Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
478238 | 1xpv RC | 6363 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1H MET 1 12.062 -1.872 2.836
2 HA MET 1 HA MET 1 12.984 -1.070 0.860
3 1HB MET 1 1HB MET 1 12.356 -4.002 1.084
4 2HB MET 1 2HB MET 1 12.949 -3.489 -0.484
5 1HG MET 1 1HG MET 1 14.764 -2.195 1.065
6 2HG MET 1 2HG MET 1 14.361 -3.490 2.174
7 1HE MET 1 1HE MET 1 17.262 -4.287 1.660
8 2HE MET 1 2HE MET 1 17.743 -4.033 -0.034
9 3HE MET 1 3HE MET 1 16.992 -2.707 0.886
10 H ALA 2 H ALA 2 10.017 -3.051 0.185
11 HA ALA 2 HA ALA 2 9.817 -1.813 -2.435
12 1HB ALA 2 1HB ALA 2 9.480 -4.263 -2.121
13 2HB ALA 2 2HB ALA 2 8.087 -3.914 -1.068
14 3HB ALA 2 3HB ALA 2 8.040 -3.456 -2.788
15 H LEU 3 H LEU 3 6.715 -2.385 -1.857
16 HA LEU 3 HA LEU 3 6.151 0.366 -1.337
17 1HB LEU 3 1HB LEU 3 4.420 -2.060 -1.807
18 2HB LEU 3 2HB LEU 3 3.774 -0.456 -1.524
19 HG LEU 3 HG LEU 3 5.730 -0.990 -3.760
20 1HD1 LEU 3 1HD1 LEU 3 4.248 -2.171 -4.907
21 2HD1 LEU 3 2HD1 LEU 3 3.110 -2.096 -3.539
22 3HD1 LEU 3 3HD1 LEU 3 3.082 -0.831 -4.791
23 1HD2 LEU 3 1HD2 LEU 3 3.966 1.257 -2.922
24 2HD2 LEU 3 2HD2 LEU 3 5.591 1.275 -3.648
25 3HD2 LEU 3 3HD2 LEU 3 4.164 0.969 -4.667
26 H THR 4 H THR 4 4.126 0.707 0.286
27 HA THR 4 HA THR 4 4.338 -0.882 2.675
28 HB THR 4 HB THR 4 5.220 2.047 2.753
29 HG1 THR 4 HG1 THR 4 7.344 0.876 3.088
30 1HG2 THR 4 1HG2 THR 4 4.672 -0.045 4.762
31 2HG2 THR 4 2HG2 THR 4 6.347 0.550 4.855
32 3HG2 THR 4 3HG2 THR 4 4.988 1.689 5.006
33 H LEU 5 H LEU 5 2.247 -1.220 3.085
34 HA LEU 5 HA LEU 5 0.470 1.098 2.771
35 1HB LEU 5 1HB LEU 5 -0.262 -0.443 1.219
36 2HB LEU 5 2HB LEU 5 0.121 -1.821 2.231
37 HG LEU 5 HG LEU 5 -1.793 -0.855 3.768
38 1HD1 LEU 5 1HD1 LEU 5 -2.143 0.616 1.198
39 2HD1 LEU 5 2HD1 LEU 5 -3.599 0.000 2.015
40 3HD1 LEU 5 3HD1 LEU 5 -2.503 1.113 2.869
41 1HD2 LEU 5 1HD2 LEU 5 -1.614 -2.858 1.794
42 2HD2 LEU 5 2HD2 LEU 5 -2.772 -2.743 3.141
43 3HD2 LEU 5 3HD2 LEU 5 -3.184 -2.055 1.552
44 H TYR 6 H TYR 6 0.361 2.049 4.759
45 HA TYR 6 HA TYR 6 0.618 0.582 7.158
46 1HB TYR 6 1HB TYR 6 -0.477 3.337 6.329
47 2HB TYR 6 2HB TYR 6 -0.304 2.882 8.013
48 HD1 TYR 6 HD1 TYR 6 1.972 2.503 8.980
49 HD2 TYR 6 HD2 TYR 6 1.422 4.004 5.011
50 HE1 TYR 6 HE1 TYR 6 4.383 3.307 8.942
51 HE2 TYR 6 HE2 TYR 6 3.835 4.803 4.987
52 HH TYR 6 HH TYR 6 6.052 3.918 7.518
53 H GLN 7 H GLN 7 -0.900 -0.250 8.574
54 HA GLN 7 HA GLN 7 -3.679 0.240 7.904
55 1HB GLN 7 1HB GLN 7 -4.212 -2.176 8.149
56 2HB GLN 7 2HB GLN 7 -3.136 -1.880 6.798
57 1HG GLN 7 1HG GLN 7 -1.182 -2.562 8.143
58 2HG GLN 7 2HG GLN 7 -2.182 -2.731 9.572
59 1HE2 GLN 7 1HE2 GLN 7 -4.245 -4.112 9.107
60 2HE2 GLN 7 2HE2 GLN 7 -3.962 -5.645 8.352
61 H ARG 8 H ARG 8 -5.157 -0.647 9.756
62 HA ARG 8 HA ARG 8 -3.703 -0.582 12.262
63 1HB ARG 8 1HB ARG 8 -5.241 1.030 13.238
64 2HB ARG 8 2HB ARG 8 -4.662 1.716 11.733
65 1HG ARG 8 1HG ARG 8 -6.725 0.977 10.568
66 2HG ARG 8 2HG ARG 8 -7.297 0.197 12.029
67 1HD ARG 8 1HD ARG 8 -6.623 2.914 12.717
68 2HD ARG 8 2HD ARG 8 -7.577 2.969 11.248
69 HE ARG 8 HE ARG 8 -8.480 2.041 13.895
70 1HH1 ARG 8 2HH2 ARG 8 -9.140 2.116 10.439
71 2HH1 ARG 8 1HH2 ARG 8 -10.832 1.794 10.626
72 1HH2 ARG 8 2HH1 ARG 8 -10.711 1.617 14.142
73 2HH2 ARG 8 1HH1 ARG 8 -11.732 1.509 12.747
74 H ASP 9 H ASP 9 -5.462 -1.096 14.147
75 HA ASP 9 HA ASP 9 -6.227 -3.621 13.918
76 1HB ASP 9 1HB ASP 9 -7.073 -1.309 15.567
77 2HB ASP 9 2HB ASP 9 -8.301 -2.554 15.465
78 H ASP 10 H ASP 10 -8.474 -4.641 13.696
79 HA ASP 10 HA ASP 10 -10.329 -5.014 12.636
80 1HB ASP 10 1HB ASP 10 -11.062 -2.843 13.724
81 2HB ASP 10 2HB ASP 10 -10.565 -1.989 12.277
82 H CYS 11 H CYS 11 -10.987 -5.419 10.417
83 HA CYS 11 HA CYS 11 -9.257 -4.128 8.433
84 1HB CYS 11 1HB CYS 11 -10.019 -6.985 8.826
85 2HB CYS 11 2HB CYS 11 -9.941 -6.409 7.173
86 HG CYS 11 HG CYS 11 -7.557 -5.608 7.125
87 H HIS 12 H HIS 12 -10.385 -2.859 6.998
88 HA HIS 12 HA HIS 12 -12.772 -3.668 5.820
89 1HB HIS 12 1HB HIS 12 -13.796 -3.266 7.980
90 2HB HIS 12 2HB HIS 12 -13.090 -1.664 8.068
91 HD1 HIS 12 HD1 HIS 12 -14.423 0.242 7.078
92 HD2 HIS 12 HD2 HIS 12 -15.822 -3.518 5.852
93 HE1 HIS 12 HE1 HIS 12 -16.591 0.668 5.802
94 H LEU 13 H LEU 13 -11.385 -0.547 7.084
95 HA LEU 13 HA LEU 13 -11.775 0.757 4.611
96 1HB LEU 13 1HB LEU 13 -11.700 1.814 6.867
97 2HB LEU 13 2HB LEU 13 -9.973 1.520 6.911
98 HG LEU 13 HG LEU 13 -9.842 2.894 4.743
99 1HD1 LEU 13 1HD1 LEU 13 -12.545 2.750 4.746
100 2HD1 LEU 13 2HD1 LEU 13 -12.305 4.327 5.537
101 3HD1 LEU 13 3HD1 LEU 13 -11.611 4.024 3.926
102 1HD2 LEU 13 1HD2 LEU 13 -9.091 3.635 7.001
103 2HD2 LEU 13 2HD2 LEU 13 -9.645 4.959 5.949
104 3HD2 LEU 13 3HD2 LEU 13 -10.698 4.358 7.252
105 H CYS 14 H CYS 14 -8.961 -0.843 6.204
106 HA CYS 14 HA CYS 14 -7.208 -0.158 4.080
107 1HB CYS 14 1HB CYS 14 -5.607 -1.635 5.214
108 2HB CYS 14 2HB CYS 14 -6.347 -0.508 6.333
109 HG CYS 14 HG CYS 14 -7.112 -2.122 7.875
110 H ASP 15 H ASP 15 -9.543 -2.706 4.828
111 HA ASP 15 HA ASP 15 -8.560 -4.770 3.353
112 1HB ASP 15 1HB ASP 15 -10.781 -4.410 4.813
113 2HB ASP 15 2HB ASP 15 -11.510 -4.113 3.247
114 H GLN 16 H GLN 16 -10.859 -2.114 2.371
115 HA GLN 16 HA GLN 16 -11.128 -2.889 -0.250
116 1HB GLN 16 1HB GLN 16 -11.576 -0.394 1.325
117 2HB GLN 16 2HB GLN 16 -11.437 -0.171 -0.407
118 1HG GLN 16 1HG GLN 16 -13.113 -2.274 -0.467
119 2HG GLN 16 2HG GLN 16 -13.507 -1.720 1.148
120 1HE2 GLN 16 1HE2 GLN 16 -14.894 -0.124 1.400
121 2HE2 GLN 16 2HE2 GLN 16 -15.493 0.932 0.164
122 H ALA 17 H ALA 17 -8.573 -1.024 1.401
123 HA ALA 17 HA ALA 17 -7.373 0.060 -0.884
124 1HB ALA 17 1HB ALA 17 -5.915 -0.768 1.640
125 2HB ALA 17 2HB ALA 17 -5.608 0.631 0.584
126 3HB ALA 17 3HB ALA 17 -7.050 0.602 1.625
127 H VAL 18 H VAL 18 -6.740 -2.989 0.979
128 HA VAL 18 HA VAL 18 -4.636 -3.873 -0.598
129 HB VAL 18 HB VAL 18 -6.718 -5.353 1.016
130 1HG1 VAL 18 1HG1 VAL 18 -4.424 -6.926 0.938
131 2HG1 VAL 18 2HG1 VAL 18 -5.947 -7.230 0.069
132 3HG1 VAL 18 3HG1 VAL 18 -4.618 -6.369 -0.741
133 1HG2 VAL 18 1HG2 VAL 18 -5.535 -4.798 2.828
134 2HG2 VAL 18 2HG2 VAL 18 -4.010 -5.311 2.067
135 3HG2 VAL 18 3HG2 VAL 18 -4.626 -3.662 1.803
136 H GLU 19 H GLU 19 -8.183 -4.043 -1.033
137 HA GLU 19 HA GLU 19 -8.194 -5.944 -3.029
138 1HB GLU 19 1HB GLU 19 -10.081 -4.385 -1.696
139 2HB GLU 19 2HB GLU 19 -10.207 -3.802 -3.344
140 1HG GLU 19 1HG GLU 19 -10.009 -6.746 -3.211
141 2HG GLU 19 2HG GLU 19 -11.390 -6.132 -2.322
142 H ALA 20 H ALA 20 -7.963 -2.332 -3.200
143 HA ALA 20 HA ALA 20 -7.928 -2.186 -5.993
144 1HB ALA 20 1HB ALA 20 -6.458 -0.015 -5.050
145 2HB ALA 20 2HB ALA 20 -8.225 -0.076 -5.248
146 3HB ALA 20 3HB ALA 20 -7.493 -0.447 -3.669
147 H LEU 21 H LEU 21 -5.378 -2.718 -3.524
148 HA LEU 21 HA LEU 21 -3.204 -2.374 -5.256
149 1HB LEU 21 1HB LEU 21 -3.714 -3.270 -2.540
150 2HB LEU 21 2HB LEU 21 -2.441 -4.204 -3.300
151 HG LEU 21 HG LEU 21 -2.311 -1.225 -3.527
152 1HD1 LEU 21 1HD1 LEU 21 -2.146 -2.746 -0.975
153 2HD1 LEU 21 2HD1 LEU 21 -0.911 -1.498 -1.267
154 3HD1 LEU 21 3HD1 LEU 21 -2.638 -1.064 -1.287
155 1HD2 LEU 21 1HD2 LEU 21 -0.414 -1.871 -4.502
156 2HD2 LEU 21 2HD2 LEU 21 0.177 -2.235 -2.863
157 3HD2 LEU 21 3HD2 LEU 21 -0.543 -3.524 -3.856
158 H ALA 22 H ALA 22 -4.883 -5.388 -4.111
159 HA ALA 22 HA ALA 22 -3.424 -7.151 -5.658
160 1HB ALA 22 1HB ALA 22 -4.836 -8.657 -4.727
161 2HB ALA 22 2HB ALA 22 -5.492 -7.268 -3.827
162 3HB ALA 22 3HB ALA 22 -6.281 -7.809 -5.328
163 H GLN 23 H GLN 23 -6.467 -5.339 -6.412
164 HA GLN 23 HA GLN 23 -6.879 -6.483 -8.879
165 1HB GLN 23 1HB GLN 23 -7.669 -3.864 -7.599
166 2HB GLN 23 2HB GLN 23 -8.025 -4.117 -9.296
167 1HG GLN 23 1HG GLN 23 -8.814 -6.530 -8.042
168 2HG GLN 23 2HG GLN 23 -9.332 -5.273 -6.936
169 1HE2 GLN 23 1HE2 GLN 23 -11.472 -5.964 -7.492
170 2HE2 GLN 23 2HE2 GLN 23 -12.260 -5.360 -8.912
171 H ALA 24 H ALA 24 -4.993 -3.546 -7.926
172 HA ALA 24 HA ALA 24 -4.304 -2.841 -10.566
173 1HB ALA 24 1HB ALA 24 -4.219 -1.186 -8.837
174 2HB ALA 24 2HB ALA 24 -3.157 -2.196 -7.828
175 3HB ALA 24 3HB ALA 24 -2.535 -1.478 -9.333
176 H ARG 25 H ARG 25 -3.420 -5.492 -8.589
177 HA ARG 25 HA ARG 25 -1.957 -7.069 -8.784
178 1HB ARG 25 1HB ARG 25 -1.916 -5.896 -11.545
179 2HB ARG 25 2HB ARG 25 -0.565 -6.939 -11.148
180 1HG ARG 25 1HG ARG 25 -3.062 -8.139 -10.217
181 2HG ARG 25 2HG ARG 25 -3.188 -7.733 -11.917
182 1HD ARG 25 1HD ARG 25 -0.674 -8.840 -11.883
183 2HD ARG 25 2HD ARG 25 -1.416 -9.734 -10.571
184 HE ARG 25 HE ARG 25 -1.978 -10.061 -13.378
185 1HH1 ARG 25 2HH2 ARG 25 -3.560 -10.091 -10.235
186 2HH1 ARG 25 1HH2 ARG 25 -4.827 -11.158 -10.740
187 1HH2 ARG 25 2HH1 ARG 25 -3.650 -11.469 -14.046
188 2HH2 ARG 25 1HH1 ARG 25 -4.879 -11.947 -12.922
189 H ALA 26 H ALA 26 -1.157 -4.694 -7.415
190 HA ALA 26 HA ALA 26 1.222 -3.559 -8.166
191 1HB ALA 26 1HB ALA 26 1.266 -2.723 -6.004
192 2HB ALA 26 2HB ALA 26 -0.443 -3.208 -6.128
193 3HB ALA 26 3HB ALA 26 0.721 -4.257 -5.284
194 H GLY 27 H GLY 27 0.825 -6.363 -5.876
195 1HA GLY 27 1HA GLY 27 2.239 -8.323 -6.617
196 2HA GLY 27 2HA GLY 27 3.569 -7.182 -6.605
197 H ALA 28 H ALA 28 4.817 -7.885 -4.884
198 HA ALA 28 HA ALA 28 3.453 -8.457 -2.372
199 1HB ALA 28 1HB ALA 28 6.141 -9.058 -3.587
200 2HB ALA 28 2HB ALA 28 5.971 -9.060 -1.815
201 3HB ALA 28 3HB ALA 28 4.978 -10.156 -2.805
202 H PHE 29 H PHE 29 4.212 -7.454 -0.356
203 HA PHE 29 HA PHE 29 5.936 -5.198 -0.507
204 1HB PHE 29 1HB PHE 29 4.031 -3.617 0.226
205 2HB PHE 29 2HB PHE 29 3.932 -4.137 -1.445
206 HD1 PHE 29 HD1 PHE 29 2.192 -5.673 -2.170
207 HD2 PHE 29 HD2 PHE 29 2.437 -4.427 1.879
208 HE1 PHE 29 HE1 PHE 29 -0.133 -6.528 -1.767
209 HE2 PHE 29 HE2 PHE 29 0.112 -5.282 2.283
210 HZ PHE 29 HZ PHE 29 -1.145 -6.322 0.455
211 H PHE 30 H PHE 30 5.493 -3.849 1.751
212 HA PHE 30 HA PHE 30 5.312 -5.958 3.785
213 1HB PHE 30 1HB PHE 30 6.805 -3.266 3.692
214 2HB PHE 30 2HB PHE 30 6.869 -4.379 5.044
215 HD1 PHE 30 HD1 PHE 30 7.710 -4.067 1.443
216 HD2 PHE 30 HD2 PHE 30 8.442 -6.119 5.084
217 HE1 PHE 30 HE1 PHE 30 9.672 -5.229 0.394
218 HE2 PHE 30 HE2 PHE 30 10.404 -7.281 4.036
219 HZ PHE 30 HZ PHE 30 10.996 -6.822 1.703
220 H SER 31 H SER 31 3.969 -5.660 5.558
221 HA SER 31 HA SER 31 2.298 -3.293 5.382
222 1HB SER 31 1HB SER 31 1.836 -6.101 6.020
223 2HB SER 31 2HB SER 31 1.260 -5.088 7.329
224 HG SER 31 HG SER 31 0.476 -5.046 4.554
225 H VAL 32 H VAL 32 2.037 -1.876 7.171
226 HA VAL 32 HA VAL 32 3.726 -2.485 9.494
227 HB VAL 32 HB VAL 32 3.450 0.148 8.031
228 1HG1 VAL 32 1HG1 VAL 32 4.378 1.235 9.773
229 2HG1 VAL 32 2HG1 VAL 32 3.802 -0.150 10.732
230 3HG1 VAL 32 3HG1 VAL 32 5.485 -0.107 10.151
231 1HG2 VAL 32 1HG2 VAL 32 5.045 -1.930 7.317
232 2HG2 VAL 32 2HG2 VAL 32 5.458 -0.219 7.052
233 3HG2 VAL 32 3HG2 VAL 32 6.111 -1.084 8.464
234 H PHE 33 H PHE 33 2.716 -2.257 11.446
235 HA PHE 33 HA PHE 33 -0.050 -1.364 11.332
236 1HB PHE 33 1HB PHE 33 1.662 -2.672 13.531
237 2HB PHE 33 2HB PHE 33 -0.079 -2.487 13.597
238 HD1 PHE 33 HD1 PHE 33 2.670 -4.450 12.289
239 HD2 PHE 33 HD2 PHE 33 -1.523 -3.825 12.086
240 HE1 PHE 33 HE1 PHE 33 2.390 -6.686 11.184
241 HE2 PHE 33 HE2 PHE 33 -1.802 -6.061 10.981
242 HZ PHE 33 HZ PHE 33 0.157 -7.465 10.543
243 H ILE 34 H ILE 34 -0.685 0.603 12.084
244 HA ILE 34 HA ILE 34 1.308 2.276 13.320
245 HB ILE 34 HB ILE 34 -0.241 4.048 12.991
246 1HG1 ILE 34 1HG1 ILE 34 -2.410 2.334 11.881
247 2HG1 ILE 34 2HG1 ILE 34 -2.227 2.345 13.624
248 1HG2 ILE 34 1HG2 ILE 34 -0.951 3.340 10.466
249 2HG2 ILE 34 2HG2 ILE 34 0.672 3.893 10.944
250 3HG2 ILE 34 3HG2 ILE 34 0.330 2.152 10.803
251 1HD1 ILE 34 1HD1 ILE 34 -3.797 4.120 12.799
252 2HD1 ILE 34 2HD1 ILE 34 -2.409 4.795 13.686
253 3HD1 ILE 34 3HD1 ILE 34 -2.446 4.861 11.908
254 H ASP 35 H ASP 35 -1.179 0.070 14.297
255 HA ASP 35 HA ASP 35 -1.895 1.376 16.672
256 1HB ASP 35 1HB ASP 35 -3.351 -0.330 15.754
257 2HB ASP 35 2HB ASP 35 -2.058 -1.512 15.719
258 H ASP 36 H ASP 36 0.395 1.937 17.395
259 HA ASP 36 HA ASP 36 1.234 0.417 19.454
260 1HB ASP 36 1HB ASP 36 3.435 -0.506 18.490
261 2HB ASP 36 2HB ASP 36 1.976 -1.385 18.079
262 H ASP 37 H ASP 37 2.054 2.478 16.651
263 HA ASP 37 HA ASP 37 3.936 3.915 18.350
264 1HB ASP 37 1HB ASP 37 3.826 3.304 15.419
265 2HB ASP 37 2HB ASP 37 4.387 4.911 15.835
266 H ALA 38 H ALA 38 2.787 5.648 19.252
267 HA ALA 38 HA ALA 38 0.449 6.706 18.183
268 1HB ALA 38 1HB ALA 38 2.387 7.330 20.340
269 2HB ALA 38 2HB ALA 38 1.453 8.722 19.743
270 3HB ALA 38 3HB ALA 38 0.607 7.290 20.376
271 H ALA 39 H ALA 39 3.897 7.448 17.630
272 HA ALA 39 HA ALA 39 3.632 9.939 16.462
273 1HB ALA 39 1HB ALA 39 5.789 9.351 15.355
274 2HB ALA 39 2HB ALA 39 5.775 8.942 17.088
275 3HB ALA 39 3HB ALA 39 5.565 7.662 15.869
276 H LEU 40 H LEU 40 3.353 6.629 15.028
277 HA LEU 40 HA LEU 40 2.895 7.623 12.413
278 1HB LEU 40 1HB LEU 40 2.380 4.921 13.663
279 2HB LEU 40 2HB LEU 40 2.234 5.275 11.953
280 HG LEU 40 HG LEU 40 4.812 5.678 13.482
281 1HD1 LEU 40 1HD1 LEU 40 5.311 3.509 13.434
282 2HD1 LEU 40 2HD1 LEU 40 3.588 3.217 13.098
283 3HD1 LEU 40 3HD1 LEU 40 4.749 3.334 11.754
284 1HD2 LEU 40 1HD2 LEU 40 4.663 6.903 11.387
285 2HD2 LEU 40 2HD2 LEU 40 5.833 5.569 11.248
286 3HD2 LEU 40 3HD2 LEU 40 4.215 5.414 10.522
287 H GLU 41 H GLU 41 0.844 6.722 15.210
288 HA GLU 41 HA GLU 41 -1.557 6.714 13.832
289 1HB GLU 41 1HB GLU 41 -0.806 7.179 16.734
290 2HB GLU 41 2HB GLU 41 -2.478 7.285 16.220
291 1HG GLU 41 1HG GLU 41 -1.090 4.878 15.183
292 2HG GLU 41 2HG GLU 41 -1.148 4.939 16.934
293 H SER 42 H SER 42 0.251 9.348 15.518
294 HA SER 42 HA SER 42 -1.766 11.250 15.121
295 1HB SER 42 1HB SER 42 0.691 11.100 16.489
296 2HB SER 42 2HB SER 42 0.949 12.358 15.297
297 HG SER 42 HG SER 42 0.073 13.343 17.140
298 H ALA 43 H ALA 43 1.084 10.148 13.251
299 HA ALA 43 HA ALA 43 1.075 12.286 11.408
300 1HB ALA 43 1HB ALA 43 2.834 11.152 10.451
301 2HB ALA 43 2HB ALA 43 2.826 10.354 12.042
302 3HB ALA 43 3HB ALA 43 2.059 9.562 10.645
303 H TYR 44 H TYR 44 -0.305 8.933 11.368
304 HA TYR 44 HA TYR 44 -1.780 9.667 8.949
305 1HB TYR 44 1HB TYR 44 -1.148 7.089 10.508
306 2HB TYR 44 2HB TYR 44 -2.232 7.090 9.131
307 HD1 TYR 44 HD1 TYR 44 -0.940 8.764 7.151
308 HD2 TYR 44 HD2 TYR 44 0.826 6.020 9.918
309 HE1 TYR 44 HE1 TYR 44 1.047 8.461 5.594
310 HE2 TYR 44 HE2 TYR 44 2.807 5.727 8.352
311 HH TYR 44 HH TYR 44 3.546 7.792 5.978
312 H GLY 45 H GLY 45 -2.496 7.562 11.820
313 1HA GLY 45 1HA GLY 45 -4.320 7.403 13.121
314 2HA GLY 45 2HA GLY 45 -4.589 9.112 12.841
315 H LEU 46 H LEU 46 -5.789 9.787 10.859
316 HA LEU 46 HA LEU 46 -7.914 7.905 10.350
317 1HB LEU 46 1HB LEU 46 -7.470 10.805 10.124
318 2HB LEU 46 2HB LEU 46 -8.450 10.118 8.844
319 HG LEU 46 HG LEU 46 -9.732 11.022 10.790
320 1HD1 LEU 46 1HD1 LEU 46 -10.844 9.505 9.325
321 2HD1 LEU 46 2HD1 LEU 46 -10.050 8.099 10.074
322 3HD1 LEU 46 3HD1 LEU 46 -11.254 9.035 10.992
323 1HD2 LEU 46 1HD2 LEU 46 -9.557 8.818 12.571
324 2HD2 LEU 46 2HD2 LEU 46 -7.902 9.399 12.270
325 3HD2 LEU 46 3HD2 LEU 46 -9.146 10.524 12.868
326 H ARG 47 H ARG 47 -5.023 9.223 8.773
327 HA ARG 47 HA ARG 47 -5.860 8.123 6.256
328 1HB ARG 47 1HB ARG 47 -3.298 9.565 7.106
329 2HB ARG 47 2HB ARG 47 -3.628 9.050 5.464
330 1HG ARG 47 1HG ARG 47 -4.788 10.961 5.104
331 2HG ARG 47 2HG ARG 47 -5.948 10.482 6.327
332 1HD ARG 47 1HD ARG 47 -5.057 11.889 7.917
333 2HD ARG 47 2HD ARG 47 -3.405 11.548 7.443
334 HE ARG 47 HE ARG 47 -4.422 13.021 5.308
335 1HH1 ARG 47 2HH2 ARG 47 -4.136 13.548 8.775
336 2HH1 ARG 47 1HH2 ARG 47 -4.011 15.270 8.632
337 1HH2 ARG 47 2HH1 ARG 47 -4.257 15.293 5.119
338 2HH2 ARG 47 1HH1 ARG 47 -4.080 16.269 6.539
339 H VAL 48 H VAL 48 -5.577 6.203 8.386
340 HA VAL 48 HA VAL 48 -3.117 5.007 8.623
341 HB VAL 48 HB VAL 48 -5.942 4.283 8.979
342 1HG1 VAL 48 1HG1 VAL 48 -5.310 2.391 7.585
343 2HG1 VAL 48 2HG1 VAL 48 -3.863 2.105 8.580
344 3HG1 VAL 48 3HG1 VAL 48 -5.483 1.865 9.276
345 1HG2 VAL 48 1HG2 VAL 48 -5.319 3.974 11.155
346 2HG2 VAL 48 2HG2 VAL 48 -3.743 3.268 10.724
347 3HG2 VAL 48 3HG2 VAL 48 -3.982 5.030 10.640
348 HA PRO 49 HA PRO 49 -4.136 2.628 4.661
349 1HB PRO 49 1HB PRO 49 -6.221 3.427 3.086
350 2HB PRO 49 2HB PRO 49 -6.351 2.138 4.266
351 1HG PRO 49 1HG PRO 49 -7.382 4.904 4.421
352 2HG PRO 49 2HG PRO 49 -7.850 3.504 5.365
353 1HD PRO 49 1HD PRO 49 -6.172 5.667 6.220
354 2HD PRO 49 2HD PRO 49 -6.546 4.211 7.121
355 H VAL 50 H VAL 50 -2.135 3.981 4.611
356 HA VAL 50 HA VAL 50 -2.387 5.788 2.305
357 HB VAL 50 HB VAL 50 -0.842 5.972 4.866
358 1HG1 VAL 50 1HG1 VAL 50 1.028 6.529 3.756
359 2HG1 VAL 50 2HG1 VAL 50 0.174 6.654 2.199
360 3HG1 VAL 50 3HG1 VAL 50 0.177 8.032 3.327
361 1HG2 VAL 50 1HG2 VAL 50 -3.116 7.127 4.269
362 2HG2 VAL 50 2HG2 VAL 50 -1.842 8.052 5.098
363 3HG2 VAL 50 3HG2 VAL 50 -2.088 8.250 3.347
364 H LEU 51 H LEU 51 -1.271 5.202 0.510
365 HA LEU 51 HA LEU 51 0.498 2.906 0.774
366 1HB LEU 51 1HB LEU 51 -1.443 3.722 -1.092
367 2HB LEU 51 2HB LEU 51 0.097 3.854 -1.919
368 HG LEU 51 HG LEU 51 -0.753 1.352 -0.447
369 1HD1 LEU 51 1HD1 LEU 51 -1.325 0.450 -2.718
370 2HD1 LEU 51 2HD1 LEU 51 -2.443 1.688 -2.095
371 3HD1 LEU 51 3HD1 LEU 51 -1.239 2.118 -3.334
372 1HD2 LEU 51 1HD2 LEU 51 0.986 0.906 -2.675
373 2HD2 LEU 51 2HD2 LEU 51 1.685 2.174 -1.640
374 3HD2 LEU 51 3HD2 LEU 51 1.266 0.589 -0.946
375 H ARG 52 H ARG 52 2.657 3.158 0.919
376 HA ARG 52 HA ARG 52 3.698 5.683 -0.091
377 1HB ARG 52 1HB ARG 52 3.866 5.246 2.429
378 2HB ARG 52 2HB ARG 52 4.936 3.906 2.069
379 1HG ARG 52 1HG ARG 52 6.334 5.659 0.704
380 2HG ARG 52 2HG ARG 52 5.410 6.867 1.575
381 1HD ARG 52 1HD ARG 52 6.236 6.107 3.717
382 2HD ARG 52 2HD ARG 52 6.867 4.622 3.033
383 HE ARG 52 HE ARG 52 8.776 5.779 2.308
384 1HH1 ARG 52 2HH2 ARG 52 6.272 8.088 3.191
385 2HH1 ARG 52 1HH2 ARG 52 7.317 9.463 3.067
386 1HH2 ARG 52 2HH1 ARG 52 10.156 7.593 2.143
387 2HH2 ARG 52 1HH1 ARG 52 9.541 9.180 2.466
388 H ASP 53 H ASP 53 5.822 5.607 -1.176
389 HA ASP 53 HA ASP 53 6.391 2.925 -2.168
390 1HB ASP 53 1HB ASP 53 7.564 4.524 -4.025
391 2HB ASP 53 2HB ASP 53 5.906 3.973 -4.154
392 HA PRO 54 HA PRO 54 10.509 3.584 -0.805
393 1HB PRO 54 1HB PRO 54 12.051 2.340 -2.687
394 2HB PRO 54 2HB PRO 54 11.190 1.475 -1.430
395 1HG PRO 54 1HG PRO 54 10.536 1.704 -4.304
396 2HG PRO 54 2HG PRO 54 9.958 0.531 -3.137
397 1HD PRO 54 1HD PRO 54 8.518 2.793 -4.155
398 2HD PRO 54 2HD PRO 54 7.985 1.688 -2.904
399 H MET 55 H MET 55 9.660 4.801 -3.880
400 HA MET 55 HA MET 55 12.048 6.133 -4.396
401 1HB MET 55 1HB MET 55 9.254 6.066 -5.387
402 2HB MET 55 2HB MET 55 9.954 7.667 -5.525
403 1HG MET 55 1HG MET 55 12.045 6.308 -6.521
404 2HG MET 55 2HG MET 55 10.825 5.095 -6.851
405 1HE MET 55 1HE MET 55 11.826 8.491 -9.444
406 2HE MET 55 2HE MET 55 12.434 8.349 -7.777
407 3HE MET 55 3HE MET 55 12.675 7.014 -8.929
408 H GLY 56 H GLY 56 9.081 7.041 -2.572
409 1HA GLY 56 1HA GLY 56 9.586 8.478 -0.624
410 2HA GLY 56 2HA GLY 56 10.465 9.518 -1.727
411 H ARG 57 H ARG 57 7.297 7.793 -2.141
412 HA ARG 57 HA ARG 57 6.009 10.375 -2.138
413 1HB ARG 57 1HB ARG 57 5.441 8.380 -4.372
414 2HB ARG 57 2HB ARG 57 4.935 10.055 -4.280
415 1HG ARG 57 1HG ARG 57 7.636 10.410 -4.125
416 2HG ARG 57 2HG ARG 57 7.604 8.913 -5.037
417 1HD ARG 57 1HD ARG 57 7.532 10.586 -6.722
418 2HD ARG 57 2HD ARG 57 5.859 10.085 -6.579
419 HE ARG 57 HE ARG 57 6.482 12.285 -4.776
420 1HH1 ARG 57 2HH2 ARG 57 5.657 11.500 -8.105
421 2HH1 ARG 57 1HH2 ARG 57 4.982 13.059 -8.440
422 1HH2 ARG 57 2HH1 ARG 57 5.591 14.342 -5.217
423 2HH2 ARG 57 1HH1 ARG 57 4.944 14.687 -6.786
424 H GLU 58 H GLU 58 3.489 10.034 -2.250
425 HA GLU 58 HA GLU 58 2.791 7.432 -1.170
426 1HB GLU 58 1HB GLU 58 2.232 10.130 0.113
427 2HB GLU 58 2HB GLU 58 1.257 8.721 0.482
428 1HG GLU 58 1HG GLU 58 3.718 7.614 0.815
429 2HG GLU 58 2HG GLU 58 4.127 9.281 1.171
430 H LEU 59 H LEU 59 0.329 7.102 -1.177
431 HA LEU 59 HA LEU 59 -0.871 8.689 -3.337
432 1HB LEU 59 1HB LEU 59 -0.077 6.454 -4.085
433 2HB LEU 59 2HB LEU 59 -1.158 5.711 -2.923
434 HG LEU 59 HG LEU 59 -3.103 6.609 -4.076
435 1HD1 LEU 59 1HD1 LEU 59 -1.068 7.998 -5.824
436 2HD1 LEU 59 2HD1 LEU 59 -2.758 7.742 -6.319
437 3HD1 LEU 59 3HD1 LEU 59 -2.392 8.714 -4.874
438 1HD2 LEU 59 1HD2 LEU 59 -1.593 4.532 -4.908
439 2HD2 LEU 59 2HD2 LEU 59 -3.146 4.991 -5.647
440 3HD2 LEU 59 3HD2 LEU 59 -1.617 5.515 -6.392
441 H ASP 60 H ASP 60 -3.085 9.186 -3.115
442 HA ASP 60 HA ASP 60 -3.944 9.554 -0.544
443 1HB ASP 60 1HB ASP 60 -4.889 10.052 -3.205
444 2HB ASP 60 2HB ASP 60 -6.208 9.277 -2.351
445 H TRP 61 H TRP 61 -5.685 8.467 0.689
446 HA TRP 61 HA TRP 61 -5.559 5.696 0.657
447 1HB TRP 61 1HB TRP 61 -6.295 6.257 2.675
448 2HB TRP 61 2HB TRP 61 -6.960 7.780 2.120
449 HD1 TRP 61 HD1 TRP 61 -9.458 7.787 2.885
450 HE1 TRP 61 HE1 TRP 61 -11.549 6.179 2.824
451 HE3 TRP 61 HE3 TRP 61 -6.991 3.796 0.924
452 HZ2 TRP 61 HZ2 TRP 61 -11.929 3.478 1.982
453 HZ3 TRP 61 HZ3 TRP 61 -8.296 1.712 0.514
454 HH2 TRP 61 HH2 TRP 61 -10.681 1.514 1.010
455 HA PRO 62 HA PRO 62 -9.636 5.932 -1.754
456 1HB PRO 62 1HB PRO 62 -10.563 8.334 -2.671
457 2HB PRO 62 2HB PRO 62 -11.098 7.611 -1.166
458 1HG PRO 62 1HG PRO 62 -9.249 9.881 -1.578
459 2HG PRO 62 2HG PRO 62 -10.118 9.422 -0.126
460 1HD PRO 62 1HD PRO 62 -7.335 8.989 -0.671
461 2HD PRO 62 2HD PRO 62 -8.229 8.428 0.728
462 H PHE 63 H PHE 63 -9.011 4.780 -3.467
463 HA PHE 63 HA PHE 63 -8.241 6.356 -5.763
464 1HB PHE 63 1HB PHE 63 -6.307 4.455 -5.922
465 2HB PHE 63 2HB PHE 63 -6.019 5.958 -5.068
466 HD1 PHE 63 HD1 PHE 63 -8.094 3.111 -3.902
467 HD2 PHE 63 HD2 PHE 63 -4.474 5.277 -3.440
468 HE1 PHE 63 HE1 PHE 63 -7.591 1.824 -1.806
469 HE2 PHE 63 HE2 PHE 63 -3.972 3.990 -1.345
470 HZ PHE 63 HZ PHE 63 -5.536 2.279 -0.552
471 H ASP 64 H ASP 64 -7.488 4.399 -7.526
472 HA ASP 64 HA ASP 64 -9.659 2.466 -7.315
473 1HB ASP 64 1HB ASP 64 -8.645 3.688 -9.917
474 2HB ASP 64 2HB ASP 64 -10.065 2.683 -9.706
475 H ALA 65 H ALA 65 -9.081 0.896 -9.564
476 HA ALA 65 HA ALA 65 -6.665 -0.396 -8.740
477 1HB ALA 65 1HB ALA 65 -7.810 -2.146 -9.554
478 2HB ALA 65 2HB ALA 65 -9.086 -1.046 -10.127
479 3HB ALA 65 3HB ALA 65 -7.719 -1.452 -11.191
480 HA PRO 66 HA PRO 66 -5.351 1.216 -12.994
481 1HB PRO 66 1HB PRO 66 -6.891 3.062 -14.293
482 2HB PRO 66 2HB PRO 66 -6.977 1.342 -14.620
483 1HG PRO 66 1HG PRO 66 -8.876 3.041 -13.121
484 2HG PRO 66 2HG PRO 66 -9.136 1.453 -13.816
485 1HD PRO 66 1HD PRO 66 -8.711 2.066 -11.046
486 2HD PRO 66 2HD PRO 66 -8.855 0.470 -11.756
487 H ARG 67 H ARG 67 -6.823 3.338 -10.733
488 HA ARG 67 HA ARG 67 -5.120 5.493 -11.439
489 1HB ARG 67 1HB ARG 67 -7.511 5.296 -10.084
490 2HB ARG 67 2HB ARG 67 -6.406 5.451 -8.733
491 1HG ARG 67 1HG ARG 67 -5.816 7.624 -9.274
492 2HG ARG 67 2HG ARG 67 -5.929 7.344 -11.000
493 1HD ARG 67 1HD ARG 67 -8.567 7.071 -9.766
494 2HD ARG 67 2HD ARG 67 -7.858 8.614 -9.334
495 HE ARG 67 HE ARG 67 -7.626 7.929 -12.189
496 1HH1 ARG 67 2HH2 ARG 67 -9.548 9.535 -9.717
497 2HH1 ARG 67 1HH2 ARG 67 -10.375 10.558 -10.844
498 1HH2 ARG 67 2HH1 ARG 67 -8.717 9.278 -13.676
499 2HH2 ARG 67 1HH1 ARG 67 -9.899 10.411 -13.111
500 H LEU 68 H LEU 68 -5.131 2.760 -9.159
501 HA LEU 68 HA LEU 68 -2.989 3.824 -7.572
502 1HB LEU 68 1HB LEU 68 -4.817 2.372 -6.707
503 2HB LEU 68 2HB LEU 68 -4.166 1.043 -7.646
504 HG LEU 68 HG LEU 68 -2.011 2.071 -6.113
505 1HD1 LEU 68 1HD1 LEU 68 -3.010 3.029 -4.353
506 2HD1 LEU 68 2HD1 LEU 68 -4.595 2.313 -4.733
507 3HD1 LEU 68 3HD1 LEU 68 -3.377 1.362 -3.848
508 1HD2 LEU 68 1HD2 LEU 68 -1.690 -0.109 -5.613
509 2HD2 LEU 68 2HD2 LEU 68 -3.398 -0.385 -5.195
510 3HD2 LEU 68 3HD2 LEU 68 -2.895 -0.346 -6.902
511 H ARG 69 H ARG 69 -3.427 1.548 -10.307
512 HA ARG 69 HA ARG 69 -0.816 0.576 -10.205
513 1HB ARG 69 1HB ARG 69 -2.614 -0.620 -11.399
514 2HB ARG 69 2HB ARG 69 -2.836 0.728 -12.497
515 1HG ARG 69 1HG ARG 69 -1.345 -0.289 -13.876
516 2HG ARG 69 2HG ARG 69 -0.099 0.176 -12.735
517 1HD ARG 69 1HD ARG 69 -0.491 -1.977 -11.474
518 2HD ARG 69 2HD ARG 69 -1.674 -2.445 -12.680
519 HE ARG 69 HE ARG 69 0.066 -2.945 -14.173
520 1HH1 ARG 69 2HH2 ARG 69 1.329 -1.021 -11.511
521 2HH1 ARG 69 1HH2 ARG 69 2.984 -1.228 -11.978
522 1HH2 ARG 69 2HH1 ARG 69 2.249 -3.219 -14.790
523 2HH2 ARG 69 1HH1 ARG 69 3.511 -2.487 -13.856
524 H ALA 70 H ALA 70 -2.451 3.119 -12.221
525 HA ALA 70 HA ALA 70 -0.283 3.819 -13.779
526 1HB ALA 70 1HB ALA 70 -2.837 5.075 -12.877
527 2HB ALA 70 2HB ALA 70 -1.606 6.165 -13.557
528 3HB ALA 70 3HB ALA 70 -2.216 4.800 -14.522
529 H TRP 71 H TRP 71 -1.072 4.569 -10.390
530 HA TRP 71 HA TRP 71 0.849 6.665 -10.175
531 1HB TRP 71 1HB TRP 71 -1.091 6.639 -8.750
532 2HB TRP 71 2HB TRP 71 -0.675 5.057 -8.121
533 HD1 TRP 71 HD1 TRP 71 0.494 8.739 -7.883
534 HE1 TRP 71 HE1 TRP 71 1.945 9.133 -5.715
535 HE3 TRP 71 HE3 TRP 71 0.744 3.845 -6.523
536 HZ2 TRP 71 HZ2 TRP 71 3.011 7.394 -3.719
537 HZ3 TRP 71 HZ3 TRP 71 2.009 3.279 -4.452
538 HH2 TRP 71 HH2 TRP 71 3.120 4.960 -3.068
539 H LEU 72 H LEU 72 0.711 3.116 -9.702
540 HA LEU 72 HA LEU 72 3.173 2.904 -8.352
541 1HB LEU 72 1HB LEU 72 1.503 0.949 -9.928
542 2HB LEU 72 2HB LEU 72 2.988 0.498 -9.114
543 HG LEU 72 HG LEU 72 0.858 1.872 -7.520
544 1HD1 LEU 72 1HD1 LEU 72 0.414 -0.579 -8.977
545 2HD1 LEU 72 2HD1 LEU 72 0.377 -0.879 -7.223
546 3HD1 LEU 72 3HD1 LEU 72 -0.697 0.347 -7.939
547 1HD2 LEU 72 1HD2 LEU 72 2.801 -0.356 -6.851
548 2HD2 LEU 72 2HD2 LEU 72 3.060 1.376 -6.531
549 3HD2 LEU 72 3HD2 LEU 72 1.737 0.509 -5.716
550 H ASP 73 H ASP 73 2.228 2.501 -11.831
551 HA ASP 73 HA ASP 73 4.652 1.818 -12.803
552 1HB ASP 73 1HB ASP 73 2.260 2.325 -13.918
553 2HB ASP 73 2HB ASP 73 3.007 3.863 -14.300
554 H ALA 74 H ALA 74 3.432 4.965 -11.660
555 HA ALA 74 HA ALA 74 5.156 6.714 -12.888
556 1HB ALA 74 1HB ALA 74 4.209 8.204 -11.459
557 2HB ALA 74 2HB ALA 74 3.174 6.835 -10.989
558 3HB ALA 74 3HB ALA 74 4.615 7.233 -10.023
559 H ALA 75 H ALA 75 5.772 4.261 -10.431
560 HA ALA 75 HA ALA 75 8.553 5.207 -10.326
561 1HB ALA 75 1HB ALA 75 7.639 3.687 -7.984
562 2HB ALA 75 2HB ALA 75 8.526 5.228 -8.068
563 3HB ALA 75 3HB ALA 75 6.751 5.214 -8.205
564 HA PRO 76 HA PRO 76 9.590 1.137 -11.361
565 1HB PRO 76 1HB PRO 76 11.892 0.649 -9.973
566 2HB PRO 76 2HB PRO 76 11.843 1.604 -11.441
567 1HG PRO 76 1HG PRO 76 12.138 2.518 -8.646
568 2HG PRO 76 2HG PRO 76 12.506 3.379 -10.127
569 1HD PRO 76 1HD PRO 76 10.217 3.763 -8.442
570 2HD PRO 76 2HD PRO 76 10.528 4.541 -9.981
571 H HIS 77 H HIS 77 10.337 -1.150 -10.514
572 HA HIS 77 HA HIS 77 9.033 -1.553 -7.943
573 1HB HIS 77 1HB HIS 77 7.951 -3.637 -9.000
574 2HB HIS 77 2HB HIS 77 7.210 -2.072 -9.271
575 HD1 HIS 77 HD1 HIS 77 8.394 -5.013 -11.047
576 HD2 HIS 77 HD2 HIS 77 7.997 -0.932 -11.932
577 HE1 HIS 77 HE1 HIS 77 8.469 -4.822 -13.591
578 H ALA 78 H ALA 78 9.341 -4.120 -7.426
579 HA ALA 78 HA ALA 78 11.698 -5.271 -8.505
580 1HB ALA 78 1HB ALA 78 12.565 -3.349 -7.044
581 2HB ALA 78 2HB ALA 78 11.941 -4.265 -5.651
582 3HB ALA 78 3HB ALA 78 13.207 -4.970 -6.685
Start of MODEL 2
1 1H MET 1 1H MET 1 14.041 -1.743 -2.372
2 HA MET 1 HA MET 1 13.048 -2.940 -0.724
3 1HB MET 1 1HB MET 1 12.699 -0.176 0.430
4 2HB MET 1 2HB MET 1 11.492 -1.358 0.897
5 1HG MET 1 1HG MET 1 12.964 -2.524 2.217
6 2HG MET 1 2HG MET 1 14.255 -2.421 1.037
7 1HE MET 1 1HE MET 1 16.284 -1.739 2.184
8 2HE MET 1 2HE MET 1 16.355 -0.679 3.612
9 3HE MET 1 3HE MET 1 15.456 -2.214 3.686
10 H ALA 2 H ALA 2 10.586 -3.337 -0.162
11 HA ALA 2 HA ALA 2 9.151 -2.822 -2.612
12 1HB ALA 2 1HB ALA 2 7.769 -4.585 -1.935
13 2HB ALA 2 2HB ALA 2 9.331 -5.031 -1.207
14 3HB ALA 2 3HB ALA 2 8.063 -4.285 -0.206
15 H LEU 3 H LEU 3 6.579 -2.478 -2.088
16 HA LEU 3 HA LEU 3 6.433 0.185 -1.208
17 1HB LEU 3 1HB LEU 3 4.412 -1.913 -1.949
18 2HB LEU 3 2HB LEU 3 3.912 -0.346 -1.343
19 HG LEU 3 HG LEU 3 5.865 -0.197 -3.543
20 1HD1 LEU 3 1HD1 LEU 3 4.957 -1.708 -4.898
21 2HD1 LEU 3 2HD1 LEU 3 3.593 -1.993 -3.790
22 3HD1 LEU 3 3HD1 LEU 3 3.520 -0.661 -4.969
23 1HD2 LEU 3 1HD2 LEU 3 4.653 1.738 -2.569
24 2HD2 LEU 3 2HD2 LEU 3 4.407 1.556 -4.323
25 3HD2 LEU 3 3HD2 LEU 3 3.130 1.056 -3.188
26 H THR 4 H THR 4 4.344 0.592 0.433
27 HA THR 4 HA THR 4 4.467 -1.149 2.721
28 HB THR 4 HB THR 4 5.802 1.598 2.670
29 HG1 THR 4 HG1 THR 4 6.386 -1.153 3.509
30 1HG2 THR 4 1HG2 THR 4 4.642 1.746 4.743
31 2HG2 THR 4 2HG2 THR 4 4.669 -0.017 4.985
32 3HG2 THR 4 3HG2 THR 4 6.157 0.935 5.205
33 H LEU 5 H LEU 5 2.376 -1.380 3.183
34 HA LEU 5 HA LEU 5 0.727 1.045 2.997
35 1HB LEU 5 1HB LEU 5 -0.079 -0.377 1.357
36 2HB LEU 5 2HB LEU 5 0.191 -1.820 2.314
37 HG LEU 5 HG LEU 5 -1.662 -0.678 3.873
38 1HD1 LEU 5 1HD1 LEU 5 -3.341 0.104 1.845
39 2HD1 LEU 5 2HD1 LEU 5 -2.469 1.192 2.952
40 3HD1 LEU 5 3HD1 LEU 5 -1.786 0.816 1.352
41 1HD2 LEU 5 1HD2 LEU 5 -1.779 -2.563 1.589
42 2HD2 LEU 5 2HD2 LEU 5 -2.256 -2.777 3.290
43 3HD2 LEU 5 3HD2 LEU 5 -3.336 -1.921 2.163
44 H TYR 6 H TYR 6 0.279 1.887 4.954
45 HA TYR 6 HA TYR 6 0.686 0.370 7.322
46 1HB TYR 6 1HB TYR 6 -0.430 3.087 6.459
47 2HB TYR 6 2HB TYR 6 -0.590 2.605 8.136
48 HD1 TYR 6 HD1 TYR 6 1.545 4.109 5.701
49 HD2 TYR 6 HD2 TYR 6 1.587 1.956 9.398
50 HE1 TYR 6 HE1 TYR 6 3.896 4.954 6.175
51 HE2 TYR 6 HE2 TYR 6 3.937 2.808 9.860
52 HH TYR 6 HH TYR 6 5.662 4.734 7.447
53 H GLN 7 H GLN 7 -0.753 -0.719 8.613
54 HA GLN 7 HA GLN 7 -3.564 -0.293 8.111
55 1HB GLN 7 1HB GLN 7 -4.057 -2.659 7.815
56 2HB GLN 7 2HB GLN 7 -2.872 -2.180 6.616
57 1HG GLN 7 1HG GLN 7 -1.063 -3.211 7.835
58 2HG GLN 7 2HG GLN 7 -2.034 -3.383 9.284
59 1HE2 GLN 7 1HE2 GLN 7 -0.598 -5.420 7.892
60 2HE2 GLN 7 2HE2 GLN 7 -1.723 -6.625 7.361
61 H ARG 8 H ARG 8 -4.887 -1.686 9.819
62 HA ARG 8 HA ARG 8 -3.346 -1.568 12.287
63 1HB ARG 8 1HB ARG 8 -6.323 -1.028 11.824
64 2HB ARG 8 2HB ARG 8 -5.578 -1.085 13.409
65 1HG ARG 8 1HG ARG 8 -3.916 0.717 12.453
66 2HG ARG 8 2HG ARG 8 -5.105 0.929 11.183
67 1HD ARG 8 1HD ARG 8 -6.097 0.950 14.032
68 2HD ARG 8 2HD ARG 8 -5.200 2.350 13.477
69 HE ARG 8 HE ARG 8 -6.958 2.891 11.992
70 1HH1 ARG 8 2HH2 ARG 8 -7.485 -0.288 13.406
71 2HH1 ARG 8 1HH2 ARG 8 -9.117 -0.410 12.840
72 1HH2 ARG 8 2HH1 ARG 8 -9.111 2.730 11.245
73 2HH2 ARG 8 1HH1 ARG 8 -10.049 1.318 11.602
74 H ASP 9 H ASP 9 -3.475 -3.897 10.560
75 HA ASP 9 HA ASP 9 -3.819 -6.035 10.638
76 1HB ASP 9 1HB ASP 9 -3.622 -5.258 13.355
77 2HB ASP 9 2HB ASP 9 -5.016 -6.319 13.306
78 H ASP 10 H ASP 10 -5.610 -6.169 9.168
79 HA ASP 10 HA ASP 10 -7.623 -6.630 8.509
80 1HB ASP 10 1HB ASP 10 -7.493 -8.139 10.678
81 2HB ASP 10 2HB ASP 10 -8.604 -6.969 11.361
82 H CYS 11 H CYS 11 -8.715 -4.814 7.733
83 HA CYS 11 HA CYS 11 -10.410 -3.366 9.490
84 1HB CYS 11 1HB CYS 11 -8.034 -2.332 9.785
85 2HB CYS 11 2HB CYS 11 -8.297 -1.645 8.194
86 HG CYS 11 HG CYS 11 -9.683 0.161 8.834
87 H HIS 12 H HIS 12 -11.912 -2.028 8.218
88 HA HIS 12 HA HIS 12 -12.310 -3.079 5.627
89 1HB HIS 12 1HB HIS 12 -13.950 -2.083 7.486
90 2HB HIS 12 2HB HIS 12 -13.727 -0.617 6.553
91 HD1 HIS 12 HD1 HIS 12 -16.512 -1.664 6.527
92 HD2 HIS 12 HD2 HIS 12 -13.623 -3.020 3.804
93 HE1 HIS 12 HE1 HIS 12 -17.796 -2.622 4.541
94 H LEU 13 H LEU 13 -11.399 0.204 6.884
95 HA LEU 13 HA LEU 13 -11.136 1.436 4.433
96 1HB LEU 13 1HB LEU 13 -11.026 2.285 6.909
97 2HB LEU 13 2HB LEU 13 -9.298 2.067 6.710
98 HG LEU 13 HG LEU 13 -9.664 3.509 4.530
99 1HD1 LEU 13 1HD1 LEU 13 -12.264 3.619 5.787
100 2HD1 LEU 13 2HD1 LEU 13 -11.547 5.244 5.673
101 3HD1 LEU 13 3HD1 LEU 13 -11.732 4.248 4.209
102 1HD2 LEU 13 1HD2 LEU 13 -8.689 5.229 5.645
103 2HD2 LEU 13 2HD2 LEU 13 -9.843 5.162 6.998
104 3HD2 LEU 13 3HD2 LEU 13 -8.519 3.977 6.898
105 H CYS 14 H CYS 14 -8.871 -0.683 6.239
106 HA CYS 14 HA CYS 14 -6.746 -0.220 4.408
107 1HB CYS 14 1HB CYS 14 -6.132 -0.810 6.631
108 2HB CYS 14 2HB CYS 14 -7.176 -2.218 6.639
109 HG CYS 14 HG CYS 14 -5.348 -3.657 6.158
110 H ASP 15 H ASP 15 -9.275 -2.738 4.984
111 HA ASP 15 HA ASP 15 -8.452 -4.637 3.262
112 1HB ASP 15 1HB ASP 15 -11.185 -3.617 4.068
113 2HB ASP 15 2HB ASP 15 -11.082 -4.868 2.845
114 H GLN 16 H GLN 16 -10.622 -1.786 2.584
115 HA GLN 16 HA GLN 16 -10.983 -2.284 -0.089
116 1HB GLN 16 1HB GLN 16 -11.198 0.107 1.704
117 2HB GLN 16 2HB GLN 16 -11.153 0.430 -0.018
118 1HG GLN 16 1HG GLN 16 -12.963 -1.523 -0.138
119 2HG GLN 16 2HG GLN 16 -13.198 -1.149 1.558
120 1HE2 GLN 16 1HE2 GLN 16 -14.290 0.614 2.163
121 2HE2 GLN 16 2HE2 GLN 16 -14.981 1.789 1.095
122 H ALA 17 H ALA 17 -8.251 -0.839 1.667
123 HA ALA 17 HA ALA 17 -7.039 0.333 -0.616
124 1HB ALA 17 1HB ALA 17 -6.660 1.028 1.758
125 2HB ALA 17 2HB ALA 17 -5.818 -0.515 2.040
126 3HB ALA 17 3HB ALA 17 -5.151 0.666 0.887
127 H VAL 18 H VAL 18 -6.706 -2.795 1.160
128 HA VAL 18 HA VAL 18 -4.544 -3.741 -0.337
129 HB VAL 18 HB VAL 18 -6.744 -5.115 1.210
130 1HG1 VAL 18 1HG1 VAL 18 -5.266 -7.117 1.205
131 2HG1 VAL 18 2HG1 VAL 18 -5.896 -6.708 -0.409
132 3HG1 VAL 18 3HG1 VAL 18 -4.216 -6.304 0.020
133 1HG2 VAL 18 1HG2 VAL 18 -5.164 -3.598 2.445
134 2HG2 VAL 18 2HG2 VAL 18 -5.136 -5.294 2.984
135 3HG2 VAL 18 3HG2 VAL 18 -3.834 -4.670 1.943
136 H GLU 19 H GLU 19 -8.093 -3.786 -0.855
137 HA GLU 19 HA GLU 19 -8.128 -5.632 -2.892
138 1HB GLU 19 1HB GLU 19 -9.966 -3.924 -1.608
139 2HB GLU 19 2HB GLU 19 -10.049 -3.449 -3.293
140 1HG GLU 19 1HG GLU 19 -10.905 -5.491 -3.980
141 2HG GLU 19 2HG GLU 19 -10.001 -6.399 -2.784
142 H ALA 20 H ALA 20 -7.811 -2.018 -3.029
143 HA ALA 20 HA ALA 20 -7.659 -1.847 -5.807
144 1HB ALA 20 1HB ALA 20 -6.630 0.382 -5.312
145 2HB ALA 20 2HB ALA 20 -8.113 0.073 -4.378
146 3HB ALA 20 3HB ALA 20 -6.522 -0.087 -3.598
147 H LEU 21 H LEU 21 -5.201 -2.494 -3.271
148 HA LEU 21 HA LEU 21 -2.976 -2.231 -4.965
149 1HB LEU 21 1HB LEU 21 -3.566 -3.067 -2.242
150 2HB LEU 21 2HB LEU 21 -2.299 -4.039 -2.964
151 HG LEU 21 HG LEU 21 -2.181 -1.031 -3.093
152 1HD1 LEU 21 1HD1 LEU 21 -0.833 -1.056 -1.018
153 2HD1 LEU 21 2HD1 LEU 21 -2.535 -1.505 -0.751
154 3HD1 LEU 21 3HD1 LEU 21 -1.276 -2.763 -0.777
155 1HD2 LEU 21 1HD2 LEU 21 -0.261 -1.417 -4.129
156 2HD2 LEU 21 2HD2 LEU 21 0.341 -2.303 -2.708
157 3HD2 LEU 21 3HD2 LEU 21 -0.532 -3.171 -3.994
158 H ALA 22 H ALA 22 -4.782 -5.161 -3.799
159 HA ALA 22 HA ALA 22 -3.338 -6.970 -5.351
160 1HB ALA 22 1HB ALA 22 -6.240 -7.418 -4.713
161 2HB ALA 22 2HB ALA 22 -4.854 -8.520 -4.542
162 3HB ALA 22 3HB ALA 22 -5.097 -7.207 -3.366
163 H GLN 23 H GLN 23 -6.412 -5.164 -5.985
164 HA GLN 23 HA GLN 23 -6.966 -6.346 -8.399
165 1HB GLN 23 1HB GLN 23 -7.647 -3.702 -7.121
166 2HB GLN 23 2HB GLN 23 -8.063 -3.940 -8.807
167 1HG GLN 23 1HG GLN 23 -8.862 -6.337 -7.511
168 2HG GLN 23 2HG GLN 23 -9.336 -5.053 -6.416
169 1HE2 GLN 23 1HE2 GLN 23 -10.745 -3.421 -7.107
170 2HE2 GLN 23 2HE2 GLN 23 -11.812 -3.624 -8.456
171 H ALA 24 H ALA 24 -4.917 -3.483 -7.600
172 HA ALA 24 HA ALA 24 -4.352 -2.901 -10.327
173 1HB ALA 24 1HB ALA 24 -4.278 -1.147 -8.666
174 2HB ALA 24 2HB ALA 24 -3.102 -2.055 -7.686
175 3HB ALA 24 3HB ALA 24 -2.622 -1.397 -9.269
176 H ARG 25 H ARG 25 -3.509 -5.487 -8.335
177 HA ARG 25 HA ARG 25 -1.982 -7.015 -8.378
178 1HB ARG 25 1HB ARG 25 -2.153 -6.111 -11.211
179 2HB ARG 25 2HB ARG 25 -0.676 -6.977 -10.836
180 1HG ARG 25 1HG ARG 25 -2.814 -8.417 -9.577
181 2HG ARG 25 2HG ARG 25 -3.354 -8.035 -11.200
182 1HD ARG 25 1HD ARG 25 -0.745 -8.836 -11.681
183 2HD ARG 25 2HD ARG 25 -1.163 -9.849 -10.313
184 HE ARG 25 HE ARG 25 -3.358 -9.969 -12.098
185 1HH1 ARG 25 2HH2 ARG 25 0.045 -10.864 -12.084
186 2HH1 ARG 25 1HH2 ARG 25 -0.162 -12.172 -13.200
187 1HH2 ARG 25 2HH1 ARG 25 -3.632 -11.694 -13.571
188 2HH2 ARG 25 1HH1 ARG 25 -2.268 -12.647 -14.052
189 H ALA 26 H ALA 26 -1.148 -4.539 -7.234
190 HA ALA 26 HA ALA 26 1.173 -3.430 -8.158
191 1HB ALA 26 1HB ALA 26 1.208 -2.398 -6.116
192 2HB ALA 26 2HB ALA 26 -0.421 -3.105 -5.991
193 3HB ALA 26 3HB ALA 26 0.964 -3.918 -5.223
194 H GLY 27 H GLY 27 0.864 -6.206 -5.824
195 1HA GLY 27 1HA GLY 27 2.362 -8.111 -6.604
196 2HA GLY 27 2HA GLY 27 3.648 -6.926 -6.483
197 H ALA 28 H ALA 28 4.838 -7.646 -4.730
198 HA ALA 28 HA ALA 28 3.338 -8.203 -2.272
199 1HB ALA 28 1HB ALA 28 6.073 -8.897 -1.991
200 2HB ALA 28 2HB ALA 28 4.688 -9.997 -2.190
201 3HB ALA 28 3HB ALA 28 5.589 -9.432 -3.618
202 H PHE 29 H PHE 29 4.177 -7.309 -0.236
203 HA PHE 29 HA PHE 29 6.159 -5.264 -0.366
204 1HB PHE 29 1HB PHE 29 4.462 -3.487 0.382
205 2HB PHE 29 2HB PHE 29 4.247 -4.004 -1.278
206 HD1 PHE 29 HD1 PHE 29 2.262 -5.133 -1.972
207 HD2 PHE 29 HD2 PHE 29 2.905 -4.307 2.141
208 HE1 PHE 29 HE1 PHE 29 -0.129 -5.719 -1.480
209 HE2 PHE 29 HE2 PHE 29 0.514 -4.892 2.632
210 HZ PHE 29 HZ PHE 29 -0.974 -5.591 0.816
211 H PHE 30 H PHE 30 5.860 -3.903 1.919
212 HA PHE 30 HA PHE 30 5.643 -6.039 3.909
213 1HB PHE 30 1HB PHE 30 7.016 -3.284 3.846
214 2HB PHE 30 2HB PHE 30 7.079 -4.364 5.225
215 HD1 PHE 30 HD1 PHE 30 9.240 -3.170 3.151
216 HD2 PHE 30 HD2 PHE 30 7.492 -6.973 3.847
217 HE1 PHE 30 HE1 PHE 30 11.275 -4.281 2.189
218 HE2 PHE 30 HE2 PHE 30 9.527 -8.085 2.885
219 HZ PHE 30 HZ PHE 30 11.394 -6.725 2.067
220 H SER 31 H SER 31 4.338 -5.815 5.740
221 HA SER 31 HA SER 31 2.482 -3.593 5.561
222 1HB SER 31 1HB SER 31 2.354 -6.393 6.637
223 2HB SER 31 2HB SER 31 1.366 -5.189 7.442
224 HG SER 31 HG SER 31 -0.023 -5.597 5.858
225 H VAL 32 H VAL 32 2.289 -2.064 7.221
226 HA VAL 32 HA VAL 32 3.973 -2.532 9.582
227 HB VAL 32 HB VAL 32 3.606 0.042 8.035
228 1HG1 VAL 32 1HG1 VAL 32 4.829 -0.598 10.693
229 2HG1 VAL 32 2HG1 VAL 32 5.606 0.638 9.674
230 3HG1 VAL 32 3HG1 VAL 32 3.908 0.833 10.171
231 1HG2 VAL 32 1HG2 VAL 32 5.716 -2.070 8.036
232 2HG2 VAL 32 2HG2 VAL 32 5.145 -1.017 6.720
233 3HG2 VAL 32 3HG2 VAL 32 6.250 -0.374 7.958
234 H PHE 33 H PHE 33 2.913 -2.340 11.499
235 HA PHE 33 HA PHE 33 0.136 -1.521 11.360
236 1HB PHE 33 1HB PHE 33 1.828 -2.531 13.717
237 2HB PHE 33 2HB PHE 33 0.081 -2.598 13.590
238 HD1 PHE 33 HD1 PHE 33 3.215 -4.179 12.645
239 HD2 PHE 33 HD2 PHE 33 -0.994 -4.245 12.108
240 HE1 PHE 33 HE1 PHE 33 3.375 -6.490 11.679
241 HE2 PHE 33 HE2 PHE 33 -0.835 -6.556 11.143
242 HZ PHE 33 HZ PHE 33 1.348 -7.651 10.940
243 H ILE 34 H ILE 34 -0.605 0.440 12.035
244 HA ILE 34 HA ILE 34 1.317 2.283 13.137
245 HB ILE 34 HB ILE 34 -0.299 3.953 12.712
246 1HG1 ILE 34 1HG1 ILE 34 -2.488 2.249 11.741
247 2HG1 ILE 34 2HG1 ILE 34 -2.191 2.088 13.461
248 1HG2 ILE 34 1HG2 ILE 34 -0.027 1.849 10.586
249 2HG2 ILE 34 2HG2 ILE 34 -1.007 3.306 10.290
250 3HG2 ILE 34 3HG2 ILE 34 0.719 3.461 10.697
251 1HD1 ILE 34 1HD1 ILE 34 -2.231 4.870 12.303
252 2HD1 ILE 34 2HD1 ILE 34 -3.780 4.016 12.507
253 3HD1 ILE 34 3HD1 ILE 34 -2.733 4.308 13.916
254 H ASP 35 H ASP 35 -0.959 -0.030 14.297
255 HA ASP 35 HA ASP 35 -1.991 1.220 16.489
256 1HB ASP 35 1HB ASP 35 -2.498 -0.958 17.297
257 2HB ASP 35 2HB ASP 35 -2.441 -1.146 15.556
258 H ASP 36 H ASP 36 -1.257 1.357 18.734
259 HA ASP 36 HA ASP 36 0.146 1.228 20.426
260 1HB ASP 36 1HB ASP 36 1.201 -0.799 18.969
261 2HB ASP 36 2HB ASP 36 2.517 0.344 18.792
262 H ASP 37 H ASP 37 1.820 1.973 17.275
263 HA ASP 37 HA ASP 37 3.442 3.958 18.396
264 1HB ASP 37 1HB ASP 37 2.774 2.916 15.684
265 2HB ASP 37 2HB ASP 37 3.277 4.595 15.703
266 H ALA 38 H ALA 38 2.260 5.642 19.427
267 HA ALA 38 HA ALA 38 -0.163 6.657 18.442
268 1HB ALA 38 1HB ALA 38 1.502 6.933 20.720
269 2HB ALA 38 2HB ALA 38 1.307 8.569 20.045
270 3HB ALA 38 3HB ALA 38 -0.127 7.607 20.477
271 H ALA 39 H ALA 39 3.273 7.441 17.859
272 HA ALA 39 HA ALA 39 2.913 9.944 16.700
273 1HB ALA 39 1HB ALA 39 5.012 8.193 17.261
274 2HB ALA 39 2HB ALA 39 5.028 8.315 15.486
275 3HB ALA 39 3HB ALA 39 5.153 9.786 16.480
276 H LEU 40 H LEU 40 2.935 6.622 15.248
277 HA LEU 40 HA LEU 40 2.452 7.581 12.633
278 1HB LEU 40 1HB LEU 40 2.073 4.843 13.851
279 2HB LEU 40 2HB LEU 40 2.003 5.206 12.138
280 HG LEU 40 HG LEU 40 4.451 5.700 13.851
281 1HD1 LEU 40 1HD1 LEU 40 4.223 3.400 11.936
282 2HD1 LEU 40 2HD1 LEU 40 5.317 3.627 13.322
283 3HD1 LEU 40 3HD1 LEU 40 3.599 3.248 13.596
284 1HD2 LEU 40 1HD2 LEU 40 4.451 7.075 11.887
285 2HD2 LEU 40 2HD2 LEU 40 5.606 5.742 11.641
286 3HD2 LEU 40 3HD2 LEU 40 4.009 5.693 10.855
287 H GLU 41 H GLU 41 0.415 6.638 15.407
288 HA GLU 41 HA GLU 41 -1.953 6.415 13.966
289 1HB GLU 41 1HB GLU 41 -1.335 6.998 16.883
290 2HB GLU 41 2HB GLU 41 -2.986 6.895 16.303
291 1HG GLU 41 1HG GLU 41 -1.360 4.639 15.337
292 2HG GLU 41 2HG GLU 41 -1.346 4.739 17.087
293 H SER 42 H SER 42 -0.415 9.177 15.728
294 HA SER 42 HA SER 42 -2.546 10.921 15.170
295 1HB SER 42 1HB SER 42 -0.221 10.945 16.765
296 2HB SER 42 2HB SER 42 0.043 12.236 15.610
297 HG SER 42 HG SER 42 -1.921 11.998 17.648
298 H ALA 43 H ALA 43 0.401 9.894 13.483
299 HA ALA 43 HA ALA 43 0.496 12.097 11.691
300 1HB ALA 43 1HB ALA 43 2.411 10.580 12.339
301 2HB ALA 43 2HB ALA 43 1.648 9.301 11.365
302 3HB ALA 43 3HB ALA 43 2.206 10.800 10.584
303 H TYR 44 H TYR 44 -0.892 8.764 11.625
304 HA TYR 44 HA TYR 44 -2.183 9.471 9.083
305 1HB TYR 44 1HB TYR 44 -1.534 6.864 10.590
306 2HB TYR 44 2HB TYR 44 -2.495 6.878 9.125
307 HD1 TYR 44 HD1 TYR 44 -1.225 8.468 7.199
308 HD2 TYR 44 HD2 TYR 44 0.636 6.137 10.266
309 HE1 TYR 44 HE1 TYR 44 0.900 8.325 5.811
310 HE2 TYR 44 HE2 TYR 44 2.755 6.002 8.868
311 HH TYR 44 HH TYR 44 3.840 7.054 7.142
312 H GLY 45 H GLY 45 -2.926 7.270 11.879
313 1HA GLY 45 1HA GLY 45 -4.801 6.993 13.085
314 2HA GLY 45 2HA GLY 45 -5.181 8.675 12.772
315 H LEU 46 H LEU 46 -6.217 9.222 10.619
316 HA LEU 46 HA LEU 46 -8.171 7.163 10.018
317 1HB LEU 46 1HB LEU 46 -8.063 10.066 10.013
318 2HB LEU 46 2HB LEU 46 -8.723 9.443 8.514
319 HG LEU 46 HG LEU 46 -10.474 9.948 10.145
320 1HD1 LEU 46 1HD1 LEU 46 -10.225 6.968 9.652
321 2HD1 LEU 46 2HD1 LEU 46 -11.721 7.870 9.991
322 3HD1 LEU 46 3HD1 LEU 46 -10.825 8.168 8.482
323 1HD2 LEU 46 1HD2 LEU 46 -10.385 9.419 12.304
324 2HD2 LEU 46 2HD2 LEU 46 -10.039 7.709 11.948
325 3HD2 LEU 46 3HD2 LEU 46 -8.709 8.890 12.021
326 H ARG 47 H ARG 47 -5.283 8.692 8.700
327 HA ARG 47 HA ARG 47 -5.875 7.682 6.079
328 1HB ARG 47 1HB ARG 47 -3.309 9.025 7.061
329 2HB ARG 47 2HB ARG 47 -3.819 8.837 5.394
330 1HG ARG 47 1HG ARG 47 -5.131 10.694 5.485
331 2HG ARG 47 2HG ARG 47 -5.905 10.166 6.966
332 1HD ARG 47 1HD ARG 47 -4.595 11.520 8.255
333 2HD ARG 47 2HD ARG 47 -3.126 10.989 7.461
334 HE ARG 47 HE ARG 47 -3.191 12.939 6.191
335 1HH1 ARG 47 2HH2 ARG 47 -6.467 12.179 7.226
336 2HH1 ARG 47 1HH2 ARG 47 -7.156 13.605 6.523
337 1HH2 ARG 47 2HH1 ARG 47 -4.100 14.820 5.264
338 2HH2 ARG 47 1HH1 ARG 47 -5.801 15.117 5.400
339 H VAL 48 H VAL 48 -5.682 5.671 8.129
340 HA VAL 48 HA VAL 48 -3.166 4.569 8.455
341 HB VAL 48 HB VAL 48 -5.983 3.714 8.680
342 1HG1 VAL 48 1HG1 VAL 48 -5.448 1.345 8.995
343 2HG1 VAL 48 2HG1 VAL 48 -5.072 1.864 7.334
344 3HG1 VAL 48 3HG1 VAL 48 -3.760 1.650 8.518
345 1HG2 VAL 48 1HG2 VAL 48 -5.458 3.953 10.832
346 2HG2 VAL 48 2HG2 VAL 48 -4.244 2.658 10.696
347 3HG2 VAL 48 3HG2 VAL 48 -3.782 4.347 10.377
348 HA PRO 49 HA PRO 49 -4.026 2.252 4.416
349 1HB PRO 49 1HB PRO 49 -6.060 3.073 2.786
350 2HB PRO 49 2HB PRO 49 -6.222 1.756 3.931
351 1HG PRO 49 1HG PRO 49 -7.279 4.511 4.113
352 2HG PRO 49 2HG PRO 49 -7.770 3.085 5.007
353 1HD PRO 49 1HD PRO 49 -6.140 5.239 5.972
354 2HD PRO 49 2HD PRO 49 -6.535 3.760 6.825
355 H VAL 50 H VAL 50 -2.067 3.729 4.556
356 HA VAL 50 HA VAL 50 -2.232 5.521 2.231
357 HB VAL 50 HB VAL 50 -0.819 5.733 4.870
358 1HG1 VAL 50 1HG1 VAL 50 0.275 6.482 2.267
359 2HG1 VAL 50 2HG1 VAL 50 0.117 7.877 3.361
360 3HG1 VAL 50 3HG1 VAL 50 1.052 6.449 3.868
361 1HG2 VAL 50 1HG2 VAL 50 -3.129 6.774 4.228
362 2HG2 VAL 50 2HG2 VAL 50 -1.929 7.761 5.097
363 3HG2 VAL 50 3HG2 VAL 50 -2.144 7.962 3.342
364 H LEU 51 H LEU 51 -0.982 4.992 0.506
365 HA LEU 51 HA LEU 51 0.903 2.797 0.906
366 1HB LEU 51 1HB LEU 51 -1.021 3.467 -1.090
367 2HB LEU 51 2HB LEU 51 0.565 3.491 -1.835
368 HG LEU 51 HG LEU 51 -0.517 1.164 -0.225
369 1HD1 LEU 51 1HD1 LEU 51 -0.587 0.121 -2.614
370 2HD1 LEU 51 2HD1 LEU 51 -1.929 1.146 -2.051
371 3HD1 LEU 51 3HD1 LEU 51 -0.699 1.815 -3.150
372 1HD2 LEU 51 1HD2 LEU 51 1.537 0.337 -0.305
373 2HD2 LEU 51 2HD2 LEU 51 1.510 0.418 -2.082
374 3HD2 LEU 51 3HD2 LEU 51 2.106 1.804 -1.137
375 H ARG 52 H ARG 52 3.034 3.219 1.067
376 HA ARG 52 HA ARG 52 3.909 5.739 -0.102
377 1HB ARG 52 1HB ARG 52 5.619 5.866 1.681
378 2HB ARG 52 2HB ARG 52 4.023 5.731 2.394
379 1HG ARG 52 1HG ARG 52 4.462 3.158 2.448
380 2HG ARG 52 2HG ARG 52 6.138 3.559 2.130
381 1HD ARG 52 1HD ARG 52 5.366 5.313 4.223
382 2HD ARG 52 2HD ARG 52 4.630 3.777 4.636
383 HE ARG 52 HE ARG 52 6.759 2.895 5.043
384 1HH1 ARG 52 2HH2 ARG 52 7.079 5.818 3.109
385 2HH1 ARG 52 1HH2 ARG 52 8.808 5.849 3.212
386 1HH2 ARG 52 2HH1 ARG 52 9.040 2.936 5.178
387 2HH2 ARG 52 1HH1 ARG 52 9.931 4.199 4.397
388 H ASP 53 H ASP 53 5.949 5.722 -1.243
389 HA ASP 53 HA ASP 53 7.069 3.057 -1.593
390 1HB ASP 53 1HB ASP 53 5.730 4.675 -3.551
391 2HB ASP 53 2HB ASP 53 7.433 4.698 -3.963
392 HA PRO 54 HA PRO 54 10.912 5.163 -1.299
393 1HB PRO 54 1HB PRO 54 12.539 4.013 -3.169
394 2HB PRO 54 2HB PRO 54 12.164 3.260 -1.632
395 1HG PRO 54 1HG PRO 54 11.133 2.595 -4.321
396 2HG PRO 54 2HG PRO 54 11.113 1.619 -2.866
397 1HD PRO 54 1HD PRO 54 8.902 3.050 -4.003
398 2HD PRO 54 2HD PRO 54 8.914 2.169 -2.488
399 H MET 55 H MET 55 10.421 4.817 -4.788
400 HA MET 55 HA MET 55 11.120 7.648 -4.934
401 1HB MET 55 1HB MET 55 11.930 7.141 -7.237
402 2HB MET 55 2HB MET 55 12.731 6.100 -6.078
403 1HG MET 55 1HG MET 55 11.957 4.266 -7.169
404 2HG MET 55 2HG MET 55 10.305 4.768 -6.869
405 1HE MET 55 1HE MET 55 13.364 4.877 -9.073
406 2HE MET 55 2HE MET 55 12.853 5.684 -10.575
407 3HE MET 55 3HE MET 55 13.135 6.641 -9.102
408 H GLY 56 H GLY 56 8.660 5.261 -5.363
409 1HA GLY 56 1HA GLY 56 7.218 6.532 -7.486
410 2HA GLY 56 2HA GLY 56 6.663 5.248 -6.431
411 H ARG 57 H ARG 57 7.645 7.127 -4.066
412 HA ARG 57 HA ARG 57 6.886 8.791 -2.867
413 1HB ARG 57 1HB ARG 57 4.669 9.397 -4.871
414 2HB ARG 57 2HB ARG 57 5.378 10.488 -3.696
415 1HG ARG 57 1HG ARG 57 7.634 9.909 -5.060
416 2HG ARG 57 2HG ARG 57 6.489 9.558 -6.339
417 1HD ARG 57 1HD ARG 57 7.019 11.874 -6.618
418 2HD ARG 57 2HD ARG 57 5.438 11.871 -5.862
419 HE ARG 57 HE ARG 57 7.583 11.924 -3.890
420 1HH1 ARG 57 2HH2 ARG 57 5.686 13.930 -6.072
421 2HH1 ARG 57 1HH2 ARG 57 5.927 15.379 -5.154
422 1HH2 ARG 57 2HH1 ARG 57 7.900 13.835 -2.678
423 2HH2 ARG 57 1HH1 ARG 57 7.194 15.324 -3.211
424 H GLU 58 H GLU 58 4.312 9.587 -2.107
425 HA GLU 58 HA GLU 58 3.144 7.006 -1.436
426 1HB GLU 58 1HB GLU 58 2.535 9.589 0.023
427 2HB GLU 58 2HB GLU 58 2.412 7.944 0.616
428 1HG GLU 58 1HG GLU 58 4.401 8.624 1.639
429 2HG GLU 58 2HG GLU 58 5.026 7.868 0.187
430 H LEU 59 H LEU 59 1.007 6.542 -1.959
431 HA LEU 59 HA LEU 59 -0.331 8.586 -3.565
432 1HB LEU 59 1HB LEU 59 0.164 6.403 -4.592
433 2HB LEU 59 2HB LEU 59 -0.808 5.609 -3.369
434 HG LEU 59 HG LEU 59 -2.782 6.972 -4.187
435 1HD1 LEU 59 1HD1 LEU 59 -2.616 8.480 -5.817
436 2HD1 LEU 59 2HD1 LEU 59 -0.853 8.380 -5.594
437 3HD1 LEU 59 3HD1 LEU 59 -1.650 7.390 -6.840
438 1HD2 LEU 59 1HD2 LEU 59 -2.640 4.653 -4.741
439 2HD2 LEU 59 2HD2 LEU 59 -3.123 5.535 -6.209
440 3HD2 LEU 59 3HD2 LEU 59 -1.445 4.969 -6.022
441 H ASP 60 H ASP 60 -2.525 9.170 -3.169
442 HA ASP 60 HA ASP 60 -3.144 9.503 -0.536
443 1HB ASP 60 1HB ASP 60 -4.176 10.348 -2.945
444 2HB ASP 60 2HB ASP 60 -5.449 9.261 -2.426
445 H TRP 61 H TRP 61 -5.194 8.595 0.609
446 HA TRP 61 HA TRP 61 -5.054 5.772 0.642
447 1HB TRP 61 1HB TRP 61 -5.664 6.339 2.697
448 2HB TRP 61 2HB TRP 61 -6.272 7.903 2.192
449 HD1 TRP 61 HD1 TRP 61 -8.726 8.038 3.077
450 HE1 TRP 61 HE1 TRP 61 -10.902 6.547 3.108
451 HE3 TRP 61 HE3 TRP 61 -6.580 3.940 0.966
452 HZ2 TRP 61 HZ2 TRP 61 -11.470 3.880 2.265
453 HZ3 TRP 61 HZ3 TRP 61 -8.016 1.934 0.605
454 HH2 TRP 61 HH2 TRP 61 -10.381 1.861 1.216
455 HA PRO 62 HA PRO 62 -9.230 6.227 -1.564
456 1HB PRO 62 1HB PRO 62 -10.056 8.674 -2.456
457 2HB PRO 62 2HB PRO 62 -10.562 7.992 -0.922
458 1HG PRO 62 1HG PRO 62 -8.604 10.147 -1.437
459 2HG PRO 62 2HG PRO 62 -9.429 9.747 0.056
460 1HD PRO 62 1HD PRO 62 -6.705 9.148 -0.614
461 2HD PRO 62 2HD PRO 62 -7.564 8.648 0.830
462 H PHE 63 H PHE 63 -8.750 5.029 -3.293
463 HA PHE 63 HA PHE 63 -8.059 6.525 -5.654
464 1HB PHE 63 1HB PHE 63 -6.128 4.646 -5.880
465 2HB PHE 63 2HB PHE 63 -5.803 6.149 -5.039
466 HD1 PHE 63 HD1 PHE 63 -7.820 3.306 -3.769
467 HD2 PHE 63 HD2 PHE 63 -4.173 5.458 -3.498
468 HE1 PHE 63 HE1 PHE 63 -7.215 2.018 -1.701
469 HE2 PHE 63 HE2 PHE 63 -3.567 4.170 -1.430
470 HZ PHE 63 HZ PHE 63 -5.096 2.466 -0.556
471 H ASP 64 H ASP 64 -7.643 4.752 -7.531
472 HA ASP 64 HA ASP 64 -9.746 2.777 -7.115
473 1HB ASP 64 1HB ASP 64 -8.779 3.827 -9.804
474 2HB ASP 64 2HB ASP 64 -10.259 2.949 -9.473
475 H ALA 65 H ALA 65 -9.302 1.096 -9.300
476 HA ALA 65 HA ALA 65 -6.883 -0.225 -8.521
477 1HB ALA 65 1HB ALA 65 -8.115 -1.982 -9.179
478 2HB ALA 65 2HB ALA 65 -9.389 -0.877 -9.750
479 3HB ALA 65 3HB ALA 65 -8.086 -1.380 -10.854
480 HA PRO 66 HA PRO 66 -5.752 1.129 -12.915
481 1HB PRO 66 1HB PRO 66 -7.306 2.957 -14.225
482 2HB PRO 66 2HB PRO 66 -7.458 1.227 -14.458
483 1HG PRO 66 1HG PRO 66 -9.225 3.056 -12.951
484 2HG PRO 66 2HG PRO 66 -9.567 1.445 -13.550
485 1HD PRO 66 1HD PRO 66 -8.977 2.180 -10.841
486 2HD PRO 66 2HD PRO 66 -9.205 0.557 -11.460
487 H ARG 67 H ARG 67 -6.939 3.315 -10.593
488 HA ARG 67 HA ARG 67 -5.267 5.423 -11.525
489 1HB ARG 67 1HB ARG 67 -7.557 5.337 -9.992
490 2HB ARG 67 2HB ARG 67 -6.349 5.515 -8.735
491 1HG ARG 67 1HG ARG 67 -5.686 7.633 -9.461
492 2HG ARG 67 2HG ARG 67 -6.084 7.307 -11.136
493 1HD ARG 67 1HD ARG 67 -8.489 7.196 -9.455
494 2HD ARG 67 2HD ARG 67 -7.665 8.730 -9.263
495 HE ARG 67 HE ARG 67 -7.966 7.854 -12.059
496 1HH1 ARG 67 2HH2 ARG 67 -9.358 9.705 -9.409
497 2HH1 ARG 67 1HH2 ARG 67 -10.335 10.693 -10.443
498 1HH2 ARG 67 2HH1 ARG 67 -9.256 9.157 -13.424
499 2HH2 ARG 67 1HH1 ARG 67 -10.277 10.379 -12.742
500 H LEU 68 H LEU 68 -5.179 2.765 -9.163
501 HA LEU 68 HA LEU 68 -2.908 3.819 -7.763
502 1HB LEU 68 1HB LEU 68 -4.700 2.435 -6.730
503 2HB LEU 68 2HB LEU 68 -4.149 1.066 -7.676
504 HG LEU 68 HG LEU 68 -1.857 2.048 -6.348
505 1HD1 LEU 68 1HD1 LEU 68 -4.034 2.968 -4.917
506 2HD1 LEU 68 2HD1 LEU 68 -3.613 1.448 -4.091
507 3HD1 LEU 68 3HD1 LEU 68 -2.387 2.722 -4.289
508 1HD2 LEU 68 1HD2 LEU 68 -1.787 -0.194 -6.598
509 2HD2 LEU 68 2HD2 LEU 68 -2.470 -0.174 -4.955
510 3HD2 LEU 68 3HD2 LEU 68 -3.540 -0.392 -6.361
511 H ARG 69 H ARG 69 -3.583 1.579 -10.459
512 HA ARG 69 HA ARG 69 -0.983 0.526 -10.493
513 1HB ARG 69 1HB ARG 69 -2.800 -0.731 -11.519
514 2HB ARG 69 2HB ARG 69 -3.229 0.613 -12.559
515 1HG ARG 69 1HG ARG 69 -1.973 -1.039 -13.864
516 2HG ARG 69 2HG ARG 69 -1.016 0.422 -13.717
517 1HD ARG 69 1HD ARG 69 0.554 -0.570 -12.312
518 2HD ARG 69 2HD ARG 69 -0.617 -1.644 -11.573
519 HE ARG 69 HE ARG 69 -0.370 -2.410 -14.303
520 1HH1 ARG 69 2HH2 ARG 69 1.586 -2.352 -11.378
521 2HH1 ARG 69 1HH2 ARG 69 2.563 -3.702 -11.851
522 1HH2 ARG 69 2HH1 ARG 69 0.919 -4.191 -14.928
523 2HH2 ARG 69 1HH1 ARG 69 2.181 -4.755 -13.884
524 H ALA 70 H ALA 70 -2.741 2.993 -12.506
525 HA ALA 70 HA ALA 70 -0.666 3.626 -14.211
526 1HB ALA 70 1HB ALA 70 -1.979 5.977 -14.025
527 2HB ALA 70 2HB ALA 70 -2.647 4.568 -14.883
528 3HB ALA 70 3HB ALA 70 -3.167 4.926 -13.218
529 H TRP 71 H TRP 71 -1.344 4.651 -10.848
530 HA TRP 71 HA TRP 71 0.517 6.753 -10.781
531 1HB TRP 71 1HB TRP 71 -1.238 6.602 -9.158
532 2HB TRP 71 2HB TRP 71 -0.691 5.027 -8.619
533 HD1 TRP 71 HD1 TRP 71 0.496 8.732 -8.518
534 HE1 TRP 71 HE1 TRP 71 2.077 9.151 -6.447
535 HE3 TRP 71 HE3 TRP 71 0.703 3.875 -7.028
536 HZ2 TRP 71 HZ2 TRP 71 3.210 7.442 -4.462
537 HZ3 TRP 71 HZ3 TRP 71 2.068 3.335 -5.013
538 HH2 TRP 71 HH2 TRP 71 3.295 5.026 -3.744
539 H LEU 72 H LEU 72 0.680 3.203 -10.211
540 HA LEU 72 HA LEU 72 3.274 3.166 -9.169
541 1HB LEU 72 1HB LEU 72 1.629 1.094 -10.619
542 2HB LEU 72 2HB LEU 72 3.201 0.760 -9.918
543 HG LEU 72 HG LEU 72 1.018 1.930 -8.210
544 1HD1 LEU 72 1HD1 LEU 72 1.073 -0.902 -7.873
545 2HD1 LEU 72 2HD1 LEU 72 -0.285 0.144 -8.352
546 3HD1 LEU 72 3HD1 LEU 72 0.788 -0.547 -9.593
547 1HD2 LEU 72 1HD2 LEU 72 2.206 0.983 -6.400
548 2HD2 LEU 72 2HD2 LEU 72 3.196 -0.033 -7.476
549 3HD2 LEU 72 3HD2 LEU 72 3.430 1.731 -7.454
550 H ASP 73 H ASP 73 2.018 2.786 -12.546
551 HA ASP 73 HA ASP 73 4.554 2.430 -13.639
552 1HB ASP 73 1HB ASP 73 1.788 2.841 -14.571
553 2HB ASP 73 2HB ASP 73 2.948 3.612 -15.634
554 H ALA 74 H ALA 74 2.457 5.260 -12.929
555 HA ALA 74 HA ALA 74 3.473 7.248 -14.408
556 1HB ALA 74 1HB ALA 74 1.698 7.308 -12.575
557 2HB ALA 74 2HB ALA 74 3.033 7.495 -11.412
558 3HB ALA 74 3HB ALA 74 2.766 8.730 -12.666
559 H ALA 75 H ALA 75 5.085 5.535 -11.720
560 HA ALA 75 HA ALA 75 7.086 5.849 -10.759
561 1HB ALA 75 1HB ALA 75 8.927 5.893 -12.594
562 2HB ALA 75 2HB ALA 75 7.792 4.522 -12.574
563 3HB ALA 75 3HB ALA 75 7.572 5.842 -13.747
564 HA PRO 76 HA PRO 76 7.124 10.388 -11.209
565 1HB PRO 76 1HB PRO 76 6.153 11.055 -8.742
566 2HB PRO 76 2HB PRO 76 5.147 10.954 -10.173
567 1HG PRO 76 1HG PRO 76 5.349 9.060 -7.913
568 2HG PRO 76 2HG PRO 76 4.080 9.206 -9.113
569 1HD PRO 76 1HD PRO 76 6.140 7.212 -9.028
570 2HD PRO 76 2HD PRO 76 4.942 7.428 -10.288
571 H HIS 77 H HIS 77 8.295 12.100 -9.879
572 HA HIS 77 HA HIS 77 10.357 10.705 -8.340
573 1HB HIS 77 1HB HIS 77 10.636 12.454 -10.720
574 2HB HIS 77 2HB HIS 77 11.750 12.777 -9.406
575 HD1 HIS 77 HD1 HIS 77 12.306 11.391 -12.331
576 HD2 HIS 77 HD2 HIS 77 12.239 9.543 -8.566
577 HE1 HIS 77 HE1 HIS 77 13.703 9.267 -12.552
578 H ALA 78 H ALA 78 9.365 14.092 -9.236
579 HA ALA 78 HA ALA 78 8.728 14.618 -6.473
580 1HB ALA 78 1HB ALA 78 11.244 15.542 -7.795
581 2HB ALA 78 2HB ALA 78 10.361 16.736 -6.814
582 3HB ALA 78 3HB ALA 78 10.910 15.210 -6.079
Start of MODEL 3
1 1H MET 1 1H MET 1 14.121 -1.625 -1.148
2 HA MET 1 HA MET 1 12.937 -3.248 0.079
3 1HB MET 1 1HB MET 1 11.405 -2.529 1.915
4 2HB MET 1 2HB MET 1 13.038 -1.988 2.245
5 1HG MET 1 1HG MET 1 12.537 0.267 1.804
6 2HG MET 1 2HG MET 1 11.220 -0.124 0.715
7 1HE MET 1 1HE MET 1 12.496 -0.089 4.337
8 2HE MET 1 2HE MET 1 11.853 1.519 3.922
9 3HE MET 1 3HE MET 1 11.065 0.543 5.185
10 H ALA 2 H ALA 2 10.510 -3.721 -0.136
11 HA ALA 2 HA ALA 2 9.617 -2.640 -2.597
12 1HB ALA 2 1HB ALA 2 9.238 -4.968 -1.221
13 2HB ALA 2 2HB ALA 2 7.707 -4.128 -0.875
14 3HB ALA 2 3HB ALA 2 8.200 -4.423 -2.560
15 H LEU 3 H LEU 3 6.746 -2.537 -1.972
16 HA LEU 3 HA LEU 3 6.635 0.210 -1.252
17 1HB LEU 3 1HB LEU 3 4.695 -1.898 -2.096
18 2HB LEU 3 2HB LEU 3 4.078 -0.441 -1.343
19 HG LEU 3 HG LEU 3 6.015 0.087 -3.492
20 1HD1 LEU 3 1HD1 LEU 3 4.892 -2.003 -4.316
21 2HD1 LEU 3 2HD1 LEU 3 3.352 -1.111 -4.286
22 3HD1 LEU 3 3HD1 LEU 3 4.673 -0.570 -5.349
23 1HD2 LEU 3 1HD2 LEU 3 3.448 1.237 -3.945
24 2HD2 LEU 3 2HD2 LEU 3 3.808 1.349 -2.206
25 3HD2 LEU 3 3HD2 LEU 3 4.946 2.025 -3.396
26 H THR 4 H THR 4 4.464 0.605 0.338
27 HA THR 4 HA THR 4 4.604 -1.063 2.676
28 HB THR 4 HB THR 4 5.694 1.801 2.716
29 HG1 THR 4 HG1 THR 4 6.849 -0.812 3.369
30 1HG2 THR 4 1HG2 THR 4 6.432 0.748 5.083
31 2HG2 THR 4 2HG2 THR 4 4.870 1.582 4.904
32 3HG2 THR 4 3HG2 THR 4 4.941 -0.196 4.856
33 H LEU 5 H LEU 5 2.499 -1.355 3.050
34 HA LEU 5 HA LEU 5 0.787 1.015 2.775
35 1HB LEU 5 1HB LEU 5 0.012 -0.470 1.199
36 2HB LEU 5 2HB LEU 5 0.380 -1.881 2.172
37 HG LEU 5 HG LEU 5 -1.513 -0.945 3.743
38 1HD1 LEU 5 1HD1 LEU 5 -2.103 0.425 1.112
39 2HD1 LEU 5 2HD1 LEU 5 -3.328 0.130 2.369
40 3HD1 LEU 5 3HD1 LEU 5 -1.921 1.162 2.721
41 1HD2 LEU 5 1HD2 LEU 5 -2.905 -2.032 1.454
42 2HD2 LEU 5 2HD2 LEU 5 -1.370 -2.889 1.730
43 3HD2 LEU 5 3HD2 LEU 5 -2.569 -2.766 3.040
44 H TYR 6 H TYR 6 0.590 1.944 4.755
45 HA TYR 6 HA TYR 6 0.883 0.503 7.154
46 1HB TYR 6 1HB TYR 6 -0.362 3.184 6.297
47 2HB TYR 6 2HB TYR 6 -0.201 2.747 7.986
48 HD1 TYR 6 HD1 TYR 6 1.317 4.467 5.334
49 HD2 TYR 6 HD2 TYR 6 2.278 1.993 8.690
50 HE1 TYR 6 HE1 TYR 6 3.680 5.405 5.358
51 HE2 TYR 6 HE2 TYR 6 4.637 2.938 8.702
52 HH TYR 6 HH TYR 6 5.913 4.597 7.948
53 H GLN 7 H GLN 7 -0.580 -0.472 8.521
54 HA GLN 7 HA GLN 7 -3.365 0.023 8.139
55 1HB GLN 7 1HB GLN 7 -3.979 -2.332 7.717
56 2HB GLN 7 2HB GLN 7 -2.973 -1.709 6.424
57 1HG GLN 7 1HG GLN 7 -0.988 -2.695 7.934
58 2HG GLN 7 2HG GLN 7 -2.269 -3.695 8.589
59 1HE2 GLN 7 1HE2 GLN 7 -2.181 -5.616 7.720
60 2HE2 GLN 7 2HE2 GLN 7 -1.982 -6.004 6.043
61 H ARG 8 H ARG 8 -4.682 -0.947 9.909
62 HA ARG 8 HA ARG 8 -3.185 -2.179 12.009
63 1HB ARG 8 1HB ARG 8 -3.943 -0.477 13.720
64 2HB ARG 8 2HB ARG 8 -2.792 0.169 12.568
65 1HG ARG 8 1HG ARG 8 -4.282 1.799 12.061
66 2HG ARG 8 2HG ARG 8 -5.328 0.579 11.363
67 1HD ARG 8 1HD ARG 8 -5.942 0.202 13.991
68 2HD ARG 8 2HD ARG 8 -5.474 1.889 14.063
69 HE ARG 8 HE ARG 8 -7.215 1.523 11.817
70 1HH1 ARG 8 2HH2 ARG 8 -7.303 1.526 15.335
71 2HH1 ARG 8 1HH2 ARG 8 -8.963 2.013 15.420
72 1HH2 ARG 8 2HH1 ARG 8 -9.405 2.166 11.929
73 2HH2 ARG 8 1HH1 ARG 8 -10.167 2.379 13.470
74 H ASP 9 H ASP 9 -4.503 -3.802 12.781
75 HA ASP 9 HA ASP 9 -6.275 -5.021 13.099
76 1HB ASP 9 1HB ASP 9 -7.152 -2.287 14.028
77 2HB ASP 9 2HB ASP 9 -8.361 -3.553 13.971
78 H ASP 10 H ASP 10 -6.497 -5.439 10.720
79 HA ASP 10 HA ASP 10 -7.683 -3.987 8.870
80 1HB ASP 10 1HB ASP 10 -6.870 -6.505 8.906
81 2HB ASP 10 2HB ASP 10 -8.557 -6.875 9.204
82 H CYS 11 H CYS 11 -9.627 -2.849 8.867
83 HA CYS 11 HA CYS 11 -11.844 -4.038 10.369
84 1HB CYS 11 1HB CYS 11 -10.840 -1.259 10.151
85 2HB CYS 11 2HB CYS 11 -12.581 -1.427 10.038
86 HG CYS 11 HG CYS 11 -12.700 -3.118 12.163
87 H HIS 12 H HIS 12 -11.116 -1.809 7.574
88 HA HIS 12 HA HIS 12 -12.470 -3.407 5.727
89 1HB HIS 12 1HB HIS 12 -14.346 -2.340 7.250
90 2HB HIS 12 2HB HIS 12 -14.059 -0.920 6.264
91 HD1 HIS 12 HD1 HIS 12 -15.513 -0.783 4.246
92 HD2 HIS 12 HD2 HIS 12 -14.832 -4.752 5.422
93 HE1 HIS 12 HE1 HIS 12 -16.868 -2.244 2.652
94 H LEU 13 H LEU 13 -11.875 0.072 6.597
95 HA LEU 13 HA LEU 13 -11.432 1.038 4.088
96 1HB LEU 13 1HB LEU 13 -11.445 2.115 6.483
97 2HB LEU 13 2HB LEU 13 -9.707 1.920 6.368
98 HG LEU 13 HG LEU 13 -9.860 3.186 4.142
99 1HD1 LEU 13 1HD1 LEU 13 -11.775 4.639 3.814
100 2HD1 LEU 13 2HD1 LEU 13 -12.293 2.937 3.840
101 3HD1 LEU 13 3HD1 LEU 13 -12.564 3.971 5.263
102 1HD2 LEU 13 1HD2 LEU 13 -9.273 4.004 6.622
103 2HD2 LEU 13 2HD2 LEU 13 -9.287 5.097 5.218
104 3HD2 LEU 13 3HD2 LEU 13 -10.688 5.039 6.315
105 H CYS 14 H CYS 14 -9.293 -0.954 6.144
106 HA CYS 14 HA CYS 14 -7.028 -0.581 4.480
107 1HB CYS 14 1HB CYS 14 -7.465 -2.871 6.410
108 2HB CYS 14 2HB CYS 14 -5.945 -2.194 5.863
109 HG CYS 14 HG CYS 14 -5.917 -1.197 8.098
110 H ASP 15 H ASP 15 -9.721 -2.948 4.804
111 HA ASP 15 HA ASP 15 -8.728 -4.894 3.153
112 1HB ASP 15 1HB ASP 15 -11.178 -4.278 4.461
113 2HB ASP 15 2HB ASP 15 -11.606 -4.500 2.776
114 H GLN 16 H GLN 16 -10.932 -2.080 2.439
115 HA GLN 16 HA GLN 16 -11.186 -2.562 -0.255
116 1HB GLN 16 1HB GLN 16 -11.556 -0.206 1.557
117 2HB GLN 16 2HB GLN 16 -11.458 0.142 -0.157
118 1HG GLN 16 1HG GLN 16 -13.166 -2.021 -0.182
119 2HG GLN 16 2HG GLN 16 -13.576 -1.309 1.366
120 1HE2 GLN 16 1HE2 GLN 16 -15.128 0.112 1.332
121 2HE2 GLN 16 2HE2 GLN 16 -15.571 1.162 0.027
122 H ALA 17 H ALA 17 -8.547 -1.137 1.623
123 HA ALA 17 HA ALA 17 -7.299 0.163 -0.576
124 1HB ALA 17 1HB ALA 17 -5.312 -0.108 1.209
125 2HB ALA 17 2HB ALA 17 -6.620 1.080 1.422
126 3HB ALA 17 3HB ALA 17 -6.682 -0.476 2.284
127 H VAL 18 H VAL 18 -6.775 -2.962 1.191
128 HA VAL 18 HA VAL 18 -4.629 -3.792 -0.392
129 HB VAL 18 HB VAL 18 -6.677 -5.287 1.250
130 1HG1 VAL 18 1HG1 VAL 18 -4.288 -6.801 1.007
131 2HG1 VAL 18 2HG1 VAL 18 -5.916 -7.210 0.417
132 3HG1 VAL 18 3HG1 VAL 18 -4.780 -6.337 -0.639
133 1HG2 VAL 18 1HG2 VAL 18 -4.623 -3.599 2.033
134 2HG2 VAL 18 2HG2 VAL 18 -5.405 -4.839 3.042
135 3HG2 VAL 18 3HG2 VAL 18 -3.898 -5.219 2.173
136 H GLU 19 H GLU 19 -8.174 -3.962 -0.803
137 HA GLU 19 HA GLU 19 -8.181 -5.855 -2.820
138 1HB GLU 19 1HB GLU 19 -10.076 -4.338 -1.440
139 2HB GLU 19 2HB GLU 19 -10.240 -3.753 -3.083
140 1HG GLU 19 1HG GLU 19 -9.988 -6.703 -2.914
141 2HG GLU 19 2HG GLU 19 -11.394 -6.081 -2.074
142 H ALA 20 H ALA 20 -8.103 -2.228 -2.963
143 HA ALA 20 HA ALA 20 -8.109 -2.011 -5.727
144 1HB ALA 20 1HB ALA 20 -8.482 -0.168 -4.095
145 2HB ALA 20 2HB ALA 20 -6.755 -0.224 -3.665
146 3HB ALA 20 3HB ALA 20 -7.248 0.245 -5.310
147 H LEU 21 H LEU 21 -5.442 -2.570 -3.377
148 HA LEU 21 HA LEU 21 -3.344 -2.215 -5.178
149 1HB LEU 21 1HB LEU 21 -3.762 -3.219 -2.483
150 2HB LEU 21 2HB LEU 21 -2.526 -4.130 -3.329
151 HG LEU 21 HG LEU 21 -2.454 -1.118 -3.287
152 1HD1 LEU 21 1HD1 LEU 21 -1.813 -0.968 -1.159
153 2HD1 LEU 21 2HD1 LEU 21 -2.467 -2.611 -0.954
154 3HD1 LEU 21 3HD1 LEU 21 -0.735 -2.379 -1.296
155 1HD2 LEU 21 1HD2 LEU 21 0.112 -1.947 -3.225
156 2HD2 LEU 21 2HD2 LEU 21 -0.637 -3.322 -4.071
157 3HD2 LEU 21 3HD2 LEU 21 -0.808 -1.676 -4.725
158 H ALA 22 H ALA 22 -4.984 -5.270 -4.080
159 HA ALA 22 HA ALA 22 -3.604 -6.952 -5.797
160 1HB ALA 22 1HB ALA 22 -6.385 -7.103 -4.573
161 2HB ALA 22 2HB ALA 22 -5.601 -8.458 -5.419
162 3HB ALA 22 3HB ALA 22 -4.878 -7.800 -3.931
163 H GLN 23 H GLN 23 -6.641 -5.053 -6.252
164 HA GLN 23 HA GLN 23 -7.298 -6.127 -8.703
165 1HB GLN 23 1HB GLN 23 -7.889 -3.498 -7.326
166 2HB GLN 23 2HB GLN 23 -8.430 -3.752 -8.973
167 1HG GLN 23 1HG GLN 23 -9.132 -6.139 -7.615
168 2HG GLN 23 2HG GLN 23 -9.505 -4.859 -6.478
169 1HE2 GLN 23 1HE2 GLN 23 -11.604 -6.125 -7.223
170 2HE2 GLN 23 2HE2 GLN 23 -12.559 -5.305 -8.413
171 H ALA 24 H ALA 24 -5.058 -3.482 -7.778
172 HA ALA 24 HA ALA 24 -4.594 -2.746 -10.520
173 1HB ALA 24 1HB ALA 24 -4.374 -1.489 -8.063
174 2HB ALA 24 2HB ALA 24 -2.677 -1.841 -8.472
175 3HB ALA 24 3HB ALA 24 -3.685 -0.893 -9.593
176 H ARG 25 H ARG 25 -3.733 -5.371 -8.592
177 HA ARG 25 HA ARG 25 -2.193 -6.886 -8.667
178 1HB ARG 25 1HB ARG 25 -2.376 -5.923 -11.483
179 2HB ARG 25 2HB ARG 25 -0.899 -6.798 -11.128
180 1HG ARG 25 1HG ARG 25 -2.993 -8.286 -9.887
181 2HG ARG 25 2HG ARG 25 -3.605 -7.833 -11.465
182 1HD ARG 25 1HD ARG 25 -1.029 -8.606 -12.111
183 2HD ARG 25 2HD ARG 25 -1.364 -9.671 -10.760
184 HE ARG 25 HE ARG 25 -2.579 -9.794 -13.398
185 1HH1 ARG 25 2HH2 ARG 25 -3.154 -10.478 -9.995
186 2HH1 ARG 25 1HH2 ARG 25 -4.336 -11.704 -10.309
187 1HH2 ARG 25 2HH1 ARG 25 -4.139 -11.412 -13.814
188 2HH2 ARG 25 1HH1 ARG 25 -4.900 -12.239 -12.496
189 H ALA 26 H ALA 26 -1.370 -4.424 -7.481
190 HA ALA 26 HA ALA 26 0.947 -3.294 -8.399
191 1HB ALA 26 1HB ALA 26 0.710 -2.172 -6.465
192 2HB ALA 26 2HB ALA 26 -0.647 -3.254 -6.072
193 3HB ALA 26 3HB ALA 26 0.997 -3.648 -5.513
194 H GLY 27 H GLY 27 0.612 -6.127 -6.143
195 1HA GLY 27 1HA GLY 27 2.093 -8.023 -6.869
196 2HA GLY 27 2HA GLY 27 3.395 -6.850 -6.836
197 H ALA 28 H ALA 28 4.579 -7.892 -5.164
198 HA ALA 28 HA ALA 28 3.211 -8.297 -2.632
199 1HB ALA 28 1HB ALA 28 4.606 -10.112 -3.296
200 2HB ALA 28 2HB ALA 28 5.940 -9.023 -3.745
201 3HB ALA 28 3HB ALA 28 5.516 -9.252 -2.032
202 H PHE 29 H PHE 29 4.085 -7.376 -0.622
203 HA PHE 29 HA PHE 29 5.992 -5.268 -0.804
204 1HB PHE 29 1HB PHE 29 4.217 -3.570 0.035
205 2HB PHE 29 2HB PHE 29 4.073 -4.018 -1.653
206 HD1 PHE 29 HD1 PHE 29 2.627 -4.478 1.697
207 HD2 PHE 29 HD2 PHE 29 2.175 -5.246 -2.452
208 HE1 PHE 29 HE1 PHE 29 0.248 -5.180 2.086
209 HE2 PHE 29 HE2 PHE 29 -0.203 -5.948 -2.063
210 HZ PHE 29 HZ PHE 29 -1.138 -5.907 0.201
211 H PHE 30 H PHE 30 5.738 -3.920 1.479
212 HA PHE 30 HA PHE 30 5.603 -6.050 3.482
213 1HB PHE 30 1HB PHE 30 7.059 -3.379 3.142
214 2HB PHE 30 2HB PHE 30 6.938 -4.105 4.733
215 HD1 PHE 30 HD1 PHE 30 8.924 -5.072 5.361
216 HD2 PHE 30 HD2 PHE 30 7.679 -5.456 1.323
217 HE1 PHE 30 HE1 PHE 30 10.943 -6.481 4.873
218 HE2 PHE 30 HE2 PHE 30 9.698 -6.865 0.834
219 HZ PHE 30 HZ PHE 30 11.306 -7.360 2.615
220 H SER 31 H SER 31 4.544 -5.684 5.510
221 HA SER 31 HA SER 31 2.606 -3.515 5.332
222 1HB SER 31 1HB SER 31 2.046 -6.154 5.525
223 2HB SER 31 2HB SER 31 2.216 -5.807 7.235
224 HG SER 31 HG SER 31 0.718 -3.820 6.148
225 H VAL 32 H VAL 32 2.351 -2.091 7.113
226 HA VAL 32 HA VAL 32 4.144 -2.582 9.382
227 HB VAL 32 HB VAL 32 3.756 0.020 7.887
228 1HG1 VAL 32 1HG1 VAL 32 4.576 1.116 9.652
229 2HG1 VAL 32 2HG1 VAL 32 4.380 -0.380 10.596
230 3HG1 VAL 32 3HG1 VAL 32 5.934 -0.025 9.803
231 1HG2 VAL 32 1HG2 VAL 32 5.639 -0.394 6.737
232 2HG2 VAL 32 2HG2 VAL 32 6.480 -1.032 8.170
233 3HG2 VAL 32 3HG2 VAL 32 5.412 -2.092 7.219
234 H PHE 33 H PHE 33 3.267 -2.125 11.392
235 HA PHE 33 HA PHE 33 0.443 -1.391 11.324
236 1HB PHE 33 1HB PHE 33 2.166 -2.420 13.645
237 2HB PHE 33 2HB PHE 33 0.421 -2.516 13.514
238 HD1 PHE 33 HD1 PHE 33 3.150 -4.492 13.541
239 HD2 PHE 33 HD2 PHE 33 -0.189 -3.713 11.039
240 HE1 PHE 33 HE1 PHE 33 3.350 -6.793 12.557
241 HE2 PHE 33 HE2 PHE 33 0.012 -6.014 10.056
242 HZ PHE 33 HZ PHE 33 1.779 -7.526 10.826
243 H ILE 34 H ILE 34 -0.126 0.666 11.828
244 HA ILE 34 HA ILE 34 1.798 2.472 12.868
245 HB ILE 34 HB ILE 34 0.087 4.111 12.669
246 1HG1 ILE 34 1HG1 ILE 34 -2.074 2.214 11.913
247 2HG1 ILE 34 2HG1 ILE 34 -1.664 2.283 13.615
248 1HG2 ILE 34 1HG2 ILE 34 0.792 2.316 10.550
249 2HG2 ILE 34 2HG2 ILE 34 -0.871 2.897 10.296
250 3HG2 ILE 34 3HG2 ILE 34 0.460 4.064 10.485
251 1HD1 ILE 34 1HD1 ILE 34 -2.075 4.670 13.716
252 2HD1 ILE 34 2HD1 ILE 34 -2.208 4.775 11.944
253 3HD1 ILE 34 3HD1 ILE 34 -3.462 3.928 12.882
254 H ASP 35 H ASP 35 -0.183 0.074 14.291
255 HA ASP 35 HA ASP 35 -1.021 1.312 16.588
256 1HB ASP 35 1HB ASP 35 -1.345 -0.885 17.456
257 2HB ASP 35 2HB ASP 35 -1.528 -1.059 15.722
258 H ASP 36 H ASP 36 -0.031 0.519 18.891
259 HA ASP 36 HA ASP 36 1.554 0.940 20.329
260 1HB ASP 36 1HB ASP 36 3.207 -0.681 18.335
261 2HB ASP 36 2HB ASP 36 3.690 -0.367 19.989
262 H ASP 37 H ASP 37 1.245 3.011 18.289
263 HA ASP 37 HA ASP 37 3.738 4.303 18.643
264 1HB ASP 37 1HB ASP 37 3.226 2.899 16.160
265 2HB ASP 37 2HB ASP 37 3.212 4.620 15.829
266 H ALA 38 H ALA 38 2.490 5.977 19.648
267 HA ALA 38 HA ALA 38 0.062 6.922 18.594
268 1HB ALA 38 1HB ALA 38 0.141 7.588 20.753
269 2HB ALA 38 2HB ALA 38 1.919 7.517 20.798
270 3HB ALA 38 3HB ALA 38 1.103 8.963 20.159
271 H ALA 39 H ALA 39 3.491 7.698 18.023
272 HA ALA 39 HA ALA 39 3.143 10.195 16.838
273 1HB ALA 39 1HB ALA 39 5.334 9.566 17.442
274 2HB ALA 39 2HB ALA 39 5.205 7.988 16.629
275 3HB ALA 39 3HB ALA 39 5.347 9.478 15.665
276 H LEU 40 H LEU 40 3.142 6.850 15.445
277 HA LEU 40 HA LEU 40 2.704 7.764 12.805
278 1HB LEU 40 1HB LEU 40 2.264 5.058 14.075
279 2HB LEU 40 2HB LEU 40 2.217 5.387 12.354
280 HG LEU 40 HG LEU 40 4.631 5.706 14.160
281 1HD1 LEU 40 1HD1 LEU 40 5.356 3.663 13.533
282 2HD1 LEU 40 2HD1 LEU 40 3.617 3.361 13.300
283 3HD1 LEU 40 3HD1 LEU 40 4.642 3.781 11.907
284 1HD2 LEU 40 1HD2 LEU 40 5.882 6.069 12.042
285 2HD2 LEU 40 2HD2 LEU 40 4.328 6.163 11.181
286 3HD2 LEU 40 3HD2 LEU 40 4.730 7.370 12.425
287 H GLU 41 H GLU 41 0.603 6.804 15.546
288 HA GLU 41 HA GLU 41 -1.741 6.640 14.079
289 1HB GLU 41 1HB GLU 41 -1.087 7.125 16.993
290 2HB GLU 41 2HB GLU 41 -2.749 7.247 16.453
291 1HG GLU 41 1HG GLU 41 -1.185 4.827 15.576
292 2HG GLU 41 2HG GLU 41 -1.667 4.907 17.259
293 H SER 42 H SER 42 -0.158 9.392 15.809
294 HA SER 42 HA SER 42 -2.265 11.166 15.243
295 1HB SER 42 1HB SER 42 0.065 11.166 16.832
296 2HB SER 42 2HB SER 42 0.342 12.445 15.667
297 HG SER 42 HG SER 42 -0.798 13.134 17.641
298 H ALA 43 H ALA 43 0.672 10.082 13.569
299 HA ALA 43 HA ALA 43 0.806 12.262 11.756
300 1HB ALA 43 1HB ALA 43 2.738 10.840 12.324
301 2HB ALA 43 2HB ALA 43 1.917 9.429 11.614
302 3HB ALA 43 3HB ALA 43 2.406 10.790 10.576
303 H TYR 44 H TYR 44 -0.656 8.959 11.714
304 HA TYR 44 HA TYR 44 -1.986 9.717 9.202
305 1HB TYR 44 1HB TYR 44 -1.253 7.065 10.587
306 2HB TYR 44 2HB TYR 44 -2.247 7.121 9.145
307 HD1 TYR 44 HD1 TYR 44 -0.917 9.084 7.440
308 HD2 TYR 44 HD2 TYR 44 0.791 6.118 10.007
309 HE1 TYR 44 HE1 TYR 44 1.179 9.035 6.002
310 HE2 TYR 44 HE2 TYR 44 2.881 6.079 8.560
311 HH TYR 44 HH TYR 44 2.984 7.694 5.500
312 H GLY 45 H GLY 45 -2.602 7.417 11.950
313 1HA GLY 45 1HA GLY 45 -4.449 7.033 13.170
314 2HA GLY 45 2HA GLY 45 -4.847 8.728 12.968
315 H LEU 46 H LEU 46 -6.082 9.414 11.033
316 HA LEU 46 HA LEU 46 -8.043 7.425 10.371
317 1HB LEU 46 1HB LEU 46 -7.760 10.343 10.247
318 2HB LEU 46 2HB LEU 46 -8.624 9.657 8.885
319 HG LEU 46 HG LEU 46 -10.168 10.348 10.623
320 1HD1 LEU 46 1HD1 LEU 46 -11.451 8.697 9.890
321 2HD1 LEU 46 2HD1 LEU 46 -10.021 7.703 9.522
322 3HD1 LEU 46 3HD1 LEU 46 -10.763 7.630 11.138
323 1HD2 LEU 46 1HD2 LEU 46 -9.109 10.303 12.660
324 2HD2 LEU 46 2HD2 LEU 46 -10.125 8.847 12.779
325 3HD2 LEU 46 3HD2 LEU 46 -8.396 8.696 12.385
326 H ARG 47 H ARG 47 -5.183 8.934 8.910
327 HA ARG 47 HA ARG 47 -5.878 7.839 6.349
328 1HB ARG 47 1HB ARG 47 -3.381 9.353 7.267
329 2HB ARG 47 2HB ARG 47 -3.742 8.934 5.604
330 1HG ARG 47 1HG ARG 47 -4.926 10.856 5.414
331 2HG ARG 47 2HG ARG 47 -6.085 10.225 6.568
332 1HD ARG 47 1HD ARG 47 -5.301 11.551 8.267
333 2HD ARG 47 2HD ARG 47 -3.623 11.245 7.863
334 HE ARG 47 HE ARG 47 -4.378 12.868 5.797
335 1HH1 ARG 47 2HH2 ARG 47 -4.831 13.156 9.275
336 2HH1 ARG 47 1HH2 ARG 47 -4.830 14.888 9.261
337 1HH2 ARG 47 2HH1 ARG 47 -4.376 15.153 5.778
338 2HH2 ARG 47 1HH1 ARG 47 -4.569 16.032 7.258
339 H VAL 48 H VAL 48 -5.541 5.906 8.471
340 HA VAL 48 HA VAL 48 -3.000 4.850 8.701
341 HB VAL 48 HB VAL 48 -5.779 3.999 9.131
342 1HG1 VAL 48 1HG1 VAL 48 -5.043 2.132 7.720
343 2HG1 VAL 48 2HG1 VAL 48 -3.616 1.898 8.759
344 3HG1 VAL 48 3HG1 VAL 48 -5.248 1.616 9.411
345 1HG2 VAL 48 1HG2 VAL 48 -3.407 3.194 10.794
346 2HG2 VAL 48 2HG2 VAL 48 -3.934 4.894 10.772
347 3HG2 VAL 48 3HG2 VAL 48 -5.059 3.619 11.299
348 HA PRO 49 HA PRO 49 -3.996 2.378 4.790
349 1HB PRO 49 1HB PRO 49 -6.148 3.065 3.251
350 2HB PRO 49 2HB PRO 49 -6.195 1.786 4.449
351 1HG PRO 49 1HG PRO 49 -7.345 4.505 4.596
352 2HG PRO 49 2HG PRO 49 -7.730 3.097 5.565
353 1HD PRO 49 1HD PRO 49 -6.132 5.342 6.360
354 2HD PRO 49 2HD PRO 49 -6.422 3.882 7.284
355 H VAL 50 H VAL 50 -2.058 3.809 4.673
356 HA VAL 50 HA VAL 50 -2.437 5.565 2.346
357 HB VAL 50 HB VAL 50 -0.844 5.881 4.869
358 1HG1 VAL 50 1HG1 VAL 50 0.015 6.622 2.159
359 2HG1 VAL 50 2HG1 VAL 50 -0.024 7.993 3.293
360 3HG1 VAL 50 3HG1 VAL 50 0.941 6.547 3.677
361 1HG2 VAL 50 1HG2 VAL 50 -1.983 7.883 5.126
362 2HG2 VAL 50 2HG2 VAL 50 -2.301 8.052 3.383
363 3HG2 VAL 50 3HG2 VAL 50 -3.216 6.865 4.343
364 H LEU 51 H LEU 51 -1.248 5.073 0.558
365 HA LEU 51 HA LEU 51 0.664 2.885 0.865
366 1HB LEU 51 1HB LEU 51 -1.391 3.471 -0.988
367 2HB LEU 51 2HB LEU 51 0.124 3.620 -1.857
368 HG LEU 51 HG LEU 51 -0.801 1.191 -0.297
369 1HD1 LEU 51 1HD1 LEU 51 -0.851 1.922 -3.205
370 2HD1 LEU 51 2HD1 LEU 51 -0.653 0.221 -2.720
371 3HD1 LEU 51 3HD1 LEU 51 -2.092 1.132 -2.204
372 1HD2 LEU 51 1HD2 LEU 51 1.662 1.537 -0.234
373 2HD2 LEU 51 2HD2 LEU 51 1.166 0.055 -1.085
374 3HD2 LEU 51 3HD2 LEU 51 1.678 1.485 -2.013
375 H ARG 52 H ARG 52 2.821 3.231 0.728
376 HA ARG 52 HA ARG 52 3.610 5.768 -0.461
377 1HB ARG 52 1HB ARG 52 5.403 5.959 1.229
378 2HB ARG 52 2HB ARG 52 3.849 5.825 2.029
379 1HG ARG 52 1HG ARG 52 4.217 3.476 2.543
380 2HG ARG 52 2HG ARG 52 5.625 3.403 1.502
381 1HD ARG 52 1HD ARG 52 5.740 5.484 3.649
382 2HD ARG 52 2HD ARG 52 5.744 3.826 4.217
383 HE ARG 52 HE ARG 52 7.602 4.172 2.015
384 1HH1 ARG 52 2HH2 ARG 52 7.214 4.722 5.469
385 2HH1 ARG 52 1HH2 ARG 52 8.914 4.691 5.794
386 1HH2 ARG 52 2HH1 ARG 52 9.846 4.131 2.444
387 2HH2 ARG 52 1HH1 ARG 52 10.422 4.352 4.062
388 H ASP 53 H ASP 53 5.741 5.746 -1.539
389 HA ASP 53 HA ASP 53 6.482 3.028 -2.275
390 1HB ASP 53 1HB ASP 53 6.144 5.549 -3.760
391 2HB ASP 53 2HB ASP 53 7.713 4.832 -4.067
392 HA PRO 54 HA PRO 54 10.529 3.878 -0.807
393 1HB PRO 54 1HB PRO 54 12.193 2.660 -2.600
394 2HB PRO 54 2HB PRO 54 11.318 1.786 -1.358
395 1HG PRO 54 1HG PRO 54 10.769 1.930 -4.260
396 2HG PRO 54 2HG PRO 54 10.193 0.759 -3.090
397 1HD PRO 54 1HD PRO 54 8.704 2.938 -4.212
398 2HD PRO 54 2HD PRO 54 8.167 1.838 -2.958
399 H MET 55 H MET 55 9.913 4.854 -4.063
400 HA MET 55 HA MET 55 12.209 6.312 -4.465
401 1HB MET 55 1HB MET 55 9.535 6.017 -5.628
402 2HB MET 55 2HB MET 55 10.002 7.706 -5.672
403 1HG MET 55 1HG MET 55 12.343 6.553 -6.524
404 2HG MET 55 2HG MET 55 11.195 5.368 -7.114
405 1HE MET 55 1HE MET 55 12.569 9.166 -8.234
406 2HE MET 55 2HE MET 55 10.998 9.829 -7.723
407 3HE MET 55 3HE MET 55 11.982 8.887 -6.577
408 H GLY 56 H GLY 56 9.144 7.163 -2.786
409 1HA GLY 56 1HA GLY 56 9.555 8.686 -0.867
410 2HA GLY 56 2HA GLY 56 10.381 9.734 -2.002
411 H ARG 57 H ARG 57 7.366 7.802 -2.522
412 HA ARG 57 HA ARG 57 5.895 10.289 -2.544
413 1HB ARG 57 1HB ARG 57 5.560 8.245 -4.784
414 2HB ARG 57 2HB ARG 57 4.895 9.865 -4.713
415 1HG ARG 57 1HG ARG 57 7.439 10.612 -4.559
416 2HG ARG 57 2HG ARG 57 7.762 9.019 -5.214
417 1HD ARG 57 1HD ARG 57 6.766 9.501 -7.274
418 2HD ARG 57 2HD ARG 57 5.629 10.642 -6.585
419 HE ARG 57 HE ARG 57 8.300 11.667 -6.280
420 1HH1 ARG 57 2HH2 ARG 57 5.850 11.109 -8.744
421 2HH1 ARG 57 1HH2 ARG 57 6.414 12.382 -9.774
422 1HH2 ARG 57 2HH1 ARG 57 9.043 13.347 -7.639
423 2HH2 ARG 57 1HH1 ARG 57 8.242 13.664 -9.141
424 H GLU 58 H GLU 58 3.496 9.923 -2.379
425 HA GLU 58 HA GLU 58 2.826 7.206 -1.614
426 1HB GLU 58 1HB GLU 58 1.434 8.333 0.308
427 2HB GLU 58 2HB GLU 58 3.145 8.039 0.548
428 1HG GLU 58 1HG GLU 58 2.816 10.295 1.257
429 2HG GLU 58 2HG GLU 58 3.553 10.432 -0.327
430 H LEU 59 H LEU 59 0.543 6.690 -1.853
431 HA LEU 59 HA LEU 59 -0.813 8.620 -3.596
432 1HB LEU 59 1HB LEU 59 -0.152 6.318 -4.442
433 2HB LEU 59 2HB LEU 59 -1.361 5.665 -3.355
434 HG LEU 59 HG LEU 59 -3.067 7.130 -4.530
435 1HD1 LEU 59 1HD1 LEU 59 -0.781 8.232 -5.728
436 2HD1 LEU 59 2HD1 LEU 59 -1.608 7.320 -7.014
437 3HD1 LEU 59 3HD1 LEU 59 -2.485 8.576 -6.109
438 1HD2 LEU 59 1HD2 LEU 59 -2.145 4.594 -5.087
439 2HD2 LEU 59 2HD2 LEU 59 -3.629 5.335 -5.733
440 3HD2 LEU 59 3HD2 LEU 59 -2.124 5.383 -6.682
441 H ASP 60 H ASP 60 -2.965 9.229 -3.181
442 HA ASP 60 HA ASP 60 -3.643 9.507 -0.566
443 1HB ASP 60 1HB ASP 60 -4.705 10.226 -3.071
444 2HB ASP 60 2HB ASP 60 -5.990 9.283 -2.343
445 H TRP 61 H TRP 61 -5.492 8.494 0.676
446 HA TRP 61 HA TRP 61 -5.371 5.714 0.670
447 1HB TRP 61 1HB TRP 61 -6.092 6.264 2.692
448 2HB TRP 61 2HB TRP 61 -6.701 7.817 2.155
449 HD1 TRP 61 HD1 TRP 61 -9.196 7.923 2.919
450 HE1 TRP 61 HE1 TRP 61 -11.347 6.396 2.872
451 HE3 TRP 61 HE3 TRP 61 -6.892 3.836 0.958
452 HZ2 TRP 61 HZ2 TRP 61 -11.833 3.710 2.038
453 HZ3 TRP 61 HZ3 TRP 61 -8.278 1.802 0.558
454 HH2 TRP 61 HH2 TRP 61 -10.666 1.697 1.065
455 HA PRO 62 HA PRO 62 -9.477 5.979 -1.687
456 1HB PRO 62 1HB PRO 62 -10.395 8.386 -2.601
457 2HB PRO 62 2HB PRO 62 -10.916 7.674 -1.087
458 1HG PRO 62 1HG PRO 62 -9.052 9.925 -1.532
459 2HG PRO 62 2HG PRO 62 -9.905 9.479 -0.067
460 1HD PRO 62 1HD PRO 62 -7.134 9.018 -0.648
461 2HD PRO 62 2HD PRO 62 -8.014 8.471 0.765
462 H PHE 63 H PHE 63 -8.855 4.806 -3.390
463 HA PHE 63 HA PHE 63 -8.109 6.370 -5.708
464 1HB PHE 63 1HB PHE 63 -6.189 4.478 -5.901
465 2HB PHE 63 2HB PHE 63 -5.887 5.950 -4.998
466 HD1 PHE 63 HD1 PHE 63 -7.978 3.074 -3.929
467 HD2 PHE 63 HD2 PHE 63 -4.350 5.209 -3.390
468 HE1 PHE 63 HE1 PHE 63 -7.482 1.715 -1.878
469 HE2 PHE 63 HE2 PHE 63 -3.854 3.850 -1.339
470 HZ PHE 63 HZ PHE 63 -5.426 2.119 -0.608
471 H ASP 64 H ASP 64 -7.412 4.413 -7.482
472 HA ASP 64 HA ASP 64 -9.576 2.478 -7.223
473 1HB ASP 64 1HB ASP 64 -8.665 3.718 -9.853
474 2HB ASP 64 2HB ASP 64 -10.085 2.726 -9.586
475 H ALA 65 H ALA 65 -9.082 0.910 -9.475
476 HA ALA 65 HA ALA 65 -6.615 -0.354 -8.769
477 1HB ALA 65 1HB ALA 65 -8.054 -1.218 -11.211
478 2HB ALA 65 2HB ALA 65 -7.549 -2.158 -9.787
479 3HB ALA 65 3HB ALA 65 -9.043 -1.192 -9.732
480 HA PRO 66 HA PRO 66 -5.522 1.270 -13.081
481 1HB PRO 66 1HB PRO 66 -7.137 3.106 -14.300
482 2HB PRO 66 2HB PRO 66 -7.226 1.386 -14.625
483 1HG PRO 66 1HG PRO 66 -9.063 3.069 -13.033
484 2HG PRO 66 2HG PRO 66 -9.344 1.480 -13.716
485 1HD PRO 66 1HD PRO 66 -8.789 2.093 -10.970
486 2HD PRO 66 2HD PRO 66 -8.956 0.497 -11.675
487 H ARG 67 H ARG 67 -6.840 3.326 -10.692
488 HA ARG 67 HA ARG 67 -5.198 5.510 -11.493
489 1HB ARG 67 1HB ARG 67 -7.532 5.321 -10.052
490 2HB ARG 67 2HB ARG 67 -6.380 5.452 -8.738
491 1HG ARG 67 1HG ARG 67 -5.757 7.620 -9.301
492 2HG ARG 67 2HG ARG 67 -6.007 7.368 -11.017
493 1HD ARG 67 1HD ARG 67 -8.565 7.090 -9.694
494 2HD ARG 67 2HD ARG 67 -7.813 8.564 -9.115
495 HE ARG 67 HE ARG 67 -8.920 8.162 -11.729
496 1HH1 ARG 67 2HH2 ARG 67 -6.145 9.654 -10.162
497 2HH1 ARG 67 1HH2 ARG 67 -5.924 10.844 -11.401
498 1HH2 ARG 67 2HH1 ARG 67 -8.629 9.731 -13.364
499 2HH2 ARG 67 1HH1 ARG 67 -7.346 10.888 -13.235
500 H LEU 68 H LEU 68 -5.141 2.800 -9.173
501 HA LEU 68 HA LEU 68 -2.913 3.859 -7.708
502 1HB LEU 68 1HB LEU 68 -4.744 2.426 -6.767
503 2HB LEU 68 2HB LEU 68 -4.085 1.077 -7.671
504 HG LEU 68 HG LEU 68 -1.888 2.086 -6.268
505 1HD1 LEU 68 1HD1 LEU 68 -3.917 3.280 -4.992
506 2HD1 LEU 68 2HD1 LEU 68 -3.932 1.717 -4.141
507 3HD1 LEU 68 3HD1 LEU 68 -2.451 2.705 -4.162
508 1HD2 LEU 68 1HD2 LEU 68 -2.153 -0.009 -4.921
509 2HD2 LEU 68 2HD2 LEU 68 -3.719 -0.263 -5.727
510 3HD2 LEU 68 3HD2 LEU 68 -2.218 -0.242 -6.684
511 H ARG 69 H ARG 69 -3.506 1.484 -10.338
512 HA ARG 69 HA ARG 69 -0.924 0.476 -10.352
513 1HB ARG 69 1HB ARG 69 -2.821 -0.648 -11.481
514 2HB ARG 69 2HB ARG 69 -2.994 0.693 -12.595
515 1HG ARG 69 1HG ARG 69 -1.736 -0.822 -13.875
516 2HG ARG 69 2HG ARG 69 -0.480 0.207 -13.216
517 1HD ARG 69 1HD ARG 69 -0.534 -1.592 -11.213
518 2HD ARG 69 2HD ARG 69 -1.207 -2.625 -12.459
519 HE ARG 69 HE ARG 69 1.210 -1.175 -13.295
520 1HH1 ARG 69 2HH2 ARG 69 -0.053 -4.102 -11.804
521 2HH1 ARG 69 1HH2 ARG 69 1.357 -5.044 -12.159
522 1HH2 ARG 69 2HH1 ARG 69 3.070 -2.417 -13.763
523 2HH2 ARG 69 1HH1 ARG 69 3.145 -4.079 -13.280
524 H ALA 70 H ALA 70 -2.537 3.136 -12.210
525 HA ALA 70 HA ALA 70 -0.459 3.752 -13.917
526 1HB ALA 70 1HB ALA 70 -2.831 4.609 -13.959
527 2HB ALA 70 2HB ALA 70 -2.405 5.697 -12.617
528 3HB ALA 70 3HB ALA 70 -1.597 5.869 -14.194
529 H TRP 71 H TRP 71 -0.945 4.470 -10.459
530 HA TRP 71 HA TRP 71 1.139 6.416 -10.352
531 1HB TRP 71 1HB TRP 71 -0.705 6.489 -8.794
532 2HB TRP 71 2HB TRP 71 -0.337 4.879 -8.209
533 HD1 TRP 71 HD1 TRP 71 1.256 8.433 -8.176
534 HE1 TRP 71 HE1 TRP 71 2.815 8.736 -6.069
535 HE3 TRP 71 HE3 TRP 71 0.856 3.637 -6.535
536 HZ2 TRP 71 HZ2 TRP 71 3.687 6.976 -3.999
537 HZ3 TRP 71 HZ3 TRP 71 2.093 3.012 -4.463
538 HH2 TRP 71 HH2 TRP 71 3.471 4.592 -3.207
539 H LEU 72 H LEU 72 0.752 2.881 -9.783
540 HA LEU 72 HA LEU 72 3.163 2.356 -8.579
541 1HB LEU 72 1HB LEU 72 1.203 0.852 -10.213
542 2HB LEU 72 2HB LEU 72 2.802 0.146 -10.080
543 HG LEU 72 HG LEU 72 1.079 -0.636 -8.404
544 1HD1 LEU 72 1HD1 LEU 72 3.111 -1.335 -7.706
545 2HD1 LEU 72 2HD1 LEU 72 3.838 0.285 -7.825
546 3HD1 LEU 72 3HD1 LEU 72 2.829 -0.137 -6.420
547 1HD2 LEU 72 1HD2 LEU 72 1.362 1.302 -6.402
548 2HD2 LEU 72 2HD2 LEU 72 0.951 2.206 -7.880
549 3HD2 LEU 72 3HD2 LEU 72 -0.109 0.891 -7.317
550 H ASP 73 H ASP 73 2.398 2.404 -12.129
551 HA ASP 73 HA ASP 73 4.955 1.841 -12.948
552 1HB ASP 73 1HB ASP 73 2.469 2.902 -14.111
553 2HB ASP 73 2HB ASP 73 3.880 3.605 -14.878
554 H ALA 74 H ALA 74 3.264 4.948 -12.201
555 HA ALA 74 HA ALA 74 5.030 6.780 -13.147
556 1HB ALA 74 1HB ALA 74 3.365 7.960 -12.192
557 2HB ALA 74 2HB ALA 74 2.951 6.618 -11.099
558 3HB ALA 74 3HB ALA 74 4.232 7.769 -10.649
559 H ALA 75 H ALA 75 5.468 4.453 -10.541
560 HA ALA 75 HA ALA 75 8.083 5.687 -10.002
561 1HB ALA 75 1HB ALA 75 7.280 4.083 -7.791
562 2HB ALA 75 2HB ALA 75 7.467 5.853 -7.849
563 3HB ALA 75 3HB ALA 75 5.890 5.112 -8.214
564 HA PRO 76 HA PRO 76 9.755 1.800 -10.899
565 1HB PRO 76 1HB PRO 76 11.842 1.540 -9.154
566 2HB PRO 76 2HB PRO 76 11.919 2.527 -10.600
567 1HG PRO 76 1HG PRO 76 11.642 3.382 -7.783
568 2HG PRO 76 2HG PRO 76 12.141 4.326 -9.173
569 1HD PRO 76 1HD PRO 76 9.578 4.388 -7.886
570 2HD PRO 76 2HD PRO 76 10.040 5.244 -9.344
571 H HIS 77 H HIS 77 10.635 -0.406 -9.955
572 HA HIS 77 HA HIS 77 8.957 -1.040 -7.659
573 1HB HIS 77 1HB HIS 77 8.254 -1.712 -10.285
574 2HB HIS 77 2HB HIS 77 8.945 -3.183 -9.631
575 HD1 HIS 77 HD1 HIS 77 7.761 -4.203 -7.459
576 HD2 HIS 77 HD2 HIS 77 5.730 -1.036 -9.314
577 HE1 HIS 77 HE1 HIS 77 5.384 -4.239 -6.534
578 H ALA 78 H ALA 78 9.558 -3.320 -6.797
579 HA ALA 78 HA ALA 78 12.107 -4.338 -7.534
580 1HB ALA 78 1HB ALA 78 11.849 -2.420 -5.235
581 2HB ALA 78 2HB ALA 78 12.941 -3.815 -5.063
582 3HB ALA 78 3HB ALA 78 13.191 -2.646 -6.382
Start of MODEL 4
1 1H MET 1 1H MET 1 11.966 -0.774 1.826
2 HA MET 1 HA MET 1 13.480 -0.251 -0.587
3 1HB MET 1 1HB MET 1 13.783 -2.231 1.203
4 2HB MET 1 2HB MET 1 12.483 -2.984 0.301
5 1HG MET 1 1HG MET 1 13.786 -2.879 -1.783
6 2HG MET 1 2HG MET 1 15.043 -1.941 -1.001
7 1HE MET 1 1HE MET 1 16.839 -2.994 0.749
8 2HE MET 1 2HE MET 1 17.444 -4.490 -0.002
9 3HE MET 1 3HE MET 1 17.061 -3.077 -1.015
10 H ALA 2 H ALA 2 10.486 -2.061 0.427
11 HA ALA 2 HA ALA 2 9.501 -1.725 -2.311
12 1HB ALA 2 1HB ALA 2 9.655 -3.955 -0.698
13 2HB ALA 2 2HB ALA 2 7.982 -3.414 -0.420
14 3HB ALA 2 3HB ALA 2 8.542 -3.766 -2.073
15 H LEU 3 H LEU 3 6.736 -1.987 -1.773
16 HA LEU 3 HA LEU 3 6.146 0.685 -1.059
17 1HB LEU 3 1HB LEU 3 4.380 -1.710 -1.574
18 2HB LEU 3 2HB LEU 3 3.792 -0.076 -1.344
19 HG LEU 3 HG LEU 3 5.811 -0.646 -3.498
20 1HD1 LEU 3 1HD1 LEU 3 2.897 -1.372 -3.514
21 2HD1 LEU 3 2HD1 LEU 3 3.702 -0.847 -5.012
22 3HD1 LEU 3 3HD1 LEU 3 4.300 -2.275 -4.134
23 1HD2 LEU 3 1HD2 LEU 3 5.558 1.582 -3.604
24 2HD2 LEU 3 2HD2 LEU 3 4.052 1.191 -4.470
25 3HD2 LEU 3 3HD2 LEU 3 4.008 1.556 -2.729
26 H THR 4 H THR 4 4.158 1.008 0.574
27 HA THR 4 HA THR 4 4.310 -0.691 2.891
28 HB THR 4 HB THR 4 5.402 2.173 2.952
29 HG1 THR 4 HG1 THR 4 7.315 0.811 3.622
30 1HG2 THR 4 1HG2 THR 4 4.341 1.733 5.100
31 2HG2 THR 4 2HG2 THR 4 4.947 0.059 5.116
32 3HG2 THR 4 3HG2 THR 4 6.080 1.418 5.316
33 H LEU 5 H LEU 5 2.189 -1.008 3.180
34 HA LEU 5 HA LEU 5 0.480 1.370 2.977
35 1HB LEU 5 1HB LEU 5 -0.287 -0.098 1.377
36 2HB LEU 5 2HB LEU 5 0.075 -1.519 2.336
37 HG LEU 5 HG LEU 5 -1.830 -0.494 3.906
38 1HD1 LEU 5 1HD1 LEU 5 -2.647 0.475 1.153
39 2HD1 LEU 5 2HD1 LEU 5 -3.607 0.558 2.650
40 3HD1 LEU 5 3HD1 LEU 5 -2.116 1.518 2.494
41 1HD2 LEU 5 1HD2 LEU 5 -2.188 -2.658 3.257
42 2HD2 LEU 5 2HD2 LEU 5 -3.473 -1.840 2.336
43 3HD2 LEU 5 3HD2 LEU 5 -1.955 -2.302 1.528
44 H TYR 6 H TYR 6 0.421 2.259 5.000
45 HA TYR 6 HA TYR 6 0.640 0.747 7.356
46 1HB TYR 6 1HB TYR 6 -0.607 3.485 6.681
47 2HB TYR 6 2HB TYR 6 -0.187 2.986 8.308
48 HD1 TYR 6 HD1 TYR 6 1.084 4.231 5.117
49 HD2 TYR 6 HD2 TYR 6 2.192 2.771 8.983
50 HE1 TYR 6 HE1 TYR 6 3.429 5.164 4.806
51 HE2 TYR 6 HE2 TYR 6 4.532 3.709 8.659
52 HH TYR 6 HH TYR 6 5.994 4.240 6.646
53 H GLN 7 H GLN 7 -0.850 -0.254 8.658
54 HA GLN 7 HA GLN 7 -3.639 0.305 8.120
55 1HB GLN 7 1HB GLN 7 -2.532 -2.534 8.254
56 2HB GLN 7 2HB GLN 7 -4.210 -2.087 8.019
57 1HG GLN 7 1HG GLN 7 -3.769 -1.145 5.843
58 2HG GLN 7 2HG GLN 7 -2.037 -1.138 6.111
59 1HE2 GLN 7 1HE2 GLN 7 -4.871 -3.124 5.555
60 2HE2 GLN 7 2HE2 GLN 7 -4.064 -4.543 4.975
61 H ARG 8 H ARG 8 -5.056 -0.870 9.887
62 HA ARG 8 HA ARG 8 -3.524 -1.079 12.337
63 1HB ARG 8 1HB ARG 8 -5.173 0.312 13.551
64 2HB ARG 8 2HB ARG 8 -4.468 1.231 12.236
65 1HG ARG 8 1HG ARG 8 -6.430 0.896 10.835
66 2HG ARG 8 2HG ARG 8 -7.096 -0.288 11.942
67 1HD ARG 8 1HD ARG 8 -7.983 1.318 13.311
68 2HD ARG 8 2HD ARG 8 -6.520 2.282 13.279
69 HE ARG 8 HE ARG 8 -7.637 2.588 10.726
70 1HH1 ARG 8 2HH2 ARG 8 -8.671 3.201 14.033
71 2HH1 ARG 8 1HH2 ARG 8 -9.711 4.517 13.600
72 1HH2 ARG 8 2HH1 ARG 8 -9.008 4.325 10.153
73 2HH2 ARG 8 1HH1 ARG 8 -9.903 5.161 11.378
74 H ASP 9 H ASP 9 -5.340 -1.756 14.193
75 HA ASP 9 HA ASP 9 -6.023 -4.287 13.702
76 1HB ASP 9 1HB ASP 9 -6.157 -3.365 15.938
77 2HB ASP 9 2HB ASP 9 -7.375 -2.200 15.460
78 H ASP 10 H ASP 10 -8.416 -1.525 13.763
79 HA ASP 10 HA ASP 10 -10.553 -2.826 12.802
80 1HB ASP 10 1HB ASP 10 -10.036 -0.257 13.437
81 2HB ASP 10 2HB ASP 10 -9.976 -0.079 11.695
82 H CYS 11 H CYS 11 -10.816 -4.018 10.909
83 HA CYS 11 HA CYS 11 -9.231 -3.176 8.597
84 1HB CYS 11 1HB CYS 11 -9.530 -5.532 7.797
85 2HB CYS 11 2HB CYS 11 -8.571 -5.377 9.255
86 HG CYS 11 HG CYS 11 -10.272 -6.114 10.951
87 H HIS 12 H HIS 12 -10.474 -2.042 7.146
88 HA HIS 12 HA HIS 12 -12.875 -3.143 6.175
89 1HB HIS 12 1HB HIS 12 -13.774 -2.283 8.283
90 2HB HIS 12 2HB HIS 12 -13.137 -0.688 7.933
91 HD1 HIS 12 HD1 HIS 12 -16.242 -2.265 7.959
92 HD2 HIS 12 HD2 HIS 12 -14.265 0.027 5.054
93 HE1 HIS 12 HE1 HIS 12 -18.051 -1.385 6.390
94 H LEU 13 H LEU 13 -11.545 0.201 6.724
95 HA LEU 13 HA LEU 13 -11.969 0.900 4.013
96 1HB LEU 13 1HB LEU 13 -11.926 2.380 6.100
97 2HB LEU 13 2HB LEU 13 -10.179 2.316 5.977
98 HG LEU 13 HG LEU 13 -10.566 3.143 3.525
99 1HD1 LEU 13 1HD1 LEU 13 -12.556 4.619 3.325
100 2HD1 LEU 13 2HD1 LEU 13 -12.956 2.886 3.413
101 3HD1 LEU 13 3HD1 LEU 13 -13.180 3.926 4.841
102 1HD2 LEU 13 1HD2 LEU 13 -11.119 5.509 4.980
103 2HD2 LEU 13 2HD2 LEU 13 -10.153 4.454 6.040
104 3HD2 LEU 13 3HD2 LEU 13 -9.544 4.891 4.425
105 H CYS 14 H CYS 14 -9.266 -0.453 5.904
106 HA CYS 14 HA CYS 14 -7.344 0.018 3.873
107 1HB CYS 14 1HB CYS 14 -7.264 -1.887 6.236
108 2HB CYS 14 2HB CYS 14 -5.898 -1.465 5.223
109 HG CYS 14 HG CYS 14 -5.307 0.600 6.233
110 H ASP 15 H ASP 15 -9.641 -2.571 4.798
111 HA ASP 15 HA ASP 15 -8.599 -4.636 3.359
112 1HB ASP 15 1HB ASP 15 -10.713 -4.437 4.931
113 2HB ASP 15 2HB ASP 15 -11.585 -4.087 3.452
114 H GLN 16 H GLN 16 -10.709 -1.875 2.385
115 HA GLN 16 HA GLN 16 -11.177 -2.860 -0.208
116 1HB GLN 16 1HB GLN 16 -11.694 -0.320 1.294
117 2HB GLN 16 2HB GLN 16 -11.682 -0.199 -0.454
118 1HG GLN 16 1HG GLN 16 -13.187 -2.502 -0.063
119 2HG GLN 16 2HG GLN 16 -13.639 -1.543 1.332
120 1HE2 GLN 16 1HE2 GLN 16 -14.652 0.438 1.083
121 2HE2 GLN 16 2HE2 GLN 16 -15.417 0.933 -0.390
122 H ALA 17 H ALA 17 -8.583 -1.054 1.353
123 HA ALA 17 HA ALA 17 -7.535 0.101 -1.020
124 1HB ALA 17 1HB ALA 17 -6.954 1.181 0.987
125 2HB ALA 17 2HB ALA 17 -6.565 -0.349 1.810
126 3HB ALA 17 3HB ALA 17 -5.472 0.292 0.560
127 H VAL 18 H VAL 18 -6.686 -2.796 0.996
128 HA VAL 18 HA VAL 18 -4.556 -3.653 -0.536
129 HB VAL 18 HB VAL 18 -6.580 -5.085 1.179
130 1HG1 VAL 18 1HG1 VAL 18 -5.677 -6.647 -0.538
131 2HG1 VAL 18 2HG1 VAL 18 -4.033 -6.278 0.035
132 3HG1 VAL 18 3HG1 VAL 18 -5.197 -7.073 1.122
133 1HG2 VAL 18 1HG2 VAL 18 -3.659 -4.394 1.642
134 2HG2 VAL 18 2HG2 VAL 18 -5.050 -3.491 2.289
135 3HG2 VAL 18 3HG2 VAL 18 -4.763 -5.171 2.802
136 H GLU 19 H GLU 19 -8.090 -4.049 -0.987
137 HA GLU 19 HA GLU 19 -7.988 -6.004 -2.915
138 1HB GLU 19 1HB GLU 19 -9.951 -4.382 -1.704
139 2HB GLU 19 2HB GLU 19 -10.096 -4.027 -3.414
140 1HG GLU 19 1HG GLU 19 -10.777 -6.176 -3.955
141 2HG GLU 19 2HG GLU 19 -9.784 -6.923 -2.719
142 H ALA 20 H ALA 20 -7.979 -2.391 -3.262
143 HA ALA 20 HA ALA 20 -7.893 -2.350 -6.041
144 1HB ALA 20 1HB ALA 20 -7.582 -0.519 -3.791
145 2HB ALA 20 2HB ALA 20 -6.466 -0.114 -5.117
146 3HB ALA 20 3HB ALA 20 -8.216 -0.209 -5.425
147 H LEU 21 H LEU 21 -5.326 -2.686 -3.549
148 HA LEU 21 HA LEU 21 -3.154 -2.332 -5.261
149 1HB LEU 21 1HB LEU 21 -3.671 -3.221 -2.545
150 2HB LEU 21 2HB LEU 21 -2.371 -4.136 -3.284
151 HG LEU 21 HG LEU 21 -2.268 -1.171 -3.580
152 1HD1 LEU 21 1HD1 LEU 21 -1.889 -2.603 -0.947
153 2HD1 LEU 21 2HD1 LEU 21 -1.129 -1.036 -1.314
154 3HD1 LEU 21 3HD1 LEU 21 -2.902 -1.185 -1.307
155 1HD2 LEU 21 1HD2 LEU 21 0.163 -2.335 -2.676
156 2HD2 LEU 21 2HD2 LEU 21 -0.523 -3.405 -3.922
157 3HD2 LEU 21 3HD2 LEU 21 -0.233 -1.687 -4.286
158 H ALA 22 H ALA 22 -4.771 -5.383 -4.125
159 HA ALA 22 HA ALA 22 -3.246 -7.119 -5.635
160 1HB ALA 22 1HB ALA 22 -5.193 -8.655 -5.345
161 2HB ALA 22 2HB ALA 22 -4.738 -7.827 -3.836
162 3HB ALA 22 3HB ALA 22 -6.158 -7.279 -4.759
163 H GLN 23 H GLN 23 -6.307 -5.371 -6.464
164 HA GLN 23 HA GLN 23 -6.672 -6.533 -8.920
165 1HB GLN 23 1HB GLN 23 -7.454 -3.871 -7.718
166 2HB GLN 23 2HB GLN 23 -7.812 -4.190 -9.403
167 1HG GLN 23 1HG GLN 23 -8.611 -6.547 -8.053
168 2HG GLN 23 2HG GLN 23 -9.123 -5.244 -6.999
169 1HE2 GLN 23 1HE2 GLN 23 -11.155 -4.788 -7.315
170 2HE2 GLN 23 2HE2 GLN 23 -11.980 -4.642 -8.831
171 H ALA 24 H ALA 24 -4.719 -3.655 -7.956
172 HA ALA 24 HA ALA 24 -3.982 -3.031 -10.631
173 1HB ALA 24 1HB ALA 24 -2.109 -1.964 -8.777
174 2HB ALA 24 2HB ALA 24 -3.484 -1.132 -9.542
175 3HB ALA 24 3HB ALA 24 -3.695 -1.942 -7.971
176 H ARG 25 H ARG 25 -3.156 -5.554 -8.479
177 HA ARG 25 HA ARG 25 -1.643 -7.095 -8.491
178 1HB ARG 25 1HB ARG 25 -1.521 -6.119 -11.328
179 2HB ARG 25 2HB ARG 25 -0.174 -7.112 -10.808
180 1HG ARG 25 1HG ARG 25 -2.606 -8.340 -9.844
181 2HG ARG 25 2HG ARG 25 -2.834 -7.953 -11.538
182 1HD ARG 25 1HD ARG 25 -0.312 -8.995 -11.669
183 2HD ARG 25 2HD ARG 25 -0.902 -9.870 -10.270
184 HE ARG 25 HE ARG 25 -2.982 -10.173 -12.033
185 1HH1 ARG 25 2HH2 ARG 25 0.486 -10.666 -12.362
186 2HH1 ARG 25 1HH2 ARG 25 0.326 -11.913 -13.552
187 1HH2 ARG 25 2HH1 ARG 25 -3.195 -11.819 -13.604
188 2HH2 ARG 25 1HH1 ARG 25 -1.783 -12.574 -14.264
189 H ALA 26 H ALA 26 -0.935 -4.618 -7.266
190 HA ALA 26 HA ALA 26 1.416 -3.448 -8.000
191 1HB ALA 26 1HB ALA 26 -0.307 -3.172 -5.955
192 2HB ALA 26 2HB ALA 26 0.986 -4.047 -5.099
193 3HB ALA 26 3HB ALA 26 1.341 -2.500 -5.906
194 H GLY 27 H GLY 27 0.903 -6.505 -6.140
195 1HA GLY 27 1HA GLY 27 2.436 -8.312 -6.634
196 2HA GLY 27 2HA GLY 27 3.745 -7.146 -6.655
197 H ALA 28 H ALA 28 5.025 -7.787 -4.936
198 HA ALA 28 HA ALA 28 3.697 -8.339 -2.398
199 1HB ALA 28 1HB ALA 28 5.229 -10.030 -2.787
200 2HB ALA 28 2HB ALA 28 6.357 -8.958 -3.653
201 3HB ALA 28 3HB ALA 28 6.247 -8.889 -1.878
202 H PHE 29 H PHE 29 4.463 -7.287 -0.413
203 HA PHE 29 HA PHE 29 6.155 -5.005 -0.646
204 1HB PHE 29 1HB PHE 29 4.261 -3.442 0.102
205 2HB PHE 29 2HB PHE 29 4.071 -4.032 -1.537
206 HD1 PHE 29 HD1 PHE 29 2.928 -4.538 1.948
207 HD2 PHE 29 HD2 PHE 29 2.174 -5.292 -2.159
208 HE1 PHE 29 HE1 PHE 29 0.648 -5.411 2.528
209 HE2 PHE 29 HE2 PHE 29 -0.107 -6.165 -1.580
210 HZ PHE 29 HZ PHE 29 -0.843 -6.215 0.757
211 H PHE 30 H PHE 30 5.621 -3.614 1.625
212 HA PHE 30 HA PHE 30 5.738 -5.713 3.672
213 1HB PHE 30 1HB PHE 30 6.867 -2.863 3.415
214 2HB PHE 30 2HB PHE 30 6.976 -3.781 4.904
215 HD1 PHE 30 HD1 PHE 30 7.662 -6.469 3.931
216 HD2 PHE 30 HD2 PHE 30 9.045 -2.670 2.642
217 HE1 PHE 30 HE1 PHE 30 9.796 -7.519 3.128
218 HE2 PHE 30 HE2 PHE 30 11.180 -3.720 1.840
219 HZ PHE 30 HZ PHE 30 11.530 -6.131 2.093
220 H SER 31 H SER 31 4.538 -5.492 5.602
221 HA SER 31 HA SER 31 2.455 -3.471 5.393
222 1HB SER 31 1HB SER 31 2.127 -6.144 5.623
223 2HB SER 31 2HB SER 31 2.252 -5.762 7.329
224 HG SER 31 HG SER 31 0.469 -4.332 7.150
225 H VAL 32 H VAL 32 2.046 -2.047 7.144
226 HA VAL 32 HA VAL 32 3.797 -2.354 9.471
227 HB VAL 32 HB VAL 32 3.390 0.138 7.809
228 1HG1 VAL 32 1HG1 VAL 32 5.114 1.058 9.519
229 2HG1 VAL 32 2HG1 VAL 32 3.400 0.971 9.991
230 3HG1 VAL 32 3HG1 VAL 32 4.546 -0.265 10.565
231 1HG2 VAL 32 1HG2 VAL 32 5.921 0.019 7.682
232 2HG2 VAL 32 2HG2 VAL 32 5.793 -1.627 8.348
233 3HG2 VAL 32 3HG2 VAL 32 5.040 -1.239 6.783
234 H PHE 33 H PHE 33 2.759 -2.036 11.402
235 HA PHE 33 HA PHE 33 -0.045 -1.231 11.186
236 1HB PHE 33 1HB PHE 33 1.502 -2.538 13.497
237 2HB PHE 33 2HB PHE 33 -0.240 -2.491 13.314
238 HD1 PHE 33 HD1 PHE 33 2.154 -4.752 13.407
239 HD2 PHE 33 HD2 PHE 33 -0.675 -3.346 10.574
240 HE1 PHE 33 HE1 PHE 33 2.217 -6.974 12.242
241 HE2 PHE 33 HE2 PHE 33 -0.612 -5.569 9.409
242 HZ PHE 33 HZ PHE 33 0.833 -7.356 10.257
243 H ILE 34 H ILE 34 -0.599 0.788 11.839
244 HA ILE 34 HA ILE 34 1.313 2.435 13.141
245 HB ILE 34 HB ILE 34 -0.309 4.152 12.946
246 1HG1 ILE 34 1HG1 ILE 34 -2.533 2.531 11.899
247 2HG1 ILE 34 2HG1 ILE 34 -2.187 2.247 13.593
248 1HG2 ILE 34 1HG2 ILE 34 -1.131 3.661 10.487
249 2HG2 ILE 34 2HG2 ILE 34 0.591 3.919 10.855
250 3HG2 ILE 34 3HG2 ILE 34 -0.035 2.267 10.642
251 1HD1 ILE 34 1HD1 ILE 34 -2.477 5.048 12.425
252 2HD1 ILE 34 2HD1 ILE 34 -3.838 4.136 13.120
253 3HD1 ILE 34 3HD1 ILE 34 -2.453 4.586 14.144
254 H ASP 35 H ASP 35 -0.948 0.062 14.208
255 HA ASP 35 HA ASP 35 -1.861 1.133 16.541
256 1HB ASP 35 1HB ASP 35 -2.395 -1.085 17.164
257 2HB ASP 35 2HB ASP 35 -2.350 -1.158 15.414
258 H ASP 36 H ASP 36 -0.986 1.247 18.698
259 HA ASP 36 HA ASP 36 0.474 1.007 20.328
260 1HB ASP 36 1HB ASP 36 1.306 -1.091 18.867
261 2HB ASP 36 2HB ASP 36 2.675 -0.045 18.546
262 H ASP 37 H ASP 37 2.080 1.656 17.119
263 HA ASP 37 HA ASP 37 3.904 3.484 18.157
264 1HB ASP 37 1HB ASP 37 2.773 3.157 15.339
265 2HB ASP 37 2HB ASP 37 4.148 4.173 15.723
266 H ALA 38 H ALA 38 3.066 5.300 19.256
267 HA ALA 38 HA ALA 38 0.629 6.526 18.509
268 1HB ALA 38 1HB ALA 38 2.690 6.748 20.577
269 2HB ALA 38 2HB ALA 38 2.082 8.341 20.064
270 3HB ALA 38 3HB ALA 38 0.948 7.106 20.664
271 H ALA 39 H ALA 39 4.075 7.016 17.708
272 HA ALA 39 HA ALA 39 3.880 9.584 16.662
273 1HB ALA 39 1HB ALA 39 5.883 8.629 15.230
274 2HB ALA 39 2HB ALA 39 6.051 8.813 16.992
275 3HB ALA 39 3HB ALA 39 5.703 7.213 16.293
276 H LEU 40 H LEU 40 3.546 6.343 15.061
277 HA LEU 40 HA LEU 40 2.948 7.453 12.540
278 1HB LEU 40 1HB LEU 40 2.411 4.709 13.684
279 2HB LEU 40 2HB LEU 40 2.241 5.148 11.996
280 HG LEU 40 HG LEU 40 4.804 5.112 13.610
281 1HD1 LEU 40 1HD1 LEU 40 3.599 3.297 11.543
282 2HD1 LEU 40 2HD1 LEU 40 5.367 3.425 11.705
283 3HD1 LEU 40 3HD1 LEU 40 4.382 2.901 13.092
284 1HD2 LEU 40 1HD2 LEU 40 5.185 6.901 12.190
285 2HD2 LEU 40 2HD2 LEU 40 5.807 5.525 11.248
286 3HD2 LEU 40 3HD2 LEU 40 4.206 6.207 10.876
287 H GLU 41 H GLU 41 1.026 6.569 15.415
288 HA GLU 41 HA GLU 41 -1.445 6.616 14.148
289 1HB GLU 41 1HB GLU 41 -0.585 7.057 17.030
290 2HB GLU 41 2HB GLU 41 -2.272 7.090 16.559
291 1HG GLU 41 1HG GLU 41 -0.920 4.752 15.416
292 2HG GLU 41 2HG GLU 41 -0.714 4.799 17.156
293 H SER 42 H SER 42 0.442 9.169 15.890
294 HA SER 42 HA SER 42 -1.546 11.113 15.556
295 1HB SER 42 1HB SER 42 0.904 10.879 16.924
296 2HB SER 42 2HB SER 42 1.188 12.170 15.773
297 HG SER 42 HG SER 42 -0.321 13.442 16.731
298 H ALA 43 H ALA 43 1.099 9.868 13.555
299 HA ALA 43 HA ALA 43 1.253 12.113 11.822
300 1HB ALA 43 1HB ALA 43 2.017 9.294 11.059
301 2HB ALA 43 2HB ALA 43 2.827 10.829 10.665
302 3HB ALA 43 3HB ALA 43 2.939 10.160 12.311
303 H TYR 44 H TYR 44 -0.500 8.956 11.815
304 HA TYR 44 HA TYR 44 -1.979 9.920 9.464
305 1HB TYR 44 1HB TYR 44 -1.362 7.177 10.719
306 2HB TYR 44 2HB TYR 44 -2.515 7.354 9.411
307 HD1 TYR 44 HD1 TYR 44 0.817 6.596 10.171
308 HD2 TYR 44 HD2 TYR 44 -1.545 8.694 7.286
309 HE1 TYR 44 HE1 TYR 44 2.701 6.399 8.475
310 HE2 TYR 44 HE2 TYR 44 0.347 8.490 5.600
311 HH TYR 44 HH TYR 44 2.597 8.120 5.459
312 H GLY 45 H GLY 45 -2.600 7.574 12.168
313 1HA GLY 45 1HA GLY 45 -4.316 7.404 13.612
314 2HA GLY 45 2HA GLY 45 -4.636 9.110 13.375
315 H LEU 46 H LEU 46 -5.749 9.707 11.201
316 HA LEU 46 HA LEU 46 -7.927 7.807 10.852
317 1HB LEU 46 1HB LEU 46 -7.699 10.638 11.001
318 2HB LEU 46 2HB LEU 46 -8.288 10.239 9.400
319 HG LEU 46 HG LEU 46 -10.108 10.677 10.986
320 1HD1 LEU 46 1HD1 LEU 46 -10.875 9.357 9.266
321 2HD1 LEU 46 2HD1 LEU 46 -9.832 7.983 9.702
322 3HD1 LEU 46 3HD1 LEU 46 -11.273 8.351 10.679
323 1HD2 LEU 46 1HD2 LEU 46 -9.787 10.048 13.104
324 2HD2 LEU 46 2HD2 LEU 46 -10.335 8.438 12.577
325 3HD2 LEU 46 3HD2 LEU 46 -8.595 8.806 12.652
326 H ARG 47 H ARG 47 -5.122 9.216 9.212
327 HA ARG 47 HA ARG 47 -6.022 8.172 6.695
328 1HB ARG 47 1HB ARG 47 -3.411 9.571 7.470
329 2HB ARG 47 2HB ARG 47 -3.879 9.172 5.829
330 1HG ARG 47 1HG ARG 47 -5.176 11.029 5.672
331 2HG ARG 47 2HG ARG 47 -6.054 10.606 7.129
332 1HD ARG 47 1HD ARG 47 -4.872 12.091 8.400
333 2HD ARG 47 2HD ARG 47 -3.336 11.551 7.751
334 HE ARG 47 HE ARG 47 -3.366 13.430 6.381
335 1HH1 ARG 47 2HH2 ARG 47 -6.694 12.505 7.054
336 2HH1 ARG 47 1HH2 ARG 47 -7.376 13.815 6.149
337 1HH2 ARG 47 2HH1 ARG 47 -4.265 15.159 5.187
338 2HH2 ARG 47 1HH1 ARG 47 -5.985 15.335 5.080
339 H VAL 48 H VAL 48 -5.651 6.201 8.767
340 HA VAL 48 HA VAL 48 -3.167 5.027 8.876
341 HB VAL 48 HB VAL 48 -5.974 4.246 9.321
342 1HG1 VAL 48 1HG1 VAL 48 -5.003 1.816 9.782
343 2HG1 VAL 48 2HG1 VAL 48 -5.665 2.271 8.193
344 3HG1 VAL 48 3HG1 VAL 48 -3.904 2.265 8.455
345 1HG2 VAL 48 1HG2 VAL 48 -4.977 4.908 11.277
346 2HG2 VAL 48 2HG2 VAL 48 -4.641 3.162 11.352
347 3HG2 VAL 48 3HG2 VAL 48 -3.377 4.289 10.805
348 HA PRO 49 HA PRO 49 -4.367 2.721 4.919
349 1HB PRO 49 1HB PRO 49 -6.508 3.569 3.447
350 2HB PRO 49 2HB PRO 49 -6.600 2.257 4.605
351 1HG PRO 49 1HG PRO 49 -7.600 5.028 4.859
352 2HG PRO 49 2HG PRO 49 -8.042 3.612 5.792
353 1HD PRO 49 1HD PRO 49 -6.311 5.743 6.622
354 2HD PRO 49 2HD PRO 49 -6.661 4.272 7.508
355 H VAL 50 H VAL 50 -2.355 4.033 4.791
356 HA VAL 50 HA VAL 50 -2.678 5.855 2.507
357 HB VAL 50 HB VAL 50 -1.062 6.093 5.028
358 1HG1 VAL 50 1HG1 VAL 50 0.719 6.738 3.817
359 2HG1 VAL 50 2HG1 VAL 50 -0.230 6.872 2.317
360 3HG1 VAL 50 3HG1 VAL 50 -0.216 8.215 3.485
361 1HG2 VAL 50 1HG2 VAL 50 -3.417 7.131 4.570
362 2HG2 VAL 50 2HG2 VAL 50 -2.148 8.125 5.326
363 3HG2 VAL 50 3HG2 VAL 50 -2.508 8.309 3.592
364 H LEU 51 H LEU 51 -1.601 5.232 0.704
365 HA LEU 51 HA LEU 51 0.279 3.025 1.005
366 1HB LEU 51 1HB LEU 51 -1.772 3.661 -0.826
367 2HB LEU 51 2HB LEU 51 -0.267 3.790 -1.713
368 HG LEU 51 HG LEU 51 -1.186 1.365 -0.144
369 1HD1 LEU 51 1HD1 LEU 51 -2.472 1.004 -1.935
370 2HD1 LEU 51 2HD1 LEU 51 -1.642 2.248 -2.901
371 3HD1 LEU 51 3HD1 LEU 51 -0.955 0.611 -2.778
372 1HD2 LEU 51 1HD2 LEU 51 0.987 0.852 -0.085
373 2HD2 LEU 51 2HD2 LEU 51 0.828 0.542 -1.831
374 3HD2 LEU 51 3HD2 LEU 51 1.415 2.122 -1.258
375 H ARG 52 H ARG 52 2.447 3.285 0.820
376 HA ARG 52 HA ARG 52 3.312 5.790 -0.381
377 1HB ARG 52 1HB ARG 52 3.560 5.910 2.095
378 2HB ARG 52 2HB ARG 52 4.478 4.417 2.095
379 1HG ARG 52 1HG ARG 52 6.391 5.418 1.233
380 2HG ARG 52 2HG ARG 52 5.490 6.586 0.286
381 1HD ARG 52 1HD ARG 52 5.256 8.079 2.077
382 2HD ARG 52 2HD ARG 52 5.309 6.812 3.287
383 HE ARG 52 HE ARG 52 7.595 8.224 2.148
384 1HH1 ARG 52 2HH2 ARG 52 6.570 5.216 3.660
385 2HH1 ARG 52 1HH2 ARG 52 8.152 4.824 4.249
386 1HH2 ARG 52 2HH1 ARG 52 9.682 7.707 2.925
387 2HH2 ARG 52 1HH1 ARG 52 9.933 6.251 3.828
388 H ASP 53 H ASP 53 5.453 5.685 -1.442
389 HA ASP 53 HA ASP 53 6.064 2.946 -2.199
390 1HB ASP 53 1HB ASP 53 6.037 5.563 -3.588
391 2HB ASP 53 2HB ASP 53 7.495 4.643 -3.905
392 HA PRO 54 HA PRO 54 10.113 3.444 -0.581
393 1HB PRO 54 1HB PRO 54 11.766 2.249 -2.400
394 2HB PRO 54 2HB PRO 54 10.797 1.349 -1.250
395 1HG PRO 54 1HG PRO 54 10.362 1.719 -4.150
396 2HG PRO 54 2HG PRO 54 9.677 0.510 -3.083
397 1HD PRO 54 1HD PRO 54 8.360 2.847 -4.099
398 2HD PRO 54 2HD PRO 54 7.715 1.700 -2.942
399 H MET 55 H MET 55 9.651 4.690 -3.764
400 HA MET 55 HA MET 55 12.065 6.056 -3.918
401 1HB MET 55 1HB MET 55 9.294 6.544 -5.135
402 2HB MET 55 2HB MET 55 10.695 7.490 -5.599
403 1HG MET 55 1HG MET 55 11.018 5.862 -7.178
404 2HG MET 55 2HG MET 55 11.704 4.934 -5.859
405 1HE MET 55 1HE MET 55 9.787 1.883 -6.700
406 2HE MET 55 2HE MET 55 10.956 2.845 -7.636
407 3HE MET 55 3HE MET 55 11.183 2.627 -5.884
408 H GLY 56 H GLY 56 8.816 6.997 -2.648
409 1HA GLY 56 1HA GLY 56 9.109 8.426 -0.589
410 2HA GLY 56 2HA GLY 56 10.019 9.499 -1.634
411 H ARG 57 H ARG 57 7.012 7.581 -2.304
412 HA ARG 57 HA ARG 57 5.583 10.086 -2.468
413 1HB ARG 57 1HB ARG 57 5.386 7.989 -4.681
414 2HB ARG 57 2HB ARG 57 4.665 9.587 -4.675
415 1HG ARG 57 1HG ARG 57 7.249 10.328 -4.336
416 2HG ARG 57 2HG ARG 57 7.532 8.795 -5.136
417 1HD ARG 57 1HD ARG 57 5.893 9.546 -6.959
418 2HD ARG 57 2HD ARG 57 5.865 11.124 -6.198
419 HE ARG 57 HE ARG 57 8.594 10.287 -6.649
420 1HH1 ARG 57 2HH2 ARG 57 5.763 11.530 -8.330
421 2HH1 ARG 57 1HH2 ARG 57 6.683 12.269 -9.598
422 1HH2 ARG 57 2HH1 ARG 57 9.808 11.263 -8.322
423 2HH2 ARG 57 1HH1 ARG 57 8.999 12.116 -9.593
424 H GLU 58 H GLU 58 3.160 9.735 -2.477
425 HA GLU 58 HA GLU 58 2.426 7.054 -1.650
426 1HB GLU 58 1HB GLU 58 0.870 8.450 0.070
427 2HB GLU 58 2HB GLU 58 2.451 7.833 0.507
428 1HG GLU 58 1HG GLU 58 2.355 10.174 1.163
429 2HG GLU 58 2HG GLU 58 3.470 10.036 -0.183
430 H LEU 59 H LEU 59 -0.076 6.834 -1.584
431 HA LEU 59 HA LEU 59 -1.230 8.606 -3.623
432 1HB LEU 59 1HB LEU 59 -0.574 6.304 -4.420
433 2HB LEU 59 2HB LEU 59 -1.787 5.656 -3.335
434 HG LEU 59 HG LEU 59 -3.527 6.976 -4.542
435 1HD1 LEU 59 1HD1 LEU 59 -2.994 7.942 -6.735
436 2HD1 LEU 59 2HD1 LEU 59 -2.127 8.766 -5.416
437 3HD1 LEU 59 3HD1 LEU 59 -1.267 7.609 -6.460
438 1HD2 LEU 59 1HD2 LEU 59 -2.066 4.661 -5.488
439 2HD2 LEU 59 2HD2 LEU 59 -3.814 4.992 -5.498
440 3HD2 LEU 59 3HD2 LEU 59 -2.793 5.561 -6.841
441 H ASP 60 H ASP 60 -3.456 9.144 -3.368
442 HA ASP 60 HA ASP 60 -4.218 9.488 -0.749
443 1HB ASP 60 1HB ASP 60 -5.137 10.236 -3.318
444 2HB ASP 60 2HB ASP 60 -6.489 9.371 -2.615
445 H TRP 61 H TRP 61 -5.762 8.346 0.585
446 HA TRP 61 HA TRP 61 -5.846 5.643 0.487
447 1HB TRP 61 1HB TRP 61 -6.660 6.209 2.471
448 2HB TRP 61 2HB TRP 61 -7.250 7.756 1.895
449 HD1 TRP 61 HD1 TRP 61 -9.777 7.846 2.550
450 HE1 TRP 61 HE1 TRP 61 -11.917 6.309 2.396
451 HE3 TRP 61 HE3 TRP 61 -7.364 3.777 0.687
452 HZ2 TRP 61 HZ2 TRP 61 -12.350 3.624 1.531
453 HZ3 TRP 61 HZ3 TRP 61 -8.719 1.738 0.215
454 HH2 TRP 61 HH2 TRP 61 -11.129 1.620 0.607
455 HA PRO 62 HA PRO 62 -9.818 5.942 -2.085
456 1HB PRO 62 1HB PRO 62 -10.657 8.355 -3.056
457 2HB PRO 62 2HB PRO 62 -11.267 7.655 -1.570
458 1HG PRO 62 1HG PRO 62 -9.357 9.884 -1.921
459 2HG PRO 62 2HG PRO 62 -10.293 9.453 -0.503
460 1HD PRO 62 1HD PRO 62 -7.500 8.959 -0.931
461 2HD PRO 62 2HD PRO 62 -8.461 8.427 0.434
462 H PHE 63 H PHE 63 -9.135 4.760 -3.757
463 HA PHE 63 HA PHE 63 -8.244 6.303 -6.034
464 1HB PHE 63 1HB PHE 63 -6.354 4.338 -6.084
465 2HB PHE 63 2HB PHE 63 -6.058 5.863 -5.273
466 HD1 PHE 63 HD1 PHE 63 -8.216 3.072 -4.107
467 HD2 PHE 63 HD2 PHE 63 -4.611 5.238 -3.545
468 HE1 PHE 63 HE1 PHE 63 -7.817 1.848 -1.952
469 HE2 PHE 63 HE2 PHE 63 -4.211 4.014 -1.390
470 HZ PHE 63 HZ PHE 63 -5.819 2.334 -0.620
471 H ASP 64 H ASP 64 -7.459 4.316 -7.749
472 HA ASP 64 HA ASP 64 -9.664 2.416 -7.606
473 1HB ASP 64 1HB ASP 64 -8.569 3.613 -10.185
474 2HB ASP 64 2HB ASP 64 -10.017 2.643 -9.999
475 H ALA 65 H ALA 65 -9.047 0.828 -9.822
476 HA ALA 65 HA ALA 65 -6.658 -0.476 -8.940
477 1HB ALA 65 1HB ALA 65 -9.054 -1.197 -10.203
478 2HB ALA 65 2HB ALA 65 -7.808 -1.426 -11.453
479 3HB ALA 65 3HB ALA 65 -7.660 -2.257 -9.886
480 HA PRO 66 HA PRO 66 -5.243 1.097 -13.176
481 1HB PRO 66 1HB PRO 66 -6.743 2.944 -14.521
482 2HB PRO 66 2HB PRO 66 -6.834 1.223 -14.837
483 1HG PRO 66 1HG PRO 66 -8.752 2.946 -13.391
484 2HG PRO 66 2HG PRO 66 -9.008 1.355 -14.079
485 1HD PRO 66 1HD PRO 66 -8.638 1.985 -11.305
486 2HD PRO 66 2HD PRO 66 -8.778 0.385 -12.007
487 H ARG 67 H ARG 67 -6.710 3.208 -10.919
488 HA ARG 67 HA ARG 67 -4.984 5.357 -11.617
489 1HB ARG 67 1HB ARG 67 -7.409 5.199 -10.322
490 2HB ARG 67 2HB ARG 67 -6.338 5.345 -8.943
491 1HG ARG 67 1HG ARG 67 -5.670 7.501 -9.501
492 2HG ARG 67 2HG ARG 67 -5.815 7.222 -11.225
493 1HD ARG 67 1HD ARG 67 -8.454 6.972 -10.091
494 2HD ARG 67 2HD ARG 67 -7.740 8.432 -9.435
495 HE ARG 67 HE ARG 67 -8.638 8.067 -12.137
496 1HH1 ARG 67 2HH2 ARG 67 -6.014 9.548 -10.319
497 2HH1 ARG 67 1HH2 ARG 67 -5.699 10.760 -11.515
498 1HH2 ARG 67 2HH1 ARG 67 -8.223 9.667 -13.715
499 2HH2 ARG 67 1HH1 ARG 67 -6.964 10.829 -13.460
500 H LEU 68 H LEU 68 -5.097 2.654 -9.297
501 HA LEU 68 HA LEU 68 -2.966 3.702 -7.686
502 1HB LEU 68 1HB LEU 68 -4.858 2.294 -6.852
503 2HB LEU 68 2HB LEU 68 -4.176 0.936 -7.725
504 HG LEU 68 HG LEU 68 -2.063 1.964 -6.164
505 1HD1 LEU 68 1HD1 LEU 68 -4.699 2.242 -4.818
506 2HD1 LEU 68 2HD1 LEU 68 -3.377 1.512 -3.875
507 3HD1 LEU 68 3HD1 LEU 68 -3.178 3.136 -4.577
508 1HD2 LEU 68 1HD2 LEU 68 -1.860 -0.192 -5.484
509 2HD2 LEU 68 2HD2 LEU 68 -3.605 -0.386 -5.185
510 3HD2 LEU 68 3HD2 LEU 68 -2.973 -0.453 -6.848
511 H ARG 69 H ARG 69 -3.401 1.348 -10.361
512 HA ARG 69 HA ARG 69 -0.785 0.377 -10.188
513 1HB ARG 69 1HB ARG 69 -2.892 -0.624 -11.392
514 2HB ARG 69 2HB ARG 69 -2.461 0.419 -12.733
515 1HG ARG 69 1HG ARG 69 -0.168 -1.129 -11.654
516 2HG ARG 69 2HG ARG 69 -1.450 -2.137 -12.294
517 1HD ARG 69 1HD ARG 69 -1.061 0.049 -14.139
518 2HD ARG 69 2HD ARG 69 0.519 -0.605 -13.753
519 HE ARG 69 HE ARG 69 -0.058 -2.621 -14.824
520 1HH1 ARG 69 2HH2 ARG 69 -2.931 -0.637 -14.385
521 2HH1 ARG 69 1HH2 ARG 69 -3.930 -1.635 -15.388
522 1HH2 ARG 69 2HH1 ARG 69 -1.376 -3.938 -16.148
523 2HH2 ARG 69 1HH1 ARG 69 -3.039 -3.525 -16.398
524 H ALA 70 H ALA 70 -2.431 2.842 -12.279
525 HA ALA 70 HA ALA 70 -0.260 3.453 -13.892
526 1HB ALA 70 1HB ALA 70 -2.474 5.306 -12.923
527 2HB ALA 70 2HB ALA 70 -1.511 5.477 -14.410
528 3HB ALA 70 3HB ALA 70 -2.650 4.120 -14.240
529 H TRP 71 H TRP 71 -1.054 4.342 -10.544
530 HA TRP 71 HA TRP 71 0.818 6.489 -10.423
531 1HB TRP 71 1HB TRP 71 -1.095 6.489 -8.979
532 2HB TRP 71 2HB TRP 71 -0.670 4.924 -8.313
533 HD1 TRP 71 HD1 TRP 71 0.603 8.595 -8.241
534 HE1 TRP 71 HE1 TRP 71 2.015 9.055 -6.060
535 HE3 TRP 71 HE3 TRP 71 0.593 3.787 -6.587
536 HZ2 TRP 71 HZ2 TRP 71 2.948 7.395 -3.936
537 HZ3 TRP 71 HZ3 TRP 71 1.778 3.291 -4.450
538 HH2 TRP 71 HH2 TRP 71 2.928 5.002 -3.138
539 H LEU 72 H LEU 72 0.756 2.963 -9.719
540 HA LEU 72 HA LEU 72 3.218 2.848 -8.401
541 1HB LEU 72 1HB LEU 72 1.589 0.830 -9.933
542 2HB LEU 72 2HB LEU 72 3.109 0.417 -9.163
543 HG LEU 72 HG LEU 72 0.938 1.725 -7.548
544 1HD1 LEU 72 1HD1 LEU 72 -0.442 0.064 -8.244
545 2HD1 LEU 72 2HD1 LEU 72 0.896 -1.024 -8.686
546 3HD1 LEU 72 3HD1 LEU 72 0.430 -0.835 -6.979
547 1HD2 LEU 72 1HD2 LEU 72 1.959 0.342 -5.744
548 2HD2 LEU 72 2HD2 LEU 72 3.189 -0.198 -6.912
549 3HD2 LEU 72 3HD2 LEU 72 3.074 1.523 -6.472
550 H ASP 73 H ASP 73 2.312 2.488 -11.885
551 HA ASP 73 HA ASP 73 4.896 1.919 -12.720
552 1HB ASP 73 1HB ASP 73 2.593 3.265 -14.210
553 2HB ASP 73 2HB ASP 73 4.029 2.627 -14.985
554 H ALA 74 H ALA 74 3.051 4.933 -12.115
555 HA ALA 74 HA ALA 74 4.565 6.770 -13.478
556 1HB ALA 74 1HB ALA 74 3.551 7.383 -10.713
557 2HB ALA 74 2HB ALA 74 3.425 8.341 -12.207
558 3HB ALA 74 3HB ALA 74 2.385 6.915 -11.974
559 H ALA 75 H ALA 75 5.408 4.776 -10.724
560 HA ALA 75 HA ALA 75 7.189 6.170 -9.300
561 1HB ALA 75 1HB ALA 75 6.605 3.757 -9.041
562 2HB ALA 75 2HB ALA 75 7.651 3.381 -10.432
563 3HB ALA 75 3HB ALA 75 8.357 4.054 -8.943
564 HA PRO 76 HA PRO 76 10.210 7.552 -12.088
565 1HB PRO 76 1HB PRO 76 12.073 8.459 -10.305
566 2HB PRO 76 2HB PRO 76 10.667 9.391 -10.780
567 1HG PRO 76 1HG PRO 76 11.162 7.943 -8.251
568 2HG PRO 76 2HG PRO 76 9.991 9.203 -8.583
569 1HD PRO 76 1HD PRO 76 9.470 6.391 -8.357
570 2HD PRO 76 2HD PRO 76 8.321 7.638 -8.803
571 H HIS 77 H HIS 77 12.615 7.389 -12.637
572 HA HIS 77 HA HIS 77 14.041 5.859 -13.409
573 1HB HIS 77 1HB HIS 77 14.649 4.825 -10.723
574 2HB HIS 77 2HB HIS 77 15.685 5.626 -11.888
575 HD1 HIS 77 HD1 HIS 77 15.657 8.299 -11.884
576 HD2 HIS 77 HD2 HIS 77 13.612 6.461 -8.716
577 HE1 HIS 77 HE1 HIS 77 15.285 10.111 -10.127
578 H ALA 78 H ALA 78 12.739 4.393 -14.586
579 HA ALA 78 HA ALA 78 12.389 1.836 -13.212
580 1HB ALA 78 1HB ALA 78 10.150 1.960 -13.315
581 2HB ALA 78 2HB ALA 78 10.278 3.615 -13.958
582 3HB ALA 78 3HB ALA 78 10.234 2.229 -15.073
Start of MODEL 5
1 1H MET 1 1H MET 1 12.983 -1.354 2.124
2 HA MET 1 HA MET 1 13.578 -1.262 -0.295
3 1HB MET 1 1HB MET 1 12.534 -3.745 1.136
4 2HB MET 1 2HB MET 1 13.196 -3.887 -0.480
5 1HG MET 1 1HG MET 1 15.218 -4.101 0.568
6 2HG MET 1 2HG MET 1 15.148 -2.360 0.757
7 1HE MET 1 1HE MET 1 13.381 -5.326 3.718
8 2HE MET 1 2HE MET 1 13.587 -5.492 1.957
9 3HE MET 1 3HE MET 1 14.954 -5.821 3.048
10 H ALA 2 H ALA 2 10.418 -2.895 0.487
11 HA ALA 2 HA ALA 2 9.617 -2.410 -2.289
12 1HB ALA 2 1HB ALA 2 7.686 -4.008 -1.110
13 2HB ALA 2 2HB ALA 2 9.066 -4.593 -2.069
14 3HB ALA 2 3HB ALA 2 9.178 -4.532 -0.294
15 H LEU 3 H LEU 3 6.845 -2.431 -2.007
16 HA LEU 3 HA LEU 3 6.355 0.218 -1.286
17 1HB LEU 3 1HB LEU 3 4.528 -2.126 -1.801
18 2HB LEU 3 2HB LEU 3 3.944 -0.500 -1.508
19 HG LEU 3 HG LEU 3 5.904 -1.098 -3.726
20 1HD1 LEU 3 1HD1 LEU 3 2.903 -1.036 -4.081
21 2HD1 LEU 3 2HD1 LEU 3 4.152 -1.472 -5.271
22 3HD1 LEU 3 3HD1 LEU 3 3.831 -2.542 -3.885
23 1HD2 LEU 3 1HD2 LEU 3 4.347 1.240 -2.814
24 2HD2 LEU 3 2HD2 LEU 3 5.885 1.150 -3.706
25 3HD2 LEU 3 3HD2 LEU 3 4.342 0.955 -4.571
26 H THR 4 H THR 4 4.314 0.639 0.305
27 HA THR 4 HA THR 4 4.438 -0.961 2.695
28 HB THR 4 HB THR 4 5.633 1.852 2.547
29 HG1 THR 4 HG1 THR 4 7.420 0.549 3.444
30 1HG2 THR 4 1HG2 THR 4 4.764 2.066 4.685
31 2HG2 THR 4 2HG2 THR 4 4.429 0.323 4.821
32 3HG2 THR 4 3HG2 THR 4 6.075 0.938 5.107
33 H LEU 5 H LEU 5 2.364 -1.203 3.213
34 HA LEU 5 HA LEU 5 0.644 1.148 2.830
35 1HB LEU 5 1HB LEU 5 -0.090 -0.384 1.254
36 2HB LEU 5 2HB LEU 5 0.195 -1.764 2.296
37 HG LEU 5 HG LEU 5 -1.716 -0.609 3.755
38 1HD1 LEU 5 1HD1 LEU 5 -3.468 0.290 2.168
39 2HD1 LEU 5 2HD1 LEU 5 -2.079 1.357 2.487
40 3HD1 LEU 5 3HD1 LEU 5 -2.171 0.448 0.959
41 1HD2 LEU 5 1HD2 LEU 5 -3.355 -2.058 2.599
42 2HD2 LEU 5 2HD2 LEU 5 -2.180 -2.303 1.285
43 3HD2 LEU 5 3HD2 LEU 5 -1.810 -2.878 2.928
44 H TYR 6 H TYR 6 0.599 2.084 4.834
45 HA TYR 6 HA TYR 6 0.786 0.613 7.223
46 1HB TYR 6 1HB TYR 6 -0.461 3.355 6.570
47 2HB TYR 6 2HB TYR 6 0.115 2.870 8.152
48 HD1 TYR 6 HD1 TYR 6 2.614 2.418 8.454
49 HD2 TYR 6 HD2 TYR 6 1.003 4.336 4.986
50 HE1 TYR 6 HE1 TYR 6 4.910 3.358 7.898
51 HE2 TYR 6 HE2 TYR 6 3.305 5.270 4.442
52 HH TYR 6 HH TYR 6 5.990 4.860 6.678
53 H GLN 7 H GLN 7 -0.736 -0.296 8.563
54 HA GLN 7 HA GLN 7 -3.434 0.462 8.435
55 1HB GLN 7 1HB GLN 7 -4.460 -1.414 7.410
56 2HB GLN 7 2HB GLN 7 -3.138 -1.008 6.334
57 1HG GLN 7 1HG GLN 7 -1.957 -2.763 8.191
58 2HG GLN 7 2HG GLN 7 -3.555 -3.441 7.946
59 1HE2 GLN 7 1HE2 GLN 7 -3.142 -5.146 6.708
60 2HE2 GLN 7 2HE2 GLN 7 -2.405 -5.116 5.141
61 H ARG 8 H ARG 8 -4.781 -0.868 10.006
62 HA ARG 8 HA ARG 8 -3.148 -2.478 11.755
63 1HB ARG 8 1HB ARG 8 -4.263 -1.209 13.748
64 2HB ARG 8 2HB ARG 8 -2.926 -0.423 12.932
65 1HG ARG 8 1HG ARG 8 -4.245 1.321 12.331
66 2HG ARG 8 2HG ARG 8 -5.378 0.246 11.537
67 1HD ARG 8 1HD ARG 8 -6.577 -0.156 13.641
68 2HD ARG 8 2HD ARG 8 -5.360 0.712 14.556
69 HE ARG 8 HE ARG 8 -6.266 2.535 12.618
70 1HH1 ARG 8 2HH2 ARG 8 -7.691 0.708 15.266
71 2HH1 ARG 8 1HH2 ARG 8 -8.929 1.878 15.577
72 1HH2 ARG 8 2HH1 ARG 8 -7.900 4.079 13.027
73 2HH2 ARG 8 1HH1 ARG 8 -9.049 3.809 14.295
74 H ASP 9 H ASP 9 -4.304 -4.391 11.696
75 HA ASP 9 HA ASP 9 -5.931 -5.785 12.100
76 1HB ASP 9 1HB ASP 9 -6.825 -3.477 13.513
77 2HB ASP 9 2HB ASP 9 -8.212 -4.019 12.589
78 H ASP 10 H ASP 10 -7.692 -6.716 10.803
79 HA ASP 10 HA ASP 10 -8.169 -5.169 8.402
80 1HB ASP 10 1HB ASP 10 -9.278 -7.814 8.224
81 2HB ASP 10 2HB ASP 10 -7.900 -7.162 7.360
82 H CYS 11 H CYS 11 -10.233 -4.315 8.036
83 HA CYS 11 HA CYS 11 -12.440 -5.523 9.526
84 1HB CYS 11 1HB CYS 11 -11.531 -2.682 9.568
85 2HB CYS 11 2HB CYS 11 -13.260 -2.957 9.487
86 HG CYS 11 HG CYS 11 -11.042 -3.570 11.769
87 H HIS 12 H HIS 12 -11.773 -2.875 7.107
88 HA HIS 12 HA HIS 12 -12.893 -4.322 4.978
89 1HB HIS 12 1HB HIS 12 -14.752 -2.821 6.650
90 2HB HIS 12 2HB HIS 12 -14.763 -2.246 4.995
91 HD1 HIS 12 HD1 HIS 12 -14.516 -4.781 3.352
92 HD2 HIS 12 HD2 HIS 12 -16.854 -4.548 6.827
93 HE1 HIS 12 HE1 HIS 12 -16.250 -6.644 3.173
94 H LEU 13 H LEU 13 -12.706 -0.917 6.250
95 HA LEU 13 HA LEU 13 -12.168 0.367 3.931
96 1HB LEU 13 1HB LEU 13 -12.526 1.348 6.188
97 2HB LEU 13 2HB LEU 13 -10.876 0.928 6.603
98 HG LEU 13 HG LEU 13 -10.484 2.348 4.297
99 1HD1 LEU 13 1HD1 LEU 13 -11.856 4.383 4.434
100 2HD1 LEU 13 2HD1 LEU 13 -12.833 2.938 4.076
101 3HD1 LEU 13 3HD1 LEU 13 -12.835 3.630 5.716
102 1HD2 LEU 13 1HD2 LEU 13 -9.769 4.190 5.763
103 2HD2 LEU 13 2HD2 LEU 13 -10.603 3.415 7.131
104 3HD2 LEU 13 3HD2 LEU 13 -9.221 2.604 6.356
105 H CYS 14 H CYS 14 -9.833 -1.416 6.034
106 HA CYS 14 HA CYS 14 -7.607 -0.769 4.447
107 1HB CYS 14 1HB CYS 14 -7.199 -1.413 6.697
108 2HB CYS 14 2HB CYS 14 -8.117 -2.898 6.535
109 HG CYS 14 HG CYS 14 -6.488 -4.302 5.436
110 H ASP 15 H ASP 15 -9.949 -3.517 4.594
111 HA ASP 15 HA ASP 15 -8.727 -5.231 2.893
112 1HB ASP 15 1HB ASP 15 -10.907 -5.543 4.186
113 2HB ASP 15 2HB ASP 15 -11.718 -4.616 2.940
114 H GLN 16 H GLN 16 -10.871 -2.394 2.207
115 HA GLN 16 HA GLN 16 -11.096 -2.804 -0.516
116 1HB GLN 16 1HB GLN 16 -11.569 -0.584 1.401
117 2HB GLN 16 2HB GLN 16 -11.258 -0.057 -0.241
118 1HG GLN 16 1HG GLN 16 -12.999 -2.098 -0.756
119 2HG GLN 16 2HG GLN 16 -13.557 -1.647 0.843
120 1HE2 GLN 16 1HE2 GLN 16 -14.881 0.003 1.055
121 2HE2 GLN 16 2HE2 GLN 16 -15.249 1.199 -0.142
122 H ALA 17 H ALA 17 -8.600 -1.166 1.474
123 HA ALA 17 HA ALA 17 -7.251 0.061 -0.662
124 1HB ALA 17 1HB ALA 17 -5.412 -0.555 1.409
125 2HB ALA 17 2HB ALA 17 -6.290 0.971 1.153
126 3HB ALA 17 3HB ALA 17 -6.985 -0.290 2.199
127 H VAL 18 H VAL 18 -6.878 -3.129 1.004
128 HA VAL 18 HA VAL 18 -4.624 -3.914 -0.469
129 HB VAL 18 HB VAL 18 -6.763 -5.540 0.920
130 1HG1 VAL 18 1HG1 VAL 18 -5.288 -6.766 -0.756
131 2HG1 VAL 18 2HG1 VAL 18 -3.920 -6.394 0.320
132 3HG1 VAL 18 3HG1 VAL 18 -5.274 -7.388 0.911
133 1HG2 VAL 18 1HG2 VAL 18 -5.941 -4.601 2.779
134 2HG2 VAL 18 2HG2 VAL 18 -4.463 -5.547 2.481
135 3HG2 VAL 18 3HG2 VAL 18 -4.577 -3.868 1.902
136 H GLU 19 H GLU 19 -8.162 -4.176 -1.018
137 HA GLU 19 HA GLU 19 -8.077 -5.968 -3.091
138 1HB GLU 19 1HB GLU 19 -10.024 -4.463 -1.785
139 2HB GLU 19 2HB GLU 19 -10.087 -3.823 -3.415
140 1HG GLU 19 1HG GLU 19 -9.880 -6.771 -3.371
141 2HG GLU 19 2HG GLU 19 -11.301 -6.189 -2.526
142 H ALA 20 H ALA 20 -7.934 -2.342 -3.165
143 HA ALA 20 HA ALA 20 -7.807 -2.057 -5.913
144 1HB ALA 20 1HB ALA 20 -6.326 -0.316 -3.920
145 2HB ALA 20 2HB ALA 20 -7.110 0.164 -5.444
146 3HB ALA 20 3HB ALA 20 -8.102 -0.309 -4.043
147 H LEU 21 H LEU 21 -5.243 -2.742 -3.479
148 HA LEU 21 HA LEU 21 -3.070 -2.421 -5.185
149 1HB LEU 21 1HB LEU 21 -3.631 -3.625 -2.564
150 2HB LEU 21 2HB LEU 21 -2.286 -4.358 -3.415
151 HG LEU 21 HG LEU 21 -2.507 -1.375 -2.962
152 1HD1 LEU 21 1HD1 LEU 21 -1.268 -1.522 -0.986
153 2HD1 LEU 21 2HD1 LEU 21 -2.489 -2.808 -0.832
154 3HD1 LEU 21 3HD1 LEU 21 -0.816 -3.218 -1.281
155 1HD2 LEU 21 1HD2 LEU 21 -0.142 -3.135 -3.666
156 2HD2 LEU 21 2HD2 LEU 21 -1.020 -2.062 -4.782
157 3HD2 LEU 21 3HD2 LEU 21 -0.109 -1.373 -3.417
158 H ALA 22 H ALA 22 -4.802 -5.473 -4.224
159 HA ALA 22 HA ALA 22 -3.430 -7.144 -5.937
160 1HB ALA 22 1HB ALA 22 -4.999 -7.755 -4.053
161 2HB ALA 22 2HB ALA 22 -6.356 -7.357 -5.133
162 3HB ALA 22 3HB ALA 22 -5.248 -8.686 -5.549
163 H GLN 23 H GLN 23 -6.438 -5.204 -6.479
164 HA GLN 23 HA GLN 23 -6.965 -6.155 -8.999
165 1HB GLN 23 1HB GLN 23 -7.548 -3.513 -7.624
166 2HB GLN 23 2HB GLN 23 -8.082 -3.807 -9.267
167 1HG GLN 23 1HG GLN 23 -8.830 -6.150 -7.885
168 2HG GLN 23 2HG GLN 23 -9.159 -4.865 -6.740
169 1HE2 GLN 23 1HE2 GLN 23 -11.112 -6.459 -7.938
170 2HE2 GLN 23 2HE2 GLN 23 -12.128 -5.484 -8.946
171 H ALA 24 H ALA 24 -4.827 -3.468 -7.899
172 HA ALA 24 HA ALA 24 -4.191 -2.648 -10.551
173 1HB ALA 24 1HB ALA 24 -3.869 -0.909 -9.090
174 2HB ALA 24 2HB ALA 24 -3.393 -1.979 -7.750
175 3HB ALA 24 3HB ALA 24 -2.225 -1.587 -9.035
176 H ARG 25 H ARG 25 -3.407 -5.387 -8.681
177 HA ARG 25 HA ARG 25 -1.959 -6.976 -8.876
178 1HB ARG 25 1HB ARG 25 -1.953 -5.789 -11.629
179 2HB ARG 25 2HB ARG 25 -0.604 -6.848 -11.268
180 1HG ARG 25 1HG ARG 25 -3.069 -8.048 -10.280
181 2HG ARG 25 2HG ARG 25 -3.272 -7.600 -11.962
182 1HD ARG 25 1HD ARG 25 -0.834 -8.724 -12.195
183 2HD ARG 25 2HD ARG 25 -1.332 -9.565 -10.741
184 HE ARG 25 HE ARG 25 -3.388 -9.598 -12.821
185 1HH1 ARG 25 2HH2 ARG 25 -0.484 -11.193 -11.635
186 2HH1 ARG 25 1HH2 ARG 25 -0.857 -12.711 -12.383
187 1HH2 ARG 25 2HH1 ARG 25 -3.881 -11.600 -13.807
188 2HH2 ARG 25 1HH1 ARG 25 -2.803 -12.943 -13.627
189 H ALA 26 H ALA 26 -1.076 -4.643 -7.497
190 HA ALA 26 HA ALA 26 1.350 -3.603 -8.316
191 1HB ALA 26 1HB ALA 26 1.538 -2.821 -6.072
192 2HB ALA 26 2HB ALA 26 -0.208 -2.890 -6.408
193 3HB ALA 26 3HB ALA 26 0.563 -4.169 -5.439
194 H GLY 27 H GLY 27 0.702 -6.402 -6.084
195 1HA GLY 27 1HA GLY 27 2.038 -8.413 -6.628
196 2HA GLY 27 2HA GLY 27 3.433 -7.356 -6.711
197 H ALA 28 H ALA 28 4.650 -8.139 -4.982
198 HA ALA 28 HA ALA 28 3.328 -8.478 -2.421
199 1HB ALA 28 1HB ALA 28 6.279 -8.804 -2.751
200 2HB ALA 28 2HB ALA 28 5.104 -9.830 -1.895
201 3HB ALA 28 3HB ALA 28 5.240 -9.921 -3.667
202 H PHE 29 H PHE 29 4.133 -7.397 -0.467
203 HA PHE 29 HA PHE 29 5.891 -5.170 -0.781
204 1HB PHE 29 1HB PHE 29 4.073 -3.529 -0.070
205 2HB PHE 29 2HB PHE 29 3.782 -4.203 -1.662
206 HD1 PHE 29 HD1 PHE 29 2.789 -4.437 1.892
207 HD2 PHE 29 HD2 PHE 29 1.836 -5.475 -2.110
208 HE1 PHE 29 HE1 PHE 29 0.517 -5.203 2.633
209 HE2 PHE 29 HE2 PHE 29 -0.437 -6.241 -1.370
210 HZ PHE 29 HZ PHE 29 -1.070 -6.096 0.993
211 H PHE 30 H PHE 30 5.357 -3.706 1.477
212 HA PHE 30 HA PHE 30 5.469 -5.764 3.568
213 1HB PHE 30 1HB PHE 30 6.806 -3.057 3.070
214 2HB PHE 30 2HB PHE 30 6.729 -3.695 4.700
215 HD1 PHE 30 HD1 PHE 30 8.755 -4.548 5.363
216 HD2 PHE 30 HD2 PHE 30 7.500 -5.201 1.362
217 HE1 PHE 30 HE1 PHE 30 10.827 -5.898 4.933
218 HE2 PHE 30 HE2 PHE 30 9.572 -6.550 0.932
219 HZ PHE 30 HZ PHE 30 11.211 -6.883 2.722
220 H SER 31 H SER 31 4.540 -5.226 5.671
221 HA SER 31 HA SER 31 2.496 -3.160 5.409
222 1HB SER 31 1HB SER 31 1.237 -5.124 5.530
223 2HB SER 31 2HB SER 31 2.410 -5.948 6.538
224 HG SER 31 HG SER 31 0.517 -5.386 7.758
225 H VAL 32 H VAL 32 2.113 -1.804 7.262
226 HA VAL 32 HA VAL 32 3.918 -2.219 9.522
227 HB VAL 32 HB VAL 32 3.635 0.343 7.938
228 1HG1 VAL 32 1HG1 VAL 32 4.674 1.502 9.591
229 2HG1 VAL 32 2HG1 VAL 32 3.952 0.242 10.620
230 3HG1 VAL 32 3HG1 VAL 32 5.651 0.107 10.109
231 1HG2 VAL 32 1HG2 VAL 32 5.726 -1.794 8.071
232 2HG2 VAL 32 2HG2 VAL 32 5.172 -0.816 6.691
233 3HG2 VAL 32 3HG2 VAL 32 6.258 -0.103 7.908
234 H PHE 33 H PHE 33 2.933 -1.855 11.472
235 HA PHE 33 HA PHE 33 0.151 -1.031 11.328
236 1HB PHE 33 1HB PHE 33 1.895 -2.048 13.650
237 2HB PHE 33 2HB PHE 33 0.144 -1.993 13.640
238 HD1 PHE 33 HD1 PHE 33 2.964 -4.021 13.074
239 HD2 PHE 33 HD2 PHE 33 -1.017 -3.392 11.746
240 HE1 PHE 33 HE1 PHE 33 2.896 -6.361 12.170
241 HE2 PHE 33 HE2 PHE 33 -1.085 -5.732 10.842
242 HZ PHE 33 HZ PHE 33 0.872 -7.189 11.065
243 H ILE 34 H ILE 34 -0.612 0.904 12.087
244 HA ILE 34 HA ILE 34 1.364 2.785 13.039
245 HB ILE 34 HB ILE 34 -0.268 4.444 12.643
246 1HG1 ILE 34 1HG1 ILE 34 -2.506 2.737 11.811
247 2HG1 ILE 34 2HG1 ILE 34 -2.125 2.589 13.515
248 1HG2 ILE 34 1HG2 ILE 34 0.774 3.663 10.634
249 2HG2 ILE 34 2HG2 ILE 34 -0.363 2.300 10.508
250 3HG2 ILE 34 3HG2 ILE 34 -0.945 3.967 10.286
251 1HD1 ILE 34 1HD1 ILE 34 -3.779 4.469 12.791
252 2HD1 ILE 34 2HD1 ILE 34 -2.485 4.899 13.935
253 3HD1 ILE 34 3HD1 ILE 34 -2.329 5.325 12.214
254 H ASP 35 H ASP 35 -0.966 0.549 14.317
255 HA ASP 35 HA ASP 35 -1.838 1.851 16.541
256 1HB ASP 35 1HB ASP 35 -2.699 -0.337 15.950
257 2HB ASP 35 2HB ASP 35 -1.109 -1.066 16.055
258 H ASP 36 H ASP 36 -0.970 2.112 18.695
259 HA ASP 36 HA ASP 36 0.488 1.987 20.339
260 1HB ASP 36 1HB ASP 36 1.278 -0.242 19.098
261 2HB ASP 36 2HB ASP 36 2.646 0.743 18.617
262 H ASP 37 H ASP 37 2.101 2.352 17.089
263 HA ASP 37 HA ASP 37 3.948 4.235 17.979
264 1HB ASP 37 1HB ASP 37 2.984 3.147 15.376
265 2HB ASP 37 2HB ASP 37 3.658 4.762 15.276
266 H ALA 38 H ALA 38 2.924 6.020 19.049
267 HA ALA 38 HA ALA 38 0.579 7.242 18.154
268 1HB ALA 38 1HB ALA 38 1.335 7.487 20.431
269 2HB ALA 38 2HB ALA 38 2.879 8.196 19.899
270 3HB ALA 38 3HB ALA 38 1.362 9.101 19.681
271 H ALA 39 H ALA 39 4.026 7.676 17.322
272 HA ALA 39 HA ALA 39 3.815 10.150 16.067
273 1HB ALA 39 1HB ALA 39 5.690 8.228 14.848
274 2HB ALA 39 2HB ALA 39 6.010 9.782 15.655
275 3HB ALA 39 3HB ALA 39 5.797 8.304 16.623
276 H LEU 40 H LEU 40 3.428 6.779 14.797
277 HA LEU 40 HA LEU 40 2.873 7.664 12.165
278 1HB LEU 40 1HB LEU 40 2.288 5.019 13.503
279 2HB LEU 40 2HB LEU 40 2.243 5.335 11.780
280 HG LEU 40 HG LEU 40 4.713 5.526 13.527
281 1HD1 LEU 40 1HD1 LEU 40 5.109 3.506 11.673
282 2HD1 LEU 40 2HD1 LEU 40 4.735 3.302 13.402
283 3HD1 LEU 40 3HD1 LEU 40 3.424 3.271 12.198
284 1HD2 LEU 40 1HD2 LEU 40 5.255 5.288 10.715
285 2HD2 LEU 40 2HD2 LEU 40 4.183 6.679 11.005
286 3HD2 LEU 40 3HD2 LEU 40 5.741 6.563 11.859
287 H GLU 41 H GLU 41 0.957 7.062 15.108
288 HA GLU 41 HA GLU 41 -1.514 6.980 13.819
289 1HB GLU 41 1HB GLU 41 -0.669 7.617 16.668
290 2HB GLU 41 2HB GLU 41 -2.354 7.624 16.188
291 1HG GLU 41 1HG GLU 41 -0.988 5.209 15.221
292 2HG GLU 41 2HG GLU 41 -0.826 5.374 16.958
293 H SER 42 H SER 42 0.366 9.652 15.379
294 HA SER 42 HA SER 42 -1.634 11.560 14.868
295 1HB SER 42 1HB SER 42 0.766 11.429 16.340
296 2HB SER 42 2HB SER 42 1.080 12.652 15.125
297 HG SER 42 HG SER 42 -1.435 12.797 16.437
298 H ALA 43 H ALA 43 1.125 10.225 13.078
299 HA ALA 43 HA ALA 43 1.303 12.348 11.196
300 1HB ALA 43 1HB ALA 43 2.628 10.548 9.931
301 2HB ALA 43 2HB ALA 43 3.236 11.001 11.542
302 3HB ALA 43 3HB ALA 43 2.318 9.491 11.328
303 H TYR 44 H TYR 44 -0.487 9.248 11.453
304 HA TYR 44 HA TYR 44 -1.816 9.940 8.919
305 1HB TYR 44 1HB TYR 44 -1.200 7.338 10.440
306 2HB TYR 44 2HB TYR 44 -2.334 7.364 9.104
307 HD1 TYR 44 HD1 TYR 44 -0.931 9.233 7.228
308 HD2 TYR 44 HD2 TYR 44 0.576 6.031 9.631
309 HE1 TYR 44 HE1 TYR 44 0.991 8.905 5.597
310 HE2 TYR 44 HE2 TYR 44 2.493 5.713 7.992
311 HH TYR 44 HH TYR 44 3.636 7.647 6.162
312 H GLY 45 H GLY 45 -2.575 7.787 11.740
313 1HA GLY 45 1HA GLY 45 -4.374 7.686 13.085
314 2HA GLY 45 2HA GLY 45 -4.635 9.393 12.785
315 H LEU 46 H LEU 46 -5.678 9.982 10.603
316 HA LEU 46 HA LEU 46 -7.885 8.140 10.199
317 1HB LEU 46 1HB LEU 46 -7.475 10.995 10.106
318 2HB LEU 46 2HB LEU 46 -8.191 10.436 8.607
319 HG LEU 46 HG LEU 46 -9.891 11.143 10.208
320 1HD1 LEU 46 1HD1 LEU 46 -11.382 9.504 9.689
321 2HD1 LEU 46 2HD1 LEU 46 -10.053 9.026 8.605
322 3HD1 LEU 46 3HD1 LEU 46 -10.280 8.188 10.159
323 1HD2 LEU 46 1HD2 LEU 46 -8.258 9.766 12.090
324 2HD2 LEU 46 2HD2 LEU 46 -9.711 10.753 12.381
325 3HD2 LEU 46 3HD2 LEU 46 -9.867 9.003 12.092
326 H ARG 47 H ARG 47 -4.978 9.408 8.597
327 HA ARG 47 HA ARG 47 -5.801 8.236 6.111
328 1HB ARG 47 1HB ARG 47 -3.143 9.559 6.853
329 2HB ARG 47 2HB ARG 47 -3.690 9.195 5.228
330 1HG ARG 47 1HG ARG 47 -4.816 11.159 5.129
331 2HG ARG 47 2HG ARG 47 -5.767 10.718 6.534
332 1HD ARG 47 1HD ARG 47 -4.366 11.858 8.024
333 2HD ARG 47 2HD ARG 47 -2.943 11.646 7.025
334 HE ARG 47 HE ARG 47 -3.458 13.636 5.908
335 1HH1 ARG 47 2HH2 ARG 47 -6.324 12.495 7.601
336 2HH1 ARG 47 1HH2 ARG 47 -7.249 13.919 7.260
337 1HH2 ARG 47 2HH1 ARG 47 -4.678 15.516 5.458
338 2HH2 ARG 47 1HH1 ARG 47 -6.306 15.649 6.033
339 H VAL 48 H VAL 48 -5.531 6.388 8.322
340 HA VAL 48 HA VAL 48 -3.088 5.176 8.597
341 HB VAL 48 HB VAL 48 -5.922 4.477 8.955
342 1HG1 VAL 48 1HG1 VAL 48 -5.617 2.464 7.875
343 2HG1 VAL 48 2HG1 VAL 48 -3.880 2.392 8.260
344 3HG1 VAL 48 3HG1 VAL 48 -5.086 2.034 9.519
345 1HG2 VAL 48 1HG2 VAL 48 -4.413 3.342 10.989
346 2HG2 VAL 48 2HG2 VAL 48 -3.466 4.774 10.517
347 3HG2 VAL 48 3HG2 VAL 48 -5.166 4.955 11.010
348 HA PRO 49 HA PRO 49 -4.116 2.689 4.703
349 1HB PRO 49 1HB PRO 49 -6.176 3.475 3.088
350 2HB PRO 49 2HB PRO 49 -6.336 2.224 4.305
351 1HG PRO 49 1HG PRO 49 -7.323 5.010 4.370
352 2HG PRO 49 2HG PRO 49 -7.821 3.646 5.351
353 1HD PRO 49 1HD PRO 49 -6.114 5.806 6.156
354 2HD PRO 49 2HD PRO 49 -6.519 4.383 7.096
355 H VAL 50 H VAL 50 -2.089 3.982 4.609
356 HA VAL 50 HA VAL 50 -2.302 5.775 2.289
357 HB VAL 50 HB VAL 50 -0.709 5.890 4.821
358 1HG1 VAL 50 1HG1 VAL 50 0.238 6.667 2.109
359 2HG1 VAL 50 2HG1 VAL 50 0.502 7.845 3.417
360 3HG1 VAL 50 3HG1 VAL 50 1.158 6.196 3.558
361 1HG2 VAL 50 1HG2 VAL 50 -1.778 8.264 3.341
362 2HG2 VAL 50 2HG2 VAL 50 -2.931 7.178 4.154
363 3HG2 VAL 50 3HG2 VAL 50 -1.643 7.971 5.092
364 H LEU 51 H LEU 51 -1.267 5.125 0.468
365 HA LEU 51 HA LEU 51 0.395 2.749 0.692
366 1HB LEU 51 1HB LEU 51 -1.557 3.005 -0.915
367 2HB LEU 51 2HB LEU 51 -0.557 4.132 -1.811
368 HG LEU 51 HG LEU 51 0.622 2.502 -2.790
369 1HD1 LEU 51 1HD1 LEU 51 1.928 2.061 -0.788
370 2HD1 LEU 51 2HD1 LEU 51 0.657 0.979 -0.169
371 3HD1 LEU 51 3HD1 LEU 51 1.561 0.542 -1.639
372 1HD2 LEU 51 1HD2 LEU 51 -1.100 0.315 -1.759
373 2HD2 LEU 51 2HD2 LEU 51 -1.926 1.686 -2.537
374 3HD2 LEU 51 3HD2 LEU 51 -0.686 0.771 -3.429
375 H ARG 52 H ARG 52 2.540 2.991 0.983
376 HA ARG 52 HA ARG 52 3.703 5.415 -0.127
377 1HB ARG 52 1HB ARG 52 3.850 5.049 2.396
378 2HB ARG 52 2HB ARG 52 4.829 3.628 2.087
379 1HG ARG 52 1HG ARG 52 6.411 5.162 0.744
380 2HG ARG 52 2HG ARG 52 5.506 6.518 1.388
381 1HD ARG 52 1HD ARG 52 6.546 6.371 3.412
382 2HD ARG 52 2HD ARG 52 6.231 4.651 3.532
383 HE ARG 52 HE ARG 52 8.366 5.353 1.631
384 1HH1 ARG 52 2HH2 ARG 52 7.587 4.498 4.955
385 2HH1 ARG 52 1HH2 ARG 52 9.188 3.947 5.322
386 1HH2 ARG 52 2HH1 ARG 52 10.477 4.626 2.116
387 2HH2 ARG 52 1HH1 ARG 52 10.842 4.020 3.696
388 H ASP 53 H ASP 53 5.845 5.221 -1.177
389 HA ASP 53 HA ASP 53 6.226 2.525 -2.210
390 1HB ASP 53 1HB ASP 53 6.218 5.197 -3.418
391 2HB ASP 53 2HB ASP 53 7.727 4.374 -3.760
392 HA PRO 54 HA PRO 54 10.333 2.653 -0.667
393 1HB PRO 54 1HB PRO 54 11.876 1.529 -2.623
394 2HB PRO 54 2HB PRO 54 10.881 0.589 -1.529
395 1HG PRO 54 1HG PRO 54 10.408 1.232 -4.376
396 2HG PRO 54 2HG PRO 54 9.676 -0.024 -3.398
397 1HD PRO 54 1HD PRO 54 8.475 2.461 -4.178
398 2HD PRO 54 2HD PRO 54 7.789 1.257 -3.106
399 H MET 55 H MET 55 9.770 4.299 -3.612
400 HA MET 55 HA MET 55 12.299 5.514 -3.727
401 1HB MET 55 1HB MET 55 9.578 5.871 -4.993
402 2HB MET 55 2HB MET 55 10.678 7.231 -5.110
403 1HG MET 55 1HG MET 55 12.438 5.441 -5.927
404 2HG MET 55 2HG MET 55 11.041 4.420 -6.204
405 1HE MET 55 1HE MET 55 12.568 7.971 -6.884
406 2HE MET 55 2HE MET 55 13.392 6.688 -7.803
407 3HE MET 55 3HE MET 55 12.464 7.942 -8.660
408 H GLY 56 H GLY 56 9.085 6.507 -2.397
409 1HA GLY 56 1HA GLY 56 9.400 7.736 -0.226
410 2HA GLY 56 2HA GLY 56 10.416 8.831 -1.143
411 H ARG 57 H ARG 57 7.257 7.201 -1.916
412 HA ARG 57 HA ARG 57 6.126 9.865 -2.134
413 1HB ARG 57 1HB ARG 57 5.457 7.642 -4.111
414 2HB ARG 57 2HB ARG 57 5.056 9.342 -4.243
415 1HG ARG 57 1HG ARG 57 7.783 9.526 -4.057
416 2HG ARG 57 2HG ARG 57 7.645 7.951 -4.813
417 1HD ARG 57 1HD ARG 57 7.205 8.926 -6.814
418 2HD ARG 57 2HD ARG 57 5.783 9.702 -6.145
419 HE ARG 57 HE ARG 57 7.965 11.223 -5.227
420 1HH1 ARG 57 2HH2 ARG 57 6.600 10.326 -8.344
421 2HH1 ARG 57 1HH2 ARG 57 7.146 11.764 -9.140
422 1HH2 ARG 57 2HH1 ARG 57 8.686 13.120 -6.277
423 2HH2 ARG 57 1HH1 ARG 57 8.340 13.364 -7.957
424 H GLU 58 H GLU 58 3.714 9.884 -1.905
425 HA GLU 58 HA GLU 58 2.734 7.421 -0.695
426 1HB GLU 58 1HB GLU 58 2.236 10.254 0.323
427 2HB GLU 58 2HB GLU 58 1.505 8.803 0.981
428 1HG GLU 58 1HG GLU 58 3.822 7.910 1.475
429 2HG GLU 58 2HG GLU 58 4.495 9.426 0.911
430 H LEU 59 H LEU 59 0.364 7.131 -0.837
431 HA LEU 59 HA LEU 59 -0.825 8.823 -2.922
432 1HB LEU 59 1HB LEU 59 -0.040 6.590 -3.743
433 2HB LEU 59 2HB LEU 59 -1.183 5.838 -2.648
434 HG LEU 59 HG LEU 59 -3.049 6.954 -3.818
435 1HD1 LEU 59 1HD1 LEU 59 -2.171 8.946 -4.674
436 2HD1 LEU 59 2HD1 LEU 59 -0.822 8.115 -5.486
437 3HD1 LEU 59 3HD1 LEU 59 -2.479 7.946 -6.114
438 1HD2 LEU 59 1HD2 LEU 59 -2.028 5.750 -6.184
439 2HD2 LEU 59 2HD2 LEU 59 -1.399 4.838 -4.791
440 3HD2 LEU 59 3HD2 LEU 59 -3.153 5.072 -4.983
441 H ASP 60 H ASP 60 -3.053 9.293 -2.689
442 HA ASP 60 HA ASP 60 -3.899 9.584 -0.104
443 1HB ASP 60 1HB ASP 60 -4.764 10.388 -2.608
444 2HB ASP 60 2HB ASP 60 -6.041 9.276 -2.157
445 H TRP 61 H TRP 61 -5.710 8.483 1.061
446 HA TRP 61 HA TRP 61 -5.544 5.701 0.965
447 1HB TRP 61 1HB TRP 61 -6.255 6.216 3.007
448 2HB TRP 61 2HB TRP 61 -6.953 7.739 2.494
449 HD1 TRP 61 HD1 TRP 61 -9.437 7.675 3.306
450 HE1 TRP 61 HE1 TRP 61 -11.502 6.034 3.220
451 HE3 TRP 61 HE3 TRP 61 -6.933 3.795 1.176
452 HZ2 TRP 61 HZ2 TRP 61 -11.848 3.357 2.292
453 HZ3 TRP 61 HZ3 TRP 61 -8.209 1.704 0.714
454 HH2 TRP 61 HH2 TRP 61 -10.583 1.448 1.236
455 HA PRO 62 HA PRO 62 -9.636 6.017 -1.412
456 1HB PRO 62 1HB PRO 62 -10.551 8.447 -2.267
457 2HB PRO 62 2HB PRO 62 -11.084 7.692 -0.778
458 1HG PRO 62 1HG PRO 62 -9.221 9.958 -1.143
459 2HG PRO 62 2HG PRO 62 -10.086 9.470 0.301
460 1HD PRO 62 1HD PRO 62 -7.309 9.032 -0.267
461 2HD PRO 62 2HD PRO 62 -8.200 8.443 1.122
462 H PHE 63 H PHE 63 -8.937 4.881 -3.117
463 HA PHE 63 HA PHE 63 -8.188 6.515 -5.391
464 1HB PHE 63 1HB PHE 63 -6.272 4.616 -5.608
465 2HB PHE 63 2HB PHE 63 -5.975 6.072 -4.678
466 HD1 PHE 63 HD1 PHE 63 -8.075 3.174 -3.685
467 HD2 PHE 63 HD2 PHE 63 -4.463 5.312 -3.060
468 HE1 PHE 63 HE1 PHE 63 -7.602 1.781 -1.652
469 HE2 PHE 63 HE2 PHE 63 -3.989 3.918 -1.027
470 HZ PHE 63 HZ PHE 63 -5.565 2.169 -0.347
471 H ASP 64 H ASP 64 -7.512 4.655 -7.240
472 HA ASP 64 HA ASP 64 -9.688 2.721 -7.065
473 1HB ASP 64 1HB ASP 64 -8.666 4.002 -9.635
474 2HB ASP 64 2HB ASP 64 -10.104 3.019 -9.444
475 H ALA 65 H ALA 65 -9.139 1.209 -9.359
476 HA ALA 65 HA ALA 65 -6.731 -0.131 -8.586
477 1HB ALA 65 1HB ALA 65 -8.061 -0.924 -11.102
478 2HB ALA 65 2HB ALA 65 -7.687 -1.888 -9.654
479 3HB ALA 65 3HB ALA 65 -9.147 -0.871 -9.693
480 HA PRO 66 HA PRO 66 -5.440 1.574 -12.810
481 1HB PRO 66 1HB PRO 66 -6.970 3.473 -14.044
482 2HB PRO 66 2HB PRO 66 -7.080 1.764 -14.415
483 1HG PRO 66 1HG PRO 66 -8.943 3.445 -12.853
484 2HG PRO 66 2HG PRO 66 -9.230 1.879 -13.586
485 1HD PRO 66 1HD PRO 66 -8.770 2.414 -10.806
486 2HD PRO 66 2HD PRO 66 -8.940 0.840 -11.556
487 H ARG 67 H ARG 67 -6.807 3.598 -10.422
488 HA ARG 67 HA ARG 67 -5.093 5.766 -11.105
489 1HB ARG 67 1HB ARG 67 -7.482 5.573 -9.740
490 2HB ARG 67 2HB ARG 67 -6.364 5.686 -8.396
491 1HG ARG 67 1HG ARG 67 -5.685 7.848 -8.947
492 2HG ARG 67 2HG ARG 67 -5.951 7.616 -10.664
493 1HD ARG 67 1HD ARG 67 -8.505 7.353 -9.338
494 2HD ARG 67 2HD ARG 67 -7.733 8.803 -8.726
495 HE ARG 67 HE ARG 67 -7.527 8.587 -11.629
496 1HH1 ARG 67 2HH2 ARG 67 -9.622 9.597 -8.988
497 2HH1 ARG 67 1HH2 ARG 67 -10.518 10.718 -9.958
498 1HH2 ARG 67 2HH1 ARG 67 -8.708 10.066 -12.909
499 2HH2 ARG 67 1HH1 ARG 67 -9.995 10.986 -12.203
500 H LEU 68 H LEU 68 -5.172 2.995 -8.862
501 HA LEU 68 HA LEU 68 -2.983 3.972 -7.285
502 1HB LEU 68 1HB LEU 68 -4.873 2.557 -6.446
503 2HB LEU 68 2HB LEU 68 -4.216 1.218 -7.366
504 HG LEU 68 HG LEU 68 -2.056 2.172 -5.842
505 1HD1 LEU 68 1HD1 LEU 68 -3.930 1.606 -3.697
506 2HD1 LEU 68 2HD1 LEU 68 -2.749 2.927 -3.869
507 3HD1 LEU 68 3HD1 LEU 68 -4.371 3.084 -4.586
508 1HD2 LEU 68 1HD2 LEU 68 -2.582 -0.165 -6.498
509 2HD2 LEU 68 2HD2 LEU 68 -2.148 0.012 -4.781
510 3HD2 LEU 68 3HD2 LEU 68 -3.852 -0.195 -5.252
511 H ARG 69 H ARG 69 -3.522 1.703 -10.014
512 HA ARG 69 HA ARG 69 -0.941 0.661 -9.948
513 1HB ARG 69 1HB ARG 69 -3.071 -0.217 -11.175
514 2HB ARG 69 2HB ARG 69 -2.670 0.918 -12.449
515 1HG ARG 69 1HG ARG 69 -0.397 -0.785 -11.531
516 2HG ARG 69 2HG ARG 69 -1.704 -1.660 -12.303
517 1HD ARG 69 1HD ARG 69 -1.107 0.777 -13.806
518 2HD ARG 69 2HD ARG 69 0.354 -0.165 -13.582
519 HE ARG 69 HE ARG 69 -1.773 -1.930 -14.353
520 1HH1 ARG 69 2HH2 ARG 69 0.274 0.602 -15.688
521 2HH1 ARG 69 1HH2 ARG 69 0.182 -0.001 -17.309
522 1HH2 ARG 69 2HH1 ARG 69 -1.895 -2.726 -16.492
523 2HH2 ARG 69 1HH1 ARG 69 -1.060 -1.907 -17.769
524 H ALA 70 H ALA 70 -2.512 3.306 -11.870
525 HA ALA 70 HA ALA 70 -0.368 3.935 -13.492
526 1HB ALA 70 1HB ALA 70 -1.548 6.324 -13.235
527 2HB ALA 70 2HB ALA 70 -2.323 4.986 -14.117
528 3HB ALA 70 3HB ALA 70 -2.799 5.339 -12.438
529 H TRP 71 H TRP 71 -1.013 4.663 -10.064
530 HA TRP 71 HA TRP 71 1.018 6.652 -9.874
531 1HB TRP 71 1HB TRP 71 -0.883 6.674 -8.386
532 2HB TRP 71 2HB TRP 71 -0.497 5.071 -7.792
533 HD1 TRP 71 HD1 TRP 71 0.931 8.683 -7.642
534 HE1 TRP 71 HE1 TRP 71 2.429 9.011 -5.494
535 HE3 TRP 71 HE3 TRP 71 0.763 3.827 -6.142
536 HZ2 TRP 71 HZ2 TRP 71 3.354 7.242 -3.455
537 HZ3 TRP 71 HZ3 TRP 71 1.991 3.211 -4.062
538 HH2 TRP 71 HH2 TRP 71 3.255 4.827 -2.734
539 H LEU 72 H LEU 72 0.701 3.108 -9.318
540 HA LEU 72 HA LEU 72 3.227 2.780 -8.135
541 1HB LEU 72 1HB LEU 72 1.405 0.870 -9.601
542 2HB LEU 72 2HB LEU 72 2.874 0.382 -8.779
543 HG LEU 72 HG LEU 72 0.811 1.913 -7.236
544 1HD1 LEU 72 1HD1 LEU 72 -0.789 0.385 -7.380
545 2HD1 LEU 72 2HD1 LEU 72 0.152 -0.445 -8.643
546 3HD1 LEU 72 3HD1 LEU 72 0.351 -0.908 -6.935
547 1HD2 LEU 72 1HD2 LEU 72 1.749 0.916 -5.363
548 2HD2 LEU 72 2HD2 LEU 72 2.426 -0.442 -6.293
549 3HD2 LEU 72 3HD2 LEU 72 3.157 1.176 -6.421
550 H ASP 73 H ASP 73 2.059 2.343 -11.543
551 HA ASP 73 HA ASP 73 4.459 1.573 -12.587
552 1HB ASP 73 1HB ASP 73 2.036 1.841 -13.629
553 2HB ASP 73 2HB ASP 73 2.595 3.437 -14.089
554 H ALA 74 H ALA 74 3.090 4.824 -11.866
555 HA ALA 74 HA ALA 74 4.808 6.441 -13.250
556 1HB ALA 74 1HB ALA 74 3.073 6.617 -10.863
557 2HB ALA 74 2HB ALA 74 4.401 7.802 -10.889
558 3HB ALA 74 3HB ALA 74 3.243 7.734 -12.239
559 H ALA 75 H ALA 75 5.451 4.310 -10.536
560 HA ALA 75 HA ALA 75 8.165 5.434 -10.403
561 1HB ALA 75 1HB ALA 75 7.388 3.996 -8.005
562 2HB ALA 75 2HB ALA 75 7.952 5.676 -8.179
563 3HB ALA 75 3HB ALA 75 6.222 5.296 -8.350
564 HA PRO 76 HA PRO 76 9.551 1.396 -11.111
565 1HB PRO 76 1HB PRO 76 11.720 1.086 -9.478
566 2HB PRO 76 2HB PRO 76 11.772 1.988 -10.979
567 1HG PRO 76 1HG PRO 76 11.726 3.008 -8.205
568 2HG PRO 76 2HG PRO 76 12.199 3.840 -9.673
569 1HD PRO 76 1HD PRO 76 9.730 4.147 -8.246
570 2HD PRO 76 2HD PRO 76 10.156 4.891 -9.775
571 H HIS 77 H HIS 77 10.125 -0.852 -10.268
572 HA HIS 77 HA HIS 77 8.782 -1.252 -7.717
573 1HB HIS 77 1HB HIS 77 7.666 -3.303 -8.841
574 2HB HIS 77 2HB HIS 77 6.946 -1.716 -9.029
575 HD1 HIS 77 HD1 HIS 77 7.450 -0.474 -11.395
576 HD2 HIS 77 HD2 HIS 77 8.340 -4.569 -11.203
577 HE1 HIS 77 HE1 HIS 77 7.666 -1.272 -13.808
578 H ALA 78 H ALA 78 9.004 -3.836 -7.240
579 HA ALA 78 HA ALA 78 11.293 -5.082 -8.323
580 1HB ALA 78 1HB ALA 78 12.924 -4.699 -6.710
581 2HB ALA 78 2HB ALA 78 12.148 -3.099 -6.799
582 3HB ALA 78 3HB ALA 78 11.738 -4.215 -5.473
Start of MODEL 6
1 1H MET 1 1H MET 1 11.250 -4.110 -5.284
2 HA MET 1 HA MET 1 11.703 -1.638 -4.007
3 1HB MET 1 1HB MET 1 10.421 -1.684 -6.794
4 2HB MET 1 2HB MET 1 10.282 -0.318 -5.705
5 1HG MET 1 1HG MET 1 12.983 -1.460 -6.552
6 2HG MET 1 2HG MET 1 12.174 -0.197 -7.459
7 1HE MET 1 1HE MET 1 15.274 0.651 -5.126
8 2HE MET 1 2HE MET 1 14.538 -0.455 -3.941
9 3HE MET 1 3HE MET 1 14.693 -0.950 -5.644
10 H ALA 2 H ALA 2 10.532 -2.877 -2.379
11 HA ALA 2 HA ALA 2 7.852 -3.723 -3.003
12 1HB ALA 2 1HB ALA 2 8.496 -5.156 -1.385
13 2HB ALA 2 2HB ALA 2 9.855 -4.113 -0.903
14 3HB ALA 2 3HB ALA 2 8.232 -3.824 -0.234
15 H LEU 3 H LEU 3 6.084 -3.020 -1.298
16 HA LEU 3 HA LEU 3 6.293 -0.100 -1.045
17 1HB LEU 3 1HB LEU 3 3.892 -1.826 -1.659
18 2HB LEU 3 2HB LEU 3 3.810 -0.117 -1.279
19 HG LEU 3 HG LEU 3 5.635 -0.875 -3.500
20 1HD1 LEU 3 1HD1 LEU 3 3.516 -2.320 -3.698
21 2HD1 LEU 3 2HD1 LEU 3 2.675 -0.793 -4.058
22 3HD1 LEU 3 3HD1 LEU 3 4.006 -1.345 -5.104
23 1HD2 LEU 3 1HD2 LEU 3 3.818 1.398 -2.778
24 2HD2 LEU 3 2HD2 LEU 3 5.542 1.407 -3.219
25 3HD2 LEU 3 3HD2 LEU 3 4.304 1.161 -4.473
26 H THR 4 H THR 4 4.341 0.560 0.646
27 HA THR 4 HA THR 4 4.312 -1.279 2.888
28 HB THR 4 HB THR 4 5.683 1.460 2.958
29 HG1 THR 4 HG1 THR 4 7.489 0.107 3.170
30 1HG2 THR 4 1HG2 THR 4 4.426 -0.157 5.081
31 2HG2 THR 4 2HG2 THR 4 6.177 0.032 5.339
32 3HG2 THR 4 3HG2 THR 4 5.139 1.470 5.185
33 H LEU 5 H LEU 5 2.170 -1.436 3.175
34 HA LEU 5 HA LEU 5 0.652 1.071 3.064
35 1HB LEU 5 1HB LEU 5 -0.230 -0.362 1.470
36 2HB LEU 5 2HB LEU 5 -0.018 -1.786 2.468
37 HG LEU 5 HG LEU 5 -1.801 -0.428 3.992
38 1HD1 LEU 5 1HD1 LEU 5 -3.559 0.445 2.420
39 2HD1 LEU 5 2HD1 LEU 5 -2.096 1.449 2.560
40 3HD1 LEU 5 3HD1 LEU 5 -2.329 0.410 1.134
41 1HD2 LEU 5 1HD2 LEU 5 -2.573 -2.502 3.679
42 2HD2 LEU 5 2HD2 LEU 5 -3.480 -1.812 2.312
43 3HD2 LEU 5 3HD2 LEU 5 -1.910 -2.604 2.030
44 H TYR 6 H TYR 6 0.028 1.954 4.956
45 HA TYR 6 HA TYR 6 0.446 0.456 7.377
46 1HB TYR 6 1HB TYR 6 -0.542 3.241 6.534
47 2HB TYR 6 2HB TYR 6 -0.532 2.772 8.223
48 HD1 TYR 6 HD1 TYR 6 1.451 3.955 5.437
49 HD2 TYR 6 HD2 TYR 6 1.672 2.212 9.338
50 HE1 TYR 6 HE1 TYR 6 3.882 4.677 5.630
51 HE2 TYR 6 HE2 TYR 6 4.101 2.940 9.518
52 HH TYR 6 HH TYR 6 5.601 4.431 8.633
53 H GLN 7 H GLN 7 -1.106 -0.323 8.805
54 HA GLN 7 HA GLN 7 -3.868 0.139 8.034
55 1HB GLN 7 1HB GLN 7 -4.428 -2.221 8.273
56 2HB GLN 7 2HB GLN 7 -3.142 -2.062 7.094
57 1HG GLN 7 1HG GLN 7 -1.461 -2.593 8.899
58 2HG GLN 7 2HG GLN 7 -2.779 -2.823 10.031
59 1HE2 GLN 7 1HE2 GLN 7 -4.561 -4.317 9.199
60 2HE2 GLN 7 2HE2 GLN 7 -4.058 -5.806 8.471
61 H ARG 8 H ARG 8 -5.410 -0.605 9.875
62 HA ARG 8 HA ARG 8 -4.034 -0.181 12.406
63 1HB ARG 8 1HB ARG 8 -5.965 1.496 11.194
64 2HB ARG 8 2HB ARG 8 -6.871 0.619 12.411
65 1HG ARG 8 1HG ARG 8 -4.287 2.173 12.909
66 2HG ARG 8 2HG ARG 8 -5.898 2.722 13.329
67 1HD ARG 8 1HD ARG 8 -5.904 0.272 14.567
68 2HD ARG 8 2HD ARG 8 -4.194 0.646 14.655
69 HE ARG 8 HE ARG 8 -4.678 2.274 16.254
70 1HH1 ARG 8 2HH2 ARG 8 -7.595 1.620 14.397
71 2HH1 ARG 8 1HH2 ARG 8 -8.598 2.641 15.373
72 1HH2 ARG 8 2HH1 ARG 8 -6.002 3.621 17.541
73 2HH2 ARG 8 1HH1 ARG 8 -7.686 3.787 17.173
74 H ASP 9 H ASP 9 -4.591 -2.750 11.158
75 HA ASP 9 HA ASP 9 -5.221 -4.711 11.904
76 1HB ASP 9 1HB ASP 9 -5.537 -3.309 14.211
77 2HB ASP 9 2HB ASP 9 -7.221 -3.680 13.899
78 H ASP 10 H ASP 10 -7.947 -2.312 12.284
79 HA ASP 10 HA ASP 10 -10.058 -3.764 11.693
80 1HB ASP 10 1HB ASP 10 -9.574 -1.097 11.831
81 2HB ASP 10 2HB ASP 10 -9.794 -1.226 10.097
82 H CYS 11 H CYS 11 -10.587 -5.174 10.016
83 HA CYS 11 HA CYS 11 -9.063 -4.946 7.557
84 1HB CYS 11 1HB CYS 11 -9.921 -7.197 7.058
85 2HB CYS 11 2HB CYS 11 -9.099 -7.141 8.605
86 HG CYS 11 HG CYS 11 -10.869 -8.020 9.896
87 H HIS 12 H HIS 12 -10.341 -2.863 7.110
88 HA HIS 12 HA HIS 12 -12.622 -3.574 5.504
89 1HB HIS 12 1HB HIS 12 -12.841 -2.061 8.055
90 2HB HIS 12 2HB HIS 12 -13.727 -1.412 6.689
91 HD1 HIS 12 HD1 HIS 12 -14.576 -3.211 9.449
92 HD2 HIS 12 HD2 HIS 12 -14.948 -4.133 5.374
93 HE1 HIS 12 HE1 HIS 12 -16.413 -4.973 9.280
94 H LEU 13 H LEU 13 -11.474 -0.440 6.915
95 HA LEU 13 HA LEU 13 -11.504 0.888 4.487
96 1HB LEU 13 1HB LEU 13 -11.377 1.702 6.957
97 2HB LEU 13 2HB LEU 13 -9.643 1.626 6.720
98 HG LEU 13 HG LEU 13 -9.809 3.209 4.845
99 1HD1 LEU 13 1HD1 LEU 13 -12.062 4.452 4.648
100 2HD1 LEU 13 2HD1 LEU 13 -11.887 2.869 3.854
101 3HD1 LEU 13 3HD1 LEU 13 -12.760 2.997 5.399
102 1HD2 LEU 13 1HD2 LEU 13 -10.854 5.153 6.322
103 2HD2 LEU 13 2HD2 LEU 13 -10.763 3.901 7.585
104 3HD2 LEU 13 3HD2 LEU 13 -9.291 4.399 6.717
105 H CYS 14 H CYS 14 -8.832 -0.843 6.193
106 HA CYS 14 HA CYS 14 -6.962 -0.194 4.152
107 1HB CYS 14 1HB CYS 14 -6.056 -0.528 6.315
108 2HB CYS 14 2HB CYS 14 -6.902 -2.046 6.540
109 HG CYS 14 HG CYS 14 -5.082 -1.782 3.862
110 H ASP 15 H ASP 15 -9.204 -2.869 4.970
111 HA ASP 15 HA ASP 15 -8.223 -4.845 3.412
112 1HB ASP 15 1HB ASP 15 -10.226 -4.971 4.931
113 2HB ASP 15 2HB ASP 15 -11.157 -4.064 3.756
114 H GLN 16 H GLN 16 -10.665 -2.284 2.524
115 HA GLN 16 HA GLN 16 -10.928 -3.036 -0.111
116 1HB GLN 16 1HB GLN 16 -11.509 -0.587 1.506
117 2HB GLN 16 2HB GLN 16 -11.456 -0.364 -0.231
118 1HG GLN 16 1HG GLN 16 -12.956 -2.638 -0.139
119 2HG GLN 16 2HG GLN 16 -13.381 -1.966 1.423
120 1HE2 GLN 16 1HE2 GLN 16 -14.866 -0.447 1.542
121 2HE2 GLN 16 2HE2 GLN 16 -15.537 0.452 0.222
122 H ALA 17 H ALA 17 -8.349 -1.339 1.562
123 HA ALA 17 HA ALA 17 -7.296 -0.026 -0.731
124 1HB ALA 17 1HB ALA 17 -6.771 -0.249 2.118
125 2HB ALA 17 2HB ALA 17 -5.261 -0.405 1.190
126 3HB ALA 17 3HB ALA 17 -6.290 1.032 0.979
127 H VAL 18 H VAL 18 -6.576 -3.090 1.057
128 HA VAL 18 HA VAL 18 -4.394 -3.829 -0.514
129 HB VAL 18 HB VAL 18 -6.397 -5.434 1.081
130 1HG1 VAL 18 1HG1 VAL 18 -3.669 -6.393 0.185
131 2HG1 VAL 18 2HG1 VAL 18 -4.978 -7.328 0.945
132 3HG1 VAL 18 3HG1 VAL 18 -5.158 -6.740 -0.725
133 1HG2 VAL 18 1HG2 VAL 18 -5.306 -4.144 2.650
134 2HG2 VAL 18 2HG2 VAL 18 -4.223 -5.554 2.573
135 3HG2 VAL 18 3HG2 VAL 18 -3.802 -4.061 1.701
136 H GLU 19 H GLU 19 -7.926 -4.151 -0.958
137 HA GLU 19 HA GLU 19 -7.855 -6.035 -2.970
138 1HB GLU 19 1HB GLU 19 -9.805 -4.547 -1.635
139 2HB GLU 19 2HB GLU 19 -9.954 -3.982 -3.287
140 1HG GLU 19 1HG GLU 19 -9.639 -6.923 -3.089
141 2HG GLU 19 2HG GLU 19 -11.068 -6.329 -2.268
142 H ALA 20 H ALA 20 -7.853 -2.409 -3.141
143 HA ALA 20 HA ALA 20 -7.831 -2.194 -5.898
144 1HB ALA 20 1HB ALA 20 -6.295 -0.313 -4.103
145 2HB ALA 20 2HB ALA 20 -7.321 0.057 -5.509
146 3HB ALA 20 3HB ALA 20 -8.066 -0.434 -3.969
147 H LEU 21 H LEU 21 -5.160 -2.717 -3.540
148 HA LEU 21 HA LEU 21 -3.063 -2.364 -5.335
149 1HB LEU 21 1HB LEU 21 -3.483 -3.450 -2.651
150 2HB LEU 21 2HB LEU 21 -2.177 -4.235 -3.516
151 HG LEU 21 HG LEU 21 -2.345 -1.228 -3.305
152 1HD1 LEU 21 1HD1 LEU 21 -0.697 -1.474 -1.398
153 2HD1 LEU 21 2HD1 LEU 21 -2.390 -1.885 -1.033
154 3HD1 LEU 21 3HD1 LEU 21 -1.197 -3.179 -1.302
155 1HD2 LEU 21 1HD2 LEU 21 -0.400 -3.201 -4.328
156 2HD2 LEU 21 2HD2 LEU 21 -0.687 -1.509 -4.798
157 3HD2 LEU 21 3HD2 LEU 21 0.289 -1.879 -3.356
158 H ALA 22 H ALA 22 -4.636 -5.446 -4.212
159 HA ALA 22 HA ALA 22 -3.262 -7.116 -5.927
160 1HB ALA 22 1HB ALA 22 -5.225 -7.330 -3.976
161 2HB ALA 22 2HB ALA 22 -6.067 -7.866 -5.450
162 3HB ALA 22 3HB ALA 22 -4.567 -8.675 -4.938
163 H GLN 23 H GLN 23 -6.379 -5.334 -6.399
164 HA GLN 23 HA GLN 23 -6.949 -6.388 -8.872
165 1HB GLN 23 1HB GLN 23 -7.656 -3.803 -7.469
166 2HB GLN 23 2HB GLN 23 -8.155 -4.041 -9.132
167 1HG GLN 23 1HG GLN 23 -8.802 -6.477 -7.832
168 2HG GLN 23 2HG GLN 23 -9.247 -5.229 -6.685
169 1HE2 GLN 23 1HE2 GLN 23 -11.328 -6.424 -7.379
170 2HE2 GLN 23 2HE2 GLN 23 -12.266 -5.665 -8.622
171 H ALA 24 H ALA 24 -4.875 -3.611 -7.907
172 HA ALA 24 HA ALA 24 -4.392 -2.839 -10.623
173 1HB ALA 24 1HB ALA 24 -4.352 -1.127 -8.952
174 2HB ALA 24 2HB ALA 24 -3.235 -2.057 -7.925
175 3HB ALA 24 3HB ALA 24 -2.663 -1.362 -9.461
176 H ARG 25 H ARG 25 -3.526 -5.535 -8.868
177 HA ARG 25 HA ARG 25 -1.920 -6.986 -8.937
178 1HB ARG 25 1HB ARG 25 -2.192 -5.986 -11.717
179 2HB ARG 25 2HB ARG 25 -0.643 -6.749 -11.420
180 1HG ARG 25 1HG ARG 25 -2.647 -8.394 -10.175
181 2HG ARG 25 2HG ARG 25 -3.229 -8.001 -11.781
182 1HD ARG 25 1HD ARG 25 -0.546 -8.583 -12.267
183 2HD ARG 25 2HD ARG 25 -0.931 -9.700 -10.973
184 HE ARG 25 HE ARG 25 -3.085 -9.898 -12.758
185 1HH1 ARG 25 2HH2 ARG 25 0.397 -10.379 -12.925
186 2HH1 ARG 25 1HH2 ARG 25 0.300 -11.579 -14.171
187 1HH2 ARG 25 2HH1 ARG 25 -3.214 -11.480 -14.402
188 2HH2 ARG 25 1HH1 ARG 25 -1.768 -12.209 -15.017
189 H ALA 26 H ALA 26 -1.150 -4.539 -7.690
190 HA ALA 26 HA ALA 26 1.136 -3.331 -8.592
191 1HB ALA 26 1HB ALA 26 -0.453 -3.073 -6.436
192 2HB ALA 26 2HB ALA 26 0.903 -3.935 -5.671
193 3HB ALA 26 3HB ALA 26 1.187 -2.384 -6.498
194 H GLY 27 H GLY 27 1.076 -5.961 -6.078
195 1HA GLY 27 1HA GLY 27 2.610 -7.869 -7.046
196 2HA GLY 27 2HA GLY 27 3.828 -6.634 -6.800
197 H ALA 28 H ALA 28 4.975 -7.349 -5.025
198 HA ALA 28 HA ALA 28 3.422 -8.222 -2.702
199 1HB ALA 28 1HB ALA 28 6.408 -8.446 -3.244
200 2HB ALA 28 2HB ALA 28 5.478 -9.269 -1.968
201 3HB ALA 28 3HB ALA 28 5.219 -9.698 -3.676
202 H PHE 29 H PHE 29 3.995 -7.371 -0.563
203 HA PHE 29 HA PHE 29 5.683 -5.078 -0.418
204 1HB PHE 29 1HB PHE 29 3.687 -3.621 0.343
205 2HB PHE 29 2HB PHE 29 3.705 -3.987 -1.371
206 HD1 PHE 29 HD1 PHE 29 1.872 -5.039 -2.378
207 HD2 PHE 29 HD2 PHE 29 2.217 -5.081 1.851
208 HE1 PHE 29 HE1 PHE 29 -0.443 -5.991 -2.199
209 HE2 PHE 29 HE2 PHE 29 -0.099 -6.033 2.030
210 HZ PHE 29 HZ PHE 29 -1.401 -6.477 0.003
211 H PHE 30 H PHE 30 5.141 -3.953 1.914
212 HA PHE 30 HA PHE 30 4.850 -6.225 3.751
213 1HB PHE 30 1HB PHE 30 6.420 -3.580 3.868
214 2HB PHE 30 2HB PHE 30 6.327 -4.695 5.218
215 HD1 PHE 30 HD1 PHE 30 6.883 -7.262 4.361
216 HD2 PHE 30 HD2 PHE 30 8.400 -3.658 2.714
217 HE1 PHE 30 HE1 PHE 30 8.871 -8.507 3.469
218 HE2 PHE 30 HE2 PHE 30 10.389 -4.903 1.822
219 HZ PHE 30 HZ PHE 30 10.601 -7.313 2.210
220 H SER 31 H SER 31 3.672 -5.912 5.714
221 HA SER 31 HA SER 31 1.868 -3.641 5.527
222 1HB SER 31 1HB SER 31 1.622 -6.453 6.523
223 2HB SER 31 2HB SER 31 0.725 -5.242 7.417
224 HG SER 31 HG SER 31 0.586 -5.382 4.540
225 H VAL 32 H VAL 32 1.728 -2.129 7.210
226 HA VAL 32 HA VAL 32 3.384 -2.692 9.569
227 HB VAL 32 HB VAL 32 3.193 -0.142 7.958
228 1HG1 VAL 32 1HG1 VAL 32 3.706 1.001 9.801
229 2HG1 VAL 32 2HG1 VAL 32 3.700 -0.498 10.761
230 3HG1 VAL 32 3HG1 VAL 32 5.197 0.042 9.965
231 1HG2 VAL 32 1HG2 VAL 32 5.843 -1.249 8.567
232 2HG2 VAL 32 2HG2 VAL 32 4.835 -2.330 7.575
233 3HG2 VAL 32 3HG2 VAL 32 5.167 -0.669 7.026
234 H PHE 33 H PHE 33 2.462 -2.178 11.542
235 HA PHE 33 HA PHE 33 -0.306 -1.249 11.369
236 1HB PHE 33 1HB PHE 33 1.233 -2.497 13.715
237 2HB PHE 33 2HB PHE 33 -0.509 -2.416 13.536
238 HD1 PHE 33 HD1 PHE 33 2.546 -4.049 12.265
239 HD2 PHE 33 HD2 PHE 33 -1.697 -4.076 12.314
240 HE1 PHE 33 HE1 PHE 33 2.549 -6.329 11.214
241 HE2 PHE 33 HE2 PHE 33 -1.695 -6.355 11.263
242 HZ PHE 33 HZ PHE 33 0.428 -7.455 10.726
243 H ILE 34 H ILE 34 -0.707 0.844 11.887
244 HA ILE 34 HA ILE 34 1.309 2.435 13.094
245 HB ILE 34 HB ILE 34 -0.217 4.235 12.826
246 1HG1 ILE 34 1HG1 ILE 34 -2.516 2.653 11.854
247 2HG1 ILE 34 2HG1 ILE 34 -2.197 2.500 13.571
248 1HG2 ILE 34 1HG2 ILE 34 -0.796 4.035 10.439
249 2HG2 ILE 34 2HG2 ILE 34 0.850 3.454 10.792
250 3HG2 ILE 34 3HG2 ILE 34 -0.466 2.287 10.518
251 1HD1 ILE 34 1HD1 ILE 34 -2.358 5.195 12.155
252 2HD1 ILE 34 2HD1 ILE 34 -3.753 4.413 12.936
253 3HD1 ILE 34 3HD1 ILE 34 -2.342 4.895 13.909
254 H ASP 35 H ASP 35 -0.846 0.146 14.344
255 HA ASP 35 HA ASP 35 -1.508 1.559 16.713
256 1HB ASP 35 1HB ASP 35 -2.785 -0.406 15.597
257 2HB ASP 35 2HB ASP 35 -1.561 -1.458 16.279
258 H ASP 36 H ASP 36 0.979 2.092 16.977
259 HA ASP 36 HA ASP 36 1.951 0.569 19.071
260 1HB ASP 36 1HB ASP 36 2.545 -1.049 17.272
261 2HB ASP 36 2HB ASP 36 3.414 0.208 16.414
262 H ASP 37 H ASP 37 2.661 2.663 16.218
263 HA ASP 37 HA ASP 37 4.501 4.178 17.883
264 1HB ASP 37 1HB ASP 37 4.255 3.619 14.960
265 2HB ASP 37 2HB ASP 37 4.705 5.266 15.353
266 H ALA 38 H ALA 38 3.416 5.890 18.881
267 HA ALA 38 HA ALA 38 0.940 6.854 18.058
268 1HB ALA 38 1HB ALA 38 1.463 8.708 19.662
269 2HB ALA 38 2HB ALA 38 1.764 7.088 20.335
270 3HB ALA 38 3HB ALA 38 3.128 8.088 19.778
271 H ALA 39 H ALA 39 4.271 7.682 17.119
272 HA ALA 39 HA ALA 39 3.795 10.185 16.017
273 1HB ALA 39 1HB ALA 39 5.727 8.648 14.493
274 2HB ALA 39 2HB ALA 39 6.001 9.989 15.631
275 3HB ALA 39 3HB ALA 39 5.910 8.316 16.232
276 H LEU 40 H LEU 40 3.454 6.862 14.642
277 HA LEU 40 HA LEU 40 2.714 7.838 12.076
278 1HB LEU 40 1HB LEU 40 2.405 5.108 13.335
279 2HB LEU 40 2HB LEU 40 2.155 5.481 11.641
280 HG LEU 40 HG LEU 40 4.802 6.035 12.974
281 1HD1 LEU 40 1HD1 LEU 40 4.913 3.595 11.489
282 2HD1 LEU 40 2HD1 LEU 40 5.286 3.886 13.206
283 3HD1 LEU 40 3HD1 LEU 40 3.628 3.463 12.714
284 1HD2 LEU 40 1HD2 LEU 40 5.695 6.010 10.778
285 2HD2 LEU 40 2HD2 LEU 40 4.198 5.332 10.096
286 3HD2 LEU 40 3HD2 LEU 40 4.218 7.001 10.715
287 H GLU 41 H GLU 41 1.042 7.040 15.111
288 HA GLU 41 HA GLU 41 -1.506 6.858 13.977
289 1HB GLU 41 1HB GLU 41 -0.479 7.375 16.786
290 2HB GLU 41 2HB GLU 41 -2.197 7.385 16.441
291 1HG GLU 41 1HG GLU 41 -0.846 5.049 15.251
292 2HG GLU 41 2HG GLU 41 -0.625 5.119 16.988
293 H SER 42 H SER 42 0.326 9.557 15.549
294 HA SER 42 HA SER 42 -1.806 11.369 15.233
295 1HB SER 42 1HB SER 42 0.664 11.304 16.595
296 2HB SER 42 2HB SER 42 0.849 12.605 15.436
297 HG SER 42 HG SER 42 -0.292 12.873 17.736
298 H ALA 43 H ALA 43 0.920 10.265 13.255
299 HA ALA 43 HA ALA 43 0.902 12.492 11.482
300 1HB ALA 43 1HB ALA 43 2.879 11.054 11.865
301 2HB ALA 43 2HB ALA 43 2.002 9.668 11.173
302 3HB ALA 43 3HB ALA 43 2.407 11.066 10.148
303 H TYR 44 H TYR 44 -0.550 9.186 11.530
304 HA TYR 44 HA TYR 44 -2.041 9.919 9.109
305 1HB TYR 44 1HB TYR 44 -1.333 7.311 10.586
306 2HB TYR 44 2HB TYR 44 -2.436 7.333 9.224
307 HD1 TYR 44 HD1 TYR 44 -1.270 8.961 7.206
308 HD2 TYR 44 HD2 TYR 44 0.719 6.414 10.008
309 HE1 TYR 44 HE1 TYR 44 0.699 8.736 5.614
310 HE2 TYR 44 HE2 TYR 44 2.682 6.197 8.407
311 HH TYR 44 HH TYR 44 3.595 7.860 6.444
312 H GLY 45 H GLY 45 -2.621 7.758 11.973
313 1HA GLY 45 1HA GLY 45 -4.378 7.591 13.366
314 2HA GLY 45 2HA GLY 45 -4.770 9.260 13.006
315 H LEU 46 H LEU 46 -5.847 9.661 10.773
316 HA LEU 46 HA LEU 46 -7.891 7.602 10.462
317 1HB LEU 46 1HB LEU 46 -7.865 10.460 10.503
318 2HB LEU 46 2HB LEU 46 -8.440 9.934 8.933
319 HG LEU 46 HG LEU 46 -10.273 10.311 10.516
320 1HD1 LEU 46 1HD1 LEU 46 -11.526 8.650 9.659
321 2HD1 LEU 46 2HD1 LEU 46 -10.046 8.276 8.742
322 3HD1 LEU 46 3HD1 LEU 46 -10.424 7.373 10.228
323 1HD2 LEU 46 1HD2 LEU 46 -9.818 9.852 12.662
324 2HD2 LEU 46 2HD2 LEU 46 -10.351 8.204 12.251
325 3HD2 LEU 46 3HD2 LEU 46 -8.617 8.605 12.249
326 H ARG 47 H ARG 47 -5.086 9.040 8.915
327 HA ARG 47 HA ARG 47 -5.873 7.994 6.360
328 1HB ARG 47 1HB ARG 47 -3.314 9.417 7.254
329 2HB ARG 47 2HB ARG 47 -3.688 8.997 5.594
330 1HG ARG 47 1HG ARG 47 -4.941 10.871 5.353
331 2HG ARG 47 2HG ARG 47 -5.960 10.406 6.701
332 1HD ARG 47 1HD ARG 47 -5.014 11.990 8.026
333 2HD ARG 47 2HD ARG 47 -3.418 11.320 7.754
334 HE ARG 47 HE ARG 47 -4.613 13.611 6.367
335 1HH1 ARG 47 2HH2 ARG 47 -2.143 11.110 6.212
336 2HH1 ARG 47 1HH2 ARG 47 -1.144 11.986 5.101
337 1HH2 ARG 47 2HH1 ARG 47 -3.296 14.768 4.901
338 2HH2 ARG 47 1HH1 ARG 47 -1.804 14.081 4.350
339 H VAL 48 H VAL 48 -5.590 6.023 8.441
340 HA VAL 48 HA VAL 48 -3.083 4.867 8.618
341 HB VAL 48 HB VAL 48 -5.909 3.989 8.962
342 1HG1 VAL 48 1HG1 VAL 48 -3.671 2.170 8.319
343 2HG1 VAL 48 2HG1 VAL 48 -4.574 1.754 9.796
344 3HG1 VAL 48 3HG1 VAL 48 -5.430 1.904 8.243
345 1HG2 VAL 48 1HG2 VAL 48 -3.446 4.256 10.688
346 2HG2 VAL 48 2HG2 VAL 48 -5.027 5.058 10.852
347 3HG2 VAL 48 3HG2 VAL 48 -4.864 3.327 11.231
348 HA PRO 49 HA PRO 49 -4.303 2.512 4.691
349 1HB PRO 49 1HB PRO 49 -6.360 3.444 3.152
350 2HB PRO 49 2HB PRO 49 -6.549 2.157 4.326
351 1HG PRO 49 1HG PRO 49 -7.412 4.978 4.514
352 2HG PRO 49 2HG PRO 49 -7.948 3.601 5.456
353 1HD PRO 49 1HD PRO 49 -6.132 5.656 6.299
354 2HD PRO 49 2HD PRO 49 -6.578 4.218 7.197
355 H VAL 50 H VAL 50 -2.256 3.905 4.740
356 HA VAL 50 HA VAL 50 -2.414 5.623 2.359
357 HB VAL 50 HB VAL 50 -0.909 5.870 4.945
358 1HG1 VAL 50 1HG1 VAL 50 0.950 6.400 3.790
359 2HG1 VAL 50 2HG1 VAL 50 0.065 6.579 2.256
360 3HG1 VAL 50 3HG1 VAL 50 0.099 7.921 3.425
361 1HG2 VAL 50 1HG2 VAL 50 -1.947 7.932 5.151
362 2HG2 VAL 50 2HG2 VAL 50 -2.194 8.105 3.397
363 3HG2 VAL 50 3HG2 VAL 50 -3.205 6.976 4.330
364 H LEU 51 H LEU 51 -1.278 4.933 0.618
365 HA LEU 51 HA LEU 51 0.479 2.651 1.022
366 1HB LEU 51 1HB LEU 51 -1.398 3.423 -0.939
367 2HB LEU 51 2HB LEU 51 0.172 3.475 -1.716
368 HG LEU 51 HG LEU 51 -0.772 1.071 -0.146
369 1HD1 LEU 51 1HD1 LEU 51 -2.409 0.987 -1.721
370 2HD1 LEU 51 2HD1 LEU 51 -1.479 1.935 -2.907
371 3HD1 LEU 51 3HD1 LEU 51 -1.100 0.215 -2.648
372 1HD2 LEU 51 1HD2 LEU 51 1.382 0.537 -0.439
373 2HD2 LEU 51 2HD2 LEU 51 0.907 0.188 -2.118
374 3HD2 LEU 51 3HD2 LEU 51 1.621 1.765 -1.704
375 H ARG 52 H ARG 52 2.628 2.917 1.250
376 HA ARG 52 HA ARG 52 3.700 5.433 0.268
377 1HB ARG 52 1HB ARG 52 3.919 4.853 2.750
378 2HB ARG 52 2HB ARG 52 4.947 3.509 2.294
379 1HG ARG 52 1HG ARG 52 6.748 4.864 1.965
380 2HG ARG 52 2HG ARG 52 5.822 5.993 0.995
381 1HD ARG 52 1HD ARG 52 5.292 7.348 2.811
382 2HD ARG 52 2HD ARG 52 5.247 6.010 3.941
383 HE ARG 52 HE ARG 52 7.908 6.087 3.306
384 1HH1 ARG 52 2HH2 ARG 52 5.654 8.615 4.261
385 2HH1 ARG 52 1HH2 ARG 52 6.870 9.591 5.015
386 1HH2 ARG 52 2HH1 ARG 52 9.512 7.374 4.301
387 2HH2 ARG 52 1HH1 ARG 52 9.079 8.881 5.038
388 H ASP 53 H ASP 53 5.807 5.394 -0.858
389 HA ASP 53 HA ASP 53 6.348 2.760 -1.987
390 1HB ASP 53 1HB ASP 53 7.386 4.347 -3.881
391 2HB ASP 53 2HB ASP 53 5.688 3.913 -3.884
392 HA PRO 54 HA PRO 54 10.499 3.454 -0.752
393 1HB PRO 54 1HB PRO 54 11.980 2.231 -2.695
394 2HB PRO 54 2HB PRO 54 11.175 1.354 -1.410
395 1HG PRO 54 1HG PRO 54 10.411 1.586 -4.256
396 2HG PRO 54 2HG PRO 54 9.888 0.405 -3.073
397 1HD PRO 54 1HD PRO 54 8.390 2.656 -4.028
398 2HD PRO 54 2HD PRO 54 7.915 1.542 -2.761
399 H MET 55 H MET 55 9.470 4.734 -3.724
400 HA MET 55 HA MET 55 11.842 6.072 -4.350
401 1HB MET 55 1HB MET 55 8.892 6.473 -5.050
402 2HB MET 55 2HB MET 55 10.122 7.542 -5.694
403 1HG MET 55 1HG MET 55 11.048 5.895 -7.064
404 2HG MET 55 2HG MET 55 10.634 4.592 -5.968
405 1HE MET 55 1HE MET 55 8.613 2.815 -7.112
406 2HE MET 55 2HE MET 55 8.707 3.290 -8.824
407 3HE MET 55 3HE MET 55 10.176 3.290 -7.819
408 H GLY 56 H GLY 56 8.956 6.914 -2.378
409 1HA GLY 56 1HA GLY 56 9.488 8.341 -0.449
410 2HA GLY 56 2HA GLY 56 10.353 9.390 -1.555
411 H ARG 57 H ARG 57 7.177 7.690 -1.977
412 HA ARG 57 HA ARG 57 5.921 10.298 -1.949
413 1HB ARG 57 1HB ARG 57 5.423 8.204 -4.125
414 2HB ARG 57 2HB ARG 57 4.646 9.771 -4.013
415 1HG ARG 57 1HG ARG 57 7.460 10.271 -3.902
416 2HG ARG 57 2HG ARG 57 7.225 9.095 -5.179
417 1HD ARG 57 1HD ARG 57 6.030 10.566 -6.513
418 2HD ARG 57 2HD ARG 57 5.260 11.352 -5.149
419 HE ARG 57 HE ARG 57 8.157 11.850 -5.375
420 1HH1 ARG 57 2HH2 ARG 57 4.921 12.969 -6.188
421 2HH1 ARG 57 1HH2 ARG 57 5.418 14.604 -6.466
422 1HH2 ARG 57 2HH1 ARG 57 8.813 14.008 -5.741
423 2HH2 ARG 57 1HH1 ARG 57 7.646 15.200 -6.211
424 H GLU 58 H GLU 58 3.360 9.930 -2.079
425 HA GLU 58 HA GLU 58 2.662 7.400 -0.863
426 1HB GLU 58 1HB GLU 58 2.186 10.129 0.396
427 2HB GLU 58 2HB GLU 58 1.242 8.722 0.843
428 1HG GLU 58 1HG GLU 58 3.728 7.639 1.064
429 2HG GLU 58 2HG GLU 58 4.138 9.315 1.373
430 H LEU 59 H LEU 59 0.481 6.759 -1.263
431 HA LEU 59 HA LEU 59 -0.862 8.472 -3.227
432 1HB LEU 59 1HB LEU 59 -0.063 5.856 -3.420
433 2HB LEU 59 2HB LEU 59 -1.741 5.685 -2.946
434 HG LEU 59 HG LEU 59 -0.640 7.064 -5.400
435 1HD1 LEU 59 1HD1 LEU 59 -2.785 4.984 -5.437
436 2HD1 LEU 59 2HD1 LEU 59 -1.517 5.349 -6.631
437 3HD1 LEU 59 3HD1 LEU 59 -1.106 4.477 -5.135
438 1HD2 LEU 59 1HD2 LEU 59 -3.367 7.287 -4.148
439 2HD2 LEU 59 2HD2 LEU 59 -2.321 8.559 -4.822
440 3HD2 LEU 59 3HD2 LEU 59 -3.151 7.421 -5.910
441 H ASP 60 H ASP 60 -3.110 8.907 -3.022
442 HA ASP 60 HA ASP 60 -3.926 9.311 -0.416
443 1HB ASP 60 1HB ASP 60 -4.730 10.204 -2.862
444 2HB ASP 60 2HB ASP 60 -6.001 9.033 -2.571
445 H TRP 61 H TRP 61 -5.673 8.235 0.809
446 HA TRP 61 HA TRP 61 -5.612 5.472 0.746
447 1HB TRP 61 1HB TRP 61 -6.377 6.025 2.755
448 2HB TRP 61 2HB TRP 61 -7.001 7.567 2.203
449 HD1 TRP 61 HD1 TRP 61 -9.508 7.612 2.939
450 HE1 TRP 61 HE1 TRP 61 -11.632 6.050 2.820
451 HE3 TRP 61 HE3 TRP 61 -7.097 3.603 0.946
452 HZ2 TRP 61 HZ2 TRP 61 -12.055 3.373 1.925
453 HZ3 TRP 61 HZ3 TRP 61 -8.439 1.555 0.480
454 HH2 TRP 61 HH2 TRP 61 -10.835 1.400 0.937
455 HA PRO 62 HA PRO 62 -9.645 5.776 -1.726
456 1HB PRO 62 1HB PRO 62 -10.541 8.197 -2.624
457 2HB PRO 62 2HB PRO 62 -11.103 7.458 -1.138
458 1HG PRO 62 1HG PRO 62 -9.232 9.719 -1.492
459 2HG PRO 62 2HG PRO 62 -10.124 9.247 -0.060
460 1HD PRO 62 1HD PRO 62 -7.337 8.800 -0.570
461 2HD PRO 62 2HD PRO 62 -8.255 8.228 0.808
462 H PHE 63 H PHE 63 -9.030 4.648 -3.457
463 HA PHE 63 HA PHE 63 -8.226 6.239 -5.724
464 1HB PHE 63 1HB PHE 63 -6.261 4.386 -5.886
465 2HB PHE 63 2HB PHE 63 -6.010 5.865 -4.980
466 HD1 PHE 63 HD1 PHE 63 -8.095 2.999 -3.901
467 HD2 PHE 63 HD2 PHE 63 -4.449 5.107 -3.387
468 HE1 PHE 63 HE1 PHE 63 -7.608 1.654 -1.839
469 HE2 PHE 63 HE2 PHE 63 -3.962 3.762 -1.324
470 HZ PHE 63 HZ PHE 63 -5.547 2.051 -0.575
471 H ASP 64 H ASP 64 -7.394 4.258 -7.459
472 HA ASP 64 HA ASP 64 -9.529 2.287 -7.276
473 1HB ASP 64 1HB ASP 64 -8.606 3.591 -9.872
474 2HB ASP 64 2HB ASP 64 -9.987 2.533 -9.655
475 H ALA 65 H ALA 65 -8.939 0.772 -9.555
476 HA ALA 65 HA ALA 65 -6.460 -0.441 -8.801
477 1HB ALA 65 1HB ALA 65 -7.580 -1.454 -11.266
478 2HB ALA 65 2HB ALA 65 -7.502 -2.232 -9.667
479 3HB ALA 65 3HB ALA 65 -8.883 -1.189 -10.083
480 HA PRO 66 HA PRO 66 -5.292 1.282 -13.054
481 1HB PRO 66 1HB PRO 66 -6.926 3.086 -14.295
482 2HB PRO 66 2HB PRO 66 -6.953 1.370 -14.646
483 1HG PRO 66 1HG PRO 66 -8.886 2.973 -13.086
484 2HG PRO 66 2HG PRO 66 -9.098 1.386 -13.799
485 1HD PRO 66 1HD PRO 66 -8.643 1.976 -11.029
486 2HD PRO 66 2HD PRO 66 -8.740 0.386 -11.760
487 H ARG 67 H ARG 67 -6.799 3.314 -10.734
488 HA ARG 67 HA ARG 67 -5.199 5.544 -11.440
489 1HB ARG 67 1HB ARG 67 -7.548 5.259 -10.060
490 2HB ARG 67 2HB ARG 67 -6.438 5.373 -8.709
491 1HG ARG 67 1HG ARG 67 -6.019 7.593 -9.077
492 2HG ARG 67 2HG ARG 67 -5.883 7.380 -10.811
493 1HD ARG 67 1HD ARG 67 -8.652 6.964 -9.949
494 2HD ARG 67 2HD ARG 67 -8.067 8.520 -9.394
495 HE ARG 67 HE ARG 67 -7.252 8.225 -12.106
496 1HH1 ARG 67 2HH2 ARG 67 -10.222 8.568 -10.249
497 2HH1 ARG 67 1HH2 ARG 67 -11.091 9.331 -11.539
498 1HH2 ARG 67 2HH1 ARG 67 -8.399 9.231 -13.808
499 2HH2 ARG 67 1HH1 ARG 67 -10.047 9.710 -13.577
500 H LEU 68 H LEU 68 -5.058 2.791 -9.182
501 HA LEU 68 HA LEU 68 -2.908 3.913 -7.649
502 1HB LEU 68 1HB LEU 68 -4.681 2.383 -6.767
503 2HB LEU 68 2HB LEU 68 -3.966 1.086 -7.703
504 HG LEU 68 HG LEU 68 -1.830 2.165 -6.233
505 1HD1 LEU 68 1HD1 LEU 68 -2.748 3.216 -4.489
506 2HD1 LEU 68 2HD1 LEU 68 -4.366 2.551 -4.816
507 3HD1 LEU 68 3HD1 LEU 68 -3.177 1.591 -3.904
508 1HD2 LEU 68 1HD2 LEU 68 -3.492 -0.335 -6.075
509 2HD2 LEU 68 2HD2 LEU 68 -1.818 -0.116 -6.638
510 3HD2 LEU 68 3HD2 LEU 68 -2.190 -0.035 -4.899
511 H ARG 69 H ARG 69 -3.347 1.590 -10.353
512 HA ARG 69 HA ARG 69 -0.678 0.762 -10.333
513 1HB ARG 69 1HB ARG 69 -2.423 -0.591 -11.409
514 2HB ARG 69 2HB ARG 69 -2.825 0.713 -12.510
515 1HG ARG 69 1HG ARG 69 -1.449 -0.750 -13.796
516 2HG ARG 69 2HG ARG 69 -0.390 0.576 -13.359
517 1HD ARG 69 1HD ARG 69 0.895 -0.728 -11.940
518 2HD ARG 69 2HD ARG 69 -0.472 -1.682 -11.397
519 HE ARG 69 HE ARG 69 0.048 -2.251 -14.171
520 1HH1 ARG 69 2HH2 ARG 69 1.364 -2.837 -10.960
521 2HH1 ARG 69 1HH2 ARG 69 2.136 -4.322 -11.408
522 1HH2 ARG 69 2HH1 ARG 69 1.066 -4.209 -14.763
523 2HH2 ARG 69 1HH1 ARG 69 1.966 -5.107 -13.586
524 H ALA 70 H ALA 70 -2.551 3.164 -12.309
525 HA ALA 70 HA ALA 70 -0.520 3.934 -14.010
526 1HB ALA 70 1HB ALA 70 -2.943 5.342 -12.856
527 2HB ALA 70 2HB ALA 70 -1.874 6.131 -14.040
528 3HB ALA 70 3HB ALA 70 -2.735 4.636 -14.476
529 H TRP 71 H TRP 71 -1.129 4.708 -10.591
530 HA TRP 71 HA TRP 71 0.636 6.927 -10.503
531 1HB TRP 71 1HB TRP 71 -1.095 6.773 -8.886
532 2HB TRP 71 2HB TRP 71 -0.607 5.162 -8.399
533 HD1 TRP 71 HD1 TRP 71 0.754 8.808 -8.177
534 HE1 TRP 71 HE1 TRP 71 2.292 9.099 -6.053
535 HE3 TRP 71 HE3 TRP 71 0.643 3.921 -6.778
536 HZ2 TRP 71 HZ2 TRP 71 3.267 7.293 -4.070
537 HZ3 TRP 71 HZ3 TRP 71 1.915 3.268 -4.735
538 HH2 TRP 71 HH2 TRP 71 3.195 4.864 -3.398
539 H LEU 72 H LEU 72 0.864 3.373 -9.995
540 HA LEU 72 HA LEU 72 3.475 3.405 -8.953
541 1HB LEU 72 1HB LEU 72 1.877 1.255 -10.344
542 2HB LEU 72 2HB LEU 72 3.433 0.988 -9.586
543 HG LEU 72 HG LEU 72 1.064 2.087 -8.063
544 1HD1 LEU 72 1HD1 LEU 72 1.859 -0.819 -8.032
545 2HD1 LEU 72 2HD1 LEU 72 0.366 -0.051 -7.440
546 3HD1 LEU 72 3HD1 LEU 72 0.662 -0.190 -9.190
547 1HD2 LEU 72 1HD2 LEU 72 3.682 2.034 -7.356
548 2HD2 LEU 72 2HD2 LEU 72 2.326 1.958 -6.206
549 3HD2 LEU 72 3HD2 LEU 72 3.137 0.461 -6.726
550 H ASP 73 H ASP 73 2.169 2.869 -12.293
551 HA ASP 73 HA ASP 73 4.661 2.511 -13.441
552 1HB ASP 73 1HB ASP 73 1.981 2.512 -14.272
553 2HB ASP 73 2HB ASP 73 2.667 3.856 -15.163
554 H ALA 74 H ALA 74 2.643 5.385 -12.692
555 HA ALA 74 HA ALA 74 3.665 7.338 -14.222
556 1HB ALA 74 1HB ALA 74 3.563 8.270 -11.485
557 2HB ALA 74 2HB ALA 74 2.406 8.548 -12.809
558 3HB ALA 74 3HB ALA 74 2.244 7.110 -11.774
559 H ALA 75 H ALA 75 5.294 5.607 -11.562
560 HA ALA 75 HA ALA 75 7.316 5.891 -10.634
561 1HB ALA 75 1HB ALA 75 7.430 5.172 -13.374
562 2HB ALA 75 2HB ALA 75 8.772 6.309 -13.102
563 3HB ALA 75 3HB ALA 75 8.640 4.837 -12.112
564 HA PRO 76 HA PRO 76 7.533 10.362 -10.749
565 1HB PRO 76 1HB PRO 76 7.563 10.751 -8.044
566 2HB PRO 76 2HB PRO 76 6.091 10.749 -8.996
567 1HG PRO 76 1HG PRO 76 7.129 8.656 -7.185
568 2HG PRO 76 2HG PRO 76 5.502 8.867 -7.800
569 1HD PRO 76 1HD PRO 76 7.442 6.956 -8.700
570 2HD PRO 76 2HD PRO 76 5.858 7.245 -9.390
571 H HIS 77 H HIS 77 9.115 11.983 -9.758
572 HA HIS 77 HA HIS 77 11.666 10.836 -10.203
573 1HB HIS 77 1HB HIS 77 10.498 13.501 -9.843
574 2HB HIS 77 2HB HIS 77 12.083 13.350 -9.109
575 HD1 HIS 77 HD1 HIS 77 14.105 13.354 -10.653
576 HD2 HIS 77 HD2 HIS 77 10.471 12.965 -12.712
577 HE1 HIS 77 HE1 HIS 77 14.660 13.584 -13.133
578 H ALA 78 H ALA 78 10.327 12.603 -7.314
579 HA ALA 78 HA ALA 78 10.857 12.470 -5.164
580 1HB ALA 78 1HB ALA 78 10.898 10.127 -4.238
581 2HB ALA 78 2HB ALA 78 9.518 10.458 -5.312
582 3HB ALA 78 3HB ALA 78 10.907 9.521 -5.912
Start of MODEL 7
1 1H MET 1 1H MET 1 9.052 -2.656 -7.522
2 HA MET 1 HA MET 1 8.066 -4.588 -7.126
3 1HB MET 1 1HB MET 1 10.758 -4.682 -5.709
4 2HB MET 1 2HB MET 1 9.733 -6.103 -5.668
5 1HG MET 1 1HG MET 1 9.606 -6.023 -8.203
6 2HG MET 1 2HG MET 1 10.742 -4.689 -8.183
7 1HE MET 1 1HE MET 1 13.714 -5.606 -8.355
8 2HE MET 1 2HE MET 1 13.182 -6.895 -9.460
9 3HE MET 1 3HE MET 1 12.299 -5.351 -9.404
10 H ALA 2 H ALA 2 9.580 -3.712 -3.928
11 HA ALA 2 HA ALA 2 7.186 -4.763 -2.625
12 1HB ALA 2 1HB ALA 2 10.039 -4.220 -1.812
13 2HB ALA 2 2HB ALA 2 8.767 -4.300 -0.570
14 3HB ALA 2 3HB ALA 2 9.072 -5.702 -1.623
15 H LEU 3 H LEU 3 5.781 -3.468 -1.453
16 HA LEU 3 HA LEU 3 6.444 -0.605 -1.443
17 1HB LEU 3 1HB LEU 3 3.790 -1.945 -1.974
18 2HB LEU 3 2HB LEU 3 3.981 -0.230 -1.666
19 HG LEU 3 HG LEU 3 5.679 -1.313 -3.839
20 1HD1 LEU 3 1HD1 LEU 3 2.705 -1.018 -4.314
21 2HD1 LEU 3 2HD1 LEU 3 3.955 -1.550 -5.464
22 3HD1 LEU 3 3HD1 LEU 3 3.523 -2.582 -4.080
23 1HD2 LEU 3 1HD2 LEU 3 3.913 1.131 -3.537
24 2HD2 LEU 3 2HD2 LEU 3 5.682 1.050 -3.357
25 3HD2 LEU 3 3HD2 LEU 3 4.936 0.776 -4.949
26 H THR 4 H THR 4 4.598 0.444 0.198
27 HA THR 4 HA THR 4 4.492 -1.240 2.586
28 HB THR 4 HB THR 4 5.768 1.541 2.410
29 HG1 THR 4 HG1 THR 4 6.717 -1.119 3.206
30 1HG2 THR 4 1HG2 THR 4 5.848 -0.294 4.820
31 2HG2 THR 4 2HG2 THR 4 6.065 1.471 4.750
32 3HG2 THR 4 3HG2 THR 4 4.437 0.768 4.599
33 H LEU 5 H LEU 5 2.353 -1.415 2.897
34 HA LEU 5 HA LEU 5 0.799 1.060 2.618
35 1HB LEU 5 1HB LEU 5 -0.086 -0.403 1.078
36 2HB LEU 5 2HB LEU 5 0.200 -1.815 2.075
37 HG LEU 5 HG LEU 5 -1.613 -0.696 3.643
38 1HD1 LEU 5 1HD1 LEU 5 -1.692 1.372 2.205
39 2HD1 LEU 5 2HD1 LEU 5 -2.487 0.384 0.956
40 3HD1 LEU 5 3HD1 LEU 5 -3.265 0.609 2.542
41 1HD2 LEU 5 1HD2 LEU 5 -1.949 -2.866 2.767
42 2HD2 LEU 5 2HD2 LEU 5 -3.388 -1.921 2.313
43 3HD2 LEU 5 3HD2 LEU 5 -2.124 -2.255 1.105
44 H TYR 6 H TYR 6 0.792 2.023 4.603
45 HA TYR 6 HA TYR 6 0.949 0.577 7.011
46 1HB TYR 6 1HB TYR 6 -0.142 3.367 6.278
47 2HB TYR 6 2HB TYR 6 0.316 2.890 7.901
48 HD1 TYR 6 HD1 TYR 6 1.406 4.515 4.975
49 HD2 TYR 6 HD2 TYR 6 2.821 2.004 8.137
50 HE1 TYR 6 HE1 TYR 6 3.786 5.296 4.540
51 HE2 TYR 6 HE2 TYR 6 5.196 2.793 7.692
52 HH TYR 6 HH TYR 6 6.501 3.813 6.200
53 H GLN 7 H GLN 7 -0.620 0.016 8.554
54 HA GLN 7 HA GLN 7 -3.277 0.796 8.336
55 1HB GLN 7 1HB GLN 7 -4.345 -1.290 7.607
56 2HB GLN 7 2HB GLN 7 -3.280 -0.695 6.349
57 1HG GLN 7 1HG GLN 7 -1.879 -2.500 6.505
58 2HG GLN 7 2HG GLN 7 -1.904 -2.492 8.257
59 1HE2 GLN 7 1HE2 GLN 7 -2.675 -4.232 5.617
60 2HE2 GLN 7 2HE2 GLN 7 -3.952 -5.237 6.216
61 H ARG 8 H ARG 8 -4.590 -0.106 10.103
62 HA ARG 8 HA ARG 8 -3.029 -1.738 11.924
63 1HB ARG 8 1HB ARG 8 -3.936 -0.323 13.834
64 2HB ARG 8 2HB ARG 8 -2.798 0.519 12.801
65 1HG ARG 8 1HG ARG 8 -4.357 2.104 12.368
66 2HG ARG 8 2HG ARG 8 -5.389 0.894 11.632
67 1HD ARG 8 1HD ARG 8 -6.720 0.679 13.512
68 2HD ARG 8 2HD ARG 8 -5.378 0.880 14.620
69 HE ARG 8 HE ARG 8 -5.873 3.156 14.727
70 1HH1 ARG 8 2HH2 ARG 8 -7.196 1.861 11.734
71 2HH1 ARG 8 1HH2 ARG 8 -7.970 3.344 11.285
72 1HH2 ARG 8 2HH1 ARG 8 -6.895 5.112 14.136
73 2HH2 ARG 8 1HH1 ARG 8 -7.798 5.206 12.661
74 H ASP 9 H ASP 9 -4.249 -3.628 11.864
75 HA ASP 9 HA ASP 9 -5.908 -4.987 12.190
76 1HB ASP 9 1HB ASP 9 -6.320 -3.220 14.158
77 2HB ASP 9 2HB ASP 9 -7.741 -2.811 13.218
78 H ASP 10 H ASP 10 -6.341 -5.252 9.900
79 HA ASP 10 HA ASP 10 -7.883 -3.381 8.494
80 1HB ASP 10 1HB ASP 10 -6.469 -4.709 7.149
81 2HB ASP 10 2HB ASP 10 -6.870 -6.185 8.006
82 H CYS 11 H CYS 11 -10.114 -3.140 8.691
83 HA CYS 11 HA CYS 11 -11.604 -5.462 9.665
84 1HB CYS 11 1HB CYS 11 -13.325 -3.815 10.385
85 2HB CYS 11 2HB CYS 11 -11.784 -3.611 11.194
86 HG CYS 11 HG CYS 11 -11.089 -1.480 10.289
87 H HIS 12 H HIS 12 -11.548 -2.696 7.328
88 HA HIS 12 HA HIS 12 -12.663 -4.296 5.296
89 1HB HIS 12 1HB HIS 12 -14.655 -3.667 6.854
90 2HB HIS 12 2HB HIS 12 -14.507 -2.071 6.146
91 HD1 HIS 12 HD1 HIS 12 -15.851 -1.704 4.072
92 HD2 HIS 12 HD2 HIS 12 -14.971 -5.760 4.684
93 HE1 HIS 12 HE1 HIS 12 -17.061 -2.985 2.226
94 H LEU 13 H LEU 13 -12.635 -0.827 6.404
95 HA LEU 13 HA LEU 13 -12.236 0.366 4.009
96 1HB LEU 13 1HB LEU 13 -12.623 1.515 6.124
97 2HB LEU 13 2HB LEU 13 -11.014 1.091 6.676
98 HG LEU 13 HG LEU 13 -10.583 2.400 4.238
99 1HD1 LEU 13 1HD1 LEU 13 -11.923 4.235 4.044
100 2HD1 LEU 13 2HD1 LEU 13 -13.104 3.079 4.704
101 3HD1 LEU 13 3HD1 LEU 13 -12.329 4.269 5.777
102 1HD2 LEU 13 1HD2 LEU 13 -9.171 2.514 6.234
103 2HD2 LEU 13 2HD2 LEU 13 -9.572 4.137 5.624
104 3HD2 LEU 13 3HD2 LEU 13 -10.406 3.494 7.059
105 H CYS 14 H CYS 14 -9.778 -1.247 6.095
106 HA CYS 14 HA CYS 14 -7.630 -0.529 4.403
107 1HB CYS 14 1HB CYS 14 -7.861 -2.648 6.564
108 2HB CYS 14 2HB CYS 14 -6.369 -2.241 5.739
109 HG CYS 14 HG CYS 14 -7.765 0.454 6.453
110 H ASP 15 H ASP 15 -9.871 -3.323 4.766
111 HA ASP 15 HA ASP 15 -8.595 -5.130 3.194
112 1HB ASP 15 1HB ASP 15 -10.867 -5.218 4.535
113 2HB ASP 15 2HB ASP 15 -11.599 -4.711 3.026
114 H GLN 16 H GLN 16 -10.659 -2.307 2.346
115 HA GLN 16 HA GLN 16 -10.961 -2.952 -0.350
116 1HB GLN 16 1HB GLN 16 -11.470 -0.622 1.416
117 2HB GLN 16 2HB GLN 16 -11.157 -0.189 -0.253
118 1HG GLN 16 1HG GLN 16 -12.874 -2.370 -0.525
119 2HG GLN 16 2HG GLN 16 -13.487 -1.596 0.923
120 1HE2 GLN 16 1HE2 GLN 16 -13.958 0.695 0.848
121 2HE2 GLN 16 2HE2 GLN 16 -14.523 1.422 -0.619
122 H ALA 17 H ALA 17 -8.491 -1.114 1.499
123 HA ALA 17 HA ALA 17 -7.173 0.034 -0.665
124 1HB ALA 17 1HB ALA 17 -5.365 -0.741 1.468
125 2HB ALA 17 2HB ALA 17 -5.963 0.877 1.031
126 3HB ALA 17 3HB ALA 17 -6.901 -0.147 2.145
127 H VAL 18 H VAL 18 -6.650 -3.127 1.036
128 HA VAL 18 HA VAL 18 -4.499 -3.922 -0.555
129 HB VAL 18 HB VAL 18 -6.558 -5.604 0.887
130 1HG1 VAL 18 1HG1 VAL 18 -3.732 -6.207 -0.042
131 2HG1 VAL 18 2HG1 VAL 18 -4.665 -7.235 1.073
132 3HG1 VAL 18 3HG1 VAL 18 -5.240 -6.976 -0.592
133 1HG2 VAL 18 1HG2 VAL 18 -3.977 -5.148 2.210
134 2HG2 VAL 18 2HG2 VAL 18 -4.940 -3.665 2.005
135 3HG2 VAL 18 3HG2 VAL 18 -5.632 -5.064 2.860
136 H GLU 19 H GLU 19 -8.042 -4.085 -0.987
137 HA GLU 19 HA GLU 19 -8.055 -5.932 -3.037
138 1HB GLU 19 1HB GLU 19 -9.942 -4.413 -1.654
139 2HB GLU 19 2HB GLU 19 -10.077 -3.791 -3.286
140 1HG GLU 19 1HG GLU 19 -9.873 -6.745 -3.189
141 2HG GLU 19 2HG GLU 19 -11.272 -6.128 -2.333
142 H ALA 20 H ALA 20 -7.891 -2.309 -3.120
143 HA ALA 20 HA ALA 20 -7.867 -2.061 -5.889
144 1HB ALA 20 1HB ALA 20 -7.425 0.174 -5.460
145 2HB ALA 20 2HB ALA 20 -8.063 -0.338 -3.879
146 3HB ALA 20 3HB ALA 20 -6.306 -0.191 -4.125
147 H LEU 21 H LEU 21 -5.266 -2.716 -3.500
148 HA LEU 21 HA LEU 21 -3.135 -2.358 -5.290
149 1HB LEU 21 1HB LEU 21 -3.575 -3.414 -2.586
150 2HB LEU 21 2HB LEU 21 -2.241 -4.168 -3.436
151 HG LEU 21 HG LEU 21 -2.370 -1.186 -3.472
152 1HD1 LEU 21 1HD1 LEU 21 -1.947 -2.832 -1.001
153 2HD1 LEU 21 2HD1 LEU 21 -1.021 -1.330 -1.234
154 3HD1 LEU 21 3HD1 LEU 21 -2.800 -1.284 -1.212
155 1HD2 LEU 21 1HD2 LEU 21 0.055 -1.392 -3.372
156 2HD2 LEU 21 2HD2 LEU 21 -0.085 -3.153 -3.153
157 3HD2 LEU 21 3HD2 LEU 21 -0.611 -2.401 -4.678
158 H ALA 22 H ALA 22 -4.723 -5.403 -4.088
159 HA ALA 22 HA ALA 22 -3.359 -7.123 -5.760
160 1HB ALA 22 1HB ALA 22 -5.485 -7.202 -3.876
161 2HB ALA 22 2HB ALA 22 -6.085 -7.994 -5.353
162 3HB ALA 22 3HB ALA 22 -4.594 -8.576 -4.575
163 H GLN 23 H GLN 23 -6.388 -5.235 -6.299
164 HA GLN 23 HA GLN 23 -7.071 -6.369 -8.698
165 1HB GLN 23 1HB GLN 23 -7.570 -3.708 -7.381
166 2HB GLN 23 2HB GLN 23 -8.016 -3.881 -9.067
167 1HG GLN 23 1HG GLN 23 -8.961 -6.252 -7.847
168 2HG GLN 23 2HG GLN 23 -9.316 -4.993 -6.681
169 1HE2 GLN 23 1HE2 GLN 23 -11.475 -5.980 -7.502
170 2HE2 GLN 23 2HE2 GLN 23 -12.289 -5.087 -8.744
171 H ALA 24 H ALA 24 -4.991 -3.472 -8.027
172 HA ALA 24 HA ALA 24 -4.423 -2.994 -10.750
173 1HB ALA 24 1HB ALA 24 -3.931 -1.101 -9.604
174 2HB ALA 24 2HB ALA 24 -3.627 -1.984 -8.089
175 3HB ALA 24 3HB ALA 24 -2.350 -1.869 -9.323
176 H ARG 25 H ARG 25 -3.475 -5.475 -8.570
177 HA ARG 25 HA ARG 25 -2.082 -7.119 -8.729
178 1HB ARG 25 1HB ARG 25 -2.145 -6.154 -11.561
179 2HB ARG 25 2HB ARG 25 -0.764 -7.153 -11.155
180 1HG ARG 25 1HG ARG 25 -3.107 -8.375 -9.991
181 2HG ARG 25 2HG ARG 25 -3.482 -7.980 -11.656
182 1HD ARG 25 1HD ARG 25 -0.923 -9.029 -11.907
183 2HD ARG 25 2HD ARG 25 -1.558 -9.977 -10.577
184 HE ARG 25 HE ARG 25 -3.634 -10.098 -12.349
185 1HH1 ARG 25 2HH2 ARG 25 -0.178 -10.611 -12.770
186 2HH1 ARG 25 1HH2 ARG 25 -0.375 -11.744 -14.065
187 1HH2 ARG 25 2HH1 ARG 25 -3.894 -11.593 -14.058
188 2HH2 ARG 25 1HH1 ARG 25 -2.502 -12.306 -14.803
189 H ALA 26 H ALA 26 -1.182 -4.656 -7.574
190 HA ALA 26 HA ALA 26 1.184 -3.627 -8.463
191 1HB ALA 26 1HB ALA 26 0.403 -2.491 -6.636
192 2HB ALA 26 2HB ALA 26 -0.187 -3.967 -5.835
193 3HB ALA 26 3HB ALA 26 1.544 -3.556 -5.779
194 H GLY 27 H GLY 27 0.824 -6.339 -6.059
195 1HA GLY 27 1HA GLY 27 2.228 -8.325 -6.838
196 2HA GLY 27 2HA GLY 27 3.558 -7.186 -6.774
197 H ALA 28 H ALA 28 4.764 -7.881 -5.027
198 HA ALA 28 HA ALA 28 3.320 -8.450 -2.549
199 1HB ALA 28 1HB ALA 28 5.035 -10.046 -3.619
200 2HB ALA 28 2HB ALA 28 6.270 -8.867 -3.117
201 3HB ALA 28 3HB ALA 28 5.253 -9.665 -1.894
202 H PHE 29 H PHE 29 4.085 -7.484 -0.520
203 HA PHE 29 HA PHE 29 5.917 -5.309 -0.644
204 1HB PHE 29 1HB PHE 29 4.089 -3.645 0.070
205 2HB PHE 29 2HB PHE 29 3.948 -4.177 -1.594
206 HD1 PHE 29 HD1 PHE 29 2.582 -4.658 1.808
207 HD2 PHE 29 HD2 PHE 29 2.028 -5.346 -2.343
208 HE1 PHE 29 HE1 PHE 29 0.226 -5.403 2.246
209 HE2 PHE 29 HE2 PHE 29 -0.329 -6.090 -1.905
210 HZ PHE 29 HZ PHE 29 -1.202 -6.110 0.384
211 H PHE 30 H PHE 30 5.551 -3.964 1.617
212 HA PHE 30 HA PHE 30 5.265 -6.074 3.637
213 1HB PHE 30 1HB PHE 30 6.872 -3.450 3.525
214 2HB PHE 30 2HB PHE 30 6.854 -4.515 4.916
215 HD1 PHE 30 HD1 PHE 30 8.888 -3.550 2.429
216 HD2 PHE 30 HD2 PHE 30 7.234 -7.150 3.950
217 HE1 PHE 30 HE1 PHE 30 10.813 -4.842 1.465
218 HE2 PHE 30 HE2 PHE 30 9.158 -8.442 2.987
219 HZ PHE 30 HZ PHE 30 10.924 -7.273 1.756
220 H SER 31 H SER 31 4.074 -5.655 5.535
221 HA SER 31 HA SER 31 2.377 -3.311 5.291
222 1HB SER 31 1HB SER 31 1.706 -5.948 5.682
223 2HB SER 31 2HB SER 31 1.751 -5.385 7.341
224 HG SER 31 HG SER 31 0.389 -3.752 5.443
225 H VAL 32 H VAL 32 2.138 -1.828 7.047
226 HA VAL 32 HA VAL 32 3.929 -2.300 9.321
227 HB VAL 32 HB VAL 32 3.650 0.211 7.661
228 1HG1 VAL 32 1HG1 VAL 32 3.726 0.848 9.998
229 2HG1 VAL 32 2HG1 VAL 32 5.114 -0.229 10.285
230 3HG1 VAL 32 3HG1 VAL 32 5.299 1.202 9.243
231 1HG2 VAL 32 1HG2 VAL 32 6.259 -1.126 8.291
232 2HG2 VAL 32 2HG2 VAL 32 5.212 -1.831 7.035
233 3HG2 VAL 32 3HG2 VAL 32 5.784 -0.153 6.878
234 H PHE 33 H PHE 33 3.037 -1.840 11.307
235 HA PHE 33 HA PHE 33 0.266 -0.925 11.221
236 1HB PHE 33 1HB PHE 33 1.915 -2.114 13.523
237 2HB PHE 33 2HB PHE 33 0.167 -2.048 13.423
238 HD1 PHE 33 HD1 PHE 33 -0.645 -3.178 11.007
239 HD2 PHE 33 HD2 PHE 33 2.754 -4.239 13.315
240 HE1 PHE 33 HE1 PHE 33 -0.674 -5.474 9.994
241 HE2 PHE 33 HE2 PHE 33 2.725 -6.535 12.302
242 HZ PHE 33 HZ PHE 33 1.012 -7.125 10.653
243 H ILE 34 H ILE 34 -0.419 0.944 12.239
244 HA ILE 34 HA ILE 34 1.700 2.679 13.191
245 HB ILE 34 HB ILE 34 0.152 4.444 12.944
246 1HG1 ILE 34 1HG1 ILE 34 -2.113 2.568 12.293
247 2HG1 ILE 34 2HG1 ILE 34 -1.768 3.002 13.956
248 1HG2 ILE 34 1HG2 ILE 34 1.024 2.968 10.862
249 2HG2 ILE 34 2HG2 ILE 34 -0.732 2.892 10.580
250 3HG2 ILE 34 3HG2 ILE 34 0.085 4.470 10.689
251 1HD1 ILE 34 1HD1 ILE 34 -2.371 4.938 11.674
252 2HD1 ILE 34 2HD1 ILE 34 -3.427 4.558 13.056
253 3HD1 ILE 34 3HD1 ILE 34 -1.901 5.438 13.316
254 H ASP 35 H ASP 35 -0.601 0.430 14.420
255 HA ASP 35 HA ASP 35 -1.478 1.584 16.699
256 1HB ASP 35 1HB ASP 35 -1.914 -0.609 17.471
257 2HB ASP 35 2HB ASP 35 -1.881 -0.794 15.729
258 H ASP 36 H ASP 36 -0.657 0.970 19.046
259 HA ASP 36 HA ASP 36 0.855 1.450 20.551
260 1HB ASP 36 1HB ASP 36 2.101 -0.728 18.869
261 2HB ASP 36 2HB ASP 36 3.065 -0.029 20.154
262 H ASP 37 H ASP 37 0.952 3.618 19.037
263 HA ASP 37 HA ASP 37 3.474 4.598 19.228
264 1HB ASP 37 1HB ASP 37 3.409 2.896 17.032
265 2HB ASP 37 2HB ASP 37 3.047 4.440 16.287
266 H ALA 38 H ALA 38 2.260 6.444 19.931
267 HA ALA 38 HA ALA 38 0.040 7.467 18.593
268 1HB ALA 38 1HB ALA 38 0.172 8.267 20.737
269 2HB ALA 38 2HB ALA 38 1.950 8.349 20.713
270 3HB ALA 38 3HB ALA 38 0.990 9.620 19.919
271 H ALA 39 H ALA 39 3.563 7.997 18.212
272 HA ALA 39 HA ALA 39 3.551 10.283 16.706
273 1HB ALA 39 1HB ALA 39 5.285 7.795 16.688
274 2HB ALA 39 2HB ALA 39 5.646 9.204 15.660
275 3HB ALA 39 3HB ALA 39 5.621 9.377 17.431
276 H LEU 40 H LEU 40 3.027 6.860 15.659
277 HA LEU 40 HA LEU 40 2.729 7.586 12.929
278 1HB LEU 40 1HB LEU 40 1.975 5.072 14.424
279 2HB LEU 40 2HB LEU 40 1.959 5.255 12.681
280 HG LEU 40 HG LEU 40 4.426 5.512 14.424
281 1HD1 LEU 40 1HD1 LEU 40 3.566 3.209 12.652
282 2HD1 LEU 40 2HD1 LEU 40 5.082 3.329 13.577
283 3HD1 LEU 40 3HD1 LEU 40 3.523 3.225 14.431
284 1HD2 LEU 40 1HD2 LEU 40 4.504 6.838 12.339
285 2HD2 LEU 40 2HD2 LEU 40 5.691 5.512 12.363
286 3HD2 LEU 40 3HD2 LEU 40 4.198 5.353 11.406
287 H GLU 41 H GLU 41 0.612 7.368 15.768
288 HA GLU 41 HA GLU 41 -1.781 7.259 14.329
289 1HB GLU 41 1HB GLU 41 -1.130 8.201 17.152
290 2HB GLU 41 2HB GLU 41 -2.769 8.087 16.542
291 1HG GLU 41 1HG GLU 41 -2.056 5.613 15.878
292 2HG GLU 41 2HG GLU 41 -0.784 5.857 17.058
293 H SER 42 H SER 42 0.085 9.989 15.818
294 HA SER 42 HA SER 42 -1.767 11.915 14.952
295 1HB SER 42 1HB SER 42 0.482 11.829 16.649
296 2HB SER 42 2HB SER 42 0.959 12.925 15.368
297 HG SER 42 HG SER 42 -0.795 14.276 15.818
298 H ALA 43 H ALA 43 1.059 10.307 13.542
299 HA ALA 43 HA ALA 43 1.554 12.240 11.529
300 1HB ALA 43 1HB ALA 43 3.207 10.571 12.367
301 2HB ALA 43 2HB ALA 43 2.235 9.274 11.631
302 3HB ALA 43 3HB ALA 43 3.003 10.504 10.600
303 H TYR 44 H TYR 44 -0.364 9.185 11.737
304 HA TYR 44 HA TYR 44 -1.556 9.923 9.148
305 1HB TYR 44 1HB TYR 44 -1.157 7.248 10.629
306 2HB TYR 44 2HB TYR 44 -2.002 7.387 9.101
307 HD1 TYR 44 HD1 TYR 44 -0.545 8.709 7.219
308 HD2 TYR 44 HD2 TYR 44 1.045 6.536 10.543
309 HE1 TYR 44 HE1 TYR 44 1.656 8.413 5.981
310 HE2 TYR 44 HE2 TYR 44 3.241 6.248 9.295
311 HH TYR 44 HH TYR 44 3.789 7.860 6.216
312 H GLY 45 H GLY 45 -2.351 7.856 12.037
313 1HA GLY 45 1HA GLY 45 -4.207 7.733 13.298
314 2HA GLY 45 2HA GLY 45 -4.538 9.402 12.878
315 H LEU 46 H LEU 46 -5.557 9.821 10.669
316 HA LEU 46 HA LEU 46 -7.556 7.747 10.215
317 1HB LEU 46 1HB LEU 46 -7.484 10.658 10.146
318 2HB LEU 46 2HB LEU 46 -8.208 9.981 8.701
319 HG LEU 46 HG LEU 46 -9.800 10.560 10.561
320 1HD1 LEU 46 1HD1 LEU 46 -9.774 7.681 9.615
321 2HD1 LEU 46 2HD1 LEU 46 -11.180 8.549 10.278
322 3HD1 LEU 46 3HD1 LEU 46 -10.450 9.078 8.743
323 1HD2 LEU 46 1HD2 LEU 46 -9.125 9.956 12.611
324 2HD2 LEU 46 2HD2 LEU 46 -9.819 8.370 12.195
325 3HD2 LEU 46 3HD2 LEU 46 -8.074 8.658 11.996
326 H ARG 47 H ARG 47 -4.673 9.187 8.855
327 HA ARG 47 HA ARG 47 -5.340 8.195 6.237
328 1HB ARG 47 1HB ARG 47 -2.878 9.679 7.287
329 2HB ARG 47 2HB ARG 47 -3.105 9.227 5.609
330 1HG ARG 47 1HG ARG 47 -4.301 11.121 5.271
331 2HG ARG 47 2HG ARG 47 -5.513 10.549 6.400
332 1HD ARG 47 1HD ARG 47 -4.642 11.783 8.189
333 2HD ARG 47 2HD ARG 47 -3.005 11.743 7.567
334 HE ARG 47 HE ARG 47 -4.726 13.242 5.787
335 1HH1 ARG 47 2HH2 ARG 47 -3.022 13.469 8.858
336 2HH1 ARG 47 1HH2 ARG 47 -2.880 15.194 8.797
337 1HH2 ARG 47 2HH1 ARG 47 -4.538 15.518 5.707
338 2HH2 ARG 47 1HH1 ARG 47 -3.748 16.368 6.993
339 H VAL 48 H VAL 48 -5.139 6.181 8.261
340 HA VAL 48 HA VAL 48 -2.563 5.078 8.438
341 HB VAL 48 HB VAL 48 -5.116 3.501 8.588
342 1HG1 VAL 48 1HG1 VAL 48 -3.041 3.303 10.686
343 2HG1 VAL 48 2HG1 VAL 48 -3.930 2.026 9.822
344 3HG1 VAL 48 3HG1 VAL 48 -2.522 2.803 9.059
345 1HG2 VAL 48 1HG2 VAL 48 -5.952 5.114 9.934
346 2HG2 VAL 48 2HG2 VAL 48 -4.841 4.417 11.138
347 3HG2 VAL 48 3HG2 VAL 48 -4.359 5.858 10.211
348 HA PRO 49 HA PRO 49 -4.017 2.580 4.681
349 1HB PRO 49 1HB PRO 49 -6.144 3.478 3.219
350 2HB PRO 49 2HB PRO 49 -6.283 2.240 4.451
351 1HG PRO 49 1HG PRO 49 -7.105 5.076 4.575
352 2HG PRO 49 2HG PRO 49 -7.604 3.743 5.597
353 1HD PRO 49 1HD PRO 49 -5.724 5.805 6.262
354 2HD PRO 49 2HD PRO 49 -6.137 4.409 7.237
355 H VAL 50 H VAL 50 -2.006 4.156 4.699
356 HA VAL 50 HA VAL 50 -2.259 5.717 2.225
357 HB VAL 50 HB VAL 50 -0.573 6.013 4.699
358 1HG1 VAL 50 1HG1 VAL 50 -0.123 7.486 2.082
359 2HG1 VAL 50 2HG1 VAL 50 0.771 7.705 3.606
360 3HG1 VAL 50 3HG1 VAL 50 0.911 6.177 2.704
361 1HG2 VAL 50 1HG2 VAL 50 -2.092 8.168 3.232
362 2HG2 VAL 50 2HG2 VAL 50 -2.918 7.063 4.356
363 3HG2 VAL 50 3HG2 VAL 50 -1.597 8.102 4.940
364 H LEU 51 H LEU 51 -1.227 4.964 0.445
365 HA LEU 51 HA LEU 51 0.465 2.642 0.779
366 1HB LEU 51 1HB LEU 51 -1.437 3.345 -1.045
367 2HB LEU 51 2HB LEU 51 0.030 3.768 -1.906
368 HG LEU 51 HG LEU 51 -0.443 1.047 -0.665
369 1HD1 LEU 51 1HD1 LEU 51 -0.748 0.430 -3.185
370 2HD1 LEU 51 2HD1 LEU 51 -2.121 1.064 -2.246
371 3HD1 LEU 51 3HD1 LEU 51 -1.225 2.137 -3.349
372 1HD2 LEU 51 1HD2 LEU 51 1.597 2.056 -2.665
373 2HD2 LEU 51 2HD2 LEU 51 1.897 1.528 -0.991
374 3HD2 LEU 51 3HD2 LEU 51 1.364 0.350 -2.215
375 H ARG 52 H ARG 52 2.621 2.795 1.039
376 HA ARG 52 HA ARG 52 3.840 5.242 0.044
377 1HB ARG 52 1HB ARG 52 3.935 4.762 2.558
378 2HB ARG 52 2HB ARG 52 4.922 3.360 2.197
379 1HG ARG 52 1HG ARG 52 6.405 5.108 0.841
380 2HG ARG 52 2HG ARG 52 5.600 6.290 1.854
381 1HD ARG 52 1HD ARG 52 6.589 5.493 3.825
382 2HD ARG 52 2HD ARG 52 6.754 3.859 3.214
383 HE ARG 52 HE ARG 52 8.446 5.269 1.563
384 1HH1 ARG 52 2HH2 ARG 52 8.110 5.104 5.062
385 2HH1 ARG 52 1HH2 ARG 52 9.784 5.431 5.366
386 1HH2 ARG 52 2HH1 ARG 52 10.654 5.700 1.963
387 2HH2 ARG 52 1HH1 ARG 52 11.241 5.773 3.591
388 H ASP 53 H ASP 53 5.944 5.061 -1.042
389 HA ASP 53 HA ASP 53 6.409 2.352 -2.015
390 1HB ASP 53 1HB ASP 53 7.602 3.838 -3.922
391 2HB ASP 53 2HB ASP 53 5.902 3.419 -3.996
392 HA PRO 54 HA PRO 54 10.549 2.902 -0.674
393 1HB PRO 54 1HB PRO 54 12.037 1.553 -2.526
394 2HB PRO 54 2HB PRO 54 11.151 0.754 -1.242
395 1HG PRO 54 1HG PRO 54 10.492 0.926 -4.119
396 2HG PRO 54 2HG PRO 54 9.879 -0.192 -2.917
397 1HD PRO 54 1HD PRO 54 8.514 2.090 -3.993
398 2HD PRO 54 2HD PRO 54 7.949 1.040 -2.709
399 H MET 55 H MET 55 9.740 4.050 -3.790
400 HA MET 55 HA MET 55 12.166 5.285 -4.349
401 1HB MET 55 1HB MET 55 9.268 5.860 -5.158
402 2HB MET 55 2HB MET 55 10.612 6.754 -5.841
403 1HG MET 55 1HG MET 55 11.241 5.014 -7.195
404 2HG MET 55 2HG MET 55 11.038 3.825 -5.923
405 1HE MET 55 1HE MET 55 10.551 2.483 -7.799
406 2HE MET 55 2HE MET 55 9.068 1.789 -7.100
407 3HE MET 55 3HE MET 55 9.054 2.432 -8.760
408 H GLY 56 H GLY 56 9.185 6.432 -2.657
409 1HA GLY 56 1HA GLY 56 9.742 7.882 -0.712
410 2HA GLY 56 2HA GLY 56 10.696 8.839 -1.828
411 H ARG 57 H ARG 57 7.423 7.281 -2.134
412 HA ARG 57 HA ARG 57 6.319 9.942 -2.364
413 1HB ARG 57 1HB ARG 57 5.698 7.723 -4.375
414 2HB ARG 57 2HB ARG 57 5.064 9.356 -4.408
415 1HG ARG 57 1HG ARG 57 7.852 9.733 -4.302
416 2HG ARG 57 2HG ARG 57 7.665 8.344 -5.354
417 1HD ARG 57 1HD ARG 57 5.970 10.842 -5.744
418 2HD ARG 57 2HD ARG 57 7.576 10.724 -6.434
419 HE ARG 57 HE ARG 57 6.366 8.355 -7.223
420 1HH1 ARG 57 2HH2 ARG 57 5.525 11.758 -7.528
421 2HH1 ARG 57 1HH2 ARG 57 4.651 11.541 -9.008
422 1HH2 ARG 57 2HH1 ARG 57 5.213 8.068 -9.175
423 2HH2 ARG 57 1HH1 ARG 57 4.472 9.428 -9.951
424 H GLU 58 H GLU 58 3.831 9.864 -2.242
425 HA GLU 58 HA GLU 58 2.923 7.410 -0.984
426 1HB GLU 58 1HB GLU 58 2.755 10.213 0.174
427 2HB GLU 58 2HB GLU 58 1.639 8.957 0.669
428 1HG GLU 58 1HG GLU 58 4.078 7.639 0.851
429 2HG GLU 58 2HG GLU 58 4.526 9.274 1.299
430 H LEU 59 H LEU 59 0.660 6.972 -1.267
431 HA LEU 59 HA LEU 59 -0.634 8.801 -3.169
432 1HB LEU 59 1HB LEU 59 0.108 6.670 -4.162
433 2HB LEU 59 2HB LEU 59 -0.868 5.794 -3.000
434 HG LEU 59 HG LEU 59 -2.911 6.801 -3.929
435 1HD1 LEU 59 1HD1 LEU 59 -1.043 8.122 -5.915
436 2HD1 LEU 59 2HD1 LEU 59 -2.818 8.079 -6.038
437 3HD1 LEU 59 3HD1 LEU 59 -2.040 8.932 -4.683
438 1HD2 LEU 59 1HD2 LEU 59 -2.127 5.836 -6.454
439 2HD2 LEU 59 2HD2 LEU 59 -1.158 4.942 -5.259
440 3HD2 LEU 59 3HD2 LEU 59 -2.934 4.945 -5.142
441 H ASP 60 H ASP 60 -2.837 9.287 -2.843
442 HA ASP 60 HA ASP 60 -3.642 9.529 -0.274
443 1HB ASP 60 1HB ASP 60 -5.838 10.078 -1.164
444 2HB ASP 60 2HB ASP 60 -4.631 10.678 -2.284
445 H TRP 61 H TRP 61 -5.633 8.443 0.796
446 HA TRP 61 HA TRP 61 -5.256 5.636 0.827
447 1HB TRP 61 1HB TRP 61 -5.960 6.128 2.871
448 2HB TRP 61 2HB TRP 61 -6.662 7.653 2.367
449 HD1 TRP 61 HD1 TRP 61 -9.134 7.602 3.212
450 HE1 TRP 61 HE1 TRP 61 -11.205 5.966 3.170
451 HE3 TRP 61 HE3 TRP 61 -6.674 3.700 1.071
452 HZ2 TRP 61 HZ2 TRP 61 -11.573 3.284 2.266
453 HZ3 TRP 61 HZ3 TRP 61 -7.962 1.610 0.643
454 HH2 TRP 61 HH2 TRP 61 -10.329 1.365 1.204
455 HA PRO 62 HA PRO 62 -9.414 5.741 -1.447
456 1HB PRO 62 1HB PRO 62 -10.486 8.117 -2.269
457 2HB PRO 62 2HB PRO 62 -10.932 7.333 -0.766
458 1HG PRO 62 1HG PRO 62 -9.209 9.699 -1.183
459 2HG PRO 62 2HG PRO 62 -10.002 9.164 0.285
460 1HD PRO 62 1HD PRO 62 -7.223 8.879 -0.367
461 2HD PRO 62 2HD PRO 62 -8.038 8.242 1.047
462 H PHE 63 H PHE 63 -8.934 4.694 -3.263
463 HA PHE 63 HA PHE 63 -8.259 6.358 -5.515
464 1HB PHE 63 1HB PHE 63 -6.265 4.590 -5.853
465 2HB PHE 63 2HB PHE 63 -6.006 5.997 -4.842
466 HD1 PHE 63 HD1 PHE 63 -7.836 2.834 -4.103
467 HD2 PHE 63 HD2 PHE 63 -4.526 5.326 -3.190
468 HE1 PHE 63 HE1 PHE 63 -7.243 1.340 -2.176
469 HE2 PHE 63 HE2 PHE 63 -3.933 3.832 -1.262
470 HZ PHE 63 HZ PHE 63 -5.298 1.857 -0.778
471 H ASP 64 H ASP 64 -7.529 4.485 -7.376
472 HA ASP 64 HA ASP 64 -9.661 2.508 -7.157
473 1HB ASP 64 1HB ASP 64 -8.704 3.802 -9.746
474 2HB ASP 64 2HB ASP 64 -10.107 2.772 -9.539
475 H ALA 65 H ALA 65 -9.106 1.001 -9.460
476 HA ALA 65 HA ALA 65 -6.665 -0.290 -8.705
477 1HB ALA 65 1HB ALA 65 -9.070 -1.089 -9.777
478 2HB ALA 65 2HB ALA 65 -8.014 -1.102 -11.210
479 3HB ALA 65 3HB ALA 65 -7.582 -2.067 -9.779
480 HA PRO 66 HA PRO 66 -5.440 1.435 -12.941
481 1HB PRO 66 1HB PRO 66 -7.017 3.301 -14.165
482 2HB PRO 66 2HB PRO 66 -7.096 1.590 -14.533
483 1HG PRO 66 1HG PRO 66 -8.980 3.236 -12.959
484 2HG PRO 66 2HG PRO 66 -9.241 1.664 -13.688
485 1HD PRO 66 1HD PRO 66 -8.771 2.211 -10.912
486 2HD PRO 66 2HD PRO 66 -8.916 0.633 -11.659
487 H ARG 67 H ARG 67 -6.835 3.440 -10.550
488 HA ARG 67 HA ARG 67 -5.165 5.638 -11.247
489 1HB ARG 67 1HB ARG 67 -7.543 5.391 -9.858
490 2HB ARG 67 2HB ARG 67 -6.412 5.555 -8.531
491 1HG ARG 67 1HG ARG 67 -5.834 7.734 -9.095
492 2HG ARG 67 2HG ARG 67 -6.042 7.463 -10.814
493 1HD ARG 67 1HD ARG 67 -8.613 7.148 -9.488
494 2HD ARG 67 2HD ARG 67 -7.899 8.670 -8.996
495 HE ARG 67 HE ARG 67 -8.906 8.014 -11.640
496 1HH1 ARG 67 2HH2 ARG 67 -6.509 9.954 -9.945
497 2HH1 ARG 67 1HH2 ARG 67 -6.399 11.144 -11.198
498 1HH2 ARG 67 2HH1 ARG 67 -8.761 9.584 -13.294
499 2HH2 ARG 67 1HH1 ARG 67 -7.689 10.932 -13.116
500 H LEU 68 H LEU 68 -5.166 2.858 -9.022
501 HA LEU 68 HA LEU 68 -3.003 3.883 -7.437
502 1HB LEU 68 1HB LEU 68 -4.836 2.423 -6.584
503 2HB LEU 68 2HB LEU 68 -4.190 1.107 -7.545
504 HG LEU 68 HG LEU 68 -2.031 2.123 -6.001
505 1HD1 LEU 68 1HD1 LEU 68 -4.612 2.321 -4.615
506 2HD1 LEU 68 2HD1 LEU 68 -3.398 1.344 -3.755
507 3HD1 LEU 68 3HD1 LEU 68 -3.027 3.023 -4.212
508 1HD2 LEU 68 1HD2 LEU 68 -1.686 -0.064 -5.561
509 2HD2 LEU 68 2HD2 LEU 68 -3.386 -0.366 -5.131
510 3HD2 LEU 68 3HD2 LEU 68 -2.902 -0.285 -6.842
511 H ARG 69 H ARG 69 -3.483 1.630 -10.190
512 HA ARG 69 HA ARG 69 -0.834 0.714 -10.127
513 1HB ARG 69 1HB ARG 69 -2.650 -0.574 -11.211
514 2HB ARG 69 2HB ARG 69 -2.927 0.720 -12.360
515 1HG ARG 69 1HG ARG 69 -1.564 -0.683 -13.634
516 2HG ARG 69 2HG ARG 69 -0.357 0.384 -12.944
517 1HD ARG 69 1HD ARG 69 0.483 -1.249 -11.515
518 2HD ARG 69 2HD ARG 69 -1.073 -2.025 -11.303
519 HE ARG 69 HE ARG 69 -0.346 -2.405 -14.015
520 1HH1 ARG 69 2HH2 ARG 69 0.845 -3.329 -10.835
521 2HH1 ARG 69 1HH2 ARG 69 1.571 -4.799 -11.394
522 1HH2 ARG 69 2HH1 ARG 69 0.612 -4.344 -14.752
523 2HH2 ARG 69 1HH1 ARG 69 1.438 -5.380 -13.637
524 H ALA 70 H ALA 70 -2.636 3.152 -12.125
525 HA ALA 70 HA ALA 70 -0.574 3.867 -13.814
526 1HB ALA 70 1HB ALA 70 -1.877 6.096 -13.862
527 2HB ALA 70 2HB ALA 70 -2.769 4.619 -14.299
528 3HB ALA 70 3HB ALA 70 -2.973 5.336 -12.683
529 H TRP 71 H TRP 71 -1.157 4.620 -10.395
530 HA TRP 71 HA TRP 71 0.625 6.825 -10.288
531 1HB TRP 71 1HB TRP 71 -1.084 6.673 -8.656
532 2HB TRP 71 2HB TRP 71 -0.630 5.040 -8.209
533 HD1 TRP 71 HD1 TRP 71 0.773 8.657 -7.882
534 HE1 TRP 71 HE1 TRP 71 2.344 8.861 -5.772
535 HE3 TRP 71 HE3 TRP 71 0.659 3.721 -6.666
536 HZ2 TRP 71 HZ2 TRP 71 3.341 6.978 -3.874
537 HZ3 TRP 71 HZ3 TRP 71 1.958 2.987 -4.670
538 HH2 TRP 71 HH2 TRP 71 3.267 4.525 -3.293
539 H LEU 72 H LEU 72 0.835 3.262 -9.881
540 HA LEU 72 HA LEU 72 3.450 3.253 -8.839
541 1HB LEU 72 1HB LEU 72 1.791 1.161 -10.245
542 2HB LEU 72 2HB LEU 72 3.380 0.845 -9.579
543 HG LEU 72 HG LEU 72 1.371 2.061 -7.744
544 1HD1 LEU 72 1HD1 LEU 72 -0.204 0.548 -8.214
545 2HD1 LEU 72 2HD1 LEU 72 0.910 -0.456 -9.173
546 3HD1 LEU 72 3HD1 LEU 72 0.865 -0.620 -7.401
547 1HD2 LEU 72 1HD2 LEU 72 3.784 1.446 -7.181
548 2HD2 LEU 72 2HD2 LEU 72 2.515 0.870 -6.074
549 3HD2 LEU 72 3HD2 LEU 72 3.248 -0.250 -7.248
550 H ASP 73 H ASP 73 2.115 2.846 -12.183
551 HA ASP 73 HA ASP 73 4.635 2.524 -13.331
552 1HB ASP 73 1HB ASP 73 2.271 1.995 -14.284
553 2HB ASP 73 2HB ASP 73 2.183 3.692 -14.711
554 H ALA 74 H ALA 74 2.494 5.315 -12.599
555 HA ALA 74 HA ALA 74 3.426 7.310 -14.120
556 1HB ALA 74 1HB ALA 74 1.856 8.109 -12.680
557 2HB ALA 74 2HB ALA 74 2.385 7.048 -11.354
558 3HB ALA 74 3HB ALA 74 3.263 8.559 -11.689
559 H ALA 75 H ALA 75 5.157 5.641 -11.483
560 HA ALA 75 HA ALA 75 7.242 5.772 -10.752
561 1HB ALA 75 1HB ALA 75 8.486 5.222 -12.538
562 2HB ALA 75 2HB ALA 75 7.318 6.005 -13.629
563 3HB ALA 75 3HB ALA 75 8.649 6.953 -12.923
564 HA PRO 76 HA PRO 76 8.116 9.773 -9.360
565 1HB PRO 76 1HB PRO 76 10.805 9.758 -8.873
566 2HB PRO 76 2HB PRO 76 9.632 9.031 -7.794
567 1HG PRO 76 1HG PRO 76 11.495 7.708 -9.670
568 2HG PRO 76 2HG PRO 76 10.638 7.019 -8.305
569 1HD PRO 76 1HD PRO 76 9.979 6.709 -11.079
570 2HD PRO 76 2HD PRO 76 9.057 6.118 -9.710
571 H HIS 77 H HIS 77 9.614 11.815 -9.538
572 HA HIS 77 HA HIS 77 10.681 12.036 -12.193
573 1HB HIS 77 1HB HIS 77 7.978 12.717 -11.769
574 2HB HIS 77 2HB HIS 77 8.839 14.242 -11.827
575 HD1 HIS 77 HD1 HIS 77 7.654 14.735 -14.140
576 HD2 HIS 77 HD2 HIS 77 10.243 11.435 -14.141
577 HE1 HIS 77 HE1 HIS 77 8.073 14.156 -16.589
578 H ALA 78 H ALA 78 9.363 14.306 -9.675
579 HA ALA 78 HA ALA 78 12.131 15.183 -9.235
580 1HB ALA 78 1HB ALA 78 10.173 17.308 -8.877
581 2HB ALA 78 2HB ALA 78 11.634 17.276 -9.894
582 3HB ALA 78 3HB ALA 78 10.095 16.643 -10.527
Start of MODEL 8
1 1H MET 1 1H MET 1 14.335 -3.491 -2.125
2 HA MET 1 HA MET 1 13.140 -2.883 0.464
3 1HB MET 1 1HB MET 1 12.650 -0.593 -0.391
4 2HB MET 1 2HB MET 1 14.375 -0.896 -0.453
5 1HG MET 1 1HG MET 1 12.964 -1.740 -2.921
6 2HG MET 1 2HG MET 1 12.804 -0.026 -2.593
7 1HE MET 1 1HE MET 1 16.156 -1.883 -4.683
8 2HE MET 1 2HE MET 1 14.798 -2.780 -3.961
9 3HE MET 1 3HE MET 1 14.481 -1.459 -5.112
10 H ALA 2 H ALA 2 10.785 -1.859 0.009
11 HA ALA 2 HA ALA 2 9.495 -2.820 -2.341
12 1HB ALA 2 1HB ALA 2 9.768 -4.616 -0.096
13 2HB ALA 2 2HB ALA 2 8.056 -4.173 -0.294
14 3HB ALA 2 3HB ALA 2 8.954 -4.888 -1.655
15 H LEU 3 H LEU 3 6.907 -2.678 -1.777
16 HA LEU 3 HA LEU 3 6.568 0.036 -1.021
17 1HB LEU 3 1HB LEU 3 4.667 -2.183 -1.763
18 2HB LEU 3 2HB LEU 3 4.122 -0.574 -1.331
19 HG LEU 3 HG LEU 3 6.116 -1.016 -3.554
20 1HD1 LEU 3 1HD1 LEU 3 4.144 -0.873 -5.114
21 2HD1 LEU 3 2HD1 LEU 3 4.292 -2.395 -4.203
22 3HD1 LEU 3 3HD1 LEU 3 3.099 -1.173 -3.704
23 1HD2 LEU 3 1HD2 LEU 3 5.947 1.176 -3.950
24 2HD2 LEU 3 2HD2 LEU 3 4.178 1.172 -3.753
25 3HD2 LEU 3 3HD2 LEU 3 5.232 1.280 -2.323
26 H THR 4 H THR 4 4.490 0.436 0.539
27 HA THR 4 HA THR 4 4.489 -1.317 2.824
28 HB THR 4 HB THR 4 5.832 1.428 2.853
29 HG1 THR 4 HG1 THR 4 7.457 -0.029 3.859
30 1HG2 THR 4 1HG2 THR 4 6.089 0.835 5.373
31 2HG2 THR 4 2HG2 THR 4 4.506 1.474 4.867
32 3HG2 THR 4 3HG2 THR 4 4.718 -0.274 5.130
33 H LEU 5 H LEU 5 2.382 -1.527 3.212
34 HA LEU 5 HA LEU 5 0.743 0.887 2.875
35 1HB LEU 5 1HB LEU 5 -0.070 -0.609 1.333
36 2HB LEU 5 2HB LEU 5 0.267 -2.009 2.332
37 HG LEU 5 HG LEU 5 -1.614 -0.915 3.877
38 1HD1 LEU 5 1HD1 LEU 5 -1.857 0.494 1.293
39 2HD1 LEU 5 2HD1 LEU 5 -3.369 -0.187 1.939
40 3HD1 LEU 5 3HD1 LEU 5 -2.417 0.954 2.918
41 1HD2 LEU 5 1HD2 LEU 5 -1.544 -3.180 2.758
42 2HD2 LEU 5 2HD2 LEU 5 -3.162 -2.474 2.988
43 3HD2 LEU 5 3HD2 LEU 5 -2.394 -2.436 1.383
44 H TYR 6 H TYR 6 0.664 1.864 4.853
45 HA TYR 6 HA TYR 6 0.851 0.469 7.277
46 1HB TYR 6 1HB TYR 6 -0.378 3.170 6.440
47 2HB TYR 6 2HB TYR 6 -0.017 2.753 8.103
48 HD1 TYR 6 HD1 TYR 6 1.288 4.078 5.020
49 HD2 TYR 6 HD2 TYR 6 2.417 2.318 8.753
50 HE1 TYR 6 HE1 TYR 6 3.647 4.987 4.744
51 HE2 TYR 6 HE2 TYR 6 4.771 3.232 8.464
52 HH TYR 6 HH TYR 6 6.224 3.920 6.660
53 H GLN 7 H GLN 7 -0.653 -0.436 8.641
54 HA GLN 7 HA GLN 7 -3.375 0.237 8.456
55 1HB GLN 7 1HB GLN 7 -4.287 -1.876 7.648
56 2HB GLN 7 2HB GLN 7 -3.198 -1.228 6.438
57 1HG GLN 7 1HG GLN 7 -1.712 -2.959 6.658
58 2HG GLN 7 2HG GLN 7 -1.833 -2.972 8.406
59 1HE2 GLN 7 1HE2 GLN 7 -2.756 -4.422 5.488
60 2HE2 GLN 7 2HE2 GLN 7 -3.883 -5.595 6.086
61 H ARG 8 H ARG 8 -4.605 -0.687 10.232
62 HA ARG 8 HA ARG 8 -3.041 -2.378 11.985
63 1HB ARG 8 1HB ARG 8 -3.966 -0.920 13.940
64 2HB ARG 8 2HB ARG 8 -2.627 -0.270 13.015
65 1HG ARG 8 1HG ARG 8 -3.865 1.510 12.343
66 2HG ARG 8 2HG ARG 8 -5.124 0.464 11.717
67 1HD ARG 8 1HD ARG 8 -6.318 0.444 13.773
68 2HD ARG 8 2HD ARG 8 -4.914 0.913 14.710
69 HE ARG 8 HE ARG 8 -5.376 3.044 12.928
70 1HH1 ARG 8 2HH2 ARG 8 -7.136 1.436 15.516
71 2HH1 ARG 8 1HH2 ARG 8 -8.034 2.850 15.956
72 1HH2 ARG 8 2HH1 ARG 8 -6.560 4.910 13.509
73 2HH2 ARG 8 1HH1 ARG 8 -7.704 4.839 14.807
74 H ASP 9 H ASP 9 -4.289 -4.105 12.655
75 HA ASP 9 HA ASP 9 -6.005 -5.338 13.142
76 1HB ASP 9 1HB ASP 9 -6.656 -3.415 14.649
77 2HB ASP 9 2HB ASP 9 -7.615 -2.748 13.343
78 H ASP 10 H ASP 10 -6.437 -6.437 11.187
79 HA ASP 10 HA ASP 10 -7.076 -5.492 8.820
80 1HB ASP 10 1HB ASP 10 -6.866 -7.941 9.628
81 2HB ASP 10 2HB ASP 10 -8.575 -7.868 10.006
82 H CYS 11 H CYS 11 -8.704 -4.129 8.066
83 HA CYS 11 HA CYS 11 -11.317 -4.359 9.365
84 1HB CYS 11 1HB CYS 11 -9.613 -1.950 9.024
85 2HB CYS 11 2HB CYS 11 -11.306 -1.745 8.621
86 HG CYS 11 HG CYS 11 -10.096 -1.406 11.297
87 H HIS 12 H HIS 12 -13.050 -3.264 7.830
88 HA HIS 12 HA HIS 12 -12.822 -4.558 5.335
89 1HB HIS 12 1HB HIS 12 -14.867 -3.507 6.945
90 2HB HIS 12 2HB HIS 12 -14.928 -2.559 5.472
91 HD1 HIS 12 HD1 HIS 12 -17.123 -4.681 6.335
92 HD2 HIS 12 HD2 HIS 12 -14.022 -5.344 3.589
93 HE1 HIS 12 HE1 HIS 12 -17.892 -6.599 4.837
94 H LEU 13 H LEU 13 -12.631 -1.125 6.437
95 HA LEU 13 HA LEU 13 -12.464 0.027 3.920
96 1HB LEU 13 1HB LEU 13 -12.908 1.286 5.924
97 2HB LEU 13 2HB LEU 13 -11.338 0.878 6.588
98 HG LEU 13 HG LEU 13 -10.877 2.118 4.067
99 1HD1 LEU 13 1HD1 LEU 13 -12.027 4.146 4.096
100 2HD1 LEU 13 2HD1 LEU 13 -13.278 2.944 4.494
101 3HD1 LEU 13 3HD1 LEU 13 -12.555 3.937 5.782
102 1HD2 LEU 13 1HD2 LEU 13 -9.331 2.138 5.940
103 2HD2 LEU 13 2HD2 LEU 13 -9.724 3.802 5.443
104 3HD2 LEU 13 3HD2 LEU 13 -10.471 3.109 6.902
105 H CYS 14 H CYS 14 -10.093 -1.755 5.868
106 HA CYS 14 HA CYS 14 -7.863 -0.864 4.353
107 1HB CYS 14 1HB CYS 14 -8.243 -3.121 6.337
108 2HB CYS 14 2HB CYS 14 -6.720 -2.825 5.523
109 HG CYS 14 HG CYS 14 -8.348 -0.304 6.833
110 H ASP 15 H ASP 15 -9.963 -3.819 4.487
111 HA ASP 15 HA ASP 15 -8.683 -5.355 2.682
112 1HB ASP 15 1HB ASP 15 -11.402 -5.096 3.744
113 2HB ASP 15 2HB ASP 15 -11.447 -5.636 2.077
114 H GLN 16 H GLN 16 -10.805 -2.507 2.191
115 HA GLN 16 HA GLN 16 -11.215 -2.882 -0.542
116 1HB GLN 16 1HB GLN 16 -11.667 -0.751 1.469
117 2HB GLN 16 2HB GLN 16 -11.411 -0.142 -0.154
118 1HG GLN 16 1HG GLN 16 -13.141 -2.365 -0.484
119 2HG GLN 16 2HG GLN 16 -13.734 -1.549 0.949
120 1HE2 GLN 16 1HE2 GLN 16 -14.101 0.772 0.829
121 2HE2 GLN 16 2HE2 GLN 16 -14.658 1.482 -0.650
122 H ALA 17 H ALA 17 -8.573 -1.494 1.381
123 HA ALA 17 HA ALA 17 -7.371 -0.099 -0.787
124 1HB ALA 17 1HB ALA 17 -5.685 0.421 0.776
125 2HB ALA 17 2HB ALA 17 -7.147 0.258 1.778
126 3HB ALA 17 3HB ALA 17 -5.962 -1.068 1.711
127 H VAL 18 H VAL 18 -6.827 -3.281 0.859
128 HA VAL 18 HA VAL 18 -4.631 -4.030 -0.680
129 HB VAL 18 HB VAL 18 -6.758 -5.700 0.675
130 1HG1 VAL 18 1HG1 VAL 18 -5.743 -7.459 -0.258
131 2HG1 VAL 18 2HG1 VAL 18 -4.444 -6.442 -0.926
132 3HG1 VAL 18 3HG1 VAL 18 -4.319 -7.068 0.736
133 1HG2 VAL 18 1HG2 VAL 18 -5.682 -4.145 2.219
134 2HG2 VAL 18 2HG2 VAL 18 -5.148 -5.811 2.546
135 3HG2 VAL 18 3HG2 VAL 18 -4.075 -4.687 1.678
136 H GLU 19 H GLU 19 -8.164 -4.233 -1.243
137 HA GLU 19 HA GLU 19 -8.084 -5.981 -3.365
138 1HB GLU 19 1HB GLU 19 -10.021 -4.439 -2.022
139 2HB GLU 19 2HB GLU 19 -10.114 -3.885 -3.682
140 1HG GLU 19 1HG GLU 19 -10.853 -5.933 -4.479
141 2HG GLU 19 2HG GLU 19 -9.914 -6.850 -3.318
142 H ALA 20 H ALA 20 -7.958 -2.353 -3.325
143 HA ALA 20 HA ALA 20 -7.799 -2.028 -6.084
144 1HB ALA 20 1HB ALA 20 -7.698 -0.443 -3.706
145 2HB ALA 20 2HB ALA 20 -6.301 0.006 -4.714
146 3HB ALA 20 3HB ALA 20 -7.948 0.099 -5.383
147 H LEU 21 H LEU 21 -5.317 -2.702 -3.578
148 HA LEU 21 HA LEU 21 -3.094 -2.235 -5.210
149 1HB LEU 21 1HB LEU 21 -3.683 -3.452 -2.604
150 2HB LEU 21 2HB LEU 21 -2.287 -4.139 -3.411
151 HG LEU 21 HG LEU 21 -2.620 -1.161 -3.010
152 1HD1 LEU 21 1HD1 LEU 21 -1.904 -3.240 -1.051
153 2HD1 LEU 21 2HD1 LEU 21 -0.750 -1.889 -1.162
154 3HD1 LEU 21 3HD1 LEU 21 -2.465 -1.568 -0.810
155 1HD2 LEU 21 1HD2 LEU 21 0.042 -2.465 -3.156
156 2HD2 LEU 21 2HD2 LEU 21 -0.917 -2.435 -4.655
157 3HD2 LEU 21 3HD2 LEU 21 -0.524 -0.913 -3.820
158 H ALA 22 H ALA 22 -4.737 -5.353 -4.312
159 HA ALA 22 HA ALA 22 -3.233 -6.971 -5.964
160 1HB ALA 22 1HB ALA 22 -5.929 -7.932 -5.869
161 2HB ALA 22 2HB ALA 22 -4.535 -8.453 -4.892
162 3HB ALA 22 3HB ALA 22 -5.579 -7.131 -4.318
163 H GLN 23 H GLN 23 -6.278 -5.135 -6.636
164 HA GLN 23 HA GLN 23 -6.689 -6.106 -9.163
165 1HB GLN 23 1HB GLN 23 -7.424 -3.567 -7.718
166 2HB GLN 23 2HB GLN 23 -7.728 -3.651 -9.442
167 1HG GLN 23 1HG GLN 23 -8.637 -6.139 -8.414
168 2HG GLN 23 2HG GLN 23 -9.173 -4.944 -7.249
169 1HE2 GLN 23 1HE2 GLN 23 -10.340 -3.072 -8.028
170 2HE2 GLN 23 2HE2 GLN 23 -11.374 -3.202 -9.412
171 H ALA 24 H ALA 24 -4.669 -3.336 -8.029
172 HA ALA 24 HA ALA 24 -3.936 -2.558 -10.664
173 1HB ALA 24 1HB ALA 24 -3.928 -1.341 -8.252
174 2HB ALA 24 2HB ALA 24 -2.229 -1.868 -8.312
175 3HB ALA 24 3HB ALA 24 -2.883 -0.823 -9.597
176 H ARG 25 H ARG 25 -3.105 -5.193 -8.622
177 HA ARG 25 HA ARG 25 -1.630 -6.765 -8.754
178 1HB ARG 25 1HB ARG 25 -1.559 -5.651 -11.533
179 2HB ARG 25 2HB ARG 25 -0.182 -6.643 -11.097
180 1HG ARG 25 1HG ARG 25 -2.611 -7.933 -10.157
181 2HG ARG 25 2HG ARG 25 -2.805 -7.516 -11.848
182 1HD ARG 25 1HD ARG 25 -0.391 -8.551 -12.137
183 2HD ARG 25 2HD ARG 25 -0.695 -9.294 -10.579
184 HE ARG 25 HE ARG 25 -2.269 -10.722 -11.579
185 1HH1 ARG 25 2HH2 ARG 25 -1.512 -8.083 -13.780
186 2HH1 ARG 25 1HH2 ARG 25 -2.364 -8.783 -15.116
187 1HH2 ARG 25 2HH1 ARG 25 -3.394 -11.646 -13.341
188 2HH2 ARG 25 1HH1 ARG 25 -3.442 -10.823 -14.864
189 H ALA 26 H ALA 26 -0.867 -4.381 -7.396
190 HA ALA 26 HA ALA 26 1.532 -3.252 -8.126
191 1HB ALA 26 1HB ALA 26 0.290 -3.850 -5.418
192 2HB ALA 26 2HB ALA 26 1.756 -2.862 -5.621
193 3HB ALA 26 3HB ALA 26 0.218 -2.332 -6.343
194 H GLY 27 H GLY 27 0.937 -6.163 -6.034
195 1HA GLY 27 1HA GLY 27 2.453 -8.052 -6.669
196 2HA GLY 27 2HA GLY 27 3.765 -6.906 -6.476
197 H ALA 28 H ALA 28 4.832 -7.771 -4.691
198 HA ALA 28 HA ALA 28 3.222 -8.373 -2.334
199 1HB ALA 28 1HB ALA 28 6.163 -8.764 -2.291
200 2HB ALA 28 2HB ALA 28 4.854 -9.870 -1.810
201 3HB ALA 28 3HB ALA 28 5.295 -9.705 -3.527
202 H PHE 29 H PHE 29 3.893 -7.505 -0.212
203 HA PHE 29 HA PHE 29 5.671 -5.259 -0.213
204 1HB PHE 29 1HB PHE 29 3.747 -3.765 0.665
205 2HB PHE 29 2HB PHE 29 3.655 -4.146 -1.043
206 HD1 PHE 29 HD1 PHE 29 1.708 -5.073 -1.916
207 HD2 PHE 29 HD2 PHE 29 2.396 -5.301 2.265
208 HE1 PHE 29 HE1 PHE 29 -0.604 -5.993 -1.586
209 HE2 PHE 29 HE2 PHE 29 0.084 -6.220 2.595
210 HZ PHE 29 HZ PHE 29 -1.388 -6.555 0.666
211 H PHE 30 H PHE 30 5.289 -4.084 2.134
212 HA PHE 30 HA PHE 30 5.139 -6.328 4.020
213 1HB PHE 30 1HB PHE 30 6.654 -3.650 3.988
214 2HB PHE 30 2HB PHE 30 6.657 -4.723 5.373
215 HD1 PHE 30 HD1 PHE 30 8.591 -3.719 2.760
216 HD2 PHE 30 HD2 PHE 30 7.196 -7.314 4.533
217 HE1 PHE 30 HE1 PHE 30 10.552 -4.955 1.798
218 HE2 PHE 30 HE2 PHE 30 9.157 -8.550 3.571
219 HZ PHE 30 HZ PHE 30 10.811 -7.356 2.215
220 H SER 31 H SER 31 3.913 -6.117 5.913
221 HA SER 31 HA SER 31 2.046 -3.921 5.818
222 1HB SER 31 1HB SER 31 2.132 -6.609 7.197
223 2HB SER 31 2HB SER 31 1.063 -5.369 7.822
224 HG SER 31 HG SER 31 -0.286 -6.111 6.324
225 H VAL 32 H VAL 32 2.053 -2.226 7.286
226 HA VAL 32 HA VAL 32 3.832 -2.523 9.605
227 HB VAL 32 HB VAL 32 3.532 -0.196 7.703
228 1HG1 VAL 32 1HG1 VAL 32 5.041 1.059 9.170
229 2HG1 VAL 32 2HG1 VAL 32 3.538 0.629 10.021
230 3HG1 VAL 32 3HG1 VAL 32 5.034 -0.281 10.342
231 1HG2 VAL 32 1HG2 VAL 32 5.967 -1.813 8.531
232 2HG2 VAL 32 2HG2 VAL 32 5.081 -1.986 6.997
233 3HG2 VAL 32 3HG2 VAL 32 5.936 -0.469 7.364
234 H PHE 33 H PHE 33 2.857 -2.127 11.533
235 HA PHE 33 HA PHE 33 0.126 -1.136 11.416
236 1HB PHE 33 1HB PHE 33 1.779 -2.168 13.789
237 2HB PHE 33 2HB PHE 33 0.031 -2.130 13.673
238 HD1 PHE 33 HD1 PHE 33 2.840 -4.182 13.429
239 HD2 PHE 33 HD2 PHE 33 -0.944 -3.530 11.623
240 HE1 PHE 33 HE1 PHE 33 2.846 -6.539 12.563
241 HE2 PHE 33 HE2 PHE 33 -0.938 -5.886 10.757
242 HZ PHE 33 HZ PHE 33 0.958 -7.362 11.238
243 H ILE 34 H ILE 34 -0.370 0.945 11.909
244 HA ILE 34 HA ILE 34 1.695 2.672 12.868
245 HB ILE 34 HB ILE 34 0.159 4.424 12.487
246 1HG1 ILE 34 1HG1 ILE 34 -2.213 2.854 11.772
247 2HG1 ILE 34 2HG1 ILE 34 -1.781 2.704 13.464
248 1HG2 ILE 34 1HG2 ILE 34 0.927 2.657 10.530
249 2HG2 ILE 34 2HG2 ILE 34 -0.826 2.797 10.254
250 3HG2 ILE 34 3HG2 ILE 34 0.194 4.256 10.259
251 1HD1 ILE 34 1HD1 ILE 34 -1.907 5.073 13.827
252 2HD1 ILE 34 2HD1 ILE 34 -1.916 5.412 12.079
253 3HD1 ILE 34 3HD1 ILE 34 -3.336 4.663 12.848
254 H ASP 35 H ASP 35 -0.680 0.595 14.293
255 HA ASP 35 HA ASP 35 -1.146 2.138 16.593
256 1HB ASP 35 1HB ASP 35 -2.407 0.035 15.567
257 2HB ASP 35 2HB ASP 35 -1.277 -0.891 16.534
258 H ASP 36 H ASP 36 1.169 2.723 17.106
259 HA ASP 36 HA ASP 36 2.197 1.323 19.166
260 1HB ASP 36 1HB ASP 36 2.861 0.052 16.654
261 2HB ASP 36 2HB ASP 36 4.332 0.738 17.314
262 H ASP 37 H ASP 37 2.773 3.210 16.180
263 HA ASP 37 HA ASP 37 4.835 4.707 17.584
264 1HB ASP 37 1HB ASP 37 4.199 4.205 14.671
265 2HB ASP 37 2HB ASP 37 5.038 5.683 15.095
266 H ALA 38 H ALA 38 3.592 6.261 18.746
267 HA ALA 38 HA ALA 38 1.210 7.366 17.997
268 1HB ALA 38 1HB ALA 38 2.749 7.541 20.158
269 2HB ALA 38 2HB ALA 38 3.263 9.062 19.391
270 3HB ALA 38 3HB ALA 38 1.547 8.800 19.785
271 H ALA 39 H ALA 39 4.538 8.221 16.981
272 HA ALA 39 HA ALA 39 3.978 10.669 15.804
273 1HB ALA 39 1HB ALA 39 5.949 8.952 14.417
274 2HB ALA 39 2HB ALA 39 6.159 10.541 15.192
275 3HB ALA 39 3HB ALA 39 6.179 9.059 16.179
276 H LEU 40 H LEU 40 3.758 7.299 14.514
277 HA LEU 40 HA LEU 40 2.967 8.177 11.930
278 1HB LEU 40 1HB LEU 40 2.789 5.482 13.283
279 2HB LEU 40 2HB LEU 40 2.456 5.779 11.588
280 HG LEU 40 HG LEU 40 5.129 6.466 12.811
281 1HD1 LEU 40 1HD1 LEU 40 5.755 4.344 12.971
282 2HD1 LEU 40 2HD1 LEU 40 4.063 3.869 12.688
283 3HD1 LEU 40 3HD1 LEU 40 5.192 3.997 11.318
284 1HD2 LEU 40 1HD2 LEU 40 5.838 6.024 10.400
285 2HD2 LEU 40 2HD2 LEU 40 4.104 6.060 10.001
286 3HD2 LEU 40 3HD2 LEU 40 4.884 7.493 10.712
287 H GLU 41 H GLU 41 1.317 7.294 14.973
288 HA GLU 41 HA GLU 41 -1.219 7.051 13.848
289 1HB GLU 41 1HB GLU 41 -0.214 7.625 16.655
290 2HB GLU 41 2HB GLU 41 -1.930 7.563 16.307
291 1HG GLU 41 1HG GLU 41 -0.438 5.277 15.158
292 2HG GLU 41 2HG GLU 41 -0.309 5.367 16.903
293 H SER 42 H SER 42 0.547 9.822 15.359
294 HA SER 42 HA SER 42 -1.646 11.564 15.078
295 1HB SER 42 1HB SER 42 0.858 11.594 16.372
296 2HB SER 42 2HB SER 42 0.978 12.879 15.187
297 HG SER 42 HG SER 42 -0.618 14.020 16.168
298 H ALA 43 H ALA 43 1.047 10.510 13.033
299 HA ALA 43 HA ALA 43 0.889 12.713 11.227
300 1HB ALA 43 1HB ALA 43 2.946 11.387 11.589
301 2HB ALA 43 2HB ALA 43 2.127 9.945 10.943
302 3HB ALA 43 3HB ALA 43 2.435 11.343 9.885
303 H TYR 44 H TYR 44 -0.439 9.369 11.422
304 HA TYR 44 HA TYR 44 -1.977 9.940 8.987
305 1HB TYR 44 1HB TYR 44 -1.117 7.452 10.576
306 2HB TYR 44 2HB TYR 44 -2.320 7.337 9.307
307 HD1 TYR 44 HD1 TYR 44 0.697 6.230 9.716
308 HD2 TYR 44 HD2 TYR 44 -1.155 9.222 7.283
309 HE1 TYR 44 HE1 TYR 44 2.541 5.974 7.984
310 HE2 TYR 44 HE2 TYR 44 0.695 8.956 5.560
311 HH TYR 44 HH TYR 44 2.472 6.542 5.184
312 H GLY 45 H GLY 45 -2.523 7.820 11.878
313 1HA GLY 45 1HA GLY 45 -4.273 7.645 13.279
314 2HA GLY 45 2HA GLY 45 -4.639 9.328 12.956
315 H LEU 46 H LEU 46 -5.782 9.816 10.801
316 HA LEU 46 HA LEU 46 -7.887 7.842 10.494
317 1HB LEU 46 1HB LEU 46 -7.580 10.748 10.112
318 2HB LEU 46 2HB LEU 46 -8.576 9.947 8.913
319 HG LEU 46 HG LEU 46 -9.916 10.845 10.745
320 1HD1 LEU 46 1HD1 LEU 46 -9.893 8.039 9.945
321 2HD1 LEU 46 2HD1 LEU 46 -10.674 8.297 11.524
322 3HD1 LEU 46 3HD1 LEU 46 -11.249 9.183 10.091
323 1HD2 LEU 46 1HD2 LEU 46 -8.897 8.850 12.708
324 2HD2 LEU 46 2HD2 LEU 46 -7.911 10.303 12.414
325 3HD2 LEU 46 3HD2 LEU 46 -9.596 10.468 12.963
326 H ARG 47 H ARG 47 -5.058 9.160 8.836
327 HA ARG 47 HA ARG 47 -5.902 7.942 6.372
328 1HB ARG 47 1HB ARG 47 -3.347 9.473 7.081
329 2HB ARG 47 2HB ARG 47 -3.777 8.946 5.466
330 1HG ARG 47 1HG ARG 47 -4.939 10.871 5.190
331 2HG ARG 47 2HG ARG 47 -6.067 10.331 6.418
332 1HD ARG 47 1HD ARG 47 -5.218 11.758 8.000
333 2HD ARG 47 2HD ARG 47 -3.557 11.398 7.571
334 HE ARG 47 HE ARG 47 -4.411 12.895 5.419
335 1HH1 ARG 47 2HH2 ARG 47 -4.522 13.413 8.898
336 2HH1 ARG 47 1HH2 ARG 47 -4.440 15.138 8.772
337 1HH2 ARG 47 2HH1 ARG 47 -4.302 15.171 5.253
338 2HH2 ARG 47 1HH1 ARG 47 -4.314 16.145 6.685
339 H VAL 48 H VAL 48 -5.526 6.113 8.550
340 HA VAL 48 HA VAL 48 -3.015 5.031 8.818
341 HB VAL 48 HB VAL 48 -5.808 4.195 9.206
342 1HG1 VAL 48 1HG1 VAL 48 -4.858 1.798 9.768
343 2HG1 VAL 48 2HG1 VAL 48 -5.409 2.198 8.123
344 3HG1 VAL 48 3HG1 VAL 48 -3.671 2.207 8.506
345 1HG2 VAL 48 1HG2 VAL 48 -5.083 4.667 11.268
346 2HG2 VAL 48 2HG2 VAL 48 -4.167 3.141 11.211
347 3HG2 VAL 48 3HG2 VAL 48 -3.382 4.669 10.744
348 HA PRO 49 HA PRO 49 -3.954 2.477 4.945
349 1HB PRO 49 1HB PRO 49 -6.068 3.147 3.349
350 2HB PRO 49 2HB PRO 49 -6.151 1.896 4.573
351 1HG PRO 49 1HG PRO 49 -7.279 4.627 4.636
352 2HG PRO 49 2HG PRO 49 -7.696 3.244 5.628
353 1HD PRO 49 1HD PRO 49 -6.095 5.493 6.405
354 2HD PRO 49 2HD PRO 49 -6.416 4.057 7.356
355 H VAL 50 H VAL 50 -1.999 3.879 4.829
356 HA VAL 50 HA VAL 50 -2.325 5.628 2.488
357 HB VAL 50 HB VAL 50 -0.733 5.882 5.014
358 1HG1 VAL 50 1HG1 VAL 50 0.910 6.022 3.168
359 2HG1 VAL 50 2HG1 VAL 50 -0.061 7.312 2.420
360 3HG1 VAL 50 3HG1 VAL 50 0.699 7.577 4.007
361 1HG2 VAL 50 1HG2 VAL 50 -3.044 6.995 4.394
362 2HG2 VAL 50 2HG2 VAL 50 -1.789 7.919 5.255
363 3HG2 VAL 50 3HG2 VAL 50 -2.011 8.138 3.502
364 H LEU 51 H LEU 51 -1.222 5.044 0.682
365 HA LEU 51 HA LEU 51 0.609 2.793 0.960
366 1HB LEU 51 1HB LEU 51 -1.432 3.439 -0.842
367 2HB LEU 51 2HB LEU 51 0.053 3.668 -1.745
368 HG LEU 51 HG LEU 51 -0.813 1.139 -0.318
369 1HD1 LEU 51 1HD1 LEU 51 -1.890 1.898 -2.562
370 2HD1 LEU 51 2HD1 LEU 51 -0.335 1.401 -3.273
371 3HD1 LEU 51 3HD1 LEU 51 -1.324 0.221 -2.379
372 1HD2 LEU 51 1HD2 LEU 51 1.194 0.116 -1.400
373 2HD2 LEU 51 2HD2 LEU 51 1.740 1.756 -1.824
374 3HD2 LEU 51 3HD2 LEU 51 1.567 1.290 -0.115
375 H ARG 52 H ARG 52 2.757 3.137 1.053
376 HA ARG 52 HA ARG 52 3.681 5.642 -0.108
377 1HB ARG 52 1HB ARG 52 5.535 5.571 1.547
378 2HB ARG 52 2HB ARG 52 3.982 5.533 2.358
379 1HG ARG 52 1HG ARG 52 4.264 3.369 3.110
380 2HG ARG 52 2HG ARG 52 5.085 2.852 1.650
381 1HD ARG 52 1HD ARG 52 6.627 4.833 3.244
382 2HD ARG 52 2HD ARG 52 6.323 3.331 4.094
383 HE ARG 52 HE ARG 52 7.159 2.444 1.625
384 1HH1 ARG 52 2HH2 ARG 52 8.506 4.741 3.925
385 2HH1 ARG 52 1HH2 ARG 52 10.148 4.439 3.460
386 1HH2 ARG 52 2HH1 ARG 52 9.324 2.045 1.011
387 2HH2 ARG 52 1HH1 ARG 52 10.616 2.895 1.791
388 H ASP 53 H ASP 53 6.078 5.517 -0.868
389 HA ASP 53 HA ASP 53 6.591 2.838 -1.897
390 1HB ASP 53 1HB ASP 53 6.280 5.414 -3.296
391 2HB ASP 53 2HB ASP 53 7.819 4.661 -3.666
392 HA PRO 54 HA PRO 54 10.700 3.567 -0.534
393 1HB PRO 54 1HB PRO 54 12.304 2.471 -2.456
394 2HB PRO 54 2HB PRO 54 11.461 1.516 -1.253
395 1HG PRO 54 1HG PRO 54 10.828 1.863 -4.120
396 2HG PRO 54 2HG PRO 54 10.280 0.615 -3.018
397 1HD PRO 54 1HD PRO 54 8.771 2.872 -3.941
398 2HD PRO 54 2HD PRO 54 8.265 1.689 -2.751
399 H MET 55 H MET 55 9.973 4.786 -3.679
400 HA MET 55 HA MET 55 12.277 6.265 -4.032
401 1HB MET 55 1HB MET 55 9.590 6.026 -5.180
402 2HB MET 55 2HB MET 55 10.050 7.716 -5.125
403 1HG MET 55 1HG MET 55 12.384 6.640 -6.076
404 2HG MET 55 2HG MET 55 11.243 5.474 -6.716
405 1HE MET 55 1HE MET 55 11.421 9.967 -7.674
406 2HE MET 55 2HE MET 55 11.176 9.367 -6.016
407 3HE MET 55 3HE MET 55 12.689 9.004 -6.880
408 H GLY 56 H GLY 56 9.224 6.988 -2.272
409 1HA GLY 56 1HA GLY 56 9.608 8.383 -0.268
410 2HA GLY 56 2HA GLY 56 10.474 9.493 -1.311
411 H ARG 57 H ARG 57 7.446 7.657 -2.048
412 HA ARG 57 HA ARG 57 6.019 10.171 -1.925
413 1HB ARG 57 1HB ARG 57 5.790 8.253 -4.296
414 2HB ARG 57 2HB ARG 57 4.984 9.800 -4.129
415 1HG ARG 57 1HG ARG 57 7.629 10.535 -3.768
416 2HG ARG 57 2HG ARG 57 7.799 9.206 -4.897
417 1HD ARG 57 1HD ARG 57 5.651 10.604 -5.987
418 2HD ARG 57 2HD ARG 57 6.623 11.901 -5.323
419 HE ARG 57 HE ARG 57 8.507 10.367 -6.621
420 1HH1 ARG 57 2HH2 ARG 57 5.422 11.729 -7.627
421 2HH1 ARG 57 1HH2 ARG 57 5.890 11.890 -9.287
422 1HH2 ARG 57 2HH1 ARG 57 9.124 10.580 -8.811
423 2HH2 ARG 57 1HH1 ARG 57 8.009 11.232 -9.965
424 H GLU 58 H GLU 58 3.576 9.809 -1.945
425 HA GLU 58 HA GLU 58 2.876 7.081 -1.254
426 1HB GLU 58 1HB GLU 58 1.403 8.141 0.628
427 2HB GLU 58 2HB GLU 58 3.111 7.896 0.934
428 1HG GLU 58 1HG GLU 58 2.674 10.129 1.663
429 2HG GLU 58 2HG GLU 58 3.486 10.312 0.121
430 H LEU 59 H LEU 59 0.361 6.866 -1.122
431 HA LEU 59 HA LEU 59 -0.845 8.747 -3.026
432 1HB LEU 59 1HB LEU 59 -0.193 6.592 -4.078
433 2HB LEU 59 2HB LEU 59 -1.252 5.755 -2.961
434 HG LEU 59 HG LEU 59 -3.172 7.102 -3.890
435 1HD1 LEU 59 1HD1 LEU 59 -2.544 8.938 -5.023
436 2HD1 LEU 59 2HD1 LEU 59 -0.963 8.253 -5.472
437 3HD1 LEU 59 3HD1 LEU 59 -2.417 7.817 -6.401
438 1HD2 LEU 59 1HD2 LEU 59 -1.719 4.894 -5.112
439 2HD2 LEU 59 2HD2 LEU 59 -3.465 5.116 -4.851
440 3HD2 LEU 59 3HD2 LEU 59 -2.687 5.806 -6.296
441 H ASP 60 H ASP 60 -3.071 9.228 -2.688
442 HA ASP 60 HA ASP 60 -3.806 9.439 -0.079
443 1HB ASP 60 1HB ASP 60 -4.904 10.042 -2.652
444 2HB ASP 60 2HB ASP 60 -6.161 9.189 -1.778
445 H TRP 61 H TRP 61 -5.708 8.353 1.063
446 HA TRP 61 HA TRP 61 -5.456 5.563 1.004
447 1HB TRP 61 1HB TRP 61 -6.183 6.046 3.043
448 2HB TRP 61 2HB TRP 61 -6.863 7.582 2.543
449 HD1 TRP 61 HD1 TRP 61 -9.346 7.539 3.362
450 HE1 TRP 61 HE1 TRP 61 -11.431 5.924 3.264
451 HE3 TRP 61 HE3 TRP 61 -6.894 3.651 1.187
452 HZ2 TRP 61 HZ2 TRP 61 -11.812 3.262 2.309
453 HZ3 TRP 61 HZ3 TRP 61 -8.196 1.581 0.705
454 HH2 TRP 61 HH2 TRP 61 -10.572 1.349 1.230
455 HA PRO 62 HA PRO 62 -9.571 5.766 -1.339
456 1HB PRO 62 1HB PRO 62 -10.592 8.169 -2.146
457 2HB PRO 62 2HB PRO 62 -11.075 7.372 -0.662
458 1HG PRO 62 1HG PRO 62 -9.309 9.716 -1.016
459 2HG PRO 62 2HG PRO 62 -10.135 9.173 0.431
460 1HD PRO 62 1HD PRO 62 -7.350 8.853 -0.178
461 2HD PRO 62 2HD PRO 62 -8.200 8.210 1.213
462 H PHE 63 H PHE 63 -9.087 4.739 -3.165
463 HA PHE 63 HA PHE 63 -8.360 6.417 -5.386
464 1HB PHE 63 1HB PHE 63 -6.375 4.599 -5.684
465 2HB PHE 63 2HB PHE 63 -6.112 6.052 -4.740
466 HD1 PHE 63 HD1 PHE 63 -4.529 5.332 -3.172
467 HD2 PHE 63 HD2 PHE 63 -8.065 3.056 -3.739
468 HE1 PHE 63 HE1 PHE 63 -3.946 3.929 -1.174
469 HE2 PHE 63 HE2 PHE 63 -7.482 1.653 -1.741
470 HZ PHE 63 HZ PHE 63 -5.430 2.106 -0.483
471 H ASP 64 H ASP 64 -7.824 4.778 -7.365
472 HA ASP 64 HA ASP 64 -9.895 2.737 -7.162
473 1HB ASP 64 1HB ASP 64 -8.859 4.030 -9.720
474 2HB ASP 64 2HB ASP 64 -10.299 3.047 -9.540
475 H ALA 65 H ALA 65 -9.322 1.249 -9.473
476 HA ALA 65 HA ALA 65 -6.917 -0.094 -8.686
477 1HB ALA 65 1HB ALA 65 -8.291 -1.733 -9.412
478 2HB ALA 65 2HB ALA 65 -9.306 -0.591 -10.325
479 3HB ALA 65 3HB ALA 65 -7.817 -1.238 -11.055
480 HA PRO 66 HA PRO 66 -5.608 1.637 -12.895
481 1HB PRO 66 1HB PRO 66 -7.136 3.540 -14.125
482 2HB PRO 66 2HB PRO 66 -7.240 1.833 -14.506
483 1HG PRO 66 1HG PRO 66 -9.115 3.502 -12.944
484 2HG PRO 66 2HG PRO 66 -9.394 1.940 -13.688
485 1HD PRO 66 1HD PRO 66 -8.949 2.459 -10.902
486 2HD PRO 66 2HD PRO 66 -9.113 0.889 -11.662
487 H ARG 67 H ARG 67 -6.974 3.628 -10.486
488 HA ARG 67 HA ARG 67 -5.278 5.816 -11.153
489 1HB ARG 67 1HB ARG 67 -7.659 5.585 -9.772
490 2HB ARG 67 2HB ARG 67 -6.529 5.702 -8.438
491 1HG ARG 67 1HG ARG 67 -5.899 7.879 -8.966
492 2HG ARG 67 2HG ARG 67 -6.134 7.650 -10.687
493 1HD ARG 67 1HD ARG 67 -8.722 7.335 -9.575
494 2HD ARG 67 2HD ARG 67 -8.021 8.669 -8.680
495 HE ARG 67 HE ARG 67 -7.414 9.121 -11.411
496 1HH1 ARG 67 2HH2 ARG 67 -10.269 8.915 -9.364
497 2HH1 ARG 67 1HH2 ARG 67 -11.207 9.991 -10.346
498 1HH2 ARG 67 2HH1 ARG 67 -8.651 10.540 -12.707
499 2HH2 ARG 67 1HH1 ARG 67 -10.281 10.921 -12.260
500 H LEU 68 H LEU 68 -5.305 2.997 -8.981
501 HA LEU 68 HA LEU 68 -3.138 3.971 -7.372
502 1HB LEU 68 1HB LEU 68 -4.976 2.508 -6.549
503 2HB LEU 68 2HB LEU 68 -4.350 1.210 -7.546
504 HG LEU 68 HG LEU 68 -2.164 2.136 -6.001
505 1HD1 LEU 68 1HD1 LEU 68 -4.724 2.393 -4.580
506 2HD1 LEU 68 2HD1 LEU 68 -3.515 1.391 -3.742
507 3HD1 LEU 68 3HD1 LEU 68 -3.119 3.064 -4.201
508 1HD2 LEU 68 1HD2 LEU 68 -3.878 -0.348 -5.977
509 2HD2 LEU 68 2HD2 LEU 68 -2.260 -0.111 -6.679
510 3HD2 LEU 68 3HD2 LEU 68 -2.466 -0.152 -4.912
511 H ARG 69 H ARG 69 -3.626 1.736 -10.145
512 HA ARG 69 HA ARG 69 -1.024 0.763 -10.116
513 1HB ARG 69 1HB ARG 69 -3.205 -0.034 -11.404
514 2HB ARG 69 2HB ARG 69 -2.651 1.048 -12.666
515 1HG ARG 69 1HG ARG 69 -0.486 -0.674 -11.623
516 2HG ARG 69 2HG ARG 69 -1.817 -1.601 -12.286
517 1HD ARG 69 1HD ARG 69 -1.269 0.627 -14.064
518 2HD ARG 69 2HD ARG 69 0.239 -0.195 -13.719
519 HE ARG 69 HE ARG 69 -0.547 -2.110 -14.845
520 1HH1 ARG 69 2HH2 ARG 69 -3.187 0.162 -14.348
521 2HH1 ARG 69 1HH2 ARG 69 -4.283 -0.687 -15.387
522 1HH2 ARG 69 2HH1 ARG 69 -1.992 -3.231 -16.216
523 2HH2 ARG 69 1HH1 ARG 69 -3.598 -2.630 -16.457
524 H ALA 70 H ALA 70 -2.643 3.468 -11.896
525 HA ALA 70 HA ALA 70 -0.547 4.183 -13.543
526 1HB ALA 70 1HB ALA 70 -2.985 5.461 -12.403
527 2HB ALA 70 2HB ALA 70 -1.743 6.566 -13.040
528 3HB ALA 70 3HB ALA 70 -2.452 5.320 -14.095
529 H TRP 71 H TRP 71 -1.081 4.719 -10.065
530 HA TRP 71 HA TRP 71 0.960 6.701 -9.838
531 1HB TRP 71 1HB TRP 71 -0.904 6.661 -8.302
532 2HB TRP 71 2HB TRP 71 -0.506 5.033 -7.788
533 HD1 TRP 71 HD1 TRP 71 0.999 8.618 -7.566
534 HE1 TRP 71 HE1 TRP 71 2.531 8.855 -5.431
535 HE3 TRP 71 HE3 TRP 71 0.704 3.738 -6.166
536 HZ2 TRP 71 HZ2 TRP 71 3.428 7.017 -3.441
537 HZ3 TRP 71 HZ3 TRP 71 1.938 3.042 -4.115
538 HH2 TRP 71 HH2 TRP 71 3.265 4.592 -2.769
539 H LEU 72 H LEU 72 0.635 3.136 -9.437
540 HA LEU 72 HA LEU 72 3.038 2.596 -8.232
541 1HB LEU 72 1HB LEU 72 1.140 1.139 -9.980
542 2HB LEU 72 2HB LEU 72 2.748 0.456 -9.836
543 HG LEU 72 HG LEU 72 1.037 -0.461 -8.246
544 1HD1 LEU 72 1HD1 LEU 72 2.571 -0.804 -6.531
545 2HD1 LEU 72 2HD1 LEU 72 3.600 -0.410 -7.929
546 3HD1 LEU 72 3HD1 LEU 72 3.270 0.825 -6.691
547 1HD2 LEU 72 1HD2 LEU 72 -0.307 1.007 -7.245
548 2HD2 LEU 72 2HD2 LEU 72 1.055 1.346 -6.151
549 3HD2 LEU 72 3HD2 LEU 72 0.786 2.370 -7.582
550 H ASP 73 H ASP 73 2.322 2.819 -11.785
551 HA ASP 73 HA ASP 73 4.885 2.331 -12.610
552 1HB ASP 73 1HB ASP 73 2.503 3.785 -13.743
553 2HB ASP 73 2HB ASP 73 4.035 4.004 -14.564
554 H ALA 74 H ALA 74 3.213 5.341 -11.553
555 HA ALA 74 HA ALA 74 4.953 7.264 -12.393
556 1HB ALA 74 1HB ALA 74 4.111 7.823 -9.690
557 2HB ALA 74 2HB ALA 74 3.486 8.491 -11.217
558 3HB ALA 74 3HB ALA 74 2.796 6.990 -10.554
559 H ALA 75 H ALA 75 5.450 4.712 -10.026
560 HA ALA 75 HA ALA 75 8.062 5.913 -9.409
561 1HB ALA 75 1HB ALA 75 5.992 5.502 -7.615
562 2HB ALA 75 2HB ALA 75 6.972 4.028 -7.424
563 3HB ALA 75 3HB ALA 75 7.716 5.628 -7.191
564 HA PRO 76 HA PRO 76 9.725 2.146 -10.728
565 1HB PRO 76 1HB PRO 76 11.925 1.819 -9.139
566 2HB PRO 76 2HB PRO 76 11.889 2.904 -10.514
567 1HG PRO 76 1HG PRO 76 11.777 3.559 -7.634
568 2HG PRO 76 2HG PRO 76 12.167 4.606 -8.984
569 1HD PRO 76 1HD PRO 76 9.692 4.520 -7.537
570 2HD PRO 76 2HD PRO 76 10.042 5.483 -8.959
571 H HIS 77 H HIS 77 10.496 -0.133 -10.171
572 HA HIS 77 HA HIS 77 9.887 -1.160 -7.680
573 1HB HIS 77 1HB HIS 77 7.545 -0.403 -8.718
574 2HB HIS 77 2HB HIS 77 7.666 -1.961 -9.511
575 HD1 HIS 77 HD1 HIS 77 6.034 -3.375 -8.220
576 HD2 HIS 77 HD2 HIS 77 8.618 -1.220 -5.714
577 HE1 HIS 77 HE1 HIS 77 5.566 -4.182 -5.845
578 H ALA 78 H ALA 78 10.216 -3.491 -7.616
579 HA ALA 78 HA ALA 78 10.742 -4.824 -10.114
580 1HB ALA 78 1HB ALA 78 13.025 -4.927 -10.019
581 2HB ALA 78 2HB ALA 78 12.828 -3.382 -9.157
582 3HB ALA 78 3HB ALA 78 13.060 -4.890 -8.240
Start of MODEL 9
1 1H MET 1 1H MET 1 14.251 -3.173 -4.420
2 HA MET 1 HA MET 1 13.016 -2.562 -2.250
3 1HB MET 1 1HB MET 1 12.491 -1.454 -5.050
4 2HB MET 1 2HB MET 1 11.795 -0.684 -3.639
5 1HG MET 1 1HG MET 1 13.747 0.443 -3.362
6 2HG MET 1 2HG MET 1 14.519 -1.077 -2.958
7 1HE MET 1 1HE MET 1 16.803 0.916 -5.522
8 2HE MET 1 2HE MET 1 15.971 1.228 -3.979
9 3HE MET 1 3HE MET 1 17.001 -0.212 -4.160
10 H ALA 2 H ALA 2 10.947 -2.443 -1.276
11 HA ALA 2 HA ALA 2 8.796 -3.746 -2.797
12 1HB ALA 2 1HB ALA 2 8.115 -4.656 -0.482
13 2HB ALA 2 2HB ALA 2 9.524 -5.408 -1.269
14 3HB ALA 2 3HB ALA 2 9.761 -4.223 0.038
15 H LEU 3 H LEU 3 6.581 -3.232 -1.746
16 HA LEU 3 HA LEU 3 6.556 -0.367 -1.288
17 1HB LEU 3 1HB LEU 3 4.499 -2.425 -2.035
18 2HB LEU 3 2HB LEU 3 4.017 -0.843 -1.454
19 HG LEU 3 HG LEU 3 5.974 -1.005 -3.719
20 1HD1 LEU 3 1HD1 LEU 3 4.560 -1.791 -5.259
21 2HD1 LEU 3 2HD1 LEU 3 3.645 -2.454 -3.884
22 3HD1 LEU 3 3HD1 LEU 3 3.178 -0.889 -4.592
23 1HD2 LEU 3 1HD2 LEU 3 5.371 1.144 -4.155
24 2HD2 LEU 3 2HD2 LEU 3 3.695 0.910 -3.604
25 3HD2 LEU 3 3HD2 LEU 3 5.004 1.105 -2.414
26 H THR 4 H THR 4 4.456 0.154 0.300
27 HA THR 4 HA THR 4 4.461 -1.532 2.630
28 HB THR 4 HB THR 4 5.768 1.240 2.675
29 HG1 THR 4 HG1 THR 4 6.582 -1.546 3.115
30 1HG2 THR 4 1HG2 THR 4 4.965 1.149 4.862
31 2HG2 THR 4 2HG2 THR 4 4.750 -0.617 4.812
32 3HG2 THR 4 3HG2 THR 4 6.371 0.076 5.064
33 H LEU 5 H LEU 5 2.379 -1.633 3.160
34 HA LEU 5 HA LEU 5 0.802 0.808 2.739
35 1HB LEU 5 1HB LEU 5 -0.085 -0.782 1.315
36 2HB LEU 5 2HB LEU 5 0.188 -2.104 2.433
37 HG LEU 5 HG LEU 5 -1.601 -0.779 3.896
38 1HD1 LEU 5 1HD1 LEU 5 -2.245 1.073 2.770
39 2HD1 LEU 5 2HD1 LEU 5 -1.844 0.387 1.177
40 3HD1 LEU 5 3HD1 LEU 5 -3.359 -0.075 1.989
41 1HD2 LEU 5 1HD2 LEU 5 -3.237 -2.320 3.181
42 2HD2 LEU 5 2HD2 LEU 5 -2.543 -2.426 1.545
43 3HD2 LEU 5 3HD2 LEU 5 -1.672 -3.128 2.930
44 H TYR 6 H TYR 6 0.608 1.917 4.613
45 HA TYR 6 HA TYR 6 0.935 0.669 7.131
46 1HB TYR 6 1HB TYR 6 -0.290 3.334 6.180
47 2HB TYR 6 2HB TYR 6 0.155 3.012 7.844
48 HD1 TYR 6 HD1 TYR 6 2.683 2.305 8.223
49 HD2 TYR 6 HD2 TYR 6 1.240 4.404 4.786
50 HE1 TYR 6 HE1 TYR 6 5.029 3.165 7.754
51 HE2 TYR 6 HE2 TYR 6 3.591 5.257 4.329
52 HH TYR 6 HH TYR 6 6.295 4.304 6.432
53 H GLN 7 H GLN 7 -0.525 -0.290 8.472
54 HA GLN 7 HA GLN 7 -3.211 0.497 8.508
55 1HB GLN 7 1HB GLN 7 -4.292 -1.498 7.626
56 2HB GLN 7 2HB GLN 7 -3.241 -0.838 6.389
57 1HG GLN 7 1HG GLN 7 -1.440 -2.497 7.442
58 2HG GLN 7 2HG GLN 7 -2.851 -3.320 8.077
59 1HE2 GLN 7 1HE2 GLN 7 -0.880 -4.137 6.072
60 2HE2 GLN 7 2HE2 GLN 7 -1.751 -4.538 4.630
61 H ARG 8 H ARG 8 -4.410 -0.598 10.251
62 HA ARG 8 HA ARG 8 -2.624 -2.191 11.910
63 1HB ARG 8 1HB ARG 8 -2.887 0.069 12.884
64 2HB ARG 8 2HB ARG 8 -4.633 -0.053 12.782
65 1HG ARG 8 1HG ARG 8 -4.249 -2.262 14.245
66 2HG ARG 8 2HG ARG 8 -2.738 -1.476 14.660
67 1HD ARG 8 1HD ARG 8 -4.021 -0.496 16.305
68 2HD ARG 8 2HD ARG 8 -4.422 0.635 15.029
69 HE ARG 8 HE ARG 8 -6.599 -0.210 15.013
70 1HH1 ARG 8 2HH2 ARG 8 -4.475 -2.580 16.515
71 2HH1 ARG 8 1HH2 ARG 8 -5.768 -3.639 16.971
72 1HH2 ARG 8 2HH1 ARG 8 -8.305 -1.607 15.614
73 2HH2 ARG 8 1HH1 ARG 8 -7.961 -3.082 16.454
74 H ASP 9 H ASP 9 -3.444 -4.242 12.181
75 HA ASP 9 HA ASP 9 -4.837 -5.877 12.498
76 1HB ASP 9 1HB ASP 9 -6.122 -3.730 13.797
77 2HB ASP 9 2HB ASP 9 -7.379 -4.408 12.781
78 H ASP 10 H ASP 10 -7.117 -6.798 11.556
79 HA ASP 10 HA ASP 10 -7.098 -6.018 8.783
80 1HB ASP 10 1HB ASP 10 -7.063 -8.460 9.805
81 2HB ASP 10 2HB ASP 10 -8.791 -8.230 9.986
82 H CYS 11 H CYS 11 -8.770 -4.762 7.915
83 HA CYS 11 HA CYS 11 -11.319 -4.770 9.324
84 1HB CYS 11 1HB CYS 11 -9.546 -2.675 9.658
85 2HB CYS 11 2HB CYS 11 -10.559 -2.101 8.349
86 HG CYS 11 HG CYS 11 -12.217 -1.291 9.835
87 H HIS 12 H HIS 12 -12.956 -3.427 7.801
88 HA HIS 12 HA HIS 12 -12.808 -4.720 5.274
89 1HB HIS 12 1HB HIS 12 -14.773 -2.872 6.617
90 2HB HIS 12 2HB HIS 12 -14.950 -3.290 4.924
91 HD1 HIS 12 HD1 HIS 12 -17.247 -4.443 5.758
92 HD2 HIS 12 HD2 HIS 12 -13.692 -6.268 7.032
93 HE1 HIS 12 HE1 HIS 12 -17.891 -6.777 6.565
94 H LEU 13 H LEU 13 -12.793 -1.260 6.382
95 HA LEU 13 HA LEU 13 -12.501 -0.077 3.935
96 1HB LEU 13 1HB LEU 13 -12.938 1.112 6.001
97 2HB LEU 13 2HB LEU 13 -11.342 0.717 6.608
98 HG LEU 13 HG LEU 13 -11.108 2.054 4.057
99 1HD1 LEU 13 1HD1 LEU 13 -12.079 4.179 4.511
100 2HD1 LEU 13 2HD1 LEU 13 -13.353 2.957 4.741
101 3HD1 LEU 13 3HD1 LEU 13 -12.554 3.686 6.154
102 1HD2 LEU 13 1HD2 LEU 13 -9.206 2.331 5.217
103 2HD2 LEU 13 2HD2 LEU 13 -10.040 3.747 5.899
104 3HD2 LEU 13 3HD2 LEU 13 -10.022 2.209 6.794
105 H CYS 14 H CYS 14 -10.024 -1.648 6.013
106 HA CYS 14 HA CYS 14 -7.860 -0.837 4.400
107 1HB CYS 14 1HB CYS 14 -8.204 -2.928 6.552
108 2HB CYS 14 2HB CYS 14 -6.708 -2.800 5.647
109 HG CYS 14 HG CYS 14 -7.781 0.089 6.371
110 H ASP 15 H ASP 15 -10.061 -3.683 4.562
111 HA ASP 15 HA ASP 15 -8.704 -5.339 2.867
112 1HB ASP 15 1HB ASP 15 -10.871 -5.727 4.248
113 2HB ASP 15 2HB ASP 15 -11.735 -5.028 2.892
114 H GLN 16 H GLN 16 -10.936 -2.583 2.259
115 HA GLN 16 HA GLN 16 -11.310 -3.056 -0.453
116 1HB GLN 16 1HB GLN 16 -11.776 -0.830 1.463
117 2HB GLN 16 2HB GLN 16 -11.581 -0.321 -0.203
118 1HG GLN 16 1HG GLN 16 -13.266 -2.353 -0.678
119 2HG GLN 16 2HG GLN 16 -13.700 -2.105 1.002
120 1HE2 GLN 16 1HE2 GLN 16 -14.144 0.169 1.659
121 2HE2 GLN 16 2HE2 GLN 16 -15.038 1.180 0.575
122 H ALA 17 H ALA 17 -8.715 -1.488 1.412
123 HA ALA 17 HA ALA 17 -7.537 -0.158 -0.794
124 1HB ALA 17 1HB ALA 17 -7.240 -0.251 1.999
125 2HB ALA 17 2HB ALA 17 -5.702 -0.875 1.356
126 3HB ALA 17 3HB ALA 17 -6.290 0.729 0.856
127 H VAL 18 H VAL 18 -6.861 -3.273 0.940
128 HA VAL 18 HA VAL 18 -4.696 -4.020 -0.630
129 HB VAL 18 HB VAL 18 -6.761 -5.697 0.811
130 1HG1 VAL 18 1HG1 VAL 18 -4.551 -7.203 0.935
131 2HG1 VAL 18 2HG1 VAL 18 -5.723 -7.333 -0.398
132 3HG1 VAL 18 3HG1 VAL 18 -4.231 -6.387 -0.614
133 1HG2 VAL 18 1HG2 VAL 18 -5.154 -5.716 2.662
134 2HG2 VAL 18 2HG2 VAL 18 -4.058 -4.663 1.736
135 3HG2 VAL 18 3HG2 VAL 18 -5.645 -4.052 2.262
136 H GLU 19 H GLU 19 -8.225 -4.257 -1.148
137 HA GLU 19 HA GLU 19 -8.163 -6.083 -3.209
138 1HB GLU 19 1HB GLU 19 -10.099 -4.581 -1.877
139 2HB GLU 19 2HB GLU 19 -10.191 -3.955 -3.511
140 1HG GLU 19 1HG GLU 19 -9.961 -6.897 -3.462
141 2HG GLU 19 2HG GLU 19 -11.365 -6.331 -2.578
142 H ALA 20 H ALA 20 -8.027 -2.458 -3.280
143 HA ALA 20 HA ALA 20 -7.931 -2.192 -6.041
144 1HB ALA 20 1HB ALA 20 -6.417 -0.351 -4.196
145 2HB ALA 20 2HB ALA 20 -7.451 0.042 -5.591
146 3HB ALA 20 3HB ALA 20 -8.187 -0.474 -4.054
147 H LEU 21 H LEU 21 -5.364 -2.820 -3.600
148 HA LEU 21 HA LEU 21 -3.190 -2.450 -5.297
149 1HB LEU 21 1HB LEU 21 -3.738 -3.634 -2.672
150 2HB LEU 21 2HB LEU 21 -2.396 -4.385 -3.513
151 HG LEU 21 HG LEU 21 -2.598 -1.393 -3.119
152 1HD1 LEU 21 1HD1 LEU 21 -0.783 -1.963 -1.301
153 2HD1 LEU 21 2HD1 LEU 21 -2.520 -2.004 -0.911
154 3HD1 LEU 21 3HD1 LEU 21 -1.645 -3.519 -1.240
155 1HD2 LEU 21 1HD2 LEU 21 -0.062 -2.961 -3.472
156 2HD2 LEU 21 2HD2 LEU 21 -1.060 -2.541 -4.884
157 3HD2 LEU 21 3HD2 LEU 21 -0.408 -1.255 -3.841
158 H ALA 22 H ALA 22 -4.904 -5.519 -4.365
159 HA ALA 22 HA ALA 22 -3.480 -7.185 -6.040
160 1HB ALA 22 1HB ALA 22 -6.362 -7.788 -5.742
161 2HB ALA 22 2HB ALA 22 -4.937 -8.739 -5.257
162 3HB ALA 22 3HB ALA 22 -5.524 -7.420 -4.215
163 H GLN 23 H GLN 23 -6.410 -5.172 -6.672
164 HA GLN 23 HA GLN 23 -6.957 -6.145 -9.174
165 1HB GLN 23 1HB GLN 23 -7.463 -3.541 -7.747
166 2HB GLN 23 2HB GLN 23 -7.806 -3.614 -9.464
167 1HG GLN 23 1HG GLN 23 -8.892 -6.013 -8.417
168 2HG GLN 23 2HG GLN 23 -9.293 -4.792 -7.227
169 1HE2 GLN 23 1HE2 GLN 23 -11.392 -4.498 -7.590
170 2HE2 GLN 23 2HE2 GLN 23 -12.102 -3.945 -9.070
171 H ALA 24 H ALA 24 -4.805 -3.402 -8.177
172 HA ALA 24 HA ALA 24 -4.043 -2.791 -10.836
173 1HB ALA 24 1HB ALA 24 -3.720 -0.988 -9.449
174 2HB ALA 24 2HB ALA 24 -3.274 -2.001 -8.055
175 3HB ALA 24 3HB ALA 24 -2.089 -1.693 -9.347
176 H ARG 25 H ARG 25 -3.316 -5.385 -8.697
177 HA ARG 25 HA ARG 25 -1.953 -7.057 -8.824
178 1HB ARG 25 1HB ARG 25 -1.787 -5.982 -11.614
179 2HB ARG 25 2HB ARG 25 -0.473 -7.045 -11.150
180 1HG ARG 25 1HG ARG 25 -2.947 -8.214 -10.211
181 2HG ARG 25 2HG ARG 25 -3.164 -7.759 -11.890
182 1HD ARG 25 1HD ARG 25 -0.607 -8.902 -11.894
183 2HD ARG 25 2HD ARG 25 -1.465 -9.888 -10.727
184 HE ARG 25 HE ARG 25 -2.778 -10.763 -12.458
185 1HH1 ARG 25 2HH2 ARG 25 -1.198 -7.824 -13.578
186 2HH1 ARG 25 1HH2 ARG 25 -1.706 -8.026 -15.221
187 1HH2 ARG 25 2HH1 ARG 25 -3.447 -11.029 -14.627
188 2HH2 ARG 25 1HH1 ARG 25 -2.994 -9.861 -15.822
189 H ALA 26 H ALA 26 -1.076 -4.673 -7.507
190 HA ALA 26 HA ALA 26 1.350 -3.644 -8.178
191 1HB ALA 26 1HB ALA 26 -0.163 -4.146 -5.653
192 2HB ALA 26 2HB ALA 26 1.564 -3.751 -5.483
193 3HB ALA 26 3HB ALA 26 0.473 -2.624 -6.324
194 H GLY 27 H GLY 27 0.848 -6.479 -5.946
195 1HA GLY 27 1HA GLY 27 2.223 -8.460 -6.736
196 2HA GLY 27 2HA GLY 27 3.580 -7.355 -6.644
197 H ALA 28 H ALA 28 4.764 -8.113 -4.908
198 HA ALA 28 HA ALA 28 3.304 -8.722 -2.452
199 1HB ALA 28 1HB ALA 28 5.204 -10.145 -3.714
200 2HB ALA 28 2HB ALA 28 6.260 -9.110 -2.723
201 3HB ALA 28 3HB ALA 28 5.038 -10.143 -1.942
202 H PHE 29 H PHE 29 4.065 -7.815 -0.393
203 HA PHE 29 HA PHE 29 5.894 -5.626 -0.471
204 1HB PHE 29 1HB PHE 29 4.068 -4.002 0.319
205 2HB PHE 29 2HB PHE 29 3.889 -4.494 -1.353
206 HD1 PHE 29 HD1 PHE 29 1.802 -5.169 -2.062
207 HD2 PHE 29 HD2 PHE 29 2.774 -5.563 2.049
208 HE1 PHE 29 HE1 PHE 29 -0.537 -5.945 -1.584
209 HE2 PHE 29 HE2 PHE 29 0.436 -6.339 2.528
210 HZ PHE 29 HZ PHE 29 -1.192 -6.521 0.706
211 H PHE 30 H PHE 30 5.479 -4.344 1.848
212 HA PHE 30 HA PHE 30 5.237 -6.523 3.802
213 1HB PHE 30 1HB PHE 30 6.927 -3.953 3.694
214 2HB PHE 30 2HB PHE 30 6.868 -4.995 5.102
215 HD1 PHE 30 HD1 PHE 30 9.106 -4.132 2.911
216 HD2 PHE 30 HD2 PHE 30 6.975 -7.675 3.865
217 HE1 PHE 30 HE1 PHE 30 10.978 -5.512 1.968
218 HE2 PHE 30 HE2 PHE 30 8.847 -9.055 2.922
219 HZ PHE 30 HZ PHE 30 10.826 -7.957 1.984
220 H SER 31 H SER 31 4.038 -6.160 5.691
221 HA SER 31 HA SER 31 2.324 -3.846 5.518
222 1HB SER 31 1HB SER 31 1.013 -5.746 5.888
223 2HB SER 31 2HB SER 31 2.212 -6.513 6.909
224 HG SER 31 HG SER 31 1.104 -5.764 8.570
225 H VAL 32 H VAL 32 2.086 -2.314 7.255
226 HA VAL 32 HA VAL 32 4.017 -2.580 9.434
227 HB VAL 32 HB VAL 32 3.718 -0.253 7.535
228 1HG1 VAL 32 1HG1 VAL 32 4.803 -0.345 10.340
229 2HG1 VAL 32 2HG1 VAL 32 5.528 0.751 9.140
230 3HG1 VAL 32 3HG1 VAL 32 3.802 0.896 9.549
231 1HG2 VAL 32 1HG2 VAL 32 5.984 -0.586 6.994
232 2HG2 VAL 32 2HG2 VAL 32 6.267 -1.619 8.415
233 3HG2 VAL 32 3HG2 VAL 32 5.296 -2.226 7.053
234 H PHE 33 H PHE 33 3.104 -2.153 11.390
235 HA PHE 33 HA PHE 33 0.377 -1.137 11.331
236 1HB PHE 33 1HB PHE 33 2.037 -2.215 13.674
237 2HB PHE 33 2HB PHE 33 0.289 -2.177 13.558
238 HD1 PHE 33 HD1 PHE 33 3.327 -3.907 12.456
239 HD2 PHE 33 HD2 PHE 33 -0.914 -3.869 12.322
240 HE1 PHE 33 HE1 PHE 33 3.335 -6.251 11.561
241 HE2 PHE 33 HE2 PHE 33 -0.907 -6.214 11.426
242 HZ PHE 33 HZ PHE 33 1.218 -7.377 11.056
243 H ILE 34 H ILE 34 -0.004 0.983 11.746
244 HA ILE 34 HA ILE 34 2.066 2.670 12.673
245 HB ILE 34 HB ILE 34 0.482 4.421 12.464
246 1HG1 ILE 34 1HG1 ILE 34 -1.861 2.675 11.912
247 2HG1 ILE 34 2HG1 ILE 34 -1.354 2.785 13.586
248 1HG2 ILE 34 1HG2 ILE 34 0.107 4.305 10.208
249 2HG2 ILE 34 2HG2 ILE 34 1.294 2.993 10.404
250 3HG2 ILE 34 3HG2 ILE 34 -0.440 2.613 10.266
251 1HD1 ILE 34 1HD1 ILE 34 -3.019 4.541 13.034
252 2HD1 ILE 34 2HD1 ILE 34 -1.456 5.264 13.481
253 3HD1 ILE 34 3HD1 ILE 34 -1.936 5.170 11.769
254 H ASP 35 H ASP 35 -0.143 0.534 14.244
255 HA ASP 35 HA ASP 35 -0.808 1.843 16.508
256 1HB ASP 35 1HB ASP 35 -1.188 -0.288 17.459
257 2HB ASP 35 2HB ASP 35 -1.302 -0.591 15.737
258 H ASP 36 H ASP 36 0.219 1.261 18.821
259 HA ASP 36 HA ASP 36 1.845 1.740 20.190
260 1HB ASP 36 1HB ASP 36 3.067 -0.295 18.319
261 2HB ASP 36 2HB ASP 36 4.093 0.425 19.544
262 H ASP 37 H ASP 37 1.547 3.743 18.182
263 HA ASP 37 HA ASP 37 4.091 4.938 18.311
264 1HB ASP 37 1HB ASP 37 3.809 3.302 16.111
265 2HB ASP 37 2HB ASP 37 3.179 4.805 15.467
266 H ALA 38 H ALA 38 3.012 6.760 19.212
267 HA ALA 38 HA ALA 38 0.552 7.715 18.200
268 1HB ALA 38 1HB ALA 38 1.509 9.793 19.630
269 2HB ALA 38 2HB ALA 38 0.828 8.334 20.391
270 3HB ALA 38 3HB ALA 38 2.592 8.514 20.232
271 H ALA 39 H ALA 39 4.000 8.385 17.546
272 HA ALA 39 HA ALA 39 3.714 10.804 16.226
273 1HB ALA 39 1HB ALA 39 5.667 8.496 15.909
274 2HB ALA 39 2HB ALA 39 5.861 10.064 15.088
275 3HB ALA 39 3HB ALA 39 5.880 9.982 16.866
276 H LEU 40 H LEU 40 3.599 7.408 14.954
277 HA LEU 40 HA LEU 40 3.087 8.218 12.305
278 1HB LEU 40 1HB LEU 40 2.605 5.597 13.729
279 2HB LEU 40 2HB LEU 40 2.459 5.835 11.999
280 HG LEU 40 HG LEU 40 5.008 6.245 13.588
281 1HD1 LEU 40 1HD1 LEU 40 4.466 3.916 13.653
282 2HD1 LEU 40 2HD1 LEU 40 4.075 3.899 11.917
283 3HD1 LEU 40 3HD1 LEU 40 5.756 4.147 12.448
284 1HD2 LEU 40 1HD2 LEU 40 5.726 5.881 10.967
285 2HD2 LEU 40 2HD2 LEU 40 4.236 6.843 10.819
286 3HD2 LEU 40 3HD2 LEU 40 5.594 7.450 11.797
287 H GLU 41 H GLU 41 1.026 7.441 15.137
288 HA GLU 41 HA GLU 41 -1.363 7.319 13.752
289 1HB GLU 41 1HB GLU 41 -0.620 7.949 16.620
290 2HB GLU 41 2HB GLU 41 -2.292 8.055 16.106
291 1HG GLU 41 1HG GLU 41 -0.781 5.571 15.331
292 2HG GLU 41 2HG GLU 41 -1.194 5.754 17.024
293 H SER 42 H SER 42 0.352 10.086 15.333
294 HA SER 42 HA SER 42 -1.689 11.914 14.738
295 1HB SER 42 1HB SER 42 0.690 11.898 16.241
296 2HB SER 42 2HB SER 42 0.992 13.091 14.994
297 HG SER 42 HG SER 42 -1.461 13.097 16.511
298 H ALA 43 H ALA 43 1.132 10.633 13.006
299 HA ALA 43 HA ALA 43 1.225 12.718 11.066
300 1HB ALA 43 1HB ALA 43 2.622 10.207 11.713
301 2HB ALA 43 2HB ALA 43 2.459 10.493 9.963
302 3HB ALA 43 3HB ALA 43 3.249 11.710 10.994
303 H TYR 44 H TYR 44 -0.212 9.410 11.280
304 HA TYR 44 HA TYR 44 -1.607 9.983 8.757
305 1HB TYR 44 1HB TYR 44 -0.830 7.460 10.340
306 2HB TYR 44 2HB TYR 44 -1.906 7.384 8.959
307 HD1 TYR 44 HD1 TYR 44 -0.736 9.065 6.941
308 HD2 TYR 44 HD2 TYR 44 1.234 6.559 9.794
309 HE1 TYR 44 HE1 TYR 44 1.272 8.870 5.394
310 HE2 TYR 44 HE2 TYR 44 3.236 6.373 8.238
311 HH TYR 44 HH TYR 44 4.032 6.820 6.274
312 H GLY 45 H GLY 45 -2.211 7.872 11.651
313 1HA GLY 45 1HA GLY 45 -4.053 7.570 12.900
314 2HA GLY 45 2HA GLY 45 -4.371 9.280 12.685
315 H LEU 46 H LEU 46 -5.711 10.013 10.886
316 HA LEU 46 HA LEU 46 -7.786 8.159 10.304
317 1HB LEU 46 1HB LEU 46 -7.267 11.023 10.044
318 2HB LEU 46 2HB LEU 46 -8.166 10.369 8.689
319 HG LEU 46 HG LEU 46 -9.674 11.244 10.372
320 1HD1 LEU 46 1HD1 LEU 46 -9.881 8.783 9.159
321 2HD1 LEU 46 2HD1 LEU 46 -10.239 8.411 10.862
322 3HD1 LEU 46 3HD1 LEU 46 -11.190 9.645 10.003
323 1HD2 LEU 46 1HD2 LEU 46 -9.232 9.231 12.441
324 2HD2 LEU 46 2HD2 LEU 46 -7.837 10.314 12.220
325 3HD2 LEU 46 3HD2 LEU 46 -9.443 10.994 12.575
326 H ARG 47 H ARG 47 -4.916 9.445 8.610
327 HA ARG 47 HA ARG 47 -5.762 8.144 6.194
328 1HB ARG 47 1HB ARG 47 -3.227 9.721 6.869
329 2HB ARG 47 2HB ARG 47 -3.611 9.112 5.271
330 1HG ARG 47 1HG ARG 47 -4.803 10.997 4.876
331 2HG ARG 47 2HG ARG 47 -5.943 10.504 6.112
332 1HD ARG 47 1HD ARG 47 -4.986 11.873 7.751
333 2HD ARG 47 2HD ARG 47 -3.383 11.785 7.048
334 HE ARG 47 HE ARG 47 -3.885 13.653 5.735
335 1HH1 ARG 47 2HH2 ARG 47 -6.887 12.239 6.907
336 2HH1 ARG 47 1HH2 ARG 47 -7.878 13.523 6.299
337 1HH2 ARG 47 2HH1 ARG 47 -5.193 15.347 4.932
338 2HH2 ARG 47 1HH1 ARG 47 -6.908 15.302 5.168
339 H VAL 48 H VAL 48 -5.322 6.416 8.484
340 HA VAL 48 HA VAL 48 -2.816 5.332 8.715
341 HB VAL 48 HB VAL 48 -5.588 4.554 9.250
342 1HG1 VAL 48 1HG1 VAL 48 -3.527 2.460 8.569
343 2HG1 VAL 48 2HG1 VAL 48 -4.797 2.138 9.774
344 3HG1 VAL 48 3HG1 VAL 48 -5.242 2.549 8.100
345 1HG2 VAL 48 1HG2 VAL 48 -3.191 3.754 10.878
346 2HG2 VAL 48 2HG2 VAL 48 -3.672 5.466 10.794
347 3HG2 VAL 48 3HG2 VAL 48 -4.816 4.250 11.411
348 HA PRO 49 HA PRO 49 -3.854 2.608 4.988
349 1HB PRO 49 1HB PRO 49 -6.035 3.176 3.442
350 2HB PRO 49 2HB PRO 49 -6.053 1.980 4.723
351 1HG PRO 49 1HG PRO 49 -7.222 4.695 4.705
352 2HG PRO 49 2HG PRO 49 -7.581 3.353 5.773
353 1HD PRO 49 1HD PRO 49 -5.988 5.657 6.389
354 2HD PRO 49 2HD PRO 49 -6.252 4.261 7.414
355 H VAL 50 H VAL 50 -1.927 4.034 4.739
356 HA VAL 50 HA VAL 50 -2.367 5.682 2.345
357 HB VAL 50 HB VAL 50 -0.686 6.041 4.794
358 1HG1 VAL 50 1HG1 VAL 50 1.101 6.357 3.403
359 2HG1 VAL 50 2HG1 VAL 50 0.084 6.772 2.003
360 3HG1 VAL 50 3HG1 VAL 50 0.372 7.976 3.282
361 1HG2 VAL 50 1HG2 VAL 50 -1.723 8.094 4.970
362 2HG2 VAL 50 2HG2 VAL 50 -1.990 8.235 3.216
363 3HG2 VAL 50 3HG2 VAL 50 -3.006 7.142 4.185
364 H LEU 51 H LEU 51 -1.364 5.015 0.512
365 HA LEU 51 HA LEU 51 0.426 2.745 0.754
366 1HB LEU 51 1HB LEU 51 -1.565 2.906 -0.827
367 2HB LEU 51 2HB LEU 51 -0.607 4.034 -1.765
368 HG LEU 51 HG LEU 51 0.599 2.408 -2.718
369 1HD1 LEU 51 1HD1 LEU 51 1.623 0.521 -1.531
370 2HD1 LEU 51 2HD1 LEU 51 1.944 2.070 -0.716
371 3HD1 LEU 51 3HD1 LEU 51 0.720 0.956 -0.060
372 1HD2 LEU 51 1HD2 LEU 51 -0.541 0.013 -2.298
373 2HD2 LEU 51 2HD2 LEU 51 -1.822 1.064 -1.649
374 3HD2 LEU 51 3HD2 LEU 51 -1.262 1.275 -3.325
375 H ARG 52 H ARG 52 2.564 3.078 1.004
376 HA ARG 52 HA ARG 52 3.611 5.520 -0.181
377 1HB ARG 52 1HB ARG 52 5.414 5.402 1.509
378 2HB ARG 52 2HB ARG 52 3.851 5.366 2.301
379 1HG ARG 52 1HG ARG 52 4.122 3.205 3.046
380 2HG ARG 52 2HG ARG 52 4.899 2.679 1.566
381 1HD ARG 52 1HD ARG 52 6.481 4.600 3.232
382 2HD ARG 52 2HD ARG 52 6.226 3.020 3.944
383 HE ARG 52 HE ARG 52 7.102 2.937 1.139
384 1HH1 ARG 52 2HH2 ARG 52 8.123 2.986 4.505
385 2HH1 ARG 52 1HH2 ARG 52 9.674 2.287 4.178
386 1HH2 ARG 52 2HH1 ARG 52 9.148 2.015 0.706
387 2HH2 ARG 52 1HH1 ARG 52 10.260 1.731 2.003
388 H ASP 53 H ASP 53 6.058 5.281 -0.831
389 HA ASP 53 HA ASP 53 6.489 2.591 -1.859
390 1HB ASP 53 1HB ASP 53 7.736 4.065 -3.758
391 2HB ASP 53 2HB ASP 53 6.062 3.567 -3.899
392 HA PRO 54 HA PRO 54 10.570 3.254 -0.393
393 1HB PRO 54 1HB PRO 54 12.148 1.885 -2.155
394 2HB PRO 54 2HB PRO 54 11.231 1.103 -0.883
395 1HG PRO 54 1HG PRO 54 10.673 1.189 -3.784
396 2HG PRO 54 2HG PRO 54 10.037 0.090 -2.576
397 1HD PRO 54 1HD PRO 54 8.671 2.318 -3.759
398 2HD PRO 54 2HD PRO 54 8.079 1.291 -2.469
399 H MET 55 H MET 55 9.800 4.365 -3.514
400 HA MET 55 HA MET 55 12.244 5.619 -4.028
401 1HB MET 55 1HB MET 55 9.373 5.925 -5.004
402 2HB MET 55 2HB MET 55 10.588 7.067 -5.543
403 1HG MET 55 1HG MET 55 10.801 4.031 -5.846
404 2HG MET 55 2HG MET 55 10.312 5.128 -7.121
405 1HE MET 55 1HE MET 55 11.741 7.233 -7.770
406 2HE MET 55 2HE MET 55 13.407 6.871 -8.281
407 3HE MET 55 3HE MET 55 12.058 5.870 -8.870
408 H GLY 56 H GLY 56 9.202 6.670 -2.407
409 1HA GLY 56 1HA GLY 56 9.649 8.202 -0.510
410 2HA GLY 56 2HA GLY 56 10.583 9.171 -1.633
411 H ARG 57 H ARG 57 7.377 7.473 -1.922
412 HA ARG 57 HA ARG 57 6.166 10.073 -2.245
413 1HB ARG 57 1HB ARG 57 5.551 7.823 -4.211
414 2HB ARG 57 2HB ARG 57 5.068 9.504 -4.329
415 1HG ARG 57 1HG ARG 57 7.787 9.816 -4.207
416 2HG ARG 57 2HG ARG 57 7.706 8.236 -4.961
417 1HD ARG 57 1HD ARG 57 6.845 9.068 -6.928
418 2HD ARG 57 2HD ARG 57 5.801 10.213 -6.109
419 HE ARG 57 HE ARG 57 8.316 10.837 -7.259
420 1HH1 ARG 57 2HH2 ARG 57 6.616 11.375 -4.226
421 2HH1 ARG 57 1HH2 ARG 57 7.435 12.861 -3.882
422 1HH2 ARG 57 2HH1 ARG 57 9.398 12.798 -6.806
423 2HH2 ARG 57 1HH1 ARG 57 9.029 13.677 -5.360
424 H GLU 58 H GLU 58 3.700 9.913 -2.121
425 HA GLU 58 HA GLU 58 2.859 7.428 -0.875
426 1HB GLU 58 1HB GLU 58 2.568 10.227 0.276
427 2HB GLU 58 2HB GLU 58 1.514 8.918 0.771
428 1HG GLU 58 1HG GLU 58 3.906 7.651 1.047
429 2HG GLU 58 2HG GLU 58 4.448 9.299 1.291
430 H LEU 59 H LEU 59 0.382 7.291 -0.749
431 HA LEU 59 HA LEU 59 -0.873 8.952 -2.803
432 1HB LEU 59 1HB LEU 59 -0.110 6.851 -3.836
433 2HB LEU 59 2HB LEU 59 -1.043 5.939 -2.666
434 HG LEU 59 HG LEU 59 -3.114 7.098 -3.549
435 1HD1 LEU 59 1HD1 LEU 59 -3.112 8.398 -5.448
436 2HD1 LEU 59 2HD1 LEU 59 -1.599 8.917 -4.668
437 3HD1 LEU 59 3HD1 LEU 59 -1.551 7.761 -6.021
438 1HD2 LEU 59 1HD2 LEU 59 -2.002 5.636 -5.870
439 2HD2 LEU 59 2HD2 LEU 59 -1.920 4.793 -4.304
440 3HD2 LEU 59 3HD2 LEU 59 -3.488 5.356 -4.930
441 H ASP 60 H ASP 60 -3.112 9.333 -2.474
442 HA ASP 60 HA ASP 60 -3.866 9.502 0.147
443 1HB ASP 60 1HB ASP 60 -4.931 10.168 -2.408
444 2HB ASP 60 2HB ASP 60 -6.178 9.218 -1.625
445 H TRP 61 H TRP 61 -5.841 8.371 1.182
446 HA TRP 61 HA TRP 61 -5.494 5.576 1.084
447 1HB TRP 61 1HB TRP 61 -6.246 5.996 3.128
448 2HB TRP 61 2HB TRP 61 -6.956 7.529 2.659
449 HD1 TRP 61 HD1 TRP 61 -9.445 7.416 3.446
450 HE1 TRP 61 HE1 TRP 61 -11.493 5.758 3.294
451 HE3 TRP 61 HE3 TRP 61 -6.886 3.628 1.220
452 HZ2 TRP 61 HZ2 TRP 61 -11.805 3.108 2.282
453 HZ3 TRP 61 HZ3 TRP 61 -8.137 1.539 0.683
454 HH2 TRP 61 HH2 TRP 61 -10.513 1.245 1.178
455 HA PRO 62 HA PRO 62 -9.590 5.773 -1.296
456 1HB PRO 62 1HB PRO 62 -10.629 8.180 -2.068
457 2HB PRO 62 2HB PRO 62 -11.120 7.349 -0.606
458 1HG PRO 62 1HG PRO 62 -9.377 9.719 -0.895
459 2HG PRO 62 2HG PRO 62 -10.213 9.139 0.532
460 1HD PRO 62 1HD PRO 62 -7.418 8.862 -0.050
461 2HD PRO 62 2HD PRO 62 -8.276 8.182 1.318
462 H PHE 63 H PHE 63 -9.074 4.787 -3.136
463 HA PHE 63 HA PHE 63 -8.300 6.530 -5.300
464 1HB PHE 63 1HB PHE 63 -6.370 4.648 -5.627
465 2HB PHE 63 2HB PHE 63 -6.072 6.077 -4.657
466 HD1 PHE 63 HD1 PHE 63 -8.038 3.022 -3.823
467 HD2 PHE 63 HD2 PHE 63 -4.617 5.388 -2.986
468 HE1 PHE 63 HE1 PHE 63 -7.519 1.570 -1.843
469 HE2 PHE 63 HE2 PHE 63 -4.097 3.936 -1.005
470 HZ PHE 63 HZ PHE 63 -5.555 2.045 -0.457
471 H ASP 64 H ASP 64 -7.552 4.697 -7.207
472 HA ASP 64 HA ASP 64 -9.743 2.775 -7.135
473 1HB ASP 64 1HB ASP 64 -8.704 4.155 -9.646
474 2HB ASP 64 2HB ASP 64 -10.142 3.164 -9.504
475 H ALA 65 H ALA 65 -9.177 1.349 -9.477
476 HA ALA 65 HA ALA 65 -6.774 -0.018 -8.739
477 1HB ALA 65 1HB ALA 65 -8.111 -1.643 -9.548
478 2HB ALA 65 2HB ALA 65 -9.170 -0.466 -10.360
479 3HB ALA 65 3HB ALA 65 -7.696 -1.044 -11.172
480 HA PRO 66 HA PRO 66 -5.443 1.856 -12.879
481 1HB PRO 66 1HB PRO 66 -6.962 3.803 -14.050
482 2HB PRO 66 2HB PRO 66 -7.069 2.110 -14.490
483 1HG PRO 66 1HG PRO 66 -8.947 3.728 -12.879
484 2HG PRO 66 2HG PRO 66 -9.226 2.193 -13.677
485 1HD PRO 66 1HD PRO 66 -8.792 2.615 -10.874
486 2HD PRO 66 2HD PRO 66 -8.955 1.072 -11.688
487 H ARG 67 H ARG 67 -6.833 3.782 -10.424
488 HA ARG 67 HA ARG 67 -5.113 5.976 -11.003
489 1HB ARG 67 1HB ARG 67 -7.515 5.722 -9.664
490 2HB ARG 67 2HB ARG 67 -6.405 5.792 -8.311
491 1HG ARG 67 1HG ARG 67 -5.753 7.979 -8.765
492 2HG ARG 67 2HG ARG 67 -5.963 7.802 -10.496
493 1HD ARG 67 1HD ARG 67 -8.561 7.473 -9.324
494 2HD ARG 67 2HD ARG 67 -7.835 8.864 -8.543
495 HE ARG 67 HE ARG 67 -8.744 8.728 -11.281
496 1HH1 ARG 67 2HH2 ARG 67 -6.236 10.152 -9.266
497 2HH1 ARG 67 1HH2 ARG 67 -5.979 11.503 -10.318
498 1HH2 ARG 67 2HH1 ARG 67 -8.406 10.511 -12.670
499 2HH2 ARG 67 1HH1 ARG 67 -7.222 11.709 -12.267
500 H LEU 68 H LEU 68 -5.211 3.115 -8.878
501 HA LEU 68 HA LEU 68 -3.038 4.027 -7.240
502 1HB LEU 68 1HB LEU 68 -4.932 2.580 -6.475
503 2HB LEU 68 2HB LEU 68 -4.272 1.280 -7.447
504 HG LEU 68 HG LEU 68 -2.164 2.273 -5.796
505 1HD1 LEU 68 1HD1 LEU 68 -4.808 2.305 -4.498
506 2HD1 LEU 68 2HD1 LEU 68 -3.561 1.374 -3.634
507 3HD1 LEU 68 3HD1 LEU 68 -3.280 3.087 -4.029
508 1HD2 LEU 68 1HD2 LEU 68 -3.635 -0.305 -5.314
509 2HD2 LEU 68 2HD2 LEU 68 -2.692 -0.058 -6.803
510 3HD2 LEU 68 3HD2 LEU 68 -1.893 0.045 -5.215
511 H ARG 69 H ARG 69 -3.549 1.871 -10.065
512 HA ARG 69 HA ARG 69 -0.971 0.824 -10.019
513 1HB ARG 69 1HB ARG 69 -2.785 -0.266 -11.272
514 2HB ARG 69 2HB ARG 69 -2.999 1.148 -12.284
515 1HG ARG 69 1HG ARG 69 -1.698 -0.281 -13.645
516 2HG ARG 69 2HG ARG 69 -0.504 0.813 -12.974
517 1HD ARG 69 1HD ARG 69 0.134 -0.837 -11.264
518 2HD ARG 69 2HD ARG 69 -1.171 -1.904 -11.743
519 HE ARG 69 HE ARG 69 1.405 -1.652 -13.045
520 1HH1 ARG 69 2HH2 ARG 69 -1.993 -2.308 -13.686
521 2HH1 ARG 69 1HH2 ARG 69 -1.676 -3.232 -15.116
522 1HH2 ARG 69 2HH1 ARG 69 1.823 -2.871 -14.932
523 2HH2 ARG 69 1HH1 ARG 69 0.508 -3.554 -15.830
524 H ALA 70 H ALA 70 -2.514 3.541 -11.866
525 HA ALA 70 HA ALA 70 -0.343 4.239 -13.418
526 1HB ALA 70 1HB ALA 70 -1.525 6.612 -13.107
527 2HB ALA 70 2HB ALA 70 -2.304 5.301 -14.025
528 3HB ALA 70 3HB ALA 70 -2.784 5.615 -12.340
529 H TRP 71 H TRP 71 -1.054 4.838 -9.977
530 HA TRP 71 HA TRP 71 0.976 6.815 -9.674
531 1HB TRP 71 1HB TRP 71 -0.947 6.796 -8.222
532 2HB TRP 71 2HB TRP 71 -0.592 5.165 -7.687
533 HD1 TRP 71 HD1 TRP 71 0.819 8.761 -7.319
534 HE1 TRP 71 HE1 TRP 71 2.292 8.975 -5.141
535 HE3 TRP 71 HE3 TRP 71 0.692 3.823 -6.114
536 HZ2 TRP 71 HZ2 TRP 71 3.218 7.098 -3.201
537 HZ3 TRP 71 HZ3 TRP 71 1.906 3.097 -4.062
538 HH2 TRP 71 HH2 TRP 71 3.139 4.644 -2.626
539 H LEU 72 H LEU 72 0.658 3.253 -9.344
540 HA LEU 72 HA LEU 72 3.085 2.808 -8.041
541 1HB LEU 72 1HB LEU 72 1.295 1.132 -9.779
542 2HB LEU 72 2HB LEU 72 2.810 0.503 -9.164
543 HG LEU 72 HG LEU 72 0.923 1.732 -7.200
544 1HD1 LEU 72 1HD1 LEU 72 -0.779 0.484 -7.993
545 2HD1 LEU 72 2HD1 LEU 72 0.297 -0.632 -8.868
546 3HD1 LEU 72 3HD1 LEU 72 0.051 -0.823 -7.115
547 1HD2 LEU 72 1HD2 LEU 72 2.896 1.014 -6.202
548 2HD2 LEU 72 2HD2 LEU 72 1.777 -0.339 -5.909
549 3HD2 LEU 72 3HD2 LEU 72 2.992 -0.453 -7.205
550 H ASP 73 H ASP 73 2.214 3.066 -11.531
551 HA ASP 73 HA ASP 73 4.841 2.449 -12.350
552 1HB ASP 73 1HB ASP 73 2.254 3.015 -13.560
553 2HB ASP 73 2HB ASP 73 3.486 3.958 -14.374
554 H ALA 74 H ALA 74 3.438 5.130 -10.821
555 HA ALA 74 HA ALA 74 4.953 7.138 -12.273
556 1HB ALA 74 1HB ALA 74 3.376 8.542 -11.483
557 2HB ALA 74 2HB ALA 74 2.515 7.096 -10.902
558 3HB ALA 74 3HB ALA 74 3.610 7.979 -9.811
559 H ALA 75 H ALA 75 5.231 4.987 -9.540
560 HA ALA 75 HA ALA 75 6.758 6.403 -7.773
561 1HB ALA 75 1HB ALA 75 6.833 4.375 -6.802
562 2HB ALA 75 2HB ALA 75 6.006 3.726 -8.239
563 3HB ALA 75 3HB ALA 75 7.784 3.706 -8.150
564 HA PRO 76 HA PRO 76 10.554 5.427 -10.414
565 1HB PRO 76 1HB PRO 76 10.280 4.252 -12.866
566 2HB PRO 76 2HB PRO 76 10.632 3.351 -11.405
567 1HG PRO 76 1HG PRO 76 8.085 3.548 -12.894
568 2HG PRO 76 2HG PRO 76 8.576 2.351 -11.711
569 1HD PRO 76 1HD PRO 76 6.776 4.545 -11.289
570 2HD PRO 76 2HD PRO 76 7.357 3.418 -10.079
571 H HIS 77 H HIS 77 11.756 6.379 -12.342
572 HA HIS 77 HA HIS 77 11.860 7.891 -13.987
573 1HB HIS 77 1HB HIS 77 9.359 7.291 -14.401
574 2HB HIS 77 2HB HIS 77 9.017 8.784 -13.550
575 HD1 HIS 77 HD1 HIS 77 9.253 10.958 -14.844
576 HD2 HIS 77 HD2 HIS 77 10.888 7.665 -16.865
577 HE1 HIS 77 HE1 HIS 77 9.841 11.777 -17.188
578 H ALA 78 H ALA 78 9.959 8.737 -11.040
579 HA ALA 78 HA ALA 78 10.323 11.366 -10.801
580 1HB ALA 78 1HB ALA 78 9.228 9.897 -9.141
581 2HB ALA 78 2HB ALA 78 10.821 9.293 -8.626
582 3HB ALA 78 3HB ALA 78 10.389 11.000 -8.364
Start of MODEL 10
1 1H MET 1 1H MET 1 10.871 -1.227 -4.319
2 HA MET 1 HA MET 1 10.038 -2.434 -6.736
3 1HB MET 1 1HB MET 1 12.347 -3.524 -5.381
4 2HB MET 1 2HB MET 1 11.026 -4.643 -5.109
5 1HG MET 1 1HG MET 1 10.694 -5.019 -7.446
6 2HG MET 1 2HG MET 1 11.561 -3.565 -7.900
7 1HE MET 1 1HE MET 1 13.377 -4.974 -9.644
8 2HE MET 1 2HE MET 1 13.587 -3.474 -8.708
9 3HE MET 1 3HE MET 1 14.873 -4.704 -8.719
10 H ALA 2 H ALA 2 10.328 -2.644 -3.145
11 HA ALA 2 HA ALA 2 7.670 -3.852 -3.047
12 1HB ALA 2 1HB ALA 2 9.923 -3.503 -1.040
13 2HB ALA 2 2HB ALA 2 8.304 -4.083 -0.582
14 3HB ALA 2 3HB ALA 2 9.292 -5.017 -1.731
15 H LEU 3 H LEU 3 6.133 -2.955 -1.364
16 HA LEU 3 HA LEU 3 6.481 -0.048 -1.135
17 1HB LEU 3 1HB LEU 3 3.984 -1.584 -1.861
18 2HB LEU 3 2HB LEU 3 4.009 0.113 -1.423
19 HG LEU 3 HG LEU 3 5.913 -0.452 -3.552
20 1HD1 LEU 3 1HD1 LEU 3 3.232 -1.666 -3.759
21 2HD1 LEU 3 2HD1 LEU 3 3.717 -0.654 -5.141
22 3HD1 LEU 3 3HD1 LEU 3 4.736 -2.025 -4.641
23 1HD2 LEU 3 1HD2 LEU 3 5.250 1.572 -4.316
24 2HD2 LEU 3 2HD2 LEU 3 3.528 1.261 -3.993
25 3HD2 LEU 3 3HD2 LEU 3 4.614 1.720 -2.660
26 H THR 4 H THR 4 4.424 0.626 0.501
27 HA THR 4 HA THR 4 4.361 -1.257 2.715
28 HB THR 4 HB THR 4 5.455 1.585 3.034
29 HG1 THR 4 HG1 THR 4 6.693 -1.079 3.014
30 1HG2 THR 4 1HG2 THR 4 4.759 -0.654 4.868
31 2HG2 THR 4 2HG2 THR 4 6.417 -0.042 5.075
32 3HG2 THR 4 3HG2 THR 4 5.032 1.065 5.240
33 H LEU 5 H LEU 5 2.263 -1.464 3.151
34 HA LEU 5 HA LEU 5 0.626 0.959 2.890
35 1HB LEU 5 1HB LEU 5 -0.211 -0.547 1.356
36 2HB LEU 5 2HB LEU 5 0.107 -1.939 2.372
37 HG LEU 5 HG LEU 5 -1.730 -0.838 3.926
38 1HD1 LEU 5 1HD1 LEU 5 -2.910 0.054 1.331
39 2HD1 LEU 5 2HD1 LEU 5 -3.237 0.602 2.993
40 3HD1 LEU 5 3HD1 LEU 5 -1.758 1.131 2.156
41 1HD2 LEU 5 1HD2 LEU 5 -2.679 -2.762 3.368
42 2HD2 LEU 5 2HD2 LEU 5 -3.297 -2.009 1.878
43 3HD2 LEU 5 3HD2 LEU 5 -1.720 -2.836 1.870
44 H TYR 6 H TYR 6 0.520 1.932 4.857
45 HA TYR 6 HA TYR 6 0.832 0.558 7.279
46 1HB TYR 6 1HB TYR 6 -0.482 3.208 6.417
47 2HB TYR 6 2HB TYR 6 -0.181 2.815 8.098
48 HD1 TYR 6 HD1 TYR 6 1.262 4.035 5.003
49 HD2 TYR 6 HD2 TYR 6 2.191 2.566 8.912
50 HE1 TYR 6 HE1 TYR 6 3.605 5.006 4.818
51 HE2 TYR 6 HE2 TYR 6 4.531 3.542 8.714
52 HH TYR 6 HH TYR 6 6.085 4.103 6.751
53 H GLN 7 H GLN 7 -0.612 -0.309 8.756
54 HA GLN 7 HA GLN 7 -3.329 0.228 8.710
55 1HB GLN 7 1HB GLN 7 -4.266 -1.836 7.812
56 2HB GLN 7 2HB GLN 7 -3.264 -1.086 6.585
57 1HG GLN 7 1HG GLN 7 -2.141 -3.050 6.417
58 2HG GLN 7 2HG GLN 7 -1.464 -2.726 8.001
59 1HE2 GLN 7 1HE2 GLN 7 -2.062 -5.265 6.830
60 2HE2 GLN 7 2HE2 GLN 7 -3.223 -6.072 7.830
61 H ARG 8 H ARG 8 -4.358 -0.670 10.567
62 HA ARG 8 HA ARG 8 -2.699 -2.520 12.068
63 1HB ARG 8 1HB ARG 8 -3.458 -1.203 14.171
64 2HB ARG 8 2HB ARG 8 -2.229 -0.452 13.174
65 1HG ARG 8 1HG ARG 8 -3.972 0.918 12.031
66 2HG ARG 8 2HG ARG 8 -5.220 0.146 12.988
67 1HD ARG 8 1HD ARG 8 -3.038 1.257 14.652
68 2HD ARG 8 2HD ARG 8 -3.835 2.480 13.683
69 HE ARG 8 HE ARG 8 -4.974 1.067 15.947
70 1HH1 ARG 8 2HH2 ARG 8 -5.802 2.574 12.877
71 2HH1 ARG 8 1HH2 ARG 8 -7.438 2.909 13.337
72 1HH2 ARG 8 2HH1 ARG 8 -7.132 1.509 16.555
73 2HH2 ARG 8 1HH1 ARG 8 -8.200 2.299 15.443
74 H ASP 9 H ASP 9 -3.889 -4.291 12.731
75 HA ASP 9 HA ASP 9 -5.562 -5.563 13.265
76 1HB ASP 9 1HB ASP 9 -6.120 -3.697 14.896
77 2HB ASP 9 2HB ASP 9 -7.200 -3.020 13.694
78 H ASP 10 H ASP 10 -6.933 -6.716 11.860
79 HA ASP 10 HA ASP 10 -7.330 -6.017 9.330
80 1HB ASP 10 1HB ASP 10 -7.927 -8.204 10.664
81 2HB ASP 10 2HB ASP 10 -9.514 -7.485 10.852
82 H CYS 11 H CYS 11 -8.440 -4.302 8.381
83 HA CYS 11 HA CYS 11 -10.902 -3.437 9.707
84 1HB CYS 11 1HB CYS 11 -8.509 -1.908 9.417
85 2HB CYS 11 2HB CYS 11 -9.700 -1.222 8.331
86 HG CYS 11 HG CYS 11 -9.402 -1.137 11.472
87 H HIS 12 H HIS 12 -12.355 -2.216 8.079
88 HA HIS 12 HA HIS 12 -12.439 -3.772 5.685
89 1HB HIS 12 1HB HIS 12 -14.267 -2.303 7.300
90 2HB HIS 12 2HB HIS 12 -14.330 -1.611 5.691
91 HD1 HIS 12 HD1 HIS 12 -16.383 -3.675 7.352
92 HD2 HIS 12 HD2 HIS 12 -14.080 -4.398 3.922
93 HE1 HIS 12 HE1 HIS 12 -17.492 -5.631 6.146
94 H LEU 13 H LEU 13 -12.224 -0.220 6.440
95 HA LEU 13 HA LEU 13 -11.916 0.728 3.921
96 1HB LEU 13 1HB LEU 13 -12.003 1.889 6.231
97 2HB LEU 13 2HB LEU 13 -10.256 1.766 6.199
98 HG LEU 13 HG LEU 13 -10.404 2.950 3.903
99 1HD1 LEU 13 1HD1 LEU 13 -13.128 3.682 5.012
100 2HD1 LEU 13 2HD1 LEU 13 -12.346 4.394 3.580
101 3HD1 LEU 13 3HD1 LEU 13 -12.815 2.677 3.577
102 1HD2 LEU 13 1HD2 LEU 13 -10.416 3.957 6.629
103 2HD2 LEU 13 2HD2 LEU 13 -9.447 4.462 5.224
104 3HD2 LEU 13 3HD2 LEU 13 -11.069 5.148 5.478
105 H CYS 14 H CYS 14 -9.449 -0.861 6.001
106 HA CYS 14 HA CYS 14 -7.343 -0.378 4.180
107 1HB CYS 14 1HB CYS 14 -6.956 -0.769 6.582
108 2HB CYS 14 2HB CYS 14 -7.558 -2.408 6.428
109 HG CYS 14 HG CYS 14 -5.814 -2.889 4.324
110 H ASP 15 H ASP 15 -9.746 -2.982 4.785
111 HA ASP 15 HA ASP 15 -8.632 -4.955 3.270
112 1HB ASP 15 1HB ASP 15 -10.718 -5.061 4.733
113 2HB ASP 15 2HB ASP 15 -11.603 -4.270 3.444
114 H GLN 16 H GLN 16 -11.006 -2.350 2.347
115 HA GLN 16 HA GLN 16 -11.247 -3.082 -0.297
116 1HB GLN 16 1HB GLN 16 -11.783 -0.627 1.327
117 2HB GLN 16 2HB GLN 16 -11.686 -0.391 -0.407
118 1HG GLN 16 1HG GLN 16 -13.251 -2.657 -0.299
119 2HG GLN 16 2HG GLN 16 -13.724 -1.873 1.195
120 1HE2 GLN 16 1HE2 GLN 16 -14.911 -0.042 1.182
121 2HE2 GLN 16 2HE2 GLN 16 -15.563 0.708 -0.237
122 H ALA 17 H ALA 17 -8.688 -1.368 1.434
123 HA ALA 17 HA ALA 17 -7.544 -0.111 -0.830
124 1HB ALA 17 1HB ALA 17 -5.535 -0.514 1.084
125 2HB ALA 17 2HB ALA 17 -6.593 0.910 0.938
126 3HB ALA 17 3HB ALA 17 -7.039 -0.421 2.032
127 H VAL 18 H VAL 18 -6.827 -3.164 0.997
128 HA VAL 18 HA VAL 18 -4.674 -3.958 -0.550
129 HB VAL 18 HB VAL 18 -6.754 -5.609 0.897
130 1HG1 VAL 18 1HG1 VAL 18 -5.697 -7.398 0.080
131 2HG1 VAL 18 2HG1 VAL 18 -4.466 -6.380 -0.705
132 3HG1 VAL 18 3HG1 VAL 18 -4.252 -6.891 0.987
133 1HG2 VAL 18 1HG2 VAL 18 -4.126 -4.404 1.818
134 2HG2 VAL 18 2HG2 VAL 18 -5.760 -4.022 2.411
135 3HG2 VAL 18 3HG2 VAL 18 -5.048 -5.621 2.732
136 H GLU 19 H GLU 19 -8.197 -4.182 -1.096
137 HA GLU 19 HA GLU 19 -8.123 -6.052 -3.120
138 1HB GLU 19 1HB GLU 19 -10.072 -4.560 -1.822
139 2HB GLU 19 2HB GLU 19 -10.142 -3.906 -3.446
140 1HG GLU 19 1HG GLU 19 -9.935 -6.861 -3.398
141 2HG GLU 19 2HG GLU 19 -11.370 -6.263 -2.590
142 H ALA 20 H ALA 20 -8.014 -2.426 -3.267
143 HA ALA 20 HA ALA 20 -7.875 -2.229 -6.034
144 1HB ALA 20 1HB ALA 20 -8.380 -0.307 -4.690
145 2HB ALA 20 2HB ALA 20 -6.865 -0.471 -3.770
146 3HB ALA 20 3HB ALA 20 -6.819 0.021 -5.480
147 H LEU 21 H LEU 21 -5.350 -2.765 -3.530
148 HA LEU 21 HA LEU 21 -3.147 -2.396 -5.192
149 1HB LEU 21 1HB LEU 21 -3.726 -3.367 -2.532
150 2HB LEU 21 2HB LEU 21 -2.488 -4.349 -3.289
151 HG LEU 21 HG LEU 21 -2.259 -1.350 -3.334
152 1HD1 LEU 21 1HD1 LEU 21 -0.795 -1.712 -1.221
153 2HD1 LEU 21 2HD1 LEU 21 -2.561 -1.567 -1.048
154 3HD1 LEU 21 3HD1 LEU 21 -1.790 -3.170 -0.989
155 1HD2 LEU 21 1HD2 LEU 21 -0.654 -3.566 -4.181
156 2HD2 LEU 21 2HD2 LEU 21 -0.356 -1.821 -4.367
157 3HD2 LEU 21 3HD2 LEU 21 0.211 -2.671 -2.909
158 H ALA 22 H ALA 22 -4.952 -5.417 -4.301
159 HA ALA 22 HA ALA 22 -3.423 -7.098 -5.926
160 1HB ALA 22 1HB ALA 22 -6.076 -8.104 -5.730
161 2HB ALA 22 2HB ALA 22 -4.668 -8.534 -4.729
162 3HB ALA 22 3HB ALA 22 -5.752 -7.216 -4.221
163 H GLN 23 H GLN 23 -6.483 -5.260 -6.514
164 HA GLN 23 HA GLN 23 -6.981 -6.282 -9.013
165 1HB GLN 23 1HB GLN 23 -7.668 -3.682 -7.628
166 2HB GLN 23 2HB GLN 23 -8.108 -3.902 -9.310
167 1HG GLN 23 1HG GLN 23 -8.876 -6.321 -8.048
168 2HG GLN 23 2HG GLN 23 -9.326 -5.067 -6.910
169 1HE2 GLN 23 1HE2 GLN 23 -11.334 -4.475 -7.120
170 2HE2 GLN 23 2HE2 GLN 23 -12.230 -4.280 -8.589
171 H ALA 24 H ALA 24 -4.857 -3.583 -7.949
172 HA ALA 24 HA ALA 24 -4.253 -2.792 -10.632
173 1HB ALA 24 1HB ALA 24 -3.941 -0.980 -9.289
174 2HB ALA 24 2HB ALA 24 -3.590 -1.974 -7.855
175 3HB ALA 24 3HB ALA 24 -2.316 -1.672 -9.062
176 H ARG 25 H ARG 25 -3.363 -5.406 -8.601
177 HA ARG 25 HA ARG 25 -1.874 -6.964 -8.743
178 1HB ARG 25 1HB ARG 25 -1.920 -5.903 -11.538
179 2HB ARG 25 2HB ARG 25 -0.500 -6.849 -11.140
180 1HG ARG 25 1HG ARG 25 -2.868 -8.178 -10.090
181 2HG ARG 25 2HG ARG 25 -3.113 -7.811 -11.786
182 1HD ARG 25 1HD ARG 25 -0.462 -8.759 -11.697
183 2HD ARG 25 2HD ARG 25 -1.301 -9.781 -10.546
184 HE ARG 25 HE ARG 25 -3.031 -9.771 -12.691
185 1HH1 ARG 25 2HH2 ARG 25 0.414 -10.424 -12.391
186 2HH1 ARG 25 1HH2 ARG 25 0.450 -11.531 -13.723
187 1HH2 ARG 25 2HH1 ARG 25 -2.984 -11.230 -14.449
188 2HH2 ARG 25 1HH1 ARG 25 -1.495 -11.992 -14.902
189 H ALA 26 H ALA 26 -1.084 -4.552 -7.449
190 HA ALA 26 HA ALA 26 1.278 -3.414 -8.267
191 1HB ALA 26 1HB ALA 26 1.246 -2.436 -6.193
192 2HB ALA 26 2HB ALA 26 -0.405 -3.102 -6.178
193 3HB ALA 26 3HB ALA 26 0.912 -3.971 -5.355
194 H GLY 27 H GLY 27 0.867 -6.207 -5.968
195 1HA GLY 27 1HA GLY 27 2.356 -8.131 -6.695
196 2HA GLY 27 2HA GLY 27 3.657 -6.963 -6.571
197 H ALA 28 H ALA 28 4.820 -7.619 -4.786
198 HA ALA 28 HA ALA 28 3.306 -8.265 -2.368
199 1HB ALA 28 1HB ALA 28 6.283 -8.605 -2.847
200 2HB ALA 28 2HB ALA 28 5.251 -9.434 -1.657
201 3HB ALA 28 3HB ALA 28 5.090 -9.810 -3.389
202 H PHE 29 H PHE 29 3.992 -7.312 -0.300
203 HA PHE 29 HA PHE 29 5.723 -5.030 -0.407
204 1HB PHE 29 1HB PHE 29 3.791 -3.553 0.474
205 2HB PHE 29 2HB PHE 29 3.656 -3.992 -1.217
206 HD1 PHE 29 HD1 PHE 29 1.664 -4.886 -1.986
207 HD2 PHE 29 HD2 PHE 29 2.565 -5.167 2.152
208 HE1 PHE 29 HE1 PHE 29 -0.615 -5.844 -1.554
209 HE2 PHE 29 HE2 PHE 29 0.286 -6.125 2.583
210 HZ PHE 29 HZ PHE 29 -1.277 -6.452 0.725
211 H PHE 30 H PHE 30 5.425 -3.811 1.907
212 HA PHE 30 HA PHE 30 5.382 -6.002 3.857
213 1HB PHE 30 1HB PHE 30 6.689 -3.218 3.948
214 2HB PHE 30 2HB PHE 30 6.971 -4.513 5.094
215 HD1 PHE 30 HD1 PHE 30 7.562 -6.841 3.614
216 HD2 PHE 30 HD2 PHE 30 8.533 -2.828 2.638
217 HE1 PHE 30 HE1 PHE 30 9.495 -7.646 2.229
218 HE2 PHE 30 HE2 PHE 30 10.466 -3.632 1.253
219 HZ PHE 30 HZ PHE 30 10.923 -6.032 1.065
220 H SER 31 H SER 31 3.946 -5.934 5.542
221 HA SER 31 HA SER 31 2.139 -3.700 5.549
222 1HB SER 31 1HB SER 31 1.079 -5.246 7.436
223 2HB SER 31 2HB SER 31 0.893 -5.646 5.740
224 HG SER 31 HG SER 31 3.157 -6.655 7.189
225 H VAL 32 H VAL 32 2.232 -2.033 7.025
226 HA VAL 32 HA VAL 32 3.916 -2.483 9.393
227 HB VAL 32 HB VAL 32 3.615 -0.057 7.620
228 1HG1 VAL 32 1HG1 VAL 32 4.947 -0.288 10.338
229 2HG1 VAL 32 2HG1 VAL 32 5.180 1.070 9.211
230 3HG1 VAL 32 3HG1 VAL 32 3.569 0.747 9.895
231 1HG2 VAL 32 1HG2 VAL 32 6.209 -0.336 7.710
232 2HG2 VAL 32 2HG2 VAL 32 5.836 -1.999 8.226
233 3HG2 VAL 32 3HG2 VAL 32 5.250 -1.402 6.655
234 H PHE 33 H PHE 33 3.026 -1.986 11.370
235 HA PHE 33 HA PHE 33 0.243 -1.104 11.272
236 1HB PHE 33 1HB PHE 33 1.777 -2.123 13.703
237 2HB PHE 33 2HB PHE 33 0.070 -2.313 13.353
238 HD1 PHE 33 HD1 PHE 33 3.129 -3.973 13.461
239 HD2 PHE 33 HD2 PHE 33 -0.413 -3.731 11.136
240 HE1 PHE 33 HE1 PHE 33 3.572 -6.268 12.547
241 HE2 PHE 33 HE2 PHE 33 0.030 -6.026 10.222
242 HZ PHE 33 HZ PHE 33 2.017 -7.267 10.938
243 H ILE 34 H ILE 34 -0.318 0.917 11.936
244 HA ILE 34 HA ILE 34 1.743 2.631 12.952
245 HB ILE 34 HB ILE 34 0.160 4.380 12.684
246 1HG1 ILE 34 1HG1 ILE 34 -2.128 2.726 11.823
247 2HG1 ILE 34 2HG1 ILE 34 -1.746 2.598 13.529
248 1HG2 ILE 34 1HG2 ILE 34 0.487 4.330 10.493
249 2HG2 ILE 34 2HG2 ILE 34 0.885 2.599 10.609
250 3HG2 ILE 34 3HG2 ILE 34 -0.792 3.107 10.296
251 1HD1 ILE 34 1HD1 ILE 34 -3.369 4.468 12.928
252 2HD1 ILE 34 2HD1 ILE 34 -1.940 4.992 13.851
253 3HD1 ILE 34 3HD1 ILE 34 -2.019 5.276 12.096
254 H ASP 35 H ASP 35 -0.600 0.452 14.268
255 HA ASP 35 HA ASP 35 -1.396 1.710 16.532
256 1HB ASP 35 1HB ASP 35 -1.924 -0.444 17.366
257 2HB ASP 35 2HB ASP 35 -1.955 -0.655 15.627
258 H ASP 36 H ASP 36 -0.507 1.801 18.729
259 HA ASP 36 HA ASP 36 1.012 1.641 20.313
260 1HB ASP 36 1HB ASP 36 1.913 -0.402 18.766
261 2HB ASP 36 2HB ASP 36 3.247 0.709 18.527
262 H ASP 37 H ASP 37 2.502 2.338 17.059
263 HA ASP 37 HA ASP 37 4.243 4.279 18.057
264 1HB ASP 37 1HB ASP 37 3.135 3.913 15.233
265 2HB ASP 37 2HB ASP 37 4.537 4.881 15.643
266 H ALA 38 H ALA 38 3.223 6.013 19.162
267 HA ALA 38 HA ALA 38 0.751 7.095 18.371
268 1HB ALA 38 1HB ALA 38 2.889 8.498 20.002
269 2HB ALA 38 2HB ALA 38 1.120 8.643 20.135
270 3HB ALA 38 3HB ALA 38 1.933 7.148 20.657
271 H ALA 39 H ALA 39 4.166 7.815 17.577
272 HA ALA 39 HA ALA 39 3.785 10.321 16.442
273 1HB ALA 39 1HB ALA 39 6.007 10.104 16.182
274 2HB ALA 39 2HB ALA 39 5.864 8.441 16.801
275 3HB ALA 39 3HB ALA 39 5.789 8.749 15.049
276 H LEU 40 H LEU 40 3.693 7.012 14.957
277 HA LEU 40 HA LEU 40 3.048 7.988 12.390
278 1HB LEU 40 1HB LEU 40 2.691 5.255 13.626
279 2HB LEU 40 2HB LEU 40 2.513 5.622 11.922
280 HG LEU 40 HG LEU 40 5.069 5.957 13.517
281 1HD1 LEU 40 1HD1 LEU 40 5.849 4.015 12.119
282 2HD1 LEU 40 2HD1 LEU 40 4.625 3.626 13.351
283 3HD1 LEU 40 3HD1 LEU 40 4.153 3.768 11.641
284 1HD2 LEU 40 1HD2 LEU 40 5.288 7.502 11.814
285 2HD2 LEU 40 2HD2 LEU 40 6.000 6.042 11.086
286 3HD2 LEU 40 3HD2 LEU 40 4.342 6.530 10.661
287 H GLU 41 H GLU 41 1.157 7.035 15.271
288 HA GLU 41 HA GLU 41 -1.294 6.881 13.980
289 1HB GLU 41 1HB GLU 41 -0.485 7.440 16.855
290 2HB GLU 41 2HB GLU 41 -2.171 7.382 16.379
291 1HG GLU 41 1HG GLU 41 -0.613 5.092 15.337
292 2HG GLU 41 2HG GLU 41 -0.593 5.181 17.087
293 H SER 42 H SER 42 0.399 9.609 15.653
294 HA SER 42 HA SER 42 -1.722 11.397 15.248
295 1HB SER 42 1HB SER 42 0.721 11.374 16.651
296 2HB SER 42 2HB SER 42 0.923 12.655 15.472
297 HG SER 42 HG SER 42 -1.312 13.382 16.249
298 H ALA 43 H ALA 43 1.084 10.334 13.345
299 HA ALA 43 HA ALA 43 1.076 12.523 11.542
300 1HB ALA 43 1HB ALA 43 2.207 10.329 10.240
301 2HB ALA 43 2HB ALA 43 3.072 11.513 11.249
302 3HB ALA 43 3HB ALA 43 2.491 9.990 11.964
303 H TYR 44 H TYR 44 -0.381 9.215 11.568
304 HA TYR 44 HA TYR 44 -1.876 9.979 9.158
305 1HB TYR 44 1HB TYR 44 -1.111 7.347 10.560
306 2HB TYR 44 2HB TYR 44 -2.230 7.382 9.212
307 HD1 TYR 44 HD1 TYR 44 0.942 6.485 9.928
308 HD2 TYR 44 HD2 TYR 44 -1.108 9.100 7.232
309 HE1 TYR 44 HE1 TYR 44 2.890 6.345 8.300
310 HE2 TYR 44 HE2 TYR 44 0.847 8.951 5.613
311 HH TYR 44 HH TYR 44 3.530 6.752 6.225
312 H GLY 45 H GLY 45 -2.417 7.721 11.952
313 1HA GLY 45 1HA GLY 45 -4.182 7.453 13.318
314 2HA GLY 45 2HA GLY 45 -4.558 9.147 13.073
315 H LEU 46 H LEU 46 -5.775 9.759 11.039
316 HA LEU 46 HA LEU 46 -7.844 7.789 10.604
317 1HB LEU 46 1HB LEU 46 -7.546 10.693 10.420
318 2HB LEU 46 2HB LEU 46 -8.440 10.008 9.077
319 HG LEU 46 HG LEU 46 -9.918 10.747 10.881
320 1HD1 LEU 46 1HD1 LEU 46 -10.148 7.768 10.981
321 2HD1 LEU 46 2HD1 LEU 46 -11.394 9.008 10.703
322 3HD1 LEU 46 3HD1 LEU 46 -10.254 8.585 9.404
323 1HD2 LEU 46 1HD2 LEU 46 -9.412 10.469 13.019
324 2HD2 LEU 46 2HD2 LEU 46 -9.523 8.702 12.831
325 3HD2 LEU 46 3HD2 LEU 46 -7.971 9.530 12.561
326 H ARG 47 H ARG 47 -4.987 9.114 9.017
327 HA ARG 47 HA ARG 47 -5.836 8.026 6.495
328 1HB ARG 47 1HB ARG 47 -3.296 9.507 7.342
329 2HB ARG 47 2HB ARG 47 -3.601 8.968 5.702
330 1HG ARG 47 1HG ARG 47 -4.766 10.871 5.316
331 2HG ARG 47 2HG ARG 47 -5.957 10.362 6.497
332 1HD ARG 47 1HD ARG 47 -5.179 11.816 8.093
333 2HD ARG 47 2HD ARG 47 -3.501 11.455 7.743
334 HE ARG 47 HE ARG 47 -4.289 12.906 5.525
335 1HH1 ARG 47 2HH2 ARG 47 -4.465 13.488 8.991
336 2HH1 ARG 47 1HH2 ARG 47 -4.363 15.211 8.836
337 1HH2 ARG 47 2HH1 ARG 47 -4.156 15.178 5.320
338 2HH2 ARG 47 1HH1 ARG 47 -4.186 16.178 6.734
339 H VAL 48 H VAL 48 -5.511 6.116 8.638
340 HA VAL 48 HA VAL 48 -3.026 4.946 8.821
341 HB VAL 48 HB VAL 48 -5.830 4.221 9.303
342 1HG1 VAL 48 1HG1 VAL 48 -5.567 2.244 8.133
343 2HG1 VAL 48 2HG1 VAL 48 -3.823 2.145 8.474
344 3HG1 VAL 48 3HG1 VAL 48 -5.003 1.765 9.752
345 1HG2 VAL 48 1HG2 VAL 48 -5.009 4.565 11.351
346 2HG2 VAL 48 2HG2 VAL 48 -4.127 3.028 11.191
347 3HG2 VAL 48 3HG2 VAL 48 -3.335 4.558 10.745
348 HA PRO 49 HA PRO 49 -4.182 2.492 4.943
349 1HB PRO 49 1HB PRO 49 -6.331 3.251 3.435
350 2HB PRO 49 2HB PRO 49 -6.407 1.983 4.643
351 1HG PRO 49 1HG PRO 49 -7.449 4.746 4.789
352 2HG PRO 49 2HG PRO 49 -7.871 3.360 5.774
353 1HD PRO 49 1HD PRO 49 -6.175 5.547 6.526
354 2HD PRO 49 2HD PRO 49 -6.505 4.105 7.466
355 H VAL 50 H VAL 50 -2.195 3.866 4.800
356 HA VAL 50 HA VAL 50 -2.544 5.612 2.460
357 HB VAL 50 HB VAL 50 -0.911 5.889 4.961
358 1HG1 VAL 50 1HG1 VAL 50 0.395 7.692 3.856
359 2HG1 VAL 50 2HG1 VAL 50 0.739 6.078 3.192
360 3HG1 VAL 50 3HG1 VAL 50 -0.303 7.206 2.293
361 1HG2 VAL 50 1HG2 VAL 50 -1.958 7.947 5.197
362 2HG2 VAL 50 2HG2 VAL 50 -2.297 8.096 3.456
363 3HG2 VAL 50 3HG2 VAL 50 -3.242 6.965 4.453
364 H LEU 51 H LEU 51 -1.464 4.998 0.651
365 HA LEU 51 HA LEU 51 0.380 2.759 0.943
366 1HB LEU 51 1HB LEU 51 -1.701 3.280 -0.797
367 2HB LEU 51 2HB LEU 51 -0.284 3.655 -1.757
368 HG LEU 51 HG LEU 51 -0.805 1.029 -0.335
369 1HD1 LEU 51 1HD1 LEU 51 -2.319 1.186 -2.154
370 2HD1 LEU 51 2HD1 LEU 51 -1.069 1.851 -3.234
371 3HD1 LEU 51 3HD1 LEU 51 -0.973 0.156 -2.698
372 1HD2 LEU 51 1HD2 LEU 51 1.532 2.034 -1.947
373 2HD2 LEU 51 2HD2 LEU 51 1.516 1.210 -0.369
374 3HD2 LEU 51 3HD2 LEU 51 1.148 0.298 -1.853
375 H ARG 52 H ARG 52 2.526 3.120 1.015
376 HA ARG 52 HA ARG 52 3.433 5.573 -0.266
377 1HB ARG 52 1HB ARG 52 5.235 5.680 1.430
378 2HB ARG 52 2HB ARG 52 3.670 5.635 2.218
379 1HG ARG 52 1HG ARG 52 4.042 3.563 3.145
380 2HG ARG 52 2HG ARG 52 4.839 2.947 1.711
381 1HD ARG 52 1HD ARG 52 6.368 5.070 3.140
382 2HD ARG 52 2HD ARG 52 6.132 3.603 4.071
383 HE ARG 52 HE ARG 52 6.933 2.818 1.458
384 1HH1 ARG 52 2HH2 ARG 52 8.265 4.531 4.228
385 2HH1 ARG 52 1HH2 ARG 52 9.902 4.085 3.878
386 1HH2 ARG 52 2HH1 ARG 52 9.092 2.229 0.996
387 2HH2 ARG 52 1HH1 ARG 52 10.375 2.767 2.028
388 H ASP 53 H ASP 53 5.780 5.444 -1.062
389 HA ASP 53 HA ASP 53 6.364 2.699 -1.856
390 1HB ASP 53 1HB ASP 53 7.627 4.467 -3.684
391 2HB ASP 53 2HB ASP 53 6.267 3.409 -4.004
392 HA PRO 54 HA PRO 54 10.452 3.528 -0.479
393 1HB PRO 54 1HB PRO 54 12.110 2.432 -2.355
394 2HB PRO 54 2HB PRO 54 11.266 1.481 -1.149
395 1HG PRO 54 1HG PRO 54 10.676 1.766 -4.032
396 2HG PRO 54 2HG PRO 54 10.135 0.526 -2.918
397 1HD PRO 54 1HD PRO 54 8.596 2.736 -3.906
398 2HD PRO 54 2HD PRO 54 8.094 1.564 -2.705
399 H MET 55 H MET 55 9.685 4.736 -3.600
400 HA MET 55 HA MET 55 11.974 6.217 -4.014
401 1HB MET 55 1HB MET 55 9.045 6.613 -4.815
402 2HB MET 55 2HB MET 55 10.310 7.668 -5.412
403 1HG MET 55 1HG MET 55 10.518 6.140 -7.104
404 2HG MET 55 2HG MET 55 11.419 5.192 -5.937
405 1HE MET 55 1HE MET 55 11.023 2.869 -5.982
406 2HE MET 55 2HE MET 55 9.579 2.068 -6.645
407 3HE MET 55 3HE MET 55 10.567 3.123 -7.684
408 H GLY 56 H GLY 56 8.965 6.950 -2.177
409 1HA GLY 56 1HA GLY 56 9.376 8.322 -0.174
410 2HA GLY 56 2HA GLY 56 10.274 9.421 -1.203
411 H ARG 57 H ARG 57 7.141 7.673 -1.771
412 HA ARG 57 HA ARG 57 5.822 10.239 -1.714
413 1HB ARG 57 1HB ARG 57 5.461 8.292 -4.044
414 2HB ARG 57 2HB ARG 57 4.730 9.877 -3.888
415 1HG ARG 57 1HG ARG 57 7.369 10.561 -3.620
416 2HG ARG 57 2HG ARG 57 7.534 9.144 -4.638
417 1HD ARG 57 1HD ARG 57 5.916 10.117 -6.274
418 2HD ARG 57 2HD ARG 57 5.712 11.524 -5.249
419 HE ARG 57 HE ARG 57 7.982 10.960 -6.999
420 1HH1 ARG 57 2HH2 ARG 57 6.967 12.687 -4.106
421 2HH1 ARG 57 1HH2 ARG 57 8.227 13.870 -4.215
422 1HH2 ARG 57 2HH1 ARG 57 9.645 12.521 -7.144
423 2HH2 ARG 57 1HH1 ARG 57 9.760 13.775 -5.955
424 H GLU 58 H GLU 58 3.268 9.736 -2.168
425 HA GLU 58 HA GLU 58 2.587 7.137 -1.124
426 1HB GLU 58 1HB GLU 58 0.939 8.450 0.491
427 2HB GLU 58 2HB GLU 58 2.589 8.118 0.981
428 1HG GLU 58 1HG GLU 58 3.113 10.330 1.039
429 2HG GLU 58 2HG GLU 58 2.468 10.598 -0.568
430 H LEU 59 H LEU 59 0.132 6.782 -1.228
431 HA LEU 59 HA LEU 59 -1.002 8.453 -3.362
432 1HB LEU 59 1HB LEU 59 -0.206 6.223 -4.133
433 2HB LEU 59 2HB LEU 59 -1.336 5.470 -3.026
434 HG LEU 59 HG LEU 59 -3.225 6.475 -4.224
435 1HD1 LEU 59 1HD1 LEU 59 -1.055 7.764 -5.875
436 2HD1 LEU 59 2HD1 LEU 59 -2.704 7.525 -6.501
437 3HD1 LEU 59 3HD1 LEU 59 -2.438 8.521 -5.050
438 1HD2 LEU 59 1HD2 LEU 59 -1.722 5.269 -6.473
439 2HD2 LEU 59 2HD2 LEU 59 -1.793 4.312 -4.974
440 3HD2 LEU 59 3HD2 LEU 59 -3.298 4.834 -5.769
441 H ASP 60 H ASP 60 -3.229 8.945 -3.205
442 HA ASP 60 HA ASP 60 -4.165 9.323 -0.678
443 1HB ASP 60 1HB ASP 60 -6.496 9.309 -2.041
444 2HB ASP 60 2HB ASP 60 -5.339 10.618 -2.182
445 H TRP 61 H TRP 61 -5.796 8.191 0.608
446 HA TRP 61 HA TRP 61 -5.644 5.438 0.616
447 1HB TRP 61 1HB TRP 61 -6.437 5.979 2.610
448 2HB TRP 61 2HB TRP 61 -7.061 7.516 2.044
449 HD1 TRP 61 HD1 TRP 61 -9.565 7.565 2.796
450 HE1 TRP 61 HE1 TRP 61 -11.690 6.004 2.692
451 HE3 TRP 61 HE3 TRP 61 -7.165 3.546 0.810
452 HZ2 TRP 61 HZ2 TRP 61 -12.120 3.324 1.810
453 HZ3 TRP 61 HZ3 TRP 61 -8.511 1.497 0.357
454 HH2 TRP 61 HH2 TRP 61 -10.905 1.346 0.825
455 HA PRO 62 HA PRO 62 -9.718 5.451 -1.791
456 1HB PRO 62 1HB PRO 62 -10.859 7.796 -2.609
457 2HB PRO 62 2HB PRO 62 -11.306 6.980 -1.124
458 1HG PRO 62 1HG PRO 62 -9.662 9.411 -1.479
459 2HG PRO 62 2HG PRO 62 -10.464 8.830 -0.034
460 1HD PRO 62 1HD PRO 62 -7.665 8.653 -0.631
461 2HD PRO 62 2HD PRO 62 -8.485 7.971 0.759
462 H PHE 63 H PHE 63 -9.000 4.411 -3.541
463 HA PHE 63 HA PHE 63 -8.377 6.141 -5.782
464 1HB PHE 63 1HB PHE 63 -6.348 4.371 -6.062
465 2HB PHE 63 2HB PHE 63 -6.133 5.820 -5.100
466 HD1 PHE 63 HD1 PHE 63 -4.528 5.079 -3.551
467 HD2 PHE 63 HD2 PHE 63 -8.069 2.812 -4.123
468 HE1 PHE 63 HE1 PHE 63 -3.947 3.668 -1.558
469 HE2 PHE 63 HE2 PHE 63 -7.488 1.401 -2.130
470 HZ PHE 63 HZ PHE 63 -5.434 1.846 -0.871
471 H ASP 64 H ASP 64 -7.506 4.265 -7.615
472 HA ASP 64 HA ASP 64 -9.606 2.247 -7.496
473 1HB ASP 64 1HB ASP 64 -8.634 3.591 -10.052
474 2HB ASP 64 2HB ASP 64 -10.030 2.547 -9.869
475 H ALA 65 H ALA 65 -8.972 0.753 -9.757
476 HA ALA 65 HA ALA 65 -6.494 -0.446 -8.988
477 1HB ALA 65 1HB ALA 65 -7.318 -2.248 -10.103
478 2HB ALA 65 2HB ALA 65 -8.848 -1.339 -10.070
479 3HB ALA 65 3HB ALA 65 -7.808 -1.278 -11.513
480 HA PRO 66 HA PRO 66 -5.279 1.341 -13.202
481 1HB PRO 66 1HB PRO 66 -6.901 3.165 -14.432
482 2HB PRO 66 2HB PRO 66 -6.922 1.454 -14.811
483 1HG PRO 66 1HG PRO 66 -8.873 3.030 -13.247
484 2HG PRO 66 2HG PRO 66 -9.077 1.455 -13.988
485 1HD PRO 66 1HD PRO 66 -8.653 1.999 -11.204
486 2HD PRO 66 2HD PRO 66 -8.740 0.422 -11.963
487 H ARG 67 H ARG 67 -6.752 3.278 -10.806
488 HA ARG 67 HA ARG 67 -5.152 5.536 -11.474
489 1HB ARG 67 1HB ARG 67 -7.532 5.221 -10.125
490 2HB ARG 67 2HB ARG 67 -6.431 5.364 -8.770
491 1HG ARG 67 1HG ARG 67 -5.793 7.556 -9.329
492 2HG ARG 67 2HG ARG 67 -6.151 7.343 -11.032
493 1HD ARG 67 1HD ARG 67 -8.610 6.967 -9.558
494 2HD ARG 67 2HD ARG 67 -7.854 8.437 -8.975
495 HE ARG 67 HE ARG 67 -8.946 7.976 -11.658
496 1HH1 ARG 67 2HH2 ARG 67 -6.742 9.932 -9.734
497 2HH1 ARG 67 1HH2 ARG 67 -6.772 11.273 -10.830
498 1HH2 ARG 67 2HH1 ARG 67 -8.986 9.745 -13.104
499 2HH2 ARG 67 1HH1 ARG 67 -8.057 11.166 -12.760
500 H LEU 68 H LEU 68 -5.099 2.757 -9.237
501 HA LEU 68 HA LEU 68 -2.961 3.837 -7.655
502 1HB LEU 68 1HB LEU 68 -4.790 2.322 -6.834
503 2HB LEU 68 2HB LEU 68 -4.043 1.020 -7.739
504 HG LEU 68 HG LEU 68 -1.958 2.095 -6.201
505 1HD1 LEU 68 1HD1 LEU 68 -4.168 3.071 -4.987
506 2HD1 LEU 68 2HD1 LEU 68 -4.022 1.498 -4.167
507 3HD1 LEU 68 3HD1 LEU 68 -2.664 2.648 -4.134
508 1HD2 LEU 68 1HD2 LEU 68 -1.978 -0.196 -6.620
509 2HD2 LEU 68 2HD2 LEU 68 -2.334 -0.087 -4.879
510 3HD2 LEU 68 3HD2 LEU 68 -3.650 -0.391 -6.039
511 H ARG 69 H ARG 69 -3.385 1.550 -10.389
512 HA ARG 69 HA ARG 69 -0.756 0.635 -10.322
513 1HB ARG 69 1HB ARG 69 -2.550 -0.584 -11.505
514 2HB ARG 69 2HB ARG 69 -2.794 0.762 -12.600
515 1HG ARG 69 1HG ARG 69 -1.411 -0.556 -13.923
516 2HG ARG 69 2HG ARG 69 -0.195 0.416 -13.118
517 1HD ARG 69 1HD ARG 69 -0.346 -1.547 -11.277
518 2HD ARG 69 2HD ARG 69 -0.939 -2.471 -12.643
519 HE ARG 69 HE ARG 69 1.789 -1.636 -12.208
520 1HH1 ARG 69 2HH2 ARG 69 -0.571 -2.128 -14.771
521 2HH1 ARG 69 1HH2 ARG 69 0.624 -2.438 -15.987
522 1HH2 ARG 69 2HH1 ARG 69 3.366 -2.045 -13.811
523 2HH2 ARG 69 1HH1 ARG 69 2.878 -2.391 -15.437
524 H ALA 70 H ALA 70 -2.454 3.188 -12.263
525 HA ALA 70 HA ALA 70 -0.307 3.925 -13.850
526 1HB ALA 70 1HB ALA 70 -2.570 5.644 -12.755
527 2HB ALA 70 2HB ALA 70 -1.584 5.993 -14.194
528 3HB ALA 70 3HB ALA 70 -2.677 4.589 -14.184
529 H TRP 71 H TRP 71 -1.086 4.617 -10.451
530 HA TRP 71 HA TRP 71 0.768 6.771 -10.225
531 1HB TRP 71 1HB TRP 71 -1.114 6.714 -8.765
532 2HB TRP 71 2HB TRP 71 -0.734 5.093 -8.218
533 HD1 TRP 71 HD1 TRP 71 0.622 8.714 -7.858
534 HE1 TRP 71 HE1 TRP 71 2.043 8.969 -5.649
535 HE3 TRP 71 HE3 TRP 71 0.512 3.790 -6.594
536 HZ2 TRP 71 HZ2 TRP 71 2.942 7.124 -3.665
537 HZ3 TRP 71 HZ3 TRP 71 1.686 3.100 -4.506
538 HH2 TRP 71 HH2 TRP 71 2.872 4.676 -3.062
539 H LEU 72 H LEU 72 0.751 3.212 -9.787
540 HA LEU 72 HA LEU 72 3.176 3.001 -8.430
541 1HB LEU 72 1HB LEU 72 1.555 1.159 -10.159
542 2HB LEU 72 2HB LEU 72 3.125 0.665 -9.556
543 HG LEU 72 HG LEU 72 0.833 1.570 -7.793
544 1HD1 LEU 72 1HD1 LEU 72 0.156 -0.451 -8.901
545 2HD1 LEU 72 2HD1 LEU 72 1.721 -1.224 -8.552
546 3HD1 LEU 72 3HD1 LEU 72 0.601 -0.842 -7.222
547 1HD2 LEU 72 1HD2 LEU 72 2.843 1.940 -6.623
548 2HD2 LEU 72 2HD2 LEU 72 2.227 0.379 -6.030
549 3HD2 LEU 72 3HD2 LEU 72 3.562 0.419 -7.206
550 H ASP 73 H ASP 73 2.377 3.099 -11.949
551 HA ASP 73 HA ASP 73 5.032 2.666 -12.730
552 1HB ASP 73 1HB ASP 73 2.440 3.203 -13.968
553 2HB ASP 73 2HB ASP 73 3.681 4.158 -14.754
554 H ALA 74 H ALA 74 3.466 5.280 -11.206
555 HA ALA 74 HA ALA 74 5.051 7.328 -12.543
556 1HB ALA 74 1HB ALA 74 2.617 7.226 -10.807
557 2HB ALA 74 2HB ALA 74 3.650 8.669 -10.675
558 3HB ALA 74 3HB ALA 74 2.953 8.215 -12.248
559 H ALA 75 H ALA 75 5.115 5.171 -9.830
560 HA ALA 75 HA ALA 75 6.367 6.670 -7.892
561 1HB ALA 75 1HB ALA 75 7.408 3.932 -8.195
562 2HB ALA 75 2HB ALA 75 6.481 4.660 -6.861
563 3HB ALA 75 3HB ALA 75 5.633 4.025 -8.291
564 HA PRO 76 HA PRO 76 10.439 5.697 -10.099
565 1HB PRO 76 1HB PRO 76 10.421 4.594 -12.599
566 2HB PRO 76 2HB PRO 76 10.608 3.648 -11.135
567 1HG PRO 76 1HG PRO 76 8.237 3.912 -12.881
568 2HG PRO 76 2HG PRO 76 8.589 2.679 -11.687
569 1HD PRO 76 1HD PRO 76 6.771 4.878 -11.397
570 2HD PRO 76 2HD PRO 76 7.210 3.712 -10.165
571 H HIS 77 H HIS 77 11.705 6.423 -12.289
572 HA HIS 77 HA HIS 77 10.307 8.914 -12.935
573 1HB HIS 77 1HB HIS 77 12.881 8.453 -11.881
574 2HB HIS 77 2HB HIS 77 13.137 8.931 -13.547
575 HD1 HIS 77 HD1 HIS 77 14.129 10.893 -11.534
576 HD2 HIS 77 HD2 HIS 77 10.159 10.932 -12.887
577 HE1 HIS 77 HE1 HIS 77 13.247 13.247 -11.095
578 H ALA 78 H ALA 78 12.830 6.707 -14.357
579 HA ALA 78 HA ALA 78 13.178 6.043 -16.441
580 1HB ALA 78 1HB ALA 78 10.229 6.188 -17.028
581 2HB ALA 78 2HB ALA 78 11.404 4.912 -17.427
582 3HB ALA 78 3HB ALA 78 10.806 5.082 -15.759
Start of MODEL 11
1 1H MET 1 1H MET 1 11.505 -0.322 -2.380
2 HA MET 1 HA MET 1 12.789 -2.074 -4.081
3 1HB MET 1 1HB MET 1 12.847 -3.993 -2.192
4 2HB MET 1 2HB MET 1 14.233 -2.952 -2.444
5 1HG MET 1 1HG MET 1 13.784 -1.650 -0.521
6 2HG MET 1 2HG MET 1 12.081 -2.059 -0.511
7 1HE MET 1 1HE MET 1 12.796 -2.462 2.318
8 2HE MET 1 2HE MET 1 14.173 -3.529 2.683
9 3HE MET 1 3HE MET 1 14.420 -2.058 1.711
10 H ALA 2 H ALA 2 10.432 -1.569 -1.429
11 HA ALA 2 HA ALA 2 8.437 -2.906 -3.084
12 1HB ALA 2 1HB ALA 2 9.213 -4.636 -1.540
13 2HB ALA 2 2HB ALA 2 8.995 -3.537 -0.157
14 3HB ALA 2 3HB ALA 2 7.579 -4.107 -1.073
15 H LEU 3 H LEU 3 6.174 -2.554 -1.777
16 HA LEU 3 HA LEU 3 6.127 0.324 -1.318
17 1HB LEU 3 1HB LEU 3 3.930 -1.669 -1.892
18 2HB LEU 3 2HB LEU 3 3.678 0.042 -1.611
19 HG LEU 3 HG LEU 3 5.571 -0.772 -3.783
20 1HD1 LEU 3 1HD1 LEU 3 4.024 -1.506 -5.265
21 2HD1 LEU 3 2HD1 LEU 3 3.215 -2.052 -3.777
22 3HD1 LEU 3 3HD1 LEU 3 2.712 -0.533 -4.557
23 1HD2 LEU 3 1HD2 LEU 3 4.176 1.257 -4.797
24 2HD2 LEU 3 2HD2 LEU 3 3.891 1.584 -3.071
25 3HD2 LEU 3 3HD2 LEU 3 5.555 1.501 -3.698
26 H THR 4 H THR 4 4.025 0.769 0.301
27 HA THR 4 HA THR 4 4.097 -0.980 2.587
28 HB THR 4 HB THR 4 5.427 1.774 2.584
29 HG1 THR 4 HG1 THR 4 7.098 0.290 3.530
30 1HG2 THR 4 1HG2 THR 4 3.902 1.350 4.635
31 2HG2 THR 4 2HG2 THR 4 4.946 -0.048 4.990
32 3HG2 THR 4 3HG2 THR 4 5.629 1.596 4.990
33 H LEU 5 H LEU 5 2.057 -1.126 3.251
34 HA LEU 5 HA LEU 5 0.404 1.282 2.921
35 1HB LEU 5 1HB LEU 5 -0.472 -0.184 1.378
36 2HB LEU 5 2HB LEU 5 -0.132 -1.601 2.352
37 HG LEU 5 HG LEU 5 -1.941 -0.546 3.969
38 1HD1 LEU 5 1HD1 LEU 5 -2.029 1.497 2.354
39 2HD1 LEU 5 2HD1 LEU 5 -3.083 0.449 1.375
40 3HD1 LEU 5 3HD1 LEU 5 -3.535 0.852 3.049
41 1HD2 LEU 5 1HD2 LEU 5 -2.239 -2.714 3.077
42 2HD2 LEU 5 2HD2 LEU 5 -3.709 -1.803 2.659
43 3HD2 LEU 5 3HD2 LEU 5 -2.460 -2.092 1.424
44 H TYR 6 H TYR 6 0.404 2.219 4.918
45 HA TYR 6 HA TYR 6 0.678 0.779 7.306
46 1HB TYR 6 1HB TYR 6 -0.532 3.505 6.530
47 2HB TYR 6 2HB TYR 6 -0.201 3.059 8.192
48 HD1 TYR 6 HD1 TYR 6 2.354 2.103 8.495
49 HD2 TYR 6 HD2 TYR 6 1.032 4.876 5.518
50 HE1 TYR 6 HE1 TYR 6 4.726 2.984 8.252
51 HE2 TYR 6 HE2 TYR 6 3.409 5.748 5.285
52 HH TYR 6 HH TYR 6 5.457 5.835 6.877
53 H GLN 7 H GLN 7 -0.778 -0.131 8.722
54 HA GLN 7 HA GLN 7 -3.578 0.404 8.252
55 1HB GLN 7 1HB GLN 7 -4.172 -1.978 8.204
56 2HB GLN 7 2HB GLN 7 -3.073 -1.608 6.891
57 1HG GLN 7 1HG GLN 7 -1.153 -2.395 8.386
58 2HG GLN 7 2HG GLN 7 -2.352 -2.928 9.548
59 1HE2 GLN 7 1HE2 GLN 7 -3.976 -4.466 8.843
60 2HE2 GLN 7 2HE2 GLN 7 -3.581 -5.664 7.657
61 H ARG 8 H ARG 8 -4.931 -0.754 10.091
62 HA ARG 8 HA ARG 8 -3.349 -1.091 12.468
63 1HB ARG 8 1HB ARG 8 -4.749 0.524 13.767
64 2HB ARG 8 2HB ARG 8 -3.859 1.328 12.488
65 1HG ARG 8 1HG ARG 8 -5.833 2.170 11.753
66 2HG ARG 8 2HG ARG 8 -6.263 0.551 11.240
67 1HD ARG 8 1HD ARG 8 -6.770 0.529 14.015
68 2HD ARG 8 2HD ARG 8 -7.299 2.121 13.507
69 HE ARG 8 HE ARG 8 -8.416 0.541 11.572
70 1HH1 ARG 8 2HH2 ARG 8 -8.397 0.288 15.082
71 2HH1 ARG 8 1HH2 ARG 8 -9.930 -0.515 15.160
72 1HH2 ARG 8 2HH1 ARG 8 -10.438 -0.519 11.675
73 2HH2 ARG 8 1HH1 ARG 8 -11.098 -0.977 13.209
74 H ASP 9 H ASP 9 -4.094 -3.013 13.309
75 HA ASP 9 HA ASP 9 -5.390 -4.705 13.736
76 1HB ASP 9 1HB ASP 9 -7.175 -2.337 14.322
77 2HB ASP 9 2HB ASP 9 -7.867 -3.943 14.430
78 H ASP 10 H ASP 10 -5.205 -4.067 10.932
79 HA ASP 10 HA ASP 10 -6.177 -4.264 8.988
80 1HB ASP 10 1HB ASP 10 -6.430 -6.608 10.278
81 2HB ASP 10 2HB ASP 10 -8.140 -6.255 10.131
82 H CYS 11 H CYS 11 -7.276 -2.167 8.898
83 HA CYS 11 HA CYS 11 -9.874 -1.891 10.028
84 1HB CYS 11 1HB CYS 11 -8.170 -0.028 9.723
85 2HB CYS 11 2HB CYS 11 -8.547 -0.058 8.012
86 HG CYS 11 HG CYS 11 -10.042 1.206 10.499
87 H HIS 12 H HIS 12 -11.855 -2.224 9.000
88 HA HIS 12 HA HIS 12 -12.081 -3.900 6.895
89 1HB HIS 12 1HB HIS 12 -14.067 -3.686 7.951
90 2HB HIS 12 2HB HIS 12 -13.846 -1.978 8.278
91 HD1 HIS 12 HD1 HIS 12 -15.264 -0.417 6.928
92 HD2 HIS 12 HD2 HIS 12 -14.818 -4.154 5.076
93 HE1 HIS 12 HE1 HIS 12 -16.755 -0.371 4.858
94 H LEU 13 H LEU 13 -11.467 -0.401 6.862
95 HA LEU 13 HA LEU 13 -12.092 -0.056 4.116
96 1HB LEU 13 1HB LEU 13 -12.037 1.679 5.975
97 2HB LEU 13 2HB LEU 13 -10.292 1.663 5.816
98 HG LEU 13 HG LEU 13 -11.583 2.025 3.231
99 1HD1 LEU 13 1HD1 LEU 13 -13.295 3.043 4.836
100 2HD1 LEU 13 2HD1 LEU 13 -12.064 4.284 5.171
101 3HD1 LEU 13 3HD1 LEU 13 -12.689 4.073 3.518
102 1HD2 LEU 13 1HD2 LEU 13 -10.097 4.295 3.875
103 2HD2 LEU 13 2HD2 LEU 13 -9.285 2.965 4.735
104 3HD2 LEU 13 3HD2 LEU 13 -9.539 2.862 2.977
105 H CYS 14 H CYS 14 -9.109 -0.768 6.005
106 HA CYS 14 HA CYS 14 -7.260 -0.452 4.026
107 1HB CYS 14 1HB CYS 14 -7.365 -2.442 6.308
108 2HB CYS 14 2HB CYS 14 -5.969 -2.269 5.264
109 HG CYS 14 HG CYS 14 -6.277 0.563 5.613
110 H ASP 15 H ASP 15 -9.469 -3.217 4.744
111 HA ASP 15 HA ASP 15 -8.451 -5.075 3.074
112 1HB ASP 15 1HB ASP 15 -10.906 -4.599 4.462
113 2HB ASP 15 2HB ASP 15 -11.356 -5.016 2.820
114 H GLN 16 H GLN 16 -10.848 -2.433 2.365
115 HA GLN 16 HA GLN 16 -11.220 -3.105 -0.297
116 1HB GLN 16 1HB GLN 16 -11.776 -0.748 1.451
117 2HB GLN 16 2HB GLN 16 -11.734 -0.418 -0.269
118 1HG GLN 16 1HG GLN 16 -13.287 -2.534 -0.486
119 2HG GLN 16 2HG GLN 16 -13.555 -2.328 1.233
120 1HE2 GLN 16 1HE2 GLN 16 -14.935 -0.847 1.949
121 2HE2 GLN 16 2HE2 GLN 16 -15.771 0.321 0.981
122 H ALA 17 H ALA 17 -8.671 -1.318 1.393
123 HA ALA 17 HA ALA 17 -7.655 -0.015 -0.919
124 1HB ALA 17 1HB ALA 17 -7.373 0.382 1.718
125 2HB ALA 17 2HB ALA 17 -5.931 -0.629 1.454
126 3HB ALA 17 3HB ALA 17 -6.130 0.891 0.550
127 H VAL 18 H VAL 18 -6.875 -3.043 0.896
128 HA VAL 18 HA VAL 18 -4.644 -3.727 -0.636
129 HB VAL 18 HB VAL 18 -6.616 -5.460 0.867
130 1HG1 VAL 18 1HG1 VAL 18 -4.724 -7.066 1.027
131 2HG1 VAL 18 2HG1 VAL 18 -5.291 -6.821 -0.642
132 3HG1 VAL 18 3HG1 VAL 18 -3.792 -6.038 -0.087
133 1HG2 VAL 18 1HG2 VAL 18 -5.389 -3.526 2.081
134 2HG2 VAL 18 2HG2 VAL 18 -5.336 -5.154 2.798
135 3HG2 VAL 18 3HG2 VAL 18 -3.934 -4.535 1.892
136 H GLU 19 H GLU 19 -8.159 -4.145 -1.126
137 HA GLU 19 HA GLU 19 -8.027 -6.051 -3.106
138 1HB GLU 19 1HB GLU 19 -10.020 -4.571 -1.835
139 2HB GLU 19 2HB GLU 19 -10.139 -4.019 -3.494
140 1HG GLU 19 1HG GLU 19 -9.802 -6.957 -3.261
141 2HG GLU 19 2HG GLU 19 -11.258 -6.365 -2.486
142 H ALA 20 H ALA 20 -7.903 -2.440 -3.290
143 HA ALA 20 HA ALA 20 -7.875 -2.271 -6.075
144 1HB ALA 20 1HB ALA 20 -7.310 -0.003 -5.714
145 2HB ALA 20 2HB ALA 20 -8.223 -0.461 -4.257
146 3HB ALA 20 3HB ALA 20 -6.447 -0.366 -4.201
147 H LEU 21 H LEU 21 -5.286 -2.784 -3.634
148 HA LEU 21 HA LEU 21 -3.134 -2.432 -5.380
149 1HB LEU 21 1HB LEU 21 -3.621 -3.391 -2.676
150 2HB LEU 21 2HB LEU 21 -2.337 -4.283 -3.468
151 HG LEU 21 HG LEU 21 -2.339 -1.270 -3.483
152 1HD1 LEU 21 1HD1 LEU 21 -1.444 -1.064 -1.387
153 2HD1 LEU 21 2HD1 LEU 21 -2.573 -2.414 -1.116
154 3HD1 LEU 21 3HD1 LEU 21 -0.838 -2.737 -1.353
155 1HD2 LEU 21 1HD2 LEU 21 -0.666 -1.910 -4.892
156 2HD2 LEU 21 2HD2 LEU 21 0.228 -1.938 -3.353
157 3HD2 LEU 21 3HD2 LEU 21 -0.388 -3.455 -4.052
158 H ALA 22 H ALA 22 -4.789 -5.470 -4.264
159 HA ALA 22 HA ALA 22 -3.343 -7.204 -5.852
160 1HB ALA 22 1HB ALA 22 -4.613 -8.518 -4.538
161 2HB ALA 22 2HB ALA 22 -5.772 -7.201 -4.239
162 3HB ALA 22 3HB ALA 22 -5.952 -8.235 -5.676
163 H GLN 23 H GLN 23 -6.377 -5.363 -6.558
164 HA GLN 23 HA GLN 23 -6.849 -6.472 -9.021
165 1HB GLN 23 1HB GLN 23 -7.543 -3.848 -7.706
166 2HB GLN 23 2HB GLN 23 -7.898 -4.043 -9.411
167 1HG GLN 23 1HG GLN 23 -8.782 -6.457 -8.218
168 2HG GLN 23 2HG GLN 23 -9.264 -5.205 -7.090
169 1HE2 GLN 23 1HE2 GLN 23 -11.007 -6.802 -8.616
170 2HE2 GLN 23 2HE2 GLN 23 -11.905 -5.796 -9.703
171 H ALA 24 H ALA 24 -4.830 -3.623 -8.086
172 HA ALA 24 HA ALA 24 -4.142 -2.990 -10.766
173 1HB ALA 24 1HB ALA 24 -3.439 -2.109 -8.007
174 2HB ALA 24 2HB ALA 24 -2.215 -1.810 -9.263
175 3HB ALA 24 3HB ALA 24 -3.856 -1.147 -9.445
176 H ARG 25 H ARG 25 -3.324 -5.576 -8.695
177 HA ARG 25 HA ARG 25 -1.852 -7.153 -8.781
178 1HB ARG 25 1HB ARG 25 -1.844 -6.136 -11.587
179 2HB ARG 25 2HB ARG 25 -0.423 -7.067 -11.157
180 1HG ARG 25 1HG ARG 25 -2.795 -8.400 -10.120
181 2HG ARG 25 2HG ARG 25 -3.024 -8.055 -11.823
182 1HD ARG 25 1HD ARG 25 -0.412 -8.980 -11.815
183 2HD ARG 25 2HD ARG 25 -1.108 -9.924 -10.513
184 HE ARG 25 HE ARG 25 -2.959 -10.014 -12.657
185 1HH1 ARG 25 2HH2 ARG 25 0.333 -11.066 -11.996
186 2HH1 ARG 25 1HH2 ARG 25 0.259 -12.409 -13.087
187 1HH2 ARG 25 2HH1 ARG 25 -3.057 -11.786 -14.097
188 2HH2 ARG 25 1HH1 ARG 25 -1.682 -12.821 -14.291
189 H ALA 26 H ALA 26 -1.060 -4.714 -7.519
190 HA ALA 26 HA ALA 26 1.338 -3.632 -8.296
191 1HB ALA 26 1HB ALA 26 -0.397 -3.590 -6.047
192 2HB ALA 26 2HB ALA 26 1.234 -3.936 -5.423
193 3HB ALA 26 3HB ALA 26 0.948 -2.481 -6.408
194 H GLY 27 H GLY 27 0.923 -6.253 -5.802
195 1HA GLY 27 1HA GLY 27 2.392 -8.253 -6.530
196 2HA GLY 27 2HA GLY 27 3.688 -7.086 -6.356
197 H ALA 28 H ALA 28 4.769 -7.690 -4.507
198 HA ALA 28 HA ALA 28 3.153 -8.362 -2.166
199 1HB ALA 28 1HB ALA 28 6.158 -8.617 -2.541
200 2HB ALA 28 2HB ALA 28 5.132 -9.422 -1.329
201 3HB ALA 28 3HB ALA 28 5.006 -9.877 -3.045
202 H PHE 29 H PHE 29 3.683 -7.372 -0.074
203 HA PHE 29 HA PHE 29 5.316 -5.002 -0.143
204 1HB PHE 29 1HB PHE 29 3.270 -3.677 0.759
205 2HB PHE 29 2HB PHE 29 3.210 -4.069 -0.948
206 HD1 PHE 29 HD1 PHE 29 1.337 -5.136 -1.811
207 HD2 PHE 29 HD2 PHE 29 2.083 -5.360 2.361
208 HE1 PHE 29 HE1 PHE 29 -0.881 -6.261 -1.474
209 HE2 PHE 29 HE2 PHE 29 -0.135 -6.485 2.697
210 HZ PHE 29 HZ PHE 29 -1.591 -6.922 0.776
211 H PHE 30 H PHE 30 4.960 -3.826 2.173
212 HA PHE 30 HA PHE 30 5.001 -6.026 4.114
213 1HB PHE 30 1HB PHE 30 6.240 -3.208 4.147
214 2HB PHE 30 2HB PHE 30 6.506 -4.432 5.372
215 HD1 PHE 30 HD1 PHE 30 6.983 -6.841 3.756
216 HD2 PHE 30 HD2 PHE 30 8.308 -2.854 3.160
217 HE1 PHE 30 HE1 PHE 30 8.967 -7.691 2.475
218 HE2 PHE 30 HE2 PHE 30 10.292 -3.704 1.879
219 HZ PHE 30 HZ PHE 30 10.598 -6.113 1.552
220 H SER 31 H SER 31 3.625 -5.977 5.862
221 HA SER 31 HA SER 31 1.724 -3.813 5.855
222 1HB SER 31 1HB SER 31 0.725 -5.396 7.748
223 2HB SER 31 2HB SER 31 0.536 -5.794 6.051
224 HG SER 31 HG SER 31 1.284 -7.654 7.117
225 H VAL 32 H VAL 32 2.159 -2.034 7.105
226 HA VAL 32 HA VAL 32 3.740 -2.473 9.537
227 HB VAL 32 HB VAL 32 3.302 -0.001 7.850
228 1HG1 VAL 32 1HG1 VAL 32 4.125 1.259 9.501
229 2HG1 VAL 32 2HG1 VAL 32 3.934 -0.144 10.579
230 3HG1 VAL 32 3HG1 VAL 32 5.487 0.143 9.758
231 1HG2 VAL 32 1HG2 VAL 32 4.768 -1.394 6.647
232 2HG2 VAL 32 2HG2 VAL 32 5.838 -0.282 7.534
233 3HG2 VAL 32 3HG2 VAL 32 5.600 -1.945 8.121
234 H PHE 33 H PHE 33 2.832 -2.100 11.515
235 HA PHE 33 HA PHE 33 0.060 -1.184 11.472
236 1HB PHE 33 1HB PHE 33 1.755 -2.442 13.706
237 2HB PHE 33 2HB PHE 33 0.007 -2.320 13.686
238 HD1 PHE 33 HD1 PHE 33 2.769 -4.398 12.977
239 HD2 PHE 33 HD2 PHE 33 -1.199 -3.561 11.729
240 HE1 PHE 33 HE1 PHE 33 2.623 -6.670 11.919
241 HE2 PHE 33 HE2 PHE 33 -1.346 -5.833 10.671
242 HZ PHE 33 HZ PHE 33 0.567 -7.360 10.779
243 H ILE 34 H ILE 34 -0.455 0.835 12.169
244 HA ILE 34 HA ILE 34 1.629 2.466 13.280
245 HB ILE 34 HB ILE 34 0.099 4.266 13.021
246 1HG1 ILE 34 1HG1 ILE 34 -2.188 2.656 12.046
247 2HG1 ILE 34 2HG1 ILE 34 -1.878 2.547 13.767
248 1HG2 ILE 34 1HG2 ILE 34 0.040 2.287 10.739
249 2HG2 ILE 34 2HG2 ILE 34 -0.598 3.943 10.604
250 3HG2 ILE 34 3HG2 ILE 34 1.123 3.680 10.976
251 1HD1 ILE 34 1HD1 ILE 34 -3.444 4.426 13.122
252 2HD1 ILE 34 2HD1 ILE 34 -2.010 4.968 14.026
253 3HD1 ILE 34 3HD1 ILE 34 -2.087 5.193 12.262
254 H ASP 35 H ASP 35 -0.887 0.368 14.450
255 HA ASP 35 HA ASP 35 -1.686 1.575 16.726
256 1HB ASP 35 1HB ASP 35 -1.653 -1.072 15.633
257 2HB ASP 35 2HB ASP 35 -1.068 -1.217 17.278
258 H ASP 36 H ASP 36 -0.824 1.733 18.894
259 HA ASP 36 HA ASP 36 0.622 1.485 20.540
260 1HB ASP 36 1HB ASP 36 1.430 -0.649 19.074
261 2HB ASP 36 2HB ASP 36 2.840 0.365 18.840
262 H ASP 37 H ASP 37 2.188 2.058 17.303
263 HA ASP 37 HA ASP 37 4.066 3.866 18.309
264 1HB ASP 37 1HB ASP 37 2.978 3.223 15.548
265 2HB ASP 37 2HB ASP 37 4.103 4.549 15.757
266 H ALA 38 H ALA 38 3.236 5.716 19.361
267 HA ALA 38 HA ALA 38 0.828 6.960 18.569
268 1HB ALA 38 1HB ALA 38 1.797 8.794 20.136
269 2HB ALA 38 2HB ALA 38 1.448 7.193 20.832
270 3HB ALA 38 3HB ALA 38 3.122 7.641 20.424
271 H ALA 39 H ALA 39 4.290 7.408 17.783
272 HA ALA 39 HA ALA 39 4.126 9.931 16.645
273 1HB ALA 39 1HB ALA 39 6.240 9.384 15.650
274 2HB ALA 39 2HB ALA 39 6.182 8.543 17.218
275 3HB ALA 39 3HB ALA 39 5.891 7.640 15.712
276 H LEU 40 H LEU 40 3.744 6.650 15.140
277 HA LEU 40 HA LEU 40 3.157 7.694 12.589
278 1HB LEU 40 1HB LEU 40 2.582 4.992 13.812
279 2HB LEU 40 2HB LEU 40 2.418 5.385 12.112
280 HG LEU 40 HG LEU 40 5.034 5.623 13.617
281 1HD1 LEU 40 1HD1 LEU 40 5.342 3.437 12.012
282 2HD1 LEU 40 2HD1 LEU 40 4.974 3.386 13.753
283 3HD1 LEU 40 3HD1 LEU 40 3.660 3.243 12.561
284 1HD2 LEU 40 1HD2 LEU 40 4.465 6.822 11.327
285 2HD2 LEU 40 2HD2 LEU 40 6.053 6.076 11.625
286 3HD2 LEU 40 3HD2 LEU 40 4.828 5.210 10.666
287 H GLU 41 H GLU 41 1.187 6.766 15.444
288 HA GLU 41 HA GLU 41 -1.264 6.855 14.196
289 1HB GLU 41 1HB GLU 41 -0.382 7.359 17.058
290 2HB GLU 41 2HB GLU 41 -2.072 7.446 16.604
291 1HG GLU 41 1HG GLU 41 -0.717 5.026 15.561
292 2HG GLU 41 2HG GLU 41 -0.697 5.121 17.311
293 H SER 42 H SER 42 0.699 9.456 15.753
294 HA SER 42 HA SER 42 -1.300 11.403 15.384
295 1HB SER 42 1HB SER 42 1.158 11.201 16.753
296 2HB SER 42 2HB SER 42 1.434 12.457 15.562
297 HG SER 42 HG SER 42 -0.732 12.371 17.487
298 H ALA 43 H ALA 43 1.332 10.056 13.435
299 HA ALA 43 HA ALA 43 1.470 12.237 11.608
300 1HB ALA 43 1HB ALA 43 2.368 9.725 10.501
301 2HB ALA 43 2HB ALA 43 3.333 11.126 11.027
302 3HB ALA 43 3HB ALA 43 2.904 9.852 12.194
303 H TYR 44 H TYR 44 -0.154 9.007 11.696
304 HA TYR 44 HA TYR 44 -1.647 9.824 9.301
305 1HB TYR 44 1HB TYR 44 -1.254 7.107 10.701
306 2HB TYR 44 2HB TYR 44 -2.005 7.333 9.134
307 HD1 TYR 44 HD1 TYR 44 -0.439 8.617 7.358
308 HD2 TYR 44 HD2 TYR 44 0.962 6.421 10.753
309 HE1 TYR 44 HE1 TYR 44 1.825 8.316 6.239
310 HE2 TYR 44 HE2 TYR 44 3.220 6.128 9.622
311 HH TYR 44 HH TYR 44 3.995 7.823 6.678
312 H GLY 45 H GLY 45 -2.155 7.768 12.262
313 1HA GLY 45 1HA GLY 45 -3.917 7.575 13.641
314 2HA GLY 45 2HA GLY 45 -4.263 9.261 13.312
315 H LEU 46 H LEU 46 -5.631 9.829 11.435
316 HA LEU 46 HA LEU 46 -7.641 7.788 11.032
317 1HB LEU 46 1HB LEU 46 -7.496 10.692 11.022
318 2HB LEU 46 2HB LEU 46 -8.354 10.079 9.622
319 HG LEU 46 HG LEU 46 -9.881 10.595 11.450
320 1HD1 LEU 46 1HD1 LEU 46 -10.497 7.879 11.720
321 2HD1 LEU 46 2HD1 LEU 46 -11.107 9.012 10.490
322 3HD1 LEU 46 3HD1 LEU 46 -9.672 8.017 10.149
323 1HD2 LEU 46 1HD2 LEU 46 -8.746 8.355 13.103
324 2HD2 LEU 46 2HD2 LEU 46 -8.080 10.002 13.223
325 3HD2 LEU 46 3HD2 LEU 46 -9.797 9.707 13.589
326 H ARG 47 H ARG 47 -4.903 9.257 9.386
327 HA ARG 47 HA ARG 47 -5.837 8.310 6.843
328 1HB ARG 47 1HB ARG 47 -3.230 9.687 7.668
329 2HB ARG 47 2HB ARG 47 -3.654 9.298 6.013
330 1HG ARG 47 1HG ARG 47 -4.937 11.160 5.838
331 2HG ARG 47 2HG ARG 47 -5.878 10.703 7.244
332 1HD ARG 47 1HD ARG 47 -4.746 12.144 8.615
333 2HD ARG 47 2HD ARG 47 -3.184 11.669 7.978
334 HE ARG 47 HE ARG 47 -3.245 13.532 6.577
335 1HH1 ARG 47 2HH2 ARG 47 -6.539 12.731 7.520
336 2HH1 ARG 47 1HH2 ARG 47 -7.235 14.110 6.736
337 1HH2 ARG 47 2HH1 ARG 47 -4.163 15.352 5.542
338 2HH2 ARG 47 1HH1 ARG 47 -5.874 15.611 5.603
339 H VAL 48 H VAL 48 -5.447 6.277 8.869
340 HA VAL 48 HA VAL 48 -2.964 5.078 8.865
341 HB VAL 48 HB VAL 48 -5.780 4.238 9.326
342 1HG1 VAL 48 1HG1 VAL 48 -5.392 2.194 8.435
343 2HG1 VAL 48 2HG1 VAL 48 -3.624 2.388 8.483
344 3HG1 VAL 48 3HG1 VAL 48 -4.507 1.920 9.955
345 1HG2 VAL 48 1HG2 VAL 48 -5.152 4.598 11.433
346 2HG2 VAL 48 2HG2 VAL 48 -3.910 3.330 11.293
347 3HG2 VAL 48 3HG2 VAL 48 -3.514 5.015 10.874
348 HA PRO 49 HA PRO 49 -4.385 2.878 4.917
349 1HB PRO 49 1HB PRO 49 -6.524 3.854 3.525
350 2HB PRO 49 2HB PRO 49 -6.646 2.525 4.660
351 1HG PRO 49 1HG PRO 49 -7.506 5.333 4.996
352 2HG PRO 49 2HG PRO 49 -7.987 3.920 5.915
353 1HD PRO 49 1HD PRO 49 -6.135 5.951 6.735
354 2HD PRO 49 2HD PRO 49 -6.528 4.480 7.601
355 H VAL 50 H VAL 50 -2.317 4.096 4.755
356 HA VAL 50 HA VAL 50 -2.615 5.951 2.496
357 HB VAL 50 HB VAL 50 -0.976 6.145 5.004
358 1HG1 VAL 50 1HG1 VAL 50 -0.368 7.478 2.346
359 2HG1 VAL 50 2HG1 VAL 50 0.308 7.997 3.909
360 3HG1 VAL 50 3HG1 VAL 50 0.681 6.378 3.271
361 1HG2 VAL 50 1HG2 VAL 50 -3.280 7.250 4.632
362 2HG2 VAL 50 2HG2 VAL 50 -1.954 8.264 5.250
363 3HG2 VAL 50 3HG2 VAL 50 -2.419 8.355 3.535
364 H LEU 51 H LEU 51 -1.566 5.307 0.683
365 HA LEU 51 HA LEU 51 0.281 3.066 0.977
366 1HB LEU 51 1HB LEU 51 -1.840 3.568 -0.744
367 2HB LEU 51 2HB LEU 51 -0.424 3.873 -1.731
368 HG LEU 51 HG LEU 51 -1.091 1.315 -0.253
369 1HD1 LEU 51 1HD1 LEU 51 -1.118 2.119 -3.159
370 2HD1 LEU 51 2HD1 LEU 51 -0.998 0.417 -2.651
371 3HD1 LEU 51 3HD1 LEU 51 -2.414 1.388 -2.183
372 1HD2 LEU 51 1HD2 LEU 51 1.407 2.097 -1.765
373 2HD2 LEU 51 2HD2 LEU 51 1.264 1.532 -0.084
374 3HD2 LEU 51 3HD2 LEU 51 0.951 0.410 -1.430
375 H ARG 52 H ARG 52 2.430 3.423 0.953
376 HA ARG 52 HA ARG 52 3.279 5.890 -0.340
377 1HB ARG 52 1HB ARG 52 5.128 6.004 1.271
378 2HB ARG 52 2HB ARG 52 3.623 5.839 2.155
379 1HG ARG 52 1HG ARG 52 4.008 3.438 2.489
380 2HG ARG 52 2HG ARG 52 5.409 3.469 1.437
381 1HD ARG 52 1HD ARG 52 5.346 5.302 3.849
382 2HD ARG 52 2HD ARG 52 5.710 3.603 4.081
383 HE ARG 52 HE ARG 52 7.271 4.809 1.920
384 1HH1 ARG 52 2HH2 ARG 52 7.114 4.281 5.395
385 2HH1 ARG 52 1HH2 ARG 52 8.822 4.455 5.628
386 1HH2 ARG 52 2HH1 ARG 52 9.524 5.038 2.226
387 2HH2 ARG 52 1HH1 ARG 52 10.202 4.888 3.813
388 H ASP 53 H ASP 53 5.346 5.802 -1.529
389 HA ASP 53 HA ASP 53 5.946 3.071 -2.340
390 1HB ASP 53 1HB ASP 53 5.599 5.613 -3.779
391 2HB ASP 53 2HB ASP 53 7.135 4.867 -4.174
392 HA PRO 54 HA PRO 54 10.115 3.773 -1.153
393 1HB PRO 54 1HB PRO 54 11.641 2.680 -3.140
394 2HB PRO 54 2HB PRO 54 10.839 1.722 -1.910
395 1HG PRO 54 1HG PRO 54 10.101 2.086 -4.749
396 2HG PRO 54 2HG PRO 54 9.589 0.835 -3.633
397 1HD PRO 54 1HD PRO 54 8.056 3.103 -4.489
398 2HD PRO 54 2HD PRO 54 7.591 1.917 -3.286
399 H MET 55 H MET 55 9.293 4.996 -4.277
400 HA MET 55 HA MET 55 11.570 6.455 -4.741
401 1HB MET 55 1HB MET 55 8.636 6.701 -5.486
402 2HB MET 55 2HB MET 55 9.709 8.017 -5.921
403 1HG MET 55 1HG MET 55 10.559 5.191 -6.584
404 2HG MET 55 2HG MET 55 9.329 5.947 -7.576
405 1HE MET 55 1HE MET 55 12.512 5.043 -7.157
406 2HE MET 55 2HE MET 55 12.648 5.366 -8.902
407 3HE MET 55 3HE MET 55 13.666 6.262 -7.749
408 H GLY 56 H GLY 56 8.661 7.221 -2.766
409 1HA GLY 56 1HA GLY 56 9.220 8.569 -0.768
410 2HA GLY 56 2HA GLY 56 10.036 9.678 -1.852
411 H ARG 57 H ARG 57 6.878 7.915 -2.192
412 HA ARG 57 HA ARG 57 5.482 10.381 -1.859
413 1HB ARG 57 1HB ARG 57 4.271 9.982 -4.141
414 2HB ARG 57 2HB ARG 57 5.860 10.719 -4.181
415 1HG ARG 57 1HG ARG 57 6.741 8.237 -4.395
416 2HG ARG 57 2HG ARG 57 5.092 7.862 -4.854
417 1HD ARG 57 1HD ARG 57 6.022 8.329 -6.951
418 2HD ARG 57 2HD ARG 57 5.378 9.904 -6.532
419 HE ARG 57 HE ARG 57 8.081 9.609 -5.531
420 1HH1 ARG 57 2HH2 ARG 57 6.246 10.228 -8.469
421 2HH1 ARG 57 1HH2 ARG 57 7.531 11.095 -9.241
422 1HH2 ARG 57 2HH1 ARG 57 9.777 10.752 -6.549
423 2HH2 ARG 57 1HH1 ARG 57 9.553 11.395 -8.142
424 H GLU 58 H GLU 58 2.988 9.941 -2.141
425 HA GLU 58 HA GLU 58 2.396 7.137 -1.724
426 1HB GLU 58 1HB GLU 58 0.796 7.952 0.182
427 2HB GLU 58 2HB GLU 58 2.497 7.735 0.541
428 1HG GLU 58 1HG GLU 58 2.019 9.865 1.458
429 2HG GLU 58 2HG GLU 58 2.775 10.251 -0.075
430 H LEU 59 H LEU 59 -0.060 6.742 -1.821
431 HA LEU 59 HA LEU 59 -1.232 8.699 -3.673
432 1HB LEU 59 1HB LEU 59 -0.579 6.449 -4.593
433 2HB LEU 59 2HB LEU 59 -1.790 5.736 -3.545
434 HG LEU 59 HG LEU 59 -3.543 7.083 -4.679
435 1HD1 LEU 59 1HD1 LEU 59 -1.342 8.546 -5.665
436 2HD1 LEU 59 2HD1 LEU 59 -2.093 7.755 -7.071
437 3HD1 LEU 59 3HD1 LEU 59 -3.071 8.794 -6.007
438 1HD2 LEU 59 1HD2 LEU 59 -2.195 4.794 -5.611
439 2HD2 LEU 59 2HD2 LEU 59 -3.857 5.314 -5.979
440 3HD2 LEU 59 3HD2 LEU 59 -2.516 5.799 -7.045
441 H ASP 60 H ASP 60 -3.445 9.257 -3.406
442 HA ASP 60 HA ASP 60 -4.250 9.518 -0.815
443 1HB ASP 60 1HB ASP 60 -5.168 10.289 -3.357
444 2HB ASP 60 2HB ASP 60 -6.492 9.328 -2.730
445 H TRP 61 H TRP 61 -5.809 8.349 0.496
446 HA TRP 61 HA TRP 61 -5.800 5.636 0.401
447 1HB TRP 61 1HB TRP 61 -6.630 6.189 2.383
448 2HB TRP 61 2HB TRP 61 -7.279 7.708 1.800
449 HD1 TRP 61 HD1 TRP 61 -9.809 7.701 2.452
450 HE1 TRP 61 HE1 TRP 61 -11.886 6.079 2.300
451 HE3 TRP 61 HE3 TRP 61 -7.234 3.723 0.608
452 HZ2 TRP 61 HZ2 TRP 61 -12.211 3.376 1.446
453 HZ3 TRP 61 HZ3 TRP 61 -8.506 1.630 0.143
454 HH2 TRP 61 HH2 TRP 61 -10.910 1.418 0.532
455 HA PRO 62 HA PRO 62 -9.771 5.830 -2.184
456 1HB PRO 62 1HB PRO 62 -10.681 8.221 -3.144
457 2HB PRO 62 2HB PRO 62 -11.273 7.495 -1.664
458 1HG PRO 62 1HG PRO 62 -9.430 9.783 -1.998
459 2HG PRO 62 2HG PRO 62 -10.356 9.316 -0.585
460 1HD PRO 62 1HD PRO 62 -7.549 8.910 -1.008
461 2HD PRO 62 2HD PRO 62 -8.497 8.342 0.352
462 H PHE 63 H PHE 63 -9.081 4.686 -3.877
463 HA PHE 63 HA PHE 63 -8.238 6.259 -6.143
464 1HB PHE 63 1HB PHE 63 -6.249 4.412 -6.210
465 2HB PHE 63 2HB PHE 63 -6.037 5.926 -5.354
466 HD1 PHE 63 HD1 PHE 63 -4.534 5.285 -3.668
467 HD2 PHE 63 HD2 PHE 63 -8.087 3.039 -4.248
468 HE1 PHE 63 HE1 PHE 63 -4.082 4.023 -1.546
469 HE2 PHE 63 HE2 PHE 63 -7.635 1.777 -2.126
470 HZ PHE 63 HZ PHE 63 -5.638 2.284 -0.800
471 H ASP 64 H ASP 64 -7.328 4.267 -7.826
472 HA ASP 64 HA ASP 64 -9.447 2.274 -7.682
473 1HB ASP 64 1HB ASP 64 -8.434 3.520 -10.272
474 2HB ASP 64 2HB ASP 64 -9.829 2.479 -10.072
475 H ALA 65 H ALA 65 -8.767 0.702 -9.881
476 HA ALA 65 HA ALA 65 -6.301 -0.461 -9.020
477 1HB ALA 65 1HB ALA 65 -7.521 -1.424 -11.531
478 2HB ALA 65 2HB ALA 65 -7.135 -2.307 -10.034
479 3HB ALA 65 3HB ALA 65 -8.646 -1.375 -10.153
480 HA PRO 66 HA PRO 66 -5.015 1.162 -13.279
481 1HB PRO 66 1HB PRO 66 -6.623 2.922 -14.614
482 2HB PRO 66 2HB PRO 66 -6.627 1.197 -14.922
483 1HG PRO 66 1HG PRO 66 -8.618 2.824 -13.462
484 2HG PRO 66 2HG PRO 66 -8.798 1.218 -14.141
485 1HD PRO 66 1HD PRO 66 -8.431 1.880 -11.375
486 2HD PRO 66 2HD PRO 66 -8.495 0.272 -12.068
487 H ARG 67 H ARG 67 -6.546 3.187 -10.994
488 HA ARG 67 HA ARG 67 -4.945 5.425 -11.725
489 1HB ARG 67 1HB ARG 67 -7.351 5.162 -10.421
490 2HB ARG 67 2HB ARG 67 -6.285 5.347 -9.042
491 1HG ARG 67 1HG ARG 67 -5.510 7.494 -9.777
492 2HG ARG 67 2HG ARG 67 -6.109 7.251 -11.406
493 1HD ARG 67 1HD ARG 67 -8.345 6.978 -9.595
494 2HD ARG 67 2HD ARG 67 -7.481 8.440 -9.163
495 HE ARG 67 HE ARG 67 -7.854 8.198 -12.046
496 1HH1 ARG 67 2HH2 ARG 67 -9.402 9.205 -9.050
497 2HH1 ARG 67 1HH2 ARG 67 -10.488 10.305 -9.832
498 1HH2 ARG 67 2HH1 ARG 67 -9.287 9.648 -13.078
499 2HH2 ARG 67 1HH1 ARG 67 -10.423 10.559 -12.138
500 H LEU 68 H LEU 68 -4.924 2.745 -9.369
501 HA LEU 68 HA LEU 68 -2.822 3.902 -7.795
502 1HB LEU 68 1HB LEU 68 -4.657 2.415 -6.943
503 2HB LEU 68 2HB LEU 68 -3.891 1.080 -7.780
504 HG LEU 68 HG LEU 68 -1.821 2.181 -6.272
505 1HD1 LEU 68 1HD1 LEU 68 -4.062 3.268 -5.147
506 2HD1 LEU 68 2HD1 LEU 68 -3.855 1.786 -4.183
507 3HD1 LEU 68 3HD1 LEU 68 -2.528 2.967 -4.296
508 1HD2 LEU 68 1HD2 LEU 68 -3.447 -0.081 -5.178
509 2HD2 LEU 68 2HD2 LEU 68 -2.676 -0.256 -6.772
510 3HD2 LEU 68 3HD2 LEU 68 -1.683 0.092 -5.337
511 H ARG 69 H ARG 69 -3.181 1.497 -10.435
512 HA ARG 69 HA ARG 69 -0.543 0.611 -10.277
513 1HB ARG 69 1HB ARG 69 -2.291 -0.695 -11.424
514 2HB ARG 69 2HB ARG 69 -2.558 0.596 -12.578
515 1HG ARG 69 1HG ARG 69 -1.160 -0.875 -13.780
516 2HG ARG 69 2HG ARG 69 -0.024 0.316 -13.180
517 1HD ARG 69 1HD ARG 69 0.111 -1.367 -11.084
518 2HD ARG 69 2HD ARG 69 -0.447 -2.532 -12.268
519 HE ARG 69 HE ARG 69 1.640 -1.180 -13.550
520 1HH1 ARG 69 2HH2 ARG 69 1.299 -3.037 -10.580
521 2HH1 ARG 69 1HH2 ARG 69 2.941 -3.587 -10.584
522 1HH2 ARG 69 2HH1 ARG 69 3.806 -1.906 -13.556
523 2HH2 ARG 69 1HH1 ARG 69 4.377 -2.940 -12.289
524 H ALA 70 H ALA 70 -2.240 3.038 -12.376
525 HA ALA 70 HA ALA 70 -0.073 3.721 -13.962
526 1HB ALA 70 1HB ALA 70 -1.369 5.778 -14.402
527 2HB ALA 70 2HB ALA 70 -2.420 4.342 -14.407
528 3HB ALA 70 3HB ALA 70 -2.404 5.428 -12.997
529 H TRP 71 H TRP 71 -0.946 4.611 -10.626
530 HA TRP 71 HA TRP 71 0.884 6.788 -10.480
531 1HB TRP 71 1HB TRP 71 -1.039 6.763 -9.059
532 2HB TRP 71 2HB TRP 71 -0.615 5.196 -8.398
533 HD1 TRP 71 HD1 TRP 71 0.653 8.870 -8.288
534 HE1 TRP 71 HE1 TRP 71 2.015 9.325 -6.074
535 HE3 TRP 71 HE3 TRP 71 0.593 4.060 -6.640
536 HZ2 TRP 71 HZ2 TRP 71 2.894 7.660 -3.930
537 HZ3 TRP 71 HZ3 TRP 71 1.726 3.560 -4.477
538 HH2 TRP 71 HH2 TRP 71 2.849 5.266 -3.135
539 H LEU 72 H LEU 72 0.893 3.260 -9.794
540 HA LEU 72 HA LEU 72 3.328 3.191 -8.425
541 1HB LEU 72 1HB LEU 72 1.761 1.161 -10.000
542 2HB LEU 72 2HB LEU 72 3.292 0.765 -9.245
543 HG LEU 72 HG LEU 72 0.964 1.908 -7.691
544 1HD1 LEU 72 1HD1 LEU 72 -0.004 -0.046 -8.473
545 2HD1 LEU 72 2HD1 LEU 72 1.538 -0.935 -8.481
546 3HD1 LEU 72 3HD1 LEU 72 0.731 -0.566 -6.938
547 1HD2 LEU 72 1HD2 LEU 72 3.217 2.093 -6.680
548 2HD2 LEU 72 2HD2 LEU 72 2.114 1.052 -5.748
549 3HD2 LEU 72 3HD2 LEU 72 3.376 0.323 -6.770
550 H ASP 73 H ASP 73 2.500 2.925 -11.930
551 HA ASP 73 HA ASP 73 5.179 2.480 -12.661
552 1HB ASP 73 1HB ASP 73 2.566 2.738 -13.949
553 2HB ASP 73 2HB ASP 73 3.772 3.627 -14.859
554 H ALA 74 H ALA 74 3.533 5.183 -11.439
555 HA ALA 74 HA ALA 74 4.951 7.131 -13.073
556 1HB ALA 74 1HB ALA 74 2.465 7.027 -11.656
557 2HB ALA 74 2HB ALA 74 3.464 8.298 -10.912
558 3HB ALA 74 3HB ALA 74 3.112 8.349 -12.656
559 H ALA 75 H ALA 75 5.244 5.326 -10.116
560 HA ALA 75 HA ALA 75 6.553 7.107 -8.470
561 1HB ALA 75 1HB ALA 75 6.638 5.261 -7.190
562 2HB ALA 75 2HB ALA 75 5.944 4.353 -8.555
563 3HB ALA 75 3HB ALA 75 7.710 4.443 -8.351
564 HA PRO 76 HA PRO 76 10.535 5.919 -10.726
565 1HB PRO 76 1HB PRO 76 10.440 4.416 -13.007
566 2HB PRO 76 2HB PRO 76 10.733 3.732 -11.420
567 1HG PRO 76 1HG PRO 76 8.273 3.631 -13.056
568 2HG PRO 76 2HG PRO 76 8.729 2.624 -11.697
569 1HD PRO 76 1HD PRO 76 6.843 4.785 -11.675
570 2HD PRO 76 2HD PRO 76 7.386 3.854 -10.293
571 H HIS 77 H HIS 77 11.562 6.173 -13.219
572 HA HIS 77 HA HIS 77 10.013 8.449 -14.222
573 1HB HIS 77 1HB HIS 77 12.752 8.333 -13.231
574 2HB HIS 77 2HB HIS 77 12.690 8.926 -14.879
575 HD1 HIS 77 HD1 HIS 77 10.182 10.657 -14.889
576 HD2 HIS 77 HD2 HIS 77 12.903 10.585 -11.698
577 HE1 HIS 77 HE1 HIS 77 9.873 12.859 -13.636
578 H ALA 78 H ALA 78 10.004 5.545 -14.967
579 HA ALA 78 HA ALA 78 9.983 4.303 -16.797
580 1HB ALA 78 1HB ALA 78 8.765 5.548 -18.228
581 2HB ALA 78 2HB ALA 78 9.563 7.052 -17.708
582 3HB ALA 78 3HB ALA 78 10.307 6.039 -18.969
Start of MODEL 12
1 1H MET 1 1H MET 1 12.529 -4.566 1.543
2 HA MET 1 HA MET 1 13.363 -3.025 0.035
3 1HB MET 1 1HB MET 1 13.279 -5.899 -0.666
4 2HB MET 1 2HB MET 1 13.542 -4.905 -2.084
5 1HG MET 1 1HG MET 1 15.177 -4.000 0.197
6 2HG MET 1 2HG MET 1 15.494 -5.676 -0.203
7 1HE MET 1 1HE MET 1 17.229 -6.096 -1.126
8 2HE MET 1 2HE MET 1 17.664 -5.780 -2.823
9 3HE MET 1 3HE MET 1 18.326 -4.754 -1.529
10 H ALA 2 H ALA 2 10.171 -3.678 -0.320
11 HA ALA 2 HA ALA 2 10.063 -2.434 -2.983
12 1HB ALA 2 1HB ALA 2 8.320 -3.811 -3.562
13 2HB ALA 2 2HB ALA 2 9.128 -4.894 -2.403
14 3HB ALA 2 3HB ALA 2 7.719 -3.934 -1.891
15 H LEU 3 H LEU 3 7.051 -2.161 -2.434
16 HA LEU 3 HA LEU 3 7.289 0.403 -1.147
17 1HB LEU 3 1HB LEU 3 4.894 0.598 -1.769
18 2HB LEU 3 2HB LEU 3 5.995 0.348 -3.110
19 HG LEU 3 HG LEU 3 5.127 -2.229 -2.344
20 1HD1 LEU 3 1HD1 LEU 3 2.572 -1.025 -2.987
21 2HD1 LEU 3 2HD1 LEU 3 3.010 -2.149 -1.678
22 3HD1 LEU 3 3HD1 LEU 3 3.214 -0.396 -1.451
23 1HD2 LEU 3 1HD2 LEU 3 5.649 -1.836 -4.583
24 2HD2 LEU 3 2HD2 LEU 3 3.879 -2.026 -4.587
25 3HD2 LEU 3 3HD2 LEU 3 4.600 -0.401 -4.679
26 H THR 4 H THR 4 4.991 0.789 0.254
27 HA THR 4 HA THR 4 4.641 -1.404 2.116
28 HB THR 4 HB THR 4 5.922 1.274 2.874
29 HG1 THR 4 HG1 THR 4 7.692 -0.084 3.023
30 1HG2 THR 4 1HG2 THR 4 5.499 -1.022 4.794
31 2HG2 THR 4 2HG2 THR 4 5.681 0.714 5.142
32 3HG2 THR 4 3HG2 THR 4 4.138 0.089 4.510
33 H LEU 5 H LEU 5 2.644 -1.422 3.052
34 HA LEU 5 HA LEU 5 1.004 0.957 2.517
35 1HB LEU 5 1HB LEU 5 0.180 -0.528 0.974
36 2HB LEU 5 2HB LEU 5 0.496 -1.932 1.973
37 HG LEU 5 HG LEU 5 -1.382 -0.865 3.510
38 1HD1 LEU 5 1HD1 LEU 5 -1.381 1.037 1.550
39 2HD1 LEU 5 2HD1 LEU 5 -2.702 -0.030 1.017
40 3HD1 LEU 5 3HD1 LEU 5 -2.741 0.691 2.644
41 1HD2 LEU 5 1HD2 LEU 5 -1.240 -2.978 1.757
42 2HD2 LEU 5 2HD2 LEU 5 -2.588 -2.632 2.866
43 3HD2 LEU 5 3HD2 LEU 5 -2.665 -2.085 1.174
44 H TYR 6 H TYR 6 0.850 1.948 4.475
45 HA TYR 6 HA TYR 6 1.034 0.582 6.916
46 1HB TYR 6 1HB TYR 6 -0.154 3.263 5.976
47 2HB TYR 6 2HB TYR 6 0.034 2.875 7.674
48 HD1 TYR 6 HD1 TYR 6 1.496 4.573 5.015
49 HD2 TYR 6 HD2 TYR 6 2.544 2.006 8.274
50 HE1 TYR 6 HE1 TYR 6 3.877 5.465 4.962
51 HE2 TYR 6 HE2 TYR 6 4.921 2.907 8.210
52 HH TYR 6 HH TYR 6 5.803 5.505 5.965
53 H GLN 7 H GLN 7 -0.491 -0.238 8.337
54 HA GLN 7 HA GLN 7 -3.266 0.187 7.668
55 1HB GLN 7 1HB GLN 7 -3.822 -2.181 7.660
56 2HB GLN 7 2HB GLN 7 -2.572 -1.900 6.465
57 1HG GLN 7 1HG GLN 7 -0.837 -2.724 8.000
58 2HG GLN 7 2HG GLN 7 -1.995 -2.847 9.310
59 1HE2 GLN 7 1HE2 GLN 7 -0.255 -4.736 7.601
60 2HE2 GLN 7 2HE2 GLN 7 -1.305 -6.056 7.208
61 H ARG 8 H ARG 8 -4.695 -0.929 9.489
62 HA ARG 8 HA ARG 8 -3.296 -1.214 11.956
63 1HB ARG 8 1HB ARG 8 -3.826 1.345 11.491
64 2HB ARG 8 2HB ARG 8 -5.472 0.906 11.902
65 1HG ARG 8 1HG ARG 8 -3.500 -0.168 13.826
66 2HG ARG 8 2HG ARG 8 -3.451 1.580 13.720
67 1HD ARG 8 1HD ARG 8 -5.646 1.836 14.507
68 2HD ARG 8 2HD ARG 8 -6.166 0.278 13.897
69 HE ARG 8 HE ARG 8 -4.167 -0.099 15.939
70 1HH1 ARG 8 2HH2 ARG 8 -7.542 0.805 15.527
71 2HH1 ARG 8 1HH2 ARG 8 -8.014 0.257 17.101
72 1HH2 ARG 8 2HH1 ARG 8 -4.788 -0.822 18.016
73 2HH2 ARG 8 1HH1 ARG 8 -6.437 -0.675 18.526
74 H ASP 9 H ASP 9 -5.137 -1.473 13.815
75 HA ASP 9 HA ASP 9 -6.500 -3.682 13.373
76 1HB ASP 9 1HB ASP 9 -6.303 -2.162 15.502
77 2HB ASP 9 2HB ASP 9 -7.795 -1.427 14.951
78 H ASP 10 H ASP 10 -7.594 -0.304 12.683
79 HA ASP 10 HA ASP 10 -10.186 -0.706 12.109
80 1HB ASP 10 1HB ASP 10 -8.609 1.419 11.948
81 2HB ASP 10 2HB ASP 10 -8.465 0.973 10.260
82 H CYS 11 H CYS 11 -11.182 -2.133 10.678
83 HA CYS 11 HA CYS 11 -9.588 -3.141 8.469
84 1HB CYS 11 1HB CYS 11 -12.081 -4.114 9.861
85 2HB CYS 11 2HB CYS 11 -11.651 -4.718 8.273
86 HG CYS 11 HG CYS 11 -10.552 -5.380 11.157
87 H HIS 12 H HIS 12 -11.436 -3.743 6.538
88 HA HIS 12 HA HIS 12 -12.753 -2.959 4.960
89 1HB HIS 12 1HB HIS 12 -13.505 -0.626 6.731
90 2HB HIS 12 2HB HIS 12 -14.401 -1.272 5.371
91 HD1 HIS 12 HD1 HIS 12 -14.813 -1.142 8.792
92 HD2 HIS 12 HD2 HIS 12 -14.750 -4.375 6.119
93 HE1 HIS 12 HE1 HIS 12 -16.049 -3.050 9.949
94 H LEU 13 H LEU 13 -11.488 0.040 6.592
95 HA LEU 13 HA LEU 13 -10.954 1.408 4.262
96 1HB LEU 13 1HB LEU 13 -10.807 1.905 6.933
97 2HB LEU 13 2HB LEU 13 -9.106 1.861 6.513
98 HG LEU 13 HG LEU 13 -9.565 3.564 4.723
99 1HD1 LEU 13 1HD1 LEU 13 -12.130 2.925 4.850
100 2HD1 LEU 13 2HD1 LEU 13 -12.154 4.239 6.050
101 3HD1 LEU 13 3HD1 LEU 13 -11.594 4.558 4.391
102 1HD2 LEU 13 1HD2 LEU 13 -8.552 4.386 6.668
103 2HD2 LEU 13 2HD2 LEU 13 -9.947 5.459 6.403
104 3HD2 LEU 13 3HD2 LEU 13 -10.030 4.180 7.638
105 H CYS 14 H CYS 14 -8.864 -0.851 6.155
106 HA CYS 14 HA CYS 14 -6.684 -0.507 4.363
107 1HB CYS 14 1HB CYS 14 -6.188 -1.071 6.641
108 2HB CYS 14 2HB CYS 14 -7.225 -2.483 6.596
109 HG CYS 14 HG CYS 14 -4.691 -1.964 4.533
110 H ASP 15 H ASP 15 -9.288 -2.950 4.958
111 HA ASP 15 HA ASP 15 -8.490 -4.889 3.264
112 1HB ASP 15 1HB ASP 15 -11.274 -3.812 3.875
113 2HB ASP 15 2HB ASP 15 -11.037 -5.252 2.905
114 H GLN 16 H GLN 16 -10.602 -2.006 2.551
115 HA GLN 16 HA GLN 16 -10.939 -2.549 -0.131
116 1HB GLN 16 1HB GLN 16 -11.288 -0.202 1.672
117 2HB GLN 16 2HB GLN 16 -11.111 0.193 -0.026
118 1HG GLN 16 1HG GLN 16 -12.881 -1.805 -0.329
119 2HG GLN 16 2HG GLN 16 -13.273 -1.416 1.334
120 1HE2 GLN 16 1HE2 GLN 16 -13.434 1.018 1.769
121 2HE2 GLN 16 2HE2 GLN 16 -14.370 1.948 0.647
122 H ALA 17 H ALA 17 -8.239 -1.131 1.666
123 HA ALA 17 HA ALA 17 -7.012 0.136 -0.549
124 1HB ALA 17 1HB ALA 17 -5.162 0.439 0.959
125 2HB ALA 17 2HB ALA 17 -6.653 0.617 1.917
126 3HB ALA 17 3HB ALA 17 -5.716 -0.894 2.001
127 H VAL 18 H VAL 18 -6.520 -3.040 1.138
128 HA VAL 18 HA VAL 18 -4.462 -3.901 -0.541
129 HB VAL 18 HB VAL 18 -6.493 -5.378 1.138
130 1HG1 VAL 18 1HG1 VAL 18 -5.397 -6.708 -0.788
131 2HG1 VAL 18 2HG1 VAL 18 -3.896 -6.565 0.158
132 3HG1 VAL 18 3HG1 VAL 18 -5.313 -7.384 0.856
133 1HG2 VAL 18 1HG2 VAL 18 -4.086 -3.888 1.732
134 2HG2 VAL 18 2HG2 VAL 18 -5.259 -4.636 2.842
135 3HG2 VAL 18 3HG2 VAL 18 -3.897 -5.592 2.210
136 H GLU 19 H GLU 19 -8.042 -4.096 -0.763
137 HA GLU 19 HA GLU 19 -8.182 -5.903 -2.818
138 1HB GLU 19 1HB GLU 19 -9.974 -4.363 -1.353
139 2HB GLU 19 2HB GLU 19 -10.163 -3.706 -2.967
140 1HG GLU 19 1HG GLU 19 -10.030 -6.668 -2.925
141 2HG GLU 19 2HG GLU 19 -11.379 -6.027 -2.008
142 H ALA 20 H ALA 20 -7.976 -2.281 -2.943
143 HA ALA 20 HA ALA 20 -8.073 -2.048 -5.706
144 1HB ALA 20 1HB ALA 20 -6.849 -0.376 -3.490
145 2HB ALA 20 2HB ALA 20 -6.822 0.141 -5.193
146 3HB ALA 20 3HB ALA 20 -8.377 -0.110 -4.364
147 H LEU 21 H LEU 21 -5.368 -2.763 -3.454
148 HA LEU 21 HA LEU 21 -3.305 -2.439 -5.304
149 1HB LEU 21 1HB LEU 21 -3.691 -3.518 -2.626
150 2HB LEU 21 2HB LEU 21 -2.495 -4.421 -3.535
151 HG LEU 21 HG LEU 21 -2.205 -1.479 -3.675
152 1HD1 LEU 21 1HD1 LEU 21 -1.706 -1.000 -1.511
153 2HD1 LEU 21 2HD1 LEU 21 -2.939 -2.253 -1.231
154 3HD1 LEU 21 3HD1 LEU 21 -1.211 -2.667 -1.132
155 1HD2 LEU 21 1HD2 LEU 21 0.182 -2.587 -2.860
156 2HD2 LEU 21 2HD2 LEU 21 -0.559 -3.895 -3.813
157 3HD2 LEU 21 3HD2 LEU 21 -0.316 -2.290 -4.543
158 H ALA 22 H ALA 22 -5.043 -5.450 -4.238
159 HA ALA 22 HA ALA 22 -3.782 -7.167 -5.990
160 1HB ALA 22 1HB ALA 22 -6.355 -7.093 -4.465
161 2HB ALA 22 2HB ALA 22 -6.203 -8.316 -5.750
162 3HB ALA 22 3HB ALA 22 -5.029 -8.279 -4.412
163 H GLN 23 H GLN 23 -6.760 -5.157 -6.429
164 HA GLN 23 HA GLN 23 -7.410 -6.112 -8.918
165 1HB GLN 23 1HB GLN 23 -7.924 -3.542 -7.428
166 2HB GLN 23 2HB GLN 23 -8.376 -3.625 -9.119
167 1HG GLN 23 1HG GLN 23 -9.291 -6.068 -7.998
168 2HG GLN 23 2HG GLN 23 -9.676 -4.850 -6.798
169 1HE2 GLN 23 1HE2 GLN 23 -11.811 -5.844 -7.676
170 2HE2 GLN 23 2HE2 GLN 23 -12.625 -4.924 -8.897
171 H ALA 24 H ALA 24 -5.158 -3.479 -7.924
172 HA ALA 24 HA ALA 24 -4.597 -2.739 -10.629
173 1HB ALA 24 1HB ALA 24 -4.126 -0.912 -9.379
174 2HB ALA 24 2HB ALA 24 -3.920 -1.872 -7.894
175 3HB ALA 24 3HB ALA 24 -2.572 -1.713 -9.045
176 H ARG 25 H ARG 25 -3.934 -5.501 -8.889
177 HA ARG 25 HA ARG 25 -2.436 -7.063 -8.963
178 1HB ARG 25 1HB ARG 25 -2.501 -5.975 -11.752
179 2HB ARG 25 2HB ARG 25 -1.135 -7.014 -11.394
180 1HG ARG 25 1HG ARG 25 -3.395 -8.319 -10.255
181 2HG ARG 25 2HG ARG 25 -3.934 -7.738 -11.818
182 1HD ARG 25 1HD ARG 25 -1.657 -8.748 -12.709
183 2HD ARG 25 2HD ARG 25 -1.651 -9.643 -11.202
184 HE ARG 25 HE ARG 25 -3.391 -10.115 -13.483
185 1HH1 ARG 25 2HH2 ARG 25 -3.202 -10.378 -9.979
186 2HH1 ARG 25 1HH2 ARG 25 -4.370 -11.654 -9.884
187 1HH2 ARG 25 2HH1 ARG 25 -4.932 -11.798 -13.358
188 2HH2 ARG 25 1HH1 ARG 25 -5.361 -12.467 -11.819
189 H ALA 26 H ALA 26 -1.503 -4.689 -7.687
190 HA ALA 26 HA ALA 26 0.844 -3.602 -8.536
191 1HB ALA 26 1HB ALA 26 0.190 -4.413 -5.677
192 2HB ALA 26 2HB ALA 26 1.228 -3.068 -6.207
193 3HB ALA 26 3HB ALA 26 -0.526 -3.008 -6.502
194 H GLY 27 H GLY 27 0.664 -6.358 -6.166
195 1HA GLY 27 1HA GLY 27 1.951 -8.367 -7.045
196 2HA GLY 27 2HA GLY 27 3.288 -7.244 -7.189
197 H ALA 28 H ALA 28 4.712 -7.855 -5.587
198 HA ALA 28 HA ALA 28 3.631 -8.484 -2.960
199 1HB ALA 28 1HB ALA 28 5.225 -10.070 -3.433
200 2HB ALA 28 2HB ALA 28 6.166 -8.973 -4.473
201 3HB ALA 28 3HB ALA 28 6.286 -8.842 -2.702
202 H PHE 29 H PHE 29 4.479 -7.425 -1.018
203 HA PHE 29 HA PHE 29 6.060 -5.088 -1.272
204 1HB PHE 29 1HB PHE 29 4.152 -3.561 -0.499
205 2HB PHE 29 2HB PHE 29 3.936 -4.164 -2.131
206 HD1 PHE 29 HD1 PHE 29 2.875 -4.655 1.380
207 HD2 PHE 29 HD2 PHE 29 2.057 -5.479 -2.702
208 HE1 PHE 29 HE1 PHE 29 0.625 -5.568 2.015
209 HE2 PHE 29 HE2 PHE 29 -0.193 -6.392 -2.067
210 HZ PHE 29 HZ PHE 29 -0.882 -6.425 0.284
211 H PHE 30 H PHE 30 5.411 -3.707 1.026
212 HA PHE 30 HA PHE 30 5.592 -5.815 3.063
213 1HB PHE 30 1HB PHE 30 6.831 -3.027 2.720
214 2HB PHE 30 2HB PHE 30 6.857 -3.844 4.270
215 HD1 PHE 30 HD1 PHE 30 8.812 -4.931 4.788
216 HD2 PHE 30 HD2 PHE 30 7.662 -4.677 0.711
217 HE1 PHE 30 HE1 PHE 30 10.914 -6.130 4.121
218 HE2 PHE 30 HE2 PHE 30 9.764 -5.876 0.044
219 HZ PHE 30 HZ PHE 30 11.365 -6.588 1.757
220 H SER 31 H SER 31 4.652 -5.336 5.179
221 HA SER 31 HA SER 31 2.637 -3.234 5.000
222 1HB SER 31 1HB SER 31 2.306 -6.097 5.410
223 2HB SER 31 2HB SER 31 1.715 -5.229 6.813
224 HG SER 31 HG SER 31 0.011 -5.411 5.305
225 H VAL 32 H VAL 32 2.336 -1.963 6.889
226 HA VAL 32 HA VAL 32 3.983 -2.706 9.194
227 HB VAL 32 HB VAL 32 3.874 -0.009 7.830
228 1HG1 VAL 32 1HG1 VAL 32 5.347 0.810 9.564
229 2HG1 VAL 32 2HG1 VAL 32 3.883 0.139 10.321
230 3HG1 VAL 32 3HG1 VAL 32 5.400 -0.793 10.335
231 1HG2 VAL 32 1HG2 VAL 32 6.204 -1.912 8.249
232 2HG2 VAL 32 2HG2 VAL 32 5.332 -1.667 6.717
233 3HG2 VAL 32 3HG2 VAL 32 6.260 -0.329 7.437
234 H PHE 33 H PHE 33 3.022 -2.310 11.182
235 HA PHE 33 HA PHE 33 0.263 -1.363 11.002
236 1HB PHE 33 1HB PHE 33 1.738 -2.724 13.324
237 2HB PHE 33 2HB PHE 33 0.004 -2.663 13.077
238 HD1 PHE 33 HD1 PHE 33 3.081 -4.390 12.256
239 HD2 PHE 33 HD2 PHE 33 -1.043 -4.058 11.313
240 HE1 PHE 33 HE1 PHE 33 3.169 -6.609 11.086
241 HE2 PHE 33 HE2 PHE 33 -0.955 -6.277 10.143
242 HZ PHE 33 HZ PHE 33 1.151 -7.526 10.043
243 H ILE 34 H ILE 34 -0.137 0.707 11.606
244 HA ILE 34 HA ILE 34 1.840 2.224 12.959
245 HB ILE 34 HB ILE 34 0.334 4.040 12.736
246 1HG1 ILE 34 1HG1 ILE 34 -1.928 2.336 11.760
247 2HG1 ILE 34 2HG1 ILE 34 -1.667 2.471 13.487
248 1HG2 ILE 34 1HG2 ILE 34 -0.206 2.391 10.272
249 2HG2 ILE 34 2HG2 ILE 34 0.105 4.138 10.412
250 3HG2 ILE 34 3HG2 ILE 34 1.428 2.975 10.670
251 1HD1 ILE 34 1HD1 ILE 34 -3.235 4.216 12.683
252 2HD1 ILE 34 2HD1 ILE 34 -1.747 4.951 13.327
253 3HD1 ILE 34 3HD1 ILE 34 -1.988 4.826 11.568
254 H ASP 35 H ASP 35 -0.518 -0.043 13.987
255 HA ASP 35 HA ASP 35 -1.585 0.957 16.219
256 1HB ASP 35 1HB ASP 35 -1.835 -1.283 16.969
257 2HB ASP 35 2HB ASP 35 -1.720 -1.426 15.226
258 H ASP 36 H ASP 36 -0.898 0.526 18.607
259 HA ASP 36 HA ASP 36 0.454 1.079 20.224
260 1HB ASP 36 1HB ASP 36 1.245 -1.314 19.343
261 2HB ASP 36 2HB ASP 36 2.700 -0.450 18.888
262 H ASP 37 H ASP 37 0.410 3.187 18.489
263 HA ASP 37 HA ASP 37 2.903 4.373 18.888
264 1HB ASP 37 1HB ASP 37 2.925 2.831 16.612
265 2HB ASP 37 2HB ASP 37 2.322 4.338 15.952
266 H ALA 38 H ALA 38 1.714 6.153 19.724
267 HA ALA 38 HA ALA 38 -0.635 7.119 18.484
268 1HB ALA 38 1HB ALA 38 0.099 9.147 20.085
269 2HB ALA 38 2HB ALA 38 -0.590 7.635 20.725
270 3HB ALA 38 3HB ALA 38 1.171 7.888 20.744
271 H ALA 39 H ALA 39 2.853 7.844 18.232
272 HA ALA 39 HA ALA 39 2.678 10.310 16.979
273 1HB ALA 39 1HB ALA 39 4.789 8.372 16.124
274 2HB ALA 39 2HB ALA 39 4.942 10.052 16.691
275 3HB ALA 39 3HB ALA 39 4.678 8.738 17.862
276 H LEU 40 H LEU 40 2.744 6.962 15.585
277 HA LEU 40 HA LEU 40 2.513 7.866 12.925
278 1HB LEU 40 1HB LEU 40 1.861 5.180 14.144
279 2HB LEU 40 2HB LEU 40 2.028 5.514 12.432
280 HG LEU 40 HG LEU 40 4.255 5.867 14.456
281 1HD1 LEU 40 1HD1 LEU 40 5.196 3.786 13.538
282 2HD1 LEU 40 2HD1 LEU 40 3.632 3.523 14.347
283 3HD1 LEU 40 3HD1 LEU 40 3.721 3.556 12.570
284 1HD2 LEU 40 1HD2 LEU 40 4.946 5.489 11.633
285 2HD2 LEU 40 2HD2 LEU 40 4.022 6.976 11.951
286 3HD2 LEU 40 3HD2 LEU 40 5.546 6.672 12.820
287 H GLU 41 H GLU 41 0.169 6.948 15.483
288 HA GLU 41 HA GLU 41 -2.051 6.859 13.839
289 1HB GLU 41 1HB GLU 41 -1.640 7.373 16.796
290 2HB GLU 41 2HB GLU 41 -3.247 7.473 16.104
291 1HG GLU 41 1HG GLU 41 -1.617 5.051 15.387
292 2HG GLU 41 2HG GLU 41 -2.193 5.151 17.039
293 H SER 42 H SER 42 -0.524 9.573 15.670
294 HA SER 42 HA SER 42 -2.533 11.402 14.930
295 1HB SER 42 1HB SER 42 -0.354 11.344 16.719
296 2HB SER 42 2HB SER 42 0.065 12.607 15.579
297 HG SER 42 HG SER 42 -2.082 12.479 17.438
298 H ALA 43 H ALA 43 0.478 10.203 13.500
299 HA ALA 43 HA ALA 43 0.786 12.386 11.684
300 1HB ALA 43 1HB ALA 43 2.824 11.412 11.883
301 2HB ALA 43 2HB ALA 43 2.134 9.848 12.376
302 3HB ALA 43 3HB ALA 43 2.225 10.276 10.651
303 H TYR 44 H TYR 44 -0.593 9.050 11.591
304 HA TYR 44 HA TYR 44 -1.687 9.712 8.942
305 1HB TYR 44 1HB TYR 44 -1.185 7.056 10.427
306 2HB TYR 44 2HB TYR 44 -1.789 7.171 8.786
307 HD1 TYR 44 HD1 TYR 44 -0.152 8.892 7.309
308 HD2 TYR 44 HD2 TYR 44 1.018 6.373 10.562
309 HE1 TYR 44 HE1 TYR 44 2.236 8.859 6.434
310 HE2 TYR 44 HE2 TYR 44 3.401 6.348 9.677
311 HH TYR 44 HH TYR 44 4.266 6.911 6.821
312 H GLY 45 H GLY 45 -2.473 7.581 11.788
313 1HA GLY 45 1HA GLY 45 -4.439 7.104 12.769
314 2HA GLY 45 2HA GLY 45 -4.825 8.799 12.546
315 H LEU 46 H LEU 46 -6.042 9.497 10.670
316 HA LEU 46 HA LEU 46 -7.882 7.512 9.787
317 1HB LEU 46 1HB LEU 46 -7.801 10.309 10.047
318 2HB LEU 46 2HB LEU 46 -8.004 10.002 8.333
319 HG LEU 46 HG LEU 46 -10.156 10.292 9.408
320 1HD1 LEU 46 1HD1 LEU 46 -10.099 7.348 8.865
321 2HD1 LEU 46 2HD1 LEU 46 -11.261 8.589 8.337
322 3HD1 LEU 46 3HD1 LEU 46 -9.660 8.484 7.567
323 1HD2 LEU 46 1HD2 LEU 46 -8.985 8.824 11.529
324 2HD2 LEU 46 2HD2 LEU 46 -10.595 9.579 11.460
325 3HD2 LEU 46 3HD2 LEU 46 -10.383 7.887 10.950
326 H ARG 47 H ARG 47 -4.888 8.958 8.584
327 HA ARG 47 HA ARG 47 -5.399 7.921 5.955
328 1HB ARG 47 1HB ARG 47 -3.092 9.499 7.185
329 2HB ARG 47 2HB ARG 47 -3.022 8.885 5.545
330 1HG ARG 47 1HG ARG 47 -4.186 10.692 4.833
331 2HG ARG 47 2HG ARG 47 -5.561 10.169 5.786
332 1HD ARG 47 1HD ARG 47 -5.037 11.581 7.587
333 2HD ARG 47 2HD ARG 47 -3.320 11.582 7.232
334 HE ARG 47 HE ARG 47 -4.722 12.825 5.055
335 1HH1 ARG 47 2HH2 ARG 47 -3.820 13.417 8.404
336 2HH1 ARG 47 1HH2 ARG 47 -3.807 15.141 8.229
337 1HH2 ARG 47 2HH1 ARG 47 -4.706 15.098 4.824
338 2HH2 ARG 47 1HH1 ARG 47 -4.315 16.103 6.179
339 H VAL 48 H VAL 48 -5.253 5.991 8.144
340 HA VAL 48 HA VAL 48 -2.736 4.858 8.453
341 HB VAL 48 HB VAL 48 -5.543 4.157 8.930
342 1HG1 VAL 48 1HG1 VAL 48 -4.900 2.218 7.550
343 2HG1 VAL 48 2HG1 VAL 48 -3.510 1.921 8.621
344 3HG1 VAL 48 3HG1 VAL 48 -5.168 1.761 9.249
345 1HG2 VAL 48 1HG2 VAL 48 -3.091 3.394 10.532
346 2HG2 VAL 48 2HG2 VAL 48 -3.794 5.029 10.578
347 3HG2 VAL 48 3HG2 VAL 48 -4.762 3.629 11.100
348 HA PRO 49 HA PRO 49 -3.838 2.279 4.641
349 1HB PRO 49 1HB PRO 49 -5.971 2.982 3.084
350 2HB PRO 49 2HB PRO 49 -6.058 1.753 4.331
351 1HG PRO 49 1HG PRO 49 -7.110 4.516 4.375
352 2HG PRO 49 2HG PRO 49 -7.540 3.161 5.400
353 1HD PRO 49 1HD PRO 49 -5.859 5.377 6.101
354 2HD PRO 49 2HD PRO 49 -6.196 3.966 7.083
355 H VAL 50 H VAL 50 -1.925 3.914 4.650
356 HA VAL 50 HA VAL 50 -2.231 5.513 2.207
357 HB VAL 50 HB VAL 50 -0.747 5.852 4.764
358 1HG1 VAL 50 1HG1 VAL 50 0.620 7.662 3.404
359 2HG1 VAL 50 2HG1 VAL 50 1.195 5.983 3.535
360 3HG1 VAL 50 3HG1 VAL 50 0.360 6.525 2.060
361 1HG2 VAL 50 1HG2 VAL 50 -2.006 7.858 2.865
362 2HG2 VAL 50 2HG2 VAL 50 -2.852 7.077 4.223
363 3HG2 VAL 50 3HG2 VAL 50 -1.467 8.149 4.537
364 H LEU 51 H LEU 51 -1.053 4.982 0.419
365 HA LEU 51 HA LEU 51 0.724 2.687 0.711
366 1HB LEU 51 1HB LEU 51 -1.272 3.374 -1.120
367 2HB LEU 51 2HB LEU 51 0.230 3.599 -1.995
368 HG LEU 51 HG LEU 51 -0.752 1.067 -0.659
369 1HD1 LEU 51 1HD1 LEU 51 -1.798 1.519 -2.799
370 2HD1 LEU 51 2HD1 LEU 51 -0.206 1.763 -3.558
371 3HD1 LEU 51 3HD1 LEU 51 -0.665 0.154 -2.948
372 1HD2 LEU 51 1HD2 LEU 51 1.967 1.907 -1.198
373 2HD2 LEU 51 2HD2 LEU 51 1.362 0.455 -0.365
374 3HD2 LEU 51 3HD2 LEU 51 1.542 0.455 -2.136
375 H ARG 52 H ARG 52 2.893 2.933 0.725
376 HA ARG 52 HA ARG 52 3.886 5.408 -0.441
377 1HB ARG 52 1HB ARG 52 3.989 5.343 2.103
378 2HB ARG 52 2HB ARG 52 5.051 3.954 1.986
379 1HG ARG 52 1HG ARG 52 6.118 5.966 0.235
380 2HG ARG 52 2HG ARG 52 5.717 6.766 1.743
381 1HD ARG 52 1HD ARG 52 6.910 4.543 2.763
382 2HD ARG 52 2HD ARG 52 7.734 4.598 1.218
383 HE ARG 52 HE ARG 52 7.673 7.209 2.516
384 1HH1 ARG 52 2HH2 ARG 52 9.369 4.127 2.407
385 2HH1 ARG 52 1HH2 ARG 52 10.855 4.779 3.013
386 1HH2 ARG 52 2HH1 ARG 52 9.633 8.068 3.316
387 2HH2 ARG 52 1HH1 ARG 52 11.007 7.035 3.534
388 H ASP 53 H ASP 53 5.957 5.250 -1.549
389 HA ASP 53 HA ASP 53 6.671 2.480 -2.110
390 1HB ASP 53 1HB ASP 53 7.794 3.776 -4.182
391 2HB ASP 53 2HB ASP 53 6.122 3.254 -4.216
392 HA PRO 54 HA PRO 54 10.735 3.496 -0.811
393 1HB PRO 54 1HB PRO 54 12.356 2.058 -2.475
394 2HB PRO 54 2HB PRO 54 11.508 1.349 -1.116
395 1HG PRO 54 1HG PRO 54 10.894 1.133 -4.000
396 2HG PRO 54 2HG PRO 54 10.343 0.119 -2.681
397 1HD PRO 54 1HD PRO 54 8.833 2.149 -4.033
398 2HD PRO 54 2HD PRO 54 8.323 1.216 -2.640
399 H MET 55 H MET 55 9.798 4.329 -3.954
400 HA MET 55 HA MET 55 12.163 5.618 -4.696
401 1HB MET 55 1HB MET 55 9.267 5.587 -5.550
402 2HB MET 55 2HB MET 55 10.225 6.944 -6.109
403 1HG MET 55 1HG MET 55 10.971 4.004 -6.504
404 2HG MET 55 2HG MET 55 10.243 5.024 -7.728
405 1HE MET 55 1HE MET 55 14.451 4.278 -7.142
406 2HE MET 55 2HE MET 55 12.971 3.385 -6.716
407 3HE MET 55 3HE MET 55 13.348 3.719 -8.423
408 H GLY 56 H GLY 56 9.422 6.524 -2.642
409 1HA GLY 56 1HA GLY 56 9.831 8.237 -1.007
410 2HA GLY 56 2HA GLY 56 10.690 9.160 -2.224
411 H ARG 57 H ARG 57 7.541 7.375 -2.455
412 HA ARG 57 HA ARG 57 6.207 9.920 -2.643
413 1HB ARG 57 1HB ARG 57 5.804 7.778 -4.785
414 2HB ARG 57 2HB ARG 57 5.111 9.387 -4.767
415 1HG ARG 57 1HG ARG 57 7.677 10.147 -4.658
416 2HG ARG 57 2HG ARG 57 7.961 8.556 -5.334
417 1HD ARG 57 1HD ARG 57 7.575 9.558 -7.355
418 2HD ARG 57 2HD ARG 57 5.880 9.426 -6.931
419 HE ARG 57 HE ARG 57 7.558 11.874 -6.708
420 1HH1 ARG 57 2HH2 ARG 57 4.423 10.331 -6.292
421 2HH1 ARG 57 1HH2 ARG 57 3.561 11.828 -6.165
422 1HH2 ARG 57 2HH1 ARG 57 6.421 13.849 -6.541
423 2HH2 ARG 57 1HH1 ARG 57 4.705 13.842 -6.308
424 H GLU 58 H GLU 58 3.780 9.661 -2.471
425 HA GLU 58 HA GLU 58 3.036 7.033 -1.479
426 1HB GLU 58 1HB GLU 58 2.504 9.688 -0.079
427 2HB GLU 58 2HB GLU 58 1.721 8.184 0.361
428 1HG GLU 58 1HG GLU 58 4.144 7.210 0.567
429 2HG GLU 58 2HG GLU 58 4.675 8.880 0.551
430 H LEU 59 H LEU 59 0.498 6.949 -1.203
431 HA LEU 59 HA LEU 59 -0.726 8.596 -3.298
432 1HB LEU 59 1HB LEU 59 -0.144 6.371 -4.180
433 2HB LEU 59 2HB LEU 59 -1.100 5.622 -2.916
434 HG LEU 59 HG LEU 59 -3.123 6.794 -3.825
435 1HD1 LEU 59 1HD1 LEU 59 -1.946 8.636 -4.960
436 2HD1 LEU 59 2HD1 LEU 59 -1.308 7.479 -6.153
437 3HD1 LEU 59 3HD1 LEU 59 -3.061 7.770 -6.044
438 1HD2 LEU 59 1HD2 LEU 59 -2.187 5.246 -6.148
439 2HD2 LEU 59 2HD2 LEU 59 -1.974 4.436 -4.577
440 3HD2 LEU 59 3HD2 LEU 59 -3.588 4.995 -5.079
441 H ASP 60 H ASP 60 -2.937 9.136 -2.953
442 HA ASP 60 HA ASP 60 -3.580 9.492 -0.291
443 1HB ASP 60 1HB ASP 60 -4.664 10.152 -2.885
444 2HB ASP 60 2HB ASP 60 -5.973 9.512 -1.911
445 H TRP 61 H TRP 61 -4.857 8.238 1.144
446 HA TRP 61 HA TRP 61 -5.100 5.566 0.887
447 1HB TRP 61 1HB TRP 61 -5.621 6.052 2.990
448 2HB TRP 61 2HB TRP 61 -6.250 7.635 2.578
449 HD1 TRP 61 HD1 TRP 61 -8.664 7.711 3.577
450 HE1 TRP 61 HE1 TRP 61 -10.837 6.215 3.612
451 HE3 TRP 61 HE3 TRP 61 -6.603 3.742 1.158
452 HZ2 TRP 61 HZ2 TRP 61 -11.437 3.598 2.645
453 HZ3 TRP 61 HZ3 TRP 61 -8.051 1.756 0.743
454 HH2 TRP 61 HH2 TRP 61 -10.390 1.643 1.443
455 HA PRO 62 HA PRO 62 -9.341 6.185 -1.144
456 1HB PRO 62 1HB PRO 62 -10.178 8.687 -1.856
457 2HB PRO 62 2HB PRO 62 -10.634 7.917 -0.350
458 1HG PRO 62 1HG PRO 62 -8.679 10.087 -0.804
459 2HG PRO 62 2HG PRO 62 -9.453 9.602 0.691
460 1HD PRO 62 1HD PRO 62 -6.760 9.028 -0.111
461 2HD PRO 62 2HD PRO 62 -7.570 8.447 1.330
462 H PHE 63 H PHE 63 -8.585 5.017 -2.843
463 HA PHE 63 HA PHE 63 -8.020 6.691 -5.163
464 1HB PHE 63 1HB PHE 63 -6.213 4.711 -5.549
465 2HB PHE 63 2HB PHE 63 -5.787 6.130 -4.613
466 HD1 PHE 63 HD1 PHE 63 -7.903 3.240 -3.600
467 HD2 PHE 63 HD2 PHE 63 -4.252 5.334 -3.054
468 HE1 PHE 63 HE1 PHE 63 -7.359 1.779 -1.632
469 HE2 PHE 63 HE2 PHE 63 -3.709 3.873 -1.086
470 HZ PHE 63 HZ PHE 63 -5.269 2.113 -0.399
471 H ASP 64 H ASP 64 -7.469 4.738 -7.036
472 HA ASP 64 HA ASP 64 -9.775 2.973 -6.789
473 1HB ASP 64 1HB ASP 64 -8.757 4.182 -9.395
474 2HB ASP 64 2HB ASP 64 -10.247 3.291 -9.157
475 H ALA 65 H ALA 65 -9.399 1.439 -9.115
476 HA ALA 65 HA ALA 65 -7.078 -0.078 -8.408
477 1HB ALA 65 1HB ALA 65 -9.559 -0.406 -9.913
478 2HB ALA 65 2HB ALA 65 -8.167 -1.085 -10.790
479 3HB ALA 65 3HB ALA 65 -8.532 -1.635 -9.137
480 HA PRO 66 HA PRO 66 -5.751 1.565 -12.645
481 1HB PRO 66 1HB PRO 66 -7.170 3.570 -13.843
482 2HB PRO 66 2HB PRO 66 -7.403 1.874 -14.218
483 1HG PRO 66 1HG PRO 66 -9.119 3.670 -12.615
484 2HG PRO 66 2HG PRO 66 -9.524 2.131 -13.349
485 1HD PRO 66 1HD PRO 66 -8.979 2.618 -10.576
486 2HD PRO 66 2HD PRO 66 -9.270 1.063 -11.329
487 H ARG 67 H ARG 67 -6.937 3.669 -10.228
488 HA ARG 67 HA ARG 67 -5.087 5.715 -10.933
489 1HB ARG 67 1HB ARG 67 -7.464 5.661 -9.509
490 2HB ARG 67 2HB ARG 67 -6.298 5.738 -8.202
491 1HG ARG 67 1HG ARG 67 -5.463 7.834 -8.876
492 2HG ARG 67 2HG ARG 67 -5.942 7.610 -10.547
493 1HD ARG 67 1HD ARG 67 -8.284 7.557 -8.776
494 2HD ARG 67 2HD ARG 67 -7.365 9.033 -8.551
495 HE ARG 67 HE ARG 67 -7.681 8.441 -11.371
496 1HH1 ARG 67 2HH2 ARG 67 -9.386 9.735 -8.578
497 2HH1 ARG 67 1HH2 ARG 67 -10.465 10.704 -9.526
498 1HH2 ARG 67 2HH1 ARG 67 -9.104 9.719 -12.622
499 2HH2 ARG 67 1HH1 ARG 67 -10.304 10.694 -11.841
500 H LEU 68 H LEU 68 -5.302 2.923 -8.738
501 HA LEU 68 HA LEU 68 -3.052 3.745 -7.158
502 1HB LEU 68 1HB LEU 68 -4.978 2.435 -6.294
503 2HB LEU 68 2HB LEU 68 -4.481 1.087 -7.297
504 HG LEU 68 HG LEU 68 -2.208 1.867 -5.773
505 1HD1 LEU 68 1HD1 LEU 68 -3.081 2.782 -3.931
506 2HD1 LEU 68 2HD1 LEU 68 -4.733 2.260 -4.338
507 3HD1 LEU 68 3HD1 LEU 68 -3.618 1.133 -3.529
508 1HD2 LEU 68 1HD2 LEU 68 -3.272 -0.428 -6.673
509 2HD2 LEU 68 2HD2 LEU 68 -2.051 -0.355 -5.380
510 3HD2 LEU 68 3HD2 LEU 68 -3.774 -0.523 -4.968
511 H ARG 69 H ARG 69 -3.734 1.555 -9.922
512 HA ARG 69 HA ARG 69 -1.215 0.376 -9.906
513 1HB ARG 69 1HB ARG 69 -3.442 -0.285 -11.161
514 2HB ARG 69 2HB ARG 69 -2.872 0.785 -12.426
515 1HG ARG 69 1HG ARG 69 -0.778 -1.074 -11.460
516 2HG ARG 69 2HG ARG 69 -2.170 -1.904 -12.126
517 1HD ARG 69 1HD ARG 69 -1.451 0.369 -13.822
518 2HD ARG 69 2HD ARG 69 -0.056 -0.660 -13.572
519 HE ARG 69 HE ARG 69 -2.415 -1.314 -15.124
520 1HH1 ARG 69 2HH2 ARG 69 0.080 -2.739 -13.093
521 2HH1 ARG 69 1HH2 ARG 69 -0.037 -4.304 -13.827
522 1HH2 ARG 69 2HH1 ARG 69 -2.570 -3.378 -16.092
523 2HH2 ARG 69 1HH1 ARG 69 -1.555 -4.669 -15.544
524 H ALA 70 H ALA 70 -2.639 3.174 -11.717
525 HA ALA 70 HA ALA 70 -0.441 3.709 -13.328
526 1HB ALA 70 1HB ALA 70 -2.867 5.147 -12.349
527 2HB ALA 70 2HB ALA 70 -1.552 6.153 -13.002
528 3HB ALA 70 3HB ALA 70 -2.286 4.883 -14.011
529 H TRP 71 H TRP 71 -1.106 4.377 -9.901
530 HA TRP 71 HA TRP 71 0.946 6.325 -9.620
531 1HB TRP 71 1HB TRP 71 -0.856 6.393 -8.095
532 2HB TRP 71 2HB TRP 71 -0.691 4.697 -7.687
533 HD1 TRP 71 HD1 TRP 71 1.079 8.080 -7.028
534 HE1 TRP 71 HE1 TRP 71 2.573 7.956 -4.856
535 HE3 TRP 71 HE3 TRP 71 0.479 3.089 -6.262
536 HZ2 TRP 71 HZ2 TRP 71 3.319 5.833 -3.101
537 HZ3 TRP 71 HZ3 TRP 71 1.624 2.069 -4.296
538 HH2 TRP 71 HH2 TRP 71 3.005 3.357 -2.744
539 H LEU 72 H LEU 72 0.653 2.768 -9.453
540 HA LEU 72 HA LEU 72 3.164 2.357 -8.209
541 1HB LEU 72 1HB LEU 72 1.304 0.569 -9.771
542 2HB LEU 72 2HB LEU 72 2.802 0.004 -9.060
543 HG LEU 72 HG LEU 72 0.840 1.415 -7.292
544 1HD1 LEU 72 1HD1 LEU 72 0.039 -1.143 -6.940
545 2HD1 LEU 72 2HD1 LEU 72 -0.800 0.032 -7.982
546 3HD1 LEU 72 3HD1 LEU 72 0.333 -1.141 -8.696
547 1HD2 LEU 72 1HD2 LEU 72 2.606 -0.991 -6.781
548 2HD2 LEU 72 2HD2 LEU 72 3.109 0.696 -6.518
549 3HD2 LEU 72 3HD2 LEU 72 1.756 0.015 -5.584
550 H ASP 73 H ASP 73 1.991 2.226 -11.635
551 HA ASP 73 HA ASP 73 4.347 1.467 -12.765
552 1HB ASP 73 1HB ASP 73 1.852 2.763 -13.608
553 2HB ASP 73 2HB ASP 73 3.208 3.365 -14.540
554 H ALA 74 H ALA 74 3.228 4.625 -11.524
555 HA ALA 74 HA ALA 74 4.954 6.346 -12.795
556 1HB ALA 74 1HB ALA 74 4.433 6.789 -9.892
557 2HB ALA 74 2HB ALA 74 4.156 7.866 -11.282
558 3HB ALA 74 3HB ALA 74 3.003 6.557 -10.925
559 H ALA 75 H ALA 75 5.589 3.849 -10.399
560 HA ALA 75 HA ALA 75 8.382 4.760 -10.326
561 1HB ALA 75 1HB ALA 75 6.491 4.050 -8.130
562 2HB ALA 75 2HB ALA 75 8.147 3.412 -7.989
563 3HB ALA 75 3HB ALA 75 7.879 5.166 -8.130
564 HA PRO 76 HA PRO 76 8.418 0.678 -12.087
565 1HB PRO 76 1HB PRO 76 10.606 1.051 -13.681
566 2HB PRO 76 2HB PRO 76 8.968 1.369 -14.214
567 1HG PRO 76 1HG PRO 76 11.076 3.296 -13.450
568 2HG PRO 76 2HG PRO 76 9.612 3.578 -14.371
569 1HD PRO 76 1HD PRO 76 10.070 4.265 -11.624
570 2HD PRO 76 2HD PRO 76 8.569 4.441 -12.513
571 H HIS 77 H HIS 77 10.134 -1.097 -12.268
572 HA HIS 77 HA HIS 77 12.485 -0.851 -10.875
573 1HB HIS 77 1HB HIS 77 10.441 -0.584 -9.066
574 2HB HIS 77 2HB HIS 77 10.748 -2.307 -8.984
575 HD1 HIS 77 HD1 HIS 77 11.409 -0.897 -6.473
576 HD2 HIS 77 HD2 HIS 77 14.160 -1.122 -9.632
577 HE1 HIS 77 HE1 HIS 77 13.712 -0.513 -5.444
578 H ALA 78 H ALA 78 13.629 -2.881 -10.796
579 HA ALA 78 HA ALA 78 12.151 -5.059 -12.109
580 1HB ALA 78 1HB ALA 78 13.614 -4.779 -13.799
581 2HB ALA 78 2HB ALA 78 14.591 -3.630 -12.853
582 3HB ALA 78 3HB ALA 78 14.872 -5.380 -12.693
Start of MODEL 13
1 1H MET 1 1H MET 1 9.013 -1.974 -5.702
2 HA MET 1 HA MET 1 7.661 -3.913 -7.018
3 1HB MET 1 1HB MET 1 10.350 -4.805 -5.972
4 2HB MET 1 2HB MET 1 9.010 -5.903 -5.706
5 1HG MET 1 1HG MET 1 8.492 -5.886 -8.147
6 2HG MET 1 2HG MET 1 9.797 -4.751 -8.428
7 1HE MET 1 1HE MET 1 11.129 -7.991 -9.966
8 2HE MET 1 2HE MET 1 9.976 -6.650 -10.170
9 3HE MET 1 3HE MET 1 11.706 -6.307 -9.926
10 H ALA 2 H ALA 2 9.525 -4.205 -3.907
11 HA ALA 2 HA ALA 2 7.174 -4.827 -2.456
12 1HB ALA 2 1HB ALA 2 9.407 -5.666 -1.853
13 2HB ALA 2 2HB ALA 2 9.962 -4.002 -1.550
14 3HB ALA 2 3HB ALA 2 8.708 -4.725 -0.514
15 H LEU 3 H LEU 3 5.656 -3.473 -1.639
16 HA LEU 3 HA LEU 3 6.400 -0.637 -1.465
17 1HB LEU 3 1HB LEU 3 3.837 -2.025 -2.192
18 2HB LEU 3 2HB LEU 3 3.829 -0.381 -1.584
19 HG LEU 3 HG LEU 3 5.732 -0.829 -3.790
20 1HD1 LEU 3 1HD1 LEU 3 2.825 -0.809 -4.562
21 2HD1 LEU 3 2HD1 LEU 3 4.255 -1.220 -5.539
22 3HD1 LEU 3 3HD1 LEU 3 3.688 -2.339 -4.276
23 1HD2 LEU 3 1HD2 LEU 3 5.113 1.316 -4.438
24 2HD2 LEU 3 2HD2 LEU 3 3.506 1.193 -3.684
25 3HD2 LEU 3 3HD2 LEU 3 4.956 1.366 -2.666
26 H THR 4 H THR 4 4.538 0.410 0.171
27 HA THR 4 HA THR 4 4.473 -1.282 2.562
28 HB THR 4 HB THR 4 5.603 1.561 2.371
29 HG1 THR 4 HG1 THR 4 7.399 0.304 2.074
30 1HG2 THR 4 1HG2 THR 4 4.653 1.419 4.568
31 2HG2 THR 4 2HG2 THR 4 5.020 -0.317 4.701
32 3HG2 THR 4 3HG2 THR 4 6.334 0.880 4.794
33 H LEU 5 H LEU 5 2.369 -1.539 2.974
34 HA LEU 5 HA LEU 5 0.677 0.835 2.620
35 1HB LEU 5 1HB LEU 5 -0.124 -0.734 1.127
36 2HB LEU 5 2HB LEU 5 0.211 -2.087 2.190
37 HG LEU 5 HG LEU 5 -1.652 -0.934 3.695
38 1HD1 LEU 5 1HD1 LEU 5 -1.723 0.686 1.374
39 2HD1 LEU 5 2HD1 LEU 5 -3.205 -0.299 1.372
40 3HD1 LEU 5 3HD1 LEU 5 -2.813 0.717 2.781
41 1HD2 LEU 5 1HD2 LEU 5 -3.094 -2.595 3.021
42 2HD2 LEU 5 2HD2 LEU 5 -2.678 -2.416 1.300
43 3HD2 LEU 5 3HD2 LEU 5 -1.541 -3.216 2.412
44 H TYR 6 H TYR 6 0.644 1.854 4.578
45 HA TYR 6 HA TYR 6 0.939 0.532 7.026
46 1HB TYR 6 1HB TYR 6 -0.437 3.161 6.186
47 2HB TYR 6 2HB TYR 6 0.047 2.801 7.831
48 HD1 TYR 6 HD1 TYR 6 0.929 4.713 5.152
49 HD2 TYR 6 HD2 TYR 6 2.700 1.876 7.821
50 HE1 TYR 6 HE1 TYR 6 3.223 5.711 4.702
51 HE2 TYR 6 HE2 TYR 6 4.988 2.884 7.362
52 HH TYR 6 HH TYR 6 5.362 5.507 5.003
53 H GLN 7 H GLN 7 -0.486 -0.400 8.453
54 HA GLN 7 HA GLN 7 -3.236 0.172 8.339
55 1HB GLN 7 1HB GLN 7 -4.147 -1.805 7.439
56 2HB GLN 7 2HB GLN 7 -2.822 -1.450 6.348
57 1HG GLN 7 1HG GLN 7 -1.458 -2.968 8.126
58 2HG GLN 7 2HG GLN 7 -3.056 -3.628 8.412
59 1HE2 GLN 7 1HE2 GLN 7 -2.593 -5.605 7.542
60 2HE2 GLN 7 2HE2 GLN 7 -2.372 -5.894 5.849
61 H ARG 8 H ARG 8 -4.380 -0.759 10.172
62 HA ARG 8 HA ARG 8 -2.642 -2.253 11.954
63 1HB ARG 8 1HB ARG 8 -2.612 0.089 12.729
64 2HB ARG 8 2HB ARG 8 -4.362 0.171 12.677
65 1HG ARG 8 1HG ARG 8 -3.270 -2.062 14.327
66 2HG ARG 8 2HG ARG 8 -2.895 -0.460 14.928
67 1HD ARG 8 1HD ARG 8 -5.351 0.132 14.781
68 2HD ARG 8 2HD ARG 8 -5.691 -1.512 14.279
69 HE ARG 8 HE ARG 8 -5.493 -2.183 16.504
70 1HH1 ARG 8 2HH2 ARG 8 -3.772 0.858 16.090
71 2HH1 ARG 8 1HH2 ARG 8 -3.400 1.024 17.774
72 1HH2 ARG 8 2HH1 ARG 8 -5.003 -1.965 18.725
73 2HH2 ARG 8 1HH1 ARG 8 -4.105 -0.593 19.283
74 H ASP 9 H ASP 9 -3.659 -4.185 12.388
75 HA ASP 9 HA ASP 9 -5.194 -5.655 12.809
76 1HB ASP 9 1HB ASP 9 -5.925 -3.577 14.399
77 2HB ASP 9 2HB ASP 9 -7.354 -3.641 13.386
78 H ASP 10 H ASP 10 -6.257 -6.785 11.172
79 HA ASP 10 HA ASP 10 -6.890 -5.865 8.793
80 1HB ASP 10 1HB ASP 10 -7.051 -8.260 9.650
81 2HB ASP 10 2HB ASP 10 -8.633 -7.872 10.298
82 H CYS 11 H CYS 11 -8.135 -4.054 8.266
83 HA CYS 11 HA CYS 11 -10.729 -3.832 9.611
84 1HB CYS 11 1HB CYS 11 -10.401 -1.290 9.140
85 2HB CYS 11 2HB CYS 11 -9.631 -2.016 10.537
86 HG CYS 11 HG CYS 11 -8.449 -0.480 8.084
87 H HIS 12 H HIS 12 -12.428 -2.838 8.210
88 HA HIS 12 HA HIS 12 -12.370 -3.902 5.636
89 1HB HIS 12 1HB HIS 12 -14.331 -3.205 7.250
90 2HB HIS 12 2HB HIS 12 -14.225 -1.672 6.409
91 HD1 HIS 12 HD1 HIS 12 -16.470 -4.147 6.292
92 HD2 HIS 12 HD2 HIS 12 -13.816 -2.826 3.324
93 HE1 HIS 12 HE1 HIS 12 -17.471 -4.877 4.062
94 H LEU 13 H LEU 13 -11.600 -0.664 6.958
95 HA LEU 13 HA LEU 13 -11.532 0.692 4.519
96 1HB LEU 13 1HB LEU 13 -11.508 1.530 6.964
97 2HB LEU 13 2HB LEU 13 -9.769 1.332 6.866
98 HG LEU 13 HG LEU 13 -9.998 2.807 4.701
99 1HD1 LEU 13 1HD1 LEU 13 -12.658 2.681 5.310
100 2HD1 LEU 13 2HD1 LEU 13 -12.191 4.229 6.054
101 3HD1 LEU 13 3HD1 LEU 13 -11.890 3.947 4.322
102 1HD2 LEU 13 1HD2 LEU 13 -9.202 3.264 7.290
103 2HD2 LEU 13 2HD2 LEU 13 -9.005 4.390 5.926
104 3HD2 LEU 13 3HD2 LEU 13 -10.399 4.555 7.021
105 H CYS 14 H CYS 14 -9.092 -1.277 6.280
106 HA CYS 14 HA CYS 14 -7.027 -0.642 4.442
107 1HB CYS 14 1HB CYS 14 -6.394 -1.253 6.668
108 2HB CYS 14 2HB CYS 14 -7.296 -2.754 6.597
109 HG CYS 14 HG CYS 14 -4.885 -1.911 4.492
110 H ASP 15 H ASP 15 -9.389 -3.328 4.953
111 HA ASP 15 HA ASP 15 -8.448 -5.128 3.182
112 1HB ASP 15 1HB ASP 15 -11.222 -4.313 4.057
113 2HB ASP 15 2HB ASP 15 -11.080 -5.480 2.757
114 H GLN 16 H GLN 16 -10.591 -2.255 2.612
115 HA GLN 16 HA GLN 16 -11.035 -2.738 -0.077
116 1HB GLN 16 1HB GLN 16 -11.329 -0.440 1.801
117 2HB GLN 16 2HB GLN 16 -11.220 -0.005 0.107
118 1HG GLN 16 1HG GLN 16 -12.993 -1.994 -0.185
119 2HG GLN 16 2HG GLN 16 -13.314 -1.674 1.508
120 1HE2 GLN 16 1HE2 GLN 16 -13.975 0.420 2.164
121 2HE2 GLN 16 2HE2 GLN 16 -14.791 1.496 1.080
122 H ALA 17 H ALA 17 -8.259 -1.451 1.671
123 HA ALA 17 HA ALA 17 -7.111 -0.091 -0.548
124 1HB ALA 17 1HB ALA 17 -5.377 0.394 0.932
125 2HB ALA 17 2HB ALA 17 -6.736 0.136 2.052
126 3HB ALA 17 3HB ALA 17 -5.539 -1.156 1.793
127 H VAL 18 H VAL 18 -6.659 -3.324 1.021
128 HA VAL 18 HA VAL 18 -4.588 -4.166 -0.637
129 HB VAL 18 HB VAL 18 -6.740 -5.769 0.760
130 1HG1 VAL 18 1HG1 VAL 18 -5.741 -7.347 -0.599
131 2HG1 VAL 18 2HG1 VAL 18 -4.166 -6.517 -0.594
132 3HG1 VAL 18 3HG1 VAL 18 -4.696 -7.431 0.840
133 1HG2 VAL 18 1HG2 VAL 18 -5.591 -5.598 2.722
134 2HG2 VAL 18 2HG2 VAL 18 -4.012 -5.438 1.917
135 3HG2 VAL 18 3HG2 VAL 18 -5.111 -4.041 2.007
136 H GLU 19 H GLU 19 -8.152 -4.180 -1.023
137 HA GLU 19 HA GLU 19 -8.276 -5.882 -3.173
138 1HB GLU 19 1HB GLU 19 -10.050 -4.244 -1.719
139 2HB GLU 19 2HB GLU 19 -10.190 -3.666 -3.368
140 1HG GLU 19 1HG GLU 19 -11.088 -5.657 -4.147
141 2HG GLU 19 2HG GLU 19 -10.151 -6.642 -3.041
142 H ALA 20 H ALA 20 -7.912 -2.273 -3.085
143 HA ALA 20 HA ALA 20 -7.864 -1.918 -5.850
144 1HB ALA 20 1HB ALA 20 -6.944 -0.375 -3.432
145 2HB ALA 20 2HB ALA 20 -6.493 0.197 -5.056
146 3HB ALA 20 3HB ALA 20 -8.210 0.025 -4.617
147 H LEU 21 H LEU 21 -5.320 -2.752 -3.456
148 HA LEU 21 HA LEU 21 -3.147 -2.392 -5.184
149 1HB LEU 21 1HB LEU 21 -3.682 -3.499 -2.542
150 2HB LEU 21 2HB LEU 21 -2.433 -4.385 -3.394
151 HG LEU 21 HG LEU 21 -2.172 -1.430 -3.453
152 1HD1 LEU 21 1HD1 LEU 21 -1.583 -1.076 -1.242
153 2HD1 LEU 21 2HD1 LEU 21 -3.007 -2.135 -1.096
154 3HD1 LEU 21 3HD1 LEU 21 -1.371 -2.811 -0.907
155 1HD2 LEU 21 1HD2 LEU 21 -0.530 -3.766 -3.799
156 2HD2 LEU 21 2HD2 LEU 21 -0.171 -2.062 -4.168
157 3HD2 LEU 21 3HD2 LEU 21 0.171 -2.713 -2.547
158 H ALA 22 H ALA 22 -4.927 -5.415 -4.227
159 HA ALA 22 HA ALA 22 -3.581 -7.111 -5.938
160 1HB ALA 22 1HB ALA 22 -5.695 -8.498 -5.725
161 2HB ALA 22 2HB ALA 22 -4.992 -7.955 -4.182
162 3HB ALA 22 3HB ALA 22 -6.420 -7.128 -4.849
163 H GLN 23 H GLN 23 -6.559 -5.125 -6.484
164 HA GLN 23 HA GLN 23 -7.065 -6.062 -9.021
165 1HB GLN 23 1HB GLN 23 -7.709 -3.491 -7.561
166 2HB GLN 23 2HB GLN 23 -8.151 -3.662 -9.248
167 1HG GLN 23 1HG GLN 23 -8.967 -6.096 -8.057
168 2HG GLN 23 2HG GLN 23 -9.385 -4.873 -6.874
169 1HE2 GLN 23 1HE2 GLN 23 -10.946 -3.382 -7.283
170 2HE2 GLN 23 2HE2 GLN 23 -11.997 -3.415 -8.659
171 H ALA 24 H ALA 24 -4.892 -3.453 -7.843
172 HA ALA 24 HA ALA 24 -4.245 -2.593 -10.499
173 1HB ALA 24 1HB ALA 24 -2.345 -1.474 -8.945
174 2HB ALA 24 2HB ALA 24 -4.003 -0.834 -9.044
175 3HB ALA 24 3HB ALA 24 -3.533 -1.882 -7.685
176 H ARG 25 H ARG 25 -3.623 -5.411 -8.862
177 HA ARG 25 HA ARG 25 -2.083 -6.937 -8.903
178 1HB ARG 25 1HB ARG 25 -1.983 -5.739 -11.663
179 2HB ARG 25 2HB ARG 25 -0.706 -6.867 -11.255
180 1HG ARG 25 1HG ARG 25 -3.334 -7.866 -10.391
181 2HG ARG 25 2HG ARG 25 -3.316 -7.519 -12.108
182 1HD ARG 25 1HD ARG 25 -0.851 -8.811 -11.677
183 2HD ARG 25 2HD ARG 25 -1.955 -9.677 -10.627
184 HE ARG 25 HE ARG 25 -2.839 -10.657 -12.541
185 1HH1 ARG 25 2HH2 ARG 25 -1.630 -7.466 -13.398
186 2HH1 ARG 25 1HH2 ARG 25 -2.057 -7.613 -15.070
187 1HH2 ARG 25 2HH1 ARG 25 -3.404 -10.851 -14.746
188 2HH2 ARG 25 1HH1 ARG 25 -3.073 -9.551 -15.842
189 H ALA 26 H ALA 26 -1.242 -4.600 -7.513
190 HA ALA 26 HA ALA 26 1.146 -3.481 -8.269
191 1HB ALA 26 1HB ALA 26 1.303 -3.738 -5.498
192 2HB ALA 26 2HB ALA 26 0.494 -2.424 -6.385
193 3HB ALA 26 3HB ALA 26 -0.444 -3.830 -5.826
194 H GLY 27 H GLY 27 0.655 -6.385 -6.130
195 1HA GLY 27 1HA GLY 27 2.059 -8.322 -6.855
196 2HA GLY 27 2HA GLY 27 3.409 -7.205 -6.836
197 H ALA 28 H ALA 28 4.652 -7.980 -5.138
198 HA ALA 28 HA ALA 28 3.298 -8.560 -2.625
199 1HB ALA 28 1HB ALA 28 6.004 -9.036 -2.278
200 2HB ALA 28 2HB ALA 28 4.798 -10.246 -2.779
201 3HB ALA 28 3HB ALA 28 5.765 -9.391 -4.005
202 H PHE 29 H PHE 29 4.095 -7.605 -0.598
203 HA PHE 29 HA PHE 29 5.838 -5.356 -0.746
204 1HB PHE 29 1HB PHE 29 3.955 -3.797 0.094
205 2HB PHE 29 2HB PHE 29 3.810 -4.266 -1.588
206 HD1 PHE 29 HD1 PHE 29 2.003 -5.663 -2.336
207 HD2 PHE 29 HD2 PHE 29 2.456 -4.777 1.789
208 HE1 PHE 29 HE1 PHE 29 -0.309 -6.533 -1.895
209 HE2 PHE 29 HE2 PHE 29 0.144 -5.646 2.230
210 HZ PHE 29 HZ PHE 29 -1.212 -6.514 0.383
211 H PHE 30 H PHE 30 5.536 -4.078 1.550
212 HA PHE 30 HA PHE 30 5.403 -6.232 3.538
213 1HB PHE 30 1HB PHE 30 6.923 -3.563 3.359
214 2HB PHE 30 2HB PHE 30 6.954 -4.577 4.788
215 HD1 PHE 30 HD1 PHE 30 8.791 -3.708 2.034
216 HD2 PHE 30 HD2 PHE 30 7.511 -7.183 4.106
217 HE1 PHE 30 HE1 PHE 30 10.728 -4.990 1.083
218 HE2 PHE 30 HE2 PHE 30 9.448 -8.465 3.155
219 HZ PHE 30 HZ PHE 30 11.034 -7.352 1.655
220 H SER 31 H SER 31 4.220 -5.931 5.447
221 HA SER 31 HA SER 31 2.423 -3.661 5.322
222 1HB SER 31 1HB SER 31 2.284 -6.438 6.399
223 2HB SER 31 2HB SER 31 1.483 -5.227 7.380
224 HG SER 31 HG SER 31 -0.121 -5.243 5.975
225 H VAL 32 H VAL 32 2.240 -2.153 7.043
226 HA VAL 32 HA VAL 32 4.116 -2.546 9.263
227 HB VAL 32 HB VAL 32 3.760 -0.132 7.491
228 1HG1 VAL 32 1HG1 VAL 32 5.473 0.889 9.168
229 2HG1 VAL 32 2HG1 VAL 32 3.741 0.902 9.578
230 3HG1 VAL 32 3HG1 VAL 32 4.819 -0.314 10.306
231 1HG2 VAL 32 1HG2 VAL 32 5.806 -2.200 7.853
232 2HG2 VAL 32 2HG2 VAL 32 5.549 -1.062 6.509
233 3HG2 VAL 32 3HG2 VAL 32 6.457 -0.546 7.950
234 H PHE 33 H PHE 33 3.274 -2.092 11.270
235 HA PHE 33 HA PHE 33 0.478 -1.257 11.266
236 1HB PHE 33 1HB PHE 33 2.223 -2.313 13.557
237 2HB PHE 33 2HB PHE 33 0.474 -2.358 13.466
238 HD1 PHE 33 HD1 PHE 33 -0.654 -4.002 12.029
239 HD2 PHE 33 HD2 PHE 33 3.569 -3.977 12.449
240 HE1 PHE 33 HE1 PHE 33 -0.545 -6.319 11.070
241 HE2 PHE 33 HE2 PHE 33 3.678 -6.294 11.491
242 HZ PHE 33 HZ PHE 33 1.620 -7.438 10.813
243 H ILE 34 H ILE 34 -0.013 0.822 11.762
244 HA ILE 34 HA ILE 34 1.999 2.571 12.737
245 HB ILE 34 HB ILE 34 0.367 4.272 12.522
246 1HG1 ILE 34 1HG1 ILE 34 -1.904 2.437 11.923
247 2HG1 ILE 34 2HG1 ILE 34 -1.436 2.596 13.604
248 1HG2 ILE 34 1HG2 ILE 34 -0.442 2.450 10.284
249 2HG2 ILE 34 2HG2 ILE 34 -0.001 4.174 10.254
250 3HG2 ILE 34 3HG2 ILE 34 1.262 2.936 10.451
251 1HD1 ILE 34 1HD1 ILE 34 -3.139 4.281 13.055
252 2HD1 ILE 34 2HD1 ILE 34 -1.593 5.092 13.402
253 3HD1 ILE 34 3HD1 ILE 34 -2.135 4.893 11.718
254 H ASP 35 H ASP 35 -0.075 0.281 14.220
255 HA ASP 35 HA ASP 35 -0.928 1.467 16.475
256 1HB ASP 35 1HB ASP 35 -1.081 -0.705 17.401
257 2HB ASP 35 2HB ASP 35 -1.111 -1.000 15.674
258 H ASP 36 H ASP 36 0.061 1.142 18.801
259 HA ASP 36 HA ASP 36 1.582 1.846 20.197
260 1HB ASP 36 1HB ASP 36 2.288 -0.572 19.573
261 2HB ASP 36 2HB ASP 36 3.552 0.154 18.601
262 H ASP 37 H ASP 37 1.279 3.829 18.339
263 HA ASP 37 HA ASP 37 3.763 5.089 18.364
264 1HB ASP 37 1HB ASP 37 3.354 3.408 16.112
265 2HB ASP 37 2HB ASP 37 3.028 5.026 15.526
266 H ALA 38 H ALA 38 2.653 6.929 19.161
267 HA ALA 38 HA ALA 38 0.143 7.738 18.138
268 1HB ALA 38 1HB ALA 38 1.851 8.326 20.332
269 2HB ALA 38 2HB ALA 38 1.581 9.861 19.471
270 3HB ALA 38 3HB ALA 38 0.193 8.909 20.053
271 H ALA 39 H ALA 39 3.548 8.447 17.368
272 HA ALA 39 HA ALA 39 3.157 10.807 15.947
273 1HB ALA 39 1HB ALA 39 5.215 8.866 14.998
274 2HB ALA 39 2HB ALA 39 5.381 10.579 15.456
275 3HB ALA 39 3HB ALA 39 5.290 9.325 16.716
276 H LEU 40 H LEU 40 3.159 7.344 14.865
277 HA LEU 40 HA LEU 40 2.593 7.994 12.180
278 1HB LEU 40 1HB LEU 40 2.130 5.408 13.671
279 2HB LEU 40 2HB LEU 40 2.178 5.612 11.932
280 HG LEU 40 HG LEU 40 4.531 6.207 13.741
281 1HD1 LEU 40 1HD1 LEU 40 3.886 3.659 12.234
282 2HD1 LEU 40 2HD1 LEU 40 5.449 4.032 12.999
283 3HD1 LEU 40 3HD1 LEU 40 3.985 3.867 13.999
284 1HD2 LEU 40 1HD2 LEU 40 5.838 6.075 11.667
285 2HD2 LEU 40 2HD2 LEU 40 4.338 5.822 10.741
286 3HD2 LEU 40 3HD2 LEU 40 4.607 7.359 11.597
287 H GLU 41 H GLU 41 0.611 7.369 15.090
288 HA GLU 41 HA GLU 41 -1.792 7.061 13.716
289 1HB GLU 41 1HB GLU 41 -1.055 7.797 16.562
290 2HB GLU 41 2HB GLU 41 -2.733 7.812 16.056
291 1HG GLU 41 1HG GLU 41 -1.132 5.378 15.323
292 2HG GLU 41 2HG GLU 41 -1.505 5.588 17.023
293 H SER 42 H SER 42 -0.125 9.924 15.155
294 HA SER 42 HA SER 42 -2.252 11.664 14.541
295 1HB SER 42 1HB SER 42 0.135 11.770 16.042
296 2HB SER 42 2HB SER 42 0.373 12.956 14.774
297 HG SER 42 HG SER 42 -1.059 14.253 15.699
298 H ALA 43 H ALA 43 0.632 10.451 12.857
299 HA ALA 43 HA ALA 43 0.657 12.485 10.865
300 1HB ALA 43 1HB ALA 43 2.055 9.909 11.450
301 2HB ALA 43 2HB ALA 43 2.042 10.453 9.755
302 3HB ALA 43 3HB ALA 43 2.724 11.501 11.021
303 H TYR 44 H TYR 44 -0.662 9.133 11.152
304 HA TYR 44 HA TYR 44 -2.081 9.609 8.620
305 1HB TYR 44 1HB TYR 44 -1.298 7.097 10.227
306 2HB TYR 44 2HB TYR 44 -2.215 7.036 8.735
307 HD1 TYR 44 HD1 TYR 44 0.889 6.397 9.962
308 HD2 TYR 44 HD2 TYR 44 -0.931 8.671 6.829
309 HE1 TYR 44 HE1 TYR 44 3.053 6.306 8.629
310 HE2 TYR 44 HE2 TYR 44 1.238 8.573 5.507
311 HH TYR 44 HH TYR 44 4.166 7.452 6.929
312 H GLY 45 H GLY 45 -2.518 7.643 11.652
313 1HA GLY 45 1HA GLY 45 -4.355 7.224 12.880
314 2HA GLY 45 2HA GLY 45 -4.751 8.914 12.637
315 H LEU 46 H LEU 46 -6.184 9.553 10.897
316 HA LEU 46 HA LEU 46 -8.165 7.601 10.356
317 1HB LEU 46 1HB LEU 46 -7.969 10.383 10.408
318 2HB LEU 46 2HB LEU 46 -8.297 10.002 8.730
319 HG LEU 46 HG LEU 46 -10.362 10.437 9.911
320 1HD1 LEU 46 1HD1 LEU 46 -10.185 7.465 9.362
321 2HD1 LEU 46 2HD1 LEU 46 -11.626 8.505 9.271
322 3HD1 LEU 46 3HD1 LEU 46 -10.300 8.717 8.102
323 1HD2 LEU 46 1HD2 LEU 46 -9.113 8.970 12.024
324 2HD2 LEU 46 2HD2 LEU 46 -10.624 9.911 12.047
325 3HD2 LEU 46 3HD2 LEU 46 -10.657 8.185 11.613
326 H ARG 47 H ARG 47 -5.342 8.918 8.628
327 HA ARG 47 HA ARG 47 -6.174 7.555 6.237
328 1HB ARG 47 1HB ARG 47 -3.729 9.278 6.880
329 2HB ARG 47 2HB ARG 47 -4.015 8.560 5.307
330 1HG ARG 47 1HG ARG 47 -5.350 10.305 4.755
331 2HG ARG 47 2HG ARG 47 -6.452 9.870 6.046
332 1HD ARG 47 1HD ARG 47 -5.572 11.441 7.527
333 2HD ARG 47 2HD ARG 47 -3.956 11.335 6.858
334 HE ARG 47 HE ARG 47 -4.492 13.055 5.369
335 1HH1 ARG 47 2HH2 ARG 47 -7.471 11.646 6.602
336 2HH1 ARG 47 1HH2 ARG 47 -8.491 12.827 5.849
337 1HH2 ARG 47 2HH1 ARG 47 -5.837 14.613 4.376
338 2HH2 ARG 47 1HH1 ARG 47 -7.555 14.526 4.575
339 H VAL 48 H VAL 48 -5.599 5.945 8.626
340 HA VAL 48 HA VAL 48 -3.089 4.941 8.862
341 HB VAL 48 HB VAL 48 -5.837 4.021 9.332
342 1HG1 VAL 48 1HG1 VAL 48 -3.603 1.974 9.105
343 2HG1 VAL 48 2HG1 VAL 48 -5.224 1.680 9.780
344 3HG1 VAL 48 3HG1 VAL 48 -5.038 2.086 8.057
345 1HG2 VAL 48 1HG2 VAL 48 -5.148 3.900 11.515
346 2HG2 VAL 48 2HG2 VAL 48 -3.512 3.344 11.089
347 3HG2 VAL 48 3HG2 VAL 48 -3.949 5.059 10.894
348 HA PRO 49 HA PRO 49 -3.934 2.149 5.135
349 1HB PRO 49 1HB PRO 49 -6.101 2.619 3.538
350 2HB PRO 49 2HB PRO 49 -6.099 1.431 4.826
351 1HG PRO 49 1HG PRO 49 -7.375 4.097 4.764
352 2HG PRO 49 2HG PRO 49 -7.704 2.747 5.833
353 1HD PRO 49 1HD PRO 49 -6.219 5.118 6.468
354 2HD PRO 49 2HD PRO 49 -6.449 3.718 7.497
355 H VAL 50 H VAL 50 -2.068 3.678 4.938
356 HA VAL 50 HA VAL 50 -2.513 5.261 2.501
357 HB VAL 50 HB VAL 50 -0.984 5.771 5.016
358 1HG1 VAL 50 1HG1 VAL 50 0.801 5.892 3.421
359 2HG1 VAL 50 2HG1 VAL 50 -0.206 6.808 2.274
360 3HG1 VAL 50 3HG1 VAL 50 0.310 7.559 3.803
361 1HG2 VAL 50 1HG2 VAL 50 -2.264 7.860 3.285
362 2HG2 VAL 50 2HG2 VAL 50 -3.302 6.752 4.215
363 3HG2 VAL 50 3HG2 VAL 50 -2.116 7.778 5.057
364 H LEU 51 H LEU 51 -1.369 4.662 0.723
365 HA LEU 51 HA LEU 51 0.468 2.451 1.041
366 1HB LEU 51 1HB LEU 51 -1.400 3.256 -0.884
367 2HB LEU 51 2HB LEU 51 0.162 3.473 -1.649
368 HG LEU 51 HG LEU 51 -0.935 0.917 -0.453
369 1HD1 LEU 51 1HD1 LEU 51 -0.968 2.086 -3.115
370 2HD1 LEU 51 2HD1 LEU 51 -0.193 0.484 -3.098
371 3HD1 LEU 51 3HD1 LEU 51 -1.846 0.680 -2.468
372 1HD2 LEU 51 1HD2 LEU 51 1.137 -0.157 -1.285
373 2HD2 LEU 51 2HD2 LEU 51 1.798 1.456 -1.645
374 3HD2 LEU 51 3HD2 LEU 51 1.427 1.001 0.035
375 H ARG 52 H ARG 52 2.666 2.579 0.958
376 HA ARG 52 HA ARG 52 3.739 5.125 0.058
377 1HB ARG 52 1HB ARG 52 3.815 5.121 2.523
378 2HB ARG 52 2HB ARG 52 4.563 3.536 2.538
379 1HG ARG 52 1HG ARG 52 6.027 5.532 0.893
380 2HG ARG 52 2HG ARG 52 5.936 5.950 2.592
381 1HD ARG 52 1HD ARG 52 6.653 3.426 2.986
382 2HD ARG 52 2HD ARG 52 7.185 3.496 1.318
383 HE ARG 52 HE ARG 52 8.175 5.805 2.711
384 1HH1 ARG 52 2HH2 ARG 52 8.674 2.328 2.504
385 2HH1 ARG 52 1HH2 ARG 52 10.335 2.408 2.986
386 1HH2 ARG 52 2HH1 ARG 52 10.367 5.912 3.347
387 2HH2 ARG 52 1HH1 ARG 52 11.305 4.461 3.469
388 H ASP 53 H ASP 53 5.861 4.985 -0.956
389 HA ASP 53 HA ASP 53 6.560 2.233 -1.619
390 1HB ASP 53 1HB ASP 53 7.676 4.339 -3.358
391 2HB ASP 53 2HB ASP 53 6.837 2.865 -3.800
392 HA PRO 54 HA PRO 54 10.627 3.151 -0.238
393 1HB PRO 54 1HB PRO 54 12.310 2.046 -2.086
394 2HB PRO 54 2HB PRO 54 11.475 1.105 -0.866
395 1HG PRO 54 1HG PRO 54 10.893 1.326 -3.756
396 2HG PRO 54 2HG PRO 54 10.366 0.100 -2.621
397 1HD PRO 54 1HD PRO 54 8.798 2.267 -3.657
398 2HD PRO 54 2HD PRO 54 8.309 1.110 -2.435
399 H MET 55 H MET 55 9.856 4.287 -3.385
400 HA MET 55 HA MET 55 12.120 5.790 -3.831
401 1HB MET 55 1HB MET 55 9.187 6.051 -4.637
402 2HB MET 55 2HB MET 55 10.357 7.236 -5.182
403 1HG MET 55 1HG MET 55 11.590 5.627 -6.445
404 2HG MET 55 2HG MET 55 10.905 4.273 -5.570
405 1HE MET 55 1HE MET 55 8.176 3.071 -7.143
406 2HE MET 55 2HE MET 55 9.555 3.002 -8.265
407 3HE MET 55 3HE MET 55 9.830 2.889 -6.510
408 H GLY 56 H GLY 56 9.559 6.200 -1.500
409 1HA GLY 56 1HA GLY 56 9.810 7.684 0.301
410 2HA GLY 56 2HA GLY 56 10.720 8.784 -0.716
411 H ARG 57 H ARG 57 7.668 7.143 -1.676
412 HA ARG 57 HA ARG 57 6.327 9.697 -1.377
413 1HB ARG 57 1HB ARG 57 6.129 7.912 -3.856
414 2HB ARG 57 2HB ARG 57 5.265 9.417 -3.613
415 1HG ARG 57 1HG ARG 57 8.068 9.930 -3.150
416 2HG ARG 57 2HG ARG 57 7.930 9.035 -4.650
417 1HD ARG 57 1HD ARG 57 7.751 11.398 -5.191
418 2HD ARG 57 2HD ARG 57 6.167 10.686 -5.422
419 HE ARG 57 HE ARG 57 6.976 12.446 -3.153
420 1HH1 ARG 57 2HH2 ARG 57 4.462 10.663 -4.851
421 2HH1 ARG 57 1HH2 ARG 57 3.163 11.447 -4.014
422 1HH2 ARG 57 2HH1 ARG 57 5.264 13.479 -2.049
423 2HH2 ARG 57 1HH1 ARG 57 3.622 13.059 -2.409
424 H GLU 58 H GLU 58 3.843 9.408 -1.565
425 HA GLU 58 HA GLU 58 3.038 6.692 -0.967
426 1HB GLU 58 1HB GLU 58 1.497 7.964 0.862
427 2HB GLU 58 2HB GLU 58 3.051 7.255 1.255
428 1HG GLU 58 1HG GLU 58 3.017 9.525 2.134
429 2HG GLU 58 2HG GLU 58 4.150 9.480 0.798
430 H LEU 59 H LEU 59 0.502 6.585 -0.884
431 HA LEU 59 HA LEU 59 -0.569 8.559 -2.774
432 1HB LEU 59 1HB LEU 59 0.029 6.325 -3.787
433 2HB LEU 59 2HB LEU 59 -1.216 5.613 -2.780
434 HG LEU 59 HG LEU 59 -2.930 6.974 -3.875
435 1HD1 LEU 59 1HD1 LEU 59 -2.107 8.150 -6.070
436 2HD1 LEU 59 2HD1 LEU 59 -2.020 8.990 -4.503
437 3HD1 LEU 59 3HD1 LEU 59 -0.559 8.245 -5.195
438 1HD2 LEU 59 1HD2 LEU 59 -3.171 5.512 -5.559
439 2HD2 LEU 59 2HD2 LEU 59 -1.584 5.900 -6.266
440 3HD2 LEU 59 3HD2 LEU 59 -1.695 4.770 -4.895
441 H ASP 60 H ASP 60 -2.768 9.155 -2.469
442 HA ASP 60 HA ASP 60 -3.555 9.343 0.125
443 1HB ASP 60 1HB ASP 60 -4.501 10.168 -2.396
444 2HB ASP 60 2HB ASP 60 -5.826 9.218 -1.755
445 H TRP 61 H TRP 61 -5.289 8.233 1.346
446 HA TRP 61 HA TRP 61 -5.258 5.474 1.155
447 1HB TRP 61 1HB TRP 61 -5.941 5.966 3.212
448 2HB TRP 61 2HB TRP 61 -6.609 7.514 2.735
449 HD1 TRP 61 HD1 TRP 61 -9.088 7.486 3.565
450 HE1 TRP 61 HE1 TRP 61 -11.189 5.893 3.459
451 HE3 TRP 61 HE3 TRP 61 -6.685 3.601 1.331
452 HZ2 TRP 61 HZ2 TRP 61 -11.601 3.246 2.474
453 HZ3 TRP 61 HZ3 TRP 61 -8.010 1.549 0.831
454 HH2 TRP 61 HH2 TRP 61 -10.385 1.335 1.366
455 HA PRO 62 HA PRO 62 -9.351 5.955 -1.193
456 1HB PRO 62 1HB PRO 62 -10.195 8.426 -1.999
457 2HB PRO 62 2HB PRO 62 -10.745 7.661 -0.522
458 1HG PRO 62 1HG PRO 62 -8.816 9.876 -0.855
459 2HG PRO 62 2HG PRO 62 -9.689 9.388 0.584
460 1HD PRO 62 1HD PRO 62 -6.929 8.876 -0.005
461 2HD PRO 62 2HD PRO 62 -7.832 8.290 1.378
462 H PHE 63 H PHE 63 -8.786 4.855 -2.960
463 HA PHE 63 HA PHE 63 -7.967 6.500 -5.192
464 1HB PHE 63 1HB PHE 63 -6.118 4.534 -5.460
465 2HB PHE 63 2HB PHE 63 -5.762 5.971 -4.522
466 HD1 PHE 63 HD1 PHE 63 -7.951 3.145 -3.518
467 HD2 PHE 63 HD2 PHE 63 -4.249 5.138 -2.938
468 HE1 PHE 63 HE1 PHE 63 -7.498 1.719 -1.503
469 HE2 PHE 63 HE2 PHE 63 -3.797 3.711 -0.923
470 HZ PHE 63 HZ PHE 63 -5.427 2.019 -0.229
471 H ASP 64 H ASP 64 -7.366 4.656 -7.084
472 HA ASP 64 HA ASP 64 -9.575 2.761 -6.914
473 1HB ASP 64 1HB ASP 64 -8.639 4.107 -9.481
474 2HB ASP 64 2HB ASP 64 -10.094 3.158 -9.250
475 H ALA 65 H ALA 65 -9.127 1.327 -9.275
476 HA ALA 65 HA ALA 65 -6.702 -0.057 -8.645
477 1HB ALA 65 1HB ALA 65 -8.107 -1.669 -9.367
478 2HB ALA 65 2HB ALA 65 -9.173 -0.489 -10.166
479 3HB ALA 65 3HB ALA 65 -7.735 -1.105 -11.014
480 HA PRO 66 HA PRO 66 -5.560 1.779 -12.857
481 1HB PRO 66 1HB PRO 66 -7.128 3.718 -13.976
482 2HB PRO 66 2HB PRO 66 -7.258 2.021 -14.394
483 1HG PRO 66 1HG PRO 66 -9.056 3.659 -12.714
484 2HG PRO 66 2HG PRO 66 -9.375 2.117 -13.484
485 1HD PRO 66 1HD PRO 66 -8.812 2.566 -10.707
486 2HD PRO 66 2HD PRO 66 -9.015 1.015 -11.498
487 H ARG 67 H ARG 67 -6.840 3.740 -10.367
488 HA ARG 67 HA ARG 67 -5.149 5.925 -11.044
489 1HB ARG 67 1HB ARG 67 -7.480 5.697 -9.599
490 2HB ARG 67 2HB ARG 67 -6.316 5.738 -8.289
491 1HG ARG 67 1HG ARG 67 -5.614 7.914 -8.780
492 2HG ARG 67 2HG ARG 67 -5.982 7.768 -10.487
493 1HD ARG 67 1HD ARG 67 -8.448 7.476 -8.983
494 2HD ARG 67 2HD ARG 67 -7.619 8.915 -8.423
495 HE ARG 67 HE ARG 67 -8.933 8.612 -10.956
496 1HH1 ARG 67 2HH2 ARG 67 -6.030 10.020 -9.553
497 2HH1 ARG 67 1HH2 ARG 67 -5.885 11.248 -10.766
498 1HH2 ARG 67 2HH1 ARG 67 -8.743 10.232 -12.556
499 2HH2 ARG 67 1HH1 ARG 67 -7.439 11.370 -12.486
500 H LEU 68 H LEU 68 -5.119 3.069 -8.917
501 HA LEU 68 HA LEU 68 -2.879 3.997 -7.383
502 1HB LEU 68 1HB LEU 68 -4.713 2.532 -6.524
503 2HB LEU 68 2HB LEU 68 -4.105 1.242 -7.543
504 HG LEU 68 HG LEU 68 -1.859 2.075 -6.107
505 1HD1 LEU 68 1HD1 LEU 68 -3.418 1.525 -3.797
506 2HD1 LEU 68 2HD1 LEU 68 -2.469 2.982 -4.180
507 3HD1 LEU 68 3HD1 LEU 68 -4.182 2.884 -4.655
508 1HD2 LEU 68 1HD2 LEU 68 -3.624 -0.220 -5.265
509 2HD2 LEU 68 2HD2 LEU 68 -2.718 -0.240 -6.797
510 3HD2 LEU 68 3HD2 LEU 68 -1.848 -0.103 -5.250
511 H ARG 69 H ARG 69 -3.503 1.833 -10.180
512 HA ARG 69 HA ARG 69 -0.899 0.840 -10.261
513 1HB ARG 69 1HB ARG 69 -2.772 -0.304 -11.389
514 2HB ARG 69 2HB ARG 69 -3.047 1.082 -12.425
515 1HG ARG 69 1HG ARG 69 -1.751 -0.164 -13.880
516 2HG ARG 69 2HG ARG 69 -0.457 0.679 -13.052
517 1HD ARG 69 1HD ARG 69 -0.008 -1.213 -11.611
518 2HD ARG 69 2HD ARG 69 -1.501 -2.009 -12.065
519 HE ARG 69 HE ARG 69 -0.008 -1.605 -14.451
520 1HH1 ARG 69 2HH2 ARG 69 0.232 -3.448 -11.462
521 2HH1 ARG 69 1HH2 ARG 69 1.165 -4.722 -12.173
522 1HH2 ARG 69 2HH1 ARG 69 1.224 -3.286 -15.389
523 2HH2 ARG 69 1HH1 ARG 69 1.733 -4.629 -14.421
524 H ALA 70 H ALA 70 -2.621 3.477 -12.068
525 HA ALA 70 HA ALA 70 -0.525 4.206 -13.725
526 1HB ALA 70 1HB ALA 70 -2.635 5.082 -14.248
527 2HB ALA 70 2HB ALA 70 -2.944 5.604 -12.575
528 3HB ALA 70 3HB ALA 70 -1.783 6.497 -13.586
529 H TRP 71 H TRP 71 -1.156 4.848 -10.283
530 HA TRP 71 HA TRP 71 0.750 6.955 -10.083
531 1HB TRP 71 1HB TRP 71 -1.072 6.877 -8.543
532 2HB TRP 71 2HB TRP 71 -0.676 5.243 -8.049
533 HD1 TRP 71 HD1 TRP 71 0.875 8.812 -7.785
534 HE1 TRP 71 HE1 TRP 71 2.341 9.028 -5.602
535 HE3 TRP 71 HE3 TRP 71 0.417 3.951 -6.364
536 HZ2 TRP 71 HZ2 TRP 71 3.127 7.183 -3.571
537 HZ3 TRP 71 HZ3 TRP 71 1.565 3.241 -4.269
538 HH2 TRP 71 HH2 TRP 71 2.884 4.767 -2.889
539 H LEU 72 H LEU 72 0.672 3.387 -9.559
540 HA LEU 72 HA LEU 72 3.196 3.153 -8.413
541 1HB LEU 72 1HB LEU 72 1.474 1.269 -10.012
542 2HB LEU 72 2HB LEU 72 3.023 0.787 -9.350
543 HG LEU 72 HG LEU 72 1.056 2.021 -7.474
544 1HD1 LEU 72 1HD1 LEU 72 0.547 -0.449 -9.009
545 2HD1 LEU 72 2HD1 LEU 72 0.345 -0.588 -7.246
546 3HD1 LEU 72 3HD1 LEU 72 -0.577 0.634 -8.155
547 1HD2 LEU 72 1HD2 LEU 72 3.536 0.820 -7.223
548 2HD2 LEU 72 2HD2 LEU 72 2.379 1.146 -5.909
549 3HD2 LEU 72 3HD2 LEU 72 2.403 -0.450 -6.699
550 H ASP 73 H ASP 73 2.133 2.986 -11.873
551 HA ASP 73 HA ASP 73 4.675 2.496 -12.856
552 1HB ASP 73 1HB ASP 73 2.023 3.085 -13.877
553 2HB ASP 73 2HB ASP 73 3.185 4.056 -14.759
554 H ALA 74 H ALA 74 2.793 5.491 -12.147
555 HA ALA 74 HA ALA 74 4.144 7.433 -13.396
556 1HB ALA 74 1HB ALA 74 2.286 7.302 -11.404
557 2HB ALA 74 2HB ALA 74 3.682 7.942 -10.503
558 3HB ALA 74 3HB ALA 74 3.070 8.811 -11.931
559 H ALA 75 H ALA 75 5.284 5.468 -10.631
560 HA ALA 75 HA ALA 75 7.196 5.541 -9.464
561 1HB ALA 75 1HB ALA 75 8.092 5.648 -12.367
562 2HB ALA 75 2HB ALA 75 9.201 5.317 -11.015
563 3HB ALA 75 3HB ALA 75 7.851 4.208 -11.349
564 HA PRO 76 HA PRO 76 7.756 10.059 -9.748
565 1HB PRO 76 1HB PRO 76 6.610 10.767 -7.371
566 2HB PRO 76 2HB PRO 76 5.752 10.810 -8.898
567 1HG PRO 76 1HG PRO 76 5.518 8.852 -6.697
568 2HG PRO 76 2HG PRO 76 4.403 9.163 -8.012
569 1HD PRO 76 1HD PRO 76 6.223 6.956 -7.790
570 2HD PRO 76 2HD PRO 76 5.192 7.331 -9.157
571 H HIS 77 H HIS 77 8.726 11.616 -7.916
572 HA HIS 77 HA HIS 77 10.490 9.987 -6.288
573 1HB HIS 77 1HB HIS 77 11.316 11.162 -8.744
574 2HB HIS 77 2HB HIS 77 12.047 12.100 -7.458
575 HD1 HIS 77 HD1 HIS 77 13.597 10.738 -5.725
576 HD2 HIS 77 HD2 HIS 77 12.449 8.666 -9.187
577 HE1 HIS 77 HE1 HIS 77 15.155 8.726 -5.903
578 H ALA 78 H ALA 78 10.283 13.464 -7.329
579 HA ALA 78 HA ALA 78 9.527 14.112 -4.574
580 1HB ALA 78 1HB ALA 78 12.021 14.374 -4.963
581 2HB ALA 78 2HB ALA 78 11.628 15.623 -6.169
582 3HB ALA 78 3HB ALA 78 11.177 15.859 -4.463
Start of MODEL 14
1 1H MET 1 1H MET 1 13.564 -3.881 0.928
2 HA MET 1 HA MET 1 12.851 -2.365 -0.924
3 1HB MET 1 1HB MET 1 13.804 -3.895 -2.658
4 2HB MET 1 2HB MET 1 14.710 -4.025 -1.164
5 1HG MET 1 1HG MET 1 14.164 -6.224 -0.917
6 2HG MET 1 2HG MET 1 12.459 -5.903 -1.165
7 1HE MET 1 1HE MET 1 13.893 -8.609 -2.343
8 2HE MET 1 2HE MET 1 12.186 -8.113 -2.264
9 3HE MET 1 3HE MET 1 12.893 -8.626 -3.815
10 H ALA 2 H ALA 2 10.360 -2.405 -0.263
11 HA ALA 2 HA ALA 2 8.977 -3.247 -2.608
12 1HB ALA 2 1HB ALA 2 9.139 -5.360 -1.185
13 2HB ALA 2 2HB ALA 2 8.115 -4.527 0.009
14 3HB ALA 2 3HB ALA 2 7.493 -4.848 -1.627
15 H LEU 3 H LEU 3 6.352 -3.019 -1.729
16 HA LEU 3 HA LEU 3 6.271 -0.217 -1.142
17 1HB LEU 3 1HB LEU 3 4.216 -2.321 -1.777
18 2HB LEU 3 2HB LEU 3 3.753 -0.708 -1.274
19 HG LEU 3 HG LEU 3 5.653 -1.048 -3.577
20 1HD1 LEU 3 1HD1 LEU 3 3.699 -2.583 -3.934
21 2HD1 LEU 3 2HD1 LEU 3 2.645 -1.149 -3.891
22 3HD1 LEU 3 3HD1 LEU 3 3.886 -1.303 -5.157
23 1HD2 LEU 3 1HD2 LEU 3 3.757 0.985 -4.024
24 2HD2 LEU 3 2HD2 LEU 3 4.236 1.119 -2.315
25 3HD2 LEU 3 3HD2 LEU 3 5.474 1.162 -3.593
26 H THR 4 H THR 4 4.186 0.282 0.477
27 HA THR 4 HA THR 4 4.277 -1.365 2.834
28 HB THR 4 HB THR 4 5.464 1.461 2.863
29 HG1 THR 4 HG1 THR 4 6.548 -1.229 3.323
30 1HG2 THR 4 1HG2 THR 4 4.260 0.573 4.999
31 2HG2 THR 4 2HG2 THR 4 5.532 -0.671 5.046
32 3HG2 THR 4 3HG2 THR 4 5.965 1.050 5.182
33 H LEU 5 H LEU 5 2.166 -1.554 3.237
34 HA LEU 5 HA LEU 5 0.553 0.878 2.919
35 1HB LEU 5 1HB LEU 5 -0.283 -0.680 1.426
36 2HB LEU 5 2HB LEU 5 -0.012 -2.032 2.508
37 HG LEU 5 HG LEU 5 -1.839 -0.752 3.978
38 1HD1 LEU 5 1HD1 LEU 5 -2.073 0.430 1.262
39 2HD1 LEU 5 2HD1 LEU 5 -3.585 -0.049 2.070
40 3HD1 LEU 5 3HD1 LEU 5 -2.483 1.107 2.856
41 1HD2 LEU 5 1HD2 LEU 5 -3.260 -2.442 3.428
42 2HD2 LEU 5 2HD2 LEU 5 -2.983 -2.266 1.679
43 3HD2 LEU 5 3HD2 LEU 5 -1.770 -3.082 2.694
44 H TYR 6 H TYR 6 0.507 1.903 4.867
45 HA TYR 6 HA TYR 6 0.785 0.576 7.320
46 1HB TYR 6 1HB TYR 6 -0.507 3.242 6.465
47 2HB TYR 6 2HB TYR 6 -0.060 2.871 8.118
48 HD1 TYR 6 HD1 TYR 6 2.513 2.096 8.387
49 HD2 TYR 6 HD2 TYR 6 0.972 4.517 5.214
50 HE1 TYR 6 HE1 TYR 6 4.839 3.031 7.961
51 HE2 TYR 6 HE2 TYR 6 3.303 5.445 4.799
52 HH TYR 6 HH TYR 6 5.584 4.800 5.158
53 H GLN 7 H GLN 7 -0.654 -0.392 8.691
54 HA GLN 7 HA GLN 7 -3.387 0.285 8.625
55 1HB GLN 7 1HB GLN 7 -4.286 -1.902 7.909
56 2HB GLN 7 2HB GLN 7 -3.365 -1.152 6.620
57 1HG GLN 7 1HG GLN 7 -2.088 -3.019 6.497
58 2HG GLN 7 2HG GLN 7 -1.465 -2.662 8.095
59 1HE2 GLN 7 1HE2 GLN 7 -1.911 -5.227 6.915
60 2HE2 GLN 7 2HE2 GLN 7 -3.054 -6.089 7.890
61 H ARG 8 H ARG 8 -4.603 -0.841 10.368
62 HA ARG 8 HA ARG 8 -2.854 -2.330 12.137
63 1HB ARG 8 1HB ARG 8 -2.806 -0.115 13.100
64 2HB ARG 8 2HB ARG 8 -4.521 0.126 12.830
65 1HG ARG 8 1HG ARG 8 -4.052 -2.264 14.464
66 2HG ARG 8 2HG ARG 8 -3.290 -0.861 15.184
67 1HD ARG 8 1HD ARG 8 -5.495 0.392 14.912
68 2HD ARG 8 2HD ARG 8 -6.225 -1.106 14.371
69 HE ARG 8 HE ARG 8 -5.036 -1.827 16.764
70 1HH1 ARG 8 2HH2 ARG 8 -7.278 0.721 15.834
71 2HH1 ARG 8 1HH2 ARG 8 -8.041 0.792 17.388
72 1HH2 ARG 8 2HH1 ARG 8 -6.043 -1.734 18.813
73 2HH2 ARG 8 1HH1 ARG 8 -7.334 -0.614 19.094
74 H ASP 9 H ASP 9 -3.844 -4.284 12.528
75 HA ASP 9 HA ASP 9 -5.362 -5.787 12.896
76 1HB ASP 9 1HB ASP 9 -6.513 -3.373 14.089
77 2HB ASP 9 2HB ASP 9 -7.785 -4.417 13.487
78 H ASP 10 H ASP 10 -6.482 -6.945 11.305
79 HA ASP 10 HA ASP 10 -7.009 -6.035 8.878
80 1HB ASP 10 1HB ASP 10 -7.203 -8.382 9.299
81 2HB ASP 10 2HB ASP 10 -8.416 -8.148 10.542
82 H CYS 11 H CYS 11 -8.358 -4.401 8.115
83 HA CYS 11 HA CYS 11 -10.910 -4.049 9.507
84 1HB CYS 11 1HB CYS 11 -8.815 -2.211 9.571
85 2HB CYS 11 2HB CYS 11 -9.867 -1.586 8.317
86 HG CYS 11 HG CYS 11 -12.004 -2.449 10.122
87 H HIS 12 H HIS 12 -12.527 -2.854 8.001
88 HA HIS 12 HA HIS 12 -12.541 -4.221 5.524
89 1HB HIS 12 1HB HIS 12 -14.356 -2.536 7.107
90 2HB HIS 12 2HB HIS 12 -14.530 -2.308 5.378
91 HD1 HIS 12 HD1 HIS 12 -16.878 -3.558 6.780
92 HD2 HIS 12 HD2 HIS 12 -13.694 -5.836 5.272
93 HE1 HIS 12 HE1 HIS 12 -17.785 -5.919 6.441
94 H LEU 13 H LEU 13 -12.372 -0.700 6.421
95 HA LEU 13 HA LEU 13 -12.088 0.346 3.933
96 1HB LEU 13 1HB LEU 13 -12.170 1.390 6.328
97 2HB LEU 13 2HB LEU 13 -10.422 1.365 6.205
98 HG LEU 13 HG LEU 13 -10.842 2.593 3.916
99 1HD1 LEU 13 1HD1 LEU 13 -12.898 4.208 4.500
100 2HD1 LEU 13 2HD1 LEU 13 -13.070 2.728 3.526
101 3HD1 LEU 13 3HD1 LEU 13 -13.493 2.710 5.255
102 1HD2 LEU 13 1HD2 LEU 13 -11.271 4.722 5.660
103 2HD2 LEU 13 2HD2 LEU 13 -10.462 3.487 6.653
104 3HD2 LEU 13 3HD2 LEU 13 -9.703 4.053 5.146
105 H CYS 14 H CYS 14 -9.616 -1.307 5.947
106 HA CYS 14 HA CYS 14 -7.504 -0.702 4.162
107 1HB CYS 14 1HB CYS 14 -7.199 -1.218 6.589
108 2HB CYS 14 2HB CYS 14 -7.643 -2.882 6.269
109 HG CYS 14 HG CYS 14 -5.786 -2.709 4.057
110 H ASP 15 H ASP 15 -9.709 -3.507 4.775
111 HA ASP 15 HA ASP 15 -8.597 -5.335 3.140
112 1HB ASP 15 1HB ASP 15 -11.016 -5.021 4.512
113 2HB ASP 15 2HB ASP 15 -11.541 -5.169 2.847
114 H GLN 16 H GLN 16 -11.006 -2.732 2.332
115 HA GLN 16 HA GLN 16 -11.287 -3.389 -0.332
116 1HB GLN 16 1HB GLN 16 -11.834 -1.003 1.383
117 2HB GLN 16 2HB GLN 16 -11.745 -0.694 -0.340
118 1HG GLN 16 1HG GLN 16 -13.281 -3.029 -0.216
119 2HG GLN 16 2HG GLN 16 -13.808 -2.149 1.204
120 1HE2 GLN 16 1HE2 GLN 16 -15.278 -0.637 0.981
121 2HE2 GLN 16 2HE2 GLN 16 -15.769 0.131 -0.491
122 H ALA 17 H ALA 17 -8.833 -1.455 1.405
123 HA ALA 17 HA ALA 17 -7.705 -0.238 -0.863
124 1HB ALA 17 1HB ALA 17 -5.723 -0.647 1.144
125 2HB ALA 17 2HB ALA 17 -6.678 0.822 0.829
126 3HB ALA 17 3HB ALA 17 -7.272 -0.395 1.984
127 H VAL 18 H VAL 18 -7.073 -3.338 0.877
128 HA VAL 18 HA VAL 18 -4.806 -4.047 -0.586
129 HB VAL 18 HB VAL 18 -6.905 -5.756 0.764
130 1HG1 VAL 18 1HG1 VAL 18 -4.276 -6.901 0.828
131 2HG1 VAL 18 2HG1 VAL 18 -5.767 -7.557 0.109
132 3HG1 VAL 18 3HG1 VAL 18 -4.694 -6.518 -0.859
133 1HG2 VAL 18 1HG2 VAL 18 -5.825 -4.025 2.212
134 2HG2 VAL 18 2HG2 VAL 18 -5.490 -5.699 2.718
135 3HG2 VAL 18 3HG2 VAL 18 -4.248 -4.766 1.849
136 H GLU 19 H GLU 19 -8.307 -4.314 -1.245
137 HA GLU 19 HA GLU 19 -8.147 -6.144 -3.297
138 1HB GLU 19 1HB GLU 19 -10.150 -4.669 -2.043
139 2HB GLU 19 2HB GLU 19 -10.181 -4.029 -3.675
140 1HG GLU 19 1HG GLU 19 -9.938 -6.982 -3.592
141 2HG GLU 19 2HG GLU 19 -11.404 -6.394 -2.834
142 H ALA 20 H ALA 20 -8.069 -2.515 -3.379
143 HA ALA 20 HA ALA 20 -7.884 -2.222 -6.117
144 1HB ALA 20 1HB ALA 20 -6.986 -0.006 -5.588
145 2HB ALA 20 2HB ALA 20 -8.287 -0.418 -4.445
146 3HB ALA 20 3HB ALA 20 -6.585 -0.537 -3.937
147 H LEU 21 H LEU 21 -5.357 -2.912 -3.647
148 HA LEU 21 HA LEU 21 -3.150 -2.563 -5.293
149 1HB LEU 21 1HB LEU 21 -3.772 -3.713 -2.698
150 2HB LEU 21 2HB LEU 21 -2.514 -4.614 -3.521
151 HG LEU 21 HG LEU 21 -2.169 -1.675 -3.563
152 1HD1 LEU 21 1HD1 LEU 21 -1.152 -1.931 -1.151
153 2HD1 LEU 21 2HD1 LEU 21 -2.874 -1.541 -1.383
154 3HD1 LEU 21 3HD1 LEU 21 -2.382 -3.209 -1.000
155 1HD2 LEU 21 1HD2 LEU 21 -0.535 -4.129 -3.528
156 2HD2 LEU 21 2HD2 LEU 21 -0.255 -2.563 -4.327
157 3HD2 LEU 21 3HD2 LEU 21 0.134 -2.764 -2.602
158 H ALA 22 H ALA 22 -4.985 -5.601 -4.510
159 HA ALA 22 HA ALA 22 -3.546 -7.239 -6.226
160 1HB ALA 22 1HB ALA 22 -5.310 -8.806 -5.867
161 2HB ALA 22 2HB ALA 22 -5.213 -7.838 -4.376
162 3HB ALA 22 3HB ALA 22 -6.497 -7.514 -5.565
163 H GLN 23 H GLN 23 -6.547 -5.286 -6.767
164 HA GLN 23 HA GLN 23 -7.011 -6.151 -9.331
165 1HB GLN 23 1HB GLN 23 -7.665 -3.601 -7.833
166 2HB GLN 23 2HB GLN 23 -8.102 -3.758 -9.523
167 1HG GLN 23 1HG GLN 23 -8.915 -6.205 -8.350
168 2HG GLN 23 2HG GLN 23 -9.344 -4.987 -7.165
169 1HE2 GLN 23 1HE2 GLN 23 -11.494 -4.967 -7.419
170 2HE2 GLN 23 2HE2 GLN 23 -12.333 -4.488 -8.857
171 H ALA 24 H ALA 24 -4.915 -3.495 -8.085
172 HA ALA 24 HA ALA 24 -4.227 -2.572 -10.688
173 1HB ALA 24 1HB ALA 24 -3.149 -0.911 -9.544
174 2HB ALA 24 2HB ALA 24 -4.138 -1.513 -8.192
175 3HB ALA 24 3HB ALA 24 -2.446 -2.037 -8.358
176 H ARG 25 H ARG 25 -3.469 -5.378 -8.911
177 HA ARG 25 HA ARG 25 -2.006 -6.951 -9.131
178 1HB ARG 25 1HB ARG 25 -1.969 -5.673 -11.840
179 2HB ARG 25 2HB ARG 25 -0.611 -6.725 -11.496
180 1HG ARG 25 1HG ARG 25 -3.106 -7.963 -10.600
181 2HG ARG 25 2HG ARG 25 -3.227 -7.503 -12.286
182 1HD ARG 25 1HD ARG 25 -0.672 -8.613 -12.172
183 2HD ARG 25 2HD ARG 25 -1.550 -9.601 -11.022
184 HE ARG 25 HE ARG 25 -2.023 -9.447 -13.927
185 1HH1 ARG 25 2HH2 ARG 25 -3.278 -10.481 -10.807
186 2HH1 ARG 25 1HH2 ARG 25 -4.374 -11.637 -11.488
187 1HH2 ARG 25 2HH1 ARG 25 -3.469 -10.971 -14.826
188 2HH2 ARG 25 1HH1 ARG 25 -4.483 -11.917 -13.789
189 H ALA 26 H ALA 26 -1.156 -4.678 -7.648
190 HA ALA 26 HA ALA 26 1.278 -3.593 -8.394
191 1HB ALA 26 1HB ALA 26 -0.035 -2.680 -6.583
192 2HB ALA 26 2HB ALA 26 0.064 -4.205 -5.672
193 3HB ALA 26 3HB ALA 26 1.523 -3.213 -5.908
194 H GLY 27 H GLY 27 0.693 -6.355 -6.093
195 1HA GLY 27 1HA GLY 27 2.077 -8.367 -6.816
196 2HA GLY 27 2HA GLY 27 3.437 -7.270 -6.678
197 H ALA 28 H ALA 28 4.530 -8.079 -4.895
198 HA ALA 28 HA ALA 28 2.967 -8.641 -2.498
199 1HB ALA 28 1HB ALA 28 5.399 -9.648 -3.733
200 2HB ALA 28 2HB ALA 28 5.709 -9.143 -2.055
201 3HB ALA 28 3HB ALA 28 4.438 -10.339 -2.404
202 H PHE 29 H PHE 29 3.631 -7.719 -0.411
203 HA PHE 29 HA PHE 29 5.416 -5.474 -0.473
204 1HB PHE 29 1HB PHE 29 3.503 -3.969 0.402
205 2HB PHE 29 2HB PHE 29 3.381 -4.387 -1.295
206 HD1 PHE 29 HD1 PHE 29 2.224 -5.578 2.046
207 HD2 PHE 29 HD2 PHE 29 1.382 -5.233 -2.099
208 HE1 PHE 29 HE1 PHE 29 -0.078 -6.496 2.437
209 HE2 PHE 29 HE2 PHE 29 -0.921 -6.152 -1.708
210 HZ PHE 29 HZ PHE 29 -1.623 -6.772 0.556
211 H PHE 30 H PHE 30 5.088 -4.267 1.855
212 HA PHE 30 HA PHE 30 4.874 -6.463 3.794
213 1HB PHE 30 1HB PHE 30 6.600 -3.918 3.663
214 2HB PHE 30 2HB PHE 30 6.565 -4.974 5.061
215 HD1 PHE 30 HD1 PHE 30 8.184 -4.280 2.009
216 HD2 PHE 30 HD2 PHE 30 7.164 -7.482 4.601
217 HE1 PHE 30 HE1 PHE 30 10.007 -5.679 0.999
218 HE2 PHE 30 HE2 PHE 30 8.987 -8.881 3.591
219 HZ PHE 30 HZ PHE 30 10.386 -7.963 1.801
220 H SER 31 H SER 31 3.766 -6.085 5.743
221 HA SER 31 HA SER 31 2.069 -3.752 5.632
222 1HB SER 31 1HB SER 31 1.499 -6.362 6.188
223 2HB SER 31 2HB SER 31 1.761 -5.773 7.818
224 HG SER 31 HG SER 31 0.251 -3.899 6.739
225 H VAL 32 H VAL 32 1.945 -2.198 7.345
226 HA VAL 32 HA VAL 32 3.913 -2.516 9.485
227 HB VAL 32 HB VAL 32 3.627 -0.157 7.618
228 1HG1 VAL 32 1HG1 VAL 32 3.878 0.916 9.668
229 2HG1 VAL 32 2HG1 VAL 32 4.898 -0.379 10.340
230 3HG1 VAL 32 3HG1 VAL 32 5.563 0.735 9.121
231 1HG2 VAL 32 1HG2 VAL 32 5.991 -1.948 8.277
232 2HG2 VAL 32 2HG2 VAL 32 5.046 -1.964 6.769
233 3HG2 VAL 32 3HG2 VAL 32 6.023 -0.537 7.191
234 H PHE 33 H PHE 33 3.059 -2.047 11.459
235 HA PHE 33 HA PHE 33 0.343 -1.032 11.474
236 1HB PHE 33 1HB PHE 33 2.190 -1.978 13.743
237 2HB PHE 33 2HB PHE 33 0.443 -1.862 13.821
238 HD1 PHE 33 HD1 PHE 33 3.174 -4.012 13.216
239 HD2 PHE 33 HD2 PHE 33 -0.873 -3.352 12.125
240 HE1 PHE 33 HE1 PHE 33 2.982 -6.404 12.481
241 HE2 PHE 33 HE2 PHE 33 -1.065 -5.744 11.390
242 HZ PHE 33 HZ PHE 33 0.865 -7.242 11.576
243 H ILE 34 H ILE 34 -0.178 1.044 11.979
244 HA ILE 34 HA ILE 34 1.920 2.868 12.611
245 HB ILE 34 HB ILE 34 0.258 4.553 12.413
246 1HG1 ILE 34 1HG1 ILE 34 -2.072 2.799 11.998
247 2HG1 ILE 34 2HG1 ILE 34 -1.462 2.791 13.640
248 1HG2 ILE 34 1HG2 ILE 34 -0.873 2.848 10.316
249 2HG2 ILE 34 2HG2 ILE 34 0.075 4.349 10.196
250 3HG2 ILE 34 3HG2 ILE 34 0.904 2.788 10.405
251 1HD1 ILE 34 1HD1 ILE 34 -1.737 5.158 13.883
252 2HD1 ILE 34 2HD1 ILE 34 -1.918 5.392 12.128
253 3HD1 ILE 34 3HD1 ILE 34 -3.212 4.598 13.058
254 H ASP 35 H ASP 35 -0.083 0.734 14.422
255 HA ASP 35 HA ASP 35 -0.603 2.211 16.663
256 1HB ASP 35 1HB ASP 35 -1.022 0.139 17.730
257 2HB ASP 35 2HB ASP 35 -1.292 -0.212 16.035
258 H ASP 36 H ASP 36 0.583 2.396 18.727
259 HA ASP 36 HA ASP 36 2.318 2.315 20.080
260 1HB ASP 36 1HB ASP 36 3.008 0.199 18.550
261 2HB ASP 36 2HB ASP 36 4.255 1.302 18.002
262 H ASP 37 H ASP 37 3.302 2.878 16.615
263 HA ASP 37 HA ASP 37 5.131 4.890 17.279
264 1HB ASP 37 1HB ASP 37 3.690 4.286 14.653
265 2HB ASP 37 2HB ASP 37 5.055 5.375 14.800
266 H ALA 38 H ALA 38 3.818 6.350 18.662
267 HA ALA 38 HA ALA 38 1.385 7.433 17.996
268 1HB ALA 38 1HB ALA 38 3.441 9.154 19.338
269 2HB ALA 38 2HB ALA 38 1.757 8.816 19.804
270 3HB ALA 38 3HB ALA 38 3.025 7.603 20.105
271 H ALA 39 H ALA 39 4.697 8.359 16.953
272 HA ALA 39 HA ALA 39 4.070 10.788 15.779
273 1HB ALA 39 1HB ALA 39 6.069 9.322 14.274
274 2HB ALA 39 2HB ALA 39 6.278 10.704 15.375
275 3HB ALA 39 3HB ALA 39 6.287 9.044 16.018
276 H LEU 40 H LEU 40 3.965 7.421 14.457
277 HA LEU 40 HA LEU 40 3.121 8.286 11.891
278 1HB LEU 40 1HB LEU 40 3.003 5.575 13.219
279 2HB LEU 40 2HB LEU 40 2.699 5.886 11.521
280 HG LEU 40 HG LEU 40 5.330 6.527 12.874
281 1HD1 LEU 40 1HD1 LEU 40 6.147 4.445 12.504
282 2HD1 LEU 40 2HD1 LEU 40 4.436 4.008 12.733
283 3HD1 LEU 40 3HD1 LEU 40 5.104 4.159 11.090
284 1HD2 LEU 40 1HD2 LEU 40 5.871 6.095 10.242
285 2HD2 LEU 40 2HD2 LEU 40 4.251 6.826 10.146
286 3HD2 LEU 40 3HD2 LEU 40 5.571 7.691 10.969
287 H GLU 41 H GLU 41 1.526 7.441 14.957
288 HA GLU 41 HA GLU 41 -1.013 7.074 13.858
289 1HB GLU 41 1HB GLU 41 -0.027 7.778 16.646
290 2HB GLU 41 2HB GLU 41 -1.734 7.590 16.297
291 1HG GLU 41 1HG GLU 41 -0.219 5.358 15.165
292 2HG GLU 41 2HG GLU 41 0.140 5.530 16.871
293 H SER 42 H SER 42 0.657 9.933 15.326
294 HA SER 42 HA SER 42 -1.584 11.597 15.009
295 1HB SER 42 1HB SER 42 0.931 11.736 16.277
296 2HB SER 42 2HB SER 42 0.993 13.001 15.066
297 HG SER 42 HG SER 42 -0.641 12.777 17.369
298 H ALA 43 H ALA 43 1.136 10.596 12.969
299 HA ALA 43 HA ALA 43 0.909 12.749 11.120
300 1HB ALA 43 1HB ALA 43 2.398 10.162 11.365
301 2HB ALA 43 2HB ALA 43 2.221 10.857 9.736
302 3HB ALA 43 3HB ALA 43 3.004 11.801 11.026
303 H TYR 44 H TYR 44 -0.331 9.367 11.349
304 HA TYR 44 HA TYR 44 -1.924 9.888 8.941
305 1HB TYR 44 1HB TYR 44 -1.048 7.420 10.559
306 2HB TYR 44 2HB TYR 44 -2.205 7.295 9.249
307 HD1 TYR 44 HD1 TYR 44 -1.214 8.809 7.066
308 HD2 TYR 44 HD2 TYR 44 1.031 6.601 9.963
309 HE1 TYR 44 HE1 TYR 44 0.698 8.564 5.408
310 HE2 TYR 44 HE2 TYR 44 2.935 6.363 8.295
311 HH TYR 44 HH TYR 44 3.713 6.953 6.360
312 H GLY 45 H GLY 45 -2.355 7.873 11.933
313 1HA GLY 45 1HA GLY 45 -4.104 7.646 13.324
314 2HA GLY 45 2HA GLY 45 -4.483 9.327 13.008
315 H LEU 46 H LEU 46 -5.822 9.871 11.078
316 HA LEU 46 HA LEU 46 -7.876 7.881 10.755
317 1HB LEU 46 1HB LEU 46 -7.547 10.781 10.280
318 2HB LEU 46 2HB LEU 46 -8.625 9.947 9.178
319 HG LEU 46 HG LEU 46 -9.814 10.948 11.077
320 1HD1 LEU 46 1HD1 LEU 46 -11.161 9.009 11.697
321 2HD1 LEU 46 2HD1 LEU 46 -10.747 8.975 9.966
322 3HD1 LEU 46 3HD1 LEU 46 -9.884 7.918 11.109
323 1HD2 LEU 46 1HD2 LEU 46 -9.086 10.848 13.170
324 2HD2 LEU 46 2HD2 LEU 46 -9.102 9.068 13.142
325 3HD2 LEU 46 3HD2 LEU 46 -7.659 9.955 12.592
326 H ARG 47 H ARG 47 -5.124 9.222 8.960
327 HA ARG 47 HA ARG 47 -6.033 7.947 6.555
328 1HB ARG 47 1HB ARG 47 -3.504 9.544 7.203
329 2HB ARG 47 2HB ARG 47 -3.867 8.906 5.611
330 1HG ARG 47 1HG ARG 47 -5.215 10.672 5.160
331 2HG ARG 47 2HG ARG 47 -6.201 10.325 6.566
332 1HD ARG 47 1HD ARG 47 -5.237 11.998 7.793
333 2HD ARG 47 2HD ARG 47 -3.616 11.535 7.314
334 HE ARG 47 HE ARG 47 -5.299 13.562 6.040
335 1HH1 ARG 47 2HH2 ARG 47 -2.589 11.367 5.568
336 2HH1 ARG 47 1HH2 ARG 47 -1.905 12.287 4.270
337 1HH2 ARG 47 2HH1 ARG 47 -4.397 14.776 4.327
338 2HH2 ARG 47 1HH1 ARG 47 -2.940 14.239 3.559
339 H VAL 48 H VAL 48 -5.562 6.170 8.781
340 HA VAL 48 HA VAL 48 -3.052 5.082 8.960
341 HB VAL 48 HB VAL 48 -5.823 4.279 9.494
342 1HG1 VAL 48 1HG1 VAL 48 -5.501 2.277 8.375
343 2HG1 VAL 48 2HG1 VAL 48 -3.755 2.238 8.721
344 3HG1 VAL 48 3HG1 VAL 48 -4.926 1.866 10.009
345 1HG2 VAL 48 1HG2 VAL 48 -3.926 3.213 11.346
346 2HG2 VAL 48 2HG2 VAL 48 -3.410 4.860 10.910
347 3HG2 VAL 48 3HG2 VAL 48 -5.044 4.582 11.560
348 HA PRO 49 HA PRO 49 -4.139 2.448 5.183
349 1HB PRO 49 1HB PRO 49 -6.329 3.066 3.668
350 2HB PRO 49 2HB PRO 49 -6.345 1.841 4.921
351 1HG PRO 49 1HG PRO 49 -7.494 4.564 4.976
352 2HG PRO 49 2HG PRO 49 -7.854 3.199 6.015
353 1HD PRO 49 1HD PRO 49 -6.240 5.478 6.672
354 2HD PRO 49 2HD PRO 49 -6.506 4.059 7.667
355 H VAL 50 H VAL 50 -2.205 3.869 4.954
356 HA VAL 50 HA VAL 50 -2.648 5.549 2.582
357 HB VAL 50 HB VAL 50 -0.983 5.911 5.045
358 1HG1 VAL 50 1HG1 VAL 50 0.805 6.328 3.705
359 2HG1 VAL 50 2HG1 VAL 50 -0.201 6.631 2.268
360 3HG1 VAL 50 3HG1 VAL 50 -0.006 7.900 3.502
361 1HG2 VAL 50 1HG2 VAL 50 -2.339 8.093 3.492
362 2HG2 VAL 50 2HG2 VAL 50 -3.325 6.970 4.459
363 3HG2 VAL 50 3HG2 VAL 50 -2.058 7.944 5.243
364 H LEU 51 H LEU 51 -1.625 4.899 0.755
365 HA LEU 51 HA LEU 51 0.148 2.626 0.974
366 1HB LEU 51 1HB LEU 51 -1.794 2.991 -0.695
367 2HB LEU 51 2HB LEU 51 -0.666 4.014 -1.562
368 HG LEU 51 HG LEU 51 0.288 2.258 -2.527
369 1HD1 LEU 51 1HD1 LEU 51 1.425 0.499 -1.331
370 2HD1 LEU 51 2HD1 LEU 51 1.692 2.047 -0.495
371 3HD1 LEU 51 3HD1 LEU 51 0.524 0.873 0.157
372 1HD2 LEU 51 1HD2 LEU 51 -1.061 0.490 -2.908
373 2HD2 LEU 51 2HD2 LEU 51 -1.302 0.154 -1.177
374 3HD2 LEU 51 3HD2 LEU 51 -2.226 1.454 -1.968
375 H ARG 52 H ARG 52 2.283 2.892 1.309
376 HA ARG 52 HA ARG 52 3.424 5.368 0.294
377 1HB ARG 52 1HB ARG 52 3.561 5.046 2.779
378 2HB ARG 52 2HB ARG 52 4.424 3.541 2.538
379 1HG ARG 52 1HG ARG 52 5.756 5.600 1.002
380 2HG ARG 52 2HG ARG 52 5.498 6.210 2.624
381 1HD ARG 52 1HD ARG 52 6.352 3.601 3.116
382 2HD ARG 52 2HD ARG 52 7.284 4.028 1.694
383 HE ARG 52 HE ARG 52 7.494 5.252 4.367
384 1HH1 ARG 52 2HH2 ARG 52 8.282 5.533 0.949
385 2HH1 ARG 52 1HH2 ARG 52 9.598 6.628 1.211
386 1HH2 ARG 52 2HH1 ARG 52 9.230 6.697 4.713
387 2HH2 ARG 52 1HH1 ARG 52 10.141 7.295 3.367
388 H ASP 53 H ASP 53 5.458 5.262 -0.868
389 HA ASP 53 HA ASP 53 6.008 2.573 -1.837
390 1HB ASP 53 1HB ASP 53 5.876 5.249 -3.087
391 2HB ASP 53 2HB ASP 53 7.343 4.390 -3.509
392 HA PRO 54 HA PRO 54 10.115 3.013 -0.357
393 1HB PRO 54 1HB PRO 54 11.670 1.821 -2.261
394 2HB PRO 54 2HB PRO 54 10.744 0.919 -1.077
395 1HG PRO 54 1HG PRO 54 10.182 1.325 -3.951
396 2HG PRO 54 2HG PRO 54 9.532 0.112 -2.866
397 1HD PRO 54 1HD PRO 54 8.197 2.473 -3.798
398 2HD PRO 54 2HD PRO 54 7.592 1.321 -2.624
399 H MET 55 H MET 55 9.491 4.329 -3.475
400 HA MET 55 HA MET 55 11.920 5.659 -3.743
401 1HB MET 55 1HB MET 55 9.097 6.068 -4.832
402 2HB MET 55 2HB MET 55 10.377 7.185 -5.263
403 1HG MET 55 1HG MET 55 10.508 4.160 -5.691
404 2HG MET 55 2HG MET 55 10.088 5.320 -6.936
405 1HE MET 55 1HE MET 55 11.606 6.594 -8.288
406 2HE MET 55 2HE MET 55 13.315 6.122 -8.446
407 3HE MET 55 3HE MET 55 12.033 4.902 -8.636
408 H GLY 56 H GLY 56 8.692 6.765 -2.498
409 1HA GLY 56 1HA GLY 56 9.080 8.113 -0.367
410 2HA GLY 56 2HA GLY 56 10.020 9.163 -1.408
411 H ARG 57 H ARG 57 6.897 7.382 -1.952
412 HA ARG 57 HA ARG 57 5.622 9.969 -2.196
413 1HB ARG 57 1HB ARG 57 5.187 7.734 -4.235
414 2HB ARG 57 2HB ARG 57 4.539 9.361 -4.307
415 1HG ARG 57 1HG ARG 57 7.224 9.918 -4.113
416 2HG ARG 57 2HG ARG 57 7.289 8.381 -4.952
417 1HD ARG 57 1HD ARG 57 7.091 9.855 -6.763
418 2HD ARG 57 2HD ARG 57 5.408 9.445 -6.497
419 HE ARG 57 HE ARG 57 5.010 11.615 -5.641
420 1HH1 ARG 57 2HH2 ARG 57 8.456 11.092 -6.122
421 2HH1 ARG 57 1HH2 ARG 57 8.869 12.761 -5.910
422 1HH2 ARG 57 2HH1 ARG 57 5.554 13.817 -5.362
423 2HH2 ARG 57 1HH1 ARG 57 7.207 14.322 -5.475
424 H GLU 58 H GLU 58 3.173 9.775 -2.092
425 HA GLU 58 HA GLU 58 2.369 7.245 -0.899
426 1HB GLU 58 1HB GLU 58 1.912 10.043 0.201
427 2HB GLU 58 2HB GLU 58 0.904 8.692 0.677
428 1HG GLU 58 1HG GLU 58 3.346 7.546 1.051
429 2HG GLU 58 2HG GLU 58 3.793 9.222 1.301
430 H LEU 59 H LEU 59 -0.161 7.132 -0.770
431 HA LEU 59 HA LEU 59 -1.355 8.648 -2.965
432 1HB LEU 59 1HB LEU 59 -0.464 6.330 -3.644
433 2HB LEU 59 2HB LEU 59 -1.787 5.685 -2.694
434 HG LEU 59 HG LEU 59 -3.414 6.849 -4.106
435 1HD1 LEU 59 1HD1 LEU 59 -1.966 7.649 -6.360
436 2HD1 LEU 59 2HD1 LEU 59 -2.802 8.692 -5.184
437 3HD1 LEU 59 3HD1 LEU 59 -1.074 8.320 -4.974
438 1HD2 LEU 59 1HD2 LEU 59 -3.416 4.986 -5.304
439 2HD2 LEU 59 2HD2 LEU 59 -2.141 5.660 -6.348
440 3HD2 LEU 59 3HD2 LEU 59 -1.702 4.705 -4.910
441 H ASP 60 H ASP 60 -3.621 8.995 -2.741
442 HA ASP 60 HA ASP 60 -4.437 9.206 -0.101
443 1HB ASP 60 1HB ASP 60 -5.320 10.072 -2.641
444 2HB ASP 60 2HB ASP 60 -6.647 9.097 -2.044
445 H TRP 61 H TRP 61 -5.994 7.936 1.109
446 HA TRP 61 HA TRP 61 -5.944 5.233 0.848
447 1HB TRP 61 1HB TRP 61 -6.813 5.640 2.847
448 2HB TRP 61 2HB TRP 61 -7.457 7.195 2.359
449 HD1 TRP 61 HD1 TRP 61 -10.003 7.157 2.932
450 HE1 TRP 61 HE1 TRP 61 -12.071 5.542 2.654
451 HE3 TRP 61 HE3 TRP 61 -7.377 3.278 0.954
452 HZ2 TRP 61 HZ2 TRP 61 -12.371 2.884 1.661
453 HZ3 TRP 61 HZ3 TRP 61 -8.633 1.209 0.358
454 HH2 TRP 61 HH2 TRP 61 -11.044 0.975 0.682
455 HA PRO 62 HA PRO 62 -9.883 5.538 -1.775
456 1HB PRO 62 1HB PRO 62 -10.809 7.973 -2.600
457 2HB PRO 62 2HB PRO 62 -11.412 7.152 -1.175
458 1HG PRO 62 1HG PRO 62 -9.593 9.476 -1.344
459 2HG PRO 62 2HG PRO 62 -10.532 8.914 0.025
460 1HD PRO 62 1HD PRO 62 -7.714 8.566 -0.382
461 2HD PRO 62 2HD PRO 62 -8.673 7.905 0.927
462 H PHE 63 H PHE 63 -9.183 4.514 -3.537
463 HA PHE 63 HA PHE 63 -8.310 6.235 -5.681
464 1HB PHE 63 1HB PHE 63 -6.319 4.394 -5.843
465 2HB PHE 63 2HB PHE 63 -6.118 5.849 -4.888
466 HD1 PHE 63 HD1 PHE 63 -8.154 2.864 -4.028
467 HD2 PHE 63 HD2 PHE 63 -4.666 5.133 -3.199
468 HE1 PHE 63 HE1 PHE 63 -7.730 1.466 -1.987
469 HE2 PHE 63 HE2 PHE 63 -4.241 3.736 -1.158
470 HZ PHE 63 HZ PHE 63 -5.779 1.919 -0.576
471 H ASP 64 H ASP 64 -7.375 4.359 -7.480
472 HA ASP 64 HA ASP 64 -9.493 2.360 -7.498
473 1HB ASP 64 1HB ASP 64 -8.453 3.772 -9.988
474 2HB ASP 64 2HB ASP 64 -9.854 2.727 -9.869
475 H ALA 65 H ALA 65 -8.799 0.907 -9.750
476 HA ALA 65 HA ALA 65 -6.336 -0.296 -8.953
477 1HB ALA 65 1HB ALA 65 -7.183 -2.073 -10.066
478 2HB ALA 65 2HB ALA 65 -8.675 -1.113 -10.202
479 3HB ALA 65 3HB ALA 65 -7.493 -1.114 -11.533
480 HA PRO 66 HA PRO 66 -5.002 1.602 -13.081
481 1HB PRO 66 1HB PRO 66 -6.594 3.450 -14.313
482 2HB PRO 66 2HB PRO 66 -6.597 1.749 -14.736
483 1HG PRO 66 1HG PRO 66 -8.601 3.279 -13.192
484 2HG PRO 66 2HG PRO 66 -8.775 1.723 -13.979
485 1HD PRO 66 1HD PRO 66 -8.438 2.198 -11.170
486 2HD PRO 66 2HD PRO 66 -8.496 0.640 -11.970
487 H ARG 67 H ARG 67 -6.576 3.492 -10.703
488 HA ARG 67 HA ARG 67 -4.942 5.757 -11.259
489 1HB ARG 67 1HB ARG 67 -7.381 5.425 -10.023
490 2HB ARG 67 2HB ARG 67 -6.341 5.541 -8.618
491 1HG ARG 67 1HG ARG 67 -5.689 7.742 -9.096
492 2HG ARG 67 2HG ARG 67 -5.938 7.559 -10.821
493 1HD ARG 67 1HD ARG 67 -8.478 7.167 -9.463
494 2HD ARG 67 2HD ARG 67 -7.755 8.657 -8.890
495 HE ARG 67 HE ARG 67 -7.544 8.465 -11.773
496 1HH1 ARG 67 2HH2 ARG 67 -9.814 9.190 -9.184
497 2HH1 ARG 67 1HH2 ARG 67 -10.816 10.199 -10.173
498 1HH2 ARG 67 2HH1 ARG 67 -8.865 9.797 -13.078
499 2HH2 ARG 67 1HH1 ARG 67 -10.273 10.547 -12.402
500 H LEU 68 H LEU 68 -4.979 2.925 -9.096
501 HA LEU 68 HA LEU 68 -2.927 3.970 -7.383
502 1HB LEU 68 1HB LEU 68 -4.755 2.446 -6.651
503 2HB LEU 68 2HB LEU 68 -4.035 1.170 -7.613
504 HG LEU 68 HG LEU 68 -1.942 2.119 -5.994
505 1HD1 LEU 68 1HD1 LEU 68 -4.578 2.248 -4.595
506 2HD1 LEU 68 2HD1 LEU 68 -3.180 1.585 -3.715
507 3HD1 LEU 68 3HD1 LEU 68 -3.111 3.235 -4.381
508 1HD2 LEU 68 1HD2 LEU 68 -2.705 -0.170 -4.758
509 2HD2 LEU 68 2HD2 LEU 68 -3.554 -0.337 -6.313
510 3HD2 LEU 68 3HD2 LEU 68 -1.789 -0.106 -6.283
511 H ARG 69 H ARG 69 -3.204 1.747 -10.190
512 HA ARG 69 HA ARG 69 -0.570 0.858 -10.025
513 1HB ARG 69 1HB ARG 69 -2.289 -0.355 -11.315
514 2HB ARG 69 2HB ARG 69 -2.509 1.016 -12.385
515 1HG ARG 69 1HG ARG 69 -1.058 -0.273 -13.675
516 2HG ARG 69 2HG ARG 69 0.102 0.728 -12.824
517 1HD ARG 69 1HD ARG 69 0.947 -1.043 -11.638
518 2HD ARG 69 2HD ARG 69 -0.643 -1.697 -11.298
519 HE ARG 69 HE ARG 69 -0.497 -3.047 -13.223
520 1HH1 ARG 69 2HH2 ARG 69 2.078 -0.648 -13.245
521 2HH1 ARG 69 1HH2 ARG 69 2.917 -1.375 -14.574
522 1HH2 ARG 69 2HH1 ARG 69 0.611 -4.006 -14.976
523 2HH2 ARG 69 1HH1 ARG 69 2.077 -3.298 -15.565
524 H ALA 70 H ALA 70 -2.209 3.441 -11.978
525 HA ALA 70 HA ALA 70 0.018 4.235 -13.436
526 1HB ALA 70 1HB ALA 70 -2.569 5.528 -12.566
527 2HB ALA 70 2HB ALA 70 -1.346 6.473 -13.449
528 3HB ALA 70 3HB ALA 70 -2.055 5.019 -14.192
529 H TRP 71 H TRP 71 -0.979 4.847 -10.082
530 HA TRP 71 HA TRP 71 0.788 7.049 -9.704
531 1HB TRP 71 1HB TRP 71 -1.130 6.937 -8.331
532 2HB TRP 71 2HB TRP 71 -0.804 5.281 -7.857
533 HD1 TRP 71 HD1 TRP 71 0.519 8.862 -7.177
534 HE1 TRP 71 HE1 TRP 71 1.822 8.965 -4.885
535 HE3 TRP 71 HE3 TRP 71 0.394 3.858 -6.277
536 HZ2 TRP 71 HZ2 TRP 71 2.637 6.988 -2.995
537 HZ3 TRP 71 HZ3 TRP 71 1.467 3.027 -4.186
538 HH2 TRP 71 HH2 TRP 71 2.561 4.503 -2.574
539 H LEU 72 H LEU 72 0.909 3.489 -9.477
540 HA LEU 72 HA LEU 72 3.278 3.343 -7.968
541 1HB LEU 72 1HB LEU 72 1.810 1.448 -9.784
542 2HB LEU 72 2HB LEU 72 3.343 1.013 -9.057
543 HG LEU 72 HG LEU 72 0.925 1.884 -7.455
544 1HD1 LEU 72 1HD1 LEU 72 0.018 -0.063 -8.100
545 2HD1 LEU 72 2HD1 LEU 72 1.565 -0.706 -8.701
546 3HD1 LEU 72 3HD1 LEU 72 1.182 -0.789 -6.965
547 1HD2 LEU 72 1HD2 LEU 72 2.880 0.160 -6.153
548 2HD2 LEU 72 2HD2 LEU 72 3.594 1.690 -6.720
549 3HD2 LEU 72 3HD2 LEU 72 2.187 1.714 -5.629
550 H ASP 73 H ASP 73 2.581 3.445 -11.507
551 HA ASP 73 HA ASP 73 5.324 3.180 -12.145
552 1HB ASP 73 1HB ASP 73 2.814 3.132 -13.515
553 2HB ASP 73 2HB ASP 73 3.736 4.430 -14.248
554 H ALA 74 H ALA 74 3.320 5.696 -10.949
555 HA ALA 74 HA ALA 74 4.723 7.830 -12.329
556 1HB ALA 74 1HB ALA 74 2.533 7.870 -10.213
557 2HB ALA 74 2HB ALA 74 3.123 9.272 -11.137
558 3HB ALA 74 3HB ALA 74 2.275 7.949 -11.972
559 H ALA 75 H ALA 75 4.954 5.877 -9.464
560 HA ALA 75 HA ALA 75 5.925 7.547 -7.561
561 1HB ALA 75 1HB ALA 75 7.510 5.088 -7.831
562 2HB ALA 75 2HB ALA 75 6.397 5.590 -6.536
563 3HB ALA 75 3HB ALA 75 5.762 4.805 -8.002
564 HA PRO 76 HA PRO 76 10.156 7.431 -9.674
565 1HB PRO 76 1HB PRO 76 10.426 6.339 -12.165
566 2HB PRO 76 2HB PRO 76 10.767 5.457 -10.690
567 1HG PRO 76 1HG PRO 76 8.435 5.222 -12.492
568 2HG PRO 76 2HG PRO 76 9.005 4.091 -11.280
569 1HD PRO 76 1HD PRO 76 6.767 5.871 -11.050
570 2HD PRO 76 2HD PRO 76 7.407 4.824 -9.799
571 H HIS 77 H HIS 77 11.252 8.308 -11.962
572 HA HIS 77 HA HIS 77 9.434 10.522 -12.569
573 1HB HIS 77 1HB HIS 77 12.332 10.795 -13.138
574 2HB HIS 77 2HB HIS 77 11.181 11.976 -12.545
575 HD1 HIS 77 HD1 HIS 77 14.083 10.284 -11.447
576 HD2 HIS 77 HD2 HIS 77 10.380 11.114 -9.660
577 HE1 HIS 77 HE1 HIS 77 14.446 10.095 -8.929
578 H ALA 78 H ALA 78 8.329 9.775 -14.370
579 HA ALA 78 HA ALA 78 10.011 9.311 -16.715
580 1HB ALA 78 1HB ALA 78 8.258 7.371 -15.366
581 2HB ALA 78 2HB ALA 78 7.868 7.587 -17.089
582 3HB ALA 78 3HB ALA 78 9.512 7.110 -16.602
Start of MODEL 15
1 1H MET 1 1H MET 1 11.340 -0.487 -4.483
2 HA MET 1 HA MET 1 10.269 -1.785 -5.881
3 1HB MET 1 1HB MET 1 12.254 -3.337 -5.812
4 2HB MET 1 2HB MET 1 11.588 -4.129 -4.398
5 1HG MET 1 1HG MET 1 9.666 -4.950 -5.667
6 2HG MET 1 2HG MET 1 10.094 -3.974 -7.058
7 1HE MET 1 1HE MET 1 10.289 -7.880 -6.840
8 2HE MET 1 2HE MET 1 9.319 -6.492 -7.389
9 3HE MET 1 3HE MET 1 10.516 -7.228 -8.481
10 H ALA 2 H ALA 2 10.369 -3.411 -2.626
11 HA ALA 2 HA ALA 2 7.672 -4.256 -2.799
12 1HB ALA 2 1HB ALA 2 8.635 -5.582 -1.246
13 2HB ALA 2 2HB ALA 2 9.943 -4.413 -0.944
14 3HB ALA 2 3HB ALA 2 8.381 -4.237 -0.108
15 H LEU 3 H LEU 3 5.820 -3.435 -1.670
16 HA LEU 3 HA LEU 3 6.031 -0.558 -1.203
17 1HB LEU 3 1HB LEU 3 3.793 -2.406 -1.969
18 2HB LEU 3 2HB LEU 3 3.453 -0.836 -1.266
19 HG LEU 3 HG LEU 3 5.189 -1.163 -3.720
20 1HD1 LEU 3 1HD1 LEU 3 2.857 -0.247 -4.737
21 2HD1 LEU 3 2HD1 LEU 3 3.336 -1.961 -4.721
22 3HD1 LEU 3 3HD1 LEU 3 2.246 -1.331 -3.463
23 1HD2 LEU 3 1HD2 LEU 3 5.160 1.100 -3.922
24 2HD2 LEU 3 2HD2 LEU 3 3.554 1.265 -3.172
25 3HD2 LEU 3 3HD2 LEU 3 4.988 0.988 -2.154
26 H THR 4 H THR 4 4.037 0.029 0.503
27 HA THR 4 HA THR 4 4.081 -1.777 2.757
28 HB THR 4 HB THR 4 5.457 0.960 2.809
29 HG1 THR 4 HG1 THR 4 7.188 -0.403 2.604
30 1HG2 THR 4 1HG2 THR 4 4.145 -0.514 4.936
31 2HG2 THR 4 2HG2 THR 4 5.907 -0.631 5.165
32 3HG2 THR 4 3HG2 THR 4 5.125 0.966 5.068
33 H LEU 5 H LEU 5 1.979 -1.908 3.222
34 HA LEU 5 HA LEU 5 0.416 0.557 2.972
35 1HB LEU 5 1HB LEU 5 -0.521 -1.063 1.600
36 2HB LEU 5 2HB LEU 5 -0.234 -2.359 2.744
37 HG LEU 5 HG LEU 5 -1.951 -0.865 4.202
38 1HD1 LEU 5 1HD1 LEU 5 -2.170 0.801 2.364
39 2HD1 LEU 5 2HD1 LEU 5 -2.895 -0.470 1.351
40 3HD1 LEU 5 3HD1 LEU 5 -3.710 0.050 2.846
41 1HD2 LEU 5 1HD2 LEU 5 -2.602 -2.980 2.136
42 2HD2 LEU 5 2HD2 LEU 5 -2.227 -3.214 3.860
43 3HD2 LEU 5 3HD2 LEU 5 -3.741 -2.411 3.380
44 H TYR 6 H TYR 6 0.043 1.661 4.810
45 HA TYR 6 HA TYR 6 0.603 0.454 7.338
46 1HB TYR 6 1HB TYR 6 -0.612 3.085 6.300
47 2HB TYR 6 2HB TYR 6 -0.356 2.807 8.011
48 HD1 TYR 6 HD1 TYR 6 2.139 2.030 8.631
49 HD2 TYR 6 HD2 TYR 6 1.041 4.208 5.116
50 HE1 TYR 6 HE1 TYR 6 4.523 2.883 8.406
51 HE2 TYR 6 HE2 TYR 6 3.428 5.054 4.903
52 HH TYR 6 HH TYR 6 5.725 4.623 7.436
53 H GLN 7 H GLN 7 -0.788 -0.398 8.839
54 HA GLN 7 HA GLN 7 -3.542 0.243 8.753
55 1HB GLN 7 1HB GLN 7 -4.385 -2.048 8.330
56 2HB GLN 7 2HB GLN 7 -3.523 -1.419 6.941
57 1HG GLN 7 1HG GLN 7 -1.761 -2.908 7.172
58 2HG GLN 7 2HG GLN 7 -1.857 -2.923 8.922
59 1HE2 GLN 7 1HE2 GLN 7 -1.817 -5.011 6.720
60 2HE2 GLN 7 2HE2 GLN 7 -3.113 -6.098 7.095
61 H ARG 8 H ARG 8 -4.586 -0.304 10.735
62 HA ARG 8 HA ARG 8 -2.728 -0.932 12.798
63 1HB ARG 8 1HB ARG 8 -4.561 -0.357 14.325
64 2HB ARG 8 2HB ARG 8 -4.510 0.834 13.041
65 1HG ARG 8 1HG ARG 8 -6.202 -1.324 12.151
66 2HG ARG 8 2HG ARG 8 -6.690 -0.912 13.783
67 1HD ARG 8 1HD ARG 8 -6.736 1.546 13.051
68 2HD ARG 8 2HD ARG 8 -6.477 0.996 11.408
69 HE ARG 8 HE ARG 8 -8.725 -0.329 12.761
70 1HH1 ARG 8 2HH2 ARG 8 -7.730 2.406 10.782
71 2HH1 ARG 8 1HH2 ARG 8 -9.318 2.693 10.153
72 1HH2 ARG 8 2HH1 ARG 8 -10.820 0.049 11.932
73 2HH2 ARG 8 1HH1 ARG 8 -11.088 1.343 10.812
74 H ASP 9 H ASP 9 -3.843 -2.442 14.686
75 HA ASP 9 HA ASP 9 -3.834 -4.995 13.593
76 1HB ASP 9 1HB ASP 9 -3.392 -4.043 16.054
77 2HB ASP 9 2HB ASP 9 -5.092 -4.399 16.280
78 H ASP 10 H ASP 10 -5.587 -4.960 11.967
79 HA ASP 10 HA ASP 10 -7.903 -6.080 12.722
80 1HB ASP 10 1HB ASP 10 -7.962 -3.310 13.415
81 2HB ASP 10 2HB ASP 10 -8.974 -3.463 11.993
82 H CYS 11 H CYS 11 -9.724 -5.594 10.838
83 HA CYS 11 HA CYS 11 -8.512 -4.637 8.410
84 1HB CYS 11 1HB CYS 11 -9.218 -6.861 7.250
85 2HB CYS 11 2HB CYS 11 -7.669 -6.764 8.063
86 HG CYS 11 HG CYS 11 -9.781 -8.872 8.376
87 H HIS 12 H HIS 12 -10.126 -3.638 7.214
88 HA HIS 12 HA HIS 12 -12.763 -4.634 7.156
89 1HB HIS 12 1HB HIS 12 -12.179 -3.005 9.381
90 2HB HIS 12 2HB HIS 12 -13.056 -1.974 8.268
91 HD1 HIS 12 HD1 HIS 12 -15.406 -1.918 9.126
92 HD2 HIS 12 HD2 HIS 12 -13.815 -5.799 9.124
93 HE1 HIS 12 HE1 HIS 12 -17.302 -3.468 9.840
94 H LEU 13 H LEU 13 -11.439 -1.254 7.141
95 HA LEU 13 HA LEU 13 -12.549 -0.845 4.535
96 1HB LEU 13 1HB LEU 13 -12.678 0.956 6.039
97 2HB LEU 13 2HB LEU 13 -10.986 0.834 6.479
98 HG LEU 13 HG LEU 13 -11.215 1.336 3.644
99 1HD1 LEU 13 1HD1 LEU 13 -12.071 3.792 4.150
100 2HD1 LEU 13 2HD1 LEU 13 -13.191 2.474 3.730
101 3HD1 LEU 13 3HD1 LEU 13 -12.977 2.952 5.432
102 1HD2 LEU 13 1HD2 LEU 13 -10.067 3.558 4.705
103 2HD2 LEU 13 2HD2 LEU 13 -9.800 2.381 6.013
104 3HD2 LEU 13 3HD2 LEU 13 -9.207 2.036 4.370
105 H CYS 14 H CYS 14 -9.423 -1.737 5.948
106 HA CYS 14 HA CYS 14 -7.776 -1.013 3.856
107 1HB CYS 14 1HB CYS 14 -6.185 -2.603 4.754
108 2HB CYS 14 2HB CYS 14 -6.979 -1.764 6.071
109 HG CYS 14 HG CYS 14 -7.144 -3.925 7.141
110 H ASP 15 H ASP 15 -10.251 -3.486 4.162
111 HA ASP 15 HA ASP 15 -9.406 -5.439 2.519
112 1HB ASP 15 1HB ASP 15 -11.736 -5.958 2.143
113 2HB ASP 15 2HB ASP 15 -11.611 -5.297 3.761
114 H GLN 16 H GLN 16 -11.132 -2.354 1.644
115 HA GLN 16 HA GLN 16 -11.146 -2.851 -1.091
116 1HB GLN 16 1HB GLN 16 -11.744 -0.590 0.725
117 2HB GLN 16 2HB GLN 16 -11.197 -0.081 -0.860
118 1HG GLN 16 1HG GLN 16 -12.946 -2.045 -1.604
119 2HG GLN 16 2HG GLN 16 -13.689 -1.561 -0.093
120 1HE2 GLN 16 1HE2 GLN 16 -14.677 0.376 0.112
121 2HE2 GLN 16 2HE2 GLN 16 -14.925 1.503 -1.180
122 H ALA 17 H ALA 17 -8.739 -1.437 1.124
123 HA ALA 17 HA ALA 17 -7.146 -0.206 -0.837
124 1HB ALA 17 1HB ALA 17 -6.076 0.484 1.015
125 2HB ALA 17 2HB ALA 17 -7.207 -0.503 1.972
126 3HB ALA 17 3HB ALA 17 -5.649 -1.188 1.451
127 H VAL 18 H VAL 18 -7.073 -3.475 0.723
128 HA VAL 18 HA VAL 18 -4.795 -4.331 -0.693
129 HB VAL 18 HB VAL 18 -7.036 -5.874 0.629
130 1HG1 VAL 18 1HG1 VAL 18 -4.988 -7.549 0.851
131 2HG1 VAL 18 2HG1 VAL 18 -6.029 -7.538 -0.592
132 3HG1 VAL 18 3HG1 VAL 18 -4.451 -6.716 -0.628
133 1HG2 VAL 18 1HG2 VAL 18 -5.421 -6.055 2.525
134 2HG2 VAL 18 2HG2 VAL 18 -4.354 -4.910 1.677
135 3HG2 VAL 18 3HG2 VAL 18 -5.970 -4.391 2.212
136 H GLU 19 H GLU 19 -8.303 -4.300 -1.371
137 HA GLU 19 HA GLU 19 -8.230 -6.099 -3.479
138 1HB GLU 19 1HB GLU 19 -10.170 -4.585 -2.150
139 2HB GLU 19 2HB GLU 19 -10.205 -3.926 -3.773
140 1HG GLU 19 1HG GLU 19 -10.273 -6.400 -4.591
141 2HG GLU 19 2HG GLU 19 -10.632 -6.819 -2.928
142 H ALA 20 H ALA 20 -8.033 -2.475 -3.412
143 HA ALA 20 HA ALA 20 -7.825 -2.129 -6.164
144 1HB ALA 20 1HB ALA 20 -8.232 -0.142 -5.098
145 2HB ALA 20 2HB ALA 20 -7.236 -0.571 -3.686
146 3HB ALA 20 3HB ALA 20 -6.459 -0.010 -5.186
147 H LEU 21 H LEU 21 -5.392 -2.889 -3.635
148 HA LEU 21 HA LEU 21 -3.135 -2.463 -5.226
149 1HB LEU 21 1HB LEU 21 -3.798 -3.617 -2.636
150 2HB LEU 21 2HB LEU 21 -2.488 -4.473 -3.423
151 HG LEU 21 HG LEU 21 -2.339 -1.490 -3.347
152 1HD1 LEU 21 1HD1 LEU 21 -2.878 -1.618 -1.120
153 2HD1 LEU 21 2HD1 LEU 21 -2.231 -3.266 -0.938
154 3HD1 LEU 21 3HD1 LEU 21 -1.119 -1.881 -1.051
155 1HD2 LEU 21 1HD2 LEU 21 -0.498 -3.806 -3.581
156 2HD2 LEU 21 2HD2 LEU 21 -0.462 -2.216 -4.379
157 3HD2 LEU 21 3HD2 LEU 21 0.112 -2.383 -2.703
158 H ALA 22 H ALA 22 -4.904 -5.539 -4.432
159 HA ALA 22 HA ALA 22 -3.414 -7.178 -6.077
160 1HB ALA 22 1HB ALA 22 -5.731 -7.322 -4.442
161 2HB ALA 22 2HB ALA 22 -6.196 -7.969 -6.033
162 3HB ALA 22 3HB ALA 22 -4.816 -8.671 -5.156
163 H GLN 23 H GLN 23 -6.387 -5.238 -6.786
164 HA GLN 23 HA GLN 23 -6.751 -6.140 -9.347
165 1HB GLN 23 1HB GLN 23 -7.460 -3.611 -7.867
166 2HB GLN 23 2HB GLN 23 -7.727 -3.659 -9.598
167 1HG GLN 23 1HG GLN 23 -8.722 -6.139 -8.650
168 2HG GLN 23 2HG GLN 23 -9.241 -4.967 -7.455
169 1HE2 GLN 23 1HE2 GLN 23 -11.062 -3.969 -7.819
170 2HE2 GLN 23 2HE2 GLN 23 -11.832 -3.706 -9.349
171 H ALA 24 H ALA 24 -4.767 -3.370 -8.121
172 HA ALA 24 HA ALA 24 -3.924 -2.567 -10.699
173 1HB ALA 24 1HB ALA 24 -2.033 -1.750 -8.753
174 2HB ALA 24 2HB ALA 24 -3.389 -0.805 -9.413
175 3HB ALA 24 3HB ALA 24 -3.613 -1.766 -7.932
176 H ARG 25 H ARG 25 -3.257 -5.330 -8.816
177 HA ARG 25 HA ARG 25 -1.806 -6.924 -8.951
178 1HB ARG 25 1HB ARG 25 -1.200 -5.641 -11.656
179 2HB ARG 25 2HB ARG 25 -0.455 -7.144 -11.149
180 1HG ARG 25 1HG ARG 25 -2.418 -8.358 -11.354
181 2HG ARG 25 2HG ARG 25 -3.431 -7.019 -10.851
182 1HD ARG 25 1HD ARG 25 -2.542 -5.993 -13.209
183 2HD ARG 25 2HD ARG 25 -2.400 -7.697 -13.594
184 HE ARG 25 HE ARG 25 -4.928 -7.496 -12.457
185 1HH1 ARG 25 2HH2 ARG 25 -3.294 -5.896 -15.131
186 2HH1 ARG 25 1HH2 ARG 25 -4.752 -5.618 -16.023
187 1HH2 ARG 25 2HH1 ARG 25 -6.852 -7.129 -13.633
188 2HH2 ARG 25 1HH1 ARG 25 -6.790 -6.324 -15.166
189 H ALA 26 H ALA 26 -1.008 -4.622 -7.476
190 HA ALA 26 HA ALA 26 1.450 -3.551 -8.108
191 1HB ALA 26 1HB ALA 26 1.596 -3.091 -5.674
192 2HB ALA 26 2HB ALA 26 -0.023 -2.733 -6.319
193 3HB ALA 26 3HB ALA 26 0.254 -4.224 -5.389
194 H GLY 27 H GLY 27 0.786 -6.353 -5.878
195 1HA GLY 27 1HA GLY 27 2.187 -8.353 -6.540
196 2HA GLY 27 2HA GLY 27 3.549 -7.260 -6.397
197 H ALA 28 H ALA 28 4.632 -7.985 -4.585
198 HA ALA 28 HA ALA 28 3.043 -8.560 -2.205
199 1HB ALA 28 1HB ALA 28 4.761 -10.186 -3.081
200 2HB ALA 28 2HB ALA 28 6.013 -8.974 -2.719
201 3HB ALA 28 3HB ALA 28 5.039 -9.667 -1.401
202 H PHE 29 H PHE 29 3.707 -7.628 -0.111
203 HA PHE 29 HA PHE 29 5.433 -5.331 -0.209
204 1HB PHE 29 1HB PHE 29 3.499 -3.893 0.716
205 2HB PHE 29 2HB PHE 29 3.330 -4.325 -0.973
206 HD1 PHE 29 HD1 PHE 29 1.597 -5.842 -1.702
207 HD2 PHE 29 HD2 PHE 29 2.075 -4.937 2.416
208 HE1 PHE 29 HE1 PHE 29 -0.656 -6.837 -1.222
209 HE2 PHE 29 HE2 PHE 29 -0.179 -5.932 2.896
210 HZ PHE 29 HZ PHE 29 -1.518 -6.870 1.072
211 H PHE 30 H PHE 30 5.152 -4.148 2.127
212 HA PHE 30 HA PHE 30 5.098 -6.358 4.059
213 1HB PHE 30 1HB PHE 30 6.628 -3.689 3.947
214 2HB PHE 30 2HB PHE 30 6.733 -4.807 5.292
215 HD1 PHE 30 HD1 PHE 30 7.433 -7.275 4.610
216 HD2 PHE 30 HD2 PHE 30 8.239 -3.810 2.298
217 HE1 PHE 30 HE1 PHE 30 9.315 -8.477 3.465
218 HE2 PHE 30 HE2 PHE 30 10.121 -5.011 1.153
219 HZ PHE 30 HZ PHE 30 10.637 -7.331 1.750
220 H SER 31 H SER 31 3.882 -6.141 5.931
221 HA SER 31 HA SER 31 2.069 -3.915 5.912
222 1HB SER 31 1HB SER 31 0.878 -5.182 7.681
223 2HB SER 31 2HB SER 31 1.167 -6.172 6.264
224 HG SER 31 HG SER 31 2.354 -6.319 8.855
225 H VAL 32 H VAL 32 2.025 -2.249 7.451
226 HA VAL 32 HA VAL 32 4.011 -2.447 9.603
227 HB VAL 32 HB VAL 32 3.434 -0.065 7.830
228 1HG1 VAL 32 1HG1 VAL 32 4.001 1.075 9.702
229 2HG1 VAL 32 2HG1 VAL 32 4.773 -0.339 10.460
230 3HG1 VAL 32 3HG1 VAL 32 5.656 0.610 9.240
231 1HG2 VAL 32 1HG2 VAL 32 5.801 -0.319 7.135
232 2HG2 VAL 32 2HG2 VAL 32 5.898 -1.823 8.082
233 3HG2 VAL 32 3HG2 VAL 32 4.799 -1.720 6.685
234 H PHE 33 H PHE 33 3.261 -1.886 11.615
235 HA PHE 33 HA PHE 33 0.454 -1.106 11.712
236 1HB PHE 33 1HB PHE 33 2.387 -1.970 13.938
237 2HB PHE 33 2HB PHE 33 0.637 -1.993 14.020
238 HD1 PHE 33 HD1 PHE 33 -0.312 -3.377 11.761
239 HD2 PHE 33 HD2 PHE 33 3.275 -4.087 13.913
240 HE1 PHE 33 HE1 PHE 33 -0.318 -5.763 10.983
241 HE2 PHE 33 HE2 PHE 33 3.269 -6.473 13.135
242 HZ PHE 33 HZ PHE 33 1.473 -7.283 11.679
243 H ILE 34 H ILE 34 -0.077 0.988 12.093
244 HA ILE 34 HA ILE 34 1.971 2.819 12.906
245 HB ILE 34 HB ILE 34 0.373 4.513 12.471
246 1HG1 ILE 34 1HG1 ILE 34 -1.924 2.776 11.839
247 2HG1 ILE 34 2HG1 ILE 34 -1.505 2.818 13.540
248 1HG2 ILE 34 1HG2 ILE 34 -0.459 3.817 10.170
249 2HG2 ILE 34 2HG2 ILE 34 1.291 3.684 10.466
250 3HG2 ILE 34 3HG2 ILE 34 0.269 2.227 10.501
251 1HD1 ILE 34 1HD1 ILE 34 -1.365 5.433 13.188
252 2HD1 ILE 34 2HD1 ILE 34 -2.343 5.100 11.739
253 3HD1 ILE 34 3HD1 ILE 34 -2.958 4.656 13.349
254 H ASP 35 H ASP 35 -0.291 0.738 14.473
255 HA ASP 35 HA ASP 35 -0.790 2.393 16.693
256 1HB ASP 35 1HB ASP 35 -1.366 0.046 17.738
257 2HB ASP 35 2HB ASP 35 -2.373 0.682 16.453
258 H ASP 36 H ASP 36 1.426 3.094 17.290
259 HA ASP 36 HA ASP 36 2.539 1.776 19.343
260 1HB ASP 36 1HB ASP 36 3.453 0.701 16.730
261 2HB ASP 36 2HB ASP 36 4.772 1.194 17.773
262 H ASP 37 H ASP 37 3.067 3.618 16.311
263 HA ASP 37 HA ASP 37 4.970 5.292 17.746
264 1HB ASP 37 1HB ASP 37 4.782 4.300 14.977
265 2HB ASP 37 2HB ASP 37 4.977 6.041 15.025
266 H ALA 38 H ALA 38 3.560 6.828 18.726
267 HA ALA 38 HA ALA 38 1.176 7.737 17.751
268 1HB ALA 38 1HB ALA 38 3.224 9.360 19.311
269 2HB ALA 38 2HB ALA 38 1.457 9.572 19.311
270 3HB ALA 38 3HB ALA 38 2.178 8.112 20.029
271 H ALA 39 H ALA 39 4.508 8.699 16.882
272 HA ALA 39 HA ALA 39 3.948 11.064 15.566
273 1HB ALA 39 1HB ALA 39 6.205 10.215 16.126
274 2HB ALA 39 2HB ALA 39 6.021 8.931 14.908
275 3HB ALA 39 3HB ALA 39 6.076 10.636 14.402
276 H LEU 40 H LEU 40 3.759 7.638 14.450
277 HA LEU 40 HA LEU 40 3.069 8.390 11.791
278 1HB LEU 40 1HB LEU 40 2.830 5.748 13.237
279 2HB LEU 40 2HB LEU 40 2.628 5.989 11.513
280 HG LEU 40 HG LEU 40 5.200 6.752 12.889
281 1HD1 LEU 40 1HD1 LEU 40 4.208 4.183 13.012
282 2HD1 LEU 40 2HD1 LEU 40 5.239 4.144 11.562
283 3HD1 LEU 40 3HD1 LEU 40 5.921 4.653 13.125
284 1HD2 LEU 40 1HD2 LEU 40 6.174 6.546 10.717
285 2HD2 LEU 40 2HD2 LEU 40 4.686 5.832 10.051
286 3HD2 LEU 40 3HD2 LEU 40 4.703 7.537 10.562
287 H GLU 41 H GLU 41 1.341 7.722 14.830
288 HA GLU 41 HA GLU 41 -1.161 7.357 13.644
289 1HB GLU 41 1HB GLU 41 -0.243 8.111 16.437
290 2HB GLU 41 2HB GLU 41 -1.948 8.019 16.045
291 1HG GLU 41 1HG GLU 41 -0.583 5.661 15.009
292 2HG GLU 41 2HG GLU 41 -0.196 5.863 16.706
293 H SER 42 H SER 42 0.535 10.235 15.031
294 HA SER 42 HA SER 42 -1.653 11.940 14.610
295 1HB SER 42 1HB SER 42 0.799 12.078 15.940
296 2HB SER 42 2HB SER 42 1.012 13.218 14.626
297 HG SER 42 HG SER 42 -1.484 13.455 15.859
298 H ALA 43 H ALA 43 1.046 10.767 12.636
299 HA ALA 43 HA ALA 43 0.830 12.837 10.674
300 1HB ALA 43 1HB ALA 43 2.426 10.372 11.160
301 2HB ALA 43 2HB ALA 43 2.192 10.822 9.454
302 3HB ALA 43 3HB ALA 43 2.941 11.976 10.583
303 H TYR 44 H TYR 44 -0.290 9.424 11.059
304 HA TYR 44 HA TYR 44 -1.856 9.755 8.603
305 1HB TYR 44 1HB TYR 44 -0.997 7.406 10.402
306 2HB TYR 44 2HB TYR 44 -2.065 7.189 9.030
307 HD1 TYR 44 HD1 TYR 44 -0.697 9.109 7.100
308 HD2 TYR 44 HD2 TYR 44 0.864 6.109 9.720
309 HE1 TYR 44 HE1 TYR 44 1.321 8.821 5.580
310 HE2 TYR 44 HE2 TYR 44 2.877 5.832 8.192
311 HH TYR 44 HH TYR 44 3.902 6.528 6.426
312 H GLY 45 H GLY 45 -2.294 7.949 11.726
313 1HA GLY 45 1HA GLY 45 -4.098 7.698 13.042
314 2HA GLY 45 2HA GLY 45 -4.442 9.385 12.713
315 H LEU 46 H LEU 46 -5.841 9.969 10.896
316 HA LEU 46 HA LEU 46 -7.899 8.026 10.517
317 1HB LEU 46 1HB LEU 46 -7.523 10.886 10.207
318 2HB LEU 46 2HB LEU 46 -8.367 10.201 8.833
319 HG LEU 46 HG LEU 46 -9.930 11.015 10.511
320 1HD1 LEU 46 1HD1 LEU 46 -9.946 7.988 10.358
321 2HD1 LEU 46 2HD1 LEU 46 -11.335 9.036 10.731
322 3HD1 LEU 46 3HD1 LEU 46 -10.578 9.100 9.121
323 1HD2 LEU 46 1HD2 LEU 46 -9.445 8.950 12.528
324 2HD2 LEU 46 2HD2 LEU 46 -8.109 10.116 12.374
325 3HD2 LEU 46 3HD2 LEU 46 -9.759 10.692 12.713
326 H ARG 47 H ARG 47 -5.091 9.249 8.717
327 HA ARG 47 HA ARG 47 -6.012 7.938 6.337
328 1HB ARG 47 1HB ARG 47 -3.349 9.346 6.880
329 2HB ARG 47 2HB ARG 47 -3.962 8.884 5.304
330 1HG ARG 47 1HG ARG 47 -5.241 10.757 5.156
331 2HG ARG 47 2HG ARG 47 -5.959 10.472 6.729
332 1HD ARG 47 1HD ARG 47 -4.504 11.899 7.804
333 2HD ARG 47 2HD ARG 47 -3.129 11.389 6.846
334 HE ARG 47 HE ARG 47 -4.910 12.846 5.147
335 1HH1 ARG 47 2HH2 ARG 47 -2.738 13.385 7.862
336 2HH1 ARG 47 1HH2 ARG 47 -2.407 15.031 7.435
337 1HH2 ARG 47 2HH1 ARG 47 -4.473 15.017 4.582
338 2HH2 ARG 47 1HH1 ARG 47 -3.400 15.965 5.557
339 H VAL 48 H VAL 48 -5.582 6.229 8.647
340 HA VAL 48 HA VAL 48 -3.123 5.072 8.880
341 HB VAL 48 HB VAL 48 -5.929 4.318 9.340
342 1HG1 VAL 48 1HG1 VAL 48 -5.414 2.311 8.180
343 2HG1 VAL 48 2HG1 VAL 48 -3.797 2.208 8.916
344 3HG1 VAL 48 3HG1 VAL 48 -5.247 1.932 9.911
345 1HG2 VAL 48 1HG2 VAL 48 -5.216 4.000 11.543
346 2HG2 VAL 48 2HG2 VAL 48 -3.541 3.648 11.057
347 3HG2 VAL 48 3HG2 VAL 48 -4.165 5.312 10.959
348 HA PRO 49 HA PRO 49 -4.186 2.398 5.122
349 1HB PRO 49 1HB PRO 49 -6.310 3.060 3.534
350 2HB PRO 49 2HB PRO 49 -6.402 1.857 4.806
351 1HG PRO 49 1HG PRO 49 -7.463 4.616 4.783
352 2HG PRO 49 2HG PRO 49 -7.897 3.282 5.833
353 1HD PRO 49 1HD PRO 49 -6.229 5.519 6.499
354 2HD PRO 49 2HD PRO 49 -6.569 4.127 7.509
355 H VAL 50 H VAL 50 -2.219 3.839 4.986
356 HA VAL 50 HA VAL 50 -2.532 5.456 2.551
357 HB VAL 50 HB VAL 50 -0.981 5.830 5.078
358 1HG1 VAL 50 1HG1 VAL 50 0.815 5.864 3.500
359 2HG1 VAL 50 2HG1 VAL 50 -0.131 6.834 2.346
360 3HG1 VAL 50 3HG1 VAL 50 0.417 7.558 3.877
361 1HG2 VAL 50 1HG2 VAL 50 -2.117 8.025 3.380
362 2HG2 VAL 50 2HG2 VAL 50 -3.231 6.972 4.285
363 3HG2 VAL 50 3HG2 VAL 50 -1.984 7.902 5.151
364 H LEU 51 H LEU 51 -1.443 4.774 0.772
365 HA LEU 51 HA LEU 51 0.353 2.512 1.140
366 1HB LEU 51 1HB LEU 51 -1.647 3.159 -0.711
367 2HB LEU 51 2HB LEU 51 -0.142 3.314 -1.596
368 HG LEU 51 HG LEU 51 -0.992 0.855 -0.039
369 1HD1 LEU 51 1HD1 LEU 51 -2.368 0.502 -1.763
370 2HD1 LEU 51 2HD1 LEU 51 -1.608 1.770 -2.755
371 3HD1 LEU 51 3HD1 LEU 51 -0.893 0.141 -2.692
372 1HD2 LEU 51 1HD2 LEU 51 1.544 1.677 -1.199
373 2HD2 LEU 51 2HD2 LEU 51 1.161 0.304 -0.134
374 3HD2 LEU 51 3HD2 LEU 51 0.956 0.147 -1.895
375 H ARG 52 H ARG 52 2.497 2.848 1.311
376 HA ARG 52 HA ARG 52 3.494 5.291 0.085
377 1HB ARG 52 1HB ARG 52 5.313 5.231 1.761
378 2HB ARG 52 2HB ARG 52 3.757 5.185 2.567
379 1HG ARG 52 1HG ARG 52 4.375 3.266 3.599
380 2HG ARG 52 2HG ARG 52 4.420 2.464 2.041
381 1HD ARG 52 1HD ARG 52 6.797 4.171 2.695
382 2HD ARG 52 2HD ARG 52 6.608 2.725 3.667
383 HE ARG 52 HE ARG 52 6.255 2.186 0.822
384 1HH1 ARG 52 2HH2 ARG 52 8.655 2.601 3.362
385 2HH1 ARG 52 1HH2 ARG 52 9.866 1.668 2.546
386 1HH2 ARG 52 2HH1 ARG 52 7.852 0.955 -0.254
387 2HH2 ARG 52 1HH1 ARG 52 9.405 0.726 0.476
388 H ASP 53 H ASP 53 5.919 5.089 -0.613
389 HA ASP 53 HA ASP 53 6.301 2.414 -1.711
390 1HB ASP 53 1HB ASP 53 6.422 5.122 -2.931
391 2HB ASP 53 2HB ASP 53 7.803 4.116 -3.321
392 HA PRO 54 HA PRO 54 10.350 2.667 -0.035
393 1HB PRO 54 1HB PRO 54 11.972 1.511 -1.906
394 2HB PRO 54 2HB PRO 54 10.960 0.587 -0.813
395 1HG PRO 54 1HG PRO 54 10.565 1.132 -3.692
396 2HG PRO 54 2HG PRO 54 9.825 -0.106 -2.698
397 1HD PRO 54 1HD PRO 54 8.606 2.331 -3.593
398 2HD PRO 54 2HD PRO 54 7.908 1.148 -2.504
399 H MET 55 H MET 55 10.034 4.039 -3.201
400 HA MET 55 HA MET 55 12.483 5.357 -3.184
401 1HB MET 55 1HB MET 55 11.447 6.703 -5.015
402 2HB MET 55 2HB MET 55 11.039 5.010 -5.206
403 1HG MET 55 1HG MET 55 8.910 5.701 -3.716
404 2HG MET 55 2HG MET 55 9.275 7.301 -4.331
405 1HE MET 55 1HE MET 55 9.263 3.736 -5.109
406 2HE MET 55 2HE MET 55 7.897 3.553 -6.235
407 3HE MET 55 3HE MET 55 9.548 3.761 -6.866
408 H GLY 56 H GLY 56 9.250 6.194 -1.880
409 1HA GLY 56 1HA GLY 56 9.425 7.601 0.155
410 2HA GLY 56 2HA GLY 56 10.413 8.691 -0.797
411 H ARG 57 H ARG 57 7.404 6.867 -1.686
412 HA ARG 57 HA ARG 57 6.154 9.467 -2.065
413 1HB ARG 57 1HB ARG 57 5.918 7.016 -3.884
414 2HB ARG 57 2HB ARG 57 4.968 8.476 -4.070
415 1HG ARG 57 1HG ARG 57 7.788 9.176 -3.863
416 2HG ARG 57 2HG ARG 57 7.581 7.954 -5.102
417 1HD ARG 57 1HD ARG 57 7.050 9.740 -6.444
418 2HD ARG 57 2HD ARG 57 5.466 9.596 -5.709
419 HE ARG 57 HE ARG 57 7.127 11.204 -4.010
420 1HH1 ARG 57 2HH2 ARG 57 5.485 11.342 -7.119
421 2HH1 ARG 57 1HH2 ARG 57 5.299 13.064 -7.089
422 1HH2 ARG 57 2HH1 ARG 57 6.882 13.476 -3.969
423 2HH2 ARG 57 1HH1 ARG 57 6.099 14.286 -5.285
424 H GLU 58 H GLU 58 3.655 9.264 -2.131
425 HA GLU 58 HA GLU 58 2.701 6.894 -0.795
426 1HB GLU 58 1HB GLU 58 2.508 9.694 0.383
427 2HB GLU 58 2HB GLU 58 1.450 8.391 0.883
428 1HG GLU 58 1HG GLU 58 3.824 7.094 1.123
429 2HG GLU 58 2HG GLU 58 4.399 8.733 1.354
430 H LEU 59 H LEU 59 0.235 6.861 -0.727
431 HA LEU 59 HA LEU 59 -0.922 8.650 -2.730
432 1HB LEU 59 1HB LEU 59 -0.189 6.492 -3.770
433 2HB LEU 59 2HB LEU 59 -1.319 5.657 -2.723
434 HG LEU 59 HG LEU 59 -3.156 7.090 -3.745
435 1HD1 LEU 59 1HD1 LEU 59 -1.542 7.537 -6.173
436 2HD1 LEU 59 2HD1 LEU 59 -2.790 8.551 -5.410
437 3HD1 LEU 59 3HD1 LEU 59 -1.123 8.570 -4.785
438 1HD2 LEU 59 1HD2 LEU 59 -3.619 5.310 -4.995
439 2HD2 LEU 59 2HD2 LEU 59 -2.219 5.596 -6.057
440 3HD2 LEU 59 3HD2 LEU 59 -2.017 4.679 -4.544
441 H ASP 60 H ASP 60 -3.107 9.175 -2.371
442 HA ASP 60 HA ASP 60 -3.904 9.257 0.221
443 1HB ASP 60 1HB ASP 60 -4.842 10.220 -2.190
444 2HB ASP 60 2HB ASP 60 -6.096 9.061 -1.798
445 H TRP 61 H TRP 61 -5.928 8.166 1.207
446 HA TRP 61 HA TRP 61 -5.670 5.367 1.050
447 1HB TRP 61 1HB TRP 61 -6.431 5.802 3.094
448 2HB TRP 61 2HB TRP 61 -7.141 7.333 2.620
449 HD1 TRP 61 HD1 TRP 61 -9.639 7.195 3.381
450 HE1 TRP 61 HE1 TRP 61 -11.676 5.530 3.180
451 HE3 TRP 61 HE3 TRP 61 -7.031 3.448 1.142
452 HZ2 TRP 61 HZ2 TRP 61 -11.962 2.891 2.131
453 HZ3 TRP 61 HZ3 TRP 61 -8.265 1.360 0.562
454 HH2 TRP 61 HH2 TRP 61 -10.645 1.049 1.022
455 HA PRO 62 HA PRO 62 -9.703 5.756 -1.416
456 1HB PRO 62 1HB PRO 62 -10.608 8.212 -2.202
457 2HB PRO 62 2HB PRO 62 -11.175 7.399 -0.757
458 1HG PRO 62 1HG PRO 62 -9.315 9.685 -0.988
459 2HG PRO 62 2HG PRO 62 -10.215 9.139 0.414
460 1HD PRO 62 1HD PRO 62 -7.421 8.733 -0.098
461 2HD PRO 62 2HD PRO 62 -8.345 8.089 1.244
462 H PHE 63 H PHE 63 -9.049 4.711 -3.187
463 HA PHE 63 HA PHE 63 -8.245 6.418 -5.371
464 1HB PHE 63 1HB PHE 63 -6.264 4.603 -5.616
465 2HB PHE 63 2HB PHE 63 -6.036 6.017 -4.606
466 HD1 PHE 63 HD1 PHE 63 -8.066 3.010 -3.813
467 HD2 PHE 63 HD2 PHE 63 -4.536 5.219 -2.993
468 HE1 PHE 63 HE1 PHE 63 -7.596 1.528 -1.843
469 HE2 PHE 63 HE2 PHE 63 -4.066 3.736 -1.023
470 HZ PHE 63 HZ PHE 63 -5.601 1.909 -0.471
471 H ASP 64 H ASP 64 -7.529 4.685 -7.288
472 HA ASP 64 HA ASP 64 -9.630 2.664 -7.199
473 1HB ASP 64 1HB ASP 64 -8.617 4.065 -9.708
474 2HB ASP 64 2HB ASP 64 -10.025 3.031 -9.572
475 H ALA 65 H ALA 65 -8.979 1.315 -9.606
476 HA ALA 65 HA ALA 65 -6.569 -0.026 -8.822
477 1HB ALA 65 1HB ALA 65 -8.919 -0.501 -10.499
478 2HB ALA 65 2HB ALA 65 -7.416 -1.026 -11.295
479 3HB ALA 65 3HB ALA 65 -7.845 -1.668 -9.692
480 HA PRO 66 HA PRO 66 -5.181 1.934 -12.900
481 1HB PRO 66 1HB PRO 66 -6.728 3.837 -14.106
482 2HB PRO 66 2HB PRO 66 -6.764 2.144 -14.559
483 1HG PRO 66 1HG PRO 66 -8.744 3.687 -12.997
484 2HG PRO 66 2HG PRO 66 -8.946 2.149 -13.812
485 1HD PRO 66 1HD PRO 66 -8.612 2.567 -10.994
486 2HD PRO 66 2HD PRO 66 -8.698 1.025 -11.821
487 H ARG 67 H ARG 67 -6.703 3.791 -10.473
488 HA ARG 67 HA ARG 67 -5.050 6.050 -10.990
489 1HB ARG 67 1HB ARG 67 -7.470 5.660 -9.678
490 2HB ARG 67 2HB ARG 67 -6.370 5.835 -8.325
491 1HG ARG 67 1HG ARG 67 -6.025 8.062 -8.730
492 2HG ARG 67 2HG ARG 67 -5.878 7.824 -10.460
493 1HD ARG 67 1HD ARG 67 -8.612 7.290 -9.854
494 2HD ARG 67 2HD ARG 67 -8.198 8.715 -8.922
495 HE ARG 67 HE ARG 67 -8.426 8.550 -11.815
496 1HH1 ARG 67 2HH2 ARG 67 -6.758 10.231 -9.213
497 2HH1 ARG 67 1HH2 ARG 67 -6.452 11.652 -10.155
498 1HH2 ARG 67 2HH1 ARG 67 -8.024 10.425 -13.058
499 2HH2 ARG 67 1HH1 ARG 67 -7.177 11.763 -12.357
500 H LEU 68 H LEU 68 -5.086 3.161 -8.905
501 HA LEU 68 HA LEU 68 -2.998 4.137 -7.195
502 1HB LEU 68 1HB LEU 68 -4.842 2.603 -6.496
503 2HB LEU 68 2HB LEU 68 -4.118 1.348 -7.481
504 HG LEU 68 HG LEU 68 -2.028 2.269 -5.846
505 1HD1 LEU 68 1HD1 LEU 68 -3.893 1.517 -3.768
506 2HD1 LEU 68 2HD1 LEU 68 -2.802 2.920 -3.870
507 3HD1 LEU 68 3HD1 LEU 68 -4.426 3.001 -4.594
508 1HD2 LEU 68 1HD2 LEU 68 -1.881 0.047 -6.177
509 2HD2 LEU 68 2HD2 LEU 68 -2.783 -0.038 -4.645
510 3HD2 LEU 68 3HD2 LEU 68 -3.646 -0.181 -6.195
511 H ARG 69 H ARG 69 -3.339 2.030 -10.078
512 HA ARG 69 HA ARG 69 -0.686 1.137 -9.963
513 1HB ARG 69 1HB ARG 69 -2.439 -0.103 -11.192
514 2HB ARG 69 2HB ARG 69 -2.691 1.255 -12.272
515 1HG ARG 69 1HG ARG 69 -1.259 -0.033 -13.582
516 2HG ARG 69 2HG ARG 69 -0.085 0.976 -12.760
517 1HD ARG 69 1HD ARG 69 0.804 -0.793 -11.615
518 2HD ARG 69 2HD ARG 69 -0.774 -1.419 -11.179
519 HE ARG 69 HE ARG 69 -0.423 -1.898 -13.959
520 1HH1 ARG 69 2HH2 ARG 69 0.993 -2.919 -10.905
521 2HH1 ARG 69 1HH2 ARG 69 1.482 -4.470 -11.503
522 1HH2 ARG 69 2HH1 ARG 69 0.221 -3.943 -14.749
523 2HH2 ARG 69 1HH1 ARG 69 1.040 -5.056 -13.705
524 H ALA 70 H ALA 70 -2.433 3.688 -11.863
525 HA ALA 70 HA ALA 70 -0.316 4.514 -13.434
526 1HB ALA 70 1HB ALA 70 -2.645 6.084 -12.258
527 2HB ALA 70 2HB ALA 70 -1.618 6.634 -13.603
528 3HB ALA 70 3HB ALA 70 -2.639 5.189 -13.797
529 H TRP 71 H TRP 71 -1.042 5.066 -10.002
530 HA TRP 71 HA TRP 71 0.699 7.273 -9.682
531 1HB TRP 71 1HB TRP 71 -1.027 6.992 -8.103
532 2HB TRP 71 2HB TRP 71 -0.598 5.322 -7.792
533 HD1 TRP 71 HD1 TRP 71 0.898 8.868 -7.154
534 HE1 TRP 71 HE1 TRP 71 2.377 8.873 -4.969
535 HE3 TRP 71 HE3 TRP 71 0.527 3.876 -6.262
536 HZ2 TRP 71 HZ2 TRP 71 3.208 6.834 -3.154
537 HZ3 TRP 71 HZ3 TRP 71 1.702 2.964 -4.262
538 HH2 TRP 71 HH2 TRP 71 3.008 4.355 -2.734
539 H LEU 72 H LEU 72 0.980 3.692 -9.490
540 HA LEU 72 HA LEU 72 3.559 3.657 -8.385
541 1HB LEU 72 1HB LEU 72 2.045 1.642 -10.049
542 2HB LEU 72 2HB LEU 72 3.584 1.320 -9.274
543 HG LEU 72 HG LEU 72 1.199 2.250 -7.677
544 1HD1 LEU 72 1HD1 LEU 72 0.105 0.363 -8.079
545 2HD1 LEU 72 2HD1 LEU 72 1.430 -0.241 -9.103
546 3HD1 LEU 72 3HD1 LEU 72 1.456 -0.537 -7.348
547 1HD2 LEU 72 1HD2 LEU 72 2.400 1.743 -5.829
548 2HD2 LEU 72 2HD2 LEU 72 3.232 0.372 -6.602
549 3HD2 LEU 72 3HD2 LEU 72 3.769 2.038 -6.927
550 H ASP 73 H ASP 73 2.379 3.405 -11.808
551 HA ASP 73 HA ASP 73 4.917 3.246 -12.893
552 1HB ASP 73 1HB ASP 73 2.178 4.015 -13.897
553 2HB ASP 73 2HB ASP 73 3.548 4.361 -14.932
554 H ALA 74 H ALA 74 2.694 5.990 -12.130
555 HA ALA 74 HA ALA 74 3.808 8.078 -13.395
556 1HB ALA 74 1HB ALA 74 2.471 7.662 -10.759
557 2HB ALA 74 2HB ALA 74 3.298 9.220 -10.997
558 3HB ALA 74 3HB ALA 74 2.014 8.713 -12.121
559 H ALA 75 H ALA 75 5.203 6.189 -10.722
560 HA ALA 75 HA ALA 75 7.140 6.322 -9.646
561 1HB ALA 75 1HB ALA 75 8.703 7.554 -11.783
562 2HB ALA 75 2HB ALA 75 8.768 5.895 -11.141
563 3HB ALA 75 3HB ALA 75 7.596 6.311 -12.415
564 HA PRO 76 HA PRO 76 8.147 10.302 -8.234
565 1HB PRO 76 1HB PRO 76 10.868 10.456 -8.022
566 2HB PRO 76 2HB PRO 76 9.863 9.605 -6.866
567 1HG PRO 76 1HG PRO 76 11.603 8.492 -8.981
568 2HG PRO 76 2HG PRO 76 10.939 7.691 -7.571
569 1HD PRO 76 1HD PRO 76 10.017 7.448 -10.276
570 2HD PRO 76 2HD PRO 76 9.283 6.739 -8.851
571 H HIS 77 H HIS 77 9.845 12.338 -8.482
572 HA HIS 77 HA HIS 77 9.622 12.878 -11.354
573 1HB HIS 77 1HB HIS 77 8.623 14.299 -9.078
574 2HB HIS 77 2HB HIS 77 9.846 15.292 -9.844
575 HD1 HIS 77 HD1 HIS 77 7.954 16.954 -10.622
576 HD2 HIS 77 HD2 HIS 77 7.683 13.092 -12.238
577 HE1 HIS 77 HE1 HIS 77 6.297 17.103 -12.556
578 H ALA 78 H ALA 78 11.488 13.849 -8.385
579 HA ALA 78 HA ALA 78 13.957 13.168 -9.520
580 1HB ALA 78 1HB ALA 78 14.830 15.187 -10.282
581 2HB ALA 78 2HB ALA 78 13.143 15.310 -10.835
582 3HB ALA 78 3HB ALA 78 13.661 16.162 -9.360
Start of MODEL 16
1 1H MET 1 1H MET 1 10.742 -1.068 -4.350
2 HA MET 1 HA MET 1 9.868 -2.855 -6.390
3 1HB MET 1 1HB MET 1 12.364 -3.311 -4.881
4 2HB MET 1 2HB MET 1 11.221 -4.609 -4.599
5 1HG MET 1 1HG MET 1 11.119 -5.198 -6.908
6 2HG MET 1 2HG MET 1 11.742 -3.646 -7.431
7 1HE MET 1 1HE MET 1 14.504 -3.414 -8.015
8 2HE MET 1 2HE MET 1 14.888 -5.063 -8.565
9 3HE MET 1 3HE MET 1 13.287 -4.362 -8.903
10 H ALA 2 H ALA 2 10.611 -2.619 -2.835
11 HA ALA 2 HA ALA 2 8.064 -3.916 -2.280
12 1HB ALA 2 1HB ALA 2 9.966 -4.781 -1.078
13 2HB ALA 2 2HB ALA 2 10.465 -3.146 -0.579
14 3HB ALA 2 3HB ALA 2 8.976 -3.863 0.082
15 H LEU 3 H LEU 3 6.311 -2.875 -1.349
16 HA LEU 3 HA LEU 3 6.593 0.034 -1.160
17 1HB LEU 3 1HB LEU 3 4.322 -1.807 -1.824
18 2HB LEU 3 2HB LEU 3 3.997 -0.202 -1.199
19 HG LEU 3 HG LEU 3 5.922 -0.184 -3.410
20 1HD1 LEU 3 1HD1 LEU 3 4.931 -1.752 -4.670
21 2HD1 LEU 3 2HD1 LEU 3 3.449 -1.759 -3.685
22 3HD1 LEU 3 3HD1 LEU 3 3.682 -0.512 -4.934
23 1HD2 LEU 3 1HD2 LEU 3 3.276 1.221 -2.948
24 2HD2 LEU 3 2HD2 LEU 3 4.889 1.835 -2.514
25 3HD2 LEU 3 3HD2 LEU 3 4.456 1.604 -4.225
26 H THR 4 H THR 4 4.562 0.770 0.479
27 HA THR 4 HA THR 4 4.679 -0.845 2.889
28 HB THR 4 HB THR 4 5.801 2.001 2.695
29 HG1 THR 4 HG1 THR 4 7.683 0.825 2.643
30 1HG2 THR 4 1HG2 THR 4 5.365 2.126 4.939
31 2HG2 THR 4 2HG2 THR 4 4.739 0.459 4.959
32 3HG2 THR 4 3HG2 THR 4 6.484 0.757 5.150
33 H LEU 5 H LEU 5 2.544 -1.151 3.160
34 HA LEU 5 HA LEU 5 0.881 1.267 3.016
35 1HB LEU 5 1HB LEU 5 0.061 -0.025 1.317
36 2HB LEU 5 2HB LEU 5 0.446 -1.538 2.113
37 HG LEU 5 HG LEU 5 -1.439 -0.785 3.803
38 1HD1 LEU 5 1HD1 LEU 5 -3.240 0.299 2.114
39 2HD1 LEU 5 2HD1 LEU 5 -2.231 1.249 3.231
40 3HD1 LEU 5 3HD1 LEU 5 -1.755 1.082 1.524
41 1HD2 LEU 5 1HD2 LEU 5 -2.699 -2.404 2.874
42 2HD2 LEU 5 2HD2 LEU 5 -2.638 -1.678 1.250
43 3HD2 LEU 5 3HD2 LEU 5 -1.266 -2.643 1.846
44 H TYR 6 H TYR 6 0.603 2.026 5.051
45 HA TYR 6 HA TYR 6 0.874 0.412 7.335
46 1HB TYR 6 1HB TYR 6 -0.404 3.124 6.646
47 2HB TYR 6 2HB TYR 6 -0.308 2.562 8.303
48 HD1 TYR 6 HD1 TYR 6 1.451 4.171 5.597
49 HD2 TYR 6 HD2 TYR 6 1.990 2.132 9.320
50 HE1 TYR 6 HE1 TYR 6 3.791 5.145 5.800
51 HE2 TYR 6 HE2 TYR 6 4.329 3.113 9.509
52 HH TYR 6 HH TYR 6 6.069 3.950 7.824
53 H GLN 7 H GLN 7 -0.591 -0.687 8.606
54 HA GLN 7 HA GLN 7 -3.388 -0.273 8.101
55 1HB GLN 7 1HB GLN 7 -3.851 -2.672 7.692
56 2HB GLN 7 2HB GLN 7 -2.828 -1.999 6.438
57 1HG GLN 7 1HG GLN 7 -0.866 -3.066 7.290
58 2HG GLN 7 2HG GLN 7 -1.594 -3.360 8.857
59 1HE2 GLN 7 1HE2 GLN 7 -1.682 -5.466 9.100
60 2HE2 GLN 7 2HE2 GLN 7 -2.358 -6.615 7.993
61 H ARG 8 H ARG 8 -4.745 -1.600 9.732
62 HA ARG 8 HA ARG 8 -3.232 -2.472 12.001
63 1HB ARG 8 1HB ARG 8 -3.587 0.057 12.266
64 2HB ARG 8 2HB ARG 8 -5.311 -0.252 12.326
65 1HG ARG 8 1HG ARG 8 -4.546 -2.031 14.213
66 2HG ARG 8 2HG ARG 8 -3.184 -0.936 14.346
67 1HD ARG 8 1HD ARG 8 -4.574 0.918 14.951
68 2HD ARG 8 2HD ARG 8 -6.027 0.142 14.355
69 HE ARG 8 HE ARG 8 -4.856 -1.463 16.445
70 1HH1 ARG 8 2HH2 ARG 8 -6.667 1.512 15.944
71 2HH1 ARG 8 1HH2 ARG 8 -7.395 1.484 17.515
72 1HH2 ARG 8 2HH1 ARG 8 -5.817 -1.501 18.518
73 2HH2 ARG 8 1HH1 ARG 8 -6.909 -0.242 18.989
74 H ASP 9 H ASP 9 -4.197 -4.428 12.445
75 HA ASP 9 HA ASP 9 -5.689 -5.986 12.668
76 1HB ASP 9 1HB ASP 9 -6.528 -4.187 14.358
77 2HB ASP 9 2HB ASP 9 -7.781 -3.834 13.185
78 H ASP 10 H ASP 10 -8.063 -6.746 11.869
79 HA ASP 10 HA ASP 10 -8.087 -6.312 9.100
80 1HB ASP 10 1HB ASP 10 -8.936 -8.324 10.669
81 2HB ASP 10 2HB ASP 10 -10.460 -7.466 10.570
82 H CYS 11 H CYS 11 -8.569 -4.076 8.658
83 HA CYS 11 HA CYS 11 -11.151 -3.147 9.679
84 1HB CYS 11 1HB CYS 11 -8.822 -1.893 10.073
85 2HB CYS 11 2HB CYS 11 -9.178 -1.238 8.488
86 HG CYS 11 HG CYS 11 -11.008 0.207 9.030
87 H HIS 12 H HIS 12 -12.368 -1.715 8.048
88 HA HIS 12 HA HIS 12 -12.437 -3.109 5.557
89 1HB HIS 12 1HB HIS 12 -14.417 -2.244 6.938
90 2HB HIS 12 2HB HIS 12 -14.025 -0.653 6.316
91 HD1 HIS 12 HD1 HIS 12 -16.325 -3.200 5.660
92 HD2 HIS 12 HD2 HIS 12 -13.725 -1.022 3.192
93 HE1 HIS 12 HE1 HIS 12 -17.264 -3.383 3.294
94 H LEU 13 H LEU 13 -11.849 0.325 6.592
95 HA LEU 13 HA LEU 13 -11.320 1.425 4.173
96 1HB LEU 13 1HB LEU 13 -11.332 2.364 6.609
97 2HB LEU 13 2HB LEU 13 -9.604 2.079 6.541
98 HG LEU 13 HG LEU 13 -9.593 3.486 4.405
99 1HD1 LEU 13 1HD1 LEU 13 -12.279 4.424 5.438
100 2HD1 LEU 13 2HD1 LEU 13 -11.407 4.990 3.993
101 3HD1 LEU 13 3HD1 LEU 13 -12.064 3.336 4.046
102 1HD2 LEU 13 1HD2 LEU 13 -8.584 4.496 6.220
103 2HD2 LEU 13 2HD2 LEU 13 -9.872 5.657 5.820
104 3HD2 LEU 13 3HD2 LEU 13 -10.083 4.526 7.178
105 H CYS 14 H CYS 14 -9.253 -0.756 6.112
106 HA CYS 14 HA CYS 14 -6.986 -0.362 4.443
107 1HB CYS 14 1HB CYS 14 -7.607 -2.490 6.517
108 2HB CYS 14 2HB CYS 14 -6.068 -2.328 5.695
109 HG CYS 14 HG CYS 14 -6.699 0.552 6.434
110 H ASP 15 H ASP 15 -9.577 -2.863 4.863
111 HA ASP 15 HA ASP 15 -8.700 -4.718 3.120
112 1HB ASP 15 1HB ASP 15 -11.105 -4.113 4.468
113 2HB ASP 15 2HB ASP 15 -11.580 -4.196 2.783
114 H GLN 16 H GLN 16 -10.787 -1.808 2.456
115 HA GLN 16 HA GLN 16 -11.074 -2.253 -0.248
116 1HB GLN 16 1HB GLN 16 -11.442 0.023 1.631
117 2HB GLN 16 2HB GLN 16 -11.196 0.494 -0.039
118 1HG GLN 16 1HG GLN 16 -12.989 -1.628 -0.285
119 2HG GLN 16 2HG GLN 16 -13.509 -0.878 1.211
120 1HE2 GLN 16 1HE2 GLN 16 -14.381 1.143 1.229
121 2HE2 GLN 16 2HE2 GLN 16 -14.831 2.026 -0.191
122 H ALA 17 H ALA 17 -8.428 -0.818 1.650
123 HA ALA 17 HA ALA 17 -7.134 0.403 -0.560
124 1HB ALA 17 1HB ALA 17 -5.284 -0.222 1.521
125 2HB ALA 17 2HB ALA 17 -6.068 1.339 1.180
126 3HB ALA 17 3HB ALA 17 -6.834 0.184 2.296
127 H VAL 18 H VAL 18 -6.649 -2.686 1.284
128 HA VAL 18 HA VAL 18 -4.506 -3.576 -0.265
129 HB VAL 18 HB VAL 18 -6.585 -4.999 1.400
130 1HG1 VAL 18 1HG1 VAL 18 -4.012 -6.156 0.273
131 2HG1 VAL 18 2HG1 VAL 18 -5.168 -6.978 1.347
132 3HG1 VAL 18 3HG1 VAL 18 -5.651 -6.535 -0.308
133 1HG2 VAL 18 1HG2 VAL 18 -5.298 -3.675 2.834
134 2HG2 VAL 18 2HG2 VAL 18 -4.483 -5.257 2.895
135 3HG2 VAL 18 3HG2 VAL 18 -3.804 -3.944 1.904
136 H GLU 19 H GLU 19 -8.052 -3.729 -0.700
137 HA GLU 19 HA GLU 19 -8.076 -5.660 -2.669
138 1HB GLU 19 1HB GLU 19 -9.948 -4.031 -1.369
139 2HB GLU 19 2HB GLU 19 -10.082 -3.534 -3.044
140 1HG GLU 19 1HG GLU 19 -9.882 -6.455 -2.827
141 2HG GLU 19 2HG GLU 19 -11.214 -5.844 -1.865
142 H ALA 20 H ALA 20 -7.883 -2.045 -2.912
143 HA ALA 20 HA ALA 20 -7.832 -1.936 -5.695
144 1HB ALA 20 1HB ALA 20 -6.871 0.330 -5.302
145 2HB ALA 20 2HB ALA 20 -8.280 -0.002 -4.265
146 3HB ALA 20 3HB ALA 20 -6.636 -0.091 -3.588
147 H LEU 21 H LEU 21 -5.274 -2.485 -3.239
148 HA LEU 21 HA LEU 21 -3.102 -2.174 -4.976
149 1HB LEU 21 1HB LEU 21 -3.620 -3.167 -2.270
150 2HB LEU 21 2HB LEU 21 -2.289 -3.982 -3.066
151 HG LEU 21 HG LEU 21 -2.385 -0.982 -3.092
152 1HD1 LEU 21 1HD1 LEU 21 -2.166 -2.655 -0.693
153 2HD1 LEU 21 2HD1 LEU 21 -0.805 -1.529 -0.912
154 3HD1 LEU 21 3HD1 LEU 21 -2.473 -0.909 -0.859
155 1HD2 LEU 21 1HD2 LEU 21 -0.617 -2.888 -4.074
156 2HD2 LEU 21 2HD2 LEU 21 -0.309 -1.147 -3.874
157 3HD2 LEU 21 3HD2 LEU 21 0.167 -2.287 -2.594
158 H ALA 22 H ALA 22 -4.775 -5.186 -3.811
159 HA ALA 22 HA ALA 22 -3.359 -6.947 -5.394
160 1HB ALA 22 1HB ALA 22 -6.248 -7.510 -4.960
161 2HB ALA 22 2HB ALA 22 -4.816 -8.477 -4.534
162 3HB ALA 22 3HB ALA 22 -5.310 -7.116 -3.499
163 H GLN 23 H GLN 23 -6.401 -5.111 -6.091
164 HA GLN 23 HA GLN 23 -6.914 -6.239 -8.529
165 1HB GLN 23 1HB GLN 23 -7.555 -3.606 -7.223
166 2HB GLN 23 2HB GLN 23 -7.888 -3.761 -8.936
167 1HG GLN 23 1HG GLN 23 -8.851 -6.172 -7.799
168 2HG GLN 23 2HG GLN 23 -9.321 -4.927 -6.659
169 1HE2 GLN 23 1HE2 GLN 23 -11.486 -5.204 -7.172
170 2HE2 GLN 23 2HE2 GLN 23 -12.198 -4.593 -8.628
171 H ALA 24 H ALA 24 -4.913 -3.325 -7.718
172 HA ALA 24 HA ALA 24 -4.223 -2.791 -10.402
173 1HB ALA 24 1HB ALA 24 -2.957 -1.064 -9.495
174 2HB ALA 24 2HB ALA 24 -4.142 -1.338 -8.195
175 3HB ALA 24 3HB ALA 24 -2.500 -2.011 -8.059
176 H ARG 25 H ARG 25 -3.416 -5.357 -8.308
177 HA ARG 25 HA ARG 25 -1.955 -6.946 -8.369
178 1HB ARG 25 1HB ARG 25 -1.964 -6.002 -11.215
179 2HB ARG 25 2HB ARG 25 -0.613 -7.025 -10.767
180 1HG ARG 25 1HG ARG 25 -3.094 -8.119 -9.681
181 2HG ARG 25 2HG ARG 25 -3.266 -7.845 -11.403
182 1HD ARG 25 1HD ARG 25 -0.679 -8.974 -11.116
183 2HD ARG 25 2HD ARG 25 -1.684 -9.883 -10.005
184 HE ARG 25 HE ARG 25 -3.012 -9.545 -12.562
185 1HH1 ARG 25 2HH2 ARG 25 -0.528 -11.420 -10.921
186 2HH1 ARG 25 1HH2 ARG 25 -0.688 -12.789 -11.971
187 1HH2 ARG 25 2HH1 ARG 25 -3.224 -11.350 -13.947
188 2HH2 ARG 25 1HH1 ARG 25 -2.231 -12.749 -13.703
189 H ALA 26 H ALA 26 -1.083 -4.499 -7.200
190 HA ALA 26 HA ALA 26 1.263 -3.418 -8.068
191 1HB ALA 26 1HB ALA 26 0.602 -4.077 -5.174
192 2HB ALA 26 2HB ALA 26 1.576 -2.719 -5.787
193 3HB ALA 26 3HB ALA 26 -0.178 -2.762 -6.086
194 H GLY 27 H GLY 27 0.980 -6.154 -5.681
195 1HA GLY 27 1HA GLY 27 2.387 -8.123 -6.470
196 2HA GLY 27 2HA GLY 27 3.705 -6.968 -6.471
197 H ALA 28 H ALA 28 4.985 -7.608 -4.758
198 HA ALA 28 HA ALA 28 3.638 -8.148 -2.218
199 1HB ALA 28 1HB ALA 28 5.061 -9.913 -2.438
200 2HB ALA 28 2HB ALA 28 6.121 -9.048 -3.577
201 3HB ALA 28 3HB ALA 28 6.271 -8.760 -1.827
202 H PHE 29 H PHE 29 4.579 -7.191 -0.227
203 HA PHE 29 HA PHE 29 6.385 -5.021 -0.464
204 1HB PHE 29 1HB PHE 29 4.613 -3.315 0.272
205 2HB PHE 29 2HB PHE 29 4.389 -3.892 -1.368
206 HD1 PHE 29 HD1 PHE 29 2.384 -4.937 -2.008
207 HD2 PHE 29 HD2 PHE 29 3.209 -4.370 2.116
208 HE1 PHE 29 HE1 PHE 29 0.039 -5.631 -1.444
209 HE2 PHE 29 HE2 PHE 29 0.864 -5.065 2.680
210 HZ PHE 29 HZ PHE 29 -0.693 -5.687 0.894
211 H PHE 30 H PHE 30 6.092 -3.623 1.785
212 HA PHE 30 HA PHE 30 6.055 -5.707 3.834
213 1HB PHE 30 1HB PHE 30 7.153 -2.832 3.753
214 2HB PHE 30 2HB PHE 30 7.412 -3.954 5.074
215 HD1 PHE 30 HD1 PHE 30 9.112 -2.476 2.604
216 HD2 PHE 30 HD2 PHE 30 8.210 -6.417 3.892
217 HE1 PHE 30 HE1 PHE 30 11.193 -3.319 1.481
218 HE2 PHE 30 HE2 PHE 30 10.290 -7.260 2.768
219 HZ PHE 30 HZ PHE 30 11.757 -5.701 1.576
220 H SER 31 H SER 31 4.662 -5.632 5.579
221 HA SER 31 HA SER 31 2.692 -3.511 5.443
222 1HB SER 31 1HB SER 31 2.729 -6.320 6.537
223 2HB SER 31 2HB SER 31 1.609 -5.173 7.245
224 HG SER 31 HG SER 31 1.759 -6.053 4.500
225 H VAL 32 H VAL 32 2.523 -1.953 7.048
226 HA VAL 32 HA VAL 32 4.201 -2.376 9.425
227 HB VAL 32 HB VAL 32 3.602 0.178 7.918
228 1HG1 VAL 32 1HG1 VAL 32 3.740 0.536 10.355
229 2HG1 VAL 32 2HG1 VAL 32 5.333 -0.257 10.376
230 3HG1 VAL 32 3HG1 VAL 32 5.113 1.275 9.496
231 1HG2 VAL 32 1HG2 VAL 32 5.222 -0.843 6.621
232 2HG2 VAL 32 2HG2 VAL 32 6.225 0.072 7.772
233 3HG2 VAL 32 3HG2 VAL 32 5.967 -1.673 8.009
234 H PHE 33 H PHE 33 3.260 -2.021 11.425
235 HA PHE 33 HA PHE 33 0.384 -1.526 11.326
236 1HB PHE 33 1HB PHE 33 2.212 -2.492 13.601
237 2HB PHE 33 2HB PHE 33 0.466 -2.625 13.560
238 HD1 PHE 33 HD1 PHE 33 3.574 -4.178 12.678
239 HD2 PHE 33 HD2 PHE 33 -0.587 -4.166 11.844
240 HE1 PHE 33 HE1 PHE 33 3.772 -6.461 11.654
241 HE2 PHE 33 HE2 PHE 33 -0.389 -6.449 10.820
242 HZ PHE 33 HZ PHE 33 1.788 -7.569 10.737
243 H ILE 34 H ILE 34 -0.444 0.395 12.000
244 HA ILE 34 HA ILE 34 1.350 2.353 13.075
245 HB ILE 34 HB ILE 34 -0.461 3.871 12.828
246 1HG1 ILE 34 1HG1 ILE 34 -2.476 1.909 11.913
247 2HG1 ILE 34 2HG1 ILE 34 -2.110 1.844 13.626
248 1HG2 ILE 34 1HG2 ILE 34 0.600 2.360 10.742
249 2HG2 ILE 34 2HG2 ILE 34 -1.147 2.418 10.408
250 3HG2 ILE 34 3HG2 ILE 34 -0.231 3.929 10.617
251 1HD1 ILE 34 1HD1 ILE 34 -3.956 3.523 12.698
252 2HD1 ILE 34 2HD1 ILE 34 -2.879 4.015 14.027
253 3HD1 ILE 34 3HD1 ILE 34 -2.542 4.551 12.363
254 H ASP 35 H ASP 35 -0.547 -0.202 14.351
255 HA ASP 35 HA ASP 35 -1.561 0.916 16.633
256 1HB ASP 35 1HB ASP 35 -1.853 -1.297 17.384
257 2HB ASP 35 2HB ASP 35 -1.773 -1.494 15.644
258 H ASP 36 H ASP 36 -0.677 1.162 18.798
259 HA ASP 36 HA ASP 36 0.839 1.200 20.388
260 1HB ASP 36 1HB ASP 36 1.960 -0.764 18.796
261 2HB ASP 36 2HB ASP 36 3.219 0.455 18.748
262 H ASP 37 H ASP 37 2.306 1.910 17.125
263 HA ASP 37 HA ASP 37 3.869 4.019 18.063
264 1HB ASP 37 1HB ASP 37 2.897 3.107 15.340
265 2HB ASP 37 2HB ASP 37 3.752 4.631 15.479
266 H ALA 38 H ALA 38 2.348 5.381 19.302
267 HA ALA 38 HA ALA 38 -0.063 6.333 18.351
268 1HB ALA 38 1HB ALA 38 1.927 7.065 20.441
269 2HB ALA 38 2HB ALA 38 0.795 8.352 19.959
270 3HB ALA 38 3HB ALA 38 0.172 6.802 20.573
271 H ALA 39 H ALA 39 3.298 7.533 17.876
272 HA ALA 39 HA ALA 39 2.729 9.970 16.739
273 1HB ALA 39 1HB ALA 39 4.945 7.939 16.406
274 2HB ALA 39 2HB ALA 39 4.947 9.451 15.466
275 3HB ALA 39 3HB ALA 39 4.977 9.509 17.245
276 H LEU 40 H LEU 40 2.922 6.698 15.199
277 HA LEU 40 HA LEU 40 2.335 7.705 12.616
278 1HB LEU 40 1HB LEU 40 2.091 4.892 13.687
279 2HB LEU 40 2HB LEU 40 2.136 5.367 12.001
280 HG LEU 40 HG LEU 40 4.413 5.836 13.943
281 1HD1 LEU 40 1HD1 LEU 40 4.279 3.652 11.859
282 2HD1 LEU 40 2HD1 LEU 40 5.485 3.886 13.147
283 3HD1 LEU 40 3HD1 LEU 40 3.823 3.401 13.561
284 1HD2 LEU 40 1HD2 LEU 40 4.694 5.750 10.960
285 2HD2 LEU 40 2HD2 LEU 40 4.076 7.224 11.744
286 3HD2 LEU 40 3HD2 LEU 40 5.681 6.591 12.179
287 H GLU 41 H GLU 41 0.438 6.656 15.427
288 HA GLU 41 HA GLU 41 -1.944 6.252 14.024
289 1HB GLU 41 1HB GLU 41 -1.359 6.888 16.944
290 2HB GLU 41 2HB GLU 41 -2.975 6.552 16.356
291 1HG GLU 41 1HG GLU 41 -1.352 4.477 15.288
292 2HG GLU 41 2HG GLU 41 -0.801 4.684 16.938
293 H SER 42 H SER 42 -0.610 9.075 15.869
294 HA SER 42 HA SER 42 -2.858 10.671 15.291
295 1HB SER 42 1HB SER 42 -0.617 10.808 16.995
296 2HB SER 42 2HB SER 42 -0.400 12.158 15.899
297 HG SER 42 HG SER 42 -2.571 11.634 17.708
298 H ALA 43 H ALA 43 0.214 9.913 13.698
299 HA ALA 43 HA ALA 43 0.249 12.190 12.002
300 1HB ALA 43 1HB ALA 43 2.332 11.176 12.312
301 2HB ALA 43 2HB ALA 43 1.670 9.531 12.153
302 3HB ALA 43 3HB ALA 43 1.854 10.559 10.712
303 H TYR 44 H TYR 44 -0.940 8.789 11.736
304 HA TYR 44 HA TYR 44 -2.184 9.543 9.183
305 1HB TYR 44 1HB TYR 44 -1.487 6.880 10.572
306 2HB TYR 44 2HB TYR 44 -2.297 6.966 9.020
307 HD1 TYR 44 HD1 TYR 44 0.704 6.171 10.351
308 HD2 TYR 44 HD2 TYR 44 -0.889 8.861 7.430
309 HE1 TYR 44 HE1 TYR 44 2.956 6.238 9.174
310 HE2 TYR 44 HE2 TYR 44 1.369 8.918 6.263
311 HH TYR 44 HH TYR 44 3.409 7.086 6.200
312 H GLY 45 H GLY 45 -2.855 7.213 11.895
313 1HA GLY 45 1HA GLY 45 -4.763 6.705 12.966
314 2HA GLY 45 2HA GLY 45 -5.204 8.392 12.794
315 H LEU 46 H LEU 46 -6.373 9.103 10.837
316 HA LEU 46 HA LEU 46 -8.224 7.080 10.000
317 1HB LEU 46 1HB LEU 46 -8.187 9.896 10.282
318 2HB LEU 46 2HB LEU 46 -8.494 9.563 8.589
319 HG LEU 46 HG LEU 46 -10.563 9.823 9.877
320 1HD1 LEU 46 1HD1 LEU 46 -11.441 7.355 9.324
321 2HD1 LEU 46 2HD1 LEU 46 -11.102 8.570 8.067
322 3HD1 LEU 46 3HD1 LEU 46 -9.899 7.310 8.434
323 1HD2 LEU 46 1HD2 LEU 46 -10.608 9.084 11.975
324 2HD2 LEU 46 2HD2 LEU 46 -10.863 7.456 11.303
325 3HD2 LEU 46 3HD2 LEU 46 -9.218 8.004 11.707
326 H ARG 47 H ARG 47 -5.294 8.633 8.780
327 HA ARG 47 HA ARG 47 -5.826 7.668 6.131
328 1HB ARG 47 1HB ARG 47 -3.437 9.153 7.334
329 2HB ARG 47 2HB ARG 47 -3.554 8.717 5.640
330 1HG ARG 47 1HG ARG 47 -4.788 10.572 5.232
331 2HG ARG 47 2HG ARG 47 -6.022 10.011 6.342
332 1HD ARG 47 1HD ARG 47 -5.412 11.536 7.918
333 2HD ARG 47 2HD ARG 47 -3.733 11.039 7.841
334 HE ARG 47 HE ARG 47 -3.287 12.829 6.397
335 1HH1 ARG 47 2HH2 ARG 47 -6.761 12.288 6.531
336 2HH1 ARG 47 1HH2 ARG 47 -7.147 13.716 5.630
337 1HH2 ARG 47 2HH1 ARG 47 -3.795 14.713 5.208
338 2HH2 ARG 47 1HH1 ARG 47 -5.449 15.104 4.872
339 H VAL 48 H VAL 48 -5.643 5.651 8.218
340 HA VAL 48 HA VAL 48 -3.135 4.537 8.530
341 HB VAL 48 HB VAL 48 -5.953 3.691 8.757
342 1HG1 VAL 48 1HG1 VAL 48 -3.732 1.631 8.541
343 2HG1 VAL 48 2HG1 VAL 48 -5.395 1.313 9.090
344 3HG1 VAL 48 3HG1 VAL 48 -5.095 1.835 7.415
345 1HG2 VAL 48 1HG2 VAL 48 -4.066 4.542 10.502
346 2HG2 VAL 48 2HG2 VAL 48 -5.452 3.525 10.963
347 3HG2 VAL 48 3HG2 VAL 48 -3.864 2.781 10.659
348 HA PRO 49 HA PRO 49 -4.005 2.234 4.485
349 1HB PRO 49 1HB PRO 49 -6.031 3.074 2.854
350 2HB PRO 49 2HB PRO 49 -6.203 1.755 3.995
351 1HG PRO 49 1HG PRO 49 -7.242 4.515 4.184
352 2HG PRO 49 2HG PRO 49 -7.743 3.090 5.073
353 1HD PRO 49 1HD PRO 49 -6.101 5.231 6.047
354 2HD PRO 49 2HD PRO 49 -6.506 3.752 6.894
355 H VAL 50 H VAL 50 -2.052 3.748 4.670
356 HA VAL 50 HA VAL 50 -2.205 5.563 2.364
357 HB VAL 50 HB VAL 50 -0.783 5.673 4.996
358 1HG1 VAL 50 1HG1 VAL 50 1.074 5.916 3.520
359 2HG1 VAL 50 2HG1 VAL 50 0.153 6.970 2.421
360 3HG1 VAL 50 3HG1 VAL 50 0.615 7.556 4.037
361 1HG2 VAL 50 1HG2 VAL 50 -3.019 6.854 4.306
362 2HG2 VAL 50 2HG2 VAL 50 -1.791 7.747 5.233
363 3HG2 VAL 50 3HG2 VAL 50 -1.937 7.998 3.477
364 H LEU 51 H LEU 51 -0.791 5.268 0.667
365 HA LEU 51 HA LEU 51 0.987 2.951 0.941
366 1HB LEU 51 1HB LEU 51 -0.955 3.718 -1.022
367 2HB LEU 51 2HB LEU 51 0.628 3.679 -1.773
368 HG LEU 51 HG LEU 51 -0.538 1.388 -0.170
369 1HD1 LEU 51 1HD1 LEU 51 -1.476 0.476 -2.024
370 2HD1 LEU 51 2HD1 LEU 51 -1.628 2.192 -2.474
371 3HD1 LEU 51 3HD1 LEU 51 -0.293 1.215 -3.130
372 1HD2 LEU 51 1HD2 LEU 51 2.095 1.902 -0.951
373 2HD2 LEU 51 2HD2 LEU 51 1.418 0.356 -0.386
374 3HD2 LEU 51 3HD2 LEU 51 1.489 0.713 -2.128
375 H ARG 52 H ARG 52 3.137 3.321 0.999
376 HA ARG 52 HA ARG 52 4.034 5.788 -0.248
377 1HB ARG 52 1HB ARG 52 5.578 6.205 1.606
378 2HB ARG 52 2HB ARG 52 3.967 6.012 2.269
379 1HG ARG 52 1HG ARG 52 4.525 3.552 2.690
380 2HG ARG 52 2HG ARG 52 6.173 3.902 2.209
381 1HD ARG 52 1HD ARG 52 5.091 5.791 4.237
382 2HD ARG 52 2HD ARG 52 5.190 4.133 4.796
383 HE ARG 52 HE ARG 52 7.552 4.211 4.627
384 1HH1 ARG 52 2HH2 ARG 52 6.112 7.109 3.244
385 2HH1 ARG 52 1HH2 ARG 52 7.615 7.964 3.147
386 1HH2 ARG 52 2HH1 ARG 52 9.535 5.339 4.500
387 2HH2 ARG 52 1HH1 ARG 52 9.575 6.951 3.866
388 H ASP 53 H ASP 53 6.112 5.651 -1.287
389 HA ASP 53 HA ASP 53 7.280 2.983 -1.231
390 1HB ASP 53 1HB ASP 53 6.038 4.319 -3.443
391 2HB ASP 53 2HB ASP 53 7.761 4.338 -3.761
392 HA PRO 54 HA PRO 54 11.082 5.165 -0.978
393 1HB PRO 54 1HB PRO 54 12.827 3.810 -2.586
394 2HB PRO 54 2HB PRO 54 12.365 3.253 -0.991
395 1HG PRO 54 1HG PRO 54 11.502 2.238 -3.630
396 2HG PRO 54 2HG PRO 54 11.401 1.454 -2.066
397 1HD PRO 54 1HD PRO 54 9.253 2.698 -3.504
398 2HD PRO 54 2HD PRO 54 9.179 2.017 -1.891
399 H MET 55 H MET 55 10.598 4.428 -4.399
400 HA MET 55 HA MET 55 11.418 7.190 -4.876
401 1HB MET 55 1HB MET 55 12.195 6.371 -7.118
402 2HB MET 55 2HB MET 55 13.004 5.513 -5.822
403 1HG MET 55 1HG MET 55 12.274 3.559 -6.719
404 2HG MET 55 2HG MET 55 10.632 4.024 -6.320
405 1HE MET 55 1HE MET 55 13.406 5.277 -8.567
406 2HE MET 55 2HE MET 55 13.252 3.698 -9.376
407 3HE MET 55 3HE MET 55 12.758 5.184 -10.223
408 H GLY 56 H GLY 56 8.969 4.708 -5.247
409 1HA GLY 56 1HA GLY 56 7.564 5.877 -7.438
410 2HA GLY 56 2HA GLY 56 6.987 4.648 -6.330
411 H ARG 57 H ARG 57 7.988 6.785 -4.124
412 HA ARG 57 HA ARG 57 7.155 8.445 -2.997
413 1HB ARG 57 1HB ARG 57 5.079 8.953 -5.180
414 2HB ARG 57 2HB ARG 57 5.630 10.090 -3.965
415 1HG ARG 57 1HG ARG 57 8.031 9.494 -5.103
416 2HG ARG 57 2HG ARG 57 6.994 9.186 -6.482
417 1HD ARG 57 1HD ARG 57 6.845 11.417 -6.869
418 2HD ARG 57 2HD ARG 57 6.076 11.638 -5.310
419 HE ARG 57 HE ARG 57 8.863 11.361 -4.830
420 1HH1 ARG 57 2HH2 ARG 57 6.671 13.609 -6.418
421 2HH1 ARG 57 1HH2 ARG 57 7.689 14.986 -6.155
422 1HH2 ARG 57 2HH1 ARG 57 10.206 13.177 -4.482
423 2HH2 ARG 57 1HH1 ARG 57 9.713 14.739 -5.047
424 H GLU 58 H GLU 58 4.485 9.322 -2.512
425 HA GLU 58 HA GLU 58 3.247 6.785 -1.776
426 1HB GLU 58 1HB GLU 58 2.172 8.185 0.094
427 2HB GLU 58 2HB GLU 58 3.888 7.862 0.246
428 1HG GLU 58 1HG GLU 58 2.978 10.378 -1.174
429 2HG GLU 58 2HG GLU 58 2.955 10.329 0.578
430 H LEU 59 H LEU 59 0.852 6.724 -1.770
431 HA LEU 59 HA LEU 59 -0.287 8.763 -3.552
432 1HB LEU 59 1HB LEU 59 0.155 6.641 -4.722
433 2HB LEU 59 2HB LEU 59 -0.848 5.793 -3.562
434 HG LEU 59 HG LEU 59 -2.806 7.127 -4.295
435 1HD1 LEU 59 1HD1 LEU 59 -1.963 8.099 -6.802
436 2HD1 LEU 59 2HD1 LEU 59 -2.510 9.033 -5.388
437 3HD1 LEU 59 3HD1 LEU 59 -0.778 8.689 -5.612
438 1HD2 LEU 59 1HD2 LEU 59 -1.336 5.562 -6.430
439 2HD2 LEU 59 2HD2 LEU 59 -2.510 4.945 -5.243
440 3HD2 LEU 59 3HD2 LEU 59 -3.045 6.049 -6.534
441 H ASP 60 H ASP 60 -2.469 9.377 -3.131
442 HA ASP 60 HA ASP 60 -3.109 9.622 -0.518
443 1HB ASP 60 1HB ASP 60 -4.214 10.377 -2.971
444 2HB ASP 60 2HB ASP 60 -5.473 9.365 -2.292
445 H TRP 61 H TRP 61 -5.096 8.652 0.658
446 HA TRP 61 HA TRP 61 -4.906 5.838 0.663
447 1HB TRP 61 1HB TRP 61 -5.544 6.348 2.720
448 2HB TRP 61 2HB TRP 61 -6.134 7.927 2.243
449 HD1 TRP 61 HD1 TRP 61 -8.600 8.090 3.079
450 HE1 TRP 61 HE1 TRP 61 -10.788 6.614 3.095
451 HE3 TRP 61 HE3 TRP 61 -6.465 3.966 1.008
452 HZ2 TRP 61 HZ2 TRP 61 -11.367 3.947 2.258
453 HZ3 TRP 61 HZ3 TRP 61 -7.911 1.969 0.641
454 HH2 TRP 61 HH2 TRP 61 -10.282 1.916 1.230
455 HA PRO 62 HA PRO 62 -9.097 6.213 -1.533
456 1HB PRO 62 1HB PRO 62 -9.959 8.642 -2.439
457 2HB PRO 62 2HB PRO 62 -10.454 7.962 -0.901
458 1HG PRO 62 1HG PRO 62 -8.529 10.142 -1.430
459 2HG PRO 62 2HG PRO 62 -9.347 9.739 0.066
460 1HD PRO 62 1HD PRO 62 -6.615 9.176 -0.601
461 2HD PRO 62 2HD PRO 62 -7.466 8.672 0.846
462 H PHE 63 H PHE 63 -8.789 5.074 -3.329
463 HA PHE 63 HA PHE 63 -8.049 6.552 -5.665
464 1HB PHE 63 1HB PHE 63 -6.118 4.667 -5.906
465 2HB PHE 63 2HB PHE 63 -5.787 6.178 -5.081
466 HD1 PHE 63 HD1 PHE 63 -7.742 3.278 -3.818
467 HD2 PHE 63 HD2 PHE 63 -4.182 5.565 -3.499
468 HE1 PHE 63 HE1 PHE 63 -7.112 2.008 -1.747
469 HE2 PHE 63 HE2 PHE 63 -3.552 4.295 -1.427
470 HZ PHE 63 HZ PHE 63 -5.025 2.532 -0.576
471 H ASP 64 H ASP 64 -7.683 4.816 -7.563
472 HA ASP 64 HA ASP 64 -9.761 2.819 -7.125
473 1HB ASP 64 1HB ASP 64 -8.834 3.915 -9.812
474 2HB ASP 64 2HB ASP 64 -10.289 2.995 -9.488
475 H ALA 65 H ALA 65 -9.347 1.144 -9.312
476 HA ALA 65 HA ALA 65 -6.919 -0.177 -8.579
477 1HB ALA 65 1HB ALA 65 -9.399 -0.736 -10.062
478 2HB ALA 65 2HB ALA 65 -7.957 -1.471 -10.804
479 3HB ALA 65 3HB ALA 65 -8.367 -1.830 -9.109
480 HA PRO 66 HA PRO 66 -5.813 1.236 -12.962
481 1HB PRO 66 1HB PRO 66 -7.372 3.085 -14.235
482 2HB PRO 66 2HB PRO 66 -7.529 1.359 -14.492
483 1HG PRO 66 1HG PRO 66 -9.283 3.169 -12.948
484 2HG PRO 66 2HG PRO 66 -9.631 1.568 -13.567
485 1HD PRO 66 1HD PRO 66 -9.023 2.263 -10.852
486 2HD PRO 66 2HD PRO 66 -9.258 0.649 -11.493
487 H ARG 67 H ARG 67 -7.047 3.449 -10.661
488 HA ARG 67 HA ARG 67 -5.334 5.533 -11.555
489 1HB ARG 67 1HB ARG 67 -7.643 5.446 -10.036
490 2HB ARG 67 2HB ARG 67 -6.439 5.650 -8.780
491 1HG ARG 67 1HG ARG 67 -5.893 7.787 -9.451
492 2HG ARG 67 2HG ARG 67 -6.055 7.411 -11.155
493 1HD ARG 67 1HD ARG 67 -8.682 7.187 -10.038
494 2HD ARG 67 2HD ARG 67 -7.993 8.655 -9.374
495 HE ARG 67 HE ARG 67 -8.817 8.249 -12.108
496 1HH1 ARG 67 2HH2 ARG 67 -6.353 9.861 -10.183
497 2HH1 ARG 67 1HH2 ARG 67 -6.062 11.099 -11.359
498 1HH2 ARG 67 2HH1 ARG 67 -8.433 9.881 -13.661
499 2HH2 ARG 67 1HH1 ARG 67 -7.253 11.110 -13.351
500 H LEU 68 H LEU 68 -5.323 2.906 -9.143
501 HA LEU 68 HA LEU 68 -3.035 3.940 -7.754
502 1HB LEU 68 1HB LEU 68 -4.901 2.603 -6.735
503 2HB LEU 68 2HB LEU 68 -4.293 1.201 -7.594
504 HG LEU 68 HG LEU 68 -2.055 2.223 -6.249
505 1HD1 LEU 68 1HD1 LEU 68 -2.599 2.989 -4.208
506 2HD1 LEU 68 2HD1 LEU 68 -4.148 3.404 -4.979
507 3HD1 LEU 68 3HD1 LEU 68 -3.993 1.894 -4.049
508 1HD2 LEU 68 1HD2 LEU 68 -2.347 0.163 -4.839
509 2HD2 LEU 68 2HD2 LEU 68 -3.904 -0.098 -5.660
510 3HD2 LEU 68 3HD2 LEU 68 -2.391 -0.108 -6.598
511 H ARG 69 H ARG 69 -3.754 1.594 -10.359
512 HA ARG 69 HA ARG 69 -1.175 0.503 -10.357
513 1HB ARG 69 1HB ARG 69 -3.349 -0.482 -11.367
514 2HB ARG 69 2HB ARG 69 -3.102 0.599 -12.724
515 1HG ARG 69 1HG ARG 69 -0.715 -1.019 -11.933
516 2HG ARG 69 2HG ARG 69 -2.062 -1.939 -12.575
517 1HD ARG 69 1HD ARG 69 -1.956 0.171 -14.369
518 2HD ARG 69 2HD ARG 69 -0.262 -0.007 -13.957
519 HE ARG 69 HE ARG 69 -1.060 -2.616 -14.410
520 1HH1 ARG 69 2HH2 ARG 69 -1.300 0.354 -16.281
521 2HH1 ARG 69 1HH2 ARG 69 -1.246 -0.454 -17.812
522 1HH2 ARG 69 2HH1 ARG 69 -0.988 -3.684 -16.429
523 2HH2 ARG 69 1HH1 ARG 69 -1.067 -2.767 -17.897
524 H ALA 70 H ALA 70 -2.869 3.017 -12.348
525 HA ALA 70 HA ALA 70 -0.812 3.522 -14.132
526 1HB ALA 70 1HB ALA 70 -2.002 5.896 -14.063
527 2HB ALA 70 2HB ALA 70 -2.845 4.472 -14.718
528 3HB ALA 70 3HB ALA 70 -3.187 5.024 -13.061
529 H TRP 71 H TRP 71 -1.336 4.557 -10.756
530 HA TRP 71 HA TRP 71 0.639 6.586 -10.793
531 1HB TRP 71 1HB TRP 71 -1.142 6.620 -9.178
532 2HB TRP 71 2HB TRP 71 -0.677 5.052 -8.548
533 HD1 TRP 71 HD1 TRP 71 0.699 8.691 -8.657
534 HE1 TRP 71 HE1 TRP 71 2.305 9.144 -6.613
535 HE3 TRP 71 HE3 TRP 71 0.663 3.920 -6.897
536 HZ2 TRP 71 HZ2 TRP 71 3.357 7.494 -4.536
537 HZ3 TRP 71 HZ3 TRP 71 2.006 3.426 -4.856
538 HH2 TRP 71 HH2 TRP 71 3.322 5.120 -3.684
539 H LEU 72 H LEU 72 0.530 3.066 -10.027
540 HA LEU 72 HA LEU 72 3.094 2.865 -8.963
541 1HB LEU 72 1HB LEU 72 1.297 0.901 -10.375
542 2HB LEU 72 2HB LEU 72 2.853 0.447 -9.708
543 HG LEU 72 HG LEU 72 0.777 1.784 -7.981
544 1HD1 LEU 72 1HD1 LEU 72 0.523 -0.885 -7.387
545 2HD1 LEU 72 2HD1 LEU 72 -0.616 0.078 -8.358
546 3HD1 LEU 72 3HD1 LEU 72 0.637 -0.897 -9.163
547 1HD2 LEU 72 1HD2 LEU 72 3.048 -0.127 -7.366
548 2HD2 LEU 72 2HD2 LEU 72 3.050 1.633 -7.102
549 3HD2 LEU 72 3HD2 LEU 72 1.934 0.596 -6.180
550 H ASP 73 H ASP 73 1.885 2.534 -12.359
551 HA ASP 73 HA ASP 73 4.410 1.950 -13.387
552 1HB ASP 73 1HB ASP 73 1.749 2.835 -14.484
553 2HB ASP 73 2HB ASP 73 3.139 3.011 -15.537
554 H ALA 74 H ALA 74 2.529 4.947 -12.767
555 HA ALA 74 HA ALA 74 3.814 6.794 -14.276
556 1HB ALA 74 1HB ALA 74 1.864 7.106 -12.698
557 2HB ALA 74 2HB ALA 74 3.035 7.160 -11.358
558 3HB ALA 74 3HB ALA 74 3.081 8.402 -12.632
559 H ALA 75 H ALA 75 5.085 4.904 -11.586
560 HA ALA 75 HA ALA 75 7.073 6.405 -10.571
561 1HB ALA 75 1HB ALA 75 8.275 4.280 -10.225
562 2HB ALA 75 2HB ALA 75 6.531 4.079 -9.928
563 3HB ALA 75 3HB ALA 75 7.248 3.493 -11.448
564 HA PRO 76 HA PRO 76 9.798 7.332 -13.800
565 1HB PRO 76 1HB PRO 76 12.106 7.829 -12.424
566 2HB PRO 76 2HB PRO 76 10.807 8.996 -12.568
567 1HG PRO 76 1HG PRO 76 11.558 7.338 -10.239
568 2HG PRO 76 2HG PRO 76 10.568 8.783 -10.284
569 1HD PRO 76 1HD PRO 76 9.646 6.079 -10.029
570 2HD PRO 76 2HD PRO 76 8.653 7.514 -10.191
571 H HIS 77 H HIS 77 12.094 6.863 -14.732
572 HA HIS 77 HA HIS 77 12.197 3.966 -14.708
573 1HB HIS 77 1HB HIS 77 13.033 6.132 -16.575
574 2HB HIS 77 2HB HIS 77 13.992 4.666 -16.586
575 HD1 HIS 77 HD1 HIS 77 12.124 5.604 -18.972
576 HD2 HIS 77 HD2 HIS 77 11.135 2.742 -16.070
577 HE1 HIS 77 HE1 HIS 77 10.316 4.132 -20.008
578 H ALA 78 H ALA 78 14.604 6.698 -14.654
579 HA ALA 78 HA ALA 78 16.784 5.280 -13.879
580 1HB ALA 78 1HB ALA 78 16.308 7.850 -14.392
581 2HB ALA 78 2HB ALA 78 16.278 7.958 -12.616
582 3HB ALA 78 3HB ALA 78 17.729 7.346 -13.446
Start of MODEL 17
1 1H MET 1 1H MET 1 14.409 -2.996 0.960
2 HA MET 1 HA MET 1 12.281 -4.474 0.974
3 1HB MET 1 1HB MET 1 11.168 -2.732 2.357
4 2HB MET 1 2HB MET 1 12.886 -2.747 2.702
5 1HG MET 1 1HG MET 1 13.252 -0.804 1.227
6 2HG MET 1 2HG MET 1 11.581 -0.839 0.702
7 1HE MET 1 1HE MET 1 12.190 2.202 2.194
8 2HE MET 1 2HE MET 1 13.243 1.751 3.556
9 3HE MET 1 3HE MET 1 13.592 1.141 1.921
10 H ALA 2 H ALA 2 9.844 -3.928 0.654
11 HA ALA 2 HA ALA 2 9.563 -2.811 -2.046
12 1HB ALA 2 1HB ALA 2 8.449 -4.712 -2.479
13 2HB ALA 2 2HB ALA 2 8.697 -5.253 -0.801
14 3HB ALA 2 3HB ALA 2 7.259 -4.293 -1.224
15 H LEU 3 H LEU 3 6.694 -2.555 -1.912
16 HA LEU 3 HA LEU 3 6.505 0.022 -0.887
17 1HB LEU 3 1HB LEU 3 4.444 -2.018 -1.707
18 2HB LEU 3 2HB LEU 3 4.013 -0.404 -1.181
19 HG LEU 3 HG LEU 3 6.043 -0.603 -3.352
20 1HD1 LEU 3 1HD1 LEU 3 3.138 -0.923 -4.075
21 2HD1 LEU 3 2HD1 LEU 3 4.588 -1.175 -5.076
22 3HD1 LEU 3 3HD1 LEU 3 4.182 -2.337 -3.789
23 1HD2 LEU 3 1HD2 LEU 3 3.633 1.167 -3.394
24 2HD2 LEU 3 2HD2 LEU 3 4.924 1.499 -2.215
25 3HD2 LEU 3 3HD2 LEU 3 5.294 1.474 -3.956
26 H THR 4 H THR 4 4.450 0.481 0.711
27 HA THR 4 HA THR 4 4.414 -1.360 2.934
28 HB THR 4 HB THR 4 5.566 1.459 3.261
29 HG1 THR 4 HG1 THR 4 6.769 -1.207 3.453
30 1HG2 THR 4 1HG2 THR 4 4.642 -0.627 5.123
31 2HG2 THR 4 2HG2 THR 4 6.374 -0.277 5.339
32 3HG2 THR 4 3HG2 THR 4 5.177 1.033 5.478
33 H LEU 5 H LEU 5 2.258 -1.578 3.076
34 HA LEU 5 HA LEU 5 0.677 0.881 2.909
35 1HB LEU 5 1HB LEU 5 -0.152 -0.569 1.332
36 2HB LEU 5 2HB LEU 5 0.158 -1.995 2.303
37 HG LEU 5 HG LEU 5 -1.707 -0.988 3.867
38 1HD1 LEU 5 1HD1 LEU 5 -3.018 0.014 1.430
39 2HD1 LEU 5 2HD1 LEU 5 -3.045 0.638 3.097
40 3HD1 LEU 5 3HD1 LEU 5 -1.679 1.026 2.023
41 1HD2 LEU 5 1HD2 LEU 5 -2.695 -2.846 3.175
42 2HD2 LEU 5 2HD2 LEU 5 -3.221 -2.020 1.688
43 3HD2 LEU 5 3HD2 LEU 5 -1.659 -2.873 1.728
44 H TYR 6 H TYR 6 0.493 1.825 4.882
45 HA TYR 6 HA TYR 6 0.734 0.422 7.294
46 1HB TYR 6 1HB TYR 6 -0.573 3.076 6.432
47 2HB TYR 6 2HB TYR 6 -0.305 2.663 8.114
48 HD1 TYR 6 HD1 TYR 6 2.032 2.466 8.996
49 HD2 TYR 6 HD2 TYR 6 1.213 3.886 5.044
50 HE1 TYR 6 HE1 TYR 6 4.368 3.460 8.862
51 HE2 TYR 6 HE2 TYR 6 3.552 4.875 4.923
52 HH TYR 6 HH TYR 6 5.308 5.636 7.249
53 H GLN 7 H GLN 7 -0.763 -0.415 8.750
54 HA GLN 7 HA GLN 7 -3.507 0.070 8.469
55 1HB GLN 7 1HB GLN 7 -4.142 -2.346 7.926
56 2HB GLN 7 2HB GLN 7 -3.516 -1.404 6.587
57 1HG GLN 7 1HG GLN 7 -1.445 -2.530 6.574
58 2HG GLN 7 2HG GLN 7 -1.570 -3.004 8.257
59 1HE2 GLN 7 1HE2 GLN 7 -3.231 -4.569 8.842
60 2HE2 GLN 7 2HE2 GLN 7 -3.648 -5.836 7.736
61 H ARG 8 H ARG 8 -4.762 -1.018 10.198
62 HA ARG 8 HA ARG 8 -3.065 -2.377 12.113
63 1HB ARG 8 1HB ARG 8 -4.068 -1.037 13.973
64 2HB ARG 8 2HB ARG 8 -3.173 -0.022 12.858
65 1HG ARG 8 1HG ARG 8 -5.475 0.319 11.644
66 2HG ARG 8 2HG ARG 8 -6.187 -0.325 13.110
67 1HD ARG 8 1HD ARG 8 -4.914 1.448 14.429
68 2HD ARG 8 2HD ARG 8 -4.390 2.138 12.905
69 HE ARG 8 HE ARG 8 -6.517 3.066 12.628
70 1HH1 ARG 8 2HH2 ARG 8 -6.711 0.456 14.980
71 2HH1 ARG 8 1HH2 ARG 8 -8.363 0.775 15.389
72 1HH2 ARG 8 2HH1 ARG 8 -8.697 3.488 13.167
73 2HH2 ARG 8 1HH1 ARG 8 -9.501 2.512 14.350
74 H ASP 9 H ASP 9 -4.032 -4.351 12.463
75 HA ASP 9 HA ASP 9 -5.575 -5.774 13.094
76 1HB ASP 9 1HB ASP 9 -6.787 -3.478 13.945
77 2HB ASP 9 2HB ASP 9 -7.931 -3.955 12.706
78 H ASP 10 H ASP 10 -8.310 -6.059 12.069
79 HA ASP 10 HA ASP 10 -7.805 -5.971 9.200
80 1HB ASP 10 1HB ASP 10 -9.637 -8.105 9.904
81 2HB ASP 10 2HB ASP 10 -8.115 -8.213 9.044
82 H CYS 11 H CYS 11 -9.330 -4.550 8.341
83 HA CYS 11 HA CYS 11 -12.048 -4.755 9.391
84 1HB CYS 11 1HB CYS 11 -12.332 -2.357 9.396
85 2HB CYS 11 2HB CYS 11 -10.969 -2.771 10.417
86 HG CYS 11 HG CYS 11 -10.035 -0.763 9.314
87 H HIS 12 H HIS 12 -12.564 -2.345 7.468
88 HA HIS 12 HA HIS 12 -12.506 -3.965 5.029
89 1HB HIS 12 1HB HIS 12 -14.613 -2.528 6.372
90 2HB HIS 12 2HB HIS 12 -14.367 -1.839 4.779
91 HD1 HIS 12 HD1 HIS 12 -14.173 -5.522 5.839
92 HD2 HIS 12 HD2 HIS 12 -16.340 -3.000 3.282
93 HE1 HIS 12 HE1 HIS 12 -15.731 -7.033 4.497
94 H LEU 13 H LEU 13 -12.167 -0.627 6.381
95 HA LEU 13 HA LEU 13 -11.540 0.752 4.142
96 1HB LEU 13 1HB LEU 13 -11.680 1.399 6.666
97 2HB LEU 13 2HB LEU 13 -9.946 1.143 6.650
98 HG LEU 13 HG LEU 13 -9.829 2.798 4.722
99 1HD1 LEU 13 1HD1 LEU 13 -12.330 2.581 4.249
100 2HD1 LEU 13 2HD1 LEU 13 -12.570 3.674 5.633
101 3HD1 LEU 13 3HD1 LEU 13 -11.631 4.217 4.221
102 1HD2 LEU 13 1HD2 LEU 13 -9.343 4.439 6.190
103 2HD2 LEU 13 2HD2 LEU 13 -10.911 4.316 7.023
104 3HD2 LEU 13 3HD2 LEU 13 -9.614 3.153 7.390
105 H CYS 14 H CYS 14 -9.477 -1.555 5.956
106 HA CYS 14 HA CYS 14 -7.179 -0.958 4.391
107 1HB CYS 14 1HB CYS 14 -6.749 -1.751 6.578
108 2HB CYS 14 2HB CYS 14 -7.847 -3.107 6.408
109 HG CYS 14 HG CYS 14 -4.798 -2.627 5.464
110 H ASP 15 H ASP 15 -9.739 -3.515 4.512
111 HA ASP 15 HA ASP 15 -8.758 -5.239 2.692
112 1HB ASP 15 1HB ASP 15 -11.616 -4.282 3.152
113 2HB ASP 15 2HB ASP 15 -11.247 -5.627 2.091
114 H GLN 16 H GLN 16 -10.877 -2.330 2.114
115 HA GLN 16 HA GLN 16 -11.028 -2.574 -0.613
116 1HB GLN 16 1HB GLN 16 -11.407 -0.380 1.382
117 2HB GLN 16 2HB GLN 16 -11.182 0.134 -0.278
118 1HG GLN 16 1HG GLN 16 -12.970 -1.929 -0.638
119 2HG GLN 16 2HG GLN 16 -13.450 -1.369 0.952
120 1HE2 GLN 16 1HE2 GLN 16 -15.076 -0.036 0.857
121 2HE2 GLN 16 2HE2 GLN 16 -15.346 1.220 -0.305
122 H ALA 17 H ALA 17 -8.439 -1.325 1.476
123 HA ALA 17 HA ALA 17 -7.054 0.046 -0.590
124 1HB ALA 17 1HB ALA 17 -5.882 -1.061 1.980
125 2HB ALA 17 2HB ALA 17 -5.387 0.386 1.069
126 3HB ALA 17 3HB ALA 17 -6.928 0.379 1.959
127 H VAL 18 H VAL 18 -6.662 -3.173 1.043
128 HA VAL 18 HA VAL 18 -4.482 -3.966 -0.522
129 HB VAL 18 HB VAL 18 -6.584 -5.579 0.938
130 1HG1 VAL 18 1HG1 VAL 18 -3.785 -6.491 0.244
131 2HG1 VAL 18 2HG1 VAL 18 -5.162 -7.459 0.823
132 3HG1 VAL 18 3HG1 VAL 18 -5.175 -6.792 -0.827
133 1HG2 VAL 18 1HG2 VAL 18 -5.455 -4.025 2.426
134 2HG2 VAL 18 2HG2 VAL 18 -4.884 -5.681 2.745
135 3HG2 VAL 18 3HG2 VAL 18 -3.866 -4.551 1.820
136 H GLU 19 H GLU 19 -8.029 -4.125 -0.984
137 HA GLU 19 HA GLU 19 -8.020 -5.927 -3.071
138 1HB GLU 19 1HB GLU 19 -9.920 -4.432 -1.677
139 2HB GLU 19 2HB GLU 19 -10.044 -3.788 -3.302
140 1HG GLU 19 1HG GLU 19 -9.836 -6.746 -3.230
141 2HG GLU 19 2HG GLU 19 -11.249 -6.133 -2.395
142 H ALA 20 H ALA 20 -7.887 -2.299 -3.093
143 HA ALA 20 HA ALA 20 -7.835 -1.998 -5.852
144 1HB ALA 20 1HB ALA 20 -6.689 -0.335 -3.578
145 2HB ALA 20 2HB ALA 20 -6.763 0.219 -5.268
146 3HB ALA 20 3HB ALA 20 -8.265 -0.136 -4.381
147 H LEU 21 H LEU 21 -5.234 -2.666 -3.460
148 HA LEU 21 HA LEU 21 -3.097 -2.280 -5.224
149 1HB LEU 21 1HB LEU 21 -3.559 -3.400 -2.553
150 2HB LEU 21 2HB LEU 21 -2.230 -4.153 -3.412
151 HG LEU 21 HG LEU 21 -2.457 -1.154 -3.113
152 1HD1 LEU 21 1HD1 LEU 21 -1.828 -3.136 -1.071
153 2HD1 LEU 21 2HD1 LEU 21 -0.498 -1.983 -1.333
154 3HD1 LEU 21 3HD1 LEU 21 -2.124 -1.387 -0.923
155 1HD2 LEU 21 1HD2 LEU 21 -0.885 -2.511 -4.793
156 2HD2 LEU 21 2HD2 LEU 21 -0.369 -1.008 -3.990
157 3HD2 LEU 21 3HD2 LEU 21 0.142 -2.585 -3.341
158 H ALA 22 H ALA 22 -4.696 -5.359 -4.127
159 HA ALA 22 HA ALA 22 -3.318 -7.026 -5.843
160 1HB ALA 22 1HB ALA 22 -5.115 -7.352 -3.858
161 2HB ALA 22 2HB ALA 22 -6.189 -7.613 -5.253
162 3HB ALA 22 3HB ALA 22 -4.746 -8.632 -5.038
163 H GLN 23 H GLN 23 -6.352 -5.131 -6.335
164 HA GLN 23 HA GLN 23 -6.996 -6.198 -8.785
165 1HB GLN 23 1HB GLN 23 -7.562 -3.577 -7.397
166 2HB GLN 23 2HB GLN 23 -8.042 -3.762 -9.072
167 1HG GLN 23 1HG GLN 23 -8.861 -6.169 -7.807
168 2HG GLN 23 2HG GLN 23 -9.262 -4.901 -6.667
169 1HE2 GLN 23 1HE2 GLN 23 -10.795 -3.389 -7.136
170 2HE2 GLN 23 2HE2 GLN 23 -11.861 -3.471 -8.498
171 H ALA 24 H ALA 24 -4.771 -3.517 -7.883
172 HA ALA 24 HA ALA 24 -4.252 -2.843 -10.621
173 1HB ALA 24 1HB ALA 24 -2.252 -1.840 -8.833
174 2HB ALA 24 2HB ALA 24 -3.593 -0.956 -9.600
175 3HB ALA 24 3HB ALA 24 -3.828 -1.726 -8.012
176 H ARG 25 H ARG 25 -3.356 -5.392 -8.539
177 HA ARG 25 HA ARG 25 -1.864 -6.951 -8.626
178 1HB ARG 25 1HB ARG 25 -1.955 -6.017 -11.474
179 2HB ARG 25 2HB ARG 25 -0.571 -7.006 -11.054
180 1HG ARG 25 1HG ARG 25 -2.934 -8.204 -9.883
181 2HG ARG 25 2HG ARG 25 -3.269 -7.859 -11.568
182 1HD ARG 25 1HD ARG 25 -0.799 -8.920 -11.886
183 2HD ARG 25 2HD ARG 25 -1.213 -9.714 -10.380
184 HE ARG 25 HE ARG 25 -3.475 -10.103 -11.925
185 1HH1 ARG 25 2HH2 ARG 25 -0.050 -10.731 -12.430
186 2HH1 ARG 25 1HH2 ARG 25 -0.321 -12.084 -13.477
187 1HH2 ARG 25 2HH1 ARG 25 -3.834 -11.889 -13.306
188 2HH2 ARG 25 1HH1 ARG 25 -2.488 -12.747 -13.978
189 H ALA 26 H ALA 26 -1.014 -4.493 -7.475
190 HA ALA 26 HA ALA 26 1.326 -3.413 -8.427
191 1HB ALA 26 1HB ALA 26 1.708 -2.802 -6.024
192 2HB ALA 26 2HB ALA 26 0.057 -2.450 -6.589
193 3HB ALA 26 3HB ALA 26 0.366 -3.881 -5.576
194 H GLY 27 H GLY 27 0.756 -6.410 -6.521
195 1HA GLY 27 1HA GLY 27 2.304 -8.228 -7.098
196 2HA GLY 27 2HA GLY 27 3.613 -7.077 -6.919
197 H ALA 28 H ALA 28 4.734 -7.868 -5.149
198 HA ALA 28 HA ALA 28 3.181 -8.568 -2.779
199 1HB ALA 28 1HB ALA 28 5.662 -9.443 -4.027
200 2HB ALA 28 2HB ALA 28 5.930 -8.989 -2.327
201 3HB ALA 28 3HB ALA 28 4.710 -10.218 -2.738
202 H PHE 29 H PHE 29 3.842 -7.697 -0.657
203 HA PHE 29 HA PHE 29 5.525 -5.377 -0.660
204 1HB PHE 29 1HB PHE 29 3.569 -3.970 0.258
205 2HB PHE 29 2HB PHE 29 3.428 -4.366 -1.443
206 HD1 PHE 29 HD1 PHE 29 2.309 -5.468 1.925
207 HD2 PHE 29 HD2 PHE 29 1.527 -5.463 -2.246
208 HE1 PHE 29 HE1 PHE 29 0.053 -6.483 2.347
209 HE2 PHE 29 HE2 PHE 29 -0.729 -6.478 -1.824
210 HZ PHE 29 HZ PHE 29 -1.440 -6.976 0.467
211 H PHE 30 H PHE 30 5.066 -4.240 1.720
212 HA PHE 30 HA PHE 30 5.027 -6.513 3.581
213 1HB PHE 30 1HB PHE 30 6.602 -3.882 3.428
214 2HB PHE 30 2HB PHE 30 6.544 -4.817 4.909
215 HD1 PHE 30 HD1 PHE 30 8.297 -6.253 5.299
216 HD2 PHE 30 HD2 PHE 30 7.251 -5.380 1.280
217 HE1 PHE 30 HE1 PHE 30 10.224 -7.646 4.495
218 HE2 PHE 30 HE2 PHE 30 9.178 -6.774 0.476
219 HZ PHE 30 HZ PHE 30 10.641 -7.890 2.093
220 H SER 31 H SER 31 3.981 -6.230 5.610
221 HA SER 31 HA SER 31 2.074 -4.054 5.544
222 1HB SER 31 1HB SER 31 2.050 -6.827 6.457
223 2HB SER 31 2HB SER 31 1.532 -5.762 7.749
224 HG SER 31 HG SER 31 0.030 -6.622 5.767
225 H VAL 32 H VAL 32 1.862 -2.547 7.281
226 HA VAL 32 HA VAL 32 3.802 -2.803 9.449
227 HB VAL 32 HB VAL 32 3.466 -0.378 7.672
228 1HG1 VAL 32 1HG1 VAL 32 5.604 -0.469 9.732
229 2HG1 VAL 32 2HG1 VAL 32 4.615 0.895 9.159
230 3HG1 VAL 32 3HG1 VAL 32 3.941 -0.262 10.332
231 1HG2 VAL 32 1HG2 VAL 32 5.757 -2.330 8.047
232 2HG2 VAL 32 2HG2 VAL 32 4.835 -2.002 6.561
233 3HG2 VAL 32 3HG2 VAL 32 5.917 -0.757 7.230
234 H PHE 33 H PHE 33 3.042 -2.039 11.424
235 HA PHE 33 HA PHE 33 0.255 -1.144 11.352
236 1HB PHE 33 1HB PHE 33 1.947 -2.214 13.681
237 2HB PHE 33 2HB PHE 33 0.199 -2.110 13.630
238 HD1 PHE 33 HD1 PHE 33 3.121 -3.912 12.277
239 HD2 PHE 33 HD2 PHE 33 -1.107 -3.838 12.641
240 HE1 PHE 33 HE1 PHE 33 3.006 -6.270 11.426
241 HE2 PHE 33 HE2 PHE 33 -1.221 -6.196 11.789
242 HZ PHE 33 HZ PHE 33 0.836 -7.384 11.191
243 H ILE 34 H ILE 34 -0.285 0.881 12.052
244 HA ILE 34 HA ILE 34 1.875 2.595 12.888
245 HB ILE 34 HB ILE 34 0.355 4.377 12.557
246 1HG1 ILE 34 1HG1 ILE 34 -2.035 2.816 11.854
247 2HG1 ILE 34 2HG1 ILE 34 -1.593 2.692 13.545
248 1HG2 ILE 34 1HG2 ILE 34 0.106 2.206 10.471
249 2HG2 ILE 34 2HG2 ILE 34 -0.528 3.852 10.235
250 3HG2 ILE 34 3HG2 ILE 34 1.213 3.599 10.501
251 1HD1 ILE 34 1HD1 ILE 34 -1.329 5.454 12.602
252 2HD1 ILE 34 2HD1 ILE 34 -2.971 4.823 12.327
253 3HD1 ILE 34 3HD1 ILE 34 -2.277 4.813 13.966
254 H ASP 35 H ASP 35 0.063 0.316 14.453
255 HA ASP 35 HA ASP 35 -0.613 1.901 16.732
256 1HB ASP 35 1HB ASP 35 -2.005 -0.038 16.052
257 2HB ASP 35 2HB ASP 35 -0.635 -1.114 16.242
258 H ASP 36 H ASP 36 2.086 2.274 16.301
259 HA ASP 36 HA ASP 36 3.199 1.199 18.648
260 1HB ASP 36 1HB ASP 36 3.486 -0.504 16.515
261 2HB ASP 36 2HB ASP 36 4.904 0.500 16.286
262 H ASP 37 H ASP 37 2.599 3.787 17.330
263 HA ASP 37 HA ASP 37 4.938 5.121 17.877
264 1HB ASP 37 1HB ASP 37 5.058 3.949 15.328
265 2HB ASP 37 2HB ASP 37 4.543 5.589 14.984
266 H ALA 38 H ALA 38 3.488 6.591 18.911
267 HA ALA 38 HA ALA 38 1.060 7.437 17.997
268 1HB ALA 38 1HB ALA 38 1.151 8.862 19.787
269 2HB ALA 38 2HB ALA 38 2.582 7.884 20.192
270 3HB ALA 38 3HB ALA 38 2.778 9.452 19.372
271 H ALA 39 H ALA 39 4.329 8.432 16.995
272 HA ALA 39 HA ALA 39 3.664 10.817 15.730
273 1HB ALA 39 1HB ALA 39 5.952 10.355 16.095
274 2HB ALA 39 2HB ALA 39 5.834 8.737 15.363
275 3HB ALA 39 3HB ALA 39 5.756 10.187 14.334
276 H LEU 40 H LEU 40 3.528 7.388 14.637
277 HA LEU 40 HA LEU 40 2.773 8.120 11.983
278 1HB LEU 40 1HB LEU 40 2.675 5.473 13.437
279 2HB LEU 40 2HB LEU 40 2.397 5.698 11.722
280 HG LEU 40 HG LEU 40 4.993 6.426 13.101
281 1HD1 LEU 40 1HD1 LEU 40 4.879 4.026 11.366
282 2HD1 LEU 40 2HD1 LEU 40 5.821 4.342 12.843
283 3HD1 LEU 40 3HD1 LEU 40 4.105 3.885 12.963
284 1HD2 LEU 40 1HD2 LEU 40 4.004 6.513 10.292
285 2HD2 LEU 40 2HD2 LEU 40 5.121 7.597 11.157
286 3HD2 LEU 40 3HD2 LEU 40 5.693 6.020 10.562
287 H GLU 41 H GLU 41 1.141 7.408 15.061
288 HA GLU 41 HA GLU 41 -1.375 6.956 13.926
289 1HB GLU 41 1HB GLU 41 -0.398 7.689 16.700
290 2HB GLU 41 2HB GLU 41 -2.115 7.604 16.361
291 1HG GLU 41 1HG GLU 41 -0.683 5.268 15.285
292 2HG GLU 41 2HG GLU 41 -0.425 5.442 17.010
293 H SER 42 H SER 42 0.271 9.877 15.276
294 HA SER 42 HA SER 42 -1.993 11.508 14.899
295 1HB SER 42 1HB SER 42 0.506 11.714 16.188
296 2HB SER 42 2HB SER 42 0.572 12.936 14.934
297 HG SER 42 HG SER 42 -1.834 12.790 16.443
298 H ALA 43 H ALA 43 0.746 10.451 12.918
299 HA ALA 43 HA ALA 43 0.515 12.540 10.993
300 1HB ALA 43 1HB ALA 43 2.146 11.227 9.760
301 2HB ALA 43 2HB ALA 43 2.595 11.222 11.483
302 3HB ALA 43 3HB ALA 43 1.810 9.795 10.763
303 H TYR 44 H TYR 44 -0.811 9.240 11.455
304 HA TYR 44 HA TYR 44 -2.361 9.631 8.985
305 1HB TYR 44 1HB TYR 44 -1.400 7.211 10.626
306 2HB TYR 44 2HB TYR 44 -2.566 7.037 9.330
307 HD1 TYR 44 HD1 TYR 44 -1.370 9.016 7.362
308 HD2 TYR 44 HD2 TYR 44 0.427 5.974 9.775
309 HE1 TYR 44 HE1 TYR 44 0.532 8.801 5.688
310 HE2 TYR 44 HE2 TYR 44 2.322 5.769 8.093
311 HH TYR 44 HH TYR 44 3.315 6.767 6.373
312 H GLY 45 H GLY 45 -2.719 7.615 11.983
313 1HA GLY 45 1HA GLY 45 -4.426 7.404 13.430
314 2HA GLY 45 2HA GLY 45 -4.900 9.044 13.034
315 H LEU 46 H LEU 46 -6.116 9.353 10.886
316 HA LEU 46 HA LEU 46 -8.071 7.204 10.700
317 1HB LEU 46 1HB LEU 46 -8.042 10.127 10.252
318 2HB LEU 46 2HB LEU 46 -9.041 9.198 9.152
319 HG LEU 46 HG LEU 46 -10.267 10.085 11.114
320 1HD1 LEU 46 1HD1 LEU 46 -11.347 7.886 11.761
321 2HD1 LEU 46 2HD1 LEU 46 -11.269 8.245 10.019
322 3HD1 LEU 46 3HD1 LEU 46 -10.124 7.090 10.741
323 1HD2 LEU 46 1HD2 LEU 46 -8.061 9.301 12.573
324 2HD2 LEU 46 2HD2 LEU 46 -9.631 9.816 13.236
325 3HD2 LEU 46 3HD2 LEU 46 -9.286 8.084 13.009
326 H ARG 47 H ARG 47 -5.376 8.672 8.991
327 HA ARG 47 HA ARG 47 -6.213 7.456 6.523
328 1HB ARG 47 1HB ARG 47 -3.762 9.135 7.255
329 2HB ARG 47 2HB ARG 47 -4.072 8.526 5.642
330 1HG ARG 47 1HG ARG 47 -5.483 10.247 5.213
331 2HG ARG 47 2HG ARG 47 -6.478 9.822 6.592
332 1HD ARG 47 1HD ARG 47 -5.613 11.507 7.872
333 2HD ARG 47 2HD ARG 47 -3.964 11.110 7.431
334 HE ARG 47 HE ARG 47 -4.034 12.786 5.806
335 1HH1 ARG 47 2HH2 ARG 47 -7.330 11.887 6.647
336 2HH1 ARG 47 1HH2 ARG 47 -8.051 13.135 5.687
337 1HH2 ARG 47 2HH1 ARG 47 -4.985 14.432 4.539
338 2HH2 ARG 47 1HH1 ARG 47 -6.708 14.592 4.479
339 H VAL 48 H VAL 48 -5.749 5.596 8.638
340 HA VAL 48 HA VAL 48 -3.167 4.618 8.816
341 HB VAL 48 HB VAL 48 -5.668 2.937 8.869
342 1HG1 VAL 48 1HG1 VAL 48 -2.939 2.446 9.475
343 2HG1 VAL 48 2HG1 VAL 48 -3.819 2.482 11.022
344 3HG1 VAL 48 3HG1 VAL 48 -4.336 1.372 9.730
345 1HG2 VAL 48 1HG2 VAL 48 -6.541 4.260 10.440
346 2HG2 VAL 48 2HG2 VAL 48 -5.154 3.856 11.480
347 3HG2 VAL 48 3HG2 VAL 48 -5.096 5.300 10.441
348 HA PRO 49 HA PRO 49 -4.286 2.057 4.987
349 1HB PRO 49 1HB PRO 49 -6.402 2.825 3.437
350 2HB PRO 49 2HB PRO 49 -6.512 1.570 4.655
351 1HG PRO 49 1HG PRO 49 -7.525 4.345 4.757
352 2HG PRO 49 2HG PRO 49 -7.979 2.973 5.749
353 1HD PRO 49 1HD PRO 49 -6.271 5.149 6.508
354 2HD PRO 49 2HD PRO 49 -6.632 3.721 7.456
355 H VAL 50 H VAL 50 -2.357 3.682 5.053
356 HA VAL 50 HA VAL 50 -2.616 5.283 2.603
357 HB VAL 50 HB VAL 50 -1.150 5.661 5.184
358 1HG1 VAL 50 1HG1 VAL 50 0.672 5.817 3.647
359 2HG1 VAL 50 2HG1 VAL 50 -0.296 6.767 2.494
360 3HG1 VAL 50 3HG1 VAL 50 0.187 7.482 4.050
361 1HG2 VAL 50 1HG2 VAL 50 -3.419 6.714 4.514
362 2HG2 VAL 50 2HG2 VAL 50 -2.167 7.768 5.214
363 3HG2 VAL 50 3HG2 VAL 50 -2.448 7.767 3.457
364 H LEU 51 H LEU 51 -1.153 4.967 0.929
365 HA LEU 51 HA LEU 51 0.637 2.676 1.319
366 1HB LEU 51 1HB LEU 51 -1.317 3.283 -0.649
367 2HB LEU 51 2HB LEU 51 0.249 3.357 -1.431
368 HG LEU 51 HG LEU 51 -0.904 1.006 0.091
369 1HD1 LEU 51 1HD1 LEU 51 -0.124 0.392 -2.586
370 2HD1 LEU 51 2HD1 LEU 51 -1.743 0.344 -1.849
371 3HD1 LEU 51 3HD1 LEU 51 -1.157 1.840 -2.614
372 1HD2 LEU 51 1HD2 LEU 51 1.338 0.786 0.589
373 2HD2 LEU 51 2HD2 LEU 51 1.211 -0.129 -0.933
374 3HD2 LEU 51 3HD2 LEU 51 1.865 1.527 -0.942
375 H ARG 52 H ARG 52 2.817 2.940 1.122
376 HA ARG 52 HA ARG 52 3.665 5.496 0.024
377 1HB ARG 52 1HB ARG 52 5.430 5.630 1.755
378 2HB ARG 52 2HB ARG 52 3.855 5.526 2.515
379 1HG ARG 52 1HG ARG 52 4.171 3.270 3.179
380 2HG ARG 52 2HG ARG 52 5.412 2.983 1.976
381 1HD ARG 52 1HD ARG 52 6.189 5.149 3.809
382 2HD ARG 52 2HD ARG 52 5.822 3.676 4.686
383 HE ARG 52 HE ARG 52 7.459 3.064 2.390
384 1HH1 ARG 52 2HH2 ARG 52 7.636 4.488 5.603
385 2HH1 ARG 52 1HH2 ARG 52 9.309 4.099 5.823
386 1HH2 ARG 52 2HH1 ARG 52 9.667 2.550 2.680
387 2HH2 ARG 52 1HH1 ARG 52 10.472 2.989 4.149
388 H ASP 53 H ASP 53 5.905 5.455 -0.900
389 HA ASP 53 HA ASP 53 6.654 2.727 -1.609
390 1HB ASP 53 1HB ASP 53 7.785 4.268 -3.583
391 2HB ASP 53 2HB ASP 53 6.234 3.466 -3.730
392 HA PRO 54 HA PRO 54 10.683 3.826 -0.262
393 1HB PRO 54 1HB PRO 54 12.369 2.575 -2.011
394 2HB PRO 54 2HB PRO 54 11.550 1.740 -0.706
395 1HG PRO 54 1HG PRO 54 10.952 1.691 -3.600
396 2HG PRO 54 2HG PRO 54 10.444 0.568 -2.355
397 1HD PRO 54 1HD PRO 54 8.848 2.615 -3.575
398 2HD PRO 54 2HD PRO 54 8.377 1.569 -2.250
399 H MET 55 H MET 55 9.788 4.752 -3.416
400 HA MET 55 HA MET 55 12.059 6.193 -4.066
401 1HB MET 55 1HB MET 55 9.097 6.510 -4.783
402 2HB MET 55 2HB MET 55 10.341 7.489 -5.535
403 1HG MET 55 1HG MET 55 10.369 5.773 -7.075
404 2HG MET 55 2HG MET 55 11.456 5.032 -5.918
405 1HE MET 55 1HE MET 55 10.390 2.063 -6.468
406 2HE MET 55 2HE MET 55 9.088 2.498 -7.601
407 3HE MET 55 3HE MET 55 10.637 3.375 -7.645
408 H GLY 56 H GLY 56 9.251 6.953 -1.999
409 1HA GLY 56 1HA GLY 56 9.714 8.538 -0.212
410 2HA GLY 56 2HA GLY 56 10.503 9.565 -1.392
411 H ARG 57 H ARG 57 7.476 7.695 -1.941
412 HA ARG 57 HA ARG 57 6.010 10.184 -1.777
413 1HB ARG 57 1HB ARG 57 5.784 8.259 -4.145
414 2HB ARG 57 2HB ARG 57 4.890 9.753 -3.946
415 1HG ARG 57 1HG ARG 57 7.627 10.469 -3.638
416 2HG ARG 57 2HG ARG 57 7.591 9.351 -4.987
417 1HD ARG 57 1HD ARG 57 7.255 11.639 -5.821
418 2HD ARG 57 2HD ARG 57 5.789 10.713 -6.070
419 HE ARG 57 HE ARG 57 4.678 12.106 -4.552
420 1HH1 ARG 57 2HH2 ARG 57 8.151 12.473 -4.121
421 2HH1 ARG 57 1HH2 ARG 57 8.002 13.793 -3.010
422 1HH2 ARG 57 2HH1 ARG 57 4.481 13.848 -3.086
423 2HH2 ARG 57 1HH1 ARG 57 5.901 14.581 -2.417
424 H GLU 58 H GLU 58 3.511 9.670 -1.991
425 HA GLU 58 HA GLU 58 2.947 6.974 -1.104
426 1HB GLU 58 1HB GLU 58 1.399 8.006 0.694
427 2HB GLU 58 2HB GLU 58 3.119 7.990 1.026
428 1HG GLU 58 1HG GLU 58 2.972 10.229 1.372
429 2HG GLU 58 2HG GLU 58 2.763 10.404 -0.359
430 H LEU 59 H LEU 59 0.383 6.744 -0.906
431 HA LEU 59 HA LEU 59 -0.807 8.345 -3.062
432 1HB LEU 59 1HB LEU 59 -0.107 5.732 -3.317
433 2HB LEU 59 2HB LEU 59 -1.748 5.569 -2.725
434 HG LEU 59 HG LEU 59 -0.803 6.918 -5.255
435 1HD1 LEU 59 1HD1 LEU 59 -3.062 5.016 -5.269
436 2HD1 LEU 59 2HD1 LEU 59 -1.670 5.167 -6.368
437 3HD1 LEU 59 3HD1 LEU 59 -1.485 4.330 -4.809
438 1HD2 LEU 59 1HD2 LEU 59 -3.384 7.294 -3.770
439 2HD2 LEU 59 2HD2 LEU 59 -2.373 8.486 -4.622
440 3HD2 LEU 59 3HD2 LEU 59 -3.364 7.334 -5.549
441 H ASP 60 H ASP 60 -2.995 8.937 -2.789
442 HA ASP 60 HA ASP 60 -3.748 9.310 -0.155
443 1HB ASP 60 1HB ASP 60 -4.616 10.120 -2.731
444 2HB ASP 60 2HB ASP 60 -6.009 9.323 -2.028
445 H TRP 61 H TRP 61 -5.119 8.083 1.217
446 HA TRP 61 HA TRP 61 -5.397 5.419 0.961
447 1HB TRP 61 1HB TRP 61 -6.021 5.953 3.029
448 2HB TRP 61 2HB TRP 61 -6.642 7.522 2.554
449 HD1 TRP 61 HD1 TRP 61 -9.105 7.580 3.430
450 HE1 TRP 61 HE1 TRP 61 -11.263 6.061 3.361
451 HE3 TRP 61 HE3 TRP 61 -6.879 3.611 1.161
452 HZ2 TRP 61 HZ2 TRP 61 -11.784 3.430 2.387
453 HZ3 TRP 61 HZ3 TRP 61 -8.283 1.607 0.687
454 HH2 TRP 61 HH2 TRP 61 -10.655 1.476 1.261
455 HA PRO 62 HA PRO 62 -9.495 6.094 -1.332
456 1HB PRO 62 1HB PRO 62 -10.225 8.602 -2.138
457 2HB PRO 62 2HB PRO 62 -10.793 7.870 -0.650
458 1HG PRO 62 1HG PRO 62 -8.760 9.985 -1.017
459 2HG PRO 62 2HG PRO 62 -9.638 9.546 0.435
460 1HD PRO 62 1HD PRO 62 -6.915 8.895 -0.187
461 2HD PRO 62 2HD PRO 62 -7.828 8.359 1.209
462 H PHE 63 H PHE 63 -8.710 4.885 -2.980
463 HA PHE 63 HA PHE 63 -7.989 6.488 -5.295
464 1HB PHE 63 1HB PHE 63 -6.128 4.536 -5.519
465 2HB PHE 63 2HB PHE 63 -5.781 5.989 -4.603
466 HD1 PHE 63 HD1 PHE 63 -7.939 3.144 -3.577
467 HD2 PHE 63 HD2 PHE 63 -4.280 5.211 -2.986
468 HE1 PHE 63 HE1 PHE 63 -7.481 1.750 -1.541
469 HE2 PHE 63 HE2 PHE 63 -3.822 3.817 -0.949
470 HZ PHE 63 HZ PHE 63 -5.428 2.104 -0.251
471 H ASP 64 H ASP 64 -7.420 4.632 -7.157
472 HA ASP 64 HA ASP 64 -9.621 2.734 -6.926
473 1HB ASP 64 1HB ASP 64 -8.646 4.005 -9.519
474 2HB ASP 64 2HB ASP 64 -10.095 3.045 -9.293
475 H ALA 65 H ALA 65 -9.161 1.222 -9.241
476 HA ALA 65 HA ALA 65 -6.764 -0.172 -8.533
477 1HB ALA 65 1HB ALA 65 -7.755 -1.284 -10.881
478 2HB ALA 65 2HB ALA 65 -8.195 -1.776 -9.228
479 3HB ALA 65 3HB ALA 65 -9.208 -0.607 -10.107
480 HA PRO 66 HA PRO 66 -5.522 1.536 -12.770
481 1HB PRO 66 1HB PRO 66 -7.041 3.466 -13.968
482 2HB PRO 66 2HB PRO 66 -7.188 1.761 -14.344
483 1HG PRO 66 1HG PRO 66 -8.993 3.467 -12.740
484 2HG PRO 66 2HG PRO 66 -9.319 1.910 -13.475
485 1HD PRO 66 1HD PRO 66 -8.800 2.423 -10.701
486 2HD PRO 66 2HD PRO 66 -9.011 0.856 -11.455
487 H ARG 67 H ARG 67 -6.903 3.668 -10.445
488 HA ARG 67 HA ARG 67 -5.153 5.782 -11.122
489 1HB ARG 67 1HB ARG 67 -7.498 5.600 -9.689
490 2HB ARG 67 2HB ARG 67 -6.344 5.682 -8.374
491 1HG ARG 67 1HG ARG 67 -5.668 7.847 -8.901
492 2HG ARG 67 2HG ARG 67 -5.953 7.639 -10.618
493 1HD ARG 67 1HD ARG 67 -8.490 7.386 -9.238
494 2HD ARG 67 2HD ARG 67 -7.695 8.840 -8.667
495 HE ARG 67 HE ARG 67 -7.545 8.595 -11.566
496 1HH1 ARG 67 2HH2 ARG 67 -9.627 9.595 -8.911
497 2HH1 ARG 67 1HH2 ARG 67 -10.553 10.691 -9.881
498 1HH2 ARG 67 2HH1 ARG 67 -8.766 10.042 -12.846
499 2HH2 ARG 67 1HH1 ARG 67 -10.060 10.947 -12.134
500 H LEU 68 H LEU 68 -5.139 2.969 -8.947
501 HA LEU 68 HA LEU 68 -2.928 3.932 -7.392
502 1HB LEU 68 1HB LEU 68 -4.746 2.480 -6.517
503 2HB LEU 68 2HB LEU 68 -4.166 1.180 -7.539
504 HG LEU 68 HG LEU 68 -1.925 2.081 -6.056
505 1HD1 LEU 68 1HD1 LEU 68 -4.466 2.068 -4.470
506 2HD1 LEU 68 2HD1 LEU 68 -2.966 1.462 -3.727
507 3HD1 LEU 68 3HD1 LEU 68 -3.042 3.130 -4.346
508 1HD2 LEU 68 1HD2 LEU 68 -3.653 -0.394 -5.986
509 2HD2 LEU 68 2HD2 LEU 68 -2.068 -0.161 -6.761
510 3HD2 LEU 68 3HD2 LEU 68 -2.191 -0.213 -4.986
511 H ARG 69 H ARG 69 -3.496 1.717 -10.164
512 HA ARG 69 HA ARG 69 -0.877 0.756 -10.193
513 1HB ARG 69 1HB ARG 69 -2.701 -0.454 -11.314
514 2HB ARG 69 2HB ARG 69 -3.023 0.911 -12.366
515 1HG ARG 69 1HG ARG 69 -1.729 -0.514 -13.738
516 2HG ARG 69 2HG ARG 69 -0.550 0.649 -13.164
517 1HD ARG 69 1HD ARG 69 -0.109 -1.047 -11.217
518 2HD ARG 69 2HD ARG 69 -0.984 -2.205 -12.199
519 HE ARG 69 HE ARG 69 1.063 -0.848 -13.750
520 1HH1 ARG 69 2HH2 ARG 69 0.555 -3.423 -11.406
521 2HH1 ARG 69 1HH2 ARG 69 1.966 -4.308 -11.883
522 1HH2 ARG 69 2HH1 ARG 69 2.924 -2.015 -14.379
523 2HH2 ARG 69 1HH1 ARG 69 3.322 -3.502 -13.585
524 H ALA 70 H ALA 70 -2.621 3.308 -12.103
525 HA ALA 70 HA ALA 70 -0.525 4.036 -13.750
526 1HB ALA 70 1HB ALA 70 -2.879 4.734 -14.024
527 2HB ALA 70 2HB ALA 70 -2.750 5.749 -12.568
528 3HB ALA 70 3HB ALA 70 -1.788 6.141 -14.013
529 H TRP 71 H TRP 71 -1.187 4.759 -10.327
530 HA TRP 71 HA TRP 71 0.675 6.896 -10.153
531 1HB TRP 71 1HB TRP 71 -1.116 6.801 -8.594
532 2HB TRP 71 2HB TRP 71 -0.713 5.165 -8.111
533 HD1 TRP 71 HD1 TRP 71 0.766 8.753 -7.788
534 HE1 TRP 71 HE1 TRP 71 2.261 8.954 -5.622
535 HE3 TRP 71 HE3 TRP 71 0.475 3.844 -6.495
536 HZ2 TRP 71 HZ2 TRP 71 3.134 7.080 -3.656
537 HZ3 TRP 71 HZ3 TRP 71 1.678 3.112 -4.437
538 HH2 TRP 71 HH2 TRP 71 2.973 4.640 -3.037
539 H LEU 72 H LEU 72 0.714 3.328 -9.716
540 HA LEU 72 HA LEU 72 3.252 3.173 -8.549
541 1HB LEU 72 1HB LEU 72 1.581 1.227 -10.131
542 2HB LEU 72 2HB LEU 72 3.140 0.800 -9.454
543 HG LEU 72 HG LEU 72 0.869 1.868 -7.766
544 1HD1 LEU 72 1HD1 LEU 72 0.044 -0.251 -7.364
545 2HD1 LEU 72 2HD1 LEU 72 0.421 -0.326 -9.102
546 3HD1 LEU 72 3HD1 LEU 72 1.531 -1.056 -7.917
547 1HD2 LEU 72 1HD2 LEU 72 3.450 1.744 -7.096
548 2HD2 LEU 72 2HD2 LEU 72 2.138 1.430 -5.935
549 3HD2 LEU 72 3HD2 LEU 72 2.990 0.070 -6.704
550 H ASP 73 H ASP 73 2.176 2.836 -12.000
551 HA ASP 73 HA ASP 73 4.765 2.522 -12.958
552 1HB ASP 73 1HB ASP 73 2.249 2.316 -14.016
553 2HB ASP 73 2HB ASP 73 2.720 3.861 -14.695
554 H ALA 74 H ALA 74 2.593 5.341 -12.399
555 HA ALA 74 HA ALA 74 3.738 7.334 -13.780
556 1HB ALA 74 1HB ALA 74 1.957 8.064 -12.535
557 2HB ALA 74 2HB ALA 74 2.412 7.093 -11.114
558 3HB ALA 74 3HB ALA 74 3.256 8.623 -11.455
559 H ALA 75 H ALA 75 5.060 5.668 -10.901
560 HA ALA 75 HA ALA 75 6.948 6.010 -9.742
561 1HB ALA 75 1HB ALA 75 8.424 4.911 -11.027
562 2HB ALA 75 2HB ALA 75 7.417 5.262 -12.452
563 3HB ALA 75 3HB ALA 75 8.719 6.381 -11.985
564 HA PRO 76 HA PRO 76 7.047 10.535 -10.314
565 1HB PRO 76 1HB PRO 76 5.818 11.273 -7.988
566 2HB PRO 76 2HB PRO 76 4.971 11.132 -9.516
567 1HG PRO 76 1HG PRO 76 4.921 9.303 -7.194
568 2HG PRO 76 2HG PRO 76 3.790 9.415 -8.527
569 1HD PRO 76 1HD PRO 76 5.822 7.424 -8.163
570 2HD PRO 76 2HD PRO 76 4.768 7.604 -9.551
571 H HIS 77 H HIS 77 8.065 12.287 -8.904
572 HA HIS 77 HA HIS 77 9.839 11.001 -6.986
573 1HB HIS 77 1HB HIS 77 10.699 11.548 -9.538
574 2HB HIS 77 2HB HIS 77 11.157 13.013 -8.692
575 HD1 HIS 77 HD1 HIS 77 13.482 11.458 -9.642
576 HD2 HIS 77 HD2 HIS 77 11.629 10.582 -5.982
577 HE1 HIS 77 HE1 HIS 77 15.210 10.201 -8.248
578 H ALA 78 H ALA 78 8.975 14.163 -8.564
579 HA ALA 78 HA ALA 78 8.539 15.232 -5.880
580 1HB ALA 78 1HB ALA 78 9.742 17.336 -6.657
581 2HB ALA 78 2HB ALA 78 10.786 15.927 -6.353
582 3HB ALA 78 3HB ALA 78 10.365 16.379 -8.022
Start of MODEL 18
1 1H MET 1 1H MET 1 14.438 -2.788 -0.706
2 HA MET 1 HA MET 1 12.255 -4.022 0.567
3 1HB MET 1 1HB MET 1 13.699 -1.703 0.915
4 2HB MET 1 2HB MET 1 12.285 -1.043 0.117
5 1HG MET 1 1HG MET 1 11.281 -1.045 2.162
6 2HG MET 1 2HG MET 1 11.166 -2.786 2.002
7 1HE MET 1 1HE MET 1 10.919 -2.997 4.187
8 2HE MET 1 2HE MET 1 12.276 -4.065 4.616
9 3HE MET 1 3HE MET 1 12.011 -2.557 5.522
10 H ALA 2 H ALA 2 9.933 -3.400 0.277
11 HA ALA 2 HA ALA 2 9.368 -2.729 -2.530
12 1HB ALA 2 1HB ALA 2 8.254 -4.667 -2.758
13 2HB ALA 2 2HB ALA 2 8.889 -5.163 -1.171
14 3HB ALA 2 3HB ALA 2 7.310 -4.350 -1.283
15 H LEU 3 H LEU 3 6.525 -2.641 -2.195
16 HA LEU 3 HA LEU 3 6.249 -0.031 -1.238
17 1HB LEU 3 1HB LEU 3 4.280 -2.193 -1.962
18 2HB LEU 3 2HB LEU 3 3.771 -0.604 -1.428
19 HG LEU 3 HG LEU 3 5.699 -0.821 -3.718
20 1HD1 LEU 3 1HD1 LEU 3 4.150 -1.409 -5.296
21 2HD1 LEU 3 2HD1 LEU 3 3.585 -2.390 -3.923
22 3HD1 LEU 3 3HD1 LEU 3 2.770 -0.857 -4.317
23 1HD2 LEU 3 1HD2 LEU 3 5.126 1.374 -2.691
24 2HD2 LEU 3 2HD2 LEU 3 4.707 1.252 -4.417
25 3HD2 LEU 3 3HD2 LEU 3 3.434 1.116 -3.180
26 H THR 4 H THR 4 4.229 0.348 0.424
27 HA THR 4 HA THR 4 4.311 -1.455 2.664
28 HB THR 4 HB THR 4 5.663 1.291 2.743
29 HG1 THR 4 HG1 THR 4 6.363 -1.483 3.413
30 1HG2 THR 4 1HG2 THR 4 4.439 1.099 4.845
31 2HG2 THR 4 2HG2 THR 4 4.843 -0.629 4.980
32 3HG2 THR 4 3HG2 THR 4 6.116 0.600 5.175
33 H LEU 5 H LEU 5 2.171 -1.663 2.934
34 HA LEU 5 HA LEU 5 0.583 0.794 2.789
35 1HB LEU 5 1HB LEU 5 -0.306 -0.690 1.272
36 2HB LEU 5 2HB LEU 5 0.031 -2.094 2.265
37 HG LEU 5 HG LEU 5 -1.767 -1.042 3.873
38 1HD1 LEU 5 1HD1 LEU 5 -2.350 0.996 3.017
39 2HD1 LEU 5 2HD1 LEU 5 -2.140 0.478 1.327
40 3HD1 LEU 5 3HD1 LEU 5 -3.581 -0.028 2.241
41 1HD2 LEU 5 1HD2 LEU 5 -2.403 -3.092 3.160
42 2HD2 LEU 5 2HD2 LEU 5 -3.543 -2.137 2.182
43 3HD2 LEU 5 3HD2 LEU 5 -2.036 -2.741 1.454
44 H TYR 6 H TYR 6 0.507 1.769 4.757
45 HA TYR 6 HA TYR 6 0.831 0.384 7.175
46 1HB TYR 6 1HB TYR 6 -0.406 3.066 6.307
47 2HB TYR 6 2HB TYR 6 -0.159 2.667 7.996
48 HD1 TYR 6 HD1 TYR 6 1.461 3.655 4.863
49 HD2 TYR 6 HD2 TYR 6 2.119 2.533 8.939
50 HE1 TYR 6 HE1 TYR 6 3.835 4.555 4.735
51 HE2 TYR 6 HE2 TYR 6 4.491 3.437 8.797
52 HH TYR 6 HH TYR 6 5.642 5.022 5.839
53 H GLN 7 H GLN 7 -0.599 -0.538 8.609
54 HA GLN 7 HA GLN 7 -3.322 0.080 8.588
55 1HB GLN 7 1HB GLN 7 -4.247 -2.058 7.777
56 2HB GLN 7 2HB GLN 7 -3.340 -1.256 6.510
57 1HG GLN 7 1HG GLN 7 -2.335 -3.308 6.283
58 2HG GLN 7 2HG GLN 7 -1.333 -2.747 7.607
59 1HE2 GLN 7 1HE2 GLN 7 -1.950 -5.441 6.946
60 2HE2 GLN 7 2HE2 GLN 7 -2.792 -6.164 8.276
61 H ARG 8 H ARG 8 -4.345 -0.735 10.477
62 HA ARG 8 HA ARG 8 -2.821 -2.683 11.970
63 1HB ARG 8 1HB ARG 8 -3.192 -1.247 14.075
64 2HB ARG 8 2HB ARG 8 -1.990 -0.647 12.950
65 1HG ARG 8 1HG ARG 8 -3.169 1.259 12.576
66 2HG ARG 8 2HG ARG 8 -4.630 0.362 12.215
67 1HD ARG 8 1HD ARG 8 -3.825 0.487 15.107
68 2HD ARG 8 2HD ARG 8 -4.391 1.982 14.391
69 HE ARG 8 HE ARG 8 -6.135 -0.262 13.745
70 1HH1 ARG 8 2HH2 ARG 8 -5.378 2.127 16.215
71 2HH1 ARG 8 1HH2 ARG 8 -6.958 2.082 16.924
72 1HH2 ARG 8 2HH1 ARG 8 -8.219 -0.323 14.681
73 2HH2 ARG 8 1HH1 ARG 8 -8.585 0.679 16.046
74 H ASP 9 H ASP 9 -4.342 -4.307 12.191
75 HA ASP 9 HA ASP 9 -6.277 -5.300 12.394
76 1HB ASP 9 1HB ASP 9 -5.647 -4.121 14.762
77 2HB ASP 9 2HB ASP 9 -7.186 -3.333 14.479
78 H ASP 10 H ASP 10 -7.376 -4.733 10.408
79 HA ASP 10 HA ASP 10 -9.594 -2.976 10.812
80 1HB ASP 10 1HB ASP 10 -7.367 -1.818 9.714
81 2HB ASP 10 2HB ASP 10 -8.107 -2.459 8.261
82 H CYS 11 H CYS 11 -11.295 -3.425 9.193
83 HA CYS 11 HA CYS 11 -10.653 -5.445 7.214
84 1HB CYS 11 1HB CYS 11 -11.474 -6.488 9.479
85 2HB CYS 11 2HB CYS 11 -13.054 -5.933 8.964
86 HG CYS 11 HG CYS 11 -11.307 -8.408 8.102
87 H HIS 12 H HIS 12 -10.944 -3.072 6.257
88 HA HIS 12 HA HIS 12 -13.300 -3.047 4.827
89 1HB HIS 12 1HB HIS 12 -14.549 -2.461 6.744
90 2HB HIS 12 2HB HIS 12 -13.345 -1.313 7.295
91 HD1 HIS 12 HD1 HIS 12 -12.972 0.744 5.313
92 HD2 HIS 12 HD2 HIS 12 -16.680 -1.190 5.633
93 HE1 HIS 12 HE1 HIS 12 -14.682 2.294 4.226
94 H LEU 13 H LEU 13 -11.601 -0.279 6.444
95 HA LEU 13 HA LEU 13 -11.149 1.028 4.008
96 1HB LEU 13 1HB LEU 13 -11.117 1.726 6.612
97 2HB LEU 13 2HB LEU 13 -9.393 1.609 6.321
98 HG LEU 13 HG LEU 13 -9.715 3.175 4.354
99 1HD1 LEU 13 1HD1 LEU 13 -11.708 4.471 4.158
100 2HD1 LEU 13 2HD1 LEU 13 -12.181 2.754 4.157
101 3HD1 LEU 13 3HD1 LEU 13 -12.404 3.739 5.623
102 1HD2 LEU 13 1HD2 LEU 13 -9.128 4.883 5.683
103 2HD2 LEU 13 2HD2 LEU 13 -10.601 4.758 6.674
104 3HD2 LEU 13 3HD2 LEU 13 -9.222 3.677 6.990
105 H CYS 14 H CYS 14 -9.156 -1.191 6.022
106 HA CYS 14 HA CYS 14 -6.873 -0.871 4.364
107 1HB CYS 14 1HB CYS 14 -6.747 -1.500 6.769
108 2HB CYS 14 2HB CYS 14 -7.488 -3.044 6.394
109 HG CYS 14 HG CYS 14 -5.695 -3.824 4.653
110 H ASP 15 H ASP 15 -9.627 -3.172 4.694
111 HA ASP 15 HA ASP 15 -8.703 -5.121 3.010
112 1HB ASP 15 1HB ASP 15 -10.995 -4.677 4.460
113 2HB ASP 15 2HB ASP 15 -11.611 -4.435 2.838
114 H GLN 16 H GLN 16 -10.776 -2.199 2.361
115 HA GLN 16 HA GLN 16 -11.093 -2.660 -0.342
116 1HB GLN 16 1HB GLN 16 -11.390 -0.323 1.507
117 2HB GLN 16 2HB GLN 16 -11.284 0.053 -0.201
118 1HG GLN 16 1HG GLN 16 -13.088 -1.824 -0.521
119 2HG GLN 16 2HG GLN 16 -13.340 -1.687 1.208
120 1HE2 GLN 16 1HE2 GLN 16 -14.971 -0.463 1.721
121 2HE2 GLN 16 2HE2 GLN 16 -15.502 0.981 0.925
122 H ALA 17 H ALA 17 -8.396 -1.347 1.531
123 HA ALA 17 HA ALA 17 -7.132 -0.055 -0.668
124 1HB ALA 17 1HB ALA 17 -5.153 -0.169 1.002
125 2HB ALA 17 2HB ALA 17 -6.591 0.765 1.480
126 3HB ALA 17 3HB ALA 17 -6.332 -0.868 2.138
127 H VAL 18 H VAL 18 -6.654 -3.192 1.094
128 HA VAL 18 HA VAL 18 -4.545 -4.074 -0.497
129 HB VAL 18 HB VAL 18 -6.647 -5.592 1.059
130 1HG1 VAL 18 1HG1 VAL 18 -5.567 -7.066 -0.561
131 2HG1 VAL 18 2HG1 VAL 18 -3.962 -6.531 -0.007
132 3HG1 VAL 18 3HG1 VAL 18 -5.021 -7.450 1.089
133 1HG2 VAL 18 1HG2 VAL 18 -4.386 -5.750 2.540
134 2HG2 VAL 18 2HG2 VAL 18 -4.160 -4.149 1.795
135 3HG2 VAL 18 3HG2 VAL 18 -5.622 -4.486 2.752
136 H GLU 19 H GLU 19 -8.092 -4.145 -0.922
137 HA GLU 19 HA GLU 19 -8.157 -6.021 -2.946
138 1HB GLU 19 1HB GLU 19 -10.001 -4.431 -1.579
139 2HB GLU 19 2HB GLU 19 -10.128 -3.839 -3.223
140 1HG GLU 19 1HG GLU 19 -9.995 -6.797 -3.052
141 2HG GLU 19 2HG GLU 19 -11.382 -6.119 -2.224
142 H ALA 20 H ALA 20 -7.937 -2.400 -3.086
143 HA ALA 20 HA ALA 20 -7.898 -2.199 -5.858
144 1HB ALA 20 1HB ALA 20 -6.337 -0.339 -4.069
145 2HB ALA 20 2HB ALA 20 -7.366 0.040 -5.471
146 3HB ALA 20 3HB ALA 20 -8.108 -0.428 -3.922
147 H LEU 21 H LEU 21 -5.302 -2.822 -3.450
148 HA LEU 21 HA LEU 21 -3.152 -2.513 -5.196
149 1HB LEU 21 1HB LEU 21 -3.663 -3.555 -2.522
150 2HB LEU 21 2HB LEU 21 -2.398 -4.439 -3.351
151 HG LEU 21 HG LEU 21 -2.368 -1.425 -3.190
152 1HD1 LEU 21 1HD1 LEU 21 -0.542 -2.383 -1.300
153 2HD1 LEU 21 2HD1 LEU 21 -2.068 -1.520 -0.991
154 3HD1 LEU 21 3HD1 LEU 21 -2.040 -3.299 -1.006
155 1HD2 LEU 21 1HD2 LEU 21 0.072 -1.758 -3.477
156 2HD2 LEU 21 2HD2 LEU 21 -0.216 -3.506 -3.658
157 3HD2 LEU 21 3HD2 LEU 21 -0.889 -2.365 -4.847
158 H ALA 22 H ALA 22 -4.901 -5.527 -4.159
159 HA ALA 22 HA ALA 22 -3.526 -7.260 -5.808
160 1HB ALA 22 1HB ALA 22 -6.439 -7.355 -4.922
161 2HB ALA 22 2HB ALA 22 -5.463 -8.738 -5.473
162 3HB ALA 22 3HB ALA 22 -5.045 -7.902 -3.958
163 H GLN 23 H GLN 23 -6.515 -5.315 -6.437
164 HA GLN 23 HA GLN 23 -7.012 -6.330 -8.939
165 1HB GLN 23 1HB GLN 23 -7.653 -3.730 -7.544
166 2HB GLN 23 2HB GLN 23 -8.043 -3.892 -9.245
167 1HG GLN 23 1HG GLN 23 -8.933 -6.315 -8.071
168 2HG GLN 23 2HG GLN 23 -9.381 -5.073 -6.918
169 1HE2 GLN 23 1HE2 GLN 23 -11.042 -3.762 -7.311
170 2HE2 GLN 23 2HE2 GLN 23 -11.991 -3.729 -8.759
171 H ALA 24 H ALA 24 -4.872 -3.633 -7.873
172 HA ALA 24 HA ALA 24 -4.204 -2.875 -10.538
173 1HB ALA 24 1HB ALA 24 -3.124 -2.240 -7.773
174 2HB ALA 24 2HB ALA 24 -2.391 -1.582 -9.256
175 3HB ALA 24 3HB ALA 24 -4.082 -1.198 -8.853
176 H ARG 25 H ARG 25 -3.469 -5.581 -8.614
177 HA ARG 25 HA ARG 25 -2.013 -7.171 -8.736
178 1HB ARG 25 1HB ARG 25 -1.968 -6.058 -11.522
179 2HB ARG 25 2HB ARG 25 -0.638 -7.124 -11.115
180 1HG ARG 25 1HG ARG 25 -3.175 -8.227 -10.146
181 2HG ARG 25 2HG ARG 25 -3.268 -7.883 -11.862
182 1HD ARG 25 1HD ARG 25 -0.761 -9.056 -11.686
183 2HD ARG 25 2HD ARG 25 -1.627 -9.914 -10.427
184 HE ARG 25 HE ARG 25 -3.206 -9.736 -12.861
185 1HH1 ARG 25 2HH2 ARG 25 -0.575 -11.504 -11.332
186 2HH1 ARG 25 1HH2 ARG 25 -0.825 -12.939 -12.269
187 1HH2 ARG 25 2HH1 ARG 25 -3.537 -11.630 -14.097
188 2HH2 ARG 25 1HH1 ARG 25 -2.521 -13.011 -13.852
189 H ALA 26 H ALA 26 -1.135 -4.811 -7.409
190 HA ALA 26 HA ALA 26 1.262 -3.741 -8.205
191 1HB ALA 26 1HB ALA 26 -0.279 -4.067 -5.707
192 2HB ALA 26 2HB ALA 26 1.473 -3.875 -5.457
193 3HB ALA 26 3HB ALA 26 0.561 -2.638 -6.354
194 H GLY 27 H GLY 27 0.738 -6.604 -6.021
195 1HA GLY 27 1HA GLY 27 2.113 -8.569 -6.697
196 2HA GLY 27 2HA GLY 27 3.479 -7.471 -6.723
197 H ALA 28 H ALA 28 4.729 -8.237 -5.023
198 HA ALA 28 HA ALA 28 3.419 -8.799 -2.495
199 1HB ALA 28 1HB ALA 28 6.336 -9.011 -3.344
200 2HB ALA 28 2HB ALA 28 5.616 -9.674 -1.858
201 3HB ALA 28 3HB ALA 28 5.142 -10.326 -3.445
202 H PHE 29 H PHE 29 4.141 -7.778 -0.478
203 HA PHE 29 HA PHE 29 5.748 -5.425 -0.655
204 1HB PHE 29 1HB PHE 29 3.813 -3.958 0.146
205 2HB PHE 29 2HB PHE 29 3.592 -4.540 -1.492
206 HD1 PHE 29 HD1 PHE 29 2.664 -5.294 2.029
207 HD2 PHE 29 HD2 PHE 29 1.651 -5.698 -2.072
208 HE1 PHE 29 HE1 PHE 29 0.440 -6.264 2.674
209 HE2 PHE 29 HE2 PHE 29 -0.573 -6.667 -1.427
210 HZ PHE 29 HZ PHE 29 -1.152 -6.939 0.938
211 H PHE 30 H PHE 30 5.154 -4.131 1.672
212 HA PHE 30 HA PHE 30 5.267 -6.290 3.660
213 1HB PHE 30 1HB PHE 30 6.663 -3.569 3.369
214 2HB PHE 30 2HB PHE 30 6.669 -4.438 4.891
215 HD1 PHE 30 HD1 PHE 30 8.603 -5.592 5.330
216 HD2 PHE 30 HD2 PHE 30 7.326 -5.255 1.298
217 HE1 PHE 30 HE1 PHE 30 10.621 -6.885 4.583
218 HE2 PHE 30 HE2 PHE 30 9.344 -6.548 0.551
219 HZ PHE 30 HZ PHE 30 10.967 -7.347 2.203
220 H SER 31 H SER 31 4.154 -5.989 5.637
221 HA SER 31 HA SER 31 2.204 -3.841 5.488
222 1HB SER 31 1HB SER 31 1.785 -6.507 5.847
223 2HB SER 31 2HB SER 31 1.943 -6.024 7.524
224 HG SER 31 HG SER 31 0.337 -4.218 6.796
225 H VAL 32 H VAL 32 1.949 -2.353 7.217
226 HA VAL 32 HA VAL 32 3.758 -2.700 9.489
227 HB VAL 32 HB VAL 32 3.558 -0.306 7.662
228 1HG1 VAL 32 1HG1 VAL 32 3.878 -0.292 10.494
229 2HG1 VAL 32 2HG1 VAL 32 5.453 0.112 9.768
230 3HG1 VAL 32 3HG1 VAL 32 4.010 1.070 9.355
231 1HG2 VAL 32 1HG2 VAL 32 5.597 -2.393 8.230
232 2HG2 VAL 32 2HG2 VAL 32 5.263 -1.486 6.735
233 3HG2 VAL 32 3HG2 VAL 32 6.197 -0.727 8.047
234 H PHE 33 H PHE 33 2.891 -2.030 11.447
235 HA PHE 33 HA PHE 33 0.104 -1.163 11.278
236 1HB PHE 33 1HB PHE 33 1.717 -2.173 13.685
237 2HB PHE 33 2HB PHE 33 -0.028 -2.165 13.523
238 HD1 PHE 33 HD1 PHE 33 3.018 -3.982 12.855
239 HD2 PHE 33 HD2 PHE 33 -1.124 -3.776 11.958
240 HE1 PHE 33 HE1 PHE 33 3.087 -6.340 11.998
241 HE2 PHE 33 HE2 PHE 33 -1.056 -6.134 11.100
242 HZ PHE 33 HZ PHE 33 1.049 -7.387 11.131
243 H ILE 34 H ILE 34 -0.436 0.900 11.810
244 HA ILE 34 HA ILE 34 1.618 2.644 12.778
245 HB ILE 34 HB ILE 34 0.081 4.387 12.374
246 1HG1 ILE 34 1HG1 ILE 34 -2.277 2.793 11.647
247 2HG1 ILE 34 2HG1 ILE 34 -1.862 2.679 13.346
248 1HG2 ILE 34 1HG2 ILE 34 -0.624 3.954 10.051
249 2HG2 ILE 34 2HG2 ILE 34 1.040 3.411 10.373
250 3HG2 ILE 34 3HG2 ILE 34 -0.282 2.223 10.284
251 1HD1 ILE 34 1HD1 ILE 34 -2.002 5.359 11.906
252 2HD1 ILE 34 2HD1 ILE 34 -3.423 4.614 12.677
253 3HD1 ILE 34 3HD1 ILE 34 -2.006 5.055 13.660
254 H ASP 35 H ASP 35 -0.669 0.500 14.189
255 HA ASP 35 HA ASP 35 -1.500 1.896 16.382
256 1HB ASP 35 1HB ASP 35 -2.041 -0.222 17.328
257 2HB ASP 35 2HB ASP 35 -2.132 -0.476 15.597
258 H ASP 36 H ASP 36 -0.641 1.961 18.619
259 HA ASP 36 HA ASP 36 0.876 1.817 20.207
260 1HB ASP 36 1HB ASP 36 1.813 -0.204 18.630
261 2HB ASP 36 2HB ASP 36 3.142 0.923 18.450
262 H ASP 37 H ASP 37 2.361 2.537 16.955
263 HA ASP 37 HA ASP 37 4.072 4.503 17.968
264 1HB ASP 37 1HB ASP 37 3.034 3.862 15.176
265 2HB ASP 37 2HB ASP 37 4.171 5.165 15.457
266 H ALA 38 H ALA 38 3.094 6.291 18.993
267 HA ALA 38 HA ALA 38 0.587 7.314 18.186
268 1HB ALA 38 1HB ALA 38 0.874 7.942 20.338
269 2HB ALA 38 2HB ALA 38 2.646 7.806 20.231
270 3HB ALA 38 3HB ALA 38 1.833 9.291 19.681
271 H ALA 39 H ALA 39 3.991 8.004 17.368
272 HA ALA 39 HA ALA 39 3.618 10.516 16.227
273 1HB ALA 39 1HB ALA 39 5.827 9.780 16.700
274 2HB ALA 39 2HB ALA 39 5.604 8.264 15.794
275 3HB ALA 39 3HB ALA 39 5.722 9.812 14.924
276 H LEU 40 H LEU 40 3.554 7.200 14.749
277 HA LEU 40 HA LEU 40 2.895 8.162 12.184
278 1HB LEU 40 1HB LEU 40 2.505 5.425 13.403
279 2HB LEU 40 2HB LEU 40 2.415 5.810 11.696
280 HG LEU 40 HG LEU 40 4.907 6.235 13.363
281 1HD1 LEU 40 1HD1 LEU 40 4.151 3.845 11.659
282 2HD1 LEU 40 2HD1 LEU 40 5.761 4.150 12.353
283 3HD1 LEU 40 3HD1 LEU 40 4.367 3.875 13.425
284 1HD2 LEU 40 1HD2 LEU 40 4.379 7.406 11.039
285 2HD2 LEU 40 2HD2 LEU 40 6.005 6.809 11.451
286 3HD2 LEU 40 3HD2 LEU 40 4.939 5.839 10.406
287 H GLU 41 H GLU 41 0.997 7.131 15.046
288 HA GLU 41 HA GLU 41 -1.445 6.979 13.769
289 1HB GLU 41 1HB GLU 41 -0.633 7.562 16.636
290 2HB GLU 41 2HB GLU 41 -2.321 7.510 16.169
291 1HG GLU 41 1HG GLU 41 -0.716 5.209 15.175
292 2HG GLU 41 2HG GLU 41 -0.819 5.307 16.921
293 H SER 42 H SER 42 0.250 9.744 15.365
294 HA SER 42 HA SER 42 -1.897 11.509 14.970
295 1HB SER 42 1HB SER 42 0.564 11.526 16.343
296 2HB SER 42 2HB SER 42 0.740 12.791 15.143
297 HG SER 42 HG SER 42 -0.628 14.026 16.232
298 H ALA 43 H ALA 43 0.851 10.398 13.028
299 HA ALA 43 HA ALA 43 0.779 12.575 11.188
300 1HB ALA 43 1HB ALA 43 2.606 11.542 10.265
301 2HB ALA 43 2HB ALA 43 2.621 10.711 11.838
302 3HB ALA 43 3HB ALA 43 1.901 9.916 10.418
303 H TYR 44 H TYR 44 -0.652 9.284 11.421
304 HA TYR 44 HA TYR 44 -2.119 9.862 8.940
305 1HB TYR 44 1HB TYR 44 -1.308 7.337 10.501
306 2HB TYR 44 2HB TYR 44 -2.442 7.264 9.168
307 HD1 TYR 44 HD1 TYR 44 0.867 6.729 10.002
308 HD2 TYR 44 HD2 TYR 44 -1.489 8.607 6.964
309 HE1 TYR 44 HE1 TYR 44 2.798 6.515 8.362
310 HE2 TYR 44 HE2 TYR 44 0.450 8.387 5.335
311 HH TYR 44 HH TYR 44 2.848 6.370 5.651
312 H GLY 45 H GLY 45 -2.666 7.730 11.827
313 1HA GLY 45 1HA GLY 45 -4.425 7.537 13.213
314 2HA GLY 45 2HA GLY 45 -4.829 9.206 12.860
315 H LEU 46 H LEU 46 -5.922 9.616 10.645
316 HA LEU 46 HA LEU 46 -7.963 7.562 10.335
317 1HB LEU 46 1HB LEU 46 -7.874 10.440 10.251
318 2HB LEU 46 2HB LEU 46 -8.537 9.820 8.753
319 HG LEU 46 HG LEU 46 -10.271 10.337 10.417
320 1HD1 LEU 46 1HD1 LEU 46 -9.912 7.717 9.141
321 2HD1 LEU 46 2HD1 LEU 46 -11.082 7.719 10.483
322 3HD1 LEU 46 3HD1 LEU 46 -11.297 8.836 9.113
323 1HD2 LEU 46 1HD2 LEU 46 -9.187 9.947 12.491
324 2HD2 LEU 46 2HD2 LEU 46 -10.523 8.774 12.383
325 3HD2 LEU 46 3HD2 LEU 46 -8.850 8.248 12.079
326 H ARG 47 H ARG 47 -5.131 8.932 8.780
327 HA ARG 47 HA ARG 47 -5.916 7.792 6.255
328 1HB ARG 47 1HB ARG 47 -3.501 9.444 7.136
329 2HB ARG 47 2HB ARG 47 -3.651 8.788 5.518
330 1HG ARG 47 1HG ARG 47 -4.959 10.536 4.916
331 2HG ARG 47 2HG ARG 47 -6.144 10.078 6.123
332 1HD ARG 47 1HD ARG 47 -5.492 11.736 7.564
333 2HD ARG 47 2HD ARG 47 -3.788 11.412 7.313
334 HE ARG 47 HE ARG 47 -4.951 12.652 4.965
335 1HH1 ARG 47 2HH2 ARG 47 -3.778 13.359 8.207
336 2HH1 ARG 47 1HH2 ARG 47 -3.388 15.007 7.844
337 1HH2 ARG 47 2HH1 ARG 47 -4.437 14.826 4.486
338 2HH2 ARG 47 1HH1 ARG 47 -3.765 15.847 5.714
339 H VAL 48 H VAL 48 -5.585 5.892 8.361
340 HA VAL 48 HA VAL 48 -3.041 4.838 8.623
341 HB VAL 48 HB VAL 48 -5.818 4.024 9.086
342 1HG1 VAL 48 1HG1 VAL 48 -4.944 1.590 9.533
343 2HG1 VAL 48 2HG1 VAL 48 -5.490 2.058 7.905
344 3HG1 VAL 48 3HG1 VAL 48 -3.750 1.996 8.277
345 1HG2 VAL 48 1HG2 VAL 48 -4.280 2.888 11.044
346 2HG2 VAL 48 2HG2 VAL 48 -3.250 4.244 10.526
347 3HG2 VAL 48 3HG2 VAL 48 -4.913 4.551 11.083
348 HA PRO 49 HA PRO 49 -4.035 2.296 4.758
349 1HB PRO 49 1HB PRO 49 -6.195 2.942 3.214
350 2HB PRO 49 2HB PRO 49 -6.232 1.686 4.435
351 1HG PRO 49 1HG PRO 49 -7.396 4.401 4.534
352 2HG PRO 49 2HG PRO 49 -7.770 3.009 5.531
353 1HD PRO 49 1HD PRO 49 -6.183 5.278 6.278
354 2HD PRO 49 2HD PRO 49 -6.461 3.834 7.231
355 H VAL 50 H VAL 50 -2.103 3.728 4.602
356 HA VAL 50 HA VAL 50 -2.507 5.472 2.270
357 HB VAL 50 HB VAL 50 -0.834 5.753 4.747
358 1HG1 VAL 50 1HG1 VAL 50 0.904 6.266 3.365
359 2HG1 VAL 50 2HG1 VAL 50 -0.156 6.664 1.992
360 3HG1 VAL 50 3HG1 VAL 50 0.069 7.837 3.312
361 1HG2 VAL 50 1HG2 VAL 50 -3.207 6.766 4.322
362 2HG2 VAL 50 2HG2 VAL 50 -1.932 7.777 5.044
363 3HG2 VAL 50 3HG2 VAL 50 -2.325 7.941 3.316
364 H LEU 51 H LEU 51 -1.336 5.003 0.457
365 HA LEU 51 HA LEU 51 0.453 2.714 0.666
366 1HB LEU 51 1HB LEU 51 -1.487 2.842 -0.956
367 2HB LEU 51 2HB LEU 51 -0.582 4.068 -1.821
368 HG LEU 51 HG LEU 51 0.763 2.570 -2.809
369 1HD1 LEU 51 1HD1 LEU 51 2.053 2.133 -0.809
370 2HD1 LEU 51 2HD1 LEU 51 0.828 0.978 -0.231
371 3HD1 LEU 51 3HD1 LEU 51 1.776 0.613 -1.693
372 1HD2 LEU 51 1HD2 LEU 51 -0.687 1.125 -3.657
373 2HD2 LEU 51 2HD2 LEU 51 -0.524 0.099 -2.212
374 3HD2 LEU 51 3HD2 LEU 51 -1.766 1.374 -2.263
375 H ARG 52 H ARG 52 2.575 3.089 0.981
376 HA ARG 52 HA ARG 52 3.590 5.591 -0.104
377 1HB ARG 52 1HB ARG 52 5.329 5.499 1.642
378 2HB ARG 52 2HB ARG 52 3.749 5.359 2.388
379 1HG ARG 52 1HG ARG 52 4.178 3.256 3.162
380 2HG ARG 52 2HG ARG 52 4.815 2.725 1.618
381 1HD ARG 52 1HD ARG 52 6.564 4.634 3.115
382 2HD ARG 52 2HD ARG 52 6.348 3.071 3.878
383 HE ARG 52 HE ARG 52 6.972 2.930 1.006
384 1HH1 ARG 52 2HH2 ARG 52 8.280 2.996 4.272
385 2HH1 ARG 52 1HH2 ARG 52 9.781 2.258 3.823
386 1HH2 ARG 52 2HH1 ARG 52 8.953 1.956 0.413
387 2HH2 ARG 52 1HH1 ARG 52 10.166 1.663 1.613
388 H ASP 53 H ASP 53 6.002 5.465 -0.779
389 HA ASP 53 HA ASP 53 6.573 2.797 -1.802
390 1HB ASP 53 1HB ASP 53 7.794 4.427 -3.641
391 2HB ASP 53 2HB ASP 53 6.206 3.719 -3.861
392 HA PRO 54 HA PRO 54 10.620 3.625 -0.321
393 1HB PRO 54 1HB PRO 54 12.282 2.440 -2.138
394 2HB PRO 54 2HB PRO 54 11.410 1.544 -0.911
395 1HG PRO 54 1HG PRO 54 10.857 1.738 -3.808
396 2HG PRO 54 2HG PRO 54 10.284 0.546 -2.659
397 1HD PRO 54 1HD PRO 54 8.791 2.744 -3.741
398 2HD PRO 54 2HD PRO 54 8.257 1.621 -2.505
399 H MET 55 H MET 55 9.789 4.847 -3.382
400 HA MET 55 HA MET 55 12.149 6.250 -3.856
401 1HB MET 55 1HB MET 55 9.237 6.556 -4.727
402 2HB MET 55 2HB MET 55 10.447 7.700 -5.272
403 1HG MET 55 1HG MET 55 10.513 6.118 -7.004
404 2HG MET 55 2HG MET 55 11.810 5.541 -5.977
405 1HE MET 55 1HE MET 55 11.867 2.880 -6.182
406 2HE MET 55 2HE MET 55 10.453 2.132 -6.963
407 3HE MET 55 3HE MET 55 11.225 3.557 -7.698
408 H GLY 56 H GLY 56 9.135 7.038 -2.057
409 1HA GLY 56 1HA GLY 56 9.557 8.474 -0.095
410 2HA GLY 56 2HA GLY 56 10.426 9.550 -1.170
411 H ARG 57 H ARG 57 7.383 7.745 -1.894
412 HA ARG 57 HA ARG 57 5.967 10.262 -1.750
413 1HB ARG 57 1HB ARG 57 5.749 8.389 -4.158
414 2HB ARG 57 2HB ARG 57 4.950 9.938 -3.969
415 1HG ARG 57 1HG ARG 57 7.671 10.539 -3.554
416 2HG ARG 57 2HG ARG 57 7.702 9.352 -4.843
417 1HD ARG 57 1HD ARG 57 5.942 10.730 -6.068
418 2HD ARG 57 2HD ARG 57 6.099 11.954 -4.824
419 HE ARG 57 HE ARG 57 8.689 11.237 -5.929
420 1HH1 ARG 57 2HH2 ARG 57 5.805 13.160 -6.533
421 2HH1 ARG 57 1HH2 ARG 57 6.623 14.302 -7.546
422 1HH2 ARG 57 2HH1 ARG 57 9.770 12.744 -7.265
423 2HH2 ARG 57 1HH1 ARG 57 8.894 14.064 -7.965
424 H GLU 58 H GLU 58 3.522 9.908 -1.799
425 HA GLU 58 HA GLU 58 2.847 7.174 -1.070
426 1HB GLU 58 1HB GLU 58 1.199 8.401 0.622
427 2HB GLU 58 2HB GLU 58 2.848 8.030 1.083
428 1HG GLU 58 1HG GLU 58 2.504 10.326 1.695
429 2HG GLU 58 2HG GLU 58 3.507 10.364 0.259
430 H LEU 59 H LEU 59 0.326 6.902 -1.049
431 HA LEU 59 HA LEU 59 -0.802 8.604 -3.160
432 1HB LEU 59 1HB LEU 59 -0.058 6.326 -3.922
433 2HB LEU 59 2HB LEU 59 -1.260 5.637 -2.850
434 HG LEU 59 HG LEU 59 -3.049 6.788 -4.092
435 1HD1 LEU 59 1HD1 LEU 59 -1.972 7.569 -6.496
436 2HD1 LEU 59 2HD1 LEU 59 -2.473 8.655 -5.178
437 3HD1 LEU 59 3HD1 LEU 59 -0.769 8.160 -5.325
438 1HD2 LEU 59 1HD2 LEU 59 -1.205 4.831 -5.365
439 2HD2 LEU 59 2HD2 LEU 59 -2.921 4.678 -4.917
440 3HD2 LEU 59 3HD2 LEU 59 -2.462 5.562 -6.393
441 H ASP 60 H ASP 60 -3.054 9.071 -2.991
442 HA ASP 60 HA ASP 60 -3.920 9.486 -0.433
443 1HB ASP 60 1HB ASP 60 -6.276 9.524 -1.729
444 2HB ASP 60 2HB ASP 60 -5.089 10.796 -1.936
445 H TRP 61 H TRP 61 -5.495 8.360 0.908
446 HA TRP 61 HA TRP 61 -5.395 5.605 0.886
447 1HB TRP 61 1HB TRP 61 -6.101 6.142 2.914
448 2HB TRP 61 2HB TRP 61 -6.718 7.695 2.385
449 HD1 TRP 61 HD1 TRP 61 -9.198 7.798 3.197
450 HE1 TRP 61 HE1 TRP 61 -11.352 6.273 3.175
451 HE3 TRP 61 HE3 TRP 61 -6.931 3.720 1.174
452 HZ2 TRP 61 HZ2 TRP 61 -11.854 3.592 2.334
453 HZ3 TRP 61 HZ3 TRP 61 -8.325 1.690 0.785
454 HH2 TRP 61 HH2 TRP 61 -10.705 1.585 1.330
455 HA PRO 62 HA PRO 62 -9.558 5.714 -1.362
456 1HB PRO 62 1HB PRO 62 -10.680 8.087 -2.124
457 2HB PRO 62 2HB PRO 62 -11.088 7.271 -0.628
458 1HG PRO 62 1HG PRO 62 -9.409 9.670 -1.032
459 2HG PRO 62 2HG PRO 62 -10.168 9.097 0.439
460 1HD PRO 62 1HD PRO 62 -7.397 8.867 -0.264
461 2HD PRO 62 2HD PRO 62 -8.178 8.193 1.152
462 H PHE 63 H PHE 63 -8.758 4.650 -3.082
463 HA PHE 63 HA PHE 63 -8.221 6.393 -5.354
464 1HB PHE 63 1HB PHE 63 -6.259 4.588 -5.725
465 2HB PHE 63 2HB PHE 63 -5.976 5.978 -4.696
466 HD1 PHE 63 HD1 PHE 63 -4.387 5.127 -3.196
467 HD2 PHE 63 HD2 PHE 63 -7.983 2.973 -3.853
468 HE1 PHE 63 HE1 PHE 63 -3.821 3.600 -1.286
469 HE2 PHE 63 HE2 PHE 63 -7.417 1.445 -1.944
470 HZ PHE 63 HZ PHE 63 -5.343 1.777 -0.683
471 H ASP 64 H ASP 64 -7.481 4.517 -7.237
472 HA ASP 64 HA ASP 64 -9.660 2.587 -7.085
473 1HB ASP 64 1HB ASP 64 -8.663 3.904 -9.646
474 2HB ASP 64 2HB ASP 64 -10.098 2.917 -9.454
475 H ALA 65 H ALA 65 -9.113 1.121 -9.416
476 HA ALA 65 HA ALA 65 -6.699 -0.226 -8.673
477 1HB ALA 65 1HB ALA 65 -7.843 -1.118 -11.174
478 2HB ALA 65 2HB ALA 65 -7.809 -1.945 -9.598
479 3HB ALA 65 3HB ALA 65 -9.141 -0.831 -9.990
480 HA PRO 66 HA PRO 66 -5.420 1.562 -12.867
481 1HB PRO 66 1HB PRO 66 -6.963 3.470 -14.069
482 2HB PRO 66 2HB PRO 66 -7.062 1.767 -14.468
483 1HG PRO 66 1HG PRO 66 -8.936 3.410 -12.878
484 2HG PRO 66 2HG PRO 66 -9.212 1.855 -13.637
485 1HD PRO 66 1HD PRO 66 -8.755 2.346 -10.848
486 2HD PRO 66 2HD PRO 66 -8.915 0.783 -11.624
487 H ARG 67 H ARG 67 -6.793 3.530 -10.438
488 HA ARG 67 HA ARG 67 -5.101 5.726 -11.088
489 1HB ARG 67 1HB ARG 67 -7.482 5.479 -9.710
490 2HB ARG 67 2HB ARG 67 -6.353 5.590 -8.374
491 1HG ARG 67 1HG ARG 67 -5.742 7.774 -8.878
492 2HG ARG 67 2HG ARG 67 -5.948 7.554 -10.604
493 1HD ARG 67 1HD ARG 67 -8.540 7.226 -9.393
494 2HD ARG 67 2HD ARG 67 -7.823 8.665 -8.696
495 HE ARG 67 HE ARG 67 -8.770 8.376 -11.408
496 1HH1 ARG 67 2HH2 ARG 67 -6.241 9.926 -9.514
497 2HH1 ARG 67 1HH2 ARG 67 -6.014 11.221 -10.642
498 1HH2 ARG 67 2HH1 ARG 67 -8.470 10.084 -12.895
499 2HH2 ARG 67 1HH1 ARG 67 -7.290 11.312 -12.578
500 H LEU 68 H LEU 68 -5.129 2.897 -8.926
501 HA LEU 68 HA LEU 68 -2.958 3.864 -7.319
502 1HB LEU 68 1HB LEU 68 -4.811 2.396 -6.510
503 2HB LEU 68 2HB LEU 68 -4.158 1.098 -7.489
504 HG LEU 68 HG LEU 68 -1.979 1.990 -5.966
505 1HD1 LEU 68 1HD1 LEU 68 -4.395 2.712 -4.615
506 2HD1 LEU 68 2HD1 LEU 68 -3.613 1.381 -3.728
507 3HD1 LEU 68 3HD1 LEU 68 -2.708 2.876 -4.071
508 1HD2 LEU 68 1HD2 LEU 68 -3.822 -0.394 -5.689
509 2HD2 LEU 68 2HD2 LEU 68 -2.277 -0.295 -6.567
510 3HD2 LEU 68 3HD2 LEU 68 -2.297 -0.208 -4.789
511 H ARG 69 H ARG 69 -3.457 1.673 -10.118
512 HA ARG 69 HA ARG 69 -0.827 0.719 -10.080
513 1HB ARG 69 1HB ARG 69 -2.633 -0.512 -11.219
514 2HB ARG 69 2HB ARG 69 -2.925 0.834 -12.302
515 1HG ARG 69 1HG ARG 69 -1.495 -0.221 -13.731
516 2HG ARG 69 2HG ARG 69 -0.217 0.393 -12.701
517 1HD ARG 69 1HD ARG 69 -0.657 -1.776 -11.259
518 2HD ARG 69 2HD ARG 69 -1.479 -2.370 -12.688
519 HE ARG 69 HE ARG 69 0.608 -2.728 -13.655
520 1HH1 ARG 69 2HH2 ARG 69 0.930 -0.204 -11.225
521 2HH1 ARG 69 1HH2 ARG 69 2.644 -0.053 -11.425
522 1HH2 ARG 69 2HH1 ARG 69 2.869 -2.529 -13.920
523 2HH2 ARG 69 1HH1 ARG 69 3.754 -1.384 -12.969
524 H ALA 70 H ALA 70 -2.567 3.247 -12.023
525 HA ALA 70 HA ALA 70 -0.447 3.980 -13.644
526 1HB ALA 70 1HB ALA 70 -2.626 4.739 -14.192
527 2HB ALA 70 2HB ALA 70 -2.885 5.429 -12.571
528 3HB ALA 70 3HB ALA 70 -1.749 6.207 -13.699
529 H TRP 71 H TRP 71 -1.167 4.689 -10.238
530 HA TRP 71 HA TRP 71 0.670 6.860 -10.056
531 1HB TRP 71 1HB TRP 71 -1.200 6.751 -8.560
532 2HB TRP 71 2HB TRP 71 -0.733 5.160 -7.992
533 HD1 TRP 71 HD1 TRP 71 0.488 8.841 -7.756
534 HE1 TRP 71 HE1 TRP 71 1.952 9.206 -5.591
535 HE3 TRP 71 HE3 TRP 71 0.591 3.951 -6.364
536 HZ2 TRP 71 HZ2 TRP 71 2.966 7.449 -3.584
537 HZ3 TRP 71 HZ3 TRP 71 1.841 3.361 -4.289
538 HH2 TRP 71 HH2 TRP 71 3.001 5.017 -2.916
539 H LEU 72 H LEU 72 0.697 3.301 -9.564
540 HA LEU 72 HA LEU 72 3.203 3.174 -8.317
541 1HB LEU 72 1HB LEU 72 1.540 1.203 -9.870
542 2HB LEU 72 2HB LEU 72 3.104 0.777 -9.204
543 HG LEU 72 HG LEU 72 1.088 1.997 -7.362
544 1HD1 LEU 72 1HD1 LEU 72 -0.448 0.503 -8.130
545 2HD1 LEU 72 2HD1 LEU 72 0.783 -0.637 -8.726
546 3HD1 LEU 72 3HD1 LEU 72 0.417 -0.551 -6.986
547 1HD2 LEU 72 1HD2 LEU 72 2.155 0.618 -5.712
548 2HD2 LEU 72 2HD2 LEU 72 3.065 -0.263 -6.963
549 3HD2 LEU 72 3HD2 LEU 72 3.413 1.455 -6.652
550 H ASP 73 H ASP 73 2.173 3.001 -11.777
551 HA ASP 73 HA ASP 73 4.823 2.608 -12.656
552 1HB ASP 73 1HB ASP 73 2.167 2.664 -13.777
553 2HB ASP 73 2HB ASP 73 3.149 3.777 -14.708
554 H ALA 74 H ALA 74 3.173 5.257 -11.327
555 HA ALA 74 HA ALA 74 4.425 7.258 -13.026
556 1HB ALA 74 1HB ALA 74 2.104 7.611 -12.392
557 2HB ALA 74 2HB ALA 74 2.504 7.414 -10.669
558 3HB ALA 74 3HB ALA 74 3.114 8.823 -11.569
559 H ALA 75 H ALA 75 4.986 5.434 -10.118
560 HA ALA 75 HA ALA 75 6.336 7.192 -8.516
561 1HB ALA 75 1HB ALA 75 6.733 5.298 -7.356
562 2HB ALA 75 2HB ALA 75 5.869 4.440 -8.654
563 3HB ALA 75 3HB ALA 75 7.643 4.576 -8.705
564 HA PRO 76 HA PRO 76 10.190 6.418 -11.145
565 1HB PRO 76 1HB PRO 76 10.006 5.049 -13.503
566 2HB PRO 76 2HB PRO 76 10.473 4.296 -11.991
567 1HG PRO 76 1HG PRO 76 7.898 4.118 -13.432
568 2HG PRO 76 2HG PRO 76 8.530 3.067 -12.180
569 1HD PRO 76 1HD PRO 76 6.515 5.085 -11.871
570 2HD PRO 76 2HD PRO 76 7.230 4.114 -10.599
571 H HIS 77 H HIS 77 11.180 7.163 -13.383
572 HA HIS 77 HA HIS 77 11.257 8.773 -14.870
573 1HB HIS 77 1HB HIS 77 9.058 7.476 -15.564
574 2HB HIS 77 2HB HIS 77 8.272 8.965 -15.077
575 HD1 HIS 77 HD1 HIS 77 8.309 10.895 -16.719
576 HD2 HIS 77 HD2 HIS 77 11.000 7.842 -17.738
577 HE1 HIS 77 HE1 HIS 77 9.208 11.477 -19.035
578 H ALA 78 H ALA 78 10.483 9.152 -11.814
579 HA ALA 78 HA ALA 78 9.063 11.372 -11.333
580 1HB ALA 78 1HB ALA 78 11.235 11.775 -9.703
581 2HB ALA 78 2HB ALA 78 9.937 10.600 -9.383
582 3HB ALA 78 3HB ALA 78 11.448 10.067 -10.157
Start of MODEL 19
1 1H MET 1 1H MET 1 11.713 -0.320 -3.777
2 HA MET 1 HA MET 1 13.128 -2.506 -3.845
3 1HB MET 1 1HB MET 1 14.164 -1.827 -1.624
4 2HB MET 1 2HB MET 1 12.583 -1.939 -0.876
5 1HG MET 1 1HG MET 1 13.269 -4.088 -0.401
6 2HG MET 1 2HG MET 1 12.678 -4.410 -2.019
7 1HE MET 1 1HE MET 1 15.083 -5.741 -0.058
8 2HE MET 1 2HE MET 1 14.441 -6.562 -1.501
9 3HE MET 1 3HE MET 1 16.194 -6.307 -1.328
10 H ALA 2 H ALA 2 10.465 -1.179 -1.773
11 HA ALA 2 HA ALA 2 8.534 -2.689 -3.218
12 1HB ALA 2 1HB ALA 2 7.974 -4.334 -1.695
13 2HB ALA 2 2HB ALA 2 9.730 -4.253 -1.419
14 3HB ALA 2 3HB ALA 2 8.616 -3.422 -0.308
15 H LEU 3 H LEU 3 6.285 -2.371 -2.029
16 HA LEU 3 HA LEU 3 6.218 0.443 -1.339
17 1HB LEU 3 1HB LEU 3 4.155 -1.601 -2.121
18 2HB LEU 3 2HB LEU 3 3.696 -0.047 -1.455
19 HG LEU 3 HG LEU 3 5.607 0.208 -3.658
20 1HD1 LEU 3 1HD1 LEU 3 4.018 -1.910 -4.102
21 2HD1 LEU 3 2HD1 LEU 3 2.938 -0.613 -4.666
22 3HD1 LEU 3 3HD1 LEU 3 4.554 -0.802 -5.387
23 1HD2 LEU 3 1HD2 LEU 3 3.440 1.601 -4.420
24 2HD2 LEU 3 2HD2 LEU 3 3.108 1.473 -2.676
25 3HD2 LEU 3 3HD2 LEU 3 4.629 2.204 -3.241
26 H THR 4 H THR 4 4.177 0.793 0.367
27 HA THR 4 HA THR 4 4.314 -1.062 2.560
28 HB THR 4 HB THR 4 5.528 1.742 2.811
29 HG1 THR 4 HG1 THR 4 6.593 -0.983 3.041
30 1HG2 THR 4 1HG2 THR 4 6.135 1.055 5.073
31 2HG2 THR 4 2HG2 THR 4 4.382 0.794 4.904
32 3HG2 THR 4 3HG2 THR 4 5.502 -0.585 4.798
33 H LEU 5 H LEU 5 2.240 -1.261 3.100
34 HA LEU 5 HA LEU 5 0.601 1.167 2.931
35 1HB LEU 5 1HB LEU 5 -0.285 -0.392 1.455
36 2HB LEU 5 2HB LEU 5 0.024 -1.746 2.525
37 HG LEU 5 HG LEU 5 -1.740 -0.354 4.044
38 1HD1 LEU 5 1HD1 LEU 5 -1.966 1.345 2.198
39 2HD1 LEU 5 2HD1 LEU 5 -2.744 0.075 1.223
40 3HD1 LEU 5 3HD1 LEU 5 -3.488 0.606 2.751
41 1HD2 LEU 5 1HD2 LEU 5 -1.831 -2.742 3.482
42 2HD2 LEU 5 2HD2 LEU 5 -3.423 -1.961 3.327
43 3HD2 LEU 5 3HD2 LEU 5 -2.471 -2.336 1.871
44 H TYR 6 H TYR 6 0.045 2.119 4.810
45 HA TYR 6 HA TYR 6 0.665 0.781 7.275
46 1HB TYR 6 1HB TYR 6 -0.491 3.453 6.310
47 2HB TYR 6 2HB TYR 6 -0.471 3.085 8.023
48 HD1 TYR 6 HD1 TYR 6 1.914 2.278 8.945
49 HD2 TYR 6 HD2 TYR 6 1.308 4.620 5.416
50 HE1 TYR 6 HE1 TYR 6 4.303 3.134 9.094
51 HE2 TYR 6 HE2 TYR 6 3.699 5.468 5.577
52 HH TYR 6 HH TYR 6 5.677 5.099 6.526
53 H GLN 7 H GLN 7 -0.737 -0.124 8.752
54 HA GLN 7 HA GLN 7 -3.565 0.108 8.088
55 1HB GLN 7 1HB GLN 7 -3.881 -2.266 8.687
56 2HB GLN 7 2HB GLN 7 -2.751 -2.105 7.357
57 1HG GLN 7 1HG GLN 7 -0.845 -2.237 9.029
58 2HG GLN 7 2HG GLN 7 -2.023 -2.536 10.292
59 1HE2 GLN 7 1HE2 GLN 7 0.151 -4.200 9.281
60 2HE2 GLN 7 2HE2 GLN 7 -0.540 -5.706 8.777
61 H ARG 8 H ARG 8 -4.953 -0.706 10.086
62 HA ARG 8 HA ARG 8 -3.597 0.263 12.474
63 1HB ARG 8 1HB ARG 8 -5.804 1.192 13.209
64 2HB ARG 8 2HB ARG 8 -5.262 1.918 11.709
65 1HG ARG 8 1HG ARG 8 -6.777 0.562 10.391
66 2HG ARG 8 2HG ARG 8 -7.133 -0.487 11.749
67 1HD ARG 8 1HD ARG 8 -8.442 1.174 12.856
68 2HD ARG 8 2HD ARG 8 -7.737 2.484 11.930
69 HE ARG 8 HE ARG 8 -8.991 0.795 10.049
70 1HH1 ARG 8 2HH2 ARG 8 -9.953 2.755 12.808
71 2HH1 ARG 8 1HH2 ARG 8 -11.544 3.062 12.198
72 1HH2 ARG 8 2HH1 ARG 8 -11.090 1.201 9.242
73 2HH2 ARG 8 1HH1 ARG 8 -12.195 2.172 10.156
74 H ASP 9 H ASP 9 -5.321 -0.380 14.478
75 HA ASP 9 HA ASP 9 -5.005 -3.082 14.760
76 1HB ASP 9 1HB ASP 9 -5.332 -1.702 16.706
77 2HB ASP 9 2HB ASP 9 -6.846 -1.064 16.097
78 H ASP 10 H ASP 10 -7.982 -1.117 14.011
79 HA ASP 10 HA ASP 10 -9.662 -3.311 13.762
80 1HB ASP 10 1HB ASP 10 -10.026 -0.626 13.847
81 2HB ASP 10 2HB ASP 10 -10.137 -0.838 12.111
82 H CYS 11 H CYS 11 -10.970 -3.068 11.269
83 HA CYS 11 HA CYS 11 -9.075 -3.033 9.145
84 1HB CYS 11 1HB CYS 11 -9.168 -5.331 8.474
85 2HB CYS 11 2HB CYS 11 -8.626 -5.282 10.139
86 HG CYS 11 HG CYS 11 -11.323 -5.370 10.958
87 H HIS 12 H HIS 12 -10.236 -2.207 7.433
88 HA HIS 12 HA HIS 12 -12.687 -3.182 6.617
89 1HB HIS 12 1HB HIS 12 -13.177 -1.854 8.884
90 2HB HIS 12 2HB HIS 12 -13.189 -0.483 7.793
91 HD1 HIS 12 HD1 HIS 12 -14.520 -2.106 5.342
92 HD2 HIS 12 HD2 HIS 12 -15.938 -1.902 9.285
93 HE1 HIS 12 HE1 HIS 12 -17.019 -2.612 5.231
94 H LEU 13 H LEU 13 -10.997 0.014 7.021
95 HA LEU 13 HA LEU 13 -11.533 0.701 4.300
96 1HB LEU 13 1HB LEU 13 -11.293 2.213 6.382
97 2HB LEU 13 2HB LEU 13 -9.568 2.069 6.114
98 HG LEU 13 HG LEU 13 -9.875 2.985 3.817
99 1HD1 LEU 13 1HD1 LEU 13 -12.749 3.235 4.719
100 2HD1 LEU 13 2HD1 LEU 13 -12.059 4.196 3.388
101 3HD1 LEU 13 3HD1 LEU 13 -12.105 2.420 3.273
102 1HD2 LEU 13 1HD2 LEU 13 -9.720 4.315 6.219
103 2HD2 LEU 13 2HD2 LEU 13 -9.501 5.040 4.608
104 3HD2 LEU 13 3HD2 LEU 13 -11.086 5.123 5.414
105 H CYS 14 H CYS 14 -8.847 -0.724 6.178
106 HA CYS 14 HA CYS 14 -6.938 -0.447 4.128
107 1HB CYS 14 1HB CYS 14 -6.974 -2.445 6.413
108 2HB CYS 14 2HB CYS 14 -5.583 -1.991 5.449
109 HG CYS 14 HG CYS 14 -6.929 -0.670 7.985
110 H ASP 15 H ASP 15 -9.596 -2.668 4.848
111 HA ASP 15 HA ASP 15 -8.712 -4.879 3.466
112 1HB ASP 15 1HB ASP 15 -11.561 -3.814 3.758
113 2HB ASP 15 2HB ASP 15 -11.149 -5.453 3.294
114 H GLN 16 H GLN 16 -10.979 -2.203 2.448
115 HA GLN 16 HA GLN 16 -11.173 -3.040 -0.182
116 1HB GLN 16 1HB GLN 16 -11.756 -0.499 1.319
117 2HB GLN 16 2HB GLN 16 -11.742 -0.420 -0.432
118 1HG GLN 16 1HG GLN 16 -13.219 -2.718 -0.037
119 2HG GLN 16 2HG GLN 16 -13.661 -1.800 1.389
120 1HE2 GLN 16 1HE2 GLN 16 -14.840 0.051 1.232
121 2HE2 GLN 16 2HE2 GLN 16 -15.597 0.608 -0.224
122 H ALA 17 H ALA 17 -8.638 -1.363 1.555
123 HA ALA 17 HA ALA 17 -7.498 -0.059 -0.701
124 1HB ALA 17 1HB ALA 17 -5.571 0.241 0.871
125 2HB ALA 17 2HB ALA 17 -7.127 0.759 1.561
126 3HB ALA 17 3HB ALA 17 -6.414 -0.798 2.046
127 H VAL 18 H VAL 18 -6.772 -3.096 1.147
128 HA VAL 18 HA VAL 18 -4.593 -3.870 -0.381
129 HB VAL 18 HB VAL 18 -6.657 -5.499 1.113
130 1HG1 VAL 18 1HG1 VAL 18 -5.298 -6.790 -0.588
131 2HG1 VAL 18 2HG1 VAL 18 -3.850 -6.358 0.354
132 3HG1 VAL 18 3HG1 VAL 18 -5.136 -7.339 1.098
133 1HG2 VAL 18 1HG2 VAL 18 -5.694 -4.753 2.979
134 2HG2 VAL 18 2HG2 VAL 18 -4.111 -5.344 2.419
135 3HG2 VAL 18 3HG2 VAL 18 -4.642 -3.695 2.009
136 H GLU 19 H GLU 19 -8.119 -4.217 -0.907
137 HA GLU 19 HA GLU 19 -7.974 -6.073 -2.941
138 1HB GLU 19 1HB GLU 19 -9.973 -4.559 -1.646
139 2HB GLU 19 2HB GLU 19 -10.117 -4.111 -3.333
140 1HG GLU 19 1HG GLU 19 -10.755 -6.239 -3.998
141 2HG GLU 19 2HG GLU 19 -9.754 -7.035 -2.800
142 H ALA 20 H ALA 20 -8.036 -2.445 -3.063
143 HA ALA 20 HA ALA 20 -7.967 -2.190 -5.815
144 1HB ALA 20 1HB ALA 20 -6.504 -0.315 -3.951
145 2HB ALA 20 2HB ALA 20 -7.487 0.065 -5.386
146 3HB ALA 20 3HB ALA 20 -8.276 -0.459 -3.879
147 H LEU 21 H LEU 21 -5.329 -2.693 -3.415
148 HA LEU 21 HA LEU 21 -3.206 -2.281 -5.166
149 1HB LEU 21 1HB LEU 21 -3.658 -3.377 -2.501
150 2HB LEU 21 2HB LEU 21 -2.353 -4.186 -3.344
151 HG LEU 21 HG LEU 21 -2.386 -1.191 -3.324
152 1HD1 LEU 21 1HD1 LEU 21 -2.852 -2.202 -0.958
153 2HD1 LEU 21 2HD1 LEU 21 -1.126 -2.633 -1.014
154 3HD1 LEU 21 3HD1 LEU 21 -1.624 -0.930 -1.165
155 1HD2 LEU 21 1HD2 LEU 21 0.157 -1.833 -2.950
156 2HD2 LEU 21 2HD2 LEU 21 -0.384 -3.386 -3.631
157 3HD2 LEU 21 3HD2 LEU 21 -0.598 -1.884 -4.562
158 H ALA 22 H ALA 22 -4.761 -5.401 -4.128
159 HA ALA 22 HA ALA 22 -3.321 -7.022 -5.842
160 1HB ALA 22 1HB ALA 22 -5.422 -7.249 -3.972
161 2HB ALA 22 2HB ALA 22 -6.063 -7.925 -5.489
162 3HB ALA 22 3HB ALA 22 -4.561 -8.575 -4.790
163 H GLN 23 H GLN 23 -6.428 -5.239 -6.343
164 HA GLN 23 HA GLN 23 -6.986 -6.274 -8.823
165 1HB GLN 23 1HB GLN 23 -7.689 -3.725 -7.375
166 2HB GLN 23 2HB GLN 23 -8.111 -3.858 -9.071
167 1HG GLN 23 1HG GLN 23 -8.879 -6.343 -7.936
168 2HG GLN 23 2HG GLN 23 -9.354 -5.143 -6.750
169 1HE2 GLN 23 1HE2 GLN 23 -11.526 -5.557 -7.167
170 2HE2 GLN 23 2HE2 GLN 23 -12.345 -4.953 -8.568
171 H ALA 24 H ALA 24 -4.938 -3.469 -7.851
172 HA ALA 24 HA ALA 24 -4.387 -2.756 -10.568
173 1HB ALA 24 1HB ALA 24 -2.681 -1.853 -8.275
174 2HB ALA 24 2HB ALA 24 -3.344 -0.923 -9.640
175 3HB ALA 24 3HB ALA 24 -4.394 -1.371 -8.275
176 H ARG 25 H ARG 25 -3.555 -5.413 -8.750
177 HA ARG 25 HA ARG 25 -1.932 -6.848 -8.738
178 1HB ARG 25 1HB ARG 25 -1.496 -5.770 -11.568
179 2HB ARG 25 2HB ARG 25 -0.762 -7.245 -10.972
180 1HG ARG 25 1HG ARG 25 -2.762 -8.424 -10.988
181 2HG ARG 25 2HG ARG 25 -3.728 -7.014 -10.599
182 1HD ARG 25 1HD ARG 25 -2.848 -6.264 -13.072
183 2HD ARG 25 2HD ARG 25 -2.801 -8.003 -13.278
184 HE ARG 25 HE ARG 25 -5.294 -7.248 -12.047
185 1HH1 ARG 25 2HH2 ARG 25 -3.619 -7.150 -15.141
186 2HH1 ARG 25 1HH2 ARG 25 -5.078 -7.151 -16.075
187 1HH2 ARG 25 2HH1 ARG 25 -7.218 -7.250 -13.280
188 2HH2 ARG 25 1HH1 ARG 25 -7.139 -7.208 -15.009
189 H ALA 26 H ALA 26 -1.214 -4.377 -7.516
190 HA ALA 26 HA ALA 26 1.083 -3.162 -8.380
191 1HB ALA 26 1HB ALA 26 0.241 -3.816 -5.527
192 2HB ALA 26 2HB ALA 26 1.383 -2.540 -6.016
193 3HB ALA 26 3HB ALA 26 -0.331 -2.429 -6.485
194 H GLY 27 H GLY 27 0.858 -5.927 -6.021
195 1HA GLY 27 1HA GLY 27 2.431 -7.787 -6.814
196 2HA GLY 27 2HA GLY 27 3.668 -6.556 -6.650
197 H ALA 28 H ALA 28 4.830 -7.394 -4.903
198 HA ALA 28 HA ALA 28 3.309 -8.032 -2.492
199 1HB ALA 28 1HB ALA 28 5.237 -9.246 -1.803
200 2HB ALA 28 2HB ALA 28 5.058 -9.594 -3.540
201 3HB ALA 28 3HB ALA 28 6.277 -8.420 -2.989
202 H PHE 29 H PHE 29 4.022 -7.136 -0.405
203 HA PHE 29 HA PHE 29 5.834 -4.943 -0.406
204 1HB PHE 29 1HB PHE 29 3.961 -3.323 0.320
205 2HB PHE 29 2HB PHE 29 3.899 -3.779 -1.371
206 HD1 PHE 29 HD1 PHE 29 2.058 -5.018 -2.247
207 HD2 PHE 29 HD2 PHE 29 2.361 -4.341 1.931
208 HE1 PHE 29 HE1 PHE 29 -0.307 -5.803 -1.949
209 HE2 PHE 29 HE2 PHE 29 -0.004 -5.127 2.230
210 HZ PHE 29 HZ PHE 29 -1.310 -5.848 0.286
211 H PHE 30 H PHE 30 5.423 -3.683 1.882
212 HA PHE 30 HA PHE 30 5.037 -5.847 3.828
213 1HB PHE 30 1HB PHE 30 6.737 -3.280 3.847
214 2HB PHE 30 2HB PHE 30 6.657 -4.405 5.188
215 HD1 PHE 30 HD1 PHE 30 7.935 -6.416 5.186
216 HD2 PHE 30 HD2 PHE 30 7.802 -3.989 1.707
217 HE1 PHE 30 HE1 PHE 30 9.833 -7.728 4.198
218 HE2 PHE 30 HE2 PHE 30 9.700 -5.301 0.720
219 HZ PHE 30 HZ PHE 30 10.693 -7.154 1.977
220 H SER 31 H SER 31 3.686 -5.508 5.592
221 HA SER 31 HA SER 31 2.220 -3.000 5.478
222 1HB SER 31 1HB SER 31 1.532 -5.813 6.263
223 2HB SER 31 2HB SER 31 0.724 -4.533 7.147
224 HG SER 31 HG SER 31 -0.607 -4.830 5.415
225 H VAL 32 H VAL 32 2.199 -1.595 7.249
226 HA VAL 32 HA VAL 32 3.637 -2.539 9.632
227 HB VAL 32 HB VAL 32 3.720 0.181 8.312
228 1HG1 VAL 32 1HG1 VAL 32 3.807 -0.031 10.924
229 2HG1 VAL 32 2HG1 VAL 32 5.457 -0.630 10.630
230 3HG1 VAL 32 3HG1 VAL 32 4.988 0.995 10.075
231 1HG2 VAL 32 1HG2 VAL 32 6.265 -0.524 8.307
232 2HG2 VAL 32 2HG2 VAL 32 5.586 -2.169 8.349
233 3HG2 VAL 32 3HG2 VAL 32 5.165 -1.065 7.017
234 H PHE 33 H PHE 33 2.464 -2.459 11.482
235 HA PHE 33 HA PHE 33 -0.161 -1.286 11.338
236 1HB PHE 33 1HB PHE 33 1.427 -2.673 13.582
237 2HB PHE 33 2HB PHE 33 -0.300 -2.377 13.621
238 HD1 PHE 33 HD1 PHE 33 -1.827 -3.738 12.322
239 HD2 PHE 33 HD2 PHE 33 2.359 -4.414 12.142
240 HE1 PHE 33 HE1 PHE 33 -2.233 -5.960 11.228
241 HE2 PHE 33 HE2 PHE 33 1.953 -6.636 11.048
242 HZ PHE 33 HZ PHE 33 -0.338 -7.383 10.604
243 H ILE 34 H ILE 34 -0.732 0.704 12.088
244 HA ILE 34 HA ILE 34 1.311 2.321 13.295
245 HB ILE 34 HB ILE 34 -0.223 4.122 13.022
246 1HG1 ILE 34 1HG1 ILE 34 -2.432 2.405 11.975
247 2HG1 ILE 34 2HG1 ILE 34 -2.218 2.480 13.713
248 1HG2 ILE 34 1HG2 ILE 34 -0.933 2.793 10.509
249 2HG2 ILE 34 2HG2 ILE 34 0.068 4.234 10.810
250 3HG2 ILE 34 3HG2 ILE 34 0.781 2.609 10.954
251 1HD1 ILE 34 1HD1 ILE 34 -3.782 4.242 12.677
252 2HD1 ILE 34 2HD1 ILE 34 -2.516 4.862 13.764
253 3HD1 ILE 34 3HD1 ILE 34 -2.318 4.995 12.000
254 H ASP 35 H ASP 35 -1.091 0.106 14.372
255 HA ASP 35 HA ASP 35 -2.059 1.273 16.619
256 1HB ASP 35 1HB ASP 35 -2.727 -0.965 15.756
257 2HB ASP 35 2HB ASP 35 -1.167 -1.621 16.212
258 H ASP 36 H ASP 36 -1.275 1.488 18.803
259 HA ASP 36 HA ASP 36 0.118 1.325 20.501
260 1HB ASP 36 1HB ASP 36 1.048 -0.807 19.074
261 2HB ASP 36 2HB ASP 36 2.446 0.241 18.943
262 H ASP 37 H ASP 37 1.850 1.835 17.334
263 HA ASP 37 HA ASP 37 3.632 3.709 18.357
264 1HB ASP 37 1HB ASP 37 2.756 2.735 15.674
265 2HB ASP 37 2HB ASP 37 3.438 4.349 15.677
266 H ALA 38 H ALA 38 2.676 5.517 19.399
267 HA ALA 38 HA ALA 38 0.300 6.725 18.474
268 1HB ALA 38 1HB ALA 38 1.583 8.597 20.061
269 2HB ALA 38 2HB ALA 38 0.525 7.294 20.653
270 3HB ALA 38 3HB ALA 38 2.289 7.063 20.623
271 H ALA 39 H ALA 39 3.759 7.123 17.764
272 HA ALA 39 HA ALA 39 3.620 9.693 16.664
273 1HB ALA 39 1HB ALA 39 5.473 7.328 16.191
274 2HB ALA 39 2HB ALA 39 5.755 8.957 15.530
275 3HB ALA 39 3HB ALA 39 5.731 8.703 17.292
276 H LEU 40 H LEU 40 3.336 6.392 15.192
277 HA LEU 40 HA LEU 40 2.891 7.417 12.592
278 1HB LEU 40 1HB LEU 40 2.230 4.695 13.723
279 2HB LEU 40 2HB LEU 40 2.350 5.122 12.027
280 HG LEU 40 HG LEU 40 4.667 5.288 13.971
281 1HD1 LEU 40 1HD1 LEU 40 3.650 2.956 13.552
282 2HD1 LEU 40 2HD1 LEU 40 4.321 3.118 11.911
283 3HD1 LEU 40 3HD1 LEU 40 5.402 3.174 13.324
284 1HD2 LEU 40 1HD2 LEU 40 4.527 6.651 11.722
285 2HD2 LEU 40 2HD2 LEU 40 6.030 5.834 12.213
286 3HD2 LEU 40 3HD2 LEU 40 4.963 5.084 11.001
287 H GLU 41 H GLU 41 0.849 6.665 15.408
288 HA GLU 41 HA GLU 41 -1.562 6.601 14.016
289 1HB GLU 41 1HB GLU 41 -0.844 7.172 16.914
290 2HB GLU 41 2HB GLU 41 -2.508 7.175 16.364
291 1HG GLU 41 1HG GLU 41 -1.071 4.800 15.396
292 2HG GLU 41 2HG GLU 41 -0.994 4.921 17.142
293 H SER 42 H SER 42 0.222 9.253 15.714
294 HA SER 42 HA SER 42 -1.785 11.148 15.152
295 1HB SER 42 1HB SER 42 0.536 11.009 16.753
296 2HB SER 42 2HB SER 42 0.887 12.277 15.596
297 HG SER 42 HG SER 42 -1.587 12.812 16.307
298 H ALA 43 H ALA 43 1.054 9.867 13.470
299 HA ALA 43 HA ALA 43 1.360 12.048 11.677
300 1HB ALA 43 1HB ALA 43 2.493 9.351 12.135
301 2HB ALA 43 2HB ALA 43 2.479 9.869 10.432
302 3HB ALA 43 3HB ALA 43 3.298 10.865 11.659
303 H TYR 44 H TYR 44 -0.373 8.882 11.628
304 HA TYR 44 HA TYR 44 -1.656 9.773 9.134
305 1HB TYR 44 1HB TYR 44 -1.186 7.011 10.422
306 2HB TYR 44 2HB TYR 44 -2.016 7.245 8.896
307 HD1 TYR 44 HD1 TYR 44 0.945 6.148 10.181
308 HD2 TYR 44 HD2 TYR 44 -0.478 8.941 7.269
309 HE1 TYR 44 HE1 TYR 44 3.161 6.000 8.945
310 HE2 TYR 44 HE2 TYR 44 1.744 8.784 6.043
311 HH TYR 44 HH TYR 44 4.081 8.222 6.622
312 H GLY 45 H GLY 45 -2.338 7.499 11.893
313 1HA GLY 45 1HA GLY 45 -4.185 7.195 13.134
314 2HA GLY 45 2HA GLY 45 -4.523 8.901 12.916
315 H LEU 46 H LEU 46 -5.765 9.612 11.002
316 HA LEU 46 HA LEU 46 -7.768 7.648 10.346
317 1HB LEU 46 1HB LEU 46 -7.515 10.548 10.404
318 2HB LEU 46 2HB LEU 46 -8.304 9.984 8.944
319 HG LEU 46 HG LEU 46 -9.933 10.526 10.664
320 1HD1 LEU 46 1HD1 LEU 46 -11.268 8.920 9.907
321 2HD1 LEU 46 2HD1 LEU 46 -9.831 8.155 9.186
322 3HD1 LEU 46 3HD1 LEU 46 -10.380 7.667 10.808
323 1HD2 LEU 46 1HD2 LEU 46 -8.424 10.052 12.605
324 2HD2 LEU 46 2HD2 LEU 46 -10.079 9.420 12.777
325 3HD2 LEU 46 3HD2 LEU 46 -8.744 8.318 12.360
326 H ARG 47 H ARG 47 -4.874 9.082 8.939
327 HA ARG 47 HA ARG 47 -5.636 8.208 6.316
328 1HB ARG 47 1HB ARG 47 -3.117 9.555 7.407
329 2HB ARG 47 2HB ARG 47 -3.305 9.112 5.722
330 1HG ARG 47 1HG ARG 47 -4.424 11.045 5.347
331 2HG ARG 47 2HG ARG 47 -5.690 10.515 6.437
332 1HD ARG 47 1HD ARG 47 -4.936 11.832 8.174
333 2HD ARG 47 2HD ARG 47 -3.249 11.529 7.812
334 HE ARG 47 HE ARG 47 -4.151 13.105 5.683
335 1HH1 ARG 47 2HH2 ARG 47 -4.014 13.445 9.183
336 2HH1 ARG 47 1HH2 ARG 47 -3.871 15.170 9.138
337 1HH2 ARG 47 2HH1 ARG 47 -3.962 15.381 5.623
338 2HH2 ARG 47 1HH1 ARG 47 -3.841 16.279 7.099
339 H VAL 48 H VAL 48 -5.449 6.126 8.326
340 HA VAL 48 HA VAL 48 -2.985 4.863 8.432
341 HB VAL 48 HB VAL 48 -5.809 4.224 8.932
342 1HG1 VAL 48 1HG1 VAL 48 -5.543 2.319 7.588
343 2HG1 VAL 48 2HG1 VAL 48 -3.854 2.079 8.097
344 3HG1 VAL 48 3HG1 VAL 48 -5.183 1.739 9.232
345 1HG2 VAL 48 1HG2 VAL 48 -3.506 4.699 10.419
346 2HG2 VAL 48 2HG2 VAL 48 -5.066 4.106 11.041
347 3HG2 VAL 48 3HG2 VAL 48 -3.783 2.950 10.608
348 HA PRO 49 HA PRO 49 -4.329 2.667 4.461
349 1HB PRO 49 1HB PRO 49 -6.465 3.607 3.038
350 2HB PRO 49 2HB PRO 49 -6.582 2.283 4.180
351 1HG PRO 49 1HG PRO 49 -7.483 5.081 4.488
352 2HG PRO 49 2HG PRO 49 -7.956 3.668 5.410
353 1HD PRO 49 1HD PRO 49 -6.141 5.728 6.239
354 2HD PRO 49 2HD PRO 49 -6.525 4.257 7.110
355 H VAL 50 H VAL 50 -2.277 3.921 4.324
356 HA VAL 50 HA VAL 50 -2.574 5.768 2.057
357 HB VAL 50 HB VAL 50 -0.965 5.966 4.581
358 1HG1 VAL 50 1HG1 VAL 50 0.721 6.170 2.865
359 2HG1 VAL 50 2HG1 VAL 50 -0.298 7.291 1.932
360 3HG1 VAL 50 3HG1 VAL 50 0.364 7.791 3.508
361 1HG2 VAL 50 1HG2 VAL 50 -1.864 8.180 4.698
362 2HG2 VAL 50 2HG2 VAL 50 -2.471 8.091 3.027
363 3HG2 VAL 50 3HG2 VAL 50 -3.210 7.086 4.297
364 H LEU 51 H LEU 51 -1.513 5.139 0.245
365 HA LEU 51 HA LEU 51 0.304 2.877 0.519
366 1HB LEU 51 1HB LEU 51 -1.691 2.898 -1.041
367 2HB LEU 51 2HB LEU 51 -0.828 4.082 -2.003
368 HG LEU 51 HG LEU 51 0.516 2.546 -2.940
369 1HD1 LEU 51 1HD1 LEU 51 1.846 2.201 -0.948
370 2HD1 LEU 51 2HD1 LEU 51 0.631 1.078 -0.291
371 3HD1 LEU 51 3HD1 LEU 51 1.549 0.640 -1.752
372 1HD2 LEU 51 1HD2 LEU 51 -1.232 1.319 -3.644
373 2HD2 LEU 51 2HD2 LEU 51 -0.569 0.092 -2.537
374 3HD2 LEU 51 3HD2 LEU 51 -1.908 1.139 -2.007
375 H ARG 52 H ARG 52 2.433 3.282 0.729
376 HA ARG 52 HA ARG 52 3.388 5.712 -0.558
377 1HB ARG 52 1HB ARG 52 5.133 5.828 1.164
378 2HB ARG 52 2HB ARG 52 3.576 5.678 1.955
379 1HG ARG 52 1HG ARG 52 4.177 3.719 2.935
380 2HG ARG 52 2HG ARG 52 4.645 3.024 1.396
381 1HD ARG 52 1HD ARG 52 6.867 3.399 1.778
382 2HD ARG 52 2HD ARG 52 6.586 5.046 2.307
383 HE ARG 52 HE ARG 52 5.680 3.136 4.299
384 1HH1 ARG 52 2HH2 ARG 52 8.554 4.712 3.018
385 2HH1 ARG 52 1HH2 ARG 52 9.455 4.549 4.489
386 1HH2 ARG 52 2HH1 ARG 52 6.868 2.921 6.240
387 2HH2 ARG 52 1HH1 ARG 52 8.489 3.523 6.333
388 H ASP 53 H ASP 53 5.812 5.551 -1.225
389 HA ASP 53 HA ASP 53 6.318 2.828 -2.140
390 1HB ASP 53 1HB ASP 53 6.194 5.391 -3.580
391 2HB ASP 53 2HB ASP 53 7.738 4.600 -3.825
392 HA PRO 54 HA PRO 54 10.355 3.404 -0.514
393 1HB PRO 54 1HB PRO 54 12.046 2.260 -2.331
394 2HB PRO 54 2HB PRO 54 11.091 1.331 -1.192
395 1HG PRO 54 1HG PRO 54 10.665 1.710 -4.093
396 2HG PRO 54 2HG PRO 54 10.001 0.479 -3.038
397 1HD PRO 54 1HD PRO 54 8.637 2.791 -4.047
398 2HD PRO 54 2HD PRO 54 8.011 1.622 -2.900
399 H MET 55 H MET 55 9.873 4.670 -3.684
400 HA MET 55 HA MET 55 12.256 6.080 -3.840
401 1HB MET 55 1HB MET 55 9.608 5.994 -5.184
402 2HB MET 55 2HB MET 55 10.312 7.598 -5.214
403 1HG MET 55 1HG MET 55 12.126 5.296 -5.908
404 2HG MET 55 2HG MET 55 10.898 5.725 -7.082
405 1HE MET 55 1HE MET 55 11.899 8.966 -8.558
406 2HE MET 55 2HE MET 55 11.767 7.257 -9.040
407 3HE MET 55 3HE MET 55 10.507 7.995 -8.021
408 H GLY 56 H GLY 56 8.963 7.072 -2.682
409 1HA GLY 56 1HA GLY 56 9.248 8.435 -0.547
410 2HA GLY 56 2HA GLY 56 10.175 9.519 -1.565
411 H ARG 57 H ARG 57 7.170 7.621 -2.299
412 HA ARG 57 HA ARG 57 5.790 10.160 -2.526
413 1HB ARG 57 1HB ARG 57 5.562 7.927 -4.604
414 2HB ARG 57 2HB ARG 57 4.782 9.495 -4.675
415 1HG ARG 57 1HG ARG 57 7.484 10.159 -4.340
416 2HG ARG 57 2HG ARG 57 7.556 8.745 -5.374
417 1HD ARG 57 1HD ARG 57 5.694 9.921 -6.792
418 2HD ARG 57 2HD ARG 57 6.108 11.371 -5.898
419 HE ARG 57 HE ARG 57 7.768 10.021 -7.917
420 1HH1 ARG 57 2HH2 ARG 57 7.710 12.334 -5.266
421 2HH1 ARG 57 1HH2 ARG 57 9.158 13.141 -5.769
422 1HH2 ARG 57 2HH1 ARG 57 9.678 11.085 -8.582
423 2HH2 ARG 57 1HH1 ARG 57 10.285 12.426 -7.668
424 H GLU 58 H GLU 58 3.334 9.843 -2.566
425 HA GLU 58 HA GLU 58 2.555 7.261 -1.505
426 1HB GLU 58 1HB GLU 58 1.043 8.717 0.133
427 2HB GLU 58 2HB GLU 58 2.685 8.287 0.569
428 1HG GLU 58 1HG GLU 58 2.470 10.647 0.999
429 2HG GLU 58 2HG GLU 58 3.455 10.499 -0.443
430 H LEU 59 H LEU 59 0.067 7.058 -1.459
431 HA LEU 59 HA LEU 59 -1.105 8.755 -3.546
432 1HB LEU 59 1HB LEU 59 -0.337 6.477 -4.344
433 2HB LEU 59 2HB LEU 59 -1.565 5.785 -3.303
434 HG LEU 59 HG LEU 59 -3.313 7.018 -4.548
435 1HD1 LEU 59 1HD1 LEU 59 -2.137 8.943 -5.325
436 2HD1 LEU 59 2HD1 LEU 59 -0.983 7.945 -6.242
437 3HD1 LEU 59 3HD1 LEU 59 -2.686 8.033 -6.753
438 1HD2 LEU 59 1HD2 LEU 59 -2.290 5.737 -6.865
439 2HD2 LEU 59 2HD2 LEU 59 -1.751 4.800 -5.452
440 3HD2 LEU 59 3HD2 LEU 59 -3.484 5.129 -5.693
441 H ASP 60 H ASP 60 -3.352 9.201 -3.312
442 HA ASP 60 HA ASP 60 -4.168 9.524 -0.722
443 1HB ASP 60 1HB ASP 60 -6.182 9.161 -2.953
444 2HB ASP 60 2HB ASP 60 -6.209 10.318 -1.637
445 H TRP 61 H TRP 61 -5.924 8.417 0.501
446 HA TRP 61 HA TRP 61 -5.735 5.665 0.523
447 1HB TRP 61 1HB TRP 61 -6.604 6.217 2.485
448 2HB TRP 61 2HB TRP 61 -7.251 7.728 1.879
449 HD1 TRP 61 HD1 TRP 61 -9.786 7.722 2.509
450 HE1 TRP 61 HE1 TRP 61 -11.858 6.095 2.355
451 HE3 TRP 61 HE3 TRP 61 -7.186 3.732 0.726
452 HZ2 TRP 61 HZ2 TRP 61 -12.170 3.383 1.522
453 HZ3 TRP 61 HZ3 TRP 61 -8.451 1.633 0.269
454 HH2 TRP 61 HH2 TRP 61 -10.857 1.420 0.639
455 HA PRO 62 HA PRO 62 -9.696 5.681 -2.080
456 1HB PRO 62 1HB PRO 62 -10.689 8.023 -3.078
457 2HB PRO 62 2HB PRO 62 -11.259 7.299 -1.587
458 1HG PRO 62 1HG PRO 62 -9.499 9.646 -1.954
459 2HG PRO 62 2HG PRO 62 -10.410 9.168 -0.535
460 1HD PRO 62 1HD PRO 62 -7.589 8.857 -0.947
461 2HD PRO 62 2HD PRO 62 -8.519 8.276 0.419
462 H PHE 63 H PHE 63 -9.005 4.546 -3.774
463 HA PHE 63 HA PHE 63 -8.150 6.132 -6.034
464 1HB PHE 63 1HB PHE 63 -6.185 4.266 -6.110
465 2HB PHE 63 2HB PHE 63 -5.960 5.759 -5.221
466 HD1 PHE 63 HD1 PHE 63 -4.480 5.060 -3.538
467 HD2 PHE 63 HD2 PHE 63 -8.062 2.880 -4.192
468 HE1 PHE 63 HE1 PHE 63 -4.066 3.747 -1.438
469 HE2 PHE 63 HE2 PHE 63 -7.648 1.568 -2.093
470 HZ PHE 63 HZ PHE 63 -5.655 2.017 -0.741
471 H ASP 64 H ASP 64 -7.253 4.134 -7.724
472 HA ASP 64 HA ASP 64 -9.357 2.132 -7.588
473 1HB ASP 64 1HB ASP 64 -8.487 3.433 -10.196
474 2HB ASP 64 2HB ASP 64 -9.890 2.420 -9.922
475 H ALA 65 H ALA 65 -8.791 0.473 -9.622
476 HA ALA 65 HA ALA 65 -6.248 -0.586 -8.983
477 1HB ALA 65 1HB ALA 65 -7.074 -2.434 -10.011
478 2HB ALA 65 2HB ALA 65 -8.615 -1.544 -10.001
479 3HB ALA 65 3HB ALA 65 -7.585 -1.522 -11.452
480 HA PRO 66 HA PRO 66 -5.179 1.119 -13.269
481 1HB PRO 66 1HB PRO 66 -6.874 2.871 -14.505
482 2HB PRO 66 2HB PRO 66 -6.863 1.151 -14.839
483 1HG PRO 66 1HG PRO 66 -8.813 2.721 -13.268
484 2HG PRO 66 2HG PRO 66 -8.996 1.123 -13.963
485 1HD PRO 66 1HD PRO 66 -8.519 1.750 -11.205
486 2HD PRO 66 2HD PRO 66 -8.586 0.152 -11.921
487 H ARG 67 H ARG 67 -6.705 3.136 -10.948
488 HA ARG 67 HA ARG 67 -5.108 5.373 -11.693
489 1HB ARG 67 1HB ARG 67 -7.509 5.112 -10.382
490 2HB ARG 67 2HB ARG 67 -6.440 5.305 -9.007
491 1HG ARG 67 1HG ARG 67 -5.727 7.463 -9.688
492 2HG ARG 67 2HG ARG 67 -6.188 7.199 -11.358
493 1HD ARG 67 1HD ARG 67 -8.503 6.949 -9.558
494 2HD ARG 67 2HD ARG 67 -7.722 8.508 -9.381
495 HE ARG 67 HE ARG 67 -8.026 7.815 -12.182
496 1HH1 ARG 67 2HH2 ARG 67 -9.787 9.039 -9.392
497 2HH1 ARG 67 1HH2 ARG 67 -10.959 9.887 -10.343
498 1HH2 ARG 67 2HH1 ARG 67 -9.573 8.933 -13.438
499 2HH2 ARG 67 1HH1 ARG 67 -10.837 9.826 -12.660
500 H LEU 68 H LEU 68 -5.066 2.694 -9.341
501 HA LEU 68 HA LEU 68 -2.971 3.863 -7.765
502 1HB LEU 68 1HB LEU 68 -4.765 2.390 -6.871
503 2HB LEU 68 2HB LEU 68 -4.076 1.052 -7.769
504 HG LEU 68 HG LEU 68 -1.921 2.071 -6.306
505 1HD1 LEU 68 1HD1 LEU 68 -4.475 2.514 -4.869
506 2HD1 LEU 68 2HD1 LEU 68 -3.174 1.722 -3.947
507 3HD1 LEU 68 3HD1 LEU 68 -2.895 3.314 -4.693
508 1HD2 LEU 68 1HD2 LEU 68 -3.463 -0.192 -5.151
509 2HD2 LEU 68 2HD2 LEU 68 -2.947 -0.345 -6.848
510 3HD2 LEU 68 3HD2 LEU 68 -1.738 -0.065 -5.572
511 H ARG 69 H ARG 69 -3.315 1.563 -10.480
512 HA ARG 69 HA ARG 69 -0.673 0.650 -10.309
513 1HB ARG 69 1HB ARG 69 -2.399 -0.656 -11.477
514 2HB ARG 69 2HB ARG 69 -2.699 0.656 -12.600
515 1HG ARG 69 1HG ARG 69 -1.077 -0.131 -13.970
516 2HG ARG 69 2HG ARG 69 0.116 0.103 -12.708
517 1HD ARG 69 1HD ARG 69 -0.389 -2.140 -11.770
518 2HD ARG 69 2HD ARG 69 -1.661 -2.374 -12.953
519 HE ARG 69 HE ARG 69 -0.039 -2.925 -14.542
520 1HH1 ARG 69 2HH2 ARG 69 1.499 -1.168 -11.910
521 2HH1 ARG 69 1HH2 ARG 69 3.103 -1.409 -12.516
522 1HH2 ARG 69 2HH1 ARG 69 2.077 -3.243 -15.343
523 2HH2 ARG 69 1HH1 ARG 69 3.434 -2.597 -14.482
524 H ALA 70 H ALA 70 -2.379 3.093 -12.384
525 HA ALA 70 HA ALA 70 -0.244 3.813 -13.974
526 1HB ALA 70 1HB ALA 70 -1.534 5.804 -14.439
527 2HB ALA 70 2HB ALA 70 -2.674 4.456 -14.213
528 3HB ALA 70 3HB ALA 70 -2.429 5.643 -12.909
529 H TRP 71 H TRP 71 -0.981 4.566 -10.583
530 HA TRP 71 HA TRP 71 0.838 6.747 -10.407
531 1HB TRP 71 1HB TRP 71 -1.017 6.616 -8.900
532 2HB TRP 71 2HB TRP 71 -0.535 5.027 -8.341
533 HD1 TRP 71 HD1 TRP 71 0.857 8.673 -8.218
534 HE1 TRP 71 HE1 TRP 71 2.256 9.056 -6.013
535 HE3 TRP 71 HE3 TRP 71 0.531 3.880 -6.553
536 HZ2 TRP 71 HZ2 TRP 71 3.051 7.350 -3.868
537 HZ3 TRP 71 HZ3 TRP 71 1.646 3.322 -4.395
538 HH2 TRP 71 HH2 TRP 71 2.873 4.966 -3.065
539 H LEU 72 H LEU 72 0.892 3.200 -9.714
540 HA LEU 72 HA LEU 72 3.420 3.122 -8.561
541 1HB LEU 72 1HB LEU 72 1.870 1.055 -10.124
542 2HB LEU 72 2HB LEU 72 3.358 0.718 -9.260
543 HG LEU 72 HG LEU 72 0.956 1.892 -7.859
544 1HD1 LEU 72 1HD1 LEU 72 0.801 -0.698 -7.146
545 2HD1 LEU 72 2HD1 LEU 72 -0.136 0.014 -8.481
546 3HD1 LEU 72 3HD1 LEU 72 1.363 -0.882 -8.825
547 1HD2 LEU 72 1HD2 LEU 72 3.005 2.066 -6.618
548 2HD2 LEU 72 2HD2 LEU 72 2.001 0.792 -5.884
549 3HD2 LEU 72 3HD2 LEU 72 3.386 0.352 -6.912
550 H ASP 73 H ASP 73 2.386 2.682 -12.010
551 HA ASP 73 HA ASP 73 4.794 2.126 -13.077
552 1HB ASP 73 1HB ASP 73 2.371 2.520 -14.118
553 2HB ASP 73 2HB ASP 73 2.980 4.130 -14.446
554 H ALA 74 H ALA 74 3.406 5.279 -12.041
555 HA ALA 74 HA ALA 74 5.222 6.992 -13.237
556 1HB ALA 74 1HB ALA 74 3.021 7.183 -11.574
557 2HB ALA 74 2HB ALA 74 4.343 7.747 -10.524
558 3HB ALA 74 3HB ALA 74 4.044 8.547 -12.086
559 H ALA 75 H ALA 75 5.607 4.689 -10.622
560 HA ALA 75 HA ALA 75 8.255 5.850 -10.079
561 1HB ALA 75 1HB ALA 75 7.514 4.141 -7.953
562 2HB ALA 75 2HB ALA 75 7.607 5.919 -7.928
563 3HB ALA 75 3HB ALA 75 6.068 5.113 -8.317
564 HA PRO 76 HA PRO 76 9.917 2.020 -11.211
565 1HB PRO 76 1HB PRO 76 11.994 1.634 -9.476
566 2HB PRO 76 2HB PRO 76 12.083 2.715 -10.853
567 1HG PRO 76 1HG PRO 76 11.796 3.383 -7.988
568 2HG PRO 76 2HG PRO 76 12.307 4.414 -9.309
569 1HD PRO 76 1HD PRO 76 9.738 4.405 -8.034
570 2HD PRO 76 2HD PRO 76 10.212 5.353 -9.430
571 H HIS 77 H HIS 77 10.991 -0.182 -10.157
572 HA HIS 77 HA HIS 77 10.154 -2.130 -9.473
573 1HB HIS 77 1HB HIS 77 9.554 -1.092 -6.780
574 2HB HIS 77 2HB HIS 77 10.639 -2.373 -7.283
575 HD1 HIS 77 HD1 HIS 77 10.513 1.369 -6.751
576 HD2 HIS 77 HD2 HIS 77 13.316 -1.612 -7.673
577 HE1 HIS 77 HE1 HIS 77 12.811 2.456 -6.532
578 H ALA 78 H ALA 78 8.246 -2.415 -10.698
579 HA ALA 78 HA ALA 78 5.816 -2.027 -9.120
580 1HB ALA 78 1HB ALA 78 6.507 -0.376 -11.265
581 2HB ALA 78 2HB ALA 78 5.406 -1.575 -11.985
582 3HB ALA 78 3HB ALA 78 4.874 -0.603 -10.592
Start of MODEL 20
1 1H MET 1 1H MET 1 12.940 -4.069 0.543
2 HA MET 1 HA MET 1 13.115 -1.386 -0.529
3 1HB MET 1 1HB MET 1 14.727 -3.764 -1.342
4 2HB MET 1 2HB MET 1 13.931 -2.972 -2.687
5 1HG MET 1 1HG MET 1 15.870 -1.696 -2.620
6 2HG MET 1 2HG MET 1 14.894 -0.752 -1.513
7 1HE MET 1 1HE MET 1 16.655 0.340 -0.305
8 2HE MET 1 2HE MET 1 18.010 -0.410 0.571
9 3HE MET 1 3HE MET 1 18.012 -0.374 -1.209
10 H ALA 2 H ALA 2 10.739 -1.600 -0.183
11 HA ALA 2 HA ALA 2 9.476 -2.476 -2.570
12 1HB ALA 2 1HB ALA 2 9.824 -4.474 -0.650
13 2HB ALA 2 2HB ALA 2 8.167 -3.892 -0.362
14 3HB ALA 2 3HB ALA 2 8.635 -4.483 -1.974
15 H LEU 3 H LEU 3 6.878 -2.351 -2.030
16 HA LEU 3 HA LEU 3 6.496 0.327 -1.277
17 1HB LEU 3 1HB LEU 3 4.611 -1.965 -1.808
18 2HB LEU 3 2HB LEU 3 4.054 -0.351 -1.412
19 HG LEU 3 HG LEU 3 5.927 -0.827 -3.728
20 1HD1 LEU 3 1HD1 LEU 3 3.405 -1.999 -3.546
21 2HD1 LEU 3 2HD1 LEU 3 3.150 -0.532 -4.522
22 3HD1 LEU 3 3HD1 LEU 3 4.364 -1.734 -5.022
23 1HD2 LEU 3 1HD2 LEU 3 4.183 1.412 -2.773
24 2HD2 LEU 3 2HD2 LEU 3 5.855 1.441 -3.382
25 3HD2 LEU 3 3HD2 LEU 3 4.498 1.234 -4.516
26 H THR 4 H THR 4 4.492 0.727 0.390
27 HA THR 4 HA THR 4 4.682 -0.927 2.737
28 HB THR 4 HB THR 4 5.953 1.848 2.580
29 HG1 THR 4 HG1 THR 4 7.426 0.141 2.248
30 1HG2 THR 4 1HG2 THR 4 4.391 1.279 4.692
31 2HG2 THR 4 2HG2 THR 4 5.764 0.235 5.133
32 3HG2 THR 4 3HG2 THR 4 6.007 1.986 4.928
33 H LEU 5 H LEU 5 2.548 -1.222 3.008
34 HA LEU 5 HA LEU 5 0.888 1.198 2.892
35 1HB LEU 5 1HB LEU 5 0.139 -0.225 1.214
36 2HB LEU 5 2HB LEU 5 0.371 -1.668 2.181
37 HG LEU 5 HG LEU 5 -1.515 -0.532 3.688
38 1HD1 LEU 5 1HD1 LEU 5 -2.795 1.056 2.765
39 2HD1 LEU 5 2HD1 LEU 5 -1.402 1.340 1.694
40 3HD1 LEU 5 3HD1 LEU 5 -2.745 0.304 1.152
41 1HD2 LEU 5 1HD2 LEU 5 -2.366 -1.894 1.137
42 2HD2 LEU 5 2HD2 LEU 5 -1.461 -2.758 2.403
43 3HD2 LEU 5 3HD2 LEU 5 -3.047 -2.040 2.776
44 H TYR 6 H TYR 6 0.498 2.010 4.878
45 HA TYR 6 HA TYR 6 0.852 0.443 7.213
46 1HB TYR 6 1HB TYR 6 -0.321 3.173 6.440
47 2HB TYR 6 2HB TYR 6 -0.336 2.650 8.113
48 HD1 TYR 6 HD1 TYR 6 1.597 4.187 5.510
49 HD2 TYR 6 HD2 TYR 6 1.918 2.083 9.221
50 HE1 TYR 6 HE1 TYR 6 3.962 5.069 5.814
51 HE2 TYR 6 HE2 TYR 6 4.281 2.972 9.512
52 HH TYR 6 HH TYR 6 5.653 5.248 7.166
53 H GLN 7 H GLN 7 -0.620 -0.592 8.531
54 HA GLN 7 HA GLN 7 -3.378 -0.061 8.307
55 1HB GLN 7 1HB GLN 7 -4.133 -2.218 7.439
56 2HB GLN 7 2HB GLN 7 -3.078 -1.459 6.264
57 1HG GLN 7 1HG GLN 7 -1.161 -2.833 7.453
58 2HG GLN 7 2HG GLN 7 -2.473 -3.793 8.108
59 1HE2 GLN 7 1HE2 GLN 7 -3.393 -5.316 6.916
60 2HE2 GLN 7 2HE2 GLN 7 -3.097 -5.623 5.237
61 H ARG 8 H ARG 8 -4.530 -0.921 10.108
62 HA ARG 8 HA ARG 8 -2.774 -1.873 12.156
63 1HB ARG 8 1HB ARG 8 -4.740 -1.527 13.652
64 2HB ARG 8 2HB ARG 8 -4.427 -0.102 12.681
65 1HG ARG 8 1HG ARG 8 -6.314 -0.430 11.323
66 2HG ARG 8 2HG ARG 8 -6.334 -2.164 11.579
67 1HD ARG 8 1HD ARG 8 -8.101 -1.619 12.969
68 2HD ARG 8 2HD ARG 8 -6.809 -1.401 14.133
69 HE ARG 8 HE ARG 8 -7.292 1.024 12.595
70 1HH1 ARG 8 2HH2 ARG 8 -8.436 -0.868 15.333
71 2HH1 ARG 8 1HH2 ARG 8 -9.153 0.490 16.135
72 1HH2 ARG 8 2HH1 ARG 8 -8.238 2.815 13.653
73 2HH2 ARG 8 1HH1 ARG 8 -9.040 2.599 15.172
74 H ASP 9 H ASP 9 -4.269 -3.520 13.764
75 HA ASP 9 HA ASP 9 -4.097 -5.943 12.481
76 1HB ASP 9 1HB ASP 9 -5.589 -6.703 14.496
77 2HB ASP 9 2HB ASP 9 -4.000 -6.043 14.829
78 H ASP 10 H ASP 10 -5.377 -5.869 10.501
79 HA ASP 10 HA ASP 10 -7.133 -6.191 9.272
80 1HB ASP 10 1HB ASP 10 -7.731 -7.944 10.950
81 2HB ASP 10 2HB ASP 10 -8.587 -6.747 11.902
82 H CYS 11 H CYS 11 -9.034 -4.987 8.461
83 HA CYS 11 HA CYS 11 -10.462 -3.178 10.010
84 1HB CYS 11 1HB CYS 11 -7.932 -2.165 9.612
85 2HB CYS 11 2HB CYS 11 -8.813 -1.458 8.273
86 HG CYS 11 HG CYS 11 -9.488 0.361 9.656
87 H HIS 12 H HIS 12 -11.533 -1.462 8.296
88 HA HIS 12 HA HIS 12 -12.201 -3.123 5.991
89 1HB HIS 12 1HB HIS 12 -14.007 -2.472 7.581
90 2HB HIS 12 2HB HIS 12 -13.715 -0.789 7.192
91 HD1 HIS 12 HD1 HIS 12 -15.600 -3.739 6.086
92 HD2 HIS 12 HD2 HIS 12 -14.282 -0.148 4.365
93 HE1 HIS 12 HE1 HIS 12 -16.964 -3.426 3.952
94 H LEU 13 H LEU 13 -11.276 0.217 6.999
95 HA LEU 13 HA LEU 13 -11.288 1.317 4.437
96 1HB LEU 13 1HB LEU 13 -11.189 2.420 6.753
97 2HB LEU 13 2HB LEU 13 -9.458 2.158 6.671
98 HG LEU 13 HG LEU 13 -9.514 3.438 4.451
99 1HD1 LEU 13 1HD1 LEU 13 -12.004 3.236 4.190
100 2HD1 LEU 13 2HD1 LEU 13 -12.174 4.429 5.499
101 3HD1 LEU 13 3HD1 LEU 13 -11.353 4.880 3.985
102 1HD2 LEU 13 1HD2 LEU 13 -9.299 4.278 7.134
103 2HD2 LEU 13 2HD2 LEU 13 -8.645 5.067 5.678
104 3HD2 LEU 13 3HD2 LEU 13 -10.252 5.523 6.291
105 H CYS 14 H CYS 14 -8.831 -0.547 6.268
106 HA CYS 14 HA CYS 14 -6.806 -0.090 4.332
107 1HB CYS 14 1HB CYS 14 -5.451 -1.540 5.628
108 2HB CYS 14 2HB CYS 14 -6.420 -0.634 6.773
109 HG CYS 14 HG CYS 14 -6.257 -3.069 7.642
110 H ASP 15 H ASP 15 -9.315 -2.567 5.026
111 HA ASP 15 HA ASP 15 -8.440 -4.574 3.425
112 1HB ASP 15 1HB ASP 15 -10.752 -3.975 4.868
113 2HB ASP 15 2HB ASP 15 -11.356 -4.047 3.224
114 H GLN 16 H GLN 16 -10.718 -1.841 2.613
115 HA GLN 16 HA GLN 16 -11.021 -2.495 -0.042
116 1HB GLN 16 1HB GLN 16 -11.530 -0.140 1.689
117 2HB GLN 16 2HB GLN 16 -11.305 0.261 -0.002
118 1HG GLN 16 1HG GLN 16 -12.962 -2.016 -0.074
119 2HG GLN 16 2HG GLN 16 -13.557 -1.115 1.306
120 1HE2 GLN 16 1HE2 GLN 16 -13.702 1.321 0.920
121 2HE2 GLN 16 2HE2 GLN 16 -14.438 1.835 -0.562
122 H ALA 17 H ALA 17 -8.321 -1.080 1.675
123 HA ALA 17 HA ALA 17 -7.187 0.240 -0.590
124 1HB ALA 17 1HB ALA 17 -5.759 1.071 0.960
125 2HB ALA 17 2HB ALA 17 -6.859 0.336 2.151
126 3HB ALA 17 3HB ALA 17 -5.401 -0.540 1.627
127 H VAL 18 H VAL 18 -6.566 -2.850 1.208
128 HA VAL 18 HA VAL 18 -4.468 -3.698 -0.411
129 HB VAL 18 HB VAL 18 -6.510 -5.253 1.189
130 1HG1 VAL 18 1HG1 VAL 18 -3.923 -6.525 0.966
131 2HG1 VAL 18 2HG1 VAL 18 -5.536 -7.158 0.557
132 3HG1 VAL 18 3HG1 VAL 18 -4.610 -6.235 -0.650
133 1HG2 VAL 18 1HG2 VAL 18 -3.694 -4.742 2.086
134 2HG2 VAL 18 2HG2 VAL 18 -4.899 -3.441 2.243
135 3HG2 VAL 18 3HG2 VAL 18 -5.170 -5.006 3.046
136 H GLU 19 H GLU 19 -8.022 -3.886 -0.771
137 HA GLU 19 HA GLU 19 -8.070 -5.774 -2.778
138 1HB GLU 19 1HB GLU 19 -9.921 -4.124 -1.428
139 2HB GLU 19 2HB GLU 19 -10.111 -3.698 -3.118
140 1HG GLU 19 1HG GLU 19 -10.898 -5.796 -3.711
141 2HG GLU 19 2HG GLU 19 -9.893 -6.628 -2.541
142 H ALA 20 H ALA 20 -7.926 -2.151 -2.963
143 HA ALA 20 HA ALA 20 -7.929 -1.987 -5.739
144 1HB ALA 20 1HB ALA 20 -7.171 -0.258 -3.423
145 2HB ALA 20 2HB ALA 20 -6.542 0.212 -5.020
146 3HB ALA 20 3HB ALA 20 -8.297 0.057 -4.764
147 H LEU 21 H LEU 21 -5.304 -2.548 -3.354
148 HA LEU 21 HA LEU 21 -3.190 -2.220 -5.171
149 1HB LEU 21 1HB LEU 21 -3.601 -3.122 -2.427
150 2HB LEU 21 2HB LEU 21 -2.323 -4.004 -3.239
151 HG LEU 21 HG LEU 21 -2.389 -0.991 -3.288
152 1HD1 LEU 21 1HD1 LEU 21 -1.489 -0.743 -1.218
153 2HD1 LEU 21 2HD1 LEU 21 -2.469 -2.196 -0.907
154 3HD1 LEU 21 3HD1 LEU 21 -0.725 -2.351 -1.228
155 1HD2 LEU 21 1HD2 LEU 21 -0.404 -3.135 -3.908
156 2HD2 LEU 21 2HD2 LEU 21 -0.769 -1.622 -4.770
157 3HD2 LEU 21 3HD2 LEU 21 0.190 -1.583 -3.271
158 H ALA 22 H ALA 22 -4.782 -5.229 -3.892
159 HA ALA 22 HA ALA 22 -3.402 -7.001 -5.495
160 1HB ALA 22 1HB ALA 22 -5.175 -7.230 -3.502
161 2HB ALA 22 2HB ALA 22 -6.289 -7.502 -4.864
162 3HB ALA 22 3HB ALA 22 -4.874 -8.559 -4.647
163 H GLN 23 H GLN 23 -6.435 -5.142 -6.121
164 HA GLN 23 HA GLN 23 -7.067 -6.343 -8.504
165 1HB GLN 23 1HB GLN 23 -7.624 -3.652 -7.266
166 2HB GLN 23 2HB GLN 23 -8.065 -3.896 -8.944
167 1HG GLN 23 1HG GLN 23 -8.953 -6.239 -7.608
168 2HG GLN 23 2HG GLN 23 -9.360 -4.922 -6.526
169 1HE2 GLN 23 1HE2 GLN 23 -11.428 -4.526 -6.777
170 2HE2 GLN 23 2HE2 GLN 23 -12.264 -4.254 -8.269
171 H ALA 24 H ALA 24 -4.880 -3.564 -7.785
172 HA ALA 24 HA ALA 24 -4.322 -3.093 -10.546
173 1HB ALA 24 1HB ALA 24 -2.313 -1.889 -9.061
174 2HB ALA 24 2HB ALA 24 -3.873 -1.145 -9.489
175 3HB ALA 24 3HB ALA 24 -3.671 -1.946 -7.913
176 H ARG 25 H ARG 25 -3.430 -5.500 -8.286
177 HA ARG 25 HA ARG 25 -1.965 -7.087 -8.293
178 1HB ARG 25 1HB ARG 25 -1.999 -6.296 -11.188
179 2HB ARG 25 2HB ARG 25 -0.647 -7.294 -10.690
180 1HG ARG 25 1HG ARG 25 -3.153 -8.304 -9.553
181 2HG ARG 25 2HG ARG 25 -3.275 -8.165 -11.296
182 1HD ARG 25 1HD ARG 25 -0.753 -9.282 -11.027
183 2HD ARG 25 2HD ARG 25 -1.586 -9.993 -9.659
184 HE ARG 25 HE ARG 25 -3.245 -10.142 -12.021
185 1HH1 ARG 25 2HH2 ARG 25 -0.431 -11.621 -10.511
186 2HH1 ARG 25 1HH2 ARG 25 -0.647 -13.145 -11.305
187 1HH2 ARG 25 2HH1 ARG 25 -3.530 -12.153 -13.068
188 2HH2 ARG 25 1HH1 ARG 25 -2.422 -13.450 -12.769
189 H ALA 26 H ALA 26 -1.111 -4.570 -7.268
190 HA ALA 26 HA ALA 26 1.220 -3.521 -8.222
191 1HB ALA 26 1HB ALA 26 0.952 -3.921 -5.267
192 2HB ALA 26 2HB ALA 26 1.304 -2.442 -6.192
193 3HB ALA 26 3HB ALA 26 -0.363 -3.058 -6.100
194 H GLY 27 H GLY 27 0.786 -6.359 -6.006
195 1HA GLY 27 1HA GLY 27 2.279 -8.249 -6.616
196 2HA GLY 27 2HA GLY 27 3.593 -7.090 -6.595
197 H ALA 28 H ALA 28 4.815 -7.813 -4.853
198 HA ALA 28 HA ALA 28 3.401 -8.280 -2.340
199 1HB ALA 28 1HB ALA 28 4.863 -10.069 -2.965
200 2HB ALA 28 2HB ALA 28 6.181 -8.943 -3.369
201 3HB ALA 28 3HB ALA 28 5.696 -9.174 -1.672
202 H PHE 29 H PHE 29 4.224 -7.278 -0.345
203 HA PHE 29 HA PHE 29 6.067 -5.117 -0.573
204 1HB PHE 29 1HB PHE 29 4.278 -3.427 0.156
205 2HB PHE 29 2HB PHE 29 4.058 -4.011 -1.482
206 HD1 PHE 29 HD1 PHE 29 2.773 -4.160 1.951
207 HD2 PHE 29 HD2 PHE 29 2.177 -5.407 -2.061
208 HE1 PHE 29 HE1 PHE 29 0.436 -4.876 2.521
209 HE2 PHE 29 HE2 PHE 29 -0.161 -6.123 -1.491
210 HZ PHE 29 HZ PHE 29 -1.003 -5.850 0.793
211 H PHE 30 H PHE 30 5.703 -3.705 1.681
212 HA PHE 30 HA PHE 30 5.612 -5.792 3.738
213 1HB PHE 30 1HB PHE 30 6.902 -2.998 3.681
214 2HB PHE 30 2HB PHE 30 7.128 -4.185 4.950
215 HD1 PHE 30 HD1 PHE 30 8.898 -2.707 2.567
216 HD2 PHE 30 HD2 PHE 30 7.691 -6.649 3.574
217 HE1 PHE 30 HE1 PHE 30 10.891 -3.628 1.350
218 HE2 PHE 30 HE2 PHE 30 9.684 -7.570 2.357
219 HZ PHE 30 HZ PHE 30 11.260 -6.049 1.260
220 H SER 31 H SER 31 4.191 -5.622 5.442
221 HA SER 31 HA SER 31 2.451 -3.301 5.340
222 1HB SER 31 1HB SER 31 2.136 -6.153 6.243
223 2HB SER 31 2HB SER 31 1.162 -4.941 7.049
224 HG SER 31 HG SER 31 -0.148 -5.070 5.369
225 H VAL 32 H VAL 32 2.332 -1.850 7.060
226 HA VAL 32 HA VAL 32 3.914 -2.561 9.434
227 HB VAL 32 HB VAL 32 3.621 0.120 8.063
228 1HG1 VAL 32 1HG1 VAL 32 4.981 1.072 9.748
229 2HG1 VAL 32 2HG1 VAL 32 3.755 0.117 10.616
230 3HG1 VAL 32 3HG1 VAL 32 5.406 -0.519 10.422
231 1HG2 VAL 32 1HG2 VAL 32 5.202 -0.865 6.744
232 2HG2 VAL 32 2HG2 VAL 32 6.264 -0.324 8.067
233 3HG2 VAL 32 3HG2 VAL 32 5.706 -2.013 8.008
234 H PHE 33 H PHE 33 2.950 -2.238 11.424
235 HA PHE 33 HA PHE 33 0.136 -1.502 11.294
236 1HB PHE 33 1HB PHE 33 1.851 -2.595 13.598
237 2HB PHE 33 2HB PHE 33 0.101 -2.634 13.507
238 HD1 PHE 33 HD1 PHE 33 -0.947 -4.040 11.621
239 HD2 PHE 33 HD2 PHE 33 3.108 -4.403 12.820
240 HE1 PHE 33 HE1 PHE 33 -0.843 -6.321 10.579
241 HE2 PHE 33 HE2 PHE 33 3.212 -6.683 11.777
242 HZ PHE 33 HZ PHE 33 1.235 -7.615 10.669
243 H ILE 34 H ILE 34 -0.527 0.505 11.884
244 HA ILE 34 HA ILE 34 1.362 2.288 13.094
245 HB ILE 34 HB ILE 34 -0.269 3.970 12.722
246 1HG1 ILE 34 1HG1 ILE 34 -2.412 2.250 11.656
247 2HG1 ILE 34 2HG1 ILE 34 -2.155 2.082 13.381
248 1HG2 ILE 34 1HG2 ILE 34 0.472 3.869 10.627
249 2HG2 ILE 34 2HG2 ILE 34 0.486 2.089 10.633
250 3HG2 ILE 34 3HG2 ILE 34 -1.012 2.966 10.240
251 1HD1 ILE 34 1HD1 ILE 34 -3.802 3.913 12.679
252 2HD1 ILE 34 2HD1 ILE 34 -2.497 4.438 13.770
253 3HD1 ILE 34 3HD1 ILE 34 -2.404 4.802 12.030
254 H ASP 35 H ASP 35 -1.082 0.042 14.156
255 HA ASP 35 HA ASP 35 -2.070 1.209 16.373
256 1HB ASP 35 1HB ASP 35 -2.533 -1.000 17.171
257 2HB ASP 35 2HB ASP 35 -2.537 -1.126 15.423
258 H ASP 36 H ASP 36 -1.368 1.308 18.631
259 HA ASP 36 HA ASP 36 0.015 1.166 20.338
260 1HB ASP 36 1HB ASP 36 1.106 -0.828 18.844
261 2HB ASP 36 2HB ASP 36 2.422 0.324 18.744
262 H ASP 37 H ASP 37 1.739 1.956 17.224
263 HA ASP 37 HA ASP 37 3.358 3.911 18.372
264 1HB ASP 37 1HB ASP 37 2.582 3.046 15.606
265 2HB ASP 37 2HB ASP 37 3.246 4.661 15.746
266 H ALA 38 H ALA 38 2.029 5.431 19.555
267 HA ALA 38 HA ALA 38 -0.335 6.536 18.584
268 1HB ALA 38 1HB ALA 38 0.998 8.396 20.298
269 2HB ALA 38 2HB ALA 38 -0.304 7.254 20.710
270 3HB ALA 38 3HB ALA 38 1.399 6.756 20.865
271 H ALA 39 H ALA 39 3.101 7.343 18.061
272 HA ALA 39 HA ALA 39 2.711 9.913 17.028
273 1HB ALA 39 1HB ALA 39 4.854 7.798 16.598
274 2HB ALA 39 2HB ALA 39 4.973 9.462 15.979
275 3HB ALA 39 3HB ALA 39 4.892 9.169 17.733
276 H LEU 40 H LEU 40 2.846 6.649 15.463
277 HA LEU 40 HA LEU 40 2.437 7.705 12.865
278 1HB LEU 40 1HB LEU 40 2.066 4.900 13.926
279 2HB LEU 40 2HB LEU 40 2.126 5.361 12.236
280 HG LEU 40 HG LEU 40 4.403 5.698 14.209
281 1HD1 LEU 40 1HD1 LEU 40 5.463 3.856 12.870
282 2HD1 LEU 40 2HD1 LEU 40 4.077 3.362 13.871
283 3HD1 LEU 40 3HD1 LEU 40 3.875 3.577 12.116
284 1HD2 LEU 40 1HD2 LEU 40 4.463 7.373 12.440
285 2HD2 LEU 40 2HD2 LEU 40 5.773 6.185 12.234
286 3HD2 LEU 40 3HD2 LEU 40 4.322 6.098 11.206
287 H GLU 41 H GLU 41 0.347 6.634 15.543
288 HA GLU 41 HA GLU 41 -1.967 6.376 14.013
289 1HB GLU 41 1HB GLU 41 -1.442 6.849 16.966
290 2HB GLU 41 2HB GLU 41 -3.078 6.764 16.344
291 1HG GLU 41 1HG GLU 41 -1.324 4.566 15.384
292 2HG GLU 41 2HG GLU 41 -1.548 4.579 17.122
293 H SER 42 H SER 42 -0.555 9.119 15.901
294 HA SER 42 HA SER 42 -2.726 10.818 15.338
295 1HB SER 42 1HB SER 42 -0.460 10.852 17.016
296 2HB SER 42 2HB SER 42 -0.197 12.192 15.919
297 HG SER 42 HG SER 42 -1.484 13.213 17.319
298 H ALA 43 H ALA 43 0.290 9.920 13.713
299 HA ALA 43 HA ALA 43 0.391 12.194 12.007
300 1HB ALA 43 1HB ALA 43 1.841 9.645 12.427
301 2HB ALA 43 2HB ALA 43 1.830 10.228 10.745
302 3HB ALA 43 3HB ALA 43 2.465 11.267 12.043
303 H TYR 44 H TYR 44 -0.915 8.837 11.792
304 HA TYR 44 HA TYR 44 -2.124 9.587 9.222
305 1HB TYR 44 1HB TYR 44 -1.478 6.951 10.678
306 2HB TYR 44 2HB TYR 44 -2.377 6.991 9.174
307 HD1 TYR 44 HD1 TYR 44 -0.991 8.839 7.464
308 HD2 TYR 44 HD2 TYR 44 0.648 6.103 10.316
309 HE1 TYR 44 HE1 TYR 44 1.193 8.781 6.164
310 HE2 TYR 44 HE2 TYR 44 2.826 6.054 9.006
311 HH TYR 44 HH TYR 44 3.901 6.763 7.279
312 H GLY 45 H GLY 45 -2.915 7.308 11.942
313 1HA GLY 45 1HA GLY 45 -4.836 6.933 13.045
314 2HA GLY 45 2HA GLY 45 -5.221 8.625 12.804
315 H LEU 46 H LEU 46 -6.283 9.289 10.741
316 HA LEU 46 HA LEU 46 -8.198 7.277 9.971
317 1HB LEU 46 1HB LEU 46 -8.160 10.079 10.241
318 2HB LEU 46 2HB LEU 46 -8.396 9.766 8.533
319 HG LEU 46 HG LEU 46 -10.521 10.027 9.709
320 1HD1 LEU 46 1HD1 LEU 46 -11.401 7.577 9.139
321 2HD1 LEU 46 2HD1 LEU 46 -10.949 8.749 7.878
322 3HD1 LEU 46 3HD1 LEU 46 -9.806 7.471 8.355
323 1HD2 LEU 46 1HD2 LEU 46 -10.411 7.463 11.146
324 2HD2 LEU 46 2HD2 LEU 46 -9.339 8.723 11.802
325 3HD2 LEU 46 3HD2 LEU 46 -11.083 9.037 11.638
326 H ARG 47 H ARG 47 -5.254 8.807 8.738
327 HA ARG 47 HA ARG 47 -5.772 7.779 6.109
328 1HB ARG 47 1HB ARG 47 -3.366 9.275 7.269
329 2HB ARG 47 2HB ARG 47 -3.533 8.844 5.579
330 1HG ARG 47 1HG ARG 47 -4.692 10.761 5.242
331 2HG ARG 47 2HG ARG 47 -5.975 10.130 6.255
332 1HD ARG 47 1HD ARG 47 -5.352 11.402 8.080
333 2HD ARG 47 2HD ARG 47 -3.639 11.220 7.758
334 HE ARG 47 HE ARG 47 -5.409 13.324 6.707
335 1HH1 ARG 47 2HH2 ARG 47 -2.317 11.677 6.374
336 2HH1 ARG 47 1HH2 ARG 47 -1.570 12.982 5.513
337 1HH2 ARG 47 2HH1 ARG 47 -4.424 15.045 5.571
338 2HH2 ARG 47 1HH1 ARG 47 -2.777 14.910 5.053
339 H VAL 48 H VAL 48 -5.615 5.786 8.189
340 HA VAL 48 HA VAL 48 -3.098 4.696 8.563
341 HB VAL 48 HB VAL 48 -5.908 3.884 8.823
342 1HG1 VAL 48 1HG1 VAL 48 -5.041 1.444 9.285
343 2HG1 VAL 48 2HG1 VAL 48 -5.503 1.940 7.639
344 3HG1 VAL 48 3HG1 VAL 48 -3.785 1.884 8.104
345 1HG2 VAL 48 1HG2 VAL 48 -5.252 4.207 10.932
346 2HG2 VAL 48 2HG2 VAL 48 -4.313 2.700 10.808
347 3HG2 VAL 48 3HG2 VAL 48 -3.539 4.262 10.452
348 HA PRO 49 HA PRO 49 -3.905 2.306 4.558
349 1HB PRO 49 1HB PRO 49 -5.950 3.057 2.909
350 2HB PRO 49 2HB PRO 49 -6.089 1.759 4.078
351 1HG PRO 49 1HG PRO 49 -7.200 4.496 4.207
352 2HG PRO 49 2HG PRO 49 -7.665 3.078 5.126
353 1HD PRO 49 1HD PRO 49 -6.079 5.281 6.053
354 2HD PRO 49 2HD PRO 49 -6.447 3.811 6.933
355 H VAL 50 H VAL 50 -1.961 3.783 4.643
356 HA VAL 50 HA VAL 50 -2.161 5.544 2.298
357 HB VAL 50 HB VAL 50 -0.740 5.824 4.927
358 1HG1 VAL 50 1HG1 VAL 50 0.656 7.595 4.041
359 2HG1 VAL 50 2HG1 VAL 50 0.959 6.098 3.126
360 3HG1 VAL 50 3HG1 VAL 50 -0.044 7.387 2.418
361 1HG2 VAL 50 1HG2 VAL 50 -2.156 7.972 3.352
362 2HG2 VAL 50 2HG2 VAL 50 -3.067 6.806 4.340
363 3HG2 VAL 50 3HG2 VAL 50 -1.861 7.868 5.104
364 H LEU 51 H LEU 51 -0.709 5.221 0.640
365 HA LEU 51 HA LEU 51 1.140 2.982 1.049
366 1HB LEU 51 1HB LEU 51 -0.764 3.623 -0.989
367 2HB LEU 51 2HB LEU 51 0.838 3.627 -1.697
368 HG LEU 51 HG LEU 51 -0.439 1.344 -0.168
369 1HD1 LEU 51 1HD1 LEU 51 -1.472 1.267 -2.221
370 2HD1 LEU 51 2HD1 LEU 51 -0.070 1.951 -3.080
371 3HD1 LEU 51 3HD1 LEU 51 -0.035 0.260 -2.522
372 1HD2 LEU 51 1HD2 LEU 51 2.363 1.845 -1.005
373 2HD2 LEU 51 2HD2 LEU 51 1.714 0.875 0.338
374 3HD2 LEU 51 3HD2 LEU 51 1.715 0.217 -1.316
375 H ARG 52 H ARG 52 3.329 3.249 0.750
376 HA ARG 52 HA ARG 52 4.149 5.811 -0.325
377 1HB ARG 52 1HB ARG 52 5.828 6.083 1.486
378 2HB ARG 52 2HB ARG 52 4.210 6.017 2.155
379 1HG ARG 52 1HG ARG 52 4.581 3.498 2.522
380 2HG ARG 52 2HG ARG 52 6.259 3.758 2.089
381 1HD ARG 52 1HD ARG 52 5.251 5.676 4.124
382 2HD ARG 52 2HD ARG 52 5.211 4.007 4.656
383 HE ARG 52 HE ARG 52 7.575 3.919 4.570
384 1HH1 ARG 52 2HH2 ARG 52 6.400 6.918 3.151
385 2HH1 ARG 52 1HH2 ARG 52 7.966 7.657 3.103
386 1HH2 ARG 52 2HH1 ARG 52 9.640 4.895 4.508
387 2HH2 ARG 52 1HH1 ARG 52 9.821 6.499 3.880
388 H ASP 53 H ASP 53 6.156 5.729 -1.482
389 HA ASP 53 HA ASP 53 7.333 3.064 -1.598
390 1HB ASP 53 1HB ASP 53 7.418 4.918 -3.978
391 2HB ASP 53 2HB ASP 53 7.491 3.168 -3.947
392 HA PRO 54 HA PRO 54 11.117 5.234 -1.136
393 1HB PRO 54 1HB PRO 54 12.913 3.708 -2.521
394 2HB PRO 54 2HB PRO 54 12.339 3.294 -0.918
395 1HG PRO 54 1HG PRO 54 11.606 2.092 -3.517
396 2HG PRO 54 2HG PRO 54 11.387 1.440 -1.905
397 1HD PRO 54 1HD PRO 54 9.369 2.618 -3.569
398 2HD PRO 54 2HD PRO 54 9.176 2.072 -1.915
399 H MET 55 H MET 55 9.830 4.847 -4.247
400 HA MET 55 HA MET 55 11.238 7.266 -4.987
401 1HB MET 55 1HB MET 55 11.119 4.663 -6.601
402 2HB MET 55 2HB MET 55 11.535 6.198 -7.338
403 1HG MET 55 1HG MET 55 13.262 6.252 -5.222
404 2HG MET 55 2HG MET 55 13.122 4.517 -5.423
405 1HE MET 55 1HE MET 55 14.474 3.586 -8.646
406 2HE MET 55 2HE MET 55 13.114 3.387 -7.516
407 3HE MET 55 3HE MET 55 12.902 4.341 -9.004
408 H GLY 56 H GLY 56 8.680 4.826 -5.714
409 1HA GLY 56 1HA GLY 56 7.238 6.329 -7.586
410 2HA GLY 56 2HA GLY 56 6.618 5.034 -6.582
411 H ARG 57 H ARG 57 7.742 6.827 -4.178
412 HA ARG 57 HA ARG 57 7.052 8.451 -2.898
413 1HB ARG 57 1HB ARG 57 4.878 9.270 -4.870
414 2HB ARG 57 2HB ARG 57 5.662 10.269 -3.662
415 1HG ARG 57 1HG ARG 57 7.862 9.549 -5.088
416 2HG ARG 57 2HG ARG 57 6.664 9.408 -6.360
417 1HD ARG 57 1HD ARG 57 6.568 11.666 -6.591
418 2HD ARG 57 2HD ARG 57 6.165 11.864 -4.897
419 HE ARG 57 HE ARG 57 8.933 11.307 -4.981
420 1HH1 ARG 57 2HH2 ARG 57 6.757 13.808 -6.160
421 2HH1 ARG 57 1HH2 ARG 57 7.956 15.056 -6.107
422 1HH2 ARG 57 2HH1 ARG 57 10.516 12.954 -4.910
423 2HH2 ARG 57 1HH1 ARG 57 10.109 14.567 -5.391
424 H GLU 58 H GLU 58 4.402 9.401 -2.298
425 HA GLU 58 HA GLU 58 3.128 6.856 -1.659
426 1HB GLU 58 1HB GLU 58 2.121 8.118 0.292
427 2HB GLU 58 2HB GLU 58 3.863 7.936 0.366
428 1HG GLU 58 1HG GLU 58 3.204 10.363 -1.105
429 2HG GLU 58 2HG GLU 58 2.360 10.366 0.431
430 H LEU 59 H LEU 59 0.844 6.645 -1.931
431 HA LEU 59 HA LEU 59 -0.325 8.802 -3.547
432 1HB LEU 59 1HB LEU 59 0.147 6.616 -4.682
433 2HB LEU 59 2HB LEU 59 -1.015 5.863 -3.608
434 HG LEU 59 HG LEU 59 -2.743 7.496 -4.502
435 1HD1 LEU 59 1HD1 LEU 59 -0.600 8.796 -5.597
436 2HD1 LEU 59 2HD1 LEU 59 -1.233 7.892 -6.994
437 3HD1 LEU 59 3HD1 LEU 59 -2.296 9.003 -6.097
438 1HD2 LEU 59 1HD2 LEU 59 -2.841 6.225 -6.777
439 2HD2 LEU 59 2HD2 LEU 59 -1.473 5.302 -6.111
440 3HD2 LEU 59 3HD2 LEU 59 -3.031 5.330 -5.250
441 H ASP 60 H ASP 60 -2.510 9.415 -3.130
442 HA ASP 60 HA ASP 60 -3.170 9.658 -0.535
443 1HB ASP 60 1HB ASP 60 -5.344 9.308 -2.620
444 2HB ASP 60 2HB ASP 60 -5.296 10.437 -1.281
445 H TRP 61 H TRP 61 -5.094 8.652 0.686
446 HA TRP 61 HA TRP 61 -4.849 5.857 0.748
447 1HB TRP 61 1HB TRP 61 -5.550 6.390 2.777
448 2HB TRP 61 2HB TRP 61 -6.162 7.946 2.251
449 HD1 TRP 61 HD1 TRP 61 -8.646 8.072 3.041
450 HE1 TRP 61 HE1 TRP 61 -10.803 6.552 3.044
451 HE3 TRP 61 HE3 TRP 61 -6.388 3.955 1.090
452 HZ2 TRP 61 HZ2 TRP 61 -11.312 3.860 2.247
453 HZ3 TRP 61 HZ3 TRP 61 -7.787 1.922 0.734
454 HH2 TRP 61 HH2 TRP 61 -10.168 1.832 1.279
455 HA PRO 62 HA PRO 62 -9.012 6.014 -1.521
456 1HB PRO 62 1HB PRO 62 -9.978 8.388 -2.466
457 2HB PRO 62 2HB PRO 62 -10.460 7.703 -0.927
458 1HG PRO 62 1HG PRO 62 -8.635 9.967 -1.458
459 2HG PRO 62 2HG PRO 62 -9.452 9.542 0.033
460 1HD PRO 62 1HD PRO 62 -6.688 9.104 -0.594
461 2HD PRO 62 2HD PRO 62 -7.532 8.576 0.848
462 H PHE 63 H PHE 63 -8.702 4.898 -3.331
463 HA PHE 63 HA PHE 63 -7.939 6.391 -5.649
464 1HB PHE 63 1HB PHE 63 -6.001 4.489 -5.850
465 2HB PHE 63 2HB PHE 63 -5.682 6.026 -5.071
466 HD1 PHE 63 HD1 PHE 63 -4.104 5.499 -3.439
467 HD2 PHE 63 HD2 PHE 63 -7.612 3.132 -3.750
468 HE1 PHE 63 HE1 PHE 63 -3.481 4.299 -1.325
469 HE2 PHE 63 HE2 PHE 63 -6.990 1.932 -1.636
470 HZ PHE 63 HZ PHE 63 -4.932 2.529 -0.448
471 H ASP 64 H ASP 64 -7.634 4.751 -7.582
472 HA ASP 64 HA ASP 64 -9.651 2.693 -7.163
473 1HB ASP 64 1HB ASP 64 -8.760 3.863 -9.831
474 2HB ASP 64 2HB ASP 64 -10.194 2.904 -9.521
475 H ALA 65 H ALA 65 -9.227 1.069 -9.387
476 HA ALA 65 HA ALA 65 -6.773 -0.229 -8.697
477 1HB ALA 65 1HB ALA 65 -7.797 -2.030 -9.607
478 2HB ALA 65 2HB ALA 65 -9.251 -1.004 -9.656
479 3HB ALA 65 3HB ALA 65 -8.216 -1.151 -11.097
480 HA PRO 66 HA PRO 66 -5.724 1.288 -13.059
481 1HB PRO 66 1HB PRO 66 -7.321 3.138 -14.282
482 2HB PRO 66 2HB PRO 66 -7.454 1.415 -14.573
483 1HG PRO 66 1HG PRO 66 -9.223 3.168 -12.979
484 2HG PRO 66 2HG PRO 66 -9.552 1.573 -13.628
485 1HD PRO 66 1HD PRO 66 -8.933 2.223 -10.904
486 2HD PRO 66 2HD PRO 66 -9.148 0.619 -11.576
487 H ARG 67 H ARG 67 -6.961 3.425 -10.693
488 HA ARG 67 HA ARG 67 -5.278 5.550 -11.562
489 1HB ARG 67 1HB ARG 67 -7.591 5.418 -10.052
490 2HB ARG 67 2HB ARG 67 -6.392 5.612 -8.788
491 1HG ARG 67 1HG ARG 67 -5.731 7.733 -9.535
492 2HG ARG 67 2HG ARG 67 -6.181 7.411 -11.198
493 1HD ARG 67 1HD ARG 67 -8.487 7.321 -9.333
494 2HD ARG 67 2HD ARG 67 -7.693 8.883 -9.370
495 HE ARG 67 HE ARG 67 -8.144 7.784 -12.043
496 1HH1 ARG 67 2HH2 ARG 67 -9.592 9.628 -9.419
497 2HH1 ARG 67 1HH2 ARG 67 -10.737 10.428 -10.442
498 1HH2 ARG 67 2HH1 ARG 67 -9.654 8.840 -13.394
499 2HH2 ARG 67 1HH1 ARG 67 -10.773 9.977 -12.719
500 H LEU 68 H LEU 68 -5.248 2.886 -9.190
501 HA LEU 68 HA LEU 68 -2.973 3.922 -7.781
502 1HB LEU 68 1HB LEU 68 -4.816 2.565 -6.769
503 2HB LEU 68 2HB LEU 68 -4.229 1.178 -7.665
504 HG LEU 68 HG LEU 68 -1.981 2.202 -6.299
505 1HD1 LEU 68 1HD1 LEU 68 -3.731 3.456 -4.941
506 2HD1 LEU 68 2HD1 LEU 68 -4.245 1.866 -4.330
507 3HD1 LEU 68 3HD1 LEU 68 -2.586 2.438 -4.036
508 1HD2 LEU 68 1HD2 LEU 68 -3.043 -0.219 -6.846
509 2HD2 LEU 68 2HD2 LEU 68 -1.734 0.051 -5.670
510 3HD2 LEU 68 3HD2 LEU 68 -3.417 -0.098 -5.110
511 H ARG 69 H ARG 69 -3.668 1.527 -10.363
512 HA ARG 69 HA ARG 69 -1.077 0.491 -10.387
513 1HB ARG 69 1HB ARG 69 -2.970 -0.736 -11.373
514 2HB ARG 69 2HB ARG 69 -3.266 0.555 -12.521
515 1HG ARG 69 1HG ARG 69 -2.045 -0.993 -13.813
516 2HG ARG 69 2HG ARG 69 -0.803 0.140 -13.318
517 1HD ARG 69 1HD ARG 69 0.252 -1.397 -11.962
518 2HD ARG 69 2HD ARG 69 -1.255 -2.079 -11.384
519 HE ARG 69 HE ARG 69 -1.027 -2.810 -14.114
520 1HH1 ARG 69 2HH2 ARG 69 0.671 -3.404 -11.090
521 2HH1 ARG 69 1HH2 ARG 69 1.252 -4.962 -11.573
522 1HH2 ARG 69 2HH1 ARG 69 -0.261 -4.866 -14.753
523 2HH2 ARG 69 1HH1 ARG 69 0.719 -5.800 -13.671
524 H ALA 70 H ALA 70 -2.801 2.956 -12.425
525 HA ALA 70 HA ALA 70 -0.728 3.504 -14.170
526 1HB ALA 70 1HB ALA 70 -3.136 4.232 -14.327
527 2HB ALA 70 2HB ALA 70 -2.793 5.457 -13.082
528 3HB ALA 70 3HB ALA 70 -1.963 5.530 -14.655
529 H TRP 71 H TRP 71 -1.269 4.456 -10.789
530 HA TRP 71 HA TRP 71 0.679 6.541 -10.830
531 1HB TRP 71 1HB TRP 71 -1.136 6.650 -9.272
532 2HB TRP 71 2HB TRP 71 -0.743 5.078 -8.605
533 HD1 TRP 71 HD1 TRP 71 0.600 8.710 -8.604
534 HE1 TRP 71 HE1 TRP 71 2.192 9.129 -6.542
535 HE3 TRP 71 HE3 TRP 71 0.699 3.876 -7.028
536 HZ2 TRP 71 HZ2 TRP 71 3.290 7.431 -4.528
537 HZ3 TRP 71 HZ3 TRP 71 2.055 3.342 -5.006
538 HH2 TRP 71 HH2 TRP 71 3.321 5.026 -3.768
539 H LEU 72 H LEU 72 0.550 3.023 -10.198
540 HA LEU 72 HA LEU 72 3.079 2.839 -8.976
541 1HB LEU 72 1HB LEU 72 1.248 0.880 -10.340
542 2HB LEU 72 2HB LEU 72 2.821 0.399 -9.736
543 HG LEU 72 HG LEU 72 0.710 1.696 -7.997
544 1HD1 LEU 72 1HD1 LEU 72 0.051 -0.536 -9.096
545 2HD1 LEU 72 2HD1 LEU 72 1.282 -1.261 -8.034
546 3HD1 LEU 72 3HD1 LEU 72 -0.099 -0.386 -7.329
547 1HD2 LEU 72 1HD2 LEU 72 2.449 1.884 -6.609
548 2HD2 LEU 72 2HD2 LEU 72 2.316 0.120 -6.409
549 3HD2 LEU 72 3HD2 LEU 72 3.467 0.798 -7.586
550 H ASP 73 H ASP 73 1.927 2.586 -12.386
551 HA ASP 73 HA ASP 73 4.534 1.988 -13.311
552 1HB ASP 73 1HB ASP 73 1.826 2.205 -14.388
553 2HB ASP 73 2HB ASP 73 2.954 3.030 -15.445
554 H ALA 74 H ALA 74 3.053 4.775 -12.094
555 HA ALA 74 HA ALA 74 4.211 6.638 -13.981
556 1HB ALA 74 1HB ALA 74 2.066 7.244 -13.145
557 2HB ALA 74 2HB ALA 74 2.528 6.870 -11.467
558 3HB ALA 74 3HB ALA 74 3.219 8.292 -12.284
559 H ALA 75 H ALA 75 5.015 4.970 -11.007
560 HA ALA 75 HA ALA 75 6.605 6.617 -9.626
561 1HB ALA 75 1HB ALA 75 6.336 3.786 -10.047
562 2HB ALA 75 2HB ALA 75 8.069 4.183 -9.953
563 3HB ALA 75 3HB ALA 75 6.977 4.643 -8.625
564 HA PRO 76 HA PRO 76 10.110 6.130 -12.756
565 1HB PRO 76 1HB PRO 76 9.714 4.779 -15.098
566 2HB PRO 76 2HB PRO 76 10.410 4.038 -13.671
567 1HG PRO 76 1HG PRO 76 7.690 3.722 -14.786
568 2HG PRO 76 2HG PRO 76 8.533 2.697 -13.642
569 1HD PRO 76 1HD PRO 76 6.458 4.585 -13.048
570 2HD PRO 76 2HD PRO 76 7.381 3.645 -11.893
571 H HIS 77 H HIS 77 10.852 7.128 -14.894
572 HA HIS 77 HA HIS 77 8.672 8.902 -15.725
573 1HB HIS 77 1HB HIS 77 11.562 9.737 -15.746
574 2HB HIS 77 2HB HIS 77 10.125 10.738 -15.787
575 HD1 HIS 77 HD1 HIS 77 8.664 10.720 -13.445
576 HD2 HIS 77 HD2 HIS 77 12.643 9.405 -13.244
577 HE1 HIS 77 HE1 HIS 77 9.327 10.820 -10.983
578 H ALA 78 H ALA 78 8.039 8.326 -17.742
579 HA ALA 78 HA ALA 78 10.170 7.810 -19.686
580 1HB ALA 78 1HB ALA 78 9.344 5.626 -19.020
581 2HB ALA 78 2HB ALA 78 7.657 6.157 -19.219
582 3HB ALA 78 3HB ALA 78 8.714 5.999 -20.642