227
102 HA ALA 13 HA ALA 13 3.356 17.155 1.051
103 HB1 ALA 13 1HB ALA 13 1.282 15.298 1.131
104 HB2 ALA 13 2HB ALA 13 1.797 16.260 -0.255
105 HB3 ALA 13 3HB ALA 13 2.444 14.636 -0.019
106 H LYS 14 H LYS 14 3.700 14.136 2.827
107 HA LYS 14 HA LYS 14 2.054 14.954 5.023
108 HB2 LYS 14 2HB LYS 14 2.634 12.557 4.286
109 HB3 LYS 14 3HB LYS 14 4.156 12.801 5.133
110 HG2 LYS 14 2HG LYS 14 3.060 11.961 6.889
111 HG3 LYS 14 3HG LYS 14 2.372 13.581 7.024
112 HD2 LYS 14 2HD LYS 14 0.465 12.862 5.641
113 HD3 LYS 14 3HD LYS 14 1.148 11.236 5.568
114 HE2 LYS 14 2HE LYS 14 0.522 10.739 7.681
115 HE3 LYS 14 3HE LYS 14 0.830 12.372 8.269
116 HZ1 LYS 14 1HZ LYS 14 -1.242 13.054 7.109
117 HZ2 LYS 14 2HZ LYS 14 -1.495 11.972 8.384
118 HZ3 LYS 14 3HZ LYS 14 -1.557 11.423 6.785
119 H ASN 15 H ASN 15 5.555 14.732 4.471
120 HA ASN 15 HA ASN 15 6.398 15.544 7.006
121 HB2 ASN 15 2HB ASN 15 8.035 14.628 5.561
122 HB3 ASN 15 3HB ASN 15 7.664 15.779 4.281
123 HD21 ASN 15 1HD2 ASN 15 9.041 15.457 7.499
124 HD22 ASN 15 2HD2 ASN 15 10.083 16.831 7.390
125 H ILE 16 H ILE 16 4.968 17.336 4.445
126 HA ILE 16 HA ILE 16 5.958 19.910 5.206
127 HB ILE 16 HB ILE 16 3.592 19.136 3.498
128 HG12 ILE 16 2HG1 ILE 16 6.099 20.401 2.474
129 HG13 ILE 16 3HG1 ILE 16 6.117 18.683 2.859
130 HG21 ILE 16 1HG2 ILE 16 3.127 21.306 4.315
131 HG22 ILE 16 2HG2 ILE 16 4.798 21.823 4.101
132 HG23 ILE 16 3HG2 ILE 16 3.782 21.522 2.692
133 HD11 ILE 16 1HD1 ILE 16 5.248 18.264 0.875
134 HD12 ILE 16 2HD1 ILE 16 3.800 19.162 1.332
135 HD13 ILE 16 3HD1 ILE 16 5.136 19.990 0.534
136 H THR 17 H THR 17 2.757 18.364 5.509
137 HA THR 17 HA THR 17 1.753 20.411 7.234
138 HB THR 17 HB THR 17 0.457 17.732 7.193
139 HG1 THR 17 HG1 THR 17 0.995 19.292 4.933
140 HG21 THR 17 1HG2 THR 17 -0.524 19.703 8.345
141 HG22 THR 17 2HG2 THR 17 -1.563 19.052 7.077
142 HG23 THR 17 3HG2 THR 17 -0.630 20.519 6.786
143 H GLU 18 H GLU 18 3.514 17.479 7.692
144 HA GLU 18 HA GLU 18 2.782 17.126 10.452
145 HB2 GLU 18 2HB GLU 18 3.397 15.166 9.218
146 HB3 GLU 18 3HB GLU 18 4.925 15.884 8.729
147 HG2 GLU 18 2HG GLU 18 5.881 15.595 10.813
148 HG3 GLU 18 3HG GLU 18 4.321 15.467 11.623
149 H ARG 19 H ARG 19 5.483 18.532 8.674
150 HA ARG 19 HA ARG 19 7.110 19.020 10.955
151 HB2 ARG 19 2HB ARG 19 7.992 18.902 8.644
152 HB3 ARG 19 3HB ARG 19 7.147 20.396 8.263
153 HG2 ARG 19 2HG ARG 19 8.518 21.310 10.311
154 HG3 ARG 19 3HG ARG 19 9.579 19.957 9.913
155 HD2 ARG 19 2HD ARG 19 9.383 20.882 7.484
156 HD3 ARG 19 3HD ARG 19 8.888 22.370 8.290
157 HE ARG 19 HE ARG 19 11.294 21.311 9.393
158 HH11 ARG 19 1HH1 ARG 19 11.482 23.983 6.417
159 HH12 ARG 19 2HH1 ARG 19 10.003 23.134 6.723
160 HH21 ARG 19 1HH2 ARG 19 13.327 23.576 7.713
161 HH22 ARG 19 2HH2 ARG 19 13.247 22.422 9.000
162 H VAL 20 H VAL 20 4.904 21.058 9.059
163 HA VAL 20 HA VAL 20 5.295 23.472 10.368
164 HB VAL 20 HB VAL 20 3.967 23.379 8.360
165 HG11 VAL 20 1HG1 VAL 20 1.860 22.304 8.180
166 HG12 VAL 20 2HG1 VAL 20 2.966 21.129 8.893
167 HG13 VAL 20 3HG1 VAL 20 1.802 21.978 9.912
168 HG21 VAL 20 1HG2 VAL 20 2.033 24.735 9.044
169 HG22 VAL 20 2HG2 VAL 20 2.310 24.266 10.721
170 HG23 VAL 20 3HG2 VAL 20 3.513 25.230 9.865
171 H SER 21 H SER 21 3.053 20.839 11.170
172 HA SER 21 HA SER 21 1.760 22.072 13.317
173 HB2 SER 21 2HB SER 21 0.881 20.030 12.372
174 HB3 SER 21 3HB SER 21 2.343 19.145 12.811
175 HG SER 21 HG SER 21 1.671 19.006 14.819
176 H MET 22 H MET 22 4.449 19.727 13.444
177 HA MET 22 HA MET 22 4.929 19.935 16.187
178 HB2 MET 22 2HB MET 22 5.844 18.222 14.517
179 HB3 MET 22 3HB MET 22 7.087 19.411 14.152
180 HG2 MET 22 2HG MET 22 7.843 19.377 16.446
181 HG3 MET 22 3HG MET 22 6.546 18.266 16.881
182 HE1 MET 22 1HE MET 22 8.750 17.646 13.392
183 HE2 MET 22 2HE MET 22 9.320 18.930 14.458
184 HE3 MET 22 3HE MET 22 10.227 17.422 14.329
185 H ALA 23 H ALA 23 6.036 21.900 13.502
186 HA ALA 23 HA ALA 23 8.034 23.331 14.918
187 HB1 ALA 23 1HB ALA 23 7.908 23.193 12.450
188 HB2 ALA 23 2HB ALA 23 6.483 24.232 12.495
189 HB3 ALA 23 3HB ALA 23 8.041 24.847 13.047
190 H THR 24 H THR 24 4.801 24.402 13.844
191 HA THR 24 HA THR 24 4.733 26.802 15.229
192 HB THR 24 HB THR 24 2.238 25.162 14.925
193 HG1 THR 24 HG1 THR 24 2.780 24.916 12.888
194 HG21 THR 24 1HG2 THR 24 2.982 28.025 15.073
195 HG22 THR 24 2HG2 THR 24 1.555 27.190 15.689
196 HG23 THR 24 3HG2 THR 24 1.665 27.604 13.978
197 H ALA 25 H ALA 25 3.768 23.571 16.305
198 HA ALA 25 HA ALA 25 2.710 24.360 18.802
199 HB1 ALA 25 1HB ALA 25 2.683 22.058 19.365
200 HB2 ALA 25 2HB ALA 25 2.341 22.157 17.637
201 HB3 ALA 25 3HB ALA 25 3.947 21.686 18.192
202 H SER 26 H SER 26 5.835 22.803 18.052
203 HA SER 26 HA SER 26 6.935 23.028 20.604
204 HB2 SER 26 2HB SER 26 7.818 21.672 18.638
205 HB3 SER 26 3HB SER 26 8.541 23.168 18.050
206 HG SER 26 HG SER 26 9.198 21.621 20.281
207 H SER 27 H SER 27 6.607 25.372 18.063
208 HA SER 27 HA SER 27 8.571 27.214 18.846
209 HB2 SER 27 2HB SER 27 6.091 27.319 17.209
210 HB3 SER 27 3HB SER 27 6.730 28.857 17.789
211 HG SER 27 HG SER 27 7.842 28.586 15.974
212 H GLN 28 H GLN 28 5.153 26.946 19.767
213 HA GLN 28 HA GLN 28 5.726 28.718 22.050
214 HB2 GLN 28 2HB GLN 28 3.381 28.648 20.191
215 HB3 GLN 28 3HB GLN 28 3.152 29.177 21.852
216 HG2 GLN 28 2HG GLN 28 5.356 30.605 21.048
217 HG3 GLN 28 3HG GLN 28 4.354 30.560 19.598
218 HE21 GLN 28 1HE2 GLN 28 1.928 30.926 20.175
219 HE22 GLN 28 2HE2 GLN 28 1.627 32.300 21.179
220 H VAL 29 H VAL 29 2.915 26.737 21.157
221 HA VAL 29 HA VAL 29 3.385 24.604 22.900
222 HB VAL 29 HB VAL 29 3.210 26.130 24.740
223 HG11 VAL 29 1HG1 VAL 29 0.582 27.011 23.549
224 HG12 VAL 29 2HG1 VAL 29 1.234 27.535 25.102
225 HG13 VAL 29 3HG1 VAL 29 2.068 27.958 23.607
226 HG21 VAL 29 1HG2 VAL 29 2.121 23.936 24.987
227 HG22 VAL 29 2HG2 VAL 29 1.344 25.180 25.966
228 HG23 VAL 29 3HG2 VAL 29 0.596 24.649 24.460
229 H LEU 30 H LEU 30 1.059 26.704 21.335
230 HA LEU 30 HA LEU 30 -0.786 26.258 20.079
231 HB2 LEU 30 2HB LEU 30 0.829 24.294 19.410
232 HB3 LEU 30 3HB LEU 30 -0.341 23.318 20.296
233 HG LEU 30 HG LEU 30 -1.895 24.845 18.575
234 HD11 LEU 30 1HD1 LEU 30 0.662 24.970 17.543
235 HD12 LEU 30 2HD1 LEU 30 -0.838 25.240 16.657
236 HD13 LEU 30 3HD1 LEU 30 -0.086 23.645 16.651
237 HD21 LEU 30 1HD2 LEU 30 -2.406 22.755 17.549
238 HD22 LEU 30 2HD2 LEU 30 -2.115 22.448 19.261
239 HD23 LEU 30 3HD2 LEU 30 -0.873 22.056 18.071
240 H ILE 31 H ILE 31 -2.028 26.980 21.902
241 HA ILE 31 HA ILE 31 -3.871 24.944 22.821
242 HB ILE 31 HB ILE 31 -3.679 25.808 25.215
243 HG12 ILE 31 2HG1 ILE 31 -0.827 26.333 24.891
244 HG13 ILE 31 3HG1 ILE 31 -1.827 27.525 24.068
245 HG21 ILE 31 1HG2 ILE 31 -2.961 23.567 24.430
246 HG22 ILE 31 2HG2 ILE 31 -1.348 24.221 24.153
247 HG23 ILE 31 3HG2 ILE 31 -2.010 24.173 25.787
248 HD11 ILE 31 1HD1 ILE 31 -2.932 27.085 26.638
249 HD12 ILE 31 2HD1 ILE 31 -1.196 27.340 26.817
250 HD13 ILE 31 3HD1 ILE 31 -2.184 28.545 25.991
251 HA PRO 32 HA PRO 32 -6.783 28.214 22.507
252 HB2 PRO 32 2HB PRO 32 -8.605 27.492 24.386
253 HB3 PRO 32 3HB PRO 32 -8.418 26.636 22.851
254 HG2 PRO 32 2HG PRO 32 -7.350 25.928 25.556
255 HG3 PRO 32 3HG PRO 32 -8.094 24.877 24.337
256 HD2 PRO 32 2HD PRO 32 -5.414 25.027 24.691
257 HD3 PRO 32 3HD PRO 32 -6.152 24.719 23.106
258 H GLU 33 H GLU 33 -6.143 30.190 23.146
259 HA GLU 33 HA GLU 33 -6.208 30.780 26.030
260 HB2 GLU 33 2HB GLU 33 -3.895 30.767 25.435
261 HB3 GLU 33 3HB GLU 33 -4.200 31.702 23.978
262 HG2 GLU 33 2HG GLU 33 -4.736 33.651 25.282
263 HG3 GLU 33 3HG GLU 33 -4.597 32.729 26.778
264 H ILE 34 H ILE 34 -5.705 32.775 23.133
265 HA ILE 34 HA ILE 34 -8.190 34.216 23.782
266 HB ILE 34 HB ILE 34 -7.108 36.321 23.091
267 HG12 ILE 34 2HG1 ILE 34 -4.420 35.960 23.329
268 HG13 ILE 34 3HG1 ILE 34 -4.884 34.463 22.527
269 HG21 ILE 34 1HG2 ILE 34 -6.789 34.925 25.500
270 HG22 ILE 34 2HG2 ILE 34 -5.231 35.681 25.166
271 HG23 ILE 34 3HG2 ILE 34 -6.691 36.667 25.244
272 HD11 ILE 34 1HD1 ILE 34 -4.479 35.780 20.720
273 HD12 ILE 34 2HD1 ILE 34 -6.194 36.120 20.955
274 HD13 ILE 34 3HD1 ILE 34 -4.981 37.257 21.542
275 H ASN 35 H ASN 35 -5.850 33.274 21.325
276 HA ASN 35 HA ASN 35 -7.821 32.862 19.355
277 HB2 ASN 35 2HB ASN 35 -7.759 35.390 19.420
278 HB3 ASN 35 3HB ASN 35 -6.105 35.291 18.823
279 HD21 ASN 35 1HD2 ASN 35 -9.051 35.978 17.847
280 HD22 ASN 35 2HD2 ASN 35 -9.017 35.387 16.224
281 H LEU 36 H LEU 36 -6.303 30.981 19.780
282 HA LEU 36 HA LEU 36 -3.864 31.189 18.151
283 HB2 LEU 36 2HB LEU 36 -3.455 30.449 20.408
284 HB3 LEU 36 3HB LEU 36 -4.679 29.190 20.254
285 HG LEU 36 HG LEU 36 -2.594 28.935 18.250
286 HD11 LEU 36 1HD1 LEU 36 -1.782 28.773 21.148
287 HD12 LEU 36 2HD1 LEU 36 -1.202 29.953 19.973
288 HD13 LEU 36 3HD1 LEU 36 -0.815 28.244 19.771
289 HD21 LEU 36 1HD2 LEU 36 -3.689 27.153 20.421
290 HD22 LEU 36 2HD2 LEU 36 -2.540 26.637 19.186
291 HD23 LEU 36 3HD2 LEU 36 -4.156 27.169 18.720
292 H ASN 37 H ASN 37 -6.815 29.325 18.626
293 HA ASN 37 HA ASN 37 -6.376 27.267 16.810
294 HB2 ASN 37 2HB ASN 37 -8.793 28.595 17.937
295 HB3 ASN 37 3HB ASN 37 -9.017 27.555 16.534
296 HD21 ASN 37 1HD2 ASN 37 -8.915 27.653 19.833
297 HD22 ASN 37 2HD2 ASN 37 -8.662 25.974 20.155
298 H ASP 38 H ASP 38 -7.851 30.454 16.254
299 HA ASP 38 HA ASP 38 -8.405 30.133 13.533
300 HB2 ASP 38 2HB ASP 38 -9.025 32.046 15.227
301 HB3 ASP 38 3HB ASP 38 -7.558 32.797 14.605
302 H THR 39 H THR 39 -5.570 31.629 15.087
303 HA THR 39 HA THR 39 -4.150 32.244 12.772
304 HB THR 39 HB THR 39 -2.286 31.441 14.781
305 HG1 THR 39 HG1 THR 39 -3.168 32.728 16.515
306 HG21 THR 39 1HG2 THR 39 -2.190 34.042 14.994
307 HG22 THR 39 2HG2 THR 39 -3.282 34.008 13.610
308 HG23 THR 39 3HG2 THR 39 -1.686 33.268 13.492
309 H PHE 40 H PHE 40 -3.853 29.354 14.840
310 HA PHE 40 HA PHE 40 -1.953 28.021 13.281
311 HB2 PHE 40 2HB PHE 40 -2.688 27.435 15.631
312 HB3 PHE 40 3HB PHE 40 -4.108 26.679 14.917
313 HD1 PHE 40 HD1 PHE 40 -0.561 26.659 13.798
314 HD2 PHE 40 HD2 PHE 40 -3.861 24.408 15.266
315 HE1 PHE 40 HE1 PHE 40 0.716 24.581 13.473
316 HE2 PHE 40 HE2 PHE 40 -2.589 22.327 14.945
317 HZ PHE 40 HZ PHE 40 -0.297 22.411 14.047
318 H ASP 41 H ASP 41 -5.483 27.994 13.145
319 HA ASP 41 HA ASP 41 -5.826 25.945 11.283
320 HB2 ASP 41 2HB ASP 41 -7.431 28.192 12.297
321 HB3 ASP 41 3HB ASP 41 -7.868 27.662 10.675
322 H THR 42 H THR 42 -5.916 29.449 10.608
323 HA THR 42 HA THR 42 -5.902 29.284 7.842
324 HB THR 42 HB THR 42 -6.045 31.353 9.531
325 HG1 THR 42 HG1 THR 42 -4.984 31.927 6.991
326 HG21 THR 42 1HG2 THR 42 -3.536 31.116 9.944
327 HG22 THR 42 2HG2 THR 42 -4.130 32.727 9.539
328 HG23 THR 42 3HG2 THR 42 -3.323 31.749 8.313
329 H PHE 43 H PHE 43 -3.298 28.865 10.098
330 HA PHE 43 HA PHE 43 -1.173 29.233 8.224
331 HB2 PHE 43 2HB PHE 43 -0.982 29.430 10.741
332 HB3 PHE 43 3HB PHE 43 -1.057 27.672 10.807
333 HD1 PHE 43 HD1 PHE 43 1.063 27.115 11.607
334 HD2 PHE 43 HD2 PHE 43 0.690 29.769 8.300
335 HE1 PHE 43 HE1 PHE 43 3.494 26.999 11.244
336 HE2 PHE 43 HE2 PHE 43 3.120 29.656 7.932
337 HZ PHE 43 HZ PHE 43 4.525 28.270 9.404
338 H ALA 44 H ALA 44 -2.385 26.297 9.853
339 HA ALA 44 HA ALA 44 -0.962 24.451 8.332
340 HB1 ALA 44 1HB ALA 44 -1.899 23.534 10.221
341 HB2 ALA 44 2HB ALA 44 -3.463 24.304 9.951
342 HB3 ALA 44 3HB ALA 44 -2.980 22.921 8.969
343 H LEU 45 H LEU 45 -4.240 25.728 7.829
344 HA LEU 45 HA LEU 45 -5.091 24.249 5.702
345 HB2 LEU 45 2HB LEU 45 -6.662 25.756 6.381
346 HB3 LEU 45 3HB LEU 45 -5.495 27.068 6.534
347 HG LEU 45 HG LEU 45 -5.512 27.407 4.135
348 HD11 LEU 45 1HD1 LEU 45 -6.852 24.809 4.167
349 HD12 LEU 45 2HD1 LEU 45 -5.902 25.584 2.900
350 HD13 LEU 45 3HD1 LEU 45 -7.605 25.996 3.102
351 HD21 LEU 45 1HD2 LEU 45 -8.394 27.312 4.448
352 HD22 LEU 45 2HD2 LEU 45 -7.318 28.702 4.291
353 HD23 LEU 45 3HD2 LEU 45 -7.590 27.969 5.873
354 H ASP 46 H ASP 46 -3.341 27.343 5.367
355 HA ASP 46 HA ASP 46 -2.965 27.342 2.649
356 HB2 ASP 46 2HB ASP 46 -2.106 28.915 4.714
357 HB3 ASP 46 3HB ASP 46 -0.591 28.213 4.152
358 H PHE 47 H PHE 47 -0.824 25.884 5.088
359 HA PHE 47 HA PHE 47 1.121 24.902 3.353
360 HB2 PHE 47 2HB PHE 47 0.324 24.456 6.125
361 HB3 PHE 47 3HB PHE 47 0.993 23.011 5.374
362 HD1 PHE 47 HD1 PHE 47 3.157 23.651 3.827
363 HD2 PHE 47 HD2 PHE 47 1.824 25.703 7.310
364 HE1 PHE 47 HE1 PHE 47 5.432 24.519 4.184
365 HE2 PHE 47 HE2 PHE 47 4.096 26.575 7.671
366 HZ PHE 47 HZ PHE 47 5.904 25.983 6.106
367 H SER 48 H SER 48 -1.603 23.089 4.778
368 HA SER 48 HA SER 48 -1.280 20.722 3.398
369 HB2 SER 48 2HB SER 48 -3.024 21.501 5.245
370 HB3 SER 48 3HB SER 48 -4.064 21.708 3.835
371 HG SER 48 HG SER 48 -4.392 19.642 4.247
372 H ARG 49 H ARG 49 -3.090 23.608 2.413
373 HA ARG 49 HA ARG 49 -4.334 22.784 0.142
374 HB2 ARG 49 2HB ARG 49 -4.185 25.140 1.182
375 HB3 ARG 49 3HB ARG 49 -2.776 25.356 0.152
376 HG2 ARG 49 2HG ARG 49 -4.764 24.352 -1.528
377 HG3 ARG 49 3HG ARG 49 -5.569 25.540 -0.500
378 HD2 ARG 49 2HD ARG 49 -3.661 27.109 -1.057
379 HD3 ARG 49 3HD ARG 49 -3.183 25.942 -2.289
380 HE ARG 49 HE ARG 49 -5.797 26.403 -2.834
381 HH11 ARG 49 1HH1 ARG 49 -3.610 29.697 -3.460
382 HH12 ARG 49 2HH1 ARG 49 -3.030 28.466 -2.387
383 HH21 ARG 49 1HH2 ARG 49 -5.626 29.439 -4.518
384 HH22 ARG 49 2HH2 ARG 49 -6.572 28.015 -4.249
385 H GLU 50 H GLU 50 -0.919 23.705 0.424
386 HA GLU 50 HA GLU 50 -0.376 23.148 -2.344
387 HB2 GLU 50 2HB GLU 50 1.002 24.369 -0.129
388 HB3 GLU 50 3HB GLU 50 2.047 23.188 -0.907
389 HG2 GLU 50 2HG GLU 50 1.298 24.360 -3.100
390 HG3 GLU 50 3HG GLU 50 0.856 25.684 -2.023
391 H LYS 51 H LYS 51 -0.056 21.461 0.711
392 HA LYS 51 HA LYS 51 1.610 19.362 -0.145
393 HB2 LYS 51 2HB LYS 51 1.307 18.514 1.936
394 HB3 LYS 51 3HB LYS 51 0.606 20.097 2.245
395 HG2 LYS 51 2HG LYS 51 -1.036 18.782 3.098
396 HG3 LYS 51 3HG LYS 51 -1.596 18.893 1.427
397 HD2 LYS 51 2HD LYS 51 -0.043 16.760 1.161
398 HD3 LYS 51 3HD LYS 51 -0.387 16.601 2.885
399 HE2 LYS 51 2HE LYS 51 -2.779 16.646 2.420
400 HE3 LYS 51 3HE LYS 51 -2.454 16.853 0.700
401 HZ1 LYS 51 1HZ LYS 51 -2.325 14.464 2.331
402 HZ2 LYS 51 2HZ LYS 51 -1.047 14.647 1.238
403 HZ3 LYS 51 3HZ LYS 51 -2.643 14.632 0.677
404 H LYS 52 H LYS 52 -1.793 19.954 -0.540
405 HA LYS 52 HA LYS 52 -2.471 17.264 -1.270
406 HB2 LYS 52 2HB LYS 52 -4.207 18.633 -0.352
407 HB3 LYS 52 3HB LYS 52 -3.927 19.893 -1.546
408 HG2 LYS 52 2HG LYS 52 -5.925 18.708 -2.120
409 HG3 LYS 52 3HG LYS 52 -4.679 18.327 -3.310
410 HD2 LYS 52 2HD LYS 52 -5.718 16.273 -2.799
411 HD3 LYS 52 3HD LYS 52 -4.189 16.260 -1.918
412 HE2 LYS 52 2HE LYS 52 -5.231 16.105 0.045
413 HE3 LYS 52 3HE LYS 52 -6.308 17.444 -0.347
414 HZ1 LYS 52 1HZ LYS 52 -7.210 15.362 -1.872
415 HZ2 LYS 52 2HZ LYS 52 -7.912 15.931 -0.442
416 HZ3 LYS 52 3HZ LYS 52 -6.821 14.638 -0.393
417 H LEU 53 H LEU 53 -2.147 20.308 -3.096
418 HA LEU 53 HA LEU 53 -2.596 19.331 -5.640
419 HB2 LEU 53 2HB LEU 53 -1.556 21.703 -4.473
420 HB3 LEU 53 3HB LEU 53 -0.488 21.231 -5.793
421 HG LEU 53 HG LEU 53 -2.481 21.183 -7.294
422 HD11 LEU 53 1HD1 LEU 53 -4.381 22.693 -6.258
423 HD12 LEU 53 2HD1 LEU 53 -3.802 21.978 -4.754
424 HD13 LEU 53 3HD1 LEU 53 -4.381 20.941 -6.058
425 HD21 LEU 53 1HD2 LEU 53 -2.533 23.921 -6.250
426 HD22 LEU 53 2HD2 LEU 53 -2.095 23.322 -7.850
427 HD23 LEU 53 3HD2 LEU 53 -0.917 23.277 -6.537
428 H LEU 54 H LEU 54 0.168 18.916 -3.593
429 HA LEU 54 HA LEU 54 1.998 18.146 -5.647
430 HB2 LEU 54 2HB LEU 54 2.991 18.928 -3.682
431 HB3 LEU 54 3HB LEU 54 1.969 17.920 -2.659
432 HG LEU 54 HG LEU 54 3.874 16.554 -4.487
433 HD11 LEU 54 1HD1 LEU 54 4.736 17.839 -1.901
434 HD12 LEU 54 2HD1 LEU 54 5.186 18.401 -3.510
435 HD13 LEU 54 3HD1 LEU 54 5.714 16.814 -2.951
436 HD21 LEU 54 1HD2 LEU 54 3.926 15.561 -1.862
437 HD22 LEU 54 2HD2 LEU 54 3.139 14.849 -3.272
438 HD23 LEU 54 3HD2 LEU 54 2.239 15.938 -2.214
439 H GLU 55 H GLU 55 0.200 16.304 -3.180
440 HA GLU 55 HA GLU 55 0.973 13.761 -4.110
441 HB2 GLU 55 2HB GLU 55 -0.061 14.356 -1.859
442 HB3 GLU 55 3HB GLU 55 -1.612 14.373 -2.685
443 HG2 GLU 55 2HG GLU 55 -0.644 11.970 -3.467
444 HG3 GLU 55 3HG GLU 55 0.064 12.115 -1.859
445 H CYS 56 H CYS 56 -2.227 15.313 -4.413
446 HA CYS 56 HA CYS 56 -2.542 13.923 -6.992
447 HB2 CYS 56 2HB CYS 56 -4.126 13.674 -4.653
448 HB3 CYS 56 3HB CYS 56 -5.089 14.547 -5.838
449 HG CYS 56 HG CYS 56 -3.699 11.447 -6.236
450 H LEU 57 H LEU 57 -4.109 14.983 -8.467
451 HA LEU 57 HA LEU 57 -4.716 16.778 -9.724
452 HB2 LEU 57 2HB LEU 57 -5.431 17.399 -6.987
453 HB3 LEU 57 3HB LEU 57 -5.095 18.856 -7.920
454 HG LEU 57 HG LEU 57 -6.743 17.810 -9.644
455 HD11 LEU 57 1HD1 LEU 57 -8.220 16.659 -7.408
456 HD12 LEU 57 2HD1 LEU 57 -6.760 15.763 -7.825
457 HD13 LEU 57 3HD1 LEU 57 -7.993 16.058 -9.050
458 HD21 LEU 57 1HD2 LEU 57 -8.475 19.094 -8.739
459 HD22 LEU 57 2HD2 LEU 57 -7.006 19.854 -8.127
460 HD23 LEU 57 3HD2 LEU 57 -7.954 18.795 -7.081
461 H ASP 58 H ASP 58 -2.746 17.104 -10.751
462 HA ASP 58 HA ASP 58 -0.960 19.117 -9.568
463 HB2 ASP 58 2HB ASP 58 0.762 18.296 -11.056
464 HB3 ASP 58 3HB ASP 58 0.046 16.931 -10.203
465 H TYR 59 H TYR 59 -0.038 20.740 -11.008
466 HA TYR 59 HA TYR 59 -0.230 22.462 -12.480
467 HB2 TYR 59 2HB TYR 59 -0.045 20.579 -14.123
468 HB3 TYR 59 3HB TYR 59 -1.803 20.522 -14.184
469 HD1 TYR 59 HD1 TYR 59 -2.835 21.649 -15.909
470 HD2 TYR 59 HD2 TYR 59 0.947 23.034 -14.537
471 HE1 TYR 59 HE1 TYR 59 -2.834 23.369 -17.666
472 HE2 TYR 59 HE2 TYR 59 0.958 24.759 -16.290
473 HH TYR 59 HH TYR 59 -1.838 25.331 -18.322
474 H LEU 60 H LEU 60 -1.489 23.847 -11.294
475 HA LEU 60 HA LEU 60 -3.303 25.080 -10.694
476 HB2 LEU 60 2HB LEU 60 -3.639 24.384 -13.484
477 HB3 LEU 60 3HB LEU 60 -5.190 24.620 -12.683
478 HG LEU 60 HG LEU 60 -2.976 26.659 -12.600
479 HD11 LEU 60 1HD1 LEU 60 -5.256 26.397 -14.551
480 HD12 LEU 60 2HD1 LEU 60 -3.530 26.366 -14.913
481 HD13 LEU 60 3HD1 LEU 60 -4.284 27.854 -14.340
482 HD21 LEU 60 1HD2 LEU 60 -5.838 27.354 -12.367
483 HD22 LEU 60 2HD2 LEU 60 -4.435 28.016 -11.528
484 HD23 LEU 60 3HD2 LEU 60 -5.126 26.476 -11.013
Start of MODEL 11
1 H LEU 1 H LEU 1 7.472 0.934 5.868
2 HA LEU 1 HA LEU 1 8.991 2.935 5.498
3 HB2 LEU 1 2HB LEU 1 10.903 0.776 6.346
4 HB3 LEU 1 3HB LEU 1 11.420 2.195 5.438
5 HG LEU 1 HG LEU 1 9.936 3.057 7.719
6 HD11 LEU 1 1HD1 LEU 1 12.041 0.980 8.245
7 HD12 LEU 1 2HD1 LEU 1 10.398 1.066 8.880
8 HD13 LEU 1 3HD1 LEU 1 11.615 2.218 9.427
9 HD21 LEU 1 1HD2 LEU 1 11.604 4.368 6.520
10 HD22 LEU 1 2HD2 LEU 1 12.865 3.239 7.015
11 HD23 LEU 1 3HD2 LEU 1 12.030 4.216 8.224
12 H LYS 2 H LYS 2 9.156 3.281 3.377
13 HA LYS 2 HA LYS 2 9.964 1.139 1.584
14 HB2 LYS 2 2HB LYS 2 7.259 2.473 1.452
15 HB3 LYS 2 3HB LYS 2 7.969 1.608 0.095
16 HG2 LYS 2 2HG LYS 2 6.769 -0.095 0.951
17 HG3 LYS 2 3HG LYS 2 8.198 -0.283 1.970
18 HD2 LYS 2 2HD LYS 2 6.534 -0.298 3.554
19 HD3 LYS 2 3HD LYS 2 6.936 1.420 3.516
20 HE2 LYS 2 2HE LYS 2 4.836 1.896 2.978
21 HE3 LYS 2 3HE LYS 2 4.996 0.939 1.506
22 HZ1 LYS 2 1HZ LYS 2 3.151 0.245 2.994
23 HZ2 LYS 2 2HZ LYS 2 4.298 -0.214 4.149
24 HZ3 LYS 2 3HZ LYS 2 4.252 -0.993 2.648
25 H GLU 3 H GLU 3 9.963 2.020 -0.760
26 HA GLU 3 HA GLU 3 10.512 4.889 -0.858
27 HB2 GLU 3 2HB GLU 3 12.488 2.722 -1.556
28 HB3 GLU 3 3HB GLU 3 12.625 4.358 -2.185
29 HG2 GLU 3 2HG GLU 3 12.783 5.229 0.084
30 HG3 GLU 3 3HG GLU 3 12.622 3.596 0.727
31 H ASN 4 H ASN 4 8.298 3.633 -1.890
32 HA ASN 4 HA ASN 4 8.754 3.097 -4.704
33 HB2 ASN 4 2HB ASN 4 6.515 2.779 -2.802
34 HB3 ASN 4 3HB ASN 4 6.051 3.161 -4.458
35 HD21 ASN 4 1HD2 ASN 4 6.200 0.692 -2.528
36 HD22 ASN 4 2HD2 ASN 4 6.741 -0.561 -3.587
37 H ASP 5 H ASP 5 7.175 4.184 -6.277
38 HA ASP 5 HA ASP 5 7.776 6.899 -6.453
39 HB2 ASP 5 2HB ASP 5 5.630 5.244 -7.781
40 HB3 ASP 5 3HB ASP 5 5.904 6.938 -8.177
41 H HIS 6 H HIS 6 4.725 5.345 -5.480
42 HA HIS 6 HA HIS 6 3.452 7.819 -4.833
43 HB2 HIS 6 2HB HIS 6 2.295 5.651 -5.483
44 HB3 HIS 6 3HB HIS 6 2.641 5.081 -3.854
45 HD1 HIS 6 HD1 HIS 6 0.316 5.036 -2.912
46 HD2 HIS 6 HD2 HIS 6 1.254 8.678 -4.677
47 HE1 HIS 6 HE1 HIS 6 -1.587 6.575 -2.331
48 H ALA 7 H ALA 7 5.473 5.578 -3.130
49 HA ALA 7 HA ALA 7 4.763 6.290 -0.485
50 HB1 ALA 7 1HB ALA 7 6.340 4.814 0.150
51 HB2 ALA 7 2HB ALA 7 6.312 4.357 -1.553
52 HB3 ALA 7 3HB ALA 7 7.548 5.464 -0.958
53 H ARG 8 H ARG 8 7.626 7.219 -2.408
54 HA ARG 8 HA ARG 8 8.657 9.096 -0.647
55 HB2 ARG 8 2HB ARG 8 9.968 8.353 -2.514
56 HB3 ARG 8 3HB ARG 8 8.785 8.970 -3.659
57 HG2 ARG 8 2HG ARG 8 9.779 10.947 -3.704
58 HG3 ARG 8 3HG ARG 8 9.687 11.086 -1.948
59 HD2 ARG 8 2HD ARG 8 11.820 10.422 -1.655
60 HD3 ARG 8 3HD ARG 8 11.733 9.230 -2.951
61 HE ARG 8 HE ARG 8 12.700 11.916 -3.143
62 HH11 ARG 8 1HH1 ARG 8 11.776 9.854 -6.447
63 HH12 ARG 8 2HH1 ARG 8 11.196 9.318 -4.905
64 HH21 ARG 8 1HH2 ARG 8 13.071 11.738 -6.595
65 HH22 ARG 8 2HH2 ARG 8 13.471 12.631 -5.167
66 H PHE 9 H PHE 9 6.289 9.531 -3.247
67 HA PHE 9 HA PHE 9 6.045 12.309 -3.104
68 HB2 PHE 9 2HB PHE 9 4.489 10.087 -4.225
69 HB3 PHE 9 3HB PHE 9 3.516 11.486 -3.785
70 HD1 PHE 9 HD1 PHE 9 4.975 13.781 -4.454
71 HD2 PHE 9 HD2 PHE 9 4.939 10.030 -6.464
72 HE1 PHE 9 HE1 PHE 9 5.637 14.899 -6.544
73 HE2 PHE 9 HE2 PHE 9 5.602 11.141 -8.557
74 HZ PHE 9 HZ PHE 9 5.952 13.578 -8.599
75 H LEU 10 H LEU 10 4.223 9.773 -1.411
76 HA LEU 10 HA LEU 10 2.544 11.551 0.018
77 HB2 LEU 10 2HB LEU 10 2.805 8.781 -0.293
78 HB3 LEU 10 3HB LEU 10 3.017 9.085 1.430
79 HG LEU 10 HG LEU 10 0.753 10.561 0.583
80 HD11 LEU 10 1HD1 LEU 10 0.792 8.961 -1.354
81 HD12 LEU 10 2HD1 LEU 10 -0.677 8.934 -0.380
82 HD13 LEU 10 3HD1 LEU 10 0.529 7.662 -0.190
83 HD21 LEU 10 1HD2 LEU 10 -0.346 9.335 2.272
84 HD22 LEU 10 2HD2 LEU 10 1.325 9.500 2.811
85 HD23 LEU 10 3HD2 LEU 10 0.768 7.976 2.119
86 H GLN 11 H GLN 11 5.676 10.104 0.702
87 HA GLN 11 HA GLN 11 5.875 10.724 3.417
88 HB2 GLN 11 2HB GLN 11 7.802 10.164 1.228
89 HB3 GLN 11 3HB GLN 11 8.442 10.927 2.677
90 HG2 GLN 11 2HG GLN 11 6.926 8.918 3.724
91 HG3 GLN 11 3HG GLN 11 7.530 8.189 2.237
92 HE21 GLN 11 1HE2 GLN 11 10.000 9.282 2.004
93 HE22 GLN 11 2HE2 GLN 11 10.997 8.793 3.327
94 H THR 12 H THR 12 6.164 12.729 0.600
95 HA THR 12 HA THR 12 7.452 14.912 1.974
96 HB THR 12 HB THR 12 6.152 14.782 -0.752
97 HG1 THR 12 HG1 THR 12 8.000 13.672 -0.941
98 HG21 THR 12 1HG2 THR 12 6.101 17.034 -0.494
99 HG22 THR 12 2HG2 THR 12 7.813 16.895 -0.893
100 HG23 THR 12 3HG2 THR 12 7.308 17.021 0.792
101 H ALA 13 H ALA 13 4.227 14.420 0.531
102 HA ALA 13 HA ALA 13 3.036 16.784 1.301
103 HB1 ALA 13 1HB ALA 13 2.069 14.081 0.629
104 HB2 ALA 13 2HB ALA 13 0.943 15.108 1.518
105 HB3 ALA 13 3HB ALA 13 1.604 15.651 -0.025
106 H LYS 14 H LYS 14 3.303 13.767 3.151
107 HA LYS 14 HA LYS 14 1.872 14.737 5.412
108 HB2 LYS 14 2HB LYS 14 2.870 12.274 4.569
109 HB3 LYS 14 3HB LYS 14 3.784 12.638 6.026
110 HG2 LYS 14 2HG LYS 14 2.059 12.129 7.319
111 HG3 LYS 14 3HG LYS 14 0.987 13.199 6.413
112 HD2 LYS 14 2HD LYS 14 0.540 11.472 4.800
113 HD3 LYS 14 3HD LYS 14 1.745 10.414 5.537
114 HE2 LYS 14 2HE LYS 14 0.366 10.521 7.649
115 HE3 LYS 14 3HE LYS 14 -0.886 11.312 6.693
116 HZ1 LYS 14 1HZ LYS 14 -0.889 8.740 7.019
117 HZ2 LYS 14 2HZ LYS 14 0.218 8.766 5.741
118 HZ3 LYS 14 3HZ LYS 14 -1.331 9.412 5.531
119 H ASN 15 H ASN 15 5.328 14.370 4.685
120 HA ASN 15 HA ASN 15 6.348 15.217 7.134
121 HB2 ASN 15 2HB ASN 15 7.804 14.208 5.505
122 HB3 ASN 15 3HB ASN 15 7.479 15.492 4.344
123 HD21 ASN 15 1HD2 ASN 15 9.494 16.274 4.094
124 HD22 ASN 15 2HD2 ASN 15 10.424 16.992 5.361
125 H ILE 16 H ILE 16 4.827 17.007 4.616
126 HA ILE 16 HA ILE 16 5.913 19.566 5.297
127 HB ILE 16 HB ILE 16 3.481 18.800 3.683
128 HG12 ILE 16 2HG1 ILE 16 5.878 20.126 2.524
129 HG13 ILE 16 3HG1 ILE 16 6.045 18.440 2.998
130 HG21 ILE 16 1HG2 ILE 16 2.881 20.923 4.288
131 HG22 ILE 16 2HG2 ILE 16 4.549 21.455 4.494
132 HG23 ILE 16 3HG2 ILE 16 3.875 21.274 2.874
133 HD11 ILE 16 1HD1 ILE 16 5.116 17.838 1.090
134 HD12 ILE 16 2HD1 ILE 16 3.632 18.669 1.556
135 HD13 ILE 16 3HD1 ILE 16 4.878 19.529 0.652
136 H THR 17 H THR 17 2.734 18.040 5.817
137 HA THR 17 HA THR 17 1.822 20.153 7.524
138 HB THR 17 HB THR 17 0.475 17.523 7.691
139 HG1 THR 17 HG1 THR 17 -0.452 17.978 5.538
140 HG21 THR 17 1HG2 THR 17 -0.227 20.406 7.564
141 HG22 THR 17 2HG2 THR 17 -0.849 19.134 8.616
142 HG23 THR 17 3HG2 THR 17 -1.411 19.253 6.949
143 H GLU 18 H GLU 18 3.639 17.268 7.968
144 HA GLU 18 HA GLU 18 3.021 16.933 10.756
145 HB2 GLU 18 2HB GLU 18 3.671 14.996 9.459
146 HB3 GLU 18 3HB GLU 18 5.195 15.755 9.020
147 HG2 GLU 18 2HG GLU 18 6.165 14.918 10.817
148 HG3 GLU 18 3HG GLU 18 4.985 15.711 11.858
149 H ARG 19 H ARG 19 5.608 18.408 8.869
150 HA ARG 19 HA ARG 19 7.306 18.974 11.074
151 HB2 ARG 19 2HB ARG 19 7.943 18.903 8.608
152 HB3 ARG 19 3HB ARG 19 7.223 20.502 8.477
153 HG2 ARG 19 2HG ARG 19 8.949 20.656 10.661
154 HG3 ARG 19 3HG ARG 19 9.822 19.735 9.435
155 HD2 ARG 19 2HD ARG 19 9.333 21.509 7.795
156 HD3 ARG 19 3HD ARG 19 8.532 22.436 9.064
157 HE ARG 19 HE ARG 19 11.110 21.842 9.941
158 HH11 ARG 19 1HH1 ARG 19 10.817 24.875 7.345
159 HH12 ARG 19 2HH1 ARG 19 9.550 23.698 7.443
160 HH21 ARG 19 1HH2 ARG 19 12.657 24.696 8.697
161 HH22 ARG 19 2HH2 ARG 19 12.785 23.386 9.821
162 H VAL 20 H VAL 20 4.960 20.938 9.265
163 HA VAL 20 HA VAL 20 5.307 23.358 10.567
164 HB VAL 20 HB VAL 20 3.905 23.239 8.621
165 HG11 VAL 20 1HG1 VAL 20 3.041 20.934 9.137
166 HG12 VAL 20 2HG1 VAL 20 1.877 21.695 10.223
167 HG13 VAL 20 3HG1 VAL 20 1.846 22.062 8.498
168 HG21 VAL 20 1HG2 VAL 20 3.214 24.588 10.968
169 HG22 VAL 20 2HG2 VAL 20 2.715 24.983 9.323
170 HG23 VAL 20 3HG2 VAL 20 1.698 23.952 10.330
171 H SER 21 H SER 21 3.184 20.652 11.448
172 HA SER 21 HA SER 21 1.935 21.828 13.647
173 HB2 SER 21 2HB SER 21 2.072 19.235 12.470
174 HB3 SER 21 3HB SER 21 2.342 19.058 14.203
175 HG SER 21 HG SER 21 0.176 19.037 13.998
176 H MET 22 H MET 22 4.878 19.834 13.527
177 HA MET 22 HA MET 22 5.463 19.775 16.236
178 HB2 MET 22 2HB MET 22 6.949 19.383 13.739
179 HB3 MET 22 3HB MET 22 7.951 19.916 15.082
180 HG2 MET 22 2HG MET 22 6.481 17.966 16.262
181 HG3 MET 22 3HG MET 22 6.622 17.349 14.618
182 HE1 MET 22 1HE MET 22 10.112 18.190 17.501
183 HE2 MET 22 2HE MET 22 9.226 19.522 16.759
184 HE3 MET 22 3HE MET 22 8.399 18.414 17.856
185 H ALA 23 H ALA 23 6.283 22.230 13.822
186 HA ALA 23 HA ALA 23 7.874 23.837 15.514
187 HB1 ALA 23 1HB ALA 23 7.200 25.651 13.789
188 HB2 ALA 23 2HB ALA 23 8.176 24.279 13.263
189 HB3 ALA 23 3HB ALA 23 6.445 24.309 12.930
190 H THR 24 H THR 24 4.420 23.682 14.918
191 HA THR 24 HA THR 24 3.827 26.106 16.345
192 HB THR 24 HB THR 24 1.480 24.602 16.263
193 HG1 THR 24 HG1 THR 24 2.845 24.294 13.786
194 HG21 THR 24 1HG2 THR 24 1.463 26.095 13.940
195 HG22 THR 24 2HG2 THR 24 2.642 26.929 14.952
196 HG23 THR 24 3HG2 THR 24 1.001 26.668 15.542
197 H ALA 25 H ALA 25 3.998 22.692 17.095
198 HA ALA 25 HA ALA 25 2.849 23.090 19.741
199 HB1 ALA 25 1HB ALA 25 2.624 20.818 19.883
200 HB2 ALA 25 2HB ALA 25 2.568 21.026 18.132
201 HB3 ALA 25 3HB ALA 25 4.061 20.502 18.910
202 H SER 26 H SER 26 5.747 23.732 18.451
203 HA SER 26 HA SER 26 7.229 22.907 20.861
204 HB2 SER 26 2HB SER 26 8.063 21.937 18.717
205 HB3 SER 26 3HB SER 26 8.377 23.574 18.140
206 HG SER 26 HG SER 26 10.044 23.742 19.465
207 H SER 27 H SER 27 6.205 25.541 18.883
208 HA SER 27 HA SER 27 7.919 27.415 20.356
209 HB2 SER 27 2HB SER 27 7.323 27.287 17.670
210 HB3 SER 27 3HB SER 27 6.219 28.536 18.246
211 HG SER 27 HG SER 27 9.032 28.482 18.300
212 H GLN 28 H GLN 28 4.570 26.608 19.679
213 HA GLN 28 HA GLN 28 3.743 28.580 21.706
214 HB2 GLN 28 2HB GLN 28 2.293 27.601 19.249
215 HB3 GLN 28 3HB GLN 28 1.493 28.486 20.541
216 HG2 GLN 28 2HG GLN 28 2.505 30.458 20.012
217 HG3 GLN 28 3HG GLN 28 3.930 29.673 19.333
218 HE21 GLN 28 1HE2 GLN 28 1.251 31.412 18.596
219 HE22 GLN 28 2HE2 GLN 28 1.068 30.978 16.934
220 H VAL 29 H VAL 29 3.671 25.290 20.666
221 HA VAL 29 HA VAL 29 3.008 23.375 21.707
222 HB VAL 29 HB VAL 29 2.237 24.966 24.138
223 HG11 VAL 29 1HG1 VAL 29 3.700 22.414 24.316
224 HG12 VAL 29 2HG1 VAL 29 2.325 23.006 25.252
225 HG13 VAL 29 3HG1 VAL 29 2.071 22.321 23.646
226 HG21 VAL 29 1HG2 VAL 29 4.956 24.458 23.029
227 HG22 VAL 29 2HG2 VAL 29 4.330 25.874 23.874
228 HG23 VAL 29 3HG2 VAL 29 4.724 24.412 24.777
229 H LEU 30 H LEU 30 1.149 25.065 20.204
230 HA LEU 30 HA LEU 30 -1.069 25.258 19.719
231 HB2 LEU 30 2HB LEU 30 -0.770 22.562 20.941
232 HB3 LEU 30 3HB LEU 30 -2.398 23.158 20.621
233 HG LEU 30 HG LEU 30 -1.936 23.312 18.265
234 HD11 LEU 30 1HD1 LEU 30 0.241 22.549 17.358
235 HD12 LEU 30 2HD1 LEU 30 0.872 22.506 19.004
236 HD13 LEU 30 3HD1 LEU 30 0.354 24.037 18.299
237 HD21 LEU 30 1HD2 LEU 30 -0.732 20.681 18.664
238 HD22 LEU 30 2HD2 LEU 30 -2.265 21.127 17.916
239 HD23 LEU 30 3HD2 LEU 30 -2.150 20.974 19.670
240 H ILE 31 H ILE 31 -1.020 27.082 21.312
241 HA ILE 31 HA ILE 31 -2.724 26.503 23.644
242 HB ILE 31 HB ILE 31 -1.894 28.735 24.500
243 HG12 ILE 31 2HG1 ILE 31 0.589 28.599 23.003
244 HG13 ILE 31 3HG1 ILE 31 -0.784 28.893 21.941
245 HG21 ILE 31 1HG2 ILE 31 -0.985 26.981 25.655
246 HG22 ILE 31 2HG2 ILE 31 -0.249 26.273 24.218
247 HG23 ILE 31 3HG2 ILE 31 0.475 27.694 24.970
248 HD11 ILE 31 1HD1 ILE 31 -1.300 30.907 22.964
249 HD12 ILE 31 2HD1 ILE 31 -0.395 30.508 24.426
250 HD13 ILE 31 3HD1 ILE 31 0.464 30.900 22.936
251 HA PRO 32 HA PRO 32 -5.357 28.909 20.690
252 HB2 PRO 32 2HB PRO 32 -7.600 27.451 21.155
253 HB3 PRO 32 3HB PRO 32 -6.383 26.987 19.960
254 HG2 PRO 32 2HG PRO 32 -6.777 25.980 22.752
255 HG3 PRO 32 3HG PRO 32 -6.412 25.069 21.275
256 HD2 PRO 32 2HD PRO 32 -4.516 25.702 23.101
257 HD3 PRO 32 3HD PRO 32 -4.166 25.577 21.365
258 H GLU 33 H GLU 33 -5.206 30.691 22.139
259 HA GLU 33 HA GLU 33 -6.816 30.690 24.547
260 HB2 GLU 33 2HB GLU 33 -4.524 31.924 24.024
261 HB3 GLU 33 3HB GLU 33 -5.607 33.187 23.454
262 HG2 GLU 33 2HG GLU 33 -6.164 32.024 26.118
263 HG3 GLU 33 3HG GLU 33 -4.744 33.056 25.960
264 H ILE 34 H ILE 34 -6.663 32.972 21.810
265 HA ILE 34 HA ILE 34 -9.531 32.846 21.458
266 HB ILE 34 HB ILE 34 -9.674 35.404 21.653
267 HG12 ILE 34 2HG1 ILE 34 -7.233 34.886 23.366
268 HG13 ILE 34 3HG1 ILE 34 -7.265 35.820 21.874
269 HG21 ILE 34 1HG2 ILE 34 -9.310 33.920 24.245
270 HG22 ILE 34 2HG2 ILE 34 -10.404 35.260 23.901
271 HG23 ILE 34 3HG2 ILE 34 -10.696 33.677 23.181
272 HD11 ILE 34 1HD1 ILE 34 -9.145 37.118 23.301
273 HD12 ILE 34 2HD1 ILE 34 -8.078 36.566 24.592
274 HD13 ILE 34 3HD1 ILE 34 -7.437 37.555 23.280
275 H ASN 35 H ASN 35 -6.497 34.481 20.652
276 HA ASN 35 HA ASN 35 -7.459 34.740 17.879
277 HB2 ASN 35 2HB ASN 35 -6.825 36.840 19.329
278 HB3 ASN 35 3HB ASN 35 -5.176 36.369 18.928
279 HD21 ASN 35 1HD2 ASN 35 -8.276 36.535 17.201
280 HD22 ASN 35 2HD2 ASN 35 -7.664 37.414 15.845
281 H LEU 36 H LEU 36 -6.355 32.341 18.834
282 HA LEU 36 HA LEU 36 -3.742 32.304 17.472
283 HB2 LEU 36 2HB LEU 36 -3.546 31.781 19.837
284 HB3 LEU 36 3HB LEU 36 -4.764 30.517 19.676
285 HG LEU 36 HG LEU 36 -2.480 30.143 17.898
286 HD11 LEU 36 1HD1 LEU 36 -0.992 30.912 19.445
287 HD12 LEU 36 2HD1 LEU 36 -1.186 29.256 20.018
288 HD13 LEU 36 3HD1 LEU 36 -2.058 30.569 20.808
289 HD21 LEU 36 1HD2 LEU 36 -3.132 28.171 19.970
290 HD22 LEU 36 2HD2 LEU 36 -2.982 27.979 18.223
291 HD23 LEU 36 3HD2 LEU 36 -4.476 28.612 18.917
292 H ASN 37 H ASN 37 -6.807 30.635 17.955
293 HA ASN 37 HA ASN 37 -6.370 28.396 16.359
294 HB2 ASN 37 2HB ASN 37 -8.338 28.688 17.822
295 HB3 ASN 37 3HB ASN 37 -8.960 29.918 16.726
296 HD21 ASN 37 1HD2 ASN 37 -10.720 28.144 17.031
297 HD22 ASN 37 2HD2 ASN 37 -10.769 26.957 15.776
298 H ASP 38 H ASP 38 -7.746 31.551 15.456
299 HA ASP 38 HA ASP 38 -8.179 31.005 12.752
300 HB2 ASP 38 2HB ASP 38 -8.656 33.137 14.357
301 HB3 ASP 38 3HB ASP 38 -7.301 33.750 13.413
302 H THR 39 H THR 39 -5.266 31.818 14.478
303 HA THR 39 HA THR 39 -3.732 32.459 12.135
304 HB THR 39 HB THR 39 -2.076 31.658 14.350
305 HG1 THR 39 HG1 THR 39 -2.931 33.326 15.800
306 HG21 THR 39 1HG2 THR 39 -1.761 33.387 12.441
307 HG22 THR 39 2HG2 THR 39 -1.105 33.750 14.038
308 HG23 THR 39 3HG2 THR 39 -2.622 34.485 13.519
309 H PHE 40 H PHE 40 -3.734 29.719 14.419
310 HA PHE 40 HA PHE 40 -1.863 28.148 13.065
311 HB2 PHE 40 2HB PHE 40 -2.712 27.765 15.397
312 HB3 PHE 40 3HB PHE 40 -4.192 27.121 14.694
313 HD1 PHE 40 HD1 PHE 40 -0.681 26.629 13.592
314 HD2 PHE 40 HD2 PHE 40 -4.171 24.876 15.284
315 HE1 PHE 40 HE1 PHE 40 0.365 24.407 13.439
316 HE2 PHE 40 HE2 PHE 40 -3.131 22.652 15.134
317 HZ PHE 40 HZ PHE 40 -0.860 22.415 14.211
318 H ASP 41 H ASP 41 -5.384 28.305 12.760
319 HA ASP 41 HA ASP 41 -5.752 26.168 11.006
320 HB2 ASP 41 2HB ASP 41 -7.438 27.848 12.217
321 HB3 ASP 41 3HB ASP 41 -7.418 28.605 10.626
322 H THR 42 H THR 42 -5.574 29.628 10.146
323 HA THR 42 HA THR 42 -5.449 29.273 7.385
324 HB THR 42 HB THR 42 -5.628 31.454 8.919
325 HG1 THR 42 HG1 THR 42 -5.845 32.371 7.010
326 HG21 THR 42 1HG2 THR 42 -3.687 32.749 9.027
327 HG22 THR 42 2HG2 THR 42 -2.846 31.760 7.834
328 HG23 THR 42 3HG2 THR 42 -3.124 31.136 9.459
329 H PHE 43 H PHE 43 -3.027 28.835 9.805
330 HA PHE 43 HA PHE 43 -0.766 29.063 8.063
331 HB2 PHE 43 2HB PHE 43 -0.682 29.392 10.551
332 HB3 PHE 43 3HB PHE 43 -0.916 27.656 10.735
333 HD1 PHE 43 HD1 PHE 43 1.101 27.035 11.749
334 HD2 PHE 43 HD2 PHE 43 1.153 29.354 8.180
335 HE1 PHE 43 HE1 PHE 43 3.530 26.690 11.563
336 HE2 PHE 43 HE2 PHE 43 3.582 29.012 7.988
337 HZ PHE 43 HZ PHE 43 4.774 27.677 9.681
338 H ALA 44 H ALA 44 -2.489 26.321 9.535
339 HA ALA 44 HA ALA 44 -0.949 24.327 8.229
340 HB1 ALA 44 1HB ALA 44 -2.693 22.776 8.981
341 HB2 ALA 44 2HB ALA 44 -2.170 23.853 10.277
342 HB3 ALA 44 3HB ALA 44 -3.701 24.145 9.451
343 H LEU 45 H LEU 45 -4.156 25.711 7.563
344 HA LEU 45 HA LEU 45 -4.957 24.186 5.438
345 HB2 LEU 45 2HB LEU 45 -5.992 26.305 6.613
346 HB3 LEU 45 3HB LEU 45 -5.284 27.139 5.231
347 HG LEU 45 HG LEU 45 -7.535 26.735 4.668
348 HD11 LEU 45 1HD1 LEU 45 -7.378 25.405 2.713
349 HD12 LEU 45 2HD1 LEU 45 -6.049 24.458 3.380
350 HD13 LEU 45 3HD1 LEU 45 -5.796 26.149 2.948
351 HD21 LEU 45 1HD2 LEU 45 -7.089 24.201 6.093
352 HD22 LEU 45 2HD2 LEU 45 -8.125 24.096 4.669
353 HD23 LEU 45 3HD2 LEU 45 -8.535 25.204 5.980
354 H ASP 46 H ASP 46 -3.173 27.261 5.110
355 HA ASP 46 HA ASP 46 -2.696 27.221 2.414
356 HB2 ASP 46 2HB ASP 46 -1.849 28.773 4.520
357 HB3 ASP 46 3HB ASP 46 -0.342 28.061 3.950
358 H PHE 47 H PHE 47 -0.739 25.672 4.940
359 HA PHE 47 HA PHE 47 1.298 24.675 3.334
360 HB2 PHE 47 2HB PHE 47 0.288 24.197 6.016
361 HB3 PHE 47 3HB PHE 47 0.897 22.718 5.279
362 HD1 PHE 47 HD1 PHE 47 3.182 23.367 3.807
363 HD2 PHE 47 HD2 PHE 47 1.815 25.157 7.419
364 HE1 PHE 47 HE1 PHE 47 5.485 24.052 4.335
365 HE2 PHE 47 HE2 PHE 47 4.116 25.845 7.952
366 HZ PHE 47 HZ PHE 47 5.955 25.293 6.410
367 H SER 48 H SER 48 -1.701 23.041 4.347
368 HA SER 48 HA SER 48 -1.356 20.642 3.027
369 HB2 SER 48 2HB SER 48 -3.255 21.399 4.609
370 HB3 SER 48 3HB SER 48 -4.047 21.988 3.148
371 HG SER 48 HG SER 48 -3.154 19.325 3.572
372 H ARG 49 H ARG 49 -2.783 23.644 1.781
373 HA ARG 49 HA ARG 49 -3.664 22.857 -0.681
374 HB2 ARG 49 2HB ARG 49 -3.168 25.287 0.567
375 HB3 ARG 49 3HB ARG 49 -2.162 25.344 -0.874
376 HG2 ARG 49 2HG ARG 49 -4.848 24.366 -1.409
377 HG3 ARG 49 3HG ARG 49 -4.824 25.995 -0.730
378 HD2 ARG 49 2HD ARG 49 -2.850 26.216 -2.543
379 HD3 ARG 49 3HD ARG 49 -3.853 25.003 -3.336
380 HE ARG 49 HE ARG 49 -5.391 26.631 -3.779
381 HH11 ARG 49 1HH1 ARG 49 -3.926 29.349 -1.231
382 HH12 ARG 49 2HH1 ARG 49 -3.269 27.745 -1.255
383 HH21 ARG 49 1HH2 ARG 49 -5.630 29.912 -2.655
384 HH22 ARG 49 2HH2 ARG 49 -6.264 28.738 -3.758
385 H GLU 50 H GLU 50 -0.331 23.580 0.259
386 HA GLU 50 HA GLU 50 0.683 23.091 -2.397
387 HB2 GLU 50 2HB GLU 50 1.720 24.727 -0.820
388 HB3 GLU 50 3HB GLU 50 2.214 23.378 0.192
389 HG2 GLU 50 2HG GLU 50 3.128 22.759 -2.373
390 HG3 GLU 50 3HG GLU 50 3.477 24.471 -2.141
391 H LYS 51 H LYS 51 0.287 21.313 0.577
392 HA LYS 51 HA LYS 51 2.057 19.194 0.101
393 HB2 LYS 51 2HB LYS 51 1.143 18.229 1.952
394 HB3 LYS 51 3HB LYS 51 0.498 19.850 2.169
395 HG2 LYS 51 2HG LYS 51 -1.419 18.689 2.453
396 HG3 LYS 51 3HG LYS 51 -1.471 18.833 0.695
397 HD2 LYS 51 2HD LYS 51 -0.251 16.612 0.617
398 HD3 LYS 51 3HD LYS 51 -0.594 16.472 2.343
399 HE2 LYS 51 2HE LYS 51 -2.701 15.858 1.958
400 HE3 LYS 51 3HE LYS 51 -2.958 17.196 0.839
401 HZ1 LYS 51 1HZ LYS 51 -1.520 15.660 -0.711
402 HZ2 LYS 51 2HZ LYS 51 -3.192 15.450 -0.573
403 HZ3 LYS 51 3HZ LYS 51 -2.140 14.443 0.287
404 H LYS 52 H LYS 52 -1.110 19.886 -1.168
405 HA LYS 52 HA LYS 52 -1.483 17.234 -2.258
406 HB2 LYS 52 2HB LYS 52 -3.048 19.762 -2.807
407 HB3 LYS 52 3HB LYS 52 -3.542 18.121 -3.201
408 HG2 LYS 52 2HG LYS 52 -3.785 17.562 -0.895
409 HG3 LYS 52 3HG LYS 52 -3.055 19.089 -0.394
410 HD2 LYS 52 2HD LYS 52 -5.339 19.460 -2.159
411 HD3 LYS 52 3HD LYS 52 -5.755 18.589 -0.682
412 HE2 LYS 52 2HE LYS 52 -5.467 20.403 0.608
413 HE3 LYS 52 3HE LYS 52 -4.015 20.904 -0.257
414 HZ1 LYS 52 1HZ LYS 52 -5.706 22.541 -0.572
415 HZ2 LYS 52 2HZ LYS 52 -6.826 21.381 -1.080
416 HZ3 LYS 52 3HZ LYS 52 -5.483 21.737 -2.044
417 H LEU 53 H LEU 53 -1.105 20.495 -3.657
418 HA LEU 53 HA LEU 53 -0.904 19.793 -6.316
419 HB2 LEU 53 2HB LEU 53 -0.839 22.109 -5.059
420 HB3 LEU 53 3HB LEU 53 0.901 21.914 -5.263
421 HG LEU 53 HG LEU 53 -0.815 21.603 -7.669
422 HD11 LEU 53 1HD1 LEU 53 -1.822 23.553 -6.748
423 HD12 LEU 53 2HD1 LEU 53 -0.708 24.080 -8.009
424 HD13 LEU 53 3HD1 LEU 53 -0.254 24.231 -6.311
425 HD21 LEU 53 1HD2 LEU 53 1.242 21.527 -8.514
426 HD22 LEU 53 2HD2 LEU 53 1.961 22.063 -6.995
427 HD23 LEU 53 3HD2 LEU 53 1.367 23.250 -8.158
428 H LEU 54 H LEU 54 1.422 19.394 -3.773
429 HA LEU 54 HA LEU 54 3.694 19.006 -5.462
430 HB2 LEU 54 2HB LEU 54 3.988 19.704 -3.173
431 HB3 LEU 54 3HB LEU 54 3.175 18.253 -2.591
432 HG LEU 54 HG LEU 54 5.756 18.414 -2.456
433 HD11 LEU 54 1HD1 LEU 54 5.890 16.100 -2.422
434 HD12 LEU 54 2HD1 LEU 54 4.742 15.913 -3.748
435 HD13 LEU 54 3HD1 LEU 54 4.172 16.399 -2.152
436 HD21 LEU 54 1HD2 LEU 54 7.005 17.895 -4.347
437 HD22 LEU 54 2HD2 LEU 54 5.819 19.052 -4.951
438 HD23 LEU 54 3HD2 LEU 54 5.596 17.327 -5.243
439 H GLU 55 H GLU 55 1.822 16.722 -3.454
440 HA GLU 55 HA GLU 55 2.980 14.392 -4.475
441 HB2 GLU 55 2HB GLU 55 1.405 14.760 -2.430
442 HB3 GLU 55 3HB GLU 55 0.115 14.467 -3.588
443 HG2 GLU 55 2HG GLU 55 1.628 12.354 -4.142
444 HG3 GLU 55 3HG GLU 55 2.122 12.606 -2.469
445 H CYS 56 H CYS 56 -0.092 15.955 -5.379
446 HA CYS 56 HA CYS 56 0.146 14.691 -8.021
447 HB2 CYS 56 2HB CYS 56 -2.359 14.426 -8.009
448 HB3 CYS 56 3HB CYS 56 -1.498 13.370 -6.896
449 HG CYS 56 HG CYS 56 -4.029 14.526 -5.940
450 H LEU 57 H LEU 57 -1.614 15.735 -9.528
451 HA LEU 57 HA LEU 57 -1.054 18.568 -9.518
452 HB2 LEU 57 2HB LEU 57 -1.966 16.569 -11.442
453 HB3 LEU 57 3HB LEU 57 -2.776 18.125 -11.610
454 HG LEU 57 HG LEU 57 -0.147 18.865 -11.455
455 HD11 LEU 57 1HD1 LEU 57 0.715 16.640 -11.537
456 HD12 LEU 57 2HD1 LEU 57 1.001 17.391 -13.107
457 HD13 LEU 57 3HD1 LEU 57 -0.315 16.234 -12.911
458 HD21 LEU 57 1HD2 LEU 57 -1.853 18.240 -13.858
459 HD22 LEU 57 2HD2 LEU 57 -0.334 19.133 -13.929
460 HD23 LEU 57 3HD2 LEU 57 -1.700 19.785 -13.022
461 H ASP 58 H ASP 58 -2.423 20.186 -9.036
462 HA ASP 58 HA ASP 58 -5.230 20.039 -9.124
463 HB2 ASP 58 2HB ASP 58 -4.095 18.864 -6.798
464 HB3 ASP 58 3HB ASP 58 -4.851 20.379 -6.311
465 H TYR 59 H TYR 59 -6.259 21.967 -8.075
466 HA TYR 59 HA TYR 59 -4.484 24.151 -7.394
467 HB2 TYR 59 2HB TYR 59 -5.869 23.946 -10.018
468 HB3 TYR 59 3HB TYR 59 -5.855 25.522 -9.234
469 HD1 TYR 59 HD1 TYR 59 -4.125 23.422 -11.436
470 HD2 TYR 59 HD2 TYR 59 -3.466 26.266 -8.341
471 HE1 TYR 59 HE1 TYR 59 -1.855 23.820 -12.294
472 HE2 TYR 59 HE2 TYR 59 -1.194 26.673 -9.191
473 HH TYR 59 HH TYR 59 -0.018 26.425 -11.494
474 H LEU 60 H LEU 60 -7.787 24.027 -8.707
475 HA LEU 60 HA LEU 60 -8.730 25.434 -6.323
476 HB2 LEU 60 2HB LEU 60 -10.729 25.908 -7.592
477 HB3 LEU 60 3HB LEU 60 -9.297 26.359 -8.515
478 HG LEU 60 HG LEU 60 -9.865 23.776 -9.360
479 HD11 LEU 60 1HD1 LEU 60 -12.370 25.296 -8.760
480 HD12 LEU 60 2HD1 LEU 60 -12.006 23.591 -8.497
481 HD13 LEU 60 3HD1 LEU 60 -12.295 24.189 -10.131
482 HD21 LEU 60 1HD2 LEU 60 -9.135 25.214 -10.983
483 HD22 LEU 60 2HD2 LEU 60 -10.186 26.527 -10.451
484 HD23 LEU 60 3HD2 LEU 60 -10.858 25.172 -11.359
Start of MODEL 12
1 H LEU 1 H LEU 1 9.046 -0.988 3.826
2 HA LEU 1 HA LEU 1 8.447 0.735 2.468
3 HB2 LEU 1 2HB LEU 1 10.696 1.727 4.005
4 HB3 LEU 1 3HB LEU 1 10.598 2.487 2.418
5 HG LEU 1 HG LEU 1 9.462 3.823 4.104
6 HD11 LEU 1 1HD1 LEU 1 7.428 2.537 2.295
7 HD12 LEU 1 2HD1 LEU 1 8.625 3.713 1.753
8 HD13 LEU 1 3HD1 LEU 1 7.411 4.177 2.945
9 HD21 LEU 1 1HD2 LEU 1 8.017 3.028 5.626
10 HD22 LEU 1 2HD2 LEU 1 8.752 1.468 5.253
11 HD23 LEU 1 3HD2 LEU 1 7.241 1.941 4.474
12 H LYS 2 H LYS 2 8.385 0.665 0.326
13 HA LYS 2 HA LYS 2 10.897 0.342 -1.165
14 HB2 LYS 2 2HB LYS 2 8.355 -1.246 -1.526
15 HB3 LYS 2 3HB LYS 2 9.626 -1.178 -2.740
16 HG2 LYS 2 2HG LYS 2 10.925 -2.618 -1.632
17 HG3 LYS 2 3HG LYS 2 10.583 -1.874 -0.068
18 HD2 LYS 2 2HD LYS 2 9.098 -3.458 0.427
19 HD3 LYS 2 3HD LYS 2 8.239 -3.198 -1.093
20 HE2 LYS 2 2HE LYS 2 9.540 -4.778 -2.228
21 HE3 LYS 2 3HE LYS 2 10.796 -4.765 -0.991
22 HZ1 LYS 2 1HZ LYS 2 9.782 -6.411 0.059
23 HZ2 LYS 2 2HZ LYS 2 8.662 -6.515 -1.204
24 HZ3 LYS 2 3HZ LYS 2 8.329 -5.547 0.143
25 H GLU 3 H GLU 3 10.163 0.470 -3.684
26 HA GLU 3 HA GLU 3 9.499 1.850 -5.366
27 HB2 GLU 3 2HB GLU 3 7.232 1.212 -4.439
28 HB3 GLU 3 3HB GLU 3 7.260 2.723 -3.540
29 HG2 GLU 3 2HG GLU 3 6.269 3.626 -5.307
30 HG3 GLU 3 3HG GLU 3 7.838 3.522 -6.103
31 H ASN 4 H ASN 4 11.034 3.368 -5.590
32 HA ASN 4 HA ASN 4 11.276 5.533 -3.675
33 HB2 ASN 4 2HB ASN 4 12.840 4.929 -6.195
34 HB3 ASN 4 3HB ASN 4 13.224 6.210 -5.050
35 HD21 ASN 4 1HD2 ASN 4 14.814 5.712 -3.746
36 HD22 ASN 4 2HD2 ASN 4 15.182 4.139 -3.133
37 H ASP 5 H ASP 5 8.850 5.816 -4.667
38 HA ASP 5 HA ASP 5 9.063 8.248 -6.255
39 HB2 ASP 5 2HB ASP 5 7.222 5.987 -7.062
40 HB3 ASP 5 3HB ASP 5 7.348 7.559 -7.846
41 H HIS 6 H HIS 6 6.503 6.034 -5.120
42 HA HIS 6 HA HIS 6 4.876 8.243 -4.252
43 HB2 HIS 6 2HB HIS 6 4.122 5.926 -5.180
44 HB3 HIS 6 3HB HIS 6 4.340 5.382 -3.519
45 HD1 HIS 6 HD1 HIS 6 2.217 7.660 -5.618
46 HD2 HIS 6 HD2 HIS 6 2.375 6.191 -1.735
47 HE1 HIS 6 HE1 HIS 6 0.024 8.302 -4.567
48 H ALA 7 H ALA 7 7.155 6.063 -2.811
49 HA ALA 7 HA ALA 7 6.345 6.364 -0.109
50 HB1 ALA 7 1HB ALA 7 8.641 5.519 0.405
51 HB2 ALA 7 2HB ALA 7 7.713 4.499 -0.697
52 HB3 ALA 7 3HB ALA 7 8.979 5.554 -1.326
53 H ARG 8 H ARG 8 8.430 8.208 -2.236
54 HA ARG 8 HA ARG 8 9.458 9.860 -0.098
55 HB2 ARG 8 2HB ARG 8 10.560 11.116 -1.923
56 HB3 ARG 8 3HB ARG 8 10.903 9.393 -1.984
57 HG2 ARG 8 2HG ARG 8 9.332 9.093 -3.782
58 HG3 ARG 8 3HG ARG 8 8.830 10.781 -3.667
59 HD2 ARG 8 2HD ARG 8 11.717 10.332 -4.034
60 HD3 ARG 8 3HD ARG 8 10.698 9.861 -5.393
61 HE ARG 8 HE ARG 8 9.900 12.403 -4.595
62 HH11 ARG 8 1HH1 ARG 8 13.256 12.268 -6.772
63 HH12 ARG 8 2HH1 ARG 8 12.715 10.853 -5.933
64 HH21 ARG 8 1HH2 ARG 8 12.054 14.214 -6.636
65 HH22 ARG 8 2HH2 ARG 8 10.602 14.273 -5.695
66 H PHE 9 H PHE 9 6.945 10.006 -2.526
67 HA PHE 9 HA PHE 9 6.403 12.789 -2.259
68 HB2 PHE 9 2HB PHE 9 5.233 10.496 -3.672
69 HB3 PHE 9 3HB PHE 9 4.054 11.703 -3.170
70 HD1 PHE 9 HD1 PHE 9 7.533 12.491 -4.062
71 HD2 PHE 9 HD2 PHE 9 3.477 12.455 -5.351
72 HE1 PHE 9 HE1 PHE 9 8.140 13.882 -5.998
73 HE2 PHE 9 HE2 PHE 9 4.078 13.846 -7.290
74 HZ PHE 9 HZ PHE 9 6.412 14.560 -7.616
75 H LEU 10 H LEU 10 4.897 9.866 -0.919
76 HA LEU 10 HA LEU 10 2.901 11.226 0.554
77 HB2 LEU 10 2HB LEU 10 3.390 8.634 -0.068
78 HB3 LEU 10 3HB LEU 10 3.869 8.664 1.628
79 HG LEU 10 HG LEU 10 1.277 9.916 1.145
80 HD11 LEU 10 1HD1 LEU 10 1.849 7.258 0.018
81 HD12 LEU 10 2HD1 LEU 10 0.579 8.415 -0.380
82 HD13 LEU 10 3HD1 LEU 10 0.408 7.368 1.029
83 HD21 LEU 10 1HD2 LEU 10 0.675 8.332 2.996
84 HD22 LEU 10 2HD2 LEU 10 1.986 9.452 3.367
85 HD23 LEU 10 3HD2 LEU 10 2.347 7.772 2.968
86 H GLN 11 H GLN 11 6.014 9.810 1.548
87 HA GLN 11 HA GLN 11 5.892 10.570 4.238
88 HB2 GLN 11 2HB GLN 11 8.186 9.982 2.383
89 HB3 GLN 11 3HB GLN 11 8.460 10.449 4.056
90 HG2 GLN 11 2HG GLN 11 7.127 8.538 4.802
91 HG3 GLN 11 3HG GLN 11 6.879 8.064 3.122
92 HE21 GLN 11 1HE2 GLN 11 8.642 7.444 5.798
93 HE22 GLN 11 2HE2 GLN 11 10.053 6.756 5.076
94 H THR 12 H THR 12 6.753 12.360 1.378
95 HA THR 12 HA THR 12 7.987 14.541 2.782
96 HB THR 12 HB THR 12 7.117 14.139 -0.069
97 HG1 THR 12 HG1 THR 12 9.625 14.604 1.208
98 HG21 THR 12 1HG2 THR 12 8.161 16.381 -0.522
99 HG22 THR 12 2HG2 THR 12 8.113 16.679 1.216
100 HG23 THR 12 3HG2 THR 12 6.613 16.441 0.319
101 H ALA 13 H ALA 13 4.944 14.239 0.938
102 HA ALA 13 HA ALA 13 3.855 16.706 1.504
103 HB1 ALA 13 1HB ALA 13 1.676 14.982 1.538
104 HB2 ALA 13 2HB ALA 13 2.364 15.792 0.130
105 HB3 ALA 13 3HB ALA 13 2.881 14.159 0.548
106 H LYS 14 H LYS 14 3.641 13.732 3.424
107 HA LYS 14 HA LYS 14 1.984 14.850 5.447
108 HB2 LYS 14 2HB LYS 14 2.542 12.343 4.827
109 HB3 LYS 14 3HB LYS 14 3.820 12.561 6.015
110 HG2 LYS 14 2HG LYS 14 2.346 12.786 7.764
111 HG3 LYS 14 3HG LYS 14 1.025 13.320 6.722
112 HD2 LYS 14 2HD LYS 14 1.255 10.904 5.723
113 HD3 LYS 14 3HD LYS 14 2.013 10.559 7.279
114 HE2 LYS 14 2HE LYS 14 0.075 10.829 8.435
115 HE3 LYS 14 3HE LYS 14 -0.540 12.058 7.331
116 HZ1 LYS 14 1HZ LYS 14 -0.654 9.125 7.082
117 HZ2 LYS 14 2HZ LYS 14 -0.731 10.095 5.698
118 HZ3 LYS 14 3HZ LYS 14 -1.898 10.259 6.912
119 H ASN 15 H ASN 15 5.478 14.252 5.221
120 HA ASN 15 HA ASN 15 6.225 15.084 7.759
121 HB2 ASN 15 2HB ASN 15 7.871 14.036 6.409
122 HB3 ASN 15 3HB ASN 15 7.665 15.211 5.113
123 HD21 ASN 15 1HD2 ASN 15 9.058 14.587 8.227
124 HD22 ASN 15 2HD2 ASN 15 10.108 15.959 8.259
125 H ILE 16 H ILE 16 5.200 16.947 5.025
126 HA ILE 16 HA ILE 16 6.272 19.450 5.864
127 HB ILE 16 HB ILE 16 3.995 18.826 3.981
128 HG12 ILE 16 2HG1 ILE 16 6.629 19.906 3.101
129 HG13 ILE 16 3HG1 ILE 16 6.560 18.213 3.577
130 HG21 ILE 16 1HG2 ILE 16 4.390 21.170 3.171
131 HG22 ILE 16 2HG2 ILE 16 3.654 21.042 4.768
132 HG23 ILE 16 3HG2 ILE 16 5.368 21.428 4.616
133 HD11 ILE 16 1HD1 ILE 16 5.876 19.347 1.106
134 HD12 ILE 16 2HD1 ILE 16 5.708 17.667 1.615
135 HD13 ILE 16 3HD1 ILE 16 4.371 18.796 1.841
136 H THR 17 H THR 17 2.979 18.087 5.979
137 HA THR 17 HA THR 17 1.951 20.243 7.548
138 HB THR 17 HB THR 17 0.495 17.676 7.627
139 HG1 THR 17 HG1 THR 17 1.030 19.037 5.180
140 HG21 THR 17 1HG2 THR 17 -0.445 19.854 8.357
141 HG22 THR 17 2HG2 THR 17 -1.385 19.093 7.073
142 HG23 THR 17 3HG2 THR 17 -0.305 20.436 6.698
143 H GLU 18 H GLU 18 3.589 17.296 8.251
144 HA GLU 18 HA GLU 18 2.666 17.128 10.983
145 HB2 GLU 18 2HB GLU 18 3.442 15.192 9.428
146 HB3 GLU 18 3HB GLU 18 5.062 15.675 9.910
147 HG2 GLU 18 2HG GLU 18 4.584 14.017 11.424
148 HG3 GLU 18 3HG GLU 18 4.140 15.469 12.320
149 H ARG 19 H ARG 19 5.436 18.383 9.249
150 HA ARG 19 HA ARG 19 7.020 18.846 11.593
151 HB2 ARG 19 2HB ARG 19 8.200 18.540 9.546
152 HB3 ARG 19 3HB ARG 19 7.247 19.774 8.734
153 HG2 ARG 19 2HG ARG 19 8.262 21.478 10.203
154 HG3 ARG 19 3HG ARG 19 9.272 20.219 10.915
155 HD2 ARG 19 2HD ARG 19 9.462 20.094 8.064
156 HD3 ARG 19 3HD ARG 19 9.766 21.747 8.597
157 HE ARG 19 HE ARG 19 11.470 19.488 8.959
158 HH11 ARG 19 1HH1 ARG 19 11.974 22.750 11.224
159 HH12 ARG 19 2HH1 ARG 19 10.487 22.516 10.366
160 HH21 ARG 19 1HH2 ARG 19 13.649 21.196 11.061
161 HH22 ARG 19 2HH2 ARG 19 13.433 19.784 10.083
162 H VAL 20 H VAL 20 4.746 20.700 9.675
163 HA VAL 20 HA VAL 20 5.337 23.228 10.853
164 HB VAL 20 HB VAL 20 4.246 23.074 8.669
165 HG11 VAL 20 1HG1 VAL 20 2.894 21.067 9.138
166 HG12 VAL 20 2HG1 VAL 20 1.843 22.038 10.169
167 HG13 VAL 20 3HG1 VAL 20 1.940 22.375 8.440
168 HG21 VAL 20 1HG2 VAL 20 3.895 25.145 9.682
169 HG22 VAL 20 2HG2 VAL 20 2.274 24.633 9.213
170 HG23 VAL 20 3HG2 VAL 20 2.797 24.475 10.889
171 H SER 21 H SER 21 3.058 20.641 11.556
172 HA SER 21 HA SER 21 1.505 22.050 13.453
173 HB2 SER 21 2HB SER 21 1.965 19.114 12.943
174 HB3 SER 21 3HB SER 21 0.919 19.680 14.246
175 HG SER 21 HG SER 21 -0.561 19.897 12.787
176 H MET 22 H MET 22 4.004 19.554 13.971
177 HA MET 22 HA MET 22 4.182 19.865 16.743
178 HB2 MET 22 2HB MET 22 5.112 17.953 15.449
179 HB3 MET 22 3HB MET 22 6.389 19.010 14.863
180 HG2 MET 22 2HG MET 22 7.138 19.355 17.176
181 HG3 MET 22 3HG MET 22 5.888 18.243 17.728
182 HE1 MET 22 1HE MET 22 9.224 18.884 16.388
183 HE2 MET 22 2HE MET 22 9.956 17.323 16.019
184 HE3 MET 22 3HE MET 22 8.881 18.091 14.850
185 H ALA 23 H ALA 23 5.571 21.706 14.141
186 HA ALA 23 HA ALA 23 7.601 23.008 15.641
187 HB1 ALA 23 1HB ALA 23 6.228 23.715 13.057
188 HB2 ALA 23 2HB ALA 23 7.546 24.664 13.746
189 HB3 ALA 23 3HB ALA 23 7.819 22.985 13.278
190 H THR 24 H THR 24 4.327 24.000 14.660
191 HA THR 24 HA THR 24 4.454 26.459 16.130
192 HB THR 24 HB THR 24 1.831 25.295 15.318
193 HG1 THR 24 HG1 THR 24 2.655 24.913 13.393
194 HG21 THR 24 1HG2 THR 24 1.516 27.663 14.540
195 HG22 THR 24 2HG2 THR 24 3.103 28.029 15.215
196 HG23 THR 24 3HG2 THR 24 1.799 27.488 16.271
197 H ALA 25 H ALA 25 3.543 23.206 16.831
198 HA ALA 25 HA ALA 25 1.946 23.874 19.144
199 HB1 ALA 25 1HB ALA 25 1.548 21.587 19.379
200 HB2 ALA 25 2HB ALA 25 1.674 21.819 17.635
201 HB3 ALA 25 3HB ALA 25 3.033 21.147 18.535
202 H SER 26 H SER 26 5.244 23.610 18.470
203 HA SER 26 HA SER 26 5.857 23.262 21.333
204 HB2 SER 26 2HB SER 26 6.696 21.571 19.417
205 HB3 SER 26 3HB SER 26 7.994 22.762 19.330
206 HG SER 26 HG SER 26 8.763 21.931 21.086
207 H SER 27 H SER 27 5.604 25.515 19.012
208 HA SER 27 HA SER 27 7.990 27.024 19.813
209 HB2 SER 27 2HB SER 27 6.103 27.228 17.480
210 HB3 SER 27 3HB SER 27 7.134 28.588 17.924
211 HG SER 27 HG SER 27 7.823 26.640 16.407
212 H GLN 28 H GLN 28 4.480 27.122 19.824
213 HA GLN 28 HA GLN 28 4.607 29.552 21.486
214 HB2 GLN 28 2HB GLN 28 2.742 28.713 19.331
215 HB3 GLN 28 3HB GLN 28 2.048 29.571 20.699
216 HG2 GLN 28 2HG GLN 28 4.395 30.945 19.878
217 HG3 GLN 28 3HG GLN 28 3.401 30.629 18.457
218 HE21 GLN 28 1HE2 GLN 28 4.047 33.095 20.055
219 HE22 GLN 28 2HE2 GLN 28 2.508 33.802 20.394
220 H VAL 29 H VAL 29 1.976 27.249 20.910
221 HA VAL 29 HA VAL 29 2.176 25.800 23.289
222 HB VAL 29 HB VAL 29 1.776 27.858 24.480
223 HG11 VAL 29 1HG1 VAL 29 0.734 29.134 22.683
224 HG12 VAL 29 2HG1 VAL 29 -0.716 28.135 22.801
225 HG13 VAL 29 3HG1 VAL 29 -0.255 29.183 24.143
226 HG21 VAL 29 1HG2 VAL 29 -0.055 27.196 25.825
227 HG22 VAL 29 2HG2 VAL 29 -0.829 26.350 24.485
228 HG23 VAL 29 3HG2 VAL 29 0.652 25.708 25.196
229 H LEU 30 H LEU 30 0.096 27.231 20.857
230 HA LEU 30 HA LEU 30 -1.584 26.365 19.590
231 HB2 LEU 30 2HB LEU 30 0.098 24.375 19.684
232 HB3 LEU 30 3HB LEU 30 -1.109 23.650 20.744
233 HG LEU 30 HG LEU 30 -2.576 24.465 18.544
234 HD11 LEU 30 1HD1 LEU 30 0.202 23.851 17.763
235 HD12 LEU 30 2HD1 LEU 30 -1.021 24.824 16.948
236 HD13 LEU 30 3HD1 LEU 30 -1.068 23.065 16.825
237 HD21 LEU 30 1HD2 LEU 30 -2.027 21.821 18.066
238 HD22 LEU 30 2HD2 LEU 30 -3.263 22.432 19.166
239 HD23 LEU 30 3HD2 LEU 30 -1.672 21.985 19.786
240 H ILE 31 H ILE 31 -2.807 27.623 21.294
241 HA ILE 31 HA ILE 31 -4.920 25.917 22.318
242 HB ILE 31 HB ILE 31 -4.892 27.006 24.554
243 HG12 ILE 31 2HG1 ILE 31 -2.214 27.750 24.824
244 HG13 ILE 31 3HG1 ILE 31 -2.723 28.480 23.306
245 HG21 ILE 31 1HG2 ILE 31 -2.446 25.411 23.804
246 HG22 ILE 31 2HG2 ILE 31 -3.019 25.668 25.451
247 HG23 ILE 31 3HG2 ILE 31 -4.012 24.772 24.302
248 HD11 ILE 31 1HD1 ILE 31 -2.982 29.848 25.439
249 HD12 ILE 31 2HD1 ILE 31 -4.364 29.768 24.346
250 HD13 ILE 31 3HD1 ILE 31 -4.339 28.783 25.808
251 HA PRO 32 HA PRO 32 -7.471 29.287 21.125
252 HB2 PRO 32 2HB PRO 32 -9.557 28.987 22.836
253 HB3 PRO 32 3HB PRO 32 -9.264 27.894 21.478
254 HG2 PRO 32 2HG PRO 32 -8.587 27.542 24.373
255 HG3 PRO 32 3HG PRO 32 -9.270 26.368 23.233
256 HD2 PRO 32 2HD PRO 32 -6.647 26.390 23.905
257 HD3 PRO 32 3HD PRO 32 -7.217 25.891 22.300
258 H GLU 33 H GLU 33 -7.144 31.378 21.513
259 HA GLU 33 HA GLU 33 -7.179 32.319 24.302
260 HB2 GLU 33 2HB GLU 33 -5.042 32.497 22.357
261 HB3 GLU 33 3HB GLU 33 -5.554 34.097 22.875
262 HG2 GLU 33 2HG GLU 33 -4.944 31.935 24.855
263 HG3 GLU 33 3HG GLU 33 -3.676 32.950 24.171
264 H ILE 34 H ILE 34 -6.865 33.942 21.154
265 HA ILE 34 HA ILE 34 -9.512 35.121 21.468
266 HB ILE 34 HB ILE 34 -8.497 37.406 20.909
267 HG12 ILE 34 2HG1 ILE 34 -6.052 36.025 22.037
268 HG13 ILE 34 3HG1 ILE 34 -6.233 36.626 20.393
269 HG21 ILE 34 1HG2 ILE 34 -8.180 37.943 23.263
270 HG22 ILE 34 2HG2 ILE 34 -9.549 36.853 23.048
271 HG23 ILE 34 3HG2 ILE 34 -8.011 36.229 23.643
272 HD11 ILE 34 1HD1 ILE 34 -4.966 38.248 21.477
273 HD12 ILE 34 2HD1 ILE 34 -6.600 38.912 21.471
274 HD13 ILE 34 3HD1 ILE 34 -5.952 38.176 22.937
275 H ASN 35 H ASN 35 -6.559 34.870 19.533
276 HA ASN 35 HA ASN 35 -8.169 34.520 17.144
277 HB2 ASN 35 2HB ASN 35 -7.559 37.038 17.535
278 HB3 ASN 35 3HB ASN 35 -5.963 36.544 16.975
279 HD21 ASN 35 1HD2 ASN 35 -6.331 38.009 15.217
280 HD22 ASN 35 2HD2 ASN 35 -7.266 37.503 13.855
281 H LEU 36 H LEU 36 -6.265 32.985 18.843
282 HA LEU 36 HA LEU 36 -3.844 32.654 17.380
283 HB2 LEU 36 2HB LEU 36 -4.018 32.085 19.742
284 HB3 LEU 36 3HB LEU 36 -5.201 30.834 19.365
285 HG LEU 36 HG LEU 36 -2.534 30.624 18.079
286 HD11 LEU 36 1HD1 LEU 36 -1.489 30.874 20.051
287 HD12 LEU 36 2HD1 LEU 36 -2.090 29.246 20.362
288 HD13 LEU 36 3HD1 LEU 36 -2.967 30.643 20.985
289 HD21 LEU 36 1HD2 LEU 36 -3.017 28.197 18.764
290 HD22 LEU 36 2HD2 LEU 36 -4.009 28.916 17.495
291 HD23 LEU 36 3HD2 LEU 36 -4.643 28.773 19.136
292 H ASN 37 H ASN 37 -6.973 31.034 17.379
293 HA ASN 37 HA ASN 37 -6.339 28.819 15.811
294 HB2 ASN 37 2HB ASN 37 -8.763 30.215 16.642
295 HB3 ASN 37 3HB ASN 37 -8.918 29.495 15.042
296 HD21 ASN 37 1HD2 ASN 37 -7.499 28.622 18.180
297 HD22 ASN 37 2HD2 ASN 37 -8.157 27.025 18.222
298 H ASP 38 H ASP 38 -7.583 31.994 14.785
299 HA ASP 38 HA ASP 38 -7.660 31.543 12.051
300 HB2 ASP 38 2HB ASP 38 -8.292 33.643 13.581
301 HB3 ASP 38 3HB ASP 38 -6.741 34.218 12.976
302 H THR 39 H THR 39 -4.940 32.168 14.133
303 HA THR 39 HA THR 39 -3.101 32.776 12.014
304 HB THR 39 HB THR 39 -1.720 31.846 14.336
305 HG1 THR 39 HG1 THR 39 -3.839 33.682 14.868
306 HG21 THR 39 1HG2 THR 39 -0.760 33.520 12.971
307 HG22 THR 39 2HG2 THR 39 -1.168 34.326 14.486
308 HG23 THR 39 3HG2 THR 39 -2.199 34.534 13.070
309 H PHE 40 H PHE 40 -3.448 29.996 14.225
310 HA PHE 40 HA PHE 40 -1.541 28.363 13.001
311 HB2 PHE 40 2HB PHE 40 -2.667 28.015 15.251
312 HB3 PHE 40 3HB PHE 40 -4.039 27.357 14.365
313 HD1 PHE 40 HD1 PHE 40 -0.391 26.923 13.786
314 HD2 PHE 40 HD2 PHE 40 -4.082 25.100 14.868
315 HE1 PHE 40 HE1 PHE 40 0.695 24.715 13.757
316 HE2 PHE 40 HE2 PHE 40 -3.002 22.890 14.841
317 HZ PHE 40 HZ PHE 40 -0.611 22.695 14.286
318 H ASP 41 H ASP 41 -4.993 28.747 12.364
319 HA ASP 41 HA ASP 41 -5.346 26.637 10.576
320 HB2 ASP 41 2HB ASP 41 -7.015 28.438 11.616
321 HB3 ASP 41 3HB ASP 41 -6.770 29.199 10.046
322 H THR 42 H THR 42 -4.802 30.068 9.754
323 HA THR 42 HA THR 42 -4.439 29.700 7.016
324 HB THR 42 HB THR 42 -4.571 31.890 8.548
325 HG1 THR 42 HG1 THR 42 -4.853 32.368 6.490
326 HG21 THR 42 1HG2 THR 42 -2.544 33.011 8.840
327 HG22 THR 42 2HG2 THR 42 -1.688 31.954 7.717
328 HG23 THR 42 3HG2 THR 42 -2.163 31.354 9.306
329 H PHE 43 H PHE 43 -2.312 29.052 9.655
330 HA PHE 43 HA PHE 43 0.116 29.076 8.134
331 HB2 PHE 43 2HB PHE 43 -0.117 29.374 10.666
332 HB3 PHE 43 3HB PHE 43 -0.314 27.626 10.741
333 HD1 PHE 43 HD1 PHE 43 1.609 26.902 11.825
334 HD2 PHE 43 HD2 PHE 43 1.939 29.609 8.558
335 HE1 PHE 43 HE1 PHE 43 4.054 26.627 11.849
336 HE2 PHE 43 HE2 PHE 43 4.384 29.338 8.575
337 HZ PHE 43 HZ PHE 43 5.445 27.845 10.222
338 H ALA 44 H ALA 44 -1.883 26.473 9.521
339 HA ALA 44 HA ALA 44 -0.427 24.377 8.280
340 HB1 ALA 44 1HB ALA 44 -1.825 22.966 9.372
341 HB2 ALA 44 2HB ALA 44 -2.172 24.427 10.297
342 HB3 ALA 44 3HB ALA 44 -3.260 23.922 9.004
343 H LEU 45 H LEU 45 -3.519 25.951 7.499
344 HA LEU 45 HA LEU 45 -4.334 24.464 5.351
345 HB2 LEU 45 2HB LEU 45 -5.285 26.644 6.487
346 HB3 LEU 45 3HB LEU 45 -4.487 27.429 5.126
347 HG LEU 45 HG LEU 45 -6.742 27.148 4.498
348 HD11 LEU 45 1HD1 LEU 45 -5.361 24.788 3.248
349 HD12 LEU 45 2HD1 LEU 45 -4.968 26.458 2.841
350 HD13 LEU 45 3HD1 LEU 45 -6.591 25.836 2.540
351 HD21 LEU 45 1HD2 LEU 45 -7.216 25.436 6.281
352 HD22 LEU 45 2HD2 LEU 45 -6.580 24.219 5.174
353 HD23 LEU 45 3HD2 LEU 45 -8.008 25.155 4.730
354 H ASP 46 H ASP 46 -2.376 27.436 5.074
355 HA ASP 46 HA ASP 46 -1.809 27.347 2.395
356 HB2 ASP 46 2HB ASP 46 -0.995 28.912 4.475
357 HB3 ASP 46 3HB ASP 46 0.505 28.085 4.065
358 H PHE 47 H PHE 47 0.075 25.814 4.997
359 HA PHE 47 HA PHE 47 2.050 24.660 3.411
360 HB2 PHE 47 2HB PHE 47 1.049 24.330 6.135
361 HB3 PHE 47 3HB PHE 47 1.681 22.833 5.456
362 HD1 PHE 47 HD1 PHE 47 3.966 23.363 4.011
363 HD2 PHE 47 HD2 PHE 47 2.547 25.469 7.427
364 HE1 PHE 47 HE1 PHE 47 6.260 24.107 4.501
365 HE2 PHE 47 HE2 PHE 47 4.838 26.218 7.921
366 HZ PHE 47 HZ PHE 47 6.698 25.537 6.457
367 H SER 48 H SER 48 -0.918 23.120 4.652
368 HA SER 48 HA SER 48 -0.676 20.674 3.400
369 HB2 SER 48 2HB SER 48 -2.556 21.798 4.991
370 HB3 SER 48 3HB SER 48 -3.414 21.804 3.450
371 HG SER 48 HG SER 48 -3.571 19.850 4.845
372 H ARG 49 H ARG 49 -2.129 23.651 2.132
373 HA ARG 49 HA ARG 49 -3.207 22.816 -0.223
374 HB2 ARG 49 2HB ARG 49 -2.461 25.271 0.871
375 HB3 ARG 49 3HB ARG 49 -1.616 25.203 -0.670
376 HG2 ARG 49 2HG ARG 49 -4.513 24.515 -0.565
377 HG3 ARG 49 3HG ARG 49 -4.015 26.207 -0.516
378 HD2 ARG 49 2HD ARG 49 -2.601 24.738 -2.568
379 HD3 ARG 49 3HD ARG 49 -4.348 24.621 -2.778
380 HE ARG 49 HE ARG 49 -3.477 27.300 -2.285
381 HH11 ARG 49 1HH1 ARG 49 -3.945 25.987 -6.037
382 HH12 ARG 49 2HH1 ARG 49 -3.834 24.852 -4.734
383 HH21 ARG 49 1HH2 ARG 49 -3.824 28.236 -5.615
384 HH22 ARG 49 2HH2 ARG 49 -3.622 28.805 -3.992
385 H GLU 50 H GLU 50 0.221 23.512 0.378
386 HA GLU 50 HA GLU 50 1.003 22.820 -2.297
387 HB2 GLU 50 2HB GLU 50 2.189 24.139 -0.107
388 HB3 GLU 50 3HB GLU 50 3.187 22.728 -0.424
389 HG2 GLU 50 2HG GLU 50 3.481 23.407 -2.725
390 HG3 GLU 50 3HG GLU 50 2.403 24.780 -2.480
391 H LYS 51 H LYS 51 0.844 21.201 0.803
392 HA LYS 51 HA LYS 51 2.427 18.959 0.196
393 HB2 LYS 51 2HB LYS 51 1.805 18.194 2.237
394 HB3 LYS 51 3HB LYS 51 1.191 19.831 2.427
395 HG2 LYS 51 2HG LYS 51 -0.641 18.665 3.085
396 HG3 LYS 51 3HG LYS 51 -0.974 18.762 1.354
397 HD2 LYS 51 2HD LYS 51 0.445 16.517 1.345
398 HD3 LYS 51 3HD LYS 51 -0.141 16.439 3.008
399 HE2 LYS 51 2HE LYS 51 -2.435 16.614 2.232
400 HE3 LYS 51 3HE LYS 51 -1.881 16.786 0.568
401 HZ1 LYS 51 1HZ LYS 51 -0.949 14.561 0.685
402 HZ2 LYS 51 2HZ LYS 51 -2.605 14.530 1.031
403 HZ3 LYS 51 3HZ LYS 51 -1.477 14.395 2.284
404 H LYS 52 H LYS 52 -0.837 19.800 -0.645
405 HA LYS 52 HA LYS 52 -1.620 17.146 -1.414
406 HB2 LYS 52 2HB LYS 52 -3.350 18.651 -0.721
407 HB3 LYS 52 3HB LYS 52 -2.845 19.864 -1.890
408 HG2 LYS 52 2HG LYS 52 -4.837 18.812 -2.686
409 HG3 LYS 52 3HG LYS 52 -3.490 18.308 -3.709
410 HD2 LYS 52 2HD LYS 52 -3.386 16.175 -2.665
411 HD3 LYS 52 3HD LYS 52 -4.488 16.678 -1.380
412 HE2 LYS 52 2HE LYS 52 -6.098 17.127 -3.426
413 HE3 LYS 52 3HE LYS 52 -5.063 15.930 -4.203
414 HZ1 LYS 52 1HZ LYS 52 -5.603 14.339 -2.549
415 HZ2 LYS 52 2HZ LYS 52 -7.064 15.009 -3.074
416 HZ3 LYS 52 3HZ LYS 52 -6.400 15.486 -1.593
417 H LEU 53 H LEU 53 -0.821 20.124 -3.199
418 HA LEU 53 HA LEU 53 -1.057 19.170 -5.777
419 HB2 LEU 53 2HB LEU 53 -0.470 21.528 -4.862
420 HB3 LEU 53 3HB LEU 53 1.199 20.986 -5.027
421 HG LEU 53 HG LEU 53 0.784 20.599 -7.442
422 HD11 LEU 53 1HD1 LEU 53 -1.498 22.233 -7.798
423 HD12 LEU 53 2HD1 LEU 53 -1.919 20.968 -6.645
424 HD13 LEU 53 3HD1 LEU 53 -1.283 20.537 -8.232
425 HD21 LEU 53 1HD2 LEU 53 1.667 22.762 -6.411
426 HD22 LEU 53 2HD2 LEU 53 0.062 23.423 -6.720
427 HD23 LEU 53 3HD2 LEU 53 1.050 22.842 -8.061
428 H LEU 54 H LEU 54 1.419 18.536 -3.427
429 HA LEU 54 HA LEU 54 3.376 17.548 -5.253
430 HB2 LEU 54 2HB LEU 54 3.656 18.369 -2.818
431 HB3 LEU 54 3HB LEU 54 3.187 16.728 -2.378
432 HG LEU 54 HG LEU 54 5.551 17.402 -4.126
433 HD11 LEU 54 1HD1 LEU 54 6.056 18.305 -2.002
434 HD12 LEU 54 2HD1 LEU 54 6.856 16.735 -2.072
435 HD13 LEU 54 3HD1 LEU 54 5.355 16.920 -1.164
436 HD21 LEU 54 1HD2 LEU 54 6.188 15.050 -3.450
437 HD22 LEU 54 2HD2 LEU 54 4.834 15.195 -4.570
438 HD23 LEU 54 3HD2 LEU 54 4.535 14.868 -2.862
439 H GLU 55 H GLU 55 1.312 15.856 -2.880
440 HA GLU 55 HA GLU 55 1.877 13.268 -3.777
441 HB2 GLU 55 2HB GLU 55 0.658 14.075 -1.633
442 HB3 GLU 55 3HB GLU 55 -0.794 14.015 -2.623
443 HG2 GLU 55 2HG GLU 55 -0.959 11.893 -2.000
444 HG3 GLU 55 3HG GLU 55 0.378 11.579 -3.105
445 H CYS 56 H CYS 56 -1.065 15.190 -4.405
446 HA CYS 56 HA CYS 56 -1.283 13.837 -7.007
447 HB2 CYS 56 2HB CYS 56 -3.122 13.702 -4.790
448 HB3 CYS 56 3HB CYS 56 -3.902 14.450 -6.178
449 HG CYS 56 HG CYS 56 -4.365 12.272 -7.450
450 H LEU 57 H LEU 57 -3.296 15.068 -8.184
451 HA LEU 57 HA LEU 57 -2.530 17.911 -8.139
452 HB2 LEU 57 2HB LEU 57 -2.666 16.023 -10.248
453 HB3 LEU 57 3HB LEU 57 -3.935 17.216 -10.520
454 HG LEU 57 HG LEU 57 -1.856 18.854 -10.016
455 HD11 LEU 57 1HD1 LEU 57 -0.261 17.312 -11.768
456 HD12 LEU 57 2HD1 LEU 57 -0.672 16.294 -10.388
457 HD13 LEU 57 3HD1 LEU 57 0.115 17.852 -10.132
458 HD21 LEU 57 1HD2 LEU 57 -2.891 17.634 -12.542
459 HD22 LEU 57 2HD2 LEU 57 -1.560 18.789 -12.593
460 HD23 LEU 57 3HD2 LEU 57 -3.116 19.265 -11.912
461 H ASP 58 H ASP 58 -4.044 19.426 -7.802
462 HA ASP 58 HA ASP 58 -6.850 18.880 -8.234
463 HB2 ASP 58 2HB ASP 58 -5.696 18.529 -5.637
464 HB3 ASP 58 3HB ASP 58 -6.771 19.924 -5.597
465 H TYR 59 H TYR 59 -8.196 20.836 -7.661
466 HA TYR 59 HA TYR 59 -6.668 23.333 -7.745
467 HB2 TYR 59 2HB TYR 59 -7.595 22.323 -10.063
468 HB3 TYR 59 3HB TYR 59 -9.025 23.206 -9.540
469 HD1 TYR 59 HD1 TYR 59 -9.189 25.498 -9.933
470 HD2 TYR 59 HD2 TYR 59 -5.372 23.630 -10.125
471 HE1 TYR 59 HE1 TYR 59 -8.215 27.590 -10.784
472 HE2 TYR 59 HE2 TYR 59 -4.386 25.717 -10.975
473 HH TYR 59 HH TYR 59 -4.890 27.749 -11.895
474 H LEU 60 H LEU 60 -7.326 24.273 -5.916
475 HA LEU 60 HA LEU 60 -8.662 25.102 -4.268
476 HB2 LEU 60 2HB LEU 60 -9.458 26.184 -6.578
477 HB3 LEU 60 3HB LEU 60 -10.954 25.369 -6.125
478 HG LEU 60 HG LEU 60 -10.686 26.616 -3.878
479 HD11 LEU 60 1HD1 LEU 60 -9.399 28.832 -5.233
480 HD12 LEU 60 2HD1 LEU 60 -8.330 27.441 -5.062
481 HD13 LEU 60 3HD1 LEU 60 -9.091 28.148 -3.637
482 HD21 LEU 60 1HD2 LEU 60 -11.728 28.669 -4.903
483 HD22 LEU 60 2HD2 LEU 60 -12.493 27.135 -5.319
484 HD23 LEU 60 3HD2 LEU 60 -11.430 27.935 -6.479
Start of MODEL 13
1 H LEU 1 H LEU 1 10.529 -2.306 1.986
2 HA LEU 1 HA LEU 1 11.416 -1.065 0.035
3 HB2 LEU 1 2HB LEU 1 8.953 -2.278 -1.205
4 HB3 LEU 1 3HB LEU 1 9.917 -1.006 -1.952
5 HG LEU 1 HG LEU 1 11.121 -3.655 -1.211
6 HD11 LEU 1 1HD1 LEU 1 9.564 -2.932 -3.677
7 HD12 LEU 1 2HD1 LEU 1 9.343 -4.316 -2.608
8 HD13 LEU 1 3HD1 LEU 1 10.762 -4.226 -3.652
9 HD21 LEU 1 1HD2 LEU 1 11.898 -1.264 -2.779
10 HD22 LEU 1 2HD2 LEU 1 12.416 -2.835 -3.390
11 HD23 LEU 1 3HD2 LEU 1 12.876 -2.325 -1.765
12 H LYS 2 H LYS 2 10.615 1.043 -0.588
13 HA LYS 2 HA LYS 2 8.072 1.910 0.492
14 HB2 LYS 2 2HB LYS 2 10.474 2.197 2.009
15 HB3 LYS 2 3HB LYS 2 9.959 3.795 1.484
16 HG2 LYS 2 2HG LYS 2 7.959 3.675 2.645
17 HG3 LYS 2 3HG LYS 2 8.003 1.913 2.735
18 HD2 LYS 2 2HD LYS 2 10.289 3.175 4.028
19 HD3 LYS 2 3HD LYS 2 8.745 3.659 4.735
20 HE2 LYS 2 2HE LYS 2 9.578 0.801 4.256
21 HE3 LYS 2 3HE LYS 2 9.768 1.646 5.791
22 HZ1 LYS 2 1HZ LYS 2 7.412 1.897 5.962
23 HZ2 LYS 2 2HZ LYS 2 7.743 0.266 5.662
24 HZ3 LYS 2 3HZ LYS 2 7.167 1.254 4.416
25 H GLU 3 H GLU 3 11.168 3.433 -0.424
26 HA GLU 3 HA GLU 3 9.959 5.544 -1.848
27 HB2 GLU 3 2HB GLU 3 12.400 5.242 -0.914
28 HB3 GLU 3 3HB GLU 3 12.716 4.599 -2.519
29 HG2 GLU 3 2HG GLU 3 12.439 6.615 -3.539
30 HG3 GLU 3 3HG GLU 3 11.310 7.203 -2.319
31 H ASN 4 H ASN 4 9.010 5.554 -3.768
32 HA ASN 4 HA ASN 4 10.003 3.909 -5.932
33 HB2 ASN 4 2HB ASN 4 7.524 3.277 -4.459
34 HB3 ASN 4 3HB ASN 4 7.365 3.302 -6.213
35 HD21 ASN 4 1HD2 ASN 4 8.101 1.628 -7.364
36 HD22 ASN 4 2HD2 ASN 4 8.954 0.278 -6.706
37 H ASP 5 H ASP 5 7.138 5.817 -4.993
38 HA ASP 5 HA ASP 5 7.714 7.924 -6.796
39 HB2 ASP 5 2HB ASP 5 6.309 5.659 -7.893
40 HB3 ASP 5 3HB ASP 5 5.267 7.080 -7.910
41 H HIS 6 H HIS 6 4.621 6.387 -5.934
42 HA HIS 6 HA HIS 6 3.475 8.833 -5.062
43 HB2 HIS 6 2HB HIS 6 2.292 6.708 -5.928
44 HB3 HIS 6 3HB HIS 6 2.447 6.116 -4.276
45 HD1 HIS 6 HD1 HIS 6 -0.217 6.139 -4.281
46 HD2 HIS 6 HD2 HIS 6 1.621 9.860 -4.481
47 HE1 HIS 6 HE1 HIS 6 -2.006 7.805 -3.691
48 H ALA 7 H ALA 7 5.019 6.139 -3.407
49 HA ALA 7 HA ALA 7 4.328 6.702 -0.780
50 HB1 ALA 7 1HB ALA 7 6.635 5.345 -2.075
51 HB2 ALA 7 2HB ALA 7 6.739 5.723 -0.355
52 HB3 ALA 7 3HB ALA 7 5.429 4.707 -0.957
53 H ARG 8 H ARG 8 6.732 8.205 -2.846
54 HA ARG 8 HA ARG 8 7.902 9.739 -0.702
55 HB2 ARG 8 2HB ARG 8 9.316 9.086 -2.551
56 HB3 ARG 8 3HB ARG 8 8.242 9.870 -3.701
57 HG2 ARG 8 2HG ARG 8 9.348 11.772 -3.486
58 HG3 ARG 8 3HG ARG 8 9.059 11.778 -1.745
59 HD2 ARG 8 2HD ARG 8 11.043 10.563 -1.317
60 HD3 ARG 8 3HD ARG 8 11.245 10.155 -3.020
61 HE ARG 8 HE ARG 8 12.051 12.580 -1.712
62 HH11 ARG 8 1HH1 ARG 8 11.971 12.318 -5.706
63 HH12 ARG 8 2HH1 ARG 8 11.136 11.142 -4.747
64 HH21 ARG 8 1HH2 ARG 8 13.121 14.020 -4.691
65 HH22 ARG 8 2HH2 ARG 8 13.155 14.135 -2.964
66 H PHE 9 H PHE 9 5.791 10.400 -3.479
67 HA PHE 9 HA PHE 9 5.519 13.155 -3.101
68 HB2 PHE 9 2HB PHE 9 4.010 11.047 -4.532
69 HB3 PHE 9 3HB PHE 9 3.121 12.523 -4.172
70 HD1 PHE 9 HD1 PHE 9 4.850 14.685 -4.574
71 HD2 PHE 9 HD2 PHE 9 4.754 10.994 -6.692
72 HE1 PHE 9 HE1 PHE 9 5.880 15.779 -6.522
73 HE2 PHE 9 HE2 PHE 9 5.784 12.082 -8.643
74 HZ PHE 9 HZ PHE 9 6.349 14.478 -8.559
75 H LEU 10 H LEU 10 3.535 10.477 -1.873
76 HA LEU 10 HA LEU 10 1.702 12.125 -0.472
77 HB2 LEU 10 2HB LEU 10 1.876 9.455 -1.103
78 HB3 LEU 10 3HB LEU 10 2.111 9.459 0.643
79 HG LEU 10 HG LEU 10 -0.207 10.937 -0.522
80 HD11 LEU 10 1HD1 LEU 10 -1.029 8.328 0.240
81 HD12 LEU 10 2HD1 LEU 10 0.248 8.177 -0.966
82 HD13 LEU 10 3HD1 LEU 10 -1.194 9.125 -1.325
83 HD21 LEU 10 1HD2 LEU 10 0.567 10.909 1.943
84 HD22 LEU 10 2HD2 LEU 10 -0.124 9.286 1.975
85 HD23 LEU 10 3HD2 LEU 10 -1.144 10.672 1.585
86 H GLN 11 H GLN 11 4.621 10.374 0.514
87 HA GLN 11 HA GLN 11 4.514 10.837 3.248
88 HB2 GLN 11 2HB GLN 11 6.144 9.326 2.329
89 HB3 GLN 11 3HB GLN 11 6.897 10.620 1.406
90 HG2 GLN 11 2HG GLN 11 8.238 11.113 3.090
91 HG3 GLN 11 3HG GLN 11 6.868 11.309 4.182
92 HE21 GLN 11 1HE2 GLN 11 5.877 9.105 4.821
93 HE22 GLN 11 2HE2 GLN 11 7.014 7.909 5.332
94 H THR 12 H THR 12 6.015 12.831 0.717
95 HA THR 12 HA THR 12 7.029 14.844 2.360
96 HB THR 12 HB THR 12 6.033 15.017 -0.488
97 HG1 THR 12 HG1 THR 12 8.675 14.846 0.573
98 HG21 THR 12 1HG2 THR 12 7.108 17.068 1.335
99 HG22 THR 12 2HG2 THR 12 6.122 17.244 -0.116
100 HG23 THR 12 3HG2 THR 12 7.862 17.001 -0.257
101 H ALA 13 H ALA 13 3.906 14.705 0.654
102 HA ALA 13 HA ALA 13 2.858 17.140 1.405
103 HB1 ALA 13 1HB ALA 13 1.703 14.527 0.644
104 HB2 ALA 13 2HB ALA 13 0.621 15.679 1.427
105 HB3 ALA 13 3HB ALA 13 1.459 16.126 -0.059
106 H LYS 14 H LYS 14 2.747 14.076 3.193
107 HA LYS 14 HA LYS 14 1.257 15.122 5.380
108 HB2 LYS 14 2HB LYS 14 1.857 12.619 4.556
109 HB3 LYS 14 3HB LYS 14 3.034 12.801 5.851
110 HG2 LYS 14 2HG LYS 14 1.461 12.777 7.472
111 HG3 LYS 14 3HG LYS 14 0.260 13.599 6.473
112 HD2 LYS 14 2HD LYS 14 -0.691 11.658 5.951
113 HD3 LYS 14 3HD LYS 14 0.845 11.027 5.353
114 HE2 LYS 14 2HE LYS 14 1.451 10.473 7.706
115 HE3 LYS 14 3HE LYS 14 -0.172 10.960 8.191
116 HZ1 LYS 14 1HZ LYS 14 0.320 8.488 7.713
117 HZ2 LYS 14 2HZ LYS 14 0.185 8.933 6.087
118 HZ3 LYS 14 3HZ LYS 14 -1.121 9.164 7.138
119 H ASN 15 H ASN 15 4.710 14.471 4.867
120 HA ASN 15 HA ASN 15 5.646 15.160 7.392
121 HB2 ASN 15 2HB ASN 15 6.817 14.315 5.093
122 HB3 ASN 15 3HB ASN 15 7.342 15.996 5.121
123 HD21 ASN 15 1HD2 ASN 15 9.391 15.920 5.738
124 HD22 ASN 15 2HD2 ASN 15 9.983 15.130 7.155
125 H ILE 16 H ILE 16 4.464 17.161 4.835
126 HA ILE 16 HA ILE 16 5.678 19.597 5.696
127 HB ILE 16 HB ILE 16 3.284 19.102 3.927
128 HG12 ILE 16 2HG1 ILE 16 5.853 20.216 2.928
129 HG13 ILE 16 3HG1 ILE 16 5.838 18.510 3.364
130 HG21 ILE 16 1HG2 ILE 16 2.820 21.254 4.409
131 HG22 ILE 16 2HG2 ILE 16 4.450 21.585 4.992
132 HG23 ILE 16 3HG2 ILE 16 4.118 21.578 3.260
133 HD11 ILE 16 1HD1 ILE 16 3.535 18.975 1.817
134 HD12 ILE 16 2HD1 ILE 16 4.881 19.768 0.999
135 HD13 ILE 16 3HD1 ILE 16 4.974 18.051 1.387
136 H THR 17 H THR 17 2.365 18.313 5.967
137 HA THR 17 HA THR 17 1.531 20.426 7.719
138 HB THR 17 HB THR 17 -0.074 17.951 7.692
139 HG1 THR 17 HG1 THR 17 -0.541 18.001 5.560
140 HG21 THR 17 1HG2 THR 17 -0.733 20.818 7.005
141 HG22 THR 17 2HG2 THR 17 -0.855 20.109 8.616
142 HG23 THR 17 3HG2 THR 17 -1.885 19.519 7.312
143 H GLU 18 H GLU 18 3.174 17.473 8.132
144 HA GLU 18 HA GLU 18 2.315 17.054 10.866
145 HB2 GLU 18 2HB GLU 18 2.834 15.134 9.413
146 HB3 GLU 18 3HB GLU 18 4.494 15.694 9.271
147 HG2 GLU 18 2HG GLU 18 4.189 13.844 10.884
148 HG3 GLU 18 3HG GLU 18 4.904 15.293 11.586
149 H ARG 19 H ARG 19 5.136 18.285 9.150
150 HA ARG 19 HA ARG 19 6.770 18.580 11.461
151 HB2 ARG 19 2HB ARG 19 7.865 18.446 9.349
152 HB3 ARG 19 3HB ARG 19 6.903 19.763 8.691
153 HG2 ARG 19 2HG ARG 19 8.006 21.322 10.231
154 HG3 ARG 19 3HG ARG 19 8.993 19.994 10.846
155 HD2 ARG 19 2HD ARG 19 9.137 20.060 7.987
156 HD3 ARG 19 3HD ARG 19 9.505 21.659 8.633
157 HE ARG 19 HE ARG 19 10.929 19.742 10.101
158 HH11 ARG 19 1HH1 ARG 19 12.527 20.890 6.615
159 HH12 ARG 19 2HH1 ARG 19 10.838 21.138 6.913
160 HH21 ARG 19 1HH2 ARG 19 13.842 19.907 8.211
161 HH22 ARG 19 2HH2 ARG 19 13.153 19.410 9.720
162 H VAL 20 H VAL 20 4.461 20.633 9.802
163 HA VAL 20 HA VAL 20 5.133 23.044 11.152
164 HB VAL 20 HB VAL 20 3.913 23.109 9.051
165 HG11 VAL 20 1HG1 VAL 20 1.713 22.292 8.762
166 HG12 VAL 20 2HG1 VAL 20 2.622 20.989 9.530
167 HG13 VAL 20 3HG1 VAL 20 1.522 21.982 10.487
168 HG21 VAL 20 1HG2 VAL 20 2.017 24.608 9.770
169 HG22 VAL 20 2HG2 VAL 20 2.430 24.198 11.435
170 HG23 VAL 20 3HG2 VAL 20 3.604 25.028 10.414
171 H SER 21 H SER 21 2.660 20.558 11.688
172 HA SER 21 HA SER 21 1.308 21.770 13.801
173 HB2 SER 21 2HB SER 21 0.160 19.915 13.115
174 HB3 SER 21 3HB SER 21 1.628 18.987 12.813
175 HG SER 21 HG SER 21 0.642 18.111 14.598
176 H MET 22 H MET 22 4.049 19.503 13.897
177 HA MET 22 HA MET 22 4.329 19.373 16.670
178 HB2 MET 22 2HB MET 22 5.476 17.917 14.965
179 HB3 MET 22 3HB MET 22 6.588 19.246 14.671
180 HG2 MET 22 2HG MET 22 7.444 19.127 16.885
181 HG3 MET 22 3HG MET 22 6.184 17.996 17.372
182 HE1 MET 22 1HE MET 22 8.958 18.825 15.147
183 HE2 MET 22 2HE MET 22 10.094 17.503 15.419
184 HE3 MET 22 3HE MET 22 8.981 17.443 14.051
185 H ALA 23 H ALA 23 5.716 21.638 14.332
186 HA ALA 23 HA ALA 23 7.359 23.033 16.157
187 HB1 ALA 23 1HB ALA 23 6.239 23.682 13.457
188 HB2 ALA 23 2HB ALA 23 7.141 24.888 14.376
189 HB3 ALA 23 3HB ALA 23 7.910 23.366 13.926
190 H THR 24 H THR 24 4.253 24.043 14.711
191 HA THR 24 HA THR 24 3.846 26.302 16.268
192 HB THR 24 HB THR 24 1.458 24.669 15.552
193 HG1 THR 24 HG1 THR 24 1.753 25.173 13.352
194 HG21 THR 24 1HG2 THR 24 2.223 27.499 15.806
195 HG22 THR 24 2HG2 THR 24 0.670 26.714 16.092
196 HG23 THR 24 3HG2 THR 24 1.158 27.132 14.450
197 H ALA 25 H ALA 25 3.356 22.941 17.040
198 HA ALA 25 HA ALA 25 1.770 23.450 19.389
199 HB1 ALA 25 1HB ALA 25 1.815 21.099 19.746
200 HB2 ALA 25 2HB ALA 25 1.631 21.359 18.011
201 HB3 ALA 25 3HB ALA 25 3.200 20.899 18.672
202 H SER 26 H SER 26 5.136 23.205 18.622
203 HA SER 26 HA SER 26 5.859 23.016 21.456
204 HB2 SER 26 2HB SER 26 7.167 22.289 18.927
205 HB3 SER 26 3HB SER 26 8.236 23.080 20.085
206 HG SER 26 HG SER 26 8.108 20.761 20.306
207 H SER 27 H SER 27 5.001 25.384 19.463
208 HA SER 27 HA SER 27 7.092 27.262 20.321
209 HB2 SER 27 2HB SER 27 6.952 27.765 18.112
210 HB3 SER 27 3HB SER 27 5.335 27.079 17.956
211 HG SER 27 HG SER 27 4.836 29.137 17.826
212 H GLN 28 H GLN 28 3.567 26.881 20.154
213 HA GLN 28 HA GLN 28 3.340 28.879 22.308
214 HB2 GLN 28 2HB GLN 28 1.448 28.300 20.028
215 HB3 GLN 28 3HB GLN 28 1.020 29.291 21.416
216 HG2 GLN 28 2HG GLN 28 3.457 30.292 20.431
217 HG3 GLN 28 3HG GLN 28 2.413 30.021 19.037
218 HE21 GLN 28 1HE2 GLN 28 0.748 31.370 18.669
219 HE22 GLN 28 2HE2 GLN 28 0.337 32.714 19.674
220 H VAL 29 H VAL 29 3.446 25.754 21.999
221 HA VAL 29 HA VAL 29 2.677 23.987 23.214
222 HB VAL 29 HB VAL 29 1.026 25.872 24.875
223 HG11 VAL 29 1HG1 VAL 29 0.604 23.752 25.636
224 HG12 VAL 29 2HG1 VAL 29 2.207 23.157 25.198
225 HG13 VAL 29 3HG1 VAL 29 2.001 24.172 26.626
226 HG21 VAL 29 1HG2 VAL 29 4.005 25.453 24.954
227 HG22 VAL 29 2HG2 VAL 29 3.125 26.973 24.794
228 HG23 VAL 29 3HG2 VAL 29 3.085 26.088 26.319
229 H LEU 30 H LEU 30 1.015 25.521 21.063
230 HA LEU 30 HA LEU 30 -1.007 25.329 20.026
231 HB2 LEU 30 2HB LEU 30 0.034 22.907 20.220
232 HB3 LEU 30 3HB LEU 30 -1.378 22.639 21.241
233 HG LEU 30 HG LEU 30 -2.796 23.397 19.310
234 HD11 LEU 30 1HD1 LEU 30 -0.205 23.955 18.212
235 HD12 LEU 30 2HD1 LEU 30 -1.800 24.361 17.580
236 HD13 LEU 30 3HD1 LEU 30 -1.066 22.806 17.188
237 HD21 LEU 30 1HD2 LEU 30 -2.992 21.262 18.578
238 HD22 LEU 30 2HD2 LEU 30 -1.930 20.953 19.952
239 HD23 LEU 30 3HD2 LEU 30 -1.257 21.070 18.325
240 H ILE 31 H ILE 31 -1.453 26.857 22.076
241 HA ILE 31 HA ILE 31 -4.003 25.894 23.162
242 HB ILE 31 HB ILE 31 -3.514 26.979 25.331
243 HG12 ILE 31 2HG1 ILE 31 -0.728 27.039 25.403
244 HG13 ILE 31 3HG1 ILE 31 -1.138 27.814 23.876
245 HG21 ILE 31 1HG2 ILE 31 -1.290 25.061 25.066
246 HG22 ILE 31 2HG2 ILE 31 -2.650 25.076 26.186
247 HG23 ILE 31 3HG2 ILE 31 -2.873 24.494 24.537
248 HD11 ILE 31 1HD1 ILE 31 -1.220 28.892 26.491
249 HD12 ILE 31 2HD1 ILE 31 -1.605 29.678 24.960
250 HD13 ILE 31 3HD1 ILE 31 -2.868 28.845 25.865
251 HA PRO 32 HA PRO 32 -5.585 29.801 21.929
252 HB2 PRO 32 2HB PRO 32 -7.556 30.156 23.762
253 HB3 PRO 32 3HB PRO 32 -7.668 28.980 22.447
254 HG2 PRO 32 2HG PRO 32 -6.928 28.549 25.315
255 HG3 PRO 32 3HG PRO 32 -7.983 27.576 24.274
256 HD2 PRO 32 2HD PRO 32 -5.420 26.884 24.803
257 HD3 PRO 32 3HD PRO 32 -6.209 26.512 23.257
258 H GLU 33 H GLU 33 -6.229 31.996 22.866
259 HA GLU 33 HA GLU 33 -5.343 32.884 25.362
260 HB2 GLU 33 2HB GLU 33 -3.230 32.500 23.442
261 HB3 GLU 33 3HB GLU 33 -3.374 34.206 23.842
262 HG2 GLU 33 2HG GLU 33 -3.402 32.297 26.098
263 HG3 GLU 33 3HG GLU 33 -1.877 32.507 25.240
264 H ILE 34 H ILE 34 -5.287 33.916 21.952
265 HA ILE 34 HA ILE 34 -7.189 36.034 22.609
266 HB ILE 34 HB ILE 34 -4.591 36.568 21.163
267 HG12 ILE 34 2HG1 ILE 34 -4.414 36.375 23.644
268 HG13 ILE 34 3HG1 ILE 34 -4.025 37.982 23.040
269 HG21 ILE 34 1HG2 ILE 34 -7.140 38.011 21.298
270 HG22 ILE 34 2HG2 ILE 34 -5.717 38.994 21.640
271 HG23 ILE 34 3HG2 ILE 34 -5.836 38.115 20.116
272 HD11 ILE 34 1HD1 ILE 34 -6.734 37.259 24.110
273 HD12 ILE 34 2HD1 ILE 34 -5.430 37.886 25.120
274 HD13 ILE 34 3HD1 ILE 34 -6.074 38.865 23.802
275 H ASN 35 H ASN 35 -5.256 34.574 19.999
276 HA ASN 35 HA ASN 35 -7.631 34.077 18.450
277 HB2 ASN 35 2HB ASN 35 -6.420 36.538 18.059
278 HB3 ASN 35 3HB ASN 35 -5.747 35.545 16.770
279 HD21 ASN 35 1HD2 ASN 35 -6.823 36.559 15.129
280 HD22 ASN 35 2HD2 ASN 35 -8.532 36.447 14.906
281 H LEU 36 H LEU 36 -5.385 32.604 19.638
282 HA LEU 36 HA LEU 36 -3.468 31.781 17.815
283 HB2 LEU 36 2HB LEU 36 -3.290 31.103 20.081
284 HB3 LEU 36 3HB LEU 36 -4.857 30.298 20.032
285 HG LEU 36 HG LEU 36 -3.213 29.061 18.087
286 HD11 LEU 36 1HD1 LEU 36 -1.571 28.185 19.988
287 HD12 LEU 36 2HD1 LEU 36 -1.790 29.837 20.564
288 HD13 LEU 36 3HD1 LEU 36 -1.169 29.545 18.939
289 HD21 LEU 36 1HD2 LEU 36 -4.699 27.612 18.968
290 HD22 LEU 36 2HD2 LEU 36 -4.666 28.375 20.558
291 HD23 LEU 36 3HD2 LEU 36 -3.379 27.264 20.085
292 H ASN 37 H ASN 37 -6.811 30.735 18.182
293 HA ASN 37 HA ASN 37 -6.776 28.504 16.512
294 HB2 ASN 37 2HB ASN 37 -8.820 30.329 17.585
295 HB3 ASN 37 3HB ASN 37 -9.270 29.541 16.075
296 HD21 ASN 37 1HD2 ASN 37 -10.672 28.033 16.684
297 HD22 ASN 37 2HD2 ASN 37 -10.370 26.808 17.864
298 H ASP 38 H ASP 38 -7.536 31.888 15.707
299 HA ASP 38 HA ASP 38 -7.973 31.505 12.971
300 HB2 ASP 38 2HB ASP 38 -7.122 33.885 14.602
301 HB3 ASP 38 3HB ASP 38 -7.261 33.991 12.849
302 H THR 39 H THR 39 -5.018 32.600 14.636
303 HA THR 39 HA THR 39 -3.372 32.775 12.399
304 HB THR 39 HB THR 39 -2.046 31.778 14.836
305 HG1 THR 39 HG1 THR 39 -2.531 33.718 15.985
306 HG21 THR 39 1HG2 THR 39 -1.747 34.067 12.920
307 HG22 THR 39 2HG2 THR 39 -0.621 32.756 13.271
308 HG23 THR 39 3HG2 THR 39 -0.867 34.046 14.448
309 H PHE 40 H PHE 40 -3.835 30.032 14.620
310 HA PHE 40 HA PHE 40 -2.059 28.264 13.386
311 HB2 PHE 40 2HB PHE 40 -3.239 28.010 15.636
312 HB3 PHE 40 3HB PHE 40 -4.624 27.416 14.726
313 HD1 PHE 40 HD1 PHE 40 -0.996 26.801 14.201
314 HD2 PHE 40 HD2 PHE 40 -4.783 25.168 15.254
315 HE1 PHE 40 HE1 PHE 40 -0.019 24.542 14.200
316 HE2 PHE 40 HE2 PHE 40 -3.812 22.908 15.255
317 HZ PHE 40 HZ PHE 40 -1.427 22.592 14.728
318 H ASP 41 H ASP 41 -5.395 29.065 12.656
319 HA ASP 41 HA ASP 41 -5.839 26.946 10.814
320 HB2 ASP 41 2HB ASP 41 -7.485 28.676 12.035
321 HB3 ASP 41 3HB ASP 41 -7.320 29.502 10.487
322 H THR 42 H THR 42 -5.343 30.435 10.248
323 HA THR 42 HA THR 42 -5.055 30.269 7.475
324 HB THR 42 HB THR 42 -5.294 32.357 9.029
325 HG1 THR 42 HG1 THR 42 -3.543 32.633 6.813
326 HG21 THR 42 1HG2 THR 42 -2.300 32.319 8.651
327 HG22 THR 42 2HG2 THR 42 -3.107 31.926 10.170
328 HG23 THR 42 3HG2 THR 42 -3.260 33.542 9.482
329 H PHE 43 H PHE 43 -2.812 29.595 10.036
330 HA PHE 43 HA PHE 43 -0.437 29.758 8.463
331 HB2 PHE 43 2HB PHE 43 -0.392 29.956 10.914
332 HB3 PHE 43 3HB PHE 43 -0.944 28.291 11.061
333 HD1 PHE 43 HD1 PHE 43 0.902 27.451 12.286
334 HD2 PHE 43 HD2 PHE 43 1.519 29.458 8.584
335 HE1 PHE 43 HE1 PHE 43 3.237 26.676 12.259
336 HE2 PHE 43 HE2 PHE 43 3.854 28.685 8.550
337 HZ PHE 43 HZ PHE 43 4.716 27.292 10.389
338 H ALA 44 H ALA 44 -2.124 26.934 9.850
339 HA ALA 44 HA ALA 44 -0.706 24.978 8.468
340 HB1 ALA 44 1HB ALA 44 -2.244 24.610 10.404
341 HB2 ALA 44 2HB ALA 44 -3.598 24.769 9.284
342 HB3 ALA 44 3HB ALA 44 -2.437 23.457 9.084
343 H LEU 45 H LEU 45 -3.761 26.575 7.598
344 HA LEU 45 HA LEU 45 -4.482 25.223 5.347
345 HB2 LEU 45 2HB LEU 45 -5.422 27.394 6.504
346 HB3 LEU 45 3HB LEU 45 -4.517 28.199 5.225
347 HG LEU 45 HG LEU 45 -6.737 28.025 4.453
348 HD11 LEU 45 1HD1 LEU 45 -5.270 25.700 3.221
349 HD12 LEU 45 2HD1 LEU 45 -4.965 27.392 2.833
350 HD13 LEU 45 3HD1 LEU 45 -6.537 26.677 2.480
351 HD21 LEU 45 1HD2 LEU 45 -7.054 25.128 4.550
352 HD22 LEU 45 2HD2 LEU 45 -8.180 26.409 4.998
353 HD23 LEU 45 3HD2 LEU 45 -6.950 25.874 6.145
354 H ASP 46 H ASP 46 -2.398 28.121 5.294
355 HA ASP 46 HA ASP 46 -1.685 28.123 2.653
356 HB2 ASP 46 2HB ASP 46 -0.879 29.504 4.893
357 HB3 ASP 46 3HB ASP 46 0.596 28.671 4.410
358 H PHE 47 H PHE 47 -0.145 26.283 5.268
359 HA PHE 47 HA PHE 47 1.929 25.146 3.797
360 HB2 PHE 47 2HB PHE 47 0.655 24.694 6.367
361 HB3 PHE 47 3HB PHE 47 1.164 23.181 5.625
362 HD1 PHE 47 HD1 PHE 47 3.618 23.685 4.335
363 HD2 PHE 47 HD2 PHE 47 2.152 25.380 7.954
364 HE1 PHE 47 HE1 PHE 47 5.929 24.101 5.072
365 HE2 PHE 47 HE2 PHE 47 4.460 25.800 8.696
366 HZ PHE 47 HZ PHE 47 6.352 25.161 7.255
367 H SER 48 H SER 48 -1.328 23.864 4.431
368 HA SER 48 HA SER 48 -1.125 21.451 3.104
369 HB2 SER 48 2HB SER 48 -3.099 22.507 4.460
370 HB3 SER 48 3HB SER 48 -3.643 23.070 2.880
371 HG SER 48 HG SER 48 -3.498 20.834 2.203
372 H ARG 49 H ARG 49 -2.020 24.619 1.774
373 HA ARG 49 HA ARG 49 -2.665 23.936 -0.803
374 HB2 ARG 49 2HB ARG 49 -2.895 26.206 -0.096
375 HB3 ARG 49 3HB ARG 49 -1.174 26.342 0.240
376 HG2 ARG 49 2HG ARG 49 -1.696 27.518 -1.789
377 HG3 ARG 49 3HG ARG 49 -0.715 26.100 -2.170
378 HD2 ARG 49 2HD ARG 49 -2.312 25.247 -3.467
379 HD3 ARG 49 3HD ARG 49 -3.535 25.474 -2.217
380 HE ARG 49 HE ARG 49 -3.097 27.970 -3.283
381 HH11 ARG 49 1HH1 ARG 49 -5.106 25.530 -5.741
382 HH12 ARG 49 2HH1 ARG 49 -4.123 24.865 -4.478
383 HH21 ARG 49 1HH2 ARG 49 -5.254 27.801 -6.004
384 HH22 ARG 49 2HH2 ARG 49 -4.387 28.857 -4.942
385 H GLU 50 H GLU 50 0.570 24.411 0.560
386 HA GLU 50 HA GLU 50 1.947 24.010 -1.897
387 HB2 GLU 50 2HB GLU 50 2.824 25.172 0.196
388 HB3 GLU 50 3HB GLU 50 3.089 23.564 0.856
389 HG2 GLU 50 2HG GLU 50 4.678 23.043 -0.827
390 HG3 GLU 50 3HG GLU 50 4.272 24.491 -1.745
391 H LYS 51 H LYS 51 0.871 21.903 0.687
392 HA LYS 51 HA LYS 51 2.369 19.620 0.042
393 HB2 LYS 51 2HB LYS 51 1.366 19.278 2.049
394 HB3 LYS 51 3HB LYS 51 -0.059 20.213 1.615
395 HG2 LYS 51 2HG LYS 51 0.210 17.678 0.173
396 HG3 LYS 51 3HG LYS 51 0.005 17.516 1.919
397 HD2 LYS 51 2HD LYS 51 -2.128 18.238 1.859
398 HD3 LYS 51 3HD LYS 51 -1.782 19.467 0.640
399 HE2 LYS 51 2HE LYS 51 -3.328 17.528 -0.011
400 HE3 LYS 51 3HE LYS 51 -2.029 17.958 -1.123
401 HZ1 LYS 51 1HZ LYS 51 -2.494 15.476 -0.325
402 HZ2 LYS 51 2HZ LYS 51 -1.399 15.942 0.876
403 HZ3 LYS 51 3HZ LYS 51 -0.953 16.028 -0.753
404 H LYS 52 H LYS 52 -0.573 20.938 -1.312
405 HA LYS 52 HA LYS 52 -1.259 18.600 -2.816
406 HB2 LYS 52 2HB LYS 52 -2.184 21.360 -3.535
407 HB3 LYS 52 3HB LYS 52 -3.050 19.834 -3.660
408 HG2 LYS 52 2HG LYS 52 -2.730 19.937 -1.004
409 HG3 LYS 52 3HG LYS 52 -2.749 21.664 -1.366
410 HD2 LYS 52 2HD LYS 52 -4.857 21.186 -2.721
411 HD3 LYS 52 3HD LYS 52 -4.876 19.612 -1.922
412 HE2 LYS 52 2HE LYS 52 -4.595 21.135 0.234
413 HE3 LYS 52 3HE LYS 52 -5.370 22.324 -0.811
414 HZ1 LYS 52 1HZ LYS 52 -6.607 20.342 0.646
415 HZ2 LYS 52 2HZ LYS 52 -6.704 19.824 -0.961
416 HZ3 LYS 52 3HZ LYS 52 -7.318 21.338 -0.522
417 H LEU 53 H LEU 53 -0.078 21.819 -3.810
418 HA LEU 53 HA LEU 53 0.378 21.284 -6.475
419 HB2 LEU 53 2HB LEU 53 0.539 23.513 -5.599
420 HB3 LEU 53 3HB LEU 53 1.912 23.063 -4.590
421 HG LEU 53 HG LEU 53 2.311 22.677 -7.479
422 HD11 LEU 53 1HD1 LEU 53 1.461 25.267 -6.361
423 HD12 LEU 53 2HD1 LEU 53 1.389 24.661 -8.016
424 HD13 LEU 53 3HD1 LEU 53 2.903 25.299 -7.376
425 HD21 LEU 53 1HD2 LEU 53 4.146 22.316 -6.023
426 HD22 LEU 53 2HD2 LEU 53 3.876 23.847 -5.189
427 HD23 LEU 53 3HD2 LEU 53 4.457 23.840 -6.855
428 H LEU 54 H LEU 54 2.231 20.306 -3.701
429 HA LEU 54 HA LEU 54 4.576 19.561 -5.181
430 HB2 LEU 54 2HB LEU 54 4.770 20.186 -2.858
431 HB3 LEU 54 3HB LEU 54 3.665 18.897 -2.386
432 HG LEU 54 HG LEU 54 6.216 18.605 -2.020
433 HD11 LEU 54 1HD1 LEU 54 4.888 16.326 -3.433
434 HD12 LEU 54 2HD1 LEU 54 4.287 16.901 -1.878
435 HD13 LEU 54 3HD1 LEU 54 5.940 16.302 -2.018
436 HD21 LEU 54 1HD2 LEU 54 6.136 17.529 -4.809
437 HD22 LEU 54 2HD2 LEU 54 7.527 17.917 -3.796
438 HD23 LEU 54 3HD2 LEU 54 6.572 19.213 -4.517
439 H GLU 55 H GLU 55 2.087 17.677 -3.449
440 HA GLU 55 HA GLU 55 2.916 15.173 -4.427
441 HB2 GLU 55 2HB GLU 55 1.299 15.796 -2.471
442 HB3 GLU 55 3HB GLU 55 0.058 15.729 -3.715
443 HG2 GLU 55 2HG GLU 55 1.243 13.397 -4.202
444 HG3 GLU 55 3HG GLU 55 1.643 13.554 -2.493
445 H CYS 56 H CYS 56 -0.045 16.952 -5.321
446 HA CYS 56 HA CYS 56 -1.203 17.096 -7.273
447 HB2 CYS 56 2HB CYS 56 1.307 17.610 -8.008
448 HB3 CYS 56 3HB CYS 56 1.095 16.102 -8.890
449 HG CYS 56 HG CYS 56 0.633 18.101 -10.716
450 H LEU 57 H LEU 57 -2.738 15.575 -7.299
451 HA LEU 57 HA LEU 57 -1.977 12.854 -8.136
452 HB2 LEU 57 2HB LEU 57 -2.832 12.892 -5.875
453 HB3 LEU 57 3HB LEU 57 -4.268 13.767 -6.403
454 HG LEU 57 HG LEU 57 -4.486 11.556 -7.924
455 HD11 LEU 57 1HD1 LEU 57 -3.987 9.880 -5.777
456 HD12 LEU 57 2HD1 LEU 57 -2.559 10.910 -5.864
457 HD13 LEU 57 3HD1 LEU 57 -3.061 9.978 -7.275
458 HD21 LEU 57 1HD2 LEU 57 -5.463 11.250 -5.151
459 HD22 LEU 57 2HD2 LEU 57 -6.333 11.145 -6.682
460 HD23 LEU 57 3HD2 LEU 57 -5.934 12.723 -6.000
461 H ASP 58 H ASP 58 -4.105 15.561 -8.651
462 HA ASP 58 HA ASP 58 -4.896 14.446 -11.214
463 HB2 ASP 58 2HB ASP 58 -6.671 14.508 -8.926
464 HB3 ASP 58 3HB ASP 58 -7.303 15.495 -10.241
465 H TYR 59 H TYR 59 -6.120 17.088 -9.164
466 HA TYR 59 HA TYR 59 -4.737 19.142 -10.529
467 HB2 TYR 59 2HB TYR 59 -6.604 18.232 -12.174
468 HB3 TYR 59 3HB TYR 59 -7.644 19.265 -11.200
469 HD1 TYR 59 HD1 TYR 59 -8.057 21.321 -12.140
470 HD2 TYR 59 HD2 TYR 59 -4.235 19.545 -12.725
471 HE1 TYR 59 HE1 TYR 59 -7.358 23.275 -13.459
472 HE2 TYR 59 HE2 TYR 59 -3.525 21.495 -14.045
473 HH TYR 59 HH TYR 59 -4.153 23.415 -14.977
474 H LEU 60 H LEU 60 -5.464 21.308 -9.864
475 HA LEU 60 HA LEU 60 -5.983 22.790 -8.219
476 HB2 LEU 60 2HB LEU 60 -8.250 22.245 -8.996
477 HB3 LEU 60 3HB LEU 60 -8.328 20.937 -7.817
478 HG LEU 60 HG LEU 60 -7.791 23.064 -6.211
479 HD11 LEU 60 1HD1 LEU 60 -8.131 24.432 -8.413
480 HD12 LEU 60 2HD1 LEU 60 -8.814 25.002 -6.891
481 HD13 LEU 60 3HD1 LEU 60 -9.841 24.179 -8.065
482 HD21 LEU 60 1HD2 LEU 60 -9.496 21.361 -5.848
483 HD22 LEU 60 2HD2 LEU 60 -10.501 22.083 -7.105
484 HD23 LEU 60 3HD2 LEU 60 -10.164 22.978 -5.622
Start of MODEL 14
1 H LEU 1 H LEU 1 4.511 2.655 1.480
2 HA LEU 1 HA LEU 1 6.513 4.164 2.806
3 HB2 LEU 1 2HB LEU 1 5.553 1.330 3.059
4 HB3 LEU 1 3HB LEU 1 6.878 1.955 4.040
5 HG LEU 1 HG LEU 1 5.011 3.820 4.558
6 HD11 LEU 1 1HD1 LEU 1 2.891 2.486 4.989
7 HD12 LEU 1 2HD1 LEU 1 3.538 1.299 3.858
8 HD13 LEU 1 3HD1 LEU 1 3.219 2.947 3.319
9 HD21 LEU 1 1HD2 LEU 1 4.394 1.947 6.440
10 HD22 LEU 1 2HD2 LEU 1 5.808 3.001 6.486
11 HD23 LEU 1 3HD2 LEU 1 5.949 1.363 5.845
12 H LYS 2 H LYS 2 6.581 1.796 0.281
13 HA LYS 2 HA LYS 2 9.503 2.046 0.174
14 HB2 LYS 2 2HB LYS 2 7.914 -0.516 0.046
15 HB3 LYS 2 3HB LYS 2 9.566 -0.392 -0.543
16 HG2 LYS 2 2HG LYS 2 10.448 -0.164 1.565
17 HG3 LYS 2 3HG LYS 2 8.946 0.473 2.240
18 HD2 LYS 2 2HD LYS 2 7.946 -1.811 1.874
19 HD3 LYS 2 3HD LYS 2 9.574 -2.378 1.492
20 HE2 LYS 2 2HE LYS 2 9.872 -0.982 3.871
21 HE3 LYS 2 3HE LYS 2 8.346 -1.843 4.065
22 HZ1 LYS 2 1HZ LYS 2 10.917 -2.866 4.309
23 HZ2 LYS 2 2HZ LYS 2 10.255 -3.567 2.920
24 HZ3 LYS 2 3HZ LYS 2 9.455 -3.712 4.404
25 H GLU 3 H GLU 3 9.347 3.468 -1.555
26 HA GLU 3 HA GLU 3 8.970 2.225 -4.123
27 HB2 GLU 3 2HB GLU 3 6.923 4.003 -2.976
28 HB3 GLU 3 3HB GLU 3 7.439 4.434 -4.601
29 HG2 GLU 3 2HG GLU 3 6.306 1.795 -3.707
30 HG3 GLU 3 3HG GLU 3 5.517 3.002 -4.721
31 H ASN 4 H ASN 4 9.287 3.971 -5.905
32 HA ASN 4 HA ASN 4 11.367 5.846 -4.988
33 HB2 ASN 4 2HB ASN 4 12.255 5.513 -7.406
34 HB3 ASN 4 3HB ASN 4 12.571 4.261 -6.208
35 HD21 ASN 4 1HD2 ASN 4 10.647 5.156 -8.978
36 HD22 ASN 4 2HD2 ASN 4 10.143 3.555 -9.390
37 H ASP 5 H ASP 5 8.793 6.719 -5.013
38 HA ASP 5 HA ASP 5 8.904 8.997 -6.629
39 HB2 ASP 5 2HB ASP 5 7.948 6.708 -8.018
40 HB3 ASP 5 3HB ASP 5 6.575 7.780 -7.754
41 H HIS 6 H HIS 6 6.179 6.848 -5.815
42 HA HIS 6 HA HIS 6 4.678 8.989 -4.668
43 HB2 HIS 6 2HB HIS 6 3.833 6.792 -5.777
44 HB3 HIS 6 3HB HIS 6 4.073 6.088 -4.181
45 HD1 HIS 6 HD1 HIS 6 1.868 5.924 -3.088
46 HD2 HIS 6 HD2 HIS 6 2.275 9.476 -5.204
47 HE1 HIS 6 HE1 HIS 6 -0.254 7.205 -2.665
48 H ALA 7 H ALA 7 6.940 6.667 -3.460
49 HA ALA 7 HA ALA 7 6.177 6.700 -0.734
50 HB1 ALA 7 1HB ALA 7 8.274 5.554 -2.323
51 HB2 ALA 7 2HB ALA 7 8.939 6.244 -0.842
52 HB3 ALA 7 3HB ALA 7 7.652 5.042 -0.754
53 H ARG 8 H ARG 8 8.572 8.568 -2.574
54 HA ARG 8 HA ARG 8 9.401 10.101 -0.301
55 HB2 ARG 8 2HB ARG 8 10.601 11.482 -1.998
56 HB3 ARG 8 3HB ARG 8 10.974 9.766 -2.087
57 HG2 ARG 8 2HG ARG 8 9.718 9.480 -4.046
58 HG3 ARG 8 3HG ARG 8 8.894 11.027 -3.841
59 HD2 ARG 8 2HD ARG 8 11.397 11.922 -3.962
60 HD3 ARG 8 3HD ARG 8 11.607 10.434 -4.885
61 HE ARG 8 HE ARG 8 9.367 11.714 -5.904
62 HH11 ARG 8 1HH1 ARG 8 12.869 13.286 -7.040
63 HH12 ARG 8 2HH1 ARG 8 12.783 12.314 -5.609
64 HH21 ARG 8 1HH2 ARG 8 10.981 13.672 -8.280
65 HH22 ARG 8 2HH2 ARG 8 9.466 12.992 -7.791
66 H PHE 9 H PHE 9 6.929 10.378 -2.713
67 HA PHE 9 HA PHE 9 6.456 13.179 -2.370
68 HB2 PHE 9 2HB PHE 9 5.348 10.999 -3.962
69 HB3 PHE 9 3HB PHE 9 4.109 12.103 -3.375
70 HD1 PHE 9 HD1 PHE 9 7.597 12.948 -4.280
71 HD2 PHE 9 HD2 PHE 9 3.484 13.191 -5.351
72 HE1 PHE 9 HE1 PHE 9 8.162 14.531 -6.078
73 HE2 PHE 9 HE2 PHE 9 4.043 14.773 -7.151
74 HZ PHE 9 HZ PHE 9 6.384 15.444 -7.517
75 H LEU 10 H LEU 10 5.048 10.215 -1.068
76 HA LEU 10 HA LEU 10 2.949 11.509 0.354
77 HB2 LEU 10 2HB LEU 10 3.484 8.944 -0.313
78 HB3 LEU 10 3HB LEU 10 3.958 8.940 1.384
79 HG LEU 10 HG LEU 10 1.276 10.000 0.597
80 HD11 LEU 10 1HD1 LEU 10 2.197 7.269 0.244
81 HD12 LEU 10 2HD1 LEU 10 0.705 8.040 -0.291
82 HD13 LEU 10 3HD1 LEU 10 0.823 7.387 1.343
83 HD21 LEU 10 1HD2 LEU 10 0.889 9.970 2.793
84 HD22 LEU 10 2HD2 LEU 10 2.628 9.742 2.984
85 HD23 LEU 10 3HD2 LEU 10 1.551 8.345 2.971
86 H GLN 11 H GLN 11 6.041 10.087 1.415
87 HA GLN 11 HA GLN 11 5.849 10.831 4.103
88 HB2 GLN 11 2HB GLN 11 7.649 9.422 2.599
89 HB3 GLN 11 3HB GLN 11 8.566 10.873 2.983
90 HG2 GLN 11 2HG GLN 11 8.576 10.438 5.238
91 HG3 GLN 11 3HG GLN 11 7.123 9.443 5.161
92 HE21 GLN 11 1HE2 GLN 11 7.312 7.327 4.206
93 HE22 GLN 11 2HE2 GLN 11 8.813 6.477 4.301
94 H THR 12 H THR 12 6.792 12.639 1.281
95 HA THR 12 HA THR 12 8.001 14.804 2.726
96 HB THR 12 HB THR 12 7.177 14.429 -0.141
97 HG1 THR 12 HG1 THR 12 9.470 14.730 -0.392
98 HG21 THR 12 1HG2 THR 12 6.677 16.707 0.127
99 HG22 THR 12 2HG2 THR 12 8.333 16.695 -0.480
100 HG23 THR 12 3HG2 THR 12 8.025 16.962 1.235
101 H ALA 13 H ALA 13 4.988 14.535 0.830
102 HA ALA 13 HA ALA 13 3.897 16.999 1.404
103 HB1 ALA 13 1HB ALA 13 2.375 16.134 0.041
104 HB2 ALA 13 2HB ALA 13 2.956 14.498 0.356
105 HB3 ALA 13 3HB ALA 13 1.733 15.217 1.404
106 H LYS 14 H LYS 14 3.639 14.006 3.293
107 HA LYS 14 HA LYS 14 1.958 15.112 5.301
108 HB2 LYS 14 2HB LYS 14 2.145 12.682 4.846
109 HB3 LYS 14 3HB LYS 14 3.790 12.711 5.469
110 HG2 LYS 14 2HG LYS 14 3.005 12.336 7.500
111 HG3 LYS 14 3HG LYS 14 2.143 13.876 7.440
112 HD2 LYS 14 2HD LYS 14 0.406 12.471 6.047
113 HD3 LYS 14 3HD LYS 14 1.154 11.116 6.896
114 HE2 LYS 14 2HE LYS 14 0.754 12.427 9.032
115 HE3 LYS 14 3HE LYS 14 -0.264 13.496 8.069
116 HZ1 LYS 14 1HZ LYS 14 -1.438 11.643 9.257
117 HZ2 LYS 14 2HZ LYS 14 -0.685 10.566 8.192
118 HZ3 LYS 14 3HZ LYS 14 -1.744 11.743 7.596
119 H ASN 15 H ASN 15 5.454 14.509 5.119
120 HA ASN 15 HA ASN 15 6.159 15.321 7.679
121 HB2 ASN 15 2HB ASN 15 7.797 14.250 6.304
122 HB3 ASN 15 3HB ASN 15 7.669 15.500 5.070
123 HD21 ASN 15 1HD2 ASN 15 8.291 15.286 8.560
124 HD22 ASN 15 2HD2 ASN 15 9.628 16.381 8.559
125 H ILE 16 H ILE 16 5.191 17.198 4.936
126 HA ILE 16 HA ILE 16 6.274 19.690 5.781
127 HB ILE 16 HB ILE 16 4.005 19.071 3.889
128 HG12 ILE 16 2HG1 ILE 16 6.641 20.180 3.043
129 HG13 ILE 16 3HG1 ILE 16 6.568 18.478 3.488
130 HG21 ILE 16 1HG2 ILE 16 3.469 21.230 4.235
131 HG22 ILE 16 2HG2 ILE 16 5.044 21.619 4.925
132 HG23 ILE 16 3HG2 ILE 16 4.844 21.537 3.175
133 HD11 ILE 16 1HD1 ILE 16 5.833 19.714 1.045
134 HD12 ILE 16 2HD1 ILE 16 5.813 18.002 1.471
135 HD13 ILE 16 3HD1 ILE 16 4.391 19.001 1.767
136 H THR 17 H THR 17 2.973 18.350 5.901
137 HA THR 17 HA THR 17 1.972 20.517 7.479
138 HB THR 17 HB THR 17 0.503 17.941 7.480
139 HG1 THR 17 HG1 THR 17 0.761 19.499 5.107
140 HG21 THR 17 1HG2 THR 17 -1.213 19.313 7.865
141 HG22 THR 17 2HG2 THR 17 -0.865 20.237 6.404
142 HG23 THR 17 3HG2 THR 17 -0.064 20.649 7.919
143 H GLU 18 H GLU 18 3.508 17.496 8.152
144 HA GLU 18 HA GLU 18 2.583 17.308 10.871
145 HB2 GLU 18 2HB GLU 18 3.171 15.291 9.612
146 HB3 GLU 18 3HB GLU 18 4.825 15.864 9.447
147 HG2 GLU 18 2HG GLU 18 5.268 14.680 11.268
148 HG3 GLU 18 3HG GLU 18 4.414 15.936 12.163
149 H ARG 19 H ARG 19 5.487 18.435 9.218
150 HA ARG 19 HA ARG 19 7.003 18.902 11.577
151 HB2 ARG 19 2HB ARG 19 7.977 18.628 9.295
152 HB3 ARG 19 3HB ARG 19 7.320 20.203 8.867
153 HG2 ARG 19 2HG ARG 19 8.723 20.726 11.171
154 HG3 ARG 19 3HG ARG 19 9.721 19.520 10.355
155 HD2 ARG 19 2HD ARG 19 9.446 20.951 8.265
156 HD3 ARG 19 3HD ARG 19 8.823 22.202 9.340
157 HE ARG 19 HE ARG 19 11.549 21.453 8.987
158 HH11 ARG 19 1HH1 ARG 19 10.456 23.437 12.288
159 HH12 ARG 19 2HH1 ARG 19 9.257 22.640 11.324
160 HH21 ARG 19 1HH2 ARG 19 12.662 23.357 11.675
161 HH22 ARG 19 2HH2 ARG 19 13.136 22.499 10.248
162 H VAL 20 H VAL 20 5.061 21.006 9.477
163 HA VAL 20 HA VAL 20 5.554 23.441 10.715
164 HB VAL 20 HB VAL 20 4.344 23.354 8.632
165 HG11 VAL 20 1HG1 VAL 20 1.990 22.190 10.104
166 HG12 VAL 20 2HG1 VAL 20 2.176 22.429 8.366
167 HG13 VAL 20 3HG1 VAL 20 3.143 21.211 9.198
168 HG21 VAL 20 1HG2 VAL 20 2.658 24.476 10.867
169 HG22 VAL 20 2HG2 VAL 20 3.945 25.309 9.996
170 HG23 VAL 20 3HG2 VAL 20 2.458 24.865 9.159
171 H SER 21 H SER 21 3.083 21.009 11.474
172 HA SER 21 HA SER 21 1.755 22.416 13.487
173 HB2 SER 21 2HB SER 21 1.979 19.583 12.666
174 HB3 SER 21 3HB SER 21 1.478 19.855 14.335
175 HG SER 21 HG SER 21 -0.043 19.955 12.236
176 H MET 22 H MET 22 4.299 19.940 13.849
177 HA MET 22 HA MET 22 4.618 20.188 16.610
178 HB2 MET 22 2HB MET 22 6.433 19.252 14.408
179 HB3 MET 22 3HB MET 22 7.009 19.333 16.068
180 HG2 MET 22 2HG MET 22 4.818 17.964 16.546
181 HG3 MET 22 3HG MET 22 4.984 17.538 14.844
182 HE1 MET 22 1HE MET 22 8.596 17.387 14.881
183 HE2 MET 22 2HE MET 22 8.229 15.694 14.550
184 HE3 MET 22 3HE MET 22 7.223 16.967 13.856
185 H ALA 23 H ALA 23 5.870 22.113 13.982
186 HA ALA 23 HA ALA 23 7.896 23.461 15.441
187 HB1 ALA 23 1HB ALA 23 8.373 24.011 13.340
188 HB2 ALA 23 2HB ALA 23 6.753 23.580 12.791
189 HB3 ALA 23 3HB ALA 23 7.068 25.194 13.430
190 H THR 24 H THR 24 4.616 24.476 14.474
191 HA THR 24 HA THR 24 4.568 26.947 15.723
192 HB THR 24 HB THR 24 2.055 25.378 15.855
193 HG1 THR 24 HG1 THR 24 2.489 24.556 13.930
194 HG21 THR 24 1HG2 THR 24 1.689 27.607 14.277
195 HG22 THR 24 2HG2 THR 24 2.941 28.120 15.408
196 HG23 THR 24 3HG2 THR 24 1.400 27.515 16.013
197 H ALA 25 H ALA 25 3.787 23.761 17.057
198 HA ALA 25 HA ALA 25 2.908 24.675 19.582
199 HB1 ALA 25 1HB ALA 25 4.127 22.060 19.701
200 HB2 ALA 25 2HB ALA 25 2.437 22.525 19.896
201 HB3 ALA 25 3HB ALA 25 3.088 22.221 18.285
202 H SER 26 H SER 26 6.027 23.249 18.595
203 HA SER 26 HA SER 26 7.303 23.665 21.075
204 HB2 SER 26 2HB SER 26 8.261 22.059 19.602
205 HB3 SER 26 3HB SER 26 8.375 23.228 18.286
206 HG SER 26 HG SER 26 9.930 23.038 20.630
207 H SER 27 H SER 27 6.408 25.839 18.648
208 HA SER 27 HA SER 27 8.470 27.786 19.376
209 HB2 SER 27 2HB SER 27 6.392 27.774 17.179
210 HB3 SER 27 3HB SER 27 7.469 29.133 17.499
211 HG SER 27 HG SER 27 8.515 26.550 17.108
212 H GLN 28 H GLN 28 5.167 27.017 19.922
213 HA GLN 28 HA GLN 28 4.894 29.421 21.570
214 HB2 GLN 28 2HB GLN 28 3.064 28.566 19.354
215 HB3 GLN 28 3HB GLN 28 2.422 29.439 20.739
216 HG2 GLN 28 2HG GLN 28 4.342 31.118 20.218
217 HG3 GLN 28 3HG GLN 28 4.307 30.363 18.625
218 HE21 GLN 28 1HE2 GLN 28 3.295 32.963 20.174
219 HE22 GLN 28 2HE2 GLN 28 1.795 33.267 19.374
220 H VAL 29 H VAL 29 2.552 26.929 20.632
221 HA VAL 29 HA VAL 29 2.828 25.273 22.869
222 HB VAL 29 HB VAL 29 2.121 27.164 24.207
223 HG11 VAL 29 1HG1 VAL 29 0.961 28.429 22.471
224 HG12 VAL 29 2HG1 VAL 29 -0.337 27.235 22.459
225 HG13 VAL 29 3HG1 VAL 29 -0.060 28.222 23.894
226 HG21 VAL 29 1HG2 VAL 29 -0.061 25.105 23.887
227 HG22 VAL 29 2HG2 VAL 29 1.360 24.979 24.925
228 HG23 VAL 29 3HG2 VAL 29 0.120 26.185 25.270
229 H LEU 30 H LEU 30 0.699 26.687 20.469
230 HA LEU 30 HA LEU 30 -0.798 25.760 19.028
231 HB2 LEU 30 2HB LEU 30 1.109 23.975 19.050
232 HB3 LEU 30 3HB LEU 30 -0.064 23.015 19.949
233 HG LEU 30 HG LEU 30 -1.477 23.895 17.732
234 HD11 LEU 30 1HD1 LEU 30 1.399 23.543 17.089
235 HD12 LEU 30 2HD1 LEU 30 0.191 24.595 16.351
236 HD13 LEU 30 3HD1 LEU 30 0.211 22.873 15.971
237 HD21 LEU 30 1HD2 LEU 30 -0.014 21.274 17.971
238 HD22 LEU 30 2HD2 LEU 30 -1.531 21.596 17.131
239 HD23 LEU 30 3HD2 LEU 30 -1.465 21.667 18.893
240 H ILE 31 H ILE 31 -2.200 26.699 20.833
241 HA ILE 31 HA ILE 31 -4.175 24.683 21.521
242 HB ILE 31 HB ILE 31 -4.348 25.449 23.871
243 HG12 ILE 31 2HG1 ILE 31 -1.822 26.461 24.423
244 HG13 ILE 31 3HG1 ILE 31 -2.288 27.297 22.946
245 HG21 ILE 31 1HG2 ILE 31 -3.180 23.389 23.359
246 HG22 ILE 31 2HG2 ILE 31 -1.685 24.279 23.079
247 HG23 ILE 31 3HG2 ILE 31 -2.384 24.218 24.697
248 HD11 ILE 31 1HD1 ILE 31 -2.889 28.230 25.338
249 HD12 ILE 31 2HD1 ILE 31 -3.972 28.432 23.960
250 HD13 ILE 31 3HD1 ILE 31 -4.275 27.157 25.140
251 HA PRO 32 HA PRO 32 -6.995 27.925 20.615
252 HB2 PRO 32 2HB PRO 32 -9.115 27.208 22.152
253 HB3 PRO 32 3HB PRO 32 -8.652 26.335 20.686
254 HG2 PRO 32 2HG PRO 32 -8.073 25.672 23.547
255 HG3 PRO 32 3HG PRO 32 -8.582 24.598 22.231
256 HD2 PRO 32 2HD PRO 32 -6.008 24.780 23.050
257 HD3 PRO 32 3HD PRO 32 -6.452 24.444 21.364
258 H GLU 33 H GLU 33 -7.491 29.940 21.317
259 HA GLU 33 HA GLU 33 -7.585 30.506 24.174
260 HB2 GLU 33 2HB GLU 33 -5.332 31.165 22.469
261 HB3 GLU 33 3HB GLU 33 -6.050 32.610 23.166
262 HG2 GLU 33 2HG GLU 33 -5.475 30.283 24.931
263 HG3 GLU 33 3HG GLU 33 -4.150 31.323 24.410
264 H ILE 34 H ILE 34 -7.178 32.568 21.307
265 HA ILE 34 HA ILE 34 -9.960 33.404 21.451
266 HB ILE 34 HB ILE 34 -7.704 35.383 21.794
267 HG12 ILE 34 2HG1 ILE 34 -9.939 34.562 23.662
268 HG13 ILE 34 3HG1 ILE 34 -8.233 34.177 23.860
269 HG21 ILE 34 1HG2 ILE 34 -9.455 36.267 20.362
270 HG22 ILE 34 2HG2 ILE 34 -10.676 35.827 21.554
271 HG23 ILE 34 3HG2 ILE 34 -9.483 37.069 21.932
272 HD11 ILE 34 1HD1 ILE 34 -7.747 36.579 24.070
273 HD12 ILE 34 2HD1 ILE 34 -9.475 36.914 23.957
274 HD13 ILE 34 3HD1 ILE 34 -8.844 35.988 25.318
275 H ASN 35 H ASN 35 -7.027 34.854 20.049
276 HA ASN 35 HA ASN 35 -8.270 34.570 17.396
277 HB2 ASN 35 2HB ASN 35 -7.678 36.894 18.402
278 HB3 ASN 35 3HB ASN 35 -6.019 36.467 17.994
279 HD21 ASN 35 1HD2 ASN 35 -5.414 37.372 16.178
280 HD22 ASN 35 2HD2 ASN 35 -6.387 37.587 14.767
281 H LEU 36 H LEU 36 -6.722 32.509 18.765
282 HA LEU 36 HA LEU 36 -4.223 32.425 17.257
283 HB2 LEU 36 2HB LEU 36 -4.231 31.845 19.655
284 HB3 LEU 36 3HB LEU 36 -5.314 30.500 19.304
285 HG LEU 36 HG LEU 36 -2.727 30.565 17.856
286 HD11 LEU 36 1HD1 LEU 36 -1.468 30.694 19.678
287 HD12 LEU 36 2HD1 LEU 36 -2.191 29.179 20.216
288 HD13 LEU 36 3HD1 LEU 36 -2.886 30.717 20.727
289 HD21 LEU 36 1HD2 LEU 36 -3.813 28.659 17.296
290 HD22 LEU 36 2HD2 LEU 36 -4.728 28.604 18.803
291 HD23 LEU 36 3HD2 LEU 36 -3.046 28.071 18.772
292 H ASN 37 H ASN 37 -7.297 30.730 17.551
293 HA ASN 37 HA ASN 37 -6.763 28.539 15.911
294 HB2 ASN 37 2HB ASN 37 -8.957 29.479 17.290
295 HB3 ASN 37 3HB ASN 37 -9.472 29.613 15.611
296 HD21 ASN 37 1HD2 ASN 37 -8.747 27.503 18.213
297 HD22 ASN 37 2HD2 ASN 37 -9.171 26.025 17.425
298 H ASP 38 H ASP 38 -7.151 31.853 15.122
299 HA ASP 38 HA ASP 38 -7.851 31.398 12.355
300 HB2 ASP 38 2HB ASP 38 -8.686 33.402 13.439
301 HB3 ASP 38 3HB ASP 38 -7.047 33.908 13.838
302 H THR 39 H THR 39 -5.023 32.740 14.062
303 HA THR 39 HA THR 39 -3.357 33.026 11.851
304 HB THR 39 HB THR 39 -1.911 32.175 14.240
305 HG1 THR 39 HG1 THR 39 -3.194 33.098 15.641
306 HG21 THR 39 1HG2 THR 39 -2.059 34.650 12.535
307 HG22 THR 39 2HG2 THR 39 -0.756 33.467 12.641
308 HG23 THR 39 3HG2 THR 39 -1.060 34.568 13.985
309 H PHE 40 H PHE 40 -3.626 30.280 14.101
310 HA PHE 40 HA PHE 40 -1.696 28.653 12.892
311 HB2 PHE 40 2HB PHE 40 -2.743 28.290 15.148
312 HB3 PHE 40 3HB PHE 40 -4.181 27.698 14.322
313 HD1 PHE 40 HD1 PHE 40 -0.585 27.105 13.585
314 HD2 PHE 40 HD2 PHE 40 -4.305 25.443 14.815
315 HE1 PHE 40 HE1 PHE 40 0.398 24.851 13.500
316 HE2 PHE 40 HE2 PHE 40 -3.328 23.187 14.733
317 HZ PHE 40 HZ PHE 40 -0.973 22.888 14.076
318 H ASP 41 H ASP 41 -5.162 28.977 12.288
319 HA ASP 41 HA ASP 41 -5.494 26.852 10.515
320 HB2 ASP 41 2HB ASP 41 -6.969 29.258 11.252
321 HB3 ASP 41 3HB ASP 41 -7.195 28.824 9.559
322 H THR 42 H THR 42 -5.030 30.288 9.667
323 HA THR 42 HA THR 42 -4.682 29.901 6.927
324 HB THR 42 HB THR 42 -4.887 32.103 8.418
325 HG1 THR 42 HG1 THR 42 -3.467 32.068 5.946
326 HG21 THR 42 1HG2 THR 42 -1.997 32.251 7.623
327 HG22 THR 42 2HG2 THR 42 -2.471 31.651 9.212
328 HG23 THR 42 3HG2 THR 42 -2.901 33.290 8.725
329 H PHE 43 H PHE 43 -2.514 29.364 9.561
330 HA PHE 43 HA PHE 43 -0.099 29.445 8.025
331 HB2 PHE 43 2HB PHE 43 -0.252 29.795 10.522
332 HB3 PHE 43 3HB PHE 43 -0.533 28.064 10.677
333 HD1 PHE 43 HD1 PHE 43 1.364 27.324 11.806
334 HD2 PHE 43 HD2 PHE 43 1.795 29.809 8.377
335 HE1 PHE 43 HE1 PHE 43 3.793 26.933 11.833
336 HE2 PHE 43 HE2 PHE 43 4.225 29.421 8.398
337 HZ PHE 43 HZ PHE 43 5.227 27.981 10.127
338 H ALA 44 H ALA 44 -1.984 26.786 9.469
339 HA ALA 44 HA ALA 44 -0.474 24.731 8.229
340 HB1 ALA 44 1HB ALA 44 -1.674 23.385 9.537
341 HB2 ALA 44 2HB ALA 44 -2.411 24.847 10.193
342 HB3 ALA 44 3HB ALA 44 -3.200 23.976 8.878
343 H LEU 45 H LEU 45 -3.624 26.191 7.465
344 HA LEU 45 HA LEU 45 -4.427 24.656 5.351
345 HB2 LEU 45 2HB LEU 45 -5.970 26.248 5.849
346 HB3 LEU 45 3HB LEU 45 -4.758 27.506 6.078
347 HG LEU 45 HG LEU 45 -4.561 27.788 3.673
348 HD11 LEU 45 1HD1 LEU 45 -4.952 25.902 2.507
349 HD12 LEU 45 2HD1 LEU 45 -6.602 26.522 2.454
350 HD13 LEU 45 3HD1 LEU 45 -6.153 25.311 3.655
351 HD21 LEU 45 1HD2 LEU 45 -6.620 28.874 3.291
352 HD22 LEU 45 2HD2 LEU 45 -6.353 28.952 5.033
353 HD23 LEU 45 3HD2 LEU 45 -7.487 27.777 4.367
354 H ASP 46 H ASP 46 -2.466 27.623 5.044
355 HA ASP 46 HA ASP 46 -1.946 27.521 2.346
356 HB2 ASP 46 2HB ASP 46 -1.129 29.120 4.396
357 HB3 ASP 46 3HB ASP 46 0.376 28.300 3.988
358 H PHE 47 H PHE 47 -0.016 26.040 4.945
359 HA PHE 47 HA PHE 47 1.948 24.883 3.345
360 HB2 PHE 47 2HB PHE 47 1.015 24.616 6.090
361 HB3 PHE 47 3HB PHE 47 1.598 23.088 5.438
362 HD1 PHE 47 HD1 PHE 47 3.844 23.594 3.876
363 HD2 PHE 47 HD2 PHE 47 2.581 25.692 7.358
364 HE1 PHE 47 HE1 PHE 47 6.164 24.302 4.287
365 HE2 PHE 47 HE2 PHE 47 4.899 26.404 7.774
366 HZ PHE 47 HZ PHE 47 6.694 25.710 6.237
367 H SER 48 H SER 48 -0.931 23.276 4.710
368 HA SER 48 HA SER 48 -0.679 20.843 3.435
369 HB2 SER 48 2HB SER 48 -2.416 21.660 5.196
370 HB3 SER 48 3HB SER 48 -3.388 22.095 3.790
371 HG SER 48 HG SER 48 -3.031 19.853 3.102
372 H ARG 49 H ARG 49 -2.278 23.781 2.259
373 HA ARG 49 HA ARG 49 -3.466 22.935 -0.034
374 HB2 ARG 49 2HB ARG 49 -3.319 25.303 0.873
375 HB3 ARG 49 3HB ARG 49 -1.768 25.426 0.052
376 HG2 ARG 49 2HG ARG 49 -3.159 24.659 -2.031
377 HG3 ARG 49 3HG ARG 49 -4.513 25.284 -1.087
378 HD2 ARG 49 2HD ARG 49 -3.591 27.453 -1.015
379 HD3 ARG 49 3HD ARG 49 -2.017 26.885 -1.571
380 HE ARG 49 HE ARG 49 -4.247 27.615 -3.194
381 HH11 ARG 49 1HH1 ARG 49 -1.310 25.374 -4.734
382 HH12 ARG 49 2HH1 ARG 49 -1.473 25.520 -3.015
383 HH21 ARG 49 1HH2 ARG 49 -2.771 26.462 -6.122
384 HH22 ARG 49 2HH2 ARG 49 -4.043 27.431 -5.458
385 H GLU 50 H GLU 50 -0.020 23.684 0.368
386 HA GLU 50 HA GLU 50 0.613 22.985 -2.348
387 HB2 GLU 50 2HB GLU 50 1.963 24.207 -0.111
388 HB3 GLU 50 3HB GLU 50 2.971 22.951 -0.816
389 HG2 GLU 50 2HG GLU 50 2.426 24.074 -3.064
390 HG3 GLU 50 3HG GLU 50 1.916 25.446 -2.082
391 H LYS 51 H LYS 51 0.697 21.406 0.779
392 HA LYS 51 HA LYS 51 2.282 19.189 0.086
393 HB2 LYS 51 2HB LYS 51 1.833 18.445 2.179
394 HB3 LYS 51 3HB LYS 51 1.195 20.070 2.391
395 HG2 LYS 51 2HG LYS 51 -0.551 18.866 3.203
396 HG3 LYS 51 3HG LYS 51 -1.019 18.940 1.503
397 HD2 LYS 51 2HD LYS 51 0.467 16.726 1.422
398 HD3 LYS 51 3HD LYS 51 -0.037 16.650 3.112
399 HE2 LYS 51 2HE LYS 51 -2.356 16.718 2.475
400 HE3 LYS 51 3HE LYS 51 -1.926 16.984 0.786
401 HZ1 LYS 51 1HZ LYS 51 -2.539 14.618 1.622
402 HZ2 LYS 51 2HZ LYS 51 -0.935 14.581 2.156
403 HZ3 LYS 51 3HZ LYS 51 -1.274 14.818 0.516
404 H LYS 52 H LYS 52 -1.051 19.953 -0.524
405 HA LYS 52 HA LYS 52 -1.838 17.273 -1.191
406 HB2 LYS 52 2HB LYS 52 -3.547 18.750 -0.405
407 HB3 LYS 52 3HB LYS 52 -3.139 19.963 -1.611
408 HG2 LYS 52 2HG LYS 52 -5.168 18.861 -2.253
409 HG3 LYS 52 3HG LYS 52 -3.886 18.405 -3.377
410 HD2 LYS 52 2HD LYS 52 -3.640 16.269 -2.354
411 HD3 LYS 52 3HD LYS 52 -4.671 16.732 -0.997
412 HE2 LYS 52 2HE LYS 52 -6.376 17.161 -3.023
413 HE3 LYS 52 3HE LYS 52 -5.391 15.885 -3.738
414 HZ1 LYS 52 1HZ LYS 52 -7.086 14.758 -2.650
415 HZ2 LYS 52 2HZ LYS 52 -7.054 15.778 -1.301
416 HZ3 LYS 52 3HZ LYS 52 -5.803 14.666 -1.550
417 H LEU 53 H LEU 53 -1.290 20.235 -3.098
418 HA LEU 53 HA LEU 53 -1.658 19.187 -5.626
419 HB2 LEU 53 2HB LEU 53 -1.376 21.555 -5.231
420 HB3 LEU 53 3HB LEU 53 0.290 21.300 -4.718
421 HG LEU 53 HG LEU 53 -0.464 20.477 -7.475
422 HD11 LEU 53 1HD1 LEU 53 -1.502 22.701 -7.171
423 HD12 LEU 53 2HD1 LEU 53 -0.182 22.706 -8.340
424 HD13 LEU 53 3HD1 LEU 53 0.076 23.344 -6.716
425 HD21 LEU 53 1HD2 LEU 53 1.941 21.238 -5.946
426 HD22 LEU 53 2HD2 LEU 53 1.892 21.763 -7.629
427 HD23 LEU 53 3HD2 LEU 53 1.739 20.050 -7.234
428 H LEU 54 H LEU 54 0.989 18.738 -3.435
429 HA LEU 54 HA LEU 54 2.894 17.837 -5.354
430 HB2 LEU 54 2HB LEU 54 3.643 18.669 -3.232
431 HB3 LEU 54 3HB LEU 54 2.696 17.456 -2.372
432 HG LEU 54 HG LEU 54 4.834 16.542 -4.237
433 HD11 LEU 54 1HD1 LEU 54 6.027 18.212 -3.034
434 HD12 LEU 54 2HD1 LEU 54 6.436 16.654 -2.316
435 HD13 LEU 54 3HD1 LEU 54 5.292 17.725 -1.506
436 HD21 LEU 54 1HD2 LEU 54 5.024 14.931 -2.183
437 HD22 LEU 54 2HD2 LEU 54 3.719 14.738 -3.354
438 HD23 LEU 54 3HD2 LEU 54 3.411 15.543 -1.814
439 H GLU 55 H GLU 55 1.071 16.038 -2.864
440 HA GLU 55 HA GLU 55 1.709 13.491 -3.880
441 HB2 GLU 55 2HB GLU 55 0.576 14.356 -1.597
442 HB3 GLU 55 3HB GLU 55 -0.867 13.825 -2.450
443 HG2 GLU 55 2HG GLU 55 0.892 11.742 -2.827
444 HG3 GLU 55 3HG GLU 55 1.226 12.270 -1.179
445 H CYS 56 H CYS 56 -1.301 15.381 -4.158
446 HA CYS 56 HA CYS 56 -2.063 13.686 -6.437
447 HB2 CYS 56 2HB CYS 56 -3.534 14.202 -4.239
448 HB3 CYS 56 3HB CYS 56 -4.043 15.548 -5.251
449 HG CYS 56 HG CYS 56 -5.482 14.203 -6.966
450 H LEU 57 H LEU 57 -2.663 14.592 -8.387
451 HA LEU 57 HA LEU 57 -1.741 17.339 -8.797
452 HB2 LEU 57 2HB LEU 57 -1.407 14.981 -10.237
453 HB3 LEU 57 3HB LEU 57 -2.551 15.927 -11.188
454 HG LEU 57 HG LEU 57 -0.524 17.722 -10.536
455 HD11 LEU 57 1HD1 LEU 57 0.978 16.029 -9.819
456 HD12 LEU 57 2HD1 LEU 57 1.482 16.514 -11.438
457 HD13 LEU 57 3HD1 LEU 57 0.593 15.009 -11.206
458 HD21 LEU 57 1HD2 LEU 57 -0.829 16.127 -13.076
459 HD22 LEU 57 2HD2 LEU 57 -0.095 17.721 -12.898
460 HD23 LEU 57 3HD2 LEU 57 -1.828 17.514 -12.640
461 H ASP 58 H ASP 58 -3.069 18.113 -11.018
462 HA ASP 58 HA ASP 58 -4.985 19.090 -11.759
463 HB2 ASP 58 2HB ASP 58 -5.672 16.561 -11.587
464 HB3 ASP 58 3HB ASP 58 -6.652 17.123 -10.234
465 H TYR 59 H TYR 59 -3.926 20.425 -9.743
466 HA TYR 59 HA TYR 59 -4.311 21.888 -8.042
467 HB2 TYR 59 2HB TYR 59 -6.451 22.078 -9.837
468 HB3 TYR 59 3HB TYR 59 -7.196 22.049 -8.243
469 HD1 TYR 59 HD1 TYR 59 -4.451 23.742 -10.124
470 HD2 TYR 59 HD2 TYR 59 -7.371 24.024 -7.041
471 HE1 TYR 59 HE1 TYR 59 -3.904 26.122 -9.832
472 HE2 TYR 59 HE2 TYR 59 -6.833 26.406 -6.742
473 HH TYR 59 HH TYR 59 -4.197 27.821 -7.636
474 H LEU 60 H LEU 60 -6.250 22.294 -6.215
475 HA LEU 60 HA LEU 60 -5.835 20.334 -4.307
476 HB2 LEU 60 2HB LEU 60 -8.021 22.377 -4.594
477 HB3 LEU 60 3HB LEU 60 -7.880 21.331 -3.183
478 HG LEU 60 HG LEU 60 -5.361 22.506 -3.481
479 HD11 LEU 60 1HD1 LEU 60 -6.018 24.224 -4.906
480 HD12 LEU 60 2HD1 LEU 60 -6.122 24.955 -3.304
481 HD13 LEU 60 3HD1 LEU 60 -7.587 24.407 -4.121
482 HD21 LEU 60 1HD2 LEU 60 -6.543 23.933 -1.496
483 HD22 LEU 60 2HD2 LEU 60 -5.891 22.305 -1.308
484 HD23 LEU 60 3HD2 LEU 60 -7.615 22.536 -1.601
Start of MODEL 15
1 H LEU 1 H LEU 1 13.729 -5.954 -4.512
2 HA LEU 1 HA LEU 1 12.154 -4.527 -5.434
3 HB2 LEU 1 2HB LEU 1 10.098 -6.101 -3.893
4 HB3 LEU 1 3HB LEU 1 9.781 -4.876 -5.120
5 HG LEU 1 HG LEU 1 11.087 -7.552 -5.611
6 HD11 LEU 1 1HD1 LEU 1 9.081 -8.373 -6.321
7 HD12 LEU 1 2HD1 LEU 1 8.442 -6.780 -6.723
8 HD13 LEU 1 3HD1 LEU 1 8.525 -7.297 -5.039
9 HD21 LEU 1 1HD2 LEU 1 11.203 -5.180 -7.101
10 HD22 LEU 1 2HD2 LEU 1 10.040 -6.218 -7.927
11 HD23 LEU 1 3HD2 LEU 1 11.676 -6.800 -7.615
12 H LYS 2 H LYS 2 11.652 -2.520 -4.710
13 HA LYS 2 HA LYS 2 10.683 -1.914 -2.132
14 HB2 LYS 2 2HB LYS 2 13.320 -2.576 -2.002
15 HB3 LYS 2 3HB LYS 2 13.426 -0.840 -2.268
16 HG2 LYS 2 2HG LYS 2 11.913 -0.506 -0.330
17 HG3 LYS 2 3HG LYS 2 11.983 -2.244 -0.030
18 HD2 LYS 2 2HD LYS 2 14.540 -1.912 -0.002
19 HD3 LYS 2 3HD LYS 2 14.166 -0.198 0.197
20 HE2 LYS 2 2HE LYS 2 14.419 -1.000 2.381
21 HE3 LYS 2 3HE LYS 2 12.674 -0.935 2.137
22 HZ1 LYS 2 1HZ LYS 2 12.785 -3.336 1.563
23 HZ2 LYS 2 2HZ LYS 2 13.196 -2.994 3.167
24 HZ3 LYS 2 3HZ LYS 2 14.409 -3.339 2.040
25 H GLU 3 H GLU 3 10.136 -1.193 -4.823
26 HA GLU 3 HA GLU 3 11.150 1.263 -5.641
27 HB2 GLU 3 2HB GLU 3 8.667 -0.273 -6.155
28 HB3 GLU 3 3HB GLU 3 8.619 1.440 -6.545
29 HG2 GLU 3 2HG GLU 3 10.806 -0.357 -7.534
30 HG3 GLU 3 3HG GLU 3 9.282 -0.163 -8.397
31 H ASN 4 H ASN 4 9.581 3.264 -5.811
32 HA ASN 4 HA ASN 4 7.911 3.825 -3.585
33 HB2 ASN 4 2HB ASN 4 10.540 3.957 -2.892
34 HB3 ASN 4 3HB ASN 4 10.252 5.613 -3.415
35 HD21 ASN 4 1HD2 ASN 4 9.258 3.105 -1.187
36 HD22 ASN 4 2HD2 ASN 4 8.532 4.159 -0.026
37 H ASP 5 H ASP 5 6.438 5.050 -4.542
38 HA ASP 5 HA ASP 5 7.326 7.352 -6.125
39 HB2 ASP 5 2HB ASP 5 5.692 5.070 -7.056
40 HB3 ASP 5 3HB ASP 5 5.094 6.666 -7.499
41 H HIS 6 H HIS 6 4.165 5.898 -5.375
42 HA HIS 6 HA HIS 6 3.017 8.422 -4.724
43 HB2 HIS 6 2HB HIS 6 1.778 6.421 -5.646
44 HB3 HIS 6 3HB HIS 6 1.900 5.700 -4.044
45 HD1 HIS 6 HD1 HIS 6 0.919 9.234 -5.064
46 HD2 HIS 6 HD2 HIS 6 -0.572 5.963 -2.983
47 HE1 HIS 6 HE1 HIS 6 -1.288 9.986 -4.124
48 H ALA 7 H ALA 7 4.661 5.972 -2.922
49 HA ALA 7 HA ALA 7 3.659 6.581 -0.346
50 HB1 ALA 7 1HB ALA 7 5.525 5.306 0.501
51 HB2 ALA 7 2HB ALA 7 4.844 4.489 -0.906
52 HB3 ALA 7 3HB ALA 7 6.343 5.406 -1.059
53 H ARG 8 H ARG 8 6.756 7.468 -1.886
54 HA ARG 8 HA ARG 8 7.648 9.183 0.126
55 HB2 ARG 8 2HB ARG 8 9.177 8.431 -1.560
56 HB3 ARG 8 3HB ARG 8 8.211 9.155 -2.838
57 HG2 ARG 8 2HG ARG 8 9.123 11.179 -2.554
58 HG3 ARG 8 3HG ARG 8 9.122 11.043 -0.795
59 HD2 ARG 8 2HD ARG 8 11.159 9.906 -0.763
60 HD3 ARG 8 3HD ARG 8 11.041 9.460 -2.464
61 HE ARG 8 HE ARG 8 12.170 11.846 -1.400
62 HH11 ARG 8 1HH1 ARG 8 11.005 11.757 -5.229
63 HH12 ARG 8 2HH1 ARG 8 10.417 10.562 -4.120
64 HH21 ARG 8 1HH2 ARG 8 12.446 13.384 -4.505
65 HH22 ARG 8 2HH2 ARG 8 12.950 13.424 -2.849
66 H PHE 9 H PHE 9 5.720 9.863 -2.768
67 HA PHE 9 HA PHE 9 5.618 12.637 -2.570
68 HB2 PHE 9 2HB PHE 9 4.023 10.542 -3.893
69 HB3 PHE 9 3HB PHE 9 3.155 12.042 -3.580
70 HD1 PHE 9 HD1 PHE 9 4.892 14.169 -4.073
71 HD2 PHE 9 HD2 PHE 9 4.771 10.400 -6.046
72 HE1 PHE 9 HE1 PHE 9 5.924 15.182 -6.064
73 HE2 PHE 9 HE2 PHE 9 5.804 11.406 -8.039
74 HZ PHE 9 HZ PHE 9 6.383 13.800 -8.050
75 H LEU 10 H LEU 10 3.443 10.203 -1.168
76 HA LEU 10 HA LEU 10 1.745 12.084 0.110
77 HB2 LEU 10 2HB LEU 10 1.664 9.393 -0.373
78 HB3 LEU 10 3HB LEU 10 1.949 9.448 1.366
79 HG LEU 10 HG LEU 10 -0.214 11.194 0.403
80 HD11 LEU 10 1HD1 LEU 10 -1.171 9.655 -0.903
81 HD12 LEU 10 2HD1 LEU 10 -1.560 8.822 0.601
82 HD13 LEU 10 3HD1 LEU 10 -0.123 8.366 -0.313
83 HD21 LEU 10 1HD2 LEU 10 0.137 9.216 2.648
84 HD22 LEU 10 2HD2 LEU 10 -1.333 10.152 2.379
85 HD23 LEU 10 3HD2 LEU 10 0.182 10.976 2.749
86 H GLN 11 H GLN 11 4.422 10.065 1.289
87 HA GLN 11 HA GLN 11 4.361 10.770 3.965
88 HB2 GLN 11 2HB GLN 11 5.925 9.148 2.529
89 HB3 GLN 11 3HB GLN 11 7.028 10.510 2.675
90 HG2 GLN 11 2HG GLN 11 7.425 10.122 4.841
91 HG3 GLN 11 3HG GLN 11 5.743 9.720 5.183
92 HE21 GLN 11 1HE2 GLN 11 5.128 7.627 5.254
93 HE22 GLN 11 2HE2 GLN 11 6.199 6.291 5.023
94 H THR 12 H THR 12 5.447 12.599 1.220
95 HA THR 12 HA THR 12 6.935 14.538 2.715
96 HB THR 12 HB THR 12 5.854 14.622 -0.107
97 HG1 THR 12 HG1 THR 12 7.625 13.564 -0.549
98 HG21 THR 12 1HG2 THR 12 7.286 16.634 1.531
99 HG22 THR 12 2HG2 THR 12 6.160 16.856 0.191
100 HG23 THR 12 3HG2 THR 12 7.838 16.420 -0.130
101 H ALA 13 H ALA 13 3.846 14.732 0.935
102 HA ALA 13 HA ALA 13 3.067 17.257 1.721
103 HB1 ALA 13 1HB ALA 13 1.562 16.554 0.215
104 HB2 ALA 13 2HB ALA 13 1.708 14.867 0.707
105 HB3 ALA 13 3HB ALA 13 0.675 15.965 1.622
106 H LYS 14 H LYS 14 2.797 14.220 3.474
107 HA LYS 14 HA LYS 14 1.205 15.321 5.594
108 HB2 LYS 14 2HB LYS 14 1.658 12.794 4.741
109 HB3 LYS 14 3HB LYS 14 2.776 12.865 6.097
110 HG2 LYS 14 2HG LYS 14 1.071 13.196 7.645
111 HG3 LYS 14 3HG LYS 14 -0.081 13.705 6.408
112 HD2 LYS 14 2HD LYS 14 -0.825 11.575 6.776
113 HD3 LYS 14 3HD LYS 14 0.355 11.259 5.502
114 HE2 LYS 14 2HE LYS 14 1.067 11.135 8.420
115 HE3 LYS 14 3HE LYS 14 0.417 9.745 7.552
116 HZ1 LYS 14 1HZ LYS 14 2.470 9.317 6.885
117 HZ2 LYS 14 2HZ LYS 14 3.061 10.742 7.577
118 HZ3 LYS 14 3HZ LYS 14 2.468 10.755 5.993
119 H ASN 15 H ASN 15 4.617 14.413 5.215
120 HA ASN 15 HA ASN 15 5.478 15.007 7.798
121 HB2 ASN 15 2HB ASN 15 6.961 13.822 6.363
122 HB3 ASN 15 3HB ASN 15 6.910 15.092 5.144
123 HD21 ASN 15 1HD2 ASN 15 8.093 16.974 5.454
124 HD22 ASN 15 2HD2 ASN 15 9.359 17.080 6.625
125 H ILE 16 H ILE 16 4.552 17.094 5.223
126 HA ILE 16 HA ILE 16 5.956 19.416 6.155
127 HB ILE 16 HB ILE 16 3.636 19.180 4.235
128 HG12 ILE 16 2HG1 ILE 16 6.396 19.884 3.374
129 HG13 ILE 16 3HG1 ILE 16 6.095 18.207 3.818
130 HG21 ILE 16 1HG2 ILE 16 4.383 21.462 3.509
131 HG22 ILE 16 2HG2 ILE 16 3.641 21.394 5.107
132 HG23 ILE 16 3HG2 ILE 16 5.393 21.517 4.954
133 HD11 ILE 16 1HD1 ILE 16 5.296 17.862 1.790
134 HD12 ILE 16 2HD1 ILE 16 3.981 18.984 2.140
135 HD13 ILE 16 3HD1 ILE 16 5.468 19.572 1.397
136 H THR 17 H THR 17 2.493 18.555 6.067
137 HA THR 17 HA THR 17 1.731 20.698 7.782
138 HB THR 17 HB THR 17 -0.068 18.358 7.628
139 HG1 THR 17 HG1 THR 17 1.009 19.625 5.359
140 HG21 THR 17 1HG2 THR 17 -0.408 21.292 6.993
141 HG22 THR 17 2HG2 THR 17 -0.791 20.517 8.530
142 HG23 THR 17 3HG2 THR 17 -1.702 20.099 7.079
143 H GLU 18 H GLU 18 3.058 17.608 8.339
144 HA GLU 18 HA GLU 18 1.954 17.289 10.992
145 HB2 GLU 18 2HB GLU 18 2.465 15.327 9.589
146 HB3 GLU 18 3HB GLU 18 4.167 15.766 9.604
147 HG2 GLU 18 2HG GLU 18 3.893 14.043 11.189
148 HG3 GLU 18 3HG GLU 18 4.106 15.538 12.099
149 H ARG 19 H ARG 19 5.007 18.282 9.532
150 HA ARG 19 HA ARG 19 6.450 18.483 11.971
151 HB2 ARG 19 2HB ARG 19 7.400 18.319 9.608
152 HB3 ARG 19 3HB ARG 19 7.036 20.033 9.454
153 HG2 ARG 19 2HG ARG 19 8.427 19.816 11.853
154 HG3 ARG 19 3HG ARG 19 9.262 18.732 10.738
155 HD2 ARG 19 2HD ARG 19 9.378 20.577 9.096
156 HD3 ARG 19 3HD ARG 19 8.633 21.647 10.283
157 HE ARG 19 HE ARG 19 10.968 20.397 11.323
158 HH11 ARG 19 1HH1 ARG 19 11.296 23.924 9.458
159 HH12 ARG 19 2HH1 ARG 19 9.878 22.956 9.229
160 HH21 ARG 19 1HH2 ARG 19 12.981 23.187 10.824
161 HH22 ARG 19 2HH2 ARG 19 12.840 21.663 11.632
162 H VAL 20 H VAL 20 4.395 20.664 10.163
163 HA VAL 20 HA VAL 20 5.123 23.016 11.623
164 HB VAL 20 HB VAL 20 4.201 23.196 9.370
165 HG11 VAL 20 1HG1 VAL 20 2.687 21.268 9.468
166 HG12 VAL 20 2HG1 VAL 20 1.632 22.159 10.567
167 HG13 VAL 20 3HG1 VAL 20 1.860 22.722 8.910
168 HG21 VAL 20 1HG2 VAL 20 3.303 24.645 11.661
169 HG22 VAL 20 2HG2 VAL 20 3.573 25.226 10.018
170 HG23 VAL 20 3HG2 VAL 20 2.000 24.574 10.475
171 H SER 21 H SER 21 2.614 20.568 11.895
172 HA SER 21 HA SER 21 1.018 21.904 13.808
173 HB2 SER 21 2HB SER 21 0.192 19.995 12.491
174 HB3 SER 21 3HB SER 21 1.327 18.930 13.320
175 HG SER 21 HG SER 21 -1.046 19.301 14.080
176 H MET 22 H MET 22 3.926 20.006 14.041
177 HA MET 22 HA MET 22 3.730 19.863 16.950
178 HB2 MET 22 2HB MET 22 5.121 18.370 14.886
179 HB3 MET 22 3HB MET 22 6.211 18.845 16.182
180 HG2 MET 22 2HG MET 22 4.593 17.857 17.801
181 HG3 MET 22 3HG MET 22 3.680 17.243 16.425
182 HE1 MET 22 1HE MET 22 5.494 14.691 14.791
183 HE2 MET 22 2HE MET 22 5.004 16.354 14.467
184 HE3 MET 22 3HE MET 22 6.717 15.940 14.553
185 H ALA 23 H ALA 23 5.768 21.276 14.425
186 HA ALA 23 HA ALA 23 7.715 22.428 16.066
187 HB1 ALA 23 1HB ALA 23 8.059 22.287 13.700
188 HB2 ALA 23 2HB ALA 23 6.662 23.318 13.386
189 HB3 ALA 23 3HB ALA 23 8.096 23.988 14.165
190 H THR 24 H THR 24 4.543 23.604 15.070
191 HA THR 24 HA THR 24 4.915 26.164 16.361
192 HB THR 24 HB THR 24 2.257 25.117 15.432
193 HG1 THR 24 HG1 THR 24 4.498 25.813 13.890
194 HG21 THR 24 1HG2 THR 24 1.655 27.342 15.237
195 HG22 THR 24 2HG2 THR 24 3.323 27.885 15.048
196 HG23 THR 24 3HG2 THR 24 2.731 27.389 16.633
197 H ALA 25 H ALA 25 3.368 23.097 17.057
198 HA ALA 25 HA ALA 25 2.018 24.085 19.409
199 HB1 ALA 25 1HB ALA 25 1.020 22.298 18.083
200 HB2 ALA 25 2HB ALA 25 2.403 21.259 18.430
201 HB3 ALA 25 3HB ALA 25 1.330 21.764 19.735
202 H SER 26 H SER 26 5.167 23.413 18.752
203 HA SER 26 HA SER 26 5.708 22.607 21.536
204 HB2 SER 26 2HB SER 26 7.236 21.914 19.019
205 HB3 SER 26 3HB SER 26 7.845 21.616 20.647
206 HG SER 26 HG SER 26 6.815 19.770 19.852
207 H SER 27 H SER 27 6.003 25.022 19.232
208 HA SER 27 HA SER 27 8.409 26.171 20.448
209 HB2 SER 27 2HB SER 27 6.887 26.794 17.919
210 HB3 SER 27 3HB SER 27 8.126 27.876 18.555
211 HG SER 27 HG SER 27 9.123 26.504 17.130
212 H GLN 28 H GLN 28 4.979 26.536 20.300
213 HA GLN 28 HA GLN 28 5.187 29.023 21.867
214 HB2 GLN 28 2HB GLN 28 3.316 28.211 19.696
215 HB3 GLN 28 3HB GLN 28 2.679 29.205 20.999
216 HG2 GLN 28 2HG GLN 28 3.947 31.020 20.426
217 HG3 GLN 28 3HG GLN 28 5.203 30.041 19.669
218 HE21 GLN 28 1HE2 GLN 28 1.884 31.166 19.291
219 HE22 GLN 28 2HE2 GLN 28 1.882 31.145 17.564
220 H VAL 29 H VAL 29 2.425 26.892 21.269
221 HA VAL 29 HA VAL 29 2.446 25.450 23.645
222 HB VAL 29 HB VAL 29 2.250 27.468 24.898
223 HG11 VAL 29 1HG1 VAL 29 0.056 28.185 22.966
224 HG12 VAL 29 2HG1 VAL 29 0.311 29.027 24.495
225 HG13 VAL 29 3HG1 VAL 29 1.569 29.042 23.259
226 HG21 VAL 29 1HG2 VAL 29 0.328 27.031 26.162
227 HG22 VAL 29 2HG2 VAL 29 -0.582 26.480 24.755
228 HG23 VAL 29 3HG2 VAL 29 0.715 25.482 25.413
229 H LEU 30 H LEU 30 0.597 27.044 21.152
230 HA LEU 30 HA LEU 30 -1.105 26.303 19.831
231 HB2 LEU 30 2HB LEU 30 0.225 24.082 20.235
232 HB3 LEU 30 3HB LEU 30 -1.166 23.671 21.236
233 HG LEU 30 HG LEU 30 -2.614 24.047 19.227
234 HD11 LEU 30 1HD1 LEU 30 -1.790 24.920 17.366
235 HD12 LEU 30 2HD1 LEU 30 -0.581 23.642 17.260
236 HD13 LEU 30 3HD1 LEU 30 -0.233 25.111 18.171
237 HD21 LEU 30 1HD2 LEU 30 -0.681 21.885 19.653
238 HD22 LEU 30 2HD2 LEU 30 -1.352 21.958 18.024
239 HD23 LEU 30 3HD2 LEU 30 -2.427 21.819 19.416
240 H ILE 31 H ILE 31 -2.399 27.834 21.020
241 HA ILE 31 HA ILE 31 -4.626 26.525 22.361
242 HB ILE 31 HB ILE 31 -4.628 28.322 24.147
243 HG12 ILE 31 2HG1 ILE 31 -1.761 28.641 24.172
244 HG13 ILE 31 3HG1 ILE 31 -2.422 29.242 22.655
245 HG21 ILE 31 1HG2 ILE 31 -4.096 26.060 24.717
246 HG22 ILE 31 2HG2 ILE 31 -2.454 26.238 24.102
247 HG23 ILE 31 3HG2 ILE 31 -2.954 27.116 25.547
248 HD11 ILE 31 1HD1 ILE 31 -2.367 31.070 24.134
249 HD12 ILE 31 2HD1 ILE 31 -4.056 30.569 24.043
250 HD13 ILE 31 3HD1 ILE 31 -3.079 30.129 25.444
251 HA PRO 32 HA PRO 32 -5.925 29.811 19.391
252 HB2 PRO 32 2HB PRO 32 -7.973 28.363 18.354
253 HB3 PRO 32 3HB PRO 32 -6.311 28.230 17.769
254 HG2 PRO 32 2HG PRO 32 -7.798 26.456 19.667
255 HG3 PRO 32 3HG PRO 32 -6.721 26.011 18.331
256 HD2 PRO 32 2HD PRO 32 -5.915 26.007 20.915
257 HD3 PRO 32 3HD PRO 32 -4.817 26.389 19.573
258 H GLU 33 H GLU 33 -6.574 30.989 21.310
259 HA GLU 33 HA GLU 33 -9.121 30.360 22.525
260 HB2 GLU 33 2HB GLU 33 -7.401 31.267 23.949
261 HB3 GLU 33 3HB GLU 33 -7.204 32.664 22.900
262 HG2 GLU 33 2HG GLU 33 -9.533 33.329 23.446
263 HG3 GLU 33 3HG GLU 33 -9.592 32.002 24.605
264 H ILE 34 H ILE 34 -7.800 32.971 20.508
265 HA ILE 34 HA ILE 34 -10.276 33.318 19.136
266 HB ILE 34 HB ILE 34 -10.924 34.513 21.133
267 HG12 ILE 34 2HG1 ILE 34 -10.284 36.829 19.406
268 HG13 ILE 34 3HG1 ILE 34 -11.106 35.490 18.613
269 HG21 ILE 34 1HG2 ILE 34 -9.695 36.349 22.050
270 HG22 ILE 34 2HG2 ILE 34 -8.598 34.977 21.903
271 HG23 ILE 34 3HG2 ILE 34 -8.527 36.292 20.730
272 HD11 ILE 34 1HD1 ILE 34 -12.753 37.031 19.354
273 HD12 ILE 34 2HD1 ILE 34 -12.844 35.611 20.397
274 HD13 ILE 34 3HD1 ILE 34 -12.061 37.081 20.976
275 H ASN 35 H ASN 35 -7.130 34.669 19.990
276 HA ASN 35 HA ASN 35 -6.925 35.875 17.323
277 HB2 ASN 35 2HB ASN 35 -5.866 36.541 19.962
278 HB3 ASN 35 3HB ASN 35 -4.629 36.568 18.709
279 HD21 ASN 35 1HD2 ASN 35 -7.749 37.856 19.663
280 HD22 ASN 35 2HD2 ASN 35 -7.648 39.303 18.723
281 H LEU 36 H LEU 36 -5.265 33.654 19.518
282 HA LEU 36 HA LEU 36 -3.022 33.072 18.000
283 HB2 LEU 36 2HB LEU 36 -3.322 32.289 20.279
284 HB3 LEU 36 3HB LEU 36 -4.633 31.232 19.762
285 HG LEU 36 HG LEU 36 -2.269 30.250 20.219
286 HD11 LEU 36 1HD1 LEU 36 -3.522 28.574 19.445
287 HD12 LEU 36 2HD1 LEU 36 -2.770 28.902 17.884
288 HD13 LEU 36 3HD1 LEU 36 -4.340 29.606 18.272
289 HD21 LEU 36 1HD2 LEU 36 -1.391 32.050 18.491
290 HD22 LEU 36 2HD2 LEU 36 -1.796 30.781 17.334
291 HD23 LEU 36 3HD2 LEU 36 -0.645 30.458 18.632
292 H ASN 37 H ASN 37 -6.248 31.609 17.858
293 HA ASN 37 HA ASN 37 -5.776 29.579 16.046
294 HB2 ASN 37 2HB ASN 37 -7.936 30.090 17.272
295 HB3 ASN 37 3HB ASN 37 -8.261 31.295 16.030
296 HD21 ASN 37 1HD2 ASN 37 -6.938 28.006 15.936
297 HD22 ASN 37 2HD2 ASN 37 -8.083 27.396 14.794
298 H ASP 38 H ASP 38 -6.637 32.959 15.359
299 HA ASP 38 HA ASP 38 -6.742 32.807 12.587
300 HB2 ASP 38 2HB ASP 38 -6.190 34.992 14.541
301 HB3 ASP 38 3HB ASP 38 -5.855 35.299 12.839
302 H THR 39 H THR 39 -3.997 32.892 14.728
303 HA THR 39 HA THR 39 -2.082 33.481 12.662
304 HB THR 39 HB THR 39 -0.886 32.230 14.965
305 HG1 THR 39 HG1 THR 39 -2.302 34.540 15.711
306 HG21 THR 39 1HG2 THR 39 0.538 33.716 14.013
307 HG22 THR 39 2HG2 THR 39 -0.220 34.834 15.147
308 HG23 THR 39 3HG2 THR 39 -0.762 34.775 13.470
309 H PHE 40 H PHE 40 -2.792 30.603 14.646
310 HA PHE 40 HA PHE 40 -1.037 28.860 13.348
311 HB2 PHE 40 2HB PHE 40 -2.306 28.498 15.537
312 HB3 PHE 40 3HB PHE 40 -3.674 28.012 14.540
313 HD1 PHE 40 HD1 PHE 40 -0.044 27.315 14.127
314 HD2 PHE 40 HD2 PHE 40 -3.925 25.739 14.883
315 HE1 PHE 40 HE1 PHE 40 0.863 25.031 14.005
316 HE2 PHE 40 HE2 PHE 40 -3.024 23.453 14.763
317 HZ PHE 40 HZ PHE 40 -0.627 23.096 14.325
318 H ASP 41 H ASP 41 -4.415 29.650 12.673
319 HA ASP 41 HA ASP 41 -4.917 27.742 10.702
320 HB2 ASP 41 2HB ASP 41 -6.450 29.573 11.860
321 HB3 ASP 41 3HB ASP 41 -6.070 30.477 10.397
322 H THR 42 H THR 42 -4.081 31.170 10.163
323 HA THR 42 HA THR 42 -3.668 31.008 7.424
324 HB THR 42 HB THR 42 -3.610 33.054 9.147
325 HG1 THR 42 HG1 THR 42 -3.538 34.077 7.297
326 HG21 THR 42 1HG2 THR 42 -1.469 33.948 9.520
327 HG22 THR 42 2HG2 THR 42 -0.713 32.844 8.370
328 HG23 THR 42 3HG2 THR 42 -1.307 32.238 9.916
329 H PHE 43 H PHE 43 -1.643 29.970 10.035
330 HA PHE 43 HA PHE 43 0.786 29.846 8.521
331 HB2 PHE 43 2HB PHE 43 0.594 30.021 11.055
332 HB3 PHE 43 3HB PHE 43 0.173 28.311 11.045
333 HD1 PHE 43 HD1 PHE 43 1.974 27.266 12.065
334 HD2 PHE 43 HD2 PHE 43 2.682 30.118 8.987
335 HE1 PHE 43 HE1 PHE 43 4.363 26.678 12.075
336 HE2 PHE 43 HE2 PHE 43 5.072 29.534 8.990
337 HZ PHE 43 HZ PHE 43 5.915 27.812 10.535
338 H ALA 44 H ALA 44 -1.556 27.422 9.658
339 HA ALA 44 HA ALA 44 -0.288 25.226 8.387
340 HB1 ALA 44 1HB ALA 44 -1.665 24.246 9.836
341 HB2 ALA 44 2HB ALA 44 -2.679 25.684 9.959
342 HB3 ALA 44 3HB ALA 44 -2.951 24.522 8.660
343 H LEU 45 H LEU 45 -3.085 27.231 7.492
344 HA LEU 45 HA LEU 45 -3.917 25.975 5.206
345 HB2 LEU 45 2HB LEU 45 -4.668 28.199 6.407
346 HB3 LEU 45 3HB LEU 45 -3.677 28.943 5.153
347 HG LEU 45 HG LEU 45 -5.896 28.991 4.357
348 HD11 LEU 45 1HD1 LEU 45 -4.150 28.211 2.755
349 HD12 LEU 45 2HD1 LEU 45 -5.789 27.702 2.352
350 HD13 LEU 45 3HD1 LEU 45 -4.666 26.556 3.082
351 HD21 LEU 45 1HD2 LEU 45 -6.415 26.951 6.030
352 HD22 LEU 45 2HD2 LEU 45 -6.381 26.084 4.494
353 HD23 LEU 45 3HD2 LEU 45 -7.492 27.436 4.720
354 H ASP 46 H ASP 46 -1.588 28.681 5.246
355 HA ASP 46 HA ASP 46 -0.832 28.652 2.611
356 HB2 ASP 46 2HB ASP 46 0.025 29.963 4.870
357 HB3 ASP 46 3HB ASP 46 1.443 29.017 4.426
358 H PHE 47 H PHE 47 0.545 26.707 5.245
359 HA PHE 47 HA PHE 47 2.545 25.421 3.804
360 HB2 PHE 47 2HB PHE 47 1.159 25.016 6.339
361 HB3 PHE 47 3HB PHE 47 1.652 23.499 5.593
362 HD1 PHE 47 HD1 PHE 47 4.150 23.652 4.566
363 HD2 PHE 47 HD2 PHE 47 2.632 25.931 7.825
364 HE1 PHE 47 HE1 PHE 47 6.443 23.989 5.394
365 HE2 PHE 47 HE2 PHE 47 4.922 26.273 8.657
366 HZ PHE 47 HZ PHE 47 6.831 25.302 7.441
367 H SER 48 H SER 48 -0.787 24.323 4.416
368 HA SER 48 HA SER 48 -0.721 21.932 3.040
369 HB2 SER 48 2HB SER 48 -2.630 22.709 4.419
370 HB3 SER 48 3HB SER 48 -3.051 23.863 3.154
371 HG SER 48 HG SER 48 -3.975 22.311 2.090
372 H ARG 49 H ARG 49 -1.433 25.170 1.775
373 HA ARG 49 HA ARG 49 -2.148 24.612 -0.801
374 HB2 ARG 49 2HB ARG 49 -1.808 26.887 0.406
375 HB3 ARG 49 3HB ARG 49 -0.178 26.809 -0.251
376 HG2 ARG 49 2HG ARG 49 -1.600 26.300 -2.475
377 HG3 ARG 49 3HG ARG 49 -2.744 27.318 -1.598
378 HD2 ARG 49 2HD ARG 49 -1.304 29.140 -1.584
379 HD3 ARG 49 3HD ARG 49 0.121 28.139 -1.860
380 HE ARG 49 HE ARG 49 -1.631 27.987 -4.074
381 HH11 ARG 49 1HH1 ARG 49 1.048 30.960 -3.979
382 HH12 ARG 49 2HH1 ARG 49 0.635 30.124 -2.519
383 HH21 ARG 49 1HH2 ARG 49 0.063 30.366 -5.960
384 HH22 ARG 49 2HH2 ARG 49 -1.095 29.080 -6.003
385 H GLU 50 H GLU 50 1.134 24.726 0.520
386 HA GLU 50 HA GLU 50 2.352 24.125 -2.018
387 HB2 GLU 50 2HB GLU 50 3.231 24.956 0.598
388 HB3 GLU 50 3HB GLU 50 4.189 23.589 0.047
389 HG2 GLU 50 2HG GLU 50 3.987 25.312 -2.148
390 HG3 GLU 50 3HG GLU 50 4.309 26.337 -0.752
391 H LYS 51 H LYS 51 1.281 22.349 0.786
392 HA LYS 51 HA LYS 51 2.680 19.954 0.389
393 HB2 LYS 51 2HB LYS 51 1.411 19.129 2.085
394 HB3 LYS 51 3HB LYS 51 1.013 20.829 2.298
395 HG2 LYS 51 2HG LYS 51 -1.082 19.967 2.316
396 HG3 LYS 51 3HG LYS 51 -0.905 20.208 0.577
397 HD2 LYS 51 2HD LYS 51 0.025 17.798 0.569
398 HD3 LYS 51 3HD LYS 51 -0.726 17.668 2.161
399 HE2 LYS 51 2HE LYS 51 -2.877 18.382 1.134
400 HE3 LYS 51 3HE LYS 51 -2.093 18.332 -0.444
401 HZ1 LYS 51 1HZ LYS 51 -2.237 15.994 1.374
402 HZ2 LYS 51 2HZ LYS 51 -1.765 16.009 -0.250
403 HZ3 LYS 51 3HZ LYS 51 -3.379 16.300 0.164
404 H LYS 52 H LYS 52 -0.132 21.275 -1.180
405 HA LYS 52 HA LYS 52 -0.875 18.785 -2.440
406 HB2 LYS 52 2HB LYS 52 -2.635 20.350 -1.925
407 HB3 LYS 52 3HB LYS 52 -1.827 21.626 -2.826
408 HG2 LYS 52 2HG LYS 52 -3.627 20.831 -4.154
409 HG3 LYS 52 3HG LYS 52 -2.129 20.256 -4.890
410 HD2 LYS 52 2HD LYS 52 -3.370 18.331 -4.945
411 HD3 LYS 52 3HD LYS 52 -2.589 18.150 -3.372
412 HE2 LYS 52 2HE LYS 52 -4.518 18.647 -2.210
413 HE3 LYS 52 3HE LYS 52 -5.218 19.552 -3.551
414 HZ1 LYS 52 1HZ LYS 52 -6.287 17.374 -3.131
415 HZ2 LYS 52 2HZ LYS 52 -4.840 16.609 -3.558
416 HZ3 LYS 52 3HZ LYS 52 -5.678 17.532 -4.702
417 H LEU 53 H LEU 53 0.393 21.915 -3.586
418 HA LEU 53 HA LEU 53 0.753 21.284 -6.248
419 HB2 LEU 53 2HB LEU 53 1.053 23.523 -5.504
420 HB3 LEU 53 3HB LEU 53 2.364 23.053 -4.425
421 HG LEU 53 HG LEU 53 2.911 22.451 -7.228
422 HD11 LEU 53 1HD1 LEU 53 2.560 25.329 -6.399
423 HD12 LEU 53 2HD1 LEU 53 1.571 24.461 -7.573
424 HD13 LEU 53 3HD1 LEU 53 3.276 24.764 -7.909
425 HD21 LEU 53 1HD2 LEU 53 4.767 22.305 -5.899
426 HD22 LEU 53 2HD2 LEU 53 4.271 23.645 -4.865
427 HD23 LEU 53 3HD2 LEU 53 4.927 23.965 -6.471
428 H LEU 54 H LEU 54 2.604 20.275 -3.488
429 HA LEU 54 HA LEU 54 4.906 19.409 -4.946
430 HB2 LEU 54 2HB LEU 54 5.077 19.973 -2.602
431 HB3 LEU 54 3HB LEU 54 3.911 18.719 -2.186
432 HG LEU 54 HG LEU 54 6.437 18.308 -1.777
433 HD11 LEU 54 1HD1 LEU 54 4.436 16.680 -1.740
434 HD12 LEU 54 2HD1 LEU 54 6.068 16.020 -1.852
435 HD13 LEU 54 3HD1 LEU 54 5.059 16.127 -3.295
436 HD21 LEU 54 1HD2 LEU 54 6.911 18.987 -4.217
437 HD22 LEU 54 2HD2 LEU 54 6.358 17.361 -4.619
438 HD23 LEU 54 3HD2 LEU 54 7.748 17.583 -3.555
439 H GLU 55 H GLU 55 2.339 17.585 -3.262
440 HA GLU 55 HA GLU 55 3.062 15.094 -4.388
441 HB2 GLU 55 2HB GLU 55 1.485 15.799 -2.335
442 HB3 GLU 55 3HB GLU 55 0.247 15.536 -3.554
443 HG2 GLU 55 2HG GLU 55 1.621 13.297 -3.917
444 HG3 GLU 55 3HG GLU 55 2.058 13.601 -2.236
445 H CYS 56 H CYS 56 1.607 17.768 -5.771
446 HA CYS 56 HA CYS 56 0.465 18.156 -7.702
447 HB2 CYS 56 2HB CYS 56 2.580 16.756 -8.392
448 HB3 CYS 56 3HB CYS 56 1.390 15.514 -8.763
449 HG CYS 56 HG CYS 56 1.139 16.377 -11.165
450 H LEU 57 H LEU 57 -1.628 17.993 -6.871
451 HA LEU 57 HA LEU 57 -3.128 15.716 -7.883
452 HB2 LEU 57 2HB LEU 57 -2.657 16.262 -5.039
453 HB3 LEU 57 3HB LEU 57 -4.348 16.018 -5.469
454 HG LEU 57 HG LEU 57 -2.377 14.011 -6.427
455 HD11 LEU 57 1HD1 LEU 57 -3.427 13.910 -3.615
456 HD12 LEU 57 2HD1 LEU 57 -1.834 14.555 -4.008
457 HD13 LEU 57 3HD1 LEU 57 -2.220 12.874 -4.376
458 HD21 LEU 57 1HD2 LEU 57 -4.899 13.255 -5.119
459 HD22 LEU 57 2HD2 LEU 57 -4.194 12.702 -6.638
460 HD23 LEU 57 3HD2 LEU 57 -5.070 14.233 -6.577
461 H ASP 58 H ASP 58 -5.427 16.109 -7.984
462 HA ASP 58 HA ASP 58 -6.001 18.895 -8.520
463 HB2 ASP 58 2HB ASP 58 -7.912 16.569 -8.751
464 HB3 ASP 58 3HB ASP 58 -8.001 18.126 -9.570
465 H TYR 59 H TYR 59 -7.945 19.949 -7.710
466 HA TYR 59 HA TYR 59 -9.371 18.966 -5.470
467 HB2 TYR 59 2HB TYR 59 -6.953 19.600 -4.623
468 HB3 TYR 59 3HB TYR 59 -7.599 21.237 -4.667
469 HD1 TYR 59 HD1 TYR 59 -8.564 22.048 -2.738
470 HD2 TYR 59 HD2 TYR 59 -8.577 17.849 -3.420
471 HE1 TYR 59 HE1 TYR 59 -9.607 21.701 -0.538
472 HE2 TYR 59 HE2 TYR 59 -9.621 17.489 -1.222
473 HH TYR 59 HH TYR 59 -10.325 20.214 0.946
474 H LEU 60 H LEU 60 -10.654 20.785 -4.403
475 HA LEU 60 HA LEU 60 -11.124 23.010 -6.259
476 HB2 LEU 60 2HB LEU 60 -12.739 20.878 -6.313
477 HB3 LEU 60 3HB LEU 60 -13.499 21.770 -4.998
478 HG LEU 60 HG LEU 60 -14.599 22.213 -7.127
479 HD11 LEU 60 1HD1 LEU 60 -14.958 24.376 -6.637
480 HD12 LEU 60 2HD1 LEU 60 -13.245 24.788 -6.704
481 HD13 LEU 60 3HD1 LEU 60 -13.916 24.038 -5.255
482 HD21 LEU 60 1HD2 LEU 60 -12.828 23.858 -8.498
483 HD22 LEU 60 2HD2 LEU 60 -13.359 22.245 -8.973
484 HD23 LEU 60 3HD2 LEU 60 -11.869 22.447 -8.049
Start of MODEL 16
1 H LEU 1 H LEU 1 6.583 3.708 2.743
2 HA LEU 1 HA LEU 1 7.717 3.506 0.777
3 HB2 LEU 1 2HB LEU 1 9.559 1.661 2.268
4 HB3 LEU 1 3HB LEU 1 9.947 2.753 0.940
5 HG LEU 1 HG LEU 1 9.085 3.746 3.646
6 HD11 LEU 1 1HD1 LEU 1 11.864 3.140 2.654
7 HD12 LEU 1 2HD1 LEU 1 11.044 2.427 4.043
8 HD13 LEU 1 3HD1 LEU 1 11.503 4.130 4.069
9 HD21 LEU 1 1HD2 LEU 1 10.107 5.808 2.921
10 HD22 LEU 1 2HD2 LEU 1 8.925 5.286 1.720
11 HD23 LEU 1 3HD2 LEU 1 10.649 5.053 1.422
12 H LYS 2 H LYS 2 7.856 2.260 -1.063
13 HA LYS 2 HA LYS 2 7.639 -0.610 -0.951
14 HB2 LYS 2 2HB LYS 2 5.526 -0.685 -2.273
15 HB3 LYS 2 3HB LYS 2 5.312 -0.095 -0.630
16 HG2 LYS 2 2HG LYS 2 4.958 2.096 -1.331
17 HG3 LYS 2 3HG LYS 2 5.681 1.805 -2.914
18 HD2 LYS 2 2HD LYS 2 3.169 0.412 -2.028
19 HD3 LYS 2 3HD LYS 2 3.136 1.998 -2.802
20 HE2 LYS 2 2HE LYS 2 4.327 1.061 -4.735
21 HE3 LYS 2 3HE LYS 2 4.325 -0.522 -3.960
22 HZ1 LYS 2 1HZ LYS 2 1.979 -0.637 -4.113
23 HZ2 LYS 2 2HZ LYS 2 2.536 -0.163 -5.639
24 HZ3 LYS 2 3HZ LYS 2 1.849 0.979 -4.597
25 H GLU 3 H GLU 3 9.576 1.115 -2.012
26 HA GLU 3 HA GLU 3 10.782 1.554 -3.895
27 HB2 GLU 3 2HB GLU 3 10.348 -1.060 -3.868
28 HB3 GLU 3 3HB GLU 3 9.431 -0.691 -5.321
29 HG2 GLU 3 2HG GLU 3 12.090 0.522 -5.239
30 HG3 GLU 3 3HG GLU 3 12.090 -1.240 -5.242
31 H ASN 4 H ASN 4 9.800 3.522 -4.429
32 HA ASN 4 HA ASN 4 8.737 3.716 -7.009
33 HB2 ASN 4 2HB ASN 4 6.776 2.914 -5.240
34 HB3 ASN 4 3HB ASN 4 6.550 4.659 -5.306
35 HD21 ASN 4 1HD2 ASN 4 7.183 1.950 -7.509
36 HD22 ASN 4 2HD2 ASN 4 6.073 2.463 -8.730
37 H ASP 5 H ASP 5 7.348 6.048 -6.971
38 HA ASP 5 HA ASP 5 9.148 7.916 -5.570
39 HB2 ASP 5 2HB ASP 5 9.187 7.612 -8.226
40 HB3 ASP 5 3HB ASP 5 7.856 8.761 -8.114
41 H HIS 6 H HIS 6 6.034 6.816 -5.841
42 HA HIS 6 HA HIS 6 4.657 9.323 -5.497
43 HB2 HIS 6 2HB HIS 6 3.685 7.237 -6.584
44 HB3 HIS 6 3HB HIS 6 3.547 6.568 -4.961
45 HD1 HIS 6 HD1 HIS 6 1.484 7.148 -3.690
46 HD2 HIS 6 HD2 HIS 6 2.092 9.667 -6.938
47 HE1 HIS 6 HE1 HIS 6 -0.581 8.578 -3.829
48 H ALA 7 H ALA 7 5.238 6.483 -3.421
49 HA ALA 7 HA ALA 7 4.132 7.475 -1.078
50 HB1 ALA 7 1HB ALA 7 5.537 5.195 -1.829
51 HB2 ALA 7 2HB ALA 7 6.490 5.906 -0.526
52 HB3 ALA 7 3HB ALA 7 4.791 5.515 -0.263
53 H ARG 8 H ARG 8 7.468 7.763 -2.266
54 HA ARG 8 HA ARG 8 8.547 9.100 -0.066
55 HB2 ARG 8 2HB ARG 8 9.971 8.181 -1.791
56 HB3 ARG 8 3HB ARG 8 9.280 9.264 -2.992
57 HG2 ARG 8 2HG ARG 8 10.449 11.079 -2.234
58 HG3 ARG 8 3HG ARG 8 10.589 10.441 -0.594
59 HD2 ARG 8 2HD ARG 8 12.680 9.891 -1.150
60 HD3 ARG 8 3HD ARG 8 11.959 8.592 -2.099
61 HE ARG 8 HE ARG 8 12.166 11.100 -3.498
62 HH11 ARG 8 1HH1 ARG 8 14.829 8.163 -4.050
63 HH12 ARG 8 2HH1 ARG 8 13.763 8.115 -2.685
64 HH21 ARG 8 1HH2 ARG 8 14.717 9.903 -5.535
65 HH22 ARG 8 2HH2 ARG 8 13.565 11.174 -5.298
66 H PHE 9 H PHE 9 7.137 10.432 -3.049
67 HA PHE 9 HA PHE 9 7.480 13.135 -2.441
68 HB2 PHE 9 2HB PHE 9 6.230 11.620 -4.475
69 HB3 PHE 9 3HB PHE 9 5.021 12.750 -3.875
70 HD1 PHE 9 HD1 PHE 9 4.831 14.523 -5.316
71 HD2 PHE 9 HD2 PHE 9 8.705 13.014 -4.402
72 HE1 PHE 9 HE1 PHE 9 5.844 16.320 -6.658
73 HE2 PHE 9 HE2 PHE 9 9.724 14.808 -5.742
74 HZ PHE 9 HZ PHE 9 8.294 16.465 -6.871
75 H LEU 10 H LEU 10 4.921 10.884 -1.561
76 HA LEU 10 HA LEU 10 3.153 12.808 -0.465
77 HB2 LEU 10 2HB LEU 10 3.194 10.015 -0.868
78 HB3 LEU 10 3HB LEU 10 2.892 10.282 0.848
79 HG LEU 10 HG LEU 10 1.260 11.808 -1.118
80 HD11 LEU 10 1HD1 LEU 10 0.591 9.957 -2.164
81 HD12 LEU 10 2HD1 LEU 10 -0.236 9.548 -0.661
82 HD13 LEU 10 3HD1 LEU 10 1.373 8.903 -0.986
83 HD21 LEU 10 1HD2 LEU 10 1.059 12.174 1.306
84 HD22 LEU 10 2HD2 LEU 10 0.622 10.477 1.513
85 HD23 LEU 10 3HD2 LEU 10 -0.433 11.554 0.597
86 H GLN 11 H GLN 11 5.636 10.722 0.969
87 HA GLN 11 HA GLN 11 5.220 11.350 3.647
88 HB2 GLN 11 2HB GLN 11 7.097 9.890 2.170
89 HB3 GLN 11 3HB GLN 11 8.040 11.083 3.053
90 HG2 GLN 11 2HG GLN 11 7.850 9.924 4.923
91 HG3 GLN 11 3HG GLN 11 6.092 9.926 4.795
92 HE21 GLN 11 1HE2 GLN 11 8.665 7.978 5.093
93 HE22 GLN 11 2HE2 GLN 11 8.056 6.542 4.350
94 H THR 12 H THR 12 6.759 13.175 1.116
95 HA THR 12 HA THR 12 8.076 15.036 2.850
96 HB THR 12 HB THR 12 7.506 15.021 -0.106
97 HG1 THR 12 HG1 THR 12 9.296 13.874 0.194
98 HG21 THR 12 1HG2 THR 12 8.588 17.248 1.591
99 HG22 THR 12 2HG2 THR 12 7.373 17.317 0.315
100 HG23 THR 12 3HG2 THR 12 9.070 17.070 -0.095
101 H ALA 13 H ALA 13 5.288 15.364 0.644
102 HA ALA 13 HA ALA 13 4.490 17.907 1.321
103 HB1 ALA 13 1HB ALA 13 3.342 15.664 -0.035
104 HB2 ALA 13 2HB ALA 13 2.117 16.439 0.971
105 HB3 ALA 13 3HB ALA 13 2.996 17.382 -0.233
106 H LYS 14 H LYS 14 3.612 14.862 2.918
107 HA LYS 14 HA LYS 14 1.903 16.066 4.845
108 HB2 LYS 14 2HB LYS 14 2.861 13.409 4.204
109 HB3 LYS 14 3HB LYS 14 2.866 13.677 5.942
110 HG2 LYS 14 2HG LYS 14 0.421 14.646 4.776
111 HG3 LYS 14 3HG LYS 14 0.701 12.957 4.343
112 HD2 LYS 14 2HD LYS 14 1.261 13.567 7.149
113 HD3 LYS 14 3HD LYS 14 -0.421 13.834 6.684
114 HE2 LYS 14 2HE LYS 14 1.003 11.307 5.931
115 HE3 LYS 14 3HE LYS 14 0.289 11.498 7.532
116 HZ1 LYS 14 1HZ LYS 14 -1.683 12.305 5.844
117 HZ2 LYS 14 2HZ LYS 14 -1.580 10.789 6.587
118 HZ3 LYS 14 3HZ LYS 14 -0.989 11.003 5.016
119 H ASN 15 H ASN 15 5.277 14.963 4.941
120 HA ASN 15 HA ASN 15 5.814 15.479 7.618
121 HB2 ASN 15 2HB ASN 15 7.410 14.267 6.298
122 HB3 ASN 15 3HB ASN 15 7.615 15.625 5.196
123 HD21 ASN 15 1HD2 ASN 15 9.613 16.323 5.443
124 HD22 ASN 15 2HD2 ASN 15 10.383 16.674 6.949
125 H ILE 16 H ILE 16 5.450 17.663 4.949
126 HA ILE 16 HA ILE 16 6.777 19.898 6.096
127 HB ILE 16 HB ILE 16 4.644 19.763 3.964
128 HG12 ILE 16 2HG1 ILE 16 7.489 20.502 3.457
129 HG13 ILE 16 3HG1 ILE 16 7.115 18.806 3.743
130 HG21 ILE 16 1HG2 ILE 16 4.400 21.952 4.392
131 HG22 ILE 16 2HG2 ILE 16 5.899 22.041 5.315
132 HG23 ILE 16 3HG2 ILE 16 5.943 22.115 3.554
133 HD11 ILE 16 1HD1 ILE 16 6.561 18.622 1.614
134 HD12 ILE 16 2HD1 ILE 16 5.223 19.737 1.890
135 HD13 ILE 16 3HD1 ILE 16 6.791 20.353 1.369
136 H THR 17 H THR 17 3.326 19.054 5.824
137 HA THR 17 HA THR 17 2.528 21.233 7.525
138 HB THR 17 HB THR 17 0.634 19.003 7.045
139 HG1 THR 17 HG1 THR 17 1.257 18.936 5.001
140 HG21 THR 17 1HG2 THR 17 -0.925 20.776 6.709
141 HG22 THR 17 2HG2 THR 17 0.368 21.959 6.514
142 HG23 THR 17 3HG2 THR 17 0.074 21.227 8.090
143 H GLU 18 H GLU 18 3.667 18.076 8.027
144 HA GLU 18 HA GLU 18 2.302 17.686 10.556
145 HB2 GLU 18 2HB GLU 18 2.844 15.793 9.004
146 HB3 GLU 18 3HB GLU 18 4.546 16.058 9.355
147 HG2 GLU 18 2HG GLU 18 4.188 14.467 10.896
148 HG3 GLU 18 3HG GLU 18 3.604 15.828 11.854
149 H ARG 19 H ARG 19 5.510 18.549 9.383
150 HA ARG 19 HA ARG 19 6.759 18.515 11.944
151 HB2 ARG 19 2HB ARG 19 7.895 18.355 9.663
152 HB3 ARG 19 3HB ARG 19 7.685 20.098 9.552
153 HG2 ARG 19 2HG ARG 19 8.840 19.746 12.032
154 HG3 ARG 19 3HG ARG 19 9.648 18.549 11.017
155 HD2 ARG 19 2HD ARG 19 10.070 20.367 9.354
156 HD3 ARG 19 3HD ARG 19 9.435 21.515 10.532
157 HE ARG 19 HE ARG 19 11.397 21.349 11.711
158 HH11 ARG 19 1HH1 ARG 19 12.870 18.276 9.610
159 HH12 ARG 19 2HH1 ARG 19 11.231 18.782 9.365
160 HH21 ARG 19 1HH2 ARG 19 14.191 19.363 11.134
161 HH22 ARG 19 2HH2 ARG 19 13.556 20.692 12.043
162 H VAL 20 H VAL 20 5.082 20.937 10.045
163 HA VAL 20 HA VAL 20 5.866 23.181 11.607
164 HB VAL 20 HB VAL 20 5.041 23.485 9.340
165 HG11 VAL 20 1HG1 VAL 20 3.306 21.563 9.705
166 HG12 VAL 20 2HG1 VAL 20 2.243 22.887 10.187
167 HG13 VAL 20 3HG1 VAL 20 2.960 22.871 8.575
168 HG21 VAL 20 1HG2 VAL 20 3.294 25.242 9.819
169 HG22 VAL 20 2HG2 VAL 20 3.366 24.735 11.507
170 HG23 VAL 20 3HG2 VAL 20 4.801 25.396 10.722
171 H SER 21 H SER 21 2.990 21.102 11.593
172 HA SER 21 HA SER 21 1.509 22.453 13.533
173 HB2 SER 21 2HB SER 21 0.729 20.547 12.051
174 HB3 SER 21 3HB SER 21 1.531 19.452 13.177
175 HG SER 21 HG SER 21 -0.528 19.596 13.897
176 H MET 22 H MET 22 3.756 19.719 13.929
177 HA MET 22 HA MET 22 3.553 19.426 16.682
178 HB2 MET 22 2HB MET 22 5.304 18.514 14.594
179 HB3 MET 22 3HB MET 22 6.254 18.951 16.008
180 HG2 MET 22 2HG MET 22 5.478 17.233 17.228
181 HG3 MET 22 3HG MET 22 3.856 17.344 16.550
182 HE1 MET 22 1HE MET 22 7.404 16.949 15.172
183 HE2 MET 22 2HE MET 22 7.413 15.498 16.174
184 HE3 MET 22 3HE MET 22 7.413 15.355 14.416
185 H ALA 23 H ALA 23 5.621 21.587 14.793
186 HA ALA 23 HA ALA 23 7.107 22.609 16.966
187 HB1 ALA 23 1HB ALA 23 7.035 24.637 15.082
188 HB2 ALA 23 2HB ALA 23 8.228 23.341 15.187
189 HB3 ALA 23 3HB ALA 23 6.823 23.163 14.136
190 H THR 24 H THR 24 3.955 23.351 15.697
191 HA THR 24 HA THR 24 3.722 25.864 17.098
192 HB THR 24 HB THR 24 1.146 25.017 16.396
193 HG1 THR 24 HG1 THR 24 2.925 24.484 14.242
194 HG21 THR 24 1HG2 THR 24 1.367 27.172 15.812
195 HG22 THR 24 2HG2 THR 24 2.002 26.563 14.284
196 HG23 THR 24 3HG2 THR 24 3.108 27.018 15.580
197 H ALA 25 H ALA 25 2.825 22.522 17.618
198 HA ALA 25 HA ALA 25 1.142 23.109 19.888
199 HB1 ALA 25 1HB ALA 25 1.145 21.058 18.187
200 HB2 ALA 25 2HB ALA 25 2.158 20.363 19.453
201 HB3 ALA 25 3HB ALA 25 0.531 20.925 19.835
202 H SER 26 H SER 26 4.272 21.461 19.430
203 HA SER 26 HA SER 26 4.860 21.055 22.124
204 HB2 SER 26 2HB SER 26 6.073 20.278 19.900
205 HB3 SER 26 3HB SER 26 7.081 21.687 20.227
206 HG SER 26 HG SER 26 6.788 19.321 21.691
207 H SER 27 H SER 27 5.515 23.828 20.035
208 HA SER 27 HA SER 27 7.115 25.284 21.822
209 HB2 SER 27 2HB SER 27 7.021 25.923 19.498
210 HB3 SER 27 3HB SER 27 5.286 26.220 19.601
211 HG SER 27 HG SER 27 7.074 27.618 21.266
212 H GLN 28 H GLN 28 3.623 25.559 21.163
213 HA GLN 28 HA GLN 28 3.333 26.923 23.756
214 HB2 GLN 28 2HB GLN 28 2.170 27.404 21.117
215 HB3 GLN 28 3HB GLN 28 0.969 27.348 22.400
216 HG2 GLN 28 2HG GLN 28 3.435 29.051 22.563
217 HG3 GLN 28 3HG GLN 28 1.927 29.614 21.842
218 HE21 GLN 28 1HE2 GLN 28 3.380 30.547 24.214
219 HE22 GLN 28 2HE2 GLN 28 2.255 30.452 25.521
220 H VAL 29 H VAL 29 0.983 25.277 21.667
221 HA VAL 29 HA VAL 29 0.681 22.930 23.125
222 HB VAL 29 HB VAL 29 -0.008 24.157 25.041
223 HG11 VAL 29 1HG1 VAL 29 -1.949 25.621 23.255
224 HG12 VAL 29 2HG1 VAL 29 -1.807 25.813 25.003
225 HG13 VAL 29 3HG1 VAL 29 -0.473 26.290 23.952
226 HG21 VAL 29 1HG2 VAL 29 -1.349 22.162 24.477
227 HG22 VAL 29 2HG2 VAL 29 -2.263 23.358 25.396
228 HG23 VAL 29 3HG2 VAL 29 -2.513 23.203 23.657
229 H LEU 30 H LEU 30 -0.738 25.427 21.160
230 HA LEU 30 HA LEU 30 -1.991 25.301 19.258
231 HB2 LEU 30 2HB LEU 30 -0.648 23.068 19.078
232 HB3 LEU 30 3HB LEU 30 -2.194 22.331 19.494
233 HG LEU 30 HG LEU 30 -2.839 24.036 17.422
234 HD11 LEU 30 1HD1 LEU 30 -0.863 24.554 16.469
235 HD12 LEU 30 2HD1 LEU 30 -1.032 22.950 15.757
236 HD13 LEU 30 3HD1 LEU 30 -0.029 23.176 17.190
237 HD21 LEU 30 1HD2 LEU 30 -3.341 21.523 18.020
238 HD22 LEU 30 2HD2 LEU 30 -2.068 21.221 16.836
239 HD23 LEU 30 3HD2 LEU 30 -3.513 22.119 16.369
240 H ILE 31 H ILE 31 -3.612 26.286 20.641
241 HA ILE 31 HA ILE 31 -6.035 24.693 20.689
242 HB ILE 31 HB ILE 31 -6.568 25.417 23.039
243 HG12 ILE 31 2HG1 ILE 31 -3.857 25.558 23.964
244 HG13 ILE 31 3HG1 ILE 31 -4.109 26.795 22.738
245 HG21 ILE 31 1HG2 ILE 31 -5.325 23.592 24.078
246 HG22 ILE 31 2HG2 ILE 31 -5.931 23.125 22.491
247 HG23 ILE 31 3HG2 ILE 31 -4.231 23.543 22.696
248 HD11 ILE 31 1HD1 ILE 31 -5.802 27.830 23.978
249 HD12 ILE 31 2HD1 ILE 31 -5.985 26.438 25.047
250 HD13 ILE 31 3HD1 ILE 31 -4.540 27.443 25.147
251 HA PRO 32 HA PRO 32 -7.910 28.511 19.599
252 HB2 PRO 32 2HB PRO 32 -10.406 28.178 20.614
253 HB3 PRO 32 3HB PRO 32 -9.827 27.313 19.186
254 HG2 PRO 32 2HG PRO 32 -10.010 26.376 22.023
255 HG3 PRO 32 3HG PRO 32 -10.432 25.515 20.531
256 HD2 PRO 32 2HD PRO 32 -8.105 25.091 21.850
257 HD3 PRO 32 3HD PRO 32 -8.240 24.957 20.085
258 H GLU 33 H GLU 33 -7.326 30.364 20.541
259 HA GLU 33 HA GLU 33 -8.072 30.797 23.360
260 HB2 GLU 33 2HB GLU 33 -5.687 30.767 23.198
261 HB3 GLU 33 3HB GLU 33 -5.708 31.817 21.789
262 HG2 GLU 33 2HG GLU 33 -6.347 33.693 23.080
263 HG3 GLU 33 3HG GLU 33 -6.695 32.690 24.487
264 H ILE 34 H ILE 34 -6.994 33.007 20.799
265 HA ILE 34 HA ILE 34 -9.608 34.271 20.699
266 HB ILE 34 HB ILE 34 -7.159 35.806 21.577
267 HG12 ILE 34 2HG1 ILE 34 -9.750 35.180 23.010
268 HG13 ILE 34 3HG1 ILE 34 -8.167 34.512 23.392
269 HG21 ILE 34 1HG2 ILE 34 -8.521 37.106 20.039
270 HG22 ILE 34 2HG2 ILE 34 -9.959 36.765 21.000
271 HG23 ILE 34 3HG2 ILE 34 -8.658 37.745 21.677
272 HD11 ILE 34 1HD1 ILE 34 -8.278 36.146 24.958
273 HD12 ILE 34 2HD1 ILE 34 -7.558 37.072 23.640
274 HD13 ILE 34 3HD1 ILE 34 -9.288 37.191 23.960
275 H ASN 35 H ASN 35 -6.333 35.390 19.876
276 HA ASN 35 HA ASN 35 -7.210 35.610 17.078
277 HB2 ASN 35 2HB ASN 35 -6.362 37.650 18.447
278 HB3 ASN 35 3HB ASN 35 -4.764 36.955 18.191
279 HD21 ASN 35 1HD2 ASN 35 -7.101 38.977 16.958
280 HD22 ASN 35 2HD2 ASN 35 -6.508 39.118 15.341
281 H LEU 36 H LEU 36 -5.300 33.768 19.123
282 HA LEU 36 HA LEU 36 -2.995 33.201 17.726
283 HB2 LEU 36 2HB LEU 36 -3.367 32.290 19.906
284 HB3 LEU 36 3HB LEU 36 -4.766 31.378 19.341
285 HG LEU 36 HG LEU 36 -2.162 30.765 18.066
286 HD11 LEU 36 1HD1 LEU 36 -1.136 30.572 20.056
287 HD12 LEU 36 2HD1 LEU 36 -2.063 29.076 20.173
288 HD13 LEU 36 3HD1 LEU 36 -2.653 30.542 20.956
289 HD21 LEU 36 1HD2 LEU 36 -3.742 29.350 17.257
290 HD22 LEU 36 2HD2 LEU 36 -4.721 29.423 18.722
291 HD23 LEU 36 3HD2 LEU 36 -3.268 28.422 18.680
292 H ASN 37 H ASN 37 -6.258 31.996 17.171
293 HA ASN 37 HA ASN 37 -5.696 29.973 15.340
294 HB2 ASN 37 2HB ASN 37 -8.096 31.815 15.292
295 HB3 ASN 37 3HB ASN 37 -7.997 30.197 14.604
296 HD21 ASN 37 1HD2 ASN 37 -9.771 31.356 16.659
297 HD22 ASN 37 2HD2 ASN 37 -9.611 30.324 18.036
298 H ASP 38 H ASP 38 -6.429 33.402 14.724
299 HA ASP 38 HA ASP 38 -6.239 33.360 11.952
300 HB2 ASP 38 2HB ASP 38 -6.584 35.308 13.920
301 HB3 ASP 38 3HB ASP 38 -5.125 35.799 13.065
302 H THR 39 H THR 39 -3.740 33.349 14.377
303 HA THR 39 HA THR 39 -1.613 34.007 12.555
304 HB THR 39 HB THR 39 -0.560 32.701 14.844
305 HG1 THR 39 HG1 THR 39 -2.290 34.739 15.714
306 HG21 THR 39 1HG2 THR 39 0.602 34.498 13.832
307 HG22 THR 39 2HG2 THR 39 0.099 35.087 15.417
308 HG23 THR 39 3HG2 THR 39 -0.788 35.574 13.972
309 H PHE 40 H PHE 40 -2.530 31.054 14.334
310 HA PHE 40 HA PHE 40 -0.651 29.356 13.156
311 HB2 PHE 40 2HB PHE 40 -2.022 28.833 15.182
312 HB3 PHE 40 3HB PHE 40 -3.408 28.581 14.125
313 HD1 PHE 40 HD1 PHE 40 0.126 27.565 13.610
314 HD2 PHE 40 HD2 PHE 40 -3.877 26.317 14.344
315 HE1 PHE 40 HE1 PHE 40 0.802 25.221 13.292
316 HE2 PHE 40 HE2 PHE 40 -3.207 23.971 14.028
317 HZ PHE 40 HZ PHE 40 -0.865 23.420 13.502
318 H ASP 41 H ASP 41 -3.930 30.208 12.158
319 HA ASP 41 HA ASP 41 -4.242 28.378 10.077
320 HB2 ASP 41 2HB ASP 41 -5.881 30.165 11.125
321 HB3 ASP 41 3HB ASP 41 -5.316 31.152 9.781
322 H THR 42 H THR 42 -3.334 31.814 9.736
323 HA THR 42 HA THR 42 -2.626 31.738 7.060
324 HB THR 42 HB THR 42 -2.715 33.719 8.860
325 HG1 THR 42 HG1 THR 42 -1.636 34.981 7.194
326 HG21 THR 42 1HG2 THR 42 0.243 33.429 8.374
327 HG22 THR 42 2HG2 THR 42 -0.538 32.875 9.856
328 HG23 THR 42 3HG2 THR 42 -0.582 34.583 9.420
329 H PHE 43 H PHE 43 -0.859 30.650 9.851
330 HA PHE 43 HA PHE 43 1.693 30.505 8.574
331 HB2 PHE 43 2HB PHE 43 1.353 30.653 11.053
332 HB3 PHE 43 3HB PHE 43 0.753 28.998 11.019
333 HD1 PHE 43 HD1 PHE 43 2.348 27.825 12.240
334 HD2 PHE 43 HD2 PHE 43 3.598 30.453 9.134
335 HE1 PHE 43 HE1 PHE 43 4.651 26.987 12.462
336 HE2 PHE 43 HE2 PHE 43 5.902 29.618 9.350
337 HZ PHE 43 HZ PHE 43 6.431 27.883 11.015
338 H ALA 44 H ALA 44 -0.543 27.946 9.663
339 HA ALA 44 HA ALA 44 0.741 25.814 8.418
340 HB1 ALA 44 1HB ALA 44 -0.928 25.407 10.082
341 HB2 ALA 44 2HB ALA 44 -2.170 26.184 9.100
342 HB3 ALA 44 3HB ALA 44 -1.461 24.657 8.577
343 H LEU 45 H LEU 45 -1.905 27.859 7.213
344 HA LEU 45 HA LEU 45 -2.513 26.642 4.850
345 HB2 LEU 45 2HB LEU 45 -3.281 28.914 5.948
346 HB3 LEU 45 3HB LEU 45 -2.123 29.593 4.806
347 HG LEU 45 HG LEU 45 -4.232 29.739 3.766
348 HD11 LEU 45 1HD1 LEU 45 -2.962 27.235 2.675
349 HD12 LEU 45 2HD1 LEU 45 -2.388 28.871 2.355
350 HD13 LEU 45 3HD1 LEU 45 -3.989 28.375 1.806
351 HD21 LEU 45 1HD2 LEU 45 -5.906 28.442 4.424
352 HD22 LEU 45 2HD2 LEU 45 -4.786 27.365 5.259
353 HD23 LEU 45 3HD2 LEU 45 -5.172 27.092 3.559
354 H ASP 46 H ASP 46 -0.077 29.236 5.134
355 HA ASP 46 HA ASP 46 0.970 29.144 2.605
356 HB2 ASP 46 2HB ASP 46 1.623 30.455 4.912
357 HB3 ASP 46 3HB ASP 46 3.022 29.406 4.698
358 H PHE 47 H PHE 47 2.026 27.202 5.393
359 HA PHE 47 HA PHE 47 4.052 25.779 4.108
360 HB2 PHE 47 2HB PHE 47 2.545 25.558 6.594
361 HB3 PHE 47 3HB PHE 47 2.998 23.986 5.944
362 HD1 PHE 47 HD1 PHE 47 5.573 24.213 4.872
363 HD2 PHE 47 HD2 PHE 47 3.964 26.246 8.248
364 HE1 PHE 47 HE1 PHE 47 7.842 24.491 5.782
365 HE2 PHE 47 HE2 PHE 47 6.230 26.527 9.163
366 HZ PHE 47 HZ PHE 47 8.173 25.650 7.929
367 H SER 48 H SER 48 0.752 24.618 4.817
368 HA SER 48 HA SER 48 0.861 22.272 3.353
369 HB2 SER 48 2HB SER 48 -1.045 23.494 4.866
370 HB3 SER 48 3HB SER 48 -1.735 23.675 3.254
371 HG SER 48 HG SER 48 -1.579 21.432 2.992
372 H ARG 49 H ARG 49 0.550 25.537 2.253
373 HA ARG 49 HA ARG 49 -0.632 25.168 -0.243
374 HB2 ARG 49 2HB ARG 49 0.027 27.349 0.976
375 HB3 ARG 49 3HB ARG 49 1.595 27.135 0.210
376 HG2 ARG 49 2HG ARG 49 0.157 28.650 -1.054
377 HG3 ARG 49 3HG ARG 49 0.563 27.206 -1.983
378 HD2 ARG 49 2HD ARG 49 -1.571 26.413 -1.941
379 HD3 ARG 49 3HD ARG 49 -1.922 27.133 -0.370
380 HE ARG 49 HE ARG 49 -2.765 28.949 -1.458
381 HH11 ARG 49 1HH1 ARG 49 -1.031 28.237 -4.995
382 HH12 ARG 49 2HH1 ARG 49 -0.659 27.231 -3.634
383 HH21 ARG 49 1HH2 ARG 49 -2.511 29.971 -4.771
384 HH22 ARG 49 2HH2 ARG 49 -3.263 30.280 -3.242
385 H GLU 50 H GLU 50 2.836 25.220 0.582
386 HA GLU 50 HA GLU 50 3.735 24.568 -2.013
387 HB2 GLU 50 2HB GLU 50 4.925 25.296 0.377
388 HB3 GLU 50 3HB GLU 50 5.475 23.644 0.141
389 HG2 GLU 50 2HG GLU 50 5.704 25.786 -1.954
390 HG3 GLU 50 3HG GLU 50 6.973 25.414 -0.788
391 H LYS 51 H LYS 51 2.746 22.628 0.729
392 HA LYS 51 HA LYS 51 3.776 20.150 -0.087
393 HB2 LYS 51 2HB LYS 51 3.031 19.984 2.058
394 HB3 LYS 51 3HB LYS 51 1.682 21.079 1.787
395 HG2 LYS 51 2HG LYS 51 1.450 18.519 0.389
396 HG3 LYS 51 3HG LYS 51 1.471 18.395 2.149
397 HD2 LYS 51 2HD LYS 51 -0.490 19.562 2.390
398 HD3 LYS 51 3HD LYS 51 -0.261 20.465 0.890
399 HE2 LYS 51 2HE LYS 51 -2.109 18.776 0.833
400 HE3 LYS 51 3HE LYS 51 -0.893 18.585 -0.428
401 HZ1 LYS 51 1HZ LYS 51 -0.115 16.668 0.480
402 HZ2 LYS 51 2HZ LYS 51 -1.723 16.558 0.992
403 HZ3 LYS 51 3HZ LYS 51 -0.530 17.095 2.064
404 H LYS 52 H LYS 52 0.600 21.633 -0.671
405 HA LYS 52 HA LYS 52 -0.553 19.540 -2.107
406 HB2 LYS 52 2HB LYS 52 -1.896 21.387 -1.340
407 HB3 LYS 52 3HB LYS 52 -0.977 22.524 -2.318
408 HG2 LYS 52 2HG LYS 52 -3.046 22.145 -3.413
409 HG3 LYS 52 3HG LYS 52 -1.797 21.317 -4.347
410 HD2 LYS 52 2HD LYS 52 -3.408 19.685 -4.262
411 HD3 LYS 52 3HD LYS 52 -2.468 19.280 -2.824
412 HE2 LYS 52 2HE LYS 52 -4.081 20.061 -1.385
413 HE3 LYS 52 3HE LYS 52 -4.743 21.187 -2.569
414 HZ1 LYS 52 1HZ LYS 52 -6.348 19.650 -2.732
415 HZ2 LYS 52 2HZ LYS 52 -5.391 18.406 -2.103
416 HZ3 LYS 52 3HZ LYS 52 -5.253 18.836 -3.733
417 H LEU 53 H LEU 53 1.160 22.405 -3.357
418 HA LEU 53 HA LEU 53 1.041 21.820 -6.056
419 HB2 LEU 53 2HB LEU 53 2.404 23.647 -4.398
420 HB3 LEU 53 3HB LEU 53 3.619 22.900 -5.433
421 HG LEU 53 HG LEU 53 1.859 23.518 -7.318
422 HD11 LEU 53 1HD1 LEU 53 0.152 24.410 -5.903
423 HD12 LEU 53 2HD1 LEU 53 0.877 25.746 -6.796
424 HD13 LEU 53 3HD1 LEU 53 1.302 25.484 -5.105
425 HD21 LEU 53 1HD2 LEU 53 3.913 25.279 -6.012
426 HD22 LEU 53 2HD2 LEU 53 3.067 25.756 -7.485
427 HD23 LEU 53 3HD2 LEU 53 4.066 24.302 -7.473
428 H LEU 54 H LEU 54 3.029 20.409 -3.575
429 HA LEU 54 HA LEU 54 4.870 19.148 -5.382
430 HB2 LEU 54 2HB LEU 54 5.785 19.524 -3.290
431 HB3 LEU 54 3HB LEU 54 4.327 19.002 -2.448
432 HG LEU 54 HG LEU 54 5.849 16.963 -3.986
433 HD11 LEU 54 1HD1 LEU 54 7.165 16.624 -1.784
434 HD12 LEU 54 2HD1 LEU 54 6.818 18.331 -1.509
435 HD13 LEU 54 3HD1 LEU 54 7.720 17.834 -2.941
436 HD21 LEU 54 1HD2 LEU 54 3.745 17.053 -2.077
437 HD22 LEU 54 2HD2 LEU 54 5.107 16.190 -1.361
438 HD23 LEU 54 3HD2 LEU 54 4.431 15.651 -2.899
439 H GLU 55 H GLU 55 2.142 18.027 -3.391
440 HA GLU 55 HA GLU 55 2.236 15.339 -4.206
441 HB2 GLU 55 2HB GLU 55 0.994 16.063 -2.231
442 HB3 GLU 55 3HB GLU 55 -0.116 16.976 -3.243
443 HG2 GLU 55 2HG GLU 55 -0.844 14.880 -4.300
444 HG3 GLU 55 3HG GLU 55 0.227 13.987 -3.222
445 H CYS 56 H CYS 56 0.415 18.107 -5.463
446 HA CYS 56 HA CYS 56 -0.617 18.475 -7.455
447 HB2 CYS 56 2HB CYS 56 1.703 17.264 -8.120
448 HB3 CYS 56 3HB CYS 56 0.560 16.098 -8.776
449 HG CYS 56 HG CYS 56 0.636 17.383 -11.015
450 H LEU 57 H LEU 57 -2.201 17.548 -9.005
451 HA LEU 57 HA LEU 57 -4.103 16.383 -9.442
452 HB2 LEU 57 2HB LEU 57 -2.995 14.065 -7.904
453 HB3 LEU 57 3HB LEU 57 -4.052 14.054 -9.314
454 HG LEU 57 HG LEU 57 -1.165 14.911 -9.406
455 HD11 LEU 57 1HD1 LEU 57 -1.918 12.337 -10.589
456 HD12 LEU 57 2HD1 LEU 57 -1.957 12.381 -8.827
457 HD13 LEU 57 3HD1 LEU 57 -0.475 12.797 -9.686
458 HD21 LEU 57 1HD2 LEU 57 -3.367 14.884 -11.289
459 HD22 LEU 57 2HD2 LEU 57 -1.990 13.946 -11.868
460 HD23 LEU 57 3HD2 LEU 57 -1.779 15.639 -11.419
461 H ASP 58 H ASP 58 -6.012 15.333 -8.410
462 HA ASP 58 HA ASP 58 -6.266 15.179 -5.599
463 HB2 ASP 58 2HB ASP 58 -7.421 17.148 -5.041
464 HB3 ASP 58 3HB ASP 58 -6.082 17.707 -6.040
465 H TYR 59 H TYR 59 -8.894 15.628 -5.177
466 HA TYR 59 HA TYR 59 -10.344 14.241 -7.314
467 HB2 TYR 59 2HB TYR 59 -9.476 12.655 -5.478
468 HB3 TYR 59 3HB TYR 59 -10.681 13.410 -4.440
469 HD1 TYR 59 HD1 TYR 59 -10.129 11.179 -7.280
470 HD2 TYR 59 HD2 TYR 59 -13.064 13.067 -4.847
471 HE1 TYR 59 HE1 TYR 59 -11.837 9.644 -8.161
472 HE2 TYR 59 HE2 TYR 59 -14.780 11.537 -5.720
473 HH TYR 59 HH TYR 59 -15.242 10.010 -7.323
474 H LEU 60 H LEU 60 -12.545 14.671 -7.407
475 HA LEU 60 HA LEU 60 -14.438 15.910 -7.193
476 HB2 LEU 60 2HB LEU 60 -14.035 14.870 -4.787
477 HB3 LEU 60 3HB LEU 60 -13.822 16.568 -4.362
478 HG LEU 60 HG LEU 60 -16.278 15.626 -5.806
479 HD11 LEU 60 1HD1 LEU 60 -16.387 14.228 -3.953
480 HD12 LEU 60 2HD1 LEU 60 -17.290 15.653 -3.440
481 HD13 LEU 60 3HD1 LEU 60 -15.632 15.416 -2.889
482 HD21 LEU 60 1HD2 LEU 60 -17.001 17.714 -5.509
483 HD22 LEU 60 2HD2 LEU 60 -15.331 18.119 -5.108
484 HD23 LEU 60 3HD2 LEU 60 -16.481 17.743 -3.824
Start of MODEL 17
1 H LEU 1 H LEU 1 10.994 0.594 1.381
2 HA LEU 1 HA LEU 1 9.261 2.511 0.793
3 HB2 LEU 1 2HB LEU 1 10.442 3.248 3.467
4 HB3 LEU 1 3HB LEU 1 9.449 4.295 2.456
5 HG LEU 1 HG LEU 1 7.715 2.309 2.747
6 HD11 LEU 1 1HD1 LEU 1 9.711 1.932 4.916
7 HD12 LEU 1 2HD1 LEU 1 8.748 0.741 4.043
8 HD13 LEU 1 3HD1 LEU 1 8.002 1.725 5.302
9 HD21 LEU 1 1HD2 LEU 1 8.268 4.404 4.846
10 HD22 LEU 1 2HD2 LEU 1 6.743 3.549 4.617
11 HD23 LEU 1 3HD2 LEU 1 7.340 4.639 3.364
12 H LYS 2 H LYS 2 11.442 1.637 -0.423
13 HA LYS 2 HA LYS 2 13.186 4.002 -0.487
14 HB2 LYS 2 2HB LYS 2 13.934 1.210 0.011
15 HB3 LYS 2 3HB LYS 2 14.865 1.973 -1.271
16 HG2 LYS 2 2HG LYS 2 15.250 3.878 0.386
17 HG3 LYS 2 3HG LYS 2 14.662 2.755 1.615
18 HD2 LYS 2 2HD LYS 2 16.534 1.495 1.541
19 HD3 LYS 2 3HD LYS 2 16.714 1.680 -0.205
20 HE2 LYS 2 2HE LYS 2 18.352 3.131 0.179
21 HE3 LYS 2 3HE LYS 2 17.158 4.223 0.880
22 HZ1 LYS 2 1HZ LYS 2 19.184 2.650 2.175
23 HZ2 LYS 2 2HZ LYS 2 17.662 2.490 2.895
24 HZ3 LYS 2 3HZ LYS 2 18.362 4.021 2.729
25 H GLU 3 H GLU 3 13.475 4.833 -2.463
26 HA GLU 3 HA GLU 3 13.271 5.154 -4.706
27 HB2 GLU 3 2HB GLU 3 13.688 2.171 -4.924
28 HB3 GLU 3 3HB GLU 3 14.012 3.382 -6.157
29 HG2 GLU 3 2HG GLU 3 15.693 4.367 -4.530
30 HG3 GLU 3 3HG GLU 3 15.506 2.877 -3.607
31 H ASN 4 H ASN 4 11.049 5.713 -4.511
32 HA ASN 4 HA ASN 4 9.316 3.916 -5.990
33 HB2 ASN 4 2HB ASN 4 8.445 4.968 -3.291
34 HB3 ASN 4 3HB ASN 4 7.527 3.916 -4.364
35 HD21 ASN 4 1HD2 ASN 4 9.974 4.117 -1.971
36 HD22 ASN 4 2HD2 ASN 4 10.270 2.422 -1.814
37 H ASP 5 H ASP 5 6.951 5.150 -5.857
38 HA ASP 5 HA ASP 5 7.540 7.918 -6.680
39 HB2 ASP 5 2HB ASP 5 5.558 5.927 -7.780
40 HB3 ASP 5 3HB ASP 5 5.468 7.650 -8.136
41 H HIS 6 H HIS 6 4.612 6.053 -5.866
42 HA HIS 6 HA HIS 6 3.297 8.266 -4.698
43 HB2 HIS 6 2HB HIS 6 2.253 6.129 -5.641
44 HB3 HIS 6 3HB HIS 6 2.665 5.378 -4.102
45 HD1 HIS 6 HD1 HIS 6 0.150 5.043 -3.561
46 HD2 HIS 6 HD2 HIS 6 1.290 9.012 -4.017
47 HE1 HIS 6 HE1 HIS 6 -1.763 6.400 -2.654
48 H ALA 7 H ALA 7 5.524 5.919 -3.464
49 HA ALA 7 HA ALA 7 4.907 6.151 -0.711
50 HB1 ALA 7 1HB ALA 7 7.704 5.587 -1.487
51 HB2 ALA 7 2HB ALA 7 6.641 4.737 -0.365
52 HB3 ALA 7 3HB ALA 7 6.471 4.487 -2.103
53 H ARG 8 H ARG 8 7.278 7.796 -2.781
54 HA ARG 8 HA ARG 8 8.293 9.421 -0.652
55 HB2 ARG 8 2HB ARG 8 9.489 10.622 -2.455
56 HB3 ARG 8 3HB ARG 8 9.723 8.880 -2.529
57 HG2 ARG 8 2HG ARG 8 8.217 8.679 -4.365
58 HG3 ARG 8 3HG ARG 8 7.711 10.362 -4.202
59 HD2 ARG 8 2HD ARG 8 10.468 10.499 -4.462
60 HD3 ARG 8 3HD ARG 8 9.992 9.232 -5.591
61 HE ARG 8 HE ARG 8 8.994 10.823 -6.906
62 HH11 ARG 8 1HH1 ARG 8 9.262 13.796 -4.238
63 HH12 ARG 8 2HH1 ARG 8 9.669 12.178 -3.771
64 HH21 ARG 8 1HH2 ARG 8 8.570 14.233 -6.378
65 HH22 ARG 8 2HH2 ARG 8 8.455 12.948 -7.533
66 H PHE 9 H PHE 9 5.762 9.708 -3.027
67 HA PHE 9 HA PHE 9 5.411 12.526 -2.809
68 HB2 PHE 9 2HB PHE 9 3.936 10.267 -4.048
69 HB3 PHE 9 3HB PHE 9 3.003 11.716 -3.686
70 HD1 PHE 9 HD1 PHE 9 4.574 13.937 -4.312
71 HD2 PHE 9 HD2 PHE 9 4.537 10.147 -6.249
72 HE1 PHE 9 HE1 PHE 9 5.403 14.988 -6.377
73 HE2 PHE 9 HE2 PHE 9 5.366 11.191 -8.316
74 HZ PHE 9 HZ PHE 9 5.801 13.614 -8.382
75 H LEU 10 H LEU 10 3.955 9.728 -1.228
76 HA LEU 10 HA LEU 10 2.035 11.261 0.239
77 HB2 LEU 10 2HB LEU 10 2.285 8.636 -0.371
78 HB3 LEU 10 3HB LEU 10 2.848 8.637 1.299
79 HG LEU 10 HG LEU 10 0.276 10.004 0.724
80 HD11 LEU 10 1HD1 LEU 10 -0.734 7.613 1.138
81 HD12 LEU 10 2HD1 LEU 10 0.761 7.091 0.364
82 HD13 LEU 10 3HD1 LEU 10 -0.343 8.168 -0.490
83 HD21 LEU 10 1HD2 LEU 10 -0.087 9.690 2.924
84 HD22 LEU 10 2HD2 LEU 10 1.663 9.473 2.979
85 HD23 LEU 10 3HD2 LEU 10 0.601 8.065 2.915
86 H GLN 11 H GLN 11 5.064 9.611 1.130
87 HA GLN 11 HA GLN 11 5.156 10.287 3.806
88 HB2 GLN 11 2HB GLN 11 6.735 8.764 2.573
89 HB3 GLN 11 3HB GLN 11 7.555 10.200 1.974
90 HG2 GLN 11 2HG GLN 11 8.447 10.717 4.019
91 HG3 GLN 11 3HG GLN 11 7.172 9.882 4.907
92 HE21 GLN 11 1HE2 GLN 11 9.981 9.362 2.841
93 HE22 GLN 11 2HE2 GLN 11 10.410 7.825 3.503
94 H THR 12 H THR 12 5.787 12.262 1.010
95 HA THR 12 HA THR 12 7.086 14.379 2.446
96 HB THR 12 HB THR 12 5.857 14.337 -0.316
97 HG1 THR 12 HG1 THR 12 7.927 13.115 0.413
98 HG21 THR 12 1HG2 THR 12 7.363 16.382 -0.611
99 HG22 THR 12 2HG2 THR 12 7.411 16.453 1.150
100 HG23 THR 12 3HG2 THR 12 5.873 16.607 0.302
101 H ALA 13 H ALA 13 3.899 14.114 0.861
102 HA ALA 13 HA ALA 13 2.813 16.517 1.648
103 HB1 ALA 13 1HB ALA 13 1.284 15.574 0.319
104 HB2 ALA 13 2HB ALA 13 1.772 13.939 0.765
105 HB3 ALA 13 3HB ALA 13 0.653 14.837 1.791
106 H LYS 14 H LYS 14 2.841 13.456 3.442
107 HA LYS 14 HA LYS 14 1.375 14.455 5.666
108 HB2 LYS 14 2HB LYS 14 2.999 12.004 5.117
109 HB3 LYS 14 3HB LYS 14 2.548 12.373 6.777
110 HG2 LYS 14 2HG LYS 14 0.546 12.199 4.543
111 HG3 LYS 14 3HG LYS 14 1.018 10.812 5.528
112 HD2 LYS 14 2HD LYS 14 0.153 11.795 7.497
113 HD3 LYS 14 3HD LYS 14 -0.000 13.376 6.729
114 HE2 LYS 14 2HE LYS 14 -1.668 12.305 5.159
115 HE3 LYS 14 3HE LYS 14 -1.637 10.901 6.224
116 HZ1 LYS 14 1HZ LYS 14 -3.467 12.452 6.708
117 HZ2 LYS 14 2HZ LYS 14 -2.338 13.651 7.094
118 HZ3 LYS 14 3HZ LYS 14 -2.428 12.243 8.027
119 H ASN 15 H ASN 15 4.836 13.933 5.065
120 HA ASN 15 HA ASN 15 5.785 14.701 7.575
121 HB2 ASN 15 2HB ASN 15 7.244 13.607 5.991
122 HB3 ASN 15 3HB ASN 15 7.073 14.938 4.849
123 HD21 ASN 15 1HD2 ASN 15 7.686 14.857 8.338
124 HD22 ASN 15 2HD2 ASN 15 9.159 15.759 8.273
125 H ILE 16 H ILE 16 4.462 16.577 5.019
126 HA ILE 16 HA ILE 16 5.675 19.069 5.727
127 HB ILE 16 HB ILE 16 3.255 18.422 4.048
128 HG12 ILE 16 2HG1 ILE 16 5.755 19.670 3.005
129 HG13 ILE 16 3HG1 ILE 16 5.797 17.958 3.413
130 HG21 ILE 16 1HG2 ILE 16 2.857 20.594 4.929
131 HG22 ILE 16 2HG2 ILE 16 4.528 21.081 4.650
132 HG23 ILE 16 3HG2 ILE 16 3.450 20.805 3.282
133 HD11 ILE 16 1HD1 ILE 16 4.603 17.386 1.617
134 HD12 ILE 16 2HD1 ILE 16 3.494 18.746 1.798
135 HD13 ILE 16 3HD1 ILE 16 5.054 18.980 1.011
136 H THR 17 H THR 17 2.402 17.732 6.178
137 HA THR 17 HA THR 17 1.607 19.896 7.893
138 HB THR 17 HB THR 17 0.066 17.353 7.894
139 HG1 THR 17 HG1 THR 17 -0.821 18.183 5.781
140 HG21 THR 17 1HG2 THR 17 -1.577 19.456 7.202
141 HG22 THR 17 2HG2 THR 17 -0.381 20.212 8.255
142 HG23 THR 17 3HG2 THR 17 -1.324 18.838 8.833
143 H GLU 18 H GLU 18 3.165 16.861 8.314
144 HA GLU 18 HA GLU 18 2.434 16.512 11.073
145 HB2 GLU 18 2HB GLU 18 4.395 15.168 9.234
146 HB3 GLU 18 3HB GLU 18 4.386 14.820 10.957
147 HG2 GLU 18 2HG GLU 18 1.755 14.671 9.689
148 HG3 GLU 18 3HG GLU 18 2.926 13.503 9.080
149 H ARG 19 H ARG 19 5.190 17.812 9.302
150 HA ARG 19 HA ARG 19 6.856 18.183 11.573
151 HB2 ARG 19 2HB ARG 19 7.589 18.100 9.145
152 HB3 ARG 19 3HB ARG 19 6.982 19.743 8.994
153 HG2 ARG 19 2HG ARG 19 8.626 19.784 11.243
154 HG3 ARG 19 3HG ARG 19 9.484 18.801 10.055
155 HD2 ARG 19 2HD ARG 19 9.166 20.605 8.393
156 HD3 ARG 19 3HD ARG 19 8.408 21.588 9.645
157 HE ARG 19 HE ARG 19 10.964 20.727 10.490
158 HH11 ARG 19 1HH1 ARG 19 10.719 24.092 8.334
159 HH12 ARG 19 2HH1 ARG 19 9.410 22.956 8.312
160 HH21 ARG 19 1HH2 ARG 19 12.585 23.669 9.593
161 HH22 ARG 19 2HH2 ARG 19 12.692 22.215 10.526
162 H VAL 20 H VAL 20 4.744 20.372 9.736
163 HA VAL 20 HA VAL 20 5.251 22.730 11.099
164 HB VAL 20 HB VAL 20 3.906 22.759 9.107
165 HG11 VAL 20 1HG1 VAL 20 1.705 21.377 10.626
166 HG12 VAL 20 2HG1 VAL 20 1.753 21.772 8.907
167 HG13 VAL 20 3HG1 VAL 20 2.826 20.533 9.559
168 HG21 VAL 20 1HG2 VAL 20 2.874 24.597 9.812
169 HG22 VAL 20 2HG2 VAL 20 1.714 23.647 10.741
170 HG23 VAL 20 3HG2 VAL 20 3.250 24.119 11.468
171 H SER 21 H SER 21 2.896 20.186 11.863
172 HA SER 21 HA SER 21 1.776 21.480 14.111
173 HB2 SER 21 2HB SER 21 1.293 19.121 12.695
174 HB3 SER 21 3HB SER 21 1.720 18.583 14.319
175 HG SER 21 HG SER 21 -0.209 19.162 14.877
176 H MET 22 H MET 22 4.503 19.292 13.712
177 HA MET 22 HA MET 22 4.987 18.660 16.381
178 HB2 MET 22 2HB MET 22 6.125 17.846 14.161
179 HB3 MET 22 3HB MET 22 7.265 19.142 14.500
180 HG2 MET 22 2HG MET 22 7.852 18.158 16.602
181 HG3 MET 22 3HG MET 22 6.590 16.940 16.433
182 HE1 MET 22 1HE MET 22 8.985 18.094 13.405
183 HE2 MET 22 2HE MET 22 9.796 18.431 14.934
184 HE3 MET 22 3HE MET 22 10.410 17.165 13.871
185 H ALA 23 H ALA 23 6.052 21.441 14.469
186 HA ALA 23 HA ALA 23 7.680 22.578 16.497
187 HB1 ALA 23 1HB ALA 23 7.710 24.567 15.107
188 HB2 ALA 23 2HB ALA 23 7.930 23.125 14.115
189 HB3 ALA 23 3HB ALA 23 6.367 23.942 14.149
190 H THR 24 H THR 24 4.432 23.464 15.316
191 HA THR 24 HA THR 24 3.887 25.487 17.129
192 HB THR 24 HB THR 24 1.433 24.204 16.774
193 HG1 THR 24 HG1 THR 24 2.684 24.133 14.258
194 HG21 THR 24 1HG2 THR 24 1.149 26.359 16.242
195 HG22 THR 24 2HG2 THR 24 1.693 25.925 14.621
196 HG23 THR 24 3HG2 THR 24 2.845 26.551 15.800
197 H ALA 25 H ALA 25 3.254 22.005 17.435
198 HA ALA 25 HA ALA 25 2.016 22.145 19.971
199 HB1 ALA 25 1HB ALA 25 3.517 19.791 18.840
200 HB2 ALA 25 2HB ALA 25 2.228 19.769 20.044
201 HB3 ALA 25 3HB ALA 25 1.870 20.224 18.378
202 H SER 26 H SER 26 5.303 22.321 18.981
203 HA SER 26 HA SER 26 6.283 21.712 21.671
204 HB2 SER 26 2HB SER 26 7.750 22.201 19.070
205 HB3 SER 26 3HB SER 26 8.542 21.881 20.613
206 HG SER 26 HG SER 26 8.085 19.838 20.409
207 H SER 27 H SER 27 5.216 24.334 19.936
208 HA SER 27 HA SER 27 6.951 26.203 21.408
209 HB2 SER 27 2HB SER 27 6.970 26.399 18.916
210 HB3 SER 27 3HB SER 27 5.251 26.788 18.973
211 HG SER 27 HG SER 27 5.991 28.756 19.160
212 H GLN 28 H GLN 28 3.971 24.803 21.525
213 HA GLN 28 HA GLN 28 2.084 25.214 22.727
214 HB2 GLN 28 2HB GLN 28 3.957 26.090 24.336
215 HB3 GLN 28 3HB GLN 28 3.314 27.672 23.916
216 HG2 GLN 28 2HG GLN 28 1.695 27.428 25.395
217 HG3 GLN 28 3HG GLN 28 1.137 25.972 24.572
218 HE21 GLN 28 1HE2 GLN 28 1.514 26.858 27.473
219 HE22 GLN 28 2HE2 GLN 28 2.325 25.518 28.202
220 H VAL 29 H VAL 29 1.709 25.938 20.282
221 HA VAL 29 HA VAL 29 0.444 28.595 20.426
222 HB VAL 29 HB VAL 29 1.538 27.463 17.863
223 HG11 VAL 29 1HG1 VAL 29 -0.190 29.457 18.200
224 HG12 VAL 29 2HG1 VAL 29 1.307 30.364 18.429
225 HG13 VAL 29 3HG1 VAL 29 1.034 29.474 16.931
226 HG21 VAL 29 1HG2 VAL 29 3.454 27.614 19.278
227 HG22 VAL 29 2HG2 VAL 29 3.477 29.013 18.204
228 HG23 VAL 29 3HG2 VAL 29 2.957 29.196 19.879
229 H LEU 30 H LEU 30 -0.831 26.170 21.072
230 HA LEU 30 HA LEU 30 -2.783 26.007 18.877
231 HB2 LEU 30 2HB LEU 30 -1.776 23.736 20.583
232 HB3 LEU 30 3HB LEU 30 -3.129 23.626 19.459
233 HG LEU 30 HG LEU 30 -1.313 24.413 17.719
234 HD11 LEU 30 1HD1 LEU 30 0.677 24.686 18.720
235 HD12 LEU 30 2HD1 LEU 30 0.774 22.929 18.605
236 HD13 LEU 30 3HD1 LEU 30 0.236 23.686 20.104
237 HD21 LEU 30 1HD2 LEU 30 -2.512 22.354 17.504
238 HD22 LEU 30 2HD2 LEU 30 -1.601 21.625 18.826
239 HD23 LEU 30 3HD2 LEU 30 -0.794 22.009 17.306
240 H ILE 31 H ILE 31 -2.903 27.718 21.132
241 HA ILE 31 HA ILE 31 -5.385 26.735 22.319
242 HB ILE 31 HB ILE 31 -4.739 27.455 24.568
243 HG12 ILE 31 2HG1 ILE 31 -2.080 27.633 24.769
244 HG13 ILE 31 3HG1 ILE 31 -2.257 28.260 23.133
245 HG21 ILE 31 1HG2 ILE 31 -4.227 25.106 23.483
246 HG22 ILE 31 2HG2 ILE 31 -2.559 25.588 23.792
247 HG23 ILE 31 3HG2 ILE 31 -3.710 25.491 25.125
248 HD11 ILE 31 1HD1 ILE 31 -4.046 29.393 25.189
249 HD12 ILE 31 2HD1 ILE 31 -2.334 29.803 25.297
250 HD13 ILE 31 3HD1 ILE 31 -3.237 30.169 23.828
251 HA PRO 32 HA PRO 32 -6.786 30.843 21.649
252 HB2 PRO 32 2HB PRO 32 -8.641 31.074 23.617
253 HB3 PRO 32 3HB PRO 32 -8.887 30.078 22.178
254 HG2 PRO 32 2HG PRO 32 -8.038 29.256 24.928
255 HG3 PRO 32 3HG PRO 32 -9.198 28.478 23.836
256 HD2 PRO 32 2HD PRO 32 -6.658 27.589 24.136
257 HD3 PRO 32 3HD PRO 32 -7.542 27.454 22.603
258 H GLU 33 H GLU 33 -6.755 32.978 22.490
259 HA GLU 33 HA GLU 33 -6.041 33.637 25.133
260 HB2 GLU 33 2HB GLU 33 -3.755 34.134 25.011
261 HB3 GLU 33 3HB GLU 33 -3.892 32.570 24.221
262 HG2 GLU 33 2HG GLU 33 -4.022 33.876 22.036
263 HG3 GLU 33 3HG GLU 33 -3.465 35.261 22.974
264 H ILE 34 H ILE 34 -6.029 34.500 21.734
265 HA ILE 34 HA ILE 34 -7.446 36.907 22.187
266 HB ILE 34 HB ILE 34 -5.286 37.742 22.951
267 HG12 ILE 34 2HG1 ILE 34 -5.462 39.012 20.277
268 HG13 ILE 34 3HG1 ILE 34 -6.945 38.978 21.224
269 HG21 ILE 34 1HG2 ILE 34 -4.024 37.548 20.292
270 HG22 ILE 34 2HG2 ILE 34 -3.311 37.431 21.901
271 HG23 ILE 34 3HG2 ILE 34 -4.151 36.045 21.206
272 HD11 ILE 34 1HD1 ILE 34 -5.825 41.041 21.632
273 HD12 ILE 34 2HD1 ILE 34 -5.700 40.050 23.086
274 HD13 ILE 34 3HD1 ILE 34 -4.316 40.207 22.005
275 H ASN 35 H ASN 35 -5.358 35.041 20.052
276 HA ASN 35 HA ASN 35 -7.222 34.907 17.974
277 HB2 ASN 35 2HB ASN 35 -6.147 37.413 18.013
278 HB3 ASN 35 3HB ASN 35 -5.044 36.588 16.915
279 HD21 ASN 35 1HD2 ASN 35 -5.585 36.721 14.873
280 HD22 ASN 35 2HD2 ASN 35 -7.189 36.867 14.245
281 H LEU 36 H LEU 36 -5.344 33.260 19.393
282 HA LEU 36 HA LEU 36 -3.113 32.648 17.733
283 HB2 LEU 36 2HB LEU 36 -3.089 32.110 20.087
284 HB3 LEU 36 3HB LEU 36 -4.488 31.055 19.891
285 HG LEU 36 HG LEU 36 -2.047 30.406 18.328
286 HD11 LEU 36 1HD1 LEU 36 -1.553 29.005 20.572
287 HD12 LEU 36 2HD1 LEU 36 -2.166 30.504 21.269
288 HD13 LEU 36 3HD1 LEU 36 -0.777 30.540 20.182
289 HD21 LEU 36 1HD2 LEU 36 -2.855 28.097 19.221
290 HD22 LEU 36 2HD2 LEU 36 -3.750 28.902 17.932
291 HD23 LEU 36 3HD2 LEU 36 -4.342 28.971 19.593
292 H ASN 37 H ASN 37 -6.382 31.363 18.046
293 HA ASN 37 HA ASN 37 -6.128 29.090 16.455
294 HB2 ASN 37 2HB ASN 37 -8.138 29.999 17.879
295 HB3 ASN 37 3HB ASN 37 -8.628 30.739 16.358
296 HD21 ASN 37 1HD2 ASN 37 -9.314 28.265 18.212
297 HD22 ASN 37 2HD2 ASN 37 -9.694 27.052 17.042
298 H ASP 38 H ASP 38 -7.072 32.390 15.520
299 HA ASP 38 HA ASP 38 -7.464 31.922 12.801
300 HB2 ASP 38 2HB ASP 38 -6.742 34.342 14.410
301 HB3 ASP 38 3HB ASP 38 -6.710 34.435 12.652
302 H THR 39 H THR 39 -4.531 32.319 14.636
303 HA THR 39 HA THR 39 -2.852 32.707 12.326
304 HB THR 39 HB THR 39 -1.307 31.833 14.550
305 HG1 THR 39 HG1 THR 39 -2.901 34.002 15.361
306 HG21 THR 39 1HG2 THR 39 -0.865 33.569 12.705
307 HG22 THR 39 2HG2 THR 39 -0.265 33.921 14.326
308 HG23 THR 39 3HG2 THR 39 -1.739 34.694 13.743
309 H PHE 40 H PHE 40 -3.316 30.083 14.693
310 HA PHE 40 HA PHE 40 -1.589 28.235 13.504
311 HB2 PHE 40 2HB PHE 40 -2.657 28.083 15.796
312 HB3 PHE 40 3HB PHE 40 -4.122 27.531 14.990
313 HD1 PHE 40 HD1 PHE 40 -0.571 26.702 14.272
314 HD2 PHE 40 HD2 PHE 40 -4.361 25.317 15.628
315 HE1 PHE 40 HE1 PHE 40 0.287 24.396 14.304
316 HE2 PHE 40 HE2 PHE 40 -3.509 23.010 15.664
317 HZ PHE 40 HZ PHE 40 -1.182 22.546 15.002
318 H ASP 41 H ASP 41 -5.052 28.792 13.006
319 HA ASP 41 HA ASP 41 -5.568 26.664 11.278
320 HB2 ASP 41 2HB ASP 41 -7.113 28.554 12.368
321 HB3 ASP 41 3HB ASP 41 -6.937 29.255 10.762
322 H THR 42 H THR 42 -4.966 30.061 10.362
323 HA THR 42 HA THR 42 -4.747 29.625 7.617
324 HB THR 42 HB THR 42 -4.773 31.851 9.084
325 HG1 THR 42 HG1 THR 42 -4.799 32.710 7.142
326 HG21 THR 42 1HG2 THR 42 -1.922 31.879 8.168
327 HG22 THR 42 2HG2 THR 42 -2.335 31.248 9.762
328 HG23 THR 42 3HG2 THR 42 -2.727 32.915 9.344
329 H PHE 43 H PHE 43 -2.534 28.936 10.161
330 HA PHE 43 HA PHE 43 -0.159 28.911 8.563
331 HB2 PHE 43 2HB PHE 43 -0.219 29.207 11.066
332 HB3 PHE 43 3HB PHE 43 -0.616 27.496 11.193
333 HD1 PHE 43 HD1 PHE 43 1.278 26.707 12.334
334 HD2 PHE 43 HD2 PHE 43 1.745 29.021 8.792
335 HE1 PHE 43 HE1 PHE 43 3.674 26.150 12.289
336 HE2 PHE 43 HE2 PHE 43 4.141 28.467 8.741
337 HZ PHE 43 HZ PHE 43 5.109 27.028 10.490
338 H ALA 44 H ALA 44 -2.204 26.346 9.953
339 HA ALA 44 HA ALA 44 -0.837 24.227 8.652
340 HB1 ALA 44 1HB ALA 44 -3.471 23.400 9.217
341 HB2 ALA 44 2HB ALA 44 -2.007 23.085 10.150
342 HB3 ALA 44 3HB ALA 44 -2.991 24.504 10.506
343 H LEU 45 H LEU 45 -3.888 25.913 7.954
344 HA LEU 45 HA LEU 45 -4.803 24.491 5.806
345 HB2 LEU 45 2HB LEU 45 -6.236 26.165 6.371
346 HB3 LEU 45 3HB LEU 45 -4.943 27.339 6.608
347 HG LEU 45 HG LEU 45 -4.764 27.666 4.209
348 HD11 LEU 45 1HD1 LEU 45 -6.887 26.549 2.987
349 HD12 LEU 45 2HD1 LEU 45 -6.499 25.287 4.156
350 HD13 LEU 45 3HD1 LEU 45 -5.276 25.832 3.008
351 HD21 LEU 45 1HD2 LEU 45 -6.343 29.212 4.390
352 HD22 LEU 45 2HD2 LEU 45 -6.958 28.384 5.821
353 HD23 LEU 45 3HD2 LEU 45 -7.604 27.990 4.228
354 H ASP 46 H ASP 46 -2.676 27.346 5.555
355 HA ASP 46 HA ASP 46 -2.177 27.285 2.854
356 HB2 ASP 46 2HB ASP 46 -1.227 28.747 4.968
357 HB3 ASP 46 3HB ASP 46 0.215 27.874 4.457
358 H PHE 47 H PHE 47 -0.393 25.561 5.400
359 HA PHE 47 HA PHE 47 1.533 24.358 3.791
360 HB2 PHE 47 2HB PHE 47 0.487 23.992 6.487
361 HB3 PHE 47 3HB PHE 47 1.001 22.474 5.759
362 HD1 PHE 47 HD1 PHE 47 3.318 23.031 4.252
363 HD2 PHE 47 HD2 PHE 47 2.077 24.795 7.922
364 HE1 PHE 47 HE1 PHE 47 5.659 23.570 4.781
365 HE2 PHE 47 HE2 PHE 47 4.417 25.337 8.456
366 HZ PHE 47 HZ PHE 47 6.212 24.725 6.884
367 H SER 48 H SER 48 -1.591 23.021 4.866
368 HA SER 48 HA SER 48 -1.486 20.584 3.575
369 HB2 SER 48 2HB SER 48 -3.320 21.729 5.131
370 HB3 SER 48 3HB SER 48 -4.095 22.031 3.576
371 HG SER 48 HG SER 48 -4.823 20.067 4.052
372 H ARG 49 H ARG 49 -2.583 23.704 2.300
373 HA ARG 49 HA ARG 49 -3.594 22.974 -0.137
374 HB2 ARG 49 2HB ARG 49 -3.210 25.328 0.973
375 HB3 ARG 49 3HB ARG 49 -1.752 25.327 -0.010
376 HG2 ARG 49 2HG ARG 49 -4.287 24.638 -1.369
377 HG3 ARG 49 3HG ARG 49 -4.069 26.314 -0.862
378 HD2 ARG 49 2HD ARG 49 -1.664 25.827 -1.987
379 HD3 ARG 49 3HD ARG 49 -2.686 24.764 -2.954
380 HE ARG 49 HE ARG 49 -2.585 27.609 -3.069
381 HH11 ARG 49 1HH1 ARG 49 -5.778 25.683 -4.524
382 HH12 ARG 49 2HH1 ARG 49 -4.701 24.870 -3.437
383 HH21 ARG 49 1HH2 ARG 49 -5.374 27.855 -5.129
384 HH22 ARG 49 2HH2 ARG 49 -3.994 28.690 -4.500
385 H GLU 50 H GLU 50 -0.185 23.426 0.720
386 HA GLU 50 HA GLU 50 0.725 22.766 -1.933
387 HB2 GLU 50 2HB GLU 50 1.859 24.286 -0.137
388 HB3 GLU 50 3HB GLU 50 2.498 22.771 0.484
389 HG2 GLU 50 2HG GLU 50 3.533 22.310 -1.671
390 HG3 GLU 50 3HG GLU 50 2.878 23.816 -2.312
391 H LYS 51 H LYS 51 -0.038 21.058 0.949
392 HA LYS 51 HA LYS 51 1.577 18.747 0.404
393 HB2 LYS 51 2HB LYS 51 0.904 18.007 2.436
394 HB3 LYS 51 3HB LYS 51 0.391 19.676 2.645
395 HG2 LYS 51 2HG LYS 51 -1.509 18.607 3.285
396 HG3 LYS 51 3HG LYS 51 -1.832 18.763 1.557
397 HD2 LYS 51 2HD LYS 51 -0.517 16.427 1.549
398 HD3 LYS 51 3HD LYS 51 -1.212 16.360 3.170
399 HE2 LYS 51 2HE LYS 51 -3.425 16.597 2.308
400 HE3 LYS 51 3HE LYS 51 -2.818 16.952 0.691
401 HZ1 LYS 51 1HZ LYS 51 -2.122 14.746 0.404
402 HZ2 LYS 51 2HZ LYS 51 -3.662 14.626 1.092
403 HZ3 LYS 51 3HZ LYS 51 -2.288 14.374 2.046
404 H LYS 52 H LYS 52 -1.594 19.851 -0.461
405 HA LYS 52 HA LYS 52 -2.571 17.266 -1.266
406 HB2 LYS 52 2HB LYS 52 -4.203 18.856 -0.549
407 HB3 LYS 52 3HB LYS 52 -3.600 20.074 -1.665
408 HG2 LYS 52 2HG LYS 52 -5.672 19.165 -2.485
409 HG3 LYS 52 3HG LYS 52 -4.349 18.686 -3.552
410 HD2 LYS 52 2HD LYS 52 -4.308 16.483 -2.623
411 HD3 LYS 52 3HD LYS 52 -5.436 16.942 -1.346
412 HE2 LYS 52 2HE LYS 52 -6.905 17.588 -3.494
413 HE3 LYS 52 3HE LYS 52 -5.935 16.289 -4.188
414 HZ1 LYS 52 1HZ LYS 52 -6.697 14.799 -2.503
415 HZ2 LYS 52 2HZ LYS 52 -8.053 15.533 -3.199
416 HZ3 LYS 52 3HZ LYS 52 -7.505 16.038 -1.681
417 H LEU 53 H LEU 53 -1.426 20.183 -2.942
418 HA LEU 53 HA LEU 53 -1.700 19.112 -5.552
419 HB2 LEU 53 2HB LEU 53 -1.605 21.506 -5.132
420 HB3 LEU 53 3HB LEU 53 0.044 21.349 -4.531
421 HG LEU 53 HG LEU 53 -0.415 20.407 -7.290
422 HD11 LEU 53 1HD1 LEU 53 -1.014 23.168 -6.415
423 HD12 LEU 53 2HD1 LEU 53 -1.637 22.248 -7.785
424 HD13 LEU 53 3HD1 LEU 53 -0.035 22.981 -7.870
425 HD21 LEU 53 1HD2 LEU 53 1.796 20.554 -7.255
426 HD22 LEU 53 2HD2 LEU 53 1.735 21.202 -5.616
427 HD23 LEU 53 3HD2 LEU 53 1.681 22.296 -6.999
428 H LEU 54 H LEU 54 0.644 18.696 -3.085
429 HA LEU 54 HA LEU 54 2.740 17.833 -4.898
430 HB2 LEU 54 2HB LEU 54 3.394 19.032 -2.916
431 HB3 LEU 54 3HB LEU 54 2.548 17.875 -1.891
432 HG LEU 54 HG LEU 54 5.099 17.735 -2.011
433 HD11 LEU 54 1HD1 LEU 54 4.701 15.772 -1.068
434 HD12 LEU 54 2HD1 LEU 54 4.415 15.050 -2.651
435 HD13 LEU 54 3HD1 LEU 54 3.077 15.774 -1.758
436 HD21 LEU 54 1HD2 LEU 54 4.866 15.992 -4.359
437 HD22 LEU 54 2HD2 LEU 54 6.149 17.109 -3.894
438 HD23 LEU 54 3HD2 LEU 54 4.700 17.714 -4.698
439 H GLU 55 H GLU 55 0.184 16.456 -3.013
440 HA GLU 55 HA GLU 55 1.175 13.820 -2.791
441 HB2 GLU 55 2HB GLU 55 -0.634 14.448 -1.380
442 HB3 GLU 55 3HB GLU 55 -1.614 14.959 -2.747
443 HG2 GLU 55 2HG GLU 55 -0.844 12.178 -2.955
444 HG3 GLU 55 3HG GLU 55 -1.712 12.517 -1.458
445 H CYS 56 H CYS 56 -1.177 15.222 -5.075
446 HA CYS 56 HA CYS 56 -0.341 13.201 -7.038
447 HB2 CYS 56 2HB CYS 56 -2.453 12.425 -6.149
448 HB3 CYS 56 3HB CYS 56 -3.178 14.011 -6.380
449 HG CYS 56 HG CYS 56 -3.855 11.782 -8.271
450 H LEU 57 H LEU 57 -2.725 15.841 -7.050
451 HA LEU 57 HA LEU 57 -1.092 17.540 -8.676
452 HB2 LEU 57 2HB LEU 57 -2.885 15.643 -9.933
453 HB3 LEU 57 3HB LEU 57 -3.297 17.305 -10.349
454 HG LEU 57 HG LEU 57 -0.454 16.490 -10.611
455 HD11 LEU 57 1HD1 LEU 57 -0.880 15.565 -12.848
456 HD12 LEU 57 2HD1 LEU 57 -2.614 15.635 -12.533
457 HD13 LEU 57 3HD1 LEU 57 -1.585 14.576 -11.570
458 HD21 LEU 57 1HD2 LEU 57 -1.447 17.840 -12.863
459 HD22 LEU 57 2HD2 LEU 57 -0.430 18.488 -11.576
460 HD23 LEU 57 3HD2 LEU 57 -2.186 18.611 -11.459
461 H ASP 58 H ASP 58 -4.601 16.953 -8.457
462 HA ASP 58 HA ASP 58 -6.328 18.321 -7.879
463 HB2 ASP 58 2HB ASP 58 -5.125 17.965 -5.666
464 HB3 ASP 58 3HB ASP 58 -4.409 19.557 -5.905
465 H TYR 59 H TYR 59 -6.395 19.461 -9.846
466 HA TYR 59 HA TYR 59 -4.841 21.616 -10.604
467 HB2 TYR 59 2HB TYR 59 -6.699 20.372 -11.900
468 HB3 TYR 59 3HB TYR 59 -7.796 21.536 -11.166
469 HD1 TYR 59 HD1 TYR 59 -8.350 23.330 -12.491
470 HD2 TYR 59 HD2 TYR 59 -4.480 21.612 -12.903
471 HE1 TYR 59 HE1 TYR 59 -7.827 24.950 -14.266
472 HE2 TYR 59 HE2 TYR 59 -3.945 23.229 -14.678
473 HH TYR 59 HH TYR 59 -6.032 25.911 -15.411
474 H LEU 60 H LEU 60 -7.901 21.677 -8.787
475 HA LEU 60 HA LEU 60 -7.081 23.911 -7.226
476 HB2 LEU 60 2HB LEU 60 -7.878 24.733 -9.624
477 HB3 LEU 60 3HB LEU 60 -9.463 24.586 -8.866
478 HG LEU 60 HG LEU 60 -8.750 26.859 -8.688
479 HD11 LEU 60 1HD1 LEU 60 -8.861 27.198 -6.320
480 HD12 LEU 60 2HD1 LEU 60 -8.301 25.555 -6.010
481 HD13 LEU 60 3HD1 LEU 60 -9.886 25.824 -6.735
482 HD21 LEU 60 1HD2 LEU 60 -6.682 27.582 -7.860
483 HD22 LEU 60 2HD2 LEU 60 -6.286 26.235 -8.928
484 HD23 LEU 60 3HD2 LEU 60 -6.301 26.001 -7.179
Start of MODEL 18
1 H LEU 1 H LEU 1 3.843 1.166 2.778
2 HA LEU 1 HA LEU 1 4.029 0.314 0.630
3 HB2 LEU 1 2HB LEU 1 2.484 2.636 0.177
4 HB3 LEU 1 3HB LEU 1 3.815 2.664 -0.979
5 HG LEU 1 HG LEU 1 1.832 0.413 -0.641
6 HD11 LEU 1 1HD1 LEU 1 1.671 1.506 -3.200
7 HD12 LEU 1 2HD1 LEU 1 1.717 2.889 -2.108
8 HD13 LEU 1 3HD1 LEU 1 0.485 1.644 -1.902
9 HD21 LEU 1 1HD2 LEU 1 3.587 -0.719 -1.520
10 HD22 LEU 1 2HD2 LEU 1 4.336 0.732 -2.185
11 HD23 LEU 1 3HD2 LEU 1 2.974 -0.019 -3.018
12 H LYS 2 H LYS 2 5.776 0.212 -0.826
13 HA LYS 2 HA LYS 2 7.942 2.132 -0.269
14 HB2 LYS 2 2HB LYS 2 8.152 -0.834 -0.817
15 HB3 LYS 2 3HB LYS 2 9.523 0.258 -0.671
16 HG2 LYS 2 2HG LYS 2 9.132 0.616 1.617
17 HG3 LYS 2 3HG LYS 2 7.513 -0.082 1.531
18 HD2 LYS 2 2HD LYS 2 8.332 -2.091 2.014
19 HD3 LYS 2 3HD LYS 2 9.399 -2.015 0.610
20 HE2 LYS 2 2HE LYS 2 10.943 -2.237 2.286
21 HE3 LYS 2 3HE LYS 2 10.831 -0.480 2.193
22 HZ1 LYS 2 1HZ LYS 2 9.286 -0.509 4.043
23 HZ2 LYS 2 2HZ LYS 2 10.736 -1.264 4.478
24 HZ3 LYS 2 3HZ LYS 2 9.369 -2.197 4.126
25 H GLU 3 H GLU 3 9.012 3.000 -1.971
26 HA GLU 3 HA GLU 3 9.160 1.889 -4.550
27 HB2 GLU 3 2HB GLU 3 6.667 3.032 -4.037
28 HB3 GLU 3 3HB GLU 3 7.529 4.252 -4.963
29 HG2 GLU 3 2HG GLU 3 7.873 1.621 -6.103
30 HG3 GLU 3 3HG GLU 3 6.170 2.052 -5.956
31 H ASN 4 H ASN 4 9.731 3.749 -6.206
32 HA ASN 4 HA ASN 4 11.557 5.582 -4.798
33 HB2 ASN 4 2HB ASN 4 12.307 3.641 -6.509
34 HB3 ASN 4 3HB ASN 4 12.041 4.950 -7.656
35 HD21 ASN 4 1HD2 ASN 4 13.101 7.039 -7.081
36 HD22 ASN 4 2HD2 ASN 4 14.688 6.962 -6.404
37 H ASP 5 H ASP 5 8.823 6.204 -5.323
38 HA ASP 5 HA ASP 5 9.189 8.702 -6.696
39 HB2 ASP 5 2HB ASP 5 7.984 6.429 -8.076
40 HB3 ASP 5 3HB ASP 5 6.919 7.832 -8.024
41 H HIS 6 H HIS 6 6.303 6.689 -6.176
42 HA HIS 6 HA HIS 6 4.763 8.751 -5.076
43 HB2 HIS 6 2HB HIS 6 3.928 6.560 -6.028
44 HB3 HIS 6 3HB HIS 6 4.393 5.808 -4.505
45 HD1 HIS 6 HD1 HIS 6 2.613 9.126 -4.976
46 HD2 HIS 6 HD2 HIS 6 1.961 5.349 -3.373
47 HE1 HIS 6 HE1 HIS 6 0.385 9.263 -3.817
48 H ALA 7 H ALA 7 6.864 6.365 -3.567
49 HA ALA 7 HA ALA 7 6.135 6.678 -0.905
50 HB1 ALA 7 1HB ALA 7 8.573 5.785 -2.322
51 HB2 ALA 7 2HB ALA 7 8.751 6.219 -0.621
52 HB3 ALA 7 3HB ALA 7 7.605 4.965 -1.096
53 H ARG 8 H ARG 8 8.703 8.404 -2.680
54 HA ARG 8 HA ARG 8 9.460 10.113 -0.605
55 HB2 ARG 8 2HB ARG 8 10.883 9.919 -2.507
56 HB3 ARG 8 3HB ARG 8 9.600 10.420 -3.601
57 HG2 ARG 8 2HG ARG 8 11.187 12.209 -3.317
58 HG3 ARG 8 3HG ARG 8 9.644 12.661 -2.592
59 HD2 ARG 8 2HD ARG 8 10.462 12.570 -0.459
60 HD3 ARG 8 3HD ARG 8 11.670 11.351 -0.861
61 HE ARG 8 HE ARG 8 11.974 14.210 -0.999
62 HH11 ARG 8 1HH1 ARG 8 14.703 11.737 -2.569
63 HH12 ARG 8 2HH1 ARG 8 13.132 11.136 -2.151
64 HH21 ARG 8 1HH2 ARG 8 15.217 13.942 -2.224
65 HH22 ARG 8 2HH2 ARG 8 14.037 15.013 -1.546
66 H PHE 9 H PHE 9 7.087 10.585 -3.203
67 HA PHE 9 HA PHE 9 6.365 13.213 -2.590
68 HB2 PHE 9 2HB PHE 9 5.192 10.986 -4.130
69 HB3 PHE 9 3HB PHE 9 4.037 12.186 -3.558
70 HD1 PHE 9 HD1 PHE 9 7.512 13.002 -4.413
71 HD2 PHE 9 HD2 PHE 9 3.463 13.012 -5.724
72 HE1 PHE 9 HE1 PHE 9 8.125 14.478 -6.285
73 HE2 PHE 9 HE2 PHE 9 4.069 14.486 -7.598
74 HZ PHE 9 HZ PHE 9 6.402 15.220 -7.881
75 H LEU 10 H LEU 10 5.163 10.141 -1.331
76 HA LEU 10 HA LEU 10 3.076 11.290 0.230
77 HB2 LEU 10 2HB LEU 10 3.831 8.739 -0.517
78 HB3 LEU 10 3HB LEU 10 4.119 8.763 1.221
79 HG LEU 10 HG LEU 10 1.512 9.843 0.475
80 HD11 LEU 10 1HD1 LEU 10 0.531 8.062 -0.530
81 HD12 LEU 10 2HD1 LEU 10 1.644 6.898 0.189
82 HD13 LEU 10 3HD1 LEU 10 2.156 7.871 -1.189
83 HD21 LEU 10 1HD2 LEU 10 0.949 7.927 2.173
84 HD22 LEU 10 2HD2 LEU 10 1.725 9.415 2.718
85 HD23 LEU 10 3HD2 LEU 10 2.689 7.960 2.462
86 H GLN 11 H GLN 11 6.215 9.864 1.150
87 HA GLN 11 HA GLN 11 6.124 10.541 3.850
88 HB2 GLN 11 2HB GLN 11 7.896 9.223 2.231
89 HB3 GLN 11 3HB GLN 11 8.796 10.678 2.639
90 HG2 GLN 11 2HG GLN 11 8.436 10.211 5.022
91 HG3 GLN 11 3HG GLN 11 7.590 8.727 4.587
92 HE21 GLN 11 1HE2 GLN 11 8.750 6.942 4.506
93 HE22 GLN 11 2HE2 GLN 11 10.469 6.854 4.368
94 H THR 12 H THR 12 6.919 12.461 1.058
95 HA THR 12 HA THR 12 8.152 14.599 2.514
96 HB THR 12 HB THR 12 7.146 14.348 -0.314
97 HG1 THR 12 HG1 THR 12 9.444 14.664 -0.681
98 HG21 THR 12 1HG2 THR 12 8.268 16.787 1.063
99 HG22 THR 12 2HG2 THR 12 6.714 16.633 0.243
100 HG23 THR 12 3HG2 THR 12 8.210 16.592 -0.688
101 H ALA 13 H ALA 13 5.044 14.342 0.776
102 HA ALA 13 HA ALA 13 3.946 16.760 1.515
103 HB1 ALA 13 1HB ALA 13 2.432 15.896 0.133
104 HB2 ALA 13 2HB ALA 13 2.964 14.247 0.466
105 HB3 ALA 13 3HB ALA 13 1.785 15.024 1.523
106 H LYS 14 H LYS 14 4.091 13.753 3.339
107 HA LYS 14 HA LYS 14 2.388 14.659 5.453
108 HB2 LYS 14 2HB LYS 14 3.722 12.227 4.716
109 HB3 LYS 14 3HB LYS 14 4.075 12.593 6.399
110 HG2 LYS 14 2HG LYS 14 2.136 11.636 6.890
111 HG3 LYS 14 3HG LYS 14 1.358 13.054 6.182
112 HD2 LYS 14 2HD LYS 14 1.718 11.743 3.938
113 HD3 LYS 14 3HD LYS 14 1.806 10.345 5.011
114 HE2 LYS 14 2HE LYS 14 -0.396 10.384 5.421
115 HE3 LYS 14 3HE LYS 14 -0.422 12.137 5.607
116 HZ1 LYS 14 1HZ LYS 14 -1.305 12.313 3.601
117 HZ2 LYS 14 2HZ LYS 14 -1.323 10.629 3.443
118 HZ3 LYS 14 3HZ LYS 14 0.014 11.515 2.904
119 H ASN 15 H ASN 15 5.901 14.297 5.068
120 HA ASN 15 HA ASN 15 6.675 15.106 7.616
121 HB2 ASN 15 2HB ASN 15 8.164 14.120 5.846
122 HB3 ASN 15 3HB ASN 15 8.174 15.694 5.056
123 HD21 ASN 15 1HD2 ASN 15 10.105 16.539 5.367
124 HD22 ASN 15 2HD2 ASN 15 10.936 16.636 6.879
125 H ILE 16 H ILE 16 5.477 16.954 4.947
126 HA ILE 16 HA ILE 16 6.461 19.494 5.785
127 HB ILE 16 HB ILE 16 4.141 18.805 3.978
128 HG12 ILE 16 2HG1 ILE 16 6.739 19.940 3.038
129 HG13 ILE 16 3HG1 ILE 16 6.673 18.230 3.448
130 HG21 ILE 16 1HG2 ILE 16 4.493 21.175 3.165
131 HG22 ILE 16 2HG2 ILE 16 3.748 21.000 4.753
132 HG23 ILE 16 3HG2 ILE 16 5.452 21.433 4.622
133 HD11 ILE 16 1HD1 ILE 16 5.680 17.741 1.532
134 HD12 ILE 16 2HD1 ILE 16 4.452 18.984 1.775
135 HD13 ILE 16 3HD1 ILE 16 5.995 19.401 1.030
136 H THR 17 H THR 17 3.216 18.021 5.945
137 HA THR 17 HA THR 17 2.164 20.092 7.603
138 HB THR 17 HB THR 17 0.825 17.447 7.610
139 HG1 THR 17 HG1 THR 17 0.537 17.350 5.495
140 HG21 THR 17 1HG2 THR 17 -0.948 19.297 6.694
141 HG22 THR 17 2HG2 THR 17 0.138 20.305 7.651
142 HG23 THR 17 3HG2 THR 17 -0.677 18.932 8.398
143 H GLU 18 H GLU 18 4.014 17.281 8.198
144 HA GLU 18 HA GLU 18 3.128 16.922 10.925
145 HB2 GLU 18 2HB GLU 18 5.263 15.657 9.227
146 HB3 GLU 18 3HB GLU 18 5.186 15.358 10.958
147 HG2 GLU 18 2HG GLU 18 2.686 14.987 9.428
148 HG3 GLU 18 3HG GLU 18 3.974 13.815 9.157
149 H ARG 19 H ARG 19 5.699 18.559 9.228
150 HA ARG 19 HA ARG 19 7.280 19.051 11.576
151 HB2 ARG 19 2HB ARG 19 8.083 18.939 9.129
152 HB3 ARG 19 3HB ARG 19 7.480 20.585 8.997
153 HG2 ARG 19 2HG ARG 19 9.010 20.670 11.279
154 HG3 ARG 19 3HG ARG 19 9.913 19.581 10.224
155 HD2 ARG 19 2HD ARG 19 9.736 21.297 8.423
156 HD3 ARG 19 3HD ARG 19 9.008 22.387 9.602
157 HE ARG 19 HE ARG 19 11.086 22.762 10.487
158 HH11 ARG 19 1HH1 ARG 19 12.926 19.791 8.534
159 HH12 ARG 19 2HH1 ARG 19 11.201 19.938 8.455
160 HH21 ARG 19 1HH2 ARG 19 14.151 21.293 9.755
161 HH22 ARG 19 2HH2 ARG 19 13.357 22.579 10.599
162 H VAL 20 H VAL 20 4.808 20.752 9.763
163 HA VAL 20 HA VAL 20 5.160 23.282 11.007
164 HB VAL 20 HB VAL 20 3.996 23.114 8.884
165 HG11 VAL 20 1HG1 VAL 20 1.802 22.103 8.681
166 HG12 VAL 20 2HG1 VAL 20 2.965 20.909 9.260
167 HG13 VAL 20 3HG1 VAL 20 1.827 21.651 10.385
168 HG21 VAL 20 1HG2 VAL 20 3.421 25.035 10.150
169 HG22 VAL 20 2HG2 VAL 20 1.913 24.401 9.490
170 HG23 VAL 20 3HG2 VAL 20 2.326 24.114 11.181
171 H SER 21 H SER 21 3.154 20.468 11.708
172 HA SER 21 HA SER 21 1.608 21.680 13.752
173 HB2 SER 21 2HB SER 21 0.711 19.708 12.799
174 HB3 SER 21 3HB SER 21 2.209 18.811 13.044
175 HG SER 21 HG SER 21 0.278 19.589 14.948
176 H MET 22 H MET 22 4.425 19.503 13.887
177 HA MET 22 HA MET 22 4.725 19.412 16.645
178 HB2 MET 22 2HB MET 22 5.961 18.035 14.935
179 HB3 MET 22 3HB MET 22 6.998 19.428 14.658
180 HG2 MET 22 2HG MET 22 7.645 19.371 17.042
181 HG3 MET 22 3HG MET 22 6.685 17.906 17.232
182 HE1 MET 22 1HE MET 22 9.906 19.532 15.827
183 HE2 MET 22 2HE MET 22 10.561 18.281 14.770
184 HE3 MET 22 3HE MET 22 9.084 19.134 14.318
185 H ALA 23 H ALA 23 5.988 21.763 14.320
186 HA ALA 23 HA ALA 23 7.615 23.239 16.033
187 HB1 ALA 23 1HB ALA 23 7.873 23.768 13.798
188 HB2 ALA 23 2HB ALA 23 6.136 23.904 13.521
189 HB3 ALA 23 3HB ALA 23 6.989 25.166 14.410
190 H THR 24 H THR 24 4.187 23.747 15.215
191 HA THR 24 HA THR 24 3.718 26.012 16.742
192 HB THR 24 HB THR 24 1.504 24.084 16.806
193 HG1 THR 24 HG1 THR 24 2.128 24.986 14.230
194 HG21 THR 24 1HG2 THR 24 0.619 26.146 17.006
195 HG22 THR 24 2HG2 THR 24 0.745 26.189 15.247
196 HG23 THR 24 3HG2 THR 24 2.005 26.921 16.241
197 H ALA 25 H ALA 25 3.454 22.600 17.698
198 HA ALA 25 HA ALA 25 2.603 23.108 20.348
199 HB1 ALA 25 1HB ALA 25 2.221 20.929 20.164
200 HB2 ALA 25 2HB ALA 25 3.263 20.814 18.745
201 HB3 ALA 25 3HB ALA 25 3.954 20.660 20.360
202 H SER 26 H SER 26 5.591 23.549 18.841
203 HA SER 26 HA SER 26 7.122 23.221 21.309
204 HB2 SER 26 2HB SER 26 7.743 22.797 18.622
205 HB3 SER 26 3HB SER 26 8.622 24.265 19.049
206 HG SER 26 HG SER 26 9.818 22.348 19.489
207 H SER 27 H SER 27 6.366 25.710 18.892
208 HA SER 27 HA SER 27 7.743 27.820 20.132
209 HB2 SER 27 2HB SER 27 7.085 28.137 17.874
210 HB3 SER 27 3HB SER 27 5.400 27.759 18.231
211 HG SER 27 HG SER 27 6.152 30.087 18.005
212 H GLN 28 H GLN 28 4.894 26.200 21.027
213 HA GLN 28 HA GLN 28 3.491 26.453 22.804
214 HB2 GLN 28 2HB GLN 28 5.717 27.348 23.832
215 HB3 GLN 28 3HB GLN 28 4.949 28.923 23.674
216 HG2 GLN 28 2HG GLN 28 3.197 28.319 25.141
217 HG3 GLN 28 3HG GLN 28 3.664 26.619 25.108
218 HE21 GLN 28 1HE2 GLN 28 5.884 26.160 25.934
219 HE22 GLN 28 2HE2 GLN 28 6.412 27.042 27.323
220 H VAL 29 H VAL 29 2.284 27.186 20.702
221 HA VAL 29 HA VAL 29 1.186 29.877 21.203
222 HB VAL 29 HB VAL 29 1.196 28.474 18.533
223 HG11 VAL 29 1HG1 VAL 29 -0.465 30.035 18.358
224 HG12 VAL 29 2HG1 VAL 29 0.274 31.116 19.541
225 HG13 VAL 29 3HG1 VAL 29 0.924 31.021 17.904
226 HG21 VAL 29 1HG2 VAL 29 3.087 30.590 19.556
227 HG22 VAL 29 2HG2 VAL 29 3.496 28.912 19.196
228 HG23 VAL 29 3HG2 VAL 29 3.011 30.000 17.896
229 H LEU 30 H LEU 30 0.563 26.591 21.246
230 HA LEU 30 HA LEU 30 -2.190 26.654 20.437
231 HB2 LEU 30 2HB LEU 30 -0.523 24.603 21.875
232 HB3 LEU 30 3HB LEU 30 -2.225 24.362 21.487
233 HG LEU 30 HG LEU 30 -1.459 24.828 19.043
234 HD11 LEU 30 1HD1 LEU 30 0.966 23.616 19.062
235 HD12 LEU 30 2HD1 LEU 30 1.077 24.623 20.505
236 HD13 LEU 30 3HD1 LEU 30 0.718 25.358 18.942
237 HD21 LEU 30 1HD2 LEU 30 -1.147 22.345 20.669
238 HD22 LEU 30 2HD2 LEU 30 -0.662 22.339 18.973
239 HD23 LEU 30 3HD2 LEU 30 -2.325 22.729 19.413
240 H ILE 31 H ILE 31 -2.325 28.642 22.017
241 HA ILE 31 HA ILE 31 -3.676 27.643 24.410
242 HB ILE 31 HB ILE 31 -2.682 29.584 25.714
243 HG12 ILE 31 2HG1 ILE 31 -0.207 29.542 24.192
244 HG13 ILE 31 3HG1 ILE 31 -1.541 30.181 23.239
245 HG21 ILE 31 1HG2 ILE 31 -0.766 27.411 24.884
246 HG22 ILE 31 2HG2 ILE 31 -0.759 28.309 26.401
247 HG23 ILE 31 3HG2 ILE 31 -2.084 27.203 26.038
248 HD11 ILE 31 1HD1 ILE 31 -1.696 31.369 25.791
249 HD12 ILE 31 2HD1 ILE 31 -0.016 31.461 25.262
250 HD13 ILE 31 3HD1 ILE 31 -1.298 32.126 24.250
251 HA PRO 32 HA PRO 32 -6.747 30.617 23.410
252 HB2 PRO 32 2HB PRO 32 -7.698 31.249 25.874
253 HB3 PRO 32 3HB PRO 32 -8.017 29.697 25.090
254 HG2 PRO 32 2HG PRO 32 -5.985 30.381 27.179
255 HG3 PRO 32 3HG PRO 32 -7.039 28.959 27.066
256 HD2 PRO 32 2HD PRO 32 -4.434 28.904 26.328
257 HD3 PRO 32 3HD PRO 32 -5.673 27.913 25.532
258 H GLU 33 H GLU 33 -6.219 32.572 22.656
259 HA GLU 33 HA GLU 33 -5.196 34.566 24.562
260 HB2 GLU 33 2HB GLU 33 -3.776 33.502 22.382
261 HB3 GLU 33 3HB GLU 33 -4.293 35.104 21.874
262 HG2 GLU 33 2HG GLU 33 -2.817 34.522 24.430
263 HG3 GLU 33 3HG GLU 33 -2.058 35.057 22.932
264 H ILE 34 H ILE 34 -6.712 34.078 21.384
265 HA ILE 34 HA ILE 34 -8.862 35.810 21.895
266 HB ILE 34 HB ILE 34 -7.245 37.609 21.776
267 HG12 ILE 34 2HG1 ILE 34 -8.916 37.443 19.258
268 HG13 ILE 34 3HG1 ILE 34 -9.475 38.008 20.828
269 HG21 ILE 34 1HG2 ILE 34 -5.877 38.020 19.830
270 HG22 ILE 34 2HG2 ILE 34 -5.556 36.398 20.442
271 HG23 ILE 34 3HG2 ILE 34 -6.564 36.617 19.012
272 HD11 ILE 34 1HD1 ILE 34 -7.408 39.663 20.483
273 HD12 ILE 34 2HD1 ILE 34 -7.830 39.366 18.797
274 HD13 ILE 34 3HD1 ILE 34 -9.037 40.014 19.907
275 H ASN 35 H ASN 35 -6.721 34.413 19.470
276 HA ASN 35 HA ASN 35 -8.955 33.234 18.102
277 HB2 ASN 35 2HB ASN 35 -7.466 35.549 16.914
278 HB3 ASN 35 3HB ASN 35 -8.086 34.280 15.862
279 HD21 ASN 35 1HD2 ASN 35 -8.804 37.157 16.277
280 HD22 ASN 35 2HD2 ASN 35 -10.513 37.146 16.529
281 H LEU 36 H LEU 36 -7.197 31.760 19.269
282 HA LEU 36 HA LEU 36 -4.795 31.222 17.867
283 HB2 LEU 36 2HB LEU 36 -4.789 30.485 20.061
284 HB3 LEU 36 3HB LEU 36 -6.403 29.789 19.936
285 HG LEU 36 HG LEU 36 -5.439 27.984 18.509
286 HD11 LEU 36 1HD1 LEU 36 -2.955 29.529 19.075
287 HD12 LEU 36 2HD1 LEU 36 -3.480 28.742 17.587
288 HD13 LEU 36 3HD1 LEU 36 -2.864 27.774 18.926
289 HD21 LEU 36 1HD2 LEU 36 -5.832 27.407 20.748
290 HD22 LEU 36 2HD2 LEU 36 -4.491 28.394 21.330
291 HD23 LEU 36 3HD2 LEU 36 -4.169 26.906 20.438
292 H ASN 37 H ASN 37 -8.027 29.786 17.766
293 HA ASN 37 HA ASN 37 -7.514 27.624 16.102
294 HB2 ASN 37 2HB ASN 37 -9.942 29.331 16.557
295 HB3 ASN 37 3HB ASN 37 -9.967 28.062 15.336
296 HD21 ASN 37 1HD2 ASN 37 -11.675 28.007 17.472
297 HD22 ASN 37 2HD2 ASN 37 -11.249 26.703 18.522
298 H ASP 38 H ASP 38 -8.430 30.942 15.215
299 HA ASP 38 HA ASP 38 -8.501 30.592 12.448
300 HB2 ASP 38 2HB ASP 38 -8.377 32.847 14.307
301 HB3 ASP 38 3HB ASP 38 -7.587 33.178 12.767
302 H THR 39 H THR 39 -5.818 31.808 14.457
303 HA THR 39 HA THR 39 -3.930 32.070 12.426
304 HB THR 39 HB THR 39 -2.893 31.142 15.036
305 HG1 THR 39 HG1 THR 39 -4.096 32.438 16.183
306 HG21 THR 39 1HG2 THR 39 -1.430 32.135 13.360
307 HG22 THR 39 2HG2 THR 39 -1.512 33.167 14.788
308 HG23 THR 39 3HG2 THR 39 -2.419 33.594 13.337
309 H PHE 40 H PHE 40 -4.509 29.309 14.598
310 HA PHE 40 HA PHE 40 -2.515 27.633 13.587
311 HB2 PHE 40 2HB PHE 40 -4.009 27.358 15.682
312 HB3 PHE 40 3HB PHE 40 -5.150 26.583 14.588
313 HD1 PHE 40 HD1 PHE 40 -1.434 26.410 14.783
314 HD2 PHE 40 HD2 PHE 40 -5.137 24.330 15.064
315 HE1 PHE 40 HE1 PHE 40 -0.218 24.285 15.028
316 HE2 PHE 40 HE2 PHE 40 -3.927 22.202 15.310
317 HZ PHE 40 HZ PHE 40 -1.464 22.178 15.293
318 H ASP 41 H ASP 41 -5.920 27.964 12.651
319 HA ASP 41 HA ASP 41 -6.021 25.920 10.757
320 HB2 ASP 41 2HB ASP 41 -7.875 27.538 11.727
321 HB3 ASP 41 3HB ASP 41 -7.523 28.455 10.265
322 H THR 42 H THR 42 -5.640 29.406 10.090
323 HA THR 42 HA THR 42 -5.025 29.172 7.390
324 HB THR 42 HB THR 42 -5.418 31.288 8.957
325 HG1 THR 42 HG1 THR 42 -5.360 31.243 6.631
326 HG21 THR 42 1HG2 THR 42 -3.517 32.475 9.563
327 HG22 THR 42 2HG2 THR 42 -2.480 31.579 8.453
328 HG23 THR 42 3HG2 THR 42 -3.054 30.816 9.936
329 H PHE 43 H PHE 43 -3.089 28.496 10.158
330 HA PHE 43 HA PHE 43 -0.546 28.736 8.866
331 HB2 PHE 43 2HB PHE 43 -0.948 28.884 11.359
332 HB3 PHE 43 3HB PHE 43 -1.180 27.139 11.350
333 HD1 PHE 43 HD1 PHE 43 0.633 26.392 12.616
334 HD2 PHE 43 HD2 PHE 43 1.285 29.103 9.400
335 HE1 PHE 43 HE1 PHE 43 3.061 26.069 12.841
336 HE2 PHE 43 HE2 PHE 43 3.714 28.785 9.620
337 HZ PHE 43 HZ PHE 43 4.606 27.266 11.341
338 H ALA 44 H ALA 44 -2.450 25.926 9.961
339 HA ALA 44 HA ALA 44 -0.789 24.024 8.661
340 HB1 ALA 44 1HB ALA 44 -2.347 22.394 9.351
341 HB2 ALA 44 2HB ALA 44 -2.332 23.613 10.627
342 HB3 ALA 44 3HB ALA 44 -3.652 23.575 9.458
343 H LEU 45 H LEU 45 -3.961 25.412 7.849
344 HA LEU 45 HA LEU 45 -4.589 24.016 5.585
345 HB2 LEU 45 2HB LEU 45 -5.735 26.047 6.800
346 HB3 LEU 45 3HB LEU 45 -4.926 26.977 5.540
347 HG LEU 45 HG LEU 45 -7.124 26.599 4.775
348 HD11 LEU 45 1HD1 LEU 45 -6.779 25.497 2.735
349 HD12 LEU 45 2HD1 LEU 45 -5.581 24.404 3.428
350 HD13 LEU 45 3HD1 LEU 45 -5.189 26.107 3.194
351 HD21 LEU 45 1HD2 LEU 45 -8.372 24.894 5.448
352 HD22 LEU 45 2HD2 LEU 45 -6.983 24.273 6.339
353 HD23 LEU 45 3HD2 LEU 45 -7.280 23.738 4.684
354 H ASP 46 H ASP 46 -2.793 27.101 5.582
355 HA ASP 46 HA ASP 46 -2.132 27.247 2.931
356 HB2 ASP 46 2HB ASP 46 -1.482 28.706 5.113
357 HB3 ASP 46 3HB ASP 46 0.068 27.934 4.789
358 H PHE 47 H PHE 47 -0.192 25.657 5.463
359 HA PHE 47 HA PHE 47 1.833 24.684 3.821
360 HB2 PHE 47 2HB PHE 47 0.917 24.252 6.532
361 HB3 PHE 47 3HB PHE 47 1.469 22.744 5.811
362 HD1 PHE 47 HD1 PHE 47 3.722 23.244 4.281
363 HD2 PHE 47 HD2 PHE 47 2.503 25.275 7.817
364 HE1 PHE 47 HE1 PHE 47 6.057 23.891 4.711
365 HE2 PHE 47 HE2 PHE 47 4.835 25.926 8.252
366 HZ PHE 47 HZ PHE 47 6.616 25.234 6.698
367 H SER 48 H SER 48 -1.037 22.921 4.996
368 HA SER 48 HA SER 48 -0.674 20.562 3.615
369 HB2 SER 48 2HB SER 48 -2.520 21.299 5.326
370 HB3 SER 48 3HB SER 48 -3.435 21.705 3.874
371 HG SER 48 HG SER 48 -3.942 19.628 4.214
372 H ARG 49 H ARG 49 -2.283 23.522 2.512
373 HA ARG 49 HA ARG 49 -3.348 22.766 0.128
374 HB2 ARG 49 2HB ARG 49 -3.195 25.107 1.221
375 HB3 ARG 49 3HB ARG 49 -1.712 25.281 0.291
376 HG2 ARG 49 2HG ARG 49 -3.142 24.658 -1.742
377 HG3 ARG 49 3HG ARG 49 -4.524 24.996 -0.697
378 HD2 ARG 49 2HD ARG 49 -2.862 27.166 -0.302
379 HD3 ARG 49 3HD ARG 49 -2.693 26.824 -2.024
380 HE ARG 49 HE ARG 49 -5.419 26.800 -1.325
381 HH11 ARG 49 1HH1 ARG 49 -3.755 30.351 -2.131
382 HH12 ARG 49 2HH1 ARG 49 -2.751 29.002 -1.715
383 HH21 ARG 49 1HH2 ARG 49 -6.031 30.103 -2.219
384 HH22 ARG 49 2HH2 ARG 49 -6.752 28.568 -1.872
385 H GLU 50 H GLU 50 0.058 23.552 0.735
386 HA GLU 50 HA GLU 50 0.834 23.024 -1.982
387 HB2 GLU 50 2HB GLU 50 1.955 24.444 0.064
388 HB3 GLU 50 3HB GLU 50 2.932 22.982 0.082
389 HG2 GLU 50 2HG GLU 50 2.891 23.544 -2.567
390 HG3 GLU 50 3HG GLU 50 2.829 25.163 -1.872
391 H LYS 51 H LYS 51 0.792 21.262 1.047
392 HA LYS 51 HA LYS 51 2.445 19.111 0.298
393 HB2 LYS 51 2HB LYS 51 1.908 18.227 2.318
394 HB3 LYS 51 3HB LYS 51 1.263 19.838 2.603
395 HG2 LYS 51 2HG LYS 51 -0.520 18.604 3.266
396 HG3 LYS 51 3HG LYS 51 -0.911 18.761 1.551
397 HD2 LYS 51 2HD LYS 51 0.541 16.557 1.387
398 HD3 LYS 51 3HD LYS 51 0.060 16.397 3.078
399 HE2 LYS 51 2HE LYS 51 -2.289 16.579 2.427
400 HE3 LYS 51 3HE LYS 51 -1.813 16.755 0.739
401 HZ1 LYS 51 1HZ LYS 51 -2.439 14.424 1.888
402 HZ2 LYS 51 2HZ LYS 51 -0.758 14.413 2.072
403 HZ3 LYS 51 3HZ LYS 51 -1.439 14.568 0.531
404 H LYS 52 H LYS 52 -0.875 19.862 -0.402
405 HA LYS 52 HA LYS 52 -1.593 17.217 -1.256
406 HB2 LYS 52 2HB LYS 52 -3.344 18.652 -0.462
407 HB3 LYS 52 3HB LYS 52 -2.912 19.910 -1.613
408 HG2 LYS 52 2HG LYS 52 -4.891 18.822 -2.384
409 HG3 LYS 52 3HG LYS 52 -3.559 18.373 -3.452
410 HD2 LYS 52 2HD LYS 52 -3.357 16.229 -2.401
411 HD3 LYS 52 3HD LYS 52 -4.509 16.681 -1.143
412 HE2 LYS 52 2HE LYS 52 -5.833 17.117 -3.568
413 HE3 LYS 52 3HE LYS 52 -4.988 15.583 -3.764
414 HZ1 LYS 52 1HZ LYS 52 -7.041 16.312 -1.772
415 HZ2 LYS 52 2HZ LYS 52 -5.989 15.016 -1.501
416 HZ3 LYS 52 3HZ LYS 52 -7.021 15.001 -2.841
417 H LEU 53 H LEU 53 -0.949 20.281 -2.958
418 HA LEU 53 HA LEU 53 -1.215 19.403 -5.559
419 HB2 LEU 53 2HB LEU 53 -0.161 21.674 -4.233
420 HB3 LEU 53 3HB LEU 53 1.020 21.166 -5.438
421 HG LEU 53 HG LEU 53 -1.716 21.289 -6.461
422 HD11 LEU 53 1HD1 LEU 53 -2.199 23.163 -5.257
423 HD12 LEU 53 2HD1 LEU 53 -1.344 23.898 -6.613
424 HD13 LEU 53 3HD1 LEU 53 -0.506 23.627 -5.086
425 HD21 LEU 53 1HD2 LEU 53 0.003 21.006 -8.024
426 HD22 LEU 53 2HD2 LEU 53 1.006 22.253 -7.283
427 HD23 LEU 53 3HD2 LEU 53 -0.450 22.705 -8.172
428 H LEU 54 H LEU 54 1.334 18.777 -3.291
429 HA LEU 54 HA LEU 54 3.288 17.937 -5.193
430 HB2 LEU 54 2HB LEU 54 3.559 18.662 -2.712
431 HB3 LEU 54 3HB LEU 54 3.212 16.970 -2.364
432 HG LEU 54 HG LEU 54 5.497 17.951 -4.073
433 HD11 LEU 54 1HD1 LEU 54 6.031 18.622 -1.896
434 HD12 LEU 54 2HD1 LEU 54 6.834 17.065 -2.089
435 HD13 LEU 54 3HD1 LEU 54 5.327 17.172 -1.180
436 HD21 LEU 54 1HD2 LEU 54 4.417 15.284 -3.376
437 HD22 LEU 54 2HD2 LEU 54 6.172 15.468 -3.368
438 HD23 LEU 54 3HD2 LEU 54 5.253 15.827 -4.831
439 H GLU 55 H GLU 55 1.353 16.070 -2.843
440 HA GLU 55 HA GLU 55 1.990 13.540 -3.799
441 HB2 GLU 55 2HB GLU 55 0.716 14.202 -1.670
442 HB3 GLU 55 3HB GLU 55 -0.720 14.230 -2.683
443 HG2 GLU 55 2HG GLU 55 0.742 11.792 -3.089
444 HG3 GLU 55 3HG GLU 55 0.402 12.035 -1.376
445 H CYS 56 H CYS 56 -1.148 15.143 -4.352
446 HA CYS 56 HA CYS 56 -1.731 13.464 -6.593
447 HB2 CYS 56 2HB CYS 56 -3.795 14.660 -6.750
448 HB3 CYS 56 3HB CYS 56 -3.446 14.457 -5.037
449 HG CYS 56 HG CYS 56 -2.506 17.341 -6.562
450 H LEU 57 H LEU 57 -2.783 14.938 -8.541
451 HA LEU 57 HA LEU 57 -0.823 16.939 -9.369
452 HB2 LEU 57 2HB LEU 57 -0.504 14.378 -10.191
453 HB3 LEU 57 3HB LEU 57 -1.544 15.005 -11.468
454 HG LEU 57 HG LEU 57 0.709 15.196 -12.208
455 HD11 LEU 57 1HD1 LEU 57 -0.296 17.877 -11.265
456 HD12 LEU 57 2HD1 LEU 57 -0.704 17.076 -12.782
457 HD13 LEU 57 3HD1 LEU 57 0.946 17.626 -12.492
458 HD21 LEU 57 1HD2 LEU 57 2.445 16.319 -10.973
459 HD22 LEU 57 2HD2 LEU 57 1.754 15.044 -9.970
460 HD23 LEU 57 3HD2 LEU 57 1.314 16.728 -9.683
461 H ASP 58 H ASP 58 -3.500 17.263 -8.553
462 HA ASP 58 HA ASP 58 -4.525 18.689 -10.816
463 HB2 ASP 58 2HB ASP 58 -5.380 16.028 -10.533
464 HB3 ASP 58 3HB ASP 58 -6.710 17.017 -9.938
465 H TYR 59 H TYR 59 -5.741 20.386 -10.180
466 HA TYR 59 HA TYR 59 -7.216 20.401 -7.722
467 HB2 TYR 59 2HB TYR 59 -4.720 20.809 -7.129
468 HB3 TYR 59 3HB TYR 59 -4.978 22.403 -7.831
469 HD1 TYR 59 HD1 TYR 59 -7.069 20.228 -5.620
470 HD2 TYR 59 HD2 TYR 59 -5.132 23.979 -6.154
471 HE1 TYR 59 HE1 TYR 59 -8.006 21.010 -3.484
472 HE2 TYR 59 HE2 TYR 59 -6.062 24.770 -4.019
473 HH TYR 59 HH TYR 59 -8.457 22.947 -2.271
474 H LEU 60 H LEU 60 -5.524 22.865 -9.669
475 HA LEU 60 HA LEU 60 -6.276 24.733 -10.731
476 HB2 LEU 60 2HB LEU 60 -7.603 22.560 -11.763
477 HB3 LEU 60 3HB LEU 60 -8.917 23.670 -11.378
478 HG LEU 60 HG LEU 60 -6.578 24.233 -13.200
479 HD11 LEU 60 1HD1 LEU 60 -8.349 24.348 -14.930
480 HD12 LEU 60 2HD1 LEU 60 -9.503 23.751 -13.738
481 HD13 LEU 60 3HD1 LEU 60 -8.147 22.739 -14.235
482 HD21 LEU 60 1HD2 LEU 60 -7.289 26.227 -11.965
483 HD22 LEU 60 2HD2 LEU 60 -8.949 25.962 -12.499
484 HD23 LEU 60 3HD2 LEU 60 -7.692 26.341 -13.678
Start of MODEL 19
1 H LEU 1 H LEU 1 4.987 4.220 1.579
2 HA LEU 1 HA LEU 1 7.138 3.924 2.620
3 HB2 LEU 1 2HB LEU 1 5.544 2.019 4.313
4 HB3 LEU 1 3HB LEU 1 7.306 2.023 4.290
5 HG LEU 1 HG LEU 1 7.084 4.509 4.957
6 HD11 LEU 1 1HD1 LEU 1 5.031 5.316 5.163
7 HD12 LEU 1 2HD1 LEU 1 4.756 4.194 6.495
8 HD13 LEU 1 3HD1 LEU 1 4.332 3.727 4.848
9 HD21 LEU 1 1HD2 LEU 1 6.133 2.817 7.183
10 HD22 LEU 1 2HD2 LEU 1 7.534 3.883 7.083
11 HD23 LEU 1 3HD2 LEU 1 7.593 2.278 6.353
12 H LYS 2 H LYS 2 5.863 2.972 0.257
13 HA LYS 2 HA LYS 2 7.339 0.454 -0.101
14 HB2 LYS 2 2HB LYS 2 4.650 0.472 -0.031
15 HB3 LYS 2 3HB LYS 2 4.892 0.852 -1.731
16 HG2 LYS 2 2HG LYS 2 6.055 -1.172 -2.114
17 HG3 LYS 2 3HG LYS 2 6.188 -1.501 -0.385
18 HD2 LYS 2 2HD LYS 2 3.493 -1.217 -1.652
19 HD3 LYS 2 3HD LYS 2 4.384 -2.734 -1.803
20 HE2 LYS 2 2HE LYS 2 4.614 -2.122 0.875
21 HE3 LYS 2 3HE LYS 2 2.974 -1.607 0.484
22 HZ1 LYS 2 1HZ LYS 2 2.828 -3.849 1.121
23 HZ2 LYS 2 2HZ LYS 2 4.154 -4.305 0.175
24 HZ3 LYS 2 3HZ LYS 2 2.699 -3.861 -0.566
25 H GLU 3 H GLU 3 8.147 0.081 -2.226
26 HA GLU 3 HA GLU 3 9.177 0.684 -4.162
27 HB2 GLU 3 2HB GLU 3 6.578 1.583 -4.393
28 HB3 GLU 3 3HB GLU 3 7.523 3.017 -4.768
29 HG2 GLU 3 2HG GLU 3 8.519 2.033 -6.620
30 HG3 GLU 3 3HG GLU 3 8.128 0.401 -6.082
31 H ASN 4 H ASN 4 9.905 2.907 -5.389
32 HA ASN 4 HA ASN 4 11.085 4.616 -3.298
33 HB2 ASN 4 2HB ASN 4 12.385 3.613 -5.840
34 HB3 ASN 4 3HB ASN 4 13.093 4.811 -4.762
35 HD21 ASN 4 1HD2 ASN 4 14.483 4.056 -3.351
36 HD22 ASN 4 2HD2 ASN 4 14.534 2.445 -2.729
37 H ASP 5 H ASP 5 8.671 5.215 -4.574
38 HA ASP 5 HA ASP 5 9.427 7.686 -5.935
39 HB2 ASP 5 2HB ASP 5 7.406 5.729 -7.048
40 HB3 ASP 5 3HB ASP 5 7.712 7.345 -7.680
41 H HIS 6 H HIS 6 6.374 5.945 -5.351
42 HA HIS 6 HA HIS 6 4.952 8.243 -4.577
43 HB2 HIS 6 2HB HIS 6 3.926 6.109 -5.380
44 HB3 HIS 6 3HB HIS 6 4.329 5.379 -3.829
45 HD1 HIS 6 HD1 HIS 6 2.591 8.640 -4.774
46 HD2 HIS 6 HD2 HIS 6 2.085 5.310 -2.343
47 HE1 HIS 6 HE1 HIS 6 0.433 9.029 -3.543
48 H ALA 7 H ALA 7 6.872 5.948 -2.766
49 HA ALA 7 HA ALA 7 5.981 6.681 -0.179
50 HB1 ALA 7 1HB ALA 7 8.251 5.133 -1.290
51 HB2 ALA 7 2HB ALA 7 8.407 5.735 0.361
52 HB3 ALA 7 3HB ALA 7 7.058 4.684 -0.070
53 H ARG 8 H ARG 8 8.418 7.958 -2.345
54 HA ARG 8 HA ARG 8 9.661 9.630 -0.373
55 HB2 ARG 8 2HB ARG 8 10.957 8.887 -2.276
56 HB3 ARG 8 3HB ARG 8 9.812 9.623 -3.390
57 HG2 ARG 8 2HG ARG 8 10.916 11.538 -3.322
58 HG3 ARG 8 3HG ARG 8 10.761 11.606 -1.566
59 HD2 ARG 8 2HD ARG 8 13.070 11.634 -1.958
60 HD3 ARG 8 3HD ARG 8 12.715 9.968 -1.501
61 HE ARG 8 HE ARG 8 12.597 10.266 -4.311
62 HH11 ARG 8 1HH1 ARG 8 16.144 9.466 -2.635
63 HH12 ARG 8 2HH1 ARG 8 14.855 10.102 -1.666
64 HH21 ARG 8 1HH2 ARG 8 15.819 9.084 -4.870
65 HH22 ARG 8 2HH2 ARG 8 14.286 9.429 -5.596
66 H PHE 9 H PHE 9 7.415 10.182 -3.072
67 HA PHE 9 HA PHE 9 7.147 12.944 -2.788
68 HB2 PHE 9 2HB PHE 9 5.875 10.857 -4.277
69 HB3 PHE 9 3HB PHE 9 4.633 11.898 -3.590
70 HD1 PHE 9 HD1 PHE 9 3.909 13.577 -4.959
71 HD2 PHE 9 HD2 PHE 9 7.969 12.326 -5.217
72 HE1 PHE 9 HE1 PHE 9 4.298 15.222 -6.748
73 HE2 PHE 9 HE2 PHE 9 8.365 13.969 -7.006
74 HZ PHE 9 HZ PHE 9 6.528 15.420 -7.773
75 H LEU 10 H LEU 10 5.478 10.297 -1.168
76 HA LEU 10 HA LEU 10 3.552 11.905 0.156
77 HB2 LEU 10 2HB LEU 10 4.000 9.210 -0.155
78 HB3 LEU 10 3HB LEU 10 4.337 9.469 1.555
79 HG LEU 10 HG LEU 10 1.804 10.564 0.442
80 HD11 LEU 10 1HD1 LEU 10 2.486 7.887 0.032
81 HD12 LEU 10 2HD1 LEU 10 0.885 8.616 -0.086
82 HD13 LEU 10 3HD1 LEU 10 1.416 7.893 1.433
83 HD21 LEU 10 1HD2 LEU 10 1.150 9.515 2.774
84 HD22 LEU 10 2HD2 LEU 10 1.950 11.083 2.661
85 HD23 LEU 10 3HD2 LEU 10 2.887 9.640 3.052
86 H GLN 11 H GLN 11 6.649 10.511 1.208
87 HA GLN 11 HA GLN 11 6.664 11.376 3.832
88 HB2 GLN 11 2HB GLN 11 8.397 9.986 2.373
89 HB3 GLN 11 3HB GLN 11 9.209 11.544 2.291
90 HG2 GLN 11 2HG GLN 11 10.189 10.914 4.188
91 HG3 GLN 11 3HG GLN 11 8.660 11.352 4.949
92 HE21 GLN 11 1HE2 GLN 11 6.988 9.402 4.471
93 HE22 GLN 11 2HE2 GLN 11 7.571 7.879 5.043
94 H THR 12 H THR 12 7.175 13.191 0.909
95 HA THR 12 HA THR 12 8.333 15.483 2.180
96 HB THR 12 HB THR 12 7.169 15.033 -0.563
97 HG1 THR 12 HG1 THR 12 9.810 15.796 0.129
98 HG21 THR 12 1HG2 THR 12 8.293 17.340 -0.991
99 HG22 THR 12 2HG2 THR 12 8.057 17.579 0.740
100 HG23 THR 12 3HG2 THR 12 6.669 17.285 -0.307
101 H ALA 13 H ALA 13 5.167 14.963 0.612
102 HA ALA 13 HA ALA 13 3.960 17.335 1.355
103 HB1 ALA 13 1HB ALA 13 2.427 16.383 0.058
104 HB2 ALA 13 2HB ALA 13 3.100 14.776 0.338
105 HB3 ALA 13 3HB ALA 13 1.918 15.445 1.463
106 H LYS 14 H LYS 14 4.345 14.365 3.202
107 HA LYS 14 HA LYS 14 2.664 15.191 5.365
108 HB2 LYS 14 2HB LYS 14 4.634 12.959 4.964
109 HB3 LYS 14 3HB LYS 14 3.939 13.266 6.550
110 HG2 LYS 14 2HG LYS 14 1.875 13.195 4.553
111 HG3 LYS 14 3HG LYS 14 2.859 11.732 4.483
112 HD2 LYS 14 2HD LYS 14 2.320 11.109 6.647
113 HD3 LYS 14 3HD LYS 14 1.899 12.756 7.123
114 HE2 LYS 14 2HE LYS 14 -0.026 12.531 5.436
115 HE3 LYS 14 3HE LYS 14 0.309 10.801 5.493
116 HZ1 LYS 14 1HZ LYS 14 -1.088 12.418 7.363
117 HZ2 LYS 14 2HZ LYS 14 0.198 11.619 8.117
118 HZ3 LYS 14 3HZ LYS 14 -0.975 10.732 7.282
119 H ASN 15 H ASN 15 6.176 15.056 4.854
120 HA ASN 15 HA ASN 15 6.960 15.970 7.377
121 HB2 ASN 15 2HB ASN 15 8.509 14.979 5.727
122 HB3 ASN 15 3HB ASN 15 8.350 16.419 4.726
123 HD21 ASN 15 1HD2 ASN 15 9.365 15.290 7.906
124 HD22 ASN 15 2HD2 ASN 15 10.557 16.515 8.159
125 H ILE 16 H ILE 16 5.547 17.638 4.720
126 HA ILE 16 HA ILE 16 6.466 20.258 5.387
127 HB ILE 16 HB ILE 16 4.138 19.337 3.702
128 HG12 ILE 16 2HG1 ILE 16 6.579 20.717 2.664
129 HG13 ILE 16 3HG1 ILE 16 6.688 19.012 3.088
130 HG21 ILE 16 1HG2 ILE 16 3.356 21.417 3.929
131 HG22 ILE 16 2HG2 ILE 16 4.844 21.986 4.684
132 HG23 ILE 16 3HG2 ILE 16 4.722 21.907 2.927
133 HD11 ILE 16 1HD1 ILE 16 5.663 20.205 0.724
134 HD12 ILE 16 2HD1 ILE 16 5.849 18.495 1.115
135 HD13 ILE 16 3HD1 ILE 16 4.358 19.338 1.534
136 H THR 17 H THR 17 3.323 18.624 5.800
137 HA THR 17 HA THR 17 2.293 20.732 7.455
138 HB THR 17 HB THR 17 1.027 18.027 7.410
139 HG1 THR 17 HG1 THR 17 1.212 19.818 5.209
140 HG21 THR 17 1HG2 THR 17 -0.421 19.375 8.507
141 HG22 THR 17 2HG2 THR 17 -0.904 19.843 6.876
142 HG23 THR 17 3HG2 THR 17 0.233 20.842 7.780
143 H GLU 18 H GLU 18 4.141 17.890 7.973
144 HA GLU 18 HA GLU 18 3.372 17.507 10.719
145 HB2 GLU 18 2HB GLU 18 4.124 15.592 9.455
146 HB3 GLU 18 3HB GLU 18 5.649 16.384 9.082
147 HG2 GLU 18 2HG GLU 18 6.373 16.235 11.339
148 HG3 GLU 18 3HG GLU 18 4.780 15.706 11.877
149 H ARG 19 H ARG 19 6.037 19.039 8.991
150 HA ARG 19 HA ARG 19 7.594 19.617 11.295
151 HB2 ARG 19 2HB ARG 19 8.384 19.566 8.877
152 HB3 ARG 19 3HB ARG 19 7.640 21.149 8.698
153 HG2 ARG 19 2HG ARG 19 9.142 21.584 10.887
154 HG3 ARG 19 3HG ARG 19 10.121 20.364 10.069
155 HD2 ARG 19 2HD ARG 19 9.957 21.763 7.994
156 HD3 ARG 19 3HD ARG 19 9.197 23.015 8.976
157 HE ARG 19 HE ARG 19 11.527 22.437 10.278
158 HH11 ARG 19 1HH1 ARG 19 12.167 24.303 6.795
159 HH12 ARG 19 2HH1 ARG 19 10.685 23.443 7.054
160 HH21 ARG 19 1HH2 ARG 19 13.757 24.371 8.443
161 HH22 ARG 19 2HH2 ARG 19 13.482 23.565 9.950
162 H VAL 20 H VAL 20 5.306 21.537 9.372
163 HA VAL 20 HA VAL 20 5.547 23.962 10.702
164 HB VAL 20 HB VAL 20 4.272 23.813 8.663
165 HG11 VAL 20 1HG1 VAL 20 2.147 22.296 10.160
166 HG12 VAL 20 2HG1 VAL 20 2.226 22.634 8.430
167 HG13 VAL 20 3HG1 VAL 20 3.373 21.513 9.164
168 HG21 VAL 20 1HG2 VAL 20 3.683 25.647 10.102
169 HG22 VAL 20 2HG2 VAL 20 2.215 25.031 9.342
170 HG23 VAL 20 3HG2 VAL 20 2.575 24.625 11.020
171 H SER 21 H SER 21 3.434 21.207 11.436
172 HA SER 21 HA SER 21 2.015 22.343 13.552
173 HB2 SER 21 2HB SER 21 1.040 20.351 13.076
174 HB3 SER 21 3HB SER 21 2.563 19.613 12.579
175 HG SER 21 HG SER 21 1.321 19.095 14.753
176 H MET 22 H MET 22 4.862 20.198 13.745
177 HA MET 22 HA MET 22 5.252 20.434 16.502
178 HB2 MET 22 2HB MET 22 6.938 19.607 14.193
179 HB3 MET 22 3HB MET 22 7.754 19.955 15.711
180 HG2 MET 22 2HG MET 22 5.688 18.358 16.516
181 HG3 MET 22 3HG MET 22 6.102 17.680 14.944
182 HE1 MET 22 1HE MET 22 9.514 18.559 15.210
183 HE2 MET 22 2HE MET 22 9.864 16.836 15.343
184 HE3 MET 22 3HE MET 22 8.603 17.398 14.245
185 H ALA 23 H ALA 23 6.158 22.531 13.870
186 HA ALA 23 HA ALA 23 8.087 24.071 15.276
187 HB1 ALA 23 1HB ALA 23 7.336 25.794 13.411
188 HB2 ALA 23 2HB ALA 23 8.327 24.384 13.031
189 HB3 ALA 23 3HB ALA 23 6.590 24.350 12.727
190 H THR 24 H THR 24 4.631 24.556 14.602
191 HA THR 24 HA THR 24 4.508 26.998 16.105
192 HB THR 24 HB THR 24 1.985 25.548 15.601
193 HG1 THR 24 HG1 THR 24 2.316 26.359 13.276
194 HG21 THR 24 1HG2 THR 24 1.473 27.820 14.558
195 HG22 THR 24 2HG2 THR 24 3.045 28.331 15.174
196 HG23 THR 24 3HG2 THR 24 1.792 27.793 16.292
197 H ALA 25 H ALA 25 4.185 23.637 16.810
198 HA ALA 25 HA ALA 25 2.667 23.972 19.228
199 HB1 ALA 25 1HB ALA 25 3.697 21.515 19.508
200 HB2 ALA 25 2HB ALA 25 2.293 21.864 18.498
201 HB3 ALA 25 3HB ALA 25 3.891 21.715 17.767
202 H SER 26 H SER 26 5.997 24.102 18.341
203 HA SER 26 HA SER 26 6.823 23.957 21.156
204 HB2 SER 26 2HB SER 26 7.931 22.749 18.963
205 HB3 SER 26 3HB SER 26 8.930 24.194 19.115
206 HG SER 26 HG SER 26 9.758 23.440 20.909
207 H SER 27 H SER 27 6.652 26.052 18.379
208 HA SER 27 HA SER 27 8.394 28.084 19.233
209 HB2 SER 27 2HB SER 27 7.676 28.103 16.957
210 HB3 SER 27 3HB SER 27 5.976 28.132 17.422
211 HG SER 27 HG SER 27 6.348 30.208 17.023
212 H GLN 28 H GLN 28 4.869 27.764 19.605
213 HA GLN 28 HA GLN 28 4.963 29.878 21.647
214 HB2 GLN 28 2HB GLN 28 2.910 29.023 19.675
215 HB3 GLN 28 3HB GLN 28 2.336 29.614 21.229
216 HG2 GLN 28 2HG GLN 28 4.085 31.552 20.646
217 HG3 GLN 28 3HG GLN 28 3.643 31.055 19.013
218 HE21 GLN 28 1HE2 GLN 28 2.273 32.520 18.280
219 HE22 GLN 28 2HE2 GLN 28 0.872 33.099 19.109
220 H VAL 29 H VAL 29 2.599 27.293 21.122
221 HA VAL 29 HA VAL 29 3.343 25.596 23.197
222 HB VAL 29 HB VAL 29 2.959 27.357 24.769
223 HG11 VAL 29 1HG1 VAL 29 1.578 28.785 23.324
224 HG12 VAL 29 2HG1 VAL 29 0.217 27.685 23.553
225 HG13 VAL 29 3HG1 VAL 29 0.868 28.582 24.926
226 HG21 VAL 29 1HG2 VAL 29 0.394 25.884 25.054
227 HG22 VAL 29 2HG2 VAL 29 1.889 24.948 25.033
228 HG23 VAL 29 3HG2 VAL 29 1.652 26.206 26.247
229 H LEU 30 H LEU 30 0.754 27.050 21.345
230 HA LEU 30 HA LEU 30 -1.000 26.139 20.217
231 HB2 LEU 30 2HB LEU 30 0.851 24.323 19.871
232 HB3 LEU 30 3HB LEU 30 -0.146 23.381 20.977
233 HG LEU 30 HG LEU 30 -1.940 24.296 19.072
234 HD11 LEU 30 1HD1 LEU 30 -0.630 24.928 17.348
235 HD12 LEU 30 2HD1 LEU 30 -0.563 23.191 17.051
236 HD13 LEU 30 3HD1 LEU 30 0.754 23.990 17.911
237 HD21 LEU 30 1HD2 LEU 30 -2.078 22.129 20.029
238 HD22 LEU 30 2HD2 LEU 30 -0.491 21.678 19.406
239 HD23 LEU 30 3HD2 LEU 30 -1.843 21.906 18.296
240 H ILE 31 H ILE 31 -2.268 27.049 21.975
241 HA ILE 31 HA ILE 31 -3.882 25.001 23.245
242 HB ILE 31 HB ILE 31 -3.782 26.182 25.465
243 HG12 ILE 31 2HG1 ILE 31 -1.111 27.194 25.165
244 HG13 ILE 31 3HG1 ILE 31 -2.162 27.971 23.986
245 HG21 ILE 31 1HG2 ILE 31 -2.679 24.041 25.078
246 HG22 ILE 31 2HG2 ILE 31 -1.242 24.879 24.495
247 HG23 ILE 31 3HG2 ILE 31 -1.738 25.047 26.179
248 HD11 ILE 31 1HD1 ILE 31 -1.842 28.971 26.378
249 HD12 ILE 31 2HD1 ILE 31 -3.420 29.003 25.590
250 HD13 ILE 31 3HD1 ILE 31 -3.069 27.780 26.811
251 HA PRO 32 HA PRO 32 -7.138 27.832 22.430
252 HB2 PRO 32 2HB PRO 32 -8.888 27.202 24.407
253 HB3 PRO 32 3HB PRO 32 -8.587 26.149 23.019
254 HG2 PRO 32 2HG PRO 32 -7.478 25.988 25.795
255 HG3 PRO 32 3HG PRO 32 -8.083 24.686 24.755
256 HD2 PRO 32 2HD PRO 32 -5.442 25.192 25.067
257 HD3 PRO 32 3HD PRO 32 -6.121 24.564 23.552
258 H GLU 33 H GLU 33 -6.130 29.828 22.859
259 HA GLU 33 HA GLU 33 -6.320 30.849 25.601
260 HB2 GLU 33 2HB GLU 33 -4.503 31.283 23.382
261 HB3 GLU 33 3HB GLU 33 -5.123 32.804 24.007
262 HG2 GLU 33 2HG GLU 33 -4.472 31.378 26.280
263 HG3 GLU 33 3HG GLU 33 -3.184 30.980 25.144
264 H ILE 34 H ILE 34 -6.608 32.484 22.458
265 HA ILE 34 HA ILE 34 -9.335 33.286 23.062
266 HB ILE 34 HB ILE 34 -7.153 35.337 22.671
267 HG12 ILE 34 2HG1 ILE 34 -8.910 34.725 25.057
268 HG13 ILE 34 3HG1 ILE 34 -7.181 34.419 24.938
269 HG21 ILE 34 1HG2 ILE 34 -8.937 36.991 22.950
270 HG22 ILE 34 2HG2 ILE 34 -9.210 35.973 21.538
271 HG23 ILE 34 3HG2 ILE 34 -10.127 35.692 23.017
272 HD11 ILE 34 1HD1 ILE 34 -7.164 37.030 24.441
273 HD12 ILE 34 2HD1 ILE 34 -8.636 36.943 25.408
274 HD13 ILE 34 3HD1 ILE 34 -7.108 36.367 26.074
275 H ASN 35 H ASN 35 -6.565 33.801 20.888
276 HA ASN 35 HA ASN 35 -8.319 33.247 18.615
277 HB2 ASN 35 2HB ASN 35 -8.127 35.755 18.993
278 HB3 ASN 35 3HB ASN 35 -6.424 35.596 18.576
279 HD21 ASN 35 1HD2 ASN 35 -8.475 37.101 17.219
280 HD22 ASN 35 2HD2 ASN 35 -8.562 36.480 15.610
281 H LEU 36 H LEU 36 -6.698 31.363 19.475
282 HA LEU 36 HA LEU 36 -4.221 31.543 17.906
283 HB2 LEU 36 2HB LEU 36 -3.680 30.941 20.093
284 HB3 LEU 36 3HB LEU 36 -5.067 29.863 20.236
285 HG LEU 36 HG LEU 36 -2.971 29.145 18.260
286 HD11 LEU 36 1HD1 LEU 36 -2.617 28.928 21.243
287 HD12 LEU 36 2HD1 LEU 36 -1.576 29.774 20.098
288 HD13 LEU 36 3HD1 LEU 36 -1.679 28.013 20.062
289 HD21 LEU 36 1HD2 LEU 36 -4.310 27.368 18.242
290 HD22 LEU 36 2HD2 LEU 36 -5.167 27.911 19.685
291 HD23 LEU 36 3HD2 LEU 36 -3.678 26.979 19.842
292 H ASN 37 H ASN 37 -7.318 30.143 17.931
293 HA ASN 37 HA ASN 37 -6.710 27.774 16.451
294 HB2 ASN 37 2HB ASN 37 -8.731 27.949 17.844
295 HB3 ASN 37 3HB ASN 37 -9.344 29.225 16.796
296 HD21 ASN 37 1HD2 ASN 37 -8.203 25.876 16.703
297 HD22 ASN 37 2HD2 ASN 37 -9.309 25.351 15.484
298 H ASP 38 H ASP 38 -8.151 30.911 15.585
299 HA ASP 38 HA ASP 38 -8.451 30.419 12.848
300 HB2 ASP 38 2HB ASP 38 -8.799 32.614 14.610
301 HB3 ASP 38 3HB ASP 38 -7.804 33.178 13.271
302 H THR 39 H THR 39 -5.795 32.050 14.570
303 HA THR 39 HA THR 39 -4.182 32.582 12.362
304 HB THR 39 HB THR 39 -2.489 31.926 14.562
305 HG1 THR 39 HG1 THR 39 -3.507 32.963 16.241
306 HG21 THR 39 1HG2 THR 39 -1.945 33.707 13.092
307 HG22 THR 39 2HG2 THR 39 -2.298 34.451 14.651
308 HG23 THR 39 3HG2 THR 39 -3.499 34.496 13.360
309 H PHE 40 H PHE 40 -3.989 29.819 14.612
310 HA PHE 40 HA PHE 40 -1.949 28.450 13.278
311 HB2 PHE 40 2HB PHE 40 -2.850 27.984 15.600
312 HB3 PHE 40 3HB PHE 40 -4.187 27.140 14.825
313 HD1 PHE 40 HD1 PHE 40 -0.570 27.171 13.964
314 HD2 PHE 40 HD2 PHE 40 -3.896 24.907 15.354
315 HE1 PHE 40 HE1 PHE 40 0.788 25.121 13.865
316 HE2 PHE 40 HE2 PHE 40 -2.543 22.854 15.258
317 HZ PHE 40 HZ PHE 40 -0.198 22.960 14.514
318 H ASP 41 H ASP 41 -5.452 28.355 12.863
319 HA ASP 41 HA ASP 41 -5.633 26.179 11.129
320 HB2 ASP 41 2HB ASP 41 -7.319 28.504 11.807
321 HB3 ASP 41 3HB ASP 41 -7.629 27.792 10.226
322 H THR 42 H THR 42 -5.602 29.633 10.230
323 HA THR 42 HA THR 42 -5.369 29.262 7.480
324 HB THR 42 HB THR 42 -5.684 31.446 8.993
325 HG1 THR 42 HG1 THR 42 -5.415 32.599 7.048
326 HG21 THR 42 1HG2 THR 42 -3.198 31.257 9.617
327 HG22 THR 42 2HG2 THR 42 -3.798 32.835 9.106
328 HG23 THR 42 3HG2 THR 42 -2.882 31.833 7.981
329 H PHE 43 H PHE 43 -2.997 28.990 9.984
330 HA PHE 43 HA PHE 43 -0.706 29.270 8.288
331 HB2 PHE 43 2HB PHE 43 -0.793 29.638 10.816
332 HB3 PHE 43 3HB PHE 43 -0.766 27.884 10.966
333 HD1 PHE 43 HD1 PHE 43 1.300 27.377 11.875
334 HD2 PHE 43 HD2 PHE 43 1.071 30.099 8.611
335 HE1 PHE 43 HE1 PHE 43 3.756 27.404 11.728
336 HE2 PHE 43 HE2 PHE 43 3.526 30.129 8.458
337 HZ PHE 43 HZ PHE 43 4.872 28.780 10.018
338 H ALA 44 H ALA 44 -2.299 26.495 9.848
339 HA ALA 44 HA ALA 44 -0.646 24.542 8.622
340 HB1 ALA 44 1HB ALA 44 -2.865 23.141 9.248
341 HB2 ALA 44 2HB ALA 44 -1.610 23.569 10.411
342 HB3 ALA 44 3HB ALA 44 -3.072 24.548 10.291
343 H LEU 45 H LEU 45 -3.919 25.725 7.893
344 HA LEU 45 HA LEU 45 -4.626 24.079 5.825
345 HB2 LEU 45 2HB LEU 45 -6.288 25.546 6.354
346 HB3 LEU 45 3HB LEU 45 -5.186 26.915 6.489
347 HG LEU 45 HG LEU 45 -5.110 27.132 4.077
348 HD11 LEU 45 1HD1 LEU 45 -5.464 25.346 2.810
349 HD12 LEU 45 2HD1 LEU 45 -7.184 25.495 3.170
350 HD13 LEU 45 3HD1 LEU 45 -6.162 24.457 4.164
351 HD21 LEU 45 1HD2 LEU 45 -8.023 26.849 4.564
352 HD22 LEU 45 2HD2 LEU 45 -7.113 28.193 3.875
353 HD23 LEU 45 3HD2 LEU 45 -7.115 27.931 5.619
354 H ASP 46 H ASP 46 -2.990 27.223 5.398
355 HA ASP 46 HA ASP 46 -2.498 27.081 2.696
356 HB2 ASP 46 2HB ASP 46 -1.842 28.838 4.671
357 HB3 ASP 46 3HB ASP 46 -0.259 28.175 4.273
358 H PHE 47 H PHE 47 -0.369 25.935 5.309
359 HA PHE 47 HA PHE 47 1.689 24.944 3.719
360 HB2 PHE 47 2HB PHE 47 0.811 24.644 6.488
361 HB3 PHE 47 3HB PHE 47 1.601 23.199 5.866
362 HD1 PHE 47 HD1 PHE 47 3.775 23.889 4.343
363 HD2 PHE 47 HD2 PHE 47 2.183 26.054 7.644
364 HE1 PHE 47 HE1 PHE 47 5.973 24.929 4.717
365 HE2 PHE 47 HE2 PHE 47 4.379 27.099 8.022
366 HZ PHE 47 HZ PHE 47 6.277 26.537 6.557
367 H SER 48 H SER 48 -1.381 23.504 4.627
368 HA SER 48 HA SER 48 -0.732 20.923 3.527
369 HB2 SER 48 2HB SER 48 -2.320 21.213 5.426
370 HB3 SER 48 3HB SER 48 -3.438 22.021 4.328
371 HG SER 48 HG SER 48 -3.783 20.147 3.276
372 H ARG 49 H ARG 49 -2.094 23.881 2.380
373 HA ARG 49 HA ARG 49 -3.627 22.998 0.228
374 HB2 ARG 49 2HB ARG 49 -3.075 25.419 1.229
375 HB3 ARG 49 3HB ARG 49 -1.980 25.442 -0.147
376 HG2 ARG 49 2HG ARG 49 -4.878 24.740 -0.453
377 HG3 ARG 49 3HG ARG 49 -4.313 26.412 -0.468
378 HD2 ARG 49 2HD ARG 49 -2.594 25.090 -2.198
379 HD3 ARG 49 3HD ARG 49 -4.175 24.385 -2.536
380 HE ARG 49 HE ARG 49 -4.779 26.350 -3.521
381 HH11 ARG 49 1HH1 ARG 49 -1.874 28.594 -1.924
382 HH12 ARG 49 2HH1 ARG 49 -2.059 26.943 -1.431
383 HH21 ARG 49 1HH2 ARG 49 -3.289 29.491 -3.486
384 HH22 ARG 49 2HH2 ARG 49 -4.545 28.522 -4.179
385 H GLU 50 H GLU 50 -0.167 23.808 0.347
386 HA GLU 50 HA GLU 50 0.256 23.041 -2.391
387 HB2 GLU 50 2HB GLU 50 1.690 24.481 -0.418
388 HB3 GLU 50 3HB GLU 50 2.699 23.123 -0.895
389 HG2 GLU 50 2HG GLU 50 1.487 25.149 -2.762
390 HG3 GLU 50 3HG GLU 50 3.164 25.115 -2.221
391 H LYS 51 H LYS 51 0.593 21.549 0.754
392 HA LYS 51 HA LYS 51 2.202 19.363 0.032
393 HB2 LYS 51 2HB LYS 51 1.884 18.664 2.162
394 HB3 LYS 51 3HB LYS 51 1.188 20.266 2.367
395 HG2 LYS 51 2HG LYS 51 -0.456 18.994 3.294
396 HG3 LYS 51 3HG LYS 51 -1.017 19.040 1.621
397 HD2 LYS 51 2HD LYS 51 0.565 16.881 1.491
398 HD3 LYS 51 3HD LYS 51 0.105 16.796 3.193
399 HE2 LYS 51 2HE LYS 51 -2.192 16.658 2.665
400 HE3 LYS 51 3HE LYS 51 -1.914 17.142 0.992
401 HZ1 LYS 51 1HZ LYS 51 -0.455 14.787 1.689
402 HZ2 LYS 51 2HZ LYS 51 -1.525 15.049 0.405
403 HZ3 LYS 51 3HZ LYS 51 -2.119 14.582 1.918
404 H LYS 52 H LYS 52 -1.186 20.004 -0.412
405 HA LYS 52 HA LYS 52 -1.902 17.284 -1.002
406 HB2 LYS 52 2HB LYS 52 -3.630 18.675 -0.132
407 HB3 LYS 52 3HB LYS 52 -3.331 19.918 -1.340
408 HG2 LYS 52 2HG LYS 52 -5.354 18.725 -1.871
409 HG3 LYS 52 3HG LYS 52 -4.123 18.382 -3.089
410 HD2 LYS 52 2HD LYS 52 -5.112 16.302 -2.611
411 HD3 LYS 52 3HD LYS 52 -3.585 16.298 -1.726
412 HE2 LYS 52 2HE LYS 52 -4.604 16.320 0.292
413 HE3 LYS 52 3HE LYS 52 -5.918 17.356 -0.265
414 HZ1 LYS 52 1HZ LYS 52 -5.698 14.506 -1.041
415 HZ2 LYS 52 2HZ LYS 52 -7.039 15.525 -1.192
416 HZ3 LYS 52 3HZ LYS 52 -6.537 15.010 0.339
417 H LEU 53 H LEU 53 -1.581 20.247 -2.959
418 HA LEU 53 HA LEU 53 -2.059 19.157 -5.454
419 HB2 LEU 53 2HB LEU 53 -1.007 21.580 -4.403
420 HB3 LEU 53 3HB LEU 53 0.041 21.051 -5.717
421 HG LEU 53 HG LEU 53 -1.678 22.622 -6.478
422 HD11 LEU 53 1HD1 LEU 53 -0.782 20.817 -7.951
423 HD12 LEU 53 2HD1 LEU 53 -2.386 21.396 -8.398
424 HD13 LEU 53 3HD1 LEU 53 -2.208 19.859 -7.552
425 HD21 LEU 53 1HD2 LEU 53 -3.698 20.493 -5.809
426 HD22 LEU 53 2HD2 LEU 53 -3.997 22.123 -6.412
427 HD23 LEU 53 3HD2 LEU 53 -3.381 21.886 -4.776
428 H LEU 54 H LEU 54 0.719 18.826 -3.415
429 HA LEU 54 HA LEU 54 2.530 17.970 -5.455
430 HB2 LEU 54 2HB LEU 54 3.520 18.859 -3.524
431 HB3 LEU 54 3HB LEU 54 2.543 17.852 -2.458
432 HG LEU 54 HG LEU 54 4.458 16.495 -4.284
433 HD11 LEU 54 1HD1 LEU 54 6.200 16.783 -2.458
434 HD12 LEU 54 2HD1 LEU 54 5.233 18.147 -1.898
435 HD13 LEU 54 3HD1 LEU 54 5.923 18.164 -3.521
436 HD21 LEU 54 1HD2 LEU 54 2.934 15.936 -1.877
437 HD22 LEU 54 2HD2 LEU 54 4.630 15.480 -1.719
438 HD23 LEU 54 3HD2 LEU 54 3.661 14.826 -3.040
439 H GLU 55 H GLU 55 0.810 16.233 -2.857
440 HA GLU 55 HA GLU 55 1.560 13.655 -3.709
441 HB2 GLU 55 2HB GLU 55 0.567 14.397 -1.453
442 HB3 GLU 55 3HB GLU 55 -0.997 14.258 -2.242
443 HG2 GLU 55 2HG GLU 55 -0.326 11.884 -2.829
444 HG3 GLU 55 3HG GLU 55 1.003 12.094 -1.690
445 H CYS 56 H CYS 56 -1.694 15.105 -3.903
446 HA CYS 56 HA CYS 56 -2.111 13.578 -6.389
447 HB2 CYS 56 2HB CYS 56 -3.879 14.112 -4.051
448 HB3 CYS 56 3HB CYS 56 -4.629 14.039 -5.641
449 HG CYS 56 HG CYS 56 -5.003 11.557 -4.509
450 H LEU 57 H LEU 57 -3.067 14.589 -8.135
451 HA LEU 57 HA LEU 57 -2.834 17.476 -8.162
452 HB2 LEU 57 2HB LEU 57 -3.579 15.543 -10.352
453 HB3 LEU 57 3HB LEU 57 -3.263 17.264 -10.567
454 HG LEU 57 HG LEU 57 -0.978 16.214 -9.322
455 HD11 LEU 57 1HD1 LEU 57 -1.914 13.986 -10.043
456 HD12 LEU 57 2HD1 LEU 57 -0.301 14.373 -10.640
457 HD13 LEU 57 3HD1 LEU 57 -1.696 14.529 -11.707
458 HD21 LEU 57 1HD2 LEU 57 -1.321 18.033 -11.090
459 HD22 LEU 57 2HD2 LEU 57 -1.255 16.721 -12.267
460 HD23 LEU 57 3HD2 LEU 57 0.125 17.032 -11.213
461 H ASP 58 H ASP 58 -4.537 18.820 -9.143
462 HA ASP 58 HA ASP 58 -7.249 17.771 -8.748
463 HB2 ASP 58 2HB ASP 58 -6.955 18.899 -6.709
464 HB3 ASP 58 3HB ASP 58 -6.041 20.204 -7.459
465 H TYR 59 H TYR 59 -5.553 20.767 -9.692
466 HA TYR 59 HA TYR 59 -6.944 20.704 -12.259
467 HB2 TYR 59 2HB TYR 59 -8.162 22.134 -10.430
468 HB3 TYR 59 3HB TYR 59 -6.887 23.301 -10.764
469 HD1 TYR 59 HD1 TYR 59 -6.574 24.020 -13.219
470 HD2 TYR 59 HD2 TYR 59 -10.064 22.058 -11.778
471 HE1 TYR 59 HE1 TYR 59 -7.835 24.848 -15.162
472 HE2 TYR 59 HE2 TYR 59 -11.333 22.879 -13.718
473 HH TYR 59 HH TYR 59 -9.780 24.458 -16.397
474 H LEU 60 H LEU 60 -4.920 22.966 -10.382
475 HA LEU 60 HA LEU 60 -2.736 22.633 -12.256
476 HB2 LEU 60 2HB LEU 60 -4.351 24.393 -13.163
477 HB3 LEU 60 3HB LEU 60 -3.819 25.399 -11.817
478 HG LEU 60 HG LEU 60 -1.451 24.619 -12.998
479 HD11 LEU 60 1HD1 LEU 60 -3.343 25.375 -15.212
480 HD12 LEU 60 2HD1 LEU 60 -2.844 23.716 -14.885
481 HD13 LEU 60 3HD1 LEU 60 -1.643 24.923 -15.341
482 HD21 LEU 60 1HD2 LEU 60 -1.408 26.796 -12.429
483 HD22 LEU 60 2HD2 LEU 60 -3.109 27.043 -12.828
484 HD23 LEU 60 3HD2 LEU 60 -1.893 27.045 -14.106
Start of MODEL 20
1 H LEU 1 H LEU 1 9.278 -5.437 -5.938
2 HA LEU 1 HA LEU 1 10.383 -3.723 -4.685
3 HB2 LEU 1 2HB LEU 1 7.866 -2.527 -5.833
4 HB3 LEU 1 3HB LEU 1 9.368 -1.672 -5.491
5 HG LEU 1 HG LEU 1 9.231 -3.917 -7.486
6 HD11 LEU 1 1HD1 LEU 1 9.220 -1.926 -9.143
7 HD12 LEU 1 2HD1 LEU 1 8.493 -1.037 -7.805
8 HD13 LEU 1 3HD1 LEU 1 7.697 -2.476 -8.443
9 HD21 LEU 1 1HD2 LEU 1 11.086 -1.600 -7.632
10 HD22 LEU 1 2HD2 LEU 1 11.329 -3.278 -8.118
11 HD23 LEU 1 3HD2 LEU 1 11.390 -2.836 -6.411
12 H LYS 2 H LYS 2 9.904 -1.679 -3.327
13 HA LYS 2 HA LYS 2 7.936 -2.363 -1.242
14 HB2 LYS 2 2HB LYS 2 10.689 -2.321 -0.946
15 HB3 LYS 2 3HB LYS 2 10.191 -0.753 -0.324
16 HG2 LYS 2 2HG LYS 2 9.152 -3.427 0.590
17 HG3 LYS 2 3HG LYS 2 10.310 -2.409 1.449
18 HD2 LYS 2 2HD LYS 2 8.654 -0.683 1.736
19 HD3 LYS 2 3HD LYS 2 7.502 -1.569 0.734
20 HE2 LYS 2 2HE LYS 2 8.656 -2.777 3.226
21 HE3 LYS 2 3HE LYS 2 7.260 -1.703 3.293
22 HZ1 LYS 2 1HZ LYS 2 6.480 -3.931 3.176
23 HZ2 LYS 2 2HZ LYS 2 7.463 -4.284 1.846
24 HZ3 LYS 2 3HZ LYS 2 6.165 -3.213 1.676
25 H GLU 3 H GLU 3 7.555 -0.639 -3.533
26 HA GLU 3 HA GLU 3 6.638 1.378 -4.047
27 HB2 GLU 3 2HB GLU 3 6.111 1.061 -1.155
28 HB3 GLU 3 3HB GLU 3 5.973 2.698 -1.781
29 HG2 GLU 3 2HG GLU 3 4.231 2.136 -3.216
30 HG3 GLU 3 3HG GLU 3 4.589 0.412 -3.126
31 H ASN 4 H ASN 4 8.457 2.332 -4.922
32 HA ASN 4 HA ASN 4 10.006 4.068 -3.114
33 HB2 ASN 4 2HB ASN 4 11.772 3.992 -4.901
34 HB3 ASN 4 3HB ASN 4 11.463 2.447 -4.116
35 HD21 ASN 4 1HD2 ASN 4 11.872 0.984 -5.629
36 HD22 ASN 4 2HD2 ASN 4 11.169 0.952 -7.207
37 H ASP 5 H ASP 5 7.419 4.619 -4.458
38 HA ASP 5 HA ASP 5 8.260 7.056 -5.872
39 HB2 ASP 5 2HB ASP 5 7.286 5.051 -7.301
40 HB3 ASP 5 3HB ASP 5 5.747 5.683 -6.723
41 H HIS 6 H HIS 6 5.481 5.407 -4.373
42 HA HIS 6 HA HIS 6 4.142 7.875 -3.788
43 HB2 HIS 6 2HB HIS 6 3.119 5.513 -4.161
44 HB3 HIS 6 3HB HIS 6 3.495 5.260 -2.460
45 HD1 HIS 6 HD1 HIS 6 0.864 5.060 -2.141
46 HD2 HIS 6 HD2 HIS 6 2.259 8.811 -3.256
47 HE1 HIS 6 HE1 HIS 6 -1.025 6.650 -1.662
48 H ALA 7 H ALA 7 6.098 5.565 -1.976
49 HA ALA 7 HA ALA 7 5.704 6.516 0.602
50 HB1 ALA 7 1HB ALA 7 7.282 5.035 1.160
51 HB2 ALA 7 2HB ALA 7 7.278 4.592 -0.547
52 HB3 ALA 7 3HB ALA 7 8.467 5.743 0.062
53 H ARG 8 H ARG 8 8.186 7.504 -1.756
54 HA ARG 8 HA ARG 8 9.428 9.439 -0.164
55 HB2 ARG 8 2HB ARG 8 9.160 9.696 -3.150
56 HB3 ARG 8 3HB ARG 8 10.503 10.184 -2.125
57 HG2 ARG 8 2HG ARG 8 10.295 7.452 -1.713
58 HG3 ARG 8 3HG ARG 8 10.001 7.662 -3.440
59 HD2 ARG 8 2HD ARG 8 12.341 7.375 -3.170
60 HD3 ARG 8 3HD ARG 8 12.072 9.084 -3.512
61 HE ARG 8 HE ARG 8 12.844 9.598 -1.412
62 HH11 ARG 8 1HH1 ARG 8 12.982 5.817 -0.101
63 HH12 ARG 8 2HH1 ARG 8 12.233 6.177 -1.622
64 HH21 ARG 8 1HH2 ARG 8 13.890 7.502 1.158
65 HH22 ARG 8 2HH2 ARG 8 13.832 9.137 0.592
66 H PHE 9 H PHE 9 6.926 9.868 -2.668
67 HA PHE 9 HA PHE 9 6.567 12.602 -2.412
68 HB2 PHE 9 2HB PHE 9 5.101 10.378 -3.570
69 HB3 PHE 9 3HB PHE 9 4.014 11.602 -2.923
70 HD1 PHE 9 HD1 PHE 9 3.156 12.703 -4.767
71 HD2 PHE 9 HD2 PHE 9 7.345 11.984 -4.531
72 HE1 PHE 9 HE1 PHE 9 3.502 14.073 -6.781
73 HE2 PHE 9 HE2 PHE 9 7.697 13.353 -6.544
74 HZ PHE 9 HZ PHE 9 5.775 14.401 -7.672
75 H LEU 10 H LEU 10 4.919 9.982 -0.671
76 HA LEU 10 HA LEU 10 3.179 11.556 0.840
77 HB2 LEU 10 2HB LEU 10 4.028 8.831 0.765
78 HB3 LEU 10 3HB LEU 10 4.002 9.376 2.441
79 HG LEU 10 HG LEU 10 1.609 9.978 0.802
80 HD11 LEU 10 1HD1 LEU 10 2.458 7.554 0.342
81 HD12 LEU 10 2HD1 LEU 10 0.758 7.845 0.708
82 HD13 LEU 10 3HD1 LEU 10 1.838 7.241 1.964
83 HD21 LEU 10 1HD2 LEU 10 0.651 10.202 2.808
84 HD22 LEU 10 2HD2 LEU 10 2.293 10.173 3.451
85 HD23 LEU 10 3HD2 LEU 10 1.338 8.691 3.404
86 H GLN 11 H GLN 11 6.488 10.495 1.533
87 HA GLN 11 HA GLN 11 6.725 11.440 4.131
88 HB2 GLN 11 2HB GLN 11 8.600 10.814 1.932
89 HB3 GLN 11 3HB GLN 11 9.225 11.869 3.193
90 HG2 GLN 11 2HG GLN 11 8.236 10.034 4.781
91 HG3 GLN 11 3HG GLN 11 8.380 9.022 3.345
92 HE21 GLN 11 1HE2 GLN 11 10.200 7.944 3.214
93 HE22 GLN 11 2HE2 GLN 11 11.725 8.424 3.865
94 H THR 12 H THR 12 6.763 13.166 1.107
95 HA THR 12 HA THR 12 7.845 15.596 2.173
96 HB THR 12 HB THR 12 6.444 14.952 -0.419
97 HG1 THR 12 HG1 THR 12 9.104 15.840 0.068
98 HG21 THR 12 1HG2 THR 12 7.413 17.320 -1.005
99 HG22 THR 12 2HG2 THR 12 7.240 17.591 0.730
100 HG23 THR 12 3HG2 THR 12 5.831 17.167 -0.242
101 H ALA 13 H ALA 13 4.590 14.699 1.013
102 HA ALA 13 HA ALA 13 3.230 16.988 1.707
103 HB1 ALA 13 1HB ALA 13 1.619 15.774 0.784
104 HB2 ALA 13 2HB ALA 13 2.545 14.291 1.019
105 HB3 ALA 13 3HB ALA 13 1.478 14.877 2.296
106 H LYS 14 H LYS 14 3.902 14.163 3.748
107 HA LYS 14 HA LYS 14 2.544 15.169 6.033
108 HB2 LYS 14 2HB LYS 14 3.880 12.779 5.298
109 HB3 LYS 14 3HB LYS 14 4.636 13.358 6.776
110 HG2 LYS 14 2HG LYS 14 2.753 13.057 8.025
111 HG3 LYS 14 3HG LYS 14 1.669 13.301 6.653
112 HD2 LYS 14 2HD LYS 14 2.225 11.114 5.780
113 HD3 LYS 14 3HD LYS 14 3.416 10.873 7.060
114 HE2 LYS 14 2HE LYS 14 0.481 11.324 7.569
115 HE3 LYS 14 3HE LYS 14 1.209 9.726 7.416
116 HZ1 LYS 14 1HZ LYS 14 1.275 11.568 9.624
117 HZ2 LYS 14 2HZ LYS 14 2.798 10.946 9.231
118 HZ3 LYS 14 3HZ LYS 14 1.526 9.895 9.604
119 H ASN 15 H ASN 15 5.961 15.099 5.073
120 HA ASN 15 HA ASN 15 7.062 16.226 7.365
121 HB2 ASN 15 2HB ASN 15 8.501 15.279 5.691
122 HB3 ASN 15 3HB ASN 15 7.930 16.419 4.477
123 HD21 ASN 15 1HD2 ASN 15 9.460 17.808 4.005
124 HD22 ASN 15 2HD2 ASN 15 10.529 18.572 5.127
125 H ILE 16 H ILE 16 5.181 17.671 4.859
126 HA ILE 16 HA ILE 16 6.010 20.369 5.286
127 HB ILE 16 HB ILE 16 3.530 19.244 3.986
128 HG12 ILE 16 2HG1 ILE 16 5.690 20.679 2.516
129 HG13 ILE 16 3HG1 ILE 16 6.016 19.035 3.053
130 HG21 ILE 16 1HG2 ILE 16 2.887 21.393 4.655
131 HG22 ILE 16 2HG2 ILE 16 4.478 22.071 4.314
132 HG23 ILE 16 3HG2 ILE 16 3.420 21.596 2.986
133 HD11 ILE 16 1HD1 ILE 16 4.993 18.305 1.238
134 HD12 ILE 16 2HD1 ILE 16 3.484 18.975 1.859
135 HD13 ILE 16 3HD1 ILE 16 4.510 19.944 0.802
136 H THR 17 H THR 17 3.047 18.596 6.178
137 HA THR 17 HA THR 17 2.141 20.719 7.890
138 HB THR 17 HB THR 17 0.957 18.026 8.215
139 HG1 THR 17 HG1 THR 17 0.498 19.475 5.814
140 HG21 THR 17 1HG2 THR 17 -1.055 19.690 7.555
141 HG22 THR 17 2HG2 THR 17 0.118 20.859 8.161
142 HG23 THR 17 3HG2 THR 17 -0.422 19.536 9.194
143 H GLU 18 H GLU 18 4.316 18.151 8.234
144 HA GLU 18 HA GLU 18 3.888 17.778 11.076
145 HB2 GLU 18 2HB GLU 18 5.791 16.616 9.064
146 HB3 GLU 18 3HB GLU 18 6.060 16.390 10.786
147 HG2 GLU 18 2HG GLU 18 3.505 15.639 9.395
148 HG3 GLU 18 3HG GLU 18 4.854 14.529 9.631
149 H ARG 19 H ARG 19 6.213 19.344 8.936
150 HA ARG 19 HA ARG 19 8.033 20.093 10.990
151 HB2 ARG 19 2HB ARG 19 8.474 19.941 8.471
152 HB3 ARG 19 3HB ARG 19 7.701 21.516 8.356
153 HG2 ARG 19 2HG ARG 19 9.515 21.939 10.343
154 HG3 ARG 19 3HG ARG 19 10.367 20.791 9.307
155 HD2 ARG 19 2HD ARG 19 9.984 22.235 7.379
156 HD3 ARG 19 3HD ARG 19 9.097 23.371 8.395
157 HE ARG 19 HE ARG 19 11.632 23.018 9.506
158 HH11 ARG 19 1HH1 ARG 19 11.426 25.508 6.378
159 HH12 ARG 19 2HH1 ARG 19 10.177 24.335 6.631
160 HH21 ARG 19 1HH2 ARG 19 13.194 25.633 7.830
161 HH22 ARG 19 2HH2 ARG 19 13.284 24.558 9.184
162 H VAL 20 H VAL 20 5.204 21.587 9.551
163 HA VAL 20 HA VAL 20 5.588 24.168 10.684
164 HB VAL 20 HB VAL 20 4.141 23.883 8.755
165 HG11 VAL 20 1HG1 VAL 20 2.269 22.552 8.663
166 HG12 VAL 20 2HG1 VAL 20 3.312 21.590 9.713
167 HG13 VAL 20 3HG1 VAL 20 2.029 22.580 10.409
168 HG21 VAL 20 1HG2 VAL 20 3.397 25.240 11.168
169 HG22 VAL 20 2HG2 VAL 20 3.162 25.737 9.493
170 HG23 VAL 20 3HG2 VAL 20 1.950 24.737 10.294
171 H SER 21 H SER 21 3.662 21.345 11.641
172 HA SER 21 HA SER 21 2.371 22.444 13.846
173 HB2 SER 21 2HB SER 21 2.448 19.964 12.665
174 HB3 SER 21 3HB SER 21 3.216 19.657 14.223
175 HG SER 21 HG SER 21 1.310 19.739 15.074
176 H MET 22 H MET 22 5.429 20.614 13.772
177 HA MET 22 HA MET 22 6.030 20.844 16.492
178 HB2 MET 22 2HB MET 22 7.579 20.257 14.025
179 HB3 MET 22 3HB MET 22 8.494 20.703 15.459
180 HG2 MET 22 2HG MET 22 7.178 18.900 16.670
181 HG3 MET 22 3HG MET 22 6.662 18.362 15.073
182 HE1 MET 22 1HE MET 22 8.538 17.141 13.244
183 HE2 MET 22 2HE MET 22 8.855 18.876 13.264
184 HE3 MET 22 3HE MET 22 10.191 17.733 13.410
185 H ALA 23 H ALA 23 6.825 22.956 13.768
186 HA ALA 23 HA ALA 23 8.491 24.736 15.179
187 HB1 ALA 23 1HB ALA 23 7.312 26.251 13.188
188 HB2 ALA 23 2HB ALA 23 8.797 25.309 13.048
189 HB3 ALA 23 3HB ALA 23 7.256 24.605 12.558
190 H THR 24 H THR 24 5.116 25.237 14.124
191 HA THR 24 HA THR 24 4.642 27.580 15.528
192 HB THR 24 HB THR 24 2.423 25.596 15.280
193 HG1 THR 24 HG1 THR 24 2.888 25.302 13.241
194 HG21 THR 24 1HG2 THR 24 1.263 27.466 15.633
195 HG22 THR 24 2HG2 THR 24 1.835 28.069 14.077
196 HG23 THR 24 3HG2 THR 24 2.731 28.439 15.550
197 H ALA 25 H ALA 25 4.281 24.224 16.582
198 HA ALA 25 HA ALA 25 3.046 24.717 19.050
199 HB1 ALA 25 1HB ALA 25 4.812 22.465 18.121
200 HB2 ALA 25 2HB ALA 25 4.015 22.483 19.694
201 HB3 ALA 25 3HB ALA 25 3.051 22.498 18.218
202 H SER 26 H SER 26 6.428 24.747 18.086
203 HA SER 26 HA SER 26 7.249 25.311 20.839
204 HB2 SER 26 2HB SER 26 8.480 24.001 18.596
205 HB3 SER 26 3HB SER 26 9.494 25.345 19.119
206 HG SER 26 HG SER 26 9.802 24.402 21.022
207 H SER 27 H SER 27 6.007 27.076 18.491
208 HA SER 27 HA SER 27 7.915 29.296 18.685
209 HB2 SER 27 2HB SER 27 6.119 28.354 16.621
210 HB3 SER 27 3HB SER 27 5.809 30.050 16.990
211 HG SER 27 HG SER 27 8.440 29.117 16.606
212 H GLN 28 H GLN 28 4.608 28.374 19.414
213 HA GLN 28 HA GLN 28 4.335 30.851 20.983
214 HB2 GLN 28 2HB GLN 28 2.279 29.475 19.261
215 HB3 GLN 28 3HB GLN 28 1.843 30.639 20.504
216 HG2 GLN 28 2HG GLN 28 3.089 32.369 19.388
217 HG3 GLN 28 3HG GLN 28 3.681 31.215 18.193
218 HE21 GLN 28 1HE2 GLN 28 0.869 32.926 19.374
219 HE22 GLN 28 2HE2 GLN 28 -0.077 32.758 17.938
220 H VAL 29 H VAL 29 2.275 27.980 20.634
221 HA VAL 29 HA VAL 29 3.026 26.683 22.995
222 HB VAL 29 HB VAL 29 2.203 28.599 24.205
223 HG11 VAL 29 1HG1 VAL 29 -0.446 28.189 22.826
224 HG12 VAL 29 2HG1 VAL 29 -0.040 29.445 23.997
225 HG13 VAL 29 3HG1 VAL 29 0.719 29.443 22.404
226 HG21 VAL 29 1HG2 VAL 29 1.777 26.394 25.171
227 HG22 VAL 29 2HG2 VAL 29 0.507 27.538 25.604
228 HG23 VAL 29 3HG2 VAL 29 0.217 26.332 24.350
229 H LEU 30 H LEU 30 0.470 27.476 20.731
230 HA LEU 30 HA LEU 30 -1.028 26.182 19.610
231 HB2 LEU 30 2HB LEU 30 1.121 24.695 19.574
232 HB3 LEU 30 3HB LEU 30 0.213 23.699 20.710
233 HG LEU 30 HG LEU 30 -1.546 24.112 18.599
234 HD11 LEU 30 1HD1 LEU 30 -0.135 24.838 16.964
235 HD12 LEU 30 2HD1 LEU 30 0.066 23.097 16.771
236 HD13 LEU 30 3HD1 LEU 30 1.270 24.030 17.659
237 HD21 LEU 30 1HD2 LEU 30 0.031 21.920 19.755
238 HD22 LEU 30 2HD2 LEU 30 -0.514 21.657 18.098
239 HD23 LEU 30 3HD2 LEU 30 -1.688 22.005 19.368
240 H ILE 31 H ILE 31 -2.493 27.065 21.285
241 HA ILE 31 HA ILE 31 -3.919 24.886 22.564
242 HB ILE 31 HB ILE 31 -4.102 26.160 24.724
243 HG12 ILE 31 2HG1 ILE 31 -1.574 27.505 24.530
244 HG13 ILE 31 3HG1 ILE 31 -2.633 28.081 23.248
245 HG21 ILE 31 1HG2 ILE 31 -1.359 25.166 23.960
246 HG22 ILE 31 2HG2 ILE 31 -1.972 25.341 25.603
247 HG23 ILE 31 3HG2 ILE 31 -2.708 24.171 24.508
248 HD11 ILE 31 1HD1 ILE 31 -2.789 28.473 26.151
249 HD12 ILE 31 2HD1 ILE 31 -3.324 29.509 24.828
250 HD13 ILE 31 3HD1 ILE 31 -4.323 28.151 25.344
251 HA PRO 32 HA PRO 32 -7.441 27.246 21.423
252 HB2 PRO 32 2HB PRO 32 -9.221 26.485 23.326
253 HB3 PRO 32 3HB PRO 32 -8.705 25.420 22.013
254 HG2 PRO 32 2HG PRO 32 -7.761 25.520 24.852
255 HG3 PRO 32 3HG PRO 32 -8.135 24.108 23.846
256 HD2 PRO 32 2HD PRO 32 -5.601 24.957 24.282
257 HD3 PRO 32 3HD PRO 32 -6.101 24.184 22.764
258 H GLU 33 H GLU 33 -7.069 29.402 21.703
259 HA GLU 33 HA GLU 33 -7.518 30.500 24.401
260 HB2 GLU 33 2HB GLU 33 -5.474 31.024 22.410
261 HB3 GLU 33 3HB GLU 33 -6.319 32.497 22.863
262 HG2 GLU 33 2HG GLU 33 -5.512 30.770 25.099
263 HG3 GLU 33 3HG GLU 33 -4.194 31.495 24.180
264 H ILE 34 H ILE 34 -7.546 31.946 21.154
265 HA ILE 34 HA ILE 34 -10.322 32.250 20.927
266 HB ILE 34 HB ILE 34 -10.199 33.729 22.831
267 HG12 ILE 34 2HG1 ILE 34 -10.479 35.296 20.257
268 HG13 ILE 34 3HG1 ILE 34 -11.744 34.337 21.018
269 HG21 ILE 34 1HG2 ILE 34 -7.781 34.272 22.560
270 HG22 ILE 34 2HG2 ILE 34 -8.229 35.399 21.281
271 HG23 ILE 34 3HG2 ILE 34 -8.796 35.666 22.930
272 HD11 ILE 34 1HD1 ILE 34 -12.200 36.562 21.585
273 HD12 ILE 34 2HD1 ILE 34 -11.473 35.855 23.028
274 HD13 ILE 34 3HD1 ILE 34 -10.514 36.896 21.977
275 H ASN 35 H ASN 35 -7.165 33.688 20.276
276 HA ASN 35 HA ASN 35 -8.068 34.291 17.537
277 HB2 ASN 35 2HB ASN 35 -6.041 35.617 19.318
278 HB3 ASN 35 3HB ASN 35 -5.956 35.799 17.568
279 HD21 ASN 35 1HD2 ASN 35 -7.793 36.723 16.484
280 HD22 ASN 35 2HD2 ASN 35 -8.804 37.847 17.320
281 H LEU 36 H LEU 36 -5.663 32.701 19.502
282 HA LEU 36 HA LEU 36 -3.678 32.147 17.669
283 HB2 LEU 36 2HB LEU 36 -3.436 31.564 19.982
284 HB3 LEU 36 3HB LEU 36 -4.781 30.430 19.885
285 HG LEU 36 HG LEU 36 -2.437 29.926 18.133
286 HD11 LEU 36 1HD1 LEU 36 -1.486 30.571 20.348
287 HD12 LEU 36 2HD1 LEU 36 -1.149 28.910 19.865
288 HD13 LEU 36 3HD1 LEU 36 -2.397 29.242 21.066
289 HD21 LEU 36 1HD2 LEU 36 -3.800 28.174 17.833
290 HD22 LEU 36 2HD2 LEU 36 -4.684 28.477 19.328
291 HD23 LEU 36 3HD2 LEU 36 -3.151 27.605 19.371
292 H ASN 37 H ASN 37 -6.795 30.562 18.098
293 HA ASN 37 HA ASN 37 -6.410 28.339 16.465
294 HB2 ASN 37 2HB ASN 37 -8.842 29.941 17.208
295 HB3 ASN 37 3HB ASN 37 -8.966 28.596 16.078
296 HD21 ASN 37 1HD2 ASN 37 -10.359 28.527 18.396
297 HD22 ASN 37 2HD2 ASN 37 -9.689 27.343 19.462
298 H ASP 38 H ASP 38 -7.693 31.547 15.611
299 HA ASP 38 HA ASP 38 -8.102 31.050 12.888
300 HB2 ASP 38 2HB ASP 38 -7.909 33.425 14.619
301 HB3 ASP 38 3HB ASP 38 -7.492 33.712 12.932
302 H THR 39 H THR 39 -5.314 32.558 14.511
303 HA THR 39 HA THR 39 -3.738 32.969 12.251
304 HB THR 39 HB THR 39 -2.025 32.251 14.419
305 HG1 THR 39 HG1 THR 39 -2.963 33.677 16.008
306 HG21 THR 39 1HG2 THR 39 -1.540 33.984 12.786
307 HG22 THR 39 2HG2 THR 39 -1.543 34.673 14.409
308 HG23 THR 39 3HG2 THR 39 -2.923 34.926 13.341
309 H PHE 40 H PHE 40 -3.623 30.234 14.539
310 HA PHE 40 HA PHE 40 -1.701 28.738 13.169
311 HB2 PHE 40 2HB PHE 40 -2.527 28.342 15.518
312 HB3 PHE 40 3HB PHE 40 -3.962 27.600 14.819
313 HD1 PHE 40 HD1 PHE 40 -0.392 27.335 13.810
314 HD2 PHE 40 HD2 PHE 40 -3.834 25.353 15.341
315 HE1 PHE 40 HE1 PHE 40 0.792 25.182 13.676
316 HE2 PHE 40 HE2 PHE 40 -2.655 23.197 15.209
317 HZ PHE 40 HZ PHE 40 -0.339 23.110 14.377
318 H ASP 41 H ASP 41 -5.213 28.827 12.854
319 HA ASP 41 HA ASP 41 -5.563 26.638 11.163
320 HB2 ASP 41 2HB ASP 41 -7.097 29.072 11.833
321 HB3 ASP 41 3HB ASP 41 -7.495 28.331 10.285
322 H THR 42 H THR 42 -5.358 30.071 10.207
323 HA THR 42 HA THR 42 -5.220 29.637 7.456
324 HB THR 42 HB THR 42 -5.389 31.862 8.935
325 HG1 THR 42 HG1 THR 42 -4.180 32.038 6.381
326 HG21 THR 42 1HG2 THR 42 -2.907 31.575 9.504
327 HG22 THR 42 2HG2 THR 42 -3.433 33.165 8.952
328 HG23 THR 42 3HG2 THR 42 -2.597 32.078 7.843
329 H PHE 43 H PHE 43 -2.798 29.315 9.910
330 HA PHE 43 HA PHE 43 -0.541 29.443 8.152
331 HB2 PHE 43 2HB PHE 43 -0.509 29.891 10.649
332 HB3 PHE 43 3HB PHE 43 -0.634 28.149 10.879
333 HD1 PHE 43 HD1 PHE 43 1.421 27.657 11.879
334 HD2 PHE 43 HD2 PHE 43 1.315 29.931 8.283
335 HE1 PHE 43 HE1 PHE 43 3.866 27.458 11.685
336 HE2 PHE 43 HE2 PHE 43 3.759 29.735 8.082
337 HZ PHE 43 HZ PHE 43 5.038 28.496 9.784
338 H ALA 44 H ALA 44 -2.214 26.780 9.822
339 HA ALA 44 HA ALA 44 -0.690 24.727 8.594
340 HB1 ALA 44 1HB ALA 44 -1.875 23.304 9.883
341 HB2 ALA 44 2HB ALA 44 -2.354 24.790 10.706
342 HB3 ALA 44 3HB ALA 44 -3.417 24.068 9.499
343 H LEU 45 H LEU 45 -3.928 26.039 7.936
344 HA LEU 45 HA LEU 45 -4.782 24.386 5.936
345 HB2 LEU 45 2HB LEU 45 -5.783 26.582 6.994
346 HB3 LEU 45 3HB LEU 45 -5.114 27.319 5.540
347 HG LEU 45 HG LEU 45 -7.384 26.880 5.076
348 HD11 LEU 45 1HD1 LEU 45 -5.716 26.206 3.334
349 HD12 LEU 45 2HD1 LEU 45 -7.284 25.410 3.210
350 HD13 LEU 45 3HD1 LEU 45 -5.906 24.542 3.888
351 HD21 LEU 45 1HD2 LEU 45 -8.577 25.255 6.019
352 HD22 LEU 45 2HD2 LEU 45 -7.135 24.851 6.951
353 HD23 LEU 45 3HD2 LEU 45 -7.472 24.009 5.438
354 H ASP 46 H ASP 46 -3.012 27.431 5.351
355 HA ASP 46 HA ASP 46 -2.605 27.193 2.650
356 HB2 ASP 46 2HB ASP 46 -1.763 28.938 4.570
357 HB3 ASP 46 3HB ASP 46 -0.244 28.171 4.116
358 H PHE 47 H PHE 47 -0.490 25.940 5.223
359 HA PHE 47 HA PHE 47 1.457 24.796 3.595
360 HB2 PHE 47 2HB PHE 47 0.618 24.565 6.391
361 HB3 PHE 47 3HB PHE 47 1.339 23.089 5.757
362 HD1 PHE 47 HD1 PHE 47 3.441 23.898 4.043
363 HD2 PHE 47 HD2 PHE 47 2.133 25.716 7.663
364 HE1 PHE 47 HE1 PHE 47 5.685 24.853 4.370
365 HE2 PHE 47 HE2 PHE 47 4.375 26.675 7.995
366 HZ PHE 47 HZ PHE 47 6.154 26.245 6.347
367 H SER 48 H SER 48 -1.499 23.342 4.925
368 HA SER 48 HA SER 48 -1.203 20.759 3.999
369 HB2 SER 48 2HB SER 48 -3.048 21.636 5.482
370 HB3 SER 48 3HB SER 48 -3.830 22.257 4.029
371 HG SER 48 HG SER 48 -3.939 19.803 5.026
372 H ARG 49 H ARG 49 -2.535 23.567 2.296
373 HA ARG 49 HA ARG 49 -3.444 22.371 -0.013
374 HB2 ARG 49 2HB ARG 49 -3.398 24.882 0.760
375 HB3 ARG 49 3HB ARG 49 -1.928 24.944 -0.203
376 HG2 ARG 49 2HG ARG 49 -3.357 23.930 -2.080
377 HG3 ARG 49 3HG ARG 49 -4.736 24.420 -1.094
378 HD2 ARG 49 2HD ARG 49 -3.645 26.730 -1.038
379 HD3 ARG 49 3HD ARG 49 -2.620 26.144 -2.347
380 HE ARG 49 HE ARG 49 -5.261 25.633 -3.058
381 HH11 ARG 49 1HH1 ARG 49 -4.053 29.419 -3.539
382 HH12 ARG 49 2HH1 ARG 49 -3.200 28.372 -2.454
383 HH21 ARG 49 1HH2 ARG 49 -5.870 28.639 -4.696
384 HH22 ARG 49 2HH2 ARG 49 -6.393 27.002 -4.490
385 H GLU 50 H GLU 50 -0.138 23.371 0.778
386 HA GLU 50 HA GLU 50 0.952 22.636 -1.749
387 HB2 GLU 50 2HB GLU 50 1.867 24.174 0.235
388 HB3 GLU 50 3HB GLU 50 2.681 22.677 0.669
389 HG2 GLU 50 2HG GLU 50 3.421 22.651 -1.812
390 HG3 GLU 50 3HG GLU 50 3.006 24.364 -1.771
391 H LYS 51 H LYS 51 0.161 20.913 1.126
392 HA LYS 51 HA LYS 51 1.915 18.686 0.651
393 HB2 LYS 51 2HB LYS 51 1.413 18.840 2.894
394 HB3 LYS 51 3HB LYS 51 -0.249 19.334 2.599
395 HG2 LYS 51 2HG LYS 51 -0.117 16.757 1.587
396 HG3 LYS 51 3HG LYS 51 0.842 16.701 3.068
397 HD2 LYS 51 2HD LYS 51 -1.122 16.435 4.113
398 HD3 LYS 51 3HD LYS 51 -1.341 18.165 3.840
399 HE2 LYS 51 2HE LYS 51 -3.299 16.882 3.124
400 HE3 LYS 51 3HE LYS 51 -2.530 17.704 1.767
401 HZ1 LYS 51 1HZ LYS 51 -1.706 15.728 0.930
402 HZ2 LYS 51 2HZ LYS 51 -3.233 15.267 1.493
403 HZ3 LYS 51 3HZ LYS 51 -1.852 14.905 2.401
404 H LYS 52 H LYS 52 -1.595 19.214 0.366
405 HA LYS 52 HA LYS 52 -2.116 16.671 -0.790
406 HB2 LYS 52 2HB LYS 52 -4.329 17.685 -1.381
407 HB3 LYS 52 3HB LYS 52 -3.905 17.813 0.321
408 HG2 LYS 52 2HG LYS 52 -2.912 20.147 -0.721
409 HG3 LYS 52 3HG LYS 52 -4.393 19.898 -1.650
410 HD2 LYS 52 2HD LYS 52 -5.196 19.306 0.901
411 HD3 LYS 52 3HD LYS 52 -4.033 20.607 1.166
412 HE2 LYS 52 2HE LYS 52 -5.290 21.837 -0.705
413 HE3 LYS 52 3HE LYS 52 -6.561 20.641 -0.451
414 HZ1 LYS 52 1HZ LYS 52 -5.620 21.849 1.982
415 HZ2 LYS 52 2HZ LYS 52 -7.202 21.627 1.428
416 HZ3 LYS 52 3HZ LYS 52 -6.305 22.964 0.910
417 H LEU 53 H LEU 53 -1.235 19.793 -2.077
418 HA LEU 53 HA LEU 53 -1.891 19.154 -4.796
419 HB2 LEU 53 2HB LEU 53 -1.885 21.457 -4.002
420 HB3 LEU 53 3HB LEU 53 -0.165 21.339 -3.640
421 HG LEU 53 HG LEU 53 -0.774 20.735 -6.424
422 HD11 LEU 53 1HD1 LEU 53 -2.337 22.315 -6.715
423 HD12 LEU 53 2HD1 LEU 53 -0.980 23.436 -6.611
424 HD13 LEU 53 3HD1 LEU 53 -1.965 23.110 -5.185
425 HD21 LEU 53 1HD2 LEU 53 1.420 21.391 -5.084
426 HD22 LEU 53 2HD2 LEU 53 0.912 23.015 -5.547
427 HD23 LEU 53 3HD2 LEU 53 1.207 21.796 -6.787
428 H LEU 54 H LEU 54 0.805 18.639 -2.713
429 HA LEU 54 HA LEU 54 2.703 18.219 -4.851
430 HB2 LEU 54 2HB LEU 54 3.410 19.115 -2.681
431 HB3 LEU 54 3HB LEU 54 2.903 17.617 -1.903
432 HG LEU 54 HG LEU 54 5.409 17.996 -2.369
433 HD11 LEU 54 1HD1 LEU 54 3.838 15.746 -2.093
434 HD12 LEU 54 2HD1 LEU 54 5.597 15.811 -1.986
435 HD13 LEU 54 3HD1 LEU 54 4.822 15.394 -3.514
436 HD21 LEU 54 1HD2 LEU 54 4.900 16.777 -5.024
437 HD22 LEU 54 2HD2 LEU 54 6.234 17.794 -4.478
438 HD23 LEU 54 3HD2 LEU 54 4.675 18.520 -4.871
439 H GLU 55 H GLU 55 0.407 16.357 -3.091
440 HA GLU 55 HA GLU 55 1.599 13.853 -4.066
441 HB2 GLU 55 2HB GLU 55 0.823 14.363 -1.566
442 HB3 GLU 55 3HB GLU 55 -0.727 13.841 -2.209
443 HG2 GLU 55 2HG GLU 55 0.676 11.820 -3.107
444 HG3 GLU 55 3HG GLU 55 1.782 12.294 -1.819
445 H CYS 56 H CYS 56 -1.694 15.108 -3.504
446 HA CYS 56 HA CYS 56 -2.643 13.574 -5.793
447 HB2 CYS 56 2HB CYS 56 -3.773 13.925 -3.393
448 HB3 CYS 56 3HB CYS 56 -4.487 15.302 -4.224
449 HG CYS 56 HG CYS 56 -6.476 13.620 -4.618
450 H LEU 57 H LEU 57 -4.167 14.622 -7.319
451 HA LEU 57 HA LEU 57 -3.124 17.249 -8.091
452 HB2 LEU 57 2HB LEU 57 -4.334 14.960 -9.547
453 HB3 LEU 57 3HB LEU 57 -4.567 16.576 -10.211
454 HG LEU 57 HG LEU 57 -1.864 15.380 -9.619
455 HD11 LEU 57 1HD1 LEU 57 -2.993 14.052 -11.319
456 HD12 LEU 57 2HD1 LEU 57 -1.683 14.998 -12.025
457 HD13 LEU 57 3HD1 LEU 57 -3.355 15.515 -12.236
458 HD21 LEU 57 1HD2 LEU 57 -1.673 17.302 -11.602
459 HD22 LEU 57 2HD2 LEU 57 -1.210 17.488 -9.910
460 HD23 LEU 57 3HD2 LEU 57 -2.814 17.990 -10.446
461 H ASP 58 H ASP 58 -4.319 19.028 -7.921
462 HA ASP 58 HA ASP 58 -7.123 19.110 -8.309
463 HB2 ASP 58 2HB ASP 58 -7.020 18.053 -6.037
464 HB3 ASP 58 3HB ASP 58 -6.236 19.516 -5.448
465 H TYR 59 H TYR 59 -7.584 21.083 -9.028
466 HA TYR 59 HA TYR 59 -7.340 23.271 -9.604
467 HB2 TYR 59 2HB TYR 59 -7.792 23.285 -7.018
468 HB3 TYR 59 3HB TYR 59 -6.121 23.829 -6.926
469 HD1 TYR 59 HD1 TYR 59 -9.248 24.615 -8.822
470 HD2 TYR 59 HD2 TYR 59 -5.743 26.103 -6.926
471 HE1 TYR 59 HE1 TYR 59 -9.980 26.916 -9.290
472 HE2 TYR 59 HE2 TYR 59 -6.465 28.409 -7.387
473 HH TYR 59 HH TYR 59 -8.481 29.307 -9.543
474 H LEU 60 H LEU 60 -5.681 22.767 -11.136
475 HA LEU 60 HA LEU 60 -3.627 22.948 -12.104
476 HB2 LEU 60 2HB LEU 60 -4.256 25.339 -11.315
477 HB3 LEU 60 3HB LEU 60 -2.986 25.093 -10.118
478 HG LEU 60 HG LEU 60 -1.741 24.423 -12.479
479 HD11 LEU 60 1HD1 LEU 60 -3.124 26.989 -13.101
480 HD12 LEU 60 2HD1 LEU 60 -3.911 25.463 -13.502
481 HD13 LEU 60 3HD1 LEU 60 -2.329 25.844 -14.182
482 HD21 LEU 60 1HD2 LEU 60 -0.695 25.695 -10.754
483 HD22 LEU 60 2HD2 LEU 60 -1.839 27.022 -10.957
484 HD23 LEU 60 3HD2 LEU 60 -0.664 26.669 -12.224