Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16605 | 2afp RC | 4452 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLN 1 2HT GLN 1 -31.617 2.877 2.877
2 2H GLN 1 1HT GLN 1 -32.654 2.889 2.889
3 3H GLN 1 3HT GLN 1 -31.414 1.736 1.736
4 HA GLN 1 HA GLN 1 -30.570 3.286 3.286
5 1HB GLN 1 2HB GLN 1 -32.064 5.170 5.170
6 2HB GLN 1 1HB GLN 1 -30.611 5.791 5.791
7 1HG GLN 1 2HG GLN 1 -32.239 6.232 6.232
8 2HG GLN 1 1HG GLN 1 -31.631 4.664 4.664
9 H ARG 2 H ARG 2 -28.573 2.494 2.494
10 HA ARG 2 HA ARG 2 -27.006 3.919 3.919
11 1HB ARG 2 2HB ARG 2 -25.954 1.735 1.735
12 2HB ARG 2 1HB ARG 2 -27.629 1.941 1.941
13 1HG ARG 2 2HG ARG 2 -27.250 0.677 0.677
14 2HG ARG 2 1HG ARG 2 -26.722 -0.281 -0.281
15 1HD ARG 2 2HD ARG 2 -29.019 0.369 0.369
16 2HD ARG 2 1HD ARG 2 -29.472 0.777 0.777
17 HE ARG 2 HE ARG 2 -28.821 -1.619 -1.619
18 1HH1 ARG 2 1HH2 ARG 2 -28.057 -2.017 -2.017
19 2HH1 ARG 2 2HH2 ARG 2 -29.416 -2.942 -2.942
20 1HH2 ARG 2 1HH1 ARG 2 -31.360 -2.215 -2.215
21 2HH2 ARG 2 2HH1 ARG 2 -31.286 -3.055 -3.055
22 H ALA 3 H ALA 3 -26.218 4.922 4.922
23 HA ALA 3 HA ALA 3 -24.724 3.304 3.304
24 1HB ALA 3 3HB ALA 3 -25.963 5.519 5.519
25 2HB ALA 3 2HB ALA 3 -24.554 6.301 6.301
26 3HB ALA 3 1HB ALA 3 -24.366 5.287 5.287
27 H GLY 4 H GLY 4 -22.750 2.579 2.579
28 1HA GLY 4 2HA GLY 4 -20.508 4.027 4.027
29 2HA GLY 4 1HA GLY 4 -21.159 3.539 3.539
30 HA PRO 5 HA PRO 5 -19.840 -0.479 -0.479
31 1HB PRO 5 2HB PRO 5 -18.276 -0.216 -0.216
32 2HB PRO 5 1HB PRO 5 -20.044 -0.285 -0.285
33 1HG PRO 5 2HG PRO 5 -18.248 2.026 2.026
34 2HG PRO 5 1HG PRO 5 -19.899 1.765 1.765
35 1HD PRO 5 2HD PRO 5 -19.103 3.379 3.379
36 2HD PRO 5 1HD PRO 5 -20.766 2.948 2.948
37 H ASN 6 H ASN 6 -17.216 1.751 1.751
38 HA ASN 6 HA ASN 6 -15.554 0.977 0.977
39 1HB ASN 6 2HB ASN 6 -15.015 -0.052 -0.052
40 2HB ASN 6 1HB ASN 6 -13.689 0.251 0.251
41 1HD2 ASN 6 1HD2 ASN 6 -15.359 -2.285 -2.285
42 2HD2 ASN 6 2HD2 ASN 6 -15.503 -3.212 -3.212
43 H CYS 7 H CYS 7 -14.871 2.035 2.035
44 HA CYS 7 HA CYS 7 -13.471 4.382 4.382
45 1HB CYS 7 2HB CYS 7 -13.315 2.773 2.773
46 2HB CYS 7 1HB CYS 7 -13.191 4.509 4.509
47 HA PRO 8 HA PRO 8 -16.621 7.191 7.191
48 1HB PRO 8 2HB PRO 8 -15.210 9.328 9.328
49 2HB PRO 8 1HB PRO 8 -15.312 8.900 8.900
50 1HG PRO 8 2HG PRO 8 -13.051 8.585 8.585
51 2HG PRO 8 1HG PRO 8 -13.037 8.754 8.754
52 1HD PRO 8 2HD PRO 8 -12.723 6.342 6.342
53 2HD PRO 8 1HD PRO 8 -12.961 6.491 6.491
54 H ALA 9 H ALA 9 -14.126 7.618 7.618
55 HA ALA 9 HA ALA 9 -15.633 6.485 6.485
56 1HB ALA 9 1HB ALA 9 -15.978 9.426 9.426
57 2HB ALA 9 3HB ALA 9 -15.961 8.807 8.807
58 3HB ALA 9 2HB ALA 9 -17.171 8.229 8.229
59 H GLY 10 H GLY 10 -14.627 6.807 6.807
60 1HA GLY 10 2HA GLY 10 -12.788 6.946 6.946
61 2HA GLY 10 1HA GLY 10 -12.299 8.342 8.342
62 H TRP 11 H TRP 11 -12.770 5.033 5.033
63 HA TRP 11 HA TRP 11 -9.881 4.631 4.631
64 1HB TRP 11 2HB TRP 11 -11.677 5.218 5.218
65 2HB TRP 11 1HB TRP 11 -10.650 3.805 3.805
66 HD1 TRP 11 HD TRP 11 -10.601 7.501 7.501
67 HE1 TRP 11 1HE TRP 11 -8.190 8.363 8.363
68 HE3 TRP 11 3HE TRP 11 -7.997 3.208 3.208
69 HZ2 TRP 11 2HZ TRP 11 -5.514 7.364 7.364
70 HZ3 TRP 11 3HZ TRP 11 -5.518 3.190 3.190
71 HH2 TRP 11 HH TRP 11 -4.276 5.264 5.264
72 H GLN 12 H GLN 12 -9.797 2.366 2.366
73 HA GLN 12 HA GLN 12 -11.712 0.529 0.529
74 1HB GLN 12 2HB GLN 12 -8.828 0.676 0.676
75 2HB GLN 12 1HB GLN 12 -9.361 -0.930 -0.930
76 1HG GLN 12 2HG GLN 12 -10.616 -1.251 -1.251
77 2HG GLN 12 1HG GLN 12 -10.982 0.466 0.466
78 HA PRO 13 HA PRO 13 -11.380 -0.596 -0.596
79 1HB PRO 13 2HB PRO 13 -14.052 -0.986 -0.986
80 2HB PRO 13 1HB PRO 13 -13.265 0.596 0.596
81 1HG PRO 13 2HG PRO 13 -15.060 -0.473 -0.473
82 2HG PRO 13 1HG PRO 13 -14.690 1.206 1.206
83 1HD PRO 13 2HD PRO 13 -13.628 -0.317 -0.317
84 2HD PRO 13 1HD PRO 13 -13.175 1.333 1.333
85 H LEU 14 H LEU 14 -10.533 -2.498 -2.498
86 HA LEU 14 HA LEU 14 -12.183 -4.756 -4.756
87 1HB LEU 14 2HB LEU 14 -9.812 -4.217 -4.217
88 2HB LEU 14 1HB LEU 14 -9.235 -5.025 -5.025
89 HG LEU 14 HG LEU 14 -11.060 -6.834 -6.834
90 1HD1 LEU 14 3HD1 LEU 14 -10.504 -5.162 -5.162
91 2HD1 LEU 14 2HD1 LEU 14 -10.558 -6.910 -6.910
92 3HD1 LEU 14 1HD1 LEU 14 -11.958 -6.064 -6.064
93 1HD2 LEU 14 1HD2 LEU 14 -8.304 -6.556 -6.556
94 2HD2 LEU 14 3HD2 LEU 14 -8.649 -7.248 -7.248
95 3HD2 LEU 14 2HD2 LEU 14 -9.223 -8.057 -8.057
96 H GLY 15 H GLY 15 -13.140 -5.945 -5.945
97 1HA GLY 15 2HA GLY 15 -13.249 -7.420 -7.420
98 2HA GLY 15 1HA GLY 15 -11.616 -6.945 -6.945
99 H ASP 16 H ASP 16 -11.290 -5.135 -5.135
100 HA ASP 16 HA ASP 16 -13.691 -3.839 -3.839
101 1HB ASP 16 2HB ASP 16 -11.465 -5.186 -5.186
102 2HB ASP 16 1HB ASP 16 -12.528 -3.980 -3.980
103 H ARG 17 H ARG 17 -10.131 -3.888 -3.888
104 HA ARG 17 HA ARG 17 -9.888 -1.090 -1.090
105 1HB ARG 17 2HB ARG 17 -7.817 -2.917 -2.917
106 2HB ARG 17 1HB ARG 17 -7.511 -1.398 -1.398
107 1HG ARG 17 2HG ARG 17 -8.160 -2.317 -2.317
108 2HG ARG 17 1HG ARG 17 -8.868 -3.743 -3.743
109 1HD ARG 17 2HD ARG 17 -5.936 -3.073 -3.073
110 2HD ARG 17 1HD ARG 17 -6.556 -4.045 -4.045
111 HE ARG 17 HE ARG 17 -7.038 -4.851 -4.851
112 1HH1 ARG 17 1HH2 ARG 17 -4.693 -5.291 -5.291
113 2HH1 ARG 17 2HH2 ARG 17 -4.838 -7.014 -7.014
114 1HH2 ARG 17 1HH1 ARG 17 -7.715 -7.158 -7.158
115 2HH2 ARG 17 2HH1 ARG 17 -6.548 -8.072 -8.072
116 H CYS 18 H CYS 18 -7.975 -0.292 -0.292
117 HA CYS 18 HA CYS 18 -9.446 -0.403 -0.403
118 1HB CYS 18 2HB CYS 18 -8.657 2.078 2.078
119 2HB CYS 18 1HB CYS 18 -8.894 2.103 2.103
120 H ILE 19 H ILE 19 -8.117 -0.721 -0.721
121 HA ILE 19 HA ILE 19 -5.325 0.098 0.098
122 HB ILE 19 HB ILE 19 -5.371 -2.220 -2.220
123 1HD1 ILE 19 1HD1 ILE 19 -3.350 -3.501 -3.501
124 2HD1 ILE 19 3HD1 ILE 19 -4.016 -4.279 -4.279
125 3HD1 ILE 19 2HD1 ILE 19 -2.432 -3.509 -3.509
126 H TYR 20 H TYR 20 -4.159 -0.003 -0.003
127 HA TYR 20 HA TYR 20 -5.946 0.117 0.117
128 1HB TYR 20 2HB TYR 20 -4.532 2.281 2.281
129 2HB TYR 20 1HB TYR 20 -3.754 1.939 1.939
130 HD1 TYR 20 2HD TYR 20 -7.295 2.025 2.025
131 HD2 TYR 20 1HD TYR 20 -4.560 3.136 3.136
132 HE1 TYR 20 2HE TYR 20 -9.130 3.149 3.149
133 HE2 TYR 20 1HE TYR 20 -6.409 4.258 4.258
134 HH TYR 20 HH TYR 20 -8.959 5.311 5.311
135 H TYR 21 H TYR 21 -4.694 0.024 0.024
136 HA TYR 21 HA TYR 21 -2.064 -1.166 -1.166
137 1HB TYR 21 2HB TYR 21 -3.813 -3.022 -3.022
138 2HB TYR 21 1HB TYR 21 -4.219 -2.926 -2.926
139 HD1 TYR 21 2HD TYR 21 -2.513 -3.460 -3.460
140 HD2 TYR 21 1HD TYR 21 -1.711 -3.942 -3.942
141 HE1 TYR 21 2HE TYR 21 -0.555 -4.879 -4.879
142 HE2 TYR 21 1HE TYR 21 0.248 -5.363 -5.363
143 HH TYR 21 HH TYR 21 0.827 -6.560 -6.560
144 H GLU 22 H GLU 22 -1.183 -1.388 -1.388
145 HA GLU 22 HA GLU 22 -2.864 -0.399 -0.399
146 1HB GLU 22 2HB GLU 22 -1.171 1.323 1.323
147 2HB GLU 22 1HB GLU 22 -0.113 0.682 0.682
148 1HG GLU 22 2HG GLU 22 -1.263 1.710 1.710
149 2HG GLU 22 1HG GLU 22 -2.829 1.368 1.368
150 H THR 23 H THR 23 -1.086 -0.285 -0.285
151 HA THR 23 HA THR 23 0.397 -2.828 -2.828
152 HB THR 23 HB THR 23 -0.565 -3.170 -3.170
153 HG1 THR 23 1HG THR 23 -2.601 -1.572 -1.572
154 H THR 24 H THR 24 -0.427 0.138 0.138
155 HA THR 24 HA THR 24 1.686 0.111 0.111
156 HB THR 24 HB THR 24 -0.097 1.704 1.704
157 HG1 THR 24 1HG THR 24 2.186 3.184 3.184
158 H ALA 25 H ALA 25 3.802 0.568 0.568
159 HA ALA 25 HA ALA 25 5.171 0.553 0.553
160 1HB ALA 25 1HB ALA 25 5.837 0.738 0.738
161 2HB ALA 25 3HB ALA 25 6.860 1.821 1.821
162 3HB ALA 25 2HB ALA 25 6.799 0.103 0.103
163 H MET 26 H MET 26 5.013 2.033 2.033
164 HA MET 26 HA MET 26 5.641 4.816 4.816
165 1HB MET 26 2HB MET 26 3.814 5.588 5.588
166 2HB MET 26 1HB MET 26 3.262 4.986 4.986
167 1HG MET 26 2HG MET 26 3.012 2.703 2.703
168 2HG MET 26 1HG MET 26 3.113 3.639 3.639
169 1HE MET 26 3HE MET 26 2.195 5.897 5.897
170 2HE MET 26 2HE MET 26 1.076 6.523 6.523
171 3HE MET 26 1HE MET 26 0.453 5.879 5.879
172 H THR 27 H THR 27 7.427 4.928 4.928
173 HA THR 27 HA THR 27 7.840 3.520 3.520
174 HB THR 27 HB THR 27 9.392 4.916 4.916
175 HG1 THR 27 1HG THR 27 11.047 3.667 3.667
176 H TRP 28 H TRP 28 8.862 4.734 4.734
177 HA TRP 28 HA TRP 28 7.352 5.853 5.853
178 1HB TRP 28 2HB TRP 28 10.088 5.874 5.874
179 2HB TRP 28 1HB TRP 28 9.701 7.540 7.540
180 HD1 TRP 28 HD TRP 28 10.336 4.180 4.180
181 HE1 TRP 28 1HE TRP 28 10.080 4.174 4.174
182 HE3 TRP 28 3HE TRP 28 8.166 8.742 8.742
183 HZ2 TRP 28 2HZ TRP 28 9.086 5.901 5.901
184 HZ3 TRP 28 3HZ TRP 28 7.580 9.544 9.544
185 HH2 TRP 28 HH TRP 28 8.036 8.131 8.131
186 H ALA 29 H ALA 29 8.969 7.964 7.964
187 HA ALA 29 HA ALA 29 7.764 10.371 10.371
188 1HB ALA 29 2HB ALA 29 9.715 9.875 9.875
189 2HB ALA 29 1HB ALA 29 8.422 9.831 9.831
190 3HB ALA 29 3HB ALA 29 8.691 11.290 11.290
191 H LEU 30 H LEU 30 6.835 8.178 8.178
192 HA LEU 30 HA LEU 30 4.476 9.676 9.676
193 1HB LEU 30 2HB LEU 30 5.475 6.945 6.945
194 2HB LEU 30 1HB LEU 30 3.874 7.511 7.511
195 HG LEU 30 HG LEU 30 6.436 9.042 9.042
196 1HD1 LEU 30 3HD1 LEU 30 6.064 6.746 6.746
197 2HD1 LEU 30 2HD1 LEU 30 4.814 7.607 7.607
198 3HD1 LEU 30 1HD1 LEU 30 6.490 8.151 8.151
199 1HD2 LEU 30 3HD2 LEU 30 3.524 9.450 9.450
200 2HD2 LEU 30 2HD2 LEU 30 4.760 10.634 10.634
201 3HD2 LEU 30 1HD2 LEU 30 4.680 9.993 9.993
202 H ALA 31 H ALA 31 5.072 6.695 6.695
203 HA ALA 31 HA ALA 31 2.340 6.142 6.142
204 1HB ALA 31 1HB ALA 31 4.108 4.434 4.434
205 2HB ALA 31 3HB ALA 31 4.801 5.307 5.307
206 3HB ALA 31 2HB ALA 31 3.195 4.588 4.588
207 H GLU 32 H GLU 32 4.843 7.137 7.137
208 HA GLU 32 HA GLU 32 3.313 7.794 7.794
209 1HB GLU 32 2HB GLU 32 5.816 7.929 7.929
210 2HB GLU 32 1HB GLU 32 5.629 9.507 9.507
211 1HG GLU 32 2HG GLU 32 5.845 10.123 10.123
212 2HG GLU 32 1HG GLU 32 4.091 10.006 10.006
213 H THR 33 H THR 33 4.016 10.032 10.032
214 HA THR 33 HA THR 33 2.687 12.274 12.274
215 HB THR 33 HB THR 33 2.975 11.481 11.481
216 HG1 THR 33 1HG THR 33 4.590 12.978 12.978
217 H ASN 34 H ASN 34 1.444 9.911 9.911
218 HA ASN 34 HA ASN 34 -1.212 10.874 10.874
219 1HB ASN 34 2HB ASN 34 0.052 8.264 8.264
220 2HB ASN 34 1HB ASN 34 -1.704 8.439 8.439
221 1HD2 ASN 34 1HD2 ASN 34 -2.169 10.950 10.950
222 2HD2 ASN 34 2HD2 ASN 34 -1.487 11.148 11.148
223 H CYS 35 H CYS 35 0.449 8.439 8.439
224 HA CYS 35 HA CYS 35 -1.812 7.394 7.394
225 1HB CYS 35 2HB CYS 35 0.499 6.368 6.368
226 2HB CYS 35 1HB CYS 35 0.994 7.575 7.575
227 H MET 36 H MET 36 0.402 10.051 10.051
228 HA MET 36 HA MET 36 -0.497 10.647 10.647
229 1HB MET 36 2HB MET 36 0.912 12.174 12.174
230 2HB MET 36 1HB MET 36 0.236 13.076 13.076
231 1HG MET 36 2HG MET 36 1.416 11.406 11.406
232 2HG MET 36 1HG MET 36 2.276 10.845 10.845
233 1HE MET 36 1HE MET 36 3.815 11.363 11.363
234 2HE MET 36 3HE MET 36 4.937 11.756 11.756
235 3HE MET 36 2HE MET 36 4.781 12.834 12.834
236 H LYS 37 H LYS 37 -1.541 11.934 11.934
237 HA LYS 37 HA LYS 37 -3.459 13.753 13.753
238 1HB LYS 37 2HB LYS 37 -2.902 12.413 12.413
239 2HB LYS 37 1HB LYS 37 -4.544 13.018 13.018
240 1HG LYS 37 2HG LYS 37 -3.339 14.838 14.838
241 2HG LYS 37 1HG LYS 37 -3.462 15.213 15.213
242 1HD LYS 37 2HD LYS 37 -1.162 13.795 13.795
243 2HD LYS 37 1HD LYS 37 -1.077 14.466 14.466
244 1HE LYS 37 2HE LYS 37 -1.458 16.735 16.735
245 2HE LYS 37 1HE LYS 37 -1.466 16.046 16.046
246 1HZ LYS 37 1HZ LYS 37 0.797 15.746 15.746
247 2HZ LYS 37 3HZ LYS 37 0.707 16.981 16.981
248 3HZ LYS 37 2HZ LYS 37 0.772 15.357 15.357
249 H LEU 38 H LEU 38 -3.574 10.286 10.286
250 HA LEU 38 HA LEU 38 -6.419 10.029 10.029
251 1HB LEU 38 2HB LEU 38 -4.399 8.325 8.325
252 2HB LEU 38 1HB LEU 38 -4.785 7.749 7.749
253 HG LEU 38 HG LEU 38 -7.196 7.644 7.644
254 1HD1 LEU 38 3HD1 LEU 38 -6.001 8.640 8.640
255 2HD1 LEU 38 2HD1 LEU 38 -7.416 7.588 7.588
256 3HD1 LEU 38 1HD1 LEU 38 -7.497 9.126 9.126
257 1HD2 LEU 38 1HD2 LEU 38 -5.028 6.043 6.043
258 2HD2 LEU 38 3HD2 LEU 38 -6.291 5.527 5.527
259 3HD2 LEU 38 2HD2 LEU 38 -6.674 5.793 5.793
260 H GLY 39 H GLY 39 -3.783 9.453 9.453
261 1HA GLY 39 2HA GLY 39 -4.184 10.469 10.469
262 2HA GLY 39 1HA GLY 39 -5.774 9.715 9.715
263 H GLY 40 H GLY 40 -2.305 9.056 9.056
264 1HA GLY 40 2HA GLY 40 -2.317 7.103 7.103
265 2HA GLY 40 1HA GLY 40 -2.607 6.227 6.227
266 H HIS 41 H HIS 41 -0.730 5.211 5.211
267 HA HIS 41 HA HIS 41 1.495 6.582 6.582
268 1HB HIS 41 2HB HIS 41 3.166 6.065 6.065
269 2HB HIS 41 1HB HIS 41 1.987 7.284 7.284
270 HD1 HIS 41 1HD HIS 41 2.697 3.577 3.577
271 HD2 HIS 41 2HD HIS 41 0.448 6.591 6.591
272 HE1 HIS 41 1HE HIS 41 1.737 2.584 2.584
273 H LEU 42 H LEU 42 3.549 4.922 4.922
274 HA LEU 42 HA LEU 42 2.798 2.631 2.631
275 1HB LEU 42 2HB LEU 42 5.342 3.058 3.058
276 2HB LEU 42 1HB LEU 42 5.106 1.876 1.876
277 HG LEU 42 HG LEU 42 4.712 4.842 4.842
278 1HD1 LEU 42 1HD1 LEU 42 7.205 3.251 3.251
279 2HD1 LEU 42 3HD1 LEU 42 7.074 4.275 4.275
280 3HD1 LEU 42 2HD1 LEU 42 6.957 4.985 4.985
281 1HD2 LEU 42 2HD2 LEU 42 3.779 2.994 2.994
282 2HD2 LEU 42 1HD2 LEU 42 4.727 4.288 4.288
283 3HD2 LEU 42 3HD2 LEU 42 5.465 2.713 2.713
284 H ALA 43 H ALA 43 1.782 0.880 0.880
285 HA ALA 43 HA ALA 43 1.087 0.313 0.313
286 1HB ALA 43 1HB ALA 43 0.199 -0.667 -0.667
287 2HB ALA 43 3HB ALA 43 1.412 -1.916 -1.916
288 3HB ALA 43 2HB ALA 43 0.131 -1.647 -1.647
289 H SER 44 H SER 44 1.596 -1.824 -1.824
290 HA SER 44 HA SER 44 4.438 -2.556 -2.556
291 1HB SER 44 2HB SER 44 3.123 -1.965 -1.965
292 2HB SER 44 1HB SER 44 4.826 -2.282 -2.282
293 HG SER 44 HG SER 44 4.807 -0.342 -0.342
294 H ILE 45 H ILE 45 4.653 -4.315 -4.315
295 HA ILE 45 HA ILE 45 2.367 -6.162 -6.162
296 HB ILE 45 HB ILE 45 3.999 -8.053 -8.053
297 1HD1 ILE 45 1HD1 ILE 45 6.270 -8.547 -8.547
298 2HD1 ILE 45 3HD1 ILE 45 7.563 -7.864 -7.864
299 3HD1 ILE 45 2HD1 ILE 45 6.238 -8.738 -8.738
300 H HIS 46 H HIS 46 2.136 -7.668 -7.668
301 HA HIS 46 HA HIS 46 3.894 -7.498 -7.498
302 1HB HIS 46 2HB HIS 46 1.997 -5.745 -5.745
303 2HB HIS 46 1HB HIS 46 0.933 -7.133 -7.133
304 HD1 HIS 46 1HD HIS 46 1.403 -8.652 -8.652
305 HD2 HIS 46 2HD HIS 46 3.633 -5.133 -5.133
306 HE1 HIS 46 1HE HIS 46 2.385 -8.336 -8.336
307 H SER 47 H SER 47 0.867 -8.784 -8.784
308 HA SER 47 HA SER 47 0.917 -11.171 -11.171
309 1HB SER 47 2HB SER 47 -1.089 -9.982 -9.982
310 2HB SER 47 1HB SER 47 -0.602 -10.990 -10.990
311 HG SER 47 HG SER 47 -1.277 -12.703 -12.703
312 H GLN 48 H GLN 48 2.734 -10.227 -10.227
313 HA GLN 48 HA GLN 48 4.281 -11.361 -11.361
314 1HB GLN 48 2HB GLN 48 3.381 -13.945 -13.945
315 2HB GLN 48 1HB GLN 48 4.918 -13.609 -13.609
316 1HG GLN 48 2HG GLN 48 5.621 -12.156 -12.156
317 2HG GLN 48 1HG GLN 48 4.003 -12.098 -12.098
318 H GLU 49 H GLU 49 1.415 -13.505 -13.505
319 HA GLU 49 HA GLU 49 1.439 -14.453 -14.453
320 1HB GLU 49 2HB GLU 49 -0.102 -15.068 -15.068
321 2HB GLU 49 1HB GLU 49 -1.189 -13.896 -13.896
322 1HG GLU 49 2HG GLU 49 -1.843 -15.864 -15.864
323 2HG GLU 49 1HG GLU 49 -0.652 -15.231 -15.231
324 H GLU 50 H GLU 50 0.394 -11.399 -11.399
325 HA GLU 50 HA GLU 50 -1.124 -10.511 -10.511
326 1HB GLU 50 2HB GLU 50 0.292 -9.088 -9.088
327 2HB GLU 50 1HB GLU 50 -0.465 -8.190 -8.190
328 1HG GLU 50 2HG GLU 50 -2.027 -10.332 -10.332
329 2HG GLU 50 1HG GLU 50 -1.860 -8.743 -8.743
330 H HIS 51 H HIS 51 2.304 -10.580 -10.580
331 HA HIS 51 HA HIS 51 3.237 -8.849 -8.849
332 1HB HIS 51 2HB HIS 51 4.593 -9.861 -9.861
333 2HB HIS 51 1HB HIS 51 4.695 -11.321 -11.321
334 HD1 HIS 51 1HD HIS 51 5.037 -7.633 -7.633
335 HD2 HIS 51 2HD HIS 51 7.160 -11.209 -11.209
336 HE1 HIS 51 1HE HIS 51 7.145 -7.113 -7.113
337 H SER 52 H SER 52 2.507 -12.313 -12.313
338 HA SER 52 HA SER 52 3.335 -13.067 -13.067
339 1HB SER 52 2HB SER 52 2.250 -14.427 -14.427
340 2HB SER 52 1HB SER 52 0.798 -14.216 -14.216
341 HG SER 52 HG SER 52 2.922 -15.844 -15.844
342 H PHE 53 H PHE 53 0.483 -11.349 -11.349
343 HA PHE 53 HA PHE 53 -1.238 -11.601 -11.601
344 1HB PHE 53 2HB PHE 53 -1.483 -10.299 -10.299
345 2HB PHE 53 1HB PHE 53 -0.913 -8.929 -8.929
346 HD1 PHE 53 1HD PHE 53 -3.339 -11.745 -11.745
347 HD2 PHE 53 2HD PHE 53 -2.413 -7.659 -7.659
348 HE1 PHE 53 1HE PHE 53 -5.606 -11.420 -11.420
349 HE2 PHE 53 2HE PHE 53 -4.660 -7.328 -7.328
350 HZ PHE 53 HZ PHE 53 -6.296 -9.206 -9.206
351 H ILE 54 H ILE 54 1.048 -8.892 -8.892
352 HA ILE 54 HA ILE 54 0.702 -7.764 -7.764
353 HB ILE 54 HB ILE 54 2.903 -6.641 -6.641
354 1HD1 ILE 54 2HD1 ILE 54 3.966 -5.763 -5.763
355 2HD1 ILE 54 1HD1 ILE 54 4.729 -6.954 -6.954
356 3HD1 ILE 54 3HD1 ILE 54 5.221 -6.827 -6.827
357 H GLN 55 H GLN 55 2.814 -10.327 -10.327
358 HA GLN 55 HA GLN 55 4.457 -10.425 -10.425
359 1HB GLN 55 2HB GLN 55 4.160 -11.978 -11.978
360 2HB GLN 55 1HB GLN 55 4.610 -12.956 -12.956
361 1HG GLN 55 2HG GLN 55 6.643 -12.160 -12.160
362 2HG GLN 55 1HG GLN 55 6.447 -11.309 -11.309
363 H THR 56 H THR 56 1.396 -11.826 -11.826
364 HA THR 56 HA THR 56 1.314 -13.839 -13.839
365 HB THR 56 HB THR 56 -1.011 -12.562 -12.562
366 HG1 THR 56 1HG THR 56 -0.656 -14.040 -14.040
367 H LEU 57 H LEU 57 0.440 -10.454 -10.454
368 HA LEU 57 HA LEU 57 -1.186 -10.423 -10.423
369 1HB LEU 57 2HB LEU 57 0.196 -8.264 -8.264
370 2HB LEU 57 1HB LEU 57 -0.703 -7.912 -7.912
371 HG LEU 57 HG LEU 57 -1.972 -9.554 -9.554
372 1HD1 LEU 57 2HD1 LEU 57 -1.028 -7.353 -7.353
373 2HD1 LEU 57 1HD1 LEU 57 -2.170 -6.540 -6.540
374 3HD1 LEU 57 3HD1 LEU 57 -2.763 -7.603 -7.603
375 1HD2 LEU 57 3HD2 LEU 57 -2.855 -7.872 -7.872
376 2HD2 LEU 57 2HD2 LEU 57 -3.289 -9.536 -9.536
377 3HD2 LEU 57 1HD2 LEU 57 -3.972 -8.204 -8.204
378 H ASN 58 H ASN 58 2.175 -9.450 -9.450
379 HA ASN 58 HA ASN 58 3.998 -9.210 -9.210
380 1HB ASN 58 2HB ASN 58 2.449 -10.975 -10.975
381 2HB ASN 58 1HB ASN 58 4.191 -10.697 -10.697
382 1HD2 ASN 58 1HD2 ASN 58 1.535 -12.261 -12.261
383 2HD2 ASN 58 2HD2 ASN 58 2.530 -13.249 -13.249
384 H ALA 59 H ALA 59 4.261 -7.224 -7.224
385 HA ALA 59 HA ALA 59 3.331 -6.518 -6.518
386 1HB ALA 59 2HB ALA 59 1.766 -5.644 -5.644
387 2HB ALA 59 1HB ALA 59 2.242 -4.332 -4.332
388 3HB ALA 59 3HB ALA 59 1.316 -5.696 -5.696
389 H GLY 60 H GLY 60 5.810 -6.705 -6.705
390 1HA GLY 60 2HA GLY 60 7.707 -5.272 -5.272
391 2HA GLY 60 1HA GLY 60 6.718 -3.889 -3.889
392 H VAL 61 H VAL 61 8.283 -3.165 -3.165
393 HA VAL 61 HA VAL 61 8.727 -4.995 -4.995
394 HB VAL 61 HB VAL 61 10.029 -2.293 -2.293
395 H VAL 62 H VAL 62 8.677 -3.827 -3.827
396 HA VAL 62 HA VAL 62 6.401 -1.940 -1.940
397 HB VAL 62 HB VAL 62 6.942 -4.092 -4.092
398 H TRP 63 H TRP 63 6.974 -0.075 -0.075
399 HA TRP 63 HA TRP 63 9.437 0.231 0.231
400 1HB TRP 63 2HB TRP 63 7.247 2.193 2.193
401 2HB TRP 63 1HB TRP 63 8.724 2.632 2.632
402 HD1 TRP 63 HD TRP 63 7.342 2.107 2.107
403 HE1 TRP 63 1HE TRP 63 9.215 2.344 2.344
404 HE3 TRP 63 3HE TRP 63 11.453 2.015 2.015
405 HZ2 TRP 63 2HZ TRP 63 12.059 2.474 2.474
406 HZ3 TRP 63 3HZ TRP 63 13.726 2.207 2.207
407 HH2 TRP 63 HH TRP 63 14.036 2.436 2.436
408 H ILE 64 H ILE 64 9.121 -0.960 -0.960
409 HA ILE 64 HA ILE 64 7.510 0.429 0.429
410 HB ILE 64 HB ILE 64 7.186 -2.513 -2.513
411 1HD1 ILE 64 1HD1 ILE 64 4.934 -3.106 -3.106
412 2HD1 ILE 64 3HD1 ILE 64 4.237 -2.470 -2.470
413 3HD1 ILE 64 2HD1 ILE 64 3.655 -1.895 -1.895
414 H GLY 65 H GLY 65 8.933 0.912 0.912
415 1HA GLY 65 2HA GLY 65 10.224 -0.815 -0.815
416 2HA GLY 65 1HA GLY 65 11.384 -0.549 -0.549
417 H GLY 66 H GLY 66 10.681 2.149 2.149
418 1HA GLY 66 2HA GLY 66 10.422 4.194 4.194
419 2HA GLY 66 1HA GLY 66 11.734 3.480 3.480
420 H SER 67 H SER 67 13.416 4.802 4.802
421 HA SER 67 HA SER 67 14.764 4.856 4.856
422 1HB SER 67 2HB SER 67 12.810 6.631 6.631
423 2HB SER 67 1HB SER 67 13.920 7.606 7.606
424 HG SER 67 HG SER 67 14.623 8.028 8.028
425 H ALA 68 H ALA 68 16.849 5.761 5.761
426 HA ALA 68 HA ALA 68 17.694 7.100 7.100
427 1HB ALA 68 2HB ALA 68 17.627 4.496 4.496
428 2HB ALA 68 1HB ALA 68 19.125 4.524 4.524
429 3HB ALA 68 3HB ALA 68 18.999 5.447 5.447
430 H CYS 69 H CYS 69 18.866 8.665 8.665
431 HA CYS 69 HA CYS 69 21.236 8.027 8.027
432 1HB CYS 69 2HB CYS 69 18.943 8.362 8.362
433 2HB CYS 69 1HB CYS 69 19.641 9.978 9.978
434 H LEU 70 H LEU 70 20.431 9.407 9.407
435 HA LEU 70 HA LEU 70 22.022 11.809 11.809
436 1HB LEU 70 2HB LEU 70 19.369 12.190 12.190
437 2HB LEU 70 1HB LEU 70 19.486 12.331 12.331
438 HG LEU 70 HG LEU 70 21.561 13.771 13.771
439 1HD1 LEU 70 3HD1 LEU 70 19.521 14.207 14.207
440 2HD1 LEU 70 2HD1 LEU 70 18.682 14.720 14.720
441 3HD1 LEU 70 1HD1 LEU 70 20.046 15.657 15.657
442 1HD2 LEU 70 2HD2 LEU 70 20.006 14.055 14.055
443 2HD2 LEU 70 1HD2 LEU 70 21.738 14.236 14.236
444 3HD2 LEU 70 3HD2 LEU 70 20.629 15.525 15.525
445 H GLN 71 H GLN 71 22.229 9.271 9.271
446 HA GLN 71 HA GLN 71 22.941 10.397 10.397
447 1HB GLN 71 2HB GLN 71 20.926 8.148 8.148
448 2HB GLN 71 1HB GLN 71 21.715 8.639 8.639
449 1HG GLN 71 2HG GLN 71 20.812 10.978 10.978
450 2HG GLN 71 1HG GLN 71 19.835 10.276 10.276
451 H ALA 72 H ALA 72 23.680 8.349 8.349
452 HA ALA 72 HA ALA 72 25.490 6.787 6.787
453 1HB ALA 72 1HB ALA 72 25.897 7.664 7.664
454 2HB ALA 72 3HB ALA 72 27.023 6.685 6.685
455 3HB ALA 72 2HB ALA 72 26.696 8.352 8.352
456 H GLY 73 H GLY 73 23.971 5.096 5.096
457 1HA GLY 73 2HA GLY 73 23.193 2.980 2.980
458 2HA GLY 73 1HA GLY 73 24.143 3.051 3.051
459 H ALA 74 H ALA 74 21.187 4.416 4.416
460 HA ALA 74 HA ALA 74 19.731 3.832 3.832
461 1HB ALA 74 3HB ALA 74 20.698 6.226 6.226
462 2HB ALA 74 2HB ALA 74 19.519 6.597 6.597
463 3HB ALA 74 1HB ALA 74 18.976 6.026 6.026
464 H TRP 75 H TRP 75 18.444 2.390 2.390
465 HA TRP 75 HA TRP 75 16.880 3.426 3.426
466 1HB TRP 75 2HB TRP 75 17.830 0.694 0.694
467 2HB TRP 75 1HB TRP 75 16.334 0.849 0.849
468 HD1 TRP 75 HD TRP 75 20.053 1.011 1.011
469 HE1 TRP 75 1HE TRP 75 20.691 1.593 1.593
470 HE3 TRP 75 3HE TRP 75 15.474 2.342 2.342
471 HZ2 TRP 75 2HZ TRP 75 19.427 2.506 2.506
472 HZ3 TRP 75 3HZ TRP 75 15.219 3.065 3.065
473 HH2 TRP 75 HH TRP 75 17.187 3.148 3.148
474 H THR 76 H THR 76 14.768 3.747 3.747
475 HA THR 76 HA THR 76 13.296 2.345 2.345
476 HB THR 76 HB THR 76 12.157 4.563 4.563
477 HG1 THR 76 1HG THR 76 12.822 6.208 6.208
478 H TRP 77 H TRP 77 10.860 3.251 3.251
479 HA TRP 77 HA TRP 77 9.909 2.317 2.317
480 1HB TRP 77 2HB TRP 77 8.724 3.433 3.433
481 2HB TRP 77 1HB TRP 77 7.777 3.702 3.702
482 HD1 TRP 77 HD TRP 77 7.852 1.366 1.366
483 HE1 TRP 77 1HE TRP 77 7.113 -0.997 -0.997
484 HE3 TRP 77 3HE TRP 77 8.264 1.804 1.804
485 HZ2 TRP 77 2HZ TRP 77 6.739 -2.503 -2.503
486 HZ3 TRP 77 3HZ TRP 77 7.709 -0.108 -0.108
487 HH2 TRP 77 HH TRP 77 6.947 -2.259 -2.259
488 H SER 78 H SER 78 7.991 3.965 3.965
489 HA SER 78 HA SER 78 9.300 5.743 5.743
490 1HB SER 78 2HB SER 78 6.440 6.046 6.046
491 2HB SER 78 1HB SER 78 7.138 6.603 6.603
492 HG SER 78 HG SER 78 6.101 4.217 4.217
493 H ASP 79 H ASP 79 7.796 6.352 6.352
494 HA ASP 79 HA ASP 79 9.418 8.732 8.732
495 1HB ASP 79 2HB ASP 79 7.372 9.489 9.489
496 2HB ASP 79 1HB ASP 79 6.417 9.064 9.064
497 H GLY 80 H GLY 80 9.149 6.188 6.188
498 1HA GLY 80 2HA GLY 80 8.536 7.212 7.212
499 2HA GLY 80 1HA GLY 80 7.712 5.752 5.752
500 H THR 81 H THR 81 8.569 4.055 4.055
501 HA THR 81 HA THR 81 11.485 3.945 3.945
502 HB THR 81 HB THR 81 10.205 1.804 1.804
503 HG1 THR 81 1HG THR 81 8.385 2.559 2.559
504 HA PRO 82 HA PRO 82 11.849 0.446 0.446
505 1HB PRO 82 2HB PRO 82 13.377 -1.354 -1.354
506 2HB PRO 82 1HB PRO 82 14.004 0.158 0.158
507 1HG PRO 82 2HG PRO 82 13.438 -0.549 -0.549
508 2HG PRO 82 1HG PRO 82 14.590 0.621 0.621
509 1HD PRO 82 2HD PRO 82 12.063 1.208 1.208
510 2HD PRO 82 1HD PRO 82 13.099 2.333 2.333
511 H MET 83 H MET 83 11.643 -2.064 -2.064
512 HA MET 83 HA MET 83 9.369 -2.953 -2.953
513 1HB MET 83 2HB MET 83 9.318 -2.505 -2.505
514 2HB MET 83 1HB MET 83 9.819 -4.196 -4.196
515 1HG MET 83 2HG MET 83 7.852 -4.333 -4.333
516 2HG MET 83 1HG MET 83 7.251 -2.964 -2.964
517 1HE MET 83 1HE MET 83 6.818 -6.028 -6.028
518 2HE MET 83 3HE MET 83 6.008 -6.846 -6.846
519 3HE MET 83 2HE MET 83 7.728 -7.090 -7.090
520 H ASN 84 H ASN 84 9.468 -5.605 -5.605
521 HA ASN 84 HA ASN 84 12.088 -6.700 -6.700
522 1HB ASN 84 2HB ASN 84 10.763 -8.348 -8.348
523 2HB ASN 84 1HB ASN 84 11.458 -6.844 -6.844
524 1HD2 ASN 84 1HD2 ASN 84 8.504 -7.115 -7.115
525 2HD2 ASN 84 2HD2 ASN 84 7.460 -6.498 -6.498
526 H PHE 85 H PHE 85 11.557 -9.336 -9.336
527 HA PHE 85 HA PHE 85 11.044 -11.204 -11.204
528 1HB PHE 85 2HB PHE 85 8.759 -10.854 -10.854
529 2HB PHE 85 1HB PHE 85 8.630 -9.493 -9.493
530 HD1 PHE 85 2HD PHE 85 9.650 -13.116 -13.116
531 HD2 PHE 85 1HD PHE 85 7.497 -9.880 -9.880
532 HE1 PHE 85 2HE PHE 85 8.895 -14.638 -14.638
533 HE2 PHE 85 1HE PHE 85 6.739 -11.396 -11.396
534 HZ PHE 85 HZ PHE 85 7.440 -13.779 -13.779
535 H ARG 86 H ARG 86 12.451 -11.579 -11.579
536 HA ARG 86 HA ARG 86 12.064 -11.159 -11.159
537 1HB ARG 86 2HB ARG 86 13.868 -9.523 -9.523
538 2HB ARG 86 1HB ARG 86 12.502 -8.820 -8.820
539 1HG ARG 86 2HG ARG 86 13.986 -9.541 -9.541
540 2HG ARG 86 1HG ARG 86 15.280 -9.296 -9.296
541 1HD ARG 86 2HD ARG 86 13.097 -7.261 -7.261
542 2HD ARG 86 1HD ARG 86 14.629 -7.243 -7.243
543 HE ARG 86 HE ARG 86 15.284 -7.336 -7.336
544 1HH1 ARG 86 1HH2 ARG 86 12.632 -5.547 -5.547
545 2HH1 ARG 86 2HH2 ARG 86 13.337 -3.984 -3.984
546 1HH2 ARG 86 1HH1 ARG 86 16.589 -5.180 -5.180
547 2HH2 ARG 86 2HH1 ARG 86 15.578 -3.776 -3.776
548 H SER 87 H SER 87 12.690 -13.323 -13.323
549 HA SER 87 HA SER 87 15.583 -13.777 -13.777
550 1HB SER 87 2HB SER 87 13.276 -15.700 -15.700
551 2HB SER 87 1HB SER 87 14.976 -16.150 -16.150
552 HG SER 87 HG SER 87 13.387 -14.874 -14.874
553 H TRP 88 H TRP 88 14.298 -12.865 -12.865
554 HA TRP 88 HA TRP 88 13.967 -15.005 -15.005
555 1HB TRP 88 2HB TRP 88 14.814 -12.171 -12.171
556 2HB TRP 88 1HB TRP 88 14.030 -13.320 -13.320
557 HD1 TRP 88 HD TRP 88 13.340 -10.933 -10.933
558 HE1 TRP 88 1HE TRP 88 10.795 -10.717 -10.717
559 HE3 TRP 88 3HE TRP 88 11.725 -14.627 -14.627
560 HZ2 TRP 88 2HZ TRP 88 8.388 -11.951 -11.951
561 HZ3 TRP 88 3HZ TRP 88 9.304 -15.085 -15.085
562 HH2 TRP 88 HH TRP 88 7.634 -13.753 -13.753
563 H CYS 89 H CYS 89 16.650 -12.692 -12.692
564 HA CYS 89 HA CYS 89 18.590 -14.794 -14.794
565 1HB CYS 89 2HB CYS 89 19.688 -13.453 -13.453
566 2HB CYS 89 1HB CYS 89 18.103 -14.073 -14.073
567 H SER 90 H SER 90 20.870 -13.488 -13.488
568 HA SER 90 HA SER 90 21.450 -12.523 -12.523
569 1HB SER 90 2HB SER 90 23.016 -13.326 -13.326
570 2HB SER 90 1HB SER 90 23.090 -11.603 -11.603
571 HG SER 90 HG SER 90 23.874 -12.999 -12.999
572 H THR 91 H THR 91 22.536 -10.312 -10.312
573 HA THR 91 HA THR 91 20.558 -8.304 -8.304
574 HB THR 91 HB THR 91 22.559 -6.783 -6.783
575 HG1 THR 91 1HG THR 91 24.394 -7.784 -7.784
576 H LYS 92 H LYS 92 20.639 -6.309 -6.309
577 HA LYS 92 HA LYS 92 21.236 -6.559 -6.559
578 1HB LYS 92 2HB LYS 92 20.798 -4.107 -4.107
579 2HB LYS 92 1HB LYS 92 19.539 -4.994 -4.994
580 1HG LYS 92 2HG LYS 92 21.254 -4.418 -4.418
581 2HG LYS 92 1HG LYS 92 21.482 -3.006 -3.006
582 1HD LYS 92 2HD LYS 92 19.378 -2.221 -2.221
583 2HD LYS 92 1HD LYS 92 18.665 -3.833 -3.833
584 1HE LYS 92 2HE LYS 92 18.520 -2.810 -2.810
585 2HE LYS 92 1HE LYS 92 19.514 -4.267 -4.267
586 1HZ LYS 92 3HZ LYS 92 20.567 -1.499 -1.499
587 2HZ LYS 92 2HZ LYS 92 20.533 -2.414 -2.414
588 3HZ LYS 92 1HZ LYS 92 21.486 -2.920 -2.920
589 HA PRO 93 HA PRO 93 25.527 -5.420 -5.420
590 1HB PRO 93 2HB PRO 93 25.850 -4.896 -4.896
591 2HB PRO 93 1HB PRO 93 25.686 -6.528 -6.528
592 1HG PRO 93 2HG PRO 93 23.744 -4.936 -4.936
593 2HG PRO 93 1HG PRO 93 23.867 -6.691 -6.691
594 1HD PRO 93 2HD PRO 93 22.042 -4.943 -4.943
595 2HD PRO 93 1HD PRO 93 22.288 -6.677 -6.677
596 H ASP 94 H ASP 94 26.783 -3.618 -3.618
597 HA ASP 94 HA ASP 94 27.365 -1.401 -1.401
598 1HB ASP 94 2HB ASP 94 25.854 -1.478 -1.478
599 2HB ASP 94 1HB ASP 94 26.374 0.070 0.070
600 H ASP 95 H ASP 95 26.368 0.896 0.896
601 HA ASP 95 HA ASP 95 23.606 1.247 1.247
602 1HB ASP 95 2HB ASP 95 24.276 -0.183 -0.183
603 2HB ASP 95 1HB ASP 95 25.268 1.177 1.177
604 H VAL 96 H VAL 96 25.687 2.552 2.552
605 HA VAL 96 HA VAL 96 26.182 5.013 5.013
606 HB VAL 96 HB VAL 96 27.741 5.563 5.563
607 H LEU 97 H LEU 97 26.357 6.909 6.909
608 HA LEU 97 HA LEU 97 23.723 7.717 7.717
609 1HB LEU 97 2HB LEU 97 26.338 8.553 8.553
610 2HB LEU 97 1HB LEU 97 24.809 9.285 9.285
611 HG LEU 97 HG LEU 97 25.410 9.074 9.074
612 1HD1 LEU 97 2HD1 LEU 97 27.431 10.033 10.033
613 2HD1 LEU 97 1HD1 LEU 97 26.385 11.422 11.422
614 3HD1 LEU 97 3HD1 LEU 97 26.807 10.971 10.971
615 1HD2 LEU 97 2HD2 LEU 97 23.270 9.984 9.984
616 2HD2 LEU 97 1HD2 LEU 97 23.856 10.793 10.793
617 3HD2 LEU 97 3HD2 LEU 97 24.251 11.444 11.444
618 H ALA 98 H ALA 98 25.676 5.508 5.508
619 HA ALA 98 HA ALA 98 24.732 5.716 5.716
620 1HB ALA 98 1HB ALA 98 25.374 3.237 3.237
621 2HB ALA 98 3HB ALA 98 25.069 3.225 3.225
622 3HB ALA 98 2HB ALA 98 26.446 4.116 4.116
623 H ALA 99 H ALA 99 23.012 4.649 4.649
624 HA ALA 99 HA ALA 99 20.602 4.270 4.270
625 1HB ALA 99 2HB ALA 99 21.502 2.023 2.023
626 2HB ALA 99 1HB ALA 99 21.413 2.450 2.450
627 3HB ALA 99 3HB ALA 99 19.936 2.332 2.332
628 H CYS 100 H CYS 100 18.943 5.417 5.417
629 HA CYS 100 HA CYS 100 19.086 6.405 6.405
630 1HB CYS 100 2HB CYS 100 17.820 7.790 7.790
631 2HB CYS 100 1HB CYS 100 17.956 8.429 8.429
632 H CYS 101 H CYS 101 16.990 5.215 5.215
633 HA CYS 101 HA CYS 101 14.749 5.082 5.082
634 1HB CYS 101 2HB CYS 101 14.791 4.812 4.812
635 2HB CYS 101 1HB CYS 101 13.346 4.620 4.620
636 H MET 102 H MET 102 14.713 3.220 3.220
637 HA MET 102 HA MET 102 15.957 0.812 0.812
638 1HB MET 102 2HB MET 102 14.265 -0.276 -0.276
639 2HB MET 102 1HB MET 102 15.117 1.087 1.087
640 1HG MET 102 2HG MET 102 12.937 1.635 1.635
641 2HG MET 102 1HG MET 102 13.050 2.454 2.454
642 1HE MET 102 1HE MET 102 11.598 2.385 2.385
643 2HE MET 102 3HE MET 102 10.193 1.330 1.330
644 3HE MET 102 2HE MET 102 10.303 2.399 2.399
645 H GLN 103 H GLN 103 14.904 -1.268 -1.268
646 HA GLN 103 HA GLN 103 12.408 -1.154 -1.154
647 1HB GLN 103 2HB GLN 103 13.895 0.000 0.000
648 2HB GLN 103 1HB GLN 103 14.939 -1.419 -1.419
649 1HG GLN 103 2HG GLN 103 12.319 -2.376 -2.376
650 2HG GLN 103 1HG GLN 103 12.491 -0.923 -0.923
651 H MET 104 H MET 104 11.592 -3.134 -3.134
652 HA MET 104 HA MET 104 13.307 -5.463 -5.463
653 1HB MET 104 2HB MET 104 10.470 -4.868 -4.868
654 2HB MET 104 1HB MET 104 11.094 -6.515 -6.515
655 1HG MET 104 2HG MET 104 13.002 -5.736 -5.736
656 2HG MET 104 1HG MET 104 12.156 -4.200 -4.200
657 1HE MET 104 1HE MET 104 12.110 -4.128 -4.128
658 2HE MET 104 3HE MET 104 11.043 -4.984 -4.984
659 3HE MET 104 2HE MET 104 12.609 -5.669 -5.669
660 H THR 105 H THR 105 13.736 -5.801 -5.801
661 HA THR 105 HA THR 105 12.071 -5.782 -5.782
662 HB THR 105 HB THR 105 13.520 -7.968 -7.968
663 HG1 THR 105 1HG THR 105 14.284 -8.006 -8.006
664 H ALA 106 H ALA 106 11.134 -7.656 -7.656
665 HA ALA 106 HA ALA 106 9.872 -9.604 -9.604
666 1HB ALA 106 3HB ALA 106 8.588 -7.601 -7.601
667 2HB ALA 106 2HB ALA 106 7.833 -9.192 -9.192
668 3HB ALA 106 1HB ALA 106 8.065 -8.216 -8.216
669 H ALA 107 H ALA 107 11.965 -10.573 -10.573
670 HA ALA 107 HA ALA 107 10.913 -11.762 -11.762
671 1HB ALA 107 3HB ALA 107 13.249 -10.719 -10.719
672 2HB ALA 107 2HB ALA 107 13.682 -12.121 -12.121
673 3HB ALA 107 1HB ALA 107 13.145 -12.341 -12.341
674 H ALA 108 H ALA 108 11.336 -12.465 -12.465
675 HA ALA 108 HA ALA 108 10.596 -14.359 -14.359
676 1HB ALA 108 1HB ALA 108 9.768 -15.307 -15.307
677 2HB ALA 108 3HB ALA 108 11.283 -16.208 -16.208
678 3HB ALA 108 2HB ALA 108 10.090 -16.411 -16.411
679 H ASP 109 H ASP 109 13.400 -14.177 -14.177
680 HA ASP 109 HA ASP 109 15.003 -15.412 -15.412
681 1HB ASP 109 2HB ASP 109 15.434 -15.443 -15.443
682 2HB ASP 109 1HB ASP 109 16.655 -15.932 -15.932
683 H GLN 110 H GLN 110 14.108 -12.535 -12.535
684 HA GLN 110 HA GLN 110 16.589 -11.264 -11.264
685 1HB GLN 110 2HB GLN 110 14.011 -10.529 -10.529
686 2HB GLN 110 1HB GLN 110 14.378 -9.513 -9.513
687 1HG GLN 110 2HG GLN 110 15.806 -8.227 -8.227
688 2HG GLN 110 1HG GLN 110 16.590 -9.626 -9.626
689 H CYS 111 H CYS 111 14.220 -11.577 -11.577
690 HA CYS 111 HA CYS 111 14.346 -11.272 -11.272
691 1HB CYS 111 2HB CYS 111 16.707 -12.405 -12.405
692 2HB CYS 111 1HB CYS 111 17.295 -10.814 -10.814
693 H TRP 112 H TRP 112 14.986 -9.597 -9.597
694 HA TRP 112 HA TRP 112 14.379 -7.012 -7.012
695 1HB TRP 112 2HB TRP 112 15.748 -7.677 -7.677
696 2HB TRP 112 1HB TRP 112 14.824 -6.226 -6.226
697 HD1 TRP 112 HD TRP 112 13.920 -7.853 -7.853
698 HE1 TRP 112 1HE TRP 112 11.658 -9.073 -9.073
699 HE3 TRP 112 3HE TRP 112 12.989 -8.293 -8.293
700 HZ2 TRP 112 2HZ TRP 112 9.721 -10.100 -10.100
701 HZ3 TRP 112 3HZ TRP 112 10.929 -9.400 -9.400
702 HH2 TRP 112 HH TRP 112 9.292 -10.303 -10.303
703 H ASP 113 H ASP 113 15.622 -5.160 -5.160
704 HA ASP 113 HA ASP 113 18.431 -5.046 -5.046
705 1HB ASP 113 2HB ASP 113 17.488 -6.042 -6.042
706 2HB ASP 113 1HB ASP 113 18.706 -4.768 -4.768
707 H ASP 114 H ASP 114 18.696 -2.967 -2.967
708 HA ASP 114 HA ASP 114 16.914 -0.896 -0.896
709 1HB ASP 114 2HB ASP 114 19.927 -0.723 -0.723
710 2HB ASP 114 1HB ASP 114 18.819 0.639 0.639
711 H LEU 115 H LEU 115 17.204 1.069 1.069
712 HA LEU 115 HA LEU 115 18.488 0.565 0.565
713 1HB LEU 115 2HB LEU 115 15.638 0.475 0.475
714 2HB LEU 115 1HB LEU 115 16.016 1.841 1.841
715 HG LEU 115 HG LEU 115 17.365 0.296 0.296
716 1HD1 LEU 115 1HD1 LEU 115 16.559 -1.578 -1.578
717 2HD1 LEU 115 3HD1 LEU 115 16.480 -2.212 -2.212
718 3HD1 LEU 115 2HD1 LEU 115 18.002 -1.580 -1.580
719 1HD2 LEU 115 3HD2 LEU 115 14.427 -0.179 -0.179
720 2HD2 LEU 115 2HD2 LEU 115 15.191 0.725 0.725
721 3HD2 LEU 115 1HD2 LEU 115 15.279 -1.035 -1.035
722 HA PRO 116 HA PRO 116 19.344 4.886 4.886
723 1HB PRO 116 2HB PRO 116 19.414 5.640 5.640
724 2HB PRO 116 1HB PRO 116 20.660 4.651 4.651
725 1HG PRO 116 2HG PRO 116 18.582 3.859 3.859
726 2HG PRO 116 1HG PRO 116 20.135 3.094 3.094
727 1HD PRO 116 2HD PRO 116 17.558 2.261 2.261
728 2HD PRO 116 1HD PRO 116 19.134 1.601 1.601
729 H CYS 117 H CYS 117 16.315 3.909 3.909
730 HA CYS 117 HA CYS 117 14.331 5.018 5.018
731 1HB CYS 117 2HB CYS 117 15.871 7.191 7.191
732 2HB CYS 117 1HB CYS 117 15.052 7.706 7.706
733 HA PRO 118 HA PRO 118 13.597 6.182 6.182
734 1HB PRO 118 2HB PRO 118 15.658 6.011 6.011
735 2HB PRO 118 1HB PRO 118 15.235 7.488 7.488
736 1HG PRO 118 2HG PRO 118 17.521 5.658 5.658
737 2HG PRO 118 1HG PRO 118 17.363 7.372 7.372
738 1HD PRO 118 2HD PRO 118 17.148 5.172 5.172
739 2HD PRO 118 1HD PRO 118 16.773 6.873 6.873
740 H ALA 119 H ALA 119 12.425 4.323 4.323
741 HA ALA 119 HA ALA 119 13.211 2.293 2.293
742 1HB ALA 119 3HB ALA 119 14.504 1.722 1.722
743 2HB ALA 119 2HB ALA 119 12.921 1.204 1.204
744 3HB ALA 119 1HB ALA 119 13.631 0.445 0.445
745 H SER 120 H SER 120 11.192 3.421 3.421
746 HA SER 120 HA SER 120 8.827 3.455 3.455
747 1HB SER 120 2HB SER 120 9.516 4.068 4.068
748 2HB SER 120 1HB SER 120 8.641 2.575 2.575
749 HG SER 120 HG SER 120 7.711 4.839 4.839
750 H HIS 121 H HIS 121 8.380 1.833 1.833
751 HA HIS 121 HA HIS 121 7.679 -0.754 -0.754
752 1HB HIS 121 2HB HIS 121 8.805 0.028 0.028
753 2HB HIS 121 1HB HIS 121 8.040 -1.533 -1.533
754 HD1 HIS 121 1HD HIS 121 9.045 -2.264 -2.264
755 HD2 HIS 121 2HD HIS 121 11.517 -0.544 -0.544
756 HE1 HIS 121 1HE HIS 121 11.424 -2.815 -2.815
757 H LYS 122 H LYS 122 5.745 -1.761 -1.761
758 HA LYS 122 HA LYS 122 3.497 -0.187 -0.187
759 1HB LYS 122 2HB LYS 122 2.428 -2.067 -2.067
760 2HB LYS 122 1HB LYS 122 3.138 -2.516 -2.516
761 1HG LYS 122 2HG LYS 122 5.068 -3.450 -3.450
762 2HG LYS 122 1HG LYS 122 4.686 -2.694 -2.694
763 1HD LYS 122 2HD LYS 122 2.494 -4.378 -4.378
764 2HD LYS 122 1HD LYS 122 3.994 -5.289 -5.289
765 1HE LYS 122 2HE LYS 122 3.986 -3.755 -3.755
766 2HE LYS 122 1HE LYS 122 2.283 -4.158 -4.158
767 1HZ LYS 122 3HZ LYS 122 3.011 -6.504 -6.504
768 2HZ LYS 122 2HZ LYS 122 4.573 -6.035 -6.035
769 3HZ LYS 122 1HZ LYS 122 3.276 -5.896 -5.896
770 H SER 123 H SER 123 1.976 0.190 0.190
771 HA SER 123 HA SER 123 3.508 1.157 1.157
772 1HB SER 123 2HB SER 123 1.371 2.654 2.654
773 2HB SER 123 1HB SER 123 2.615 3.089 3.089
774 HG SER 123 HG SER 123 1.380 2.083 2.083
775 H VAL 124 H VAL 124 2.877 0.646 0.646
776 HA VAL 124 HA VAL 124 0.427 -0.969 -0.969
777 HB VAL 124 HB VAL 124 3.135 -1.479 -1.479
778 H CYS 125 H CYS 125 -0.825 0.525 0.525
779 HA CYS 125 HA CYS 125 0.275 1.855 1.855
780 1HB CYS 125 2HB CYS 125 -1.449 2.849 2.849
781 2HB CYS 125 1HB CYS 125 -1.825 3.423 3.423
782 H ALA 126 H ALA 126 -0.987 1.991 1.991
783 HA ALA 126 HA ALA 126 -3.538 0.511 0.511
784 1HB ALA 126 2HB ALA 126 -1.112 0.030 0.030
785 2HB ALA 126 1HB ALA 126 -2.701 -0.166 -0.166
786 3HB ALA 126 3HB ALA 126 -2.260 -1.131 -1.131
787 H MET 127 H MET 127 -4.601 0.917 0.917
788 HA MET 127 HA MET 127 -3.937 3.323 3.323
789 1HB MET 127 2HB MET 127 -5.778 4.769 4.769
790 2HB MET 127 1HB MET 127 -4.643 4.418 4.418
791 1HG MET 127 2HG MET 127 -6.183 3.228 3.228
792 2HG MET 127 1HG MET 127 -6.859 2.485 2.485
793 1HE MET 127 1HE MET 127 -7.948 3.645 3.645
794 2HE MET 127 3HE MET 127 -7.770 5.403 5.403
795 3HE MET 127 2HE MET 127 -9.345 4.680 4.680
796 H THR 128 H THR 128 -5.811 4.104 4.104
797 HA THR 128 HA THR 128 -7.808 2.037 2.037
798 HB THR 128 HB THR 128 -6.344 3.019 3.019
799 HG1 THR 128 1HG THR 128 -4.536 2.099 2.099
800 H PHE 129 H PHE 129 -9.058 2.864 2.864
801 HA PHE 129 HA PHE 129 -9.346 5.789 5.789
802 1HB PHE 129 2HB PHE 129 -11.831 5.539 5.539
803 2HB PHE 129 1HB PHE 129 -10.999 5.043 5.043
804 HD1 PHE 129 1HD PHE 129 -12.551 3.771 3.771
805 HD2 PHE 129 2HD PHE 129 -11.133 2.808 2.808
806 HE1 PHE 129 1HE PHE 129 -13.558 1.513 1.513
807 HE2 PHE 129 2HE PHE 129 -12.141 0.549 0.549
808 HZ PHE 129 HZ PHE 129 -13.353 -0.098 -0.098
Start of MODEL 2
1 1H GLN 1 1HT GLN 1 -19.522 19.632 19.632
2 2H GLN 1 3HT GLN 1 -19.596 20.265 20.265
3 3H GLN 1 2HT GLN 1 -20.832 19.243 19.243
4 HA GLN 1 HA GLN 1 -19.639 17.778 17.778
5 1HB GLN 1 2HB GLN 1 -17.140 17.831 17.831
6 2HB GLN 1 1HB GLN 1 -17.873 19.329 19.329
7 1HG GLN 1 2HG GLN 1 -17.629 20.099 20.099
8 2HG GLN 1 1HG GLN 1 -16.446 18.796 18.796
9 H ARG 2 H ARG 2 -19.281 15.730 15.730
10 HA ARG 2 HA ARG 2 -18.232 15.320 15.320
11 1HB ARG 2 2HB ARG 2 -20.771 14.028 14.028
12 2HB ARG 2 1HB ARG 2 -20.028 13.774 13.774
13 1HG ARG 2 2HG ARG 2 -20.231 16.382 16.382
14 2HG ARG 2 1HG ARG 2 -21.448 16.205 16.205
15 1HD ARG 2 2HD ARG 2 -22.898 15.043 15.043
16 2HD ARG 2 1HD ARG 2 -21.601 14.340 14.340
17 HE ARG 2 HE ARG 2 -21.594 16.276 16.276
18 1HH1 ARG 2 1HH2 ARG 2 -24.610 15.990 15.990
19 2HH1 ARG 2 2HH2 ARG 2 -25.043 17.627 17.627
20 1HH2 ARG 2 1HH1 ARG 2 -21.774 18.656 18.656
21 2HH2 ARG 2 2HH1 ARG 2 -23.437 19.137 19.137
22 H ALA 3 H ALA 3 -17.554 13.114 13.114
23 HA ALA 3 HA ALA 3 -17.358 11.289 11.289
24 1HB ALA 3 2HB ALA 3 -14.859 12.528 12.528
25 2HB ALA 3 1HB ALA 3 -14.895 11.192 11.192
26 3HB ALA 3 3HB ALA 3 -15.465 12.788 12.788
27 H GLY 4 H GLY 4 -18.422 9.830 9.830
28 1HA GLY 4 2HA GLY 4 -17.471 9.199 9.199
29 2HA GLY 4 1HA GLY 4 -18.712 8.331 8.331
30 HA PRO 5 HA PRO 5 -14.586 6.031 6.031
31 1HB PRO 5 2HB PRO 5 -14.807 4.319 4.319
32 2HB PRO 5 1HB PRO 5 -14.042 5.912 5.912
33 1HG PRO 5 2HG PRO 5 -16.658 5.017 5.017
34 2HG PRO 5 1HG PRO 5 -15.618 6.342 6.342
35 1HD PRO 5 2HD PRO 5 -17.962 6.562 6.562
36 2HD PRO 5 1HD PRO 5 -16.802 7.857 7.857
37 H ASN 6 H ASN 6 -14.465 3.360 3.360
38 HA ASN 6 HA ASN 6 -15.140 1.318 1.318
39 1HB ASN 6 2HB ASN 6 -17.096 1.731 1.731
40 2HB ASN 6 1HB ASN 6 -17.959 2.404 2.404
41 1HD2 ASN 6 1HD2 ASN 6 -19.491 0.757 0.757
42 2HD2 ASN 6 2HD2 ASN 6 -19.074 -0.852 -0.852
43 H CYS 7 H CYS 7 -14.887 0.656 0.656
44 HA CYS 7 HA CYS 7 -15.246 2.371 2.371
45 1HB CYS 7 2HB CYS 7 -14.937 -0.642 -0.642
46 2HB CYS 7 1HB CYS 7 -14.662 0.431 0.431
47 HA PRO 8 HA PRO 8 -19.519 1.500 1.500
48 1HB PRO 8 2HB PRO 8 -19.655 2.511 2.511
49 2HB PRO 8 1HB PRO 8 -19.567 3.516 3.516
50 1HG PRO 8 2HG PRO 8 -17.495 2.984 2.984
51 2HG PRO 8 1HG PRO 8 -17.667 4.359 4.359
52 1HD PRO 8 2HD PRO 8 -15.895 2.142 2.142
53 2HD PRO 8 1HD PRO 8 -16.206 3.429 3.429
54 H ALA 9 H ALA 9 -17.512 0.911 0.911
55 HA ALA 9 HA ALA 9 -18.086 -1.876 -1.876
56 1HB ALA 9 2HB ALA 9 -20.291 -0.689 -0.689
57 2HB ALA 9 1HB ALA 9 -19.410 -0.364 -0.364
58 3HB ALA 9 3HB ALA 9 -19.672 -2.027 -2.027
59 H GLY 10 H GLY 10 -17.317 1.039 1.039
60 1HA GLY 10 2HA GLY 10 -15.695 -0.344 -0.344
61 2HA GLY 10 1HA GLY 10 -15.797 1.401 1.401
62 H TRP 11 H TRP 11 -14.521 -1.500 -1.500
63 HA TRP 11 HA TRP 11 -11.995 -0.088 -0.088
64 1HB TRP 11 2HB TRP 11 -13.931 -0.752 -0.752
65 2HB TRP 11 1HB TRP 11 -12.360 -1.485 -1.485
66 HD1 TRP 11 HD TRP 11 -14.080 1.895 1.895
67 HE1 TRP 11 1HE TRP 11 -12.528 3.740 3.740
68 HE3 TRP 11 3HE TRP 11 -9.848 -0.843 -0.843
69 HZ2 TRP 11 2HZ TRP 11 -9.850 4.021 4.021
70 HZ3 TRP 11 3HZ TRP 11 -7.817 0.240 0.240
71 HH2 TRP 11 HH TRP 11 -7.808 2.666 2.666
72 H GLN 12 H GLN 12 -10.683 -1.934 -1.934
73 HA GLN 12 HA GLN 12 -10.951 -4.486 -4.486
74 1HB GLN 12 2HB GLN 12 -8.660 -2.624 -2.624
75 2HB GLN 12 1HB GLN 12 -8.252 -4.313 -4.313
76 1HG GLN 12 2HG GLN 12 -9.698 -4.883 -4.883
77 2HG GLN 12 1HG GLN 12 -9.745 -3.154 -3.154
78 HA PRO 13 HA PRO 13 -10.293 -4.853 -4.853
79 1HB PRO 13 2HB PRO 13 -12.666 -6.057 -6.057
80 2HB PRO 13 1HB PRO 13 -12.428 -4.304 -4.304
81 1HG PRO 13 2HG PRO 13 -13.842 -6.043 -6.043
82 2HG PRO 13 1HG PRO 13 -14.108 -4.338 -4.338
83 1HD PRO 13 2HD PRO 13 -12.742 -5.335 -5.335
84 2HD PRO 13 1HD PRO 13 -12.743 -3.649 -3.649
85 H LEU 14 H LEU 14 -9.153 -6.548 -6.548
86 HA LEU 14 HA LEU 14 -8.883 -8.955 -8.955
87 1HB LEU 14 2HB LEU 14 -7.421 -7.768 -7.768
88 2HB LEU 14 1HB LEU 14 -8.234 -9.004 -9.004
89 HG LEU 14 HG LEU 14 -7.121 -9.893 -9.893
90 1HD1 LEU 14 2HD1 LEU 14 -5.399 -8.317 -8.317
91 2HD1 LEU 14 1HD1 LEU 14 -5.294 -9.475 -9.475
92 3HD1 LEU 14 3HD1 LEU 14 -4.851 -9.966 -9.966
93 1HD2 LEU 14 2HD2 LEU 14 -8.268 -11.395 -11.395
94 2HD2 LEU 14 1HD2 LEU 14 -6.601 -11.885 -11.885
95 3HD2 LEU 14 3HD2 LEU 14 -7.012 -11.030 -11.030
96 H GLY 15 H GLY 15 -10.159 -8.608 -8.608
97 1HA GLY 15 2HA GLY 15 -12.353 -10.439 -10.439
98 2HA GLY 15 1HA GLY 15 -11.200 -10.980 -10.980
99 H ASP 16 H ASP 16 -10.663 -8.701 -8.701
100 HA ASP 16 HA ASP 16 -13.282 -7.685 -7.685
101 1HB ASP 16 2HB ASP 16 -12.524 -7.972 -7.972
102 2HB ASP 16 1HB ASP 16 -12.778 -9.499 -9.499
103 H ARG 17 H ARG 17 -11.176 -6.484 -6.484
104 HA ARG 17 HA ARG 17 -10.760 -4.085 -4.085
105 1HB ARG 17 2HB ARG 17 -8.410 -5.422 -5.422
106 2HB ARG 17 1HB ARG 17 -8.374 -3.964 -3.964
107 1HG ARG 17 2HG ARG 17 -9.261 -5.380 -5.380
108 2HG ARG 17 1HG ARG 17 -8.948 -6.793 -6.793
109 1HD ARG 17 2HD ARG 17 -6.666 -6.569 -6.569
110 2HD ARG 17 1HD ARG 17 -6.740 -4.815 -4.815
111 HE ARG 17 HE ARG 17 -7.335 -6.679 -6.679
112 1HH1 ARG 17 1HH2 ARG 17 -4.700 -5.045 -5.045
113 2HH1 ARG 17 2HH2 ARG 17 -4.914 -3.786 -3.786
114 1HH2 ARG 17 1HH1 ARG 17 -8.287 -4.437 -4.437
115 2HH2 ARG 17 2HH1 ARG 17 -6.945 -3.441 -3.441
116 H CYS 18 H CYS 18 -9.072 -2.746 -2.746
117 HA CYS 18 HA CYS 18 -10.359 -2.896 -2.896
118 1HB CYS 18 2HB CYS 18 -10.434 -0.618 -0.618
119 2HB CYS 18 1HB CYS 18 -10.149 -0.226 -0.226
120 H ILE 19 H ILE 19 -8.803 -3.037 -3.037
121 HA ILE 19 HA ILE 19 -6.328 -1.498 -1.498
122 HB ILE 19 HB ILE 19 -5.855 -3.740 -3.740
123 1HD1 ILE 19 1HD1 ILE 19 -3.722 -4.754 -4.754
124 2HD1 ILE 19 3HD1 ILE 19 -4.006 -5.510 -5.510
125 3HD1 ILE 19 2HD1 ILE 19 -2.644 -4.412 -4.412
126 H TYR 20 H TYR 20 -5.039 -1.363 -1.363
127 HA TYR 20 HA TYR 20 -6.574 -1.770 -1.770
128 1HB TYR 20 2HB TYR 20 -5.483 0.787 0.787
129 2HB TYR 20 1HB TYR 20 -5.382 0.529 0.529
130 HD1 TYR 20 2HD TYR 20 -7.986 -1.010 -1.010
131 HD2 TYR 20 1HD TYR 20 -7.078 2.474 2.474
132 HE1 TYR 20 2HE TYR 20 -10.317 -0.222 -0.222
133 HE2 TYR 20 1HE TYR 20 -9.410 3.257 3.257
134 HH TYR 20 HH TYR 20 -11.440 2.252 2.252
135 H TYR 21 H TYR 21 -5.088 -1.257 -1.257
136 HA TYR 21 HA TYR 21 -2.264 -1.491 -1.491
137 1HB TYR 21 2HB TYR 21 -3.460 -3.921 -3.921
138 2HB TYR 21 1HB TYR 21 -3.216 -3.876 -3.876
139 HD1 TYR 21 2HD TYR 21 -0.925 -3.667 -3.667
140 HD2 TYR 21 1HD TYR 21 -1.591 -3.982 -3.982
141 HE1 TYR 21 2HE TYR 21 1.473 -4.172 -4.172
142 HE2 TYR 21 1HE TYR 21 0.812 -4.491 -4.491
143 HH TYR 21 HH TYR 21 2.848 -5.425 -5.425
144 H GLU 22 H GLU 22 -1.130 -1.501 -1.501
145 HA GLU 22 HA GLU 22 -2.810 -0.950 -0.950
146 1HB GLU 22 2HB GLU 22 -0.732 0.885 0.885
147 2HB GLU 22 1HB GLU 22 -1.177 0.965 0.965
148 1HG GLU 22 2HG GLU 22 -3.276 1.786 1.786
149 2HG GLU 22 1HG GLU 22 -3.413 0.907 0.907
150 H THR 23 H THR 23 -1.216 -0.549 -0.549
151 HA THR 23 HA THR 23 1.095 -2.362 -2.362
152 HB THR 23 HB THR 23 0.294 -3.211 -3.211
153 HG1 THR 23 1HG THR 23 -1.624 -2.578 -2.578
154 H THR 24 H THR 24 0.727 0.559 0.559
155 HA THR 24 HA THR 24 2.058 0.984 0.984
156 HB THR 24 HB THR 24 0.784 3.223 3.223
157 HG1 THR 24 1HG THR 24 -0.825 1.648 1.648
158 H ALA 25 H ALA 25 4.072 1.870 1.870
159 HA ALA 25 HA ALA 25 5.531 1.857 1.857
160 1HB ALA 25 3HB ALA 25 6.261 1.937 1.937
161 2HB ALA 25 2HB ALA 25 6.562 3.615 3.615
162 3HB ALA 25 1HB ALA 25 7.349 2.305 2.305
163 H MET 26 H MET 26 4.804 3.054 3.054
164 HA MET 26 HA MET 26 5.175 5.947 5.947
165 1HB MET 26 2HB MET 26 3.135 6.266 6.266
166 2HB MET 26 1HB MET 26 2.826 5.951 5.951
167 1HG MET 26 2HG MET 26 1.966 3.850 3.850
168 2HG MET 26 1HG MET 26 2.987 3.585 3.585
169 1HE MET 26 2HE MET 26 0.482 6.038 6.038
170 2HE MET 26 1HE MET 26 -0.542 4.614 4.614
171 3HE MET 26 3HE MET 26 -0.861 6.053 6.053
172 H THR 27 H THR 27 6.836 6.064 6.064
173 HA THR 27 HA THR 27 7.239 4.399 4.399
174 HB THR 27 HB THR 27 8.711 6.259 6.259
175 HG1 THR 27 1HG THR 27 9.611 4.496 4.496
176 H TRP 28 H TRP 28 7.934 5.452 5.452
177 HA TRP 28 HA TRP 28 6.148 6.156 6.156
178 1HB TRP 28 2HB TRP 28 8.906 6.481 6.481
179 2HB TRP 28 1HB TRP 28 8.340 8.057 8.057
180 HD1 TRP 28 HD TRP 28 8.988 4.562 4.562
181 HE1 TRP 28 1HE TRP 28 8.540 4.247 4.247
182 HE3 TRP 28 3HE TRP 28 6.701 8.992 8.992
183 HZ2 TRP 28 2HZ TRP 28 7.355 5.710 5.710
184 HZ3 TRP 28 3HZ TRP 28 5.923 9.517 9.517
185 HH2 TRP 28 HH TRP 28 6.246 7.884 7.884
186 H ALA 29 H ALA 29 7.752 8.721 8.721
187 HA ALA 29 HA ALA 29 6.337 10.918 10.918
188 1HB ALA 29 3HB ALA 29 8.347 10.911 10.911
189 2HB ALA 29 2HB ALA 29 7.225 10.585 10.585
190 3HB ALA 29 1HB ALA 29 7.089 12.082 12.082
191 H LEU 30 H LEU 30 5.553 8.831 8.831
192 HA LEU 30 HA LEU 30 3.053 10.267 10.267
193 1HB LEU 30 2HB LEU 30 4.300 7.847 7.847
194 2HB LEU 30 1HB LEU 30 2.691 8.438 8.438
195 HG LEU 30 HG LEU 30 4.952 10.398 10.398
196 1HD1 LEU 30 1HD1 LEU 30 4.638 8.116 8.116
197 2HD1 LEU 30 3HD1 LEU 30 5.013 9.690 9.690
198 3HD1 LEU 30 2HD1 LEU 30 6.097 8.977 8.977
199 1HD2 LEU 30 1HD2 LEU 30 2.323 10.650 10.650
200 2HD2 LEU 30 3HD2 LEU 30 3.539 11.649 11.649
201 3HD2 LEU 30 2HD2 LEU 30 2.885 10.233 10.233
202 H ALA 31 H ALA 31 4.136 7.246 7.246
203 HA ALA 31 HA ALA 31 1.584 6.031 6.031
204 1HB ALA 31 2HB ALA 31 4.151 5.597 5.597
205 2HB ALA 31 1HB ALA 31 2.728 4.563 4.563
206 3HB ALA 31 3HB ALA 31 3.607 4.696 4.696
207 H GLU 32 H GLU 32 3.657 7.151 7.151
208 HA GLU 32 HA GLU 32 1.729 7.222 7.222
209 1HB GLU 32 2HB GLU 32 4.315 7.636 7.636
210 2HB GLU 32 1HB GLU 32 3.846 9.334 9.334
211 1HG GLU 32 2HG GLU 32 2.303 7.684 7.684
212 2HG GLU 32 1HG GLU 32 3.991 7.973 7.973
213 H THR 33 H THR 33 2.693 9.944 9.944
214 HA THR 33 HA THR 33 1.023 11.880 11.880
215 HB THR 33 HB THR 33 1.827 11.664 11.664
216 HG1 THR 33 1HG THR 33 3.582 12.892 12.892
217 H ASN 34 H ASN 34 0.392 9.823 9.823
218 HA ASN 34 HA ASN 34 -2.279 10.665 10.665
219 1HB ASN 34 2HB ASN 34 -0.795 8.162 8.162
220 2HB ASN 34 1HB ASN 34 -2.499 8.398 8.398
221 1HD2 ASN 34 1HD2 ASN 34 0.043 8.404 8.404
222 2HD2 ASN 34 2HD2 ASN 34 -0.077 9.853 9.853
223 H CYS 35 H CYS 35 -0.823 8.157 8.157
224 HA CYS 35 HA CYS 35 -3.203 6.814 6.814
225 1HB CYS 35 2HB CYS 35 -0.667 6.183 6.183
226 2HB CYS 35 1HB CYS 35 -0.892 7.027 7.027
227 H MET 36 H MET 36 -1.558 9.663 9.663
228 HA MET 36 HA MET 36 -2.872 9.927 9.927
229 1HB MET 36 2HB MET 36 -0.893 11.293 11.293
230 2HB MET 36 1HB MET 36 -2.147 12.306 12.306
231 1HG MET 36 2HG MET 36 -1.609 13.288 13.288
232 2HG MET 36 1HG MET 36 -3.171 12.492 12.492
233 1HE MET 36 1HE MET 36 -3.004 12.800 12.800
234 2HE MET 36 3HE MET 36 -3.359 11.108 11.108
235 3HE MET 36 2HE MET 36 -2.042 11.939 11.939
236 H LYS 37 H LYS 37 -3.826 10.853 10.853
237 HA LYS 37 HA LYS 37 -6.055 12.453 12.453
238 1HB LYS 37 2HB LYS 37 -5.307 10.855 10.855
239 2HB LYS 37 1HB LYS 37 -6.872 11.663 11.663
240 1HG LYS 37 2HG LYS 37 -4.282 13.121 13.121
241 2HG LYS 37 1HG LYS 37 -4.962 13.003 13.003
242 1HD LYS 37 2HD LYS 37 -6.731 14.385 14.385
243 2HD LYS 37 1HD LYS 37 -6.812 13.859 13.859
244 1HE LYS 37 2HE LYS 37 -5.274 15.406 15.406
245 2HE LYS 37 1HE LYS 37 -4.359 15.332 15.332
246 1HZ LYS 37 1HZ LYS 37 -7.050 16.552 16.552
247 2HZ LYS 37 3HZ LYS 37 -5.629 17.444 17.444
248 3HZ LYS 37 2HZ LYS 37 -5.913 16.700 16.700
249 H LEU 38 H LEU 38 -5.610 8.986 8.986
250 HA LEU 38 HA LEU 38 -8.408 8.334 8.334
251 1HB LEU 38 2HB LEU 38 -5.903 6.705 6.705
252 2HB LEU 38 1HB LEU 38 -7.524 6.021 6.021
253 HG LEU 38 HG LEU 38 -6.550 7.528 7.528
254 1HD1 LEU 38 2HD1 LEU 38 -5.317 5.312 5.312
255 2HD1 LEU 38 1HD1 LEU 38 -6.814 4.535 4.535
256 3HD1 LEU 38 3HD1 LEU 38 -5.893 5.513 5.513
257 1HD2 LEU 38 3HD2 LEU 38 -8.991 5.960 5.960
258 2HD2 LEU 38 2HD2 LEU 38 -8.878 7.483 7.483
259 3HD2 LEU 38 1HD2 LEU 38 -8.479 5.965 5.965
260 H GLY 39 H GLY 39 -5.753 8.308 8.308
261 1HA GLY 39 2HA GLY 39 -6.561 9.285 9.285
262 2HA GLY 39 1HA GLY 39 -7.745 7.983 7.983
263 H GLY 40 H GLY 40 -6.130 5.949 5.949
264 1HA GLY 40 2HA GLY 40 -4.829 5.024 5.024
265 2HA GLY 40 1HA GLY 40 -4.842 4.211 4.211
266 H HIS 41 H HIS 41 -2.686 3.677 3.677
267 HA HIS 41 HA HIS 41 -0.864 5.533 5.533
268 1HB HIS 41 2HB HIS 41 0.750 5.663 5.663
269 2HB HIS 41 1HB HIS 41 -0.753 6.534 6.534
270 HD1 HIS 41 1HD HIS 41 0.653 3.039 3.039
271 HD2 HIS 41 2HD HIS 41 -1.923 5.817 5.817
272 HE1 HIS 41 1HE HIS 41 -0.073 2.051 2.051
273 H LEU 42 H LEU 42 1.557 4.528 4.528
274 HA LEU 42 HA LEU 42 1.592 2.041 2.041
275 1HB LEU 42 2HB LEU 42 3.710 3.329 3.329
276 2HB LEU 42 1HB LEU 42 3.977 1.905 1.905
277 HG LEU 42 HG LEU 42 3.033 4.595 4.595
278 1HD1 LEU 42 1HD1 LEU 42 5.732 3.365 3.365
279 2HD1 LEU 42 3HD1 LEU 42 5.445 4.267 4.267
280 3HD1 LEU 42 2HD1 LEU 42 5.253 5.059 5.059
281 1HD2 LEU 42 3HD2 LEU 42 3.814 1.990 1.990
282 2HD2 LEU 42 2HD2 LEU 42 2.252 2.806 2.806
283 3HD2 LEU 42 1HD2 LEU 42 3.658 3.519 3.519
284 H ALA 43 H ALA 43 0.814 0.200 0.200
285 HA ALA 43 HA ALA 43 0.202 -0.383 -0.383
286 1HB ALA 43 3HB ALA 43 -0.443 -1.562 -1.562
287 2HB ALA 43 2HB ALA 43 0.854 -2.649 -2.649
288 3HB ALA 43 1HB ALA 43 -0.545 -2.407 -2.407
289 H SER 44 H SER 44 1.095 -2.241 -2.241
290 HA SER 44 HA SER 44 4.015 -2.526 -2.526
291 1HB SER 44 2HB SER 44 3.562 -0.776 -0.776
292 2HB SER 44 1HB SER 44 2.603 -1.943 -1.943
293 HG SER 44 HG SER 44 5.276 -1.610 -1.610
294 H ILE 45 H ILE 45 1.110 -3.620 -3.620
295 HA ILE 45 HA ILE 45 0.392 -5.722 -5.722
296 HB ILE 45 HB ILE 45 2.492 -6.891 -6.891
297 1HD1 ILE 45 3HD1 ILE 45 1.982 -7.366 -7.366
298 2HD1 ILE 45 2HD1 ILE 45 0.240 -7.610 -7.610
299 3HD1 ILE 45 1HD1 ILE 45 1.002 -6.256 -6.256
300 H HIS 46 H HIS 46 1.075 -7.695 -7.695
301 HA HIS 46 HA HIS 46 3.677 -7.301 -7.301
302 1HB HIS 46 2HB HIS 46 0.972 -8.023 -8.023
303 2HB HIS 46 1HB HIS 46 2.404 -8.665 -8.665
304 HD1 HIS 46 1HD HIS 46 1.591 -5.229 -5.229
305 HD2 HIS 46 2HD HIS 46 3.034 -6.936 -6.936
306 HE1 HIS 46 1HE HIS 46 2.121 -3.307 -3.307
307 H SER 47 H SER 47 1.351 -9.625 -9.625
308 HA SER 47 HA SER 47 2.893 -11.948 -11.948
309 1HB SER 47 2HB SER 47 0.482 -11.381 -11.381
310 2HB SER 47 1HB SER 47 1.364 -12.876 -12.876
311 HG SER 47 HG SER 47 -0.376 -12.827 -12.827
312 H GLN 48 H GLN 48 3.270 -13.464 -13.464
313 HA GLN 48 HA GLN 48 5.057 -11.902 -11.902
314 1HB GLN 48 2HB GLN 48 5.267 -14.749 -14.749
315 2HB GLN 48 1HB GLN 48 6.261 -14.108 -14.108
316 1HG GLN 48 2HG GLN 48 7.499 -12.783 -12.783
317 2HG GLN 48 1HG GLN 48 6.139 -12.476 -12.476
318 H GLU 49 H GLU 49 2.717 -14.550 -14.550
319 HA GLU 49 HA GLU 49 2.756 -15.218 -15.218
320 1HB GLU 49 2HB GLU 49 0.658 -15.490 -15.490
321 2HB GLU 49 1HB GLU 49 0.326 -15.962 -15.962
322 1HG GLU 49 2HG GLU 49 2.226 -17.507 -17.507
323 2HG GLU 49 1HG GLU 49 2.638 -17.000 -17.000
324 H GLU 50 H GLU 50 1.158 -12.688 -12.688
325 HA GLU 50 HA GLU 50 -0.581 -11.825 -11.825
326 1HB GLU 50 2HB GLU 50 0.508 -10.487 -10.487
327 2HB GLU 50 1HB GLU 50 -0.481 -9.605 -9.605
328 1HG GLU 50 2HG GLU 50 -2.014 -11.802 -11.802
329 2HG GLU 50 1HG GLU 50 -1.254 -11.784 -11.784
330 H HIS 51 H HIS 51 2.783 -11.244 -11.244
331 HA HIS 51 HA HIS 51 3.215 -9.038 -9.038
332 1HB HIS 51 2HB HIS 51 4.768 -10.187 -10.187
333 2HB HIS 51 1HB HIS 51 5.401 -11.019 -11.019
334 HD1 HIS 51 1HD HIS 51 4.979 -8.595 -8.595
335 HD2 HIS 51 2HD HIS 51 6.910 -8.370 -8.370
336 HE1 HIS 51 1HE HIS 51 6.507 -6.578 -6.578
337 H SER 52 H SER 52 3.480 -12.561 -12.561
338 HA SER 52 HA SER 52 4.431 -12.679 -12.679
339 1HB SER 52 2HB SER 52 4.008 -14.591 -14.591
340 2HB SER 52 1HB SER 52 2.400 -14.645 -14.645
341 HG SER 52 HG SER 52 3.633 -16.009 -16.009
342 H PHE 53 H PHE 53 1.207 -12.225 -12.225
343 HA PHE 53 HA PHE 53 -0.326 -12.584 -12.584
344 1HB PHE 53 2HB PHE 53 -1.131 -12.403 -12.403
345 2HB PHE 53 1HB PHE 53 -0.935 -10.659 -10.659
346 HD1 PHE 53 2HD PHE 53 -2.565 -13.593 -13.593
347 HD2 PHE 53 1HD PHE 53 -2.517 -9.359 -9.359
348 HE1 PHE 53 2HE PHE 53 -4.789 -13.449 -13.449
349 HE2 PHE 53 1HE PHE 53 -4.729 -9.188 -9.188
350 HZ PHE 53 HZ PHE 53 -5.899 -11.237 -11.237
351 H ILE 54 H ILE 54 1.178 -9.632 -9.632
352 HA ILE 54 HA ILE 54 0.002 -7.931 -7.931
353 HB ILE 54 HB ILE 54 1.515 -6.205 -6.205
354 1HD1 ILE 54 3HD1 ILE 54 2.754 -5.502 -5.502
355 2HD1 ILE 54 2HD1 ILE 54 4.024 -6.506 -6.506
356 3HD1 ILE 54 1HD1 ILE 54 4.156 -5.955 -5.955
357 H GLN 55 H GLN 55 2.629 -10.107 -10.107
358 HA GLN 55 HA GLN 55 3.602 -8.530 -8.530
359 1HB GLN 55 2HB GLN 55 5.591 -8.513 -8.513
360 2HB GLN 55 1HB GLN 55 5.068 -9.658 -9.658
361 1HG GLN 55 2HG GLN 55 5.976 -10.476 -10.476
362 2HG GLN 55 1HG GLN 55 7.068 -10.369 -10.369
363 H THR 56 H THR 56 2.786 -11.740 -11.740
364 HA THR 56 HA THR 56 3.391 -13.101 -13.101
365 HB THR 56 HB THR 56 1.566 -14.043 -14.043
366 HG1 THR 56 1HG THR 56 3.386 -14.828 -14.828
367 H LEU 57 H LEU 57 0.917 -10.947 -10.947
368 HA LEU 57 HA LEU 57 -0.942 -12.331 -12.331
369 1HB LEU 57 2HB LEU 57 -1.364 -10.526 -10.526
370 2HB LEU 57 1HB LEU 57 -2.554 -10.531 -10.531
371 HG LEU 57 HG LEU 57 -2.267 -13.188 -13.188
372 1HD1 LEU 57 1HD1 LEU 57 -0.586 -12.867 -12.867
373 2HD1 LEU 57 3HD1 LEU 57 -1.835 -12.075 -12.075
374 3HD1 LEU 57 2HD1 LEU 57 -2.004 -13.774 -13.774
375 1HD2 LEU 57 1HD2 LEU 57 -4.368 -11.850 -11.850
376 2HD2 LEU 57 3HD2 LEU 57 -4.299 -13.133 -13.133
377 3HD2 LEU 57 2HD2 LEU 57 -3.969 -11.464 -11.464
378 H ASN 58 H ASN 58 -0.681 -8.943 -8.943
379 HA ASN 58 HA ASN 58 -1.369 -7.970 -7.970
380 1HB ASN 58 2HB ASN 58 -0.161 -6.554 -6.554
381 2HB ASN 58 1HB ASN 58 -0.790 -5.749 -5.749
382 1HD2 ASN 58 1HD2 ASN 58 -1.706 -7.550 -7.550
383 2HD2 ASN 58 2HD2 ASN 58 -3.374 -7.262 -7.262
384 H ALA 59 H ALA 59 1.482 -6.422 -6.422
385 HA ALA 59 HA ALA 59 3.455 -7.662 -7.662
386 1HB ALA 59 2HB ALA 59 1.486 -6.336 -6.336
387 2HB ALA 59 1HB ALA 59 3.024 -5.496 -5.496
388 3HB ALA 59 3HB ALA 59 2.921 -7.225 -7.225
389 H GLY 60 H GLY 60 4.846 -5.682 -5.682
390 1HA GLY 60 2HA GLY 60 6.427 -4.076 -4.076
391 2HA GLY 60 1HA GLY 60 5.082 -3.199 -3.199
392 H VAL 61 H VAL 61 6.930 -2.400 -2.400
393 HA VAL 61 HA VAL 61 7.646 -4.333 -4.333
394 HB VAL 61 HB VAL 61 8.696 -1.522 -1.522
395 H VAL 62 H VAL 62 7.632 -3.356 -3.356
396 HA VAL 62 HA VAL 62 5.275 -1.604 -1.604
397 HB VAL 62 HB VAL 62 6.067 -3.896 -3.896
398 H TRP 63 H TRP 63 6.263 0.256 0.256
399 HA TRP 63 HA TRP 63 8.683 0.569 0.569
400 1HB TRP 63 2HB TRP 63 6.355 2.424 2.424
401 2HB TRP 63 1HB TRP 63 7.786 2.925 2.925
402 HD1 TRP 63 HD TRP 63 6.480 2.606 2.606
403 HE1 TRP 63 1HE TRP 63 8.359 2.983 2.983
404 HE3 TRP 63 3HE TRP 63 10.568 2.374 2.374
405 HZ2 TRP 63 2HZ TRP 63 11.209 3.159 3.159
406 HZ3 TRP 63 3HZ TRP 63 12.843 2.655 2.655
407 HH2 TRP 63 HH TRP 63 13.169 3.038 3.038
408 H ILE 64 H ILE 64 9.211 0.435 0.435
409 HA ILE 64 HA ILE 64 7.304 1.024 1.024
410 HB ILE 64 HB ILE 64 6.762 -1.330 -1.330
411 1HD1 ILE 64 1HD1 ILE 64 5.301 -1.781 -1.781
412 2HD1 ILE 64 3HD1 ILE 64 5.631 -1.126 -1.126
413 3HD1 ILE 64 2HD1 ILE 64 5.554 -0.048 -0.048
414 H GLY 65 H GLY 65 9.309 2.594 2.594
415 1HA GLY 65 2HA GLY 65 11.162 1.704 1.704
416 2HA GLY 65 1HA GLY 65 11.856 2.274 2.274
417 H GLY 66 H GLY 66 12.570 3.487 3.487
418 1HA GLY 66 2HA GLY 66 10.939 5.783 5.783
419 2HA GLY 66 1HA GLY 66 12.567 5.458 5.458
420 H SER 67 H SER 67 13.577 7.379 7.379
421 HA SER 67 HA SER 67 13.971 8.008 8.008
422 1HB SER 67 2HB SER 67 12.083 9.442 9.442
423 2HB SER 67 1HB SER 67 13.184 10.145 10.145
424 HG SER 67 HG SER 67 12.843 10.939 10.939
425 H ALA 68 H ALA 68 16.039 8.266 8.266
426 HA ALA 68 HA ALA 68 17.779 9.710 9.710
427 1HB ALA 68 2HB ALA 68 17.853 6.751 6.751
428 2HB ALA 68 1HB ALA 68 19.409 7.586 7.586
429 3HB ALA 68 3HB ALA 68 18.349 7.791 7.791
430 H CYS 69 H CYS 69 17.855 11.088 11.088
431 HA CYS 69 HA CYS 69 19.280 10.002 10.002
432 1HB CYS 69 2HB CYS 69 17.422 12.292 12.292
433 2HB CYS 69 1HB CYS 69 18.671 12.476 12.476
434 H LEU 70 H LEU 70 19.547 12.258 12.258
435 HA LEU 70 HA LEU 70 22.303 12.872 12.872
436 1HB LEU 70 2HB LEU 70 20.143 14.723 14.723
437 2HB LEU 70 1HB LEU 70 21.808 15.080 15.080
438 HG LEU 70 HG LEU 70 22.233 14.543 14.543
439 1HD1 LEU 70 2HD1 LEU 70 19.701 14.088 14.088
440 2HD1 LEU 70 1HD1 LEU 70 19.503 15.835 15.835
441 3HD1 LEU 70 3HD1 LEU 70 20.427 15.150 15.150
442 1HD2 LEU 70 2HD2 LEU 70 21.323 17.079 17.079
443 2HD2 LEU 70 1HD2 LEU 70 22.948 16.623 16.623
444 3HD2 LEU 70 3HD2 LEU 70 21.738 17.082 17.082
445 H GLN 71 H GLN 71 21.453 10.767 10.767
446 HA GLN 71 HA GLN 71 22.775 11.638 11.638
447 1HB GLN 71 2HB GLN 71 20.194 10.137 10.137
448 2HB GLN 71 1HB GLN 71 21.220 9.844 9.844
449 1HG GLN 71 2HG GLN 71 20.910 11.971 11.971
450 2HG GLN 71 1HG GLN 71 20.656 12.682 12.682
451 H ALA 72 H ALA 72 24.665 10.611 10.611
452 HA ALA 72 HA ALA 72 25.064 8.094 8.094
453 1HB ALA 72 3HB ALA 72 26.772 9.960 9.960
454 2HB ALA 72 2HB ALA 72 27.323 8.301 8.301
455 3HB ALA 72 1HB ALA 72 27.015 9.336 9.336
456 H GLY 73 H GLY 73 23.518 6.762 6.762
457 1HA GLY 73 2HA GLY 73 23.006 5.061 5.061
458 2HA GLY 73 1HA GLY 73 24.615 5.260 5.260
459 H ALA 74 H ALA 74 21.771 7.399 7.399
460 HA ALA 74 HA ALA 74 21.433 7.360 7.360
461 1HB ALA 74 2HB ALA 74 23.198 9.185 9.185
462 2HB ALA 74 1HB ALA 74 21.733 10.083 10.083
463 3HB ALA 74 3HB ALA 74 22.014 9.541 9.541
464 H TRP 75 H TRP 75 19.394 6.496 6.496
465 HA TRP 75 HA TRP 75 17.353 8.439 8.439
466 1HB TRP 75 2HB TRP 75 16.515 7.791 7.791
467 2HB TRP 75 1HB TRP 75 18.179 8.327 8.327
468 HD1 TRP 75 HD TRP 75 19.759 5.739 5.739
469 HE1 TRP 75 1HE TRP 75 19.715 3.705 3.705
470 HE3 TRP 75 3HE TRP 75 15.445 6.692 6.692
471 HZ2 TRP 75 2HZ TRP 75 18.070 2.635 2.635
472 HZ3 TRP 75 3HZ TRP 75 14.668 5.167 5.167
473 HH2 TRP 75 HH TRP 75 15.977 3.148 3.148
474 H THR 76 H THR 76 15.353 6.676 6.676
475 HA THR 76 HA THR 76 15.395 4.367 4.367
476 HB THR 76 HB THR 76 14.362 6.132 6.132
477 HG1 THR 76 1HG THR 76 12.759 4.882 4.882
478 H TRP 77 H TRP 77 13.223 3.150 3.150
479 HA TRP 77 HA TRP 77 13.023 2.276 2.276
480 1HB TRP 77 2HB TRP 77 12.066 1.451 1.451
481 2HB TRP 77 1HB TRP 77 10.742 1.391 1.391
482 HD1 TRP 77 HD TRP 77 12.736 -1.014 -1.014
483 HE1 TRP 77 1HE TRP 77 13.540 -2.823 -2.823
484 HE3 TRP 77 3HE TRP 77 11.983 1.429 1.429
485 HZ2 TRP 77 2HZ TRP 77 13.816 -3.185 -3.185
486 HZ3 TRP 77 3HZ TRP 77 12.522 0.332 0.332
487 HH2 TRP 77 HH TRP 77 13.437 -1.968 -1.968
488 H SER 78 H SER 78 10.341 1.868 1.868
489 HA SER 78 HA SER 78 9.521 4.256 4.256
490 1HB SER 78 2HB SER 78 8.466 1.579 1.579
491 2HB SER 78 1HB SER 78 7.178 2.772 2.772
492 HG SER 78 HG SER 78 7.369 3.082 3.082
493 H ASP 79 H ASP 79 8.389 2.747 2.747
494 HA ASP 79 HA ASP 79 7.770 5.368 5.368
495 1HB ASP 79 2HB ASP 79 5.424 4.711 4.711
496 2HB ASP 79 1HB ASP 79 5.689 4.938 4.938
497 H GLY 80 H GLY 80 9.585 3.173 3.173
498 1HA GLY 80 2HA GLY 80 10.439 2.506 2.506
499 2HA GLY 80 1HA GLY 80 8.865 2.825 2.825
500 H THR 81 H THR 81 9.292 0.941 0.941
501 HA THR 81 HA THR 81 7.871 -1.290 -1.290
502 HB THR 81 HB THR 81 9.144 -2.087 -2.087
503 HG1 THR 81 1HG THR 81 8.003 0.498 0.498
504 HA PRO 82 HA PRO 82 11.285 -3.805 -3.805
505 1HB PRO 82 2HB PRO 82 10.740 -6.288 -6.288
506 2HB PRO 82 1HB PRO 82 9.855 -5.557 -5.557
507 1HG PRO 82 2HG PRO 82 9.012 -5.946 -5.946
508 2HG PRO 82 1HG PRO 82 8.029 -5.841 -5.841
509 1HD PRO 82 2HD PRO 82 8.417 -3.780 -3.780
510 2HD PRO 82 1HD PRO 82 7.697 -3.598 -3.598
511 H MET 83 H MET 83 12.949 -5.584 -5.584
512 HA MET 83 HA MET 83 14.593 -4.424 -4.424
513 1HB MET 83 2HB MET 83 14.472 -7.096 -7.096
514 2HB MET 83 1HB MET 83 15.474 -6.941 -6.941
515 1HG MET 83 2HG MET 83 16.634 -5.008 -5.008
516 2HG MET 83 1HG MET 83 15.654 -5.202 -5.202
517 1HE MET 83 3HE MET 83 18.085 -6.715 -6.715
518 2HE MET 83 2HE MET 83 18.715 -8.173 -8.173
519 3HE MET 83 1HE MET 83 17.058 -8.145 -8.145
520 H ASN 84 H ASN 84 13.245 -7.668 -7.668
521 HA ASN 84 HA ASN 84 12.163 -6.836 -6.836
522 1HB ASN 84 2HB ASN 84 13.416 -8.958 -8.958
523 2HB ASN 84 1HB ASN 84 14.186 -7.376 -7.376
524 1HD2 ASN 84 1HD2 ASN 84 13.736 -9.468 -9.468
525 2HD2 ASN 84 2HD2 ASN 84 15.389 -9.710 -9.710
526 H PHE 85 H PHE 85 11.333 -8.938 -8.938
527 HA PHE 85 HA PHE 85 9.535 -10.212 -10.212
528 1HB PHE 85 2HB PHE 85 9.763 -10.296 -10.296
529 2HB PHE 85 1HB PHE 85 8.617 -11.289 -11.289
530 HD1 PHE 85 1HD PHE 85 9.785 -7.718 -7.718
531 HD2 PHE 85 2HD PHE 85 6.477 -10.427 -10.427
532 HE1 PHE 85 1HE PHE 85 8.227 -5.794 -5.794
533 HE2 PHE 85 2HE PHE 85 4.918 -8.502 -8.502
534 HZ PHE 85 HZ PHE 85 5.794 -6.186 -6.186
535 H ARG 86 H ARG 86 12.302 -11.023 -11.023
536 HA ARG 86 HA ARG 86 12.853 -13.384 -13.384
537 1HB ARG 86 2HB ARG 86 11.511 -13.633 -13.633
538 2HB ARG 86 1HB ARG 86 12.824 -14.755 -14.755
539 1HG ARG 86 2HG ARG 86 11.501 -14.917 -14.917
540 2HG ARG 86 1HG ARG 86 10.147 -14.496 -14.496
541 1HD ARG 86 2HD ARG 86 10.948 -16.359 -16.359
542 2HD ARG 86 1HD ARG 86 12.012 -16.862 -16.862
543 HE ARG 86 HE ARG 86 9.830 -17.018 -17.018
544 1HH1 ARG 86 1HH1 ARG 86 8.501 -16.319 -16.319
545 2HH1 ARG 86 2HH1 ARG 86 7.824 -17.869 -17.869
546 1HH2 ARG 86 1HH2 ARG 86 9.628 -19.542 -19.542
547 2HH2 ARG 86 2HH2 ARG 86 8.462 -19.694 -19.694
548 H SER 87 H SER 87 14.963 -14.016 -14.016
549 HA SER 87 HA SER 87 16.736 -12.191 -12.191
550 1HB SER 87 2HB SER 87 17.289 -14.855 -14.855
551 2HB SER 87 1HB SER 87 18.522 -13.718 -13.718
552 HG SER 87 HG SER 87 16.683 -13.533 -13.533
553 H TRP 88 H TRP 88 15.510 -12.658 -12.658
554 HA TRP 88 HA TRP 88 15.995 -15.069 -15.069
555 1HB TRP 88 2HB TRP 88 15.124 -12.305 -12.305
556 2HB TRP 88 1HB TRP 88 15.541 -13.482 -13.482
557 HD1 TRP 88 HD TRP 88 13.132 -13.007 -13.007
558 HE1 TRP 88 1HE TRP 88 11.070 -14.509 -14.509
559 HE3 TRP 88 3HE TRP 88 14.620 -15.503 -15.503
560 HZ2 TRP 88 2HZ TRP 88 10.172 -16.504 -16.504
561 HZ3 TRP 88 3HZ TRP 88 13.144 -17.195 -17.195
562 HH2 TRP 88 HH TRP 88 10.924 -17.699 -17.699
563 H CYS 89 H CYS 89 17.328 -11.833 -11.833
564 HA CYS 89 HA CYS 89 19.735 -13.148 -13.148
565 1HB CYS 89 2HB CYS 89 18.827 -10.287 -10.287
566 2HB CYS 89 1HB CYS 89 20.139 -11.104 -11.104
567 H SER 90 H SER 90 18.611 -10.797 -10.797
568 HA SER 90 HA SER 90 19.661 -9.781 -9.781
569 1HB SER 90 2HB SER 90 20.557 -12.275 -12.275
570 2HB SER 90 1HB SER 90 22.079 -11.513 -11.513
571 HG SER 90 HG SER 90 22.166 -10.580 -10.580
572 H THR 91 H THR 91 19.914 -7.880 -7.880
573 HA THR 91 HA THR 91 22.088 -7.343 -7.343
574 HB THR 91 HB THR 91 20.069 -5.943 -5.943
575 HG1 THR 91 1HG THR 91 21.141 -4.053 -4.053
576 H LYS 92 H LYS 92 23.455 -5.203 -5.203
577 HA LYS 92 HA LYS 92 24.463 -4.965 -4.965
578 1HB LYS 92 2HB LYS 92 25.265 -7.424 -7.424
579 2HB LYS 92 1HB LYS 92 26.661 -6.385 -6.385
580 1HG LYS 92 2HG LYS 92 26.067 -5.630 -5.630
581 2HG LYS 92 1HG LYS 92 25.446 -7.281 -7.281
582 1HD LYS 92 2HD LYS 92 27.687 -7.995 -7.995
583 2HD LYS 92 1HD LYS 92 28.260 -6.371 -6.371
584 1HE LYS 92 2HE LYS 92 26.867 -7.834 -7.834
585 2HE LYS 92 1HE LYS 92 28.469 -8.421 -8.421
586 1HZ LYS 92 1HZ LYS 92 29.278 -6.118 -6.118
587 2HZ LYS 92 3HZ LYS 92 27.751 -5.655 -5.655
588 3HZ LYS 92 2HZ LYS 92 28.689 -6.760 -6.760
589 HA PRO 93 HA PRO 93 27.468 -2.851 -2.851
590 1HB PRO 93 2HB PRO 93 27.462 -3.519 -3.519
591 2HB PRO 93 1HB PRO 93 28.428 -4.358 -4.358
592 1HG PRO 93 2HG PRO 93 26.002 -5.263 -5.263
593 2HG PRO 93 1HG PRO 93 27.276 -6.215 -6.215
594 1HD PRO 93 2HD PRO 93 24.687 -5.625 -5.625
595 2HD PRO 93 1HD PRO 93 26.020 -6.451 -6.451
596 H ASP 94 H ASP 94 27.308 -1.557 -1.557
597 HA ASP 94 HA ASP 94 26.217 0.110 0.110
598 1HB ASP 94 2HB ASP 94 24.589 -1.937 -1.937
599 2HB ASP 94 1HB ASP 94 23.542 -1.018 -1.018
600 H ASP 95 H ASP 95 25.420 2.125 2.125
601 HA ASP 95 HA ASP 95 23.722 2.835 2.835
602 1HB ASP 95 2HB ASP 95 26.157 2.129 2.129
603 2HB ASP 95 1HB ASP 95 26.397 3.855 3.855
604 H VAL 96 H VAL 96 24.698 5.373 5.373
605 HA VAL 96 HA VAL 96 24.815 7.519 7.519
606 HB VAL 96 HB VAL 96 25.821 6.692 6.692
607 H LEU 97 H LEU 97 24.416 8.311 8.311
608 HA LEU 97 HA LEU 97 21.643 8.550 8.550
609 1HB LEU 97 2HB LEU 97 23.616 9.672 9.672
610 2HB LEU 97 1HB LEU 97 23.031 8.505 8.505
611 HG LEU 97 HG LEU 97 20.689 9.366 9.366
612 1HD1 LEU 97 1HD1 LEU 97 22.325 11.392 11.392
613 2HD1 LEU 97 3HD1 LEU 97 20.694 11.735 11.735
614 3HD1 LEU 97 2HD1 LEU 97 20.965 10.433 10.433
615 1HD2 LEU 97 2HD2 LEU 97 22.853 11.128 11.128
616 2HD2 LEU 97 1HD2 LEU 97 21.712 10.093 10.093
617 3HD2 LEU 97 3HD2 LEU 97 21.148 11.573 11.573
618 H ALA 98 H ALA 98 23.624 5.870 5.870
619 HA ALA 98 HA ALA 98 22.108 4.609 4.609
620 1HB ALA 98 1HB ALA 98 24.342 3.918 3.918
621 2HB ALA 98 3HB ALA 98 23.215 2.913 2.913
622 3HB ALA 98 2HB ALA 98 23.349 2.727 2.727
623 H ALA 99 H ALA 99 21.412 5.013 5.013
624 HA ALA 99 HA ALA 99 18.831 3.654 3.654
625 1HB ALA 99 3HB ALA 99 20.900 3.031 3.031
626 2HB ALA 99 2HB ALA 99 19.194 2.920 2.920
627 3HB ALA 99 1HB ALA 99 19.831 1.939 1.939
628 H CYS 100 H CYS 100 17.143 4.751 4.751
629 HA CYS 100 HA CYS 100 17.595 6.731 6.731
630 1HB CYS 100 2HB CYS 100 18.038 7.901 7.901
631 2HB CYS 100 1HB CYS 100 16.376 7.552 7.552
632 H CYS 101 H CYS 101 15.261 5.326 5.326
633 HA CYS 101 HA CYS 101 13.084 5.892 5.892
634 1HB CYS 101 2HB CYS 101 13.264 5.150 5.150
635 2HB CYS 101 1HB CYS 101 11.841 4.593 4.593
636 H MET 102 H MET 102 14.941 3.186 3.186
637 HA MET 102 HA MET 102 15.058 0.982 0.982
638 1HB MET 102 2HB MET 102 14.574 2.431 2.431
639 2HB MET 102 1HB MET 102 13.394 1.123 1.123
640 1HG MET 102 2HG MET 102 15.145 -0.537 -0.537
641 2HG MET 102 1HG MET 102 16.355 0.727 0.727
642 1HE MET 102 2HE MET 102 17.453 -0.872 -0.872
643 2HE MET 102 1HE MET 102 17.534 -0.637 -0.637
644 3HE MET 102 3HE MET 102 16.339 -1.742 -1.742
645 H GLN 103 H GLN 103 13.871 -0.921 -0.921
646 HA GLN 103 HA GLN 103 11.033 -1.050 -1.050
647 1HB GLN 103 2HB GLN 103 10.611 -1.371 -1.371
648 2HB GLN 103 1HB GLN 103 10.878 0.275 0.275
649 1HG GLN 103 2HG GLN 103 12.958 0.421 0.421
650 2HG GLN 103 1HG GLN 103 13.256 -1.311 -1.311
651 H MET 104 H MET 104 10.230 -2.993 -2.993
652 HA MET 104 HA MET 104 12.263 -5.130 -5.130
653 1HB MET 104 2HB MET 104 10.759 -5.301 -5.301
654 2HB MET 104 1HB MET 104 9.390 -5.465 -5.465
655 1HG MET 104 2HG MET 104 10.851 -7.380 -7.380
656 2HG MET 104 1HG MET 104 11.652 -7.373 -7.373
657 1HE MET 104 2HE MET 104 10.346 -7.460 -7.460
658 2HE MET 104 1HE MET 104 9.425 -8.955 -8.955
659 3HE MET 104 3HE MET 104 11.029 -8.966 -8.966
660 H THR 105 H THR 105 12.537 -5.408 -5.408
661 HA THR 105 HA THR 105 10.686 -4.961 -4.961
662 HB THR 105 HB THR 105 12.282 -7.031 -7.031
663 HG1 THR 105 1HG THR 105 14.364 -6.221 -6.221
664 H ALA 106 H ALA 106 10.292 -7.078 -7.078
665 HA ALA 106 HA ALA 106 8.764 -8.972 -8.972
666 1HB ALA 106 2HB ALA 106 7.644 -6.977 -6.977
667 2HB ALA 106 1HB ALA 106 7.547 -8.379 -8.379
668 3HB ALA 106 3HB ALA 106 6.819 -8.441 -8.441
669 H ALA 107 H ALA 107 11.310 -9.725 -9.725
670 HA ALA 107 HA ALA 107 10.479 -11.655 -11.655
671 1HB ALA 107 3HB ALA 107 12.377 -9.808 -9.808
672 2HB ALA 107 2HB ALA 107 13.368 -11.053 -11.053
673 3HB ALA 107 1HB ALA 107 12.452 -11.427 -11.427
674 H ALA 108 H ALA 108 11.775 -13.687 -13.687
675 HA ALA 108 HA ALA 108 11.741 -14.793 -14.793
676 1HB ALA 108 2HB ALA 108 12.312 -15.835 -15.835
677 2HB ALA 108 1HB ALA 108 12.889 -16.765 -16.765
678 3HB ALA 108 3HB ALA 108 11.169 -16.419 -16.419
679 H ASP 109 H ASP 109 14.065 -12.966 -12.966
680 HA ASP 109 HA ASP 109 16.131 -13.928 -13.928
681 1HB ASP 109 2HB ASP 109 16.364 -14.588 -14.588
682 2HB ASP 109 1HB ASP 109 16.966 -12.933 -12.933
683 H GLN 110 H GLN 110 14.100 -11.568 -11.568
684 HA GLN 110 HA GLN 110 15.984 -9.369 -9.369
685 1HB GLN 110 2HB GLN 110 13.232 -9.657 -9.657
686 2HB GLN 110 1HB GLN 110 13.392 -8.386 -8.386
687 1HG GLN 110 2HG GLN 110 13.650 -7.431 -7.431
688 2HG GLN 110 1HG GLN 110 15.193 -7.356 -7.356
689 H CYS 111 H CYS 111 13.650 -10.984 -10.984
690 HA CYS 111 HA CYS 111 13.016 -10.697 -10.697
691 1HB CYS 111 2HB CYS 111 14.819 -11.138 -11.138
692 2HB CYS 111 1HB CYS 111 15.089 -12.069 -12.069
693 H TRP 112 H TRP 112 14.317 -9.366 -9.366
694 HA TRP 112 HA TRP 112 13.468 -6.645 -6.645
695 1HB TRP 112 2HB TRP 112 13.589 -6.250 -6.250
696 2HB TRP 112 1HB TRP 112 12.657 -7.707 -7.707
697 HD1 TRP 112 HD TRP 112 13.807 -10.064 -10.064
698 HE1 TRP 112 1HE TRP 112 15.707 -10.683 -10.683
699 HE3 TRP 112 3HE TRP 112 15.798 -5.437 -5.437
700 HZ2 TRP 112 2HZ TRP 112 17.794 -9.389 -9.389
701 HZ3 TRP 112 3HZ TRP 112 17.738 -5.159 -5.159
702 HH2 TRP 112 HH TRP 112 18.739 -7.128 -7.128
703 H ASP 113 H ASP 113 14.724 -4.839 -4.839
704 HA ASP 113 HA ASP 113 17.366 -4.701 -4.701
705 1HB ASP 113 2HB ASP 113 18.571 -4.537 -4.537
706 2HB ASP 113 1HB ASP 113 17.989 -6.163 -6.163
707 H ASP 114 H ASP 114 18.203 -2.610 -2.610
708 HA ASP 114 HA ASP 114 16.395 -0.496 -0.496
709 1HB ASP 114 2HB ASP 114 18.389 0.981 0.981
710 2HB ASP 114 1HB ASP 114 18.492 -0.252 -0.252
711 H LEU 115 H LEU 115 16.577 1.404 1.404
712 HA LEU 115 HA LEU 115 17.542 0.933 0.933
713 1HB LEU 115 2HB LEU 115 14.958 -0.068 -0.068
714 2HB LEU 115 1HB LEU 115 14.707 1.385 1.385
715 HG LEU 115 HG LEU 115 16.764 0.196 0.196
716 1HD1 LEU 115 3HD1 LEU 115 15.279 -1.889 -1.889
717 2HD1 LEU 115 2HD1 LEU 115 15.605 -2.230 -2.230
718 3HD1 LEU 115 1HD1 LEU 115 16.940 -1.898 -1.898
719 1HD2 LEU 115 3HD2 LEU 115 13.814 0.340 0.340
720 2HD2 LEU 115 2HD2 LEU 115 15.068 0.834 0.834
721 3HD2 LEU 115 1HD2 LEU 115 14.605 -0.861 -0.861
722 HA PRO 116 HA PRO 116 17.139 5.342 5.342
723 1HB PRO 116 2HB PRO 116 17.132 5.866 5.866
724 2HB PRO 116 1HB PRO 116 18.572 5.361 5.361
725 1HG PRO 116 2HG PRO 116 16.906 3.822 3.822
726 2HG PRO 116 1HG PRO 116 18.608 3.611 3.611
727 1HD PRO 116 2HD PRO 116 16.418 2.067 2.067
728 2HD PRO 116 1HD PRO 116 18.090 2.022 2.022
729 H CYS 117 H CYS 117 15.515 6.842 6.842
730 HA CYS 117 HA CYS 117 12.859 6.222 6.222
731 1HB CYS 117 2HB CYS 117 14.202 8.897 8.897
732 2HB CYS 117 1HB CYS 117 12.450 8.725 8.725
733 HA PRO 118 HA PRO 118 12.340 7.788 7.788
734 1HB PRO 118 2HB PRO 118 14.569 8.149 8.149
735 2HB PRO 118 1HB PRO 118 13.824 9.432 9.432
736 1HG PRO 118 2HG PRO 118 16.304 7.877 7.877
737 2HG PRO 118 1HG PRO 118 15.896 9.536 9.536
738 1HD PRO 118 2HD PRO 118 15.821 7.314 7.314
739 2HD PRO 118 1HD PRO 118 15.027 8.874 8.874
740 H ALA 119 H ALA 119 11.642 5.558 5.558
741 HA ALA 119 HA ALA 119 12.914 3.988 3.988
742 1HB ALA 119 2HB ALA 119 14.183 3.454 3.454
743 2HB ALA 119 1HB ALA 119 12.694 2.666 2.666
744 3HB ALA 119 3HB ALA 119 13.543 2.100 2.100
745 H SER 120 H SER 120 10.659 5.012 5.012
746 HA SER 120 HA SER 120 8.289 4.324 4.324
747 1HB SER 120 2HB SER 120 9.144 5.302 5.302
748 2HB SER 120 1HB SER 120 8.088 3.951 3.951
749 HG SER 120 HG SER 120 7.546 6.364 6.364
750 H HIS 121 H HIS 121 7.915 2.419 2.419
751 HA HIS 121 HA HIS 121 7.681 0.115 0.115
752 1HB HIS 121 2HB HIS 121 8.892 0.080 0.080
753 2HB HIS 121 1HB HIS 121 8.504 -1.337 -1.337
754 HD1 HIS 121 1HD HIS 121 11.439 -0.078 -0.078
755 HD2 HIS 121 2HD HIS 121 9.733 -0.218 -0.218
756 HE1 HIS 121 1HE HIS 121 13.352 0.092 0.092
757 H LYS 122 H LYS 122 5.498 0.804 0.804
758 HA LYS 122 HA LYS 122 3.298 0.797 0.797
759 1HB LYS 122 2HB LYS 122 4.494 -1.672 -1.672
760 2HB LYS 122 1HB LYS 122 2.819 -1.261 -1.261
761 1HG LYS 122 2HG LYS 122 2.920 -2.726 -2.726
762 2HG LYS 122 1HG LYS 122 2.354 -1.125 -1.125
763 1HD LYS 122 2HD LYS 122 4.212 -0.691 -0.691
764 2HD LYS 122 1HD LYS 122 5.289 -1.484 -1.484
765 1HE LYS 122 2HE LYS 122 5.422 -3.148 -3.148
766 2HE LYS 122 1HE LYS 122 3.806 -3.600 -3.600
767 1HZ LYS 122 3HZ LYS 122 4.093 -1.492 -1.492
768 2HZ LYS 122 2HZ LYS 122 4.281 -3.112 -3.112
769 3HZ LYS 122 1HZ LYS 122 2.827 -2.595 -2.595
770 H SER 123 H SER 123 1.880 0.371 0.371
771 HA SER 123 HA SER 123 3.151 1.617 1.617
772 1HB SER 123 2HB SER 123 2.214 3.532 3.532
773 2HB SER 123 1HB SER 123 0.701 2.684 2.684
774 HG SER 123 HG SER 123 0.114 3.015 3.015
775 H VAL 124 H VAL 124 2.093 1.166 1.166
776 HA VAL 124 HA VAL 124 -0.103 -0.808 -0.808
777 HB VAL 124 HB VAL 124 2.219 -0.898 -0.898
778 H CYS 125 H CYS 125 -1.847 -0.021 -0.021
779 HA CYS 125 HA CYS 125 -1.531 1.764 1.764
780 1HB CYS 125 2HB CYS 125 -3.562 1.806 1.806
781 2HB CYS 125 1HB CYS 125 -3.825 2.643 2.643
782 H ALA 126 H ALA 126 -2.433 1.107 1.107
783 HA ALA 126 HA ALA 126 -4.575 -0.934 -0.934
784 1HB ALA 126 1HB ALA 126 -2.413 -2.020 -2.020
785 2HB ALA 126 3HB ALA 126 -2.264 -0.931 -0.931
786 3HB ALA 126 2HB ALA 126 -3.584 -2.098 -2.098
787 H MET 127 H MET 127 -6.015 -0.908 -0.908
788 HA MET 127 HA MET 127 -5.808 1.394 1.394
789 1HB MET 127 2HB MET 127 -8.317 0.784 0.784
790 2HB MET 127 1HB MET 127 -8.065 2.121 2.121
791 1HG MET 127 2HG MET 127 -5.992 2.574 2.574
792 2HG MET 127 1HG MET 127 -7.080 1.777 1.777
793 1HE MET 127 1HE MET 127 -6.727 4.021 4.021
794 2HE MET 127 3HE MET 127 -7.358 5.595 5.595
795 3HE MET 127 2HE MET 127 -8.425 4.414 4.414
796 H THR 128 H THR 128 -7.223 1.232 1.232
797 HA THR 128 HA THR 128 -8.537 -1.342 -1.342
798 HB THR 128 HB THR 128 -7.312 -1.831 -1.831
799 HG1 THR 128 1HG THR 128 -6.637 -0.031 -0.031
800 H PHE 129 H PHE 129 -9.110 -1.200 -1.200
801 HA PHE 129 HA PHE 129 -10.449 1.422 1.422
802 1HB PHE 129 2HB PHE 129 -11.458 -1.286 -1.286
803 2HB PHE 129 1HB PHE 129 -12.284 0.258 0.258
804 HD1 PHE 129 1HD PHE 129 -10.830 -1.949 -1.949
805 HD2 PHE 129 2HD PHE 129 -13.744 1.046 1.046
806 HE1 PHE 129 1HE PHE 129 -11.828 -2.169 -2.169
807 HE2 PHE 129 2HE PHE 129 -14.742 0.826 0.826
808 HZ PHE 129 HZ PHE 129 -13.784 -0.781 -0.781
Start of MODEL 3
1 1H GLN 1 2HT GLN 1 -29.012 10.974 10.974
2 2H GLN 1 1HT GLN 1 -29.163 12.032 12.032
3 3H GLN 1 3HT GLN 1 -29.339 10.362 10.362
4 HA GLN 1 HA GLN 1 -27.180 11.101 11.101
5 1HB GLN 1 2HB GLN 1 -27.153 12.997 12.997
6 2HB GLN 1 1HB GLN 1 -26.560 11.775 11.775
7 1HG GLN 1 2HG GLN 1 -24.863 11.266 11.266
8 2HG GLN 1 1HG GLN 1 -25.225 12.938 12.938
9 H ARG 2 H ARG 2 -25.807 9.414 9.414
10 HA ARG 2 HA ARG 2 -26.183 7.170 7.170
11 1HB ARG 2 2HB ARG 2 -24.783 7.280 7.280
12 2HB ARG 2 1HB ARG 2 -25.046 5.827 5.827
13 1HG ARG 2 2HG ARG 2 -26.910 5.680 5.680
14 2HG ARG 2 1HG ARG 2 -27.576 6.723 6.723
15 1HD ARG 2 2HD ARG 2 -27.507 8.604 8.604
16 2HD ARG 2 1HD ARG 2 -26.115 8.037 8.037
17 HE ARG 2 HE ARG 2 -28.129 6.324 6.324
18 1HH1 ARG 2 1HH2 ARG 2 -29.785 8.876 8.876
19 2HH1 ARG 2 2HH2 ARG 2 -29.923 9.568 9.568
20 1HH2 ARG 2 1HH1 ARG 2 -27.414 7.604 7.604
21 2HH2 ARG 2 2HH1 ARG 2 -28.581 8.848 8.848
22 H ALA 3 H ALA 3 -24.228 5.872 5.872
23 HA ALA 3 HA ALA 3 -21.637 7.091 7.091
24 1HB ALA 3 3HB ALA 3 -23.252 7.268 7.268
25 2HB ALA 3 2HB ALA 3 -21.488 7.276 7.276
26 3HB ALA 3 1HB ALA 3 -22.371 8.552 8.552
27 H GLY 4 H GLY 4 -20.169 5.521 5.521
28 1HA GLY 4 2HA GLY 4 -21.049 2.849 2.849
29 2HA GLY 4 1HA GLY 4 -19.582 3.230 3.230
30 HA PRO 5 HA PRO 5 -18.701 2.973 2.973
31 1HB PRO 5 2HB PRO 5 -18.057 0.337 0.337
32 2HB PRO 5 1HB PRO 5 -19.688 0.983 0.983
33 1HG PRO 5 2HG PRO 5 -18.617 -0.658 -0.658
34 2HG PRO 5 1HG PRO 5 -20.281 -0.493 -0.493
35 1HD PRO 5 2HD PRO 5 -19.147 0.756 0.756
36 2HD PRO 5 1HD PRO 5 -20.744 1.085 1.085
37 H ASN 6 H ASN 6 -17.088 0.676 0.676
38 HA ASN 6 HA ASN 6 -14.467 1.412 1.412
39 1HB ASN 6 2HB ASN 6 -15.504 -0.614 -0.614
40 2HB ASN 6 1HB ASN 6 -13.795 -0.179 -0.179
41 1HD2 ASN 6 1HD2 ASN 6 -13.046 0.080 0.080
42 2HD2 ASN 6 2HD2 ASN 6 -13.372 -1.328 -1.328
43 H CYS 7 H CYS 7 -15.872 1.278 1.278
44 HA CYS 7 HA CYS 7 -14.476 3.801 3.801
45 1HB CYS 7 2HB CYS 7 -14.320 1.192 1.192
46 2HB CYS 7 1HB CYS 7 -14.116 2.724 2.724
47 HA PRO 8 HA PRO 8 -18.408 4.743 4.743
48 1HB PRO 8 2HB PRO 8 -17.696 6.902 6.902
49 2HB PRO 8 1HB PRO 8 -17.842 6.944 6.944
50 1HG PRO 8 2HG PRO 8 -15.411 6.967 6.967
51 2HG PRO 8 1HG PRO 8 -15.651 7.576 7.576
52 1HD PRO 8 2HD PRO 8 -14.395 5.130 5.130
53 2HD PRO 8 1HD PRO 8 -14.825 5.650 5.650
54 H ALA 9 H ALA 9 -15.880 5.273 5.273
55 HA ALA 9 HA ALA 9 -17.573 4.476 4.476
56 1HB ALA 9 2HB ALA 9 -15.586 6.043 6.043
57 2HB ALA 9 1HB ALA 9 -14.555 4.618 4.618
58 3HB ALA 9 3HB ALA 9 -15.662 4.782 4.782
59 H GLY 10 H GLY 10 -16.300 2.818 2.818
60 1HA GLY 10 2HA GLY 10 -16.803 0.250 0.250
61 2HA GLY 10 1HA GLY 10 -15.936 0.587 0.587
62 H TRP 11 H TRP 11 -13.705 1.854 1.854
63 HA TRP 11 HA TRP 11 -11.580 1.521 1.521
64 1HB TRP 11 2HB TRP 11 -13.356 1.043 1.043
65 2HB TRP 11 1HB TRP 11 -11.878 0.095 0.095
66 HD1 TRP 11 HD TRP 11 -13.141 3.690 3.690
67 HE1 TRP 11 1HE TRP 11 -11.266 5.280 5.280
68 HE3 TRP 11 3HE TRP 11 -9.274 0.372 0.372
69 HZ2 TRP 11 2HZ TRP 11 -8.496 5.164 5.164
70 HZ3 TRP 11 3HZ TRP 11 -7.037 1.141 1.141
71 HH2 TRP 11 HH TRP 11 -6.639 3.525 3.525
72 H GLN 12 H GLN 12 -10.358 -0.515 -0.515
73 HA GLN 12 HA GLN 12 -11.028 -2.972 -2.972
74 1HB GLN 12 2HB GLN 12 -8.564 -1.358 -1.358
75 2HB GLN 12 1HB GLN 12 -8.305 -3.087 -3.087
76 1HG GLN 12 2HG GLN 12 -10.241 -3.182 -3.182
77 2HG GLN 12 1HG GLN 12 -9.511 -1.634 -1.634
78 HA PRO 13 HA PRO 13 -9.975 -3.616 -3.616
79 1HB PRO 13 2HB PRO 13 -12.430 -4.447 -4.447
80 2HB PRO 13 1HB PRO 13 -11.916 -2.754 -2.754
81 1HG PRO 13 2HG PRO 13 -13.812 -4.160 -4.160
82 2HG PRO 13 1HG PRO 13 -13.727 -2.445 -2.445
83 1HD PRO 13 2HD PRO 13 -12.809 -3.627 -3.627
84 2HD PRO 13 1HD PRO 13 -12.499 -1.964 -1.964
85 H LEU 14 H LEU 14 -8.833 -5.461 -5.461
86 HA LEU 14 HA LEU 14 -9.469 -7.847 -7.847
87 1HB LEU 14 2HB LEU 14 -7.189 -7.184 -7.184
88 2HB LEU 14 1HB LEU 14 -7.733 -7.620 -7.620
89 HG LEU 14 HG LEU 14 -8.462 -9.864 -9.864
90 1HD1 LEU 14 2HD1 LEU 14 -7.557 -8.720 -8.720
91 2HD1 LEU 14 1HD1 LEU 14 -5.981 -9.216 -9.216
92 3HD1 LEU 14 3HD1 LEU 14 -7.220 -10.426 -10.426
93 1HD2 LEU 14 1HD2 LEU 14 -5.789 -8.993 -8.993
94 2HD2 LEU 14 3HD2 LEU 14 -6.969 -10.087 -10.087
95 3HD2 LEU 14 2HD2 LEU 14 -5.979 -10.627 -10.627
96 H GLY 15 H GLY 15 -9.408 -7.359 -7.359
97 1HA GLY 15 2HA GLY 15 -11.466 -9.470 -9.470
98 2HA GLY 15 1HA GLY 15 -10.300 -9.042 -9.042
99 H ASP 16 H ASP 16 -10.458 -6.723 -6.723
100 HA ASP 16 HA ASP 16 -13.256 -5.781 -5.781
101 1HB ASP 16 2HB ASP 16 -11.561 -6.650 -6.650
102 2HB ASP 16 1HB ASP 16 -12.558 -5.212 -5.212
103 H ARG 17 H ARG 17 -9.840 -5.068 -5.068
104 HA ARG 17 HA ARG 17 -10.094 -2.293 -2.293
105 1HB ARG 17 2HB ARG 17 -7.748 -3.668 -3.668
106 2HB ARG 17 1HB ARG 17 -7.721 -2.167 -2.167
107 1HG ARG 17 2HG ARG 17 -8.656 -3.630 -3.630
108 2HG ARG 17 1HG ARG 17 -8.056 -4.988 -4.988
109 1HD ARG 17 2HD ARG 17 -5.971 -3.093 -3.093
110 2HD ARG 17 1HD ARG 17 -6.578 -3.111 -3.111
111 HE ARG 17 HE ARG 17 -5.277 -5.323 -5.323
112 1HH1 ARG 17 1HH1 ARG 17 -4.321 -4.600 -4.600
113 2HH1 ARG 17 2HH1 ARG 17 -5.105 -5.737 -5.737
114 1HH2 ARG 17 1HH2 ARG 17 -7.503 -6.632 -6.632
115 2HH2 ARG 17 2HH2 ARG 17 -6.908 -6.888 -6.888
116 H CYS 18 H CYS 18 -8.384 -1.149 -1.149
117 HA CYS 18 HA CYS 18 -9.850 -1.458 -1.458
118 1HB CYS 18 2HB CYS 18 -9.642 0.989 0.989
119 2HB CYS 18 1HB CYS 18 -9.493 1.194 1.194
120 H ILE 19 H ILE 19 -8.426 -1.774 -1.774
121 HA ILE 19 HA ILE 19 -5.832 -0.396 -0.396
122 HB ILE 19 HB ILE 19 -5.472 -2.636 -2.636
123 1HD1 ILE 19 2HD1 ILE 19 -3.334 -3.663 -3.663
124 2HD1 ILE 19 1HD1 ILE 19 -3.819 -4.561 -4.561
125 3HD1 ILE 19 3HD1 ILE 19 -2.382 -3.540 -3.540
126 H TYR 20 H TYR 20 -4.691 -0.481 -0.481
127 HA TYR 20 HA TYR 20 -6.569 -0.790 -0.790
128 1HB TYR 20 2HB TYR 20 -4.911 1.565 1.565
129 2HB TYR 20 1HB TYR 20 -5.097 1.221 1.221
130 HD1 TYR 20 1HD TYR 20 -7.869 0.183 0.183
131 HD2 TYR 20 2HD TYR 20 -6.269 3.412 3.412
132 HE1 TYR 20 1HE TYR 20 -10.086 1.280 1.280
133 HE2 TYR 20 2HE TYR 20 -8.497 4.494 4.494
134 HH TYR 20 HH TYR 20 -10.890 3.805 3.805
135 H TYR 21 H TYR 21 -5.156 -0.376 -0.376
136 HA TYR 21 HA TYR 21 -2.506 -1.517 -1.517
137 1HB TYR 21 2HB TYR 21 -3.761 -3.586 -3.586
138 2HB TYR 21 1HB TYR 21 -4.856 -3.120 -3.120
139 HD1 TYR 21 2HD TYR 21 -1.438 -4.294 -4.294
140 HD2 TYR 21 1HD TYR 21 -4.198 -3.276 -3.276
141 HE1 TYR 21 2HE TYR 21 0.043 -5.380 -5.380
142 HE2 TYR 21 1HE TYR 21 -2.715 -4.365 -4.365
143 HH TYR 21 HH TYR 21 -0.150 -6.400 -6.400
144 H GLU 22 H GLU 22 -1.480 -1.290 -1.290
145 HA GLU 22 HA GLU 22 -3.109 0.025 0.025
146 1HB GLU 22 2HB GLU 22 -0.421 1.057 1.057
147 2HB GLU 22 1HB GLU 22 -1.444 1.757 1.757
148 1HG GLU 22 2HG GLU 22 -3.256 1.859 1.859
149 2HG GLU 22 1HG GLU 22 -1.884 1.698 1.698
150 H THR 23 H THR 23 -1.395 0.516 0.516
151 HA THR 23 HA THR 23 0.261 -1.882 -1.882
152 HB THR 23 HB THR 23 -0.662 -2.045 -2.045
153 HG1 THR 23 1HG THR 23 -1.723 -0.267 -0.267
154 H THR 24 H THR 24 -0.706 1.343 1.343
155 HA THR 24 HA THR 24 1.285 1.810 1.810
156 HB THR 24 HB THR 24 0.551 3.998 3.998
157 HG1 THR 24 1HG THR 24 -1.428 3.228 3.228
158 H ALA 25 H ALA 25 3.426 2.124 2.124
159 HA ALA 25 HA ALA 25 4.926 1.481 1.481
160 1HB ALA 25 1HB ALA 25 5.525 2.622 2.622
161 2HB ALA 25 3HB ALA 25 6.740 2.872 2.872
162 3HB ALA 25 2HB ALA 25 6.237 1.236 1.236
163 H MET 26 H MET 26 4.774 2.562 2.562
164 HA MET 26 HA MET 26 5.291 5.478 5.478
165 1HB MET 26 2HB MET 26 3.645 4.103 4.103
166 2HB MET 26 1HB MET 26 3.810 5.830 5.830
167 1HG MET 26 2HG MET 26 2.862 4.934 4.934
168 2HG MET 26 1HG MET 26 2.055 3.837 3.837
169 1HE MET 26 3HE MET 26 1.062 6.062 6.062
170 2HE MET 26 2HE MET 26 -0.202 5.158 5.158
171 3HE MET 26 1HE MET 26 -0.260 6.918 6.918
172 H THR 27 H THR 27 7.240 5.851 5.851
173 HA THR 27 HA THR 27 8.594 3.856 3.856
174 HB THR 27 HB THR 27 9.194 6.368 6.368
175 HG1 THR 27 1HG THR 27 10.914 5.244 5.244
176 H TRP 28 H TRP 28 7.830 7.169 7.169
177 HA TRP 28 HA TRP 28 6.699 6.410 6.410
178 1HB TRP 28 2HB TRP 28 9.341 5.999 5.999
179 2HB TRP 28 1HB TRP 28 9.364 7.716 7.716
180 HD1 TRP 28 HD TRP 28 9.416 4.457 4.457
181 HE1 TRP 28 1HE TRP 28 8.654 4.466 4.466
182 HE3 TRP 28 3HE TRP 28 7.277 9.085 9.085
183 HZ2 TRP 28 2HZ TRP 28 7.323 6.219 6.219
184 HZ3 TRP 28 3HZ TRP 28 6.279 9.903 9.903
185 HH2 TRP 28 HH TRP 28 6.300 8.479 8.479
186 H ALA 29 H ALA 29 8.605 8.906 8.906
187 HA ALA 29 HA ALA 29 7.506 11.137 11.137
188 1HB ALA 29 3HB ALA 29 9.559 10.985 10.985
189 2HB ALA 29 2HB ALA 29 8.360 11.282 11.282
190 3HB ALA 29 1HB ALA 29 8.594 12.461 12.461
191 H LEU 30 H LEU 30 6.442 9.201 9.201
192 HA LEU 30 HA LEU 30 4.148 10.993 10.993
193 1HB LEU 30 2HB LEU 30 5.046 8.575 8.575
194 2HB LEU 30 1HB LEU 30 3.761 9.697 9.697
195 HG LEU 30 HG LEU 30 6.592 10.625 10.625
196 1HD1 LEU 30 1HD1 LEU 30 5.328 9.808 9.808
197 2HD1 LEU 30 3HD1 LEU 30 6.904 10.577 10.577
198 3HD1 LEU 30 2HD1 LEU 30 6.634 8.955 8.955
199 1HD2 LEU 30 1HD2 LEU 30 4.566 12.205 12.205
200 2HD2 LEU 30 3HD2 LEU 30 5.882 12.613 12.613
201 3HD2 LEU 30 2HD2 LEU 30 4.426 11.834 11.834
202 H ALA 31 H ALA 31 5.027 7.841 7.841
203 HA ALA 31 HA ALA 31 2.433 6.672 6.672
204 1HB ALA 31 3HB ALA 31 5.055 6.045 6.045
205 2HB ALA 31 2HB ALA 31 3.631 5.334 5.334
206 3HB ALA 31 1HB ALA 31 3.975 5.016 5.016
207 H GLU 32 H GLU 32 4.284 7.474 7.474
208 HA GLU 32 HA GLU 32 2.180 7.507 7.507
209 1HB GLU 32 2HB GLU 32 4.657 7.593 7.593
210 2HB GLU 32 1HB GLU 32 4.564 9.333 9.333
211 1HG GLU 32 2HG GLU 32 2.563 8.072 8.072
212 2HG GLU 32 1HG GLU 32 4.204 8.330 8.330
213 H THR 33 H THR 33 3.507 10.320 10.320
214 HA THR 33 HA THR 33 2.077 12.359 12.359
215 HB THR 33 HB THR 33 3.761 12.703 12.703
216 HG1 THR 33 1HG THR 33 2.752 14.479 14.479
217 H ASN 34 H ASN 34 0.936 10.142 10.142
218 HA ASN 34 HA ASN 34 -1.572 11.362 11.362
219 1HB ASN 34 2HB ASN 34 -0.477 9.541 9.541
220 2HB ASN 34 1HB ASN 34 -1.027 8.396 8.396
221 1HD2 ASN 34 1HD2 ASN 34 -2.302 10.987 10.987
222 2HD2 ASN 34 2HD2 ASN 34 -3.827 10.269 10.269
223 H CYS 35 H CYS 35 -0.729 8.539 8.539
224 HA CYS 35 HA CYS 35 -3.287 8.278 8.278
225 1HB CYS 35 2HB CYS 35 -0.569 7.180 7.180
226 2HB CYS 35 1HB CYS 35 -1.754 7.092 7.092
227 H MET 36 H MET 36 -0.819 10.593 10.593
228 HA MET 36 HA MET 36 -0.907 11.113 11.113
229 1HB MET 36 2HB MET 36 0.526 12.298 12.298
230 2HB MET 36 1HB MET 36 -0.892 13.242 13.242
231 1HG MET 36 2HG MET 36 0.326 14.543 14.543
232 2HG MET 36 1HG MET 36 -1.107 13.916 13.916
233 1HE MET 36 1HE MET 36 0.212 14.778 14.778
234 2HE MET 36 3HE MET 36 -0.698 13.344 13.344
235 3HE MET 36 2HE MET 36 0.957 13.575 13.575
236 H LYS 37 H LYS 37 -3.225 12.039 12.039
237 HA LYS 37 HA LYS 37 -4.835 13.659 13.659
238 1HB LYS 37 2HB LYS 37 -4.792 13.868 13.868
239 2HB LYS 37 1HB LYS 37 -5.685 12.348 12.348
240 1HG LYS 37 2HG LYS 37 -7.501 13.739 13.739
241 2HG LYS 37 1HG LYS 37 -7.206 13.687 13.687
242 1HD LYS 37 2HD LYS 37 -7.196 15.969 15.969
243 2HD LYS 37 1HD LYS 37 -5.506 15.670 15.670
244 1HE LYS 37 2HE LYS 37 -6.258 17.000 17.000
245 2HE LYS 37 1HE LYS 37 -6.370 15.361 15.361
246 1HZ LYS 37 2HZ LYS 37 -8.719 15.342 15.342
247 2HZ LYS 37 1HZ LYS 37 -8.580 16.973 16.973
248 3HZ LYS 37 3HZ LYS 37 -8.389 16.525 16.525
249 H LEU 38 H LEU 38 -5.301 10.448 10.448
250 HA LEU 38 HA LEU 38 -6.808 9.637 9.637
251 1HB LEU 38 2HB LEU 38 -8.553 8.582 8.582
252 2HB LEU 38 1HB LEU 38 -8.524 10.334 10.334
253 HG LEU 38 HG LEU 38 -6.741 9.513 9.513
254 1HD1 LEU 38 1HD1 LEU 38 -8.685 7.336 7.336
255 2HD1 LEU 38 3HD1 LEU 38 -8.465 7.761 7.761
256 3HD1 LEU 38 2HD1 LEU 38 -7.082 7.251 7.251
257 1HD2 LEU 38 2HD2 LEU 38 -9.646 10.255 10.255
258 2HD2 LEU 38 1HD2 LEU 38 -8.275 11.137 11.137
259 3HD2 LEU 38 3HD2 LEU 38 -8.927 9.736 9.736
260 H GLY 39 H GLY 39 -6.229 7.680 7.680
261 1HA GLY 39 2HA GLY 39 -5.900 5.300 5.300
262 2HA GLY 39 1HA GLY 39 -4.602 6.013 6.013
263 H GLY 40 H GLY 40 -4.536 7.716 7.716
264 1HA GLY 40 2HA GLY 40 -3.353 7.545 7.545
265 2HA GLY 40 1HA GLY 40 -3.265 5.801 5.801
266 H HIS 41 H HIS 41 -1.490 4.908 4.908
267 HA HIS 41 HA HIS 41 0.479 6.439 6.439
268 1HB HIS 41 2HB HIS 41 0.864 5.871 5.871
269 2HB HIS 41 1HB HIS 41 2.256 5.700 5.700
270 HD1 HIS 41 1HD HIS 41 0.912 8.135 8.135
271 HD2 HIS 41 2HD HIS 41 2.128 8.247 8.247
272 HE1 HIS 41 1HE HIS 41 1.342 10.571 10.571
273 H LEU 42 H LEU 42 2.629 4.968 4.968
274 HA LEU 42 HA LEU 42 2.007 2.636 2.636
275 1HB LEU 42 2HB LEU 42 4.561 3.235 3.235
276 2HB LEU 42 1HB LEU 42 4.372 2.021 2.021
277 HG LEU 42 HG LEU 42 3.914 4.998 4.998
278 1HD1 LEU 42 1HD1 LEU 42 6.214 3.183 3.183
279 2HD1 LEU 42 3HD1 LEU 42 5.990 4.813 4.813
280 3HD1 LEU 42 2HD1 LEU 42 6.278 4.570 4.570
281 1HD2 LEU 42 3HD2 LEU 42 3.929 2.662 2.662
282 2HD2 LEU 42 2HD2 LEU 42 2.539 3.659 3.659
283 3HD2 LEU 42 1HD2 LEU 42 3.878 4.357 4.357
284 H ALA 43 H ALA 43 1.758 0.514 0.514
285 HA ALA 43 HA ALA 43 1.237 -0.086 -0.086
286 1HB ALA 43 1HB ALA 43 -0.177 -0.816 -0.816
287 2HB ALA 43 3HB ALA 43 1.012 -2.115 -2.115
288 3HB ALA 43 2HB ALA 43 0.035 -1.931 -1.931
289 H SER 44 H SER 44 1.867 -2.492 -2.492
290 HA SER 44 HA SER 44 4.457 -3.341 -3.341
291 1HB SER 44 2HB SER 44 4.494 -2.775 -2.775
292 2HB SER 44 1HB SER 44 5.809 -2.745 -2.745
293 HG SER 44 HG SER 44 4.435 -0.709 -0.709
294 H ILE 45 H ILE 45 1.749 -4.401 -4.401
295 HA ILE 45 HA ILE 45 0.583 -6.196 -6.196
296 HB ILE 45 HB ILE 45 1.819 -8.328 -8.328
297 1HD1 ILE 45 1HD1 ILE 45 3.802 -9.603 -9.603
298 2HD1 ILE 45 3HD1 ILE 45 4.257 -8.923 -8.923
299 3HD1 ILE 45 2HD1 ILE 45 5.391 -8.869 -8.869
300 H HIS 46 H HIS 46 0.891 -8.219 -8.219
301 HA HIS 46 HA HIS 46 2.092 -7.357 -7.357
302 1HB HIS 46 2HB HIS 46 -0.851 -7.593 -7.593
303 2HB HIS 46 1HB HIS 46 -0.216 -8.098 -8.098
304 HD1 HIS 46 1HD HIS 46 1.782 -6.101 -6.101
305 HD2 HIS 46 2HD HIS 46 -1.627 -4.961 -4.961
306 HE1 HIS 46 1HE HIS 46 1.471 -3.624 -3.624
307 H SER 47 H SER 47 -0.402 -9.739 -9.739
308 HA SER 47 HA SER 47 1.010 -11.865 -11.865
309 1HB SER 47 2HB SER 47 -1.559 -11.596 -11.596
310 2HB SER 47 1HB SER 47 -1.250 -12.301 -12.301
311 HG SER 47 HG SER 47 -1.722 -13.880 -13.880
312 H GLN 48 H GLN 48 0.761 -14.046 -14.046
313 HA GLN 48 HA GLN 48 2.879 -13.578 -13.578
314 1HB GLN 48 2HB GLN 48 2.767 -15.582 -15.582
315 2HB GLN 48 1HB GLN 48 1.551 -16.230 -16.230
316 1HG GLN 48 2HG GLN 48 3.205 -15.896 -15.896
317 2HG GLN 48 1HG GLN 48 4.416 -15.505 -15.505
318 H GLU 49 H GLU 49 -0.544 -14.315 -14.315
319 HA GLU 49 HA GLU 49 -0.882 -15.160 -15.160
320 1HB GLU 49 2HB GLU 49 -2.802 -13.674 -13.674
321 2HB GLU 49 1HB GLU 49 -3.246 -14.431 -14.431
322 1HG GLU 49 2HG GLU 49 -2.192 -16.582 -16.582
323 2HG GLU 49 1HG GLU 49 -2.332 -15.750 -15.750
324 H GLU 50 H GLU 50 -0.596 -11.999 -11.999
325 HA GLU 50 HA GLU 50 -1.394 -10.465 -10.465
326 1HB GLU 50 2HB GLU 50 0.255 -9.883 -9.883
327 2HB GLU 50 1HB GLU 50 0.169 -8.707 -8.707
328 1HG GLU 50 2HG GLU 50 -2.448 -9.236 -9.236
329 2HG GLU 50 1HG GLU 50 -1.964 -9.606 -9.606
330 H HIS 51 H HIS 51 1.589 -12.029 -12.029
331 HA HIS 51 HA HIS 51 3.327 -10.798 -10.798
332 1HB HIS 51 2HB HIS 51 3.831 -12.453 -12.453
333 2HB HIS 51 1HB HIS 51 3.650 -13.683 -13.683
334 HD1 HIS 51 1HD HIS 51 4.847 -11.850 -11.850
335 HD2 HIS 51 2HD HIS 51 6.659 -12.623 -12.623
336 HE1 HIS 51 1HE HIS 51 7.329 -11.461 -11.461
337 H SER 52 H SER 52 1.186 -13.608 -13.608
338 HA SER 52 HA SER 52 1.819 -14.624 -14.624
339 1HB SER 52 2HB SER 52 0.251 -15.639 -15.639
340 2HB SER 52 1HB SER 52 -0.976 -14.528 -14.528
341 HG SER 52 HG SER 52 -1.141 -15.672 -15.672
342 H PHE 53 H PHE 53 -0.213 -11.924 -11.924
343 HA PHE 53 HA PHE 53 -1.511 -11.462 -11.462
344 1HB PHE 53 2HB PHE 53 -1.795 -10.380 -10.380
345 2HB PHE 53 1HB PHE 53 -0.774 -9.134 -9.134
346 HD1 PHE 53 1HD PHE 53 -3.700 -11.243 -11.243
347 HD2 PHE 53 2HD PHE 53 -1.796 -7.413 -7.413
348 HE1 PHE 53 1HE PHE 53 -5.659 -10.276 -10.276
349 HE2 PHE 53 2HE PHE 53 -3.736 -6.446 -6.446
350 HZ PHE 53 HZ PHE 53 -5.699 -7.862 -7.862
351 H ILE 54 H ILE 54 1.532 -10.172 -10.172
352 HA ILE 54 HA ILE 54 2.031 -8.550 -8.550
353 HB ILE 54 HB ILE 54 4.206 -8.092 -8.092
354 1HD1 ILE 54 2HD1 ILE 54 4.937 -7.914 -7.914
355 2HD1 ILE 54 1HD1 ILE 54 5.408 -9.506 -9.506
356 3HD1 ILE 54 3HD1 ILE 54 6.016 -8.929 -8.929
357 H GLN 55 H GLN 55 2.442 -11.899 -11.899
358 HA GLN 55 HA GLN 55 4.684 -11.875 -11.875
359 1HB GLN 55 2HB GLN 55 5.722 -13.109 -13.109
360 2HB GLN 55 1HB GLN 55 4.227 -13.431 -13.431
361 1HG GLN 55 2HG GLN 55 4.848 -14.884 -14.884
362 2HG GLN 55 1HG GLN 55 5.534 -15.433 -15.433
363 H THR 56 H THR 56 1.391 -12.816 -12.816
364 HA THR 56 HA THR 56 1.289 -14.830 -14.830
365 HB THR 56 HB THR 56 -0.970 -13.160 -13.160
366 HG1 THR 56 1HG THR 56 -0.903 -14.462 -14.462
367 H LEU 57 H LEU 57 0.905 -11.347 -11.347
368 HA LEU 57 HA LEU 57 0.299 -11.310 -11.310
369 1HB LEU 57 2HB LEU 57 -0.009 -9.105 -9.105
370 2HB LEU 57 1HB LEU 57 -0.468 -9.008 -9.008
371 HG LEU 57 HG LEU 57 -1.564 -11.197 -11.197
372 1HD1 LEU 57 3HD1 LEU 57 -1.909 -8.657 -8.657
373 2HD1 LEU 57 2HD1 LEU 57 -3.160 -8.716 -8.716
374 3HD1 LEU 57 1HD1 LEU 57 -3.204 -9.850 -9.850
375 1HD2 LEU 57 1HD2 LEU 57 -2.270 -9.867 -9.867
376 2HD2 LEU 57 3HD2 LEU 57 -2.066 -11.584 -11.584
377 3HD2 LEU 57 2HD2 LEU 57 -3.501 -10.733 -10.733
378 H ASN 58 H ASN 58 2.563 -10.284 -10.284
379 HA ASN 58 HA ASN 58 4.669 -9.404 -9.404
380 1HB ASN 58 2HB ASN 58 4.477 -10.154 -10.154
381 2HB ASN 58 1HB ASN 58 5.956 -9.721 -9.721
382 1HD2 ASN 58 1HD2 ASN 58 5.599 -11.106 -11.106
383 2HD2 ASN 58 2HD2 ASN 58 5.531 -12.772 -12.772
384 H ALA 59 H ALA 59 3.675 -8.449 -8.449
385 HA ALA 59 HA ALA 59 3.577 -6.375 -6.375
386 1HB ALA 59 1HB ALA 59 1.980 -6.250 -6.250
387 2HB ALA 59 3HB ALA 59 2.515 -4.670 -4.670
388 3HB ALA 59 2HB ALA 59 1.582 -5.719 -5.719
389 H GLY 60 H GLY 60 6.029 -6.495 -6.495
390 1HA GLY 60 2HA GLY 60 8.037 -5.431 -5.431
391 2HA GLY 60 1HA GLY 60 7.075 -3.974 -3.974
392 H VAL 61 H VAL 61 8.352 -3.216 -3.216
393 HA VAL 61 HA VAL 61 8.614 -4.902 -4.902
394 HB VAL 61 HB VAL 61 9.424 -2.007 -2.007
395 H VAL 62 H VAL 62 7.961 -3.926 -3.926
396 HA VAL 62 HA VAL 62 5.444 -2.377 -2.377
397 HB VAL 62 HB VAL 62 6.030 -4.628 -4.628
398 H TRP 63 H TRP 63 6.364 -0.456 -0.456
399 HA TRP 63 HA TRP 63 8.388 0.060 0.060
400 1HB TRP 63 2HB TRP 63 6.046 1.779 1.779
401 2HB TRP 63 1HB TRP 63 7.434 2.355 2.355
402 HD1 TRP 63 HD TRP 63 6.243 1.696 1.696
403 HE1 TRP 63 1HE TRP 63 8.118 2.246 2.246
404 HE3 TRP 63 3HE TRP 63 10.259 2.058 2.058
405 HZ2 TRP 63 2HZ TRP 63 10.904 2.765 2.765
406 HZ3 TRP 63 3HZ TRP 63 12.497 2.584 2.584
407 HH2 TRP 63 HH TRP 63 12.836 2.916 2.916
408 H ILE 64 H ILE 64 8.462 0.973 0.973
409 HA ILE 64 HA ILE 64 6.121 0.488 0.488
410 HB ILE 64 HB ILE 64 7.683 -1.424 -1.424
411 1HD1 ILE 64 1HD1 ILE 64 9.078 -1.650 -1.650
412 2HD1 ILE 64 3HD1 ILE 64 7.656 -1.731 -1.731
413 3HD1 ILE 64 2HD1 ILE 64 7.689 -2.625 -2.625
414 H GLY 65 H GLY 65 9.332 2.032 2.032
415 1HA GLY 65 2HA GLY 65 8.822 4.600 4.600
416 2HA GLY 65 1HA GLY 65 8.637 3.971 3.971
417 H GLY 66 H GLY 66 10.392 5.251 5.251
418 1HA GLY 66 2HA GLY 66 12.583 5.352 5.352
419 2HA GLY 66 1HA GLY 66 12.970 3.958 3.958
420 H SER 67 H SER 67 14.036 6.911 6.911
421 HA SER 67 HA SER 67 14.816 7.209 7.209
422 1HB SER 67 2HB SER 67 14.268 9.737 9.737
423 2HB SER 67 1HB SER 67 12.967 8.615 8.615
424 HG SER 67 HG SER 67 12.048 9.261 9.261
425 H ALA 68 H ALA 68 16.911 7.564 7.564
426 HA ALA 68 HA ALA 68 18.207 9.475 9.475
427 1HB ALA 68 1HB ALA 68 18.635 6.515 6.515
428 2HB ALA 68 3HB ALA 68 19.953 7.648 7.648
429 3HB ALA 68 2HB ALA 68 18.453 7.762 7.762
430 H CYS 69 H CYS 69 19.437 10.576 10.576
431 HA CYS 69 HA CYS 69 21.015 9.075 9.075
432 1HB CYS 69 2HB CYS 69 19.714 11.781 11.781
433 2HB CYS 69 1HB CYS 69 20.711 10.915 10.915
434 H LEU 70 H LEU 70 21.710 10.052 10.052
435 HA LEU 70 HA LEU 70 23.920 11.852 11.852
436 1HB LEU 70 2HB LEU 70 21.961 12.845 12.845
437 2HB LEU 70 1HB LEU 70 22.778 11.988 11.988
438 HG LEU 70 HG LEU 70 24.414 13.678 13.678
439 1HD1 LEU 70 1HD1 LEU 70 22.253 14.870 14.870
440 2HD1 LEU 70 3HD1 LEU 70 23.248 14.930 14.930
441 3HD1 LEU 70 2HD1 LEU 70 23.812 15.693 15.693
442 1HD2 LEU 70 1HD2 LEU 70 24.523 12.923 12.923
443 2HD2 LEU 70 3HD2 LEU 70 25.576 12.332 12.332
444 3HD2 LEU 70 2HD2 LEU 70 25.667 14.019 14.019
445 H GLN 71 H GLN 71 22.739 9.591 9.591
446 HA GLN 71 HA GLN 71 25.418 8.390 8.390
447 1HB GLN 71 2HB GLN 71 23.994 9.733 9.733
448 2HB GLN 71 1HB GLN 71 24.886 8.252 8.252
449 1HG GLN 71 2HG GLN 71 26.152 10.479 10.479
450 2HG GLN 71 1HG GLN 71 26.162 10.505 10.505
451 H ALA 72 H ALA 72 25.391 6.294 6.294
452 HA ALA 72 HA ALA 72 22.875 4.878 4.878
453 1HB ALA 72 1HB ALA 72 25.211 4.159 4.159
454 2HB ALA 72 3HB ALA 72 25.459 3.523 3.523
455 3HB ALA 72 2HB ALA 72 24.126 2.924 2.924
456 H GLY 73 H GLY 73 23.208 6.528 6.528
457 1HA GLY 73 2HA GLY 73 22.235 4.664 4.664
458 2HA GLY 73 1HA GLY 73 23.856 5.229 5.229
459 H ALA 74 H ALA 74 21.437 7.165 7.165
460 HA ALA 74 HA ALA 74 20.874 8.685 8.685
461 1HB ALA 74 1HB ALA 74 22.386 9.693 9.693
462 2HB ALA 74 3HB ALA 74 21.201 10.777 10.777
463 3HB ALA 74 2HB ALA 74 22.528 10.139 10.139
464 H TRP 75 H TRP 75 18.980 7.202 7.202
465 HA TRP 75 HA TRP 75 16.931 8.893 8.893
466 1HB TRP 75 2HB TRP 75 16.432 7.760 7.760
467 2HB TRP 75 1HB TRP 75 18.039 8.455 8.455
468 HD1 TRP 75 HD TRP 75 19.599 6.113 6.113
469 HE1 TRP 75 1HE TRP 75 20.043 3.925 3.925
470 HE3 TRP 75 3HE TRP 75 15.939 6.402 6.402
471 HZ2 TRP 75 2HZ TRP 75 18.993 2.500 2.500
472 HZ3 TRP 75 3HZ TRP 75 15.688 4.639 4.639
473 HH2 TRP 75 HH TRP 75 17.213 2.694 2.694
474 H THR 76 H THR 76 15.109 7.000 7.000
475 HA THR 76 HA THR 76 15.017 4.918 4.918
476 HB THR 76 HB THR 76 12.492 5.739 5.739
477 HG1 THR 76 1HG THR 76 12.583 8.061 8.061
478 H TRP 77 H TRP 77 12.693 3.833 3.833
479 HA TRP 77 HA TRP 77 12.653 2.756 2.756
480 1HB TRP 77 2HB TRP 77 11.959 1.812 1.812
481 2HB TRP 77 1HB TRP 77 10.460 1.838 1.838
482 HD1 TRP 77 HD TRP 77 12.374 -0.756 -0.756
483 HE1 TRP 77 1HE TRP 77 12.963 -2.424 -2.424
484 HE3 TRP 77 3HE TRP 77 11.478 2.167 2.167
485 HZ2 TRP 77 2HZ TRP 77 13.042 -2.505 -2.505
486 HZ3 TRP 77 3HZ TRP 77 11.816 1.277 1.277
487 HH2 TRP 77 HH TRP 77 12.597 -1.055 -1.055
488 H SER 78 H SER 78 9.878 2.182 2.182
489 HA SER 78 HA SER 78 8.947 4.452 4.452
490 1HB SER 78 2HB SER 78 6.702 3.297 3.297
491 2HB SER 78 1HB SER 78 8.014 2.321 2.321
492 HG SER 78 HG SER 78 6.843 1.148 1.148
493 H ASP 79 H ASP 79 8.132 3.248 3.248
494 HA ASP 79 HA ASP 79 7.492 5.955 5.955
495 1HB ASP 79 2HB ASP 79 5.383 4.768 4.768
496 2HB ASP 79 1HB ASP 79 5.345 3.932 3.932
497 H GLY 80 H GLY 80 9.471 3.968 3.968
498 1HA GLY 80 2HA GLY 80 10.541 3.467 3.467
499 2HA GLY 80 1HA GLY 80 9.095 3.980 3.980
500 H THR 81 H THR 81 10.969 1.423 1.423
501 HA THR 81 HA THR 81 9.117 -0.456 -0.456
502 HB THR 81 HB THR 81 8.173 -0.492 -0.492
503 HG1 THR 81 1HG THR 81 8.355 -2.654 -2.654
504 HA PRO 82 HA PRO 82 13.104 -2.279 -2.279
505 1HB PRO 82 2HB PRO 82 12.293 -4.592 -4.592
506 2HB PRO 82 1HB PRO 82 12.220 -3.005 -3.005
507 1HG PRO 82 2HG PRO 82 10.026 -4.679 -4.679
508 2HG PRO 82 1HG PRO 82 9.982 -3.388 -3.388
509 1HD PRO 82 2HD PRO 82 9.213 -3.215 -3.215
510 2HD PRO 82 1HD PRO 82 9.260 -1.899 -1.899
511 H MET 83 H MET 83 12.103 -2.775 -2.775
512 HA MET 83 HA MET 83 12.504 -4.136 -4.136
513 1HB MET 83 2HB MET 83 14.602 -4.958 -4.958
514 2HB MET 83 1HB MET 83 14.376 -5.927 -5.927
515 1HG MET 83 2HG MET 83 15.059 -4.231 -4.231
516 2HG MET 83 1HG MET 83 14.500 -2.961 -2.961
517 1HE MET 83 1HE MET 83 15.548 -1.699 -1.699
518 2HE MET 83 3HE MET 83 16.230 -2.461 -2.461
519 3HE MET 83 2HE MET 83 17.275 -1.584 -1.584
520 H ASN 84 H ASN 84 10.791 -5.356 -5.356
521 HA ASN 84 HA ASN 84 10.422 -7.879 -7.879
522 1HB ASN 84 2HB ASN 84 8.014 -7.725 -7.725
523 2HB ASN 84 1HB ASN 84 8.522 -6.436 -6.436
524 1HD2 ASN 84 1HD2 ASN 84 9.113 -4.306 -4.306
525 2HD2 ASN 84 2HD2 ASN 84 8.319 -3.885 -3.885
526 H PHE 85 H PHE 85 9.539 -9.667 -9.667
527 HA PHE 85 HA PHE 85 9.603 -11.100 -11.100
528 1HB PHE 85 2HB PHE 85 9.115 -8.454 -8.454
529 2HB PHE 85 1HB PHE 85 9.358 -9.918 -9.918
530 HD1 PHE 85 1HD PHE 85 7.543 -9.190 -9.190
531 HD2 PHE 85 2HD PHE 85 7.329 -10.737 -10.737
532 HE1 PHE 85 1HE PHE 85 5.179 -9.830 -9.830
533 HE2 PHE 85 2HE PHE 85 4.961 -11.374 -11.374
534 HZ PHE 85 HZ PHE 85 3.889 -10.922 -10.922
535 H ARG 86 H ARG 86 11.763 -11.735 -11.735
536 HA ARG 86 HA ARG 86 13.755 -10.449 -10.449
537 1HB ARG 86 2HB ARG 86 14.443 -11.997 -11.997
538 2HB ARG 86 1HB ARG 86 15.478 -10.924 -10.924
539 1HG ARG 86 2HG ARG 86 14.205 -8.984 -8.984
540 2HG ARG 86 1HG ARG 86 12.988 -9.994 -9.994
541 1HD ARG 86 2HD ARG 86 15.844 -10.266 -10.266
542 2HD ARG 86 1HD ARG 86 14.927 -8.872 -8.872
543 HE ARG 86 HE ARG 86 13.247 -10.689 -10.689
544 1HH1 ARG 86 1HH2 ARG 86 16.309 -10.126 -10.126
545 2HH1 ARG 86 2HH2 ARG 86 16.568 -11.677 -11.677
546 1HH2 ARG 86 1HH1 ARG 86 13.743 -13.105 -13.105
547 2HH2 ARG 86 2HH1 ARG 86 15.115 -13.365 -13.365
548 H SER 87 H SER 87 15.737 -12.551 -12.551
549 HA SER 87 HA SER 87 16.275 -14.747 -14.747
550 1HB SER 87 2HB SER 87 13.800 -15.374 -15.374
551 2HB SER 87 1HB SER 87 13.608 -15.156 -15.156
552 HG SER 87 HG SER 87 15.209 -16.710 -16.710
553 H TRP 88 H TRP 88 15.017 -12.284 -12.284
554 HA TRP 88 HA TRP 88 15.440 -13.226 -13.226
555 1HB TRP 88 2HB TRP 88 15.607 -10.868 -10.868
556 2HB TRP 88 1HB TRP 88 14.327 -11.084 -11.084
557 HD1 TRP 88 HD TRP 88 14.997 -10.435 -10.435
558 HE1 TRP 88 1HE TRP 88 16.567 -8.596 -8.596
559 HE3 TRP 88 3HE TRP 88 17.670 -9.487 -9.487
560 HZ2 TRP 88 2HZ TRP 88 18.681 -6.931 -6.931
561 HZ3 TRP 88 3HZ TRP 88 19.455 -7.768 -7.768
562 HH2 TRP 88 HH TRP 88 19.963 -6.490 -6.490
563 H CYS 89 H CYS 89 17.273 -11.637 -11.637
564 HA CYS 89 HA CYS 89 19.690 -13.037 -13.037
565 1HB CYS 89 2HB CYS 89 19.244 -10.291 -10.291
566 2HB CYS 89 1HB CYS 89 20.643 -11.324 -11.324
567 H SER 90 H SER 90 21.799 -11.442 -11.442
568 HA SER 90 HA SER 90 21.594 -9.930 -9.930
569 1HB SER 90 2HB SER 90 23.367 -12.240 -12.240
570 2HB SER 90 1HB SER 90 24.041 -10.925 -10.925
571 HG SER 90 HG SER 90 22.128 -11.165 -11.165
572 H THR 91 H THR 91 21.983 -7.902 -7.902
573 HA THR 91 HA THR 91 24.573 -7.232 -7.232
574 HB THR 91 HB THR 91 22.388 -6.098 -6.098
575 HG1 THR 91 1HG THR 91 21.944 -7.902 -7.902
576 H LYS 92 H LYS 92 24.961 -4.930 -4.930
577 HA LYS 92 HA LYS 92 23.152 -2.948 -2.948
578 1HB LYS 92 2HB LYS 92 23.466 -4.629 -4.629
579 2HB LYS 92 1HB LYS 92 24.625 -3.345 -3.345
580 1HG LYS 92 2HG LYS 92 22.627 -1.771 -1.771
581 2HG LYS 92 1HG LYS 92 21.645 -3.176 -3.176
582 1HD LYS 92 2HD LYS 92 21.765 -2.083 -2.083
583 2HD LYS 92 1HD LYS 92 23.126 -3.197 -3.197
584 1HE LYS 92 2HE LYS 92 23.720 -0.585 -0.585
585 2HE LYS 92 1HE LYS 92 23.345 -0.530 -0.530
586 1HZ LYS 92 3HZ LYS 92 24.987 -2.533 -2.533
587 2HZ LYS 92 2HZ LYS 92 25.564 -1.864 -1.864
588 3HZ LYS 92 1HZ LYS 92 25.577 -0.944 -0.944
589 HA PRO 93 HA PRO 93 27.533 -1.284 -1.284
590 1HB PRO 93 2HB PRO 93 29.630 -3.004 -3.004
591 2HB PRO 93 1HB PRO 93 28.610 -2.435 -2.435
592 1HG PRO 93 2HG PRO 93 28.723 -5.097 -5.097
593 2HG PRO 93 1HG PRO 93 28.133 -4.633 -4.633
594 1HD PRO 93 2HD PRO 93 26.568 -5.202 -5.202
595 2HD PRO 93 1HD PRO 93 25.985 -4.644 -4.644
596 H ASP 94 H ASP 94 26.598 -1.560 -1.560
597 HA ASP 94 HA ASP 94 28.925 -1.606 -1.606
598 1HB ASP 94 2HB ASP 94 27.088 -3.951 -3.951
599 2HB ASP 94 1HB ASP 94 27.646 -3.378 -3.378
600 H ASP 95 H ASP 95 26.743 0.188 0.188
601 HA ASP 95 HA ASP 95 26.012 1.009 1.009
602 1HB ASP 95 2HB ASP 95 23.940 0.075 0.075
603 2HB ASP 95 1HB ASP 95 23.552 1.205 1.205
604 H VAL 96 H VAL 96 24.485 1.691 1.691
605 HA VAL 96 HA VAL 96 24.317 3.613 3.613
606 HB VAL 96 HB VAL 96 26.965 4.274 4.274
607 H LEU 97 H LEU 97 25.995 5.167 5.167
608 HA LEU 97 HA LEU 97 23.845 7.070 7.070
609 1HB LEU 97 2HB LEU 97 26.518 7.213 7.213
610 2HB LEU 97 1HB LEU 97 25.918 6.911 6.911
611 HG LEU 97 HG LEU 97 26.033 9.325 9.325
612 1HD1 LEU 97 1HD1 LEU 97 24.033 8.126 8.126
613 2HD1 LEU 97 3HD1 LEU 97 23.098 8.720 8.720
614 3HD1 LEU 97 2HD1 LEU 97 23.958 9.856 9.856
615 1HD2 LEU 97 3HD2 LEU 97 25.616 8.920 8.920
616 2HD2 LEU 97 2HD2 LEU 97 24.972 10.388 10.388
617 3HD2 LEU 97 1HD2 LEU 97 23.908 9.016 9.016
618 H ALA 98 H ALA 98 24.891 4.130 4.130
619 HA ALA 98 HA ALA 98 23.456 4.442 4.442
620 1HB ALA 98 3HB ALA 98 25.336 2.771 2.771
621 2HB ALA 98 2HB ALA 98 24.066 1.784 1.784
622 3HB ALA 98 1HB ALA 98 23.994 2.196 2.196
623 H ALA 99 H ALA 99 22.328 3.941 3.941
624 HA ALA 99 HA ALA 99 19.699 3.162 3.162
625 1HB ALA 99 3HB ALA 99 21.173 1.280 1.280
626 2HB ALA 99 2HB ALA 99 20.475 2.039 2.039
627 3HB ALA 99 1HB ALA 99 19.421 1.368 1.368
628 H CYS 100 H CYS 100 18.082 4.349 4.349
629 HA CYS 100 HA CYS 100 18.570 5.962 5.962
630 1HB CYS 100 2HB CYS 100 17.520 6.779 6.779
631 2HB CYS 100 1HB CYS 100 16.915 7.594 7.594
632 H CYS 101 H CYS 101 16.049 4.807 4.807
633 HA CYS 101 HA CYS 101 14.141 4.775 4.775
634 1HB CYS 101 2HB CYS 101 13.747 4.373 4.373
635 2HB CYS 101 1HB CYS 101 12.447 4.282 4.282
636 H MET 102 H MET 102 14.948 3.022 3.022
637 HA MET 102 HA MET 102 15.667 0.517 0.517
638 1HB MET 102 2HB MET 102 15.672 1.554 1.554
639 2HB MET 102 1HB MET 102 14.205 0.583 0.583
640 1HG MET 102 2HG MET 102 16.811 -0.535 -0.535
641 2HG MET 102 1HG MET 102 16.372 -0.601 -0.601
642 1HE MET 102 1HE MET 102 17.032 -3.180 -3.180
643 2HE MET 102 3HE MET 102 16.117 -3.018 -3.018
644 3HE MET 102 2HE MET 102 15.644 -4.221 -4.221
645 H GLN 103 H GLN 103 14.531 -1.029 -1.029
646 HA GLN 103 HA GLN 103 11.638 -1.173 -1.173
647 1HB GLN 103 2HB GLN 103 12.554 -0.097 -0.097
648 2HB GLN 103 1HB GLN 103 12.431 -1.785 -1.785
649 1HG GLN 103 2HG GLN 103 10.282 0.069 0.069
650 2HG GLN 103 1HG GLN 103 10.267 -0.955 -0.955
651 H MET 104 H MET 104 11.561 -3.371 -3.371
652 HA MET 104 HA MET 104 13.027 -5.452 -5.452
653 1HB MET 104 2HB MET 104 10.199 -5.768 -5.768
654 2HB MET 104 1HB MET 104 11.138 -6.939 -6.939
655 1HG MET 104 2HG MET 104 11.064 -5.614 -5.614
656 2HG MET 104 1HG MET 104 10.567 -4.176 -4.176
657 1HE MET 104 1HE MET 104 9.270 -3.902 -3.902
658 2HE MET 104 3HE MET 104 7.523 -4.066 -4.066
659 3HE MET 104 2HE MET 104 8.394 -5.199 -5.199
660 H THR 105 H THR 105 13.301 -3.961 -3.961
661 HA THR 105 HA THR 105 13.512 -4.396 -4.396
662 HB THR 105 HB THR 105 15.695 -4.832 -4.832
663 HG1 THR 105 1HG THR 105 15.053 -6.906 -6.906
664 H ALA 106 H ALA 106 11.098 -5.409 -5.409
665 HA ALA 106 HA ALA 106 9.562 -6.731 -6.731
666 1HB ALA 106 3HB ALA 106 11.365 -7.046 -7.046
667 2HB ALA 106 2HB ALA 106 11.770 -8.549 -8.549
668 3HB ALA 106 1HB ALA 106 10.159 -8.325 -8.325
669 H ALA 107 H ALA 107 12.246 -8.723 -8.723
670 HA ALA 107 HA ALA 107 12.235 -10.263 -10.263
671 1HB ALA 107 1HB ALA 107 10.316 -8.649 -8.649
672 2HB ALA 107 3HB ALA 107 9.311 -10.040 -10.040
673 3HB ALA 107 2HB ALA 107 10.635 -10.219 -10.219
674 H ALA 108 H ALA 108 10.650 -12.253 -12.253
675 HA ALA 108 HA ALA 108 9.695 -14.252 -14.252
676 1HB ALA 108 3HB ALA 108 8.267 -12.637 -12.637
677 2HB ALA 108 2HB ALA 108 9.236 -13.375 -13.375
678 3HB ALA 108 1HB ALA 108 8.228 -14.384 -14.384
679 H ASP 109 H ASP 109 11.443 -12.848 -12.848
680 HA ASP 109 HA ASP 109 13.220 -15.187 -15.187
681 1HB ASP 109 2HB ASP 109 12.179 -13.734 -13.734
682 2HB ASP 109 1HB ASP 109 13.357 -15.047 -15.047
683 H GLN 110 H GLN 110 12.972 -12.034 -12.034
684 HA GLN 110 HA GLN 110 15.697 -11.490 -11.490
685 1HB GLN 110 2HB GLN 110 13.299 -9.775 -9.775
686 2HB GLN 110 1HB GLN 110 14.862 -9.015 -9.015
687 1HG GLN 110 2HG GLN 110 15.024 -9.207 -9.207
688 2HG GLN 110 1HG GLN 110 15.621 -10.810 -10.810
689 H CYS 111 H CYS 111 13.767 -12.049 -12.049
690 HA CYS 111 HA CYS 111 13.607 -11.355 -11.355
691 1HB CYS 111 2HB CYS 111 15.685 -11.503 -11.503
692 2HB CYS 111 1HB CYS 111 15.724 -12.659 -12.659
693 H TRP 112 H TRP 112 15.119 -9.665 -9.665
694 HA TRP 112 HA TRP 112 14.076 -7.091 -7.091
695 1HB TRP 112 2HB TRP 112 15.271 -8.109 -8.109
696 2HB TRP 112 1HB TRP 112 14.943 -6.398 -6.398
697 HD1 TRP 112 HD TRP 112 12.710 -9.309 -9.309
698 HE1 TRP 112 1HE TRP 112 10.398 -9.059 -9.059
699 HE3 TRP 112 3HE TRP 112 13.640 -5.354 -5.354
700 HZ2 TRP 112 2HZ TRP 112 9.112 -7.402 -7.402
701 HZ3 TRP 112 3HZ TRP 112 11.855 -4.464 -4.464
702 HH2 TRP 112 HH TRP 112 9.595 -5.481 -5.481
703 H ASP 113 H ASP 113 15.368 -5.123 -5.123
704 HA ASP 113 HA ASP 113 18.164 -5.070 -5.070
705 1HB ASP 113 2HB ASP 113 17.659 -6.388 -6.388
706 2HB ASP 113 1HB ASP 113 17.544 -4.740 -4.740
707 H ASP 114 H ASP 114 18.898 -2.985 -2.985
708 HA ASP 114 HA ASP 114 17.014 -0.880 -0.880
709 1HB ASP 114 2HB ASP 114 19.992 -0.606 -0.606
710 2HB ASP 114 1HB ASP 114 18.908 0.601 0.601
711 H LEU 115 H LEU 115 16.385 0.669 0.669
712 HA LEU 115 HA LEU 115 17.352 0.285 0.285
713 1HB LEU 115 2HB LEU 115 14.635 0.606 0.606
714 2HB LEU 115 1HB LEU 115 14.964 1.607 1.607
715 HG LEU 115 HG LEU 115 15.869 -0.502 -0.502
716 1HD1 LEU 115 2HD1 LEU 115 15.847 -1.601 -1.601
717 2HD1 LEU 115 1HD1 LEU 115 14.218 -2.063 -2.063
718 3HD1 LEU 115 3HD1 LEU 115 15.610 -2.574 -2.574
719 1HD2 LEU 115 3HD2 LEU 115 13.406 0.575 0.575
720 2HD2 LEU 115 2HD2 LEU 115 13.785 -0.904 -0.904
721 3HD2 LEU 115 1HD2 LEU 115 13.005 -0.994 -0.994
722 HA PRO 116 HA PRO 116 18.675 4.493 4.493
723 1HB PRO 116 2HB PRO 116 18.637 5.137 5.137
724 2HB PRO 116 1HB PRO 116 19.885 4.135 4.135
725 1HG PRO 116 2HG PRO 116 17.608 3.325 3.325
726 2HG PRO 116 1HG PRO 116 19.205 2.586 2.586
727 1HD PRO 116 2HD PRO 116 16.841 1.633 1.633
728 2HD PRO 116 1HD PRO 116 18.488 1.197 1.197
729 H CYS 117 H CYS 117 15.598 3.582 3.582
730 HA CYS 117 HA CYS 117 13.628 4.683 4.683
731 1HB CYS 117 2HB CYS 117 15.162 6.786 6.786
732 2HB CYS 117 1HB CYS 117 14.442 7.410 7.410
733 HA PRO 118 HA PRO 118 13.038 6.110 6.110
734 1HB PRO 118 2HB PRO 118 15.148 6.029 6.029
735 2HB PRO 118 1HB PRO 118 14.707 7.453 7.453
736 1HG PRO 118 2HG PRO 118 16.971 5.589 5.589
737 2HG PRO 118 1HG PRO 118 16.809 7.275 7.275
738 1HD PRO 118 2HD PRO 118 16.528 4.965 4.965
739 2HD PRO 118 1HD PRO 118 16.160 6.643 6.643
740 H ALA 119 H ALA 119 12.212 3.885 3.885
741 HA ALA 119 HA ALA 119 12.964 2.019 2.019
742 1HB ALA 119 3HB ALA 119 13.990 1.396 1.396
743 2HB ALA 119 2HB ALA 119 12.332 0.970 0.970
744 3HB ALA 119 1HB ALA 119 13.142 0.153 0.153
745 H SER 120 H SER 120 11.020 3.808 3.808
746 HA SER 120 HA SER 120 8.585 3.700 3.700
747 1HB SER 120 2HB SER 120 7.642 4.293 4.293
748 2HB SER 120 1HB SER 120 9.185 5.103 5.103
749 HG SER 120 HG SER 120 8.703 3.898 3.898
750 H HIS 121 H HIS 121 8.030 1.683 1.683
751 HA HIS 121 HA HIS 121 7.022 -0.220 -0.220
752 1HB HIS 121 2HB HIS 121 8.290 -0.635 -0.635
753 2HB HIS 121 1HB HIS 121 7.182 -1.833 -1.833
754 HD1 HIS 121 1HD HIS 121 10.654 -1.167 -1.167
755 HD2 HIS 121 2HD HIS 121 8.061 -2.329 -2.329
756 HE1 HIS 121 1HE HIS 121 12.096 -2.173 -2.173
757 H LYS 122 H LYS 122 5.331 -1.711 -1.711
758 HA LYS 122 HA LYS 122 2.948 -0.384 -0.384
759 1HB LYS 122 2HB LYS 122 3.258 -2.867 -2.867
760 2HB LYS 122 1HB LYS 122 3.711 -2.768 -2.768
761 1HG LYS 122 2HG LYS 122 1.190 -1.386 -1.386
762 2HG LYS 122 1HG LYS 122 1.150 -3.140 -3.140
763 1HD LYS 122 2HD LYS 122 2.079 -1.686 -1.686
764 2HD LYS 122 1HD LYS 122 0.482 -2.402 -2.402
765 1HE LYS 122 2HE LYS 122 1.821 -4.574 -4.574
766 2HE LYS 122 1HE LYS 122 3.148 -3.771 -3.771
767 1HZ LYS 122 2HZ LYS 122 0.509 -3.863 -3.863
768 2HZ LYS 122 1HZ LYS 122 1.476 -5.260 -5.260
769 3HZ LYS 122 3HZ LYS 122 2.053 -3.822 -3.822
770 H SER 123 H SER 123 1.653 0.419 0.419
771 HA SER 123 HA SER 123 3.247 1.373 1.373
772 1HB SER 123 2HB SER 123 1.903 2.933 2.933
773 2HB SER 123 1HB SER 123 0.546 2.483 2.483
774 HG SER 123 HG SER 123 1.336 4.082 4.082
775 H VAL 124 H VAL 124 2.406 1.274 1.274
776 HA VAL 124 HA VAL 124 0.111 -0.561 -0.561
777 HB VAL 124 HB VAL 124 2.239 -1.734 -1.734
778 H CYS 125 H CYS 125 -1.469 0.312 0.312
779 HA CYS 125 HA CYS 125 -0.789 2.340 2.340
780 1HB CYS 125 2HB CYS 125 -2.887 2.485 2.485
781 2HB CYS 125 1HB CYS 125 -3.065 3.387 3.387
782 H ALA 126 H ALA 126 -1.742 2.057 2.057
783 HA ALA 126 HA ALA 126 -3.998 0.152 0.152
784 1HB ALA 126 3HB ALA 126 -1.562 0.244 0.244
785 2HB ALA 126 2HB ALA 126 -2.999 -0.736 -0.736
786 3HB ALA 126 1HB ALA 126 -1.988 -1.052 -1.052
787 H MET 127 H MET 127 -5.238 0.367 0.367
788 HA MET 127 HA MET 127 -4.943 2.888 2.888
789 1HB MET 127 2HB MET 127 -7.207 2.235 2.235
790 2HB MET 127 1HB MET 127 -7.522 3.181 3.181
791 1HG MET 127 2HG MET 127 -5.326 3.896 3.896
792 2HG MET 127 1HG MET 127 -6.966 4.524 4.524
793 1HE MET 127 3HE MET 127 -8.039 5.937 5.937
794 2HE MET 127 2HE MET 127 -8.058 5.684 5.684
795 3HE MET 127 1HE MET 127 -7.433 7.194 7.194
796 H THR 128 H THR 128 -6.257 2.961 2.961
797 HA THR 128 HA THR 128 -7.653 0.502 0.502
798 HB THR 128 HB THR 128 -5.379 -0.003 -0.003
799 HG1 THR 128 1HG THR 128 -6.544 -0.762 -0.762
800 H PHE 129 H PHE 129 -8.476 0.779 0.779
801 HA PHE 129 HA PHE 129 -9.373 3.580 3.580
802 1HB PHE 129 2HB PHE 129 -11.456 2.610 2.610
803 2HB PHE 129 1HB PHE 129 -11.256 2.239 2.239
804 HD1 PHE 129 1HD PHE 129 -11.102 0.884 0.884
805 HD2 PHE 129 2HD PHE 129 -10.741 -0.015 -0.015
806 HE1 PHE 129 1HE PHE 129 -11.189 -1.541 -1.541
807 HE2 PHE 129 2HE PHE 129 -10.828 -2.440 -2.440
808 HZ PHE 129 HZ PHE 129 -11.052 -3.203 -3.203
Start of MODEL 4
1 1H GLN 1 1HT GLN 1 -18.127 11.261 11.261
2 2H GLN 1 3HT GLN 1 -17.274 12.716 12.716
3 3H GLN 1 2HT GLN 1 -18.447 12.271 12.271
4 HA GLN 1 HA GLN 1 -20.214 12.697 12.697
5 1HB GLN 1 2HB GLN 1 -18.918 14.733 14.733
6 2HB GLN 1 1HB GLN 1 -18.141 14.759 14.759
7 1HG GLN 1 2HG GLN 1 -19.936 16.177 16.177
8 2HG GLN 1 1HG GLN 1 -20.642 14.631 14.631
9 H ARG 2 H ARG 2 -17.272 13.294 13.294
10 HA ARG 2 HA ARG 2 -18.676 12.121 12.121
11 1HB ARG 2 2HB ARG 2 -16.722 14.377 14.377
12 2HB ARG 2 1HB ARG 2 -16.762 13.439 13.439
13 1HG ARG 2 2HG ARG 2 -19.323 13.813 13.813
14 2HG ARG 2 1HG ARG 2 -18.965 15.083 15.083
15 1HD ARG 2 2HD ARG 2 -17.162 15.742 15.742
16 2HD ARG 2 1HD ARG 2 -18.342 14.955 14.955
17 HE ARG 2 HE ARG 2 -19.914 16.625 16.625
18 1HH1 ARG 2 1HH1 ARG 2 -18.091 16.992 16.992
19 2HH1 ARG 2 2HH1 ARG 2 -17.806 18.693 18.693
20 1HH2 ARG 2 1HH2 ARG 2 -19.006 18.884 18.884
21 2HH2 ARG 2 2HH2 ARG 2 -18.323 19.765 19.765
22 H ALA 3 H ALA 3 -17.244 10.623 10.623
23 HA ALA 3 HA ALA 3 -14.803 9.764 9.764
24 1HB ALA 3 2HB ALA 3 -15.889 9.129 9.129
25 2HB ALA 3 1HB ALA 3 -14.449 8.374 8.374
26 3HB ALA 3 3HB ALA 3 -14.480 10.113 10.113
27 H GLY 4 H GLY 4 -15.088 8.254 8.254
28 1HA GLY 4 2HA GLY 4 -15.747 5.671 5.671
29 2HA GLY 4 1HA GLY 4 -17.340 6.408 6.408
30 HA PRO 5 HA PRO 5 -15.093 6.957 6.957
31 1HB PRO 5 2HB PRO 5 -12.967 5.307 5.307
32 2HB PRO 5 1HB PRO 5 -12.821 6.917 6.917
33 1HG PRO 5 2HG PRO 5 -12.564 4.263 4.263
34 2HG PRO 5 1HG PRO 5 -11.878 5.819 5.819
35 1HD PRO 5 2HD PRO 5 -14.162 4.539 4.539
36 2HD PRO 5 1HD PRO 5 -13.594 6.191 6.191
37 H ASN 6 H ASN 6 -16.095 6.027 6.027
38 HA ASN 6 HA ASN 6 -16.897 3.201 3.201
39 1HB ASN 6 2HB ASN 6 -18.000 5.539 5.539
40 2HB ASN 6 1HB ASN 6 -18.443 3.879 3.879
41 1HD2 ASN 6 1HD2 ASN 6 -20.673 4.268 4.268
42 2HD2 ASN 6 2HD2 ASN 6 -21.033 4.366 4.366
43 H CYS 7 H CYS 7 -16.137 1.690 1.690
44 HA CYS 7 HA CYS 7 -14.855 2.510 2.510
45 1HB CYS 7 2HB CYS 7 -13.242 2.064 2.064
46 2HB CYS 7 1HB CYS 7 -13.494 0.386 0.386
47 HA PRO 8 HA PRO 8 -17.459 -1.347 -1.347
48 1HB PRO 8 2HB PRO 8 -19.446 -0.341 -0.341
49 2HB PRO 8 1HB PRO 8 -19.487 -0.304 -0.304
50 1HG PRO 8 2HG PRO 8 -19.028 1.904 1.904
51 2HG PRO 8 1HG PRO 8 -19.641 1.958 1.958
52 1HD PRO 8 2HD PRO 8 -16.998 2.584 2.584
53 2HD PRO 8 1HD PRO 8 -17.567 2.443 2.443
54 H ALA 9 H ALA 9 -15.492 -1.871 -1.871
55 HA ALA 9 HA ALA 9 -14.475 -2.590 -2.590
56 1HB ALA 9 1HB ALA 9 -16.704 -3.649 -3.649
57 2HB ALA 9 3HB ALA 9 -17.201 -2.203 -2.203
58 3HB ALA 9 2HB ALA 9 -15.885 -3.201 -3.201
59 H GLY 10 H GLY 10 -14.505 0.231 0.231
60 1HA GLY 10 2HA GLY 10 -14.808 1.715 1.715
61 2HA GLY 10 1HA GLY 10 -14.193 2.337 2.337
62 H TRP 11 H TRP 11 -12.218 0.159 0.159
63 HA TRP 11 HA TRP 11 -10.219 1.288 1.288
64 1HB TRP 11 2HB TRP 11 -10.128 0.055 0.055
65 2HB TRP 11 1HB TRP 11 -8.737 -0.224 -0.224
66 HD1 TRP 11 HD TRP 11 -10.946 2.924 2.924
67 HE1 TRP 11 1HE TRP 11 -9.397 4.928 4.928
68 HE3 TRP 11 3HE TRP 11 -6.430 0.540 0.540
69 HZ2 TRP 11 2HZ TRP 11 -6.614 5.452 5.452
70 HZ3 TRP 11 3HZ TRP 11 -4.348 1.816 1.816
71 HH2 TRP 11 HH TRP 11 -4.433 4.266 4.266
72 H GLN 12 H GLN 12 -11.117 -1.905 -1.905
73 HA GLN 12 HA GLN 12 -10.509 -3.055 -3.055
74 1HB GLN 12 2HB GLN 12 -8.982 -3.510 -3.510
75 2HB GLN 12 1HB GLN 12 -9.831 -5.002 -5.002
76 1HG GLN 12 2HG GLN 12 -8.987 -4.318 -4.318
77 2HG GLN 12 1HG GLN 12 -7.707 -3.568 -3.568
78 HA PRO 13 HA PRO 13 -14.209 -5.367 -5.367
79 1HB PRO 13 2HB PRO 13 -13.651 -7.898 -7.898
80 2HB PRO 13 1HB PRO 13 -13.834 -6.501 -6.501
81 1HG PRO 13 2HG PRO 13 -11.379 -7.941 -7.941
82 2HG PRO 13 1HG PRO 13 -11.703 -6.990 -6.990
83 1HD PRO 13 2HD PRO 13 -10.231 -6.149 -6.149
84 2HD PRO 13 1HD PRO 13 -10.759 -5.128 -5.128
85 H LEU 14 H LEU 14 -11.546 -6.281 -6.281
86 HA LEU 14 HA LEU 14 -12.489 -8.585 -8.585
87 1HB LEU 14 2HB LEU 14 -10.630 -6.364 -6.364
88 2HB LEU 14 1HB LEU 14 -11.026 -7.706 -7.706
89 HG LEU 14 HG LEU 14 -10.136 -8.288 -8.288
90 1HD1 LEU 14 1HD1 LEU 14 -8.494 -6.675 -6.675
91 2HD1 LEU 14 3HD1 LEU 14 -8.258 -7.811 -7.811
92 3HD1 LEU 14 2HD1 LEU 14 -7.808 -8.270 -8.270
93 1HD2 LEU 14 2HD2 LEU 14 -10.256 -9.666 -9.666
94 2HD2 LEU 14 1HD2 LEU 14 -10.755 -10.256 -10.256
95 3HD2 LEU 14 3HD2 LEU 14 -9.043 -10.187 -10.187
96 H GLY 15 H GLY 15 -13.641 -8.860 -8.860
97 1HA GLY 15 2HA GLY 15 -15.262 -6.516 -6.516
98 2HA GLY 15 1HA GLY 15 -15.856 -8.175 -8.175
99 H ASP 16 H ASP 16 -13.080 -6.361 -6.361
100 HA ASP 16 HA ASP 16 -13.690 -7.012 -7.012
101 1HB ASP 16 2HB ASP 16 -12.326 -8.986 -8.986
102 2HB ASP 16 1HB ASP 16 -10.970 -7.916 -7.916
103 H ARG 17 H ARG 17 -11.310 -5.865 -5.865
104 HA ARG 17 HA ARG 17 -10.851 -3.472 -3.472
105 1HB ARG 17 2HB ARG 17 -8.595 -5.012 -5.012
106 2HB ARG 17 1HB ARG 17 -8.453 -3.611 -3.611
107 1HG ARG 17 2HG ARG 17 -9.483 -4.957 -4.957
108 2HG ARG 17 1HG ARG 17 -9.466 -6.362 -6.362
109 1HD ARG 17 2HD ARG 17 -6.907 -5.654 -5.654
110 2HD ARG 17 1HD ARG 17 -7.189 -4.950 -4.950
111 HE ARG 17 HE ARG 17 -7.499 -7.126 -7.126
112 1HH1 ARG 17 1HH2 ARG 17 -5.536 -7.240 -7.240
113 2HH1 ARG 17 2HH2 ARG 17 -5.885 -8.867 -8.867
114 1HH2 ARG 17 1HH1 ARG 17 -8.606 -9.190 -9.190
115 2HH2 ARG 17 2HH1 ARG 17 -7.624 -9.971 -9.971
116 H CYS 18 H CYS 18 -8.881 -2.374 -2.374
117 HA CYS 18 HA CYS 18 -10.167 -2.288 -2.288
118 1HB CYS 18 2HB CYS 18 -9.904 -0.065 -0.065
119 2HB CYS 18 1HB CYS 18 -9.489 0.317 0.317
120 H ILE 19 H ILE 19 -8.697 -2.270 -2.270
121 HA ILE 19 HA ILE 19 -5.985 -1.336 -1.336
122 HB ILE 19 HB ILE 19 -5.884 -3.660 -3.660
123 1HD1 ILE 19 2HD1 ILE 19 -4.126 -5.082 -5.082
124 2HD1 ILE 19 1HD1 ILE 19 -4.182 -5.587 -5.587
125 3HD1 ILE 19 3HD1 ILE 19 -2.791 -4.690 -4.690
126 H TYR 20 H TYR 20 -4.657 -1.292 -1.292
127 HA TYR 20 HA TYR 20 -6.245 -1.273 -1.273
128 1HB TYR 20 2HB TYR 20 -4.732 0.951 0.951
129 2HB TYR 20 1HB TYR 20 -4.497 0.747 0.747
130 HD1 TYR 20 2HD TYR 20 -7.164 -0.188 -0.188
131 HD2 TYR 20 1HD TYR 20 -6.115 2.815 2.815
132 HE1 TYR 20 2HE TYR 20 -9.303 0.985 0.985
133 HE2 TYR 20 1HE TYR 20 -8.256 3.981 3.981
134 HH TYR 20 HH TYR 20 -10.086 3.543 3.543
135 H TYR 21 H TYR 21 -4.561 -0.833 -0.833
136 HA TYR 21 HA TYR 21 -1.943 -1.937 -1.937
137 1HB TYR 21 2HB TYR 21 -3.871 -3.876 -3.876
138 2HB TYR 21 1HB TYR 21 -3.445 -3.689 -3.689
139 HD1 TYR 21 1HD TYR 21 -1.990 -4.237 -4.237
140 HD2 TYR 21 2HD TYR 21 -1.424 -4.580 -4.580
141 HE1 TYR 21 1HE TYR 21 0.094 -5.525 -5.525
142 HE2 TYR 21 2HE TYR 21 0.661 -5.869 -5.869
143 HH TYR 21 HH TYR 21 2.408 -5.879 -5.879
144 H GLU 22 H GLU 22 -0.742 -2.015 -2.015
145 HA GLU 22 HA GLU 22 -2.055 -0.636 -0.636
146 1HB GLU 22 2HB GLU 22 0.455 0.263 0.263
147 2HB GLU 22 1HB GLU 22 0.056 0.767 0.767
148 1HG GLU 22 2HG GLU 22 -2.033 1.046 1.046
149 2HG GLU 22 1HG GLU 22 -0.717 2.220 2.220
150 H THR 23 H THR 23 -0.635 -0.628 -0.628
151 HA THR 23 HA THR 23 1.255 -2.882 -2.882
152 HB THR 23 HB THR 23 0.188 -3.626 -3.626
153 HG1 THR 23 1HG THR 23 -1.387 -2.474 -2.474
154 H THR 24 H THR 24 1.517 0.038 0.038
155 HA THR 24 HA THR 24 2.844 0.269 0.269
156 HB THR 24 HB THR 24 0.897 1.691 1.691
157 HG1 THR 24 1HG THR 24 3.072 3.338 3.338
158 H ALA 25 H ALA 25 4.824 1.377 1.377
159 HA ALA 25 HA ALA 25 6.330 1.126 1.126
160 1HB ALA 25 2HB ALA 25 6.968 1.509 1.509
161 2HB ALA 25 1HB ALA 25 7.376 3.077 3.077
162 3HB ALA 25 3HB ALA 25 8.109 1.608 1.608
163 H MET 26 H MET 26 5.290 2.202 2.202
164 HA MET 26 HA MET 26 5.758 5.108 5.108
165 1HB MET 26 2HB MET 26 3.697 5.296 5.296
166 2HB MET 26 1HB MET 26 3.424 5.135 5.135
167 1HG MET 26 2HG MET 26 2.665 2.935 2.935
168 2HG MET 26 1HG MET 26 3.515 2.667 2.667
169 1HE MET 26 3HE MET 26 0.588 4.410 4.410
170 2HE MET 26 2HE MET 26 -0.190 5.340 5.340
171 3HE MET 26 1HE MET 26 1.439 5.764 5.764
172 H THR 27 H THR 27 7.440 5.063 5.063
173 HA THR 27 HA THR 27 7.739 3.330 3.330
174 HB THR 27 HB THR 27 9.352 5.031 5.031
175 HG1 THR 27 1HG THR 27 9.916 2.971 2.971
176 H TRP 28 H TRP 28 8.579 4.423 4.423
177 HA TRP 28 HA TRP 28 6.811 5.194 5.194
178 1HB TRP 28 2HB TRP 28 9.592 5.408 5.408
179 2HB TRP 28 1HB TRP 28 9.079 6.989 6.989
180 HD1 TRP 28 HD TRP 28 9.624 3.463 3.463
181 HE1 TRP 28 1HE TRP 28 9.163 3.123 3.123
182 HE3 TRP 28 3HE TRP 28 7.465 7.940 7.940
183 HZ2 TRP 28 2HZ TRP 28 8.022 4.593 4.593
184 HZ3 TRP 28 3HZ TRP 28 6.701 8.457 8.457
185 HH2 TRP 28 HH TRP 28 6.976 6.791 6.791
186 H ALA 29 H ALA 29 8.538 7.652 7.652
187 HA ALA 29 HA ALA 29 7.188 9.911 9.911
188 1HB ALA 29 3HB ALA 29 8.430 9.357 9.357
189 2HB ALA 29 2HB ALA 29 7.873 10.947 10.947
190 3HB ALA 29 1HB ALA 29 9.189 10.149 10.149
191 H LEU 30 H LEU 30 6.449 7.870 7.870
192 HA LEU 30 HA LEU 30 4.104 9.390 9.390
193 1HB LEU 30 2HB LEU 30 5.224 6.748 6.748
194 2HB LEU 30 1HB LEU 30 3.625 7.287 7.287
195 HG LEU 30 HG LEU 30 6.147 8.937 8.937
196 1HD1 LEU 30 2HD1 LEU 30 4.773 6.971 6.971
197 2HD1 LEU 30 1HD1 LEU 30 5.639 8.347 8.347
198 3HD1 LEU 30 3HD1 LEU 30 6.496 7.171 7.171
199 1HD2 LEU 30 3HD2 LEU 30 3.248 9.292 9.292
200 2HD2 LEU 30 2HD2 LEU 30 4.444 10.491 10.491
201 3HD2 LEU 30 1HD2 LEU 30 4.411 9.915 9.915
202 H ALA 31 H ALA 31 4.735 6.409 6.409
203 HA ALA 31 HA ALA 31 2.018 5.632 5.632
204 1HB ALA 31 3HB ALA 31 4.336 4.372 4.372
205 2HB ALA 31 2HB ALA 31 3.989 4.919 4.919
206 3HB ALA 31 1HB ALA 31 2.830 3.900 3.900
207 H GLU 32 H GLU 32 4.263 6.916 6.916
208 HA GLU 32 HA GLU 32 2.521 7.397 7.397
209 1HB GLU 32 2HB GLU 32 5.045 7.746 7.746
210 2HB GLU 32 1HB GLU 32 4.708 9.348 9.348
211 1HG GLU 32 2HG GLU 32 3.016 9.442 9.442
212 2HG GLU 32 1HG GLU 32 4.144 8.262 8.262
213 H THR 33 H THR 33 3.120 9.512 9.512
214 HA THR 33 HA THR 33 1.661 11.746 11.746
215 HB THR 33 HB THR 33 2.077 10.755 10.755
216 HG1 THR 33 1HG THR 33 3.476 12.561 12.561
217 H ASN 34 H ASN 34 0.566 9.320 9.320
218 HA ASN 34 HA ASN 34 -2.149 10.084 10.084
219 1HB ASN 34 2HB ASN 34 -0.800 8.497 8.497
220 2HB ASN 34 1HB ASN 34 -1.448 7.246 7.246
221 1HD2 ASN 34 1HD2 ASN 34 -2.229 9.413 9.413
222 2HD2 ASN 34 2HD2 ASN 34 -3.894 9.085 9.085
223 H CYS 35 H CYS 35 -0.302 7.695 7.695
224 HA CYS 35 HA CYS 35 -2.490 6.435 6.435
225 1HB CYS 35 2HB CYS 35 0.076 5.806 5.806
226 2HB CYS 35 1HB CYS 35 0.136 6.716 6.716
227 H MET 36 H MET 36 -0.180 8.800 8.800
228 HA MET 36 HA MET 36 -1.558 9.278 9.278
229 1HB MET 36 2HB MET 36 0.827 10.045 10.045
230 2HB MET 36 1HB MET 36 -0.044 11.506 11.506
231 1HG MET 36 2HG MET 36 -0.427 10.337 10.337
232 2HG MET 36 1HG MET 36 0.969 11.358 11.358
233 1HE MET 36 2HE MET 36 -1.445 11.406 11.406
234 2HE MET 36 1HE MET 36 -0.610 12.933 12.933
235 3HE MET 36 3HE MET 36 -2.349 12.918 12.918
236 H LYS 37 H LYS 37 -1.701 11.044 11.044
237 HA LYS 37 HA LYS 37 -3.469 13.068 13.068
238 1HB LYS 37 2HB LYS 37 -2.173 12.783 12.783
239 2HB LYS 37 1HB LYS 37 -3.579 11.852 11.852
240 1HG LYS 37 2HG LYS 37 -4.073 14.063 14.063
241 2HG LYS 37 1HG LYS 37 -4.974 13.867 13.867
242 1HD LYS 37 2HD LYS 37 -2.636 14.751 14.751
243 2HD LYS 37 1HD LYS 37 -2.578 15.535 15.535
244 1HE LYS 37 2HE LYS 37 -5.159 15.679 15.679
245 2HE LYS 37 1HE LYS 37 -3.826 16.649 16.649
246 1HZ LYS 37 3HZ LYS 37 -3.558 17.324 17.324
247 2HZ LYS 37 2HZ LYS 37 -5.168 16.800 16.800
248 3HZ LYS 37 1HZ LYS 37 -4.775 18.052 18.052
249 H LEU 38 H LEU 38 -4.056 9.705 9.705
250 HA LEU 38 HA LEU 38 -6.943 10.104 10.104
251 1HB LEU 38 2HB LEU 38 -5.379 8.305 8.305
252 2HB LEU 38 1HB LEU 38 -5.759 7.381 7.381
253 HG LEU 38 HG LEU 38 -8.220 8.079 8.079
254 1HD1 LEU 38 2HD1 LEU 38 -7.392 9.706 9.706
255 2HD1 LEU 38 1HD1 LEU 38 -7.158 8.273 8.273
256 3HD1 LEU 38 3HD1 LEU 38 -8.768 8.682 8.682
257 1HD2 LEU 38 3HD2 LEU 38 -6.525 6.010 6.010
258 2HD2 LEU 38 2HD2 LEU 38 -7.929 5.812 5.812
259 3HD2 LEU 38 1HD2 LEU 38 -8.151 6.230 6.230
260 H GLY 39 H GLY 39 -4.545 8.953 8.953
261 1HA GLY 39 2HA GLY 39 -5.054 9.252 9.252
262 2HA GLY 39 1HA GLY 39 -6.685 8.686 8.686
263 H GLY 40 H GLY 40 -3.746 7.794 7.794
264 1HA GLY 40 2HA GLY 40 -4.078 5.366 5.366
265 2HA GLY 40 1HA GLY 40 -3.956 4.969 4.969
266 H HIS 41 H HIS 41 -2.015 4.068 4.068
267 HA HIS 41 HA HIS 41 0.365 5.561 5.561
268 1HB HIS 41 2HB HIS 41 1.542 4.305 4.305
269 2HB HIS 41 1HB HIS 41 0.279 5.390 5.390
270 HD1 HIS 41 1HD HIS 41 0.300 3.687 3.687
271 HD2 HIS 41 2HD HIS 41 -1.213 2.153 2.153
272 HE1 HIS 41 1HE HIS 41 -1.017 1.612 1.612
273 H LEU 42 H LEU 42 2.342 3.884 3.884
274 HA LEU 42 HA LEU 42 2.061 2.282 2.282
275 1HB LEU 42 2HB LEU 42 4.153 2.687 2.687
276 2HB LEU 42 1HB LEU 42 4.253 1.199 1.199
277 HG LEU 42 HG LEU 42 4.111 2.556 2.556
278 1HD1 LEU 42 1HD1 LEU 42 2.938 4.504 4.504
279 2HD1 LEU 42 3HD1 LEU 42 4.368 4.885 4.885
280 3HD1 LEU 42 2HD1 LEU 42 4.431 4.998 4.998
281 1HD2 LEU 42 2HD2 LEU 42 6.296 1.885 1.885
282 2HD2 LEU 42 1HD2 LEU 42 6.407 3.382 3.382
283 3HD2 LEU 42 3HD2 LEU 42 6.336 3.432 3.432
284 H ALA 43 H ALA 43 2.842 -0.130 -0.130
285 HA ALA 43 HA ALA 43 0.744 -1.627 -1.627
286 1HB ALA 43 3HB ALA 43 2.527 -2.174 -2.174
287 2HB ALA 43 2HB ALA 43 3.322 -2.995 -2.995
288 3HB ALA 43 1HB ALA 43 1.679 -3.444 -3.444
289 H SER 44 H SER 44 0.679 -1.042 -1.042
290 HA SER 44 HA SER 44 2.932 -1.954 -1.954
291 1HB SER 44 2HB SER 44 2.100 0.306 0.306
292 2HB SER 44 1HB SER 44 0.478 -0.332 -0.332
293 HG SER 44 HG SER 44 2.829 -0.892 -0.892
294 H ILE 45 H ILE 45 2.470 -4.201 -4.201
295 HA ILE 45 HA ILE 45 0.237 -5.168 -5.168
296 HB ILE 45 HB ILE 45 1.142 -6.565 -6.565
297 1HD1 ILE 45 1HD1 ILE 45 1.418 -4.475 -4.475
298 2HD1 ILE 45 3HD1 ILE 45 0.386 -5.312 -5.312
299 3HD1 ILE 45 2HD1 ILE 45 0.007 -3.659 -3.659
300 H HIS 46 H HIS 46 0.579 -7.391 -7.391
301 HA HIS 46 HA HIS 46 3.461 -7.971 -7.971
302 1HB HIS 46 2HB HIS 46 2.246 -7.159 -7.159
303 2HB HIS 46 1HB HIS 46 1.253 -8.612 -8.612
304 HD1 HIS 46 1HD HIS 46 4.971 -8.446 -8.446
305 HD2 HIS 46 2HD HIS 46 2.382 -10.041 -10.041
306 HE1 HIS 46 1HE HIS 46 6.379 -9.922 -9.922
307 H SER 47 H SER 47 0.249 -9.296 -9.296
308 HA SER 47 HA SER 47 0.851 -12.035 -12.035
309 1HB SER 47 2HB SER 47 -1.094 -10.926 -10.926
310 2HB SER 47 1HB SER 47 -1.177 -12.450 -12.450
311 HG SER 47 HG SER 47 -2.024 -11.436 -11.436
312 H GLN 48 H GLN 48 2.222 -13.232 -13.232
313 HA GLN 48 HA GLN 48 3.645 -12.323 -12.323
314 1HB GLN 48 2HB GLN 48 4.401 -14.679 -14.679
315 2HB GLN 48 1HB GLN 48 4.549 -14.077 -14.077
316 1HG GLN 48 2HG GLN 48 2.037 -15.078 -15.078
317 2HG GLN 48 1HG GLN 48 2.731 -16.154 -16.154
318 H GLU 49 H GLU 49 0.610 -14.038 -14.038
319 HA GLU 49 HA GLU 49 0.427 -15.067 -15.067
320 1HB GLU 49 2HB GLU 49 -1.160 -15.363 -15.363
321 2HB GLU 49 1HB GLU 49 -2.013 -13.999 -13.999
322 1HG GLU 49 2HG GLU 49 -1.231 -16.268 -16.268
323 2HG GLU 49 1HG GLU 49 -2.599 -16.501 -16.501
324 H GLU 50 H GLU 50 -0.130 -11.871 -11.871
325 HA GLU 50 HA GLU 50 -1.411 -10.779 -10.779
326 1HB GLU 50 2HB GLU 50 -0.108 -9.680 -9.680
327 2HB GLU 50 1HB GLU 50 -0.234 -8.603 -8.603
328 1HG GLU 50 2HG GLU 50 -2.678 -10.158 -10.158
329 2HG GLU 50 1HG GLU 50 -2.227 -8.926 -8.926
330 H HIS 51 H HIS 51 1.918 -11.350 -11.350
331 HA HIS 51 HA HIS 51 3.173 -9.776 -9.776
332 1HB HIS 51 2HB HIS 51 4.342 -10.818 -10.818
333 2HB HIS 51 1HB HIS 51 4.208 -12.373 -12.373
334 HD1 HIS 51 1HD HIS 51 6.300 -12.927 -12.927
335 HD2 HIS 51 2HD HIS 51 5.565 -8.823 -8.823
336 HE1 HIS 51 1HE HIS 51 8.190 -11.871 -11.871
337 H SER 52 H SER 52 2.003 -13.115 -13.115
338 HA SER 52 HA SER 52 2.856 -14.036 -14.036
339 1HB SER 52 2HB SER 52 0.763 -14.801 -14.801
340 2HB SER 52 1HB SER 52 0.465 -15.303 -15.303
341 HG SER 52 HG SER 52 2.018 -16.468 -16.468
342 H PHE 53 H PHE 53 0.023 -12.137 -12.137
343 HA PHE 53 HA PHE 53 -1.435 -12.194 -12.194
344 1HB PHE 53 2HB PHE 53 -1.914 -11.056 -11.056
345 2HB PHE 53 1HB PHE 53 -1.232 -9.636 -9.636
346 HD1 PHE 53 1HD PHE 53 -3.614 -12.407 -12.407
347 HD2 PHE 53 2HD PHE 53 -2.630 -8.258 -8.258
348 HE1 PHE 53 1HE PHE 53 -5.770 -11.981 -11.981
349 HE2 PHE 53 2HE PHE 53 -4.767 -7.825 -7.825
350 HZ PHE 53 HZ PHE 53 -6.374 -9.682 -9.682
351 H ILE 54 H ILE 54 1.564 -10.595 -10.595
352 HA ILE 54 HA ILE 54 1.403 -8.665 -8.665
353 HB ILE 54 HB ILE 54 3.839 -9.611 -9.611
354 1HD1 ILE 54 3HD1 ILE 54 4.530 -8.467 -8.467
355 2HD1 ILE 54 2HD1 ILE 54 4.115 -6.760 -6.760
356 3HD1 ILE 54 1HD1 ILE 54 3.369 -7.735 -7.735
357 H GLN 55 H GLN 55 3.499 -11.498 -11.498
358 HA GLN 55 HA GLN 55 4.387 -11.521 -11.521
359 1HB GLN 55 2HB GLN 55 4.833 -13.465 -13.465
360 2HB GLN 55 1HB GLN 55 5.590 -13.597 -13.597
361 1HG GLN 55 2HG GLN 55 7.235 -12.375 -12.375
362 2HG GLN 55 1HG GLN 55 6.202 -11.033 -11.033
363 H THR 56 H THR 56 2.360 -13.652 -13.652
364 HA THR 56 HA THR 56 1.834 -15.668 -15.668
365 HB THR 56 HB THR 56 -0.229 -14.528 -14.528
366 HG1 THR 56 1HG THR 56 1.774 -16.468 -16.468
367 H LEU 57 H LEU 57 0.653 -12.394 -12.394
368 HA LEU 57 HA LEU 57 -1.333 -12.987 -12.987
369 1HB LEU 57 2HB LEU 57 -0.785 -10.594 -10.594
370 2HB LEU 57 1HB LEU 57 -1.746 -10.430 -10.430
371 HG LEU 57 HG LEU 57 -3.184 -10.825 -10.825
372 1HD1 LEU 57 2HD1 LEU 57 -3.432 -11.976 -11.976
373 2HD1 LEU 57 1HD1 LEU 57 -3.383 -13.425 -13.425
374 3HD1 LEU 57 3HD1 LEU 57 -4.617 -12.198 -12.198
375 1HD2 LEU 57 2HD2 LEU 57 -1.277 -12.313 -12.313
376 2HD2 LEU 57 1HD2 LEU 57 -2.967 -12.664 -12.664
377 3HD2 LEU 57 3HD2 LEU 57 -2.106 -13.621 -13.621
378 H ASN 58 H ASN 58 0.781 -10.158 -10.158
379 HA ASN 58 HA ASN 58 2.687 -10.441 -10.441
380 1HB ASN 58 2HB ASN 58 1.571 -9.170 -9.170
381 2HB ASN 58 1HB ASN 58 1.364 -10.911 -10.911
382 1HD2 ASN 58 1HD2 ASN 58 -0.436 -8.763 -8.763
383 2HD2 ASN 58 2HD2 ASN 58 -1.942 -9.022 -9.022
384 H ALA 59 H ALA 59 3.849 -8.890 -8.890
385 HA ALA 59 HA ALA 59 2.998 -6.129 -6.129
386 1HB ALA 59 3HB ALA 59 2.286 -7.230 -7.230
387 2HB ALA 59 2HB ALA 59 3.909 -6.667 -6.667
388 3HB ALA 59 1HB ALA 59 2.700 -5.527 -5.527
389 H GLY 60 H GLY 60 4.689 -4.587 -4.587
390 1HA GLY 60 2HA GLY 60 7.282 -5.521 -5.521
391 2HA GLY 60 1HA GLY 60 6.848 -3.859 -3.859
392 H VAL 61 H VAL 61 7.778 -3.034 -3.034
393 HA VAL 61 HA VAL 61 9.016 -4.913 -4.913
394 HB VAL 61 HB VAL 61 10.033 -2.680 -2.680
395 H VAL 62 H VAL 62 8.943 -3.844 -3.844
396 HA VAL 62 HA VAL 62 6.130 -3.266 -3.266
397 HB VAL 62 HB VAL 62 7.941 -5.094 -5.094
398 H TRP 63 H TRP 63 7.042 -1.071 -1.071
399 HA TRP 63 HA TRP 63 9.130 -0.153 -0.153
400 1HB TRP 63 2HB TRP 63 6.656 1.176 1.176
401 2HB TRP 63 1HB TRP 63 7.761 2.049 2.049
402 HD1 TRP 63 HD TRP 63 7.133 1.734 1.734
403 HE1 TRP 63 1HE TRP 63 9.229 2.131 2.131
404 HE3 TRP 63 3HE TRP 63 10.788 1.203 1.203
405 HZ2 TRP 63 2HZ TRP 63 12.087 2.219 2.219
406 HZ3 TRP 63 3HZ TRP 63 13.159 1.477 1.477
407 HH2 TRP 63 HH TRP 63 13.816 1.970 1.970
408 H ILE 64 H ILE 64 9.273 0.534 0.534
409 HA ILE 64 HA ILE 64 6.921 0.703 0.703
410 HB ILE 64 HB ILE 64 7.348 -1.728 -1.728
411 1HD1 ILE 64 2HD1 ILE 64 5.490 -1.000 -1.000
412 2HD1 ILE 64 1HD1 ILE 64 5.864 -2.490 -2.490
413 3HD1 ILE 64 3HD1 ILE 64 5.511 -1.013 -1.013
414 H GLY 65 H GLY 65 10.473 0.540 0.540
415 1HA GLY 65 2HA GLY 65 11.109 1.748 1.748
416 2HA GLY 65 1HA GLY 65 12.087 1.876 1.876
417 H GLY 66 H GLY 66 11.390 3.807 3.807
418 1HA GLY 66 2HA GLY 66 9.666 5.824 5.824
419 2HA GLY 66 1HA GLY 66 10.930 6.050 6.050
420 H SER 67 H SER 67 12.370 7.560 7.560
421 HA SER 67 HA SER 67 13.625 7.431 7.431
422 1HB SER 67 2HB SER 67 11.510 8.799 8.799
423 2HB SER 67 1HB SER 67 12.221 10.011 10.011
424 HG SER 67 HG SER 67 12.887 10.578 10.578
425 H ALA 68 H ALA 68 15.699 7.638 7.638
426 HA ALA 68 HA ALA 68 16.651 9.894 9.894
427 1HB ALA 68 3HB ALA 68 17.097 7.042 7.042
428 2HB ALA 68 2HB ALA 68 17.934 8.460 8.460
429 3HB ALA 68 1HB ALA 68 16.191 8.300 8.300
430 H CYS 69 H CYS 69 18.473 10.616 10.616
431 HA CYS 69 HA CYS 69 20.557 8.890 8.890
432 1HB CYS 69 2HB CYS 69 18.648 10.113 10.113
433 2HB CYS 69 1HB CYS 69 20.356 10.276 10.276
434 H LEU 70 H LEU 70 20.218 10.973 10.973
435 HA LEU 70 HA LEU 70 22.164 12.935 12.935
436 1HB LEU 70 2HB LEU 70 19.532 13.414 13.414
437 2HB LEU 70 1HB LEU 70 20.803 14.250 14.250
438 HG LEU 70 HG LEU 70 19.914 15.661 15.661
439 1HD1 LEU 70 3HD1 LEU 70 22.719 14.791 14.791
440 2HD1 LEU 70 2HD1 LEU 70 22.322 15.559 15.559
441 3HD1 LEU 70 1HD1 LEU 70 22.042 16.418 16.418
442 1HD2 LEU 70 2HD2 LEU 70 19.513 13.457 13.457
443 2HD2 LEU 70 1HD2 LEU 70 19.810 15.003 15.003
444 3HD2 LEU 70 3HD2 LEU 70 21.121 13.836 13.836
445 H GLN 71 H GLN 71 20.805 11.370 11.370
446 HA GLN 71 HA GLN 71 23.487 11.503 11.503
447 1HB GLN 71 2HB GLN 71 20.813 12.067 12.067
448 2HB GLN 71 1HB GLN 71 22.266 11.692 11.692
449 1HG GLN 71 2HG GLN 71 23.415 13.618 13.618
450 2HG GLN 71 1HG GLN 71 22.152 13.914 13.914
451 H ALA 72 H ALA 72 23.315 9.993 9.993
452 HA ALA 72 HA ALA 72 22.259 7.409 7.409
453 1HB ALA 72 3HB ALA 72 24.777 7.657 7.657
454 2HB ALA 72 2HB ALA 72 24.492 7.770 7.770
455 3HB ALA 72 1HB ALA 72 24.045 6.305 6.305
456 H GLY 73 H GLY 73 20.501 6.775 6.775
457 1HA GLY 73 2HA GLY 73 19.180 6.095 6.095
458 2HA GLY 73 1HA GLY 73 20.422 6.685 6.685
459 H ALA 74 H ALA 74 18.326 8.171 8.171
460 HA ALA 74 HA ALA 74 17.065 9.847 9.847
461 1HB ALA 74 2HB ALA 74 19.065 10.867 10.867
462 2HB ALA 74 1HB ALA 74 17.623 11.846 11.846
463 3HB ALA 74 3HB ALA 74 18.680 11.443 11.443
464 H TRP 75 H TRP 75 15.530 8.167 8.167
465 HA TRP 75 HA TRP 75 13.707 9.550 9.550
466 1HB TRP 75 2HB TRP 75 13.843 8.250 8.250
467 2HB TRP 75 1HB TRP 75 15.367 9.046 9.046
468 HD1 TRP 75 HD TRP 75 16.399 6.827 6.827
469 HE1 TRP 75 1HE TRP 75 17.325 4.626 4.626
470 HE3 TRP 75 3HE TRP 75 14.185 6.874 6.874
471 HZ2 TRP 75 2HZ TRP 75 17.157 3.097 3.097
472 HZ3 TRP 75 3HZ TRP 75 14.584 5.059 5.059
473 HH2 TRP 75 HH TRP 75 16.069 3.175 3.175
474 H THR 76 H THR 76 12.333 7.417 7.417
475 HA THR 76 HA THR 76 11.832 5.544 5.544
476 HB THR 76 HB THR 76 9.270 6.174 6.174
477 HG1 THR 76 1HG THR 76 9.052 8.270 8.270
478 H TRP 77 H TRP 77 9.705 4.267 4.267
479 HA TRP 77 HA TRP 77 10.305 2.960 2.960
480 1HB TRP 77 2HB TRP 77 9.971 1.874 1.874
481 2HB TRP 77 1HB TRP 77 8.268 2.000 2.000
482 HD1 TRP 77 HD TRP 77 7.524 -0.304 -0.304
483 HE1 TRP 77 1HE TRP 77 8.382 -2.131 -2.131
484 HE3 TRP 77 3HE TRP 77 11.967 1.779 1.779
485 HZ2 TRP 77 2HZ TRP 77 10.635 -2.644 -2.644
486 HZ3 TRP 77 3HZ TRP 77 13.440 0.593 0.593
487 HH2 TRP 77 HH TRP 77 12.784 -1.616 -1.616
488 H SER 78 H SER 78 7.872 1.877 1.877
489 HA SER 78 HA SER 78 6.536 3.878 3.878
490 1HB SER 78 2HB SER 78 6.015 1.060 1.060
491 2HB SER 78 1HB SER 78 4.557 2.008 2.008
492 HG SER 78 HG SER 78 5.401 1.164 1.164
493 H ASP 79 H ASP 79 6.226 2.918 2.918
494 HA ASP 79 HA ASP 79 4.126 4.957 4.957
495 1HB ASP 79 2HB ASP 79 3.532 2.338 2.338
496 2HB ASP 79 1HB ASP 79 4.093 2.640 2.640
497 H GLY 80 H GLY 80 7.067 3.472 3.472
498 1HA GLY 80 2HA GLY 80 8.573 4.880 4.880
499 2HA GLY 80 1HA GLY 80 7.168 5.506 5.506
500 H THR 81 H THR 81 6.017 4.049 4.049
501 HA THR 81 HA THR 81 7.708 2.723 2.723
502 HB THR 81 HB THR 81 4.910 1.815 1.815
503 HG1 THR 81 1HG THR 81 4.093 3.670 3.670
504 HA PRO 82 HA PRO 82 6.243 -1.463 -1.463
505 1HB PRO 82 2HB PRO 82 4.778 -1.532 -1.532
506 2HB PRO 82 1HB PRO 82 4.067 -1.406 -1.406
507 1HG PRO 82 2HG PRO 82 4.355 0.668 0.668
508 2HG PRO 82 1HG PRO 82 3.154 0.529 0.529
509 1HD PRO 82 2HD PRO 82 5.410 2.240 2.240
510 2HD PRO 82 1HD PRO 82 4.375 1.866 1.866
511 H MET 83 H MET 83 8.007 -2.442 -2.442
512 HA MET 83 HA MET 83 8.816 -2.024 -2.024
513 1HB MET 83 2HB MET 83 10.922 -1.744 -1.744
514 2HB MET 83 1HB MET 83 11.051 -1.374 -1.374
515 1HG MET 83 2HG MET 83 9.339 0.445 0.445
516 2HG MET 83 1HG MET 83 9.442 0.141 0.141
517 1HE MET 83 2HE MET 83 11.015 0.517 0.517
518 2HE MET 83 1HE MET 83 12.451 1.530 1.530
519 3HE MET 83 3HE MET 83 10.841 2.254 2.254
520 H ASN 84 H ASN 84 7.955 -4.238 -4.238
521 HA ASN 84 HA ASN 84 9.980 -6.144 -6.144
522 1HB ASN 84 2HB ASN 84 7.867 -7.778 -7.778
523 2HB ASN 84 1HB ASN 84 8.237 -6.859 -6.859
524 1HD2 ASN 84 1HD2 ASN 84 7.159 -4.519 -4.519
525 2HD2 ASN 84 2HD2 ASN 84 5.556 -4.474 -4.474
526 H PHE 85 H PHE 85 7.196 -6.844 -6.844
527 HA PHE 85 HA PHE 85 7.092 -7.830 -7.830
528 1HB PHE 85 2HB PHE 85 8.777 -5.492 -5.492
529 2HB PHE 85 1HB PHE 85 9.326 -6.725 -6.725
530 HD1 PHE 85 1HD PHE 85 6.409 -4.692 -4.692
531 HD2 PHE 85 2HD PHE 85 8.001 -7.361 -7.361
532 HE1 PHE 85 1HE PHE 85 4.500 -4.169 -4.169
533 HE2 PHE 85 2HE PHE 85 6.094 -6.837 -6.837
534 HZ PHE 85 HZ PHE 85 4.344 -5.241 -5.241
535 H ARG 86 H ARG 86 8.931 -8.623 -8.623
536 HA ARG 86 HA ARG 86 10.094 -10.936 -10.936
537 1HB ARG 86 2HB ARG 86 9.798 -10.032 -10.032
538 2HB ARG 86 1HB ARG 86 10.897 -11.351 -11.351
539 1HG ARG 86 2HG ARG 86 8.031 -11.317 -11.317
540 2HG ARG 86 1HG ARG 86 8.486 -12.006 -12.006
541 1HD ARG 86 2HD ARG 86 10.101 -13.494 -13.494
542 2HD ARG 86 1HD ARG 86 9.577 -12.838 -12.838
543 HE ARG 86 HE ARG 86 7.970 -14.558 -14.558
544 1HH1 ARG 86 1HH1 ARG 86 7.300 -12.249 -12.249
545 2HH1 ARG 86 2HH1 ARG 86 6.508 -13.303 -13.303
546 1HH2 ARG 86 1HH2 ARG 86 7.426 -16.201 -16.201
547 2HH2 ARG 86 2HH2 ARG 86 6.580 -15.541 -15.541
548 H SER 87 H SER 87 12.114 -11.115 -11.115
549 HA SER 87 HA SER 87 14.083 -9.091 -9.091
550 1HB SER 87 2HB SER 87 15.259 -10.086 -10.086
551 2HB SER 87 1HB SER 87 14.071 -8.790 -8.790
552 HG SER 87 HG SER 87 13.313 -10.276 -10.276
553 H TRP 88 H TRP 88 14.176 -10.636 -10.636
554 HA TRP 88 HA TRP 88 15.294 -13.214 -13.214
555 1HB TRP 88 2HB TRP 88 15.358 -11.178 -11.178
556 2HB TRP 88 1HB TRP 88 16.034 -12.799 -12.799
557 HD1 TRP 88 HD TRP 88 12.857 -10.929 -10.929
558 HE1 TRP 88 1HE TRP 88 10.876 -12.552 -12.552
559 HE3 TRP 88 3HE TRP 88 15.153 -15.341 -15.341
560 HZ2 TRP 88 2HZ TRP 88 10.336 -15.353 -15.353
561 HZ3 TRP 88 3HZ TRP 88 13.884 -17.469 -17.469
562 HH2 TRP 88 HH TRP 88 11.481 -17.481 -17.481
563 H CYS 89 H CYS 89 16.802 -10.030 -10.030
564 HA CYS 89 HA CYS 89 19.275 -11.063 -11.063
565 1HB CYS 89 2HB CYS 89 20.652 -10.114 -10.114
566 2HB CYS 89 1HB CYS 89 19.686 -11.507 -11.507
567 H SER 90 H SER 90 20.903 -9.233 -9.233
568 HA SER 90 HA SER 90 20.054 -6.526 -6.526
569 1HB SER 90 2HB SER 90 19.581 -8.002 -8.002
570 2HB SER 90 1HB SER 90 20.077 -6.313 -6.313
571 HG SER 90 HG SER 90 17.708 -6.933 -6.933
572 H THR 91 H THR 91 22.358 -8.089 -8.089
573 HA THR 91 HA THR 91 24.363 -6.992 -6.992
574 HB THR 91 HB THR 91 24.972 -9.115 -9.115
575 HG1 THR 91 1HG THR 91 24.516 -10.597 -10.597
576 H LYS 92 H LYS 92 24.264 -4.920 -4.920
577 HA LYS 92 HA LYS 92 26.045 -4.735 -4.735
578 1HB LYS 92 2HB LYS 92 23.140 -4.074 -4.074
579 2HB LYS 92 1HB LYS 92 24.267 -2.990 -2.990
580 1HG LYS 92 2HG LYS 92 25.240 -4.928 -4.928
581 2HG LYS 92 1HG LYS 92 24.067 -5.987 -5.987
582 1HD LYS 92 2HD LYS 92 22.240 -4.996 -4.996
583 2HD LYS 92 1HD LYS 92 23.185 -3.579 -3.579
584 1HE LYS 92 2HE LYS 92 24.544 -4.931 -4.931
585 2HE LYS 92 1HE LYS 92 23.705 -6.395 -6.395
586 1HZ LYS 92 2HZ LYS 92 22.351 -4.065 -4.065
587 2HZ LYS 92 1HZ LYS 92 22.875 -5.424 -5.424
588 3HZ LYS 92 3HZ LYS 92 21.681 -5.593 -5.593
589 HA PRO 93 HA PRO 93 26.603 -1.310 -1.310
590 1HB PRO 93 2HB PRO 93 29.328 -1.477 -1.477
591 2HB PRO 93 1HB PRO 93 28.239 -2.451 -2.451
592 1HG PRO 93 2HG PRO 93 29.877 -3.260 -3.260
593 2HG PRO 93 1HG PRO 93 29.271 -4.235 -4.235
594 1HD PRO 93 2HD PRO 93 28.190 -4.109 -4.109
595 2HD PRO 93 1HD PRO 93 27.464 -4.910 -4.910
596 H ASP 94 H ASP 94 28.148 -1.978 -1.978
597 HA ASP 94 HA ASP 94 28.998 0.806 0.806
598 1HB ASP 94 2HB ASP 94 30.298 -1.365 -1.365
599 2HB ASP 94 1HB ASP 94 29.252 -1.248 -1.248
600 H ASP 95 H ASP 95 26.329 0.767 0.767
601 HA ASP 95 HA ASP 95 25.455 1.654 1.654
602 1HB ASP 95 2HB ASP 95 24.249 -0.720 -0.720
603 2HB ASP 95 1HB ASP 95 23.278 0.288 0.288
604 H VAL 96 H VAL 96 25.354 3.689 3.689
605 HA VAL 96 HA VAL 96 23.130 3.999 3.999
606 HB VAL 96 HB VAL 96 25.572 5.778 5.778
607 H LEU 97 H LEU 97 25.098 6.096 6.096
608 HA LEU 97 HA LEU 97 22.812 7.725 7.725
609 1HB LEU 97 2HB LEU 97 24.413 8.865 8.865
610 2HB LEU 97 1HB LEU 97 24.950 8.827 8.827
611 HG LEU 97 HG LEU 97 25.800 6.480 6.480
612 1HD1 LEU 97 1HD1 LEU 97 26.840 9.246 9.246
613 2HD1 LEU 97 3HD1 LEU 97 27.587 7.733 7.733
614 3HD1 LEU 97 2HD1 LEU 97 25.976 8.161 8.161
615 1HD2 LEU 97 2HD2 LEU 97 26.503 7.533 7.533
616 2HD2 LEU 97 1HD2 LEU 97 27.637 6.604 6.604
617 3HD2 LEU 97 3HD2 LEU 97 27.677 8.367 8.367
618 H ALA 98 H ALA 98 24.473 5.005 5.005
619 HA ALA 98 HA ALA 98 23.586 5.272 5.272
620 1HB ALA 98 3HB ALA 98 24.276 2.799 2.799
621 2HB ALA 98 2HB ALA 98 24.006 2.818 2.818
622 3HB ALA 98 1HB ALA 98 25.356 3.715 3.715
623 H ALA 99 H ALA 99 21.871 4.452 4.452
624 HA ALA 99 HA ALA 99 19.509 3.792 3.792
625 1HB ALA 99 2HB ALA 99 20.724 2.150 2.150
626 2HB ALA 99 1HB ALA 99 18.969 2.176 2.176
627 3HB ALA 99 3HB ALA 99 19.983 1.627 1.627
628 H CYS 100 H CYS 100 17.649 4.690 4.690
629 HA CYS 100 HA CYS 100 17.774 6.195 6.195
630 1HB CYS 100 2HB CYS 100 16.119 6.951 6.951
631 2HB CYS 100 1HB CYS 100 16.390 7.908 7.908
632 H CYS 101 H CYS 101 16.014 3.874 3.874
633 HA CYS 101 HA CYS 101 13.967 3.809 3.809
634 1HB CYS 101 2HB CYS 101 13.513 3.717 3.717
635 2HB CYS 101 1HB CYS 101 12.313 3.162 3.162
636 H MET 102 H MET 102 13.955 1.894 1.894
637 HA MET 102 HA MET 102 15.288 -0.380 -0.380
638 1HB MET 102 2HB MET 102 13.789 -0.160 -0.160
639 2HB MET 102 1HB MET 102 14.804 -1.514 -1.514
640 1HG MET 102 2HG MET 102 16.618 0.379 0.379
641 2HG MET 102 1HG MET 102 15.602 1.264 1.264
642 1HE MET 102 3HE MET 102 17.893 1.352 1.352
643 2HE MET 102 2HE MET 102 18.620 0.038 0.038
644 3HE MET 102 1HE MET 102 18.783 0.071 0.071
645 H GLN 103 H GLN 103 14.265 -1.636 -1.636
646 HA GLN 103 HA GLN 103 11.442 -2.327 -2.327
647 1HB GLN 103 2HB GLN 103 11.035 -2.245 -2.245
648 2HB GLN 103 1HB GLN 103 11.336 -0.689 -0.689
649 1HG GLN 103 2HG GLN 103 13.538 -0.566 -0.566
650 2HG GLN 103 1HG GLN 103 13.567 -2.286 -2.286
651 H MET 104 H MET 104 10.847 -4.070 -4.070
652 HA MET 104 HA MET 104 12.998 -6.096 -6.096
653 1HB MET 104 2HB MET 104 10.708 -6.418 -6.418
654 2HB MET 104 1HB MET 104 10.142 -6.913 -6.913
655 1HG MET 104 2HG MET 104 12.297 -8.376 -8.376
656 2HG MET 104 1HG MET 104 12.305 -8.142 -8.142
657 1HE MET 104 2HE MET 104 12.181 -10.343 -10.343
658 2HE MET 104 1HE MET 104 11.302 -11.614 -11.614
659 3HE MET 104 3HE MET 104 10.596 -10.844 -10.844
660 H THR 105 H THR 105 13.795 -5.429 -5.429
661 HA THR 105 HA THR 105 12.755 -4.681 -4.681
662 HB THR 105 HB THR 105 14.563 -6.949 -6.949
663 HG1 THR 105 1HG THR 105 16.275 -5.771 -5.771
664 H ALA 106 H ALA 106 12.407 -7.946 -7.946
665 HA ALA 106 HA ALA 106 10.857 -9.566 -9.566
666 1HB ALA 106 2HB ALA 106 9.678 -7.248 -7.248
667 2HB ALA 106 1HB ALA 106 9.577 -8.510 -8.510
668 3HB ALA 106 3HB ALA 106 8.895 -8.783 -8.783
669 H ALA 107 H ALA 107 13.543 -9.509 -9.509
670 HA ALA 107 HA ALA 107 13.156 -10.580 -10.580
671 1HB ALA 107 1HB ALA 107 15.054 -9.018 -9.018
672 2HB ALA 107 3HB ALA 107 15.734 -10.325 -10.325
673 3HB ALA 107 2HB ALA 107 15.538 -10.529 -10.529
674 H ALA 108 H ALA 108 13.454 -11.673 -11.673
675 HA ALA 108 HA ALA 108 13.125 -13.841 -13.841
676 1HB ALA 108 3HB ALA 108 12.798 -14.514 -14.514
677 2HB ALA 108 2HB ALA 108 14.393 -15.215 -15.215
678 3HB ALA 108 1HB ALA 108 13.027 -15.714 -15.714
679 H ASP 109 H ASP 109 15.933 -12.765 -12.765
680 HA ASP 109 HA ASP 109 17.641 -13.892 -13.892
681 1HB ASP 109 2HB ASP 109 17.857 -14.626 -14.626
682 2HB ASP 109 1HB ASP 109 18.830 -13.155 -13.155
683 H GLN 110 H GLN 110 16.150 -11.146 -11.146
684 HA GLN 110 HA GLN 110 18.304 -9.325 -9.325
685 1HB GLN 110 2HB GLN 110 15.414 -9.149 -9.149
686 2HB GLN 110 1HB GLN 110 16.104 -7.806 -7.806
687 1HG GLN 110 2HG GLN 110 17.228 -8.740 -8.740
688 2HG GLN 110 1HG GLN 110 16.006 -7.477 -7.477
689 H CYS 111 H CYS 111 16.074 -10.633 -10.633
690 HA CYS 111 HA CYS 111 16.233 -10.784 -10.784
691 1HB CYS 111 2HB CYS 111 18.839 -10.230 -10.230
692 2HB CYS 111 1HB CYS 111 18.410 -8.810 -8.810
693 H TRP 112 H TRP 112 16.139 -9.276 -9.276
694 HA TRP 112 HA TRP 112 14.465 -6.961 -6.961
695 1HB TRP 112 2HB TRP 112 13.341 -8.656 -8.656
696 2HB TRP 112 1HB TRP 112 14.642 -8.634 -8.634
697 HD1 TRP 112 HD TRP 112 11.984 -6.223 -6.223
698 HE1 TRP 112 1HE TRP 112 11.291 -4.584 -4.584
699 HE3 TRP 112 3HE TRP 112 15.166 -7.711 -7.711
700 HZ2 TRP 112 2HZ TRP 112 11.998 -3.985 -3.985
701 HZ3 TRP 112 3HZ TRP 112 15.137 -6.592 -6.592
702 HH2 TRP 112 HH TRP 112 13.559 -4.731 -4.731
703 H ASP 113 H ASP 113 14.567 -5.085 -5.085
704 HA ASP 113 HA ASP 113 15.612 -3.507 -3.507
705 1HB ASP 113 2HB ASP 113 16.759 -5.488 -5.488
706 2HB ASP 113 1HB ASP 113 18.126 -5.163 -5.163
707 H ASP 114 H ASP 114 16.775 -1.721 -1.721
708 HA ASP 114 HA ASP 114 17.890 -0.205 -0.205
709 1HB ASP 114 2HB ASP 114 19.478 -2.710 -2.710
710 2HB ASP 114 1HB ASP 114 19.813 -1.346 -1.346
711 H LEU 115 H LEU 115 18.323 0.446 0.446
712 HA LEU 115 HA LEU 115 18.042 -0.363 -0.363
713 1HB LEU 115 2HB LEU 115 15.411 -0.999 -0.999
714 2HB LEU 115 1HB LEU 115 15.318 -0.128 -0.128
715 HG LEU 115 HG LEU 115 15.322 -2.686 -2.686
716 1HD1 LEU 115 2HD1 LEU 115 15.858 -1.092 -1.092
717 2HD1 LEU 115 1HD1 LEU 115 17.565 -1.301 -1.301
718 3HD1 LEU 115 3HD1 LEU 115 16.611 -2.678 -2.678
719 1HD2 LEU 115 3HD2 LEU 115 18.105 -2.274 -2.274
720 2HD2 LEU 115 2HD2 LEU 115 16.969 -3.582 -3.582
721 3HD2 LEU 115 1HD2 LEU 115 17.836 -3.512 -3.512
722 HA PRO 116 HA PRO 116 17.491 4.019 4.019
723 1HB PRO 116 2HB PRO 116 17.467 4.342 4.342
724 2HB PRO 116 1HB PRO 116 18.927 3.996 3.996
725 1HG PRO 116 2HG PRO 116 17.402 2.230 2.230
726 2HG PRO 116 1HG PRO 116 19.092 2.129 2.129
727 1HD PRO 116 2HD PRO 116 16.894 0.604 0.604
728 2HD PRO 116 1HD PRO 116 18.560 0.597 0.597
729 H CYS 117 H CYS 117 15.654 4.989 4.989
730 HA CYS 117 HA CYS 117 13.077 4.271 4.271
731 1HB CYS 117 2HB CYS 117 14.310 6.461 6.461
732 2HB CYS 117 1HB CYS 117 13.377 7.188 7.188
733 HA PRO 118 HA PRO 118 12.580 6.752 6.752
734 1HB PRO 118 2HB PRO 118 14.792 7.797 7.797
735 2HB PRO 118 1HB PRO 118 13.827 8.659 8.659
736 1HG PRO 118 2HG PRO 118 16.498 7.406 7.406
737 2HG PRO 118 1HG PRO 118 15.794 8.767 8.767
738 1HD PRO 118 2HD PRO 118 16.027 6.110 6.110
739 2HD PRO 118 1HD PRO 118 15.055 7.402 7.402
740 H ALA 119 H ALA 119 12.338 4.385 4.385
741 HA ALA 119 HA ALA 119 13.999 3.698 3.698
742 1HB ALA 119 2HB ALA 119 14.953 2.558 2.558
743 2HB ALA 119 1HB ALA 119 13.443 1.651 1.651
744 3HB ALA 119 3HB ALA 119 14.488 1.482 1.482
745 H SER 120 H SER 120 11.082 4.398 4.398
746 HA SER 120 HA SER 120 8.911 3.626 3.626
747 1HB SER 120 2HB SER 120 10.351 4.331 4.331
748 2HB SER 120 1HB SER 120 9.165 3.096 3.096
749 HG SER 120 HG SER 120 8.824 5.698 5.698
750 H HIS 121 H HIS 121 8.470 1.705 1.705
751 HA HIS 121 HA HIS 121 8.397 -0.589 -0.589
752 1HB HIS 121 2HB HIS 121 9.681 -0.654 -0.654
753 2HB HIS 121 1HB HIS 121 9.243 -2.078 -2.078
754 HD1 HIS 121 1HD HIS 121 10.192 -1.614 -1.614
755 HD2 HIS 121 2HD HIS 121 12.377 -0.213 -0.213
756 HE1 HIS 121 1HE HIS 121 12.568 -1.288 -1.288
757 H LYS 122 H LYS 122 6.194 -0.186 -0.186
758 HA LYS 122 HA LYS 122 3.997 -0.227 -0.227
759 1HB LYS 122 2HB LYS 122 5.350 -2.684 -2.684
760 2HB LYS 122 1HB LYS 122 4.021 -2.352 -2.352
761 1HG LYS 122 2HG LYS 122 2.831 -3.417 -3.417
762 2HG LYS 122 1HG LYS 122 2.770 -1.777 -1.777
763 1HD LYS 122 2HD LYS 122 4.891 -3.820 -3.820
764 2HD LYS 122 1HD LYS 122 3.468 -3.468 -3.468
765 1HE LYS 122 2HE LYS 122 4.418 -0.955 -0.955
766 2HE LYS 122 1HE LYS 122 5.927 -1.865 -1.865
767 1HZ LYS 122 2HZ LYS 122 3.926 -2.377 -2.377
768 2HZ LYS 122 1HZ LYS 122 4.990 -1.061 -1.061
769 3HZ LYS 122 3HZ LYS 122 5.604 -2.637 -2.637
770 H SER 123 H SER 123 2.728 -0.920 -0.920
771 HA SER 123 HA SER 123 3.937 0.428 0.428
772 1HB SER 123 2HB SER 123 1.806 1.719 1.719
773 2HB SER 123 1HB SER 123 1.775 1.939 1.939
774 HG SER 123 HG SER 123 3.040 3.505 3.505
775 H VAL 124 H VAL 124 2.968 -0.097 -0.097
776 HA VAL 124 HA VAL 124 0.533 -1.768 -1.768
777 HB VAL 124 HB VAL 124 2.976 -2.296 -2.296
778 H CYS 125 H CYS 125 -0.974 -0.536 -0.536
779 HA CYS 125 HA CYS 125 -0.263 0.772 0.772
780 1HB CYS 125 2HB CYS 125 -1.875 1.723 1.723
781 2HB CYS 125 1HB CYS 125 -2.410 2.187 2.187
782 H ALA 126 H ALA 126 -1.596 0.459 0.459
783 HA ALA 126 HA ALA 126 -4.030 -1.167 -1.167
784 1HB ALA 126 2HB ALA 126 -1.788 -1.652 -1.652
785 2HB ALA 126 1HB ALA 126 -3.412 -2.286 -2.286
786 3HB ALA 126 3HB ALA 126 -2.497 -2.780 -2.780
787 H MET 127 H MET 127 -5.464 -1.147 -1.147
788 HA MET 127 HA MET 127 -5.215 1.256 1.256
789 1HB MET 127 2HB MET 127 -7.393 0.714 0.714
790 2HB MET 127 1HB MET 127 -7.751 1.612 1.612
791 1HG MET 127 2HG MET 127 -5.303 2.533 2.533
792 2HG MET 127 1HG MET 127 -6.741 2.697 2.697
793 1HE MET 127 3HE MET 127 -4.973 3.219 3.219
794 2HE MET 127 2HE MET 127 -5.638 4.651 4.651
795 3HE MET 127 1HE MET 127 -6.453 3.100 3.100
796 H THR 128 H THR 128 -6.577 1.205 1.205
797 HA THR 128 HA THR 128 -8.081 -1.249 -1.249
798 HB THR 128 HB THR 128 -5.883 -1.918 -1.918
799 HG1 THR 128 1HG THR 128 -6.792 -2.664 -2.664
800 H PHE 129 H PHE 129 -9.308 -1.118 -1.118
801 HA PHE 129 HA PHE 129 -9.557 1.505 1.505
802 1HB PHE 129 2HB PHE 129 -12.015 1.605 1.605
803 2HB PHE 129 1HB PHE 129 -11.025 1.815 1.815
804 HD1 PHE 129 2HD PHE 129 -13.197 -0.529 -0.529
805 HD2 PHE 129 1HD PHE 129 -10.975 0.146 0.146
806 HE1 PHE 129 2HE PHE 129 -14.320 -2.473 -2.473
807 HE2 PHE 129 1HE PHE 129 -12.099 -1.798 -1.798
808 HZ PHE 129 HZ PHE 129 -13.771 -3.108 -3.108
Start of MODEL 5
1 1H GLN 1 2HT GLN 1 -11.337 9.049 9.049
2 2H GLN 1 1HT GLN 1 -12.663 8.909 8.909
3 3H GLN 1 3HT GLN 1 -12.232 10.428 10.428
4 HA GLN 1 HA GLN 1 -11.354 10.535 10.535
5 1HB GLN 1 2HB GLN 1 -10.139 8.579 8.579
6 2HB GLN 1 1HB GLN 1 -11.839 8.246 8.246
7 1HG GLN 1 2HG GLN 1 -11.360 6.785 6.785
8 2HG GLN 1 1HG GLN 1 -9.902 7.656 7.656
9 H ARG 2 H ARG 2 -10.374 11.114 11.114
10 HA ARG 2 HA ARG 2 -8.461 11.867 11.867
11 1HB ARG 2 2HB ARG 2 -8.133 12.867 12.867
12 2HB ARG 2 1HB ARG 2 -7.070 11.501 11.501
13 1HG ARG 2 2HG ARG 2 -5.456 12.210 12.210
14 2HG ARG 2 1HG ARG 2 -6.625 13.046 13.046
15 1HD ARG 2 2HD ARG 2 -6.704 14.920 14.920
16 2HD ARG 2 1HD ARG 2 -6.130 14.026 14.026
17 HE ARG 2 HE ARG 2 -4.423 14.893 14.893
18 1HH1 ARG 2 1HH2 ARG 2 -3.354 12.607 12.607
19 2HH1 ARG 2 2HH2 ARG 2 -2.403 13.436 13.436
20 1HH2 ARG 2 1HH1 ARG 2 -3.851 16.526 16.526
21 2HH2 ARG 2 2HH1 ARG 2 -2.684 15.655 15.655
22 H ALA 3 H ALA 3 -8.252 10.050 10.050
23 HA ALA 3 HA ALA 3 -5.807 8.605 8.605
24 1HB ALA 3 3HB ALA 3 -7.178 7.285 7.285
25 2HB ALA 3 2HB ALA 3 -8.362 7.006 7.006
26 3HB ALA 3 1HB ALA 3 -6.735 6.340 6.340
27 H GLY 4 H GLY 4 -9.001 7.899 7.899
28 1HA GLY 4 2HA GLY 4 -8.219 8.649 8.649
29 2HA GLY 4 1HA GLY 4 -8.169 6.901 6.901
30 HA PRO 5 HA PRO 5 -12.551 8.024 8.024
31 1HB PRO 5 2HB PRO 5 -12.840 6.388 6.388
32 2HB PRO 5 1HB PRO 5 -12.224 8.045 8.045
33 1HG PRO 5 2HG PRO 5 -10.767 5.485 5.485
34 2HG PRO 5 1HG PRO 5 -10.362 7.081 7.081
35 1HD PRO 5 2HD PRO 5 -9.231 5.839 5.839
36 2HD PRO 5 1HD PRO 5 -8.990 7.520 7.520
37 H ASN 6 H ASN 6 -14.396 6.286 6.286
38 HA ASN 6 HA ASN 6 -14.276 4.285 4.285
39 1HB ASN 6 2HB ASN 6 -16.299 5.797 5.797
40 2HB ASN 6 1HB ASN 6 -16.584 4.673 4.673
41 1HD2 ASN 6 1HD2 ASN 6 -17.268 5.208 5.208
42 2HD2 ASN 6 2HD2 ASN 6 -17.730 3.630 3.630
43 H CYS 7 H CYS 7 -14.215 4.459 4.459
44 HA CYS 7 HA CYS 7 -13.857 2.872 2.872
45 1HB CYS 7 2HB CYS 7 -12.074 2.298 2.298
46 2HB CYS 7 1HB CYS 7 -12.994 0.796 0.796
47 HA PRO 8 HA PRO 8 -17.643 0.502 0.502
48 1HB PRO 8 2HB PRO 8 -19.549 1.889 1.889
49 2HB PRO 8 1HB PRO 8 -19.045 2.283 2.283
50 1HG PRO 8 2HG PRO 8 -18.474 3.708 3.708
51 2HG PRO 8 1HG PRO 8 -18.475 4.314 4.314
52 1HD PRO 8 2HD PRO 8 -16.193 3.615 3.615
53 2HD PRO 8 1HD PRO 8 -16.219 4.073 4.073
54 H ALA 9 H ALA 9 -18.145 1.992 1.992
55 HA ALA 9 HA ALA 9 -17.576 -0.569 -0.569
56 1HB ALA 9 2HB ALA 9 -20.074 -0.344 -0.344
57 2HB ALA 9 1HB ALA 9 -20.103 0.945 0.945
58 3HB ALA 9 3HB ALA 9 -19.656 -0.694 -0.694
59 H GLY 10 H GLY 10 -16.249 2.048 2.048
60 1HA GLY 10 2HA GLY 10 -16.429 2.789 2.789
61 2HA GLY 10 1HA GLY 10 -16.095 3.961 3.961
62 H TRP 11 H TRP 11 -14.773 0.727 0.727
63 HA TRP 11 HA TRP 11 -12.200 1.611 1.611
64 1HB TRP 11 2HB TRP 11 -12.759 1.472 1.472
65 2HB TRP 11 1HB TRP 11 -11.553 0.259 0.259
66 HD1 TRP 11 HD TRP 11 -12.228 4.026 4.026
67 HE1 TRP 11 1HE TRP 11 -9.966 5.243 5.243
68 HE3 TRP 11 3HE TRP 11 -9.066 0.029 0.029
69 HZ2 TRP 11 2HZ TRP 11 -7.179 4.600 4.600
70 HZ3 TRP 11 3HZ TRP 11 -6.616 0.354 0.354
71 HH2 TRP 11 HH TRP 11 -5.668 2.632 2.632
72 H GLN 12 H GLN 12 -10.779 -0.744 -0.744
73 HA GLN 12 HA GLN 12 -12.346 -2.901 -2.901
74 1HB GLN 12 2HB GLN 12 -10.733 -1.931 -1.931
75 2HB GLN 12 1HB GLN 12 -9.422 -2.404 -2.404
76 1HG GLN 12 2HG GLN 12 -10.396 -4.773 -4.773
77 2HG GLN 12 1HG GLN 12 -11.374 -4.198 -4.198
78 HA PRO 13 HA PRO 13 -10.289 -4.398 -4.398
79 1HB PRO 13 2HB PRO 13 -12.544 -4.872 -4.872
80 2HB PRO 13 1HB PRO 13 -11.699 -3.321 -3.321
81 1HG PRO 13 2HG PRO 13 -14.278 -4.058 -4.058
82 2HG PRO 13 1HG PRO 13 -13.665 -2.463 -2.463
83 1HD PRO 13 2HD PRO 13 -13.747 -3.598 -3.598
84 2HD PRO 13 1HD PRO 13 -13.023 -2.046 -2.046
85 H LEU 14 H LEU 14 -9.674 -6.338 -6.338
86 HA LEU 14 HA LEU 14 -11.448 -8.345 -8.345
87 1HB LEU 14 2HB LEU 14 -8.548 -8.305 -8.305
88 2HB LEU 14 1HB LEU 14 -9.350 -9.846 -9.846
89 HG LEU 14 HG LEU 14 -10.224 -8.582 -8.582
90 1HD1 LEU 14 2HD1 LEU 14 -7.696 -7.106 -7.106
91 2HD1 LEU 14 1HD1 LEU 14 -8.357 -7.101 -7.101
92 3HD1 LEU 14 3HD1 LEU 14 -9.287 -6.412 -6.412
93 1HD2 LEU 14 1HD2 LEU 14 -8.682 -10.617 -10.617
94 2HD2 LEU 14 3HD2 LEU 14 -8.474 -9.644 -9.644
95 3HD2 LEU 14 2HD2 LEU 14 -7.337 -9.483 -9.483
96 H GLY 15 H GLY 15 -9.473 -8.252 -8.252
97 1HA GLY 15 2HA GLY 15 -11.519 -9.058 -9.058
98 2HA GLY 15 1HA GLY 15 -10.612 -10.488 -10.488
99 H ASP 16 H ASP 16 -9.424 -7.211 -7.211
100 HA ASP 16 HA ASP 16 -8.143 -7.802 -7.802
101 1HB ASP 16 2HB ASP 16 -6.695 -7.973 -7.973
102 2HB ASP 16 1HB ASP 16 -5.984 -6.786 -6.786
103 H ARG 17 H ARG 17 -9.865 -6.107 -6.107
104 HA ARG 17 HA ARG 17 -10.392 -3.917 -3.917
105 1HB ARG 17 2HB ARG 17 -7.437 -3.536 -3.536
106 2HB ARG 17 1HB ARG 17 -8.513 -2.230 -2.230
107 1HG ARG 17 2HG ARG 17 -8.406 -4.807 -4.807
108 2HG ARG 17 1HG ARG 17 -7.295 -3.479 -3.479
109 1HD ARG 17 2HD ARG 17 -9.479 -2.028 -2.028
110 2HD ARG 17 1HD ARG 17 -10.281 -3.573 -3.573
111 HE ARG 17 HE ARG 17 -8.774 -2.115 -2.115
112 1HH1 ARG 17 1HH2 ARG 17 -10.861 -4.515 -4.515
113 2HH1 ARG 17 2HH2 ARG 17 -9.942 -5.633 -5.633
114 1HH2 ARG 17 1HH1 ARG 17 -6.955 -3.913 -3.913
115 2HH2 ARG 17 2HH1 ARG 17 -7.730 -5.292 -5.292
116 H CYS 18 H CYS 18 -7.965 -2.969 -2.969
117 HA CYS 18 HA CYS 18 -9.772 -2.822 -2.822
118 1HB CYS 18 2HB CYS 18 -9.184 -0.409 -0.409
119 2HB CYS 18 1HB CYS 18 -9.182 -0.217 -0.217
120 H ILE 19 H ILE 19 -8.630 -2.607 -2.607
121 HA ILE 19 HA ILE 19 -5.887 -1.705 -1.705
122 HB ILE 19 HB ILE 19 -5.565 -3.981 -3.981
123 1HD1 ILE 19 1HD1 ILE 19 -3.868 -5.404 -5.404
124 2HD1 ILE 19 3HD1 ILE 19 -4.203 -5.950 -5.950
125 3HD1 ILE 19 2HD1 ILE 19 -2.752 -5.007 -5.007
126 H TYR 20 H TYR 20 -4.920 -1.667 -1.667
127 HA TYR 20 HA TYR 20 -6.864 -1.826 -1.826
128 1HB TYR 20 2HB TYR 20 -5.776 0.577 0.577
129 2HB TYR 20 1HB TYR 20 -5.135 0.398 0.398
130 HD1 TYR 20 2HD TYR 20 -8.465 -0.380 -0.380
131 HD2 TYR 20 1HD TYR 20 -6.337 1.638 1.638
132 HE1 TYR 20 2HE TYR 20 -10.611 0.400 0.400
133 HE2 TYR 20 1HE TYR 20 -8.488 2.422 2.422
134 HH TYR 20 HH TYR 20 -10.868 1.735 1.735
135 H TYR 21 H TYR 21 -5.228 -0.881 -0.881
136 HA TYR 21 HA TYR 21 -2.626 -2.084 -2.084
137 1HB TYR 21 2HB TYR 21 -3.900 -4.153 -4.153
138 2HB TYR 21 1HB TYR 21 -4.844 -3.480 -3.480
139 HD1 TYR 21 2HD TYR 21 -1.210 -3.971 -3.971
140 HD2 TYR 21 1HD TYR 21 -4.228 -4.088 -4.088
141 HE1 TYR 21 2HE TYR 21 0.467 -4.785 -4.785
142 HE2 TYR 21 1HE TYR 21 -2.546 -4.900 -4.900
143 HH TYR 21 HH TYR 21 -0.146 -4.894 -4.894
144 H GLU 22 H GLU 22 -1.478 -1.697 -1.697
145 HA GLU 22 HA GLU 22 -2.823 0.022 0.022
146 1HB GLU 22 2HB GLU 22 -1.267 1.137 1.137
147 2HB GLU 22 1HB GLU 22 -0.073 0.852 0.852
148 1HG GLU 22 2HG GLU 22 -0.821 2.854 2.854
149 2HG GLU 22 1HG GLU 22 -2.123 1.873 1.873
150 H THR 23 H THR 23 -1.093 0.513 0.513
151 HA THR 23 HA THR 23 0.552 -1.880 -1.880
152 HB THR 23 HB THR 23 -0.350 -1.708 -1.708
153 HG1 THR 23 1HG THR 23 -1.629 0.045 0.045
154 H THR 24 H THR 24 -0.418 1.343 1.343
155 HA THR 24 HA THR 24 1.772 1.810 1.810
156 HB THR 24 HB THR 24 0.726 4.100 4.100
157 HG1 THR 24 1HG THR 24 -0.837 2.658 2.658
158 H ALA 25 H ALA 25 3.861 2.340 2.340
159 HA ALA 25 HA ALA 25 5.047 1.913 1.913
160 1HB ALA 25 1HB ALA 25 6.320 1.760 1.760
161 2HB ALA 25 3HB ALA 25 6.155 3.501 3.501
162 3HB ALA 25 2HB ALA 25 7.086 2.881 2.881
163 H MET 26 H MET 26 5.162 3.060 3.060
164 HA MET 26 HA MET 26 5.553 5.910 5.910
165 1HB MET 26 2HB MET 26 3.585 6.316 6.316
166 2HB MET 26 1HB MET 26 3.183 6.081 6.081
167 1HG MET 26 2HG MET 26 2.847 3.600 3.600
168 2HG MET 26 1HG MET 26 2.869 4.127 4.127
169 1HE MET 26 2HE MET 26 1.720 4.717 4.717
170 2HE MET 26 1HE MET 26 -0.026 4.940 4.940
171 3HE MET 26 3HE MET 26 1.053 6.319 6.319
172 H THR 27 H THR 27 7.228 5.828 5.828
173 HA THR 27 HA THR 27 7.476 3.927 3.927
174 HB THR 27 HB THR 27 9.126 5.856 5.856
175 HG1 THR 27 1HG THR 27 10.006 3.818 3.818
176 H TRP 28 H TRP 28 8.120 4.638 4.638
177 HA TRP 28 HA TRP 28 6.449 5.278 5.278
178 1HB TRP 28 2HB TRP 28 9.171 5.484 5.484
179 2HB TRP 28 1HB TRP 28 8.732 7.106 7.106
180 HD1 TRP 28 HD TRP 28 9.365 3.703 3.703
181 HE1 TRP 28 1HE TRP 28 8.788 3.430 3.430
182 HE3 TRP 28 3HE TRP 28 6.808 8.035 8.035
183 HZ2 TRP 28 2HZ TRP 28 7.418 4.884 4.884
184 HZ3 TRP 28 3HZ TRP 28 5.878 8.577 8.577
185 HH2 TRP 28 HH TRP 28 6.179 7.009 7.009
186 H ALA 29 H ALA 29 8.022 7.985 7.985
187 HA ALA 29 HA ALA 29 6.478 10.031 10.031
188 1HB ALA 29 3HB ALA 29 8.690 10.232 10.232
189 2HB ALA 29 2HB ALA 29 7.682 10.229 10.229
190 3HB ALA 29 1HB ALA 29 7.485 11.498 11.498
191 H LEU 30 H LEU 30 6.299 8.773 8.773
192 HA LEU 30 HA LEU 30 3.875 10.086 10.086
193 1HB LEU 30 2HB LEU 30 5.293 7.712 7.712
194 2HB LEU 30 1HB LEU 30 3.735 8.260 8.260
195 HG LEU 30 HG LEU 30 6.117 10.097 10.097
196 1HD1 LEU 30 3HD1 LEU 30 6.403 8.130 8.130
197 2HD1 LEU 30 2HD1 LEU 30 5.149 8.923 8.923
198 3HD1 LEU 30 1HD1 LEU 30 6.667 9.757 9.757
199 1HD2 LEU 30 1HD2 LEU 30 3.396 10.284 10.284
200 2HD2 LEU 30 3HD2 LEU 30 4.117 11.366 11.366
201 3HD2 LEU 30 2HD2 LEU 30 4.713 11.360 11.360
202 H ALA 31 H ALA 31 4.573 6.912 6.912
203 HA ALA 31 HA ALA 31 1.924 5.884 5.884
204 1HB ALA 31 1HB ALA 31 4.339 5.181 5.181
205 2HB ALA 31 3HB ALA 31 2.789 4.374 4.374
206 3HB ALA 31 2HB ALA 31 3.603 4.267 4.267
207 H GLU 32 H GLU 32 3.770 7.106 7.106
208 HA GLU 32 HA GLU 32 1.730 7.139 7.139
209 1HB GLU 32 2HB GLU 32 4.175 7.640 7.640
210 2HB GLU 32 1HB GLU 32 3.865 9.269 9.269
211 1HG GLU 32 2HG GLU 32 1.893 9.224 9.224
212 2HG GLU 32 1HG GLU 32 2.852 7.951 7.951
213 H THR 33 H THR 33 2.347 9.376 9.376
214 HA THR 33 HA THR 33 0.785 11.557 11.557
215 HB THR 33 HB THR 33 1.274 10.581 10.581
216 HG1 THR 33 1HG THR 33 3.184 11.331 11.331
217 H ASN 34 H ASN 34 -0.154 9.179 9.179
218 HA ASN 34 HA ASN 34 -2.914 9.770 9.770
219 1HB ASN 34 2HB ASN 34 -3.201 7.586 7.586
220 2HB ASN 34 1HB ASN 34 -2.009 8.645 8.645
221 1HD2 ASN 34 1HD2 ASN 34 -2.284 5.848 5.848
222 2HD2 ASN 34 2HD2 ASN 34 -0.741 5.228 5.228
223 H CYS 35 H CYS 35 -0.877 7.540 7.540
224 HA CYS 35 HA CYS 35 -2.915 5.941 5.941
225 1HB CYS 35 2HB CYS 35 -0.301 5.649 5.649
226 2HB CYS 35 1HB CYS 35 -0.393 6.553 6.553
227 H MET 36 H MET 36 -1.010 8.558 8.558
228 HA MET 36 HA MET 36 -2.544 8.771 8.771
229 1HB MET 36 2HB MET 36 -0.268 9.825 9.825
230 2HB MET 36 1HB MET 36 -1.158 11.111 11.111
231 1HG MET 36 2HG MET 36 -2.500 11.429 11.429
232 2HG MET 36 1HG MET 36 -1.435 10.271 10.271
233 1HE MET 36 3HE MET 36 -0.089 11.273 11.273
234 2HE MET 36 2HE MET 36 1.043 10.596 10.596
235 3HE MET 36 1HE MET 36 1.376 12.165 12.165
236 H LYS 37 H LYS 37 -3.056 10.084 10.084
237 HA LYS 37 HA LYS 37 -4.895 12.121 12.121
238 1HB LYS 37 2HB LYS 37 -4.222 10.504 10.504
239 2HB LYS 37 1HB LYS 37 -5.813 11.267 11.267
240 1HG LYS 37 2HG LYS 37 -4.938 13.414 13.414
241 2HG LYS 37 1HG LYS 37 -3.445 12.903 12.903
242 1HD LYS 37 2HD LYS 37 -2.913 13.459 13.459
243 2HD LYS 37 1HD LYS 37 -2.826 11.705 11.705
244 1HE LYS 37 2HE LYS 37 -4.995 11.426 11.426
245 2HE LYS 37 1HE LYS 37 -5.297 13.163 13.163
246 1HZ LYS 37 3HZ LYS 37 -3.088 11.895 11.895
247 2HZ LYS 37 2HZ LYS 37 -4.583 12.332 12.332
248 3HZ LYS 37 1HZ LYS 37 -3.552 13.526 13.526
249 H LEU 38 H LEU 38 -5.261 8.648 8.648
250 HA LEU 38 HA LEU 38 -8.185 8.877 8.877
251 1HB LEU 38 2HB LEU 38 -6.344 6.506 6.506
252 2HB LEU 38 1HB LEU 38 -8.079 6.350 6.350
253 HG LEU 38 HG LEU 38 -6.987 8.083 8.083
254 1HD1 LEU 38 3HD1 LEU 38 -7.250 5.120 5.120
255 2HD1 LEU 38 2HD1 LEU 38 -7.832 5.889 5.889
256 3HD1 LEU 38 1HD1 LEU 38 -6.155 6.102 6.102
257 1HD2 LEU 38 2HD2 LEU 38 -9.462 7.999 7.999
258 2HD2 LEU 38 1HD2 LEU 38 -9.183 8.174 8.174
259 3HD2 LEU 38 3HD2 LEU 38 -9.582 6.594 6.594
260 H GLY 39 H GLY 39 -6.299 9.703 9.703
261 1HA GLY 39 2HA GLY 39 -6.149 9.560 9.560
262 2HA GLY 39 1HA GLY 39 -7.735 8.797 8.797
263 H GLY 40 H GLY 40 -4.293 8.275 8.275
264 1HA GLY 40 2HA GLY 40 -4.215 6.043 6.043
265 2HA GLY 40 1HA GLY 40 -4.474 5.381 5.381
266 H HIS 41 H HIS 41 -2.386 4.358 4.358
267 HA HIS 41 HA HIS 41 -0.243 6.059 6.059
268 1HB HIS 41 2HB HIS 41 0.153 4.421 4.421
269 2HB HIS 41 1HB HIS 41 1.383 5.368 5.368
270 HD1 HIS 41 1HD HIS 41 1.251 7.955 7.955
271 HD2 HIS 41 2HD HIS 41 -1.712 5.958 5.958
272 HE1 HIS 41 1HE HIS 41 0.187 9.676 9.676
273 H LEU 42 H LEU 42 1.858 4.375 4.375
274 HA LEU 42 HA LEU 42 1.306 2.524 2.524
275 1HB LEU 42 2HB LEU 42 3.625 2.735 2.735
276 2HB LEU 42 1HB LEU 42 3.563 1.530 1.530
277 HG LEU 42 HG LEU 42 3.182 4.481 4.481
278 1HD1 LEU 42 2HD1 LEU 42 5.505 3.518 3.518
279 2HD1 LEU 42 1HD1 LEU 42 5.778 3.207 3.207
280 3HD1 LEU 42 3HD1 LEU 42 5.434 4.844 4.844
281 1HD2 LEU 42 1HD2 LEU 42 2.629 2.367 2.367
282 2HD2 LEU 42 3HD2 LEU 42 3.229 3.897 3.897
283 3HD2 LEU 42 2HD2 LEU 42 4.343 2.556 2.556
284 H ALA 43 H ALA 43 1.638 0.146 0.146
285 HA ALA 43 HA ALA 43 -0.232 -1.072 -1.072
286 1HB ALA 43 1HB ALA 43 1.509 -1.888 -1.888
287 2HB ALA 43 3HB ALA 43 1.722 -3.022 -3.022
288 3HB ALA 43 2HB ALA 43 0.116 -2.747 -2.747
289 H SER 44 H SER 44 0.649 -3.233 -3.233
290 HA SER 44 HA SER 44 2.977 -2.937 -2.937
291 1HB SER 44 2HB SER 44 0.343 -2.032 -2.032
292 2HB SER 44 1HB SER 44 1.574 -2.739 -2.739
293 HG SER 44 HG SER 44 3.002 -1.134 -1.134
294 H ILE 45 H ILE 45 -0.323 -4.209 -4.209
295 HA ILE 45 HA ILE 45 -1.238 -6.236 -6.236
296 HB ILE 45 HB ILE 45 -0.238 -8.136 -8.136
297 1HD1 ILE 45 1HD1 ILE 45 1.452 -9.301 -9.301
298 2HD1 ILE 45 3HD1 ILE 45 1.903 -8.103 -8.103
299 3HD1 ILE 45 2HD1 ILE 45 3.116 -8.723 -8.723
300 H HIS 46 H HIS 46 -0.374 -8.658 -8.658
301 HA HIS 46 HA HIS 46 1.456 -8.327 -8.327
302 1HB HIS 46 2HB HIS 46 -1.077 -7.882 -7.882
303 2HB HIS 46 1HB HIS 46 -1.171 -9.643 -9.643
304 HD1 HIS 46 1HD HIS 46 0.063 -10.952 -10.952
305 HD2 HIS 46 2HD HIS 46 0.618 -6.828 -6.828
306 HE1 HIS 46 1HE HIS 46 1.152 -10.520 -10.520
307 H SER 47 H SER 47 -0.895 -10.608 -10.608
308 HA SER 47 HA SER 47 0.647 -12.914 -12.914
309 1HB SER 47 2HB SER 47 -1.530 -12.725 -12.725
310 2HB SER 47 1HB SER 47 -0.974 -14.173 -14.173
311 HG SER 47 HG SER 47 -2.911 -12.639 -12.639
312 H GLN 48 H GLN 48 1.106 -14.533 -14.533
313 HA GLN 48 HA GLN 48 2.986 -13.192 -13.192
314 1HB GLN 48 2HB GLN 48 2.574 -16.049 -16.049
315 2HB GLN 48 1HB GLN 48 3.568 -15.659 -15.659
316 1HG GLN 48 2HG GLN 48 4.844 -14.044 -14.044
317 2HG GLN 48 1HG GLN 48 3.979 -14.748 -14.748
318 H GLU 49 H GLU 49 -0.017 -14.993 -14.993
319 HA GLU 49 HA GLU 49 -0.092 -15.679 -15.679
320 1HB GLU 49 2HB GLU 49 -2.577 -15.621 -15.621
321 2HB GLU 49 1HB GLU 49 -1.773 -16.538 -16.538
322 1HG GLU 49 2HG GLU 49 -2.994 -15.251 -15.251
323 2HG GLU 49 1HG GLU 49 -1.785 -14.013 -14.013
324 H GLU 50 H GLU 50 -0.603 -12.628 -12.628
325 HA GLU 50 HA GLU 50 -1.828 -11.254 -11.254
326 1HB GLU 50 2HB GLU 50 -0.542 -10.495 -10.495
327 2HB GLU 50 1HB GLU 50 -0.482 -9.272 -9.272
328 1HG GLU 50 2HG GLU 50 -2.752 -8.955 -8.955
329 2HG GLU 50 1HG GLU 50 -3.092 -10.644 -10.644
330 H HIS 51 H HIS 51 1.481 -12.033 -12.033
331 HA HIS 51 HA HIS 51 2.812 -10.329 -10.329
332 1HB HIS 51 2HB HIS 51 3.707 -11.989 -11.989
333 2HB HIS 51 1HB HIS 51 3.920 -13.049 -13.049
334 HD1 HIS 51 1HD HIS 51 6.342 -12.881 -12.881
335 HD2 HIS 51 2HD HIS 51 4.693 -9.140 -9.140
336 HE1 HIS 51 1HE HIS 51 8.145 -11.177 -11.177
337 H SER 52 H SER 52 1.540 -13.632 -13.632
338 HA SER 52 HA SER 52 2.336 -14.275 -14.275
339 1HB SER 52 2HB SER 52 -0.329 -15.086 -15.086
340 2HB SER 52 1HB SER 52 0.713 -15.989 -15.989
341 HG SER 52 HG SER 52 2.113 -16.370 -16.370
342 H PHE 53 H PHE 53 -0.427 -12.423 -12.423
343 HA PHE 53 HA PHE 53 -1.896 -12.202 -12.202
344 1HB PHE 53 2HB PHE 53 -2.412 -11.393 -11.393
345 2HB PHE 53 1HB PHE 53 -1.736 -9.874 -9.874
346 HD1 PHE 53 2HD PHE 53 -4.107 -12.541 -12.541
347 HD2 PHE 53 1HD PHE 53 -3.095 -8.387 -8.387
348 HE1 PHE 53 2HE PHE 53 -6.246 -12.001 -12.001
349 HE2 PHE 53 1HE PHE 53 -5.219 -7.841 -7.841
350 HZ PHE 53 HZ PHE 53 -6.829 -9.640 -9.640
351 H ILE 54 H ILE 54 0.967 -10.519 -10.519
352 HA ILE 54 HA ILE 54 0.846 -8.434 -8.434
353 HB ILE 54 HB ILE 54 3.261 -9.380 -9.380
354 1HD1 ILE 54 3HD1 ILE 54 3.802 -7.230 -7.230
355 2HD1 ILE 54 2HD1 ILE 54 2.560 -6.947 -6.947
356 3HD1 ILE 54 1HD1 ILE 54 3.291 -8.544 -8.544
357 H GLN 55 H GLN 55 2.707 -11.440 -11.440
358 HA GLN 55 HA GLN 55 4.215 -11.221 -11.221
359 1HB GLN 55 2HB GLN 55 3.435 -13.476 -13.476
360 2HB GLN 55 1HB GLN 55 4.136 -13.854 -13.854
361 1HG GLN 55 2HG GLN 55 6.047 -13.686 -13.686
362 2HG GLN 55 1HG GLN 55 5.925 -12.051 -12.051
363 H THR 56 H THR 56 0.971 -12.400 -12.400
364 HA THR 56 HA THR 56 0.555 -13.704 -13.704
365 HB THR 56 HB THR 56 -1.944 -13.029 -13.029
366 HG1 THR 56 1HG THR 56 -1.213 -11.590 -11.590
367 H LEU 57 H LEU 57 0.302 -10.374 -10.374
368 HA LEU 57 HA LEU 57 -1.043 -9.511 -9.511
369 1HB LEU 57 2HB LEU 57 -0.226 -8.280 -8.280
370 2HB LEU 57 1HB LEU 57 -0.161 -7.206 -7.206
371 HG LEU 57 HG LEU 57 -2.371 -7.109 -7.109
372 1HD1 LEU 57 1HD1 LEU 57 -1.911 -7.197 -7.197
373 2HD1 LEU 57 3HD1 LEU 57 -2.980 -8.592 -8.592
374 3HD1 LEU 57 2HD1 LEU 57 -3.531 -7.003 -7.003
375 1HD2 LEU 57 1HD2 LEU 57 -2.508 -10.057 -10.057
376 2HD2 LEU 57 3HD2 LEU 57 -2.425 -9.388 -9.388
377 3HD2 LEU 57 2HD2 LEU 57 -3.849 -9.102 -9.102
378 H ASN 58 H ASN 58 2.204 -9.491 -9.491
379 HA ASN 58 HA ASN 58 4.227 -8.687 -8.687
380 1HB ASN 58 2HB ASN 58 4.648 -9.633 -9.633
381 2HB ASN 58 1HB ASN 58 4.448 -10.743 -10.743
382 1HD2 ASN 58 1HD2 ASN 58 2.129 -11.580 -11.580
383 2HD2 ASN 58 2HD2 ASN 58 1.197 -11.841 -11.841
384 H ALA 59 H ALA 59 4.173 -6.490 -6.490
385 HA ALA 59 HA ALA 59 4.006 -5.345 -5.345
386 1HB ALA 59 3HB ALA 59 2.153 -4.596 -4.596
387 2HB ALA 59 2HB ALA 59 2.599 -3.416 -3.416
388 3HB ALA 59 1HB ALA 59 1.769 -4.901 -4.901
389 H GLY 60 H GLY 60 6.006 -5.830 -5.830
390 1HA GLY 60 2HA GLY 60 7.996 -4.274 -4.274
391 2HA GLY 60 1HA GLY 60 6.866 -3.029 -3.029
392 H VAL 61 H VAL 61 8.148 -2.698 -2.698
393 HA VAL 61 HA VAL 61 8.120 -4.990 -4.990
394 HB VAL 61 HB VAL 61 9.309 -2.464 -2.464
395 H VAL 62 H VAL 62 7.983 -3.710 -3.710
396 HA VAL 62 HA VAL 62 5.405 -2.268 -2.268
397 HB VAL 62 HB VAL 62 4.847 -3.457 -3.457
398 H TRP 63 H TRP 63 6.021 -0.291 -0.291
399 HA TRP 63 HA TRP 63 8.242 0.333 0.333
400 1HB TRP 63 2HB TRP 63 5.918 1.947 1.947
401 2HB TRP 63 1HB TRP 63 7.162 2.651 2.651
402 HD1 TRP 63 HD TRP 63 6.445 2.397 2.397
403 HE1 TRP 63 1HE TRP 63 8.575 2.448 2.448
404 HE3 TRP 63 3HE TRP 63 9.979 1.449 1.449
405 HZ2 TRP 63 2HZ TRP 63 11.400 2.131 2.131
406 HZ3 TRP 63 3HZ TRP 63 12.377 1.326 1.326
407 HH2 TRP 63 HH TRP 63 13.093 1.665 1.665
408 H ILE 64 H ILE 64 8.250 -0.462 -0.462
409 HA ILE 64 HA ILE 64 6.165 0.512 0.512
410 HB ILE 64 HB ILE 64 7.396 -2.245 -2.245
411 1HD1 ILE 64 2HD1 ILE 64 4.395 -0.392 -0.392
412 2HD1 ILE 64 1HD1 ILE 64 4.172 -0.758 -0.758
413 3HD1 ILE 64 3HD1 ILE 64 3.405 -1.765 -1.765
414 H GLY 65 H GLY 65 7.701 2.152 2.152
415 1HA GLY 65 2HA GLY 65 9.169 1.777 1.777
416 2HA GLY 65 1HA GLY 65 10.313 1.464 1.464
417 H GLY 66 H GLY 66 9.991 3.666 3.666
418 1HA GLY 66 2HA GLY 66 9.274 6.086 6.086
419 2HA GLY 66 1HA GLY 66 10.362 5.939 5.939
420 H SER 67 H SER 67 12.417 6.501 6.501
421 HA SER 67 HA SER 67 13.973 5.896 5.896
422 1HB SER 67 2HB SER 67 14.238 8.360 8.360
423 2HB SER 67 1HB SER 67 12.830 7.470 7.470
424 HG SER 67 HG SER 67 12.336 9.561 9.561
425 H ALA 68 H ALA 68 16.130 6.633 6.633
426 HA ALA 68 HA ALA 68 16.889 8.379 8.379
427 1HB ALA 68 2HB ALA 68 16.491 5.856 5.856
428 2HB ALA 68 1HB ALA 68 18.142 5.693 5.693
429 3HB ALA 68 3HB ALA 68 17.771 6.873 6.873
430 H CYS 69 H CYS 69 17.864 9.527 9.527
431 HA CYS 69 HA CYS 69 20.544 8.624 8.624
432 1HB CYS 69 2HB CYS 69 20.235 8.959 8.959
433 2HB CYS 69 1HB CYS 69 19.413 7.537 7.537
434 H LEU 70 H LEU 70 19.150 10.854 10.854
435 HA LEU 70 HA LEU 70 20.684 13.016 13.016
436 1HB LEU 70 2HB LEU 70 17.717 12.890 12.890
437 2HB LEU 70 1HB LEU 70 18.420 14.430 14.430
438 HG LEU 70 HG LEU 70 19.205 12.913 12.913
439 1HD1 LEU 70 3HD1 LEU 70 16.813 14.060 14.060
440 2HD1 LEU 70 2HD1 LEU 70 17.744 15.521 15.521
441 3HD1 LEU 70 1HD1 LEU 70 17.722 14.201 14.201
442 1HD2 LEU 70 2HD2 LEU 70 20.115 15.406 15.406
443 2HD2 LEU 70 1HD2 LEU 70 21.032 14.264 14.264
444 3HD2 LEU 70 3HD2 LEU 70 19.990 15.456 15.456
445 H GLN 71 H GLN 71 20.767 11.453 11.453
446 HA GLN 71 HA GLN 71 20.686 13.688 13.688
447 1HB GLN 71 2HB GLN 71 19.063 11.199 11.199
448 2HB GLN 71 1HB GLN 71 19.820 11.769 11.769
449 1HG GLN 71 2HG GLN 71 18.856 14.111 14.111
450 2HG GLN 71 1HG GLN 71 17.702 13.059 13.059
451 H ALA 72 H ALA 72 21.525 12.604 12.604
452 HA ALA 72 HA ALA 72 24.136 11.456 11.456
453 1HB ALA 72 1HB ALA 72 23.117 13.070 13.070
454 2HB ALA 72 3HB ALA 72 24.500 12.006 12.006
455 3HB ALA 72 2HB ALA 72 24.583 13.282 13.282
456 H GLY 73 H GLY 73 21.772 9.798 9.798
457 1HA GLY 73 2HA GLY 73 21.668 7.487 7.487
458 2HA GLY 73 1HA GLY 73 22.667 7.793 7.793
459 H ALA 74 H ALA 74 19.521 7.340 7.340
460 HA ALA 74 HA ALA 74 18.431 7.647 7.647
461 1HB ALA 74 1HB ALA 74 18.207 9.892 9.892
462 2HB ALA 74 3HB ALA 74 16.982 9.051 9.051
463 3HB ALA 74 2HB ALA 74 16.776 9.234 9.234
464 H TRP 75 H TRP 75 17.437 7.293 7.293
465 HA TRP 75 HA TRP 75 16.114 5.747 5.747
466 1HB TRP 75 2HB TRP 75 17.430 4.174 4.174
467 2HB TRP 75 1HB TRP 75 16.055 3.434 3.434
468 HD1 TRP 75 HD TRP 75 19.678 3.997 3.997
469 HE1 TRP 75 1HE TRP 75 20.470 3.364 3.364
470 HE3 TRP 75 3HE TRP 75 15.164 3.572 3.572
471 HZ2 TRP 75 2HZ TRP 75 19.341 2.758 2.758
472 HZ3 TRP 75 3HZ TRP 75 15.053 2.967 2.967
473 HH2 TRP 75 HH TRP 75 17.133 2.560 2.560
474 H THR 76 H THR 76 14.050 6.373 6.373
475 HA THR 76 HA THR 76 12.429 5.670 5.670
476 HB THR 76 HB THR 76 11.016 7.611 7.611
477 HG1 THR 76 1HG THR 76 11.106 8.433 8.433
478 H TRP 77 H TRP 77 10.259 5.030 5.030
479 HA TRP 77 HA TRP 77 9.984 3.557 3.557
480 1HB TRP 77 2HB TRP 77 8.653 3.590 3.590
481 2HB TRP 77 1HB TRP 77 7.601 3.207 3.207
482 HD1 TRP 77 HD TRP 77 10.188 1.720 1.720
483 HE1 TRP 77 1HE TRP 77 10.804 -0.648 -0.648
484 HE3 TRP 77 3HE TRP 77 7.928 1.750 1.750
485 HZ2 TRP 77 2HZ TRP 77 10.390 -2.307 -2.307
486 HZ3 TRP 77 3HZ TRP 77 8.054 -0.223 -0.223
487 HH2 TRP 77 HH TRP 77 9.281 -2.254 -2.254
488 H SER 78 H SER 78 7.402 3.603 3.603
489 HA SER 78 HA SER 78 7.075 5.917 5.917
490 1HB SER 78 2HB SER 78 4.762 5.150 5.150
491 2HB SER 78 1HB SER 78 5.902 3.815 3.815
492 HG SER 78 HG SER 78 3.845 3.771 3.771
493 H ASP 79 H ASP 79 5.931 5.094 5.094
494 HA ASP 79 HA ASP 79 5.478 7.887 7.887
495 1HB ASP 79 2HB ASP 79 3.317 7.011 7.011
496 2HB ASP 79 1HB ASP 79 3.141 6.021 6.021
497 H GLY 80 H GLY 80 7.158 5.618 5.618
498 1HA GLY 80 2HA GLY 80 7.976 4.715 4.715
499 2HA GLY 80 1HA GLY 80 7.218 6.087 6.087
500 H THR 81 H THR 81 5.275 3.850 3.850
501 HA THR 81 HA THR 81 4.051 2.957 2.957
502 HB THR 81 HB THR 81 2.428 2.135 2.135
503 HG1 THR 81 1HG THR 81 3.303 4.823 4.823
504 HA PRO 82 HA PRO 82 4.611 -1.200 -1.200
505 1HB PRO 82 2HB PRO 82 5.643 -1.339 -1.339
506 2HB PRO 82 1HB PRO 82 3.922 -1.114 -1.114
507 1HG PRO 82 2HG PRO 82 5.892 0.827 0.827
508 2HG PRO 82 1HG PRO 82 4.129 0.821 0.821
509 1HD PRO 82 2HD PRO 82 5.702 2.381 2.381
510 2HD PRO 82 1HD PRO 82 3.929 2.266 2.266
511 H MET 83 H MET 83 6.263 -2.637 -2.637
512 HA MET 83 HA MET 83 9.014 -2.012 -2.012
513 1HB MET 83 2HB MET 83 9.785 -2.175 -2.175
514 2HB MET 83 1HB MET 83 8.796 -0.746 -0.746
515 1HG MET 83 2HG MET 83 6.946 -1.623 -1.623
516 2HG MET 83 1HG MET 83 7.503 -3.287 -3.287
517 1HE MET 83 2HE MET 83 7.087 -0.335 -0.335
518 2HE MET 83 1HE MET 83 8.225 -0.320 -0.320
519 3HE MET 83 3HE MET 83 8.740 0.214 0.214
520 H ASN 84 H ASN 84 7.185 -4.091 -4.091
521 HA ASN 84 HA ASN 84 8.709 -6.393 -6.393
522 1HB ASN 84 2HB ASN 84 6.377 -7.642 -7.642
523 2HB ASN 84 1HB ASN 84 6.892 -6.799 -6.799
524 1HD2 ASN 84 1HD2 ASN 84 5.668 -5.232 -5.232
525 2HD2 ASN 84 2HD2 ASN 84 4.288 -4.577 -4.577
526 H PHE 85 H PHE 85 7.714 -8.445 -8.445
527 HA PHE 85 HA PHE 85 7.474 -9.510 -9.510
528 1HB PHE 85 2HB PHE 85 5.843 -7.331 -7.331
529 2HB PHE 85 1HB PHE 85 6.980 -7.087 -7.087
530 HD1 PHE 85 1HD PHE 85 7.644 -9.802 -9.802
531 HD2 PHE 85 2HD PHE 85 3.872 -8.188 -8.188
532 HE1 PHE 85 1HE PHE 85 6.457 -11.526 -11.526
533 HE2 PHE 85 2HE PHE 85 2.689 -9.915 -9.915
534 HZ PHE 85 HZ PHE 85 3.980 -11.583 -11.583
535 H ARG 86 H ARG 86 9.977 -8.351 -8.351
536 HA ARG 86 HA ARG 86 11.320 -7.831 -7.831
537 1HB ARG 86 2HB ARG 86 12.306 -7.168 -7.168
538 2HB ARG 86 1HB ARG 86 13.097 -6.749 -6.749
539 1HG ARG 86 2HG ARG 86 10.257 -5.906 -5.906
540 2HG ARG 86 1HG ARG 86 11.452 -5.046 -5.046
541 1HD ARG 86 2HD ARG 86 11.560 -3.785 -3.785
542 2HD ARG 86 1HD ARG 86 12.774 -5.002 -5.002
543 HE ARG 86 HE ARG 86 11.421 -5.549 -5.549
544 1HH1 ARG 86 1HH2 ARG 86 9.458 -3.899 -3.899
545 2HH1 ARG 86 2HH2 ARG 86 7.960 -4.407 -4.407
546 1HH2 ARG 86 1HH1 ARG 86 9.438 -6.442 -6.442
547 2HH2 ARG 86 2HH1 ARG 86 7.948 -5.838 -5.838
548 H SER 87 H SER 87 11.669 -9.947 -9.947
549 HA SER 87 HA SER 87 13.503 -11.491 -11.491
550 1HB SER 87 2HB SER 87 11.375 -12.517 -12.517
551 2HB SER 87 1HB SER 87 12.581 -13.534 -13.534
552 HG SER 87 HG SER 87 10.282 -12.780 -12.780
553 H TRP 88 H TRP 88 13.826 -9.515 -9.515
554 HA TRP 88 HA TRP 88 14.762 -10.856 -10.856
555 1HB TRP 88 2HB TRP 88 15.981 -8.838 -8.838
556 2HB TRP 88 1HB TRP 88 14.423 -8.392 -8.392
557 HD1 TRP 88 HD TRP 88 14.639 -7.987 -7.987
558 HE1 TRP 88 1HE TRP 88 16.425 -6.572 -6.572
559 HE3 TRP 88 3HE TRP 88 18.218 -7.857 -7.857
560 HZ2 TRP 88 2HZ TRP 88 19.032 -5.516 -5.516
561 HZ3 TRP 88 3HZ TRP 88 20.342 -6.639 -6.639
562 HH2 TRP 88 HH TRP 88 20.754 -5.467 -5.467
563 H CYS 89 H CYS 89 17.180 -10.692 -10.692
564 HA CYS 89 HA CYS 89 18.624 -12.606 -12.606
565 1HB CYS 89 2HB CYS 89 20.569 -11.916 -11.916
566 2HB CYS 89 1HB CYS 89 19.110 -12.277 -12.277
567 H SER 90 H SER 90 19.589 -12.424 -12.424
568 HA SER 90 HA SER 90 20.513 -9.765 -9.765
569 1HB SER 90 2HB SER 90 18.875 -11.001 -11.001
570 2HB SER 90 1HB SER 90 20.091 -12.256 -12.256
571 HG SER 90 HG SER 90 19.962 -9.669 -9.669
572 H THR 91 H THR 91 21.994 -11.509 -11.509
573 HA THR 91 HA THR 91 24.390 -12.007 -12.007
574 HB THR 91 HB THR 91 25.040 -13.616 -13.616
575 HG1 THR 91 1HG THR 91 23.417 -14.274 -14.274
576 H LYS 92 H LYS 92 23.452 -9.543 -9.543
577 HA LYS 92 HA LYS 92 25.933 -8.663 -8.663
578 1HB LYS 92 2HB LYS 92 25.107 -10.291 -10.291
579 2HB LYS 92 1HB LYS 92 24.013 -8.972 -8.972
580 1HG LYS 92 2HG LYS 92 26.092 -7.460 -7.460
581 2HG LYS 92 1HG LYS 92 27.033 -8.953 -8.953
582 1HD LYS 92 2HD LYS 92 25.371 -9.554 -9.554
583 2HD LYS 92 1HD LYS 92 25.305 -7.797 -7.797
584 1HE LYS 92 2HE LYS 92 27.986 -9.091 -9.091
585 2HE LYS 92 1HE LYS 92 27.181 -9.190 -9.190
586 1HZ LYS 92 2HZ LYS 92 26.815 -6.671 -6.671
587 2HZ LYS 92 1HZ LYS 92 28.112 -6.815 -6.815
588 3HZ LYS 92 3HZ LYS 92 28.328 -7.224 -7.224
589 HA PRO 93 HA PRO 93 23.287 -5.091 -5.091
590 1HB PRO 93 2HB PRO 93 25.249 -3.192 -3.192
591 2HB PRO 93 1HB PRO 93 24.939 -4.250 -4.250
592 1HG PRO 93 2HG PRO 93 27.168 -4.306 -4.306
593 2HG PRO 93 1HG PRO 93 27.095 -4.929 -4.929
594 1HD PRO 93 2HD PRO 93 26.870 -6.436 -6.436
595 2HD PRO 93 1HD PRO 93 26.632 -7.030 -7.030
596 H ASP 94 H ASP 94 22.866 -2.935 -2.935
597 HA ASP 94 HA ASP 94 23.460 -3.070 -3.070
598 1HB ASP 94 2HB ASP 94 20.943 -2.367 -2.367
599 2HB ASP 94 1HB ASP 94 21.250 -1.689 -1.689
600 H ASP 95 H ASP 95 24.594 -1.504 -1.504
601 HA ASP 95 HA ASP 95 25.579 0.533 0.533
602 1HB ASP 95 2HB ASP 95 25.249 0.501 0.501
603 2HB ASP 95 1HB ASP 95 25.799 1.972 1.972
604 H VAL 96 H VAL 96 24.686 2.129 2.129
605 HA VAL 96 HA VAL 96 21.980 2.853 2.853
606 HB VAL 96 HB VAL 96 22.597 4.785 4.785
607 H LEU 97 H LEU 97 24.861 4.314 4.314
608 HA LEU 97 HA LEU 97 23.414 6.548 6.548
609 1HB LEU 97 2HB LEU 97 26.168 5.758 5.758
610 2HB LEU 97 1HB LEU 97 25.860 6.161 6.161
611 HG LEU 97 HG LEU 97 26.560 8.158 8.158
612 1HD1 LEU 97 3HD1 LEU 97 24.672 8.131 8.131
613 2HD1 LEU 97 2HD1 LEU 97 23.615 8.528 8.528
614 3HD1 LEU 97 1HD1 LEU 97 24.951 9.599 9.599
615 1HD2 LEU 97 3HD2 LEU 97 25.457 7.189 7.189
616 2HD2 LEU 97 2HD2 LEU 97 25.466 8.936 8.936
617 3HD2 LEU 97 1HD2 LEU 97 24.005 8.006 8.006
618 H ALA 98 H ALA 98 24.681 3.469 3.469
619 HA ALA 98 HA ALA 98 23.948 3.878 3.878
620 1HB ALA 98 3HB ALA 98 25.550 2.097 2.097
621 2HB ALA 98 2HB ALA 98 24.094 1.110 1.110
622 3HB ALA 98 1HB ALA 98 24.820 1.803 1.803
623 H ALA 99 H ALA 99 22.023 3.282 3.282
624 HA ALA 99 HA ALA 99 19.786 2.514 2.514
625 1HB ALA 99 3HB ALA 99 20.812 1.035 1.035
626 2HB ALA 99 2HB ALA 99 19.062 1.164 1.164
627 3HB ALA 99 1HB ALA 99 20.023 0.425 0.425
628 H CYS 100 H CYS 100 18.070 3.756 3.756
629 HA CYS 100 HA CYS 100 17.856 5.324 5.324
630 1HB CYS 100 2HB CYS 100 18.431 6.655 6.655
631 2HB CYS 100 1HB CYS 100 16.886 6.159 6.159
632 H CYS 101 H CYS 101 15.803 4.373 4.373
633 HA CYS 101 HA CYS 101 13.467 4.230 4.230
634 1HB CYS 101 2HB CYS 101 13.918 3.673 3.673
635 2HB CYS 101 1HB CYS 101 12.374 3.346 3.346
636 H MET 102 H MET 102 12.067 2.230 2.230
637 HA MET 102 HA MET 102 13.691 -0.237 -0.237
638 1HB MET 102 2HB MET 102 12.066 0.839 0.839
639 2HB MET 102 1HB MET 102 12.226 -0.903 -0.903
640 1HG MET 102 2HG MET 102 14.803 -0.242 -0.242
641 2HG MET 102 1HG MET 102 14.303 1.122 1.122
642 1HE MET 102 3HE MET 102 13.997 1.185 1.185
643 2HE MET 102 2HE MET 102 14.551 -0.067 -0.067
644 3HE MET 102 1HE MET 102 15.660 0.591 0.591
645 H GLN 103 H GLN 103 12.575 -2.139 -2.139
646 HA GLN 103 HA GLN 103 9.709 -1.984 -1.984
647 1HB GLN 103 2HB GLN 103 9.885 -2.681 -2.681
648 2HB GLN 103 1HB GLN 103 10.975 -1.314 -1.314
649 1HG GLN 103 2HG GLN 103 11.810 -4.237 -4.237
650 2HG GLN 103 1HG GLN 103 12.024 -3.127 -3.127
651 H MET 104 H MET 104 9.770 -4.566 -4.566
652 HA MET 104 HA MET 104 11.191 -6.491 -6.491
653 1HB MET 104 2HB MET 104 9.266 -7.458 -7.458
654 2HB MET 104 1HB MET 104 9.955 -5.956 -5.956
655 1HG MET 104 2HG MET 104 8.122 -4.769 -4.769
656 2HG MET 104 1HG MET 104 7.361 -6.355 -6.355
657 1HE MET 104 1HE MET 104 6.006 -7.318 -7.318
658 2HE MET 104 3HE MET 104 5.398 -6.774 -6.774
659 3HE MET 104 2HE MET 104 5.080 -5.824 -5.824
660 H THR 105 H THR 105 10.412 -6.067 -6.067
661 HA THR 105 HA THR 105 9.376 -8.716 -8.716
662 HB THR 105 HB THR 105 7.845 -7.592 -7.592
663 HG1 THR 105 1HG THR 105 6.996 -5.656 -5.656
664 H ALA 106 H ALA 106 11.881 -7.075 -7.075
665 HA ALA 106 HA ALA 106 12.947 -8.253 -8.253
666 1HB ALA 106 2HB ALA 106 11.374 -5.817 -5.817
667 2HB ALA 106 1HB ALA 106 12.946 -6.018 -6.018
668 3HB ALA 106 3HB ALA 106 11.706 -7.260 -7.260
669 H ALA 107 H ALA 107 14.248 -7.966 -7.966
670 HA ALA 107 HA ALA 107 15.516 -5.422 -5.422
671 1HB ALA 107 3HB ALA 107 16.200 -8.181 -8.181
672 2HB ALA 107 2HB ALA 107 17.041 -6.711 -6.711
673 3HB ALA 107 1HB ALA 107 15.327 -6.911 -6.911
674 H ALA 108 H ALA 108 17.366 -8.419 -8.419
675 HA ALA 108 HA ALA 108 18.409 -7.853 -7.853
676 1HB ALA 108 1HB ALA 108 19.916 -6.489 -6.489
677 2HB ALA 108 3HB ALA 108 20.734 -6.999 -6.999
678 3HB ALA 108 2HB ALA 108 19.414 -5.831 -5.831
679 H ASP 109 H ASP 109 18.981 -9.173 -9.173
680 HA ASP 109 HA ASP 109 20.507 -11.378 -11.378
681 1HB ASP 109 2HB ASP 109 20.865 -10.001 -10.001
682 2HB ASP 109 1HB ASP 109 21.305 -11.700 -11.700
683 H GLN 110 H GLN 110 17.772 -11.073 -11.073
684 HA GLN 110 HA GLN 110 15.860 -12.145 -12.145
685 1HB GLN 110 2HB GLN 110 17.801 -14.147 -14.147
686 2HB GLN 110 1HB GLN 110 16.058 -14.398 -14.398
687 1HG GLN 110 2HG GLN 110 16.111 -13.890 -13.890
688 2HG GLN 110 1HG GLN 110 17.827 -14.275 -14.275
689 H CYS 111 H CYS 111 16.839 -10.070 -10.070
690 HA CYS 111 HA CYS 111 15.878 -10.914 -10.914
691 1HB CYS 111 2HB CYS 111 17.292 -8.329 -8.329
692 2HB CYS 111 1HB CYS 111 16.989 -8.984 -8.984
693 H TRP 112 H TRP 112 14.710 -8.996 -8.996
694 HA TRP 112 HA TRP 112 12.864 -7.672 -7.672
695 1HB TRP 112 2HB TRP 112 11.883 -8.970 -8.970
696 2HB TRP 112 1HB TRP 112 10.934 -8.357 -8.357
697 HD1 TRP 112 HD TRP 112 12.066 -11.486 -11.486
698 HE1 TRP 112 1HE TRP 112 12.059 -13.372 -13.372
699 HE3 TRP 112 3HE TRP 112 11.636 -8.715 -8.715
700 HZ2 TRP 112 2HZ TRP 112 11.892 -13.667 -13.667
701 HZ3 TRP 112 3HZ TRP 112 11.556 -9.825 -9.825
702 HH2 TRP 112 HH TRP 112 11.683 -12.295 -12.295
703 H ASP 113 H ASP 113 14.337 -5.874 -5.874
704 HA ASP 113 HA ASP 113 13.287 -3.910 -3.910
705 1HB ASP 113 2HB ASP 113 14.552 -5.888 -5.888
706 2HB ASP 113 1HB ASP 113 15.252 -4.283 -4.283
707 H ASP 114 H ASP 114 14.651 -2.098 -2.098
708 HA ASP 114 HA ASP 114 16.376 -0.666 -0.666
709 1HB ASP 114 2HB ASP 114 18.058 -3.090 -3.090
710 2HB ASP 114 1HB ASP 114 18.628 -1.474 -1.474
711 H LEU 115 H LEU 115 16.569 0.600 0.600
712 HA LEU 115 HA LEU 115 17.354 -0.225 -0.225
713 1HB LEU 115 2HB LEU 115 14.490 0.358 0.358
714 2HB LEU 115 1HB LEU 115 15.170 1.146 1.146
715 HG LEU 115 HG LEU 115 15.291 -1.840 -1.840
716 1HD1 LEU 115 2HD1 LEU 115 13.021 -0.637 -0.637
717 2HD1 LEU 115 1HD1 LEU 115 13.703 -0.546 -0.546
718 3HD1 LEU 115 3HD1 LEU 115 13.466 -2.114 -2.114
719 1HD2 LEU 115 2HD2 LEU 115 16.039 -0.178 -0.178
720 2HD2 LEU 115 1HD2 LEU 115 17.154 -1.079 -1.079
721 3HD2 LEU 115 3HD2 LEU 115 15.979 -1.935 -1.935
722 HA PRO 116 HA PRO 116 18.587 4.020 4.020
723 1HB PRO 116 2HB PRO 116 18.634 4.763 4.763
724 2HB PRO 116 1HB PRO 116 19.798 3.649 3.649
725 1HG PRO 116 2HG PRO 116 17.605 3.084 3.084
726 2HG PRO 116 1HG PRO 116 19.055 2.136 2.136
727 1HD PRO 116 2HD PRO 116 16.390 1.689 1.689
728 2HD PRO 116 1HD PRO 116 17.859 0.771 0.771
729 H CYS 117 H CYS 117 15.567 3.428 3.428
730 HA CYS 117 HA CYS 117 13.596 4.688 4.688
731 1HB CYS 117 2HB CYS 117 15.364 7.107 7.107
732 2HB CYS 117 1HB CYS 117 13.611 7.185 7.185
733 HA PRO 118 HA PRO 118 13.566 6.174 6.174
734 1HB PRO 118 2HB PRO 118 15.855 5.995 5.995
735 2HB PRO 118 1HB PRO 118 15.384 7.431 7.431
736 1HG PRO 118 2HG PRO 118 17.482 5.429 5.429
737 2HG PRO 118 1HG PRO 118 17.370 7.123 7.123
738 1HD PRO 118 2HD PRO 118 16.780 4.856 4.856
739 2HD PRO 118 1HD PRO 118 16.421 6.552 6.552
740 H ALA 119 H ALA 119 12.459 4.102 4.102
741 HA ALA 119 HA ALA 119 13.420 2.194 2.194
742 1HB ALA 119 1HB ALA 119 13.862 1.590 1.590
743 2HB ALA 119 3HB ALA 119 12.253 0.912 0.912
744 3HB ALA 119 2HB ALA 119 13.591 0.386 0.386
745 H SER 120 H SER 120 11.575 4.141 4.141
746 HA SER 120 HA SER 120 9.012 4.130 4.130
747 1HB SER 120 2HB SER 120 8.452 4.681 4.681
748 2HB SER 120 1HB SER 120 9.853 5.554 5.554
749 HG SER 120 HG SER 120 10.785 4.745 4.745
750 H HIS 121 H HIS 121 8.243 2.142 2.142
751 HA HIS 121 HA HIS 121 7.490 0.257 0.257
752 1HB HIS 121 2HB HIS 121 8.391 -0.134 -0.134
753 2HB HIS 121 1HB HIS 121 7.207 -1.256 -1.256
754 HD1 HIS 121 1HD HIS 121 10.764 -0.722 -0.722
755 HD2 HIS 121 2HD HIS 121 8.190 -2.323 -2.323
756 HE1 HIS 121 1HE HIS 121 12.203 -2.086 -2.086
757 H LYS 122 H LYS 122 5.545 -1.158 -1.158
758 HA LYS 122 HA LYS 122 3.262 0.438 0.438
759 1HB LYS 122 2HB LYS 122 2.068 -1.497 -1.497
760 2HB LYS 122 1HB LYS 122 3.115 -1.967 -1.967
761 1HG LYS 122 2HG LYS 122 4.681 -2.974 -2.974
762 2HG LYS 122 1HG LYS 122 4.228 -1.982 -1.982
763 1HD LYS 122 2HD LYS 122 2.543 -3.383 -3.383
764 2HD LYS 122 1HD LYS 122 2.075 -3.723 -3.723
765 1HE LYS 122 2HE LYS 122 2.975 -5.775 -5.775
766 2HE LYS 122 1HE LYS 122 4.453 -4.965 -4.965
767 1HZ LYS 122 3HZ LYS 122 4.856 -4.346 -4.346
768 2HZ LYS 122 2HZ LYS 122 3.468 -5.203 -5.203
769 3HZ LYS 122 1HZ LYS 122 4.791 -6.029 -6.029
770 H SER 123 H SER 123 1.586 0.195 0.195
771 HA SER 123 HA SER 123 2.935 1.131 1.131
772 1HB SER 123 2HB SER 123 2.083 3.129 3.129
773 2HB SER 123 1HB SER 123 0.542 2.357 2.357
774 HG SER 123 HG SER 123 1.598 2.759 2.759
775 H VAL 124 H VAL 124 1.930 0.604 0.604
776 HA VAL 124 HA VAL 124 -0.392 -1.217 -1.217
777 HB VAL 124 HB VAL 124 1.965 -1.544 -1.544
778 H CYS 125 H CYS 125 -2.050 -0.392 -0.392
779 HA CYS 125 HA CYS 125 -1.465 1.376 1.376
780 1HB CYS 125 2HB CYS 125 -3.730 1.484 1.484
781 2HB CYS 125 1HB CYS 125 -3.677 2.441 2.441
782 H ALA 126 H ALA 126 -2.428 1.024 1.024
783 HA ALA 126 HA ALA 126 -4.544 -1.038 -1.038
784 1HB ALA 126 3HB ALA 126 -2.331 -1.977 -1.977
785 2HB ALA 126 2HB ALA 126 -2.227 -0.719 -0.719
786 3HB ALA 126 1HB ALA 126 -3.507 -1.927 -1.927
787 H MET 127 H MET 127 -6.192 -0.497 -0.497
788 HA MET 127 HA MET 127 -5.862 1.936 1.936
789 1HB MET 127 2HB MET 127 -8.528 1.396 1.396
790 2HB MET 127 1HB MET 127 -7.820 2.920 2.920
791 1HG MET 127 2HG MET 127 -6.573 1.451 1.451
792 2HG MET 127 1HG MET 127 -8.070 2.331 2.331
793 1HE MET 127 2HE MET 127 -4.852 2.137 2.137
794 2HE MET 127 1HE MET 127 -4.454 3.744 3.744
795 3HE MET 127 3HE MET 127 -3.946 3.248 3.248
796 H THR 128 H THR 128 -7.609 2.150 2.150
797 HA THR 128 HA THR 128 -8.895 -0.354 -0.354
798 HB THR 128 HB THR 128 -6.732 -0.568 -0.568
799 HG1 THR 128 1HG THR 128 -7.481 -0.531 -0.531
800 H PHE 129 H PHE 129 -10.119 0.066 0.066
801 HA PHE 129 HA PHE 129 -11.071 2.846 2.846
802 1HB PHE 129 2HB PHE 129 -13.429 2.013 2.013
803 2HB PHE 129 1HB PHE 129 -12.652 1.802 1.802
804 HD1 PHE 129 1HD PHE 129 -13.742 0.075 0.075
805 HD2 PHE 129 2HD PHE 129 -12.135 -0.389 -0.389
806 HE1 PHE 129 1HE PHE 129 -14.164 -2.366 -2.366
807 HE2 PHE 129 2HE PHE 129 -12.557 -2.830 -2.830
808 HZ PHE 129 HZ PHE 129 -13.572 -3.819 -3.819