Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10745 | 1q7i RC | 5949 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1HT GLY 1 -12.811 -15.049 2.357
2 2H GLY 1 2HT GLY 1 -13.742 -13.721 1.851
3 3H GLY 1 3HT GLY 1 -13.216 -13.829 3.463
4 1HA GLY 1 1HA GLY 1 -10.964 -13.482 2.863
5 2HA GLY 1 2HA GLY 1 -11.372 -13.623 1.151
6 H LYS 2 H LYS 2 -10.505 -11.457 0.822
7 HA LYS 2 HA LYS 2 -12.534 -9.378 1.370
8 1HB LYS 2 2HB LYS 2 -9.986 -9.556 2.769
9 2HB LYS 2 1HB LYS 2 -10.124 -8.046 1.868
10 1HG LYS 2 2HG LYS 2 -12.622 -8.227 2.960
11 2HG LYS 2 1HG LYS 2 -11.645 -8.975 4.224
12 1HD LYS 2 2HD LYS 2 -10.246 -7.035 4.412
13 2HD LYS 2 1HD LYS 2 -10.942 -6.319 2.957
14 1HE LYS 2 2HE LYS 2 -12.425 -5.267 4.289
15 2HE LYS 2 1HE LYS 2 -13.140 -6.845 4.617
16 1HZ LYS 2 1HZ LYS 2 -11.639 -7.129 6.464
17 2HZ LYS 2 2HZ LYS 2 -12.502 -5.676 6.649
18 3HZ LYS 2 3HZ LYS 2 -10.883 -5.648 6.130
19 H GLU 3 H GLU 3 -12.896 -8.515 -0.608
20 HA GLU 3 HA GLU 3 -10.557 -8.210 -2.454
21 1HB GLU 3 2HB GLU 3 -12.161 -8.437 -4.314
22 2HB GLU 3 1HB GLU 3 -12.198 -9.862 -3.275
23 1HG GLU 3 2HG GLU 3 -14.166 -8.931 -2.090
24 2HG GLU 3 1HG GLU 3 -14.145 -7.539 -3.173
25 H CYS 4 H CYS 4 -11.012 -6.197 -0.626
26 HA CYS 4 HA CYS 4 -12.720 -4.171 -1.895
27 1HB CYS 4 2HB CYS 4 -11.274 -4.409 0.670
28 2HB CYS 4 1HB CYS 4 -11.497 -2.784 0.031
29 H ASP 5 H ASP 5 -11.169 -4.535 -3.859
30 HA ASP 5 HA ASP 5 -8.599 -3.838 -4.246
31 1HB ASP 5 2HB ASP 5 -10.371 -4.137 -6.036
32 2HB ASP 5 1HB ASP 5 -10.773 -2.434 -5.815
33 H CYS 6 H CYS 6 -11.118 -1.457 -3.408
34 HA CYS 6 HA CYS 6 -8.886 0.450 -2.831
35 1HB CYS 6 2HB CYS 6 -10.102 2.257 -3.687
36 2HB CYS 6 1HB CYS 6 -10.512 0.970 -4.813
37 H SER 7 H SER 7 -9.749 2.234 -1.232
38 HA SER 7 HA SER 7 -11.217 0.797 0.941
39 1HB SER 7 2HB SER 7 -10.041 2.504 2.435
40 2HB SER 7 1HB SER 7 -9.003 1.290 1.691
41 HG SER 7 HG SER 7 -8.029 3.209 1.291
42 H SER 8 H SER 8 -11.310 3.448 -1.227
43 HA SER 8 HA SER 8 -13.223 4.962 0.446
44 1HB SER 8 2HB SER 8 -11.371 5.655 -1.584
45 2HB SER 8 1HB SER 8 -12.978 6.018 -2.203
46 HG SER 8 HG SER 8 -13.345 7.326 -0.469
47 HA PRO 9 HA PRO 9 -16.525 2.823 -1.653
48 1HB PRO 9 2HB PRO 9 -18.557 4.102 -0.314
49 2HB PRO 9 1HB PRO 9 -17.612 2.772 0.380
50 1HG PRO 9 2HG PRO 9 -17.478 5.687 0.991
51 2HG PRO 9 1HG PRO 9 -17.053 4.304 2.014
52 1HD PRO 9 2HD PRO 9 -15.229 5.962 0.611
53 2HD PRO 9 1HD PRO 9 -14.853 4.408 1.384
54 H GLU 10 H GLU 10 -15.485 5.893 -2.161
55 HA GLU 10 HA GLU 10 -17.757 6.509 -4.013
56 1HB GLU 10 2HB GLU 10 -17.017 8.051 -1.880
57 2HB GLU 10 1HB GLU 10 -16.024 8.750 -3.158
58 1HG GLU 10 2HG GLU 10 -18.262 8.668 -4.544
59 2HG GLU 10 1HG GLU 10 -19.015 8.607 -2.950
60 H ASN 11 H ASN 11 -14.648 5.451 -3.905
61 HA ASN 11 HA ASN 11 -13.376 7.088 -5.891
62 1HB ASN 11 2HB ASN 11 -12.603 5.002 -4.215
63 2HB ASN 11 1HB ASN 11 -12.458 4.322 -5.836
64 1HD2 ASN 11 1HD2 ASN 11 -10.162 4.431 -6.018
65 2HD2 ASN 11 2HD2 ASN 11 -9.300 5.895 -6.016
66 HA PRO 12 HA PRO 12 -15.417 5.411 -9.446
67 1HB PRO 12 2HB PRO 12 -13.794 6.600 -11.316
68 2HB PRO 12 1HB PRO 12 -15.053 7.468 -10.423
69 1HG PRO 12 2HG PRO 12 -12.096 7.580 -10.081
70 2HG PRO 12 1HG PRO 12 -13.320 8.795 -9.673
71 1HD PRO 12 2HD PRO 12 -12.032 7.029 -7.856
72 2HD PRO 12 1HD PRO 12 -13.438 8.057 -7.509
73 H CYS 13 H CYS 13 -12.059 4.874 -8.691
74 HA CYS 13 HA CYS 13 -11.535 3.095 -10.945
75 1HB CYS 13 2HB CYS 13 -10.047 3.718 -8.394
76 2HB CYS 13 1HB CYS 13 -9.492 2.483 -9.516
77 H CYS 14 H CYS 14 -12.909 2.727 -7.758
78 HA CYS 14 HA CYS 14 -12.850 -0.230 -8.199
79 1HB CYS 14 2HB CYS 14 -13.083 -0.474 -5.756
80 2HB CYS 14 1HB CYS 14 -11.619 0.408 -6.188
81 H ASP 15 H ASP 15 -14.745 -1.081 -6.517
82 HA ASP 15 HA ASP 15 -17.234 0.367 -7.280
83 1HB ASP 15 2HB ASP 15 -16.464 -1.803 -8.637
84 2HB ASP 15 1HB ASP 15 -17.234 -2.593 -7.270
85 H ALA 16 H ALA 16 -18.749 0.427 -5.635
86 HA ALA 16 HA ALA 16 -17.919 -0.520 -3.016
87 1HB ALA 16 1HB ALA 16 -20.310 0.392 -2.445
88 2HB ALA 16 2HB ALA 16 -20.246 1.054 -4.078
89 3HB ALA 16 3HB ALA 16 -19.036 1.529 -2.886
90 H ALA 17 H ALA 17 -20.217 -1.512 -5.489
91 HA ALA 17 HA ALA 17 -21.770 -3.311 -3.914
92 1HB ALA 17 1HB ALA 17 -21.422 -4.381 -6.547
93 2HB ALA 17 2HB ALA 17 -21.525 -2.626 -6.671
94 3HB ALA 17 3HB ALA 17 -22.821 -3.532 -5.891
95 H THR 18 H THR 18 -18.672 -3.713 -5.582
96 HA THR 18 HA THR 18 -18.412 -6.357 -4.210
97 HB THR 18 HB THR 18 -18.684 -6.622 -6.666
98 HG1 THR 18 HG1 THR 18 -17.313 -8.181 -6.479
99 1HG2 THR 18 1HG2 THR 18 -16.623 -5.827 -8.019
100 2HG2 THR 18 2HG2 THR 18 -16.342 -4.728 -6.669
101 3HG2 THR 18 3HG2 THR 18 -17.842 -4.625 -7.590
102 H CYS 19 H CYS 19 -17.440 -3.334 -3.931
103 HA CYS 19 HA CYS 19 -15.461 -2.270 -3.185
104 1HB CYS 19 2HB CYS 19 -16.018 -4.413 -1.572
105 2HB CYS 19 1HB CYS 19 -14.376 -4.738 -2.060
106 H LYS 20 H LYS 20 -15.233 -3.440 -5.910
107 HA LYS 20 HA LYS 20 -12.278 -3.760 -5.816
108 1HB LYS 20 2HB LYS 20 -14.161 -5.854 -6.457
109 2HB LYS 20 1HB LYS 20 -13.095 -5.526 -7.825
110 1HG LYS 20 2HG LYS 20 -11.537 -5.478 -5.419
111 2HG LYS 20 1HG LYS 20 -12.485 -6.965 -5.447
112 1HD LYS 20 2HD LYS 20 -11.674 -7.432 -7.738
113 2HD LYS 20 1HD LYS 20 -10.705 -5.959 -7.688
114 1HE LYS 20 2HE LYS 20 -10.207 -7.567 -5.333
115 2HE LYS 20 1HE LYS 20 -9.939 -8.518 -6.794
116 1HZ LYS 20 1HZ LYS 20 -8.897 -5.840 -6.941
117 2HZ LYS 20 2HZ LYS 20 -8.158 -7.316 -7.341
118 3HZ LYS 20 3HZ LYS 20 -8.171 -6.779 -5.729
119 H LEU 21 H LEU 21 -11.288 -3.583 -8.026
120 HA LEU 21 HA LEU 21 -11.820 -1.211 -9.295
121 1HB LEU 21 2HB LEU 21 -10.684 -3.775 -10.334
122 2HB LEU 21 1HB LEU 21 -10.939 -2.421 -11.435
123 HG LEU 21 HG LEU 21 -9.406 -2.222 -8.832
124 1HD1 LEU 21 1HD1 LEU 21 -8.418 -2.457 -11.689
125 2HD1 LEU 21 2HD1 LEU 21 -8.208 -3.660 -10.416
126 3HD1 LEU 21 3HD1 LEU 21 -7.400 -2.097 -10.294
127 1HD2 LEU 21 1HD2 LEU 21 -10.299 -0.326 -10.909
128 2HD2 LEU 21 2HD2 LEU 21 -8.611 -0.164 -10.427
129 3HD2 LEU 21 3HD2 LEU 21 -9.888 -0.037 -9.218
130 H ARG 22 H ARG 22 -13.570 -0.432 -10.263
131 HA ARG 22 HA ARG 22 -15.635 -2.277 -11.263
132 1HB ARG 22 2HB ARG 22 -16.738 -0.604 -10.135
133 2HB ARG 22 1HB ARG 22 -15.525 0.609 -10.517
134 1HG ARG 22 2HG ARG 22 -16.364 0.749 -12.824
135 2HG ARG 22 1HG ARG 22 -17.547 -0.514 -12.481
136 1HD ARG 22 2HD ARG 22 -18.692 0.880 -10.890
137 2HD ARG 22 1HD ARG 22 -17.411 2.091 -10.941
138 HE ARG 22 HE ARG 22 -18.207 2.088 -13.531
139 1HH1 ARG 22 1HH1 ARG 22 -19.112 4.303 -11.794
140 2HH1 ARG 22 2HH1 ARG 22 -20.837 4.183 -11.882
141 1HH2 ARG 22 1HH2 ARG 22 -20.811 0.944 -13.125
142 2HH2 ARG 22 2HH2 ARG 22 -21.800 2.280 -12.639
143 HA PRO 23 HA PRO 23 -14.521 0.035 -15.275
144 1HB PRO 23 2HB PRO 23 -12.359 1.728 -15.236
145 2HB PRO 23 1HB PRO 23 -14.016 2.248 -14.876
146 1HG PRO 23 2HG PRO 23 -11.737 1.832 -13.009
147 2HG PRO 23 1HG PRO 23 -13.168 2.859 -12.822
148 1HD PRO 23 2HD PRO 23 -12.746 0.313 -11.634
149 2HD PRO 23 1HD PRO 23 -14.263 1.235 -11.645
150 H GLY 24 H GLY 24 -12.380 0.121 -16.819
151 1HA GLY 24 2HA GLY 24 -11.026 -2.450 -16.338
152 2HA GLY 24 1HA GLY 24 -10.925 -1.486 -17.812
153 H ALA 25 H ALA 25 -10.467 0.202 -14.839
154 HA ALA 25 HA ALA 25 -7.886 1.145 -15.532
155 1HB ALA 25 1HB ALA 25 -8.972 0.911 -12.716
156 2HB ALA 25 2HB ALA 25 -9.500 2.153 -13.850
157 3HB ALA 25 3HB ALA 25 -7.818 2.096 -13.326
158 H GLN 26 H GLN 26 -6.291 0.745 -13.255
159 HA GLN 26 HA GLN 26 -5.860 -2.208 -13.252
160 1HB GLN 26 2HB GLN 26 -4.159 -0.167 -14.349
161 2HB GLN 26 1HB GLN 26 -3.336 -0.965 -13.010
162 1HG GLN 26 2HG GLN 26 -2.792 -2.447 -14.689
163 2HG GLN 26 1HG GLN 26 -4.342 -3.139 -14.210
164 1HE2 GLN 26 1HE2 GLN 26 -2.632 -1.578 -16.804
165 2HE2 GLN 26 2HE2 GLN 26 -3.933 -1.498 -17.890
166 H CYS 27 H CYS 27 -6.806 0.149 -11.348
167 HA CYS 27 HA CYS 27 -6.064 -1.106 -8.924
168 1HB CYS 27 2HB CYS 27 -4.597 0.966 -8.152
169 2HB CYS 27 1HB CYS 27 -3.865 -0.428 -8.943
170 H GLY 28 H GLY 28 -6.915 0.005 -7.054
171 1HA GLY 28 2HA GLY 28 -8.939 2.048 -7.819
172 2HA GLY 28 1HA GLY 28 -9.049 0.995 -6.411
173 H GLU 29 H GLU 29 -6.156 1.456 -5.780
174 HA GLU 29 HA GLU 29 -5.666 4.232 -5.397
175 1HB GLU 29 2HB GLU 29 -6.237 4.422 -2.988
176 2HB GLU 29 1HB GLU 29 -7.662 4.177 -3.999
177 1HG GLU 29 2HG GLU 29 -8.073 2.099 -3.147
178 2HG GLU 29 1HG GLU 29 -6.360 1.708 -2.999
179 H GLY 30 H GLY 30 -3.633 4.527 -4.578
180 1HA GLY 30 2HA GLY 30 -2.222 2.832 -2.787
181 2HA GLY 30 1HA GLY 30 -1.816 2.352 -4.433
182 H LEU 31 H LEU 31 0.436 3.217 -3.904
183 HA LEU 31 HA LEU 31 0.438 6.198 -3.898
184 1HB LEU 31 2HB LEU 31 1.792 4.316 -2.368
185 2HB LEU 31 1HB LEU 31 2.990 4.975 -3.471
186 HG LEU 31 HG LEU 31 1.266 6.403 -1.489
187 1HD1 LEU 31 1HD1 LEU 31 3.273 6.982 -0.436
188 2HD1 LEU 31 2HD1 LEU 31 4.215 6.776 -1.913
189 3HD1 LEU 31 3HD1 LEU 31 3.631 5.362 -1.036
190 1HD2 LEU 31 1HD2 LEU 31 2.147 7.343 -4.075
191 2HD2 LEU 31 2HD2 LEU 31 2.937 8.271 -2.800
192 3HD2 LEU 31 3HD2 LEU 31 1.176 8.189 -2.869
193 H CYS 32 H CYS 32 1.315 3.323 -5.577
194 HA CYS 32 HA CYS 32 2.606 4.902 -7.743
195 1HB CYS 32 2HB CYS 32 3.146 2.266 -6.561
196 2HB CYS 32 1HB CYS 32 3.110 2.265 -8.325
197 H CYS 33 H CYS 33 -0.072 5.129 -7.864
198 HA CYS 33 HA CYS 33 -0.733 3.392 -10.176
199 1HB CYS 33 2HB CYS 33 -1.911 2.165 -8.551
200 2HB CYS 33 1HB CYS 33 -2.362 3.599 -7.640
201 H GLU 34 H GLU 34 -0.972 4.884 -11.738
202 HA GLU 34 HA GLU 34 -1.617 7.624 -11.337
203 1HB GLU 34 2HB GLU 34 -0.876 6.014 -13.489
204 2HB GLU 34 1HB GLU 34 -2.474 6.614 -13.919
205 1HG GLU 34 2HG GLU 34 -1.457 8.904 -13.005
206 2HG GLU 34 1HG GLU 34 0.056 8.127 -13.473
207 H GLN 35 H GLN 35 -3.689 8.427 -12.809
208 HA GLN 35 HA GLN 35 -5.966 7.901 -11.213
209 1HB GLN 35 2HB GLN 35 -5.913 8.867 -14.089
210 2HB GLN 35 1HB GLN 35 -7.232 9.090 -12.939
211 1HG GLN 35 2HG GLN 35 -5.237 10.144 -11.482
212 2HG GLN 35 1HG GLN 35 -4.598 10.472 -13.093
213 1HE2 GLN 35 1HE2 GLN 35 -5.215 12.754 -11.828
214 2HE2 GLN 35 2HE2 GLN 35 -6.707 13.391 -12.326
215 H CYS 36 H CYS 36 -6.234 5.633 -11.047
216 HA CYS 36 HA CYS 36 -7.253 3.601 -11.646
217 1HB CYS 36 2HB CYS 36 -8.312 5.530 -13.606
218 2HB CYS 36 1HB CYS 36 -8.266 3.869 -14.189
219 H LYS 37 H LYS 37 -4.479 3.938 -12.127
220 HA LYS 37 HA LYS 37 -4.139 1.991 -14.315
221 1HB LYS 37 2HB LYS 37 -3.732 4.755 -14.780
222 2HB LYS 37 1HB LYS 37 -2.130 4.022 -14.684
223 1HG LYS 37 2HG LYS 37 -4.106 2.460 -16.226
224 2HG LYS 37 1HG LYS 37 -3.684 4.020 -16.935
225 1HD LYS 37 2HD LYS 37 -1.564 3.364 -17.424
226 2HD LYS 37 1HD LYS 37 -1.383 2.493 -15.901
227 1HE LYS 37 2HE LYS 37 -1.480 0.655 -17.257
228 2HE LYS 37 1HE LYS 37 -3.219 0.918 -17.128
229 1HZ LYS 37 1HZ LYS 37 -2.204 2.594 -19.132
230 2HZ LYS 37 2HZ LYS 37 -3.296 1.301 -19.290
231 3HZ LYS 37 3HZ LYS 37 -1.625 1.026 -19.419
232 H PHE 38 H PHE 38 -2.235 0.761 -14.076
233 HA PHE 38 HA PHE 38 -0.975 0.897 -11.431
234 1HB PHE 38 2HB PHE 38 -0.971 -0.999 -13.728
235 2HB PHE 38 1HB PHE 38 0.474 -0.980 -12.726
236 HD1 PHE 38 HD1 PHE 38 -1.984 -3.055 -13.122
237 HD2 PHE 38 HD2 PHE 38 -0.744 -0.307 -10.059
238 HE1 PHE 38 HE1 PHE 38 -3.132 -4.439 -11.414
239 HE2 PHE 38 HE2 PHE 38 -1.896 -1.694 -8.356
240 HZ PHE 38 HZ PHE 38 -3.088 -3.757 -9.032
241 H SER 39 H SER 39 0.819 2.129 -11.051
242 HA SER 39 HA SER 39 2.188 3.641 -12.986
243 1HB SER 39 2HB SER 39 3.190 2.544 -10.370
244 2HB SER 39 1HB SER 39 4.065 3.728 -11.324
245 HG SER 39 HG SER 39 2.605 5.214 -10.837
246 H ARG 40 H ARG 40 4.768 3.156 -13.274
247 HA ARG 40 HA ARG 40 4.822 0.559 -14.637
248 1HB ARG 40 2HB ARG 40 6.271 3.100 -14.852
249 2HB ARG 40 1HB ARG 40 7.281 1.677 -15.085
250 1HG ARG 40 2HG ARG 40 6.011 0.930 -16.923
251 2HG ARG 40 1HG ARG 40 4.627 1.934 -16.489
252 1HD ARG 40 2HD ARG 40 7.302 3.089 -17.311
253 2HD ARG 40 1HD ARG 40 5.995 2.784 -18.456
254 HE ARG 40 HE ARG 40 4.741 4.294 -16.551
255 1HH1 ARG 40 1HH1 ARG 40 7.462 5.364 -15.825
256 2HH1 ARG 40 2HH1 ARG 40 7.583 6.752 -16.855
257 1HH2 ARG 40 1HH2 ARG 40 4.999 5.760 -18.943
258 2HH2 ARG 40 2HH2 ARG 40 6.189 6.975 -18.619
259 H ALA 41 H ALA 41 6.053 -1.183 -13.907
260 HA ALA 41 HA ALA 41 6.863 -1.378 -11.224
261 1HB ALA 41 1HB ALA 41 8.638 -3.051 -12.576
262 2HB ALA 41 2HB ALA 41 7.249 -2.945 -13.658
263 3HB ALA 41 3HB ALA 41 7.033 -3.496 -11.996
264 H GLY 42 H GLY 42 9.393 -1.902 -10.723
265 1HA GLY 42 2HA GLY 42 11.477 -0.869 -10.386
266 2HA GLY 42 1HA GLY 42 11.384 -0.402 -12.084
267 H LYS 43 H LYS 43 8.905 0.487 -9.797
268 HA LYS 43 HA LYS 43 9.756 3.325 -10.078
269 1HB LYS 43 2HB LYS 43 7.496 2.905 -10.917
270 2HB LYS 43 1HB LYS 43 7.063 2.101 -9.411
271 1HG LYS 43 2HG LYS 43 6.211 4.413 -9.454
272 2HG LYS 43 1HG LYS 43 7.402 4.206 -8.179
273 1HD LYS 43 2HD LYS 43 9.149 5.121 -9.722
274 2HD LYS 43 1HD LYS 43 7.882 5.426 -10.911
275 1HE LYS 43 2HE LYS 43 7.241 6.472 -8.246
276 2HE LYS 43 1HE LYS 43 8.680 7.206 -8.955
277 1HZ LYS 43 1HZ LYS 43 6.241 8.049 -9.492
278 2HZ LYS 43 2HZ LYS 43 6.373 6.865 -10.704
279 3HZ LYS 43 3HZ LYS 43 7.501 8.135 -10.625
280 H ILE 44 H ILE 44 9.210 4.620 -7.931
281 HA ILE 44 HA ILE 44 10.127 2.848 -5.733
282 HB ILE 44 HB ILE 44 10.714 5.593 -6.498
283 1HG1 ILE 44 2HG1 ILE 44 12.398 3.847 -6.278
284 2HG1 ILE 44 1HG1 ILE 44 12.707 5.100 -5.075
285 1HG2 ILE 44 1HG2 ILE 44 9.770 5.011 -3.701
286 2HG2 ILE 44 2HG2 ILE 44 9.444 6.424 -4.704
287 3HG2 ILE 44 3HG2 ILE 44 11.038 6.206 -3.980
288 1HD1 ILE 44 1HD1 ILE 44 12.862 3.158 -3.783
289 2HD1 ILE 44 2HD1 ILE 44 11.585 2.340 -4.681
290 3HD1 ILE 44 3HD1 ILE 44 11.177 3.620 -3.538
291 H CYS 45 H CYS 45 8.288 1.983 -4.843
292 HA CYS 45 HA CYS 45 5.877 3.605 -4.419
293 1HB CYS 45 2HB CYS 45 6.323 0.903 -4.715
294 2HB CYS 45 1HB CYS 45 6.052 1.056 -2.991
295 H ARG 46 H ARG 46 8.761 3.644 -2.921
296 HA ARG 46 HA ARG 46 7.800 4.999 -0.611
297 1HB ARG 46 2HB ARG 46 7.426 2.294 -0.319
298 2HB ARG 46 1HB ARG 46 9.010 2.523 0.426
299 1HG ARG 46 2HG ARG 46 7.304 2.830 2.128
300 2HG ARG 46 1HG ARG 46 8.039 4.396 1.781
301 1HD ARG 46 2HD ARG 46 6.097 4.603 0.023
302 2HD ARG 46 1HD ARG 46 5.321 3.371 1.014
303 HE ARG 46 HE ARG 46 6.098 5.261 2.864
304 1HH1 ARG 46 1HH2 ARG 46 3.244 4.703 1.758
305 2HH1 ARG 46 2HH2 ARG 46 2.751 6.317 1.369
306 1HH2 ARG 46 1HH1 ARG 46 5.956 7.626 1.557
307 2HH2 ARG 46 2HH1 ARG 46 4.285 7.972 1.254
308 H ILE 47 H ILE 47 9.829 4.549 1.208
309 HA ILE 47 HA ILE 47 12.385 4.611 -0.268
310 HB ILE 47 HB ILE 47 11.662 6.929 -0.430
311 1HG1 ILE 47 2HG1 ILE 47 13.531 7.103 1.889
312 2HG1 ILE 47 1HG1 ILE 47 14.063 6.147 0.505
313 1HG2 ILE 47 1HG2 ILE 47 11.551 7.125 2.570
314 2HG2 ILE 47 2HG2 ILE 47 10.134 6.570 1.678
315 3HG2 ILE 47 3HG2 ILE 47 10.806 8.169 1.358
316 1HD1 ILE 47 1HD1 ILE 47 13.802 9.049 0.764
317 2HD1 ILE 47 2HD1 ILE 47 12.983 8.422 -0.666
318 3HD1 ILE 47 3HD1 ILE 47 14.701 8.106 -0.425
319 H ALA 48 H ALA 48 13.071 2.843 1.005
320 HA ALA 48 HA ALA 48 12.738 2.587 3.799
321 1HB ALA 48 1HB ALA 48 14.523 0.939 3.682
322 2HB ALA 48 2HB ALA 48 15.094 1.611 2.152
323 3HB ALA 48 3HB ALA 48 13.538 0.798 2.231
324 H ARG 49 H ARG 49 15.231 2.644 5.164
325 HA ARG 49 HA ARG 49 16.094 5.475 4.684
326 1HB ARG 49 2HB ARG 49 16.096 4.414 7.432
327 2HB ARG 49 1HB ARG 49 15.833 6.060 6.877
328 1HG ARG 49 2HG ARG 49 13.711 4.668 5.750
329 2HG ARG 49 1HG ARG 49 13.884 3.919 7.338
330 1HD ARG 49 2HD ARG 49 13.422 6.835 6.695
331 2HD ARG 49 1HD ARG 49 12.415 5.763 7.668
332 HE ARG 49 HE ARG 49 14.320 5.765 9.342
333 1HH1 ARG 49 1HH1 ARG 49 15.058 7.793 6.760
334 2HH1 ARG 49 2HH1 ARG 49 15.475 9.165 7.732
335 1HH2 ARG 49 1HH2 ARG 49 14.405 7.720 10.698
336 2HH2 ARG 49 2HH2 ARG 49 15.105 9.124 9.962
337 H GLY 50 H GLY 50 17.218 2.333 5.624
338 1HA GLY 50 2HA GLY 50 19.974 3.394 5.774
339 2HA GLY 50 1HA GLY 50 19.443 2.016 6.725
340 H ASP 51 H ASP 51 19.520 -0.029 5.774
341 HA ASP 51 HA ASP 51 20.304 -0.178 2.912
342 1HB ASP 51 2HB ASP 51 21.805 -0.988 5.206
343 2HB ASP 51 1HB ASP 51 21.370 -2.419 4.273
344 H TRP 52 H TRP 52 19.109 -1.634 1.720
345 HA TRP 52 HA TRP 52 17.970 -4.082 2.496
346 1HB TRP 52 2HB TRP 52 15.490 -2.953 2.749
347 2HB TRP 52 1HB TRP 52 16.502 -3.365 4.122
348 HD1 TRP 52 HD1 TRP 52 15.985 -1.461 5.714
349 HE1 TRP 52 HE1 TRP 52 16.315 1.070 5.655
350 HE3 TRP 52 HE3 TRP 52 17.142 -0.802 0.767
351 HZ2 TRP 52 HZ2 TRP 52 17.026 3.119 3.728
352 HZ3 TRP 52 HZ3 TRP 52 17.647 1.430 -0.122
353 HH2 TRP 52 HH2 TRP 52 17.579 3.404 1.373
354 H ASN 53 H ASN 53 15.364 -3.826 1.317
355 HA ASN 53 HA ASN 53 16.099 -3.102 -1.481
356 1HB ASN 53 2HB ASN 53 14.703 -5.349 -0.248
357 2HB ASN 53 1HB ASN 53 13.765 -4.600 -1.537
358 1HD2 ASN 53 1HD2 ASN 53 14.772 -4.514 -3.722
359 2HD2 ASN 53 2HD2 ASN 53 16.034 -5.576 -4.123
360 H ASP 54 H ASP 54 15.098 -1.214 -2.137
361 HA ASP 54 HA ASP 54 13.098 0.136 -0.615
362 1HB ASP 54 2HB ASP 54 14.460 0.507 -3.141
363 2HB ASP 54 1HB ASP 54 12.761 0.960 -3.275
364 H ASP 55 H ASP 55 10.842 0.649 -1.598
365 HA ASP 55 HA ASP 55 9.534 -1.935 -2.147
366 1HB ASP 55 2HB ASP 55 8.745 0.663 -1.066
367 2HB ASP 55 1HB ASP 55 7.548 -0.022 -2.163
368 H ARG 56 H ARG 56 10.930 -1.561 -4.346
369 HA ARG 56 HA ARG 56 10.169 0.174 -6.347
370 1HB ARG 56 2HB ARG 56 11.769 -2.021 -6.253
371 2HB ARG 56 1HB ARG 56 10.441 -2.631 -7.235
372 1HG ARG 56 2HG ARG 56 12.033 -1.655 -8.743
373 2HG ARG 56 1HG ARG 56 10.663 -0.546 -8.652
374 1HD ARG 56 2HD ARG 56 13.103 0.398 -8.425
375 2HD ARG 56 1HD ARG 56 11.834 1.008 -7.361
376 HE ARG 56 HE ARG 56 12.820 -0.213 -5.543
377 1HH1 ARG 56 1HH1 ARG 56 13.862 -1.763 -8.340
378 2HH1 ARG 56 2HH1 ARG 56 15.474 -2.064 -7.782
379 1HH2 ARG 56 1HH2 ARG 56 15.121 -0.152 -4.910
380 2HH2 ARG 56 2HH2 ARG 56 16.186 -1.152 -5.840
381 H CYS 57 H CYS 57 8.017 0.693 -6.671
382 HA CYS 57 HA CYS 57 5.762 -0.918 -6.353
383 1HB CYS 57 2HB CYS 57 5.891 0.832 -8.798
384 2HB CYS 57 1HB CYS 57 4.552 0.586 -7.685
385 H THR 58 H THR 58 4.934 -2.656 -7.449
386 HA THR 58 HA THR 58 6.594 -3.811 -9.588
387 HB THR 58 HB THR 58 5.523 -5.824 -9.135
388 HG1 THR 58 HG1 THR 58 3.399 -5.931 -8.431
389 1HG2 THR 58 1HG2 THR 58 5.437 -6.065 -6.780
390 2HG2 THR 58 2HG2 THR 58 4.871 -4.411 -6.548
391 3HG2 THR 58 3HG2 THR 58 6.537 -4.713 -7.041
392 H GLY 59 H GLY 59 5.460 -4.695 -11.565
393 1HA GLY 59 1HA GLY 59 3.978 -2.580 -12.865
394 2HA GLY 59 2HA GLY 59 4.323 -4.164 -13.554
395 H GLN 60 H GLN 60 2.988 -4.897 -10.674
396 HA GLN 60 HA GLN 60 0.190 -4.740 -11.718
397 1HB GLN 60 2HB GLN 60 1.678 -7.100 -10.566
398 2HB GLN 60 1HB GLN 60 -0.083 -7.020 -10.523
399 1HG GLN 60 2HG GLN 60 0.729 -6.279 -13.148
400 2HG GLN 60 1HG GLN 60 1.609 -7.747 -12.722
401 1HE2 GLN 60 1HE2 GLN 60 -1.746 -6.429 -12.454
402 2HE2 GLN 60 2HE2 GLN 60 -2.508 -7.908 -12.790
403 H SER 61 H SER 61 1.974 -3.358 -9.551
404 HA SER 61 HA SER 61 0.049 -3.771 -7.297
405 1HB SER 61 2HB SER 61 2.248 -4.447 -6.584
406 2HB SER 61 1HB SER 61 2.978 -2.998 -7.270
407 HG SER 61 HG SER 61 2.635 -2.848 -4.997
408 H ALA 62 H ALA 62 -0.693 -1.867 -6.213
409 HA ALA 62 HA ALA 62 -0.163 0.680 -7.703
410 1HB ALA 62 1HB ALA 62 -2.598 1.145 -6.652
411 2HB ALA 62 2HB ALA 62 -2.705 -0.606 -6.838
412 3HB ALA 62 3HB ALA 62 -2.375 0.410 -8.240
413 H ASP 63 H ASP 63 -0.636 -0.882 -4.577
414 HA ASP 63 HA ASP 63 -0.223 1.738 -3.225
415 1HB ASP 63 2HB ASP 63 -0.619 -0.906 -1.874
416 2HB ASP 63 1HB ASP 63 -0.844 0.706 -1.207
417 H CYS 64 H CYS 64 1.191 1.006 -1.001
418 HA CYS 64 HA CYS 64 3.682 -0.211 -2.101
419 1HB CYS 64 2HB CYS 64 3.611 2.252 -0.339
420 2HB CYS 64 1HB CYS 64 5.009 1.569 -1.186
421 HA PRO 65 HA PRO 65 3.391 -2.487 1.643
422 1HB PRO 65 2HB PRO 65 5.672 -3.933 1.171
423 2HB PRO 65 1HB PRO 65 4.119 -4.303 0.422
424 1HG PRO 65 2HG PRO 65 6.553 -3.071 -0.768
425 2HG PRO 65 1HG PRO 65 5.243 -3.960 -1.561
426 1HD PRO 65 2HD PRO 65 5.576 -1.151 -1.530
427 2HD PRO 65 1HD PRO 65 4.128 -2.035 -2.057
428 H ARG 66 H ARG 66 5.804 -3.347 2.933
429 HA ARG 66 HA ARG 66 7.538 -1.059 3.356
430 1HB ARG 66 2HB ARG 66 6.913 -0.838 5.797
431 2HB ARG 66 1HB ARG 66 5.685 -0.252 4.675
432 1HG ARG 66 2HG ARG 66 4.754 -2.697 4.828
433 2HG ARG 66 1HG ARG 66 5.692 -2.768 6.320
434 1HD ARG 66 2HD ARG 66 3.801 -0.484 5.765
435 2HD ARG 66 1HD ARG 66 3.239 -1.983 6.505
436 HE ARG 66 HE ARG 66 4.876 -1.535 8.354
437 1HH1 ARG 66 1HH2 ARG 66 2.728 0.621 8.262
438 2HH1 ARG 66 2HH2 ARG 66 3.684 2.056 8.427
439 1HH2 ARG 66 1HH1 ARG 66 6.675 0.471 7.669
440 2HH2 ARG 66 2HH1 ARG 66 5.920 1.971 8.093
441 H TYR 67 H TYR 67 9.489 -1.971 3.759
442 HA TYR 67 HA TYR 67 9.552 -4.670 4.953
443 1HB TYR 67 2HB TYR 67 11.325 -3.168 3.113
444 2HB TYR 67 1HB TYR 67 12.069 -4.366 4.166
445 HD1 TYR 67 HD1 TYR 67 9.960 -6.406 4.379
446 HD2 TYR 67 HD2 TYR 67 11.276 -4.147 0.970
447 HE1 TYR 67 HE1 TYR 67 9.162 -8.209 2.875
448 HE2 TYR 67 HE2 TYR 67 10.479 -5.951 -0.534
449 HH TYR 67 HH TYR 67 9.640 -8.009 -0.648
450 H HIS 68 HN HIS 68 10.897 -1.418 5.277
451 HA HIS 68 HA HIS 68 11.619 -2.100 8.090
452 1HB HIS 68 2HB HIS 68 13.645 -2.103 6.546
453 2HB HIS 68 1HB HIS 68 13.354 -0.383 6.298
454 HD1 HIS 68 HD1 HIS 68 12.370 -1.195 9.659
455 HD2 HIS 68 HD2 HIS 68 16.008 -0.391 7.791
456 HE1 HIS 68 HE1 HIS 68 14.000 -0.586 11.500
Start of MODEL 2
1 1H GLY 1 1HT GLY 1 -14.087 -15.179 -9.052
2 2H GLY 1 2HT GLY 1 -15.344 -14.134 -9.515
3 3H GLY 1 3HT GLY 1 -14.468 -13.834 -8.092
4 1HA GLY 1 1HA GLY 1 -12.986 -13.969 -10.613
5 2HA GLY 1 2HA GLY 1 -13.955 -12.530 -10.290
6 H LYS 2 H LYS 2 -13.304 -11.124 -8.624
7 HA LYS 2 HA LYS 2 -10.814 -11.874 -7.160
8 1HB LYS 2 2HB LYS 2 -10.046 -9.489 -7.503
9 2HB LYS 2 1HB LYS 2 -10.076 -10.464 -8.973
10 1HG LYS 2 2HG LYS 2 -12.649 -9.195 -8.500
11 2HG LYS 2 1HG LYS 2 -11.352 -8.002 -8.592
12 1HD LYS 2 2HD LYS 2 -10.584 -9.043 -10.720
13 2HD LYS 2 1HD LYS 2 -11.951 -10.155 -10.642
14 1HE LYS 2 2HE LYS 2 -12.575 -8.317 -12.087
15 2HE LYS 2 1HE LYS 2 -13.482 -8.157 -10.582
16 1HZ LYS 2 1HZ LYS 2 -12.459 -6.061 -11.353
17 2HZ LYS 2 2HZ LYS 2 -10.925 -6.759 -11.146
18 3HZ LYS 2 3HZ LYS 2 -11.942 -6.527 -9.805
19 H GLU 3 H GLU 3 -10.522 -9.510 -5.708
20 HA GLU 3 HA GLU 3 -13.107 -9.352 -4.207
21 1HB GLU 3 2HB GLU 3 -11.897 -9.298 -2.146
22 2HB GLU 3 1HB GLU 3 -11.207 -10.630 -3.072
23 1HG GLU 3 2HG GLU 3 -9.664 -8.559 -3.945
24 2HG GLU 3 1HG GLU 3 -9.989 -8.051 -2.287
25 H CYS 4 H CYS 4 -11.989 -7.378 -2.395
26 HA CYS 4 HA CYS 4 -12.749 -5.015 -3.744
27 1HB CYS 4 2HB CYS 4 -10.963 -5.349 -1.319
28 2HB CYS 4 1HB CYS 4 -11.637 -3.810 -1.852
29 H ASP 5 H ASP 5 -11.737 -4.383 -5.567
30 HA ASP 5 HA ASP 5 -8.920 -4.762 -6.074
31 1HB ASP 5 2HB ASP 5 -10.738 -4.591 -7.829
32 2HB ASP 5 1HB ASP 5 -10.811 -2.862 -7.486
33 H CYS 6 H CYS 6 -10.645 -2.497 -4.229
34 HA CYS 6 HA CYS 6 -8.235 -0.742 -4.151
35 1HB CYS 6 2HB CYS 6 -9.529 1.247 -4.259
36 2HB CYS 6 1HB CYS 6 -10.188 0.220 -5.531
37 H SER 7 H SER 7 -8.388 0.728 -2.118
38 HA SER 7 HA SER 7 -9.529 -0.902 0.115
39 1HB SER 7 2HB SER 7 -7.723 -0.071 1.512
40 2HB SER 7 1HB SER 7 -7.023 -0.743 0.042
41 HG SER 7 HG SER 7 -7.298 1.578 -0.716
42 H SER 8 H SER 8 -10.604 1.460 -1.569
43 HA SER 8 HA SER 8 -11.570 2.994 0.781
44 1HB SER 8 2HB SER 8 -11.283 4.913 -1.240
45 2HB SER 8 1HB SER 8 -10.307 4.776 0.220
46 HG SER 8 HG SER 8 -8.782 3.713 -0.887
47 HA PRO 9 HA PRO 9 -15.299 2.348 -1.558
48 1HB PRO 9 2HB PRO 9 -16.961 3.668 0.190
49 2HB PRO 9 1HB PRO 9 -16.359 2.025 0.464
50 1HG PRO 9 2HG PRO 9 -15.529 4.568 1.776
51 2HG PRO 9 1HG PRO 9 -15.435 2.908 2.387
52 1HD PRO 9 2HD PRO 9 -13.283 4.417 1.323
53 2HD PRO 9 1HD PRO 9 -13.278 2.671 1.655
54 H GLU 10 H GLU 10 -14.299 5.533 -0.364
55 HA GLU 10 HA GLU 10 -16.090 6.950 -2.213
56 1HB GLU 10 2HB GLU 10 -15.418 7.819 0.079
57 2HB GLU 10 1HB GLU 10 -13.808 8.100 -0.585
58 1HG GLU 10 2HG GLU 10 -15.325 9.288 -2.497
59 2HG GLU 10 1HG GLU 10 -16.338 9.565 -1.079
60 H ASN 11 H ASN 11 -13.574 5.141 -2.907
61 HA ASN 11 HA ASN 11 -11.938 7.012 -4.423
62 1HB ASN 11 2HB ASN 11 -10.709 5.188 -3.582
63 2HB ASN 11 1HB ASN 11 -11.956 4.028 -4.034
64 1HD2 ASN 11 1HD2 ASN 11 -10.752 2.707 -5.473
65 2HD2 ASN 11 2HD2 ASN 11 -10.035 3.287 -6.895
66 HA PRO 12 HA PRO 12 -14.607 6.701 -7.987
67 1HB PRO 12 2HB PRO 12 -13.078 8.315 -9.604
68 2HB PRO 12 1HB PRO 12 -14.167 8.939 -8.352
69 1HG PRO 12 2HG PRO 12 -11.190 8.764 -8.333
70 2HG PRO 12 1HG PRO 12 -12.253 9.887 -7.471
71 1HD PRO 12 2HD PRO 12 -10.982 7.620 -6.351
72 2HD PRO 12 1HD PRO 12 -12.297 8.551 -5.608
73 H CYS 13 H CYS 13 -13.770 4.364 -8.067
74 HA CYS 13 HA CYS 13 -12.728 3.732 -10.641
75 1HB CYS 13 2HB CYS 13 -10.723 4.677 -9.080
76 2HB CYS 13 1HB CYS 13 -10.644 2.954 -8.735
77 H CYS 14 H CYS 14 -13.377 2.753 -7.339
78 HA CYS 14 HA CYS 14 -13.777 -0.019 -8.382
79 1HB CYS 14 2HB CYS 14 -13.224 -0.824 -6.102
80 2HB CYS 14 1HB CYS 14 -11.879 0.045 -6.841
81 H ASP 15 H ASP 15 -15.958 -0.152 -8.639
82 HA ASP 15 HA ASP 15 -18.036 1.207 -7.491
83 1HB ASP 15 2HB ASP 15 -17.934 -0.943 -9.073
84 2HB ASP 15 1HB ASP 15 -18.367 -1.734 -7.565
85 H ALA 16 H ALA 16 -18.835 1.475 -5.459
86 HA ALA 16 HA ALA 16 -17.525 0.232 -3.207
87 1HB ALA 16 1HB ALA 16 -18.683 2.561 -3.369
88 2HB ALA 16 2HB ALA 16 -18.834 1.647 -1.869
89 3HB ALA 16 3HB ALA 16 -20.163 1.666 -3.028
90 H ALA 17 H ALA 17 -20.442 -0.416 -5.038
91 HA ALA 17 HA ALA 17 -21.813 -2.047 -3.154
92 1HB ALA 17 1HB ALA 17 -21.809 -1.748 -6.116
93 2HB ALA 17 2HB ALA 17 -23.159 -1.694 -4.982
94 3HB ALA 17 3HB ALA 17 -22.484 -3.247 -5.475
95 H THR 18 H THR 18 -18.927 -2.593 -4.980
96 HA THR 18 HA THR 18 -18.694 -5.274 -3.735
97 HB THR 18 HB THR 18 -19.500 -5.966 -5.847
98 HG1 THR 18 HG1 THR 18 -17.598 -6.734 -6.900
99 1HG2 THR 18 1HG2 THR 18 -19.232 -3.558 -6.762
100 2HG2 THR 18 2HG2 THR 18 -19.072 -4.893 -7.903
101 3HG2 THR 18 3HG2 THR 18 -17.632 -4.087 -7.284
102 H CYS 19 H CYS 19 -17.468 -2.447 -3.694
103 HA CYS 19 HA CYS 19 -15.324 -1.447 -3.742
104 1HB CYS 19 2HB CYS 19 -13.785 -2.629 -2.217
105 2HB CYS 19 1HB CYS 19 -15.426 -2.611 -1.576
106 H LYS 20 H LYS 20 -15.878 -3.129 -6.152
107 HA LYS 20 HA LYS 20 -13.062 -3.956 -6.737
108 1HB LYS 20 2HB LYS 20 -15.698 -4.974 -7.804
109 2HB LYS 20 1HB LYS 20 -14.168 -5.287 -8.625
110 1HG LYS 20 2HG LYS 20 -13.594 -5.930 -5.996
111 2HG LYS 20 1HG LYS 20 -15.251 -6.503 -6.184
112 1HD LYS 20 2HD LYS 20 -13.663 -7.147 -8.527
113 2HD LYS 20 1HD LYS 20 -12.928 -7.807 -7.067
114 1HE LYS 20 2HE LYS 20 -14.412 -9.503 -7.331
115 2HE LYS 20 1HE LYS 20 -15.583 -8.371 -6.655
116 1HZ LYS 20 1HZ LYS 20 -16.332 -9.341 -8.756
117 2HZ LYS 20 2HZ LYS 20 -14.980 -8.684 -9.547
118 3HZ LYS 20 3HZ LYS 20 -16.156 -7.658 -8.872
119 H LEU 21 H LEU 21 -12.354 -3.516 -9.002
120 HA LEU 21 HA LEU 21 -12.801 -0.812 -9.745
121 1HB LEU 21 2HB LEU 21 -11.603 -3.180 -11.145
122 2HB LEU 21 1HB LEU 21 -11.881 -1.691 -12.046
123 HG LEU 21 HG LEU 21 -10.376 -1.772 -9.424
124 1HD1 LEU 21 1HD1 LEU 21 -8.700 -1.233 -11.670
125 2HD1 LEU 21 2HD1 LEU 21 -9.557 -2.744 -11.970
126 3HD1 LEU 21 3HD1 LEU 21 -8.579 -2.557 -10.514
127 1HD2 LEU 21 1HD2 LEU 21 -10.578 0.457 -9.625
128 2HD2 LEU 21 2HD2 LEU 21 -11.306 0.300 -11.223
129 3HD2 LEU 21 3HD2 LEU 21 -9.551 0.347 -11.054
130 H ARG 22 H ARG 22 -14.501 0.105 -10.750
131 HA ARG 22 HA ARG 22 -16.551 -1.638 -11.957
132 1HB ARG 22 2HB ARG 22 -17.365 0.118 -10.490
133 2HB ARG 22 1HB ARG 22 -16.538 1.347 -11.438
134 1HG ARG 22 2HG ARG 22 -18.161 -0.267 -13.182
135 2HG ARG 22 1HG ARG 22 -19.146 0.338 -11.849
136 1HD ARG 22 2HD ARG 22 -17.403 2.436 -12.764
137 2HD ARG 22 1HD ARG 22 -18.280 1.767 -14.140
138 HE ARG 22 HE ARG 22 -20.387 2.204 -12.801
139 1HH1 ARG 22 1HH1 ARG 22 -17.818 4.336 -13.089
140 2HH1 ARG 22 2HH1 ARG 22 -18.383 5.459 -11.898
141 1HH2 ARG 22 1HH2 ARG 22 -20.965 3.415 -10.814
142 2HH2 ARG 22 2HH2 ARG 22 -20.166 4.938 -10.610
143 HA PRO 23 HA PRO 23 -15.310 1.001 -15.729
144 1HB PRO 23 2HB PRO 23 -13.033 2.523 -15.547
145 2HB PRO 23 1HB PRO 23 -14.642 3.124 -15.115
146 1HG PRO 23 2HG PRO 23 -12.389 2.365 -13.329
147 2HG PRO 23 1HG PRO 23 -13.742 3.465 -13.021
148 1HD PRO 23 2HD PRO 23 -13.492 0.780 -12.104
149 2HD PRO 23 1HD PRO 23 -14.930 1.813 -11.986
150 H GLY 24 H GLY 24 -12.932 1.240 -17.099
151 1HA GLY 24 2HA GLY 24 -11.925 -1.530 -17.038
152 2HA GLY 24 1HA GLY 24 -11.560 -0.324 -18.272
153 H ALA 25 H ALA 25 -11.268 0.876 -15.100
154 HA ALA 25 HA ALA 25 -8.507 1.471 -15.342
155 1HB ALA 25 1HB ALA 25 -9.872 2.721 -13.789
156 2HB ALA 25 2HB ALA 25 -8.636 1.881 -12.852
157 3HB ALA 25 3HB ALA 25 -10.284 1.256 -12.897
158 H GLN 26 H GLN 26 -6.684 0.303 -14.847
159 HA GLN 26 HA GLN 26 -6.926 -2.535 -14.373
160 1HB GLN 26 2HB GLN 26 -4.755 -0.602 -14.821
161 2HB GLN 26 1HB GLN 26 -4.306 -2.010 -13.863
162 1HG GLN 26 2HG GLN 26 -3.961 -2.891 -15.963
163 2HG GLN 26 1HG GLN 26 -5.678 -3.260 -15.793
164 1HE2 GLN 26 1HE2 GLN 26 -7.096 -2.309 -17.300
165 2HE2 GLN 26 2HE2 GLN 26 -6.638 -1.122 -18.423
166 H CYS 27 H CYS 27 -6.838 0.194 -12.337
167 HA CYS 27 HA CYS 27 -7.079 -1.454 -9.980
168 1HB CYS 27 2HB CYS 27 -5.102 -0.630 -8.795
169 2HB CYS 27 1HB CYS 27 -4.603 -1.446 -10.277
170 H GLY 28 H GLY 28 -8.063 -0.302 -8.321
171 1HA GLY 28 2HA GLY 28 -8.982 2.379 -9.110
172 2HA GLY 28 1HA GLY 28 -9.638 1.419 -7.787
173 H GLU 29 H GLU 29 -6.880 0.891 -6.724
174 HA GLU 29 HA GLU 29 -5.697 3.454 -6.120
175 1HB GLU 29 2HB GLU 29 -7.941 3.436 -4.852
176 2HB GLU 29 1HB GLU 29 -7.195 2.226 -3.810
177 1HG GLU 29 2HG GLU 29 -5.279 3.836 -3.465
178 2HG GLU 29 1HG GLU 29 -6.232 5.051 -4.315
179 H GLY 30 H GLY 30 -3.713 3.174 -5.169
180 1HA GLY 30 2HA GLY 30 -2.957 0.976 -3.517
181 2HA GLY 30 1HA GLY 30 -2.461 0.644 -5.177
182 H LEU 31 H LEU 31 -0.379 0.891 -3.499
183 HA LEU 31 HA LEU 31 0.502 3.599 -3.059
184 1HB LEU 31 2HB LEU 31 1.496 0.969 -2.541
185 2HB LEU 31 1HB LEU 31 2.765 1.931 -3.284
186 HG LEU 31 HG LEU 31 1.164 2.617 -0.810
187 1HD1 LEU 31 1HD1 LEU 31 4.027 2.841 -0.609
188 2HD1 LEU 31 2HD1 LEU 31 3.605 1.246 -1.234
189 3HD1 LEU 31 3HD1 LEU 31 2.938 1.798 0.303
190 1HD2 LEU 31 1HD2 LEU 31 2.950 4.596 -0.934
191 2HD2 LEU 31 2HD2 LEU 31 1.387 4.727 -1.740
192 3HD2 LEU 31 3HD2 LEU 31 2.821 4.281 -2.665
193 H CYS 32 H CYS 32 1.347 1.165 -5.527
194 HA CYS 32 HA CYS 32 2.540 3.392 -7.111
195 1HB CYS 32 2HB CYS 32 3.227 0.526 -6.761
196 2HB CYS 32 1HB CYS 32 3.442 1.193 -8.377
197 H CYS 33 H CYS 33 0.114 3.765 -7.588
198 HA CYS 33 HA CYS 33 -0.461 2.377 -10.151
199 1HB CYS 33 2HB CYS 33 -1.948 1.943 -7.752
200 2HB CYS 33 1HB CYS 33 -2.967 2.866 -8.858
201 H GLU 34 H GLU 34 -0.461 4.014 -11.592
202 HA GLU 34 HA GLU 34 -0.751 6.763 -10.965
203 1HB GLU 34 2HB GLU 34 0.096 5.483 -13.135
204 2HB GLU 34 1HB GLU 34 -1.553 5.805 -13.655
205 1HG GLU 34 2HG GLU 34 -0.813 7.853 -14.261
206 2HG GLU 34 1HG GLU 34 -0.780 8.215 -12.536
207 H GLN 35 H GLN 35 -2.648 7.808 -12.739
208 HA GLN 35 HA GLN 35 -5.010 7.772 -11.177
209 1HB GLN 35 2HB GLN 35 -4.103 9.032 -13.590
210 2HB GLN 35 1HB GLN 35 -5.723 8.394 -13.863
211 1HG GLN 35 2HG GLN 35 -5.607 9.598 -11.249
212 2HG GLN 35 1HG GLN 35 -5.015 10.748 -12.450
213 1HE2 GLN 35 1HE2 GLN 35 -7.664 8.277 -12.375
214 2HE2 GLN 35 2HE2 GLN 35 -8.847 9.324 -12.995
215 H CYS 36 H CYS 36 -5.586 5.572 -10.815
216 HA CYS 36 HA CYS 36 -6.669 3.552 -11.280
217 1HB CYS 36 2HB CYS 36 -7.848 5.395 -13.365
218 2HB CYS 36 1HB CYS 36 -8.366 3.721 -13.192
219 H LYS 37 H LYS 37 -4.087 3.544 -12.190
220 HA LYS 37 HA LYS 37 -4.294 1.732 -14.498
221 1HB LYS 37 2HB LYS 37 -3.638 4.456 -14.910
222 2HB LYS 37 1HB LYS 37 -2.126 3.557 -15.051
223 1HG LYS 37 2HG LYS 37 -2.960 2.197 -16.796
224 2HG LYS 37 1HG LYS 37 -4.635 2.624 -16.444
225 1HD LYS 37 2HD LYS 37 -4.057 5.009 -17.076
226 2HD LYS 37 1HD LYS 37 -2.504 4.403 -17.653
227 1HE LYS 37 2HE LYS 37 -4.314 2.664 -18.822
228 2HE LYS 37 1HE LYS 37 -5.154 4.214 -18.892
229 1HZ LYS 37 1HZ LYS 37 -3.907 4.385 -20.759
230 2HZ LYS 37 2HZ LYS 37 -2.664 3.385 -20.176
231 3HZ LYS 37 3HZ LYS 37 -2.773 5.000 -19.659
232 H PHE 38 H PHE 38 -2.471 0.327 -14.619
233 HA PHE 38 HA PHE 38 -1.072 -0.098 -12.148
234 1HB PHE 38 2HB PHE 38 -0.937 -1.258 -14.900
235 2HB PHE 38 1HB PHE 38 0.423 -1.543 -13.816
236 HD1 PHE 38 HD1 PHE 38 -2.351 -3.119 -14.938
237 HD2 PHE 38 HD2 PHE 38 -0.651 -1.848 -11.204
238 HE1 PHE 38 HE1 PHE 38 -3.643 -4.873 -13.751
239 HE2 PHE 38 HE2 PHE 38 -1.942 -3.600 -10.017
240 HZ PHE 38 HZ PHE 38 -3.438 -5.114 -11.290
241 H SER 39 H SER 39 0.646 1.035 -11.400
242 HA SER 39 HA SER 39 2.005 3.045 -12.893
243 1HB SER 39 2HB SER 39 3.528 3.166 -11.039
244 2HB SER 39 1HB SER 39 1.959 2.758 -10.351
245 HG SER 39 HG SER 39 4.175 1.075 -10.869
246 H ARG 40 H ARG 40 4.480 2.875 -13.338
247 HA ARG 40 HA ARG 40 4.903 0.363 -14.812
248 1HB ARG 40 2HB ARG 40 5.610 3.108 -15.242
249 2HB ARG 40 1HB ARG 40 7.074 2.126 -15.222
250 1HG ARG 40 2HG ARG 40 6.595 1.424 -17.304
251 2HG ARG 40 1HG ARG 40 5.131 0.664 -16.680
252 1HD ARG 40 2HD ARG 40 4.272 3.214 -16.783
253 2HD ARG 40 1HD ARG 40 5.462 3.268 -18.084
254 HE ARG 40 HE ARG 40 2.922 2.182 -18.414
255 1HH1 ARG 40 1HH2 ARG 40 5.706 2.069 -20.046
256 2HH1 ARG 40 2HH2 ARG 40 5.596 0.431 -20.597
257 1HH2 ARG 40 1HH1 ARG 40 2.964 -0.379 -18.489
258 2HH2 ARG 40 2HH1 ARG 40 4.042 -0.956 -19.716
259 H ALA 41 H ALA 41 6.595 -1.053 -14.302
260 HA ALA 41 HA ALA 41 7.522 -1.295 -11.687
261 1HB ALA 41 1HB ALA 41 8.069 -3.177 -12.909
262 2HB ALA 41 2HB ALA 41 9.633 -2.365 -12.968
263 3HB ALA 41 3HB ALA 41 8.525 -2.244 -14.335
264 H GLY 42 H GLY 42 9.894 -1.015 -10.955
265 1HA GLY 42 2HA GLY 42 11.714 0.419 -10.570
266 2HA GLY 42 1HA GLY 42 11.411 1.128 -12.152
267 H LYS 43 H LYS 43 8.881 0.880 -9.725
268 HA LYS 43 HA LYS 43 8.965 3.846 -9.551
269 1HB LYS 43 2HB LYS 43 6.864 3.062 -10.480
270 2HB LYS 43 1HB LYS 43 6.649 1.950 -9.125
271 1HG LYS 43 2HG LYS 43 5.317 3.940 -8.701
272 2HG LYS 43 1HG LYS 43 6.671 3.911 -7.575
273 1HD LYS 43 2HD LYS 43 6.755 6.116 -8.335
274 2HD LYS 43 1HD LYS 43 7.883 5.327 -9.436
275 1HE LYS 43 2HE LYS 43 6.367 5.347 -11.216
276 2HE LYS 43 1HE LYS 43 4.969 5.489 -10.152
277 1HZ LYS 43 1HZ LYS 43 6.909 7.654 -10.045
278 2HZ LYS 43 2HZ LYS 43 5.212 7.707 -9.967
279 3HZ LYS 43 3HZ LYS 43 5.992 7.542 -11.467
280 H ILE 44 H ILE 44 9.218 4.800 -7.584
281 HA ILE 44 HA ILE 44 9.992 3.081 -5.368
282 HB ILE 44 HB ILE 44 11.251 5.087 -5.740
283 1HG1 ILE 44 2HG1 ILE 44 10.817 6.329 -3.555
284 2HG1 ILE 44 1HG1 ILE 44 9.446 5.244 -3.314
285 1HG2 ILE 44 1HG2 ILE 44 10.125 6.750 -6.761
286 2HG2 ILE 44 2HG2 ILE 44 9.596 7.225 -5.146
287 3HG2 ILE 44 3HG2 ILE 44 8.573 6.187 -6.141
288 1HD1 ILE 44 1HD1 ILE 44 11.819 4.613 -2.341
289 2HD1 ILE 44 2HD1 ILE 44 12.122 4.076 -3.993
290 3HD1 ILE 44 3HD1 ILE 44 10.799 3.370 -3.064
291 H CYS 45 H CYS 45 8.218 2.050 -4.436
292 HA CYS 45 HA CYS 45 5.716 3.487 -3.871
293 1HB CYS 45 2HB CYS 45 5.239 1.345 -2.508
294 2HB CYS 45 1HB CYS 45 5.351 1.190 -4.253
295 H ARG 46 H ARG 46 8.713 3.620 -2.521
296 HA ARG 46 HA ARG 46 7.794 4.946 -0.141
297 1HB ARG 46 2HB ARG 46 8.353 2.046 0.010
298 2HB ARG 46 1HB ARG 46 9.146 3.025 1.245
299 1HG ARG 46 2HG ARG 46 6.603 4.093 1.183
300 2HG ARG 46 1HG ARG 46 6.303 2.375 0.920
301 1HD ARG 46 2HD ARG 46 6.816 1.874 3.060
302 2HD ARG 46 1HD ARG 46 8.314 2.802 2.981
303 HE ARG 46 HE ARG 46 5.678 3.852 3.842
304 1HH1 ARG 46 1HH2 ARG 46 8.219 3.921 5.487
305 2HH1 ARG 46 2HH2 ARG 46 8.698 5.577 5.311
306 1HH2 ARG 46 1HH1 ARG 46 6.635 6.160 2.586
307 2HH2 ARG 46 2HH1 ARG 46 7.801 6.845 3.669
308 H ILE 47 H ILE 47 9.340 6.513 -0.162
309 HA ILE 47 HA ILE 47 12.053 5.964 -1.100
310 HB ILE 47 HB ILE 47 10.950 8.139 -1.526
311 1HG1 ILE 47 2HG1 ILE 47 12.857 9.567 -0.487
312 2HG1 ILE 47 1HG1 ILE 47 13.466 8.033 0.136
313 1HG2 ILE 47 1HG2 ILE 47 11.355 9.265 1.113
314 2HG2 ILE 47 2HG2 ILE 47 10.237 7.903 1.191
315 3HG2 ILE 47 3HG2 ILE 47 9.898 9.264 0.120
316 1HD1 ILE 47 1HD1 ILE 47 14.222 7.397 -1.894
317 2HD1 ILE 47 2HD1 ILE 47 13.963 9.068 -2.397
318 3HD1 ILE 47 3HD1 ILE 47 12.712 7.858 -2.681
319 H ALA 48 H ALA 48 13.329 4.779 0.268
320 HA ALA 48 HA ALA 48 13.046 4.619 3.081
321 1HB ALA 48 1HB ALA 48 14.703 3.453 1.169
322 2HB ALA 48 2HB ALA 48 14.741 3.137 2.904
323 3HB ALA 48 3HB ALA 48 15.818 4.347 2.204
324 H ARG 49 H ARG 49 13.542 6.045 4.655
325 HA ARG 49 HA ARG 49 15.448 8.259 4.027
326 1HB ARG 49 2HB ARG 49 12.962 8.367 5.694
327 2HB ARG 49 1HB ARG 49 14.046 9.722 5.399
328 1HG ARG 49 2HG ARG 49 13.203 10.090 3.317
329 2HG ARG 49 1HG ARG 49 13.094 8.366 2.959
330 1HD ARG 49 2HD ARG 49 10.849 9.407 3.065
331 2HD ARG 49 1HD ARG 49 11.059 8.194 4.329
332 HE ARG 49 HE ARG 49 11.299 10.010 5.953
333 1HH1 ARG 49 1HH1 ARG 49 9.318 10.531 3.325
334 2HH1 ARG 49 2HH1 ARG 49 9.229 12.253 3.495
335 1HH2 ARG 49 1HH2 ARG 49 11.691 12.406 5.932
336 2HH2 ARG 49 2HH2 ARG 49 10.573 13.315 4.969
337 H GLY 50 H GLY 50 16.604 6.119 5.194
338 1HA GLY 50 2HA GLY 50 17.549 7.088 7.690
339 2HA GLY 50 1HA GLY 50 16.331 5.856 8.008
340 H ASP 51 H ASP 51 19.018 6.227 5.675
341 HA ASP 51 HA ASP 51 20.615 4.657 4.981
342 1HB ASP 51 2HB ASP 51 20.774 5.036 7.758
343 2HB ASP 51 1HB ASP 51 20.917 3.299 7.495
344 H TRP 52 H TRP 52 19.001 3.421 3.730
345 HA TRP 52 HA TRP 52 19.176 0.657 4.223
346 1HB TRP 52 2HB TRP 52 16.578 0.332 4.572
347 2HB TRP 52 1HB TRP 52 17.658 0.535 5.943
348 HD1 TRP 52 HD1 TRP 52 16.534 3.479 3.740
349 HE1 TRP 52 HE1 TRP 52 15.103 5.044 5.167
350 HE3 TRP 52 HE3 TRP 52 16.193 0.734 8.033
351 HZ2 TRP 52 HZ2 TRP 52 13.964 5.167 7.778
352 HZ3 TRP 52 HZ3 TRP 52 14.928 1.607 9.977
353 HH2 TRP 52 HH2 TRP 52 13.814 3.820 9.853
354 H ASN 53 H ASN 53 17.816 -0.619 2.684
355 HA ASN 53 HA ASN 53 17.970 0.495 0.077
356 1HB ASN 53 2HB ASN 53 17.457 -2.030 1.187
357 2HB ASN 53 1HB ASN 53 16.026 -1.652 0.229
358 1HD2 ASN 53 1HD2 ASN 53 16.459 -2.969 -1.610
359 2HD2 ASN 53 2HD2 ASN 53 17.820 -2.762 -2.603
360 H ASP 54 H ASP 54 16.060 0.578 -1.457
361 HA ASP 54 HA ASP 54 13.806 2.032 -0.141
362 1HB ASP 54 2HB ASP 54 13.493 2.779 -2.664
363 2HB ASP 54 1HB ASP 54 14.693 3.572 -1.645
364 H ASP 55 H ASP 55 11.837 1.890 -1.937
365 HA ASP 55 HA ASP 55 11.466 -1.029 -2.437
366 1HB ASP 55 2HB ASP 55 9.247 0.880 -1.812
367 2HB ASP 55 1HB ASP 55 9.212 -0.877 -1.746
368 H ARG 56 H ARG 56 11.182 -1.491 -4.556
369 HA ARG 56 HA ARG 56 10.308 0.673 -6.422
370 1HB ARG 56 2HB ARG 56 12.445 -1.040 -6.589
371 2HB ARG 56 1HB ARG 56 11.224 -1.918 -7.506
372 1HG ARG 56 2HG ARG 56 12.308 -0.517 -9.088
373 2HG ARG 56 1HG ARG 56 10.779 0.286 -8.727
374 1HD ARG 56 2HD ARG 56 12.763 1.835 -8.726
375 2HD ARG 56 1HD ARG 56 11.870 1.820 -7.206
376 HE ARG 56 HE ARG 56 13.721 0.731 -6.168
377 1HH1 ARG 56 1HH1 ARG 56 15.440 2.502 -7.781
378 2HH1 ARG 56 2HH1 ARG 56 16.493 1.390 -8.590
379 1HH2 ARG 56 1HH2 ARG 56 14.480 -1.369 -7.992
380 2HH2 ARG 56 2HH2 ARG 56 15.949 -0.800 -8.710
381 H CYS 57 H CYS 57 8.732 0.046 -8.058
382 HA CYS 57 HA CYS 57 6.919 -2.113 -7.084
383 1HB CYS 57 2HB CYS 57 6.063 0.209 -8.814
384 2HB CYS 57 1HB CYS 57 5.062 -0.832 -7.798
385 H THR 58 H THR 58 5.694 -3.169 -8.907
386 HA THR 58 HA THR 58 7.563 -3.652 -11.150
387 HB THR 58 HB THR 58 6.300 -5.649 -11.557
388 HG1 THR 58 HG1 THR 58 4.360 -5.862 -10.057
389 1HG2 THR 58 1HG2 THR 58 5.918 -5.826 -8.672
390 2HG2 THR 58 2HG2 THR 58 7.465 -5.089 -9.088
391 3HG2 THR 58 3HG2 THR 58 7.057 -6.690 -9.705
392 H GLY 59 H GLY 59 6.196 -4.180 -13.302
393 1HA GLY 59 2HA GLY 59 4.844 -1.643 -13.945
394 2HA GLY 59 1HA GLY 59 5.317 -2.888 -15.101
395 H GLN 60 H GLN 60 3.794 -4.361 -12.507
396 HA GLN 60 HA GLN 60 1.066 -4.028 -13.644
397 1HB GLN 60 2HB GLN 60 1.975 -6.807 -12.999
398 2HB GLN 60 1HB GLN 60 0.761 -6.267 -14.159
399 1HG GLN 60 2HG GLN 60 2.655 -5.281 -15.529
400 2HG GLN 60 1HG GLN 60 3.772 -6.111 -14.444
401 1HE2 GLN 60 1HE2 GLN 60 4.105 -7.047 -16.902
402 2HE2 GLN 60 2HE2 GLN 60 3.287 -8.507 -17.182
403 H SER 61 H SER 61 2.708 -3.512 -11.043
404 HA SER 61 HA SER 61 0.797 -4.892 -9.199
405 1HB SER 61 2HB SER 61 2.972 -5.619 -8.598
406 2HB SER 61 1HB SER 61 3.664 -4.018 -8.838
407 HG SER 61 HG SER 61 3.384 -4.035 -6.714
408 H ALA 62 H ALA 62 -0.400 -3.616 -7.809
409 HA ALA 62 HA ALA 62 -0.063 -0.666 -8.132
410 1HB ALA 62 1HB ALA 62 -2.263 -1.697 -8.790
411 2HB ALA 62 2HB ALA 62 -2.398 -0.463 -7.537
412 3HB ALA 62 3HB ALA 62 -2.484 -2.171 -7.106
413 H ASP 63 H ASP 63 0.156 -3.270 -5.891
414 HA ASP 63 HA ASP 63 0.220 -1.349 -3.608
415 1HB ASP 63 2HB ASP 63 0.333 -4.267 -3.128
416 2HB ASP 63 1HB ASP 63 -0.503 -3.017 -2.217
417 H CYS 64 H CYS 64 2.006 -1.682 -2.033
418 HA CYS 64 HA CYS 64 4.442 -2.673 -3.447
419 1HB CYS 64 2HB CYS 64 4.455 -0.274 -2.955
420 2HB CYS 64 1HB CYS 64 4.216 -0.605 -1.246
421 HA PRO 65 HA PRO 65 4.335 -5.699 -0.199
422 1HB PRO 65 2HB PRO 65 5.969 -7.414 -1.571
423 2HB PRO 65 1HB PRO 65 4.232 -7.305 -1.853
424 1HG PRO 65 2HG PRO 65 6.479 -6.386 -3.551
425 2HG PRO 65 1HG PRO 65 4.801 -6.726 -4.005
426 1HD PRO 65 2HD PRO 65 5.983 -4.158 -3.563
427 2HD PRO 65 1HD PRO 65 4.273 -4.505 -3.882
428 H ARG 66 H ARG 66 6.006 -3.480 0.253
429 HA ARG 66 HA ARG 66 8.513 -4.823 1.081
430 1HB ARG 66 2HB ARG 66 8.330 -2.016 -0.044
431 2HB ARG 66 1HB ARG 66 9.801 -2.819 0.507
432 1HG ARG 66 2HG ARG 66 8.052 -3.948 -1.689
433 2HG ARG 66 1HG ARG 66 9.405 -2.863 -2.010
434 1HD ARG 66 2HD ARG 66 10.975 -4.408 -1.029
435 2HD ARG 66 1HD ARG 66 9.671 -5.435 -0.433
436 HE ARG 66 HE ARG 66 9.218 -6.095 -2.754
437 1HH1 ARG 66 1HH2 ARG 66 11.337 -3.497 -2.927
438 2HH1 ARG 66 2HH2 ARG 66 12.406 -4.219 -4.084
439 1HH2 ARG 66 1HH1 ARG 66 10.891 -7.335 -3.934
440 2HH2 ARG 66 2HH1 ARG 66 12.152 -6.391 -4.654
441 H TYR 67 H TYR 67 9.558 -2.421 2.311
442 HA TYR 67 HA TYR 67 7.518 -1.612 4.256
443 1HB TYR 67 2HB TYR 67 9.555 -2.196 5.987
444 2HB TYR 67 1HB TYR 67 8.168 -3.245 5.704
445 HD1 TYR 67 HD1 TYR 67 11.732 -2.952 5.508
446 HD2 TYR 67 HD2 TYR 67 8.358 -4.970 3.778
447 HE1 TYR 67 HE1 TYR 67 13.239 -4.710 4.621
448 HE2 TYR 67 HE2 TYR 67 9.866 -6.728 2.889
449 HH TYR 67 HH TYR 67 12.652 -7.444 3.906
450 H HIS 68 HN HIS 68 11.092 -1.565 4.058
451 HA HIS 68 HA HIS 68 10.914 1.417 4.233
452 1HB HIS 68 2HB HIS 68 13.325 -0.229 5.007
453 2HB HIS 68 1HB HIS 68 12.946 1.434 5.459
454 HD1 HIS 68 HD1 HIS 68 10.418 1.520 6.783
455 HD2 HIS 68 HD2 HIS 68 12.729 -1.938 7.080
456 HE1 HIS 68 HE1 HIS 68 9.581 0.272 8.822
Start of MODEL 3
1 1H GLY 1 1HT GLY 1 -12.726 -15.616 -2.250
2 2H GLY 1 2HT GLY 1 -11.180 -15.595 -2.955
3 3H GLY 1 3HT GLY 1 -12.314 -14.394 -3.351
4 1HA GLY 1 1HA GLY 1 -12.124 -14.252 -0.625
5 2HA GLY 1 2HA GLY 1 -10.468 -14.495 -1.182
6 H LYS 2 H LYS 2 -11.416 -12.042 -0.044
7 HA LYS 2 HA LYS 2 -11.411 -9.735 -0.480
8 1HB LYS 2 2HB LYS 2 -9.661 -10.936 -2.590
9 2HB LYS 2 1HB LYS 2 -10.110 -9.238 -2.750
10 1HG LYS 2 2HG LYS 2 -9.412 -9.616 -0.035
11 2HG LYS 2 1HG LYS 2 -8.167 -10.430 -0.982
12 1HD LYS 2 2HD LYS 2 -8.035 -8.323 -2.403
13 2HD LYS 2 1HD LYS 2 -9.048 -7.543 -1.188
14 1HE LYS 2 2HE LYS 2 -6.831 -7.032 -0.519
15 2HE LYS 2 1HE LYS 2 -7.309 -8.367 0.530
16 1HZ LYS 2 1HZ LYS 2 -6.044 -9.870 -0.667
17 2HZ LYS 2 2HZ LYS 2 -5.057 -8.488 -0.649
18 3HZ LYS 2 3HZ LYS 2 -5.953 -8.878 -2.039
19 H GLU 3 H GLU 3 -13.571 -9.240 -0.867
20 HA GLU 3 HA GLU 3 -14.452 -9.385 -3.722
21 1HB GLU 3 2HB GLU 3 -15.686 -10.421 -1.337
22 2HB GLU 3 1HB GLU 3 -16.734 -9.212 -2.077
23 1HG GLU 3 2HG GLU 3 -16.866 -10.397 -4.109
24 2HG GLU 3 1HG GLU 3 -15.430 -11.355 -3.747
25 H CYS 4 H CYS 4 -13.069 -7.154 -2.918
26 HA CYS 4 HA CYS 4 -14.857 -5.046 -3.503
27 1HB CYS 4 2HB CYS 4 -15.601 -5.618 -1.146
28 2HB CYS 4 1HB CYS 4 -14.061 -4.969 -0.639
29 H ASP 5 H ASP 5 -12.854 -5.110 -4.836
30 HA ASP 5 HA ASP 5 -10.264 -4.575 -4.217
31 1HB ASP 5 2HB ASP 5 -11.348 -4.514 -6.516
32 2HB ASP 5 1HB ASP 5 -11.761 -2.832 -6.182
33 H CYS 6 H CYS 6 -12.941 -2.261 -3.880
34 HA CYS 6 HA CYS 6 -11.237 -0.718 -1.994
35 1HB CYS 6 2HB CYS 6 -12.799 0.695 -4.160
36 2HB CYS 6 1HB CYS 6 -11.650 1.398 -3.026
37 H SER 7 H SER 7 -12.439 0.323 -0.378
38 HA SER 7 HA SER 7 -15.307 -0.464 -0.266
39 1HB SER 7 2HB SER 7 -15.069 0.210 2.161
40 2HB SER 7 1HB SER 7 -14.039 -1.134 1.673
41 HG SER 7 HG SER 7 -13.060 1.473 1.408
42 H SER 8 H SER 8 -13.775 2.024 -1.551
43 HA SER 8 HA SER 8 -15.319 4.184 -0.240
44 1HB SER 8 2HB SER 8 -13.965 5.243 -2.449
45 2HB SER 8 1HB SER 8 -13.451 5.324 -0.768
46 HG SER 8 HG SER 8 -11.814 4.319 -1.808
47 HA PRO 9 HA PRO 9 -18.383 3.590 -3.449
48 1HB PRO 9 2HB PRO 9 -20.163 5.415 -2.419
49 2HB PRO 9 1HB PRO 9 -19.987 3.764 -1.801
50 1HG PRO 9 2HG PRO 9 -19.051 6.328 -0.599
51 2HG PRO 9 1HG PRO 9 -19.470 4.802 0.197
52 1HD PRO 9 2HD PRO 9 -16.848 5.731 -0.329
53 2HD PRO 9 1HD PRO 9 -17.294 4.081 0.157
54 H GLU 10 H GLU 10 -16.407 6.250 -2.843
55 HA GLU 10 HA GLU 10 -17.623 7.816 -5.083
56 1HB GLU 10 2HB GLU 10 -15.672 8.731 -2.946
57 2HB GLU 10 1HB GLU 10 -16.396 9.749 -4.190
58 1HG GLU 10 2HG GLU 10 -18.337 9.946 -3.046
59 2HG GLU 10 1HG GLU 10 -18.386 8.221 -2.679
60 H ASN 11 H ASN 11 -14.939 5.897 -4.150
61 HA ASN 11 HA ASN 11 -12.877 7.020 -5.749
62 1HB ASN 11 2HB ASN 11 -13.001 4.940 -4.025
63 2HB ASN 11 1HB ASN 11 -13.008 4.064 -5.555
64 1HD2 ASN 11 1HD2 ASN 11 -10.755 3.421 -4.537
65 2HD2 ASN 11 2HD2 ASN 11 -9.445 4.410 -4.966
66 HA PRO 12 HA PRO 12 -14.712 5.993 -9.702
67 1HB PRO 12 2HB PRO 12 -12.782 7.254 -11.198
68 2HB PRO 12 1HB PRO 12 -14.118 8.109 -10.406
69 1HG PRO 12 2HG PRO 12 -11.241 7.994 -9.630
70 2HG PRO 12 1HG PRO 12 -12.442 9.255 -9.301
71 1HD PRO 12 2HD PRO 12 -11.552 7.290 -7.466
72 2HD PRO 12 1HD PRO 12 -12.970 8.342 -7.267
73 H CYS 13 H CYS 13 -12.101 4.673 -8.216
74 HA CYS 13 HA CYS 13 -11.262 3.112 -10.625
75 1HB CYS 13 2HB CYS 13 -9.781 3.842 -8.095
76 2HB CYS 13 1HB CYS 13 -9.224 2.574 -9.173
77 H CYS 14 H CYS 14 -13.562 2.728 -8.614
78 HA CYS 14 HA CYS 14 -13.223 -0.159 -8.460
79 1HB CYS 14 2HB CYS 14 -12.833 1.561 -6.056
80 2HB CYS 14 1HB CYS 14 -13.749 0.067 -5.849
81 H ASP 15 H ASP 15 -15.206 -0.629 -9.279
82 HA ASP 15 HA ASP 15 -17.554 0.842 -9.194
83 1HB ASP 15 2HB ASP 15 -17.004 -1.472 -10.286
84 2HB ASP 15 1HB ASP 15 -17.687 -2.109 -8.797
85 H ALA 16 H ALA 16 -19.059 1.333 -7.629
86 HA ALA 16 HA ALA 16 -18.478 0.421 -4.893
87 1HB ALA 16 1HB ALA 16 -18.910 2.869 -5.547
88 2HB ALA 16 2HB ALA 16 -19.781 2.253 -4.142
89 3HB ALA 16 3HB ALA 16 -20.604 2.402 -5.695
90 H ALA 17 H ALA 17 -20.530 -0.441 -7.442
91 HA ALA 17 HA ALA 17 -22.641 -1.444 -5.599
92 1HB ALA 17 1HB ALA 17 -24.078 -1.259 -7.343
93 2HB ALA 17 2HB ALA 17 -22.949 -2.025 -8.461
94 3HB ALA 17 3HB ALA 17 -22.810 -0.302 -8.109
95 H THR 18 H THR 18 -19.828 -2.454 -7.210
96 HA THR 18 HA THR 18 -20.611 -5.307 -6.814
97 HB THR 18 HB THR 18 -19.559 -3.924 -9.148
98 HG1 THR 18 HG1 THR 18 -20.416 -5.725 -10.125
99 1HG2 THR 18 1HG2 THR 18 -17.399 -4.825 -8.407
100 2HG2 THR 18 2HG2 THR 18 -17.969 -5.687 -9.837
101 3HG2 THR 18 3HG2 THR 18 -18.115 -6.429 -8.245
102 H CYS 19 H CYS 19 -18.808 -2.887 -5.560
103 HA CYS 19 HA CYS 19 -16.785 -2.784 -4.357
104 1HB CYS 19 2HB CYS 19 -18.313 -5.094 -3.533
105 2HB CYS 19 1HB CYS 19 -16.603 -5.358 -3.287
106 H LYS 20 H LYS 20 -15.540 -2.701 -6.387
107 HA LYS 20 HA LYS 20 -13.351 -4.488 -6.396
108 1HB LYS 20 2HB LYS 20 -15.631 -5.316 -8.099
109 2HB LYS 20 1HB LYS 20 -14.032 -5.366 -8.843
110 1HG LYS 20 2HG LYS 20 -13.667 -6.450 -6.280
111 2HG LYS 20 1HG LYS 20 -15.175 -7.156 -6.865
112 1HD LYS 20 2HD LYS 20 -13.471 -7.219 -9.083
113 2HD LYS 20 1HD LYS 20 -12.446 -7.685 -7.724
114 1HE LYS 20 2HE LYS 20 -13.808 -9.526 -7.168
115 2HE LYS 20 1HE LYS 20 -15.183 -8.898 -8.077
116 1HZ LYS 20 1HZ LYS 20 -14.242 -9.495 -10.081
117 2HZ LYS 20 2HZ LYS 20 -13.773 -10.786 -9.080
118 3HZ LYS 20 3HZ LYS 20 -12.666 -9.554 -9.459
119 H LEU 21 H LEU 21 -12.034 -4.217 -8.510
120 HA LEU 21 HA LEU 21 -11.675 -1.428 -8.997
121 1HB LEU 21 2HB LEU 21 -10.565 -3.940 -10.023
122 2HB LEU 21 1HB LEU 21 -10.633 -2.663 -11.235
123 HG LEU 21 HG LEU 21 -9.387 -2.378 -8.492
124 1HD1 LEU 21 1HD1 LEU 21 -7.647 -3.447 -9.464
125 2HD1 LEU 21 2HD1 LEU 21 -7.433 -1.960 -10.389
126 3HD1 LEU 21 3HD1 LEU 21 -8.355 -3.299 -11.072
127 1HD2 LEU 21 1HD2 LEU 21 -10.413 -0.445 -10.207
128 2HD2 LEU 21 2HD2 LEU 21 -8.672 -0.427 -10.492
129 3HD2 LEU 21 3HD2 LEU 21 -9.302 -0.181 -8.863
130 H ARG 22 H ARG 22 -12.270 -0.148 -10.777
131 HA ARG 22 HA ARG 22 -14.712 -0.977 -12.138
132 1HB ARG 22 2HB ARG 22 -14.562 1.183 -13.285
133 2HB ARG 22 1HB ARG 22 -14.238 1.416 -11.566
134 1HG ARG 22 2HG ARG 22 -12.361 2.483 -12.248
135 2HG ARG 22 1HG ARG 22 -11.728 0.868 -12.566
136 1HD ARG 22 2HD ARG 22 -11.409 2.047 -14.602
137 2HD ARG 22 1HD ARG 22 -12.851 1.067 -14.874
138 HE ARG 22 HE ARG 22 -13.142 3.905 -14.003
139 1HH1 ARG 22 1HH2 ARG 22 -12.545 3.072 -16.969
140 2HH1 ARG 22 2HH2 ARG 22 -14.147 3.166 -17.621
141 1HH2 ARG 22 1HH1 ARG 22 -15.690 3.280 -14.518
142 2HH2 ARG 22 2HH1 ARG 22 -15.928 3.284 -16.233
143 HA PRO 23 HA PRO 23 -12.417 -3.285 -15.180
144 1HB PRO 23 2HB PRO 23 -14.557 -3.638 -16.901
145 2HB PRO 23 1HB PRO 23 -14.253 -4.626 -15.461
146 1HG PRO 23 2HG PRO 23 -16.190 -2.349 -15.810
147 2HG PRO 23 1HG PRO 23 -16.373 -3.843 -14.869
148 1HD PRO 23 2HD PRO 23 -15.741 -1.436 -13.689
149 2HD PRO 23 1HD PRO 23 -15.212 -2.994 -13.038
150 H GLY 24 H GLY 24 -11.202 -1.322 -15.654
151 1HA GLY 24 2HA GLY 24 -11.184 -0.576 -18.373
152 2HA GLY 24 1HA GLY 24 -12.011 0.709 -17.482
153 H ALA 25 H ALA 25 -10.563 0.314 -15.042
154 HA ALA 25 HA ALA 25 -8.074 1.720 -15.701
155 1HB ALA 25 1HB ALA 25 -8.006 2.118 -13.244
156 2HB ALA 25 2HB ALA 25 -9.446 1.118 -13.070
157 3HB ALA 25 3HB ALA 25 -9.530 2.636 -13.962
158 H GLN 26 H GLN 26 -6.568 0.943 -13.422
159 HA GLN 26 HA GLN 26 -6.257 -1.993 -13.696
160 1HB GLN 26 2HB GLN 26 -4.595 -0.159 -15.047
161 2HB GLN 26 1HB GLN 26 -3.650 -0.743 -13.677
162 1HG GLN 26 2HG GLN 26 -3.191 -2.490 -15.077
163 2HG GLN 26 1HG GLN 26 -4.763 -3.072 -14.526
164 1HE2 GLN 26 1HE2 GLN 26 -3.824 -0.497 -16.879
165 2HE2 GLN 26 2HE2 GLN 26 -4.772 -1.110 -18.148
166 H CYS 27 H CYS 27 -6.812 0.360 -11.625
167 HA CYS 27 HA CYS 27 -5.686 -1.122 -9.420
168 1HB CYS 27 2HB CYS 27 -3.733 0.010 -9.246
169 2HB CYS 27 1HB CYS 27 -4.251 1.232 -10.392
170 H GLY 28 H GLY 28 -6.498 -0.380 -7.371
171 1HA GLY 28 2HA GLY 28 -8.873 1.416 -7.651
172 2HA GLY 28 1HA GLY 28 -8.870 -0.010 -6.613
173 H GLU 29 H GLU 29 -5.902 0.758 -6.056
174 HA GLU 29 HA GLU 29 -5.846 3.254 -4.711
175 1HB GLU 29 2HB GLU 29 -6.152 2.526 -2.376
176 2HB GLU 29 1HB GLU 29 -7.617 2.261 -3.323
177 1HG GLU 29 2HG GLU 29 -7.556 0.068 -2.844
178 2HG GLU 29 1HG GLU 29 -5.951 -0.057 -3.564
179 H GLY 30 H GLY 30 -3.726 3.655 -4.407
180 1HA GLY 30 2HA GLY 30 -1.830 1.909 -3.196
181 2HA GLY 30 1HA GLY 30 -1.662 1.782 -4.955
182 H LEU 31 H LEU 31 0.546 2.889 -3.682
183 HA LEU 31 HA LEU 31 0.118 5.825 -3.706
184 1HB LEU 31 2HB LEU 31 1.690 5.608 -2.087
185 2HB LEU 31 1HB LEU 31 2.013 3.989 -2.574
186 HG LEU 31 HG LEU 31 3.616 4.730 -4.239
187 1HD1 LEU 31 1HD1 LEU 31 3.857 7.494 -3.798
188 2HD1 LEU 31 2HD1 LEU 31 2.122 7.208 -3.936
189 3HD1 LEU 31 3HD1 LEU 31 3.203 6.716 -5.239
190 1HD2 LEU 31 1HD2 LEU 31 4.517 6.627 -2.208
191 2HD2 LEU 31 2HD2 LEU 31 5.219 5.076 -2.671
192 3HD2 LEU 31 3HD2 LEU 31 3.918 5.135 -1.483
193 H CYS 32 H CYS 32 1.641 3.226 -5.493
194 HA CYS 32 HA CYS 32 2.514 5.106 -7.616
195 1HB CYS 32 2HB CYS 32 3.091 2.272 -6.885
196 2HB CYS 32 1HB CYS 32 3.143 2.679 -8.597
197 H CYS 33 H CYS 33 -0.264 4.972 -7.191
198 HA CYS 33 HA CYS 33 -1.303 3.194 -9.342
199 1HB CYS 33 2HB CYS 33 -2.468 4.530 -6.954
200 2HB CYS 33 1HB CYS 33 -3.519 4.366 -8.352
201 H GLU 34 H GLU 34 -0.955 4.265 -11.292
202 HA GLU 34 HA GLU 34 -1.078 7.097 -11.646
203 1HB GLU 34 2HB GLU 34 -0.422 4.950 -13.243
204 2HB GLU 34 1HB GLU 34 -1.927 5.518 -13.957
205 1HG GLU 34 2HG GLU 34 -1.018 7.806 -14.084
206 2HG GLU 34 1HG GLU 34 0.492 7.242 -13.369
207 H GLN 35 H GLN 35 -2.908 7.751 -13.544
208 HA GLN 35 HA GLN 35 -5.325 8.055 -12.090
209 1HB GLN 35 2HB GLN 35 -5.000 8.088 -15.107
210 2HB GLN 35 1HB GLN 35 -6.292 8.856 -14.183
211 1HG GLN 35 2HG GLN 35 -3.963 9.840 -13.012
212 2HG GLN 35 1HG GLN 35 -3.593 9.819 -14.737
213 1HE2 GLN 35 1HE2 GLN 35 -4.001 12.273 -13.238
214 2HE2 GLN 35 2HE2 GLN 35 -5.397 13.021 -13.850
215 H CYS 36 H CYS 36 -5.943 5.955 -11.311
216 HA CYS 36 HA CYS 36 -7.032 3.873 -11.440
217 1HB CYS 36 2HB CYS 36 -8.240 5.632 -13.394
218 2HB CYS 36 1HB CYS 36 -8.233 3.980 -13.990
219 H LYS 37 H LYS 37 -4.418 3.611 -12.059
220 HA LYS 37 HA LYS 37 -4.440 1.470 -14.065
221 1HB LYS 37 2HB LYS 37 -3.515 4.151 -14.734
222 2HB LYS 37 1HB LYS 37 -2.227 2.959 -14.909
223 1HG LYS 37 2HG LYS 37 -3.943 1.531 -16.178
224 2HG LYS 37 1HG LYS 37 -4.929 2.991 -16.254
225 1HD LYS 37 2HD LYS 37 -2.503 3.963 -17.047
226 2HD LYS 37 1HD LYS 37 -2.439 2.325 -17.698
227 1HE LYS 37 2HE LYS 37 -4.971 3.012 -18.391
228 2HE LYS 37 1HE LYS 37 -4.193 4.593 -18.456
229 1HZ LYS 37 1HZ LYS 37 -4.110 3.278 -20.562
230 2HZ LYS 37 2HZ LYS 37 -3.083 2.180 -19.771
231 3HZ LYS 37 3HZ LYS 37 -2.599 3.795 -19.988
232 H PHE 38 H PHE 38 -2.240 0.393 -14.148
233 HA PHE 38 HA PHE 38 -1.041 0.469 -11.439
234 1HB PHE 38 2HB PHE 38 -1.055 -1.513 -13.695
235 2HB PHE 38 1HB PHE 38 0.248 -1.576 -12.513
236 HD1 PHE 38 HD1 PHE 38 -1.338 -0.646 -10.079
237 HD2 PHE 38 HD2 PHE 38 -2.226 -3.515 -13.147
238 HE1 PHE 38 HE1 PHE 38 -2.826 -1.850 -8.514
239 HE2 PHE 38 HE2 PHE 38 -3.717 -4.724 -11.579
240 HZ PHE 38 HZ PHE 38 -4.019 -3.893 -9.263
241 H SER 39 H SER 39 0.703 1.787 -11.183
242 HA SER 39 HA SER 39 2.114 3.145 -13.167
243 1HB SER 39 2HB SER 39 3.933 3.407 -11.544
244 2HB SER 39 1HB SER 39 2.385 3.528 -10.711
245 HG SER 39 HG SER 39 2.627 1.429 -10.008
246 H ARG 40 H ARG 40 4.565 2.693 -13.663
247 HA ARG 40 HA ARG 40 4.688 -0.025 -14.767
248 1HB ARG 40 2HB ARG 40 5.777 2.553 -15.482
249 2HB ARG 40 1HB ARG 40 7.044 1.328 -15.430
250 1HG ARG 40 2HG ARG 40 6.182 1.225 -17.645
251 2HG ARG 40 1HG ARG 40 5.447 -0.141 -16.805
252 1HD ARG 40 2HD ARG 40 3.357 0.751 -16.925
253 2HD ARG 40 1HD ARG 40 3.933 2.385 -16.593
254 HE ARG 40 HE ARG 40 4.754 1.586 -19.226
255 1HH1 ARG 40 1HH1 ARG 40 1.709 0.925 -18.595
256 2HH1 ARG 40 2HH1 ARG 40 0.976 2.283 -19.382
257 1HH2 ARG 40 1HH2 ARG 40 3.949 4.035 -19.713
258 2HH2 ARG 40 2HH2 ARG 40 2.244 4.043 -20.015
259 H ALA 41 H ALA 41 6.000 -1.582 -13.889
260 HA ALA 41 HA ALA 41 7.043 -1.424 -11.313
261 1HB ALA 41 1HB ALA 41 7.755 -3.118 -13.683
262 2HB ALA 41 2HB ALA 41 7.010 -3.593 -12.157
263 3HB ALA 41 3HB ALA 41 8.733 -3.223 -12.220
264 H GLY 42 H GLY 42 9.282 -1.217 -10.553
265 1HA GLY 42 2HA GLY 42 11.496 -0.367 -10.680
266 2HA GLY 42 1HA GLY 42 11.175 0.127 -12.341
267 H LYS 43 H LYS 43 8.882 0.897 -9.844
268 HA LYS 43 HA LYS 43 9.748 3.742 -10.017
269 1HB LYS 43 2HB LYS 43 7.490 3.490 -10.872
270 2HB LYS 43 1HB LYS 43 7.028 2.522 -9.479
271 1HG LYS 43 2HG LYS 43 6.190 4.809 -9.225
272 2HG LYS 43 1HG LYS 43 7.404 4.480 -8.009
273 1HD LYS 43 2HD LYS 43 8.292 6.456 -8.742
274 2HD LYS 43 1HD LYS 43 8.980 5.437 -10.006
275 1HE LYS 43 2HE LYS 43 6.351 6.034 -10.844
276 2HE LYS 43 1HE LYS 43 7.027 7.551 -10.250
277 1HZ LYS 43 1HZ LYS 43 7.693 6.059 -12.598
278 2HZ LYS 43 2HZ LYS 43 9.064 6.422 -11.662
279 3HZ LYS 43 3HZ LYS 43 8.048 7.670 -12.205
280 H ILE 44 H ILE 44 9.199 4.907 -7.764
281 HA ILE 44 HA ILE 44 10.178 2.984 -5.736
282 HB ILE 44 HB ILE 44 10.714 5.784 -6.307
283 1HG1 ILE 44 2HG1 ILE 44 12.396 4.008 -6.279
284 2HG1 ILE 44 1HG1 ILE 44 12.769 5.211 -5.043
285 1HG2 ILE 44 1HG2 ILE 44 11.130 6.242 -3.784
286 2HG2 ILE 44 2HG2 ILE 44 9.921 4.987 -3.509
287 3HG2 ILE 44 3HG2 ILE 44 9.490 6.448 -4.400
288 1HD1 ILE 44 1HD1 ILE 44 10.981 3.119 -4.055
289 2HD1 ILE 44 2HD1 ILE 44 12.489 3.720 -3.366
290 3HD1 ILE 44 3HD1 ILE 44 12.524 2.476 -4.616
291 H CYS 45 H CYS 45 8.366 2.025 -4.866
292 HA CYS 45 HA CYS 45 5.971 3.580 -4.154
293 1HB CYS 45 2HB CYS 45 6.419 0.906 -4.689
294 2HB CYS 45 1HB CYS 45 6.278 0.929 -2.942
295 H ARG 46 H ARG 46 9.018 3.256 -2.833
296 HA ARG 46 HA ARG 46 8.352 4.632 -0.434
297 1HB ARG 46 2HB ARG 46 7.687 1.903 -0.286
298 2HB ARG 46 1HB ARG 46 9.186 2.071 0.630
299 1HG ARG 46 2HG ARG 46 8.201 3.914 1.930
300 2HG ARG 46 1HG ARG 46 6.705 3.776 1.005
301 1HD ARG 46 2HD ARG 46 6.420 1.459 1.810
302 2HD ARG 46 1HD ARG 46 7.911 1.602 2.742
303 HE ARG 46 HE ARG 46 5.832 3.612 3.327
304 1HH1 ARG 46 1HH1 ARG 46 8.192 1.635 4.593
305 2HH1 ARG 46 2HH1 ARG 46 7.312 1.173 6.011
306 1HH2 ARG 46 1HH2 ARG 46 4.333 2.595 4.948
307 2HH2 ARG 46 2HH2 ARG 46 5.128 1.719 6.213
308 H ILE 47 H ILE 47 10.247 4.583 1.166
309 HA ILE 47 HA ILE 47 12.790 4.121 -0.342
310 HB ILE 47 HB ILE 47 12.310 6.519 0.006
311 1HG1 ILE 47 2HG1 ILE 47 14.409 7.046 1.346
312 2HG1 ILE 47 1HG1 ILE 47 14.547 5.315 1.660
313 1HG2 ILE 47 1HG2 ILE 47 12.705 6.370 2.927
314 2HG2 ILE 47 2HG2 ILE 47 11.169 5.710 2.363
315 3HG2 ILE 47 3HG2 ILE 47 11.602 7.379 1.990
316 1HD1 ILE 47 1HD1 ILE 47 15.234 6.807 -0.740
317 2HD1 ILE 47 2HD1 ILE 47 14.106 5.499 -1.101
318 3HD1 ILE 47 3HD1 ILE 47 15.640 5.146 -0.305
319 H ALA 48 H ALA 48 14.252 2.785 0.652
320 HA ALA 48 HA ALA 48 13.552 1.294 2.970
321 1HB ALA 48 1HB ALA 48 16.436 1.647 2.278
322 2HB ALA 48 2HB ALA 48 15.385 0.912 1.069
323 3HB ALA 48 3HB ALA 48 15.547 0.174 2.662
324 H ARG 49 H ARG 49 15.719 1.299 4.676
325 HA ARG 49 HA ARG 49 15.633 4.058 5.820
326 1HB ARG 49 2HB ARG 49 16.106 1.640 7.488
327 2HB ARG 49 1HB ARG 49 15.400 3.182 7.954
328 1HG ARG 49 2HG ARG 49 14.084 1.180 6.096
329 2HG ARG 49 1HG ARG 49 13.702 1.353 7.810
330 1HD ARG 49 2HD ARG 49 13.439 3.535 5.720
331 2HD ARG 49 1HD ARG 49 12.104 2.620 6.420
332 HE ARG 49 HE ARG 49 13.354 4.887 7.636
333 1HH1 ARG 49 1HH2 ARG 49 11.570 2.021 8.147
334 2HH1 ARG 49 2HH2 ARG 49 11.470 2.214 9.865
335 1HH2 ARG 49 1HH1 ARG 49 13.512 5.014 9.939
336 2HH2 ARG 49 2HH1 ARG 49 12.569 3.908 10.879
337 H GLY 50 H GLY 50 17.676 2.676 4.005
338 1HA GLY 50 2HA GLY 50 20.018 3.789 5.161
339 2HA GLY 50 1HA GLY 50 20.011 2.060 5.500
340 H ASP 51 H ASP 51 20.393 0.620 3.808
341 HA ASP 51 HA ASP 51 20.528 1.620 1.060
342 1HB ASP 51 2HB ASP 51 22.869 1.243 2.737
343 2HB ASP 51 1HB ASP 51 22.938 0.263 1.274
344 H TRP 52 H TRP 52 19.173 0.080 0.215
345 HA TRP 52 HA TRP 52 20.049 -2.609 -0.144
346 1HB TRP 52 2HB TRP 52 17.805 -3.326 1.332
347 2HB TRP 52 1HB TRP 52 19.476 -3.535 1.845
348 HD1 TRP 52 HD1 TRP 52 17.260 -0.361 1.702
349 HE1 TRP 52 HE1 TRP 52 17.355 0.783 4.007
350 HE3 TRP 52 HE3 TRP 52 20.185 -3.690 4.208
351 HZ2 TRP 52 HZ2 TRP 52 18.521 0.342 6.582
352 HZ3 TRP 52 HZ3 TRP 52 20.782 -3.311 6.585
353 HH2 TRP 52 HH2 TRP 52 19.952 -1.298 7.774
354 H ASN 53 H ASN 53 17.610 -3.936 -0.439
355 HA ASN 53 HA ASN 53 16.635 -2.856 -2.886
356 1HB ASN 53 2HB ASN 53 15.710 -4.980 -0.992
357 2HB ASN 53 1HB ASN 53 14.582 -4.418 -2.226
358 1HD2 ASN 53 1HD2 ASN 53 18.022 -5.495 -1.957
359 2HD2 ASN 53 2HD2 ASN 53 18.040 -6.290 -3.457
360 H ASP 54 H ASP 54 14.506 -1.920 -3.315
361 HA ASP 54 HA ASP 54 13.437 -0.396 -0.973
362 1HB ASP 54 2HB ASP 54 14.369 0.485 -3.577
363 2HB ASP 54 1HB ASP 54 12.715 1.008 -3.270
364 H ASP 55 H ASP 55 11.120 0.526 -1.789
365 HA ASP 55 HA ASP 55 9.528 -1.892 -2.291
366 1HB ASP 55 2HB ASP 55 8.987 0.884 -1.393
367 2HB ASP 55 1HB ASP 55 7.665 0.003 -2.147
368 H ARG 56 H ARG 56 11.079 -1.279 -4.512
369 HA ARG 56 HA ARG 56 10.241 0.406 -6.471
370 1HB ARG 56 2HB ARG 56 11.961 -1.591 -6.499
371 2HB ARG 56 1HB ARG 56 10.617 -2.456 -7.249
372 1HG ARG 56 2HG ARG 56 11.888 -1.482 -9.039
373 2HG ARG 56 1HG ARG 56 10.421 -0.518 -8.877
374 1HD ARG 56 2HD ARG 56 12.407 0.932 -9.096
375 2HD ARG 56 1HD ARG 56 11.651 1.133 -7.515
376 HE ARG 56 HE ARG 56 13.587 -0.851 -7.155
377 1HH1 ARG 56 1HH2 ARG 56 13.475 2.386 -8.355
378 2HH1 ARG 56 2HH2 ARG 56 15.055 2.791 -7.774
379 1HH2 ARG 56 1HH1 ARG 56 15.628 -0.317 -6.353
380 2HH2 ARG 56 2HH1 ARG 56 16.272 1.265 -6.642
381 H CYS 57 H CYS 57 8.062 0.920 -6.727
382 HA CYS 57 HA CYS 57 5.836 -0.737 -6.482
383 1HB CYS 57 2HB CYS 57 6.068 1.193 -8.790
384 2HB CYS 57 1HB CYS 57 4.633 0.769 -7.871
385 H THR 58 H THR 58 4.896 -2.315 -7.765
386 HA THR 58 HA THR 58 6.612 -3.439 -9.887
387 HB THR 58 HB THR 58 5.404 -5.420 -9.612
388 HG1 THR 58 HG1 THR 58 3.281 -3.908 -8.499
389 1HG2 THR 58 1HG2 THR 58 4.931 -4.048 -6.954
390 2HG2 THR 58 2HG2 THR 58 6.504 -4.649 -7.475
391 3HG2 THR 58 3HG2 THR 58 5.166 -5.773 -7.237
392 H GLY 59 H GLY 59 5.244 -4.350 -11.853
393 1HA GLY 59 2HA GLY 59 3.818 -2.007 -12.976
394 2HA GLY 59 1HA GLY 59 4.439 -3.373 -13.902
395 H GLN 60 H GLN 60 3.162 -5.130 -11.678
396 HA GLN 60 HA GLN 60 0.553 -5.352 -13.049
397 1HB GLN 60 2HB GLN 60 0.345 -7.477 -11.879
398 2HB GLN 60 1HB GLN 60 1.962 -7.374 -12.580
399 1HG GLN 60 2HG GLN 60 2.544 -6.288 -10.229
400 2HG GLN 60 1HG GLN 60 1.122 -7.196 -9.713
401 1HE2 GLN 60 1HE2 GLN 60 4.113 -7.671 -9.193
402 2HE2 GLN 60 2HE2 GLN 60 4.367 -9.279 -9.671
403 H SER 61 H SER 61 1.864 -4.044 -10.158
404 HA SER 61 HA SER 61 -0.908 -3.657 -9.105
405 1HB SER 61 2HB SER 61 0.979 -5.177 -7.847
406 2HB SER 61 1HB SER 61 1.308 -3.596 -7.146
407 HG SER 61 HG SER 61 -1.047 -5.143 -7.082
408 H ALA 62 H ALA 62 -0.289 -1.852 -7.077
409 HA ALA 62 HA ALA 62 1.464 0.249 -8.104
410 1HB ALA 62 1HB ALA 62 -1.526 0.413 -8.378
411 2HB ALA 62 2HB ALA 62 -0.284 0.831 -9.558
412 3HB ALA 62 3HB ALA 62 -0.565 1.877 -8.167
413 H ASP 63 H ASP 63 0.648 -1.338 -5.566
414 HA ASP 63 HA ASP 63 0.174 1.026 -3.809
415 1HB ASP 63 2HB ASP 63 0.018 -1.755 -2.773
416 2HB ASP 63 1HB ASP 63 -0.908 -0.339 -2.296
417 H CYS 64 H CYS 64 1.343 0.790 -1.615
418 HA CYS 64 HA CYS 64 4.117 -0.132 -2.192
419 1HB CYS 64 2HB CYS 64 3.205 1.991 -0.241
420 2HB CYS 64 1HB CYS 64 4.874 1.569 -0.627
421 HA PRO 65 HA PRO 65 3.015 -3.028 1.031
422 1HB PRO 65 2HB PRO 65 4.925 -4.827 0.255
423 2HB PRO 65 1HB PRO 65 3.324 -4.739 -0.479
424 1HG PRO 65 2HG PRO 65 5.957 -3.870 -1.561
425 2HG PRO 65 1HG PRO 65 4.487 -4.342 -2.430
426 1HD PRO 65 2HD PRO 65 5.392 -1.697 -2.002
427 2HD PRO 65 1HD PRO 65 3.785 -2.175 -2.588
428 H ARG 66 H ARG 66 6.398 -3.775 0.523
429 HA ARG 66 HA ARG 66 7.603 -1.910 2.288
430 1HB ARG 66 2HB ARG 66 6.041 -3.971 3.593
431 2HB ARG 66 1HB ARG 66 7.744 -4.119 4.030
432 1HG ARG 66 2HG ARG 66 7.832 -1.854 4.809
433 2HG ARG 66 1HG ARG 66 6.250 -1.488 4.119
434 1HD ARG 66 2HD ARG 66 6.221 -1.895 6.611
435 2HD ARG 66 1HD ARG 66 5.145 -2.948 5.692
436 HE ARG 66 HE ARG 66 7.804 -4.085 6.153
437 1HH1 ARG 66 1HH1 ARG 66 5.090 -5.504 5.884
438 2HH1 ARG 66 2HH1 ARG 66 4.879 -6.101 7.495
439 1HH2 ARG 66 1HH2 ARG 66 7.324 -4.056 8.859
440 2HH2 ARG 66 2HH2 ARG 66 6.143 -5.282 9.178
441 H TYR 67 H TYR 67 9.759 -2.899 3.194
442 HA TYR 67 HA TYR 67 10.830 -5.302 2.135
443 1HB TYR 67 2HB TYR 67 10.566 -3.282 0.175
444 2HB TYR 67 1HB TYR 67 12.280 -3.386 0.570
445 HD1 TYR 67 HD1 TYR 67 9.453 -5.044 -1.003
446 HD2 TYR 67 HD2 TYR 67 13.466 -5.596 0.425
447 HE1 TYR 67 HE1 TYR 67 9.632 -7.142 -2.314
448 HE2 TYR 67 HE2 TYR 67 13.644 -7.693 -0.886
449 HH TYR 67 HH TYR 67 12.289 -9.336 -1.910
450 H HIS 68 HN HIS 68 10.926 -3.506 4.496
451 HA HIS 68 HA HIS 68 13.800 -3.715 4.970
452 1HB HIS 68 2HB HIS 68 13.745 -1.182 5.739
453 2HB HIS 68 1HB HIS 68 14.090 -1.599 4.061
454 HD1 HIS 68 HD1 HIS 68 11.925 -1.555 2.413
455 HD2 HIS 68 HD2 HIS 68 11.504 0.423 6.058
456 HE1 HIS 68 HE1 HIS 68 9.924 -0.022 2.169
Start of MODEL 4
1 1H GLY 1 1HT GLY 1 -14.726 -12.682 1.084
2 2H GLY 1 2HT GLY 1 -13.771 -14.028 1.487
3 3H GLY 1 3HT GLY 1 -13.551 -13.242 -0.003
4 1HA GLY 1 1HA GLY 1 -13.280 -11.450 2.210
5 2HA GLY 1 2HA GLY 1 -12.124 -12.782 2.269
6 H LYS 2 H LYS 2 -11.539 -9.975 1.696
7 HA LYS 2 HA LYS 2 -10.224 -8.734 0.207
8 1HB LYS 2 2HB LYS 2 -9.154 -11.216 0.208
9 2HB LYS 2 1HB LYS 2 -9.627 -11.102 -1.487
10 1HG LYS 2 2HG LYS 2 -8.504 -8.726 -1.348
11 2HG LYS 2 1HG LYS 2 -7.671 -9.415 0.046
12 1HD LYS 2 2HD LYS 2 -6.961 -11.339 -1.397
13 2HD LYS 2 1HD LYS 2 -7.670 -10.507 -2.781
14 1HE LYS 2 2HE LYS 2 -6.183 -8.555 -2.326
15 2HE LYS 2 1HE LYS 2 -5.426 -9.470 -1.024
16 1HZ LYS 2 1HZ LYS 2 -4.075 -10.291 -2.557
17 2HZ LYS 2 2HZ LYS 2 -4.983 -9.626 -3.830
18 3HZ LYS 2 3HZ LYS 2 -5.394 -11.147 -3.193
19 H GLU 3 H GLU 3 -12.848 -8.506 -0.366
20 HA GLU 3 HA GLU 3 -12.986 -8.834 -3.340
21 1HB GLU 3 2HB GLU 3 -15.413 -8.943 -3.123
22 2HB GLU 3 1HB GLU 3 -14.691 -10.155 -2.066
23 1HG GLU 3 2HG GLU 3 -14.941 -8.681 -0.135
24 2HG GLU 3 1HG GLU 3 -15.565 -7.394 -1.168
25 H CYS 4 H CYS 4 -11.666 -6.639 -2.196
26 HA CYS 4 HA CYS 4 -13.468 -4.457 -3.088
27 1HB CYS 4 2HB CYS 4 -11.987 -4.527 -0.446
28 2HB CYS 4 1HB CYS 4 -12.633 -3.046 -1.153
29 H ASP 5 H ASP 5 -12.007 -4.617 -4.969
30 HA ASP 5 HA ASP 5 -9.240 -4.432 -5.029
31 1HB ASP 5 2HB ASP 5 -11.411 -3.560 -6.810
32 2HB ASP 5 1HB ASP 5 -9.926 -2.635 -7.001
33 H CYS 6 H CYS 6 -11.521 -1.945 -4.063
34 HA CYS 6 HA CYS 6 -9.184 -0.214 -3.384
35 1HB CYS 6 2HB CYS 6 -10.204 1.692 -4.237
36 2HB CYS 6 1HB CYS 6 -10.812 0.486 -5.363
37 H SER 7 H SER 7 -10.322 1.664 -1.795
38 HA SER 7 HA SER 7 -11.898 0.132 0.229
39 1HB SER 7 2HB SER 7 -10.534 1.049 2.008
40 2HB SER 7 1HB SER 7 -9.458 0.292 0.837
41 HG SER 7 HG SER 7 -9.687 2.906 1.585
42 H SER 8 H SER 8 -11.843 2.761 -1.781
43 HA SER 8 HA SER 8 -13.496 4.386 0.104
44 1HB SER 8 2HB SER 8 -11.314 5.121 -1.563
45 2HB SER 8 1HB SER 8 -12.761 5.885 -2.208
46 HG SER 8 HG SER 8 -11.844 7.177 -0.598
47 HA PRO 9 HA PRO 9 -16.821 3.449 -2.666
48 1HB PRO 9 2HB PRO 9 -18.659 5.135 -1.513
49 2HB PRO 9 1HB PRO 9 -18.195 3.572 -0.819
50 1HG PRO 9 2HG PRO 9 -17.453 6.315 0.075
51 2HG PRO 9 1HG PRO 9 -17.534 4.813 1.011
52 1HD PRO 9 2HD PRO 9 -15.176 6.044 0.013
53 2HD PRO 9 1HD PRO 9 -15.299 4.414 0.707
54 H GLU 10 H GLU 10 -15.649 6.716 -2.098
55 HA GLU 10 HA GLU 10 -17.205 7.869 -4.300
56 1HB GLU 10 2HB GLU 10 -15.279 8.853 -2.262
57 2HB GLU 10 1HB GLU 10 -15.315 9.740 -3.787
58 1HG GLU 10 2HG GLU 10 -18.014 9.260 -3.121
59 2HG GLU 10 1HG GLU 10 -17.234 9.774 -1.624
60 H ASN 11 H ASN 11 -14.329 6.082 -4.015
61 HA ASN 11 HA ASN 11 -12.810 7.260 -6.144
62 1HB ASN 11 2HB ASN 11 -12.057 5.587 -4.313
63 2HB ASN 11 1HB ASN 11 -12.689 4.346 -5.395
64 1HD2 ASN 11 1HD2 ASN 11 -9.815 5.578 -4.594
65 2HD2 ASN 11 2HD2 ASN 11 -9.027 5.582 -6.095
66 HA PRO 12 HA PRO 12 -15.375 5.670 -9.428
67 1HB PRO 12 2HB PRO 12 -13.854 6.701 -11.474
68 2HB PRO 12 1HB PRO 12 -14.998 7.662 -10.524
69 1HG PRO 12 2HG PRO 12 -12.021 7.640 -10.411
70 2HG PRO 12 1HG PRO 12 -13.150 8.933 -9.974
71 1HD PRO 12 2HD PRO 12 -11.813 7.205 -8.166
72 2HD PRO 12 1HD PRO 12 -13.161 8.293 -7.775
73 H CYS 13 H CYS 13 -11.858 5.246 -9.302
74 HA CYS 13 HA CYS 13 -11.581 3.283 -11.344
75 1HB CYS 13 2HB CYS 13 -10.027 3.896 -8.840
76 2HB CYS 13 1HB CYS 13 -9.599 2.514 -9.845
77 H CYS 14 H CYS 14 -13.273 3.071 -8.376
78 HA CYS 14 HA CYS 14 -13.424 0.137 -8.795
79 1HB CYS 14 2HB CYS 14 -13.236 -0.319 -6.431
80 2HB CYS 14 1HB CYS 14 -11.840 0.639 -6.924
81 H ASP 15 H ASP 15 -15.451 -0.364 -9.194
82 HA ASP 15 HA ASP 15 -17.721 1.233 -8.879
83 1HB ASP 15 2HB ASP 15 -17.197 -1.278 -9.853
84 2HB ASP 15 1HB ASP 15 -18.178 -1.621 -8.436
85 H ALA 16 H ALA 16 -18.809 1.907 -7.090
86 HA ALA 16 HA ALA 16 -18.021 1.021 -4.457
87 1HB ALA 16 1HB ALA 16 -19.549 3.170 -5.585
88 2HB ALA 16 2HB ALA 16 -18.912 3.023 -3.947
89 3HB ALA 16 3HB ALA 16 -20.512 2.389 -4.332
90 H ALA 17 H ALA 17 -20.146 -0.219 -6.785
91 HA ALA 17 HA ALA 17 -22.191 -1.280 -5.039
92 1HB ALA 17 1HB ALA 17 -21.270 -2.083 -7.815
93 2HB ALA 17 2HB ALA 17 -22.663 -1.083 -7.402
94 3HB ALA 17 3HB ALA 17 -22.661 -2.800 -7.001
95 H THR 18 H THR 18 -18.938 -2.166 -5.715
96 HA THR 18 HA THR 18 -19.181 -4.468 -3.895
97 HB THR 18 HB THR 18 -19.602 -5.667 -5.903
98 HG1 THR 18 HG1 THR 18 -17.729 -6.343 -4.597
99 1HG2 THR 18 1HG2 THR 18 -18.627 -5.216 -7.998
100 2HG2 THR 18 2HG2 THR 18 -17.270 -4.348 -7.280
101 3HG2 THR 18 3HG2 THR 18 -18.873 -3.612 -7.308
102 H CYS 19 H CYS 19 -17.852 -1.829 -3.963
103 HA CYS 19 HA CYS 19 -15.707 -0.849 -3.758
104 1HB CYS 19 2HB CYS 19 -14.387 -2.020 -1.964
105 2HB CYS 19 1HB CYS 19 -16.065 -1.708 -1.537
106 H LYS 20 H LYS 20 -15.901 -2.759 -6.071
107 HA LYS 20 HA LYS 20 -13.035 -3.595 -6.098
108 1HB LYS 20 2HB LYS 20 -15.435 -4.770 -7.507
109 2HB LYS 20 1HB LYS 20 -13.778 -5.132 -7.997
110 1HG LYS 20 2HG LYS 20 -13.278 -6.223 -5.989
111 2HG LYS 20 1HG LYS 20 -14.592 -5.432 -5.117
112 1HD LYS 20 2HD LYS 20 -15.705 -7.387 -5.458
113 2HD LYS 20 1HD LYS 20 -15.965 -6.757 -7.086
114 1HE LYS 20 2HE LYS 20 -14.670 -8.366 -7.978
115 2HE LYS 20 1HE LYS 20 -13.343 -7.963 -6.888
116 1HZ LYS 20 1HZ LYS 20 -15.589 -9.390 -5.715
117 2HZ LYS 20 2HZ LYS 20 -13.922 -9.566 -5.437
118 3HZ LYS 20 3HZ LYS 20 -14.637 -10.273 -6.807
119 H LEU 21 H LEU 21 -12.358 -3.737 -8.643
120 HA LEU 21 HA LEU 21 -12.276 -1.022 -9.540
121 1HB LEU 21 2HB LEU 21 -11.487 -3.657 -10.707
122 2HB LEU 21 1HB LEU 21 -11.560 -2.250 -11.770
123 HG LEU 21 HG LEU 21 -10.102 -2.176 -9.128
124 1HD1 LEU 21 1HD1 LEU 21 -8.446 -3.433 -9.982
125 2HD1 LEU 21 2HD1 LEU 21 -8.299 -2.315 -11.338
126 3HD1 LEU 21 3HD1 LEU 21 -9.396 -3.691 -11.445
127 1HD2 LEU 21 1HD2 LEU 21 -8.914 -0.522 -11.049
128 2HD2 LEU 21 2HD2 LEU 21 -9.950 -0.011 -9.717
129 3HD2 LEU 21 3HD2 LEU 21 -10.650 -0.335 -11.303
130 H ARG 22 H ARG 22 -13.757 0.118 -10.669
131 HA ARG 22 HA ARG 22 -16.177 -1.249 -11.605
132 1HB ARG 22 2HB ARG 22 -16.867 0.728 -10.688
133 2HB ARG 22 1HB ARG 22 -15.371 1.563 -11.072
134 1HG ARG 22 2HG ARG 22 -16.059 1.967 -13.318
135 2HG ARG 22 1HG ARG 22 -17.362 0.783 -13.211
136 1HD ARG 22 2HD ARG 22 -17.996 2.482 -11.153
137 2HD ARG 22 1HD ARG 22 -17.306 3.596 -12.332
138 HE ARG 22 HE ARG 22 -19.262 1.744 -13.471
139 1HH1 ARG 22 1HH2 ARG 22 -18.888 4.588 -11.577
140 2HH1 ARG 22 2HH2 ARG 22 -20.229 5.410 -12.299
141 1HH2 ARG 22 1HH1 ARG 22 -20.915 2.870 -14.557
142 2HH2 ARG 22 2HH1 ARG 22 -21.378 4.439 -13.985
143 HA PRO 23 HA PRO 23 -14.637 0.353 -15.815
144 1HB PRO 23 2HB PRO 23 -12.216 1.645 -15.917
145 2HB PRO 23 1HB PRO 23 -13.756 2.480 -15.648
146 1HG PRO 23 2HG PRO 23 -11.594 1.851 -13.693
147 2HG PRO 23 1HG PRO 23 -12.782 3.165 -13.668
148 1HD PRO 23 2HD PRO 23 -12.912 0.789 -12.142
149 2HD PRO 23 1HD PRO 23 -14.237 1.945 -12.392
150 H GLY 24 H GLY 24 -12.347 0.020 -17.226
151 1HA GLY 24 2HA GLY 24 -11.528 -2.726 -16.496
152 2HA GLY 24 1HA GLY 24 -11.201 -1.923 -18.034
153 H ALA 25 H ALA 25 -10.598 -0.073 -15.200
154 HA ALA 25 HA ALA 25 -7.862 0.359 -15.807
155 1HB ALA 25 1HB ALA 25 -7.724 1.444 -13.635
156 2HB ALA 25 2HB ALA 25 -9.181 0.613 -13.089
157 3HB ALA 25 3HB ALA 25 -9.286 1.833 -14.357
158 H GLN 26 H GLN 26 -6.139 -0.134 -13.955
159 HA GLN 26 HA GLN 26 -6.337 -3.065 -13.396
160 1HB GLN 26 2HB GLN 26 -4.311 -1.483 -14.673
161 2HB GLN 26 1HB GLN 26 -3.643 -2.203 -13.209
162 1HG GLN 26 2HG GLN 26 -3.754 -4.312 -14.053
163 2HG GLN 26 1HG GLN 26 -5.323 -4.025 -14.810
164 1HE2 GLN 26 1HE2 GLN 26 -5.286 -3.853 -17.058
165 2HE2 GLN 26 2HE2 GLN 26 -3.908 -3.497 -17.983
166 H CYS 27 H CYS 27 -6.696 -0.211 -11.877
167 HA CYS 27 HA CYS 27 -6.422 -1.249 -9.251
168 1HB CYS 27 2HB CYS 27 -4.401 -0.226 -8.458
169 2HB CYS 27 1HB CYS 27 -3.974 -1.107 -9.925
170 H GLY 28 H GLY 28 -7.078 0.328 -7.660
171 1HA GLY 28 2HA GLY 28 -8.021 2.901 -8.865
172 2HA GLY 28 1HA GLY 28 -8.984 1.997 -7.697
173 H GLU 29 H GLU 29 -6.171 1.396 -6.415
174 HA GLU 29 HA GLU 29 -5.180 3.891 -5.425
175 1HB GLU 29 2HB GLU 29 -6.170 3.987 -3.234
176 2HB GLU 29 1HB GLU 29 -7.495 3.870 -4.391
177 1HG GLU 29 2HG GLU 29 -7.633 1.442 -4.001
178 2HG GLU 29 1HG GLU 29 -6.299 1.547 -2.853
179 H GLY 30 H GLY 30 -3.214 3.469 -4.525
180 1HA GLY 30 2HA GLY 30 -2.602 1.314 -2.785
181 2HA GLY 30 1HA GLY 30 -2.150 0.832 -4.420
182 H LEU 31 H LEU 31 0.027 0.921 -3.044
183 HA LEU 31 HA LEU 31 1.168 3.507 -2.522
184 1HB LEU 31 2HB LEU 31 1.991 0.769 -2.334
185 2HB LEU 31 1HB LEU 31 3.266 1.720 -3.087
186 HG LEU 31 HG LEU 31 3.436 1.687 -0.594
187 1HD1 LEU 31 1HD1 LEU 31 3.974 3.971 -0.413
188 2HD1 LEU 31 2HD1 LEU 31 2.647 4.462 -1.467
189 3HD1 LEU 31 3HD1 LEU 31 4.072 3.678 -2.149
190 1HD2 LEU 31 1HD2 LEU 31 1.207 3.558 -0.231
191 2HD2 LEU 31 2HD2 LEU 31 1.658 2.153 0.735
192 3HD2 LEU 31 3HD2 LEU 31 0.677 1.948 -0.716
193 H CYS 32 H CYS 32 0.661 1.707 -5.403
194 HA CYS 32 HA CYS 32 2.048 3.818 -6.945
195 1HB CYS 32 2HB CYS 32 2.532 1.050 -7.921
196 2HB CYS 32 1HB CYS 32 3.577 2.467 -8.001
197 H CYS 33 H CYS 33 -0.603 3.823 -6.887
198 HA CYS 33 HA CYS 33 -1.449 2.265 -9.295
199 1HB CYS 33 2HB CYS 33 -2.802 1.630 -7.401
200 2HB CYS 33 1HB CYS 33 -3.091 3.314 -6.973
201 H GLU 34 H GLU 34 -1.054 3.672 -10.958
202 HA GLU 34 HA GLU 34 -1.364 6.515 -10.802
203 1HB GLU 34 2HB GLU 34 -0.299 4.775 -12.630
204 2HB GLU 34 1HB GLU 34 -1.768 5.304 -13.442
205 1HG GLU 34 2HG GLU 34 -1.116 7.553 -13.458
206 2HG GLU 34 1HG GLU 34 0.030 7.325 -12.135
207 H GLN 35 H GLN 35 -2.969 7.364 -12.817
208 HA GLN 35 HA GLN 35 -5.569 7.302 -11.692
209 1HB GLN 35 2HB GLN 35 -4.504 8.936 -13.431
210 2HB GLN 35 1HB GLN 35 -5.118 7.793 -14.626
211 1HG GLN 35 2HG GLN 35 -7.349 8.196 -14.064
212 2HG GLN 35 1HG GLN 35 -6.940 8.790 -12.454
213 1HE2 GLN 35 1HE2 GLN 35 -8.593 10.456 -13.860
214 2HE2 GLN 35 2HE2 GLN 35 -7.748 11.799 -14.464
215 H CYS 36 H CYS 36 -6.137 5.073 -11.373
216 HA CYS 36 HA CYS 36 -7.166 3.051 -11.983
217 1HB CYS 36 2HB CYS 36 -7.962 5.018 -14.031
218 2HB CYS 36 1HB CYS 36 -8.047 3.342 -14.566
219 H LYS 37 H LYS 37 -4.364 3.123 -12.338
220 HA LYS 37 HA LYS 37 -4.076 1.069 -14.405
221 1HB LYS 37 2HB LYS 37 -3.524 3.800 -15.053
222 2HB LYS 37 1HB LYS 37 -1.993 2.927 -14.999
223 1HG LYS 37 2HG LYS 37 -2.456 1.982 -16.984
224 2HG LYS 37 1HG LYS 37 -3.911 1.256 -16.299
225 1HD LYS 37 2HD LYS 37 -4.610 3.928 -16.649
226 2HD LYS 37 1HD LYS 37 -3.658 3.548 -18.086
227 1HE LYS 37 2HE LYS 37 -5.982 1.887 -17.067
228 2HE LYS 37 1HE LYS 37 -6.077 3.044 -18.397
229 1HZ LYS 37 1HZ LYS 37 -4.135 1.707 -19.359
230 2HZ LYS 37 2HZ LYS 37 -5.693 1.037 -19.451
231 3HZ LYS 37 3HZ LYS 37 -4.600 0.495 -18.268
232 H PHE 38 H PHE 38 -2.284 -0.235 -14.011
233 HA PHE 38 HA PHE 38 -1.068 -0.133 -11.413
234 1HB PHE 38 2HB PHE 38 -0.746 -1.754 -13.890
235 2HB PHE 38 1HB PHE 38 0.630 -1.729 -12.789
236 HD1 PHE 38 HD1 PHE 38 -0.430 -1.675 -10.144
237 HD2 PHE 38 HD2 PHE 38 -2.001 -3.684 -13.601
238 HE1 PHE 38 HE1 PHE 38 -1.583 -3.309 -8.675
239 HE2 PHE 38 HE2 PHE 38 -3.156 -5.313 -12.130
240 HZ PHE 38 HZ PHE 38 -2.948 -5.124 -9.667
241 H SER 39 H SER 39 0.686 1.066 -10.752
242 HA SER 39 HA SER 39 1.911 3.027 -12.359
243 1HB SER 39 2HB SER 39 2.557 1.764 -9.769
244 2HB SER 39 1HB SER 39 3.908 2.513 -10.601
245 HG SER 39 HG SER 39 3.011 4.424 -10.351
246 H ARG 40 H ARG 40 3.934 3.042 -13.498
247 HA ARG 40 HA ARG 40 4.580 0.508 -14.747
248 1HB ARG 40 2HB ARG 40 6.156 3.043 -14.998
249 2HB ARG 40 1HB ARG 40 6.024 1.737 -16.167
250 1HG ARG 40 2HG ARG 40 3.677 3.443 -15.298
251 2HG ARG 40 1HG ARG 40 4.648 3.783 -16.730
252 1HD ARG 40 2HD ARG 40 4.148 1.333 -17.405
253 2HD ARG 40 1HD ARG 40 2.871 1.407 -16.190
254 HE ARG 40 HE ARG 40 2.821 3.627 -18.101
255 1HH1 ARG 40 1HH1 ARG 40 2.079 0.298 -17.680
256 2HH1 ARG 40 2HH1 ARG 40 0.579 0.381 -18.542
257 1HH2 ARG 40 1HH2 ARG 40 0.769 3.802 -19.077
258 2HH2 ARG 40 2HH2 ARG 40 -0.163 2.364 -19.334
259 H ALA 41 H ALA 41 6.330 -0.815 -14.275
260 HA ALA 41 HA ALA 41 7.509 -0.900 -11.777
261 1HB ALA 41 1HB ALA 41 9.603 -1.764 -13.323
262 2HB ALA 41 2HB ALA 41 8.249 -1.928 -14.441
263 3HB ALA 41 3HB ALA 41 8.213 -2.758 -12.885
264 H GLY 42 H GLY 42 9.436 -0.062 -10.860
265 1HA GLY 42 2HA GLY 42 11.414 1.332 -10.924
266 2HA GLY 42 1HA GLY 42 10.764 2.108 -12.357
267 H LYS 43 H LYS 43 8.500 1.496 -9.844
268 HA LYS 43 HA LYS 43 8.450 4.409 -9.265
269 1HB LYS 43 2HB LYS 43 6.310 3.694 -9.993
270 2HB LYS 43 1HB LYS 43 6.390 2.220 -9.033
271 1HG LYS 43 2HG LYS 43 4.899 3.777 -7.918
272 2HG LYS 43 1HG LYS 43 6.368 3.634 -6.964
273 1HD LYS 43 2HD LYS 43 6.907 5.810 -7.279
274 2HD LYS 43 1HD LYS 43 6.559 5.721 -9.006
275 1HE LYS 43 2HE LYS 43 4.054 5.516 -7.756
276 2HE LYS 43 1HE LYS 43 4.907 6.772 -6.859
277 1HZ LYS 43 1HZ LYS 43 3.623 7.456 -8.935
278 2HZ LYS 43 2HZ LYS 43 4.892 6.742 -9.812
279 3HZ LYS 43 3HZ LYS 43 5.206 8.040 -8.764
280 H ILE 44 H ILE 44 9.145 5.107 -7.272
281 HA ILE 44 HA ILE 44 9.976 3.082 -5.311
282 HB ILE 44 HB ILE 44 11.384 5.070 -5.740
283 1HG1 ILE 44 2HG1 ILE 44 11.706 5.711 -3.359
284 2HG1 ILE 44 1HG1 ILE 44 10.163 4.957 -2.960
285 1HG2 ILE 44 1HG2 ILE 44 9.167 6.482 -6.005
286 2HG2 ILE 44 2HG2 ILE 44 10.642 7.244 -5.411
287 3HG2 ILE 44 3HG2 ILE 44 9.383 6.752 -4.277
288 1HD1 ILE 44 1HD1 ILE 44 11.673 3.063 -4.457
289 2HD1 ILE 44 2HD1 ILE 44 11.196 2.972 -2.762
290 3HD1 ILE 44 3HD1 ILE 44 12.731 3.717 -3.207
291 H CYS 45 H CYS 45 8.217 2.188 -4.340
292 HA CYS 45 HA CYS 45 5.906 3.759 -3.478
293 1HB CYS 45 2HB CYS 45 5.256 1.587 -2.378
294 2HB CYS 45 1HB CYS 45 5.539 1.463 -4.110
295 H ARG 46 H ARG 46 9.004 3.235 -2.179
296 HA ARG 46 HA ARG 46 8.162 4.443 0.343
297 1HB ARG 46 2HB ARG 46 8.259 1.603 0.126
298 2HB ARG 46 1HB ARG 46 9.593 2.113 1.162
299 1HG ARG 46 2HG ARG 46 8.184 2.633 2.842
300 2HG ARG 46 1HG ARG 46 7.174 3.603 1.769
301 1HD ARG 46 2HD ARG 46 5.742 1.859 1.308
302 2HD ARG 46 1HD ARG 46 7.003 0.640 1.489
303 HE ARG 46 HE ARG 46 6.609 0.634 3.855
304 1HH1 ARG 46 1HH1 ARG 46 5.415 3.564 2.655
305 2HH1 ARG 46 2HH1 ARG 46 4.061 3.641 3.733
306 1HH2 ARG 46 1HH2 ARG 46 4.573 0.467 5.031
307 2HH2 ARG 46 2HH2 ARG 46 3.584 1.888 5.077
308 H ILE 47 H ILE 47 10.160 4.281 1.954
309 HA ILE 47 HA ILE 47 12.645 4.837 0.381
310 HB ILE 47 HB ILE 47 11.556 6.896 1.322
311 1HG1 ILE 47 2HG1 ILE 47 13.625 7.644 2.628
312 2HG1 ILE 47 1HG1 ILE 47 14.236 6.003 2.414
313 1HG2 ILE 47 1HG2 ILE 47 12.050 5.409 3.914
314 2HG2 ILE 47 2HG2 ILE 47 10.508 6.002 3.294
315 3HG2 ILE 47 3HG2 ILE 47 11.738 7.143 3.840
316 1HD1 ILE 47 1HD1 ILE 47 13.658 8.081 0.307
317 2HD1 ILE 47 2HD1 ILE 47 13.736 6.367 -0.104
318 3HD1 ILE 47 3HD1 ILE 47 15.146 7.175 0.580
319 H ALA 48 H ALA 48 14.653 4.370 1.628
320 HA ALA 48 HA ALA 48 14.190 2.301 3.706
321 1HB ALA 48 1HB ALA 48 16.374 2.493 1.636
322 2HB ALA 48 2HB ALA 48 15.078 1.297 1.692
323 3HB ALA 48 3HB ALA 48 16.334 1.296 2.931
324 H ARG 49 H ARG 49 14.921 2.806 5.677
325 HA ARG 49 HA ARG 49 17.238 4.679 5.878
326 1HB ARG 49 2HB ARG 49 16.245 5.576 7.912
327 2HB ARG 49 1HB ARG 49 15.184 5.838 6.529
328 1HG ARG 49 2HG ARG 49 14.624 3.267 7.702
329 2HG ARG 49 1HG ARG 49 14.547 4.509 8.950
330 1HD ARG 49 2HD ARG 49 12.662 5.420 8.079
331 2HD ARG 49 1HD ARG 49 13.280 5.321 6.430
332 HE ARG 49 HE ARG 49 12.162 3.251 6.191
333 1HH1 ARG 49 1HH2 ARG 49 10.082 4.184 8.061
334 2HH1 ARG 49 2HH2 ARG 49 10.067 2.949 9.276
335 1HH2 ARG 49 1HH1 ARG 49 13.155 1.654 8.374
336 2HH2 ARG 49 2HH1 ARG 49 11.808 1.518 9.454
337 H GLY 50 H GLY 50 15.897 1.690 6.722
338 1HA GLY 50 2HA GLY 50 17.943 1.283 8.838
339 2HA GLY 50 1HA GLY 50 16.434 0.363 8.753
340 H ASP 51 H ASP 51 16.211 -1.212 7.091
341 HA ASP 51 HA ASP 51 18.628 -2.414 6.084
342 1HB ASP 51 2HB ASP 51 15.740 -2.816 5.851
343 2HB ASP 51 1HB ASP 51 16.612 -3.187 4.374
344 H TRP 52 H TRP 52 18.608 -2.539 3.359
345 HA TRP 52 HA TRP 52 17.663 0.065 2.431
346 1HB TRP 52 2HB TRP 52 20.552 -0.633 2.670
347 2HB TRP 52 1HB TRP 52 19.994 0.542 1.465
348 HD1 TRP 52 HD1 TRP 52 17.940 2.234 2.684
349 HE1 TRP 52 HE1 TRP 52 18.234 3.606 4.810
350 HE3 TRP 52 HE3 TRP 52 21.723 -0.362 4.857
351 HZ2 TRP 52 HZ2 TRP 52 19.808 3.609 7.135
352 HZ3 TRP 52 HZ3 TRP 52 22.606 0.347 7.077
353 HH2 TRP 52 HH2 TRP 52 21.637 2.334 8.224
354 H ASN 53 H ASN 53 16.295 -0.981 1.188
355 HA ASN 53 HA ASN 53 17.275 -1.785 -1.452
356 1HB ASN 53 2HB ASN 53 16.725 -3.809 0.388
357 2HB ASN 53 1HB ASN 53 15.209 -3.645 -0.499
358 1HD2 ASN 53 1HD2 ASN 53 17.211 -5.877 -0.681
359 2HD2 ASN 53 2HD2 ASN 53 17.683 -5.930 -2.311
360 H ASP 54 H ASP 54 16.203 0.181 -2.028
361 HA ASP 54 HA ASP 54 13.648 0.994 -1.165
362 1HB ASP 54 2HB ASP 54 13.610 2.115 -3.552
363 2HB ASP 54 1HB ASP 54 14.791 2.643 -2.353
364 H ASP 55 H ASP 55 11.591 0.403 -1.707
365 HA ASP 55 HA ASP 55 11.256 -1.985 -3.372
366 1HB ASP 55 2HB ASP 55 9.414 -0.339 -1.686
367 2HB ASP 55 1HB ASP 55 8.790 -1.584 -2.760
368 H ARG 56 H ARG 56 11.500 -1.489 -5.515
369 HA ARG 56 HA ARG 56 10.218 0.939 -6.612
370 1HB ARG 56 2HB ARG 56 12.598 -0.151 -7.154
371 2HB ARG 56 1HB ARG 56 11.635 -1.053 -8.325
372 1HG ARG 56 2HG ARG 56 12.401 0.927 -9.435
373 2HG ARG 56 1HG ARG 56 10.688 1.160 -9.092
374 1HD ARG 56 2HD ARG 56 12.347 3.092 -8.534
375 2HD ARG 56 1HD ARG 56 11.110 2.669 -7.352
376 HE ARG 56 HE ARG 56 12.832 1.551 -6.031
377 1HH1 ARG 56 1HH2 ARG 56 14.298 1.689 -8.973
378 2HH1 ARG 56 2HH2 ARG 56 15.775 2.415 -8.438
379 1HH2 ARG 56 1HH1 ARG 56 14.577 3.149 -5.268
380 2HH2 ARG 56 2HH1 ARG 56 15.934 3.242 -6.340
381 H CYS 57 H CYS 57 8.006 0.287 -6.402
382 HA CYS 57 HA CYS 57 6.488 -1.818 -6.920
383 1HB CYS 57 2HB CYS 57 5.939 0.452 -8.811
384 2HB CYS 57 1HB CYS 57 4.798 -0.519 -7.893
385 H THR 58 H THR 58 6.129 -3.353 -8.457
386 HA THR 58 HA THR 58 7.970 -3.554 -10.692
387 HB THR 58 HB THR 58 7.018 -5.699 -11.052
388 HG1 THR 58 HG1 THR 58 4.964 -6.211 -10.413
389 1HG2 THR 58 1HG2 THR 58 7.469 -4.793 -8.334
390 2HG2 THR 58 2HG2 THR 58 7.891 -6.336 -9.076
391 3HG2 THR 58 3HG2 THR 58 6.293 -6.107 -8.367
392 H GLY 59 H GLY 59 6.188 -4.675 -12.650
393 1HA GLY 59 2HA GLY 59 5.034 -2.141 -13.682
394 2HA GLY 59 1HA GLY 59 5.398 -3.568 -14.651
395 H GLN 60 H GLN 60 3.943 -4.648 -11.869
396 HA GLN 60 HA GLN 60 1.170 -4.233 -12.827
397 1HB GLN 60 2HB GLN 60 2.482 -6.949 -12.518
398 2HB GLN 60 1HB GLN 60 0.743 -6.705 -12.688
399 1HG GLN 60 2HG GLN 60 1.668 -5.225 -14.782
400 2HG GLN 60 1HG GLN 60 2.882 -6.504 -14.720
401 1HE2 GLN 60 1HE2 GLN 60 0.934 -8.498 -13.606
402 2HE2 GLN 60 2HE2 GLN 60 -0.072 -8.926 -14.905
403 H SER 61 H SER 61 2.955 -3.647 -10.389
404 HA SER 61 HA SER 61 1.232 -4.996 -8.350
405 1HB SER 61 2HB SER 61 3.436 -5.583 -7.799
406 2HB SER 61 1HB SER 61 4.078 -4.020 -8.295
407 HG SER 61 HG SER 61 3.019 -4.826 -5.899
408 H ALA 62 H ALA 62 -0.136 -3.711 -7.208
409 HA ALA 62 HA ALA 62 0.122 -0.763 -7.550
410 1HB ALA 62 1HB ALA 62 -2.069 -1.596 -8.140
411 2HB ALA 62 2HB ALA 62 -2.226 -0.752 -6.599
412 3HB ALA 62 3HB ALA 62 -2.180 -2.515 -6.638
413 H ASP 63 H ASP 63 0.385 -3.316 -5.217
414 HA ASP 63 HA ASP 63 0.376 -1.391 -2.964
415 1HB ASP 63 2HB ASP 63 0.899 -4.326 -2.730
416 2HB ASP 63 1HB ASP 63 0.231 -3.236 -1.524
417 H CYS 64 H CYS 64 2.263 -2.287 -1.272
418 HA CYS 64 HA CYS 64 4.776 -2.632 -2.801
419 1HB CYS 64 2HB CYS 64 4.583 -0.229 -2.685
420 2HB CYS 64 1HB CYS 64 4.206 -0.292 -0.965
421 HA PRO 65 HA PRO 65 5.452 -5.149 0.756
422 1HB PRO 65 2HB PRO 65 7.785 -6.206 -0.210
423 2HB PRO 65 1HB PRO 65 6.191 -6.768 -0.714
424 1HG PRO 65 2HG PRO 65 8.180 -5.139 -2.202
425 2HG PRO 65 1HG PRO 65 6.868 -6.151 -2.826
426 1HD PRO 65 2HD PRO 65 6.858 -3.320 -2.597
427 2HD PRO 65 1HD PRO 65 5.472 -4.359 -2.994
428 H ARG 66 H ARG 66 6.600 -4.697 2.646
429 HA ARG 66 HA ARG 66 8.453 -2.449 2.625
430 1HB ARG 66 2HB ARG 66 6.784 -3.753 4.555
431 2HB ARG 66 1HB ARG 66 8.437 -3.718 5.170
432 1HG ARG 66 2HG ARG 66 8.567 -1.309 4.798
433 2HG ARG 66 1HG ARG 66 6.964 -1.310 4.064
434 1HD ARG 66 2HD ARG 66 6.547 -0.627 6.282
435 2HD ARG 66 1HD ARG 66 6.174 -2.350 6.308
436 HE ARG 66 HE ARG 66 8.856 -1.356 7.177
437 1HH1 ARG 66 1HH2 ARG 66 6.966 -1.226 9.402
438 2HH1 ARG 66 2HH2 ARG 66 7.037 -2.816 10.087
439 1HH2 ARG 66 1HH1 ARG 66 8.515 -4.242 7.294
440 2HH2 ARG 66 2HH1 ARG 66 7.915 -4.522 8.893
441 H TYR 67 H TYR 67 10.673 -2.552 3.157
442 HA TYR 67 HA TYR 67 11.854 -5.252 3.415
443 1HB TYR 67 2HB TYR 67 12.017 -3.620 1.115
444 2HB TYR 67 1HB TYR 67 13.597 -3.564 1.892
445 HD1 TYR 67 HD1 TYR 67 15.104 -5.150 1.115
446 HD2 TYR 67 HD2 TYR 67 10.936 -6.161 1.341
447 HE1 TYR 67 HE1 TYR 67 15.609 -7.424 0.262
448 HE2 TYR 67 HE2 TYR 67 11.441 -8.434 0.490
449 HH TYR 67 HH TYR 67 14.565 -9.270 -0.776
450 H HIS 68 HN HIS 68 11.483 -2.332 4.811
451 HA HIS 68 HA HIS 68 13.930 -2.667 6.416
452 1HB HIS 68 2HB HIS 68 14.100 0.021 6.091
453 2HB HIS 68 1HB HIS 68 15.031 -1.124 5.126
454 HD1 HIS 68 HD1 HIS 68 14.489 -1.287 2.650
455 HD2 HIS 68 HD2 HIS 68 11.723 1.032 4.733
456 HE1 HIS 68 HE1 HIS 68 13.017 -0.191 0.905
Start of MODEL 5
1 1H GLY 1 1HT GLY 1 -14.282 -15.344 -4.567
2 2H GLY 1 2HT GLY 1 -12.702 -14.721 -4.563
3 3H GLY 1 3HT GLY 1 -13.280 -15.567 -5.917
4 1HA GLY 1 1HA GLY 1 -13.977 -13.684 -6.811
5 2HA GLY 1 2HA GLY 1 -15.067 -13.487 -5.440
6 H LYS 2 H LYS 2 -14.743 -11.636 -4.319
7 HA LYS 2 HA LYS 2 -12.137 -10.757 -3.462
8 1HB LYS 2 2HB LYS 2 -12.745 -10.029 -6.081
9 2HB LYS 2 1HB LYS 2 -13.164 -8.596 -5.141
10 1HG LYS 2 2HG LYS 2 -10.853 -8.346 -5.670
11 2HG LYS 2 1HG LYS 2 -10.891 -8.876 -3.988
12 1HD LYS 2 2HD LYS 2 -10.224 -11.065 -4.531
13 2HD LYS 2 1HD LYS 2 -10.694 -10.887 -6.221
14 1HE LYS 2 2HE LYS 2 -8.869 -8.977 -6.207
15 2HE LYS 2 1HE LYS 2 -8.246 -9.872 -4.821
16 1HZ LYS 2 1HZ LYS 2 -7.220 -10.688 -6.806
17 2HZ LYS 2 2HZ LYS 2 -8.728 -10.935 -7.551
18 3HZ LYS 2 3HZ LYS 2 -8.268 -11.884 -6.219
19 H GLU 3 H GLU 3 -12.945 -7.902 -3.430
20 HA GLU 3 HA GLU 3 -15.518 -7.739 -2.093
21 1HB GLU 3 2HB GLU 3 -13.624 -8.756 -0.471
22 2HB GLU 3 1HB GLU 3 -13.338 -7.035 -0.237
23 1HG GLU 3 2HG GLU 3 -15.067 -7.020 1.203
24 2HG GLU 3 1HG GLU 3 -16.126 -7.309 -0.177
25 H CYS 4 H CYS 4 -14.742 -5.511 -0.428
26 HA CYS 4 HA CYS 4 -15.016 -3.360 -2.262
27 1HB CYS 4 2HB CYS 4 -14.142 -3.585 0.592
28 2HB CYS 4 1HB CYS 4 -13.959 -2.043 -0.220
29 H ASP 5 H ASP 5 -13.419 -3.693 -3.919
30 HA ASP 5 HA ASP 5 -10.641 -4.009 -3.545
31 1HB ASP 5 2HB ASP 5 -11.756 -4.143 -5.758
32 2HB ASP 5 1HB ASP 5 -12.006 -2.395 -5.718
33 H CYS 6 H CYS 6 -12.633 -1.081 -3.495
34 HA CYS 6 HA CYS 6 -10.220 0.368 -2.480
35 1HB CYS 6 2HB CYS 6 -10.829 2.307 -3.650
36 2HB CYS 6 1HB CYS 6 -11.233 1.034 -4.793
37 H SER 7 H SER 7 -11.013 2.399 -1.153
38 HA SER 7 HA SER 7 -13.199 1.435 0.646
39 1HB SER 7 2HB SER 7 -12.070 2.527 2.469
40 2HB SER 7 1HB SER 7 -10.859 1.582 1.607
41 HG SER 7 HG SER 7 -11.034 4.263 1.982
42 H SER 8 H SER 8 -12.121 3.985 -1.413
43 HA SER 8 HA SER 8 -14.075 5.894 -0.276
44 1HB SER 8 2HB SER 8 -11.633 6.113 -1.769
45 2HB SER 8 1HB SER 8 -12.923 6.946 -2.628
46 HG SER 8 HG SER 8 -12.126 7.286 0.078
47 HA PRO 9 HA PRO 9 -17.010 4.568 -3.330
48 1HB PRO 9 2HB PRO 9 -18.919 6.457 -2.735
49 2HB PRO 9 1HB PRO 9 -18.643 5.002 -1.763
50 1HG PRO 9 2HG PRO 9 -17.889 7.825 -1.169
51 2HG PRO 9 1HG PRO 9 -18.221 6.492 -0.049
52 1HD PRO 9 2HD PRO 9 -15.658 7.449 -0.771
53 2HD PRO 9 1HD PRO 9 -16.005 5.921 0.068
54 H GLU 10 H GLU 10 -15.380 7.579 -3.238
55 HA GLU 10 HA GLU 10 -16.673 8.577 -5.711
56 1HB GLU 10 2HB GLU 10 -14.753 9.715 -3.703
57 2HB GLU 10 1HB GLU 10 -14.837 10.426 -5.315
58 1HG GLU 10 2HG GLU 10 -16.480 11.672 -4.279
59 2HG GLU 10 1HG GLU 10 -17.460 10.308 -4.823
60 H ASN 11 H ASN 11 -13.866 6.833 -4.694
61 HA ASN 11 HA ASN 11 -12.058 7.478 -6.778
62 1HB ASN 11 2HB ASN 11 -11.835 5.930 -4.634
63 2HB ASN 11 1HB ASN 11 -12.244 4.661 -5.789
64 1HD2 ASN 11 1HD2 ASN 11 -9.925 3.929 -5.362
65 2HD2 ASN 11 2HD2 ASN 11 -8.677 4.671 -6.242
66 HA PRO 12 HA PRO 12 -14.402 5.659 -10.123
67 1HB PRO 12 2HB PRO 12 -12.653 6.429 -12.098
68 2HB PRO 12 1HB PRO 12 -13.851 7.516 -11.375
69 1HG PRO 12 2HG PRO 12 -10.901 7.428 -10.950
70 2HG PRO 12 1HG PRO 12 -12.019 8.793 -10.784
71 1HD PRO 12 2HD PRO 12 -10.943 7.258 -8.660
72 2HD PRO 12 1HD PRO 12 -12.297 8.403 -8.542
73 H CYS 13 H CYS 13 -11.338 4.821 -8.935
74 HA CYS 13 HA CYS 13 -10.714 2.757 -10.935
75 1HB CYS 13 2HB CYS 13 -9.510 3.165 -8.192
76 2HB CYS 13 1HB CYS 13 -8.816 2.263 -9.530
77 H CYS 14 H CYS 14 -13.156 2.874 -8.832
78 HA CYS 14 HA CYS 14 -13.148 -0.056 -8.561
79 1HB CYS 14 2HB CYS 14 -13.564 -0.008 -6.141
80 2HB CYS 14 1HB CYS 14 -11.996 0.704 -6.520
81 H ASP 15 H ASP 15 -15.099 -0.542 -9.413
82 HA ASP 15 HA ASP 15 -17.318 1.079 -9.771
83 1HB ASP 15 2HB ASP 15 -16.846 -1.466 -10.351
84 2HB ASP 15 1HB ASP 15 -17.799 -1.717 -8.895
85 H ALA 16 H ALA 16 -18.419 2.267 -8.280
86 HA ALA 16 HA ALA 16 -18.271 1.686 -5.454
87 1HB ALA 16 1HB ALA 16 -19.736 3.621 -5.193
88 2HB ALA 16 2HB ALA 16 -20.107 3.599 -6.916
89 3HB ALA 16 3HB ALA 16 -18.478 3.992 -6.371
90 H ALA 17 H ALA 17 -20.259 0.533 -7.967
91 HA ALA 17 HA ALA 17 -22.576 0.013 -6.212
92 1HB ALA 17 1HB ALA 17 -22.681 -1.389 -8.728
93 2HB ALA 17 2HB ALA 17 -22.184 0.281 -9.000
94 3HB ALA 17 3HB ALA 17 -23.696 -0.063 -8.160
95 H THR 18 H THR 18 -19.621 -1.459 -6.839
96 HA THR 18 HA THR 18 -20.664 -4.037 -5.765
97 HB THR 18 HB THR 18 -19.307 -5.306 -7.351
98 HG1 THR 18 HG1 THR 18 -18.236 -4.143 -9.017
99 1HG2 THR 18 1HG2 THR 18 -20.550 -3.517 -9.311
100 2HG2 THR 18 2HG2 THR 18 -21.619 -3.917 -7.966
101 3HG2 THR 18 3HG2 THR 18 -20.912 -5.204 -8.943
102 H CYS 19 H CYS 19 -18.756 -1.536 -5.127
103 HA CYS 19 HA CYS 19 -16.689 -1.230 -4.023
104 1HB CYS 19 2HB CYS 19 -18.358 -2.933 -2.538
105 2HB CYS 19 1HB CYS 19 -16.774 -3.657 -2.479
106 H LYS 20 H LYS 20 -15.750 -1.929 -6.234
107 HA LYS 20 HA LYS 20 -13.594 -3.785 -5.713
108 1HB LYS 20 2HB LYS 20 -16.024 -4.705 -7.105
109 2HB LYS 20 1HB LYS 20 -14.503 -5.086 -7.920
110 1HG LYS 20 2HG LYS 20 -13.786 -5.817 -5.467
111 2HG LYS 20 1HG LYS 20 -15.527 -6.010 -5.262
112 1HD LYS 20 2HD LYS 20 -13.699 -7.422 -7.207
113 2HD LYS 20 1HD LYS 20 -14.798 -8.129 -6.024
114 1HE LYS 20 2HE LYS 20 -15.579 -6.633 -8.544
115 2HE LYS 20 1HE LYS 20 -15.780 -8.359 -8.240
116 1HZ LYS 20 1HZ LYS 20 -17.337 -7.902 -6.519
117 2HZ LYS 20 2HZ LYS 20 -17.815 -7.008 -7.882
118 3HZ LYS 20 3HZ LYS 20 -17.031 -6.236 -6.587
119 H LEU 21 H LEU 21 -12.286 -4.053 -7.854
120 HA LEU 21 HA LEU 21 -11.739 -1.472 -8.899
121 1HB LEU 21 2HB LEU 21 -10.963 -4.240 -9.598
122 2HB LEU 21 1HB LEU 21 -10.858 -3.065 -10.909
123 HG LEU 21 HG LEU 21 -9.612 -2.683 -8.177
124 1HD1 LEU 21 1HD1 LEU 21 -7.586 -3.425 -9.014
125 2HD1 LEU 21 2HD1 LEU 21 -8.029 -3.062 -10.681
126 3HD1 LEU 21 3HD1 LEU 21 -8.691 -4.489 -9.883
127 1HD2 LEU 21 1HD2 LEU 21 -8.454 -1.075 -10.189
128 2HD2 LEU 21 2HD2 LEU 21 -9.391 -0.561 -8.791
129 3HD2 LEU 21 3HD2 LEU 21 -10.204 -0.898 -10.317
130 H ARG 22 H ARG 22 -12.146 -0.592 -10.957
131 HA ARG 22 HA ARG 22 -14.722 -1.458 -12.129
132 1HB ARG 22 2HB ARG 22 -14.471 0.944 -11.753
133 2HB ARG 22 1HB ARG 22 -12.939 0.954 -12.627
134 1HG ARG 22 2HG ARG 22 -13.980 0.609 -14.707
135 2HG ARG 22 1HG ARG 22 -15.459 -0.006 -13.968
136 1HD ARG 22 2HD ARG 22 -14.553 2.821 -13.465
137 2HD ARG 22 1HD ARG 22 -15.480 2.416 -14.910
138 HE ARG 22 HE ARG 22 -16.577 1.617 -12.264
139 1HH1 ARG 22 1HH1 ARG 22 -16.931 4.518 -12.553
140 2HH1 ARG 22 2HH1 ARG 22 -18.415 4.651 -13.437
141 1HH2 ARG 22 1HH2 ARG 22 -18.374 1.356 -14.516
142 2HH2 ARG 22 2HH2 ARG 22 -19.233 2.860 -14.548
143 HA PRO 23 HA PRO 23 -12.402 -3.802 -15.118
144 1HB PRO 23 2HB PRO 23 -14.480 -4.120 -16.917
145 2HB PRO 23 1HB PRO 23 -14.266 -5.098 -15.452
146 1HG PRO 23 2HG PRO 23 -16.126 -2.781 -15.918
147 2HG PRO 23 1HG PRO 23 -16.385 -4.250 -14.957
148 1HD PRO 23 2HD PRO 23 -15.738 -1.827 -13.806
149 2HD PRO 23 1HD PRO 23 -15.300 -3.385 -13.092
150 H GLY 24 H GLY 24 -11.250 -1.693 -15.463
151 1HA GLY 24 2HA GLY 24 -10.933 -1.053 -18.176
152 2HA GLY 24 1HA GLY 24 -11.957 0.202 -17.466
153 H ALA 25 H ALA 25 -9.482 -1.600 -15.714
154 HA ALA 25 HA ALA 25 -7.432 0.422 -15.871
155 1HB ALA 25 1HB ALA 25 -9.478 0.521 -13.706
156 2HB ALA 25 2HB ALA 25 -8.545 1.833 -14.422
157 3HB ALA 25 3HB ALA 25 -7.802 0.774 -13.225
158 H GLN 26 H GLN 26 -6.188 -0.079 -13.376
159 HA GLN 26 HA GLN 26 -6.112 -3.028 -13.118
160 1HB GLN 26 2HB GLN 26 -4.260 -1.630 -14.718
161 2HB GLN 26 1HB GLN 26 -3.402 -2.037 -13.233
162 1HG GLN 26 2HG GLN 26 -3.375 -4.242 -13.728
163 2HG GLN 26 1HG GLN 26 -5.068 -4.233 -14.219
164 1HE2 GLN 26 1HE2 GLN 26 -5.557 -3.844 -16.479
165 2HE2 GLN 26 2HE2 GLN 26 -4.349 -3.835 -17.670
166 H CYS 27 H CYS 27 -6.787 -0.652 -11.352
167 HA CYS 27 HA CYS 27 -5.718 -1.684 -8.945
168 1HB CYS 27 2HB CYS 27 -4.130 0.142 -8.335
169 2HB CYS 27 1HB CYS 27 -3.561 -0.844 -9.680
170 H GLY 28 H GLY 28 -7.046 -1.004 -7.356
171 1HA GLY 28 2HA GLY 28 -8.764 1.351 -7.914
172 2HA GLY 28 1HA GLY 28 -9.126 0.079 -6.754
173 H GLU 29 H GLU 29 -6.057 0.445 -6.050
174 HA GLU 29 HA GLU 29 -5.793 3.024 -4.879
175 1HB GLU 29 2HB GLU 29 -6.342 2.560 -2.547
176 2HB GLU 29 1HB GLU 29 -7.757 2.271 -3.560
177 1HG GLU 29 2HG GLU 29 -7.863 0.205 -2.664
178 2HG GLU 29 1HG GLU 29 -6.384 -0.170 -3.548
179 H GLY 30 H GLY 30 -3.733 3.263 -4.180
180 1HA GLY 30 2HA GLY 30 -2.123 1.347 -2.849
181 2HA GLY 30 1HA GLY 30 -1.781 1.233 -4.575
182 H LEU 31 H LEU 31 0.453 2.120 -3.845
183 HA LEU 31 HA LEU 31 0.237 5.052 -3.403
184 1HB LEU 31 2HB LEU 31 1.706 3.082 -2.090
185 2HB LEU 31 1HB LEU 31 2.872 3.989 -3.038
186 HG LEU 31 HG LEU 31 0.898 5.056 -1.045
187 1HD1 LEU 31 1HD1 LEU 31 3.355 5.957 -0.298
188 2HD1 LEU 31 2HD1 LEU 31 3.786 4.415 -1.040
189 3HD1 LEU 31 3HD1 LEU 31 2.642 4.459 0.301
190 1HD2 LEU 31 1HD2 LEU 31 1.236 6.531 -3.091
191 2HD2 LEU 31 2HD2 LEU 31 2.938 6.629 -2.645
192 3HD2 LEU 31 3HD2 LEU 31 1.705 7.277 -1.565
193 H CYS 32 H CYS 32 1.289 2.535 -5.478
194 HA CYS 32 HA CYS 32 2.472 4.505 -7.372
195 1HB CYS 32 2HB CYS 32 3.177 1.648 -6.759
196 2HB CYS 32 1HB CYS 32 3.524 2.317 -8.355
197 H CYS 33 H CYS 33 -0.199 4.424 -7.485
198 HA CYS 33 HA CYS 33 -0.727 2.774 -9.915
199 1HB CYS 33 2HB CYS 33 -2.003 1.511 -8.462
200 2HB CYS 33 1HB CYS 33 -2.235 2.843 -7.338
201 H GLU 34 H GLU 34 -0.945 4.292 -11.491
202 HA GLU 34 HA GLU 34 -1.659 7.013 -11.090
203 1HB GLU 34 2HB GLU 34 -0.765 5.562 -13.221
204 2HB GLU 34 1HB GLU 34 -2.447 5.832 -13.666
205 1HG GLU 34 2HG GLU 34 -1.961 8.305 -12.937
206 2HG GLU 34 1HG GLU 34 -0.277 7.848 -13.197
207 H GLN 35 H GLN 35 -3.778 7.668 -12.692
208 HA GLN 35 HA GLN 35 -6.028 7.159 -11.042
209 1HB GLN 35 2HB GLN 35 -7.359 8.062 -12.970
210 2HB GLN 35 1HB GLN 35 -5.989 9.077 -12.525
211 1HG GLN 35 2HG GLN 35 -4.724 7.584 -14.313
212 2HG GLN 35 1HG GLN 35 -6.357 7.349 -14.938
213 1HE2 GLN 35 1HE2 GLN 35 -4.619 8.759 -16.577
214 2HE2 GLN 35 2HE2 GLN 35 -5.014 10.410 -16.578
215 H CYS 36 H CYS 36 -6.185 4.887 -10.732
216 HA CYS 36 HA CYS 36 -6.956 2.729 -11.215
217 1HB CYS 36 2HB CYS 36 -8.246 3.784 -13.718
218 2HB CYS 36 1HB CYS 36 -8.845 2.573 -12.582
219 H LYS 37 H LYS 37 -4.361 3.259 -12.075
220 HA LYS 37 HA LYS 37 -4.137 1.338 -14.276
221 1HB LYS 37 2HB LYS 37 -4.130 4.144 -14.847
222 2HB LYS 37 1HB LYS 37 -2.501 3.520 -15.113
223 1HG LYS 37 2HG LYS 37 -4.437 1.645 -16.140
224 2HG LYS 37 1HG LYS 37 -4.738 3.244 -16.822
225 1HD LYS 37 2HD LYS 37 -2.433 3.417 -17.573
226 2HD LYS 37 1HD LYS 37 -2.019 1.904 -16.767
227 1HE LYS 37 2HE LYS 37 -4.243 1.915 -18.779
228 2HE LYS 37 1HE LYS 37 -2.573 1.913 -19.348
229 1HZ LYS 37 1HZ LYS 37 -2.169 -0.037 -17.938
230 2HZ LYS 37 2HZ LYS 37 -3.358 -0.332 -19.115
231 3HZ LYS 37 3HZ LYS 37 -3.806 -0.056 -17.499
232 H PHE 38 H PHE 38 -2.585 0.023 -13.416
233 HA PHE 38 HA PHE 38 -0.790 0.518 -11.370
234 1HB PHE 38 2HB PHE 38 -0.509 -1.193 -13.841
235 2HB PHE 38 1HB PHE 38 0.780 -1.115 -12.646
236 HD1 PHE 38 HD1 PHE 38 -0.840 -0.855 -10.131
237 HD2 PHE 38 HD2 PHE 38 -1.349 -3.386 -13.565
238 HE1 PHE 38 HE1 PHE 38 -2.021 -2.526 -8.729
239 HE2 PHE 38 HE2 PHE 38 -2.533 -5.052 -12.162
240 HZ PHE 38 HZ PHE 38 -2.868 -4.622 -9.743
241 H SER 39 H SER 39 0.776 2.071 -11.138
242 HA SER 39 HA SER 39 1.650 3.757 -13.262
243 1HB SER 39 2HB SER 39 3.381 3.208 -10.889
244 2HB SER 39 1HB SER 39 3.124 4.726 -11.735
245 HG SER 39 HG SER 39 0.841 4.401 -10.967
246 H ARG 40 H ARG 40 4.475 3.701 -13.108
247 HA ARG 40 HA ARG 40 4.966 1.254 -14.669
248 1HB ARG 40 2HB ARG 40 5.916 3.964 -14.788
249 2HB ARG 40 1HB ARG 40 7.281 2.858 -14.653
250 1HG ARG 40 2HG ARG 40 5.243 1.875 -16.500
251 2HG ARG 40 1HG ARG 40 5.885 3.444 -16.990
252 1HD ARG 40 2HD ARG 40 7.403 1.955 -17.977
253 2HD ARG 40 1HD ARG 40 8.212 2.373 -16.467
254 HE ARG 40 HE ARG 40 7.859 0.156 -15.716
255 1HH1 ARG 40 1HH1 ARG 40 8.044 -0.596 -18.626
256 2HH1 ARG 40 2HH1 ARG 40 6.619 -1.560 -18.834
257 1HH2 ARG 40 1HH2 ARG 40 5.116 -0.446 -15.915
258 2HH2 ARG 40 2HH2 ARG 40 4.961 -1.475 -17.300
259 H ALA 41 H ALA 41 6.365 -0.336 -13.955
260 HA ALA 41 HA ALA 41 6.948 -0.582 -11.203
261 1HB ALA 41 1HB ALA 41 7.852 -2.594 -11.767
262 2HB ALA 41 2HB ALA 41 8.867 -1.894 -13.026
263 3HB ALA 41 3HB ALA 41 7.169 -2.242 -13.353
264 H GLY 42 H GLY 42 9.641 -1.169 -10.915
265 1HA GLY 42 2HA GLY 42 11.574 0.002 -10.246
266 2HA GLY 42 1HA GLY 42 11.545 0.618 -11.902
267 H LYS 43 H LYS 43 8.860 1.209 -9.780
268 HA LYS 43 HA LYS 43 9.623 4.075 -9.693
269 1HB LYS 43 2HB LYS 43 7.500 3.859 -10.755
270 2HB LYS 43 1HB LYS 43 6.960 2.648 -9.595
271 1HG LYS 43 2HG LYS 43 5.862 4.656 -8.943
272 2HG LYS 43 1HG LYS 43 7.196 4.488 -7.813
273 1HD LYS 43 2HD LYS 43 8.526 6.094 -8.995
274 2HD LYS 43 1HD LYS 43 7.408 6.103 -10.359
275 1HE LYS 43 2HE LYS 43 5.648 6.844 -8.556
276 2HE LYS 43 1HE LYS 43 7.074 7.322 -7.634
277 1HZ LYS 43 1HZ LYS 43 7.784 8.510 -9.738
278 2HZ LYS 43 2HZ LYS 43 6.490 9.194 -8.876
279 3HZ LYS 43 3HZ LYS 43 6.193 8.293 -10.285
280 H ILE 44 H ILE 44 9.305 5.169 -7.567
281 HA ILE 44 HA ILE 44 10.015 3.340 -5.413
282 HB ILE 44 HB ILE 44 10.139 6.204 -5.884
283 1HG1 ILE 44 2HG1 ILE 44 12.014 4.550 -5.536
284 2HG1 ILE 44 1HG1 ILE 44 12.111 5.986 -4.515
285 1HG2 ILE 44 1HG2 ILE 44 10.042 6.738 -3.382
286 2HG2 ILE 44 2HG2 ILE 44 9.162 5.220 -3.196
287 3HG2 ILE 44 3HG2 ILE 44 8.487 6.515 -4.184
288 1HD1 ILE 44 1HD1 ILE 44 10.954 4.695 -2.701
289 2HD1 ILE 44 2HD1 ILE 44 12.536 4.048 -3.129
290 3HD1 ILE 44 3HD1 ILE 44 11.073 3.256 -3.714
291 H CYS 45 H CYS 45 8.392 2.105 -4.636
292 HA CYS 45 HA CYS 45 5.669 3.220 -4.320
293 1HB CYS 45 2HB CYS 45 6.557 0.744 -5.044
294 2HB CYS 45 1HB CYS 45 6.223 0.505 -3.344
295 H ARG 46 H ARG 46 8.464 3.224 -2.532
296 HA ARG 46 HA ARG 46 7.189 4.157 -0.167
297 1HB ARG 46 2HB ARG 46 6.895 1.425 -0.360
298 2HB ARG 46 1HB ARG 46 8.344 1.577 0.634
299 1HG ARG 46 2HG ARG 46 7.050 3.273 2.033
300 2HG ARG 46 1HG ARG 46 5.607 2.752 1.162
301 1HD ARG 46 2HD ARG 46 6.560 0.338 1.857
302 2HD ARG 46 1HD ARG 46 7.234 1.287 3.182
303 HE ARG 46 HE ARG 46 4.441 1.904 2.791
304 1HH1 ARG 46 1HH2 ARG 46 6.228 1.246 5.304
305 2HH1 ARG 46 2HH2 ARG 46 5.325 -0.086 5.947
306 1HH2 ARG 46 1HH1 ARG 46 3.442 -0.542 3.072
307 2HH2 ARG 46 2HH1 ARG 46 3.750 -1.097 4.684
308 H ILE 47 H ILE 47 8.843 3.881 1.802
309 HA ILE 47 HA ILE 47 11.609 4.203 0.717
310 HB ILE 47 HB ILE 47 10.511 6.408 1.175
311 1HG1 ILE 47 2HG1 ILE 47 12.740 5.731 3.118
312 2HG1 ILE 47 1HG1 ILE 47 12.983 6.056 1.400
313 1HG2 ILE 47 1HG2 ILE 47 9.274 6.669 3.033
314 2HG2 ILE 47 2HG2 ILE 47 10.692 6.354 4.033
315 3HG2 ILE 47 3HG2 ILE 47 9.664 5.018 3.515
316 1HD1 ILE 47 1HD1 ILE 47 11.779 8.269 1.779
317 2HD1 ILE 47 2HD1 ILE 47 13.373 8.131 2.524
318 3HD1 ILE 47 3HD1 ILE 47 11.920 7.946 3.507
319 H ALA 48 H ALA 48 13.265 4.000 2.525
320 HA ALA 48 HA ALA 48 12.283 2.204 4.663
321 1HB ALA 48 1HB ALA 48 13.355 0.649 3.357
322 2HB ALA 48 2HB ALA 48 14.705 1.189 4.354
323 3HB ALA 48 3HB ALA 48 14.501 1.828 2.723
324 H ARG 49 H ARG 49 13.836 2.046 6.533
325 HA ARG 49 HA ARG 49 15.420 4.538 6.907
326 1HB ARG 49 2HB ARG 49 13.484 3.475 8.911
327 2HB ARG 49 1HB ARG 49 14.395 4.972 9.025
328 1HG ARG 49 2HG ARG 49 12.565 5.954 8.111
329 2HG ARG 49 1HG ARG 49 13.098 5.225 6.596
330 1HD ARG 49 2HD ARG 49 10.696 4.724 7.199
331 2HD ARG 49 1HD ARG 49 11.697 3.294 6.948
332 HE ARG 49 HE ARG 49 11.517 2.807 9.266
333 1HH1 ARG 49 1HH1 ARG 49 8.760 3.800 9.165
334 2HH1 ARG 49 2HH1 ARG 49 8.729 5.015 10.398
335 1HH2 ARG 49 1HH2 ARG 49 12.181 5.305 10.565
336 2HH2 ARG 49 2HH2 ARG 49 10.668 5.870 11.192
337 H GLY 50 H GLY 50 15.482 1.260 6.964
338 1HA GLY 50 2HA GLY 50 17.677 1.264 8.944
339 2HA GLY 50 1HA GLY 50 16.407 0.057 9.114
340 H ASP 51 H ASP 51 15.985 -1.175 6.961
341 HA ASP 51 HA ASP 51 18.391 -2.500 6.163
342 1HB ASP 51 2HB ASP 51 15.581 -2.750 5.714
343 2HB ASP 51 1HB ASP 51 16.435 -2.827 4.174
344 H TRP 52 H TRP 52 16.170 -0.442 4.443
345 HA TRP 52 HA TRP 52 16.479 1.161 2.828
346 1HB TRP 52 2HB TRP 52 19.376 0.649 3.423
347 2HB TRP 52 1HB TRP 52 18.828 1.813 2.204
348 HD1 TRP 52 HD1 TRP 52 16.372 3.011 3.283
349 HE1 TRP 52 HE1 TRP 52 16.286 4.408 5.423
350 HE3 TRP 52 HE3 TRP 52 20.502 1.212 5.631
351 HZ2 TRP 52 HZ2 TRP 52 17.709 4.681 7.843
352 HZ3 TRP 52 HZ3 TRP 52 21.119 2.052 7.895
353 HH2 TRP 52 HH2 TRP 52 19.723 3.784 9.006
354 H ASN 53 H ASN 53 15.332 -0.352 1.755
355 HA ASN 53 HA ASN 53 16.470 -1.036 -0.843
356 1HB ASN 53 2HB ASN 53 15.798 -3.079 1.212
357 2HB ASN 53 1HB ASN 53 15.071 -3.349 -0.372
358 1HD2 ASN 53 1HD2 ASN 53 16.673 -5.286 -0.302
359 2HD2 ASN 53 2HD2 ASN 53 18.249 -5.001 -0.865
360 H ASP 54 H ASP 54 14.979 0.824 -1.065
361 HA ASP 54 HA ASP 54 12.300 0.867 -0.270
362 1HB ASP 54 2HB ASP 54 13.154 1.970 -2.917
363 2HB ASP 54 1HB ASP 54 11.981 2.628 -1.786
364 H ASP 55 H ASP 55 10.382 0.227 -1.197
365 HA ASP 55 HA ASP 55 10.515 -2.166 -2.867
366 1HB ASP 55 2HB ASP 55 7.900 -0.881 -2.404
367 2HB ASP 55 1HB ASP 55 8.366 -2.565 -2.216
368 H ARG 56 H ARG 56 11.361 -1.347 -4.874
369 HA ARG 56 HA ARG 56 10.270 0.847 -6.297
370 1HB ARG 56 2HB ARG 56 11.781 -1.592 -7.128
371 2HB ARG 56 1HB ARG 56 11.200 -0.447 -8.332
372 1HG ARG 56 2HG ARG 56 12.579 0.770 -6.017
373 2HG ARG 56 1HG ARG 56 13.604 -0.228 -7.050
374 1HD ARG 56 2HD ARG 56 12.806 1.039 -9.032
375 2HD ARG 56 1HD ARG 56 11.850 2.068 -7.967
376 HE ARG 56 HE ARG 56 14.359 2.326 -6.907
377 1HH1 ARG 56 1HH2 ARG 56 15.307 1.519 -9.689
378 2HH1 ARG 56 2HH2 ARG 56 15.510 3.069 -10.436
379 1HH2 ARG 56 1HH1 ARG 56 13.655 4.762 -8.044
380 2HH2 ARG 56 2HH1 ARG 56 14.575 4.904 -9.504
381 H CYS 57 H CYS 57 7.979 0.716 -6.199
382 HA CYS 57 HA CYS 57 6.141 -1.211 -6.519
383 1HB CYS 57 2HB CYS 57 5.414 0.562 -8.652
384 2HB CYS 57 1HB CYS 57 4.734 0.467 -7.039
385 H THR 58 H THR 58 5.421 -2.708 -8.017
386 HA THR 58 HA THR 58 7.296 -3.355 -10.174
387 HB THR 58 HB THR 58 6.184 -5.420 -10.312
388 HG1 THR 58 HG1 THR 58 4.078 -5.632 -10.043
389 1HG2 THR 58 1HG2 THR 58 5.308 -4.946 -7.523
390 2HG2 THR 58 2HG2 THR 58 6.988 -4.534 -7.874
391 3HG2 THR 58 3HG2 THR 58 6.399 -6.171 -8.169
392 H GLY 59 H GLY 59 6.055 -4.138 -12.315
393 1HA GLY 59 2HA GLY 59 4.769 -1.715 -13.361
394 2HA GLY 59 1HA GLY 59 5.222 -3.136 -14.301
395 H GLN 60 H GLN 60 3.685 -4.454 -11.764
396 HA GLN 60 HA GLN 60 0.970 -4.105 -12.963
397 1HB GLN 60 2HB GLN 60 2.097 -6.728 -11.945
398 2HB GLN 60 1HB GLN 60 0.562 -6.478 -12.781
399 1HG GLN 60 2HG GLN 60 1.562 -6.593 -14.797
400 2HG GLN 60 1HG GLN 60 2.764 -5.390 -14.326
401 1HE2 GLN 60 1HE2 GLN 60 4.876 -6.152 -14.034
402 2HE2 GLN 60 2HE2 GLN 60 5.299 -7.787 -13.875
403 H SER 61 H SER 61 2.619 -3.320 -10.375
404 HA SER 61 HA SER 61 0.595 -4.289 -8.404
405 1HB SER 61 2HB SER 61 2.796 -4.818 -7.638
406 2HB SER 61 1HB SER 61 3.409 -3.228 -8.083
407 HG SER 61 HG SER 61 2.837 -2.598 -6.174
408 H ALA 62 H ALA 62 -0.124 -2.635 -6.784
409 HA ALA 62 HA ALA 62 -0.039 0.137 -7.910
410 1HB ALA 62 1HB ALA 62 -2.398 -1.537 -7.120
411 2HB ALA 62 2HB ALA 62 -2.202 -0.444 -8.489
412 3HB ALA 62 3HB ALA 62 -2.468 0.209 -6.874
413 H ASP 63 H ASP 63 -0.354 -1.918 -5.031
414 HA ASP 63 HA ASP 63 -0.109 0.514 -3.336
415 1HB ASP 63 2HB ASP 63 -0.362 -2.341 -2.440
416 2HB ASP 63 1HB ASP 63 -0.543 -0.891 -1.456
417 H CYS 64 H CYS 64 1.402 -0.470 -1.228
418 HA CYS 64 HA CYS 64 3.932 -1.381 -2.490
419 1HB CYS 64 2HB CYS 64 3.896 0.992 -0.635
420 2HB CYS 64 1HB CYS 64 5.179 0.474 -1.741
421 HA PRO 65 HA PRO 65 3.947 -3.709 1.260
422 1HB PRO 65 2HB PRO 65 6.106 -5.216 0.516
423 2HB PRO 65 1HB PRO 65 4.466 -5.540 -0.047
424 1HG PRO 65 2HG PRO 65 6.780 -4.393 -1.513
425 2HG PRO 65 1HG PRO 65 5.344 -5.211 -2.149
426 1HD PRO 65 2HD PRO 65 5.816 -2.411 -2.114
427 2HD PRO 65 1HD PRO 65 4.292 -3.224 -2.526
428 H ARG 66 H ARG 66 5.145 -3.472 3.177
429 HA ARG 66 HA ARG 66 7.165 -1.415 3.267
430 1HB ARG 66 2HB ARG 66 7.191 -1.776 5.631
431 2HB ARG 66 1HB ARG 66 5.519 -2.012 5.124
432 1HG ARG 66 2HG ARG 66 6.647 -4.531 4.808
433 2HG ARG 66 1HG ARG 66 7.392 -3.931 6.291
434 1HD ARG 66 2HD ARG 66 4.688 -3.187 6.475
435 2HD ARG 66 1HD ARG 66 4.672 -4.837 5.854
436 HE ARG 66 HE ARG 66 6.347 -4.248 8.238
437 1HH1 ARG 66 1HH2 ARG 66 5.668 -7.022 7.181
438 2HH1 ARG 66 2HH2 ARG 66 4.443 -7.517 8.303
439 1HH2 ARG 66 1HH1 ARG 66 3.873 -4.315 9.502
440 2HH2 ARG 66 2HH1 ARG 66 3.427 -5.985 9.615
441 H TYR 67 H TYR 67 9.307 -1.929 4.475
442 HA TYR 67 HA TYR 67 10.395 -4.562 3.705
443 1HB TYR 67 2HB TYR 67 10.902 -2.257 2.228
444 2HB TYR 67 1HB TYR 67 12.315 -2.436 3.265
445 HD1 TYR 67 HD1 TYR 67 11.547 -3.035 0.101
446 HD2 TYR 67 HD2 TYR 67 12.546 -5.331 3.590
447 HE1 TYR 67 HE1 TYR 67 12.385 -4.867 -1.345
448 HE2 TYR 67 HE2 TYR 67 13.385 -7.162 2.144
449 HH TYR 67 HH TYR 67 12.706 -7.388 -1.114
450 H HIS 68 HN HIS 68 11.326 -1.454 5.209
451 HA HIS 68 HA HIS 68 12.924 -2.952 7.204
452 1HB HIS 68 2HB HIS 68 14.044 -1.022 6.318
453 2HB HIS 68 1HB HIS 68 12.630 -0.001 6.583
454 HD1 HIS 68 HD1 HIS 68 13.177 1.543 8.461
455 HD2 HIS 68 HD2 HIS 68 14.552 -2.322 9.205
456 HE1 HIS 68 HE1 HIS 68 14.156 1.568 10.797
Start of MODEL 6
1 1H GLY 1 1HT GLY 1 -9.013 -14.102 1.738
2 2H GLY 1 2HT GLY 1 -7.584 -13.798 0.871
3 3H GLY 1 3HT GLY 1 -9.086 -13.761 0.077
4 1HA GLY 1 1HA GLY 1 -8.465 -11.922 2.307
5 2HA GLY 1 2HA GLY 1 -8.036 -11.537 0.641
6 H LYS 2 H LYS 2 -9.560 -9.796 0.560
7 HA LYS 2 HA LYS 2 -12.407 -10.709 0.444
8 1HB LYS 2 2HB LYS 2 -11.186 -8.244 1.653
9 2HB LYS 2 1HB LYS 2 -12.826 -8.173 1.007
10 1HG LYS 2 2HG LYS 2 -13.659 -9.317 2.765
11 2HG LYS 2 1HG LYS 2 -12.417 -10.562 2.623
12 1HD LYS 2 2HD LYS 2 -10.890 -9.352 3.972
13 2HD LYS 2 1HD LYS 2 -11.806 -7.853 3.807
14 1HE LYS 2 2HE LYS 2 -13.531 -8.616 5.241
15 2HE LYS 2 1HE LYS 2 -13.004 -10.295 5.117
16 1HZ LYS 2 1HZ LYS 2 -11.917 -9.894 7.003
17 2HZ LYS 2 2HZ LYS 2 -12.081 -8.210 6.860
18 3HZ LYS 2 3HZ LYS 2 -10.812 -9.013 6.066
19 H GLU 3 H GLU 3 -13.584 -9.999 -1.347
20 HA GLU 3 HA GLU 3 -11.991 -8.934 -3.583
21 1HB GLU 3 2HB GLU 3 -14.285 -10.592 -3.310
22 2HB GLU 3 1HB GLU 3 -14.757 -9.169 -4.238
23 1HG GLU 3 2HG GLU 3 -13.888 -10.360 -5.986
24 2HG GLU 3 1HG GLU 3 -12.362 -9.705 -5.389
25 H CYS 4 H CYS 4 -11.956 -6.894 -1.903
26 HA CYS 4 HA CYS 4 -14.068 -5.076 -2.959
27 1HB CYS 4 2HB CYS 4 -12.970 -5.254 -0.155
28 2HB CYS 4 1HB CYS 4 -13.783 -3.808 -0.749
29 H ASP 5 H ASP 5 -12.185 -4.871 -4.570
30 HA ASP 5 HA ASP 5 -9.679 -3.857 -4.220
31 1HB ASP 5 2HB ASP 5 -11.264 -4.044 -6.366
32 2HB ASP 5 1HB ASP 5 -11.374 -2.301 -6.118
33 H CYS 6 H CYS 6 -12.659 -1.919 -3.924
34 HA CYS 6 HA CYS 6 -11.024 0.145 -2.502
35 1HB CYS 6 2HB CYS 6 -13.436 0.579 -4.293
36 2HB CYS 6 1HB CYS 6 -12.613 1.841 -3.378
37 H SER 7 H SER 7 -12.385 1.445 -0.938
38 HA SER 7 HA SER 7 -14.557 -0.260 0.215
39 1HB SER 7 2HB SER 7 -13.823 0.920 2.414
40 2HB SER 7 1HB SER 7 -12.826 -0.396 1.801
41 HG SER 7 HG SER 7 -12.344 2.343 1.901
42 H SER 8 H SER 8 -14.125 2.456 -1.494
43 HA SER 8 HA SER 8 -16.067 4.067 0.087
44 1HB SER 8 2HB SER 8 -13.768 4.732 -1.514
45 2HB SER 8 1HB SER 8 -15.194 5.547 -2.145
46 HG SER 8 HG SER 8 -15.430 5.819 0.393
47 HA PRO 9 HA PRO 9 -19.037 2.811 -2.986
48 1HB PRO 9 2HB PRO 9 -21.126 4.268 -1.955
49 2HB PRO 9 1HB PRO 9 -20.579 2.727 -1.275
50 1HG PRO 9 2HG PRO 9 -20.173 5.489 -0.230
51 2HG PRO 9 1HG PRO 9 -20.221 3.953 0.651
52 1HD PRO 9 2HD PRO 9 -17.887 5.399 -0.046
53 2HD PRO 9 1HD PRO 9 -17.943 3.724 0.542
54 H GLU 10 H GLU 10 -17.447 5.671 -2.866
55 HA GLU 10 HA GLU 10 -19.163 6.871 -5.004
56 1HB GLU 10 2HB GLU 10 -17.369 8.348 -3.057
57 2HB GLU 10 1HB GLU 10 -18.418 9.077 -4.276
58 1HG GLU 10 2HG GLU 10 -20.372 7.940 -3.143
59 2HG GLU 10 1HG GLU 10 -19.269 7.487 -1.843
60 H ASN 11 H ASN 11 -16.678 5.014 -4.942
61 HA ASN 11 HA ASN 11 -14.737 6.707 -6.355
62 1HB ASN 11 2HB ASN 11 -14.415 4.586 -4.654
63 2HB ASN 11 1HB ASN 11 -14.238 3.807 -6.227
64 1HD2 ASN 11 1HD2 ASN 11 -11.882 3.570 -5.482
65 2HD2 ASN 11 2HD2 ASN 11 -10.832 4.876 -5.753
66 HA PRO 12 HA PRO 12 -16.465 5.382 -10.232
67 1HB PRO 12 2HB PRO 12 -14.618 6.657 -11.816
68 2HB PRO 12 1HB PRO 12 -15.964 7.493 -11.021
69 1HG PRO 12 2HG PRO 12 -13.067 7.513 -10.319
70 2HG PRO 12 1HG PRO 12 -14.307 8.734 -9.994
71 1HD PRO 12 2HD PRO 12 -13.292 6.851 -8.130
72 2HD PRO 12 1HD PRO 12 -14.732 7.869 -7.915
73 H CYS 13 H CYS 13 -13.181 4.828 -9.174
74 HA CYS 13 HA CYS 13 -12.631 2.934 -11.383
75 1HB CYS 13 2HB CYS 13 -11.029 4.556 -9.707
76 2HB CYS 13 1HB CYS 13 -10.647 2.880 -9.319
77 H CYS 14 H CYS 14 -14.672 2.540 -9.080
78 HA CYS 14 HA CYS 14 -13.936 -0.270 -8.720
79 1HB CYS 14 2HB CYS 14 -13.872 1.718 -6.480
80 2HB CYS 14 1HB CYS 14 -14.440 0.082 -6.142
81 H ASP 15 H ASP 15 -15.755 -1.406 -8.988
82 HA ASP 15 HA ASP 15 -18.348 -0.145 -9.092
83 1HB ASP 15 2HB ASP 15 -17.373 -2.328 -10.253
84 2HB ASP 15 1HB ASP 15 -18.074 -3.089 -8.830
85 H ALA 16 H ALA 16 -19.439 0.455 -7.284
86 HA ALA 16 HA ALA 16 -18.836 -0.484 -4.659
87 1HB ALA 16 1HB ALA 16 -21.391 0.799 -5.669
88 2HB ALA 16 2HB ALA 16 -19.964 1.674 -5.114
89 3HB ALA 16 3HB ALA 16 -20.889 0.687 -3.983
90 H ALA 17 H ALA 17 -20.956 -1.702 -7.154
91 HA ALA 17 HA ALA 17 -22.709 -3.277 -5.557
92 1HB ALA 17 1HB ALA 17 -23.139 -2.962 -7.930
93 2HB ALA 17 2HB ALA 17 -22.945 -4.688 -7.618
94 3HB ALA 17 3HB ALA 17 -21.628 -3.770 -8.346
95 H THR 18 H THR 18 -19.361 -3.686 -6.385
96 HA THR 18 HA THR 18 -19.322 -6.182 -4.765
97 HB THR 18 HB THR 18 -18.049 -7.389 -6.362
98 HG1 THR 18 HG1 THR 18 -17.257 -6.332 -8.244
99 1HG2 THR 18 1HG2 THR 18 -20.572 -6.600 -6.951
100 2HG2 THR 18 2HG2 THR 18 -19.646 -7.711 -7.960
101 3HG2 THR 18 3HG2 THR 18 -19.721 -5.999 -8.375
102 H CYS 19 H CYS 19 -18.523 -3.281 -4.485
103 HA CYS 19 HA CYS 19 -16.642 -1.982 -3.892
104 1HB CYS 19 2HB CYS 19 -15.401 -3.086 -1.972
105 2HB CYS 19 1HB CYS 19 -17.150 -2.996 -1.783
106 H LYS 20 H LYS 20 -16.161 -3.762 -6.284
107 HA LYS 20 HA LYS 20 -13.238 -4.218 -5.902
108 1HB LYS 20 2HB LYS 20 -15.323 -5.528 -7.566
109 2HB LYS 20 1HB LYS 20 -13.728 -5.348 -8.300
110 1HG LYS 20 2HG LYS 20 -13.741 -6.303 -5.493
111 2HG LYS 20 1HG LYS 20 -14.393 -7.429 -6.684
112 1HD LYS 20 2HD LYS 20 -11.909 -6.095 -7.535
113 2HD LYS 20 1HD LYS 20 -11.719 -7.131 -6.121
114 1HE LYS 20 2HE LYS 20 -11.809 -8.963 -7.419
115 2HE LYS 20 1HE LYS 20 -13.393 -8.476 -8.022
116 1HZ LYS 20 1HZ LYS 20 -11.052 -8.555 -9.449
117 2HZ LYS 20 2HZ LYS 20 -11.316 -6.902 -9.162
118 3HZ LYS 20 3HZ LYS 20 -12.508 -7.833 -9.935
119 H LEU 21 H LEU 21 -12.305 -4.045 -8.449
120 HA LEU 21 HA LEU 21 -12.344 -1.168 -8.912
121 1HB LEU 21 2HB LEU 21 -10.856 -3.494 -9.967
122 2HB LEU 21 1HB LEU 21 -11.094 -2.165 -11.101
123 HG LEU 21 HG LEU 21 -10.111 -1.609 -8.307
124 1HD1 LEU 21 1HD1 LEU 21 -8.116 -2.558 -8.711
125 2HD1 LEU 21 2HD1 LEU 21 -7.962 -1.624 -10.199
126 3HD1 LEU 21 3HD1 LEU 21 -8.747 -3.203 -10.226
127 1HD2 LEU 21 1HD2 LEU 21 -10.062 0.481 -9.126
128 2HD2 LEU 21 2HD2 LEU 21 -10.673 -0.108 -10.672
129 3HD2 LEU 21 3HD2 LEU 21 -8.935 -0.039 -10.378
130 H ARG 22 H ARG 22 -12.536 -0.434 -11.236
131 HA ARG 22 HA ARG 22 -15.057 -1.516 -12.368
132 1HB ARG 22 2HB ARG 22 -14.093 1.113 -11.980
133 2HB ARG 22 1HB ARG 22 -14.015 0.831 -13.719
134 1HG ARG 22 2HG ARG 22 -16.419 -0.130 -13.439
135 2HG ARG 22 1HG ARG 22 -16.416 0.736 -11.902
136 1HD ARG 22 2HD ARG 22 -15.554 2.743 -13.374
137 2HD ARG 22 1HD ARG 22 -16.285 1.830 -14.695
138 HE ARG 22 HE ARG 22 -18.220 1.941 -12.656
139 1HH1 ARG 22 1HH1 ARG 22 -16.225 4.462 -13.689
140 2HH1 ARG 22 2HH1 ARG 22 -17.518 5.520 -14.146
141 1HH2 ARG 22 1HH2 ARG 22 -19.991 3.139 -13.660
142 2HH2 ARG 22 2HH2 ARG 22 -19.651 4.771 -14.129
143 HA PRO 23 HA PRO 23 -12.593 -3.573 -15.408
144 1HB PRO 23 2HB PRO 23 -14.600 -3.879 -17.292
145 2HB PRO 23 1HB PRO 23 -14.392 -4.922 -15.873
146 1HG PRO 23 2HG PRO 23 -16.323 -2.647 -16.274
147 2HG PRO 23 1HG PRO 23 -16.560 -4.179 -15.408
148 1HD PRO 23 2HD PRO 23 -16.037 -1.815 -14.091
149 2HD PRO 23 1HD PRO 23 -15.542 -3.396 -13.464
150 H GLY 24 H GLY 24 -11.316 -1.677 -15.794
151 1HA GLY 24 2HA GLY 24 -11.275 -0.756 -18.478
152 2HA GLY 24 1HA GLY 24 -12.007 0.504 -17.477
153 H ALA 25 H ALA 25 -10.672 0.500 -15.192
154 HA ALA 25 HA ALA 25 -7.980 1.360 -15.927
155 1HB ALA 25 1HB ALA 25 -9.413 2.684 -14.384
156 2HB ALA 25 2HB ALA 25 -7.890 2.205 -13.633
157 3HB ALA 25 3HB ALA 25 -9.377 1.342 -13.242
158 H GLN 26 H GLN 26 -6.633 0.776 -13.521
159 HA GLN 26 HA GLN 26 -6.716 -2.178 -13.267
160 1HB GLN 26 2HB GLN 26 -4.736 -0.742 -14.760
161 2HB GLN 26 1HB GLN 26 -3.971 -1.448 -13.336
162 1HG GLN 26 2HG GLN 26 -4.335 -3.594 -14.043
163 2HG GLN 26 1HG GLN 26 -5.881 -3.195 -14.786
164 1HE2 GLN 26 1HE2 GLN 26 -4.989 -4.515 -16.673
165 2HE2 GLN 26 2HE2 GLN 26 -3.969 -3.735 -17.784
166 H CYS 27 H CYS 27 -7.153 0.422 -11.628
167 HA CYS 27 HA CYS 27 -6.355 -0.611 -9.110
168 1HB CYS 27 2HB CYS 27 -4.491 0.816 -8.509
169 2HB CYS 27 1HB CYS 27 -4.073 -0.035 -9.997
170 H GLY 28 H GLY 28 -7.549 0.441 -7.568
171 1HA GLY 28 2HA GLY 28 -8.852 2.993 -8.407
172 2HA GLY 28 1HA GLY 28 -9.559 1.837 -7.281
173 H GLU 29 H GLU 29 -6.513 1.737 -6.292
174 HA GLU 29 HA GLU 29 -5.988 4.261 -5.085
175 1HB GLU 29 2HB GLU 29 -6.791 3.878 -2.805
176 2HB GLU 29 1HB GLU 29 -8.143 3.814 -3.934
177 1HG GLU 29 2HG GLU 29 -8.638 1.771 -3.133
178 2HG GLU 29 1HG GLU 29 -7.124 1.189 -3.826
179 H GLY 30 H GLY 30 -3.851 4.085 -4.711
180 1HA GLY 30 2HA GLY 30 -2.660 2.184 -2.975
181 2HA GLY 30 1HA GLY 30 -2.420 1.627 -4.630
182 H LEU 31 H LEU 31 -0.206 2.380 -3.068
183 HA LEU 31 HA LEU 31 0.557 5.107 -3.380
184 1HB LEU 31 2HB LEU 31 1.817 3.715 -1.870
185 2HB LEU 31 1HB LEU 31 2.232 2.646 -3.188
186 HG LEU 31 HG LEU 31 3.677 4.219 -4.187
187 1HD1 LEU 31 1HD1 LEU 31 3.658 6.593 -2.857
188 2HD1 LEU 31 2HD1 LEU 31 1.958 6.146 -2.724
189 3HD1 LEU 31 3HD1 LEU 31 2.711 6.293 -4.313
190 1HD2 LEU 31 1HD2 LEU 31 4.308 3.289 -1.819
191 2HD2 LEU 31 2HD2 LEU 31 4.070 4.957 -1.297
192 3HD2 LEU 31 3HD2 LEU 31 5.281 4.581 -2.521
193 H CYS 32 H CYS 32 1.075 2.270 -5.422
194 HA CYS 32 HA CYS 32 2.214 4.048 -7.513
195 1HB CYS 32 2HB CYS 32 2.222 1.037 -7.200
196 2HB CYS 32 1HB CYS 32 2.929 1.899 -8.568
197 H CYS 33 H CYS 33 -0.530 4.325 -7.183
198 HA CYS 33 HA CYS 33 -1.615 2.842 -9.542
199 1HB CYS 33 2HB CYS 33 -2.977 2.284 -7.662
200 2HB CYS 33 1HB CYS 33 -2.977 3.943 -7.072
201 H GLU 34 H GLU 34 -0.840 4.357 -11.073
202 HA GLU 34 HA GLU 34 -1.061 7.187 -10.838
203 1HB GLU 34 2HB GLU 34 -1.416 6.069 -13.548
204 2HB GLU 34 1HB GLU 34 -0.287 7.293 -12.984
205 1HG GLU 34 2HG GLU 34 0.752 5.193 -11.696
206 2HG GLU 34 1HG GLU 34 0.014 4.327 -13.044
207 H GLN 35 H GLN 35 -2.578 7.996 -13.103
208 HA GLN 35 HA GLN 35 -5.150 8.269 -11.971
209 1HB GLN 35 2HB GLN 35 -4.266 9.724 -13.781
210 2HB GLN 35 1HB GLN 35 -4.407 8.377 -14.912
211 1HG GLN 35 2HG GLN 35 -6.866 8.263 -14.323
212 2HG GLN 35 1HG GLN 35 -6.653 9.773 -13.437
213 1HE2 GLN 35 1HE2 GLN 35 -6.395 11.729 -14.661
214 2HE2 GLN 35 2HE2 GLN 35 -6.538 11.777 -16.352
215 H CYS 36 H CYS 36 -5.876 6.203 -11.313
216 HA CYS 36 HA CYS 36 -6.795 4.055 -11.570
217 1HB CYS 36 2HB CYS 36 -7.957 5.757 -13.751
218 2HB CYS 36 1HB CYS 36 -8.341 4.043 -13.702
219 H LYS 37 H LYS 37 -4.198 3.916 -12.335
220 HA LYS 37 HA LYS 37 -4.295 1.873 -14.433
221 1HB LYS 37 2HB LYS 37 -4.114 4.105 -15.651
222 2HB LYS 37 1HB LYS 37 -2.522 4.275 -14.912
223 1HG LYS 37 2HG LYS 37 -1.627 2.481 -16.104
224 2HG LYS 37 1HG LYS 37 -3.205 1.736 -16.361
225 1HD LYS 37 2HD LYS 37 -3.087 4.391 -17.543
226 2HD LYS 37 1HD LYS 37 -1.818 3.346 -18.182
227 1HE LYS 37 2HE LYS 37 -3.344 1.786 -19.025
228 2HE LYS 37 1HE LYS 37 -4.627 2.303 -17.931
229 1HZ LYS 37 1HZ LYS 37 -5.251 3.233 -19.931
230 2HZ LYS 37 2HZ LYS 37 -3.657 3.598 -20.394
231 3HZ LYS 37 3HZ LYS 37 -4.428 4.519 -19.193
232 H PHE 38 H PHE 38 -2.559 0.448 -14.251
233 HA PHE 38 HA PHE 38 -1.023 0.506 -11.819
234 1HB PHE 38 2HB PHE 38 -0.981 -1.170 -14.312
235 2HB PHE 38 1HB PHE 38 0.350 -1.297 -13.167
236 HD1 PHE 38 HD1 PHE 38 -2.202 -3.170 -14.028
237 HD2 PHE 38 HD2 PHE 38 -1.038 -0.887 -10.580
238 HE1 PHE 38 HE1 PHE 38 -3.567 -4.653 -12.585
239 HE2 PHE 38 HE2 PHE 38 -2.407 -2.370 -9.138
240 HZ PHE 38 HZ PHE 38 -3.670 -4.252 -10.140
241 H SER 39 H SER 39 0.891 1.533 -11.422
242 HA SER 39 HA SER 39 2.083 3.259 -13.385
243 1HB SER 39 2HB SER 39 2.491 2.606 -10.598
244 2HB SER 39 1HB SER 39 4.030 2.733 -11.436
245 HG SER 39 HG SER 39 3.234 4.754 -10.634
246 H ARG 40 H ARG 40 4.735 2.877 -13.564
247 HA ARG 40 HA ARG 40 4.914 0.239 -14.884
248 1HB ARG 40 2HB ARG 40 6.954 1.225 -15.983
249 2HB ARG 40 1HB ARG 40 5.463 2.098 -16.336
250 1HG ARG 40 2HG ARG 40 6.787 3.058 -13.906
251 2HG ARG 40 1HG ARG 40 7.790 3.232 -15.347
252 1HD ARG 40 2HD ARG 40 5.449 4.099 -16.355
253 2HD ARG 40 1HD ARG 40 5.206 4.545 -14.666
254 HE ARG 40 HE ARG 40 7.260 5.668 -16.475
255 1HH1 ARG 40 1HH2 ARG 40 6.568 4.974 -13.207
256 2HH1 ARG 40 2HH2 ARG 40 7.040 6.534 -12.620
257 1HH2 ARG 40 1HH1 ARG 40 7.589 7.850 -15.782
258 2HH2 ARG 40 2HH1 ARG 40 7.618 8.164 -14.079
259 H ALA 41 H ALA 41 6.077 -1.351 -13.910
260 HA ALA 41 HA ALA 41 7.164 -1.371 -11.395
261 1HB ALA 41 1HB ALA 41 7.051 -3.299 -13.091
262 2HB ALA 41 2HB ALA 41 8.439 -3.286 -12.004
263 3HB ALA 41 3HB ALA 41 8.618 -2.734 -13.668
264 H GLY 42 H GLY 42 9.400 -1.237 -10.586
265 1HA GLY 42 2HA GLY 42 11.599 -0.356 -10.584
266 2HA GLY 42 1HA GLY 42 11.306 0.295 -12.187
267 H LYS 43 H LYS 43 8.917 0.861 -9.718
268 HA LYS 43 HA LYS 43 9.899 3.673 -9.609
269 1HB LYS 43 2HB LYS 43 7.646 4.423 -9.356
270 2HB LYS 43 1HB LYS 43 7.617 3.242 -10.666
271 1HG LYS 43 2HG LYS 43 7.207 1.568 -8.632
272 2HG LYS 43 1HG LYS 43 6.542 3.027 -7.896
273 1HD LYS 43 2HD LYS 43 4.677 2.164 -9.000
274 2HD LYS 43 1HD LYS 43 5.305 3.296 -10.192
275 1HE LYS 43 2HE LYS 43 5.429 1.581 -11.643
276 2HE LYS 43 1HE LYS 43 6.700 0.892 -10.634
277 1HZ LYS 43 1HZ LYS 43 5.329 -0.667 -9.887
278 2HZ LYS 43 2HZ LYS 43 4.259 -0.214 -11.127
279 3HZ LYS 43 3HZ LYS 43 4.086 0.441 -9.570
280 H ILE 44 H ILE 44 10.311 4.536 -7.595
281 HA ILE 44 HA ILE 44 10.450 2.657 -5.374
282 HB ILE 44 HB ILE 44 12.197 4.323 -5.658
283 1HG1 ILE 44 2HG1 ILE 44 11.870 5.543 -3.362
284 2HG1 ILE 44 1HG1 ILE 44 10.421 4.545 -3.235
285 1HG2 ILE 44 1HG2 ILE 44 10.103 5.984 -6.401
286 2HG2 ILE 44 2HG2 ILE 44 11.776 6.484 -6.159
287 3HG2 ILE 44 3HG2 ILE 44 10.609 6.641 -4.845
288 1HD1 ILE 44 1HD1 ILE 44 12.835 3.702 -2.384
289 2HD1 ILE 44 2HD1 ILE 44 12.918 3.155 -4.059
290 3HD1 ILE 44 3HD1 ILE 44 11.612 2.598 -3.012
291 H CYS 45 H CYS 45 8.733 2.177 -4.191
292 HA CYS 45 HA CYS 45 6.571 4.199 -3.787
293 1HB CYS 45 2HB CYS 45 5.433 2.118 -2.712
294 2HB CYS 45 1HB CYS 45 5.525 2.223 -4.463
295 H ARG 46 H ARG 46 9.355 3.145 -2.327
296 HA ARG 46 HA ARG 46 8.568 4.349 0.206
297 1HB ARG 46 2HB ARG 46 8.371 1.525 -0.088
298 2HB ARG 46 1HB ARG 46 9.782 1.845 0.922
299 1HG ARG 46 2HG ARG 46 7.138 3.215 1.424
300 2HG ARG 46 1HG ARG 46 7.506 1.636 2.118
301 1HD ARG 46 2HD ARG 46 9.718 2.777 2.916
302 2HD ARG 46 1HD ARG 46 8.839 4.281 2.642
303 HE ARG 46 HE ARG 46 7.060 3.169 4.206
304 1HH1 ARG 46 1HH1 ARG 46 9.173 4.636 5.672
305 2HH1 ARG 46 2HH1 ARG 46 9.781 3.440 6.767
306 1HH2 ARG 46 1HH2 ARG 46 8.392 0.772 5.042
307 2HH2 ARG 46 2HH2 ARG 46 9.337 1.253 6.411
308 H ILE 47 H ILE 47 10.312 5.350 1.080
309 HA ILE 47 HA ILE 47 12.908 4.895 -0.245
310 HB ILE 47 HB ILE 47 12.963 7.165 -0.114
311 1HG1 ILE 47 2HG1 ILE 47 13.304 6.544 2.832
312 2HG1 ILE 47 1HG1 ILE 47 14.570 6.862 1.646
313 1HG2 ILE 47 1HG2 ILE 47 10.550 7.220 0.309
314 2HG2 ILE 47 2HG2 ILE 47 11.367 8.474 1.241
315 3HG2 ILE 47 3HG2 ILE 47 10.834 6.992 2.035
316 1HD1 ILE 47 1HD1 ILE 47 12.635 8.788 2.908
317 2HD1 ILE 47 2HD1 ILE 47 13.347 9.155 1.337
318 3HD1 ILE 47 3HD1 ILE 47 14.386 8.925 2.745
319 H ALA 48 H ALA 48 11.448 3.323 1.978
320 HA ALA 48 HA ALA 48 12.039 2.146 3.920
321 1HB ALA 48 1HB ALA 48 14.662 2.245 2.397
322 2HB ALA 48 2HB ALA 48 13.425 0.998 2.291
323 3HB ALA 48 3HB ALA 48 14.355 1.185 3.773
324 H ARG 49 H ARG 49 13.959 2.127 5.724
325 HA ARG 49 HA ARG 49 13.914 4.760 6.918
326 1HB ARG 49 2HB ARG 49 15.418 2.292 7.683
327 2HB ARG 49 1HB ARG 49 15.262 3.716 8.700
328 1HG ARG 49 2HG ARG 49 13.069 1.847 7.774
329 2HG ARG 49 1HG ARG 49 13.564 2.191 9.432
330 1HD ARG 49 2HD ARG 49 12.987 4.697 8.634
331 2HD ARG 49 1HD ARG 49 11.888 3.810 7.580
332 HE ARG 49 HE ARG 49 11.225 2.666 9.887
333 1HH1 ARG 49 1HH2 ARG 49 10.212 5.465 8.740
334 2HH1 ARG 49 2HH2 ARG 49 10.073 6.323 10.238
335 1HH2 ARG 49 1HH1 ARG 49 11.859 3.974 12.057
336 2HH2 ARG 49 2HH1 ARG 49 11.004 5.479 12.115
337 H GLY 50 H GLY 50 16.915 2.958 6.881
338 1HA GLY 50 2HA GLY 50 18.209 4.898 5.126
339 2HA GLY 50 1HA GLY 50 18.755 4.913 6.799
340 H ASP 51 H ASP 51 19.195 3.472 3.775
341 HA ASP 51 HA ASP 51 20.880 1.944 3.132
342 1HB ASP 51 2HB ASP 51 21.569 2.480 5.781
343 2HB ASP 51 1HB ASP 51 21.435 0.725 5.682
344 H TRP 52 H TRP 52 19.688 0.446 2.087
345 HA TRP 52 HA TRP 52 19.346 -2.164 2.945
346 1HB TRP 52 2HB TRP 52 16.656 -1.944 3.169
347 2HB TRP 52 1HB TRP 52 17.738 -1.946 4.552
348 HD1 TRP 52 HD1 TRP 52 16.421 -0.390 6.075
349 HE1 TRP 52 HE1 TRP 52 15.788 2.084 5.985
350 HE3 TRP 52 HE3 TRP 52 17.637 0.722 1.239
351 HZ2 TRP 52 HZ2 TRP 52 15.804 4.266 4.127
352 HZ3 TRP 52 HZ3 TRP 52 17.331 3.002 0.358
353 HH2 TRP 52 HH2 TRP 52 16.409 4.772 1.825
354 H ASN 53 H ASN 53 16.918 -2.941 1.731
355 HA ASN 53 HA ASN 53 17.522 -2.242 -1.081
356 1HB ASN 53 2HB ASN 53 16.201 -4.499 0.330
357 2HB ASN 53 1HB ASN 53 15.516 -4.069 -1.238
358 1HD2 ASN 53 1HD2 ASN 53 16.461 -5.261 -2.889
359 2HD2 ASN 53 2HD2 ASN 53 18.086 -5.748 -2.938
360 H ASP 54 H ASP 54 16.484 -0.373 -1.682
361 HA ASP 54 HA ASP 54 14.140 0.687 -0.470
362 1HB ASP 54 2HB ASP 54 13.930 1.859 -2.822
363 2HB ASP 54 1HB ASP 54 15.283 2.257 -1.767
364 H ASP 55 H ASP 55 11.969 0.832 -1.370
365 HA ASP 55 HA ASP 55 11.078 -1.744 -2.471
366 1HB ASP 55 2HB ASP 55 9.984 0.144 -0.732
367 2HB ASP 55 1HB ASP 55 9.035 0.291 -2.204
368 H ARG 56 H ARG 56 10.129 -2.004 -4.513
369 HA ARG 56 HA ARG 56 10.013 0.376 -6.302
370 1HB ARG 56 2HB ARG 56 12.205 -1.068 -6.409
371 2HB ARG 56 1HB ARG 56 11.186 -2.209 -7.283
372 1HG ARG 56 2HG ARG 56 12.176 -0.828 -8.941
373 2HG ARG 56 1HG ARG 56 10.518 -0.250 -8.779
374 1HD ARG 56 2HD ARG 56 12.145 1.621 -8.839
375 2HD ARG 56 1HD ARG 56 11.280 1.560 -7.305
376 HE ARG 56 HE ARG 56 13.342 1.135 -6.253
377 1HH1 ARG 56 1HH1 ARG 56 13.461 0.444 -9.635
378 2HH1 ARG 56 2HH1 ARG 56 15.139 0.018 -9.621
379 1HH2 ARG 56 1HH2 ARG 56 15.525 0.551 -6.218
380 2HH2 ARG 56 2HH2 ARG 56 16.307 0.077 -7.691
381 H CYS 57 H CYS 57 7.720 0.259 -6.507
382 HA CYS 57 HA CYS 57 6.143 -2.043 -6.647
383 1HB CYS 57 2HB CYS 57 5.795 0.520 -8.219
384 2HB CYS 57 1HB CYS 57 4.578 -0.742 -8.113
385 H THR 58 H THR 58 5.445 -3.380 -8.354
386 HA THR 58 HA THR 58 7.428 -3.684 -10.516
387 HB THR 58 HB THR 58 6.716 -5.887 -10.673
388 HG1 THR 58 HG1 THR 58 4.427 -6.199 -9.624
389 1HG2 THR 58 1HG2 THR 58 6.713 -6.711 -8.506
390 2HG2 THR 58 2HG2 THR 58 5.566 -5.497 -7.938
391 3HG2 THR 58 3HG2 THR 58 7.254 -5.059 -8.205
392 H GLY 59 H GLY 59 5.490 -5.015 -12.297
393 1HA GLY 59 2HA GLY 59 4.331 -2.543 -13.478
394 2HA GLY 59 1HA GLY 59 4.642 -4.043 -14.352
395 H GLN 60 H GLN 60 3.245 -4.511 -11.276
396 HA GLN 60 HA GLN 60 0.465 -4.409 -12.279
397 1HB GLN 60 2HB GLN 60 1.825 -6.967 -11.374
398 2HB GLN 60 1HB GLN 60 0.084 -6.792 -11.597
399 1HG GLN 60 2HG GLN 60 0.963 -5.827 -13.975
400 2HG GLN 60 1HG GLN 60 2.238 -6.994 -13.625
401 1HE2 GLN 60 1HE2 GLN 60 1.505 -9.282 -13.182
402 2HE2 GLN 60 2HE2 GLN 60 0.056 -9.831 -13.874
403 H SER 61 H SER 61 2.414 -3.427 -10.012
404 HA SER 61 HA SER 61 0.692 -4.249 -7.717
405 1HB SER 61 2HB SER 61 2.520 -4.016 -6.334
406 2HB SER 61 1HB SER 61 3.359 -4.402 -7.832
407 HG SER 61 HG SER 61 3.526 -2.200 -6.363
408 H ALA 62 H ALA 62 -0.909 -2.786 -7.370
409 HA ALA 62 HA ALA 62 -0.585 0.023 -8.161
410 1HB ALA 62 1HB ALA 62 -2.918 -0.033 -6.757
411 2HB ALA 62 2HB ALA 62 -2.797 -1.724 -7.243
412 3HB ALA 62 3HB ALA 62 -2.800 -0.453 -8.467
413 H ASP 63 H ASP 63 -0.026 -1.883 -5.375
414 HA ASP 63 HA ASP 63 0.244 0.596 -3.730
415 1HB ASP 63 2HB ASP 63 -0.417 -2.182 -2.782
416 2HB ASP 63 1HB ASP 63 -0.231 -0.770 -1.752
417 H CYS 64 H CYS 64 1.695 -0.549 -1.615
418 HA CYS 64 HA CYS 64 4.037 -1.799 -2.951
419 1HB CYS 64 2HB CYS 64 4.336 0.690 -2.831
420 2HB CYS 64 1HB CYS 64 4.312 0.552 -1.075
421 HA PRO 65 HA PRO 65 3.834 -4.192 0.740
422 1HB PRO 65 2HB PRO 65 5.815 -5.906 -0.037
423 2HB PRO 65 1HB PRO 65 4.160 -6.020 -0.632
424 1HG PRO 65 2HG PRO 65 6.612 -5.122 -2.033
425 2HG PRO 65 1HG PRO 65 5.085 -5.707 -2.714
426 1HD PRO 65 2HD PRO 65 5.949 -2.990 -2.507
427 2HD PRO 65 1HD PRO 65 4.359 -3.572 -3.047
428 H ARG 66 H ARG 66 4.868 -2.163 1.825
429 HA ARG 66 HA ARG 66 7.682 -1.811 1.969
430 1HB ARG 66 2HB ARG 66 7.271 -0.467 3.926
431 2HB ARG 66 1HB ARG 66 5.926 -0.202 2.816
432 1HG ARG 66 2HG ARG 66 4.473 -1.605 4.077
433 2HG ARG 66 1HG ARG 66 5.811 -2.287 5.003
434 1HD ARG 66 2HD ARG 66 5.934 0.526 5.348
435 2HD ARG 66 1HD ARG 66 4.249 0.057 5.581
436 HE ARG 66 HE ARG 66 6.108 -1.676 7.005
437 1HH1 ARG 66 1HH2 ARG 66 3.284 -0.485 7.683
438 2HH1 ARG 66 2HH2 ARG 66 3.686 0.418 9.105
439 1HH2 ARG 66 1HH1 ARG 66 7.108 0.247 8.565
440 2HH2 ARG 66 2HH1 ARG 66 5.852 0.833 9.606
441 H TYR 67 H TYR 67 9.012 -2.259 4.002
442 HA TYR 67 HA TYR 67 8.261 -4.366 5.790
443 1HB TYR 67 2HB TYR 67 9.682 -6.168 4.916
444 2HB TYR 67 1HB TYR 67 8.462 -5.724 3.722
445 HD1 TYR 67 HD1 TYR 67 9.096 -4.137 1.846
446 HD2 TYR 67 HD2 TYR 67 12.001 -5.947 4.441
447 HE1 TYR 67 HE1 TYR 67 10.882 -3.619 0.206
448 HE2 TYR 67 HE2 TYR 67 13.788 -5.429 2.801
449 HH TYR 67 HH TYR 67 13.067 -3.650 -0.201
450 H HIS 68 HN HIS 68 9.526 -1.805 5.978
451 HA HIS 68 HA HIS 68 12.287 -2.582 6.827
452 1HB HIS 68 2HB HIS 68 11.245 0.203 6.232
453 2HB HIS 68 1HB HIS 68 12.919 -0.256 6.545
454 HD1 HIS 68 HD1 HIS 68 10.246 -0.409 3.915
455 HD2 HIS 68 HD2 HIS 68 14.229 -1.551 4.369
456 HE1 HIS 68 HE1 HIS 68 11.076 -1.043 1.608
Start of MODEL 7
1 1H GLY 1 1HT GLY 1 -12.021 -14.970 -1.331
2 2H GLY 1 2HT GLY 1 -11.150 -16.402 -1.051
3 3H GLY 1 3HT GLY 1 -10.688 -15.354 -2.306
4 1HA GLY 1 1HA GLY 1 -10.587 -14.727 0.595
5 2HA GLY 1 2HA GLY 1 -9.201 -15.135 -0.416
6 H LYS 2 H LYS 2 -8.431 -13.582 -1.902
7 HA LYS 2 HA LYS 2 -9.044 -10.819 -1.234
8 1HB LYS 2 2HB LYS 2 -6.805 -11.958 -2.117
9 2HB LYS 2 1HB LYS 2 -7.487 -11.526 -3.686
10 1HG LYS 2 2HG LYS 2 -7.578 -9.208 -3.114
11 2HG LYS 2 1HG LYS 2 -7.268 -9.545 -1.411
12 1HD LYS 2 2HD LYS 2 -5.288 -10.243 -3.588
13 2HD LYS 2 1HD LYS 2 -5.272 -8.687 -2.756
14 1HE LYS 2 2HE LYS 2 -4.074 -9.644 -1.109
15 2HE LYS 2 1HE LYS 2 -5.479 -10.639 -0.729
16 1HZ LYS 2 1HZ LYS 2 -4.690 -12.148 -2.561
17 2HZ LYS 2 2HZ LYS 2 -3.730 -12.121 -1.159
18 3HZ LYS 2 3HZ LYS 2 -3.234 -11.279 -2.549
19 H GLU 3 H GLU 3 -10.611 -9.592 -2.165
20 HA GLU 3 HA GLU 3 -11.277 -9.788 -4.978
21 1HB GLU 3 2HB GLU 3 -12.647 -11.538 -3.192
22 2HB GLU 3 1HB GLU 3 -13.786 -10.308 -3.738
23 1HG GLU 3 2HG GLU 3 -12.033 -11.409 -5.846
24 2HG GLU 3 1HG GLU 3 -13.187 -12.553 -5.163
25 H CYS 4 H CYS 4 -10.489 -7.662 -3.313
26 HA CYS 4 HA CYS 4 -12.831 -5.894 -3.606
27 1HB CYS 4 2HB CYS 4 -12.742 -6.798 -1.241
28 2HB CYS 4 1HB CYS 4 -11.265 -5.889 -1.071
29 H ASP 5 H ASP 5 -11.231 -5.510 -5.434
30 HA ASP 5 HA ASP 5 -8.706 -4.437 -5.284
31 1HB ASP 5 2HB ASP 5 -10.445 -4.686 -7.284
32 2HB ASP 5 1HB ASP 5 -10.642 -2.955 -6.997
33 H CYS 6 H CYS 6 -11.673 -2.862 -4.244
34 HA CYS 6 HA CYS 6 -10.005 -0.615 -3.196
35 1HB CYS 6 2HB CYS 6 -11.884 -0.465 -5.343
36 2HB CYS 6 1HB CYS 6 -12.530 0.411 -3.960
37 H SER 7 H SER 7 -11.098 0.587 -1.456
38 HA SER 7 HA SER 7 -13.393 -0.887 -0.246
39 1HB SER 7 2HB SER 7 -12.274 -0.311 2.007
40 2HB SER 7 1HB SER 7 -11.577 -1.633 1.076
41 HG SER 7 HG SER 7 -10.592 0.854 0.433
42 H SER 8 H SER 8 -13.272 1.615 -1.829
43 HA SER 8 HA SER 8 -14.393 3.432 0.253
44 1HB SER 8 2HB SER 8 -12.068 3.882 -1.346
45 2HB SER 8 1HB SER 8 -13.316 5.023 -1.834
46 HG SER 8 HG SER 8 -11.784 5.222 0.237
47 HA PRO 9 HA PRO 9 -17.701 3.331 -2.745
48 1HB PRO 9 2HB PRO 9 -19.461 4.798 -1.233
49 2HB PRO 9 1HB PRO 9 -19.134 3.079 -0.957
50 1HG PRO 9 2HG PRO 9 -18.238 5.436 0.630
51 2HG PRO 9 1HG PRO 9 -18.466 3.756 1.146
52 1HD PRO 9 2HD PRO 9 -15.983 5.006 0.550
53 2HD PRO 9 1HD PRO 9 -16.256 3.268 0.798
54 H GLU 10 H GLU 10 -15.671 5.840 -2.123
55 HA GLU 10 HA GLU 10 -17.343 7.818 -3.624
56 1HB GLU 10 2HB GLU 10 -15.507 8.055 -1.363
57 2HB GLU 10 1HB GLU 10 -15.095 9.162 -2.672
58 1HG GLU 10 2HG GLU 10 -17.226 10.195 -2.624
59 2HG GLU 10 1HG GLU 10 -17.931 8.883 -1.678
60 H ASN 11 H ASN 11 -14.601 5.789 -3.770
61 HA ASN 11 HA ASN 11 -12.979 7.240 -5.624
62 1HB ASN 11 2HB ASN 11 -12.911 4.761 -4.278
63 2HB ASN 11 1HB ASN 11 -12.825 4.388 -5.995
64 1HD2 ASN 11 1HD2 ASN 11 -10.554 3.881 -4.474
65 2HD2 ASN 11 2HD2 ASN 11 -9.346 5.011 -4.838
66 HA PRO 12 HA PRO 12 -15.377 6.607 -9.306
67 1HB PRO 12 2HB PRO 12 -13.431 7.362 -11.092
68 2HB PRO 12 1HB PRO 12 -14.349 8.516 -10.109
69 1HG PRO 12 2HG PRO 12 -11.525 7.619 -9.799
70 2HG PRO 12 1HG PRO 12 -12.283 9.134 -9.282
71 1HD PRO 12 2HD PRO 12 -11.676 6.912 -7.623
72 2HD PRO 12 1HD PRO 12 -12.683 8.309 -7.182
73 H CYS 13 H CYS 13 -12.035 5.388 -9.192
74 HA CYS 13 HA CYS 13 -12.599 3.278 -11.181
75 1HB CYS 13 2HB CYS 13 -10.272 4.598 -10.118
76 2HB CYS 13 1HB CYS 13 -10.107 2.857 -9.900
77 H CYS 14 H CYS 14 -14.025 3.299 -8.545
78 HA CYS 14 HA CYS 14 -13.190 0.563 -7.739
79 1HB CYS 14 2HB CYS 14 -13.740 2.825 -5.809
80 2HB CYS 14 1HB CYS 14 -13.315 1.175 -5.386
81 H ASP 15 H ASP 15 -14.854 -0.533 -6.423
82 HA ASP 15 HA ASP 15 -17.603 0.551 -6.786
83 1HB ASP 15 2HB ASP 15 -16.689 -1.336 -8.470
84 2HB ASP 15 1HB ASP 15 -17.214 -2.359 -7.138
85 H ALA 16 H ALA 16 -18.622 0.516 -4.841
86 HA ALA 16 HA ALA 16 -17.462 -1.056 -2.653
87 1HB ALA 16 1HB ALA 16 -18.380 1.435 -2.623
88 2HB ALA 16 2HB ALA 16 -18.542 0.394 -1.210
89 3HB ALA 16 3HB ALA 16 -19.910 0.621 -2.299
90 H ALA 17 H ALA 17 -19.787 -1.594 -4.998
91 HA ALA 17 HA ALA 17 -21.489 -3.243 -3.193
92 1HB ALA 17 1HB ALA 17 -22.301 -1.589 -5.132
93 2HB ALA 17 2HB ALA 17 -23.171 -3.080 -4.767
94 3HB ALA 17 3HB ALA 17 -22.043 -3.026 -6.122
95 H THR 18 H THR 18 -18.836 -3.525 -5.281
96 HA THR 18 HA THR 18 -19.231 -6.476 -5.376
97 HB THR 18 HB THR 18 -19.051 -4.627 -7.598
98 HG1 THR 18 HG1 THR 18 -20.305 -6.716 -7.022
99 1HG2 THR 18 1HG2 THR 18 -17.425 -5.843 -8.970
100 2HG2 THR 18 2HG2 THR 18 -17.050 -6.904 -7.612
101 3HG2 THR 18 3HG2 THR 18 -16.635 -5.192 -7.533
102 H CYS 19 H CYS 19 -17.450 -4.055 -4.130
103 HA CYS 19 HA CYS 19 -15.216 -3.825 -3.441
104 1HB CYS 19 2HB CYS 19 -16.164 -6.476 -2.791
105 2HB CYS 19 1HB CYS 19 -14.434 -6.481 -3.039
106 H LYS 20 H LYS 20 -14.632 -3.177 -5.691
107 HA LYS 20 HA LYS 20 -12.282 -4.482 -6.576
108 1HB LYS 20 2HB LYS 20 -14.787 -5.564 -7.709
109 2HB LYS 20 1HB LYS 20 -13.545 -5.155 -8.891
110 1HG LYS 20 2HG LYS 20 -12.271 -6.459 -6.687
111 2HG LYS 20 1HG LYS 20 -13.648 -7.442 -7.190
112 1HD LYS 20 2HD LYS 20 -12.743 -7.904 -9.240
113 2HD LYS 20 1HD LYS 20 -11.976 -6.320 -9.375
114 1HE LYS 20 2HE LYS 20 -10.054 -7.023 -8.370
115 2HE LYS 20 1HE LYS 20 -10.913 -8.049 -7.222
116 1HZ LYS 20 1HZ LYS 20 -9.818 -8.698 -9.810
117 2HZ LYS 20 2HZ LYS 20 -11.391 -9.287 -9.558
118 3HZ LYS 20 3HZ LYS 20 -10.142 -9.705 -8.485
119 H LEU 21 H LEU 21 -12.259 -3.892 -9.297
120 HA LEU 21 HA LEU 21 -12.244 -0.968 -9.203
121 1HB LEU 21 2HB LEU 21 -11.351 -3.071 -11.136
122 2HB LEU 21 1HB LEU 21 -11.636 -1.442 -11.753
123 HG LEU 21 HG LEU 21 -9.974 -1.909 -9.286
124 1HD1 LEU 21 1HD1 LEU 21 -8.889 -1.665 -12.101
125 2HD1 LEU 21 2HD1 LEU 21 -9.097 -3.217 -11.291
126 3HD1 LEU 21 3HD1 LEU 21 -7.988 -2.018 -10.628
127 1HD2 LEU 21 1HD2 LEU 21 -10.888 0.344 -10.779
128 2HD2 LEU 21 2HD2 LEU 21 -9.133 0.252 -10.933
129 3HD2 LEU 21 3HD2 LEU 21 -9.877 0.327 -9.334
130 H ARG 22 H ARG 22 -13.811 0.369 -10.056
131 HA ARG 22 HA ARG 22 -16.337 -0.806 -10.863
132 1HB ARG 22 2HB ARG 22 -15.494 1.718 -9.985
133 2HB ARG 22 1HB ARG 22 -16.042 1.981 -11.641
134 1HG ARG 22 2HG ARG 22 -18.141 0.699 -11.054
135 2HG ARG 22 1HG ARG 22 -17.612 0.738 -9.371
136 1HD ARG 22 2HD ARG 22 -18.028 2.981 -9.151
137 2HD ARG 22 1HD ARG 22 -17.579 3.333 -10.819
138 HE ARG 22 HE ARG 22 -20.076 1.829 -10.563
139 1HH1 ARG 22 1HH2 ARG 22 -19.731 4.697 -9.168
140 2HH1 ARG 22 2HH2 ARG 22 -20.605 5.645 -10.324
141 1HH2 ARG 22 1HH1 ARG 22 -20.691 3.135 -12.714
142 2HH2 ARG 22 2HH1 ARG 22 -21.148 4.761 -12.332
143 HA PRO 23 HA PRO 23 -15.083 0.697 -15.215
144 1HB PRO 23 2HB PRO 23 -12.602 1.818 -15.527
145 2HB PRO 23 1HB PRO 23 -14.040 2.757 -15.087
146 1HG PRO 23 2HG PRO 23 -11.758 1.902 -13.375
147 2HG PRO 23 1HG PRO 23 -12.812 3.315 -13.207
148 1HD PRO 23 2HD PRO 23 -12.995 0.921 -11.713
149 2HD PRO 23 1HD PRO 23 -14.232 2.191 -11.810
150 H GLY 24 H GLY 24 -12.702 0.365 -16.680
151 1HA GLY 24 2HA GLY 24 -12.017 -2.462 -16.018
152 2HA GLY 24 1HA GLY 24 -11.922 -1.756 -17.632
153 H ALA 25 H ALA 25 -10.823 0.223 -15.032
154 HA ALA 25 HA ALA 25 -8.215 0.551 -16.098
155 1HB ALA 25 1HB ALA 25 -9.414 2.063 -14.429
156 2HB ALA 25 2HB ALA 25 -7.706 1.769 -14.100
157 3HB ALA 25 3HB ALA 25 -8.942 0.907 -13.184
158 H GLN 26 H GLN 26 -6.339 0.149 -14.161
159 HA GLN 26 HA GLN 26 -6.371 -2.819 -13.855
160 1HB GLN 26 2HB GLN 26 -4.375 -0.956 -14.820
161 2HB GLN 26 1HB GLN 26 -3.744 -1.941 -13.500
162 1HG GLN 26 2HG GLN 26 -3.381 -3.489 -15.128
163 2HG GLN 26 1HG GLN 26 -5.107 -3.809 -14.961
164 1HE2 GLN 26 1HE2 GLN 26 -2.838 -1.691 -16.792
165 2HE2 GLN 26 2HE2 GLN 26 -3.814 -1.596 -18.177
166 H CYS 27 H CYS 27 -6.831 -0.084 -12.074
167 HA CYS 27 HA CYS 27 -6.626 -1.392 -9.559
168 1HB CYS 27 2HB CYS 27 -4.631 -0.296 -8.631
169 2HB CYS 27 1HB CYS 27 -4.203 -1.304 -10.013
170 H GLY 28 H GLY 28 -7.779 -0.210 -8.088
171 1HA GLY 28 2HA GLY 28 -8.506 2.570 -8.882
172 2HA GLY 28 1HA GLY 28 -9.459 1.542 -7.812
173 H GLU 29 H GLU 29 -6.330 1.029 -6.922
174 HA GLU 29 HA GLU 29 -5.579 3.369 -5.503
175 1HB GLU 29 2HB GLU 29 -6.389 2.972 -3.282
176 2HB GLU 29 1HB GLU 29 -7.787 2.841 -4.350
177 1HG GLU 29 2HG GLU 29 -8.086 0.892 -3.173
178 2HG GLU 29 1HG GLU 29 -6.992 0.278 -4.412
179 H GLY 30 H GLY 30 -3.449 3.013 -5.111
180 1HA GLY 30 1HA GLY 30 -2.480 0.617 -3.807
181 2HA GLY 30 2HA GLY 30 -2.085 0.613 -5.523
182 H LEU 31 H LEU 31 -0.083 0.741 -3.513
183 HA LEU 31 HA LEU 31 0.795 3.388 -2.915
184 1HB LEU 31 2HB LEU 31 1.798 0.754 -2.585
185 2HB LEU 31 1HB LEU 31 3.056 1.713 -3.346
186 HG LEU 31 HG LEU 31 3.182 1.851 -0.878
187 1HD1 LEU 31 1HD1 LEU 31 2.207 4.475 -2.031
188 2HD1 LEU 31 2HD1 LEU 31 3.787 3.789 -2.412
189 3HD1 LEU 31 3HD1 LEU 31 3.397 4.236 -0.752
190 1HD2 LEU 31 1HD2 LEU 31 0.947 3.563 -0.391
191 2HD2 LEU 31 2HD2 LEU 31 1.277 1.982 0.318
192 3HD2 LEU 31 3HD2 LEU 31 0.345 2.102 -1.175
193 H CYS 32 H CYS 32 0.673 1.670 -5.850
194 HA CYS 32 HA CYS 32 2.203 3.835 -7.186
195 1HB CYS 32 2HB CYS 32 2.551 0.880 -7.782
196 2HB CYS 32 1HB CYS 32 3.364 2.211 -8.608
197 H CYS 33 H CYS 33 -0.709 2.929 -6.868
198 HA CYS 33 HA CYS 33 -1.433 2.056 -9.565
199 1HB CYS 33 2HB CYS 33 -2.864 1.338 -7.754
200 2HB CYS 33 1HB CYS 33 -3.113 2.999 -7.223
201 H GLU 34 H GLU 34 -0.875 3.603 -11.074
202 HA GLU 34 HA GLU 34 -1.089 6.425 -10.722
203 1HB GLU 34 2HB GLU 34 -0.080 4.792 -12.664
204 2HB GLU 34 1HB GLU 34 -1.531 5.412 -13.442
205 1HG GLU 34 2HG GLU 34 -0.788 7.602 -13.421
206 2HG GLU 34 1HG GLU 34 0.214 7.352 -11.990
207 H GLN 35 H GLN 35 -2.635 7.493 -12.690
208 HA GLN 35 HA GLN 35 -5.250 7.462 -11.589
209 1HB GLN 35 2HB GLN 35 -3.995 8.539 -14.067
210 2HB GLN 35 1HB GLN 35 -5.752 8.377 -14.069
211 1HG GLN 35 2HG GLN 35 -4.825 9.496 -11.559
212 2HG GLN 35 1HG GLN 35 -4.266 10.464 -12.923
213 1HE2 GLN 35 1HE2 GLN 35 -6.306 10.382 -14.742
214 2HE2 GLN 35 2HE2 GLN 35 -7.756 10.953 -14.068
215 H CYS 36 H CYS 36 -5.893 5.236 -11.450
216 HA CYS 36 HA CYS 36 -6.949 3.292 -12.223
217 1HB CYS 36 2HB CYS 36 -7.564 5.203 -14.491
218 2HB CYS 36 1HB CYS 36 -8.268 3.591 -14.356
219 H LYS 37 H LYS 37 -4.161 3.393 -12.674
220 HA LYS 37 HA LYS 37 -3.949 1.473 -14.867
221 1HB LYS 37 2HB LYS 37 -3.801 3.775 -15.961
222 2HB LYS 37 1HB LYS 37 -2.293 4.001 -15.074
223 1HG LYS 37 2HG LYS 37 -1.177 2.358 -16.278
224 2HG LYS 37 1HG LYS 37 -2.662 1.491 -16.671
225 1HD LYS 37 2HD LYS 37 -2.715 4.182 -17.761
226 2HD LYS 37 1HD LYS 37 -1.298 3.298 -18.328
227 1HE LYS 37 2HE LYS 37 -2.541 1.864 -19.572
228 2HE LYS 37 1HE LYS 37 -3.774 1.706 -18.320
229 1HZ LYS 37 1HZ LYS 37 -3.535 3.725 -20.445
230 2HZ LYS 37 2HZ LYS 37 -4.347 4.116 -19.006
231 3HZ LYS 37 3HZ LYS 37 -4.892 2.825 -19.967
232 H PHE 38 H PHE 38 -2.249 0.075 -14.458
233 HA PHE 38 HA PHE 38 -0.940 0.152 -11.923
234 1HB PHE 38 2HB PHE 38 -0.555 -1.431 -14.446
235 2HB PHE 38 1HB PHE 38 0.657 -1.538 -13.171
236 HD1 PHE 38 HD1 PHE 38 -1.022 -1.265 -10.737
237 HD2 PHE 38 HD2 PHE 38 -1.692 -3.491 -14.348
238 HE1 PHE 38 HE1 PHE 38 -2.473 -2.845 -9.493
239 HE2 PHE 38 HE2 PHE 38 -3.144 -5.072 -13.104
240 HZ PHE 38 HZ PHE 38 -3.533 -4.749 -10.677
241 H SER 39 H SER 39 0.733 1.438 -11.294
242 HA SER 39 HA SER 39 2.034 3.324 -12.903
243 1HB SER 39 2HB SER 39 2.450 3.701 -10.666
244 2HB SER 39 1HB SER 39 2.703 1.996 -10.335
245 HG SER 39 HG SER 39 4.527 3.822 -10.749
246 H ARG 40 H ARG 40 4.393 3.308 -13.554
247 HA ARG 40 HA ARG 40 4.951 0.846 -15.019
248 1HB ARG 40 2HB ARG 40 5.733 3.630 -15.198
249 2HB ARG 40 1HB ARG 40 7.120 2.556 -15.365
250 1HG ARG 40 2HG ARG 40 4.534 2.280 -16.925
251 2HG ARG 40 1HG ARG 40 6.000 3.034 -17.551
252 1HD ARG 40 2HD ARG 40 7.232 0.969 -17.358
253 2HD ARG 40 1HD ARG 40 5.902 0.196 -16.495
254 HE ARG 40 HE ARG 40 6.049 0.642 -19.395
255 1HH1 ARG 40 1HH2 ARG 40 3.377 1.642 -18.738
256 2HH1 ARG 40 2HH2 ARG 40 2.408 0.206 -18.695
257 1HH2 ARG 40 1HH1 ARG 40 5.121 -1.936 -18.433
258 2HH2 ARG 40 2HH1 ARG 40 3.395 -1.818 -18.521
259 H ALA 41 H ALA 41 6.454 -0.652 -14.424
260 HA ALA 41 HA ALA 41 7.370 -1.125 -11.911
261 1HB ALA 41 1HB ALA 41 9.403 -1.543 -14.056
262 2HB ALA 41 2HB ALA 41 7.844 -2.350 -14.230
263 3HB ALA 41 3HB ALA 41 8.843 -2.658 -12.809
264 H GLY 42 H GLY 42 9.354 -0.702 -10.737
265 1HA GLY 42 2HA GLY 42 11.301 0.563 -10.212
266 2HA GLY 42 1HA GLY 42 11.041 1.498 -11.679
267 H LYS 43 H LYS 43 8.278 1.005 -9.664
268 HA LYS 43 HA LYS 43 8.096 3.881 -9.180
269 1HB LYS 43 2HB LYS 43 6.122 2.295 -9.618
270 2HB LYS 43 1HB LYS 43 6.339 1.775 -7.948
271 1HG LYS 43 2HG LYS 43 5.894 4.648 -8.791
272 2HG LYS 43 1HG LYS 43 4.643 3.579 -8.167
273 1HD LYS 43 2HD LYS 43 6.337 3.268 -6.169
274 2HD LYS 43 1HD LYS 43 6.960 4.818 -6.737
275 1HE LYS 43 2HE LYS 43 4.016 4.372 -6.234
276 2HE LYS 43 1HE LYS 43 5.109 4.917 -4.962
277 1HZ LYS 43 1HZ LYS 43 5.628 6.464 -7.209
278 2HZ LYS 43 2HZ LYS 43 4.906 6.958 -5.754
279 3HZ LYS 43 3HZ LYS 43 3.941 6.415 -7.043
280 H ILE 44 H ILE 44 9.037 4.856 -7.425
281 HA ILE 44 HA ILE 44 10.019 3.200 -5.232
282 HB ILE 44 HB ILE 44 11.322 5.146 -5.735
283 1HG1 ILE 44 2HG1 ILE 44 11.028 6.540 -3.618
284 2HG1 ILE 44 1HG1 ILE 44 9.626 5.531 -3.253
285 1HG2 ILE 44 1HG2 ILE 44 8.629 6.409 -5.867
286 2HG2 ILE 44 2HG2 ILE 44 10.024 6.619 -6.925
287 3HG2 ILE 44 3HG2 ILE 44 9.978 7.424 -5.356
288 1HD1 ILE 44 1HD1 ILE 44 10.909 3.638 -2.886
289 2HD1 ILE 44 2HD1 ILE 44 12.044 4.880 -2.355
290 3HD1 ILE 44 3HD1 ILE 44 12.196 4.175 -3.965
291 H CYS 45 H CYS 45 8.145 2.226 -4.429
292 HA CYS 45 HA CYS 45 5.781 3.749 -3.637
293 1HB CYS 45 2HB CYS 45 5.138 1.550 -2.579
294 2HB CYS 45 1HB CYS 45 5.507 1.441 -4.299
295 H ARG 46 H ARG 46 8.776 3.765 -2.366
296 HA ARG 46 HA ARG 46 7.986 4.872 0.138
297 1HB ARG 46 2HB ARG 46 7.313 2.502 0.584
298 2HB ARG 46 1HB ARG 46 8.995 2.022 0.361
299 1HG ARG 46 2HG ARG 46 9.556 3.768 2.164
300 2HG ARG 46 1HG ARG 46 7.828 3.783 2.519
301 1HD ARG 46 2HD ARG 46 8.010 1.869 3.687
302 2HD ARG 46 1HD ARG 46 8.741 1.058 2.303
303 HE ARG 46 HE ARG 46 10.448 2.759 4.054
304 1HH1 ARG 46 1HH1 ARG 46 11.576 1.063 1.841
305 2HH1 ARG 46 2HH1 ARG 46 12.123 -0.335 2.706
306 1HH2 ARG 46 1HH2 ARG 46 10.279 0.376 5.554
307 2HH2 ARG 46 2HH2 ARG 46 11.389 -0.723 4.807
308 H ILE 47 H ILE 47 9.700 6.010 0.910
309 HA ILE 47 HA ILE 47 12.316 5.631 -0.399
310 HB ILE 47 HB ILE 47 11.540 7.915 -0.184
311 1HG1 ILE 47 2HG1 ILE 47 13.355 8.846 1.358
312 2HG1 ILE 47 1HG1 ILE 47 13.753 7.172 1.743
313 1HG2 ILE 47 1HG2 ILE 47 10.507 6.958 2.290
314 2HG2 ILE 47 2HG2 ILE 47 10.267 8.545 1.560
315 3HG2 ILE 47 3HG2 ILE 47 11.617 8.275 2.662
316 1HD1 ILE 47 1HD1 ILE 47 15.164 7.419 -0.048
317 2HD1 ILE 47 2HD1 ILE 47 14.181 8.687 -0.779
318 3HD1 ILE 47 3HD1 ILE 47 13.708 6.996 -0.946
319 H ALA 48 H ALA 48 13.845 4.348 0.536
320 HA ALA 48 HA ALA 48 13.598 2.935 2.921
321 1HB ALA 48 1HB ALA 48 15.681 2.186 2.438
322 2HB ALA 48 2HB ALA 48 16.362 3.812 2.491
323 3HB ALA 48 3HB ALA 48 15.596 3.224 1.014
324 H ARG 49 H ARG 49 15.097 3.303 4.932
325 HA ARG 49 HA ARG 49 14.586 6.072 5.857
326 1HB ARG 49 2HB ARG 49 15.490 3.920 7.683
327 2HB ARG 49 1HB ARG 49 14.384 5.250 8.002
328 1HG ARG 49 2HG ARG 49 13.772 2.848 6.252
329 2HG ARG 49 1HG ARG 49 13.184 3.084 7.899
330 1HD ARG 49 2HD ARG 49 12.546 5.467 6.582
331 2HD ARG 49 1HD ARG 49 12.173 4.203 5.410
332 HE ARG 49 HE ARG 49 10.965 3.186 7.592
333 1HH1 ARG 49 1HH2 ARG 49 9.691 5.080 5.428
334 2HH1 ARG 49 2HH2 ARG 49 8.777 6.123 6.468
335 1HH2 ARG 49 1HH1 ARG 49 10.396 5.103 9.358
336 2HH2 ARG 49 2HH1 ARG 49 9.176 6.136 8.690
337 H GLY 50 H GLY 50 17.086 3.619 6.233
338 1HA GLY 50 2HA GLY 50 19.062 5.704 6.827
339 2HA GLY 50 1HA GLY 50 19.338 3.970 6.949
340 H ASP 51 H ASP 51 20.661 3.178 5.398
341 HA ASP 51 HA ASP 51 20.667 4.508 2.746
342 1HB ASP 51 2HB ASP 51 22.801 4.309 4.614
343 2HB ASP 51 1HB ASP 51 23.189 3.279 3.237
344 H TRP 52 H TRP 52 19.875 3.066 1.285
345 HA TRP 52 HA TRP 52 21.081 0.544 0.793
346 1HB TRP 52 2HB TRP 52 18.657 -0.592 1.483
347 2HB TRP 52 1HB TRP 52 20.148 -0.736 2.408
348 HD1 TRP 52 HD1 TRP 52 17.684 2.242 2.111
349 HE1 TRP 52 HE1 TRP 52 16.988 2.935 4.495
350 HE3 TRP 52 HE3 TRP 52 20.162 -1.296 4.807
351 HZ2 TRP 52 HZ2 TRP 52 17.432 2.089 7.200
352 HZ3 TRP 52 HZ3 TRP 52 20.015 -1.339 7.281
353 HH2 TRP 52 HH2 TRP 52 18.653 0.350 8.479
354 H ASN 53 H ASN 53 19.025 -0.892 -0.346
355 HA ASN 53 HA ASN 53 18.498 0.643 -2.730
356 1HB ASN 53 2HB ASN 53 18.464 -2.060 -2.014
357 2HB ASN 53 1HB ASN 53 16.787 -1.690 -2.418
358 1HD2 ASN 53 1HD2 ASN 53 16.615 -2.534 -4.534
359 2HD2 ASN 53 2HD2 ASN 53 17.623 -2.077 -5.820
360 H ASP 54 H ASP 54 16.095 0.592 -3.598
361 HA ASP 54 HA ASP 54 14.328 1.622 -1.416
362 1HB ASP 54 2HB ASP 54 15.131 2.774 -3.975
363 2HB ASP 54 1HB ASP 54 13.386 2.759 -3.748
364 H ASP 55 H ASP 55 11.970 1.354 -1.890
365 HA ASP 55 HA ASP 55 11.472 -1.304 -3.018
366 1HB ASP 55 2HB ASP 55 9.498 0.675 -1.915
367 2HB ASP 55 1HB ASP 55 9.228 -1.044 -2.162
368 H ARG 56 H ARG 56 10.906 -1.628 -5.115
369 HA ARG 56 HA ARG 56 9.796 0.698 -6.631
370 1HB ARG 56 2HB ARG 56 11.253 -1.657 -7.781
371 2HB ARG 56 1HB ARG 56 10.860 -0.147 -8.586
372 1HG ARG 56 2HG ARG 56 12.447 0.071 -6.086
373 2HG ARG 56 1HG ARG 56 13.279 -0.624 -7.477
374 1HD ARG 56 2HD ARG 56 12.270 1.403 -8.780
375 2HD ARG 56 1HD ARG 56 12.067 2.115 -7.179
376 HE ARG 56 HE ARG 56 14.738 1.144 -7.397
377 1HH1 ARG 56 1HH1 ARG 56 13.677 2.650 -10.020
378 2HH1 ARG 56 2HH1 ARG 56 14.465 4.172 -9.773
379 1HH2 ARG 56 1HH2 ARG 56 15.310 3.498 -6.478
380 2HH2 ARG 56 2HH2 ARG 56 15.390 4.652 -7.767
381 H CYS 57 H CYS 57 7.749 0.370 -7.576
382 HA CYS 57 HA CYS 57 6.414 -2.177 -7.065
383 1HB CYS 57 2HB CYS 57 5.507 0.330 -8.504
384 2HB CYS 57 1HB CYS 57 4.515 -1.117 -8.367
385 H THR 58 H THR 58 5.563 -3.543 -8.784
386 HA THR 58 HA THR 58 7.449 -3.797 -11.001
387 HB THR 58 HB THR 58 6.431 -5.871 -11.428
388 HG1 THR 58 HG1 THR 58 4.352 -6.005 -11.499
389 1HG2 THR 58 1HG2 THR 58 7.342 -5.553 -9.035
390 2HG2 THR 58 2HG2 THR 58 6.306 -6.950 -9.329
391 3HG2 THR 58 3HG2 THR 58 5.650 -5.517 -8.538
392 H GLY 59 H GLY 59 6.025 -4.505 -13.172
393 1HA GLY 59 2HA GLY 59 4.733 -1.952 -13.919
394 2HA GLY 59 1HA GLY 59 5.247 -3.215 -15.038
395 H GLN 60 H GLN 60 3.495 -4.237 -12.235
396 HA GLN 60 HA GLN 60 0.865 -4.073 -13.518
397 1HB GLN 60 2HB GLN 60 1.153 -6.848 -12.910
398 2HB GLN 60 1HB GLN 60 0.816 -6.108 -14.472
399 1HG GLN 60 2HG GLN 60 3.093 -6.046 -15.072
400 2HG GLN 60 1HG GLN 60 3.632 -6.224 -13.400
401 1HE2 GLN 60 1HE2 GLN 60 4.874 -8.066 -14.777
402 2HE2 GLN 60 2HE2 GLN 60 4.116 -9.584 -14.757
403 H SER 61 H SER 61 2.421 -3.559 -10.874
404 HA SER 61 HA SER 61 0.398 -4.891 -9.124
405 1HB SER 61 2HB SER 61 3.295 -4.324 -8.653
406 2HB SER 61 1HB SER 61 2.192 -4.555 -7.307
407 HG SER 61 HG SER 61 3.151 -6.520 -7.951
408 H ALA 62 H ALA 62 -0.237 -3.613 -7.212
409 HA ALA 62 HA ALA 62 0.072 -0.672 -7.688
410 1HB ALA 62 1HB ALA 62 -2.285 -2.138 -7.734
411 2HB ALA 62 2HB ALA 62 -2.167 -0.395 -7.495
412 3HB ALA 62 3HB ALA 62 -2.257 -1.471 -6.100
413 H ASP 63 H ASP 63 -0.251 -3.242 -5.255
414 HA ASP 63 HA ASP 63 0.210 -1.415 -3.039
415 1HB ASP 63 2HB ASP 63 0.712 -4.346 -2.866
416 2HB ASP 63 1HB ASP 63 0.054 -3.263 -1.648
417 H CYS 64 H CYS 64 2.145 -2.243 -1.487
418 HA CYS 64 HA CYS 64 4.583 -2.666 -3.126
419 1HB CYS 64 2HB CYS 64 4.512 -0.281 -2.980
420 2HB CYS 64 1HB CYS 64 4.064 -0.330 -1.277
421 HA PRO 65 HA PRO 65 5.288 -5.300 0.328
422 1HB PRO 65 2HB PRO 65 7.587 -6.364 -0.707
423 2HB PRO 65 1HB PRO 65 5.977 -6.878 -1.207
424 1HG PRO 65 2HG PRO 65 7.977 -5.230 -2.660
425 2HG PRO 65 1HG PRO 65 6.642 -6.200 -3.305
426 1HD PRO 65 2HD PRO 65 6.674 -3.379 -2.980
427 2HD PRO 65 1HD PRO 65 5.266 -4.383 -3.386
428 H ARG 66 H ARG 66 7.969 -5.931 1.055
429 HA ARG 66 HA ARG 66 9.462 -3.461 1.420
430 1HB ARG 66 2HB ARG 66 9.365 -3.543 3.906
431 2HB ARG 66 1HB ARG 66 7.792 -3.192 3.187
432 1HG ARG 66 2HG ARG 66 7.085 -4.883 4.548
433 2HG ARG 66 1HG ARG 66 7.702 -5.908 3.253
434 1HD ARG 66 2HD ARG 66 9.986 -5.684 4.513
435 2HD ARG 66 1HD ARG 66 8.979 -5.224 5.887
436 HE ARG 66 HE ARG 66 9.406 -7.860 5.246
437 1HH1 ARG 66 1HH1 ARG 66 6.898 -5.892 6.293
438 2HH1 ARG 66 2HH1 ARG 66 5.646 -7.071 6.077
439 1HH2 ARG 66 1HH2 ARG 66 7.706 -9.346 4.461
440 2HH2 ARG 66 2HH2 ARG 66 6.104 -9.028 5.041
441 H TYR 67 H TYR 67 11.612 -3.893 2.106
442 HA TYR 67 HA TYR 67 12.443 -6.423 3.158
443 1HB TYR 67 2HB TYR 67 11.876 -7.218 0.918
444 2HB TYR 67 1HB TYR 67 12.900 -5.971 0.223
445 HD1 TYR 67 HD1 TYR 67 13.240 -8.495 2.978
446 HD2 TYR 67 HD2 TYR 67 14.944 -6.756 -0.560
447 HE1 TYR 67 HE1 TYR 67 15.208 -9.989 3.192
448 HE2 TYR 67 HE2 TYR 67 16.912 -8.249 -0.348
449 HH TYR 67 HH TYR 67 17.317 -10.606 0.775
450 H HIS 68 HN HIS 68 13.425 -4.636 4.454
451 HA HIS 68 HA HIS 68 15.665 -3.226 3.124
452 1HB HIS 68 2HB HIS 68 15.865 -2.008 5.260
453 2HB HIS 68 1HB HIS 68 14.209 -1.945 4.657
454 HD1 HIS 68 HD1 HIS 68 16.241 -3.083 7.514
455 HD2 HIS 68 HD2 HIS 68 12.407 -3.803 6.044
456 HE1 HIS 68 HE1 HIS 68 14.954 -4.202 9.386
Start of MODEL 8
1 1H GLY 1 1HT GLY 1 -7.497 -12.574 -2.980
2 2H GLY 1 2HT GLY 1 -6.530 -13.924 -2.619
3 3H GLY 1 3HT GLY 1 -6.006 -12.363 -2.200
4 1HA GLY 1 1HA GLY 1 -7.573 -14.157 -0.699
5 2HA GLY 1 2HA GLY 1 -6.935 -12.584 -0.221
6 H LYS 2 H LYS 2 -8.301 -10.774 -0.326
7 HA LYS 2 HA LYS 2 -11.167 -11.373 -0.445
8 1HB LYS 2 2HB LYS 2 -11.405 -8.944 0.139
9 2HB LYS 2 1HB LYS 2 -10.388 -9.836 1.271
10 1HG LYS 2 2HG LYS 2 -8.644 -8.966 -0.751
11 2HG LYS 2 1HG LYS 2 -9.694 -7.587 -0.423
12 1HD LYS 2 2HD LYS 2 -9.134 -7.592 1.902
13 2HD LYS 2 1HD LYS 2 -8.351 -9.168 1.779
14 1HE LYS 2 2HE LYS 2 -6.636 -7.440 1.843
15 2HE LYS 2 1HE LYS 2 -6.665 -8.157 0.233
16 1HZ LYS 2 1HZ LYS 2 -6.936 -6.108 -0.534
17 2HZ LYS 2 2HZ LYS 2 -7.196 -5.474 1.021
18 3HZ LYS 2 3HZ LYS 2 -8.495 -6.120 0.137
19 H GLU 3 H GLU 3 -12.632 -9.999 -1.796
20 HA GLU 3 HA GLU 3 -11.402 -9.529 -4.478
21 1HB GLU 3 2HB GLU 3 -13.736 -9.776 -5.326
22 2HB GLU 3 1HB GLU 3 -13.168 -11.217 -4.479
23 1HG GLU 3 2HG GLU 3 -14.390 -9.314 -2.645
24 2HG GLU 3 1HG GLU 3 -15.507 -9.794 -3.922
25 H CYS 4 H CYS 4 -10.892 -7.434 -2.880
26 HA CYS 4 HA CYS 4 -12.901 -5.445 -3.770
27 1HB CYS 4 2HB CYS 4 -12.923 -6.017 -1.245
28 2HB CYS 4 1HB CYS 4 -11.448 -5.099 -1.213
29 H ASP 5 H ASP 5 -11.600 -4.801 -5.530
30 HA ASP 5 HA ASP 5 -8.789 -4.178 -5.253
31 1HB ASP 5 2HB ASP 5 -10.358 -4.653 -7.386
32 2HB ASP 5 1HB ASP 5 -10.378 -2.889 -7.412
33 H CYS 6 H CYS 6 -11.466 -2.605 -4.058
34 HA CYS 6 HA CYS 6 -9.957 -0.030 -3.973
35 1HB CYS 6 2HB CYS 6 -12.297 1.060 -4.002
36 2HB CYS 6 1HB CYS 6 -11.683 0.435 -5.532
37 H SER 7 H SER 7 -10.728 1.361 -2.106
38 HA SER 7 HA SER 7 -11.540 -0.395 0.176
39 1HB SER 7 2HB SER 7 -10.174 0.911 1.611
40 2HB SER 7 1HB SER 7 -9.200 0.681 0.163
41 HG SER 7 HG SER 7 -9.843 2.943 1.254
42 H SER 8 H SER 8 -12.382 2.330 -1.726
43 HA SER 8 HA SER 8 -14.408 3.135 0.316
44 1HB SER 8 2HB SER 8 -12.556 4.697 -1.168
45 2HB SER 8 1HB SER 8 -14.170 5.087 -1.751
46 HG SER 8 HG SER 8 -13.046 5.959 0.422
47 HA PRO 9 HA PRO 9 -17.245 1.557 -2.730
48 1HB PRO 9 2HB PRO 9 -19.518 2.082 -1.278
49 2HB PRO 9 1HB PRO 9 -18.453 0.701 -0.961
50 1HG PRO 9 2HG PRO 9 -18.758 3.228 0.589
51 2HG PRO 9 1HG PRO 9 -18.217 1.634 1.139
52 1HD PRO 9 2HD PRO 9 -16.553 3.861 0.560
53 2HD PRO 9 1HD PRO 9 -16.015 2.189 0.835
54 H GLU 10 H GLU 10 -16.527 4.684 -2.192
55 HA GLU 10 HA GLU 10 -18.848 5.691 -3.793
56 1HB GLU 10 2HB GLU 10 -17.417 6.789 -1.454
57 2HB GLU 10 1HB GLU 10 -17.695 7.949 -2.753
58 1HG GLU 10 2HG GLU 10 -20.041 6.283 -2.238
59 2HG GLU 10 1HG GLU 10 -19.548 7.201 -0.816
60 H ASN 11 H ASN 11 -15.504 5.084 -3.769
61 HA ASN 11 HA ASN 11 -14.501 7.182 -5.395
62 1HB ASN 11 2HB ASN 11 -13.504 4.801 -4.311
63 2HB ASN 11 1HB ASN 11 -13.325 4.605 -6.054
64 1HD2 ASN 11 1HD2 ASN 11 -10.906 4.792 -5.171
65 2HD2 ASN 11 2HD2 ASN 11 -10.253 6.358 -5.183
66 HA PRO 12 HA PRO 12 -16.310 6.339 -9.308
67 1HB PRO 12 2HB PRO 12 -14.390 7.477 -10.915
68 2HB PRO 12 1HB PRO 12 -15.550 8.416 -9.960
69 1HG PRO 12 2HG PRO 12 -12.647 7.953 -9.458
70 2HG PRO 12 1HG PRO 12 -13.668 9.313 -8.964
71 1HD PRO 12 2HD PRO 12 -12.849 7.174 -7.304
72 2HD PRO 12 1HD PRO 12 -14.134 8.345 -6.936
73 H CYS 13 H CYS 13 -13.038 5.271 -8.622
74 HA CYS 13 HA CYS 13 -13.082 3.432 -10.953
75 1HB CYS 13 2HB CYS 13 -11.021 4.781 -9.482
76 2HB CYS 13 1HB CYS 13 -10.757 3.041 -9.379
77 H CYS 14 H CYS 14 -14.573 3.293 -8.179
78 HA CYS 14 HA CYS 14 -13.745 0.470 -7.626
79 1HB CYS 14 2HB CYS 14 -13.297 1.812 -5.671
80 2HB CYS 14 1HB CYS 14 -14.893 2.556 -5.756
81 H ASP 15 H ASP 15 -15.463 -0.985 -7.074
82 HA ASP 15 HA ASP 15 -18.158 -0.111 -8.002
83 1HB ASP 15 2HB ASP 15 -16.561 -1.738 -9.477
84 2HB ASP 15 1HB ASP 15 -17.401 -2.913 -8.475
85 H ALA 16 H ALA 16 -19.160 -0.051 -6.021
86 HA ALA 16 HA ALA 16 -18.598 -1.808 -3.847
87 1HB ALA 16 1HB ALA 16 -19.912 0.471 -3.941
88 2HB ALA 16 2HB ALA 16 -20.349 -0.742 -2.737
89 3HB ALA 16 3HB ALA 16 -21.308 -0.571 -4.208
90 H ALA 17 H ALA 17 -20.460 -2.226 -6.724
91 HA ALA 17 HA ALA 17 -22.358 -4.153 -5.844
92 1HB ALA 17 1HB ALA 17 -22.581 -3.283 -8.067
93 2HB ALA 17 2HB ALA 17 -22.197 -4.994 -8.249
94 3HB ALA 17 3HB ALA 17 -20.943 -3.779 -8.495
95 H THR 18 H THR 18 -18.934 -4.314 -6.205
96 HA THR 18 HA THR 18 -18.957 -7.072 -5.197
97 HB THR 18 HB THR 18 -18.970 -7.680 -7.473
98 HG1 THR 18 HG1 THR 18 -17.276 -8.791 -6.880
99 1HG2 THR 18 1HG2 THR 18 -18.651 -5.273 -8.232
100 2HG2 THR 18 2HG2 THR 18 -17.854 -6.493 -9.227
101 3HG2 THR 18 3HG2 THR 18 -16.915 -5.544 -8.073
102 H CYS 19 H CYS 19 -17.868 -4.138 -4.696
103 HA CYS 19 HA CYS 19 -15.958 -3.300 -3.555
104 1HB CYS 19 2HB CYS 19 -16.283 -5.948 -2.753
105 2HB CYS 19 1HB CYS 19 -14.586 -5.799 -3.180
106 H LYS 20 H LYS 20 -15.857 -4.610 -6.567
107 HA LYS 20 HA LYS 20 -12.892 -4.280 -6.734
108 1HB LYS 20 2HB LYS 20 -14.826 -5.973 -8.283
109 2HB LYS 20 1HB LYS 20 -13.287 -5.502 -9.006
110 1HG LYS 20 2HG LYS 20 -12.492 -6.309 -6.502
111 2HG LYS 20 1HG LYS 20 -13.827 -7.417 -6.826
112 1HD LYS 20 2HD LYS 20 -12.367 -7.260 -9.233
113 2HD LYS 20 1HD LYS 20 -11.163 -7.407 -7.952
114 1HE LYS 20 2HE LYS 20 -12.881 -9.254 -7.070
115 2HE LYS 20 1HE LYS 20 -13.292 -9.327 -8.784
116 1HZ LYS 20 1HZ LYS 20 -10.458 -9.281 -8.154
117 2HZ LYS 20 2HZ LYS 20 -11.301 -10.184 -9.321
118 3HZ LYS 20 3HZ LYS 20 -11.287 -10.688 -7.698
119 H LEU 21 H LEU 21 -12.064 -3.330 -8.742
120 HA LEU 21 HA LEU 21 -12.792 -0.756 -9.268
121 1HB LEU 21 2HB LEU 21 -11.669 -2.867 -11.096
122 2HB LEU 21 1HB LEU 21 -11.983 -1.241 -11.700
123 HG LEU 21 HG LEU 21 -10.413 -1.674 -9.164
124 1HD1 LEU 21 1HD1 LEU 21 -8.553 -2.309 -10.286
125 2HD1 LEU 21 2HD1 LEU 21 -8.821 -1.108 -11.550
126 3HD1 LEU 21 3HD1 LEU 21 -9.621 -2.678 -11.640
127 1HD2 LEU 21 1HD2 LEU 21 -11.261 0.552 -10.806
128 2HD2 LEU 21 2HD2 LEU 21 -9.502 0.505 -10.699
129 3HD2 LEU 21 3HD2 LEU 21 -10.473 0.574 -9.228
130 H ARG 22 H ARG 22 -14.466 0.298 -10.226
131 HA ARG 22 HA ARG 22 -16.701 -1.288 -11.269
132 1HB ARG 22 2HB ARG 22 -17.451 0.518 -9.970
133 2HB ARG 22 1HB ARG 22 -16.281 1.634 -10.663
134 1HG ARG 22 2HG ARG 22 -18.104 0.460 -12.649
135 2HG ARG 22 1HG ARG 22 -18.921 1.439 -11.431
136 1HD ARG 22 2HD ARG 22 -17.710 3.374 -11.993
137 2HD ARG 22 1HD ARG 22 -16.435 2.456 -12.794
138 HE ARG 22 HE ARG 22 -18.333 1.888 -14.500
139 1HH1 ARG 22 1HH1 ARG 22 -17.190 4.858 -13.406
140 2HH1 ARG 22 2HH1 ARG 22 -18.386 5.812 -14.220
141 1HH2 ARG 22 1HH2 ARG 22 -20.256 3.076 -15.239
142 2HH2 ARG 22 2HH2 ARG 22 -20.122 4.801 -15.258
143 HA PRO 23 HA PRO 23 -15.372 0.973 -15.259
144 1HB PRO 23 2HB PRO 23 -12.959 2.280 -15.247
145 2HB PRO 23 1HB PRO 23 -14.491 3.057 -14.814
146 1HG PRO 23 2HG PRO 23 -12.257 2.210 -13.044
147 2HG PRO 23 1HG PRO 23 -13.494 3.448 -12.775
148 1HD PRO 23 2HD PRO 23 -13.456 0.822 -11.680
149 2HD PRO 23 1HD PRO 23 -14.793 1.987 -11.596
150 H GLY 24 H GLY 24 -12.927 0.967 -16.631
151 1HA GLY 24 2HA GLY 24 -12.149 -1.892 -16.374
152 2HA GLY 24 1HA GLY 24 -11.890 -0.888 -17.800
153 H ALA 25 H ALA 25 -11.163 0.696 -14.872
154 HA ALA 25 HA ALA 25 -8.427 1.091 -15.530
155 1HB ALA 25 1HB ALA 25 -9.699 2.574 -14.009
156 2HB ALA 25 2HB ALA 25 -8.209 2.003 -13.257
157 3HB ALA 25 3HB ALA 25 -9.755 1.281 -12.810
158 H GLN 26 H GLN 26 -6.550 0.343 -14.182
159 HA GLN 26 HA GLN 26 -6.763 -2.563 -13.745
160 1HB GLN 26 2HB GLN 26 -4.627 -0.650 -14.321
161 2HB GLN 26 1HB GLN 26 -4.171 -1.882 -13.147
162 1HG GLN 26 2HG GLN 26 -3.756 -3.159 -14.987
163 2HG GLN 26 1HG GLN 26 -5.504 -3.373 -15.014
164 1HE2 GLN 26 1HE2 GLN 26 -5.824 -3.377 -17.299
165 2HE2 GLN 26 2HE2 GLN 26 -5.457 -2.047 -18.287
166 H CYS 27 H CYS 27 -6.976 0.271 -11.906
167 HA CYS 27 HA CYS 27 -7.235 -1.176 -9.441
168 1HB CYS 27 2HB CYS 27 -5.294 -0.083 -8.268
169 2HB CYS 27 1HB CYS 27 -4.816 -1.278 -9.474
170 H GLY 28 H GLY 28 -7.949 0.238 -7.709
171 1HA GLY 28 2HA GLY 28 -8.919 2.856 -8.749
172 2HA GLY 28 1HA GLY 28 -9.640 1.973 -7.405
173 H GLU 29 H GLU 29 -6.609 1.506 -6.634
174 HA GLU 29 HA GLU 29 -5.524 4.035 -5.919
175 1HB GLU 29 2HB GLU 29 -6.134 4.069 -3.502
176 2HB GLU 29 1HB GLU 29 -7.528 4.304 -4.553
177 1HG GLU 29 2HG GLU 29 -8.487 2.612 -3.399
178 2HG GLU 29 1HG GLU 29 -7.407 1.551 -4.302
179 H GLY 30 H GLY 30 -3.461 3.699 -5.154
180 1HA GLY 30 2HA GLY 30 -2.644 1.580 -3.453
181 2HA GLY 30 1HA GLY 30 -2.350 1.080 -5.118
182 H LEU 31 H LEU 31 -0.154 1.347 -3.542
183 HA LEU 31 HA LEU 31 0.984 4.005 -3.592
184 1HB LEU 31 2HB LEU 31 1.754 1.369 -2.701
185 2HB LEU 31 1HB LEU 31 3.093 2.182 -3.494
186 HG LEU 31 HG LEU 31 2.857 2.592 -0.985
187 1HD1 LEU 31 1HD1 LEU 31 3.838 4.154 -2.960
188 2HD1 LEU 31 2HD1 LEU 31 3.870 4.631 -1.263
189 3HD1 LEU 31 3HD1 LEU 31 2.597 5.234 -2.324
190 1HD2 LEU 31 1HD2 LEU 31 0.661 4.491 -1.816
191 2HD2 LEU 31 2HD2 LEU 31 1.119 3.988 -0.189
192 3HD2 LEU 31 3HD2 LEU 31 0.294 2.857 -1.262
193 H CYS 32 H CYS 32 1.343 1.110 -5.613
194 HA CYS 32 HA CYS 32 2.930 2.713 -7.554
195 1HB CYS 32 2HB CYS 32 2.531 -0.103 -8.239
196 2HB CYS 32 1HB CYS 32 4.030 0.804 -8.078
197 H CYS 33 H CYS 33 0.367 3.544 -7.609
198 HA CYS 33 HA CYS 33 -0.603 2.418 -10.180
199 1HB CYS 33 2HB CYS 33 -1.950 2.179 -7.603
200 2HB CYS 33 1HB CYS 33 -2.952 2.996 -8.801
201 H GLU 34 H GLU 34 -1.059 4.041 -11.577
202 HA GLU 34 HA GLU 34 -1.029 6.816 -10.595
203 1HB GLU 34 2HB GLU 34 -1.683 6.495 -13.410
204 2HB GLU 34 1HB GLU 34 -0.348 7.369 -12.672
205 1HG GLU 34 2HG GLU 34 0.748 5.083 -12.301
206 2HG GLU 34 1HG GLU 34 -0.478 4.435 -13.392
207 H GLN 35 H GLN 35 -2.775 7.896 -12.587
208 HA GLN 35 HA GLN 35 -5.238 7.887 -11.193
209 1HB GLN 35 2HB GLN 35 -4.182 9.031 -13.644
210 2HB GLN 35 1HB GLN 35 -5.858 8.522 -13.853
211 1HG GLN 35 2HG GLN 35 -4.969 10.132 -11.456
212 2HG GLN 35 1HG GLN 35 -5.481 10.901 -12.959
213 1HE2 GLN 35 1HE2 GLN 35 -6.930 11.104 -10.420
214 2HE2 GLN 35 2HE2 GLN 35 -8.450 10.387 -10.656
215 H CYS 36 H CYS 36 -5.853 5.686 -10.851
216 HA CYS 36 HA CYS 36 -7.003 3.711 -11.368
217 1HB CYS 36 2HB CYS 36 -7.855 5.537 -13.618
218 2HB CYS 36 1HB CYS 36 -8.470 3.893 -13.466
219 H LYS 37 H LYS 37 -4.315 3.579 -12.025
220 HA LYS 37 HA LYS 37 -4.397 1.619 -14.192
221 1HB LYS 37 2HB LYS 37 -3.152 4.326 -14.565
222 2HB LYS 37 1HB LYS 37 -2.427 2.922 -15.350
223 1HG LYS 37 2HG LYS 37 -5.097 2.553 -15.892
224 2HG LYS 37 1HG LYS 37 -4.952 4.310 -15.954
225 1HD LYS 37 2HD LYS 37 -4.232 3.965 -18.082
226 2HD LYS 37 1HD LYS 37 -2.704 3.529 -17.316
227 1HE LYS 37 2HE LYS 37 -3.044 1.261 -17.602
228 2HE LYS 37 1HE LYS 37 -4.800 1.412 -17.552
229 1HZ LYS 37 1HZ LYS 37 -4.312 0.972 -19.772
230 2HZ LYS 37 2HZ LYS 37 -2.965 2.007 -19.790
231 3HZ LYS 37 3HZ LYS 37 -4.535 2.653 -19.740
232 H PHE 38 H PHE 38 -2.306 0.460 -14.380
233 HA PHE 38 HA PHE 38 -0.984 0.277 -11.771
234 1HB PHE 38 2HB PHE 38 -0.743 -1.207 -14.384
235 2HB PHE 38 1HB PHE 38 0.462 -1.426 -13.118
236 HD1 PHE 38 HD1 PHE 38 -1.975 -3.216 -14.382
237 HD2 PHE 38 HD2 PHE 38 -1.192 -1.203 -10.670
238 HE1 PHE 38 HE1 PHE 38 -3.487 -4.792 -13.210
239 HE2 PHE 38 HE2 PHE 38 -2.708 -2.777 -9.498
240 HZ PHE 38 HZ PHE 38 -3.856 -4.572 -10.766
241 H SER 39 H SER 39 0.681 1.618 -11.247
242 HA SER 39 HA SER 39 1.973 3.378 -13.043
243 1HB SER 39 2HB SER 39 2.629 2.338 -10.330
244 2HB SER 39 1HB SER 39 3.859 3.235 -11.204
245 HG SER 39 HG SER 39 2.388 4.497 -9.846
246 H ARG 40 H ARG 40 4.579 3.172 -13.208
247 HA ARG 40 HA ARG 40 4.992 0.652 -14.663
248 1HB ARG 40 2HB ARG 40 7.159 1.802 -15.357
249 2HB ARG 40 1HB ARG 40 5.675 2.589 -15.890
250 1HG ARG 40 2HG ARG 40 6.047 4.421 -14.606
251 2HG ARG 40 1HG ARG 40 6.583 3.456 -13.231
252 1HD ARG 40 2HD ARG 40 8.645 4.272 -13.729
253 2HD ARG 40 1HD ARG 40 8.632 3.061 -15.010
254 HE ARG 40 HE ARG 40 7.344 5.386 -16.009
255 1HH1 ARG 40 1HH1 ARG 40 10.348 3.836 -15.576
256 2HH1 ARG 40 2HH1 ARG 40 11.280 5.112 -16.288
257 1HH2 ARG 40 1HH2 ARG 40 8.573 7.247 -16.652
258 2HH2 ARG 40 2HH2 ARG 40 10.275 7.042 -16.897
259 H ALA 41 H ALA 41 6.634 -0.831 -14.109
260 HA ALA 41 HA ALA 41 7.215 -1.261 -11.405
261 1HB ALA 41 1HB ALA 41 9.173 -2.651 -12.303
262 2HB ALA 41 2HB ALA 41 8.681 -2.115 -13.909
263 3HB ALA 41 3HB ALA 41 7.577 -3.071 -12.922
264 H GLY 42 H GLY 42 9.869 -1.473 -10.900
265 1HA GLY 42 2HA GLY 42 11.634 -0.131 -10.103
266 2HA GLY 42 1HA GLY 42 11.568 0.622 -11.698
267 H LYS 43 H LYS 43 8.733 0.637 -9.685
268 HA LYS 43 HA LYS 43 8.886 3.577 -9.567
269 1HB LYS 43 2HB LYS 43 6.743 2.970 -10.232
270 2HB LYS 43 1HB LYS 43 6.722 1.541 -9.207
271 1HG LYS 43 2HG LYS 43 5.205 3.277 -8.321
272 2HG LYS 43 1HG LYS 43 6.532 2.979 -7.204
273 1HD LYS 43 2HD LYS 43 6.734 5.255 -7.254
274 2HD LYS 43 1HD LYS 43 7.631 4.932 -8.738
275 1HE LYS 43 2HE LYS 43 6.020 6.583 -9.331
276 2HE LYS 43 1HE LYS 43 5.374 5.063 -9.949
277 1HZ LYS 43 1HZ LYS 43 4.593 5.504 -7.250
278 2HZ LYS 43 2HZ LYS 43 3.626 5.223 -8.619
279 3HZ LYS 43 3HZ LYS 43 4.121 6.802 -8.233
280 H ILE 44 H ILE 44 9.426 4.674 -7.731
281 HA ILE 44 HA ILE 44 10.217 3.160 -5.366
282 HB ILE 44 HB ILE 44 11.579 5.038 -5.845
283 1HG1 ILE 44 2HG1 ILE 44 11.135 6.624 -3.928
284 2HG1 ILE 44 1HG1 ILE 44 9.629 5.757 -3.635
285 1HG2 ILE 44 1HG2 ILE 44 10.054 7.333 -5.741
286 2HG2 ILE 44 2HG2 ILE 44 9.002 6.208 -6.601
287 3HG2 ILE 44 3HG2 ILE 44 10.619 6.551 -7.217
288 1HD1 ILE 44 1HD1 ILE 44 12.231 5.071 -2.725
289 2HD1 ILE 44 2HD1 ILE 44 11.758 3.849 -3.907
290 3HD1 ILE 44 3HD1 ILE 44 10.736 4.162 -2.503
291 H CYS 45 H CYS 45 8.378 2.250 -4.509
292 HA CYS 45 HA CYS 45 5.989 3.853 -3.917
293 1HB CYS 45 2HB CYS 45 5.284 1.681 -2.754
294 2HB CYS 45 1HB CYS 45 5.533 1.599 -4.491
295 H ARG 46 H ARG 46 8.931 2.983 -2.329
296 HA ARG 46 HA ARG 46 8.222 4.620 -0.027
297 1HB ARG 46 2HB ARG 46 7.415 1.979 0.141
298 2HB ARG 46 1HB ARG 46 8.980 1.960 0.953
299 1HG ARG 46 2HG ARG 46 7.733 2.624 2.752
300 2HG ARG 46 1HG ARG 46 7.938 4.217 2.024
301 1HD ARG 46 2HD ARG 46 5.777 3.260 0.638
302 2HD ARG 46 1HD ARG 46 5.520 2.542 2.227
303 HE ARG 46 HE ARG 46 6.187 5.323 2.510
304 1HH1 ARG 46 1HH2 ARG 46 3.849 3.998 0.522
305 2HH1 ARG 46 2HH2 ARG 46 2.494 4.711 1.333
306 1HH2 ARG 46 1HH1 ARG 46 4.372 5.894 3.997
307 2HH2 ARG 46 2HH1 ARG 46 2.790 5.783 3.300
308 H ILE 47 H ILE 47 10.097 5.616 0.510
309 HA ILE 47 HA ILE 47 12.634 4.787 -0.566
310 HB ILE 47 HB ILE 47 12.215 7.134 -0.050
311 1HG1 ILE 47 2HG1 ILE 47 14.236 7.599 1.336
312 2HG1 ILE 47 1HG1 ILE 47 14.302 5.889 1.768
313 1HG2 ILE 47 1HG2 ILE 47 12.050 7.846 2.343
314 2HG2 ILE 47 2HG2 ILE 47 11.958 6.146 2.806
315 3HG2 ILE 47 3HG2 ILE 47 10.681 6.864 1.824
316 1HD1 ILE 47 1HD1 ILE 47 14.612 7.100 -0.990
317 2HD1 ILE 47 2HD1 ILE 47 14.402 5.370 -0.711
318 3HD1 ILE 47 3HD1 ILE 47 15.820 6.201 -0.071
319 H ALA 48 H ALA 48 14.490 4.009 0.659
320 HA ALA 48 HA ALA 48 13.774 1.953 2.554
321 1HB ALA 48 1HB ALA 48 15.709 1.132 1.761
322 2HB ALA 48 2HB ALA 48 16.568 2.380 2.664
323 3HB ALA 48 3HB ALA 48 16.084 2.675 0.993
324 H ARG 49 H ARG 49 15.899 2.070 4.383
325 HA ARG 49 HA ARG 49 15.459 4.579 5.897
326 1HB ARG 49 2HB ARG 49 15.336 1.844 7.109
327 2HB ARG 49 1HB ARG 49 15.004 3.368 7.922
328 1HG ARG 49 2HG ARG 49 13.418 2.636 5.483
329 2HG ARG 49 1HG ARG 49 13.012 1.885 7.025
330 1HD ARG 49 2HD ARG 49 13.399 4.857 6.902
331 2HD ARG 49 1HD ARG 49 11.876 4.162 6.348
332 HE ARG 49 HE ARG 49 11.933 3.012 8.718
333 1HH1 ARG 49 1HH1 ARG 49 10.546 5.593 8.735
334 2HH1 ARG 49 2HH1 ARG 49 11.419 6.509 9.917
335 1HH2 ARG 49 1HH2 ARG 49 14.186 4.418 9.881
336 2HH2 ARG 49 2HH2 ARG 49 13.480 5.843 10.566
337 H GLY 50 H GLY 50 17.152 1.494 6.042
338 1HA GLY 50 2HA GLY 50 19.420 2.593 7.454
339 2HA GLY 50 1HA GLY 50 19.326 0.973 6.771
340 H ASP 51 H ASP 51 18.466 3.050 4.346
341 HA ASP 51 HA ASP 51 19.644 4.123 2.604
342 1HB ASP 51 2HB ASP 51 21.467 4.292 4.701
343 2HB ASP 51 1HB ASP 51 22.352 3.481 3.412
344 H TRP 52 H TRP 52 19.277 2.794 0.918
345 HA TRP 52 HA TRP 52 21.234 1.137 -0.189
346 1HB TRP 52 2HB TRP 52 19.808 -1.101 0.279
347 2HB TRP 52 1HB TRP 52 21.164 -0.617 1.286
348 HD1 TRP 52 HD1 TRP 52 17.649 0.950 1.359
349 HE1 TRP 52 HE1 TRP 52 16.660 0.596 3.707
350 HE3 TRP 52 HE3 TRP 52 21.310 -1.915 3.431
351 HZ2 TRP 52 HZ2 TRP 52 17.338 -0.718 6.157
352 HZ3 TRP 52 HZ3 TRP 52 21.124 -2.708 5.772
353 HH2 TRP 52 HH2 TRP 52 19.141 -2.112 7.139
354 H ASN 53 H ASN 53 19.624 -0.814 -1.485
355 HA ASN 53 HA ASN 53 18.409 0.740 -3.514
356 1HB ASN 53 2HB ASN 53 18.558 -2.110 -2.806
357 2HB ASN 53 1HB ASN 53 17.084 -1.675 -3.672
358 1HD2 ASN 53 1HD2 ASN 53 17.420 -0.434 -5.777
359 2HD2 ASN 53 2HD2 ASN 53 18.826 -0.747 -6.677
360 H ASP 54 H ASP 54 16.611 1.962 -3.366
361 HA ASP 54 HA ASP 54 14.778 1.893 -1.177
362 1HB ASP 54 2HB ASP 54 13.304 3.232 -2.828
363 2HB ASP 54 1HB ASP 54 14.867 3.922 -2.387
364 H ASP 55 H ASP 55 12.265 1.718 -1.850
365 HA ASP 55 HA ASP 55 11.936 -1.090 -2.696
366 1HB ASP 55 2HB ASP 55 10.622 0.630 -0.866
367 2HB ASP 55 1HB ASP 55 9.452 0.205 -2.111
368 H ARG 56 H ARG 56 11.545 -1.517 -4.800
369 HA ARG 56 HA ARG 56 10.306 0.598 -6.490
370 1HB ARG 56 2HB ARG 56 11.764 -1.894 -7.321
371 2HB ARG 56 1HB ARG 56 11.248 -0.590 -8.378
372 1HG ARG 56 2HG ARG 56 12.942 0.166 -6.052
373 2HG ARG 56 1HG ARG 56 13.738 -0.716 -7.356
374 1HD ARG 56 2HD ARG 56 12.109 1.210 -8.619
375 2HD ARG 56 1HD ARG 56 12.901 2.050 -7.286
376 HE ARG 56 HE ARG 56 14.813 0.446 -8.714
377 1HH1 ARG 56 1HH1 ARG 56 14.242 3.544 -7.864
378 2HH1 ARG 56 2HH1 ARG 56 14.757 4.279 -9.346
379 1HH2 ARG 56 1HH2 ARG 56 14.908 1.284 -11.088
380 2HH2 ARG 56 2HH2 ARG 56 15.134 2.999 -11.171
381 H CYS 57 H CYS 57 8.510 0.029 -7.854
382 HA CYS 57 HA CYS 57 7.038 -2.383 -6.894
383 1HB CYS 57 2HB CYS 57 6.151 0.219 -8.123
384 2HB CYS 57 1HB CYS 57 5.106 -1.197 -8.164
385 H THR 58 H THR 58 5.587 -3.310 -8.734
386 HA THR 58 HA THR 58 7.371 -3.903 -11.009
387 HB THR 58 HB THR 58 5.943 -5.749 -11.450
388 HG1 THR 58 HG1 THR 58 3.860 -5.851 -10.650
389 1HG2 THR 58 1HG2 THR 58 6.211 -5.147 -8.512
390 2HG2 THR 58 2HG2 THR 58 7.113 -6.305 -9.489
391 3HG2 THR 58 3HG2 THR 58 5.436 -6.635 -9.057
392 H GLY 59 H GLY 59 5.744 -4.294 -13.118
393 1HA GLY 59 2HA GLY 59 4.778 -1.546 -13.674
394 2HA GLY 59 1HA GLY 59 5.123 -2.778 -14.887
395 H GLN 60 H GLN 60 3.417 -4.154 -12.340
396 HA GLN 60 HA GLN 60 0.756 -3.484 -13.477
397 1HB GLN 60 2HB GLN 60 1.947 -6.265 -13.330
398 2HB GLN 60 1HB GLN 60 0.219 -5.967 -13.518
399 1HG GLN 60 2HG GLN 60 1.974 -4.478 -15.384
400 2HG GLN 60 1HG GLN 60 1.927 -6.224 -15.616
401 1HE2 GLN 60 1HE2 GLN 60 0.625 -3.819 -17.130
402 2HE2 GLN 60 2HE2 GLN 60 -0.995 -4.300 -17.293
403 H SER 61 H SER 61 2.392 -3.262 -10.846
404 HA SER 61 HA SER 61 0.457 -4.685 -9.071
405 1HB SER 61 2HB SER 61 2.993 -4.998 -8.801
406 2HB SER 61 1HB SER 61 3.022 -3.341 -8.205
407 HG SER 61 HG SER 61 2.659 -4.455 -6.402
408 H ALA 62 H ALA 62 -0.589 -3.495 -7.384
409 HA ALA 62 HA ALA 62 -0.673 -0.549 -7.889
410 1HB ALA 62 1HB ALA 62 -2.737 -2.500 -6.866
411 2HB ALA 62 2HB ALA 62 -2.851 -1.408 -8.245
412 3HB ALA 62 3HB ALA 62 -2.905 -0.765 -6.604
413 H ASP 63 H ASP 63 -0.115 -3.027 -5.488
414 HA ASP 63 HA ASP 63 0.166 -0.923 -3.392
415 1HB ASP 63 2HB ASP 63 0.267 -3.867 -2.877
416 2HB ASP 63 1HB ASP 63 -0.167 -2.575 -1.767
417 H CYS 64 H CYS 64 2.037 -1.525 -1.789
418 HA CYS 64 HA CYS 64 4.396 -2.388 -3.410
419 1HB CYS 64 2HB CYS 64 4.502 0.015 -3.119
420 2HB CYS 64 1HB CYS 64 4.197 -0.137 -1.391
421 HA PRO 65 HA PRO 65 4.876 -5.234 -0.088
422 1HB PRO 65 2HB PRO 65 7.110 -6.402 -1.149
423 2HB PRO 65 1HB PRO 65 5.476 -6.773 -1.698
424 1HG PRO 65 2HG PRO 65 7.613 -5.196 -3.031
425 2HG PRO 65 1HG PRO 65 6.226 -6.036 -3.747
426 1HD PRO 65 2HD PRO 65 6.445 -3.245 -3.277
427 2HD PRO 65 1HD PRO 65 4.977 -4.128 -3.747
428 H ARG 66 H ARG 66 5.846 -4.717 1.852
429 HA ARG 66 HA ARG 66 7.926 -2.758 2.060
430 1HB ARG 66 2HB ARG 66 6.491 -4.574 3.932
431 2HB ARG 66 1HB ARG 66 8.044 -3.936 4.471
432 1HG ARG 66 2HG ARG 66 7.197 -1.631 3.802
433 2HG ARG 66 1HG ARG 66 5.604 -2.366 3.608
434 1HD ARG 66 2HD ARG 66 5.766 -1.424 5.848
435 2HD ARG 66 1HD ARG 66 5.745 -3.183 5.968
436 HE ARG 66 HE ARG 66 8.446 -2.535 5.862
437 1HH1 ARG 66 1HH1 ARG 66 6.667 -3.554 8.237
438 2HH1 ARG 66 2HH1 ARG 66 7.168 -2.444 9.468
439 1HH2 ARG 66 1HH2 ARG 66 8.700 -0.264 7.249
440 2HH2 ARG 66 2HH2 ARG 66 8.318 -0.581 8.909
441 H TYR 67 H TYR 67 9.697 -3.508 0.771
442 HA TYR 67 HA TYR 67 10.881 -6.091 1.011
443 1HB TYR 67 2HB TYR 67 11.367 -3.750 -0.472
444 2HB TYR 67 1HB TYR 67 12.847 -4.067 0.430
445 HD1 TYR 67 HD1 TYR 67 12.648 -7.064 0.646
446 HD2 TYR 67 HD2 TYR 67 12.004 -4.413 -2.672
447 HE1 TYR 67 HE1 TYR 67 13.225 -8.893 -0.926
448 HE2 TYR 67 HE2 TYR 67 12.580 -6.243 -4.244
449 HH TYR 67 HH TYR 67 12.494 -8.876 -4.113
450 H HIS 68 HN HIS 68 11.010 -3.293 3.043
451 HA HIS 68 HA HIS 68 12.723 -4.771 4.938
452 1HB HIS 68 2HB HIS 68 14.357 -3.526 3.594
453 2HB HIS 68 1HB HIS 68 13.467 -2.028 3.870
454 HD1 HIS 68 HD1 HIS 68 14.201 -0.700 5.854
455 HD2 HIS 68 HD2 HIS 68 15.278 -4.712 6.208
456 HE1 HIS 68 HE1 HIS 68 15.558 -0.893 7.985
Start of MODEL 9
1 1H GLY 1 1HT GLY 1 -13.171 -14.980 -2.036
2 2H GLY 1 2HT GLY 1 -12.930 -16.097 -3.294
3 3H GLY 1 3HT GLY 1 -14.491 -15.829 -2.679
4 1HA GLY 1 1HA GLY 1 -12.971 -14.302 -4.613
5 2HA GLY 1 2HA GLY 1 -14.716 -14.470 -4.429
6 H LYS 2 H LYS 2 -12.045 -12.437 -3.863
7 HA LYS 2 HA LYS 2 -13.000 -10.952 -1.600
8 1HB LYS 2 2HB LYS 2 -10.672 -10.796 -2.442
9 2HB LYS 2 1HB LYS 2 -11.267 -10.007 -3.904
10 1HG LYS 2 2HG LYS 2 -12.310 -8.248 -2.410
11 2HG LYS 2 1HG LYS 2 -11.428 -8.972 -1.065
12 1HD LYS 2 2HD LYS 2 -9.478 -8.702 -3.015
13 2HD LYS 2 1HD LYS 2 -10.446 -7.240 -3.212
14 1HE LYS 2 2HE LYS 2 -10.289 -6.968 -0.672
15 2HE LYS 2 1HE LYS 2 -9.044 -8.217 -0.717
16 1HZ LYS 2 1HZ LYS 2 -7.640 -6.889 -1.964
17 2HZ LYS 2 2HZ LYS 2 -8.336 -5.775 -0.886
18 3HZ LYS 2 3HZ LYS 2 -8.885 -5.866 -2.490
19 H GLU 3 H GLU 3 -14.857 -9.792 -1.538
20 HA GLU 3 HA GLU 3 -15.915 -8.693 -4.100
21 1HB GLU 3 2HB GLU 3 -17.673 -8.543 -1.771
22 2HB GLU 3 1HB GLU 3 -18.004 -9.170 -3.380
23 1HG GLU 3 2HG GLU 3 -16.728 -11.242 -2.778
24 2HG GLU 3 1HG GLU 3 -16.574 -10.622 -1.134
25 H CYS 4 H CYS 4 -13.913 -7.162 -3.286
26 HA CYS 4 HA CYS 4 -15.071 -4.602 -2.795
27 1HB CYS 4 2HB CYS 4 -14.150 -6.119 -0.422
28 2HB CYS 4 1HB CYS 4 -13.638 -4.448 -0.514
29 H ASP 5 H ASP 5 -13.490 -4.992 -4.749
30 HA ASP 5 HA ASP 5 -10.759 -5.221 -4.681
31 1HB ASP 5 2HB ASP 5 -12.034 -4.690 -6.730
32 2HB ASP 5 1HB ASP 5 -12.264 -3.042 -6.156
33 H CYS 6 H CYS 6 -12.624 -2.423 -3.585
34 HA CYS 6 HA CYS 6 -10.179 -1.470 -2.149
35 1HB CYS 6 2HB CYS 6 -12.170 0.395 -3.461
36 2HB CYS 6 1HB CYS 6 -10.623 0.817 -2.729
37 H SER 7 H SER 7 -10.870 0.144 -0.363
38 HA SER 7 HA SER 7 -13.495 -0.745 0.766
39 1HB SER 7 2HB SER 7 -12.520 -1.103 2.796
40 2HB SER 7 1HB SER 7 -11.037 -1.228 1.856
41 HG SER 7 HG SER 7 -10.880 0.280 3.590
42 H SER 8 H SER 8 -12.866 1.636 -0.947
43 HA SER 8 HA SER 8 -13.773 3.717 0.992
44 1HB SER 8 2HB SER 8 -11.429 3.717 -0.641
45 2HB SER 8 1HB SER 8 -12.512 4.982 -1.211
46 HG SER 8 HG SER 8 -11.567 4.560 1.435
47 HA PRO 9 HA PRO 9 -17.085 3.749 -2.020
48 1HB PRO 9 2HB PRO 9 -18.739 5.361 -0.536
49 2HB PRO 9 1HB PRO 9 -18.548 3.624 -0.244
50 1HG PRO 9 2HG PRO 9 -17.486 5.917 1.333
51 2HG PRO 9 1HG PRO 9 -17.845 4.264 1.859
52 1HD PRO 9 2HD PRO 9 -15.272 5.319 1.274
53 2HD PRO 9 1HD PRO 9 -15.675 3.609 1.533
54 H GLU 10 H GLU 10 -14.801 5.962 -1.642
55 HA GLU 10 HA GLU 10 -16.241 7.990 -3.289
56 1HB GLU 10 2HB GLU 10 -14.467 8.439 -0.886
57 2HB GLU 10 1HB GLU 10 -14.711 9.696 -2.099
58 1HG GLU 10 2HG GLU 10 -17.158 8.352 -1.076
59 2HG GLU 10 1HG GLU 10 -16.320 9.422 0.048
60 H ASN 11 H ASN 11 -14.772 5.983 -4.452
61 HA ASN 11 HA ASN 11 -12.495 7.500 -5.527
62 1HB ASN 11 2HB ASN 11 -11.039 6.256 -4.323
63 2HB ASN 11 1HB ASN 11 -12.302 5.142 -3.821
64 1HD2 ASN 11 1HD2 ASN 11 -11.006 3.241 -4.160
65 2HD2 ASN 11 2HD2 ASN 11 -10.555 2.718 -5.709
66 HA PRO 12 HA PRO 12 -14.339 5.986 -9.231
67 1HB PRO 12 2HB PRO 12 -12.349 6.792 -10.951
68 2HB PRO 12 1HB PRO 12 -13.544 7.891 -10.240
69 1HG PRO 12 2HG PRO 12 -10.665 7.546 -9.544
70 2HG PRO 12 1HG PRO 12 -11.702 8.969 -9.357
71 1HD PRO 12 2HD PRO 12 -10.954 7.189 -7.291
72 2HD PRO 12 1HD PRO 12 -12.249 8.402 -7.205
73 H CYS 13 H CYS 13 -10.858 5.281 -8.798
74 HA CYS 13 HA CYS 13 -10.540 3.184 -10.639
75 1HB CYS 13 2HB CYS 13 -9.420 3.238 -7.827
76 2HB CYS 13 1HB CYS 13 -8.737 2.395 -9.214
77 H CYS 14 H CYS 14 -12.436 3.261 -7.732
78 HA CYS 14 HA CYS 14 -13.019 0.371 -8.220
79 1HB CYS 14 2HB CYS 14 -12.158 1.761 -5.817
80 2HB CYS 14 1HB CYS 14 -13.661 0.887 -5.566
81 H ASP 15 H ASP 15 -15.132 -0.025 -6.661
82 HA ASP 15 HA ASP 15 -17.155 2.052 -7.297
83 1HB ASP 15 2HB ASP 15 -16.850 -0.079 -8.937
84 2HB ASP 15 1HB ASP 15 -17.955 -0.747 -7.745
85 H ALA 16 H ALA 16 -18.635 2.271 -5.646
86 HA ALA 16 HA ALA 16 -18.247 0.615 -3.267
87 1HB ALA 16 1HB ALA 16 -19.144 2.362 -2.112
88 2HB ALA 16 2HB ALA 16 -20.437 2.597 -3.288
89 3HB ALA 16 3HB ALA 16 -18.831 3.256 -3.600
90 H ALA 17 H ALA 17 -20.706 1.120 -5.750
91 HA ALA 17 HA ALA 17 -22.794 -0.356 -4.429
92 1HB ALA 17 1HB ALA 17 -22.946 -0.576 -7.308
93 2HB ALA 17 2HB ALA 17 -22.504 1.067 -6.848
94 3HB ALA 17 3HB ALA 17 -23.979 0.341 -6.212
95 H THR 18 H THR 18 -19.928 -1.339 -6.105
96 HA THR 18 HA THR 18 -20.886 -4.169 -5.940
97 HB THR 18 HB THR 18 -19.927 -4.697 -8.026
98 HG1 THR 18 HG1 THR 18 -18.561 -3.131 -9.083
99 1HG2 THR 18 1HG2 THR 18 -21.206 -3.437 -9.464
100 2HG2 THR 18 2HG2 THR 18 -20.685 -1.909 -8.752
101 3HG2 THR 18 3HG2 THR 18 -21.902 -2.891 -7.938
102 H CYS 19 H CYS 19 -18.735 -1.951 -4.766
103 HA CYS 19 HA CYS 19 -16.581 -2.105 -3.812
104 1HB CYS 19 2HB CYS 19 -18.311 -3.963 -2.643
105 2HB CYS 19 1HB CYS 19 -16.845 -4.855 -2.964
106 H LYS 20 H LYS 20 -15.892 -2.282 -6.238
107 HA LYS 20 HA LYS 20 -13.871 -4.357 -6.383
108 1HB LYS 20 2HB LYS 20 -16.460 -4.755 -7.683
109 2HB LYS 20 1HB LYS 20 -15.088 -4.899 -8.785
110 1HG LYS 20 2HG LYS 20 -14.592 -6.216 -6.231
111 2HG LYS 20 1HG LYS 20 -16.004 -6.876 -7.056
112 1HD LYS 20 2HD LYS 20 -13.652 -6.374 -8.783
113 2HD LYS 20 1HD LYS 20 -13.451 -7.657 -7.588
114 1HE LYS 20 2HE LYS 20 -14.361 -8.584 -9.671
115 2HE LYS 20 1HE LYS 20 -15.556 -8.704 -8.380
116 1HZ LYS 20 1HZ LYS 20 -16.187 -7.734 -10.710
117 2HZ LYS 20 2HZ LYS 20 -15.545 -6.302 -10.059
118 3HZ LYS 20 3HZ LYS 20 -16.845 -7.080 -9.290
119 H LEU 21 H LEU 21 -13.350 -4.317 -9.096
120 HA LEU 21 HA LEU 21 -12.372 -1.557 -9.385
121 1HB LEU 21 2HB LEU 21 -11.673 -4.192 -10.433
122 2HB LEU 21 1HB LEU 21 -11.697 -2.955 -11.686
123 HG LEU 21 HG LEU 21 -10.066 -2.944 -9.140
124 1HD1 LEU 21 1HD1 LEU 21 -8.713 -2.274 -11.588
125 2HD1 LEU 21 2HD1 LEU 21 -9.560 -3.810 -11.765
126 3HD1 LEU 21 3HD1 LEU 21 -8.384 -3.597 -10.469
127 1HD2 LEU 21 1HD2 LEU 21 -10.434 -0.741 -9.131
128 2HD2 LEU 21 2HD2 LEU 21 -11.068 -0.740 -10.774
129 3HD2 LEU 21 3HD2 LEU 21 -9.326 -0.718 -10.500
130 H ARG 22 H ARG 22 -12.954 -0.170 -11.037
131 HA ARG 22 HA ARG 22 -15.504 -0.734 -12.360
132 1HB ARG 22 2HB ARG 22 -15.070 1.565 -11.660
133 2HB ARG 22 1HB ARG 22 -13.563 1.595 -12.579
134 1HG ARG 22 2HG ARG 22 -14.635 1.847 -14.590
135 2HG ARG 22 1HG ARG 22 -16.017 0.870 -14.093
136 1HD ARG 22 2HD ARG 22 -16.059 3.130 -12.415
137 2HD ARG 22 1HD ARG 22 -15.708 3.749 -14.030
138 HE ARG 22 HE ARG 22 -17.834 2.884 -14.782
139 1HH1 ARG 22 1HH1 ARG 22 -17.900 0.420 -13.046
140 2HH1 ARG 22 2HH1 ARG 22 -19.172 0.805 -11.935
141 1HH2 ARG 22 1HH2 ARG 22 -19.147 4.193 -12.669
142 2HH2 ARG 22 2HH2 ARG 22 -19.877 2.942 -11.720
143 HA PRO 23 HA PRO 23 -13.426 -2.832 -15.681
144 1HB PRO 23 2HB PRO 23 -15.571 -2.760 -17.434
145 2HB PRO 23 1HB PRO 23 -15.374 -3.952 -16.136
146 1HG PRO 23 2HG PRO 23 -17.086 -1.475 -16.179
147 2HG PRO 23 1HG PRO 23 -17.421 -3.056 -15.445
148 1HD PRO 23 2HD PRO 23 -16.583 -0.907 -13.945
149 2HD PRO 23 1HD PRO 23 -16.188 -2.581 -13.523
150 H GLY 24 H GLY 24 -11.989 -1.028 -15.961
151 1HA GLY 24 2HA GLY 24 -11.969 0.121 -18.550
152 2HA GLY 24 1HA GLY 24 -12.556 1.346 -17.420
153 H ALA 25 H ALA 25 -11.017 0.329 -15.174
154 HA ALA 25 HA ALA 25 -8.381 1.433 -15.902
155 1HB ALA 25 1HB ALA 25 -9.653 0.886 -13.209
156 2HB ALA 25 2HB ALA 25 -9.535 2.458 -13.999
157 3HB ALA 25 3HB ALA 25 -8.076 1.637 -13.447
158 H GLN 26 H GLN 26 -6.903 0.248 -13.788
159 HA GLN 26 HA GLN 26 -7.023 -2.656 -14.447
160 1HB GLN 26 2HB GLN 26 -5.020 -0.816 -15.276
161 2HB GLN 26 1HB GLN 26 -4.299 -1.863 -14.055
162 1HG GLN 26 2HG GLN 26 -4.363 -3.677 -15.415
163 2HG GLN 26 1HG GLN 26 -5.990 -3.297 -15.979
164 1HE2 GLN 26 1HE2 GLN 26 -5.723 -3.326 -18.252
165 2HE2 GLN 26 2HE2 GLN 26 -4.595 -2.368 -19.083
166 H CYS 27 H CYS 27 -7.118 -0.394 -12.052
167 HA CYS 27 HA CYS 27 -6.820 -2.353 -9.980
168 1HB CYS 27 2HB CYS 27 -4.868 -1.274 -8.828
169 2HB CYS 27 1HB CYS 27 -4.441 -2.080 -10.337
170 H GLY 28 H GLY 28 -8.067 -1.695 -8.321
171 1HA GLY 28 2HA GLY 28 -9.362 0.890 -8.454
172 2HA GLY 28 1HA GLY 28 -9.612 -0.325 -7.215
173 H GLU 29 H GLU 29 -6.615 -0.385 -6.702
174 HA GLU 29 HA GLU 29 -5.731 2.200 -5.893
175 1HB GLU 29 2HB GLU 29 -7.726 2.099 -4.427
176 2HB GLU 29 1HB GLU 29 -7.110 0.611 -3.709
177 1HG GLU 29 2HG GLU 29 -5.849 1.801 -2.291
178 2HG GLU 29 1HG GLU 29 -5.035 2.578 -3.650
179 H GLY 30 H GLY 30 -3.656 2.074 -4.925
180 1HA GLY 30 2HA GLY 30 -2.601 -0.251 -3.660
181 2HA GLY 30 1HA GLY 30 -2.158 -0.288 -5.365
182 H LEU 31 H LEU 31 -0.107 -0.122 -3.594
183 HA LEU 31 HA LEU 31 0.648 2.602 -2.941
184 1HB LEU 31 2HB LEU 31 1.621 -0.024 -2.434
185 2HB LEU 31 1HB LEU 31 2.930 0.924 -3.122
186 HG LEU 31 HG LEU 31 2.687 1.019 -0.585
187 1HD1 LEU 31 1HD1 LEU 31 3.753 2.765 -2.244
188 2HD1 LEU 31 2HD1 LEU 31 3.514 3.201 -0.551
189 3HD1 LEU 31 3HD1 LEU 31 2.373 3.759 -1.775
190 1HD2 LEU 31 1HD2 LEU 31 0.086 1.310 -0.942
191 2HD2 LEU 31 2HD2 LEU 31 0.503 3.018 -1.091
192 3HD2 LEU 31 3HD2 LEU 31 0.889 2.142 0.390
193 H CYS 32 H CYS 32 0.558 0.904 -5.839
194 HA CYS 32 HA CYS 32 2.312 2.929 -7.105
195 1HB CYS 32 2HB CYS 32 2.611 -0.023 -7.707
196 2HB CYS 32 1HB CYS 32 3.630 1.299 -8.277
197 H CYS 33 H CYS 33 -0.200 3.331 -7.489
198 HA CYS 33 HA CYS 33 -0.740 2.255 -10.198
199 1HB CYS 33 2HB CYS 33 -2.232 1.566 -7.811
200 2HB CYS 33 1HB CYS 33 -3.267 2.402 -8.971
201 H GLU 34 H GLU 34 -0.862 4.053 -11.423
202 HA GLU 34 HA GLU 34 -1.286 6.684 -10.447
203 1HB GLU 34 2HB GLU 34 -0.470 5.675 -12.805
204 2HB GLU 34 1HB GLU 34 -2.132 6.079 -13.216
205 1HG GLU 34 2HG GLU 34 -1.145 8.117 -13.666
206 2HG GLU 34 1HG GLU 34 -1.505 8.347 -11.954
207 H GLN 35 H GLN 35 -3.325 7.822 -11.993
208 HA GLN 35 HA GLN 35 -5.612 7.376 -10.385
209 1HB GLN 35 2HB GLN 35 -5.378 8.529 -13.179
210 2HB GLN 35 1HB GLN 35 -6.852 8.589 -12.212
211 1HG GLN 35 2HG GLN 35 -5.942 10.072 -10.664
212 2HG GLN 35 1HG GLN 35 -4.283 9.582 -11.019
213 1HE2 GLN 35 1HE2 GLN 35 -3.177 11.190 -12.129
214 2HE2 GLN 35 2HE2 GLN 35 -3.865 12.247 -13.265
215 H CYS 36 H CYS 36 -5.995 5.098 -10.316
216 HA CYS 36 HA CYS 36 -7.022 3.110 -11.012
217 1HB CYS 36 2HB CYS 36 -8.195 4.736 -13.274
218 2HB CYS 36 1HB CYS 36 -8.888 3.324 -12.473
219 H LYS 37 H LYS 37 -4.423 3.248 -11.832
220 HA LYS 37 HA LYS 37 -4.495 1.683 -14.306
221 1HB LYS 37 2HB LYS 37 -3.708 4.523 -14.306
222 2HB LYS 37 1HB LYS 37 -2.509 3.449 -15.026
223 1HG LYS 37 2HG LYS 37 -5.421 3.209 -15.759
224 2HG LYS 37 1HG LYS 37 -4.385 4.390 -16.559
225 1HD LYS 37 2HD LYS 37 -2.840 2.613 -17.243
226 2HD LYS 37 1HD LYS 37 -3.820 1.415 -16.394
227 1HE LYS 37 2HE LYS 37 -5.681 1.769 -17.877
228 2HE LYS 37 1HE LYS 37 -4.902 3.170 -18.612
229 1HZ LYS 37 1HZ LYS 37 -3.136 1.022 -18.800
230 2HZ LYS 37 2HZ LYS 37 -3.951 1.819 -20.060
231 3HZ LYS 37 3HZ LYS 37 -4.652 0.463 -19.315
232 H PHE 38 H PHE 38 -2.820 0.214 -14.288
233 HA PHE 38 HA PHE 38 -1.185 -0.108 -11.971
234 1HB PHE 38 2HB PHE 38 -1.163 -1.264 -14.740
235 2HB PHE 38 1HB PHE 38 0.215 -1.553 -13.684
236 HD1 PHE 38 HD1 PHE 38 -2.565 -3.118 -14.792
237 HD2 PHE 38 HD2 PHE 38 -0.816 -1.924 -11.055
238 HE1 PHE 38 HE1 PHE 38 -3.816 -4.918 -13.632
239 HE2 PHE 38 HE2 PHE 38 -2.069 -3.723 -9.894
240 HZ PHE 38 HZ PHE 38 -3.568 -5.219 -11.184
241 H SER 39 H SER 39 0.395 1.367 -11.385
242 HA SER 39 HA SER 39 1.632 3.212 -13.139
243 1HB SER 39 2HB SER 39 2.219 2.184 -10.437
244 2HB SER 39 1HB SER 39 3.595 2.847 -11.299
245 HG SER 39 HG SER 39 2.533 4.489 -10.187
246 H ARG 40 H ARG 40 4.226 3.043 -13.435
247 HA ARG 40 HA ARG 40 4.630 0.470 -14.826
248 1HB ARG 40 2HB ARG 40 6.312 1.572 -16.130
249 2HB ARG 40 1HB ARG 40 4.952 2.691 -16.031
250 1HG ARG 40 2HG ARG 40 6.035 3.958 -14.278
251 2HG ARG 40 1HG ARG 40 7.328 2.765 -14.151
252 1HD ARG 40 2HD ARG 40 8.170 3.315 -16.327
253 2HD ARG 40 1HD ARG 40 6.747 4.288 -16.701
254 HE ARG 40 HE ARG 40 7.561 5.974 -15.118
255 1HH1 ARG 40 1HH2 ARG 40 9.254 3.846 -13.605
256 2HH1 ARG 40 2HH2 ARG 40 10.849 4.404 -13.985
257 1HH2 ARG 40 1HH1 ARG 40 9.795 6.479 -16.557
258 2HH2 ARG 40 2HH1 ARG 40 11.155 5.894 -15.657
259 H ALA 41 H ALA 41 6.720 -0.647 -14.532
260 HA ALA 41 HA ALA 41 7.464 -1.002 -11.842
261 1HB ALA 41 1HB ALA 41 8.068 -2.476 -13.849
262 2HB ALA 41 2HB ALA 41 9.333 -2.259 -12.639
263 3HB ALA 41 3HB ALA 41 9.391 -1.348 -14.148
264 H GLY 42 H GLY 42 10.025 -0.590 -11.270
265 1HA GLY 42 2HA GLY 42 11.531 1.091 -10.617
266 2HA GLY 42 1HA GLY 42 11.145 1.886 -12.138
267 H LYS 43 H LYS 43 8.645 1.039 -9.841
268 HA LYS 43 HA LYS 43 8.100 3.933 -9.495
269 1HB LYS 43 2HB LYS 43 6.225 2.654 -10.342
270 2HB LYS 43 1HB LYS 43 6.393 1.483 -9.039
271 1HG LYS 43 2HG LYS 43 4.700 2.809 -8.175
272 2HG LYS 43 1HG LYS 43 6.103 3.628 -7.513
273 1HD LYS 43 2HD LYS 43 6.084 5.100 -9.591
274 2HD LYS 43 1HD LYS 43 4.503 4.408 -9.956
275 1HE LYS 43 2HE LYS 43 3.757 6.169 -8.700
276 2HE LYS 43 1HE LYS 43 4.124 5.085 -7.359
277 1HZ LYS 43 1HZ LYS 43 5.917 6.278 -6.769
278 2HZ LYS 43 2HZ LYS 43 5.134 7.536 -7.599
279 3HZ LYS 43 3HZ LYS 43 6.356 6.639 -8.367
280 H ILE 44 H ILE 44 8.497 4.887 -7.536
281 HA ILE 44 HA ILE 44 9.550 3.226 -5.392
282 HB ILE 44 HB ILE 44 9.493 6.064 -6.057
283 1HG1 ILE 44 2HG1 ILE 44 11.485 4.569 -6.027
284 2HG1 ILE 44 1HG1 ILE 44 11.678 5.972 -4.975
285 1HG2 ILE 44 1HG2 ILE 44 9.906 6.604 -3.531
286 2HG2 ILE 44 2HG2 ILE 44 8.935 5.161 -3.243
287 3HG2 ILE 44 3HG2 ILE 44 8.247 6.527 -4.122
288 1HD1 ILE 44 1HD1 ILE 44 10.426 3.623 -3.692
289 2HD1 ILE 44 2HD1 ILE 44 11.667 4.715 -3.075
290 3HD1 ILE 44 3HD1 ILE 44 12.110 3.401 -4.165
291 H CYS 45 H CYS 45 8.136 2.061 -4.219
292 HA CYS 45 HA CYS 45 5.419 3.080 -3.667
293 1HB CYS 45 2HB CYS 45 5.047 0.896 -2.643
294 2HB CYS 45 1HB CYS 45 5.821 0.675 -4.209
295 H ARG 46 H ARG 46 8.516 3.081 -2.229
296 HA ARG 46 HA ARG 46 7.651 4.621 0.041
297 1HB ARG 46 2HB ARG 46 7.401 1.802 0.327
298 2HB ARG 46 1HB ARG 46 8.783 2.299 1.302
299 1HG ARG 46 2HG ARG 46 7.461 3.882 2.526
300 2HG ARG 46 1HG ARG 46 6.106 3.706 1.409
301 1HD ARG 46 2HD ARG 46 5.309 1.963 2.587
302 2HD ARG 46 1HD ARG 46 6.846 1.116 2.428
303 HE ARG 46 HE ARG 46 7.582 2.225 4.507
304 1HH1 ARG 46 1HH1 ARG 46 5.756 4.562 4.540
305 2HH1 ARG 46 2HH1 ARG 46 4.566 4.097 5.711
306 1HH2 ARG 46 1HH2 ARG 46 5.410 0.735 5.624
307 2HH2 ARG 46 2HH2 ARG 46 4.371 1.931 6.324
308 H ILE 47 H ILE 47 9.409 5.969 0.021
309 HA ILE 47 HA ILE 47 12.026 5.160 -0.851
310 HB ILE 47 HB ILE 47 11.402 7.488 -0.980
311 1HG1 ILE 47 2HG1 ILE 47 13.808 6.711 -0.255
312 2HG1 ILE 47 1HG1 ILE 47 13.403 8.423 -0.212
313 1HG2 ILE 47 1HG2 ILE 47 10.787 7.094 1.929
314 2HG2 ILE 47 2HG2 ILE 47 9.835 7.902 0.684
315 3HG2 ILE 47 3HG2 ILE 47 11.254 8.698 1.365
316 1HD1 ILE 47 1HD1 ILE 47 13.628 8.523 2.036
317 2HD1 ILE 47 2HD1 ILE 47 14.421 6.953 1.908
318 3HD1 ILE 47 3HD1 ILE 47 12.700 7.043 2.275
319 H ALA 48 H ALA 48 13.962 4.976 0.495
320 HA ALA 48 HA ALA 48 13.729 3.212 2.668
321 1HB ALA 48 1HB ALA 48 15.896 5.073 1.746
322 2HB ALA 48 2HB ALA 48 15.889 3.311 1.806
323 3HB ALA 48 3HB ALA 48 16.076 4.244 3.291
324 H ARG 49 H ARG 49 12.614 3.636 4.524
325 HA ARG 49 HA ARG 49 12.071 6.222 5.552
326 1HB ARG 49 2HB ARG 49 12.245 3.693 7.152
327 2HB ARG 49 1HB ARG 49 11.307 5.125 7.549
328 1HG ARG 49 2HG ARG 49 9.624 4.557 6.134
329 2HG ARG 49 1HG ARG 49 10.740 4.014 4.882
330 1HD ARG 49 2HD ARG 49 9.773 1.993 5.499
331 2HD ARG 49 1HD ARG 49 11.174 2.026 6.571
332 HE ARG 49 HE ARG 49 8.769 3.241 7.720
333 1HH1 ARG 49 1HH1 ARG 49 10.370 0.277 7.008
334 2HH1 ARG 49 2HH1 ARG 49 9.850 -0.509 8.461
335 1HH2 ARG 49 1HH2 ARG 49 8.192 2.277 9.692
336 2HH2 ARG 49 2HH2 ARG 49 8.616 0.623 9.981
337 H GLY 50 H GLY 50 14.060 3.896 7.284
338 1HA GLY 50 2HA GLY 50 15.568 5.985 8.584
339 2HA GLY 50 1HA GLY 50 15.915 4.260 8.683
340 H ASP 51 H ASP 51 16.480 3.480 6.198
341 HA ASP 51 HA ASP 51 17.831 5.026 4.361
342 1HB ASP 51 2HB ASP 51 19.222 5.054 6.876
343 2HB ASP 51 1HB ASP 51 20.210 4.266 5.648
344 H TRP 52 H TRP 52 17.736 3.451 2.823
345 HA TRP 52 HA TRP 52 19.514 1.223 2.840
346 1HB TRP 52 2HB TRP 52 17.143 -0.282 2.715
347 2HB TRP 52 1HB TRP 52 18.360 -0.339 3.985
348 HD1 TRP 52 HD1 TRP 52 15.447 2.063 3.120
349 HE1 TRP 52 HE1 TRP 52 14.170 2.587 5.297
350 HE3 TRP 52 HE3 TRP 52 18.207 -0.655 6.400
351 HZ2 TRP 52 HZ2 TRP 52 14.316 1.928 8.084
352 HZ3 TRP 52 HZ3 TRP 52 17.635 -0.700 8.814
353 HH2 TRP 52 HH2 TRP 52 15.692 0.591 9.660
354 H ASN 53 H ASN 53 18.141 -0.528 1.133
355 HA ASN 53 HA ASN 53 18.330 0.834 -1.363
356 1HB ASN 53 2HB ASN 53 17.813 -1.834 -0.463
357 2HB ASN 53 1HB ASN 53 16.585 -1.405 -1.655
358 1HD2 ASN 53 1HD2 ASN 53 20.030 -0.379 -1.436
359 2HD2 ASN 53 2HD2 ASN 53 20.457 -0.964 -2.970
360 H ASP 54 H ASP 54 16.671 1.554 -2.798
361 HA ASP 54 HA ASP 54 14.309 2.613 -1.436
362 1HB ASP 54 2HB ASP 54 14.596 2.762 -4.384
363 2HB ASP 54 1HB ASP 54 14.052 3.994 -3.255
364 H ASP 55 H ASP 55 12.175 1.968 -1.783
365 HA ASP 55 HA ASP 55 11.810 -0.764 -2.745
366 1HB ASP 55 2HB ASP 55 9.614 1.131 -2.010
367 2HB ASP 55 1HB ASP 55 9.633 -0.619 -1.856
368 H ARG 56 H ARG 56 11.026 -1.354 -4.737
369 HA ARG 56 HA ARG 56 10.067 0.829 -6.546
370 1HB ARG 56 2HB ARG 56 12.360 -0.757 -6.823
371 2HB ARG 56 1HB ARG 56 11.180 -1.488 -7.908
372 1HG ARG 56 2HG ARG 56 12.250 0.171 -9.212
373 2HG ARG 56 1HG ARG 56 10.712 0.893 -8.740
374 1HD ARG 56 2HD ARG 56 12.891 2.302 -8.470
375 2HD ARG 56 1HD ARG 56 11.716 2.301 -7.156
376 HE ARG 56 HE ARG 56 13.234 0.994 -5.849
377 1HH1 ARG 56 1HH2 ARG 56 13.999 -0.354 -8.673
378 2HH1 ARG 56 2HH2 ARG 56 15.717 -0.141 -8.587
379 1HH2 ARG 56 1HH1 ARG 56 15.575 2.057 -5.910
380 2HH2 ARG 56 2HH1 ARG 56 16.607 1.224 -7.024
381 H CYS 57 H CYS 57 8.461 0.150 -8.102
382 HA CYS 57 HA CYS 57 6.996 -2.310 -7.252
383 1HB CYS 57 2HB CYS 57 5.717 -0.191 -8.942
384 2HB CYS 57 1HB CYS 57 4.980 -1.274 -7.771
385 H THR 58 H THR 58 5.854 -3.385 -9.127
386 HA THR 58 HA THR 58 7.749 -3.669 -11.348
387 HB THR 58 HB THR 58 6.456 -5.585 -11.968
388 HG1 THR 58 HG1 THR 58 4.477 -4.211 -10.560
389 1HG2 THR 58 1HG2 THR 58 7.756 -5.872 -9.903
390 2HG2 THR 58 2HG2 THR 58 6.266 -6.813 -9.828
391 3HG2 THR 58 3HG2 THR 58 6.391 -5.288 -8.951
392 H GLY 59 H GLY 59 6.205 -4.152 -13.531
393 1HA GLY 59 2HA GLY 59 5.061 -1.461 -14.063
394 2HA GLY 59 1HA GLY 59 5.584 -2.610 -15.294
395 H GLN 60 H GLN 60 3.793 -4.032 -12.750
396 HA GLN 60 HA GLN 60 1.166 -3.594 -13.981
397 1HB GLN 60 2HB GLN 60 0.824 -6.053 -14.400
398 2HB GLN 60 1HB GLN 60 2.002 -5.305 -15.479
399 1HG GLN 60 2HG GLN 60 3.804 -6.062 -13.855
400 2HG GLN 60 1HG GLN 60 2.560 -7.012 -13.043
401 1HE2 GLN 60 1HE2 GLN 60 3.267 -6.431 -16.541
402 2HE2 GLN 60 2HE2 GLN 60 3.329 -8.078 -16.947
403 H SER 61 H SER 61 2.713 -3.538 -11.309
404 HA SER 61 HA SER 61 0.794 -5.247 -9.771
405 1HB SER 61 2HB SER 61 3.170 -5.855 -9.436
406 2HB SER 61 1HB SER 61 3.518 -4.203 -8.934
407 HG SER 61 HG SER 61 2.846 -6.083 -7.364
408 H ALA 62 H ALA 62 -0.226 -4.278 -7.924
409 HA ALA 62 HA ALA 62 -0.199 -1.291 -8.004
410 1HB ALA 62 1HB ALA 62 -2.346 -3.026 -6.770
411 2HB ALA 62 2HB ALA 62 -2.374 -2.554 -8.469
412 3HB ALA 62 3HB ALA 62 -2.449 -1.322 -7.210
413 H ASP 63 H ASP 63 0.227 -4.097 -5.940
414 HA ASP 63 HA ASP 63 0.400 -2.396 -3.529
415 1HB ASP 63 2HB ASP 63 0.271 -5.297 -4.076
416 2HB ASP 63 1HB ASP 63 1.200 -4.817 -2.661
417 H CYS 64 H CYS 64 2.411 -2.999 -2.090
418 HA CYS 64 HA CYS 64 4.819 -3.009 -3.855
419 1HB CYS 64 2HB CYS 64 4.686 -0.803 -3.090
420 2HB CYS 64 1HB CYS 64 4.142 -1.272 -1.488
421 HA PRO 65 HA PRO 65 5.432 -6.525 -1.188
422 1HB PRO 65 2HB PRO 65 6.989 -7.805 -3.044
423 2HB PRO 65 1HB PRO 65 5.226 -7.887 -3.033
424 1HG PRO 65 2HG PRO 65 7.040 -6.441 -4.882
425 2HG PRO 65 1HG PRO 65 5.360 -6.949 -5.130
426 1HD PRO 65 2HD PRO 65 6.277 -4.327 -4.491
427 2HD PRO 65 1HD PRO 65 4.591 -4.876 -4.551
428 H ARG 66 H ARG 66 7.043 -6.483 0.350
429 HA ARG 66 HA ARG 66 9.827 -6.422 -0.265
430 1HB ARG 66 2HB ARG 66 9.055 -3.992 -0.744
431 2HB ARG 66 1HB ARG 66 8.923 -3.843 1.009
432 1HG ARG 66 2HG ARG 66 11.159 -3.666 1.237
433 2HG ARG 66 1HG ARG 66 11.428 -5.108 0.256
434 1HD ARG 66 2HD ARG 66 10.578 -3.129 -1.555
435 2HD ARG 66 1HD ARG 66 11.723 -2.322 -0.483
436 HE ARG 66 HE ARG 66 12.890 -4.788 -1.216
437 1HH1 ARG 66 1HH2 ARG 66 11.400 -3.749 -3.758
438 2HH1 ARG 66 2HH2 ARG 66 12.716 -2.969 -4.571
439 1HH2 ARG 66 1HH1 ARG 66 14.781 -2.961 -1.787
440 2HH2 ARG 66 2HH1 ARG 66 14.628 -2.523 -3.456
441 H TYR 67 H TYR 67 11.085 -6.767 1.633
442 HA TYR 67 HA TYR 67 9.698 -7.942 3.835
443 1HB TYR 67 2HB TYR 67 12.050 -7.724 4.942
444 2HB TYR 67 1HB TYR 67 11.878 -8.760 3.526
445 HD1 TYR 67 HD1 TYR 67 12.968 -5.401 4.683
446 HD2 TYR 67 HD2 TYR 67 12.968 -8.241 1.460
447 HE1 TYR 67 HE1 TYR 67 14.654 -4.035 3.480
448 HE2 TYR 67 HE2 TYR 67 14.652 -6.874 0.258
449 HH TYR 67 HH TYR 67 15.780 -4.952 0.229
450 H HIS 68 HN HIS 68 11.215 -4.754 3.406
451 HA HIS 68 HA HIS 68 10.303 -3.973 6.121
452 1HB HIS 68 2HB HIS 68 12.262 -2.905 4.142
453 2HB HIS 68 1HB HIS 68 11.471 -1.737 5.199
454 HD1 HIS 68 HD1 HIS 68 11.300 -3.144 7.832
455 HD2 HIS 68 HD2 HIS 68 14.660 -3.481 5.388
456 HE1 HIS 68 HE1 HIS 68 13.214 -3.836 9.338
Start of MODEL 10
1 1H GLY 1 1HT GLY 1 -8.886 -12.490 -7.276
2 2H GLY 1 2HT GLY 1 -10.260 -12.552 -6.279
3 3H GLY 1 3HT GLY 1 -9.327 -13.949 -6.533
4 1HA GLY 1 1HA GLY 1 -7.867 -13.427 -4.952
5 2HA GLY 1 2HA GLY 1 -7.798 -11.750 -5.495
6 H LYS 2 H LYS 2 -8.613 -10.313 -4.055
7 HA LYS 2 HA LYS 2 -10.276 -11.287 -1.830
8 1HB LYS 2 2HB LYS 2 -8.926 -8.675 -2.487
9 2HB LYS 2 1HB LYS 2 -10.127 -8.770 -1.199
10 1HG LYS 2 2HG LYS 2 -8.557 -10.955 -0.654
11 2HG LYS 2 1HG LYS 2 -7.369 -9.806 -1.272
12 1HD LYS 2 2HD LYS 2 -7.374 -9.030 0.873
13 2HD LYS 2 1HD LYS 2 -8.832 -8.183 0.353
14 1HE LYS 2 2HE LYS 2 -10.191 -9.504 1.605
15 2HE LYS 2 1HE LYS 2 -9.299 -10.968 1.189
16 1HZ LYS 2 1HZ LYS 2 -7.500 -9.920 2.709
17 2HZ LYS 2 2HZ LYS 2 -8.818 -10.738 3.404
18 3HZ LYS 2 3HZ LYS 2 -8.799 -9.040 3.350
19 H GLU 3 H GLU 3 -11.963 -9.206 -1.297
20 HA GLU 3 HA GLU 3 -13.623 -8.959 -3.765
21 1HB GLU 3 2HB GLU 3 -14.320 -10.009 -1.090
22 2HB GLU 3 1HB GLU 3 -15.529 -9.000 -1.876
23 1HG GLU 3 2HG GLU 3 -15.370 -10.437 -3.900
24 2HG GLU 3 1HG GLU 3 -14.223 -11.474 -3.049
25 H CYS 4 H CYS 4 -12.002 -6.903 -3.270
26 HA CYS 4 HA CYS 4 -13.733 -4.664 -2.821
27 1HB CYS 4 2HB CYS 4 -12.170 -5.685 -0.502
28 2HB CYS 4 1HB CYS 4 -12.159 -3.951 -0.752
29 H ASP 5 H ASP 5 -12.335 -4.760 -4.940
30 HA ASP 5 HA ASP 5 -9.610 -4.364 -5.116
31 1HB ASP 5 2HB ASP 5 -11.160 -4.353 -7.060
32 2HB ASP 5 1HB ASP 5 -11.664 -2.721 -6.617
33 H CYS 6 H CYS 6 -11.996 -2.001 -3.988
34 HA CYS 6 HA CYS 6 -9.693 -0.259 -3.199
35 1HB CYS 6 2HB CYS 6 -10.846 1.688 -3.842
36 2HB CYS 6 1HB CYS 6 -11.230 0.556 -5.135
37 H SER 7 H SER 7 -10.511 1.380 -1.423
38 HA SER 7 HA SER 7 -12.118 -0.197 0.543
39 1HB SER 7 2HB SER 7 -10.496 0.191 2.060
40 2HB SER 7 1HB SER 7 -9.521 0.874 0.764
41 HG SER 7 HG SER 7 -9.845 2.767 1.599
42 H SER 8 H SER 8 -12.016 2.644 -1.338
43 HA SER 8 HA SER 8 -13.910 4.056 0.466
44 1HB SER 8 2HB SER 8 -11.826 4.929 -1.247
45 2HB SER 8 1HB SER 8 -13.339 5.533 -1.912
46 HG SER 8 HG SER 8 -13.816 6.337 0.195
47 HA PRO 9 HA PRO 9 -17.105 2.587 -2.284
48 1HB PRO 9 2HB PRO 9 -19.181 3.712 -0.880
49 2HB PRO 9 1HB PRO 9 -18.382 2.205 -0.402
50 1HG PRO 9 2HG PRO 9 -18.145 4.919 0.807
51 2HG PRO 9 1HG PRO 9 -17.898 3.332 1.555
52 1HD PRO 9 2HD PRO 9 -15.860 5.098 0.682
53 2HD PRO 9 1HD PRO 9 -15.645 3.396 1.141
54 H GLU 10 H GLU 10 -15.848 5.606 -2.074
55 HA GLU 10 HA GLU 10 -17.965 6.794 -3.825
56 1HB GLU 10 2HB GLU 10 -16.276 7.921 -1.656
57 2HB GLU 10 1HB GLU 10 -16.507 8.947 -3.072
58 1HG GLU 10 2HG GLU 10 -18.780 9.155 -2.727
59 2HG GLU 10 1HG GLU 10 -18.911 7.578 -1.947
60 H ASN 11 H ASN 11 -14.861 5.506 -3.775
61 HA ASN 11 HA ASN 11 -13.472 7.217 -5.577
62 1HB ASN 11 2HB ASN 11 -12.922 4.847 -4.226
63 2HB ASN 11 1HB ASN 11 -12.859 4.385 -5.925
64 1HD2 ASN 11 1HD2 ASN 11 -10.435 4.160 -5.437
65 2HD2 ASN 11 2HD2 ASN 11 -9.474 5.556 -5.544
66 HA PRO 12 HA PRO 12 -15.767 6.304 -9.256
67 1HB PRO 12 2HB PRO 12 -14.101 7.634 -10.991
68 2HB PRO 12 1HB PRO 12 -15.260 8.448 -9.925
69 1HG PRO 12 2HG PRO 12 -12.295 8.273 -9.681
70 2HG PRO 12 1HG PRO 12 -13.403 9.506 -9.057
71 1HD PRO 12 2HD PRO 12 -12.226 7.402 -7.558
72 2HD PRO 12 1HD PRO 12 -13.548 8.463 -7.024
73 H CYS 13 H CYS 13 -12.963 4.831 -8.362
74 HA CYS 13 HA CYS 13 -12.636 3.447 -10.996
75 1HB CYS 13 2HB CYS 13 -10.696 4.710 -9.498
76 2HB CYS 13 1HB CYS 13 -10.524 3.017 -9.042
77 H CYS 14 H CYS 14 -14.403 2.946 -8.432
78 HA CYS 14 HA CYS 14 -14.075 0.062 -8.662
79 1HB CYS 14 2HB CYS 14 -13.562 -0.404 -6.355
80 2HB CYS 14 1HB CYS 14 -12.363 0.748 -6.946
81 H ASP 15 H ASP 15 -16.058 -0.788 -8.639
82 HA ASP 15 HA ASP 15 -18.415 0.699 -8.074
83 1HB ASP 15 2HB ASP 15 -17.961 -1.582 -9.374
84 2HB ASP 15 1HB ASP 15 -18.433 -2.253 -7.821
85 H ALA 16 H ALA 16 -19.433 1.101 -6.142
86 HA ALA 16 HA ALA 16 -18.204 0.103 -3.693
87 1HB ALA 16 1HB ALA 16 -20.594 1.905 -4.154
88 2HB ALA 16 2HB ALA 16 -18.954 2.420 -3.762
89 3HB ALA 16 3HB ALA 16 -19.909 1.538 -2.570
90 H ALA 17 H ALA 17 -20.733 -0.911 -5.750
91 HA ALA 17 HA ALA 17 -22.236 -2.267 -3.602
92 1HB ALA 17 1HB ALA 17 -22.575 -2.241 -6.615
93 2HB ALA 17 2HB ALA 17 -23.529 -1.339 -5.438
94 3HB ALA 17 3HB ALA 17 -23.643 -3.098 -5.503
95 H THR 18 H THR 18 -19.645 -2.957 -5.772
96 HA THR 18 HA THR 18 -19.860 -5.852 -5.039
97 HB THR 18 HB THR 18 -18.732 -6.359 -7.193
98 HG1 THR 18 HG1 THR 18 -17.672 -4.563 -7.739
99 1HG2 THR 18 1HG2 THR 18 -20.763 -5.143 -8.577
100 2HG2 THR 18 2HG2 THR 18 -21.392 -5.130 -6.930
101 3HG2 THR 18 3HG2 THR 18 -20.926 -6.655 -7.683
102 H CYS 19 H CYS 19 -18.236 -3.158 -4.297
103 HA CYS 19 HA CYS 19 -16.019 -2.662 -3.662
104 1HB CYS 19 2HB CYS 19 -16.992 -4.847 -2.231
105 2HB CYS 19 1HB CYS 19 -15.396 -5.332 -2.749
106 H LYS 20 H LYS 20 -15.534 -2.674 -6.079
107 HA LYS 20 HA LYS 20 -13.085 -4.133 -6.524
108 1HB LYS 20 2HB LYS 20 -15.624 -5.235 -7.544
109 2HB LYS 20 1HB LYS 20 -14.341 -5.098 -8.750
110 1HG LYS 20 2HG LYS 20 -13.173 -6.099 -6.354
111 2HG LYS 20 1HG LYS 20 -14.629 -7.043 -6.670
112 1HD LYS 20 2HD LYS 20 -13.810 -7.293 -9.065
113 2HD LYS 20 1HD LYS 20 -12.277 -6.609 -8.524
114 1HE LYS 20 2HE LYS 20 -11.972 -8.409 -6.926
115 2HE LYS 20 1HE LYS 20 -13.577 -9.048 -7.281
116 1HZ LYS 20 1HZ LYS 20 -12.634 -10.262 -8.857
117 2HZ LYS 20 2HZ LYS 20 -11.135 -9.491 -8.650
118 3HZ LYS 20 3HZ LYS 20 -12.290 -8.837 -9.709
119 H LEU 21 H LEU 21 -12.733 -3.851 -9.206
120 HA LEU 21 HA LEU 21 -12.762 -0.958 -9.504
121 1HB LEU 21 2HB LEU 21 -11.781 -3.257 -11.162
122 2HB LEU 21 1HB LEU 21 -11.934 -1.662 -11.902
123 HG LEU 21 HG LEU 21 -10.529 -1.997 -9.267
124 1HD1 LEU 21 1HD1 LEU 21 -8.686 -2.902 -10.208
125 2HD1 LEU 21 2HD1 LEU 21 -8.769 -1.802 -11.583
126 3HD1 LEU 21 3HD1 LEU 21 -9.710 -3.293 -11.590
127 1HD2 LEU 21 1HD2 LEU 21 -10.233 0.207 -9.514
128 2HD2 LEU 21 2HD2 LEU 21 -11.138 0.156 -11.027
129 3HD2 LEU 21 3HD2 LEU 21 -9.390 -0.074 -11.037
130 H ARG 22 H ARG 22 -14.272 0.262 -10.499
131 HA ARG 22 HA ARG 22 -16.655 -1.036 -11.593
132 1HB ARG 22 2HB ARG 22 -16.058 1.479 -10.447
133 2HB ARG 22 1HB ARG 22 -16.563 1.804 -12.105
134 1HG ARG 22 2HG ARG 22 -18.202 -0.211 -10.709
135 2HG ARG 22 1HG ARG 22 -18.292 1.411 -10.018
136 1HD ARG 22 2HD ARG 22 -18.405 1.882 -12.748
137 2HD ARG 22 1HD ARG 22 -19.355 0.411 -12.554
138 HE ARG 22 HE ARG 22 -21.014 1.735 -11.545
139 1HH1 ARG 22 1HH1 ARG 22 -17.895 3.189 -11.260
140 2HH1 ARG 22 2HH1 ARG 22 -18.491 4.626 -10.503
141 1HH2 ARG 22 1HH2 ARG 22 -21.804 3.615 -10.564
142 2HH2 ARG 22 2HH2 ARG 22 -20.698 4.869 -10.110
143 HA PRO 23 HA PRO 23 -15.060 0.955 -15.627
144 1HB PRO 23 2HB PRO 23 -12.645 2.260 -15.553
145 2HB PRO 23 1HB PRO 23 -14.195 3.057 -15.233
146 1HG PRO 23 2HG PRO 23 -12.063 2.261 -13.309
147 2HG PRO 23 1HG PRO 23 -13.276 3.545 -13.173
148 1HD PRO 23 2HD PRO 23 -13.386 1.010 -11.912
149 2HD PRO 23 1HD PRO 23 -14.715 2.180 -12.036
150 H GLY 24 H GLY 24 -12.761 0.757 -17.038
151 1HA GLY 24 2HA GLY 24 -11.932 -2.038 -16.558
152 2HA GLY 24 1HA GLY 24 -11.594 -1.095 -18.010
153 H ALA 25 H ALA 25 -11.022 0.474 -15.001
154 HA ALA 25 HA ALA 25 -8.286 0.985 -15.542
155 1HB ALA 25 1HB ALA 25 -9.633 2.343 -13.982
156 2HB ALA 25 2HB ALA 25 -8.166 1.753 -13.199
157 3HB ALA 25 3HB ALA 25 -9.716 0.980 -12.867
158 H GLN 26 H GLN 26 -6.471 0.274 -13.977
159 HA GLN 26 HA GLN 26 -6.660 -2.683 -13.672
160 1HB GLN 26 2HB GLN 26 -4.624 -0.905 -14.646
161 2HB GLN 26 1HB GLN 26 -3.997 -1.819 -13.275
162 1HG GLN 26 2HG GLN 26 -3.657 -3.500 -14.756
163 2HG GLN 26 1HG GLN 26 -5.403 -3.727 -14.706
164 1HE2 GLN 26 1HE2 GLN 26 -6.295 -3.762 -16.764
165 2HE2 GLN 26 2HE2 GLN 26 -5.729 -2.870 -18.092
166 H CYS 27 H CYS 27 -6.936 0.067 -11.829
167 HA CYS 27 HA CYS 27 -6.879 -1.335 -9.352
168 1HB CYS 27 2HB CYS 27 -4.858 -0.041 -8.399
169 2HB CYS 27 1HB CYS 27 -4.515 -1.432 -9.428
170 H GLY 28 H GLY 28 -7.725 -0.046 -7.685
171 1HA GLY 28 2HA GLY 28 -8.631 2.647 -8.565
172 2HA GLY 28 1HA GLY 28 -9.361 1.702 -7.268
173 H GLU 29 H GLU 29 -6.351 1.126 -6.531
174 HA GLU 29 HA GLU 29 -5.174 3.568 -5.684
175 1HB GLU 29 2HB GLU 29 -5.819 3.662 -3.339
176 2HB GLU 29 1HB GLU 29 -7.273 3.724 -4.334
177 1HG GLU 29 2HG GLU 29 -7.416 1.196 -4.055
178 2HG GLU 29 1HG GLU 29 -6.173 1.355 -2.814
179 H GLY 30 H GLY 30 -3.090 3.005 -5.259
180 1HA GLY 30 1HA GLY 30 -2.440 0.670 -3.623
181 2HA GLY 30 2HA GLY 30 -1.988 0.488 -5.317
182 H LEU 31 H LEU 31 0.041 0.512 -3.421
183 HA LEU 31 HA LEU 31 1.128 3.069 -2.807
184 1HB LEU 31 2HB LEU 31 1.970 0.364 -2.600
185 2HB LEU 31 1HB LEU 31 3.259 1.275 -3.373
186 HG LEU 31 HG LEU 31 3.599 1.408 -0.984
187 1HD1 LEU 31 1HD1 LEU 31 2.279 4.036 -1.603
188 2HD1 LEU 31 2HD1 LEU 31 3.690 3.529 -2.533
189 3HD1 LEU 31 3HD1 LEU 31 3.809 3.725 -0.785
190 1HD2 LEU 31 1HD2 LEU 31 1.270 2.871 -0.164
191 2HD2 LEU 31 2HD2 LEU 31 1.850 1.315 0.431
192 3HD2 LEU 31 3HD2 LEU 31 0.749 1.378 -0.945
193 H CYS 32 H CYS 32 0.814 1.434 -5.805
194 HA CYS 32 HA CYS 32 2.313 3.620 -7.118
195 1HB CYS 32 2HB CYS 32 2.874 0.718 -7.780
196 2HB CYS 32 1HB CYS 32 3.682 2.141 -8.436
197 H CYS 33 H CYS 33 -0.438 3.386 -7.136
198 HA CYS 33 HA CYS 33 -1.008 2.234 -9.838
199 1HB CYS 33 2HB CYS 33 -2.460 1.232 -8.181
200 2HB CYS 33 1HB CYS 33 -2.872 2.810 -7.512
201 H GLU 34 H GLU 34 -0.479 3.967 -11.148
202 HA GLU 34 HA GLU 34 -0.915 6.708 -10.552
203 1HB GLU 34 2HB GLU 34 -0.534 7.122 -12.901
204 2HB GLU 34 1HB GLU 34 0.536 5.814 -12.398
205 1HG GLU 34 2HG GLU 34 -0.957 4.152 -13.330
206 2HG GLU 34 1HG GLU 34 -2.174 5.380 -13.683
207 H GLN 35 H GLN 35 -2.360 7.472 -12.960
208 HA GLN 35 HA GLN 35 -4.953 7.784 -11.887
209 1HB GLN 35 2HB GLN 35 -5.570 8.262 -14.358
210 2HB GLN 35 1HB GLN 35 -4.360 9.297 -13.596
211 1HG GLN 35 2HG GLN 35 -2.606 8.357 -14.784
212 2HG GLN 35 1HG GLN 35 -3.435 6.813 -14.988
213 1HE2 GLN 35 1HE2 GLN 35 -2.296 9.098 -16.908
214 2HE2 GLN 35 2HE2 GLN 35 -3.526 9.219 -18.071
215 H CYS 36 H CYS 36 -5.698 5.722 -11.196
216 HA CYS 36 HA CYS 36 -6.727 3.622 -11.433
217 1HB CYS 36 2HB CYS 36 -7.726 5.259 -13.754
218 2HB CYS 36 1HB CYS 36 -8.261 3.596 -13.527
219 H LYS 37 H LYS 37 -4.004 3.876 -12.600
220 HA LYS 37 HA LYS 37 -4.214 1.535 -14.426
221 1HB LYS 37 2HB LYS 37 -2.498 3.968 -15.012
222 2HB LYS 37 1HB LYS 37 -2.609 2.509 -15.994
223 1HG LYS 37 2HG LYS 37 -5.264 3.340 -15.642
224 2HG LYS 37 1HG LYS 37 -4.361 4.823 -15.950
225 1HD LYS 37 2HD LYS 37 -3.273 3.580 -17.906
226 2HD LYS 37 1HD LYS 37 -4.520 2.352 -17.682
227 1HE LYS 37 2HE LYS 37 -6.218 4.266 -17.819
228 2HE LYS 37 1HE LYS 37 -4.887 5.265 -18.405
229 1HZ LYS 37 1HZ LYS 37 -4.635 3.082 -19.930
230 2HZ LYS 37 2HZ LYS 37 -5.504 4.467 -20.389
231 3HZ LYS 37 3HZ LYS 37 -6.319 3.129 -19.730
232 H PHE 38 H PHE 38 -2.305 0.198 -14.384
233 HA PHE 38 HA PHE 38 -0.931 0.215 -11.849
234 1HB PHE 38 2HB PHE 38 -0.704 -1.396 -14.370
235 2HB PHE 38 1HB PHE 38 0.574 -1.508 -13.161
236 HD1 PHE 38 HD1 PHE 38 -0.927 -1.182 -10.640
237 HD2 PHE 38 HD2 PHE 38 -1.899 -3.418 -14.175
238 HE1 PHE 38 HE1 PHE 38 -2.337 -2.707 -9.288
239 HE2 PHE 38 HE2 PHE 38 -3.312 -4.943 -12.823
240 HZ PHE 38 HZ PHE 38 -3.531 -4.587 -10.377
241 H SER 39 H SER 39 0.618 1.672 -11.354
242 HA SER 39 HA SER 39 2.003 3.381 -13.083
243 1HB SER 39 2HB SER 39 3.685 3.584 -11.300
244 2HB SER 39 1HB SER 39 2.071 3.527 -10.594
245 HG SER 39 HG SER 39 4.154 1.824 -10.305
246 H ARG 40 H ARG 40 4.573 3.152 -13.311
247 HA ARG 40 HA ARG 40 4.986 0.604 -14.723
248 1HB ARG 40 2HB ARG 40 6.802 1.669 -15.846
249 2HB ARG 40 1HB ARG 40 5.530 2.886 -15.755
250 1HG ARG 40 2HG ARG 40 6.791 3.381 -13.415
251 2HG ARG 40 1HG ARG 40 8.153 2.782 -14.363
252 1HD ARG 40 2HD ARG 40 7.595 4.409 -16.155
253 2HD ARG 40 1HD ARG 40 6.286 5.038 -15.153
254 HE ARG 40 HE ARG 40 9.172 5.449 -14.686
255 1HH1 ARG 40 1HH1 ARG 40 6.029 5.345 -13.304
256 2HH1 ARG 40 2HH1 ARG 40 6.308 6.672 -12.227
257 1HH2 ARG 40 1HH2 ARG 40 9.501 7.316 -13.422
258 2HH2 ARG 40 2HH2 ARG 40 8.275 7.789 -12.293
259 H ALA 41 H ALA 41 6.631 -0.843 -14.129
260 HA ALA 41 HA ALA 41 7.275 -1.185 -11.444
261 1HB ALA 41 1HB ALA 41 7.765 -3.070 -12.714
262 2HB ALA 41 2HB ALA 41 9.386 -2.413 -12.488
263 3HB ALA 41 3HB ALA 41 8.523 -2.129 -13.998
264 H GLY 42 H GLY 42 9.869 -1.295 -10.861
265 1HA GLY 42 2HA GLY 42 11.635 0.077 -10.137
266 2HA GLY 42 1HA GLY 42 11.544 0.808 -11.743
267 H LYS 43 H LYS 43 8.675 0.806 -9.829
268 HA LYS 43 HA LYS 43 8.867 3.745 -9.607
269 1HB LYS 43 2HB LYS 43 6.779 3.177 -10.493
270 2HB LYS 43 1HB LYS 43 6.620 1.759 -9.469
271 1HG LYS 43 2HG LYS 43 5.351 2.999 -8.080
272 2HG LYS 43 1HG LYS 43 6.775 3.951 -7.695
273 1HD LYS 43 2HD LYS 43 6.203 5.168 -9.965
274 2HD LYS 43 1HD LYS 43 4.587 4.536 -9.649
275 1HE LYS 43 2HE LYS 43 4.382 6.468 -8.438
276 2HE LYS 43 1HE LYS 43 5.182 5.507 -7.195
277 1HZ LYS 43 1HZ LYS 43 6.244 7.656 -8.858
278 2HZ LYS 43 2HZ LYS 43 7.297 6.373 -8.494
279 3HZ LYS 43 3HZ LYS 43 6.579 7.268 -7.241
280 H ILE 44 H ILE 44 9.036 4.793 -7.628
281 HA ILE 44 HA ILE 44 9.923 3.178 -5.381
282 HB ILE 44 HB ILE 44 10.906 5.374 -5.826
283 1HG1 ILE 44 2HG1 ILE 44 10.497 6.374 -3.501
284 2HG1 ILE 44 1HG1 ILE 44 9.343 5.063 -3.252
285 1HG2 ILE 44 1HG2 ILE 44 8.177 6.093 -6.166
286 2HG2 ILE 44 2HG2 ILE 44 9.600 7.109 -6.396
287 3HG2 ILE 44 3HG2 ILE 44 8.805 7.048 -4.822
288 1HD1 ILE 44 1HD1 ILE 44 11.932 4.816 -2.595
289 2HD1 ILE 44 2HD1 ILE 44 12.040 4.317 -4.283
290 3HD1 ILE 44 3HD1 ILE 44 10.980 3.448 -3.172
291 H CYS 45 H CYS 45 8.702 2.293 -3.903
292 HA CYS 45 HA CYS 45 5.961 3.378 -3.382
293 1HB CYS 45 2HB CYS 45 5.618 0.994 -2.421
294 2HB CYS 45 1HB CYS 45 5.671 1.166 -4.168
295 H ARG 46 H ARG 46 9.083 2.649 -2.111
296 HA ARG 46 HA ARG 46 8.347 3.858 0.447
297 1HB ARG 46 2HB ARG 46 8.717 0.930 0.136
298 2HB ARG 46 1HB ARG 46 9.557 1.670 1.500
299 1HG ARG 46 2HG ARG 46 7.624 1.767 2.644
300 2HG ARG 46 1HG ARG 46 6.924 2.779 1.379
301 1HD ARG 46 2HD ARG 46 5.513 1.054 0.986
302 2HD ARG 46 1HD ARG 46 6.896 0.250 0.244
303 HE ARG 46 HE ARG 46 6.929 -0.184 3.084
304 1HH1 ARG 46 1HH2 ARG 46 7.428 -2.341 1.097
305 2HH1 ARG 46 2HH2 ARG 46 6.016 -3.331 1.254
306 1HH2 ARG 46 1HH1 ARG 46 4.170 -0.904 2.902
307 2HH2 ARG 46 2HH1 ARG 46 4.174 -2.519 2.275
308 H ILE 47 H ILE 47 10.427 3.701 1.945
309 HA ILE 47 HA ILE 47 12.811 4.105 0.181
310 HB ILE 47 HB ILE 47 12.203 6.253 1.024
311 1HG1 ILE 47 2HG1 ILE 47 14.055 6.804 2.547
312 2HG1 ILE 47 1HG1 ILE 47 14.273 5.094 2.920
313 1HG2 ILE 47 1HG2 ILE 47 12.141 6.210 3.763
314 2HG2 ILE 47 2HG2 ILE 47 11.394 4.661 3.373
315 3HG2 ILE 47 3HG2 ILE 47 10.709 6.155 2.735
316 1HD1 ILE 47 1HD1 ILE 47 15.720 6.308 1.029
317 2HD1 ILE 47 2HD1 ILE 47 14.316 5.892 0.045
318 3HD1 ILE 47 3HD1 ILE 47 15.221 4.623 0.872
319 H ALA 48 H ALA 48 14.561 2.858 0.698
320 HA ALA 48 HA ALA 48 14.430 0.745 2.563
321 1HB ALA 48 1HB ALA 48 16.441 0.193 1.680
322 2HB ALA 48 2HB ALA 48 17.154 1.734 2.158
323 3HB ALA 48 3HB ALA 48 16.254 1.610 0.646
324 H ARG 49 H ARG 49 16.403 0.675 4.335
325 HA ARG 49 HA ARG 49 16.043 3.109 6.016
326 1HB ARG 49 2HB ARG 49 16.478 0.355 7.092
327 2HB ARG 49 1HB ARG 49 15.915 1.775 7.963
328 1HG ARG 49 2HG ARG 49 14.218 1.167 5.674
329 2HG ARG 49 1HG ARG 49 14.304 -0.187 6.802
330 1HD ARG 49 2HD ARG 49 13.878 2.604 7.836
331 2HD ARG 49 1HD ARG 49 12.516 1.681 7.202
332 HE ARG 49 HE ARG 49 13.595 -0.100 8.952
333 1HH1 ARG 49 1HH1 ARG 49 11.150 1.658 9.536
334 2HH1 ARG 49 2HH1 ARG 49 11.597 2.337 11.065
335 1HH2 ARG 49 1HH2 ARG 49 14.941 1.464 10.775
336 2HH2 ARG 49 2HH2 ARG 49 13.744 2.229 11.767
337 H GLY 50 H GLY 50 18.102 0.260 6.199
338 1HA GLY 50 2HA GLY 50 20.354 1.628 7.243
339 2HA GLY 50 1HA GLY 50 20.427 0.062 6.439
340 H ASP 51 H ASP 51 21.542 0.030 4.544
341 HA ASP 51 HA ASP 51 21.635 2.493 2.914
342 1HB ASP 51 2HB ASP 51 23.794 1.536 4.447
343 2HB ASP 51 1HB ASP 51 24.152 1.114 2.774
344 H TRP 52 H TRP 52 20.690 1.849 1.037
345 HA TRP 52 HA TRP 52 21.879 -0.131 -0.643
346 1HB TRP 52 2HB TRP 52 19.407 -1.415 -0.425
347 2HB TRP 52 1HB TRP 52 20.951 -2.033 0.148
348 HD1 TRP 52 HD1 TRP 52 18.585 0.690 1.574
349 HE1 TRP 52 HE1 TRP 52 18.160 0.150 4.058
350 HE3 TRP 52 HE3 TRP 52 21.243 -3.646 2.003
351 HZ2 TRP 52 HZ2 TRP 52 18.849 -1.859 5.973
352 HZ3 TRP 52 HZ3 TRP 52 21.343 -4.853 4.165
353 HH2 TRP 52 HH2 TRP 52 20.150 -3.967 6.149
354 H ASN 53 H ASN 53 19.651 -0.879 -2.174
355 HA ASN 53 HA ASN 53 19.117 1.594 -3.571
356 1HB ASN 53 2HB ASN 53 17.668 0.170 -5.009
357 2HB ASN 53 1HB ASN 53 19.273 -0.523 -4.783
358 1HD2 ASN 53 1HD2 ASN 53 18.346 -2.702 -5.199
359 2HD2 ASN 53 2HD2 ASN 53 17.451 -3.491 -3.992
360 H ASP 54 H ASP 54 16.510 1.610 -4.291
361 HA ASP 54 HA ASP 54 15.111 2.117 -1.703
362 1HB ASP 54 2HB ASP 54 15.290 3.548 -4.224
363 2HB ASP 54 1HB ASP 54 13.617 3.286 -3.742
364 H ASP 55 H ASP 55 12.654 1.790 -1.883
365 HA ASP 55 HA ASP 55 12.184 -0.921 -2.867
366 1HB ASP 55 2HB ASP 55 11.049 0.766 -0.900
367 2HB ASP 55 1HB ASP 55 9.775 0.417 -2.065
368 H ARG 56 H ARG 56 11.475 -1.363 -4.903
369 HA ARG 56 HA ARG 56 10.252 0.860 -6.455
370 1HB ARG 56 2HB ARG 56 11.589 -1.645 -7.425
371 2HB ARG 56 1HB ARG 56 10.971 -0.355 -8.446
372 1HG ARG 56 2HG ARG 56 13.007 0.169 -6.279
373 2HG ARG 56 1HG ARG 56 13.490 -0.303 -7.909
374 1HD ARG 56 2HD ARG 56 12.954 1.724 -8.786
375 2HD ARG 56 1HD ARG 56 11.485 1.857 -7.820
376 HE ARG 56 HE ARG 56 13.182 2.390 -5.891
377 1HH1 ARG 56 1HH1 ARG 56 12.323 4.509 -8.040
378 2HH1 ARG 56 2HH1 ARG 56 13.847 5.296 -8.293
379 1HH2 ARG 56 1HH2 ARG 56 15.688 2.818 -6.715
380 2HH2 ARG 56 2HH2 ARG 56 15.751 4.339 -7.541
381 H CYS 57 H CYS 57 8.621 0.098 -8.120
382 HA CYS 57 HA CYS 57 6.900 -2.048 -6.952
383 1HB CYS 57 2HB CYS 57 6.277 0.604 -8.171
384 2HB CYS 57 1HB CYS 57 5.181 -0.721 -8.540
385 H THR 58 H THR 58 5.477 -3.032 -8.788
386 HA THR 58 HA THR 58 7.306 -3.722 -11.013
387 HB THR 58 HB THR 58 5.836 -5.607 -11.414
388 HG1 THR 58 HG1 THR 58 4.004 -5.747 -9.844
389 1HG2 THR 58 1HG2 THR 58 6.517 -6.785 -9.589
390 2HG2 THR 58 2HG2 THR 58 5.765 -5.660 -8.460
391 3HG2 THR 58 3HG2 THR 58 7.337 -5.282 -9.164
392 H GLY 59 H GLY 59 6.153 -4.011 -13.209
393 1HA GLY 59 2HA GLY 59 4.755 -1.481 -13.774
394 2HA GLY 59 1HA GLY 59 5.360 -2.619 -14.976
395 H GLN 60 H GLN 60 3.427 -3.823 -12.323
396 HA GLN 60 HA GLN 60 0.920 -3.667 -13.829
397 1HB GLN 60 2HB GLN 60 0.718 -6.217 -13.877
398 2HB GLN 60 1HB GLN 60 1.822 -5.498 -15.050
399 1HG GLN 60 2HG GLN 60 3.059 -6.115 -12.446
400 2HG GLN 60 1HG GLN 60 2.498 -7.530 -13.338
401 1HE2 GLN 60 1HE2 GLN 60 3.367 -7.816 -15.578
402 2HE2 GLN 60 2HE2 GLN 60 4.857 -7.117 -15.994
403 H SER 61 H SER 61 2.261 -3.373 -10.968
404 HA SER 61 HA SER 61 -0.036 -4.698 -9.582
405 1HB SER 61 2HB SER 61 1.834 -6.009 -8.932
406 2HB SER 61 1HB SER 61 2.864 -4.593 -8.750
407 HG SER 61 HG SER 61 0.863 -5.606 -7.082
408 H ALA 62 H ALA 62 -0.726 -3.611 -7.612
409 HA ALA 62 HA ALA 62 -0.184 -0.680 -7.721
410 1HB ALA 62 1HB ALA 62 -2.382 -0.404 -7.269
411 2HB ALA 62 2HB ALA 62 -2.288 -1.493 -5.886
412 3HB ALA 62 3HB ALA 62 -2.572 -2.142 -7.500
413 H ASP 63 H ASP 63 -0.552 -3.353 -5.366
414 HA ASP 63 HA ASP 63 0.470 -1.769 -3.170
415 1HB ASP 63 2HB ASP 63 0.661 -4.737 -3.177
416 2HB ASP 63 1HB ASP 63 0.208 -3.658 -1.865
417 H CYS 64 H CYS 64 2.557 -2.245 -2.067
418 HA CYS 64 HA CYS 64 4.639 -3.029 -4.062
419 1HB CYS 64 2HB CYS 64 4.883 -0.691 -3.593
420 2HB CYS 64 1HB CYS 64 4.714 -0.961 -1.860
421 HA PRO 65 HA PRO 65 5.616 -6.182 -1.186
422 1HB PRO 65 2HB PRO 65 7.790 -7.089 -2.578
423 2HB PRO 65 1HB PRO 65 6.129 -7.472 -3.027
424 1HG PRO 65 2HG PRO 65 8.065 -5.632 -4.327
425 2HG PRO 65 1HG PRO 65 6.650 -6.443 -5.019
426 1HD PRO 65 2HD PRO 65 6.807 -3.728 -4.203
427 2HD PRO 65 1HD PRO 65 5.338 -4.613 -4.663
428 H ARG 66 H ARG 66 8.091 -7.001 -0.455
429 HA ARG 66 HA ARG 66 9.216 -4.610 0.833
430 1HB ARG 66 2HB ARG 66 10.018 -7.492 1.270
431 2HB ARG 66 1HB ARG 66 10.298 -6.123 2.346
432 1HG ARG 66 2HG ARG 66 7.913 -5.894 2.763
433 2HG ARG 66 1HG ARG 66 7.550 -7.145 1.572
434 1HD ARG 66 2HD ARG 66 9.359 -7.733 3.909
435 2HD ARG 66 1HD ARG 66 7.605 -7.822 4.081
436 HE ARG 66 HE ARG 66 9.259 -9.755 2.712
437 1HH1 ARG 66 1HH2 ARG 66 6.146 -8.909 3.618
438 2HH1 ARG 66 2HH2 ARG 66 5.345 -9.826 2.385
439 1HH2 ARG 66 1HH1 ARG 66 8.271 -10.611 0.698
440 2HH2 ARG 66 2HH1 ARG 66 6.549 -10.788 0.731
441 H TYR 67 H TYR 67 11.490 -4.113 0.699
442 HA TYR 67 HA TYR 67 13.319 -5.605 -0.924
443 1HB TYR 67 2HB TYR 67 11.506 -4.003 -2.381
444 2HB TYR 67 1HB TYR 67 13.054 -3.162 -2.408
445 HD1 TYR 67 HD1 TYR 67 15.163 -4.656 -2.887
446 HD2 TYR 67 HD2 TYR 67 11.133 -5.749 -3.892
447 HE1 TYR 67 HE1 TYR 67 16.019 -6.271 -4.563
448 HE2 TYR 67 HE2 TYR 67 11.989 -7.366 -5.567
449 HH TYR 67 HH TYR 67 15.443 -8.035 -5.876
450 H HIS 68 HN HIS 68 13.635 -4.591 1.577
451 HA HIS 68 HA HIS 68 15.735 -2.547 1.133
452 1HB HIS 68 2HB HIS 68 14.745 -1.563 3.433
453 2HB HIS 68 1HB HIS 68 14.217 -0.976 1.856
454 HD1 HIS 68 HD1 HIS 68 13.237 -4.162 3.718
455 HD2 HIS 68 HD2 HIS 68 11.474 -0.736 2.127
456 HE1 HIS 68 HE1 HIS 68 10.736 -4.451 3.992
Start of MODEL 11
1 1H GLY 1 1HT GLY 1 -5.560 -12.815 2.419
2 2H GLY 1 2HT GLY 1 -6.915 -13.562 3.122
3 3H GLY 1 3HT GLY 1 -6.778 -11.868 3.124
4 1HA GLY 1 1HA GLY 1 -6.577 -12.537 0.481
5 2HA GLY 1 2HA GLY 1 -7.832 -13.600 1.117
6 H LYS 2 H LYS 2 -7.696 -10.900 -0.517
7 HA LYS 2 HA LYS 2 -10.024 -9.715 0.915
8 1HB LYS 2 2HB LYS 2 -9.018 -7.439 0.097
9 2HB LYS 2 1HB LYS 2 -8.393 -8.171 1.575
10 1HG LYS 2 2HG LYS 2 -6.385 -8.744 0.610
11 2HG LYS 2 1HG LYS 2 -7.102 -8.984 -0.985
12 1HD LYS 2 2HD LYS 2 -7.500 -6.392 -0.899
13 2HD LYS 2 1HD LYS 2 -6.232 -6.425 0.329
14 1HE LYS 2 2HE LYS 2 -4.709 -7.540 -1.237
15 2HE LYS 2 1HE LYS 2 -5.977 -7.585 -2.463
16 1HZ LYS 2 1HZ LYS 2 -4.388 -5.715 -2.705
17 2HZ LYS 2 2HZ LYS 2 -4.955 -5.086 -1.232
18 3HZ LYS 2 3HZ LYS 2 -6.005 -5.223 -2.560
19 H GLU 3 H GLU 3 -11.559 -8.753 -0.481
20 HA GLU 3 HA GLU 3 -10.990 -8.927 -3.404
21 1HB GLU 3 2HB GLU 3 -13.573 -9.643 -3.434
22 2HB GLU 3 1HB GLU 3 -12.278 -10.833 -3.320
23 1HG GLU 3 2HG GLU 3 -13.768 -11.439 -1.589
24 2HG GLU 3 1HG GLU 3 -12.495 -10.547 -0.759
25 H CYS 4 H CYS 4 -10.822 -6.574 -2.061
26 HA CYS 4 HA CYS 4 -13.192 -5.127 -3.079
27 1HB CYS 4 2HB CYS 4 -13.350 -5.542 -0.560
28 2HB CYS 4 1HB CYS 4 -12.009 -4.432 -0.436
29 H ASP 5 H ASP 5 -11.227 -5.089 -4.660
30 HA ASP 5 HA ASP 5 -8.868 -3.766 -4.455
31 1HB ASP 5 2HB ASP 5 -10.422 -4.466 -6.562
32 2HB ASP 5 1HB ASP 5 -10.542 -2.709 -6.660
33 H CYS 6 H CYS 6 -12.023 -2.233 -4.071
34 HA CYS 6 HA CYS 6 -10.558 0.354 -3.678
35 1HB CYS 6 2HB CYS 6 -12.637 1.493 -4.330
36 2HB CYS 6 1HB CYS 6 -12.102 0.397 -5.604
37 H SER 7 H SER 7 -11.674 1.830 -2.079
38 HA SER 7 HA SER 7 -13.094 0.281 0.037
39 1HB SER 7 2HB SER 7 -10.474 1.452 0.185
40 2HB SER 7 1HB SER 7 -11.548 2.266 1.317
41 HG SER 7 HG SER 7 -11.410 0.550 2.506
42 H SER 8 H SER 8 -13.343 2.727 -2.098
43 HA SER 8 HA SER 8 -15.035 4.348 -0.243
44 1HB SER 8 2HB SER 8 -14.441 6.022 -2.365
45 2HB SER 8 1HB SER 8 -13.650 6.053 -0.791
46 HG SER 8 HG SER 8 -12.032 4.787 -1.589
47 HA PRO 9 HA PRO 9 -18.139 3.058 -3.174
48 1HB PRO 9 2HB PRO 9 -20.238 4.275 -1.884
49 2HB PRO 9 1HB PRO 9 -19.531 2.735 -1.366
50 1HG PRO 9 2HG PRO 9 -19.244 5.436 -0.139
51 2HG PRO 9 1HG PRO 9 -19.108 3.840 0.617
52 1HD PRO 9 2HD PRO 9 -16.949 5.515 -0.142
53 2HD PRO 9 1HD PRO 9 -16.835 3.806 0.329
54 H GLU 10 H GLU 10 -16.746 6.005 -2.923
55 HA GLU 10 HA GLU 10 -18.685 7.268 -4.824
56 1HB GLU 10 2HB GLU 10 -18.080 9.427 -3.960
57 2HB GLU 10 1HB GLU 10 -18.422 8.409 -2.561
58 1HG GLU 10 2HG GLU 10 -15.678 8.038 -3.211
59 2HG GLU 10 1HG GLU 10 -15.984 9.775 -3.212
60 H ASN 11 H ASN 11 -16.312 5.481 -5.274
61 HA ASN 11 HA ASN 11 -14.547 7.363 -6.729
62 1HB ASN 11 2HB ASN 11 -13.946 5.253 -5.020
63 2HB ASN 11 1HB ASN 11 -13.669 4.585 -6.628
64 1HD2 ASN 11 1HD2 ASN 11 -11.303 4.636 -5.995
65 2HD2 ASN 11 2HD2 ASN 11 -10.449 6.093 -6.151
66 HA PRO 12 HA PRO 12 -16.179 5.779 -10.509
67 1HB PRO 12 2HB PRO 12 -14.163 6.659 -12.162
68 2HB PRO 12 1HB PRO 12 -15.413 7.723 -11.491
69 1HG PRO 12 2HG PRO 12 -12.548 7.459 -10.699
70 2HG PRO 12 1HG PRO 12 -13.628 8.856 -10.556
71 1HD PRO 12 2HD PRO 12 -12.905 7.106 -8.455
72 2HD PRO 12 1HD PRO 12 -14.238 8.280 -8.421
73 H CYS 13 H CYS 13 -12.851 5.114 -9.542
74 HA CYS 13 HA CYS 13 -12.688 2.770 -11.348
75 1HB CYS 13 2HB CYS 13 -10.795 4.476 -9.895
76 2HB CYS 13 1HB CYS 13 -10.425 2.759 -9.740
77 H CYS 14 H CYS 14 -14.713 2.576 -9.390
78 HA CYS 14 HA CYS 14 -13.678 0.268 -7.854
79 1HB CYS 14 2HB CYS 14 -13.390 1.904 -6.181
80 2HB CYS 14 1HB CYS 14 -14.832 2.789 -6.665
81 H ASP 15 H ASP 15 -15.398 -1.076 -7.009
82 HA ASP 15 HA ASP 15 -18.034 -0.666 -8.335
83 1HB ASP 15 2HB ASP 15 -16.505 -2.557 -9.237
84 2HB ASP 15 1HB ASP 15 -16.891 -3.365 -7.724
85 H ALA 16 H ALA 16 -19.441 -0.190 -6.723
86 HA ALA 16 HA ALA 16 -18.938 -1.093 -3.990
87 1HB ALA 16 1HB ALA 16 -19.743 1.221 -4.528
88 2HB ALA 16 2HB ALA 16 -20.770 0.368 -3.377
89 3HB ALA 16 3HB ALA 16 -21.267 0.512 -5.063
90 H ALA 17 H ALA 17 -19.969 -2.849 -6.377
91 HA ALA 17 HA ALA 17 -22.266 -4.024 -4.855
92 1HB ALA 17 1HB ALA 17 -23.323 -3.551 -6.847
93 2HB ALA 17 2HB ALA 17 -22.594 -5.089 -7.311
94 3HB ALA 17 3HB ALA 17 -21.819 -3.572 -7.768
95 H THR 18 H THR 18 -19.088 -4.407 -5.917
96 HA THR 18 HA THR 18 -19.128 -7.262 -5.142
97 HB THR 18 HB THR 18 -18.273 -6.096 -7.752
98 HG1 THR 18 HG1 THR 18 -20.245 -7.470 -7.067
99 1HG2 THR 18 1HG2 THR 18 -16.237 -7.139 -7.032
100 2HG2 THR 18 2HG2 THR 18 -17.012 -8.238 -8.173
101 3HG2 THR 18 3HG2 THR 18 -17.110 -8.554 -6.441
102 H CYS 19 H CYS 19 -17.950 -4.306 -4.512
103 HA CYS 19 HA CYS 19 -15.959 -3.479 -3.568
104 1HB CYS 19 2HB CYS 19 -16.523 -6.035 -2.393
105 2HB CYS 19 1HB CYS 19 -14.794 -5.811 -2.508
106 H LYS 20 H LYS 20 -14.900 -3.044 -5.594
107 HA LYS 20 HA LYS 20 -12.377 -4.323 -5.878
108 1HB LYS 20 2HB LYS 20 -14.598 -5.636 -7.279
109 2HB LYS 20 1HB LYS 20 -13.223 -5.256 -8.319
110 1HG LYS 20 2HG LYS 20 -11.988 -6.226 -6.046
111 2HG LYS 20 1HG LYS 20 -13.431 -7.234 -6.149
112 1HD LYS 20 2HD LYS 20 -12.858 -7.606 -8.597
113 2HD LYS 20 1HD LYS 20 -11.305 -6.837 -8.266
114 1HE LYS 20 2HE LYS 20 -10.998 -9.222 -8.039
115 2HE LYS 20 1HE LYS 20 -10.958 -8.523 -6.421
116 1HZ LYS 20 1HZ LYS 20 -12.693 -10.478 -7.423
117 2HZ LYS 20 2HZ LYS 20 -13.619 -9.098 -7.066
118 3HZ LYS 20 3HZ LYS 20 -12.652 -9.810 -5.864
119 H LEU 21 H LEU 21 -11.831 -4.035 -8.569
120 HA LEU 21 HA LEU 21 -11.880 -1.105 -8.812
121 1HB LEU 21 2HB LEU 21 -10.416 -3.349 -10.034
122 2HB LEU 21 1HB LEU 21 -10.796 -2.032 -11.143
123 HG LEU 21 HG LEU 21 -9.577 -1.494 -8.435
124 1HD1 LEU 21 1HD1 LEU 21 -8.283 -3.081 -10.178
125 2HD1 LEU 21 2HD1 LEU 21 -7.446 -1.886 -9.188
126 3HD1 LEU 21 3HD1 LEU 21 -7.858 -1.511 -10.861
127 1HD2 LEU 21 1HD2 LEU 21 -10.503 0.063 -10.661
128 2HD2 LEU 21 2HD2 LEU 21 -8.760 0.281 -10.503
129 3HD2 LEU 21 3HD2 LEU 21 -9.820 0.629 -9.138
130 H ARG 22 H ARG 22 -12.818 0.022 -10.559
131 HA ARG 22 HA ARG 22 -15.174 -1.211 -11.712
132 1HB ARG 22 2HB ARG 22 -14.671 1.340 -11.285
133 2HB ARG 22 1HB ARG 22 -13.874 1.254 -12.858
134 1HG ARG 22 2HG ARG 22 -15.850 0.832 -13.994
135 2HG ARG 22 1HG ARG 22 -16.617 0.084 -12.593
136 1HD ARG 22 2HD ARG 22 -16.687 2.350 -11.505
137 2HD ARG 22 1HD ARG 22 -16.099 3.040 -13.019
138 HE ARG 22 HE ARG 22 -18.377 1.482 -13.645
139 1HH1 ARG 22 1HH2 ARG 22 -18.587 3.178 -10.890
140 2HH1 ARG 22 2HH2 ARG 22 -19.636 4.431 -11.466
141 1HH2 ARG 22 1HH1 ARG 22 -19.268 3.566 -14.804
142 2HH2 ARG 22 2HH1 ARG 22 -20.023 4.649 -13.682
143 HA PRO 23 HA PRO 23 -12.897 -3.400 -14.815
144 1HB PRO 23 2HB PRO 23 -15.059 -3.850 -16.493
145 2HB PRO 23 1HB PRO 23 -14.673 -4.822 -15.059
146 1HG PRO 23 2HG PRO 23 -16.714 -2.625 -15.356
147 2HG PRO 23 1HG PRO 23 -16.814 -4.129 -14.418
148 1HD PRO 23 2HD PRO 23 -16.253 -1.714 -13.227
149 2HD PRO 23 1HD PRO 23 -15.612 -3.249 -12.619
150 H GLY 24 H GLY 24 -11.685 -1.543 -15.417
151 1HA GLY 24 2HA GLY 24 -11.951 -0.727 -18.135
152 2HA GLY 24 1HA GLY 24 -12.517 0.581 -17.090
153 H ALA 25 H ALA 25 -10.894 0.675 -15.013
154 HA ALA 25 HA ALA 25 -8.311 1.434 -16.131
155 1HB ALA 25 1HB ALA 25 -7.878 2.375 -13.955
156 2HB ALA 25 2HB ALA 25 -9.201 1.453 -13.242
157 3HB ALA 25 3HB ALA 25 -9.547 2.759 -14.377
158 H GLN 26 H GLN 26 -6.682 0.866 -13.878
159 HA GLN 26 HA GLN 26 -6.692 -2.108 -13.741
160 1HB GLN 26 2HB GLN 26 -4.819 -0.465 -15.171
161 2HB GLN 26 1HB GLN 26 -3.987 -1.281 -13.849
162 1HG GLN 26 2HG GLN 26 -3.862 -2.950 -15.435
163 2HG GLN 26 1HG GLN 26 -5.432 -3.349 -14.736
164 1HE2 GLN 26 1HE2 GLN 26 -3.898 -1.640 -17.484
165 2HE2 GLN 26 2HE2 GLN 26 -5.262 -1.706 -18.492
166 H CYS 27 H CYS 27 -6.848 0.638 -12.030
167 HA CYS 27 HA CYS 27 -6.121 -0.621 -9.556
168 1HB CYS 27 2HB CYS 27 -4.183 0.606 -8.923
169 2HB CYS 27 1HB CYS 27 -3.850 0.038 -10.557
170 H GLY 28 H GLY 28 -7.486 0.269 -8.079
171 1HA GLY 28 2HA GLY 28 -8.730 2.875 -8.769
172 2HA GLY 28 1HA GLY 28 -9.398 1.693 -7.647
173 H GLU 29 H GLU 29 -6.417 1.536 -6.633
174 HA GLU 29 HA GLU 29 -5.795 4.051 -5.456
175 1HB GLU 29 2HB GLU 29 -6.644 3.644 -3.153
176 2HB GLU 29 1HB GLU 29 -7.949 3.818 -4.327
177 1HG GLU 29 2HG GLU 29 -8.703 1.879 -3.389
178 2HG GLU 29 1HG GLU 29 -7.521 1.138 -4.467
179 H GLY 30 H GLY 30 -3.704 3.829 -4.829
180 1HA GLY 30 2HA GLY 30 -2.691 1.770 -3.159
181 2HA GLY 30 1HA GLY 30 -2.343 1.330 -4.831
182 H LEU 31 H LEU 31 -0.216 1.873 -3.099
183 HA LEU 31 HA LEU 31 0.645 4.584 -3.067
184 1HB LEU 31 2HB LEU 31 1.840 1.983 -2.578
185 2HB LEU 31 1HB LEU 31 2.982 3.133 -3.246
186 HG LEU 31 HG LEU 31 1.251 3.525 -0.789
187 1HD1 LEU 31 1HD1 LEU 31 4.116 2.849 -1.292
188 2HD1 LEU 31 2HD1 LEU 31 3.046 2.306 0.001
189 3HD1 LEU 31 3HD1 LEU 31 3.753 3.921 0.060
190 1HD2 LEU 31 1HD2 LEU 31 2.940 5.391 -2.433
191 2HD2 LEU 31 2HD2 LEU 31 2.810 5.644 -0.692
192 3HD2 LEU 31 3HD2 LEU 31 1.363 5.677 -1.698
193 H CYS 32 H CYS 32 0.937 2.058 -5.510
194 HA CYS 32 HA CYS 32 2.218 4.069 -7.318
195 1HB CYS 32 2HB CYS 32 2.280 1.165 -8.005
196 2HB CYS 32 1HB CYS 32 3.496 2.410 -8.281
197 H CYS 33 H CYS 33 -0.600 4.051 -6.950
198 HA CYS 33 HA CYS 33 -1.603 2.697 -9.410
199 1HB CYS 33 2HB CYS 33 -2.978 2.159 -7.533
200 2HB CYS 33 1HB CYS 33 -2.999 3.830 -6.976
201 H GLU 34 H GLU 34 -0.945 4.139 -11.017
202 HA GLU 34 HA GLU 34 -1.055 6.975 -10.880
203 1HB GLU 34 2HB GLU 34 -0.223 5.128 -12.737
204 2HB GLU 34 1HB GLU 34 -1.642 5.826 -13.510
205 1HG GLU 34 2HG GLU 34 -0.712 8.103 -13.064
206 2HG GLU 34 1HG GLU 34 0.751 7.339 -12.441
207 H GLN 35 H GLN 35 -2.632 7.981 -12.859
208 HA GLN 35 HA GLN 35 -5.206 8.136 -11.676
209 1HB GLN 35 2HB GLN 35 -4.284 8.727 -14.502
210 2HB GLN 35 1HB GLN 35 -5.900 9.107 -13.912
211 1HG GLN 35 2HG GLN 35 -5.087 10.683 -12.348
212 2HG GLN 35 1HG GLN 35 -3.439 10.060 -12.451
213 1HE2 GLN 35 1HE2 GLN 35 -2.132 10.701 -14.299
214 2HE2 GLN 35 2HE2 GLN 35 -2.618 11.944 -15.349
215 H CYS 36 H CYS 36 -5.942 5.971 -11.328
216 HA CYS 36 HA CYS 36 -6.963 3.938 -11.904
217 1HB CYS 36 2HB CYS 36 -7.893 5.874 -14.012
218 2HB CYS 36 1HB CYS 36 -8.370 4.183 -14.096
219 H LYS 37 H LYS 37 -4.296 3.906 -12.504
220 HA LYS 37 HA LYS 37 -4.226 2.062 -14.787
221 1HB LYS 37 2HB LYS 37 -3.191 4.831 -14.934
222 2HB LYS 37 1HB LYS 37 -2.065 3.585 -15.475
223 1HG LYS 37 2HG LYS 37 -4.304 2.705 -16.696
224 2HG LYS 37 1HG LYS 37 -4.661 4.432 -16.654
225 1HD LYS 37 2HD LYS 37 -3.266 4.759 -18.385
226 2HD LYS 37 1HD LYS 37 -1.930 4.131 -17.418
227 1HE LYS 37 2HE LYS 37 -3.717 2.036 -18.437
228 2HE LYS 37 1HE LYS 37 -2.909 2.950 -19.710
229 1HZ LYS 37 1HZ LYS 37 -1.811 1.093 -17.810
230 2HZ LYS 37 2HZ LYS 37 -0.937 2.546 -17.908
231 3HZ LYS 37 3HZ LYS 37 -1.194 1.610 -19.303
232 H PHE 38 H PHE 38 -2.529 0.581 -14.555
233 HA PHE 38 HA PHE 38 -1.265 0.391 -11.980
234 1HB PHE 38 2HB PHE 38 -1.024 -1.071 -14.584
235 2HB PHE 38 1HB PHE 38 0.227 -1.309 -13.366
236 HD1 PHE 38 HD1 PHE 38 -2.234 -3.094 -14.544
237 HD2 PHE 38 HD2 PHE 38 -1.371 -1.063 -10.858
238 HE1 PHE 38 HE1 PHE 38 -3.718 -4.667 -13.329
239 HE2 PHE 38 HE2 PHE 38 -2.853 -2.635 -9.644
240 HZ PHE 38 HZ PHE 38 -4.027 -4.438 -10.879
241 H SER 39 H SER 39 0.566 1.388 -11.281
242 HA SER 39 HA SER 39 2.015 3.230 -12.940
243 1HB SER 39 2HB SER 39 3.606 3.335 -11.045
244 2HB SER 39 1HB SER 39 1.939 3.449 -10.487
245 HG SER 39 HG SER 39 3.828 1.545 -10.004
246 H ARG 40 H ARG 40 4.382 2.991 -13.464
247 HA ARG 40 HA ARG 40 4.841 0.379 -14.670
248 1HB ARG 40 2HB ARG 40 6.744 1.397 -15.733
249 2HB ARG 40 1HB ARG 40 5.443 2.589 -15.763
250 1HG ARG 40 2HG ARG 40 6.384 3.609 -13.688
251 2HG ARG 40 1HG ARG 40 7.731 2.475 -13.776
252 1HD ARG 40 2HD ARG 40 7.823 3.452 -16.289
253 2HD ARG 40 1HD ARG 40 7.149 4.855 -15.460
254 HE ARG 40 HE ARG 40 9.850 3.746 -15.063
255 1HH1 ARG 40 1HH1 ARG 40 7.488 4.975 -13.037
256 2HH1 ARG 40 2HH1 ARG 40 8.416 6.324 -12.472
257 1HH2 ARG 40 1HH2 ARG 40 10.986 5.847 -14.752
258 2HH2 ARG 40 2HH2 ARG 40 10.397 6.818 -13.444
259 H ALA 41 H ALA 41 6.515 -1.070 -14.076
260 HA ALA 41 HA ALA 41 7.118 -1.327 -11.329
261 1HB ALA 41 1HB ALA 41 9.037 -2.336 -13.412
262 2HB ALA 41 2HB ALA 41 7.409 -3.012 -13.327
263 3HB ALA 41 3HB ALA 41 8.485 -3.126 -11.934
264 H GLY 42 H GLY 42 9.683 -1.498 -10.738
265 1HA GLY 42 2HA GLY 42 11.585 -0.246 -10.192
266 2HA GLY 42 1HA GLY 42 11.435 0.482 -11.790
267 H LYS 43 H LYS 43 8.640 0.759 -9.817
268 HA LYS 43 HA LYS 43 9.111 3.657 -9.588
269 1HB LYS 43 2HB LYS 43 6.910 3.166 -10.320
270 2HB LYS 43 1HB LYS 43 6.721 1.870 -9.141
271 1HG LYS 43 2HG LYS 43 5.448 3.718 -8.297
272 2HG LYS 43 1HG LYS 43 6.912 3.666 -7.329
273 1HD LYS 43 2HD LYS 43 7.655 5.655 -8.122
274 2HD LYS 43 1HD LYS 43 7.173 5.276 -9.776
275 1HE LYS 43 2HE LYS 43 5.461 6.718 -9.500
276 2HE LYS 43 1HE LYS 43 4.757 5.543 -8.390
277 1HZ LYS 43 1HZ LYS 43 5.087 7.839 -7.477
278 2HZ LYS 43 2HZ LYS 43 6.762 7.556 -7.544
279 3HZ LYS 43 3HZ LYS 43 5.773 6.589 -6.557
280 H ILE 44 H ILE 44 9.844 4.570 -7.679
281 HA ILE 44 HA ILE 44 10.224 2.800 -5.381
282 HB ILE 44 HB ILE 44 11.483 5.119 -6.328
283 1HG1 ILE 44 2HG1 ILE 44 12.429 3.130 -5.121
284 2HG1 ILE 44 1HG1 ILE 44 13.042 4.677 -4.533
285 1HG2 ILE 44 1HG2 ILE 44 9.960 6.595 -5.183
286 2HG2 ILE 44 2HG2 ILE 44 11.464 6.559 -4.260
287 3HG2 ILE 44 3HG2 ILE 44 10.066 5.638 -3.706
288 1HD1 ILE 44 1HD1 ILE 44 10.577 3.742 -3.202
289 2HD1 ILE 44 2HD1 ILE 44 12.034 4.450 -2.504
290 3HD1 ILE 44 3HD1 ILE 44 11.997 2.736 -2.916
291 H CYS 45 H CYS 45 8.443 2.279 -4.283
292 HA CYS 45 HA CYS 45 6.236 4.213 -3.898
293 1HB CYS 45 2HB CYS 45 5.183 2.264 -2.701
294 2HB CYS 45 1HB CYS 45 5.586 1.945 -4.383
295 H ARG 46 H ARG 46 8.985 2.958 -2.201
296 HA ARG 46 HA ARG 46 8.352 4.716 0.073
297 1HB ARG 46 2HB ARG 46 7.802 1.898 0.145
298 2HB ARG 46 1HB ARG 46 9.107 2.257 1.277
299 1HG ARG 46 2HG ARG 46 7.753 4.012 2.325
300 2HG ARG 46 1HG ARG 46 6.459 3.736 1.158
301 1HD ARG 46 2HD ARG 46 6.202 1.425 1.982
302 2HD ARG 46 1HD ARG 46 7.500 1.695 3.146
303 HE ARG 46 HE ARG 46 5.653 3.721 3.656
304 1HH1 ARG 46 1HH1 ARG 46 4.301 0.927 2.669
305 2HH1 ARG 46 2HH1 ARG 46 3.651 0.440 4.197
306 1HH2 ARG 46 1HH2 ARG 46 5.400 2.831 6.002
307 2HH2 ARG 46 2HH2 ARG 46 4.273 1.518 6.087
308 H ILE 47 H ILE 47 10.178 5.262 1.306
309 HA ILE 47 HA ILE 47 12.773 4.500 0.072
310 HB ILE 47 HB ILE 47 12.287 6.916 0.350
311 1HG1 ILE 47 2HG1 ILE 47 14.355 7.512 1.623
312 2HG1 ILE 47 1HG1 ILE 47 14.465 5.842 2.176
313 1HG2 ILE 47 1HG2 ILE 47 11.296 6.026 2.865
314 2HG2 ILE 47 2HG2 ILE 47 11.271 7.663 2.210
315 3HG2 ILE 47 3HG2 ILE 47 12.636 7.127 3.189
316 1HD1 ILE 47 1HD1 ILE 47 14.680 6.870 -0.662
317 2HD1 ILE 47 2HD1 ILE 47 14.462 5.162 -0.284
318 3HD1 ILE 47 3HD1 ILE 47 15.906 6.010 0.269
319 H ALA 48 H ALA 48 14.595 4.050 1.647
320 HA ALA 48 HA ALA 48 13.549 2.584 4.003
321 1HB ALA 48 1HB ALA 48 15.783 1.970 2.103
322 2HB ALA 48 2HB ALA 48 14.440 0.938 2.597
323 3HB ALA 48 3HB ALA 48 15.756 1.269 3.722
324 H ARG 49 H ARG 49 14.286 3.151 5.967
325 HA ARG 49 HA ARG 49 16.729 4.865 6.087
326 1HB ARG 49 2HB ARG 49 15.674 5.982 8.031
327 2HB ARG 49 1HB ARG 49 14.847 6.299 6.511
328 1HG ARG 49 2HG ARG 49 13.748 3.913 7.644
329 2HG ARG 49 1HG ARG 49 13.760 5.157 8.895
330 1HD ARG 49 2HD ARG 49 12.505 6.672 7.525
331 2HD ARG 49 1HD ARG 49 12.719 5.660 6.097
332 HE ARG 49 HE ARG 49 11.361 4.223 8.212
333 1HH1 ARG 49 1HH2 ARG 49 11.058 6.463 5.602
334 2HH1 ARG 49 2HH2 ARG 49 9.357 6.205 5.408
335 1HH2 ARG 49 1HH1 ARG 49 9.130 3.930 8.013
336 2HH2 ARG 49 2HH1 ARG 49 8.266 4.774 6.771
337 H GLY 50 H GLY 50 15.253 2.020 7.046
338 1HA GLY 50 2HA GLY 50 17.077 1.726 9.373
339 2HA GLY 50 1HA GLY 50 15.539 0.864 9.241
340 H ASP 51 H ASP 51 15.465 -0.991 7.925
341 HA ASP 51 HA ASP 51 17.910 -2.253 7.111
342 1HB ASP 51 2HB ASP 51 15.042 -2.712 6.810
343 2HB ASP 51 1HB ASP 51 15.962 -3.214 5.403
344 H TRP 52 H TRP 52 18.010 -2.682 4.404
345 HA TRP 52 HA TRP 52 17.119 -0.177 3.180
346 1HB TRP 52 2HB TRP 52 19.990 -0.872 3.587
347 2HB TRP 52 1HB TRP 52 19.483 0.193 2.261
348 HD1 TRP 52 HD1 TRP 52 17.405 1.998 3.238
349 HE1 TRP 52 HE1 TRP 52 17.620 3.544 5.252
350 HE3 TRP 52 HE3 TRP 52 21.086 -0.409 5.794
351 HZ2 TRP 52 HZ2 TRP 52 19.089 3.749 7.628
352 HZ3 TRP 52 HZ3 TRP 52 21.875 0.491 7.978
353 HH2 TRP 52 HH2 TRP 52 20.869 2.573 8.904
354 H ASN 53 H ASN 53 15.920 -0.906 1.726
355 HA ASN 53 HA ASN 53 16.944 -2.072 -0.702
356 1HB ASN 53 2HB ASN 53 16.379 -4.007 1.126
357 2HB ASN 53 1HB ASN 53 14.771 -3.763 0.441
358 1HD2 ASN 53 1HD2 ASN 53 14.408 -5.208 -1.244
359 2HD2 ASN 53 2HD2 ASN 53 15.577 -5.715 -2.368
360 H ASP 54 H ASP 54 15.979 -0.130 -1.480
361 HA ASP 54 HA ASP 54 13.435 0.859 -0.794
362 1HB ASP 54 2HB ASP 54 13.546 1.780 -3.269
363 2HB ASP 54 1HB ASP 54 14.683 2.365 -2.055
364 H ASP 55 H ASP 55 11.403 0.222 -1.253
365 HA ASP 55 HA ASP 55 10.959 -2.208 -2.800
366 1HB ASP 55 2HB ASP 55 9.428 -0.517 -0.967
367 2HB ASP 55 1HB ASP 55 8.466 -1.191 -2.280
368 H ARG 56 H ARG 56 10.975 -2.048 -5.010
369 HA ARG 56 HA ARG 56 9.932 0.447 -6.233
370 1HB ARG 56 2HB ARG 56 11.694 -1.746 -7.266
371 2HB ARG 56 1HB ARG 56 11.014 -0.513 -8.321
372 1HG ARG 56 2HG ARG 56 12.171 0.714 -5.974
373 2HG ARG 56 1HG ARG 56 13.363 -0.318 -6.764
374 1HD ARG 56 2HD ARG 56 12.852 0.794 -8.931
375 2HD ARG 56 1HD ARG 56 11.732 1.866 -8.092
376 HE ARG 56 HE ARG 56 13.811 2.574 -6.731
377 1HH1 ARG 56 1HH2 ARG 56 13.438 2.534 -10.051
378 2HH1 ARG 56 2HH2 ARG 56 15.106 2.812 -10.426
379 1HH2 ARG 56 1HH1 ARG 56 16.184 2.415 -7.157
380 2HH2 ARG 56 2HH1 ARG 56 16.659 2.744 -8.789
381 H CYS 57 H CYS 57 7.724 0.174 -6.438
382 HA CYS 57 HA CYS 57 6.107 -1.999 -6.724
383 1HB CYS 57 2HB CYS 57 5.651 0.080 -8.830
384 2HB CYS 57 1HB CYS 57 4.494 -0.681 -7.747
385 H THR 58 H THR 58 5.393 -3.357 -8.445
386 HA THR 58 HA THR 58 7.473 -3.869 -10.473
387 HB THR 58 HB THR 58 6.471 -5.976 -10.756
388 HG1 THR 58 HG1 THR 58 4.379 -6.236 -10.759
389 1HG2 THR 58 1HG2 THR 58 5.343 -5.945 -8.096
390 2HG2 THR 58 2HG2 THR 58 6.836 -5.008 -8.131
391 3HG2 THR 58 3HG2 THR 58 6.840 -6.691 -8.655
392 H GLY 59 H GLY 59 5.899 -4.882 -12.556
393 1HA GLY 59 2HA GLY 59 4.983 -2.374 -13.778
394 2HA GLY 59 1HA GLY 59 5.104 -3.937 -14.587
395 H GLN 60 H GLN 60 3.570 -5.029 -12.105
396 HA GLN 60 HA GLN 60 0.864 -4.054 -12.919
397 1HB GLN 60 2HB GLN 60 1.524 -6.927 -12.222
398 2HB GLN 60 1HB GLN 60 0.023 -6.303 -12.909
399 1HG GLN 60 2HG GLN 60 1.812 -5.415 -14.756
400 2HG GLN 60 1HG GLN 60 2.600 -6.906 -14.239
401 1HE2 GLN 60 1HE2 GLN 60 2.071 -8.416 -15.845
402 2HE2 GLN 60 2HE2 GLN 60 0.495 -8.723 -16.394
403 H SER 61 H SER 61 2.521 -3.275 -10.637
404 HA SER 61 HA SER 61 0.880 -4.410 -8.408
405 1HB SER 61 2HB SER 61 2.807 -4.684 -7.269
406 2HB SER 61 1HB SER 61 3.698 -4.135 -8.685
407 HG SER 61 HG SER 61 3.975 -2.900 -6.669
408 H ALA 62 H ALA 62 -0.653 -2.985 -7.734
409 HA ALA 62 HA ALA 62 -0.265 -0.101 -8.297
410 1HB ALA 62 1HB ALA 62 -2.702 -0.098 -7.290
411 2HB ALA 62 2HB ALA 62 -2.618 -1.831 -7.607
412 3HB ALA 62 3HB ALA 62 -2.428 -0.681 -8.931
413 H ASP 63 H ASP 63 0.104 -2.309 -5.727
414 HA ASP 63 HA ASP 63 -0.048 -0.082 -3.743
415 1HB ASP 63 2HB ASP 63 0.014 -3.007 -3.091
416 2HB ASP 63 1HB ASP 63 -0.459 -1.679 -2.041
417 H CYS 64 H CYS 64 1.524 -1.209 -1.740
418 HA CYS 64 HA CYS 64 4.108 -1.940 -2.956
419 1HB CYS 64 2HB CYS 64 4.270 0.463 -3.060
420 2HB CYS 64 1HB CYS 64 3.684 0.628 -1.407
421 HA PRO 65 HA PRO 65 4.228 -4.186 0.796
422 1HB PRO 65 2HB PRO 65 6.714 -5.241 0.358
423 2HB PRO 65 1HB PRO 65 5.258 -5.849 -0.428
424 1HG PRO 65 2HG PRO 65 7.487 -4.233 -1.552
425 2HG PRO 65 1HG PRO 65 6.352 -5.312 -2.382
426 1HD PRO 65 2HD PRO 65 6.232 -2.482 -2.316
427 2HD PRO 65 1HD PRO 65 4.963 -3.581 -2.899
428 H ARG 66 H ARG 66 6.735 -4.644 2.117
429 HA ARG 66 HA ARG 66 8.051 -2.089 2.560
430 1HB ARG 66 2HB ARG 66 7.438 -2.029 5.006
431 2HB ARG 66 1HB ARG 66 6.095 -1.673 3.920
432 1HG ARG 66 2HG ARG 66 6.073 -4.463 4.191
433 2HG ARG 66 1HG ARG 66 6.386 -3.854 5.816
434 1HD ARG 66 2HD ARG 66 4.403 -2.164 4.734
435 2HD ARG 66 1HD ARG 66 3.921 -3.806 4.309
436 HE ARG 66 HE ARG 66 3.951 -4.354 6.715
437 1HH1 ARG 66 1HH2 ARG 66 2.363 -1.688 6.029
438 2HH1 ARG 66 2HH2 ARG 66 2.719 -0.790 7.468
439 1HH2 ARG 66 1HH1 ARG 66 5.253 -2.923 8.491
440 2HH2 ARG 66 2HH1 ARG 66 4.354 -1.489 8.861
441 H TYR 67 H TYR 67 10.142 -2.656 2.892
442 HA TYR 67 HA TYR 67 10.678 -5.250 4.222
443 1HB TYR 67 2HB TYR 67 11.782 -3.982 1.838
444 2HB TYR 67 1HB TYR 67 13.020 -4.570 2.945
445 HD1 TYR 67 HD1 TYR 67 9.704 -5.681 1.569
446 HD2 TYR 67 HD2 TYR 67 13.705 -6.778 2.682
447 HE1 TYR 67 HE1 TYR 67 9.282 -8.001 0.798
448 HE2 TYR 67 HE2 TYR 67 13.282 -9.099 1.913
449 HH TYR 67 HH TYR 67 11.748 -10.251 0.306
450 H HIS 68 HN HIS 68 11.124 -1.847 4.343
451 HA HIS 68 HA HIS 68 13.163 -2.167 6.508
452 1HB HIS 68 2HB HIS 68 13.233 0.486 5.997
453 2HB HIS 68 1HB HIS 68 14.241 -0.674 5.134
454 HD1 HIS 68 HD1 HIS 68 13.154 -1.601 2.812
455 HD2 HIS 68 HD2 HIS 68 11.480 1.887 4.363
456 HE1 HIS 68 HE1 HIS 68 11.845 -0.534 0.924
Start of MODEL 12
1 1H GLY 1 1HT GLY 1 -9.192 -15.112 0.149
2 2H GLY 1 2HT GLY 1 -10.545 -15.429 1.129
3 3H GLY 1 3HT GLY 1 -9.650 -14.001 1.346
4 1HA GLY 1 1HA GLY 1 -10.752 -14.435 -1.312
5 2HA GLY 1 2HA GLY 1 -11.907 -14.077 -0.029
6 H LYS 2 H LYS 2 -11.993 -11.984 0.785
7 HA LYS 2 HA LYS 2 -11.618 -9.669 0.843
8 1HB LYS 2 2HB LYS 2 -9.276 -10.760 1.529
9 2HB LYS 2 1HB LYS 2 -8.775 -10.038 -0.001
10 1HG LYS 2 2HG LYS 2 -10.377 -8.125 1.388
11 2HG LYS 2 1HG LYS 2 -9.167 -8.740 2.514
12 1HD LYS 2 2HD LYS 2 -7.708 -8.416 0.193
13 2HD LYS 2 1HD LYS 2 -8.817 -7.045 0.142
14 1HE LYS 2 2HE LYS 2 -7.884 -6.049 1.974
15 2HE LYS 2 1HE LYS 2 -7.572 -7.588 2.777
16 1HZ LYS 2 1HZ LYS 2 -6.011 -6.393 0.554
17 2HZ LYS 2 2HZ LYS 2 -5.757 -7.956 1.167
18 3HZ LYS 2 3HZ LYS 2 -5.501 -6.601 2.158
19 H GLU 3 H GLU 3 -12.835 -9.075 -0.986
20 HA GLU 3 HA GLU 3 -11.265 -8.800 -3.519
21 1HB GLU 3 2HB GLU 3 -13.432 -8.973 -4.716
22 2HB GLU 3 1HB GLU 3 -13.094 -10.422 -3.769
23 1HG GLU 3 2HG GLU 3 -14.428 -8.697 -2.002
24 2HG GLU 3 1HG GLU 3 -15.303 -8.556 -3.527
25 H CYS 4 H CYS 4 -11.147 -6.807 -1.544
26 HA CYS 4 HA CYS 4 -13.017 -4.714 -2.524
27 1HB CYS 4 2HB CYS 4 -11.448 -5.081 -0.019
28 2HB CYS 4 1HB CYS 4 -11.818 -3.441 -0.539
29 H ASP 5 H ASP 5 -11.704 -4.651 -4.571
30 HA ASP 5 HA ASP 5 -9.030 -4.063 -4.893
31 1HB ASP 5 2HB ASP 5 -10.544 -4.171 -6.800
32 2HB ASP 5 1HB ASP 5 -11.357 -2.697 -6.273
33 H CYS 6 H CYS 6 -11.541 -1.856 -3.734
34 HA CYS 6 HA CYS 6 -9.424 -0.144 -2.588
35 1HB CYS 6 2HB CYS 6 -11.113 1.794 -3.583
36 2HB CYS 6 1HB CYS 6 -9.564 1.348 -4.291
37 H SER 7 H SER 7 -10.158 0.995 -0.760
38 HA SER 7 HA SER 7 -12.795 0.085 0.254
39 1HB SER 7 2HB SER 7 -11.540 1.563 2.259
40 2HB SER 7 1HB SER 7 -11.547 -0.192 2.111
41 HG SER 7 HG SER 7 -9.514 -0.088 1.622
42 H SER 8 H SER 8 -12.904 2.065 -1.775
43 HA SER 8 HA SER 8 -14.154 4.257 -0.218
44 1HB SER 8 2HB SER 8 -13.025 5.660 -2.291
45 2HB SER 8 1HB SER 8 -12.372 5.588 -0.656
46 HG SER 8 HG SER 8 -11.778 3.572 -2.531
47 HA PRO 9 HA PRO 9 -17.020 3.165 -3.504
48 1HB PRO 9 2HB PRO 9 -19.178 4.390 -2.317
49 2HB PRO 9 1HB PRO 9 -18.612 2.766 -1.885
50 1HG PRO 9 2HG PRO 9 -18.304 5.324 -0.383
51 2HG PRO 9 1HG PRO 9 -18.345 3.661 0.227
52 1HD PRO 9 2HD PRO 9 -16.020 5.234 -0.129
53 2HD PRO 9 1HD PRO 9 -16.061 3.480 0.148
54 H GLU 10 H GLU 10 -16.147 6.282 -2.241
55 HA GLU 10 HA GLU 10 -17.637 7.816 -4.241
56 1HB GLU 10 2HB GLU 10 -15.736 8.415 -2.021
57 2HB GLU 10 1HB GLU 10 -15.841 9.593 -3.330
58 1HG GLU 10 2HG GLU 10 -18.502 8.854 -2.736
59 2HG GLU 10 1HG GLU 10 -17.707 9.111 -1.181
60 H ASN 11 H ASN 11 -14.528 6.302 -3.953
61 HA ASN 11 HA ASN 11 -13.067 7.759 -5.897
62 1HB ASN 11 2HB ASN 11 -11.758 6.283 -4.655
63 2HB ASN 11 1HB ASN 11 -12.941 4.984 -4.766
64 1HD2 ASN 11 1HD2 ASN 11 -11.171 3.547 -5.517
65 2HD2 ASN 11 2HD2 ASN 11 -10.620 3.639 -7.119
66 HA PRO 12 HA PRO 12 -15.356 6.528 -9.503
67 1HB PRO 12 2HB PRO 12 -13.684 7.718 -11.331
68 2HB PRO 12 1HB PRO 12 -14.867 8.609 -10.357
69 1HG PRO 12 2HG PRO 12 -11.903 8.485 -10.060
70 2HG PRO 12 1HG PRO 12 -13.027 9.764 -9.572
71 1HD PRO 12 2HD PRO 12 -11.856 7.837 -7.858
72 2HD PRO 12 1HD PRO 12 -13.211 8.911 -7.454
73 H CYS 13 H CYS 13 -13.410 4.592 -8.381
74 HA CYS 13 HA CYS 13 -12.801 3.157 -10.882
75 1HB CYS 13 2HB CYS 13 -10.791 4.571 -9.468
76 2HB CYS 13 1HB CYS 13 -10.540 2.857 -9.145
77 H CYS 14 H CYS 14 -14.398 3.065 -8.180
78 HA CYS 14 HA CYS 14 -13.638 0.245 -7.540
79 1HB CYS 14 2HB CYS 14 -13.668 2.425 -5.798
80 2HB CYS 14 1HB CYS 14 -15.196 1.606 -5.479
81 H ASP 15 H ASP 15 -15.524 -1.037 -6.731
82 HA ASP 15 HA ASP 15 -18.114 -0.096 -7.853
83 1HB ASP 15 2HB ASP 15 -16.627 -1.892 -9.201
84 2HB ASP 15 1HB ASP 15 -17.479 -2.969 -8.102
85 H ALA 16 H ALA 16 -19.177 0.170 -5.923
86 HA ALA 16 HA ALA 16 -18.792 -1.312 -3.555
87 1HB ALA 16 1HB ALA 16 -21.571 -0.447 -4.097
88 2HB ALA 16 2HB ALA 16 -20.349 0.815 -4.250
89 3HB ALA 16 3HB ALA 16 -20.521 -0.069 -2.732
90 H ALA 17 H ALA 17 -20.395 -2.199 -6.488
91 HA ALA 17 HA ALA 17 -22.234 -4.134 -5.504
92 1HB ALA 17 1HB ALA 17 -20.837 -4.894 -7.982
93 2HB ALA 17 2HB ALA 17 -21.471 -3.248 -8.002
94 3HB ALA 17 3HB ALA 17 -22.555 -4.608 -7.704
95 H THR 18 H THR 18 -18.772 -4.365 -6.268
96 HA THR 18 HA THR 18 -18.701 -6.872 -4.662
97 HB THR 18 HB THR 18 -17.855 -8.154 -6.335
98 HG1 THR 18 HG1 THR 18 -16.421 -6.971 -7.956
99 1HG2 THR 18 1HG2 THR 18 -18.562 -5.906 -8.224
100 2HG2 THR 18 2HG2 THR 18 -19.799 -6.852 -7.395
101 3HG2 THR 18 3HG2 THR 18 -18.678 -7.645 -8.503
102 H CYS 19 H CYS 19 -17.893 -3.970 -4.269
103 HA CYS 19 HA CYS 19 -16.056 -2.794 -3.351
104 1HB CYS 19 2HB CYS 19 -16.318 -5.125 -1.995
105 2HB CYS 19 1HB CYS 19 -14.693 -5.286 -2.606
106 H LYS 20 H LYS 20 -15.789 -4.202 -6.178
107 HA LYS 20 HA LYS 20 -12.806 -3.940 -6.206
108 1HB LYS 20 2HB LYS 20 -14.541 -6.068 -7.161
109 2HB LYS 20 1HB LYS 20 -13.460 -5.479 -8.426
110 1HG LYS 20 2HG LYS 20 -11.691 -5.591 -6.418
111 2HG LYS 20 1HG LYS 20 -12.812 -6.822 -5.838
112 1HD LYS 20 2HD LYS 20 -12.614 -7.534 -8.455
113 2HD LYS 20 1HD LYS 20 -11.001 -6.874 -8.180
114 1HE LYS 20 2HE LYS 20 -10.645 -8.364 -6.303
115 2HE LYS 20 1HE LYS 20 -12.312 -8.932 -6.383
116 1HZ LYS 20 1HZ LYS 20 -10.110 -9.950 -7.727
117 2HZ LYS 20 2HZ LYS 20 -11.089 -9.216 -8.905
118 3HZ LYS 20 3HZ LYS 20 -11.730 -10.421 -7.893
119 H LEU 21 H LEU 21 -11.940 -3.431 -8.417
120 HA LEU 21 HA LEU 21 -12.534 -0.943 -9.328
121 1HB LEU 21 2HB LEU 21 -11.535 -3.372 -10.764
122 2HB LEU 21 1HB LEU 21 -11.869 -1.910 -11.693
123 HG LEU 21 HG LEU 21 -10.112 -1.992 -9.228
124 1HD1 LEU 21 1HD1 LEU 21 -8.464 -1.399 -11.318
125 2HD1 LEU 21 2HD1 LEU 21 -9.575 -2.533 -12.086
126 3HD1 LEU 21 3HD1 LEU 21 -8.663 -3.022 -10.657
127 1HD2 LEU 21 1HD2 LEU 21 -10.266 0.246 -9.339
128 2HD2 LEU 21 2HD2 LEU 21 -11.329 0.122 -10.741
129 3HD2 LEU 21 3HD2 LEU 21 -9.580 0.196 -10.962
130 H ARG 22 H ARG 22 -14.224 0.058 -10.267
131 HA ARG 22 HA ARG 22 -16.524 -1.556 -11.135
132 1HB ARG 22 2HB ARG 22 -17.424 0.253 -10.073
133 2HB ARG 22 1HB ARG 22 -16.036 1.278 -10.411
134 1HG ARG 22 2HG ARG 22 -16.872 1.959 -12.468
135 2HG ARG 22 1HG ARG 22 -17.808 0.482 -12.693
136 1HD ARG 22 2HD ARG 22 -18.856 1.675 -10.373
137 2HD ARG 22 1HD ARG 22 -18.631 2.999 -11.516
138 HE ARG 22 HE ARG 22 -20.785 1.301 -11.693
139 1HH1 ARG 22 1HH1 ARG 22 -20.033 3.300 -13.846
140 2HH1 ARG 22 2HH1 ARG 22 -19.901 2.273 -15.235
141 1HH2 ARG 22 1HH2 ARG 22 -19.742 -0.656 -13.390
142 2HH2 ARG 22 2HH2 ARG 22 -19.738 0.036 -14.978
143 HA PRO 23 HA PRO 23 -15.397 0.499 -15.289
144 1HB PRO 23 2HB PRO 23 -13.120 2.031 -15.400
145 2HB PRO 23 1HB PRO 23 -14.717 2.681 -14.987
146 1HG PRO 23 2HG PRO 23 -12.389 2.157 -13.208
147 2HG PRO 23 1HG PRO 23 -13.730 3.294 -12.995
148 1HD PRO 23 2HD PRO 23 -13.444 0.762 -11.732
149 2HD PRO 23 1HD PRO 23 -14.890 1.794 -11.716
150 H GLY 24 H GLY 24 -13.128 0.544 -16.813
151 1HA GLY 24 2HA GLY 24 -12.029 -2.171 -16.387
152 2HA GLY 24 1HA GLY 24 -11.881 -1.219 -17.864
153 H ALA 25 H ALA 25 -11.249 0.430 -14.908
154 HA ALA 25 HA ALA 25 -8.613 1.186 -15.637
155 1HB ALA 25 1HB ALA 25 -9.835 2.483 -14.009
156 2HB ALA 25 2HB ALA 25 -8.401 1.837 -13.213
157 3HB ALA 25 3HB ALA 25 -9.974 1.092 -12.934
158 H GLN 26 H GLN 26 -6.681 0.657 -14.083
159 HA GLN 26 HA GLN 26 -6.545 -2.310 -13.893
160 1HB GLN 26 2HB GLN 26 -4.682 -0.222 -14.688
161 2HB GLN 26 1HB GLN 26 -3.977 -1.338 -13.518
162 1HG GLN 26 2HG GLN 26 -3.556 -2.488 -15.491
163 2HG GLN 26 1HG GLN 26 -5.134 -3.152 -15.064
164 1HE2 GLN 26 1HE2 GLN 26 -3.412 -1.487 -17.523
165 2HE2 GLN 26 2HE2 GLN 26 -4.746 -1.044 -18.475
166 H CYS 27 H CYS 27 -7.058 0.336 -11.954
167 HA CYS 27 HA CYS 27 -6.902 -1.112 -9.522
168 1HB CYS 27 2HB CYS 27 -4.942 -0.029 -8.472
169 2HB CYS 27 1HB CYS 27 -4.467 -1.003 -9.863
170 H GLY 28 H GLY 28 -7.463 0.253 -7.671
171 1HA GLY 28 2HA GLY 28 -8.674 2.837 -8.558
172 2HA GLY 28 1HA GLY 28 -9.280 1.859 -7.221
173 H GLU 29 H GLU 29 -6.356 1.386 -6.437
174 HA GLU 29 HA GLU 29 -5.132 3.861 -5.761
175 1HB GLU 29 2HB GLU 29 -5.839 4.255 -3.517
176 2HB GLU 29 1HB GLU 29 -7.324 4.016 -4.437
177 1HG GLU 29 2HG GLU 29 -7.773 2.555 -2.725
178 2HG GLU 29 1HG GLU 29 -6.841 1.460 -3.746
179 H GLY 30 H GLY 30 -3.103 3.417 -4.899
180 1HA GLY 30 2HA GLY 30 -2.560 1.066 -3.319
181 2HA GLY 30 1HA GLY 30 -2.006 0.861 -4.978
182 H LEU 31 H LEU 31 0.113 0.754 -3.623
183 HA LEU 31 HA LEU 31 1.148 3.293 -2.638
184 1HB LEU 31 2HB LEU 31 1.880 0.580 -2.424
185 2HB LEU 31 1HB LEU 31 3.219 1.404 -3.205
186 HG LEU 31 HG LEU 31 3.391 1.451 -0.718
187 1HD1 LEU 31 1HD1 LEU 31 4.004 3.764 -0.590
188 2HD1 LEU 31 2HD1 LEU 31 2.834 4.211 -1.831
189 3HD1 LEU 31 3HD1 LEU 31 4.270 3.285 -2.266
190 1HD2 LEU 31 1HD2 LEU 31 0.629 2.171 -0.997
191 2HD2 LEU 31 2HD2 LEU 31 1.471 3.495 -0.192
192 3HD2 LEU 31 3HD2 LEU 31 1.533 1.869 0.488
193 H CYS 32 H CYS 32 0.948 1.770 -5.709
194 HA CYS 32 HA CYS 32 2.481 3.999 -6.880
195 1HB CYS 32 2HB CYS 32 3.715 2.224 -8.334
196 2HB CYS 32 1HB CYS 32 4.311 2.550 -6.707
197 H CYS 33 H CYS 33 0.058 4.240 -7.441
198 HA CYS 33 HA CYS 33 -0.367 2.893 -10.068
199 1HB CYS 33 2HB CYS 33 -1.929 2.429 -7.734
200 2HB CYS 33 1HB CYS 33 -2.919 3.371 -8.852
201 H GLU 34 H GLU 34 -0.845 4.340 -11.638
202 HA GLU 34 HA GLU 34 -1.102 7.167 -10.947
203 1HB GLU 34 2HB GLU 34 -1.663 6.469 -13.729
204 2HB GLU 34 1HB GLU 34 -0.478 7.589 -13.076
205 1HG GLU 34 2HG GLU 34 -0.182 4.578 -13.292
206 2HG GLU 34 1HG GLU 34 0.686 5.791 -14.225
207 H GLN 35 H GLN 35 -2.887 8.012 -12.984
208 HA GLN 35 HA GLN 35 -5.363 7.926 -11.623
209 1HB GLN 35 2HB GLN 35 -4.601 8.622 -14.457
210 2HB GLN 35 1HB GLN 35 -6.281 8.674 -13.925
211 1HG GLN 35 2HG GLN 35 -5.192 10.046 -11.901
212 2HG GLN 35 1HG GLN 35 -3.989 10.412 -13.139
213 1HE2 GLN 35 1HE2 GLN 35 -5.259 10.882 -15.425
214 2HE2 GLN 35 2HE2 GLN 35 -6.507 12.023 -15.274
215 H CYS 36 H CYS 36 -5.864 5.711 -11.181
216 HA CYS 36 HA CYS 36 -6.785 3.600 -11.643
217 1HB CYS 36 2HB CYS 36 -7.960 5.350 -13.810
218 2HB CYS 36 1HB CYS 36 -8.426 3.665 -13.611
219 H LYS 37 H LYS 37 -4.155 3.834 -12.520
220 HA LYS 37 HA LYS 37 -4.168 1.920 -14.766
221 1HB LYS 37 2HB LYS 37 -2.935 4.670 -14.898
222 2HB LYS 37 1HB LYS 37 -2.274 3.337 -15.844
223 1HG LYS 37 2HG LYS 37 -5.161 4.268 -15.921
224 2HG LYS 37 1HG LYS 37 -3.942 4.634 -17.142
225 1HD LYS 37 2HD LYS 37 -3.676 1.946 -17.034
226 2HD LYS 37 1HD LYS 37 -5.382 2.092 -16.610
227 1HE LYS 37 2HE LYS 37 -5.969 2.841 -18.686
228 2HE LYS 37 1HE LYS 37 -4.486 3.776 -18.878
229 1HZ LYS 37 1HZ LYS 37 -4.895 1.616 -20.262
230 2HZ LYS 37 2HZ LYS 37 -4.312 0.849 -18.861
231 3HZ LYS 37 3HZ LYS 37 -3.347 1.986 -19.675
232 H PHE 38 H PHE 38 -2.723 0.335 -14.239
233 HA PHE 38 HA PHE 38 -1.182 0.288 -11.900
234 1HB PHE 38 2HB PHE 38 -0.989 -1.186 -14.507
235 2HB PHE 38 1HB PHE 38 0.293 -1.382 -13.316
236 HD1 PHE 38 HD1 PHE 38 -1.177 -1.190 -10.770
237 HD2 PHE 38 HD2 PHE 38 -2.224 -3.193 -14.422
238 HE1 PHE 38 HE1 PHE 38 -2.589 -2.778 -9.494
239 HE2 PHE 38 HE2 PHE 38 -3.639 -4.780 -13.147
240 HZ PHE 38 HZ PHE 38 -3.823 -4.572 -10.682
241 H SER 39 H SER 39 0.646 1.372 -11.298
242 HA SER 39 HA SER 39 1.958 3.216 -13.050
243 1HB SER 39 2HB SER 39 2.930 1.988 -10.479
244 2HB SER 39 1HB SER 39 3.694 3.347 -11.282
245 HG SER 39 HG SER 39 2.303 4.196 -9.794
246 H ARG 40 H ARG 40 4.562 2.906 -13.206
247 HA ARG 40 HA ARG 40 4.871 0.325 -14.602
248 1HB ARG 40 2HB ARG 40 5.647 2.971 -15.225
249 2HB ARG 40 1HB ARG 40 7.128 2.061 -14.929
250 1HG ARG 40 2HG ARG 40 6.927 1.120 -16.959
251 2HG ARG 40 1HG ARG 40 5.421 0.370 -16.432
252 1HD ARG 40 2HD ARG 40 4.708 3.019 -16.930
253 2HD ARG 40 1HD ARG 40 5.825 2.625 -18.238
254 HE ARG 40 HE ARG 40 4.278 0.972 -19.019
255 1HH1 ARG 40 1HH1 ARG 40 2.677 3.308 -17.421
256 2HH1 ARG 40 2HH1 ARG 40 1.355 2.339 -16.862
257 1HH2 ARG 40 1HH2 ARG 40 2.852 -0.669 -17.718
258 2HH2 ARG 40 2HH2 ARG 40 1.452 0.087 -17.033
259 H ALA 41 H ALA 41 6.797 -0.962 -14.205
260 HA ALA 41 HA ALA 41 7.478 -1.279 -11.488
261 1HB ALA 41 1HB ALA 41 9.692 -2.263 -12.803
262 2HB ALA 41 2HB ALA 41 8.457 -2.318 -14.061
263 3HB ALA 41 3HB ALA 41 8.200 -3.164 -12.536
264 H GLY 42 H GLY 42 10.233 -1.246 -11.180
265 1HA GLY 42 2HA GLY 42 11.881 0.316 -10.520
266 2HA GLY 42 1HA GLY 42 11.605 1.027 -12.108
267 H LYS 43 H LYS 43 9.015 0.699 -9.770
268 HA LYS 43 HA LYS 43 8.946 3.668 -9.605
269 1HB LYS 43 2HB LYS 43 6.901 3.075 -10.507
270 2HB LYS 43 1HB LYS 43 6.858 1.533 -9.662
271 1HG LYS 43 2HG LYS 43 5.683 2.418 -7.959
272 2HG LYS 43 1HG LYS 43 6.804 3.759 -7.788
273 1HD LYS 43 2HD LYS 43 5.162 3.960 -10.204
274 2HD LYS 43 1HD LYS 43 4.210 3.968 -8.719
275 1HE LYS 43 2HE LYS 43 5.020 6.250 -9.515
276 2HE LYS 43 1HE LYS 43 5.412 5.841 -7.845
277 1HZ LYS 43 1HZ LYS 43 7.278 5.276 -10.067
278 2HZ LYS 43 2HZ LYS 43 7.609 5.360 -8.402
279 3HZ LYS 43 3HZ LYS 43 7.266 6.775 -9.275
280 H ILE 44 H ILE 44 9.297 4.620 -7.641
281 HA ILE 44 HA ILE 44 10.013 2.942 -5.377
282 HB ILE 44 HB ILE 44 11.206 5.028 -5.777
283 1HG1 ILE 44 2HG1 ILE 44 10.667 6.158 -3.492
284 2HG1 ILE 44 1HG1 ILE 44 9.519 4.835 -3.281
285 1HG2 ILE 44 1HG2 ILE 44 9.238 6.923 -4.925
286 2HG2 ILE 44 2HG2 ILE 44 8.565 5.985 -6.259
287 3HG2 ILE 44 3HG2 ILE 44 10.088 6.849 -6.468
288 1HD1 ILE 44 1HD1 ILE 44 12.299 4.157 -4.146
289 2HD1 ILE 44 2HD1 ILE 44 11.179 3.230 -3.150
290 3HD1 ILE 44 3HD1 ILE 44 12.040 4.605 -2.460
291 H CYS 45 H CYS 45 8.542 2.055 -4.067
292 HA CYS 45 HA CYS 45 5.907 3.396 -3.712
293 1HB CYS 45 2HB CYS 45 5.295 1.188 -2.623
294 2HB CYS 45 1HB CYS 45 5.677 1.093 -4.339
295 H ARG 46 H ARG 46 8.911 2.782 -2.100
296 HA ARG 46 HA ARG 46 7.943 4.249 0.229
297 1HB ARG 46 2HB ARG 46 7.812 1.406 0.259
298 2HB ARG 46 1HB ARG 46 9.130 1.884 1.329
299 1HG ARG 46 2HG ARG 46 6.882 3.653 1.706
300 2HG ARG 46 1HG ARG 46 6.360 1.978 1.884
301 1HD ARG 46 2HD ARG 46 8.613 1.808 3.301
302 2HD ARG 46 1HD ARG 46 8.321 3.534 3.513
303 HE ARG 46 HE ARG 46 6.466 3.000 4.877
304 1HH1 ARG 46 1HH1 ARG 46 7.933 0.482 5.594
305 2HH1 ARG 46 2HH1 ARG 46 6.740 -0.733 5.278
306 1HH2 ARG 46 1HH2 ARG 46 4.742 1.355 3.360
307 2HH2 ARG 46 2HH2 ARG 46 4.932 -0.238 4.011
308 H ILE 47 H ILE 47 9.916 3.678 2.029
309 HA ILE 47 HA ILE 47 12.456 4.139 0.535
310 HB ILE 47 HB ILE 47 11.731 6.330 1.149
311 1HG1 ILE 47 2HG1 ILE 47 13.587 5.339 3.336
312 2HG1 ILE 47 1HG1 ILE 47 14.094 5.819 1.714
313 1HG2 ILE 47 1HG2 ILE 47 11.140 5.133 3.874
314 2HG2 ILE 47 2HG2 ILE 47 9.953 5.699 2.699
315 3HG2 ILE 47 3HG2 ILE 47 11.031 6.850 3.486
316 1HD1 ILE 47 1HD1 ILE 47 14.430 7.747 3.072
317 2HD1 ILE 47 2HD1 ILE 47 12.866 7.550 3.864
318 3HD1 ILE 47 3HD1 ILE 47 12.942 8.056 2.177
319 H ALA 48 H ALA 48 14.276 3.261 1.543
320 HA ALA 48 HA ALA 48 13.735 1.359 3.705
321 1HB ALA 48 1HB ALA 48 16.014 1.830 1.800
322 2HB ALA 48 2HB ALA 48 15.024 0.387 1.997
323 3HB ALA 48 3HB ALA 48 16.231 0.795 3.212
324 H ARG 49 H ARG 49 15.958 1.224 5.198
325 HA ARG 49 HA ARG 49 15.823 3.423 7.001
326 1HB ARG 49 2HB ARG 49 18.047 1.454 6.697
327 2HB ARG 49 1HB ARG 49 17.686 2.386 8.141
328 1HG ARG 49 2HG ARG 49 16.038 0.182 6.881
329 2HG ARG 49 1HG ARG 49 16.742 0.214 8.497
330 1HD ARG 49 2HD ARG 49 15.245 2.023 9.159
331 2HD ARG 49 1HD ARG 49 14.594 2.120 7.522
332 HE ARG 49 HE ARG 49 13.764 0.236 9.530
333 1HH1 ARG 49 1HH2 ARG 49 14.353 0.711 6.162
334 2HH1 ARG 49 2HH2 ARG 49 13.349 -0.610 5.667
335 1HH2 ARG 49 1HH1 ARG 49 12.510 -1.537 8.901
336 2HH2 ARG 49 2HH1 ARG 49 12.305 -1.882 7.216
337 H GLY 50 H GLY 50 19.003 2.600 5.769
338 1HA GLY 50 2HA GLY 50 19.314 5.155 4.414
339 2HA GLY 50 1HA GLY 50 20.277 4.968 5.877
340 H ASP 51 H ASP 51 20.201 4.382 2.547
341 HA ASP 51 HA ASP 51 21.954 3.546 1.191
342 1HB ASP 51 2HB ASP 51 23.171 3.606 3.694
343 2HB ASP 51 1HB ASP 51 23.338 1.939 3.146
344 H TRP 52 H TRP 52 20.843 2.087 0.001
345 HA TRP 52 HA TRP 52 21.222 -0.648 0.076
346 1HB TRP 52 2HB TRP 52 18.728 -1.208 0.948
347 2HB TRP 52 1HB TRP 52 20.130 -1.232 2.003
348 HD1 TRP 52 HD1 TRP 52 18.959 -0.494 4.152
349 HE1 TRP 52 HE1 TRP 52 17.869 1.680 4.927
350 HE3 TRP 52 HE3 TRP 52 18.615 2.027 -0.285
351 HZ2 TRP 52 HZ2 TRP 52 16.972 4.168 3.828
352 HZ3 TRP 52 HZ3 TRP 52 17.653 4.289 -0.372
353 HH2 TRP 52 HH2 TRP 52 16.831 5.353 1.710
354 H ASN 53 H ASN 53 18.693 -1.667 -0.737
355 HA ASN 53 HA ASN 53 18.356 -0.168 -3.269
356 1HB ASN 53 2HB ASN 53 17.877 -2.956 -2.348
357 2HB ASN 53 1HB ASN 53 16.729 -2.326 -3.530
358 1HD2 ASN 53 1HD2 ASN 53 18.939 -4.381 -3.895
359 2HD2 ASN 53 2HD2 ASN 53 19.892 -3.772 -5.160
360 H ASP 54 H ASP 54 16.762 1.363 -3.263
361 HA ASP 54 HA ASP 54 14.824 1.680 -1.206
362 1HB ASP 54 2HB ASP 54 13.658 3.180 -2.843
363 2HB ASP 54 1HB ASP 54 15.378 3.531 -2.681
364 H ASP 55 H ASP 55 12.406 1.593 -1.606
365 HA ASP 55 HA ASP 55 11.695 -1.111 -2.444
366 1HB ASP 55 2HB ASP 55 10.682 0.638 -0.596
367 2HB ASP 55 1HB ASP 55 9.529 0.793 -1.916
368 H ARG 56 H ARG 56 10.955 -1.653 -4.454
369 HA ARG 56 HA ARG 56 10.146 0.574 -6.272
370 1HB ARG 56 2HB ARG 56 12.293 -1.072 -6.585
371 2HB ARG 56 1HB ARG 56 11.053 -1.967 -7.461
372 1HG ARG 56 2HG ARG 56 11.115 -0.511 -9.156
373 2HG ARG 56 1HG ARG 56 10.865 0.851 -8.064
374 1HD ARG 56 2HD ARG 56 13.031 1.036 -9.273
375 2HD ARG 56 1HD ARG 56 13.258 0.897 -7.530
376 HE ARG 56 HE ARG 56 13.343 -1.723 -8.597
377 1HH1 ARG 56 1HH1 ARG 56 15.319 0.604 -7.363
378 2HH1 ARG 56 2HH1 ARG 56 16.739 0.163 -8.253
379 1HH2 ARG 56 1HH2 ARG 56 15.060 -2.027 -10.353
380 2HH2 ARG 56 2HH2 ARG 56 16.592 -1.326 -9.947
381 H CYS 57 H CYS 57 8.623 -0.120 -7.990
382 HA CYS 57 HA CYS 57 6.771 -2.243 -7.005
383 1HB CYS 57 2HB CYS 57 6.300 0.414 -8.320
384 2HB CYS 57 1HB CYS 57 5.178 -0.900 -8.662
385 H THR 58 H THR 58 5.693 -3.428 -8.843
386 HA THR 58 HA THR 58 7.700 -3.989 -10.934
387 HB THR 58 HB THR 58 6.495 -5.998 -11.338
388 HG1 THR 58 HG1 THR 58 4.392 -4.515 -10.252
389 1HG2 THR 58 1HG2 THR 58 5.861 -5.664 -8.430
390 2HG2 THR 58 2HG2 THR 58 7.542 -5.555 -8.951
391 3HG2 THR 58 3HG2 THR 58 6.617 -7.024 -9.261
392 H GLY 59 H GLY 59 5.914 -4.893 -12.954
393 1HA GLY 59 1HA GLY 59 5.079 -2.265 -14.034
394 2HA GLY 59 2HA GLY 59 5.284 -3.743 -14.973
395 H GLN 60 H GLN 60 3.701 -4.981 -12.513
396 HA GLN 60 HA GLN 60 0.995 -4.055 -13.356
397 1HB GLN 60 2HB GLN 60 1.517 -6.980 -12.912
398 2HB GLN 60 1HB GLN 60 0.235 -6.209 -13.847
399 1HG GLN 60 2HG GLN 60 1.884 -5.499 -15.536
400 2HG GLN 60 1HG GLN 60 3.172 -6.259 -14.601
401 1HE2 GLN 60 1HE2 GLN 60 0.055 -7.064 -16.216
402 2HE2 GLN 60 2HE2 GLN 60 0.494 -8.659 -16.599
403 H SER 61 H SER 61 2.719 -3.713 -10.902
404 HA SER 61 HA SER 61 0.756 -4.865 -8.960
405 1HB SER 61 2HB SER 61 3.006 -6.015 -8.908
406 2HB SER 61 1HB SER 61 3.713 -4.477 -8.425
407 HG SER 61 HG SER 61 3.090 -5.931 -6.675
408 H ALA 62 H ALA 62 -0.301 -3.235 -7.954
409 HA ALA 62 HA ALA 62 0.930 -0.540 -7.908
410 1HB ALA 62 1HB ALA 62 -1.615 -1.273 -8.445
411 2HB ALA 62 2HB ALA 62 -1.198 0.297 -7.763
412 3HB ALA 62 3HB ALA 62 -1.751 -1.002 -6.708
413 H ASP 63 H ASP 63 0.232 -3.219 -5.810
414 HA ASP 63 HA ASP 63 0.439 -1.643 -3.356
415 1HB ASP 63 2HB ASP 63 0.867 -4.572 -3.314
416 2HB ASP 63 1HB ASP 63 -0.091 -3.566 -2.237
417 H CYS 64 H CYS 64 2.183 -2.300 -1.720
418 HA CYS 64 HA CYS 64 4.748 -2.955 -3.082
419 1HB CYS 64 2HB CYS 64 4.647 -0.521 -2.946
420 2HB CYS 64 1HB CYS 64 4.260 -0.608 -1.228
421 HA PRO 65 HA PRO 65 4.875 -5.567 0.471
422 1HB PRO 65 2HB PRO 65 7.119 -6.892 -0.365
423 2HB PRO 65 1HB PRO 65 5.501 -7.259 -0.962
424 1HG PRO 65 2HG PRO 65 7.753 -5.869 -2.318
425 2HG PRO 65 1HG PRO 65 6.373 -6.727 -3.027
426 1HD PRO 65 2HD PRO 65 6.664 -3.916 -2.793
427 2HD PRO 65 1HD PRO 65 5.188 -4.792 -3.250
428 H ARG 66 H ARG 66 7.373 -6.449 1.451
429 HA ARG 66 HA ARG 66 9.018 -4.066 1.925
430 1HB ARG 66 2HB ARG 66 7.877 -5.573 4.283
431 2HB ARG 66 1HB ARG 66 8.754 -4.042 4.296
432 1HG ARG 66 2HG ARG 66 6.920 -2.926 3.146
433 2HG ARG 66 1HG ARG 66 6.057 -4.455 2.974
434 1HD ARG 66 2HD ARG 66 6.750 -3.082 5.586
435 2HD ARG 66 1HD ARG 66 5.143 -3.203 4.868
436 HE ARG 66 HE ARG 66 6.690 -5.547 5.898
437 1HH1 ARG 66 1HH2 ARG 66 4.452 -4.436 7.536
438 2HH1 ARG 66 2HH2 ARG 66 3.118 -5.434 7.059
439 1HH2 ARG 66 1HH1 ARG 66 4.678 -6.614 4.198
440 2HH2 ARG 66 2HH1 ARG 66 3.246 -6.665 5.171
441 H TYR 67 H TYR 67 11.149 -4.638 2.284
442 HA TYR 67 HA TYR 67 11.897 -7.221 3.347
443 1HB TYR 67 2HB TYR 67 13.199 -7.781 1.158
444 2HB TYR 67 1HB TYR 67 11.476 -8.152 1.228
445 HD1 TYR 67 HD1 TYR 67 14.057 -6.132 -0.346
446 HD2 TYR 67 HD2 TYR 67 9.817 -6.578 0.187
447 HE1 TYR 67 HE1 TYR 67 13.656 -4.645 -2.290
448 HE2 TYR 67 HE2 TYR 67 9.418 -5.091 -1.758
449 HH TYR 67 HH TYR 67 10.738 -4.421 -3.859
450 H HIS 68 HN HIS 68 12.444 -4.334 3.739
451 HA HIS 68 HA HIS 68 15.385 -4.335 3.195
452 1HB HIS 68 2HB HIS 68 13.565 -1.974 3.770
453 2HB HIS 68 1HB HIS 68 15.284 -1.891 3.387
454 HD1 HIS 68 HD1 HIS 68 12.005 -3.012 1.818
455 HD2 HIS 68 HD2 HIS 68 15.850 -1.886 0.665
456 HE1 HIS 68 HE1 HIS 68 11.984 -2.876 -0.711
Start of MODEL 13
1 1H GLY 1 1HT GLY 1 -17.432 -14.429 -1.192
2 2H GLY 1 2HT GLY 1 -16.582 -15.881 -0.952
3 3H GLY 1 3HT GLY 1 -16.880 -15.318 -2.527
4 1HA GLY 1 1HA GLY 1 -14.809 -14.572 -0.655
5 2HA GLY 1 2HA GLY 1 -14.817 -14.495 -2.418
6 H LYS 2 H LYS 2 -13.822 -12.364 -0.872
7 HA LYS 2 HA LYS 2 -15.712 -10.314 -0.296
8 1HB LYS 2 2HB LYS 2 -13.841 -8.788 -0.349
9 2HB LYS 2 1HB LYS 2 -13.264 -10.309 0.334
10 1HG LYS 2 2HG LYS 2 -11.677 -10.347 -1.261
11 2HG LYS 2 1HG LYS 2 -12.959 -10.577 -2.451
12 1HD LYS 2 2HD LYS 2 -13.054 -7.848 -1.880
13 2HD LYS 2 1HD LYS 2 -11.330 -8.216 -1.929
14 1HE LYS 2 2HE LYS 2 -13.183 -9.235 -4.076
15 2HE LYS 2 1HE LYS 2 -12.506 -7.608 -4.162
16 1HZ LYS 2 1HZ LYS 2 -11.285 -9.969 -4.911
17 2HZ LYS 2 2HZ LYS 2 -10.495 -9.481 -3.487
18 3HZ LYS 2 3HZ LYS 2 -10.574 -8.431 -4.821
19 H GLU 3 H GLU 3 -16.583 -8.663 -1.595
20 HA GLU 3 HA GLU 3 -15.970 -8.802 -4.513
21 1HB GLU 3 2HB GLU 3 -18.425 -8.479 -4.946
22 2HB GLU 3 1HB GLU 3 -18.035 -10.041 -4.225
23 1HG GLU 3 2HG GLU 3 -19.250 -9.588 -2.379
24 2HG GLU 3 1HG GLU 3 -18.491 -8.007 -2.191
25 H CYS 4 H CYS 4 -14.839 -6.889 -2.879
26 HA CYS 4 HA CYS 4 -16.173 -4.458 -3.884
27 1HB CYS 4 2HB CYS 4 -16.934 -4.884 -1.509
28 2HB CYS 4 1HB CYS 4 -15.273 -4.605 -1.045
29 H ASP 5 H ASP 5 -14.212 -4.972 -5.276
30 HA ASP 5 HA ASP 5 -11.566 -4.922 -4.703
31 1HB ASP 5 2HB ASP 5 -12.697 -4.631 -6.991
32 2HB ASP 5 1HB ASP 5 -12.641 -2.897 -6.661
33 H CYS 6 H CYS 6 -13.748 -2.168 -4.297
34 HA CYS 6 HA CYS 6 -11.756 -0.951 -2.496
35 1HB CYS 6 2HB CYS 6 -11.053 0.641 -3.919
36 2HB CYS 6 1HB CYS 6 -12.007 -0.100 -5.192
37 H SER 7 H SER 7 -12.731 0.353 -0.909
38 HA SER 7 HA SER 7 -15.704 0.208 -0.862
39 1HB SER 7 2HB SER 7 -15.450 0.744 1.555
40 2HB SER 7 1HB SER 7 -14.559 -0.706 1.104
41 HG SER 7 HG SER 7 -13.643 1.539 2.194
42 H SER 8 H SER 8 -13.350 2.348 -1.793
43 HA SER 8 HA SER 8 -14.526 4.776 -0.650
44 1HB SER 8 2HB SER 8 -12.906 5.690 -2.615
45 2HB SER 8 1HB SER 8 -12.317 5.235 -1.019
46 HG SER 8 HG SER 8 -11.400 3.528 -1.854
47 HA PRO 9 HA PRO 9 -17.498 4.929 -3.992
48 1HB PRO 9 2HB PRO 9 -18.829 7.133 -3.029
49 2HB PRO 9 1HB PRO 9 -19.086 5.489 -2.419
50 1HG PRO 9 2HG PRO 9 -17.614 7.753 -1.152
51 2HG PRO 9 1HG PRO 9 -18.425 6.375 -0.390
52 1HD PRO 9 2HD PRO 9 -15.636 6.642 -0.786
53 2HD PRO 9 1HD PRO 9 -16.489 5.148 -0.340
54 H GLU 10 H GLU 10 -15.555 7.665 -2.852
55 HA GLU 10 HA GLU 10 -16.056 9.263 -5.252
56 1HB GLU 10 2HB GLU 10 -15.429 10.143 -2.909
57 2HB GLU 10 1HB GLU 10 -13.781 9.653 -3.302
58 1HG GLU 10 2HG GLU 10 -14.903 11.100 -5.526
59 2HG GLU 10 1HG GLU 10 -15.087 12.052 -4.053
60 H ASN 11 H ASN 11 -13.808 6.815 -4.253
61 HA ASN 11 HA ASN 11 -11.634 7.385 -5.988
62 1HB ASN 11 2HB ASN 11 -11.784 5.637 -4.112
63 2HB ASN 11 1HB ASN 11 -12.569 4.600 -5.301
64 1HD2 ASN 11 1HD2 ASN 11 -10.047 3.865 -4.205
65 2HD2 ASN 11 2HD2 ASN 11 -8.869 3.976 -5.423
66 HA PRO 12 HA PRO 12 -13.816 6.493 -9.803
67 1HB PRO 12 2HB PRO 12 -11.782 7.346 -11.441
68 2HB PRO 12 1HB PRO 12 -12.920 8.446 -10.643
69 1HG PRO 12 2HG PRO 12 -10.064 7.905 -9.989
70 2HG PRO 12 1HG PRO 12 -11.035 9.349 -9.662
71 1HD PRO 12 2HD PRO 12 -10.368 7.321 -7.791
72 2HD PRO 12 1HD PRO 12 -11.563 8.614 -7.558
73 H CYS 13 H CYS 13 -11.459 4.779 -8.343
74 HA CYS 13 HA CYS 13 -10.783 3.118 -10.733
75 1HB CYS 13 2HB CYS 13 -9.585 2.907 -7.967
76 2HB CYS 13 1HB CYS 13 -8.939 2.269 -9.473
77 H CYS 14 H CYS 14 -13.400 3.087 -9.188
78 HA CYS 14 HA CYS 14 -13.682 0.217 -9.116
79 1HB CYS 14 2HB CYS 14 -14.276 0.239 -6.582
80 2HB CYS 14 1HB CYS 14 -12.573 0.180 -7.043
81 H ASP 15 H ASP 15 -15.803 -0.232 -9.470
82 HA ASP 15 HA ASP 15 -17.760 1.803 -9.775
83 1HB ASP 15 2HB ASP 15 -17.712 -0.662 -10.644
84 2HB ASP 15 1HB ASP 15 -18.516 -1.007 -9.118
85 H ALA 16 H ALA 16 -19.084 2.786 -8.303
86 HA ALA 16 HA ALA 16 -18.842 1.939 -5.489
87 1HB ALA 16 1HB ALA 16 -18.469 4.358 -6.306
88 2HB ALA 16 2HB ALA 16 -19.496 4.132 -4.890
89 3HB ALA 16 3HB ALA 16 -20.224 4.431 -6.469
90 H ALA 17 H ALA 17 -20.666 0.749 -7.702
91 HA ALA 17 HA ALA 17 -23.191 0.967 -6.105
92 1HB ALA 17 1HB ALA 17 -23.030 1.855 -8.621
93 2HB ALA 17 2HB ALA 17 -24.473 1.032 -8.029
94 3HB ALA 17 3HB ALA 17 -23.281 0.147 -8.980
95 H THR 18 H THR 18 -20.708 -1.025 -7.291
96 HA THR 18 HA THR 18 -22.235 -3.436 -6.457
97 HB THR 18 HB THR 18 -20.645 -2.964 -8.941
98 HG1 THR 18 HG1 THR 18 -22.428 -3.992 -9.834
99 1HG2 THR 18 1HG2 THR 18 -19.501 -4.875 -8.244
100 2HG2 THR 18 2HG2 THR 18 -20.838 -5.559 -9.171
101 3HG2 THR 18 3HG2 THR 18 -20.912 -5.527 -7.408
102 H CYS 19 H CYS 19 -19.679 -1.456 -5.819
103 HA CYS 19 HA CYS 19 -17.737 -1.724 -4.529
104 1HB CYS 19 2HB CYS 19 -19.588 -3.736 -3.641
105 2HB CYS 19 1HB CYS 19 -17.948 -4.341 -3.535
106 H LYS 20 H LYS 20 -16.453 -1.771 -6.477
107 HA LYS 20 HA LYS 20 -14.722 -4.008 -6.683
108 1HB LYS 20 2HB LYS 20 -17.139 -4.134 -8.378
109 2HB LYS 20 1HB LYS 20 -15.608 -4.421 -9.208
110 1HG LYS 20 2HG LYS 20 -15.598 -5.815 -6.688
111 2HG LYS 20 1HG LYS 20 -17.046 -6.253 -7.598
112 1HD LYS 20 2HD LYS 20 -15.384 -6.460 -9.618
113 2HD LYS 20 1HD LYS 20 -14.159 -6.603 -8.358
114 1HE LYS 20 2HE LYS 20 -14.847 -8.682 -7.759
115 2HE LYS 20 1HE LYS 20 -16.552 -8.256 -7.900
116 1HZ LYS 20 1HZ LYS 20 -15.489 -9.909 -9.569
117 2HZ LYS 20 2HZ LYS 20 -14.919 -8.501 -10.331
118 3HZ LYS 20 3HZ LYS 20 -16.588 -8.743 -10.124
119 H LEU 21 H LEU 21 -13.666 -3.882 -9.119
120 HA LEU 21 HA LEU 21 -12.506 -1.228 -9.215
121 1HB LEU 21 2HB LEU 21 -12.122 -3.798 -10.582
122 2HB LEU 21 1HB LEU 21 -11.861 -2.395 -11.617
123 HG LEU 21 HG LEU 21 -10.580 -2.734 -8.898
124 1HD1 LEU 21 1HD1 LEU 21 -9.922 -4.353 -10.863
125 2HD1 LEU 21 2HD1 LEU 21 -8.658 -3.569 -9.914
126 3HD1 LEU 21 3HD1 LEU 21 -9.101 -2.926 -11.496
127 1HD2 LEU 21 1HD2 LEU 21 -9.268 -0.986 -10.772
128 2HD2 LEU 21 2HD2 LEU 21 -9.874 -0.636 -9.157
129 3HD2 LEU 21 3HD2 LEU 21 -10.948 -0.500 -10.545
130 H ARG 22 H ARG 22 -12.683 0.281 -10.927
131 HA ARG 22 HA ARG 22 -15.297 0.255 -12.275
132 1HB ARG 22 2HB ARG 22 -13.522 2.272 -11.427
133 2HB ARG 22 1HB ARG 22 -13.436 2.303 -13.189
134 1HG ARG 22 2HG ARG 22 -16.146 2.018 -12.723
135 2HG ARG 22 1HG ARG 22 -15.638 3.090 -11.417
136 1HD ARG 22 2HD ARG 22 -15.750 4.761 -12.935
137 2HD ARG 22 1HD ARG 22 -14.275 4.083 -13.623
138 HE ARG 22 HE ARG 22 -15.561 3.227 -15.419
139 1HH1 ARG 22 1HH2 ARG 22 -17.543 3.759 -12.670
140 2HH1 ARG 22 2HH2 ARG 22 -19.021 3.819 -13.572
141 1HH2 ARG 22 1HH1 ARG 22 -17.460 3.530 -16.655
142 2HH2 ARG 22 2HH1 ARG 22 -18.974 3.690 -15.829
143 HA PRO 23 HA PRO 23 -13.485 -2.002 -15.664
144 1HB PRO 23 2HB PRO 23 -15.569 -1.577 -17.433
145 2HB PRO 23 1HB PRO 23 -15.573 -2.810 -16.159
146 1HG PRO 23 2HG PRO 23 -16.919 -0.122 -16.184
147 2HG PRO 23 1HG PRO 23 -17.469 -1.647 -15.462
148 1HD PRO 23 2HD PRO 23 -16.340 0.389 -13.969
149 2HD PRO 23 1HD PRO 23 -16.253 -1.318 -13.511
150 H GLY 24 H GLY 24 -11.901 -0.163 -15.702
151 1HA GLY 24 2HA GLY 24 -11.467 0.845 -18.288
152 2HA GLY 24 1HA GLY 24 -12.191 2.149 -17.340
153 H ALA 25 H ALA 25 -10.133 -0.397 -16.008
154 HA ALA 25 HA ALA 25 -7.713 1.169 -15.951
155 1HB ALA 25 1HB ALA 25 -8.367 2.530 -14.248
156 2HB ALA 25 2HB ALA 25 -8.070 1.120 -13.233
157 3HB ALA 25 3HB ALA 25 -9.702 1.474 -13.795
158 H GLN 26 H GLN 26 -6.576 0.108 -13.594
159 HA GLN 26 HA GLN 26 -7.014 -2.821 -13.796
160 1HB GLN 26 2HB GLN 26 -5.082 -1.742 -15.326
161 2HB GLN 26 1HB GLN 26 -4.176 -1.926 -13.823
162 1HG GLN 26 2HG GLN 26 -3.988 -4.140 -14.165
163 2HG GLN 26 1HG GLN 26 -5.741 -4.290 -14.281
164 1HE2 GLN 26 1HE2 GLN 26 -2.814 -4.409 -16.096
165 2HE2 GLN 26 2HE2 GLN 26 -3.516 -4.487 -17.640
166 H CYS 27 H CYS 27 -7.349 -0.661 -11.671
167 HA CYS 27 HA CYS 27 -6.579 -2.224 -9.442
168 1HB CYS 27 2HB CYS 27 -4.722 -0.850 -8.516
169 2HB CYS 27 1HB CYS 27 -4.273 -1.660 -10.012
170 H GLY 28 H GLY 28 -7.806 -1.563 -7.762
171 1HA GLY 28 2HA GLY 28 -9.186 1.041 -8.011
172 2HA GLY 28 1HA GLY 28 -9.662 -0.273 -6.943
173 H GLU 29 H GLU 29 -6.562 -0.337 -6.332
174 HA GLU 29 HA GLU 29 -5.937 2.086 -4.981
175 1HB GLU 29 2HB GLU 29 -6.404 1.233 -2.621
176 2HB GLU 29 1HB GLU 29 -7.814 1.722 -3.558
177 1HG GLU 29 2HG GLU 29 -8.318 -0.578 -4.119
178 2HG GLU 29 1HG GLU 29 -6.819 -1.134 -3.374
179 H GLY 30 H GLY 30 -3.805 1.975 -4.457
180 1HA GLY 30 2HA GLY 30 -2.486 -0.234 -3.267
181 2HA GLY 30 1HA GLY 30 -2.242 -0.336 -5.011
182 H LEU 31 H LEU 31 -0.062 0.112 -3.300
183 HA LEU 31 HA LEU 31 0.525 2.917 -3.002
184 1HB LEU 31 2HB LEU 31 1.941 0.387 -2.637
185 2HB LEU 31 1HB LEU 31 2.976 1.741 -3.063
186 HG LEU 31 HG LEU 31 0.899 2.229 -0.986
187 1HD1 LEU 31 1HD1 LEU 31 3.477 0.972 -0.118
188 2HD1 LEU 31 2HD1 LEU 31 2.151 -0.075 -0.624
189 3HD1 LEU 31 3HD1 LEU 31 1.930 1.040 0.723
190 1HD2 LEU 31 1HD2 LEU 31 2.686 3.627 -0.061
191 2HD2 LEU 31 2HD2 LEU 31 2.504 3.966 -1.783
192 3HD2 LEU 31 3HD2 LEU 31 3.837 2.959 -1.218
193 H CYS 32 H CYS 32 1.266 0.506 -5.490
194 HA CYS 32 HA CYS 32 2.534 2.662 -7.111
195 1HB CYS 32 2HB CYS 32 2.550 -0.288 -7.753
196 2HB CYS 32 1HB CYS 32 3.658 0.961 -8.324
197 H CYS 33 H CYS 33 -0.420 2.255 -6.740
198 HA CYS 33 HA CYS 33 -1.174 1.524 -9.534
199 1HB CYS 33 2HB CYS 33 -2.573 0.297 -8.100
200 2HB CYS 33 1HB CYS 33 -2.675 1.599 -6.923
201 H GLU 34 H GLU 34 -0.729 3.426 -10.659
202 HA GLU 34 HA GLU 34 -1.175 6.069 -9.706
203 1HB GLU 34 2HB GLU 34 -1.016 6.762 -12.031
204 2HB GLU 34 1HB GLU 34 0.155 5.473 -11.749
205 1HG GLU 34 2HG GLU 34 -0.888 4.067 -13.184
206 2HG GLU 34 1HG GLU 34 -2.482 4.468 -12.544
207 H GLN 35 H GLN 35 -2.846 7.172 -11.760
208 HA GLN 35 HA GLN 35 -5.378 7.064 -10.503
209 1HB GLN 35 2HB GLN 35 -4.377 8.703 -12.335
210 2HB GLN 35 1HB GLN 35 -5.208 7.612 -13.445
211 1HG GLN 35 2HG GLN 35 -7.327 8.041 -12.450
212 2HG GLN 35 1HG GLN 35 -6.593 8.813 -11.043
213 1HE2 GLN 35 1HE2 GLN 35 -4.789 10.602 -12.187
214 2HE2 GLN 35 2HE2 GLN 35 -5.613 11.721 -13.161
215 H CYS 36 H CYS 36 -5.934 4.865 -10.191
216 HA CYS 36 HA CYS 36 -6.756 2.743 -10.774
217 1HB CYS 36 2HB CYS 36 -8.007 3.996 -13.194
218 2HB CYS 36 1HB CYS 36 -8.696 2.836 -12.057
219 H LYS 37 H LYS 37 -4.173 2.855 -11.612
220 HA LYS 37 HA LYS 37 -4.267 1.202 -14.029
221 1HB LYS 37 2HB LYS 37 -3.682 4.022 -14.229
222 2HB LYS 37 1HB LYS 37 -2.268 3.076 -14.698
223 1HG LYS 37 2HG LYS 37 -5.038 2.467 -15.744
224 2HG LYS 37 1HG LYS 37 -3.941 3.579 -16.565
225 1HD LYS 37 2HD LYS 37 -2.388 1.308 -15.993
226 2HD LYS 37 1HD LYS 37 -3.934 0.678 -16.564
227 1HE LYS 37 2HE LYS 37 -3.500 2.728 -18.330
228 2HE LYS 37 1HE LYS 37 -1.854 2.168 -18.033
229 1HZ LYS 37 1HZ LYS 37 -2.244 0.217 -19.040
230 2HZ LYS 37 2HZ LYS 37 -3.522 1.048 -19.792
231 3HZ LYS 37 3HZ LYS 37 -3.821 0.079 -18.427
232 H PHE 38 H PHE 38 -2.680 -0.315 -13.907
233 HA PHE 38 HA PHE 38 -0.963 -0.555 -11.663
234 1HB PHE 38 2HB PHE 38 -1.129 -1.831 -14.353
235 2HB PHE 38 1HB PHE 38 0.390 -2.007 -13.484
236 HD1 PHE 38 HD1 PHE 38 -0.163 -4.486 -13.457
237 HD2 PHE 38 HD2 PHE 38 -2.532 -1.552 -11.398
238 HE1 PHE 38 HE1 PHE 38 -1.158 -6.272 -12.055
239 HE2 PHE 38 HE2 PHE 38 -3.524 -3.344 -9.995
240 HZ PHE 38 HZ PHE 38 -2.838 -5.701 -10.326
241 H SER 39 H SER 39 0.420 1.181 -11.231
242 HA SER 39 HA SER 39 1.705 2.879 -13.013
243 1HB SER 39 2HB SER 39 2.825 1.719 -10.473
244 2HB SER 39 1HB SER 39 3.521 3.090 -11.320
245 HG SER 39 HG SER 39 1.866 4.309 -10.725
246 H ARG 40 H ARG 40 4.033 2.808 -13.787
247 HA ARG 40 HA ARG 40 4.582 0.108 -14.821
248 1HB ARG 40 2HB ARG 40 4.944 2.788 -15.807
249 2HB ARG 40 1HB ARG 40 6.478 1.920 -15.845
250 1HG ARG 40 2HG ARG 40 5.102 -0.022 -16.885
251 2HG ARG 40 1HG ARG 40 3.882 1.212 -17.203
252 1HD ARG 40 2HD ARG 40 6.777 1.452 -18.063
253 2HD ARG 40 1HD ARG 40 5.491 0.848 -19.108
254 HE ARG 40 HE ARG 40 4.520 3.285 -18.232
255 1HH1 ARG 40 1HH2 ARG 40 7.500 3.938 -18.033
256 2HH1 ARG 40 2HH2 ARG 40 7.789 4.641 -19.588
257 1HH2 ARG 40 1HH1 ARG 40 4.853 3.429 -20.978
258 2HH2 ARG 40 2HH1 ARG 40 6.291 4.353 -21.255
259 H ALA 41 H ALA 41 6.772 -0.785 -14.662
260 HA ALA 41 HA ALA 41 7.893 -0.815 -12.126
261 1HB ALA 41 1HB ALA 41 10.139 -1.203 -13.558
262 2HB ALA 41 2HB ALA 41 8.952 -1.389 -14.848
263 3HB ALA 41 3HB ALA 41 8.881 -2.432 -13.428
264 H GLY 42 H GLY 42 9.884 0.212 -11.284
265 1HA GLY 42 2HA GLY 42 11.424 2.039 -11.160
266 2HA GLY 42 1HA GLY 42 10.638 2.742 -12.564
267 H LYS 43 H LYS 43 8.597 1.544 -10.009
268 HA LYS 43 HA LYS 43 7.916 4.376 -9.412
269 1HB LYS 43 2HB LYS 43 6.026 3.075 -10.163
270 2HB LYS 43 1HB LYS 43 6.366 1.828 -8.970
271 1HG LYS 43 2HG LYS 43 4.638 3.092 -7.974
272 2HG LYS 43 1HG LYS 43 6.102 3.704 -7.213
273 1HD LYS 43 2HD LYS 43 6.103 5.675 -8.502
274 2HD LYS 43 1HD LYS 43 5.026 4.985 -9.716
275 1HE LYS 43 2HE LYS 43 3.177 5.590 -8.566
276 2HE LYS 43 1HE LYS 43 3.838 4.995 -7.043
277 1HZ LYS 43 1HZ LYS 43 3.621 7.639 -7.910
278 2HZ LYS 43 2HZ LYS 43 5.277 7.270 -7.820
279 3HZ LYS 43 3HZ LYS 43 4.283 7.066 -6.456
280 H ILE 44 H ILE 44 8.613 5.228 -7.520
281 HA ILE 44 HA ILE 44 9.825 3.495 -5.505
282 HB ILE 44 HB ILE 44 10.898 5.603 -5.859
283 1HG1 ILE 44 2HG1 ILE 44 10.630 6.714 -3.617
284 2HG1 ILE 44 1HG1 ILE 44 9.251 5.657 -3.312
285 1HG2 ILE 44 1HG2 ILE 44 9.370 7.029 -6.865
286 2HG2 ILE 44 2HG2 ILE 44 9.400 7.704 -5.235
287 3HG2 ILE 44 3HG2 ILE 44 8.088 6.630 -5.720
288 1HD1 ILE 44 1HD1 ILE 44 10.611 3.699 -3.365
289 2HD1 ILE 44 2HD1 ILE 44 11.502 4.864 -2.386
290 3HD1 ILE 44 3HD1 ILE 44 11.973 4.577 -4.060
291 H CYS 45 H CYS 45 8.195 2.266 -4.517
292 HA CYS 45 HA CYS 45 5.748 3.566 -3.524
293 1HB CYS 45 2HB CYS 45 5.142 1.331 -2.745
294 2HB CYS 45 1HB CYS 45 5.731 1.236 -4.396
295 H ARG 46 H ARG 46 8.924 2.939 -2.408
296 HA ARG 46 HA ARG 46 8.365 4.204 0.152
297 1HB ARG 46 2HB ARG 46 7.632 1.780 0.468
298 2HB ARG 46 1HB ARG 46 9.325 1.337 0.255
299 1HG ARG 46 2HG ARG 46 9.544 1.687 2.478
300 2HG ARG 46 1HG ARG 46 9.446 3.406 2.096
301 1HD ARG 46 2HD ARG 46 7.511 3.541 3.236
302 2HD ARG 46 1HD ARG 46 6.785 2.382 2.123
303 HE ARG 46 HE ARG 46 7.589 1.813 4.825
304 1HH1 ARG 46 1HH1 ARG 46 5.764 0.368 2.679
305 2HH1 ARG 46 2HH1 ARG 46 6.499 -1.201 2.707
306 1HH2 ARG 46 1HH2 ARG 46 9.322 -0.139 4.421
307 2HH2 ARG 46 2HH2 ARG 46 8.513 -1.488 3.693
308 H ILE 47 H ILE 47 10.305 4.916 1.134
309 HA ILE 47 HA ILE 47 12.698 4.687 -0.598
310 HB ILE 47 HB ILE 47 12.185 6.935 0.057
311 1HG1 ILE 47 2HG1 ILE 47 14.202 7.586 1.208
312 2HG1 ILE 47 1HG1 ILE 47 14.347 5.998 1.966
313 1HG2 ILE 47 1HG2 ILE 47 10.770 6.894 1.879
314 2HG2 ILE 47 2HG2 ILE 47 12.275 7.302 2.703
315 3HG2 ILE 47 3HG2 ILE 47 11.693 5.636 2.702
316 1HD1 ILE 47 1HD1 ILE 47 14.214 6.051 -1.007
317 2HD1 ILE 47 2HD1 ILE 47 15.157 5.009 0.059
318 3HD1 ILE 47 3HD1 ILE 47 15.697 6.655 -0.270
319 H ALA 48 H ALA 48 14.350 3.325 -0.069
320 HA ALA 48 HA ALA 48 14.220 1.522 2.109
321 1HB ALA 48 1HB ALA 48 15.948 1.946 -0.070
322 2HB ALA 48 2HB ALA 48 16.003 0.608 1.078
323 3HB ALA 48 3HB ALA 48 16.967 2.056 1.363
324 H ARG 49 H ARG 49 16.198 1.425 3.718
325 HA ARG 49 HA ARG 49 16.620 4.135 4.894
326 1HB ARG 49 2HB ARG 49 16.418 1.854 6.747
327 2HB ARG 49 1HB ARG 49 15.844 3.505 6.945
328 1HG ARG 49 2HG ARG 49 13.800 2.490 6.680
329 2HG ARG 49 1HG ARG 49 14.189 2.703 4.972
330 1HD ARG 49 2HD ARG 49 13.661 0.438 5.021
331 2HD ARG 49 1HD ARG 49 15.405 0.380 5.274
332 HE ARG 49 HE ARG 49 14.923 0.114 7.715
333 1HH1 ARG 49 1HH2 ARG 49 11.936 0.759 6.538
334 2HH1 ARG 49 2HH2 ARG 49 11.171 -0.697 7.082
335 1HH2 ARG 49 1HH1 ARG 49 14.146 -2.259 7.934
336 2HH2 ARG 49 2HH1 ARG 49 12.422 -2.405 7.871
337 H GLY 50 H GLY 50 18.560 3.034 3.277
338 1HA GLY 50 2HA GLY 50 20.828 2.922 4.983
339 2HA GLY 50 1HA GLY 50 20.389 1.276 4.546
340 H ASP 51 H ASP 51 21.903 0.705 3.065
341 HA ASP 51 HA ASP 51 22.797 2.579 1.011
342 1HB ASP 51 2HB ASP 51 23.945 0.378 2.314
343 2HB ASP 51 1HB ASP 51 23.743 -0.100 0.629
344 H TRP 52 H TRP 52 21.343 -0.603 1.113
345 HA TRP 52 HA TRP 52 20.877 -1.338 -1.445
346 1HB TRP 52 2HB TRP 52 18.408 -1.841 -0.579
347 2HB TRP 52 1HB TRP 52 19.794 -2.717 0.078
348 HD1 TRP 52 HD1 TRP 52 18.053 0.648 0.816
349 HE1 TRP 52 HE1 TRP 52 17.910 0.945 3.356
350 HE3 TRP 52 HE3 TRP 52 20.373 -3.613 2.313
351 HZ2 TRP 52 HZ2 TRP 52 18.683 -0.441 5.738
352 HZ3 TRP 52 HZ3 TRP 52 20.670 -4.113 4.727
353 HH2 TRP 52 HH2 TRP 52 19.829 -2.527 6.441
354 H ASN 53 H ASN 53 19.222 -0.913 -3.045
355 HA ASN 53 HA ASN 53 18.760 1.878 -3.519
356 1HB ASN 53 2HB ASN 53 18.468 -0.561 -4.962
357 2HB ASN 53 1HB ASN 53 16.923 0.289 -5.033
358 1HD2 ASN 53 1HD2 ASN 53 17.947 0.315 -7.452
359 2HD2 ASN 53 2HD2 ASN 53 18.790 1.740 -7.827
360 H ASP 54 H ASP 54 16.182 2.193 -4.337
361 HA ASP 54 HA ASP 54 14.757 2.318 -1.775
362 1HB ASP 54 2HB ASP 54 13.310 3.071 -4.221
363 2HB ASP 54 1HB ASP 54 13.506 3.960 -2.718
364 H ASP 55 H ASP 55 12.107 2.052 -2.714
365 HA ASP 55 HA ASP 55 12.008 -0.895 -3.157
366 1HB ASP 55 2HB ASP 55 10.985 0.400 -1.067
367 2HB ASP 55 1HB ASP 55 9.648 0.610 -2.189
368 H ARG 56 H ARG 56 12.368 0.035 -5.491
369 HA ARG 56 HA ARG 56 10.365 1.373 -6.955
370 1HB ARG 56 2HB ARG 56 12.788 0.243 -7.521
371 2HB ARG 56 1HB ARG 56 11.689 -0.866 -8.341
372 1HG ARG 56 2HG ARG 56 11.740 0.648 -10.018
373 2HG ARG 56 1HG ARG 56 10.619 1.566 -9.010
374 1HD ARG 56 2HD ARG 56 12.503 2.986 -9.717
375 2HD ARG 56 1HD ARG 56 12.532 2.744 -7.970
376 HE ARG 56 HE ARG 56 14.475 1.361 -8.226
377 1HH1 ARG 56 1HH2 ARG 56 13.666 -0.066 -10.739
378 2HH1 ARG 56 2HH2 ARG 56 14.788 0.574 -11.893
379 1HH2 ARG 56 1HH1 ARG 56 15.699 3.268 -9.912
380 2HH2 ARG 56 2HH1 ARG 56 15.940 2.460 -11.426
381 H CYS 57 H CYS 57 8.646 0.595 -8.265
382 HA CYS 57 HA CYS 57 7.466 -1.963 -7.301
383 1HB CYS 57 2HB CYS 57 6.136 0.074 -9.096
384 2HB CYS 57 1HB CYS 57 5.371 -1.185 -8.139
385 H THR 58 H THR 58 6.707 -3.466 -8.950
386 HA THR 58 HA THR 58 8.497 -3.652 -11.230
387 HB THR 58 HB THR 58 7.528 -5.769 -11.596
388 HG1 THR 58 HG1 THR 58 5.451 -6.132 -11.368
389 1HG2 THR 58 1HG2 THR 58 7.682 -6.788 -9.519
390 2HG2 THR 58 2HG2 THR 58 6.763 -5.517 -8.712
391 3HG2 THR 58 3HG2 THR 58 8.444 -5.236 -9.171
392 H GLY 59 H GLY 59 6.856 -4.547 -13.295
393 1HA GLY 59 2HA GLY 59 5.505 -2.004 -14.047
394 2HA GLY 59 1HA GLY 59 6.076 -3.225 -15.184
395 H GLN 60 H GLN 60 4.508 -4.532 -12.450
396 HA GLN 60 HA GLN 60 1.828 -4.487 -13.695
397 1HB GLN 60 2HB GLN 60 2.859 -7.192 -12.956
398 2HB GLN 60 1HB GLN 60 1.678 -6.740 -14.183
399 1HG GLN 60 2HG GLN 60 3.397 -5.963 -15.672
400 2HG GLN 60 1HG GLN 60 4.625 -6.091 -14.414
401 1HE2 GLN 60 1HE2 GLN 60 2.077 -8.367 -15.605
402 2HE2 GLN 60 2HE2 GLN 60 3.148 -9.662 -15.845
403 H SER 61 H SER 61 3.466 -3.885 -11.067
404 HA SER 61 HA SER 61 1.669 -5.369 -9.201
405 1HB SER 61 2HB SER 61 3.336 -5.274 -7.618
406 2HB SER 61 1HB SER 61 4.343 -5.198 -9.060
407 HG SER 61 HG SER 61 4.929 -3.511 -7.740
408 H ALA 62 H ALA 62 0.084 -4.241 -8.165
409 HA ALA 62 HA ALA 62 0.013 -1.294 -8.548
410 1HB ALA 62 1HB ALA 62 -2.337 -2.060 -7.258
411 2HB ALA 62 2HB ALA 62 -1.982 -3.415 -8.329
412 3HB ALA 62 3HB ALA 62 -2.148 -1.787 -8.990
413 H ASP 63 H ASP 63 0.786 -3.618 -6.180
414 HA ASP 63 HA ASP 63 0.385 -1.610 -4.007
415 1HB ASP 63 2HB ASP 63 0.913 -4.529 -3.595
416 2HB ASP 63 1HB ASP 63 0.221 -3.381 -2.457
417 H CYS 64 H CYS 64 2.170 -2.663 -2.148
418 HA CYS 64 HA CYS 64 4.803 -2.763 -3.511
419 1HB CYS 64 2HB CYS 64 4.571 -0.404 -3.134
420 2HB CYS 64 1HB CYS 64 3.952 -0.662 -1.504
421 HA PRO 65 HA PRO 65 5.163 -5.719 -0.240
422 1HB PRO 65 2HB PRO 65 7.493 -6.769 -1.220
423 2HB PRO 65 1HB PRO 65 5.901 -7.206 -1.839
424 1HG PRO 65 2HG PRO 65 8.012 -5.515 -3.067
425 2HG PRO 65 1HG PRO 65 6.695 -6.407 -3.847
426 1HD PRO 65 2HD PRO 65 6.766 -3.616 -3.336
427 2HD PRO 65 1HD PRO 65 5.359 -4.558 -3.874
428 H ARG 66 H ARG 66 7.793 -6.459 0.596
429 HA ARG 66 HA ARG 66 8.972 -3.891 1.482
430 1HB ARG 66 2HB ARG 66 9.242 -4.773 3.750
431 2HB ARG 66 1HB ARG 66 7.538 -4.815 3.294
432 1HG ARG 66 2HG ARG 66 8.549 -7.259 2.392
433 2HG ARG 66 1HG ARG 66 9.322 -7.020 3.959
434 1HD ARG 66 2HD ARG 66 6.941 -6.368 4.780
435 2HD ARG 66 1HD ARG 66 6.385 -7.179 3.316
436 HE ARG 66 HE ARG 66 8.155 -8.971 4.553
437 1HH1 ARG 66 1HH2 ARG 66 4.953 -7.830 4.643
438 2HH1 ARG 66 2HH2 ARG 66 4.471 -8.827 5.974
439 1HH2 ARG 66 1HH1 ARG 66 7.662 -10.052 6.557
440 2HH2 ARG 66 2HH1 ARG 66 6.004 -10.083 7.060
441 H TYR 67 H TYR 67 10.664 -4.254 -0.066
442 HA TYR 67 HA TYR 67 12.162 -6.651 -0.302
443 1HB TYR 67 2HB TYR 67 12.265 -4.053 -1.390
444 2HB TYR 67 1HB TYR 67 13.845 -4.349 -0.670
445 HD1 TYR 67 HD1 TYR 67 11.317 -6.474 -2.459
446 HD2 TYR 67 HD2 TYR 67 15.392 -5.140 -2.212
447 HE1 TYR 67 HE1 TYR 67 11.916 -7.952 -4.358
448 HE2 TYR 67 HE2 TYR 67 15.992 -6.617 -4.111
449 HH TYR 67 HH TYR 67 14.931 -8.873 -5.087
450 H HIS 68 HN HIS 68 12.489 -3.918 1.924
451 HA HIS 68 HA HIS 68 14.174 -5.611 3.659
452 1HB HIS 68 2HB HIS 68 15.106 -3.039 2.379
453 2HB HIS 68 1HB HIS 68 15.790 -3.609 3.902
454 HD1 HIS 68 HD1 HIS 68 17.045 -3.538 0.818
455 HD2 HIS 68 HD2 HIS 68 15.963 -6.843 3.117
456 HE1 HIS 68 HE1 HIS 68 18.342 -5.509 -0.105
Start of MODEL 14
1 1H GLY 1 1HT GLY 1 -9.920 -15.697 -2.342
2 2H GLY 1 2HT GLY 1 -10.334 -14.797 -3.722
3 3H GLY 1 3HT GLY 1 -11.214 -16.194 -3.320
4 1HA GLY 1 1HA GLY 1 -12.651 -14.685 -2.480
5 2HA GLY 1 2HA GLY 1 -11.584 -14.854 -1.087
6 H LYS 2 H LYS 2 -12.318 -12.588 -0.630
7 HA LYS 2 HA LYS 2 -11.908 -10.280 -0.603
8 1HB LYS 2 2HB LYS 2 -9.568 -11.093 -0.317
9 2HB LYS 2 1HB LYS 2 -9.378 -11.080 -2.071
10 1HG LYS 2 2HG LYS 2 -9.222 -8.808 -2.170
11 2HG LYS 2 1HG LYS 2 -10.426 -8.572 -0.902
12 1HD LYS 2 2HD LYS 2 -7.567 -9.477 -0.445
13 2HD LYS 2 1HD LYS 2 -8.173 -7.843 -0.166
14 1HE LYS 2 2HE LYS 2 -9.982 -9.162 1.287
15 2HE LYS 2 1HE LYS 2 -8.677 -10.344 1.387
16 1HZ LYS 2 1HZ LYS 2 -7.567 -7.820 1.776
17 2HZ LYS 2 2HZ LYS 2 -7.714 -9.081 2.904
18 3HZ LYS 2 3HZ LYS 2 -8.940 -7.913 2.766
19 H GLU 3 H GLU 3 -13.759 -10.470 -2.315
20 HA GLU 3 HA GLU 3 -12.905 -9.840 -5.063
21 1HB GLU 3 2HB GLU 3 -15.218 -10.961 -3.883
22 2HB GLU 3 1HB GLU 3 -15.712 -9.443 -4.632
23 1HG GLU 3 2HG GLU 3 -15.859 -11.292 -6.251
24 2HG GLU 3 1HG GLU 3 -14.626 -10.129 -6.741
25 H CYS 4 H CYS 4 -12.025 -7.925 -3.193
26 HA CYS 4 HA CYS 4 -13.705 -5.597 -4.007
27 1HB CYS 4 2HB CYS 4 -12.297 -6.048 -1.363
28 2HB CYS 4 1HB CYS 4 -12.976 -4.498 -1.858
29 H ASP 5 H ASP 5 -12.382 -5.089 -5.762
30 HA ASP 5 HA ASP 5 -9.489 -4.905 -5.516
31 1HB ASP 5 2HB ASP 5 -11.176 -5.153 -7.638
32 2HB ASP 5 1HB ASP 5 -10.825 -3.427 -7.704
33 H CYS 6 H CYS 6 -11.978 -2.937 -4.431
34 HA CYS 6 HA CYS 6 -10.134 -0.583 -4.397
35 1HB CYS 6 2HB CYS 6 -12.324 0.788 -4.384
36 2HB CYS 6 1HB CYS 6 -11.831 0.068 -5.917
37 H SER 7 H SER 7 -10.138 0.619 -2.451
38 HA SER 7 HA SER 7 -11.354 -0.821 -0.147
39 1HB SER 7 2HB SER 7 -9.641 0.032 1.173
40 2HB SER 7 1HB SER 7 -8.820 -0.091 -0.382
41 HG SER 7 HG SER 7 -10.037 2.199 0.778
42 H SER 8 H SER 8 -11.389 2.235 -1.863
43 HA SER 8 HA SER 8 -13.290 3.324 0.160
44 1HB SER 8 2HB SER 8 -12.712 5.321 -1.722
45 2HB SER 8 1HB SER 8 -12.058 5.193 -0.091
46 HG SER 8 HG SER 8 -10.290 4.180 -0.876
47 HA PRO 9 HA PRO 9 -16.297 2.389 -3.042
48 1HB PRO 9 2HB PRO 9 -18.480 2.817 -1.430
49 2HB PRO 9 1HB PRO 9 -17.541 1.314 -1.428
50 1HG PRO 9 2HG PRO 9 -17.575 3.507 0.589
51 2HG PRO 9 1HG PRO 9 -17.181 1.794 0.803
52 1HD PRO 9 2HD PRO 9 -15.316 3.920 0.610
53 2HD PRO 9 1HD PRO 9 -14.942 2.185 0.515
54 H GLU 10 H GLU 10 -15.081 5.059 -2.908
55 HA GLU 10 HA GLU 10 -17.393 6.613 -3.884
56 1HB GLU 10 2HB GLU 10 -16.375 7.023 -1.286
57 2HB GLU 10 1HB GLU 10 -15.722 8.339 -2.265
58 1HG GLU 10 2HG GLU 10 -17.775 9.243 -1.670
59 2HG GLU 10 1HG GLU 10 -18.202 8.451 -3.188
60 H ASN 11 H ASN 11 -14.630 5.373 -4.658
61 HA ASN 11 HA ASN 11 -13.385 7.802 -5.780
62 1HB ASN 11 2HB ASN 11 -11.417 6.458 -6.125
63 2HB ASN 11 1HB ASN 11 -11.998 6.120 -4.502
64 1HD2 ASN 11 1HD2 ASN 11 -10.488 4.112 -5.291
65 2HD2 ASN 11 2HD2 ASN 11 -11.369 2.793 -5.893
66 HA PRO 12 HA PRO 12 -14.797 6.843 -9.816
67 1HB PRO 12 2HB PRO 12 -12.690 7.733 -11.339
68 2HB PRO 12 1HB PRO 12 -13.833 8.808 -10.513
69 1HG PRO 12 2HG PRO 12 -11.012 8.169 -9.801
70 2HG PRO 12 1HG PRO 12 -11.967 9.611 -9.419
71 1HD PRO 12 2HD PRO 12 -11.399 7.462 -7.655
72 2HD PRO 12 1HD PRO 12 -12.579 8.762 -7.381
73 H CYS 13 H CYS 13 -13.283 4.593 -8.481
74 HA CYS 13 HA CYS 13 -12.787 3.043 -10.916
75 1HB CYS 13 2HB CYS 13 -10.613 4.182 -9.395
76 2HB CYS 13 1HB CYS 13 -10.557 2.423 -9.293
77 H CYS 14 H CYS 14 -14.531 3.158 -8.421
78 HA CYS 14 HA CYS 14 -14.073 0.321 -7.597
79 1HB CYS 14 2HB CYS 14 -13.483 1.876 -5.756
80 2HB CYS 14 1HB CYS 14 -15.096 2.581 -5.848
81 H ASP 15 H ASP 15 -16.032 -0.863 -7.127
82 HA ASP 15 HA ASP 15 -18.527 0.420 -8.150
83 1HB ASP 15 2HB ASP 15 -17.219 -1.379 -9.629
84 2HB ASP 15 1HB ASP 15 -18.108 -2.480 -8.583
85 H ALA 16 H ALA 16 -19.949 0.467 -6.487
86 HA ALA 16 HA ALA 16 -19.650 -1.061 -4.096
87 1HB ALA 16 1HB ALA 16 -21.388 0.193 -3.328
88 2HB ALA 16 2HB ALA 16 -22.376 -0.130 -4.753
89 3HB ALA 16 3HB ALA 16 -21.130 1.116 -4.809
90 H ALA 17 H ALA 17 -21.252 -1.737 -7.124
91 HA ALA 17 HA ALA 17 -23.084 -3.733 -6.253
92 1HB ALA 17 1HB ALA 17 -23.529 -3.779 -8.457
93 2HB ALA 17 2HB ALA 17 -21.938 -4.463 -8.788
94 3HB ALA 17 3HB ALA 17 -22.151 -2.714 -8.730
95 H THR 18 H THR 18 -19.672 -3.731 -6.245
96 HA THR 18 HA THR 18 -19.553 -6.375 -5.103
97 HB THR 18 HB THR 18 -19.384 -7.614 -6.987
98 HG1 THR 18 HG1 THR 18 -17.413 -7.607 -7.976
99 1HG2 THR 18 1HG2 THR 18 -19.331 -4.924 -8.319
100 2HG2 THR 18 2HG2 THR 18 -20.542 -6.201 -8.434
101 3HG2 THR 18 3HG2 THR 18 -18.995 -6.375 -9.264
102 H CYS 19 H CYS 19 -18.664 -3.588 -4.681
103 HA CYS 19 HA CYS 19 -16.706 -2.341 -4.204
104 1HB CYS 19 2HB CYS 19 -15.371 -3.452 -2.471
105 2HB CYS 19 1HB CYS 19 -17.085 -3.760 -2.210
106 H LYS 20 H LYS 20 -16.551 -3.811 -6.796
107 HA LYS 20 HA LYS 20 -13.598 -4.281 -6.844
108 1HB LYS 20 2HB LYS 20 -15.870 -5.541 -8.334
109 2HB LYS 20 1HB LYS 20 -14.293 -5.435 -9.117
110 1HG LYS 20 2HG LYS 20 -14.024 -6.333 -6.367
111 2HG LYS 20 1HG LYS 20 -15.110 -7.387 -7.275
112 1HD LYS 20 2HD LYS 20 -12.492 -6.513 -8.474
113 2HD LYS 20 1HD LYS 20 -12.548 -7.873 -7.352
114 1HE LYS 20 2HE LYS 20 -13.491 -9.235 -8.891
115 2HE LYS 20 1HE LYS 20 -14.652 -8.002 -9.384
116 1HZ LYS 20 1HZ LYS 20 -12.727 -8.822 -10.969
117 2HZ LYS 20 2HZ LYS 20 -11.860 -7.611 -10.149
118 3HZ LYS 20 3HZ LYS 20 -13.283 -7.219 -10.994
119 H LEU 21 H LEU 21 -12.566 -3.682 -8.978
120 HA LEU 21 HA LEU 21 -12.724 -0.992 -9.569
121 1HB LEU 21 2HB LEU 21 -11.955 -3.365 -11.226
122 2HB LEU 21 1HB LEU 21 -12.063 -1.786 -12.005
123 HG LEU 21 HG LEU 21 -10.469 -2.288 -9.480
124 1HD1 LEU 21 1HD1 LEU 21 -9.835 -3.398 -11.871
125 2HD1 LEU 21 2HD1 LEU 21 -8.626 -2.842 -10.714
126 3HD1 LEU 21 3HD1 LEU 21 -9.096 -1.808 -12.065
127 1HD2 LEU 21 1HD2 LEU 21 -10.476 -0.024 -9.483
128 2HD2 LEU 21 2HD2 LEU 21 -11.190 0.041 -11.095
129 3HD2 LEU 21 3HD2 LEU 21 -9.443 -0.126 -10.910
130 H ARG 22 H ARG 22 -14.285 0.289 -10.399
131 HA ARG 22 HA ARG 22 -16.699 -0.935 -11.510
132 1HB ARG 22 2HB ARG 22 -17.366 0.877 -10.271
133 2HB ARG 22 1HB ARG 22 -15.897 1.786 -10.598
134 1HG ARG 22 2HG ARG 22 -16.690 2.560 -12.673
135 2HG ARG 22 1HG ARG 22 -17.879 1.262 -12.806
136 1HD ARG 22 2HD ARG 22 -18.507 2.643 -10.424
137 2HD ARG 22 1HD ARG 22 -18.189 3.885 -11.635
138 HE ARG 22 HE ARG 22 -19.961 1.708 -12.516
139 1HH1 ARG 22 1HH2 ARG 22 -20.651 3.777 -10.128
140 2HH1 ARG 22 2HH2 ARG 22 -21.778 4.770 -10.993
141 1HH2 ARG 22 1HH1 ARG 22 -20.969 3.445 -14.094
142 2HH2 ARG 22 2HH1 ARG 22 -21.957 4.581 -13.239
143 HA PRO 23 HA PRO 23 -15.164 1.256 -15.458
144 1HB PRO 23 2HB PRO 23 -12.716 2.498 -15.376
145 2HB PRO 23 1HB PRO 23 -14.236 3.315 -14.974
146 1HG PRO 23 2HG PRO 23 -12.077 2.368 -13.151
147 2HG PRO 23 1HG PRO 23 -13.255 3.669 -12.915
148 1HD PRO 23 2HD PRO 23 -13.391 1.070 -11.791
149 2HD PRO 23 1HD PRO 23 -14.692 2.279 -11.810
150 H GLY 24 H GLY 24 -12.905 1.047 -16.932
151 1HA GLY 24 2HA GLY 24 -12.102 -1.777 -16.521
152 2HA GLY 24 1HA GLY 24 -11.857 -0.842 -17.997
153 H ALA 25 H ALA 25 -11.066 0.637 -14.968
154 HA ALA 25 HA ALA 25 -8.382 1.193 -15.710
155 1HB ALA 25 1HB ALA 25 -9.635 2.473 -14.000
156 2HB ALA 25 2HB ALA 25 -8.087 1.903 -13.374
157 3HB ALA 25 3HB ALA 25 -9.578 1.075 -12.927
158 H GLN 26 H GLN 26 -6.539 0.487 -14.036
159 HA GLN 26 HA GLN 26 -6.559 -2.494 -14.061
160 1HB GLN 26 2HB GLN 26 -4.625 -0.551 -14.817
161 2HB GLN 26 1HB GLN 26 -3.985 -1.415 -13.418
162 1HG GLN 26 2HG GLN 26 -3.981 -3.460 -14.511
163 2HG GLN 26 1HG GLN 26 -5.285 -2.990 -15.600
164 1HE2 GLN 26 1HE2 GLN 26 -4.725 -1.629 -17.469
165 2HE2 GLN 26 2HE2 GLN 26 -3.118 -1.495 -17.998
166 H CYS 27 H CYS 27 -6.950 0.084 -11.957
167 HA CYS 27 HA CYS 27 -6.985 -1.580 -9.636
168 1HB CYS 27 2HB CYS 27 -5.047 -0.539 -8.439
169 2HB CYS 27 1HB CYS 27 -4.555 -1.530 -9.813
170 H GLY 28 H GLY 28 -7.639 -0.350 -7.727
171 1HA GLY 28 2HA GLY 28 -8.767 2.305 -8.482
172 2HA GLY 28 1HA GLY 28 -9.431 1.253 -7.233
173 H GLU 29 H GLU 29 -6.236 0.948 -6.729
174 HA GLU 29 HA GLU 29 -5.417 3.440 -5.611
175 1HB GLU 29 2HB GLU 29 -5.942 3.197 -3.287
176 2HB GLU 29 1HB GLU 29 -7.445 2.909 -4.163
177 1HG GLU 29 2HG GLU 29 -7.530 1.017 -2.895
178 2HG GLU 29 1HG GLU 29 -6.414 0.391 -4.107
179 H GLY 30 H GLY 30 -3.264 3.275 -5.055
180 1HA GLY 30 1HA GLY 30 -2.030 1.001 -3.853
181 2HA GLY 30 2HA GLY 30 -1.783 0.918 -5.588
182 H LEU 31 H LEU 31 0.197 1.405 -3.447
183 HA LEU 31 HA LEU 31 1.006 4.137 -3.384
184 1HB LEU 31 2HB LEU 31 2.095 1.620 -2.555
185 2HB LEU 31 1HB LEU 31 3.345 2.564 -3.343
186 HG LEU 31 HG LEU 31 1.612 3.410 -1.010
187 1HD1 LEU 31 1HD1 LEU 31 3.718 3.555 0.182
188 2HD1 LEU 31 2HD1 LEU 31 4.623 3.210 -1.291
189 3HD1 LEU 31 3HD1 LEU 31 3.615 1.959 -0.563
190 1HD2 LEU 31 1HD2 LEU 31 3.503 5.385 -1.403
191 2HD2 LEU 31 2HD2 LEU 31 1.814 5.493 -1.895
192 3HD2 LEU 31 3HD2 LEU 31 3.038 4.975 -3.054
193 H CYS 32 H CYS 32 1.310 1.673 -5.806
194 HA CYS 32 HA CYS 32 2.830 3.590 -7.517
195 1HB CYS 32 2HB CYS 32 3.011 0.619 -7.921
196 2HB CYS 32 1HB CYS 32 4.166 1.872 -8.372
197 H CYS 33 H CYS 33 0.097 3.697 -7.508
198 HA CYS 33 HA CYS 33 -0.565 2.471 -10.146
199 1HB CYS 33 2HB CYS 33 -1.721 1.763 -7.637
200 2HB CYS 33 1HB CYS 33 -2.938 2.654 -8.552
201 H GLU 34 H GLU 34 -1.325 4.009 -11.538
202 HA GLU 34 HA GLU 34 -1.557 6.749 -10.836
203 1HB GLU 34 2HB GLU 34 -1.574 5.349 -13.191
204 2HB GLU 34 1HB GLU 34 -3.253 5.864 -13.063
205 1HG GLU 34 2HG GLU 34 -1.652 8.083 -12.310
206 2HG GLU 34 1HG GLU 34 -0.971 7.432 -13.801
207 H GLN 35 H GLN 35 -3.905 7.840 -11.469
208 HA GLN 35 HA GLN 35 -5.585 7.308 -9.260
209 1HB GLN 35 2HB GLN 35 -5.545 9.319 -10.964
210 2HB GLN 35 1HB GLN 35 -6.746 8.357 -11.825
211 1HG GLN 35 2HG GLN 35 -8.189 9.470 -10.435
212 2HG GLN 35 1HG GLN 35 -7.746 8.174 -9.323
213 1HE2 GLN 35 1HE2 GLN 35 -6.633 8.759 -7.414
214 2HE2 GLN 35 2HE2 GLN 35 -6.097 10.334 -7.077
215 H CYS 36 H CYS 36 -5.275 5.672 -12.282
216 HA CYS 36 HA CYS 36 -7.096 3.598 -11.402
217 1HB CYS 36 2HB CYS 36 -7.879 5.492 -13.601
218 2HB CYS 36 1HB CYS 36 -8.396 3.811 -13.664
219 H LYS 37 H LYS 37 -4.310 3.707 -12.084
220 HA LYS 37 HA LYS 37 -4.317 1.666 -14.231
221 1HB LYS 37 2HB LYS 37 -2.857 4.306 -14.428
222 2HB LYS 37 1HB LYS 37 -2.377 2.890 -15.363
223 1HG LYS 37 2HG LYS 37 -5.174 4.052 -15.384
224 2HG LYS 37 1HG LYS 37 -3.945 4.428 -16.591
225 1HD LYS 37 2HD LYS 37 -4.166 1.559 -16.180
226 2HD LYS 37 1HD LYS 37 -5.718 2.259 -16.643
227 1HE LYS 37 2HE LYS 37 -3.781 3.511 -18.277
228 2HE LYS 37 1HE LYS 37 -3.386 1.793 -18.280
229 1HZ LYS 37 1HZ LYS 37 -5.585 1.257 -18.959
230 2HZ LYS 37 2HZ LYS 37 -5.020 2.476 -20.001
231 3HZ LYS 37 3HZ LYS 37 -6.113 2.855 -18.757
232 H PHE 38 H PHE 38 -2.060 0.695 -14.458
233 HA PHE 38 HA PHE 38 -0.888 0.422 -11.745
234 1HB PHE 38 2HB PHE 38 -0.858 -1.204 -14.255
235 2HB PHE 38 1HB PHE 38 0.510 -1.354 -13.158
236 HD1 PHE 38 HD1 PHE 38 -2.252 -3.060 -13.961
237 HD2 PHE 38 HD2 PHE 38 -0.607 -1.101 -10.512
238 HE1 PHE 38 HE1 PHE 38 -3.579 -4.545 -12.485
239 HE2 PHE 38 HE2 PHE 38 -1.934 -2.586 -9.035
240 HZ PHE 38 HZ PHE 38 -3.421 -4.309 -10.020
241 H SER 39 H SER 39 0.734 1.878 -11.321
242 HA SER 39 HA SER 39 2.196 3.371 -13.189
243 1HB SER 39 2HB SER 39 3.195 2.346 -10.542
244 2HB SER 39 1HB SER 39 3.865 3.704 -11.431
245 HG SER 39 HG SER 39 2.325 4.250 -9.741
246 H ARG 40 H ARG 40 4.757 3.001 -13.402
247 HA ARG 40 HA ARG 40 5.011 0.325 -14.583
248 1HB ARG 40 2HB ARG 40 6.003 2.892 -15.240
249 2HB ARG 40 1HB ARG 40 7.398 1.889 -14.842
250 1HG ARG 40 2HG ARG 40 7.235 0.960 -16.885
251 2HG ARG 40 1HG ARG 40 5.705 0.245 -16.376
252 1HD ARG 40 2HD ARG 40 5.103 1.468 -18.292
253 2HD ARG 40 1HD ARG 40 4.685 2.564 -16.975
254 HE ARG 40 HE ARG 40 7.345 3.159 -17.685
255 1HH1 ARG 40 1HH2 ARG 40 4.444 2.777 -19.470
256 2HH1 ARG 40 2HH2 ARG 40 4.659 4.220 -20.403
257 1HH2 ARG 40 1HH1 ARG 40 7.535 5.192 -18.722
258 2HH2 ARG 40 2HH1 ARG 40 6.411 5.588 -19.980
259 H ALA 41 H ALA 41 6.826 -1.071 -14.052
260 HA ALA 41 HA ALA 41 7.354 -1.354 -11.284
261 1HB ALA 41 1HB ALA 41 9.065 -2.958 -11.923
262 2HB ALA 41 2HB ALA 41 9.158 -2.273 -13.545
263 3HB ALA 41 3HB ALA 41 7.705 -3.132 -13.033
264 H GLY 42 H GLY 42 10.083 -1.546 -10.900
265 1HA GLY 42 2HA GLY 42 11.807 -0.126 -10.142
266 2HA GLY 42 1HA GLY 42 11.709 0.561 -11.765
267 H LYS 43 H LYS 43 8.893 0.616 -9.720
268 HA LYS 43 HA LYS 43 8.979 3.555 -9.747
269 1HB LYS 43 2HB LYS 43 6.862 2.636 -10.345
270 2HB LYS 43 1HB LYS 43 6.877 1.535 -8.973
271 1HG LYS 43 2HG LYS 43 5.440 3.218 -8.218
272 2HG LYS 43 1HG LYS 43 6.975 3.741 -7.549
273 1HD LYS 43 2HD LYS 43 7.324 5.261 -9.435
274 2HD LYS 43 1HD LYS 43 5.834 4.693 -10.189
275 1HE LYS 43 2HE LYS 43 4.583 6.082 -8.933
276 2HE LYS 43 1HE LYS 43 5.356 5.525 -7.449
277 1HZ LYS 43 1HZ LYS 43 7.269 7.021 -8.694
278 2HZ LYS 43 2HZ LYS 43 6.311 7.513 -7.380
279 3HZ LYS 43 3HZ LYS 43 5.841 7.895 -8.968
280 H ILE 44 H ILE 44 9.539 4.768 -7.968
281 HA ILE 44 HA ILE 44 10.391 3.350 -5.568
282 HB ILE 44 HB ILE 44 10.628 6.080 -6.638
283 1HG1 ILE 44 2HG1 ILE 44 12.476 4.485 -6.667
284 2HG1 ILE 44 1HG1 ILE 44 12.874 5.819 -5.582
285 1HG2 ILE 44 1HG2 ILE 44 11.356 6.732 -4.170
286 2HG2 ILE 44 2HG2 ILE 44 10.133 5.538 -3.737
287 3HG2 ILE 44 3HG2 ILE 44 9.687 6.946 -4.699
288 1HD1 ILE 44 1HD1 ILE 44 12.639 3.013 -4.966
289 2HD1 ILE 44 2HD1 ILE 44 11.459 3.926 -4.025
290 3HD1 ILE 44 3HD1 ILE 44 13.171 4.331 -3.924
291 H CYS 45 H CYS 45 8.880 2.601 -4.256
292 HA CYS 45 HA CYS 45 6.364 4.121 -3.850
293 1HB CYS 45 2HB CYS 45 5.692 2.021 -2.607
294 2HB CYS 45 1HB CYS 45 6.038 1.789 -4.315
295 H ARG 46 H ARG 46 9.401 3.569 -2.372
296 HA ARG 46 HA ARG 46 8.548 5.126 -0.045
297 1HB ARG 46 2HB ARG 46 8.278 2.410 0.197
298 2HB ARG 46 1HB ARG 46 9.909 2.663 0.822
299 1HG ARG 46 2HG ARG 46 9.181 3.920 2.611
300 2HG ARG 46 1HG ARG 46 7.782 4.546 1.736
301 1HD ARG 46 2HD ARG 46 6.487 2.676 2.188
302 2HD ARG 46 1HD ARG 46 7.886 1.617 2.347
303 HE ARG 46 HE ARG 46 7.802 2.079 4.645
304 1HH1 ARG 46 1HH2 ARG 46 5.394 3.948 3.368
305 2HH1 ARG 46 2HH2 ARG 46 5.534 5.255 4.496
306 1HH2 ARG 46 1HH1 ARG 46 8.500 4.100 5.873
307 2HH2 ARG 46 2HH1 ARG 46 7.293 5.341 5.915
308 H ILE 47 H ILE 47 10.390 5.714 1.341
309 HA ILE 47 HA ILE 47 12.926 5.759 -0.229
310 HB ILE 47 HB ILE 47 12.113 7.977 0.298
311 1HG1 ILE 47 2HG1 ILE 47 13.934 8.753 1.906
312 2HG1 ILE 47 1HG1 ILE 47 14.368 7.055 2.098
313 1HG2 ILE 47 1HG2 ILE 47 11.276 6.654 2.735
314 2HG2 ILE 47 2HG2 ILE 47 10.762 8.212 2.088
315 3HG2 ILE 47 3HG2 ILE 47 12.194 8.111 3.112
316 1HD1 ILE 47 1HD1 ILE 47 14.885 8.868 -0.151
317 2HD1 ILE 47 2HD1 ILE 47 14.206 7.317 -0.645
318 3HD1 ILE 47 3HD1 ILE 47 15.699 7.368 0.294
319 H ALA 48 H ALA 48 14.437 4.326 0.471
320 HA ALA 48 HA ALA 48 14.188 2.947 2.980
321 1HB ALA 48 1HB ALA 48 16.515 3.088 1.035
322 2HB ALA 48 2HB ALA 48 15.235 1.880 1.032
323 3HB ALA 48 3HB ALA 48 16.380 1.941 2.369
324 H ARG 49 H ARG 49 16.122 2.915 4.565
325 HA ARG 49 HA ARG 49 16.442 5.500 5.743
326 1HB ARG 49 2HB ARG 49 17.918 2.952 6.212
327 2HB ARG 49 1HB ARG 49 18.006 4.353 7.271
328 1HG ARG 49 2HG ARG 49 15.574 2.654 6.652
329 2HG ARG 49 1HG ARG 49 16.353 2.879 8.219
330 1HD ARG 49 2HD ARG 49 15.781 5.317 8.093
331 2HD ARG 49 1HD ARG 49 14.883 4.989 6.611
332 HE ARG 49 HE ARG 49 13.744 3.227 8.367
333 1HH1 ARG 49 1HH2 ARG 49 15.029 5.933 9.764
334 2HH1 ARG 49 2HH2 ARG 49 13.529 6.623 10.287
335 1HH2 ARG 49 1HH1 ARG 49 11.572 4.390 8.499
336 2HH2 ARG 49 2HH1 ARG 49 11.574 5.750 9.571
337 H GLY 50 H GLY 50 19.336 3.601 5.239
338 1HA GLY 50 2HA GLY 50 20.462 5.592 3.419
339 2HA GLY 50 1HA GLY 50 21.231 5.475 4.998
340 H ASP 51 H ASP 51 21.345 4.329 1.871
341 HA ASP 51 HA ASP 51 22.799 2.759 0.905
342 1HB ASP 51 2HB ASP 51 23.752 2.977 3.582
343 2HB ASP 51 1HB ASP 51 23.745 1.276 3.117
344 H TRP 52 H TRP 52 21.419 1.376 -0.061
345 HA TRP 52 HA TRP 52 21.118 -1.282 0.630
346 1HB TRP 52 2HB TRP 52 18.523 -1.062 1.318
347 2HB TRP 52 1HB TRP 52 19.811 -1.126 2.505
348 HD1 TRP 52 HD1 TRP 52 18.709 0.328 4.289
349 HE1 TRP 52 HE1 TRP 52 18.077 2.802 4.436
350 HE3 TRP 52 HE3 TRP 52 19.258 1.737 -0.598
351 HZ2 TRP 52 HZ2 TRP 52 17.851 5.088 2.719
352 HZ3 TRP 52 HZ3 TRP 52 18.843 4.061 -1.289
353 HH2 TRP 52 HH2 TRP 52 18.137 5.734 0.396
354 H ASN 53 H ASN 53 18.469 -1.863 -0.234
355 HA ASN 53 HA ASN 53 18.604 -0.813 -3.021
356 1HB ASN 53 2HB ASN 53 18.280 -3.421 -1.962
357 2HB ASN 53 1HB ASN 53 16.722 -2.973 -2.657
358 1HD2 ASN 53 1HD2 ASN 53 19.945 -1.886 -3.789
359 2HD2 ASN 53 2HD2 ASN 53 19.820 -2.604 -5.322
360 H ASP 54 H ASP 54 17.134 0.808 -3.403
361 HA ASP 54 HA ASP 54 15.042 1.517 -1.613
362 1HB ASP 54 2HB ASP 54 16.011 2.414 -4.162
363 2HB ASP 54 1HB ASP 54 14.251 2.340 -4.196
364 H ASP 55 H ASP 55 12.788 1.129 -1.701
365 HA ASP 55 HA ASP 55 12.075 -1.494 -2.760
366 1HB ASP 55 2HB ASP 55 11.170 0.121 -0.670
367 2HB ASP 55 1HB ASP 55 9.843 0.092 -1.825
368 H ARG 56 H ARG 56 11.946 -1.476 -4.978
369 HA ARG 56 HA ARG 56 10.465 0.685 -6.348
370 1HB ARG 56 2HB ARG 56 11.858 -1.730 -7.471
371 2HB ARG 56 1HB ARG 56 11.248 -0.368 -8.397
372 1HG ARG 56 2HG ARG 56 13.166 0.163 -6.159
373 2HG ARG 56 1HG ARG 56 13.800 -0.471 -7.678
374 1HD ARG 56 2HD ARG 56 12.900 1.383 -8.919
375 2HD ARG 56 1HD ARG 56 11.986 1.948 -7.520
376 HE ARG 56 HE ARG 56 14.676 1.935 -6.719
377 1HH1 ARG 56 1HH1 ARG 56 12.710 3.366 -9.171
378 2HH1 ARG 56 2HH1 ARG 56 13.661 4.809 -9.271
379 1HH2 ARG 56 1HH2 ARG 56 15.916 3.819 -6.832
380 2HH2 ARG 56 2HH2 ARG 56 15.473 5.066 -7.950
381 H CYS 57 H CYS 57 8.690 0.141 -7.816
382 HA CYS 57 HA CYS 57 7.066 -2.107 -6.759
383 1HB CYS 57 2HB CYS 57 6.112 -0.109 -8.799
384 2HB CYS 57 1HB CYS 57 5.176 -0.990 -7.600
385 H THR 58 H THR 58 5.882 -3.411 -8.437
386 HA THR 58 HA THR 58 7.735 -4.061 -10.657
387 HB THR 58 HB THR 58 6.686 -6.177 -10.736
388 HG1 THR 58 HG1 THR 58 4.646 -6.421 -9.516
389 1HG2 THR 58 1HG2 THR 58 6.574 -6.921 -8.384
390 2HG2 THR 58 2HG2 THR 58 6.490 -5.239 -7.858
391 3HG2 THR 58 3HG2 THR 58 7.948 -5.847 -8.643
392 H GLY 59 H GLY 59 6.313 -4.914 -12.688
393 1HA GLY 59 1HA GLY 59 4.933 -2.521 -13.648
394 2HA GLY 59 2HA GLY 59 5.235 -3.986 -14.582
395 H GLN 60 H GLN 60 3.887 -4.843 -11.633
396 HA GLN 60 HA GLN 60 1.087 -4.479 -12.505
397 1HB GLN 60 2HB GLN 60 2.245 -7.234 -11.984
398 2HB GLN 60 1HB GLN 60 0.576 -6.862 -12.420
399 1HG GLN 60 2HG GLN 60 1.340 -5.935 -14.574
400 2HG GLN 60 1HG GLN 60 3.010 -6.307 -14.144
401 1HE2 GLN 60 1HE2 GLN 60 3.431 -7.970 -15.681
402 2HE2 GLN 60 2HE2 GLN 60 2.564 -9.429 -15.736
403 H SER 61 H SER 61 2.761 -3.593 -10.212
404 HA SER 61 HA SER 61 1.185 -4.906 -8.030
405 1HB SER 61 2HB SER 61 3.446 -5.482 -7.598
406 2HB SER 61 1HB SER 61 4.028 -3.888 -8.070
407 HG SER 61 HG SER 61 3.881 -3.469 -6.015
408 H ALA 62 H ALA 62 -0.163 -3.530 -6.958
409 HA ALA 62 HA ALA 62 0.087 -0.621 -7.517
410 1HB ALA 62 1HB ALA 62 -2.115 -2.407 -7.175
411 2HB ALA 62 2HB ALA 62 -2.164 -0.681 -7.534
412 3HB ALA 62 3HB ALA 62 -2.170 -1.234 -5.861
413 H ASP 63 H ASP 63 0.535 -2.944 -4.967
414 HA ASP 63 HA ASP 63 0.716 -0.740 -2.977
415 1HB ASP 63 2HB ASP 63 1.019 -3.615 -2.269
416 2HB ASP 63 1HB ASP 63 0.376 -2.297 -1.300
417 H CYS 64 H CYS 64 2.558 -1.300 -1.277
418 HA CYS 64 HA CYS 64 5.006 -2.129 -2.769
419 1HB CYS 64 2HB CYS 64 5.003 0.289 -2.812
420 2HB CYS 64 1HB CYS 64 4.625 0.362 -1.091
421 HA PRO 65 HA PRO 65 5.521 -4.419 0.965
422 1HB PRO 65 2HB PRO 65 7.796 -5.673 0.099
423 2HB PRO 65 1HB PRO 65 6.176 -6.183 -0.374
424 1HG PRO 65 2HG PRO 65 8.258 -4.776 -1.960
425 2HG PRO 65 1HG PRO 65 6.901 -5.767 -2.521
426 1HD PRO 65 2HD PRO 65 7.025 -2.932 -2.518
427 2HD PRO 65 1HD PRO 65 5.586 -3.929 -2.824
428 H ARG 66 H ARG 66 6.116 -2.581 2.318
429 HA ARG 66 HA ARG 66 8.567 -1.167 2.157
430 1HB ARG 66 2HB ARG 66 8.125 -0.447 4.436
431 2HB ARG 66 1HB ARG 66 6.597 -0.494 3.553
432 1HG ARG 66 2HG ARG 66 6.650 -3.027 4.498
433 2HG ARG 66 1HG ARG 66 7.549 -2.213 5.780
434 1HD ARG 66 2HD ARG 66 4.940 -1.098 4.755
435 2HD ARG 66 1HD ARG 66 4.974 -2.332 6.015
436 HE ARG 66 HE ARG 66 5.956 -0.733 7.507
437 1HH1 ARG 66 1HH2 ARG 66 4.377 0.682 4.944
438 2HH1 ARG 66 2HH2 ARG 66 5.165 2.220 5.060
439 1HH2 ARG 66 1HH1 ARG 66 7.502 1.146 7.386
440 2HH2 ARG 66 2HH1 ARG 66 6.933 2.482 6.442
441 H TYR 67 H TYR 67 10.544 -2.106 2.225
442 HA TYR 67 HA TYR 67 10.994 -4.635 3.570
443 1HB TYR 67 2HB TYR 67 12.435 -2.899 1.735
444 2HB TYR 67 1HB TYR 67 13.487 -3.600 2.962
445 HD1 TYR 67 HD1 TYR 67 10.371 -5.166 1.711
446 HD2 TYR 67 HD2 TYR 67 14.663 -5.159 1.549
447 HE1 TYR 67 HE1 TYR 67 10.329 -7.331 0.502
448 HE2 TYR 67 HE2 TYR 67 14.623 -7.325 0.342
449 HH TYR 67 HH TYR 67 12.422 -8.485 -1.271
450 H HIS 68 HN HIS 68 12.419 -1.377 3.996
451 HA HIS 68 HA HIS 68 13.207 -2.154 6.750
452 1HB HIS 68 2HB HIS 68 14.464 -0.634 4.788
453 2HB HIS 68 1HB HIS 68 13.856 0.574 5.919
454 HD1 HIS 68 HD1 HIS 68 16.921 -0.545 5.498
455 HD2 HIS 68 HD2 HIS 68 14.339 -1.299 8.683
456 HE1 HIS 68 HE1 HIS 68 18.379 -1.194 7.464
Start of MODEL 15
1 1H GLY 1 1HT GLY 1 -12.156 -13.877 -2.636
2 2H GLY 1 2HT GLY 1 -11.590 -15.340 -1.985
3 3H GLY 1 3HT GLY 1 -10.833 -14.665 -3.347
4 1HA GLY 1 1HA GLY 1 -10.765 -13.708 -0.547
5 2HA GLY 1 2HA GLY 1 -9.408 -14.162 -1.579
6 H LYS 2 H LYS 2 -10.336 -11.536 -0.194
7 HA LYS 2 HA LYS 2 -10.285 -9.242 -0.698
8 1HB LYS 2 2HB LYS 2 -8.671 -10.255 -3.059
9 2HB LYS 2 1HB LYS 2 -8.708 -8.591 -2.477
10 1HG LYS 2 2HG LYS 2 -7.649 -9.178 -0.424
11 2HG LYS 2 1HG LYS 2 -7.913 -10.900 -0.695
12 1HD LYS 2 2HD LYS 2 -6.243 -9.232 -2.583
13 2HD LYS 2 1HD LYS 2 -5.545 -10.009 -1.161
14 1HE LYS 2 2HE LYS 2 -5.528 -12.020 -2.177
15 2HE LYS 2 1HE LYS 2 -7.226 -11.865 -2.628
16 1HZ LYS 2 1HZ LYS 2 -5.754 -12.028 -4.560
17 2HZ LYS 2 2HZ LYS 2 -4.958 -10.607 -4.075
18 3HZ LYS 2 3HZ LYS 2 -6.595 -10.555 -4.530
19 H GLU 3 H GLU 3 -12.624 -9.332 -1.171
20 HA GLU 3 HA GLU 3 -13.230 -9.241 -4.093
21 1HB GLU 3 2HB GLU 3 -15.641 -9.462 -3.272
22 2HB GLU 3 1HB GLU 3 -14.612 -10.874 -3.025
23 1HG GLU 3 2HG GLU 3 -14.689 -10.681 -0.764
24 2HG GLU 3 1HG GLU 3 -14.513 -8.927 -0.819
25 H CYS 4 H CYS 4 -11.992 -7.003 -2.900
26 HA CYS 4 HA CYS 4 -13.996 -4.970 -3.488
27 1HB CYS 4 2HB CYS 4 -14.302 -5.499 -1.035
28 2HB CYS 4 1HB CYS 4 -12.695 -4.852 -0.810
29 H ASP 5 H ASP 5 -12.258 -4.964 -5.176
30 HA ASP 5 HA ASP 5 -9.609 -4.347 -4.978
31 1HB ASP 5 2HB ASP 5 -11.038 -4.362 -7.088
32 2HB ASP 5 1HB ASP 5 -11.448 -2.689 -6.715
33 H CYS 6 H CYS 6 -12.284 -2.164 -4.215
34 HA CYS 6 HA CYS 6 -10.404 -0.495 -2.657
35 1HB CYS 6 2HB CYS 6 -12.296 0.870 -4.564
36 2HB CYS 6 1HB CYS 6 -10.910 1.551 -3.719
37 H SER 7 H SER 7 -11.439 0.502 -0.899
38 HA SER 7 HA SER 7 -14.268 -0.330 -0.491
39 1HB SER 7 2HB SER 7 -11.971 -0.252 1.195
40 2HB SER 7 1HB SER 7 -13.167 0.864 1.843
41 HG SER 7 HG SER 7 -13.275 -1.492 2.423
42 H SER 8 H SER 8 -12.414 2.396 -1.293
43 HA SER 8 HA SER 8 -13.851 4.460 0.060
44 1HB SER 8 2HB SER 8 -13.124 5.593 -2.352
45 2HB SER 8 1HB SER 8 -12.101 5.508 -0.920
46 HG SER 8 HG SER 8 -10.871 4.221 -2.016
47 HA PRO 9 HA PRO 9 -17.645 3.918 -2.244
48 1HB PRO 9 2HB PRO 9 -19.075 5.764 -0.793
49 2HB PRO 9 1HB PRO 9 -18.763 4.110 -0.237
50 1HG PRO 9 2HG PRO 9 -17.522 6.660 0.680
51 2HG PRO 9 1HG PRO 9 -17.729 5.134 1.556
52 1HD PRO 9 2HD PRO 9 -15.331 6.051 0.354
53 2HD PRO 9 1HD PRO 9 -15.641 4.408 0.954
54 H GLU 10 H GLU 10 -15.459 6.372 -2.401
55 HA GLU 10 HA GLU 10 -17.204 7.970 -4.233
56 1HB GLU 10 2HB GLU 10 -15.897 9.961 -3.621
57 2HB GLU 10 1HB GLU 10 -16.635 9.246 -2.186
58 1HG GLU 10 2HG GLU 10 -14.046 8.051 -2.701
59 2HG GLU 10 1HG GLU 10 -13.906 9.805 -2.573
60 H ASN 11 H ASN 11 -14.434 6.039 -3.919
61 HA ASN 11 HA ASN 11 -12.737 7.260 -5.876
62 1HB ASN 11 2HB ASN 11 -12.596 5.043 -4.178
63 2HB ASN 11 1HB ASN 11 -12.529 4.358 -5.803
64 1HD2 ASN 11 1HD2 ASN 11 -10.249 4.419 -3.990
65 2HD2 ASN 11 2HD2 ASN 11 -9.067 5.413 -4.696
66 HA PRO 12 HA PRO 12 -15.262 6.120 -9.379
67 1HB PRO 12 2HB PRO 12 -13.642 7.310 -11.255
68 2HB PRO 12 1HB PRO 12 -14.791 8.206 -10.245
69 1HG PRO 12 2HG PRO 12 -11.820 8.067 -10.037
70 2HG PRO 12 1HG PRO 12 -12.922 9.353 -9.518
71 1HD PRO 12 2HD PRO 12 -11.713 7.422 -7.834
72 2HD PRO 12 1HD PRO 12 -13.056 8.500 -7.394
73 H CYS 13 H CYS 13 -12.084 5.123 -8.636
74 HA CYS 13 HA CYS 13 -11.714 3.494 -11.067
75 1HB CYS 13 2HB CYS 13 -10.107 3.990 -8.571
76 2HB CYS 13 1HB CYS 13 -9.711 2.643 -9.634
77 H CYS 14 H CYS 14 -13.554 3.144 -8.290
78 HA CYS 14 HA CYS 14 -13.603 0.218 -8.746
79 1HB CYS 14 2HB CYS 14 -12.793 1.579 -6.208
80 2HB CYS 14 1HB CYS 14 -13.668 0.050 -6.118
81 H ASP 15 H ASP 15 -15.639 -0.531 -8.755
82 HA ASP 15 HA ASP 15 -17.920 1.116 -8.414
83 1HB ASP 15 2HB ASP 15 -17.573 -1.303 -9.472
84 2HB ASP 15 1HB ASP 15 -18.125 -1.796 -7.876
85 H ALA 16 H ALA 16 -18.911 1.814 -6.580
86 HA ALA 16 HA ALA 16 -17.869 0.961 -3.991
87 1HB ALA 16 1HB ALA 16 -18.958 2.838 -3.101
88 2HB ALA 16 2HB ALA 16 -20.187 2.836 -4.366
89 3HB ALA 16 3HB ALA 16 -18.545 3.364 -4.733
90 H ALA 17 H ALA 17 -19.839 -0.657 -5.873
91 HA ALA 17 HA ALA 17 -21.737 -1.335 -3.658
92 1HB ALA 17 1HB ALA 17 -23.059 -0.445 -5.440
93 2HB ALA 17 2HB ALA 17 -23.221 -2.197 -5.559
94 3HB ALA 17 3HB ALA 17 -22.144 -1.334 -6.657
95 H THR 18 H THR 18 -20.100 -2.666 -6.538
96 HA THR 18 HA THR 18 -20.316 -5.382 -5.441
97 HB THR 18 HB THR 18 -19.602 -4.149 -8.022
98 HG1 THR 18 HG1 THR 18 -20.789 -5.933 -8.731
99 1HG2 THR 18 1HG2 THR 18 -17.495 -5.315 -7.577
100 2HG2 THR 18 2HG2 THR 18 -18.408 -6.175 -8.818
101 3HG2 THR 18 3HG2 THR 18 -18.379 -6.783 -7.162
102 H CYS 19 H CYS 19 -18.390 -2.838 -4.724
103 HA CYS 19 HA CYS 19 -16.209 -2.621 -3.863
104 1HB CYS 19 2HB CYS 19 -17.428 -4.983 -2.767
105 2HB CYS 19 1HB CYS 19 -15.697 -5.209 -2.911
106 H LYS 20 H LYS 20 -15.339 -2.427 -6.050
107 HA LYS 20 HA LYS 20 -13.108 -4.109 -6.526
108 1HB LYS 20 2HB LYS 20 -15.640 -5.020 -7.770
109 2HB LYS 20 1HB LYS 20 -14.231 -4.967 -8.830
110 1HG LYS 20 2HG LYS 20 -13.181 -6.106 -6.560
111 2HG LYS 20 1HG LYS 20 -14.813 -6.779 -6.589
112 1HD LYS 20 2HD LYS 20 -14.493 -7.825 -8.652
113 2HD LYS 20 1HD LYS 20 -13.188 -6.734 -9.116
114 1HE LYS 20 2HE LYS 20 -11.693 -8.231 -8.355
115 2HE LYS 20 1HE LYS 20 -12.364 -8.049 -6.734
116 1HZ LYS 20 1HZ LYS 20 -13.843 -9.803 -7.071
117 2HZ LYS 20 2HZ LYS 20 -12.387 -10.359 -7.744
118 3HZ LYS 20 3HZ LYS 20 -13.632 -9.795 -8.754
119 H LEU 21 H LEU 21 -12.742 -3.914 -9.243
120 HA LEU 21 HA LEU 21 -12.511 -1.008 -9.573
121 1HB LEU 21 2HB LEU 21 -11.562 -3.414 -11.093
122 2HB LEU 21 1HB LEU 21 -11.608 -1.849 -11.904
123 HG LEU 21 HG LEU 21 -10.337 -2.118 -9.190
124 1HD1 LEU 21 1HD1 LEU 21 -8.544 -3.210 -10.005
125 2HD1 LEU 21 2HD1 LEU 21 -8.445 -2.118 -11.387
126 3HD1 LEU 21 3HD1 LEU 21 -9.490 -3.536 -11.456
127 1HD2 LEU 21 1HD2 LEU 21 -10.726 -0.058 -11.154
128 2HD2 LEU 21 2HD2 LEU 21 -8.998 -0.350 -10.953
129 3HD2 LEU 21 3HD2 LEU 21 -9.991 0.069 -9.556
130 H ARG 22 H ARG 22 -13.994 0.212 -10.647
131 HA ARG 22 HA ARG 22 -16.286 -1.177 -11.860
132 1HB ARG 22 2HB ARG 22 -16.885 0.675 -10.489
133 2HB ARG 22 1HB ARG 22 -15.727 1.736 -11.280
134 1HG ARG 22 2HG ARG 22 -17.429 0.673 -13.306
135 2HG ARG 22 1HG ARG 22 -18.455 1.247 -11.991
136 1HD ARG 22 2HD ARG 22 -17.554 3.442 -12.098
137 2HD ARG 22 1HD ARG 22 -16.186 2.916 -13.079
138 HE ARG 22 HE ARG 22 -18.951 2.771 -14.189
139 1HH1 ARG 22 1HH1 ARG 22 -16.317 4.843 -13.935
140 2HH1 ARG 22 2HH1 ARG 22 -16.130 5.098 -15.638
141 1HH2 ARG 22 1HH2 ARG 22 -18.450 2.675 -16.524
142 2HH2 ARG 22 2HH2 ARG 22 -17.339 3.870 -17.104
143 HA PRO 23 HA PRO 23 -14.592 1.055 -15.706
144 1HB PRO 23 2HB PRO 23 -12.101 2.196 -15.542
145 2HB PRO 23 1HB PRO 23 -13.597 3.068 -15.168
146 1HG PRO 23 2HG PRO 23 -11.517 2.036 -13.308
147 2HG PRO 23 1HG PRO 23 -12.680 3.349 -13.071
148 1HD PRO 23 2HD PRO 23 -12.878 0.702 -12.037
149 2HD PRO 23 1HD PRO 23 -14.130 1.957 -11.993
150 H GLY 24 H GLY 24 -12.318 0.778 -17.133
151 1HA GLY 24 2HA GLY 24 -11.652 -2.082 -16.803
152 2HA GLY 24 1HA GLY 24 -11.225 -1.074 -18.188
153 H ALA 25 H ALA 25 -10.640 0.380 -15.166
154 HA ALA 25 HA ALA 25 -7.865 0.716 -15.571
155 1HB ALA 25 1HB ALA 25 -9.429 0.771 -12.974
156 2HB ALA 25 2HB ALA 25 -9.230 2.129 -14.078
157 3HB ALA 25 3HB ALA 25 -7.835 1.475 -13.224
158 H GLN 26 H GLN 26 -6.300 -0.031 -13.663
159 HA GLN 26 HA GLN 26 -6.663 -2.981 -13.338
160 1HB GLN 26 2HB GLN 26 -4.547 -1.495 -14.575
161 2HB GLN 26 1HB GLN 26 -3.910 -2.305 -13.144
162 1HG GLN 26 2HG GLN 26 -3.702 -4.049 -14.627
163 2HG GLN 26 1HG GLN 26 -5.379 -4.319 -14.151
164 1HE2 GLN 26 1HE2 GLN 26 -7.063 -3.190 -15.596
165 2HE2 GLN 26 2HE2 GLN 26 -6.710 -3.042 -17.249
166 H CYS 27 H CYS 27 -6.885 -0.238 -11.656
167 HA CYS 27 HA CYS 27 -6.574 -1.431 -9.100
168 1HB CYS 27 2HB CYS 27 -4.525 -0.417 -8.295
169 2HB CYS 27 1HB CYS 27 -4.151 -1.342 -9.751
170 H GLY 28 H GLY 28 -7.660 -0.168 -7.643
171 1HA GLY 28 2HA GLY 28 -8.245 2.636 -8.494
172 2HA GLY 28 1HA GLY 28 -9.373 1.638 -7.584
173 H GLU 29 H GLU 29 -6.264 1.063 -6.451
174 HA GLU 29 HA GLU 29 -5.784 3.333 -4.799
175 1HB GLU 29 2HB GLU 29 -6.699 2.610 -2.670
176 2HB GLU 29 1HB GLU 29 -8.003 2.648 -3.858
177 1HG GLU 29 2HG GLU 29 -8.433 0.520 -3.215
178 2HG GLU 29 1HG GLU 29 -6.996 0.087 -4.142
179 H GLY 30 H GLY 30 -3.663 3.091 -4.331
180 1HA GLY 30 2HA GLY 30 -2.550 0.872 -2.954
181 2HA GLY 30 1HA GLY 30 -2.223 0.660 -4.675
182 H LEU 31 H LEU 31 -0.026 0.979 -3.119
183 HA LEU 31 HA LEU 31 0.753 3.711 -2.680
184 1HB LEU 31 2HB LEU 31 1.947 1.107 -2.408
185 2HB LEU 31 1HB LEU 31 3.093 2.232 -3.125
186 HG LEU 31 HG LEU 31 1.511 2.705 -0.579
187 1HD1 LEU 31 1HD1 LEU 31 3.756 2.565 0.494
188 2HD1 LEU 31 2HD1 LEU 31 4.442 2.092 -1.061
189 3HD1 LEU 31 3HD1 LEU 31 3.274 1.044 -0.258
190 1HD2 LEU 31 1HD2 LEU 31 3.708 4.472 -0.843
191 2HD2 LEU 31 2HD2 LEU 31 1.995 4.879 -0.932
192 3HD2 LEU 31 3HD2 LEU 31 2.883 4.480 -2.402
193 H CYS 32 H CYS 32 1.263 1.442 -5.369
194 HA CYS 32 HA CYS 32 2.227 3.771 -6.975
195 1HB CYS 32 2HB CYS 32 3.123 1.742 -8.460
196 2HB CYS 32 1HB CYS 32 4.062 2.388 -7.118
197 H CYS 33 H CYS 33 -0.517 3.371 -6.708
198 HA CYS 33 HA CYS 33 -1.303 2.012 -9.245
199 1HB CYS 33 2HB CYS 33 -2.660 1.246 -7.429
200 2HB CYS 33 1HB CYS 33 -2.903 2.880 -6.824
201 H GLU 34 H GLU 34 -1.119 3.434 -10.912
202 HA GLU 34 HA GLU 34 -1.336 6.284 -10.634
203 1HB GLU 34 2HB GLU 34 -0.382 4.619 -12.570
204 2HB GLU 34 1HB GLU 34 -1.896 5.164 -13.287
205 1HG GLU 34 2HG GLU 34 -0.909 7.106 -13.833
206 2HG GLU 34 1HG GLU 34 -0.702 7.447 -12.115
207 H GLN 35 H GLN 35 -2.972 7.272 -12.511
208 HA GLN 35 HA GLN 35 -5.536 7.252 -11.304
209 1HB GLN 35 2HB GLN 35 -6.281 8.455 -13.333
210 2HB GLN 35 1HB GLN 35 -4.746 9.089 -12.737
211 1HG GLN 35 2HG GLN 35 -4.252 6.894 -14.542
212 2HG GLN 35 1HG GLN 35 -5.290 8.087 -15.325
213 1HE2 GLN 35 1HE2 GLN 35 -2.362 7.509 -15.811
214 2HE2 GLN 35 2HE2 GLN 35 -1.571 8.991 -15.566
215 H CYS 36 H CYS 36 -6.167 5.015 -11.110
216 HA CYS 36 HA CYS 36 -7.352 3.113 -11.821
217 1HB CYS 36 2HB CYS 36 -8.073 5.258 -13.699
218 2HB CYS 36 1HB CYS 36 -8.259 3.641 -14.362
219 H LYS 37 H LYS 37 -4.482 3.307 -12.401
220 HA LYS 37 HA LYS 37 -4.357 1.169 -14.391
221 1HB LYS 37 2HB LYS 37 -4.253 3.658 -15.470
222 2HB LYS 37 1HB LYS 37 -2.544 3.401 -15.115
223 1HG LYS 37 2HG LYS 37 -2.462 2.230 -17.048
224 2HG LYS 37 1HG LYS 37 -3.349 0.969 -16.191
225 1HD LYS 37 2HD LYS 37 -5.484 1.988 -16.896
226 2HD LYS 37 1HD LYS 37 -4.599 3.246 -17.758
227 1HE LYS 37 2HE LYS 37 -4.577 0.273 -18.344
228 2HE LYS 37 1HE LYS 37 -5.229 1.555 -19.367
229 1HZ LYS 37 1HZ LYS 37 -2.736 2.411 -19.018
230 2HZ LYS 37 2HZ LYS 37 -3.212 1.423 -20.316
231 3HZ LYS 37 3HZ LYS 37 -2.477 0.737 -18.946
232 H PHE 38 H PHE 38 -2.620 -0.145 -13.943
233 HA PHE 38 HA PHE 38 -1.132 0.094 -11.571
234 1HB PHE 38 2HB PHE 38 -0.576 -1.355 -14.163
235 2HB PHE 38 1HB PHE 38 0.551 -1.438 -12.810
236 HD1 PHE 38 HD1 PHE 38 -1.544 -3.499 -14.244
237 HD2 PHE 38 HD2 PHE 38 -1.316 -1.414 -10.494
238 HE1 PHE 38 HE1 PHE 38 -2.942 -5.251 -13.186
239 HE2 PHE 38 HE2 PHE 38 -2.717 -3.167 -9.438
240 HZ PHE 38 HZ PHE 38 -3.528 -5.084 -10.782
241 H SER 39 H SER 39 0.537 1.431 -11.001
242 HA SER 39 HA SER 39 1.495 3.505 -12.660
243 1HB SER 39 2HB SER 39 2.644 2.203 -10.222
244 2HB SER 39 1HB SER 39 3.463 3.536 -11.017
245 HG SER 39 HG SER 39 0.735 3.786 -10.469
246 H ARG 40 H ARG 40 4.173 3.545 -12.861
247 HA ARG 40 HA ARG 40 4.712 1.323 -14.720
248 1HB ARG 40 2HB ARG 40 6.646 3.536 -14.444
249 2HB ARG 40 1HB ARG 40 6.068 2.735 -15.899
250 1HG ARG 40 2HG ARG 40 3.774 3.929 -15.089
251 2HG ARG 40 1HG ARG 40 4.951 5.083 -14.463
252 1HD ARG 40 2HD ARG 40 5.898 4.475 -17.017
253 2HD ARG 40 1HD ARG 40 4.149 4.580 -17.222
254 HE ARG 40 HE ARG 40 5.237 6.796 -15.675
255 1HH1 ARG 40 1HH2 ARG 40 3.013 6.486 -17.902
256 2HH1 ARG 40 2HH2 ARG 40 3.645 7.593 -19.076
257 1HH2 ARG 40 1HH1 ARG 40 6.763 7.813 -17.577
258 2HH2 ARG 40 2HH1 ARG 40 5.767 8.344 -18.891
259 H ALA 41 H ALA 41 6.316 -0.167 -14.322
260 HA ALA 41 HA ALA 41 7.234 -0.717 -11.751
261 1HB ALA 41 1HB ALA 41 7.838 -2.506 -13.017
262 2HB ALA 41 2HB ALA 41 9.329 -1.611 -13.317
263 3HB ALA 41 3HB ALA 41 8.000 -1.525 -14.473
264 H GLY 42 H GLY 42 9.788 -0.713 -11.264
265 1HA GLY 42 2HA GLY 42 11.596 0.662 -10.668
266 2HA GLY 42 1HA GLY 42 11.314 1.513 -12.184
267 H LYS 43 H LYS 43 8.780 1.126 -9.808
268 HA LYS 43 HA LYS 43 8.782 4.071 -9.454
269 1HB LYS 43 2HB LYS 43 6.652 3.541 -10.163
270 2HB LYS 43 1HB LYS 43 6.692 1.945 -9.424
271 1HG LYS 43 2HG LYS 43 5.111 3.403 -8.236
272 2HG LYS 43 1HG LYS 43 6.465 2.992 -7.186
273 1HD LYS 43 2HD LYS 43 7.380 5.127 -7.306
274 2HD LYS 43 1HD LYS 43 6.620 5.475 -8.860
275 1HE LYS 43 2HE LYS 43 4.412 5.121 -7.331
276 2HE LYS 43 1HE LYS 43 5.524 5.749 -6.116
277 1HZ LYS 43 1HZ LYS 43 4.217 7.125 -8.213
278 2HZ LYS 43 2HZ LYS 43 5.899 7.286 -8.380
279 3HZ LYS 43 3HZ LYS 43 5.138 7.755 -6.935
280 H ILE 44 H ILE 44 9.461 4.903 -7.529
281 HA ILE 44 HA ILE 44 10.178 3.095 -5.358
282 HB ILE 44 HB ILE 44 11.596 5.000 -5.745
283 1HG1 ILE 44 2HG1 ILE 44 11.312 6.241 -3.515
284 2HG1 ILE 44 1HG1 ILE 44 9.902 5.216 -3.246
285 1HG2 ILE 44 1HG2 ILE 44 8.982 6.382 -5.874
286 2HG2 ILE 44 2HG2 ILE 44 10.474 6.702 -6.760
287 3HG2 ILE 44 3HG2 ILE 44 10.286 7.288 -5.106
288 1HD1 ILE 44 1HD1 ILE 44 11.199 3.466 -2.674
289 2HD1 ILE 44 2HD1 ILE 44 12.581 4.561 -2.708
290 3HD1 ILE 44 3HD1 ILE 44 12.155 3.633 -4.145
291 H CYS 45 H CYS 45 8.268 2.191 -4.619
292 HA CYS 45 HA CYS 45 5.970 3.819 -3.837
293 1HB CYS 45 2HB CYS 45 5.188 1.602 -2.852
294 2HB CYS 45 1HB CYS 45 5.456 1.620 -4.593
295 H ARG 46 H ARG 46 8.931 2.955 -2.355
296 HA ARG 46 HA ARG 46 8.040 4.207 0.148
297 1HB ARG 46 2HB ARG 46 8.051 1.352 -0.127
298 2HB ARG 46 1HB ARG 46 9.324 1.816 1.002
299 1HG ARG 46 2HG ARG 46 6.621 3.097 1.246
300 2HG ARG 46 1HG ARG 46 6.858 1.465 1.873
301 1HD ARG 46 2HD ARG 46 8.466 2.161 3.437
302 2HD ARG 46 1HD ARG 46 8.803 3.656 2.565
303 HE ARG 46 HE ARG 46 6.081 3.703 3.411
304 1HH1 ARG 46 1HH2 ARG 46 7.183 2.624 5.926
305 2HH1 ARG 46 2HH2 ARG 46 7.703 4.047 6.765
306 1HH2 ARG 46 1HH1 ARG 46 7.663 6.053 3.938
307 2HH2 ARG 46 2HH1 ARG 46 7.975 5.987 5.640
308 H ILE 47 H ILE 47 9.701 5.489 0.775
309 HA ILE 47 HA ILE 47 12.375 5.087 -0.365
310 HB ILE 47 HB ILE 47 11.579 7.366 -0.171
311 1HG1 ILE 47 2HG1 ILE 47 13.371 8.344 1.259
312 2HG1 ILE 47 1HG1 ILE 47 13.673 6.745 1.937
313 1HG2 ILE 47 1HG2 ILE 47 11.540 7.842 2.612
314 2HG2 ILE 47 2HG2 ILE 47 10.586 6.381 2.358
315 3HG2 ILE 47 3HG2 ILE 47 10.164 7.868 1.509
316 1HD1 ILE 47 1HD1 ILE 47 15.044 7.678 -0.174
317 2HD1 ILE 47 2HD1 ILE 47 13.674 6.973 -1.032
318 3HD1 ILE 47 3HD1 ILE 47 14.669 5.965 0.019
319 H ALA 48 H ALA 48 14.082 4.145 0.689
320 HA ALA 48 HA ALA 48 13.574 2.931 3.295
321 1HB ALA 48 1HB ALA 48 15.974 2.046 2.885
322 2HB ALA 48 2HB ALA 48 15.799 2.744 1.273
323 3HB ALA 48 3HB ALA 48 14.698 1.480 1.811
324 H ARG 49 H ARG 49 15.863 3.006 4.699
325 HA ARG 49 HA ARG 49 15.927 5.580 5.887
326 1HB ARG 49 2HB ARG 49 18.055 3.482 6.012
327 2HB ARG 49 1HB ARG 49 17.828 4.790 7.162
328 1HG ARG 49 2HG ARG 49 16.022 2.418 6.650
329 2HG ARG 49 1HG ARG 49 16.797 2.887 8.163
330 1HD ARG 49 2HD ARG 49 15.373 5.141 7.624
331 2HD ARG 49 1HD ARG 49 14.320 3.921 6.909
332 HE ARG 49 HE ARG 49 14.326 4.401 9.615
333 1HH1 ARG 49 1HH1 ARG 49 12.935 2.034 8.336
334 2HH1 ARG 49 2HH1 ARG 49 13.640 0.710 9.200
335 1HH2 ARG 49 1HH2 ARG 49 16.283 2.583 10.442
336 2HH2 ARG 49 2HH2 ARG 49 15.537 1.020 10.393
337 H GLY 50 H GLY 50 19.025 4.361 4.785
338 1HA GLY 50 2HA GLY 50 19.371 6.876 3.258
339 2HA GLY 50 1HA GLY 50 20.633 6.256 4.304
340 H ASP 51 H ASP 51 21.124 3.744 3.659
341 HA ASP 51 HA ASP 51 21.398 3.712 0.702
342 1HB ASP 51 2HB ASP 51 23.403 3.600 2.757
343 2HB ASP 51 1HB ASP 51 23.441 2.127 1.789
344 H TRP 52 H TRP 52 20.607 1.928 -0.295
345 HA TRP 52 HA TRP 52 20.742 -0.755 0.493
346 1HB TRP 52 2HB TRP 52 18.104 -0.748 1.222
347 2HB TRP 52 1HB TRP 52 19.430 -0.742 2.376
348 HD1 TRP 52 HD1 TRP 52 18.578 0.782 4.214
349 HE1 TRP 52 HE1 TRP 52 17.792 3.215 4.324
350 HE3 TRP 52 HE3 TRP 52 18.284 1.909 -0.765
351 HZ2 TRP 52 HZ2 TRP 52 17.123 5.362 2.553
352 HZ3 TRP 52 HZ3 TRP 52 17.581 4.150 -1.506
353 HH2 TRP 52 HH2 TRP 52 17.003 5.878 0.173
354 H ASN 53 H ASN 53 18.177 -1.698 -0.252
355 HA ASN 53 HA ASN 53 18.089 -0.802 -3.085
356 1HB ASN 53 2HB ASN 53 17.878 -3.337 -1.813
357 2HB ASN 53 1HB ASN 53 16.293 -2.978 -2.497
358 1HD2 ASN 53 1HD2 ASN 53 16.902 -4.811 -4.055
359 2HD2 ASN 53 2HD2 ASN 53 17.835 -4.415 -5.417
360 H ASP 54 H ASP 54 16.684 0.928 -3.262
361 HA ASP 54 HA ASP 54 14.594 1.530 -1.450
362 1HB ASP 54 2HB ASP 54 15.396 2.425 -4.132
363 2HB ASP 54 1HB ASP 54 13.692 2.654 -3.763
364 H ASP 55 H ASP 55 12.261 1.339 -1.762
365 HA ASP 55 HA ASP 55 11.522 -1.295 -2.781
366 1HB ASP 55 2HB ASP 55 10.470 0.592 -0.923
367 2HB ASP 55 1HB ASP 55 9.229 0.255 -2.122
368 H ARG 56 H ARG 56 11.302 -1.514 -4.952
369 HA ARG 56 HA ARG 56 10.150 0.732 -6.537
370 1HB ARG 56 2HB ARG 56 12.324 -0.995 -6.959
371 2HB ARG 56 1HB ARG 56 11.073 -1.546 -8.073
372 1HG ARG 56 2HG ARG 56 12.504 0.218 -9.076
373 2HG ARG 56 1HG ARG 56 10.818 0.713 -8.953
374 1HD ARG 56 2HD ARG 56 12.702 2.361 -8.164
375 2HD ARG 56 1HD ARG 56 11.236 2.191 -7.199
376 HE ARG 56 HE ARG 56 12.501 0.860 -5.601
377 1HH1 ARG 56 1HH2 ARG 56 14.233 3.311 -6.724
378 2HH1 ARG 56 2HH2 ARG 56 15.797 2.572 -6.653
379 1HH2 ARG 56 1HH1 ARG 56 14.552 -0.630 -6.174
380 2HH2 ARG 56 2HH1 ARG 56 15.977 0.339 -6.340
381 H CYS 57 H CYS 57 8.385 0.292 -7.982
382 HA CYS 57 HA CYS 57 6.774 -2.082 -7.185
383 1HB CYS 57 2HB CYS 57 6.090 0.631 -8.285
384 2HB CYS 57 1HB CYS 57 5.006 -0.719 -8.612
385 H THR 58 H THR 58 5.648 -3.201 -8.977
386 HA THR 58 HA THR 58 7.447 -3.471 -11.307
387 HB THR 58 HB THR 58 6.595 -5.603 -11.544
388 HG1 THR 58 HG1 THR 58 4.434 -6.092 -11.106
389 1HG2 THR 58 1HG2 THR 58 5.407 -5.555 -8.847
390 2HG2 THR 58 2HG2 THR 58 7.030 -4.872 -8.935
391 3HG2 THR 58 3HG2 THR 58 6.739 -6.527 -9.472
392 H GLY 59 H GLY 59 6.242 -3.808 -13.486
393 1HA GLY 59 2HA GLY 59 4.731 -1.405 -14.037
394 2HA GLY 59 1HA GLY 59 5.050 -2.703 -15.188
395 H GLN 60 H GLN 60 3.836 -4.507 -12.908
396 HA GLN 60 HA GLN 60 0.989 -3.937 -13.627
397 1HB GLN 60 2HB GLN 60 2.101 -6.685 -13.040
398 2HB GLN 60 1HB GLN 60 0.569 -6.272 -13.812
399 1HG GLN 60 2HG GLN 60 1.954 -5.174 -15.658
400 2HG GLN 60 1HG GLN 60 3.355 -5.975 -14.948
401 1HE2 GLN 60 1HE2 GLN 60 3.718 -8.118 -15.591
402 2HE2 GLN 60 2HE2 GLN 60 2.586 -9.082 -16.410
403 H SER 61 H SER 61 2.835 -3.363 -11.182
404 HA SER 61 HA SER 61 1.080 -4.658 -9.136
405 1HB SER 61 2HB SER 61 3.649 -4.999 -9.104
406 2HB SER 61 1HB SER 61 3.725 -3.329 -8.553
407 HG SER 61 HG SER 61 1.941 -4.261 -7.041
408 H ALA 62 H ALA 62 -0.138 -3.337 -7.826
409 HA ALA 62 HA ALA 62 0.197 -0.391 -8.230
410 1HB ALA 62 1HB ALA 62 -1.978 -0.681 -8.900
411 2HB ALA 62 2HB ALA 62 -2.278 -0.596 -7.164
412 3HB ALA 62 3HB ALA 62 -2.175 -2.164 -7.966
413 H ASP 63 H ASP 63 0.655 -2.871 -6.007
414 HA ASP 63 HA ASP 63 0.348 -1.001 -3.702
415 1HB ASP 63 2HB ASP 63 0.750 -3.939 -3.393
416 2HB ASP 63 1HB ASP 63 -0.063 -2.816 -2.309
417 H CYS 64 H CYS 64 2.042 -2.106 -1.878
418 HA CYS 64 HA CYS 64 4.652 -2.536 -3.180
419 1HB CYS 64 2HB CYS 64 4.434 -0.081 -3.029
420 2HB CYS 64 1HB CYS 64 4.181 -0.214 -1.291
421 HA PRO 65 HA PRO 65 4.796 -5.078 0.420
422 1HB PRO 65 2HB PRO 65 7.051 -6.401 -0.385
423 2HB PRO 65 1HB PRO 65 5.440 -6.783 -0.993
424 1HG PRO 65 2HG PRO 65 7.700 -5.423 -2.353
425 2HG PRO 65 1HG PRO 65 6.309 -6.261 -3.058
426 1HD PRO 65 2HD PRO 65 6.655 -3.444 -2.800
427 2HD PRO 65 1HD PRO 65 5.190 -4.293 -3.336
428 H ARG 66 H ARG 66 5.729 -4.507 2.373
429 HA ARG 66 HA ARG 66 7.824 -2.545 2.529
430 1HB ARG 66 2HB ARG 66 6.906 -4.434 4.713
431 2HB ARG 66 1HB ARG 66 7.711 -2.879 4.926
432 1HG ARG 66 2HG ARG 66 5.796 -1.722 3.920
433 2HG ARG 66 1HG ARG 66 4.994 -3.268 3.635
434 1HD ARG 66 2HD ARG 66 4.278 -3.406 5.775
435 2HD ARG 66 1HD ARG 66 5.856 -2.945 6.414
436 HE ARG 66 HE ARG 66 4.931 -0.811 6.738
437 1HH1 ARG 66 1HH2 ARG 66 2.190 -1.990 5.975
438 2HH1 ARG 66 2HH2 ARG 66 1.688 -0.864 4.757
439 1HH2 ARG 66 1HH1 ARG 66 4.855 0.480 4.319
440 2HH2 ARG 66 2HH1 ARG 66 3.197 0.534 3.820
441 H TYR 67 H TYR 67 10.037 -2.846 3.075
442 HA TYR 67 HA TYR 67 11.213 -5.315 3.815
443 1HB TYR 67 2HB TYR 67 10.481 -6.101 1.628
444 2HB TYR 67 1HB TYR 67 11.290 -4.740 0.868
445 HD1 TYR 67 HD1 TYR 67 12.626 -6.606 3.768
446 HD2 TYR 67 HD2 TYR 67 12.862 -5.981 -0.475
447 HE1 TYR 67 HE1 TYR 67 14.741 -7.898 3.696
448 HE2 TYR 67 HE2 TYR 67 14.978 -7.274 -0.548
449 HH TYR 67 HH TYR 67 16.903 -7.768 1.546
450 H HIS 68 HN HIS 68 11.501 -2.466 4.330
451 HA HIS 68 HA HIS 68 14.299 -2.038 3.355
452 1HB HIS 68 2HB HIS 68 13.886 0.376 3.963
453 2HB HIS 68 1HB HIS 68 12.870 -0.219 2.651
454 HD1 HIS 68 HD1 HIS 68 10.383 -1.013 3.406
455 HD2 HIS 68 HD2 HIS 68 12.462 1.348 6.143
456 HE1 HIS 68 HE1 HIS 68 8.665 -0.131 5.044
Start of MODEL 16
1 1H GLY 1 1HT GLY 1 -6.716 -14.036 -5.872
2 2H GLY 1 2HT GLY 1 -7.920 -13.215 -6.747
3 3H GLY 1 3HT GLY 1 -8.157 -13.576 -5.103
4 1HA GLY 1 1HA GLY 1 -5.798 -12.152 -5.200
5 2HA GLY 1 2HA GLY 1 -6.916 -11.315 -6.276
6 H LYS 2 H LYS 2 -8.195 -9.849 -5.276
7 HA LYS 2 HA LYS 2 -9.112 -10.416 -2.498
8 1HB LYS 2 2HB LYS 2 -7.755 -7.893 -3.477
9 2HB LYS 2 1HB LYS 2 -8.716 -7.949 -2.000
10 1HG LYS 2 2HG LYS 2 -7.237 -9.469 -0.955
11 2HG LYS 2 1HG LYS 2 -6.473 -9.907 -2.483
12 1HD LYS 2 2HD LYS 2 -6.344 -7.035 -1.756
13 2HD LYS 2 1HD LYS 2 -5.392 -8.126 -0.750
14 1HE LYS 2 2HE LYS 2 -3.835 -7.859 -2.400
15 2HE LYS 2 1HE LYS 2 -4.789 -9.100 -3.211
16 1HZ LYS 2 1HZ LYS 2 -4.536 -7.333 -4.731
17 2HZ LYS 2 2HZ LYS 2 -4.952 -6.163 -3.571
18 3HZ LYS 2 3HZ LYS 2 -6.131 -7.233 -4.164
19 H GLU 3 H GLU 3 -11.262 -9.947 -2.239
20 HA GLU 3 HA GLU 3 -12.695 -8.819 -4.561
21 1HB GLU 3 2HB GLU 3 -14.712 -9.573 -3.449
22 2HB GLU 3 1HB GLU 3 -13.518 -10.869 -3.354
23 1HG GLU 3 2HG GLU 3 -12.889 -9.609 -1.082
24 2HG GLU 3 1HG GLU 3 -14.576 -9.106 -1.192
25 H CYS 4 H CYS 4 -11.405 -6.725 -3.863
26 HA CYS 4 HA CYS 4 -13.273 -4.799 -2.937
27 1HB CYS 4 2HB CYS 4 -11.565 -6.043 -0.865
28 2HB CYS 4 1HB CYS 4 -11.647 -4.295 -0.836
29 H ASP 5 H ASP 5 -11.635 -4.840 -5.110
30 HA ASP 5 HA ASP 5 -9.075 -3.885 -5.147
31 1HB ASP 5 2HB ASP 5 -10.744 -4.076 -7.108
32 2HB ASP 5 1HB ASP 5 -11.195 -2.416 -6.718
33 H CYS 6 H CYS 6 -11.909 -2.109 -4.082
34 HA CYS 6 HA CYS 6 -10.123 -0.111 -2.811
35 1HB CYS 6 2HB CYS 6 -12.528 0.735 -4.450
36 2HB CYS 6 1HB CYS 6 -11.326 1.781 -3.691
37 H SER 7 H SER 7 -11.126 0.897 -0.965
38 HA SER 7 HA SER 7 -13.632 -0.493 -0.099
39 1HB SER 7 2HB SER 7 -12.842 -0.375 2.160
40 2HB SER 7 1HB SER 7 -11.495 -0.968 1.192
41 HG SER 7 HG SER 7 -11.601 1.191 2.725
42 H SER 8 H SER 8 -13.375 2.085 -1.622
43 HA SER 8 HA SER 8 -14.604 3.881 0.426
44 1HB SER 8 2HB SER 8 -12.493 4.358 -1.423
45 2HB SER 8 1HB SER 8 -13.870 5.337 -1.911
46 HG SER 8 HG SER 8 -13.088 5.179 0.790
47 HA PRO 9 HA PRO 9 -18.225 3.354 -2.099
48 1HB PRO 9 2HB PRO 9 -19.829 5.037 -0.633
49 2HB PRO 9 1HB PRO 9 -19.433 3.382 -0.136
50 1HG PRO 9 2HG PRO 9 -18.401 5.962 0.942
51 2HG PRO 9 1HG PRO 9 -18.539 4.388 1.740
52 1HD PRO 9 2HD PRO 9 -16.164 5.517 0.679
53 2HD PRO 9 1HD PRO 9 -16.382 3.833 1.202
54 H GLU 10 H GLU 10 -16.184 5.908 -2.139
55 HA GLU 10 HA GLU 10 -17.960 7.456 -3.981
56 1HB GLU 10 2HB GLU 10 -17.295 8.467 -1.598
57 2HB GLU 10 1HB GLU 10 -15.816 8.886 -2.463
58 1HG GLU 10 2HG GLU 10 -17.019 10.157 -4.096
59 2HG GLU 10 1HG GLU 10 -18.570 9.527 -3.541
60 H ASN 11 H ASN 11 -15.699 5.367 -4.221
61 HA ASN 11 HA ASN 11 -13.612 6.890 -5.590
62 1HB ASN 11 2HB ASN 11 -13.531 4.569 -4.204
63 2HB ASN 11 1HB ASN 11 -13.697 3.938 -5.843
64 1HD2 ASN 11 1HD2 ASN 11 -11.389 3.158 -5.495
65 2HD2 ASN 11 2HD2 ASN 11 -10.122 4.252 -5.769
66 HA PRO 12 HA PRO 12 -15.818 6.471 -9.449
67 1HB PRO 12 2HB PRO 12 -13.957 7.813 -10.960
68 2HB PRO 12 1HB PRO 12 -15.140 8.626 -9.922
69 1HG PRO 12 2HG PRO 12 -12.216 8.236 -9.485
70 2HG PRO 12 1HG PRO 12 -13.286 9.503 -8.862
71 1HD PRO 12 2HD PRO 12 -12.363 7.247 -7.416
72 2HD PRO 12 1HD PRO 12 -13.668 8.346 -6.922
73 H CYS 13 H CYS 13 -13.127 4.841 -8.451
74 HA CYS 13 HA CYS 13 -12.823 3.459 -11.087
75 1HB CYS 13 2HB CYS 13 -10.839 4.792 -9.574
76 2HB CYS 13 1HB CYS 13 -10.536 3.064 -9.410
77 H CYS 14 H CYS 14 -14.489 2.926 -8.508
78 HA CYS 14 HA CYS 14 -13.948 0.061 -8.575
79 1HB CYS 14 2HB CYS 14 -13.155 1.740 -6.234
80 2HB CYS 14 1HB CYS 14 -13.819 0.136 -5.927
81 H ASP 15 H ASP 15 -15.766 -1.104 -8.096
82 HA ASP 15 HA ASP 15 -18.254 0.324 -7.643
83 1HB ASP 15 2HB ASP 15 -17.810 -1.883 -8.974
84 2HB ASP 15 1HB ASP 15 -17.963 -2.635 -7.392
85 H ALA 16 H ALA 16 -19.421 0.433 -5.717
86 HA ALA 16 HA ALA 16 -17.921 -0.183 -3.282
87 1HB ALA 16 1HB ALA 16 -20.353 1.413 -3.964
88 2HB ALA 16 2HB ALA 16 -18.930 1.883 -3.033
89 3HB ALA 16 3HB ALA 16 -20.163 0.853 -2.302
90 H ALA 17 H ALA 17 -20.595 -1.510 -5.079
91 HA ALA 17 HA ALA 17 -21.612 -3.070 -2.816
92 1HB ALA 17 1HB ALA 17 -22.474 -2.438 -5.494
93 2HB ALA 17 2HB ALA 17 -23.414 -3.103 -4.158
94 3HB ALA 17 3HB ALA 17 -22.538 -4.183 -5.244
95 H THR 18 H THR 18 -19.728 -3.761 -5.772
96 HA THR 18 HA THR 18 -19.355 -6.555 -4.898
97 HB THR 18 HB THR 18 -18.062 -6.755 -7.026
98 HG1 THR 18 HG1 THR 18 -18.670 -4.617 -8.290
99 1HG2 THR 18 1HG2 THR 18 -20.696 -6.787 -6.727
100 2HG2 THR 18 2HG2 THR 18 -19.972 -6.867 -8.333
101 3HG2 THR 18 3HG2 THR 18 -20.602 -5.336 -7.725
102 H CYS 19 H CYS 19 -17.697 -3.542 -4.619
103 HA CYS 19 HA CYS 19 -15.638 -3.040 -3.591
104 1HB CYS 19 2HB CYS 19 -16.475 -5.398 -2.344
105 2HB CYS 19 1HB CYS 19 -14.845 -5.727 -2.876
106 H LYS 20 H LYS 20 -15.101 -2.842 -5.995
107 HA LYS 20 HA LYS 20 -12.569 -4.122 -6.506
108 1HB LYS 20 2HB LYS 20 -15.020 -5.348 -7.616
109 2HB LYS 20 1HB LYS 20 -13.733 -5.070 -8.788
110 1HG LYS 20 2HG LYS 20 -12.483 -6.096 -6.468
111 2HG LYS 20 1HG LYS 20 -13.903 -7.102 -6.755
112 1HD LYS 20 2HD LYS 20 -13.112 -7.888 -8.768
113 2HD LYS 20 1HD LYS 20 -12.243 -6.396 -9.128
114 1HE LYS 20 2HE LYS 20 -10.560 -6.975 -7.401
115 2HE LYS 20 1HE LYS 20 -11.414 -8.486 -7.092
116 1HZ LYS 20 1HZ LYS 20 -10.499 -9.419 -8.872
117 2HZ LYS 20 2HZ LYS 20 -9.456 -8.079 -8.959
118 3HZ LYS 20 3HZ LYS 20 -10.890 -8.105 -9.870
119 H LEU 21 H LEU 21 -12.529 -3.807 -9.327
120 HA LEU 21 HA LEU 21 -12.577 -0.870 -9.454
121 1HB LEU 21 2HB LEU 21 -11.526 -3.071 -11.201
122 2HB LEU 21 1HB LEU 21 -11.770 -1.466 -11.895
123 HG LEU 21 HG LEU 21 -10.295 -1.798 -9.296
124 1HD1 LEU 21 1HD1 LEU 21 -9.106 -3.255 -10.815
125 2HD1 LEU 21 2HD1 LEU 21 -8.193 -1.750 -10.693
126 3HD1 LEU 21 3HD1 LEU 21 -9.202 -2.059 -12.106
127 1HD2 LEU 21 1HD2 LEU 21 -10.160 0.429 -9.502
128 2HD2 LEU 21 2HD2 LEU 21 -11.030 0.352 -11.034
129 3HD2 LEU 21 3HD2 LEU 21 -9.271 0.222 -11.010
130 H ARG 22 H ARG 22 -14.170 0.309 -10.406
131 HA ARG 22 HA ARG 22 -16.504 -1.090 -11.486
132 1HB ARG 22 2HB ARG 22 -16.033 1.411 -10.261
133 2HB ARG 22 1HB ARG 22 -16.578 1.767 -11.900
134 1HG ARG 22 2HG ARG 22 -18.064 -0.376 -10.489
135 2HG ARG 22 1HG ARG 22 -18.281 1.254 -9.851
136 1HD ARG 22 2HD ARG 22 -19.072 2.078 -11.943
137 2HD ARG 22 1HD ARG 22 -18.528 0.637 -12.800
138 HE ARG 22 HE ARG 22 -20.463 -0.047 -10.768
139 1HH1 ARG 22 1HH1 ARG 22 -20.422 -1.272 -13.482
140 2HH1 ARG 22 2HH1 ARG 22 -21.826 -0.582 -14.225
141 1HH2 ARG 22 1HH2 ARG 22 -22.130 1.971 -11.899
142 2HH2 ARG 22 2HH2 ARG 22 -22.795 1.253 -13.329
143 HA PRO 23 HA PRO 23 -15.102 1.143 -15.459
144 1HB PRO 23 2HB PRO 23 -12.715 2.500 -15.394
145 2HB PRO 23 1HB PRO 23 -14.274 3.242 -14.993
146 1HG PRO 23 2HG PRO 23 -12.064 2.424 -13.173
147 2HG PRO 23 1HG PRO 23 -13.317 3.653 -12.934
148 1HD PRO 23 2HD PRO 23 -13.286 1.043 -11.817
149 2HD PRO 23 1HD PRO 23 -14.655 2.175 -11.805
150 H GLY 24 H GLY 24 -12.750 1.138 -16.881
151 1HA GLY 24 2HA GLY 24 -11.896 -1.685 -16.616
152 2HA GLY 24 1HA GLY 24 -11.608 -0.648 -18.014
153 H ALA 25 H ALA 25 -10.961 0.888 -15.044
154 HA ALA 25 HA ALA 25 -8.207 1.288 -15.626
155 1HB ALA 25 1HB ALA 25 -9.540 2.744 -14.113
156 2HB ALA 25 2HB ALA 25 -8.044 2.196 -13.355
157 3HB ALA 25 3HB ALA 25 -9.579 1.442 -12.925
158 H GLN 26 H GLN 26 -6.481 0.615 -13.856
159 HA GLN 26 HA GLN 26 -6.790 -2.330 -13.451
160 1HB GLN 26 2HB GLN 26 -4.683 -0.723 -14.599
161 2HB GLN 26 1HB GLN 26 -4.071 -1.660 -13.238
162 1HG GLN 26 2HG GLN 26 -4.370 -3.651 -14.310
163 2HG GLN 26 1HG GLN 26 -5.872 -3.125 -15.070
164 1HE2 GLN 26 1HE2 GLN 26 -5.255 -1.031 -16.651
165 2HE2 GLN 26 2HE2 GLN 26 -4.016 -1.402 -17.751
166 H CYS 27 H CYS 27 -7.057 0.417 -11.745
167 HA CYS 27 HA CYS 27 -6.737 -0.804 -9.200
168 1HB CYS 27 2HB CYS 27 -4.692 0.265 -8.403
169 2HB CYS 27 1HB CYS 27 -4.326 -0.713 -9.825
170 H GLY 28 H GLY 28 -8.033 0.384 -7.883
171 1HA GLY 28 2HA GLY 28 -8.693 3.155 -8.708
172 2HA GLY 28 1HA GLY 28 -9.614 2.181 -7.566
173 H GLU 29 H GLU 29 -6.724 1.495 -6.490
174 HA GLU 29 HA GLU 29 -5.736 3.931 -5.339
175 1HB GLU 29 2HB GLU 29 -6.547 3.650 -3.048
176 2HB GLU 29 1HB GLU 29 -7.911 3.820 -4.148
177 1HG GLU 29 2HG GLU 29 -8.689 1.926 -3.172
178 2HG GLU 29 1HG GLU 29 -7.493 1.099 -4.169
179 H GLY 30 H GLY 30 -3.659 3.469 -4.803
180 1HA GLY 30 2HA GLY 30 -2.824 1.240 -3.247
181 2HA GLY 30 1HA GLY 30 -2.558 0.858 -4.949
182 H LEU 31 H LEU 31 -0.348 1.073 -3.282
183 HA LEU 31 HA LEU 31 0.801 3.667 -3.084
184 1HB LEU 31 2HB LEU 31 1.649 0.962 -2.693
185 2HB LEU 31 1HB LEU 31 2.896 1.844 -3.566
186 HG LEU 31 HG LEU 31 3.115 1.995 -1.068
187 1HD1 LEU 31 1HD1 LEU 31 2.512 4.573 -2.550
188 2HD1 LEU 31 2HD1 LEU 31 4.064 3.737 -2.518
189 3HD1 LEU 31 3HD1 LEU 31 3.420 4.460 -1.044
190 1HD2 LEU 31 1HD2 LEU 31 1.377 2.633 0.233
191 2HD2 LEU 31 2HD2 LEU 31 0.362 2.389 -1.189
192 3HD2 LEU 31 3HD2 LEU 31 0.994 3.994 -0.821
193 H CYS 32 H CYS 32 1.365 1.153 -5.561
194 HA CYS 32 HA CYS 32 2.500 3.258 -7.331
195 1HB CYS 32 2HB CYS 32 2.432 0.396 -8.172
196 2HB CYS 32 1HB CYS 32 3.698 1.600 -8.395
197 H CYS 33 H CYS 33 -0.286 3.402 -6.974
198 HA CYS 33 HA CYS 33 -1.347 2.186 -9.482
199 1HB CYS 33 2HB CYS 33 -2.742 1.587 -7.643
200 2HB CYS 33 1HB CYS 33 -2.723 3.221 -6.994
201 H GLU 34 H GLU 34 -0.722 3.663 -11.044
202 HA GLU 34 HA GLU 34 -0.694 6.494 -10.761
203 1HB GLU 34 2HB GLU 34 0.023 4.723 -12.726
204 2HB GLU 34 1HB GLU 34 -1.396 5.489 -13.428
205 1HG GLU 34 2HG GLU 34 -0.441 7.686 -13.161
206 2HG GLU 34 1HG GLU 34 0.898 7.040 -12.210
207 H GLN 35 H GLN 35 -2.307 7.620 -12.700
208 HA GLN 35 HA GLN 35 -4.807 7.873 -11.389
209 1HB GLN 35 2HB GLN 35 -3.829 8.562 -14.152
210 2HB GLN 35 1HB GLN 35 -5.531 8.768 -13.742
211 1HG GLN 35 2HG GLN 35 -4.675 10.045 -11.662
212 2HG GLN 35 1HG GLN 35 -3.131 10.122 -12.513
213 1HE2 GLN 35 1HE2 GLN 35 -3.220 12.411 -12.955
214 2HE2 GLN 35 2HE2 GLN 35 -4.367 13.088 -14.007
215 H CYS 36 H CYS 36 -5.627 5.741 -11.020
216 HA CYS 36 HA CYS 36 -6.796 3.777 -11.551
217 1HB CYS 36 2HB CYS 36 -7.676 5.728 -13.677
218 2HB CYS 36 1HB CYS 36 -8.291 4.079 -13.651
219 H LYS 37 H LYS 37 -4.146 3.622 -12.277
220 HA LYS 37 HA LYS 37 -4.280 1.748 -14.529
221 1HB LYS 37 2HB LYS 37 -3.468 4.457 -14.964
222 2HB LYS 37 1HB LYS 37 -2.042 3.428 -15.114
223 1HG LYS 37 2HG LYS 37 -2.830 3.176 -17.253
224 2HG LYS 37 1HG LYS 37 -3.813 1.926 -16.490
225 1HD LYS 37 2HD LYS 37 -5.631 3.044 -17.219
226 2HD LYS 37 1HD LYS 37 -5.228 4.303 -16.051
227 1HE LYS 37 2HE LYS 37 -4.027 4.189 -18.828
228 2HE LYS 37 1HE LYS 37 -5.485 5.106 -18.449
229 1HZ LYS 37 1HZ LYS 37 -3.500 6.484 -18.317
230 2HZ LYS 37 2HZ LYS 37 -2.841 5.452 -17.140
231 3HZ LYS 37 3HZ LYS 37 -4.244 6.347 -16.799
232 H PHE 38 H PHE 38 -2.337 0.413 -14.625
233 HA PHE 38 HA PHE 38 -1.106 0.034 -12.024
234 1HB PHE 38 2HB PHE 38 -1.029 -1.311 -14.662
235 2HB PHE 38 1HB PHE 38 0.427 -1.474 -13.686
236 HD1 PHE 38 HD1 PHE 38 -2.262 -3.302 -14.453
237 HD2 PHE 38 HD2 PHE 38 -0.518 -1.518 -10.958
238 HE1 PHE 38 HE1 PHE 38 -3.383 -4.996 -13.030
239 HE2 PHE 38 HE2 PHE 38 -1.637 -3.211 -9.533
240 HZ PHE 38 HZ PHE 38 -3.070 -4.949 -10.569
241 H SER 39 H SER 39 0.624 1.167 -11.275
242 HA SER 39 HA SER 39 2.072 3.065 -12.796
243 1HB SER 39 2HB SER 39 2.700 1.603 -10.259
244 2HB SER 39 1HB SER 39 3.856 2.722 -10.960
245 HG SER 39 HG SER 39 2.264 4.328 -10.844
246 H ARG 40 H ARG 40 4.450 2.864 -13.398
247 HA ARG 40 HA ARG 40 4.842 0.262 -14.714
248 1HB ARG 40 2HB ARG 40 6.745 1.456 -15.863
249 2HB ARG 40 1HB ARG 40 5.167 2.196 -16.139
250 1HG ARG 40 2HG ARG 40 5.893 4.127 -15.248
251 2HG ARG 40 1HG ARG 40 6.288 3.299 -13.740
252 1HD ARG 40 2HD ARG 40 8.497 2.820 -14.449
253 2HD ARG 40 1HD ARG 40 8.117 3.162 -16.137
254 HE ARG 40 HE ARG 40 8.518 5.209 -14.016
255 1HH1 ARG 40 1HH2 ARG 40 10.371 5.214 -16.277
256 2HH1 ARG 40 2HH2 ARG 40 9.673 6.363 -17.369
257 1HH2 ARG 40 1HH1 ARG 40 6.554 6.304 -15.860
258 2HH2 ARG 40 2HH1 ARG 40 7.513 6.979 -17.134
259 H ALA 41 H ALA 41 6.965 -0.832 -14.502
260 HA ALA 41 HA ALA 41 7.792 -1.228 -11.848
261 1HB ALA 41 1HB ALA 41 9.913 -2.153 -12.851
262 2HB ALA 41 2HB ALA 41 9.362 -1.563 -14.419
263 3HB ALA 41 3HB ALA 41 8.441 -2.805 -13.570
264 H GLY 42 H GLY 42 10.322 -0.783 -11.294
265 1HA GLY 42 2HA GLY 42 11.834 0.888 -10.629
266 2HA GLY 42 1HA GLY 42 11.438 1.693 -12.143
267 H LYS 43 H LYS 43 8.915 0.892 -9.820
268 HA LYS 43 HA LYS 43 8.470 3.809 -9.507
269 1HB LYS 43 2HB LYS 43 6.539 2.592 -10.297
270 2HB LYS 43 1HB LYS 43 6.681 1.440 -8.973
271 1HG LYS 43 2HG LYS 43 4.978 2.956 -8.289
272 2HG LYS 43 1HG LYS 43 6.414 3.445 -7.398
273 1HD LYS 43 2HD LYS 43 6.657 5.395 -8.575
274 2HD LYS 43 1HD LYS 43 6.038 4.691 -10.069
275 1HE LYS 43 2HE LYS 43 4.121 5.805 -9.630
276 2HE LYS 43 1HE LYS 43 3.846 4.604 -8.369
277 1HZ LYS 43 1HZ LYS 43 5.568 6.347 -7.213
278 2HZ LYS 43 2HZ LYS 43 3.885 6.327 -6.982
279 3HZ LYS 43 3HZ LYS 43 4.576 7.369 -8.133
280 H ILE 44 H ILE 44 9.117 4.767 -7.646
281 HA ILE 44 HA ILE 44 9.970 3.142 -5.378
282 HB ILE 44 HB ILE 44 11.270 5.085 -5.738
283 1HG1 ILE 44 2HG1 ILE 44 10.806 6.517 -3.725
284 2HG1 ILE 44 1HG1 ILE 44 9.286 5.650 -3.510
285 1HG2 ILE 44 1HG2 ILE 44 9.851 7.357 -5.588
286 2HG2 ILE 44 2HG2 ILE 44 8.605 6.302 -6.255
287 3HG2 ILE 44 3HG2 ILE 44 10.129 6.520 -7.114
288 1HD1 ILE 44 1HD1 ILE 44 12.060 4.424 -3.480
289 2HD1 ILE 44 2HD1 ILE 44 10.554 3.517 -3.346
290 3HD1 ILE 44 3HD1 ILE 44 11.010 4.660 -2.082
291 H CYS 45 H CYS 45 8.213 2.137 -4.437
292 HA CYS 45 HA CYS 45 5.767 3.662 -3.806
293 1HB CYS 45 2HB CYS 45 5.064 1.446 -2.783
294 2HB CYS 45 1HB CYS 45 5.386 1.415 -4.508
295 H ARG 46 H ARG 46 8.759 3.048 -2.332
296 HA ARG 46 HA ARG 46 7.922 4.375 0.111
297 1HB ARG 46 2HB ARG 46 7.217 1.828 0.247
298 2HB ARG 46 1HB ARG 46 8.928 1.596 0.608
299 1HG ARG 46 2HG ARG 46 8.669 2.398 2.699
300 2HG ARG 46 1HG ARG 46 7.846 3.840 2.103
301 1HD ARG 46 2HD ARG 46 5.825 2.195 1.752
302 2HD ARG 46 1HD ARG 46 6.679 1.199 2.932
303 HE ARG 46 HE ARG 46 5.219 3.617 3.522
304 1HH1 ARG 46 1HH1 ARG 46 6.804 1.097 4.934
305 2HH1 ARG 46 2HH1 ARG 46 7.456 1.985 6.271
306 1HH2 ARG 46 1HH2 ARG 46 6.589 5.083 4.975
307 2HH2 ARG 46 2HH2 ARG 46 7.333 4.244 6.294
308 H ILE 47 H ILE 47 9.667 5.566 0.643
309 HA ILE 47 HA ILE 47 12.271 5.078 -0.493
310 HB ILE 47 HB ILE 47 11.716 7.344 0.027
311 1HG1 ILE 47 2HG1 ILE 47 13.484 7.985 1.649
312 2HG1 ILE 47 1HG1 ILE 47 13.622 6.299 2.147
313 1HG2 ILE 47 1HG2 ILE 47 10.164 7.618 1.648
314 2HG2 ILE 47 2HG2 ILE 47 11.510 7.568 2.787
315 3HG2 ILE 47 3HG2 ILE 47 10.601 6.099 2.429
316 1HD1 ILE 47 1HD1 ILE 47 14.688 7.632 -0.239
317 2HD1 ILE 47 2HD1 ILE 47 13.826 6.139 -0.605
318 3HD1 ILE 47 3HD1 ILE 47 15.184 6.119 0.518
319 H ALA 48 H ALA 48 14.158 4.289 0.565
320 HA ALA 48 HA ALA 48 13.979 2.073 2.209
321 1HB ALA 48 1HB ALA 48 16.136 4.158 1.934
322 2HB ALA 48 2HB ALA 48 16.128 2.494 1.353
323 3HB ALA 48 3HB ALA 48 16.324 2.827 3.073
324 H ARG 49 H ARG 49 14.199 1.728 4.508
325 HA ARG 49 HA ARG 49 12.959 3.887 6.097
326 1HB ARG 49 2HB ARG 49 13.744 1.283 7.293
327 2HB ARG 49 1HB ARG 49 12.326 2.271 7.614
328 1HG ARG 49 2HG ARG 49 12.808 0.674 5.078
329 2HG ARG 49 1HG ARG 49 11.729 0.202 6.390
330 1HD ARG 49 2HD ARG 49 10.253 2.010 5.981
331 2HD ARG 49 1HD ARG 49 11.438 2.858 4.986
332 HE ARG 49 HE ARG 49 10.442 1.704 3.199
333 1HH1 ARG 49 1HH1 ARG 49 8.543 0.342 5.263
334 2HH1 ARG 49 2HH1 ARG 49 8.776 -1.319 4.832
335 1HH2 ARG 49 1HH2 ARG 49 11.628 -0.708 2.956
336 2HH2 ARG 49 2HH2 ARG 49 10.521 -1.913 3.526
337 H GLY 50 H GLY 50 15.906 3.681 5.136
338 1HA GLY 50 2HA GLY 50 17.074 4.981 7.387
339 2HA GLY 50 1HA GLY 50 17.607 3.301 7.357
340 H ASP 51 H ASP 51 18.163 2.655 4.877
341 HA ASP 51 HA ASP 51 19.172 4.517 3.045
342 1HB ASP 51 2HB ASP 51 20.687 4.541 5.439
343 2HB ASP 51 1HB ASP 51 21.664 3.753 4.204
344 H TRP 52 H TRP 52 18.670 2.869 1.573
345 HA TRP 52 HA TRP 52 20.707 1.018 0.881
346 1HB TRP 52 2HB TRP 52 18.902 -0.990 1.477
347 2HB TRP 52 1HB TRP 52 20.351 -0.628 2.405
348 HD1 TRP 52 HD1 TRP 52 16.892 1.080 2.252
349 HE1 TRP 52 HE1 TRP 52 16.022 1.357 4.663
350 HE3 TRP 52 HE3 TRP 52 20.710 -1.098 4.792
351 HZ2 TRP 52 HZ2 TRP 52 16.855 0.731 7.331
352 HZ3 TRP 52 HZ3 TRP 52 20.665 -1.253 7.267
353 HH2 TRP 52 HH2 TRP 52 18.742 -0.339 8.539
354 H ASN 53 H ASN 53 19.118 -1.007 -0.317
355 HA ASN 53 HA ASN 53 18.254 0.291 -2.685
356 1HB ASN 53 2HB ASN 53 18.281 -2.404 -1.624
357 2HB ASN 53 1HB ASN 53 16.776 -2.099 -2.489
358 1HD2 ASN 53 1HD2 ASN 53 17.046 -1.150 -4.762
359 2HD2 ASN 53 2HD2 ASN 53 18.415 -1.606 -5.657
360 H ASP 54 H ASP 54 16.551 1.648 -2.878
361 HA ASP 54 HA ASP 54 14.470 1.885 -0.923
362 1HB ASP 54 2HB ASP 54 13.331 3.251 -2.757
363 2HB ASP 54 1HB ASP 54 14.937 3.799 -2.279
364 H ASP 55 H ASP 55 12.059 1.750 -1.746
365 HA ASP 55 HA ASP 55 11.659 -1.044 -2.615
366 1HB ASP 55 2HB ASP 55 10.385 0.586 -0.770
367 2HB ASP 55 1HB ASP 55 9.267 0.540 -2.127
368 H ARG 56 H ARG 56 11.111 -1.543 -4.681
369 HA ARG 56 HA ARG 56 10.127 0.657 -6.458
370 1HB ARG 56 2HB ARG 56 12.452 -0.600 -6.779
371 2HB ARG 56 1HB ARG 56 11.418 -1.806 -7.548
372 1HG ARG 56 2HG ARG 56 11.704 -0.496 -9.388
373 2HG ARG 56 1HG ARG 56 10.422 0.466 -8.652
374 1HD ARG 56 2HD ARG 56 11.971 2.140 -8.894
375 2HD ARG 56 1HD ARG 56 12.538 1.506 -7.348
376 HE ARG 56 HE ARG 56 13.797 0.076 -9.491
377 1HH1 ARG 56 1HH2 ARG 56 13.946 2.758 -7.377
378 2HH1 ARG 56 2HH2 ARG 56 15.484 3.310 -7.951
379 1HH2 ARG 56 1HH1 ARG 56 15.696 0.934 -10.468
380 2HH2 ARG 56 2HH1 ARG 56 16.475 2.278 -9.701
381 H CYS 57 H CYS 57 8.455 0.098 -7.954
382 HA CYS 57 HA CYS 57 6.908 -2.317 -7.160
383 1HB CYS 57 2HB CYS 57 5.940 -0.194 -9.069
384 2HB CYS 57 1HB CYS 57 4.992 -1.296 -8.081
385 H THR 58 H THR 58 6.044 -3.642 -8.935
386 HA THR 58 HA THR 58 8.039 -4.042 -11.034
387 HB THR 58 HB THR 58 6.977 -6.090 -11.420
388 HG1 THR 58 HG1 THR 58 4.758 -6.382 -10.925
389 1HG2 THR 58 1HG2 THR 58 6.980 -7.015 -9.335
390 2HG2 THR 58 2HG2 THR 58 5.774 -5.879 -8.726
391 3HG2 THR 58 3HG2 THR 58 7.468 -5.398 -8.826
392 H GLY 59 H GLY 59 6.342 -4.870 -13.164
393 1HA GLY 59 1HA GLY 59 5.490 -2.198 -14.131
394 2HA GLY 59 2HA GLY 59 5.759 -3.618 -15.141
395 H GLN 60 H GLN 60 3.958 -4.277 -12.305
396 HA GLN 60 HA GLN 60 1.341 -3.659 -13.471
397 1HB GLN 60 2HB GLN 60 2.180 -6.552 -13.117
398 2HB GLN 60 1HB GLN 60 0.588 -5.986 -13.623
399 1HG GLN 60 2HG GLN 60 1.737 -4.835 -15.571
400 2HG GLN 60 1HG GLN 60 3.202 -5.709 -15.122
401 1HE2 GLN 60 1HE2 GLN 60 1.330 -8.024 -14.192
402 2HE2 GLN 60 2HE2 GLN 60 0.939 -8.817 -15.639
403 H SER 61 H SER 61 3.054 -3.442 -10.896
404 HA SER 61 HA SER 61 1.149 -4.756 -9.015
405 1HB SER 61 2HB SER 61 3.286 -5.296 -8.268
406 2HB SER 61 1HB SER 61 3.969 -3.759 -8.791
407 HG SER 61 HG SER 61 3.404 -2.893 -6.950
408 H ALA 62 H ALA 62 -0.352 -3.520 -7.980
409 HA ALA 62 HA ALA 62 -0.181 -0.571 -8.300
410 1HB ALA 62 1HB ALA 62 -2.353 -1.065 -8.851
411 2HB ALA 62 2HB ALA 62 -2.576 -0.962 -7.104
412 3HB ALA 62 3HB ALA 62 -2.373 -2.534 -7.876
413 H ASP 63 H ASP 63 0.198 -3.059 -5.944
414 HA ASP 63 HA ASP 63 0.139 -1.035 -3.753
415 1HB ASP 63 2HB ASP 63 0.249 -4.007 -3.382
416 2HB ASP 63 1HB ASP 63 -0.268 -2.789 -2.224
417 H CYS 64 H CYS 64 1.817 -1.977 -1.919
418 HA CYS 64 HA CYS 64 4.362 -2.664 -3.304
419 1HB CYS 64 2HB CYS 64 4.320 -0.216 -3.088
420 2HB CYS 64 1HB CYS 64 4.003 -0.362 -1.360
421 HA PRO 65 HA PRO 65 4.457 -5.355 0.185
422 1HB PRO 65 2HB PRO 65 6.721 -6.649 -0.644
423 2HB PRO 65 1HB PRO 65 5.117 -7.003 -1.285
424 1HG PRO 65 2HG PRO 65 7.392 -5.568 -2.550
425 2HG PRO 65 1HG PRO 65 6.032 -6.409 -3.313
426 1HD PRO 65 2HD PRO 65 6.306 -3.604 -2.994
427 2HD PRO 65 1HD PRO 65 4.843 -4.473 -3.506
428 H ARG 66 H ARG 66 6.901 -6.250 1.237
429 HA ARG 66 HA ARG 66 8.494 -3.843 1.822
430 1HB ARG 66 2HB ARG 66 8.370 -4.515 4.309
431 2HB ARG 66 1HB ARG 66 6.960 -3.706 3.625
432 1HG ARG 66 2HG ARG 66 5.701 -5.672 3.546
433 2HG ARG 66 1HG ARG 66 7.132 -6.705 3.547
434 1HD ARG 66 2HD ARG 66 6.592 -6.981 5.753
435 2HD ARG 66 1HD ARG 66 7.454 -5.454 5.932
436 HE ARG 66 HE ARG 66 5.055 -4.438 5.568
437 1HH1 ARG 66 1HH1 ARG 66 6.086 -5.689 8.287
438 2HH1 ARG 66 2HH1 ARG 66 4.615 -6.430 8.821
439 1HH2 ARG 66 1HH2 ARG 66 3.039 -6.139 5.746
440 2HH2 ARG 66 2HH2 ARG 66 2.889 -6.682 7.384
441 H TYR 67 H TYR 67 10.043 -5.111 0.527
442 HA TYR 67 HA TYR 67 10.941 -7.702 1.322
443 1HB TYR 67 2HB TYR 67 11.445 -6.941 -0.889
444 2HB TYR 67 1HB TYR 67 12.259 -5.518 -0.256
445 HD1 TYR 67 HD1 TYR 67 14.578 -5.599 -0.417
446 HD2 TYR 67 HD2 TYR 67 12.400 -9.212 0.391
447 HE1 TYR 67 HE1 TYR 67 16.709 -6.862 -0.316
448 HE2 TYR 67 HE2 TYR 67 14.531 -10.474 0.493
449 HH TYR 67 HH TYR 67 17.028 -9.959 -0.658
450 H HIS 68 HN HIS 68 11.615 -4.517 2.521
451 HA HIS 68 HA HIS 68 13.957 -5.516 4.059
452 1HB HIS 68 2HB HIS 68 13.805 -3.217 2.779
453 2HB HIS 68 1HB HIS 68 12.926 -2.698 4.217
454 HD1 HIS 68 HD1 HIS 68 14.239 -3.083 6.559
455 HD2 HIS 68 HD2 HIS 68 16.568 -3.281 3.106
456 HE1 HIS 68 HE1 HIS 68 16.648 -2.840 7.304
Start of MODEL 17
1 1H GLY 1 1HT GLY 1 -7.302 -10.812 1.529
2 2H GLY 1 2HT GLY 1 -6.118 -10.034 0.593
3 3H GLY 1 3HT GLY 1 -7.034 -11.302 -0.073
4 1HA GLY 1 1HA GLY 1 -8.432 -8.930 0.944
5 2HA GLY 1 2HA GLY 1 -7.620 -8.839 -0.619
6 H LYS 2 H LYS 2 -10.578 -9.193 0.470
7 HA LYS 2 HA LYS 2 -11.303 -11.524 -1.238
8 1HB LYS 2 2HB LYS 2 -12.198 -10.753 1.273
9 2HB LYS 2 1HB LYS 2 -13.487 -10.205 0.201
10 1HG LYS 2 2HG LYS 2 -13.445 -12.507 -0.860
11 2HG LYS 2 1HG LYS 2 -12.364 -13.007 0.441
12 1HD LYS 2 2HD LYS 2 -14.455 -13.592 1.304
13 2HD LYS 2 1HD LYS 2 -14.207 -11.992 2.005
14 1HE LYS 2 2HE LYS 2 -15.376 -11.221 -0.265
15 2HE LYS 2 1HE LYS 2 -16.066 -12.841 -0.174
16 1HZ LYS 2 1HZ LYS 2 -16.298 -10.637 1.783
17 2HZ LYS 2 2HZ LYS 2 -16.623 -12.249 2.211
18 3HZ LYS 2 3HZ LYS 2 -17.540 -11.487 1.001
19 H GLU 3 H GLU 3 -14.054 -10.474 -1.554
20 HA GLU 3 HA GLU 3 -13.696 -9.103 -4.049
21 1HB GLU 3 2HB GLU 3 -15.854 -10.241 -2.571
22 2HB GLU 3 1HB GLU 3 -16.309 -8.602 -3.038
23 1HG GLU 3 2HG GLU 3 -16.858 -9.540 -5.032
24 2HG GLU 3 1HG GLU 3 -15.119 -9.528 -5.333
25 H CYS 4 H CYS 4 -12.433 -7.226 -3.611
26 HA CYS 4 HA CYS 4 -13.896 -4.831 -3.021
27 1HB CYS 4 2HB CYS 4 -12.384 -6.098 -0.800
28 2HB CYS 4 1HB CYS 4 -12.226 -4.359 -0.988
29 H ASP 5 H ASP 5 -12.593 -5.063 -5.201
30 HA ASP 5 HA ASP 5 -9.889 -4.922 -5.560
31 1HB ASP 5 2HB ASP 5 -11.733 -4.565 -7.294
32 2HB ASP 5 1HB ASP 5 -11.689 -2.861 -6.836
33 H CYS 6 H CYS 6 -11.871 -2.359 -4.111
34 HA CYS 6 HA CYS 6 -9.308 -0.928 -3.514
35 1HB CYS 6 2HB CYS 6 -10.406 1.173 -3.711
36 2HB CYS 6 1HB CYS 6 -10.929 0.242 -5.110
37 H SER 7 H SER 7 -9.423 0.375 -1.462
38 HA SER 7 HA SER 7 -10.910 -1.183 0.593
39 1HB SER 7 2HB SER 7 -9.180 0.633 1.859
40 2HB SER 7 1HB SER 7 -8.919 -1.095 1.643
41 HG SER 7 HG SER 7 -7.301 0.466 0.753
42 H SER 8 H SER 8 -10.813 1.905 -0.954
43 HA SER 8 HA SER 8 -12.514 3.075 1.191
44 1HB SER 8 2HB SER 8 -10.447 4.140 -0.456
45 2HB SER 8 1HB SER 8 -11.946 4.972 -0.851
46 HG SER 8 HG SER 8 -10.959 5.988 0.895
47 HA PRO 9 HA PRO 9 -15.915 2.409 -1.591
48 1HB PRO 9 2HB PRO 9 -17.813 3.597 0.004
49 2HB PRO 9 1HB PRO 9 -17.186 1.962 0.279
50 1HG PRO 9 2HG PRO 9 -16.606 4.471 1.781
51 2HG PRO 9 1HG PRO 9 -16.526 2.789 2.332
52 1HD PRO 9 2HD PRO 9 -14.320 4.407 1.588
53 2HD PRO 9 1HD PRO 9 -14.293 2.649 1.847
54 H GLU 10 H GLU 10 -14.353 5.266 -1.006
55 HA GLU 10 HA GLU 10 -16.370 6.924 -2.450
56 1HB GLU 10 2HB GLU 10 -13.927 7.650 -0.814
57 2HB GLU 10 1HB GLU 10 -14.824 8.827 -1.774
58 1HG GLU 10 2HG GLU 10 -15.988 9.078 0.186
59 2HG GLU 10 1HG GLU 10 -16.880 7.693 -0.446
60 H ASN 11 H ASN 11 -13.437 5.226 -2.875
61 HA ASN 11 HA ASN 11 -12.158 6.815 -4.858
62 1HB ASN 11 2HB ASN 11 -11.562 4.478 -3.590
63 2HB ASN 11 1HB ASN 11 -11.998 3.881 -5.192
64 1HD2 ASN 11 1HD2 ASN 11 -9.404 5.086 -3.409
65 2HD2 ASN 11 2HD2 ASN 11 -8.417 5.588 -4.695
66 HA PRO 12 HA PRO 12 -15.091 6.184 -8.146
67 1HB PRO 12 2HB PRO 12 -13.641 7.499 -10.076
68 2HB PRO 12 1HB PRO 12 -14.591 8.330 -8.831
69 1HG PRO 12 2HG PRO 12 -11.633 8.009 -9.031
70 2HG PRO 12 1HG PRO 12 -12.572 9.281 -8.232
71 1HD PRO 12 2HD PRO 12 -11.297 7.102 -6.949
72 2HD PRO 12 1HD PRO 12 -12.496 8.191 -6.218
73 H CYS 13 H CYS 13 -11.732 5.226 -8.205
74 HA CYS 13 HA CYS 13 -11.755 3.818 -10.720
75 1HB CYS 13 2HB CYS 13 -10.005 3.817 -8.288
76 2HB CYS 13 1HB CYS 13 -9.828 2.519 -9.463
77 H CYS 14 H CYS 14 -13.067 3.091 -7.600
78 HA CYS 14 HA CYS 14 -13.605 0.321 -8.575
79 1HB CYS 14 2HB CYS 14 -13.395 -0.543 -6.375
80 2HB CYS 14 1HB CYS 14 -11.998 0.503 -6.612
81 H ASP 15 H ASP 15 -15.327 -0.359 -6.480
82 HA ASP 15 HA ASP 15 -17.578 1.557 -6.683
83 1HB ASP 15 2HB ASP 15 -17.404 -0.469 -8.469
84 2HB ASP 15 1HB ASP 15 -18.240 -1.274 -7.152
85 H ALA 16 H ALA 16 -18.320 1.802 -4.633
86 HA ALA 16 HA ALA 16 -17.566 0.073 -2.481
87 1HB ALA 16 1HB ALA 16 -19.603 1.375 -1.373
88 2HB ALA 16 2HB ALA 16 -19.443 2.377 -2.814
89 3HB ALA 16 3HB ALA 16 -18.079 2.193 -1.711
90 H ALA 17 H ALA 17 -20.092 -0.125 -4.813
91 HA ALA 17 HA ALA 17 -21.906 -1.716 -3.176
92 1HB ALA 17 1HB ALA 17 -21.727 -1.081 -6.122
93 2HB ALA 17 2HB ALA 17 -22.956 -0.575 -4.963
94 3HB ALA 17 3HB ALA 17 -22.893 -2.252 -5.506
95 H THR 18 H THR 18 -20.122 -2.604 -6.149
96 HA THR 18 HA THR 18 -20.114 -5.417 -5.270
97 HB THR 18 HB THR 18 -20.491 -4.624 -7.679
98 HG1 THR 18 HG1 THR 18 -20.097 -6.699 -7.681
99 1HG2 THR 18 1HG2 THR 18 -18.095 -3.289 -7.215
100 2HG2 THR 18 2HG2 THR 18 -18.879 -3.507 -8.780
101 3HG2 THR 18 3HG2 THR 18 -17.638 -4.643 -8.250
102 H CYS 19 H CYS 19 -18.346 -2.901 -4.324
103 HA CYS 19 HA CYS 19 -16.092 -2.560 -3.709
104 1HB CYS 19 2HB CYS 19 -17.141 -4.777 -2.400
105 2HB CYS 19 1HB CYS 19 -15.604 -5.327 -3.011
106 H LYS 20 H LYS 20 -15.978 -2.673 -6.342
107 HA LYS 20 HA LYS 20 -13.452 -4.035 -6.816
108 1HB LYS 20 2HB LYS 20 -15.984 -5.263 -7.654
109 2HB LYS 20 1HB LYS 20 -14.772 -5.139 -8.936
110 1HG LYS 20 2HG LYS 20 -13.293 -5.961 -6.749
111 2HG LYS 20 1HG LYS 20 -14.807 -6.844 -6.554
112 1HD LYS 20 2HD LYS 20 -13.949 -8.316 -8.047
113 2HD LYS 20 1HD LYS 20 -14.302 -7.088 -9.263
114 1HE LYS 20 2HE LYS 20 -12.090 -6.255 -9.236
115 2HE LYS 20 1HE LYS 20 -11.721 -7.046 -7.702
116 1HZ LYS 20 1HZ LYS 20 -11.173 -8.029 -10.183
117 2HZ LYS 20 2HZ LYS 20 -12.559 -8.894 -9.720
118 3HZ LYS 20 3HZ LYS 20 -11.172 -8.919 -8.739
119 H LEU 21 H LEU 21 -12.583 -3.540 -8.984
120 HA LEU 21 HA LEU 21 -12.843 -0.848 -9.695
121 1HB LEU 21 2HB LEU 21 -11.838 -3.248 -11.182
122 2HB LEU 21 1HB LEU 21 -11.919 -1.677 -11.981
123 HG LEU 21 HG LEU 21 -10.632 -1.986 -9.277
124 1HD1 LEU 21 1HD1 LEU 21 -9.731 -3.341 -11.493
125 2HD1 LEU 21 2HD1 LEU 21 -8.708 -2.809 -10.158
126 3HD1 LEU 21 3HD1 LEU 21 -8.851 -1.818 -11.610
127 1HD2 LEU 21 1HD2 LEU 21 -10.549 0.244 -9.545
128 2HD2 LEU 21 2HD2 LEU 21 -11.043 0.129 -11.234
129 3HD2 LEU 21 3HD2 LEU 21 -9.344 -0.053 -10.796
130 H ARG 22 H ARG 22 -14.385 0.274 -10.708
131 HA ARG 22 HA ARG 22 -16.655 -1.135 -11.921
132 1HB ARG 22 2HB ARG 22 -16.464 1.219 -10.545
133 2HB ARG 22 1HB ARG 22 -16.499 1.801 -12.211
134 1HG ARG 22 2HG ARG 22 -18.494 0.212 -12.545
135 2HG ARG 22 1HG ARG 22 -18.552 0.112 -10.784
136 1HD ARG 22 2HD ARG 22 -18.796 2.546 -10.628
137 2HD ARG 22 1HD ARG 22 -18.673 2.687 -12.382
138 HE ARG 22 HE ARG 22 -20.963 1.427 -10.938
139 1HH1 ARG 22 1HH2 ARG 22 -20.022 0.834 -13.919
140 2HH1 ARG 22 2HH2 ARG 22 -21.231 1.745 -14.763
141 1HH2 ARG 22 1HH1 ARG 22 -22.299 3.448 -11.939
142 2HH2 ARG 22 2HH1 ARG 22 -22.520 3.223 -13.642
143 HA PRO 23 HA PRO 23 -14.926 1.078 -15.774
144 1HB PRO 23 2HB PRO 23 -12.514 2.372 -15.538
145 2HB PRO 23 1HB PRO 23 -14.076 3.154 -15.243
146 1HG PRO 23 2HG PRO 23 -12.017 2.294 -13.278
147 2HG PRO 23 1HG PRO 23 -13.274 3.529 -13.116
148 1HD PRO 23 2HD PRO 23 -13.333 0.891 -12.046
149 2HD PRO 23 1HD PRO 23 -14.676 2.055 -12.066
150 H GLY 24 H GLY 24 -12.630 0.900 -17.148
151 1HA GLY 24 2HA GLY 24 -11.825 -1.913 -16.764
152 2HA GLY 24 1HA GLY 24 -11.436 -0.907 -18.160
153 H ALA 25 H ALA 25 -10.909 0.500 -15.056
154 HA ALA 25 HA ALA 25 -8.155 0.988 -15.517
155 1HB ALA 25 1HB ALA 25 -9.593 2.236 -13.899
156 2HB ALA 25 2HB ALA 25 -8.069 1.704 -13.191
157 3HB ALA 25 3HB ALA 25 -9.559 0.830 -12.836
158 H GLN 26 H GLN 26 -6.557 0.197 -13.553
159 HA GLN 26 HA GLN 26 -6.694 -2.784 -13.661
160 1HB GLN 26 2HB GLN 26 -4.587 -0.907 -14.240
161 2HB GLN 26 1HB GLN 26 -4.086 -2.004 -12.954
162 1HG GLN 26 2HG GLN 26 -3.838 -3.685 -14.431
163 2HG GLN 26 1HG GLN 26 -5.497 -3.478 -14.991
164 1HE2 GLN 26 1HE2 GLN 26 -5.832 -1.707 -16.672
165 2HE2 GLN 26 2HE2 GLN 26 -4.566 -1.375 -17.752
166 H CYS 27 H CYS 27 -7.138 -0.232 -11.570
167 HA CYS 27 HA CYS 27 -7.275 -1.890 -9.259
168 1HB CYS 27 2HB CYS 27 -5.349 -0.827 -7.990
169 2HB CYS 27 1HB CYS 27 -4.865 -1.948 -9.258
170 H GLY 28 H GLY 28 -7.505 -0.475 -7.217
171 1HA GLY 28 2HA GLY 28 -8.863 2.059 -8.016
172 2HA GLY 28 1HA GLY 28 -9.313 1.095 -6.612
173 H GLU 29 H GLU 29 -6.358 0.682 -6.029
174 HA GLU 29 HA GLU 29 -5.097 3.191 -5.566
175 1HB GLU 29 2HB GLU 29 -5.620 3.592 -3.224
176 2HB GLU 29 1HB GLU 29 -7.128 3.529 -4.138
177 1HG GLU 29 2HG GLU 29 -7.855 1.759 -2.954
178 2HG GLU 29 1HG GLU 29 -6.359 0.877 -3.259
179 H GLY 30 H GLY 30 -3.083 2.907 -4.489
180 1HA GLY 30 2HA GLY 30 -2.374 0.656 -2.907
181 2HA GLY 30 1HA GLY 30 -1.945 0.304 -4.581
182 H LEU 31 H LEU 31 0.272 0.323 -3.379
183 HA LEU 31 HA LEU 31 1.337 2.992 -2.809
184 1HB LEU 31 2HB LEU 31 2.128 0.265 -2.330
185 2HB LEU 31 1HB LEU 31 3.471 1.190 -2.989
186 HG LEU 31 HG LEU 31 3.426 1.362 -0.535
187 1HD1 LEU 31 1HD1 LEU 31 2.741 4.025 -0.661
188 2HD1 LEU 31 2HD1 LEU 31 3.066 3.651 -2.354
189 3HD1 LEU 31 3HD1 LEU 31 4.307 3.370 -1.135
190 1HD2 LEU 31 1HD2 LEU 31 0.616 2.361 -1.060
191 2HD2 LEU 31 2HD2 LEU 31 1.461 2.652 0.461
192 3HD2 LEU 31 3HD2 LEU 31 1.106 1.001 -0.050
193 H CYS 32 H CYS 32 0.824 1.144 -5.568
194 HA CYS 32 HA CYS 32 2.511 2.961 -7.153
195 1HB CYS 32 2HB CYS 32 2.989 0.480 -8.375
196 2HB CYS 32 1HB CYS 32 4.160 1.466 -7.508
197 H CYS 33 H CYS 33 -0.015 3.351 -7.291
198 HA CYS 33 HA CYS 33 -0.887 2.025 -9.807
199 1HB CYS 33 2HB CYS 33 -2.189 1.821 -7.199
200 2HB CYS 33 1HB CYS 33 -3.263 2.485 -8.429
201 H GLU 34 H GLU 34 -1.136 3.639 -11.255
202 HA GLU 34 HA GLU 34 -1.401 6.406 -10.397
203 1HB GLU 34 2HB GLU 34 -1.223 6.961 -12.717
204 2HB GLU 34 1HB GLU 34 -0.139 5.594 -12.454
205 1HG GLU 34 2HG GLU 34 -1.244 4.462 -14.052
206 2HG GLU 34 1HG GLU 34 -2.683 4.495 -13.033
207 H GLN 35 H GLN 35 -3.111 7.433 -12.362
208 HA GLN 35 HA GLN 35 -5.631 7.291 -11.076
209 1HB GLN 35 2HB GLN 35 -4.465 8.761 -13.187
210 2HB GLN 35 1HB GLN 35 -5.924 8.025 -13.849
211 1HG GLN 35 2HG GLN 35 -6.671 10.069 -12.909
212 2HG GLN 35 1HG GLN 35 -7.098 8.848 -11.709
213 1HE2 GLN 35 1HE2 GLN 35 -4.200 10.870 -12.503
214 2HE2 GLN 35 2HE2 GLN 35 -3.859 11.264 -10.887
215 H CYS 36 H CYS 36 -6.210 5.048 -10.906
216 HA CYS 36 HA CYS 36 -7.380 3.137 -11.616
217 1HB CYS 36 2HB CYS 36 -8.113 5.264 -13.539
218 2HB CYS 36 1HB CYS 36 -8.353 3.615 -14.119
219 H LYS 37 H LYS 37 -4.562 3.187 -12.107
220 HA LYS 37 HA LYS 37 -4.438 1.182 -14.231
221 1HB LYS 37 2HB LYS 37 -3.974 3.861 -14.953
222 2HB LYS 37 1HB LYS 37 -2.375 3.125 -14.832
223 1HG LYS 37 2HG LYS 37 -2.699 2.045 -16.776
224 2HG LYS 37 1HG LYS 37 -4.143 1.269 -16.122
225 1HD LYS 37 2HD LYS 37 -5.572 2.901 -16.971
226 2HD LYS 37 1HD LYS 37 -4.303 4.126 -17.027
227 1HE LYS 37 2HE LYS 37 -3.353 2.151 -18.729
228 2HE LYS 37 1HE LYS 37 -5.086 2.169 -19.058
229 1HZ LYS 37 1HZ LYS 37 -3.610 4.707 -18.870
230 2HZ LYS 37 2HZ LYS 37 -5.029 4.349 -19.732
231 3HZ LYS 37 3HZ LYS 37 -3.526 3.798 -20.299
232 H PHE 38 H PHE 38 -2.359 0.071 -14.245
233 HA PHE 38 HA PHE 38 -1.139 -0.044 -11.608
234 1HB PHE 38 2HB PHE 38 -0.822 -1.483 -14.207
235 2HB PHE 38 1HB PHE 38 0.518 -1.557 -13.064
236 HD1 PHE 38 HD1 PHE 38 -2.007 -3.491 -14.100
237 HD2 PHE 38 HD2 PHE 38 -0.721 -1.611 -10.459
238 HE1 PHE 38 HE1 PHE 38 -3.222 -5.207 -12.786
239 HE2 PHE 38 HE2 PHE 38 -1.936 -3.328 -9.144
240 HZ PHE 38 HZ PHE 38 -3.187 -5.125 -10.309
241 H SER 39 H SER 39 0.418 1.394 -10.955
242 HA SER 39 HA SER 39 1.676 3.300 -12.585
243 1HB SER 39 2HB SER 39 2.392 2.067 -9.971
244 2HB SER 39 1HB SER 39 3.561 3.112 -10.761
245 HG SER 39 HG SER 39 0.884 3.926 -10.539
246 H ARG 40 H ARG 40 4.117 3.316 -13.092
247 HA ARG 40 HA ARG 40 4.706 0.872 -14.564
248 1HB ARG 40 2HB ARG 40 5.861 3.610 -14.445
249 2HB ARG 40 1HB ARG 40 6.829 2.309 -15.130
250 1HG ARG 40 2HG ARG 40 4.794 1.750 -16.572
251 2HG ARG 40 1HG ARG 40 4.122 3.295 -16.050
252 1HD ARG 40 2HD ARG 40 6.519 4.184 -16.795
253 2HD ARG 40 1HD ARG 40 6.469 2.749 -17.819
254 HE ARG 40 HE ARG 40 4.135 3.747 -18.521
255 1HH1 ARG 40 1HH2 ARG 40 5.691 6.091 -16.843
256 2HH1 ARG 40 2HH2 ARG 40 5.890 7.201 -18.157
257 1HH2 ARG 40 1HH1 ARG 40 4.944 4.909 -20.583
258 2HH2 ARG 40 2HH1 ARG 40 5.468 6.531 -20.277
259 H ALA 41 H ALA 41 6.496 -0.489 -14.162
260 HA ALA 41 HA ALA 41 7.223 -1.000 -11.504
261 1HB ALA 41 1HB ALA 41 7.620 -2.471 -13.562
262 2HB ALA 41 2HB ALA 41 8.921 -2.446 -12.373
263 3HB ALA 41 3HB ALA 41 9.061 -1.501 -13.856
264 H GLY 42 H GLY 42 9.877 -0.964 -11.053
265 1HA GLY 42 2HA GLY 42 11.528 0.516 -10.252
266 2HA GLY 42 1HA GLY 42 11.359 1.304 -11.824
267 H LYS 43 H LYS 43 8.567 0.979 -9.795
268 HA LYS 43 HA LYS 43 8.402 3.911 -9.584
269 1HB LYS 43 2HB LYS 43 6.339 2.938 -10.220
270 2HB LYS 43 1HB LYS 43 6.488 1.651 -9.029
271 1HG LYS 43 2HG LYS 43 4.862 3.233 -8.192
272 2HG LYS 43 1HG LYS 43 6.322 3.411 -7.224
273 1HD LYS 43 2HD LYS 43 7.017 5.332 -8.597
274 2HD LYS 43 1HD LYS 43 5.579 5.144 -9.600
275 1HE LYS 43 2HE LYS 43 5.551 5.703 -6.619
276 2HE LYS 43 1HE LYS 43 5.284 6.910 -7.878
277 1HZ LYS 43 1HZ LYS 43 3.633 4.650 -8.305
278 2HZ LYS 43 2HZ LYS 43 3.188 6.273 -8.070
279 3HZ LYS 43 3HZ LYS 43 3.401 5.245 -6.734
280 H ILE 44 H ILE 44 8.794 5.020 -7.674
281 HA ILE 44 HA ILE 44 9.936 3.490 -5.484
282 HB ILE 44 HB ILE 44 9.761 6.299 -6.269
283 1HG1 ILE 44 2HG1 ILE 44 11.793 4.862 -6.323
284 2HG1 ILE 44 1HG1 ILE 44 12.014 6.302 -5.324
285 1HG2 ILE 44 1HG2 ILE 44 10.294 6.982 -3.826
286 2HG2 ILE 44 2HG2 ILE 44 9.472 5.486 -3.381
287 3HG2 ILE 44 3HG2 ILE 44 8.600 6.743 -4.258
288 1HD1 ILE 44 1HD1 ILE 44 10.880 4.201 -3.718
289 2HD1 ILE 44 2HD1 ILE 44 12.422 5.032 -3.512
290 3HD1 ILE 44 3HD1 ILE 44 12.322 3.595 -4.532
291 H CYS 45 H CYS 45 8.449 2.264 -4.418
292 HA CYS 45 HA CYS 45 5.870 3.449 -3.590
293 1HB CYS 45 2HB CYS 45 5.511 1.145 -2.591
294 2HB CYS 45 1HB CYS 45 5.737 1.162 -4.339
295 H ARG 46 H ARG 46 9.009 3.385 -2.481
296 HA ARG 46 HA ARG 46 8.150 4.189 0.223
297 1HB ARG 46 2HB ARG 46 9.893 1.794 -0.363
298 2HB ARG 46 1HB ARG 46 10.025 2.667 1.165
299 1HG ARG 46 2HG ARG 46 7.262 2.292 0.737
300 2HG ARG 46 1HG ARG 46 8.021 0.752 0.339
301 1HD ARG 46 2HD ARG 46 8.889 0.471 2.484
302 2HD ARG 46 1HD ARG 46 8.858 2.200 2.832
303 HE ARG 46 HE ARG 46 6.231 1.770 2.699
304 1HH1 ARG 46 1HH2 ARG 46 7.984 -1.028 3.157
305 2HH1 ARG 46 2HH2 ARG 46 7.289 -1.436 4.690
306 1HH2 ARG 46 1HH1 ARG 46 5.632 1.590 5.043
307 2HH2 ARG 46 2HH1 ARG 46 5.956 0.046 5.758
308 H ILE 47 H ILE 47 10.091 5.112 1.441
309 HA ILE 47 HA ILE 47 12.074 6.215 -0.511
310 HB ILE 47 HB ILE 47 10.434 7.914 0.267
311 1HG1 ILE 47 2HG1 ILE 47 12.719 8.948 1.709
312 2HG1 ILE 47 1HG1 ILE 47 13.255 8.062 0.280
313 1HG2 ILE 47 1HG2 ILE 47 11.622 7.858 3.000
314 2HG2 ILE 47 2HG2 ILE 47 10.427 6.617 2.620
315 3HG2 ILE 47 3HG2 ILE 47 9.999 8.323 2.488
316 1HD1 ILE 47 1HD1 ILE 47 10.938 9.663 -0.364
317 2HD1 ILE 47 2HD1 ILE 47 12.551 9.713 -1.077
318 3HD1 ILE 47 3HD1 ILE 47 12.190 10.674 0.358
319 H ALA 48 H ALA 48 13.975 5.200 -0.072
320 HA ALA 48 HA ALA 48 14.640 4.028 2.448
321 1HB ALA 48 1HB ALA 48 16.320 3.144 1.243
322 2HB ALA 48 2HB ALA 48 16.984 4.744 0.911
323 3HB ALA 48 3HB ALA 48 15.739 4.071 -0.139
324 H ARG 49 H ARG 49 15.261 5.053 4.274
325 HA ARG 49 HA ARG 49 16.455 7.772 4.034
326 1HB ARG 49 2HB ARG 49 14.887 6.622 6.302
327 2HB ARG 49 1HB ARG 49 15.419 8.295 6.155
328 1HG ARG 49 2HG ARG 49 13.825 7.218 3.890
329 2HG ARG 49 1HG ARG 49 12.951 7.462 5.402
330 1HD ARG 49 2HD ARG 49 14.632 9.552 3.989
331 2HD ARG 49 1HD ARG 49 12.871 9.491 3.998
332 HE ARG 49 HE ARG 49 14.551 10.032 6.408
333 1HH1 ARG 49 1HH1 ARG 49 11.559 8.906 6.240
334 2HH1 ARG 49 2HH1 ARG 49 10.719 10.343 6.721
335 1HH2 ARG 49 1HH2 ARG 49 13.490 12.398 6.352
336 2HH2 ARG 49 2HH2 ARG 49 11.814 12.323 6.785
337 H GLY 50 H GLY 50 16.772 4.610 5.354
338 1HA GLY 50 2HA GLY 50 18.842 5.356 7.268
339 2HA GLY 50 1HA GLY 50 18.298 3.718 6.930
340 H ASP 51 H ASP 51 19.648 6.258 4.797
341 HA ASP 51 HA ASP 51 21.345 6.069 3.180
342 1HB ASP 51 2HB ASP 51 22.363 5.467 5.766
343 2HB ASP 51 1HB ASP 51 23.144 4.384 4.616
344 H TRP 52 H TRP 52 20.441 4.767 1.561
345 HA TRP 52 HA TRP 52 21.634 2.379 0.842
346 1HB TRP 52 2HB TRP 52 19.767 0.717 1.486
347 2HB TRP 52 1HB TRP 52 20.906 1.185 2.743
348 HD1 TRP 52 HD1 TRP 52 18.248 3.709 1.767
349 HE1 TRP 52 HE1 TRP 52 16.546 3.913 3.662
350 HE3 TRP 52 HE3 TRP 52 19.745 -0.164 4.729
351 HZ2 TRP 52 HZ2 TRP 52 15.889 2.637 6.127
352 HZ3 TRP 52 HZ3 TRP 52 18.560 -0.646 6.854
353 HH2 TRP 52 HH2 TRP 52 16.634 0.755 7.555
354 H ASN 53 H ASN 53 19.902 0.925 -0.516
355 HA ASN 53 HA ASN 53 18.876 2.748 -2.520
356 1HB ASN 53 2HB ASN 53 19.233 -0.148 -2.207
357 2HB ASN 53 1HB ASN 53 17.780 0.283 -3.108
358 1HD2 ASN 53 1HD2 ASN 53 19.345 -0.849 -4.838
359 2HD2 ASN 53 2HD2 ASN 53 20.314 0.222 -5.729
360 H ASP 54 H ASP 54 16.543 2.411 -3.342
361 HA ASP 54 HA ASP 54 14.718 2.496 -0.985
362 1HB ASP 54 2HB ASP 54 14.021 3.506 -3.707
363 2HB ASP 54 1HB ASP 54 13.368 4.005 -2.155
364 H ASP 55 H ASP 55 12.308 2.014 -1.999
365 HA ASP 55 HA ASP 55 12.542 -0.752 -3.067
366 1HB ASP 55 2HB ASP 55 11.261 -0.151 -0.891
367 2HB ASP 55 1HB ASP 55 10.032 0.462 -1.991
368 H ARG 56 H ARG 56 11.472 -1.335 -4.982
369 HA ARG 56 HA ARG 56 10.116 0.883 -6.432
370 1HB ARG 56 2HB ARG 56 11.806 -1.253 -7.690
371 2HB ARG 56 1HB ARG 56 11.112 0.149 -8.489
372 1HG ARG 56 2HG ARG 56 12.752 0.822 -6.147
373 2HG ARG 56 1HG ARG 56 13.660 0.036 -7.439
374 1HD ARG 56 2HD ARG 56 12.551 1.691 -9.038
375 2HD ARG 56 1HD ARG 56 12.015 2.569 -7.606
376 HE ARG 56 HE ARG 56 14.196 3.427 -7.470
377 1HH1 ARG 56 1HH1 ARG 56 14.390 1.736 -10.218
378 2HH1 ARG 56 2HH1 ARG 56 15.989 1.107 -9.998
379 1HH2 ARG 56 1HH2 ARG 56 16.175 2.009 -6.657
380 2HH2 ARG 56 2HH2 ARG 56 16.998 1.261 -7.985
381 H CYS 57 H CYS 57 8.351 0.227 -7.796
382 HA CYS 57 HA CYS 57 7.206 -2.410 -7.033
383 1HB CYS 57 2HB CYS 57 6.033 0.143 -8.135
384 2HB CYS 57 1HB CYS 57 5.156 -1.374 -8.274
385 H THR 58 H THR 58 5.984 -3.496 -8.903
386 HA THR 58 HA THR 58 7.801 -3.593 -11.236
387 HB THR 58 HB THR 58 6.879 -5.704 -11.699
388 HG1 THR 58 HG1 THR 58 4.660 -4.881 -10.138
389 1HG2 THR 58 1HG2 THR 58 7.270 -6.861 -9.751
390 2HG2 THR 58 2HG2 THR 58 6.253 -5.791 -8.786
391 3HG2 THR 58 3HG2 THR 58 7.877 -5.282 -9.251
392 H GLY 59 H GLY 59 6.252 -4.221 -13.330
393 1HA GLY 59 2HA GLY 59 4.721 -1.731 -13.749
394 2HA GLY 59 1HA GLY 59 5.192 -2.876 -15.003
395 H GLN 60 H GLN 60 3.785 -4.190 -12.122
396 HA GLN 60 HA GLN 60 1.039 -4.118 -13.146
397 1HB GLN 60 2HB GLN 60 0.802 -6.467 -13.570
398 2HB GLN 60 1HB GLN 60 2.235 -5.944 -14.457
399 1HG GLN 60 2HG GLN 60 3.485 -6.589 -12.225
400 2HG GLN 60 1HG GLN 60 2.055 -7.585 -11.951
401 1HE2 GLN 60 1HE2 GLN 60 4.692 -7.003 -14.305
402 2HE2 GLN 60 2HE2 GLN 60 4.620 -8.548 -15.006
403 H SER 61 H SER 61 2.822 -3.712 -10.604
404 HA SER 61 HA SER 61 1.059 -5.321 -8.793
405 1HB SER 61 2HB SER 61 3.307 -6.101 -8.492
406 2HB SER 61 1HB SER 61 3.940 -4.458 -8.456
407 HG SER 61 HG SER 61 3.140 -5.915 -6.425
408 H ALA 62 H ALA 62 -0.302 -4.095 -7.587
409 HA ALA 62 HA ALA 62 0.035 -1.176 -7.541
410 1HB ALA 62 1HB ALA 62 -2.085 -3.013 -6.395
411 2HB ALA 62 2HB ALA 62 -2.214 -2.018 -7.845
412 3HB ALA 62 3HB ALA 62 -2.132 -1.254 -6.258
413 H ASP 63 H ASP 63 0.224 -3.887 -5.250
414 HA ASP 63 HA ASP 63 0.717 -2.083 -2.993
415 1HB ASP 63 2HB ASP 63 1.403 -4.958 -2.811
416 2HB ASP 63 1HB ASP 63 0.571 -3.932 -1.651
417 H CYS 64 H CYS 64 2.764 -2.640 -1.627
418 HA CYS 64 HA CYS 64 5.104 -3.021 -3.439
419 1HB CYS 64 2HB CYS 64 4.959 -0.640 -3.120
420 2HB CYS 64 1HB CYS 64 4.685 -0.831 -1.390
421 HA PRO 65 HA PRO 65 6.079 -5.852 -0.221
422 1HB PRO 65 2HB PRO 65 8.358 -6.756 -1.438
423 2HB PRO 65 1HB PRO 65 6.741 -7.298 -1.889
424 1HG PRO 65 2HG PRO 65 8.601 -5.473 -3.323
425 2HG PRO 65 1HG PRO 65 7.277 -6.460 -3.969
426 1HD PRO 65 2HD PRO 65 7.203 -3.671 -3.473
427 2HD PRO 65 1HD PRO 65 5.814 -4.714 -3.846
428 H ARG 66 H ARG 66 8.727 -6.442 0.463
429 HA ARG 66 HA ARG 66 9.650 -3.828 1.504
430 1HB ARG 66 2HB ARG 66 10.808 -5.165 3.254
431 2HB ARG 66 1HB ARG 66 9.065 -5.436 3.249
432 1HG ARG 66 2HG ARG 66 10.085 -7.304 1.421
433 2HG ARG 66 1HG ARG 66 11.213 -7.333 2.778
434 1HD ARG 66 2HD ARG 66 9.294 -7.603 4.337
435 2HD ARG 66 1HD ARG 66 8.201 -7.652 2.953
436 HE ARG 66 HE ARG 66 10.186 -9.757 3.652
437 1HH1 ARG 66 1HH1 ARG 66 9.822 -9.513 0.698
438 2HH1 ARG 66 2HH1 ARG 66 8.500 -10.591 0.398
439 1HH2 ARG 66 1HH2 ARG 66 7.517 -10.732 3.721
440 2HH2 ARG 66 2HH2 ARG 66 7.195 -11.281 2.110
441 H TYR 67 H TYR 67 11.748 -3.156 1.112
442 HA TYR 67 HA TYR 67 13.912 -4.811 0.330
443 1HB TYR 67 2HB TYR 67 12.050 -4.502 -1.743
444 2HB TYR 67 1HB TYR 67 13.363 -3.388 -2.125
445 HD1 TYR 67 HD1 TYR 67 12.275 -6.713 -2.443
446 HD2 TYR 67 HD2 TYR 67 15.808 -4.391 -1.680
447 HE1 TYR 67 HE1 TYR 67 13.686 -8.621 -3.165
448 HE2 TYR 67 HE2 TYR 67 17.218 -6.299 -2.404
449 HH TYR 67 HH TYR 67 17.120 -8.652 -2.692
450 H HIS 68 HN HIS 68 14.246 -2.995 2.061
451 HA HIS 68 HA HIS 68 15.476 -0.677 0.641
452 1HB HIS 68 2HB HIS 68 14.754 0.742 2.612
453 2HB HIS 68 1HB HIS 68 13.432 0.197 1.578
454 HD1 HIS 68 HD1 HIS 68 11.770 -1.511 2.553
455 HD2 HIS 68 HD2 HIS 68 14.871 -0.564 5.172
456 HE1 HIS 68 HE1 HIS 68 11.132 -2.486 4.802
Start of MODEL 18
1 1H GLY 1 1HT GLY 1 -12.629 -12.045 3.569
2 2H GLY 1 2HT GLY 1 -12.884 -13.563 2.851
3 3H GLY 1 3HT GLY 1 -14.209 -12.612 3.330
4 1HA GLY 1 1HA GLY 1 -12.279 -11.958 1.170
5 2HA GLY 1 2HA GLY 1 -13.942 -12.499 0.945
6 H LYS 2 H LYS 2 -14.364 -10.455 -0.166
7 HA LYS 2 HA LYS 2 -15.533 -8.465 1.513
8 1HB LYS 2 2HB LYS 2 -13.995 -6.606 1.211
9 2HB LYS 2 1HB LYS 2 -13.117 -7.946 1.949
10 1HG LYS 2 2HG LYS 2 -12.246 -8.607 -0.257
11 2HG LYS 2 1HG LYS 2 -13.136 -7.284 -1.010
12 1HD LYS 2 2HD LYS 2 -11.839 -5.834 0.799
13 2HD LYS 2 1HD LYS 2 -10.703 -7.182 0.728
14 1HE LYS 2 2HE LYS 2 -10.128 -6.768 -1.473
15 2HE LYS 2 1HE LYS 2 -11.694 -6.048 -1.855
16 1HZ LYS 2 1HZ LYS 2 -10.409 -4.512 0.124
17 2HZ LYS 2 2HZ LYS 2 -10.871 -4.053 -1.445
18 3HZ LYS 2 3HZ LYS 2 -9.341 -4.738 -1.173
19 H GLU 3 H GLU 3 -16.822 -7.085 0.273
20 HA GLU 3 HA GLU 3 -16.623 -7.469 -2.692
21 1HB GLU 3 2HB GLU 3 -19.152 -6.661 -2.435
22 2HB GLU 3 1HB GLU 3 -18.710 -8.356 -2.226
23 1HG GLU 3 2HG GLU 3 -18.571 -8.046 0.203
24 2HG GLU 3 1HG GLU 3 -18.944 -6.331 0.021
25 H CYS 4 H CYS 4 -15.054 -5.616 -2.495
26 HA CYS 4 HA CYS 4 -16.202 -3.208 -3.383
27 1HB CYS 4 2HB CYS 4 -16.896 -3.162 -0.912
28 2HB CYS 4 1HB CYS 4 -15.204 -2.832 -0.612
29 H ASP 5 H ASP 5 -14.403 -4.125 -4.701
30 HA ASP 5 HA ASP 5 -11.732 -4.277 -4.228
31 1HB ASP 5 2HB ASP 5 -12.967 -4.321 -6.478
32 2HB ASP 5 1HB ASP 5 -12.737 -2.573 -6.508
33 H CYS 6 H CYS 6 -13.625 -1.306 -4.079
34 HA CYS 6 HA CYS 6 -11.095 0.164 -3.437
35 1HB CYS 6 2HB CYS 6 -13.648 0.955 -4.746
36 2HB CYS 6 1HB CYS 6 -12.862 2.161 -3.732
37 H SER 7 H SER 7 -11.381 1.885 -1.723
38 HA SER 7 HA SER 7 -13.082 0.790 0.469
39 1HB SER 7 2HB SER 7 -11.410 2.606 1.664
40 2HB SER 7 1HB SER 7 -11.068 0.883 1.521
41 HG SER 7 HG SER 7 -9.932 1.319 -0.376
42 H SER 8 H SER 8 -13.367 3.043 -1.839
43 HA SER 8 HA SER 8 -14.941 4.830 -0.052
44 1HB SER 8 2HB SER 8 -12.586 5.550 -1.502
45 2HB SER 8 1HB SER 8 -13.961 6.382 -2.220
46 HG SER 8 HG SER 8 -12.748 7.220 -0.194
47 HA PRO 9 HA PRO 9 -17.978 4.074 -3.170
48 1HB PRO 9 2HB PRO 9 -19.815 5.914 -2.290
49 2HB PRO 9 1HB PRO 9 -19.537 4.356 -1.493
50 1HG PRO 9 2HG PRO 9 -18.715 7.082 -0.616
51 2HG PRO 9 1HG PRO 9 -19.003 5.630 0.357
52 1HD PRO 9 2HD PRO 9 -16.468 6.663 -0.406
53 2HD PRO 9 1HD PRO 9 -16.782 5.073 0.326
54 H GLU 10 H GLU 10 -15.916 6.588 -3.208
55 HA GLU 10 HA GLU 10 -17.330 7.903 -5.492
56 1HB GLU 10 2HB GLU 10 -15.399 9.404 -3.735
57 2HB GLU 10 1HB GLU 10 -16.679 10.038 -4.770
58 1HG GLU 10 2HG GLU 10 -17.942 10.159 -2.899
59 2HG GLU 10 1HG GLU 10 -18.045 8.401 -2.990
60 H ASN 11 H ASN 11 -15.011 5.825 -4.910
61 HA ASN 11 HA ASN 11 -12.718 7.069 -6.172
62 1HB ASN 11 2HB ASN 11 -13.157 4.776 -4.650
63 2HB ASN 11 1HB ASN 11 -12.748 4.158 -6.249
64 1HD2 ASN 11 1HD2 ASN 11 -10.938 3.825 -4.074
65 2HD2 ASN 11 2HD2 ASN 11 -9.566 4.784 -4.353
66 HA PRO 12 HA PRO 12 -14.248 6.306 -10.287
67 1HB PRO 12 2HB PRO 12 -12.045 7.312 -11.585
68 2HB PRO 12 1HB PRO 12 -13.309 8.330 -10.871
69 1HG PRO 12 2HG PRO 12 -10.547 7.803 -9.885
70 2HG PRO 12 1HG PRO 12 -11.594 9.202 -9.596
71 1HD PRO 12 2HD PRO 12 -11.118 7.068 -7.788
72 2HD PRO 12 1HD PRO 12 -12.376 8.313 -7.635
73 H CYS 13 H CYS 13 -12.045 4.546 -8.649
74 HA CYS 13 HA CYS 13 -11.004 3.063 -11.018
75 1HB CYS 13 2HB CYS 13 -10.234 2.822 -8.101
76 2HB CYS 13 1HB CYS 13 -9.425 2.048 -9.461
77 H CYS 14 H CYS 14 -13.326 2.871 -8.483
78 HA CYS 14 HA CYS 14 -13.875 0.071 -9.339
79 1HB CYS 14 2HB CYS 14 -14.124 0.989 -6.481
80 2HB CYS 14 1HB CYS 14 -14.160 -0.660 -7.092
81 H ASP 15 H ASP 15 -15.945 -0.101 -10.009
82 HA ASP 15 HA ASP 15 -17.874 1.831 -10.183
83 1HB ASP 15 2HB ASP 15 -17.922 -0.663 -10.910
84 2HB ASP 15 1HB ASP 15 -18.682 -0.919 -9.348
85 H ALA 16 H ALA 16 -18.932 3.073 -8.720
86 HA ALA 16 HA ALA 16 -18.775 2.396 -5.878
87 1HB ALA 16 1HB ALA 16 -19.164 4.619 -5.481
88 2HB ALA 16 2HB ALA 16 -20.335 4.752 -6.791
89 3HB ALA 16 3HB ALA 16 -18.608 4.763 -7.148
90 H ALA 17 H ALA 17 -20.752 1.356 -8.222
91 HA ALA 17 HA ALA 17 -23.228 1.579 -6.573
92 1HB ALA 17 1HB ALA 17 -23.437 2.305 -8.930
93 2HB ALA 17 2HB ALA 17 -24.421 0.874 -8.617
94 3HB ALA 17 3HB ALA 17 -22.882 0.719 -9.464
95 H THR 18 H THR 18 -20.681 -0.495 -7.346
96 HA THR 18 HA THR 18 -22.190 -2.792 -6.222
97 HB THR 18 HB THR 18 -20.958 -2.550 -8.877
98 HG1 THR 18 HG1 THR 18 -22.417 -4.431 -9.089
99 1HG2 THR 18 1HG2 THR 18 -19.238 -3.964 -7.893
100 2HG2 THR 18 2HG2 THR 18 -20.260 -4.943 -8.944
101 3HG2 THR 18 3HG2 THR 18 -20.468 -5.018 -7.194
102 H CYS 19 H CYS 19 -19.707 -0.721 -5.801
103 HA CYS 19 HA CYS 19 -17.648 -0.824 -4.662
104 1HB CYS 19 2HB CYS 19 -19.565 -2.480 -3.283
105 2HB CYS 19 1HB CYS 19 -17.943 -3.078 -3.048
106 H LYS 20 H LYS 20 -16.586 -1.454 -6.676
107 HA LYS 20 HA LYS 20 -14.853 -3.692 -6.387
108 1HB LYS 20 2HB LYS 20 -17.349 -4.175 -7.961
109 2HB LYS 20 1HB LYS 20 -15.831 -4.827 -8.582
110 1HG LYS 20 2HG LYS 20 -15.720 -5.473 -5.890
111 2HG LYS 20 1HG LYS 20 -17.424 -5.704 -6.281
112 1HD LYS 20 2HD LYS 20 -15.316 -6.793 -8.128
113 2HD LYS 20 1HD LYS 20 -15.740 -7.680 -6.663
114 1HE LYS 20 2HE LYS 20 -18.215 -7.226 -7.514
115 2HE LYS 20 1HE LYS 20 -17.411 -7.104 -9.078
116 1HZ LYS 20 1HZ LYS 20 -18.138 -9.411 -7.783
117 2HZ LYS 20 2HZ LYS 20 -16.452 -9.328 -7.586
118 3HZ LYS 20 3HZ LYS 20 -17.131 -9.289 -9.142
119 H LEU 21 H LEU 21 -13.325 -3.785 -8.231
120 HA LEU 21 HA LEU 21 -12.635 -1.293 -9.279
121 1HB LEU 21 2HB LEU 21 -12.036 -4.074 -10.067
122 2HB LEU 21 1HB LEU 21 -11.879 -2.884 -11.357
123 HG LEU 21 HG LEU 21 -10.547 -2.637 -8.644
124 1HD1 LEU 21 1HD1 LEU 21 -9.506 -3.550 -11.326
125 2HD1 LEU 21 2HD1 LEU 21 -9.487 -4.448 -9.809
126 3HD1 LEU 21 3HD1 LEU 21 -8.454 -3.032 -10.009
127 1HD2 LEU 21 1HD2 LEU 21 -10.843 -0.881 -10.984
128 2HD2 LEU 21 2HD2 LEU 21 -9.204 -1.017 -10.345
129 3HD2 LEU 21 3HD2 LEU 21 -10.517 -0.476 -9.299
130 H ARG 22 H ARG 22 -12.566 -0.880 -11.708
131 HA ARG 22 HA ARG 22 -15.260 -1.369 -12.884
132 1HB ARG 22 2HB ARG 22 -13.907 1.108 -12.320
133 2HB ARG 22 1HB ARG 22 -14.026 0.919 -14.070
134 1HG ARG 22 2HG ARG 22 -16.522 0.101 -13.164
135 2HG ARG 22 1HG ARG 22 -16.133 1.466 -12.118
136 1HD ARG 22 2HD ARG 22 -16.524 2.917 -13.791
137 2HD ARG 22 1HD ARG 22 -15.375 2.078 -14.833
138 HE ARG 22 HE ARG 22 -18.181 1.085 -14.561
139 1HH1 ARG 22 1HH1 ARG 22 -16.487 3.205 -16.463
140 2HH1 ARG 22 2HH1 ARG 22 -16.727 2.365 -17.959
141 1HH2 ARG 22 1HH2 ARG 22 -18.071 -0.459 -16.460
142 2HH2 ARG 22 2HH2 ARG 22 -17.624 0.289 -17.957
143 HA PRO 23 HA PRO 23 -12.980 -3.317 -16.129
144 1HB PRO 23 2HB PRO 23 -14.824 -2.938 -18.153
145 2HB PRO 23 1HB PRO 23 -14.980 -4.173 -16.889
146 1HG PRO 23 2HG PRO 23 -16.361 -1.510 -17.106
147 2HG PRO 23 1HG PRO 23 -16.977 -3.043 -16.459
148 1HD PRO 23 2HD PRO 23 -16.083 -0.977 -14.835
149 2HD PRO 23 1HD PRO 23 -16.059 -2.682 -14.363
150 H GLY 24 H GLY 24 -11.565 -1.247 -15.864
151 1HA GLY 24 2HA GLY 24 -10.776 -0.253 -18.373
152 2HA GLY 24 1HA GLY 24 -11.786 0.983 -17.614
153 H ALA 25 H ALA 25 -9.767 -1.281 -15.820
154 HA ALA 25 HA ALA 25 -7.553 0.530 -15.429
155 1HB ALA 25 1HB ALA 25 -9.870 0.588 -13.581
156 2HB ALA 25 2HB ALA 25 -8.651 1.824 -13.890
157 3HB ALA 25 3HB ALA 25 -8.289 0.480 -12.809
158 H GLN 26 H GLN 26 -6.344 -0.386 -13.235
159 HA GLN 26 HA GLN 26 -6.651 -3.356 -13.312
160 1HB GLN 26 2HB GLN 26 -4.502 -1.879 -14.374
161 2HB GLN 26 1HB GLN 26 -3.904 -2.554 -12.858
162 1HG GLN 26 2HG GLN 26 -3.503 -4.383 -14.176
163 2HG GLN 26 1HG GLN 26 -5.199 -4.714 -13.833
164 1HE2 GLN 26 1HE2 GLN 26 -2.937 -3.975 -16.352
165 2HE2 GLN 26 2HE2 GLN 26 -4.064 -3.829 -17.613
166 H CYS 27 H CYS 27 -7.087 -0.863 -11.342
167 HA CYS 27 HA CYS 27 -6.914 -2.393 -8.977
168 1HB CYS 27 2HB CYS 27 -4.659 -2.408 -8.708
169 2HB CYS 27 1HB CYS 27 -4.429 -1.042 -9.780
170 H GLY 28 H GLY 28 -7.362 -1.045 -7.016
171 1HA GLY 28 2HA GLY 28 -8.866 1.390 -7.824
172 2HA GLY 28 1HA GLY 28 -9.196 0.435 -6.383
173 H GLU 29 H GLU 29 -6.352 0.205 -5.684
174 HA GLU 29 HA GLU 29 -5.188 2.814 -5.420
175 1HB GLU 29 2HB GLU 29 -5.664 3.168 -3.019
176 2HB GLU 29 1HB GLU 29 -7.139 3.195 -3.985
177 1HG GLU 29 2HG GLU 29 -7.920 1.670 -2.503
178 2HG GLU 29 1HG GLU 29 -6.898 0.522 -3.370
179 H GLY 30 H GLY 30 -3.083 2.592 -4.706
180 1HA GLY 30 2HA GLY 30 -2.138 0.643 -2.866
181 2HA GLY 30 1HA GLY 30 -1.912 0.010 -4.498
182 H LEU 31 H LEU 31 0.363 0.484 -3.035
183 HA LEU 31 HA LEU 31 1.448 3.114 -3.239
184 1HB LEU 31 2HB LEU 31 2.427 0.444 -2.663
185 2HB LEU 31 1HB LEU 31 3.618 1.425 -3.503
186 HG LEU 31 HG LEU 31 3.634 1.578 -0.957
187 1HD1 LEU 31 1HD1 LEU 31 3.053 4.237 -2.261
188 2HD1 LEU 31 2HD1 LEU 31 4.499 3.315 -2.675
189 3HD1 LEU 31 3HD1 LEU 31 4.247 3.861 -1.018
190 1HD2 LEU 31 1HD2 LEU 31 1.068 1.645 -0.887
191 2HD2 LEU 31 2HD2 LEU 31 1.205 3.329 -1.391
192 3HD2 LEU 31 3HD2 LEU 31 1.908 2.806 0.140
193 H CYS 32 H CYS 32 0.774 0.753 -5.600
194 HA CYS 32 HA CYS 32 2.290 2.340 -7.625
195 1HB CYS 32 2HB CYS 32 1.971 -0.421 -8.450
196 2HB CYS 32 1HB CYS 32 3.447 0.525 -8.318
197 H CYS 33 H CYS 33 -0.220 3.099 -7.285
198 HA CYS 33 HA CYS 33 -1.675 1.801 -9.544
199 1HB CYS 33 2HB CYS 33 -2.711 2.428 -6.782
200 2HB CYS 33 1HB CYS 33 -3.800 2.299 -8.162
201 H GLU 34 H GLU 34 -0.987 3.653 -10.830
202 HA GLU 34 HA GLU 34 -1.481 6.370 -10.081
203 1HB GLU 34 2HB GLU 34 -1.237 6.897 -12.438
204 2HB GLU 34 1HB GLU 34 -0.056 5.655 -12.020
205 1HG GLU 34 2HG GLU 34 -1.134 4.025 -13.233
206 2HG GLU 34 1HG GLU 34 -2.729 4.725 -12.962
207 H GLN 35 H GLN 35 -3.090 7.075 -12.454
208 HA GLN 35 HA GLN 35 -5.648 7.198 -11.250
209 1HB GLN 35 2HB GLN 35 -6.472 7.839 -13.495
210 2HB GLN 35 1HB GLN 35 -4.971 8.677 -13.100
211 1HG GLN 35 2HG GLN 35 -4.260 6.199 -14.306
212 2HG GLN 35 1HG GLN 35 -5.503 6.938 -15.317
213 1HE2 GLN 35 1HE2 GLN 35 -4.850 8.653 -16.654
214 2HE2 GLN 35 2HE2 GLN 35 -3.340 9.421 -16.560
215 H CYS 36 H CYS 36 -6.187 5.073 -10.515
216 HA CYS 36 HA CYS 36 -6.989 2.876 -10.693
217 1HB CYS 36 2HB CYS 36 -8.230 3.863 -13.269
218 2HB CYS 36 1HB CYS 36 -8.861 2.651 -12.150
219 H LYS 37 H LYS 37 -4.363 3.069 -11.711
220 HA LYS 37 HA LYS 37 -4.420 0.812 -13.576
221 1HB LYS 37 2HB LYS 37 -3.902 3.579 -14.501
222 2HB LYS 37 1HB LYS 37 -2.760 2.360 -15.066
223 1HG LYS 37 2HG LYS 37 -4.715 0.957 -15.795
224 2HG LYS 37 1HG LYS 37 -5.774 2.305 -15.381
225 1HD LYS 37 2HD LYS 37 -4.732 3.730 -17.017
226 2HD LYS 37 1HD LYS 37 -3.462 2.543 -17.319
227 1HE LYS 37 2HE LYS 37 -5.117 2.402 -19.103
228 2HE LYS 37 1HE LYS 37 -5.209 0.944 -18.116
229 1HZ LYS 37 1HZ LYS 37 -7.306 1.404 -17.646
230 2HZ LYS 37 2HZ LYS 37 -7.242 2.757 -18.671
231 3HZ LYS 37 3HZ LYS 37 -6.882 2.921 -17.019
232 H PHE 38 H PHE 38 -2.612 -0.431 -13.280
233 HA PHE 38 HA PHE 38 -0.805 -0.043 -11.179
234 1HB PHE 38 2HB PHE 38 -0.409 -1.479 -13.817
235 2HB PHE 38 1HB PHE 38 0.717 -1.606 -12.466
236 HD1 PHE 38 HD1 PHE 38 -1.621 -1.417 -10.328
237 HD2 PHE 38 HD2 PHE 38 -0.929 -3.856 -13.799
238 HE1 PHE 38 HE1 PHE 38 -3.032 -3.208 -9.356
239 HE2 PHE 38 HE2 PHE 38 -2.338 -5.644 -12.820
240 HZ PHE 38 HZ PHE 38 -3.390 -5.320 -10.600
241 H SER 39 H SER 39 0.759 1.485 -10.871
242 HA SER 39 HA SER 39 1.438 3.431 -12.836
243 1HB SER 39 2HB SER 39 2.268 2.758 -10.129
244 2HB SER 39 1HB SER 39 3.593 3.391 -11.095
245 HG SER 39 HG SER 39 2.709 5.254 -10.719
246 H ARG 40 H ARG 40 4.187 3.617 -13.013
247 HA ARG 40 HA ARG 40 4.784 1.282 -14.707
248 1HB ARG 40 2HB ARG 40 5.394 4.087 -14.826
249 2HB ARG 40 1HB ARG 40 6.871 3.129 -14.936
250 1HG ARG 40 2HG ARG 40 6.067 1.920 -16.823
251 2HG ARG 40 1HG ARG 40 4.417 2.495 -16.581
252 1HD ARG 40 2HD ARG 40 6.558 4.538 -17.002
253 2HD ARG 40 1HD ARG 40 6.012 3.611 -18.401
254 HE ARG 40 HE ARG 40 4.087 5.126 -16.683
255 1HH1 ARG 40 1HH1 ARG 40 3.260 3.313 -19.007
256 2HH1 ARG 40 2HH1 ARG 40 3.009 4.481 -20.261
257 1HH2 ARG 40 1HH2 ARG 40 4.693 7.018 -18.600
258 2HH2 ARG 40 2HH2 ARG 40 3.821 6.579 -20.030
259 H ALA 41 H ALA 41 6.187 -0.229 -14.078
260 HA ALA 41 HA ALA 41 7.287 -0.578 -11.571
261 1HB ALA 41 1HB ALA 41 7.342 -2.182 -13.575
262 2HB ALA 41 2HB ALA 41 8.762 -2.192 -12.528
263 3HB ALA 41 3HB ALA 41 8.810 -1.341 -14.071
264 H GLY 42 H GLY 42 9.673 -0.493 -10.965
265 1HA GLY 42 2HA GLY 42 11.656 0.718 -10.660
266 2HA GLY 42 1HA GLY 42 11.345 1.498 -12.210
267 H LYS 43 H LYS 43 8.795 1.562 -9.868
268 HA LYS 43 HA LYS 43 9.327 4.465 -9.493
269 1HB LYS 43 2HB LYS 43 7.002 4.758 -9.078
270 2HB LYS 43 1HB LYS 43 7.077 3.614 -10.419
271 1HG LYS 43 2HG LYS 43 7.077 1.797 -8.568
272 2HG LYS 43 1HG LYS 43 6.472 3.077 -7.519
273 1HD LYS 43 2HD LYS 43 4.525 2.020 -8.387
274 2HD LYS 43 1HD LYS 43 4.698 3.506 -9.320
275 1HE LYS 43 2HE LYS 43 5.108 2.388 -11.247
276 2HE LYS 43 1HE LYS 43 6.168 1.225 -10.453
277 1HZ LYS 43 1HZ LYS 43 3.979 0.379 -11.399
278 2HZ LYS 43 2HZ LYS 43 3.237 1.153 -10.081
279 3HZ LYS 43 3HZ LYS 43 4.372 -0.084 -9.818
280 H ILE 44 H ILE 44 9.665 5.270 -7.399
281 HA ILE 44 HA ILE 44 10.379 3.302 -5.376
282 HB ILE 44 HB ILE 44 11.642 5.381 -5.587
283 1HG1 ILE 44 2HG1 ILE 44 11.329 6.205 -3.166
284 2HG1 ILE 44 1HG1 ILE 44 10.047 4.997 -3.045
285 1HG2 ILE 44 1HG2 ILE 44 9.642 7.133 -4.403
286 2HG2 ILE 44 2HG2 ILE 44 9.115 6.500 -5.962
287 3HG2 ILE 44 3HG2 ILE 44 10.637 7.381 -5.837
288 1HD1 ILE 44 1HD1 ILE 44 12.649 4.087 -4.173
289 2HD1 ILE 44 2HD1 ILE 44 11.513 3.230 -3.130
290 3HD1 ILE 44 3HD1 ILE 44 12.605 4.432 -2.444
291 H CYS 45 H CYS 45 8.847 2.265 -4.309
292 HA CYS 45 HA CYS 45 6.274 3.563 -3.656
293 1HB CYS 45 2HB CYS 45 5.734 1.280 -2.734
294 2HB CYS 45 1HB CYS 45 6.130 1.290 -4.452
295 H ARG 46 H ARG 46 9.307 2.650 -2.156
296 HA ARG 46 HA ARG 46 8.319 3.881 0.355
297 1HB ARG 46 2HB ARG 46 8.804 1.094 0.013
298 2HB ARG 46 1HB ARG 46 10.080 1.738 1.048
299 1HG ARG 46 2HG ARG 46 8.585 1.587 2.736
300 2HG ARG 46 1HG ARG 46 7.799 2.988 2.009
301 1HD ARG 46 2HD ARG 46 6.555 1.306 0.514
302 2HD ARG 46 1HD ARG 46 7.122 0.068 1.635
303 HE ARG 46 HE ARG 46 5.794 2.310 2.956
304 1HH1 ARG 46 1HH2 ARG 46 5.330 -0.598 1.161
305 2HH1 ARG 46 2HH2 ARG 46 3.895 -1.052 2.018
306 1HH2 ARG 46 1HH1 ARG 46 3.987 1.672 4.157
307 2HH2 ARG 46 2HH1 ARG 46 3.137 0.231 3.713
308 H ILE 47 H ILE 47 10.666 3.349 1.842
309 HA ILE 47 HA ILE 47 12.884 4.473 0.237
310 HB ILE 47 HB ILE 47 11.654 6.441 1.052
311 1HG1 ILE 47 2HG1 ILE 47 14.197 5.933 2.628
312 2HG1 ILE 47 1HG1 ILE 47 14.126 6.529 0.969
313 1HG2 ILE 47 1HG2 ILE 47 12.223 6.092 3.879
314 2HG2 ILE 47 2HG2 ILE 47 11.170 4.808 3.280
315 3HG2 ILE 47 3HG2 ILE 47 10.698 6.498 3.091
316 1HD1 ILE 47 1HD1 ILE 47 12.696 8.440 1.836
317 2HD1 ILE 47 2HD1 ILE 47 14.376 8.458 2.373
318 3HD1 ILE 47 3HD1 ILE 47 13.107 7.902 3.464
319 H ALA 48 H ALA 48 14.928 4.473 1.553
320 HA ALA 48 HA ALA 48 14.816 2.436 3.704
321 1HB ALA 48 1HB ALA 48 15.793 1.321 1.842
322 2HB ALA 48 2HB ALA 48 17.159 1.791 2.849
323 3HB ALA 48 3HB ALA 48 16.760 2.730 1.409
324 H ARG 49 H ARG 49 17.114 2.551 4.931
325 HA ARG 49 HA ARG 49 17.232 5.026 6.313
326 1HB ARG 49 2HB ARG 49 19.168 2.778 6.052
327 2HB ARG 49 1HB ARG 49 19.478 4.149 7.108
328 1HG ARG 49 2HG ARG 49 16.979 2.437 7.249
329 2HG ARG 49 1HG ARG 49 18.390 2.202 8.281
330 1HD ARG 49 2HD ARG 49 17.620 4.988 8.275
331 2HD ARG 49 1HD ARG 49 16.243 3.979 8.720
332 HE ARG 49 HE ARG 49 18.769 4.228 10.238
333 1HH1 ARG 49 1HH2 ARG 49 17.082 1.518 9.691
334 2HH1 ARG 49 2HH2 ARG 49 16.397 1.344 11.272
335 1HH2 ARG 49 1HH1 ARG 49 17.305 4.530 12.301
336 2HH2 ARG 49 2HH1 ARG 49 16.523 3.052 12.751
337 H GLY 50 H GLY 50 20.235 3.946 4.920
338 1HA GLY 50 2HA GLY 50 20.383 6.199 3.073
339 2HA GLY 50 1HA GLY 50 21.502 6.270 4.430
340 H ASP 51 H ASP 51 21.095 5.135 1.293
341 HA ASP 51 HA ASP 51 22.683 4.032 -0.067
342 1HB ASP 51 2HB ASP 51 24.153 4.521 2.251
343 2HB ASP 51 1HB ASP 51 24.287 2.785 1.974
344 H TRP 52 H TRP 52 21.455 2.403 -0.841
345 HA TRP 52 HA TRP 52 21.893 -0.275 -0.291
346 1HB TRP 52 2HB TRP 52 19.453 -0.632 0.836
347 2HB TRP 52 1HB TRP 52 20.939 -0.526 1.764
348 HD1 TRP 52 HD1 TRP 52 20.040 0.626 3.852
349 HE1 TRP 52 HE1 TRP 52 19.016 2.920 4.323
350 HE3 TRP 52 HE3 TRP 52 19.209 2.287 -0.909
351 HZ2 TRP 52 HZ2 TRP 52 17.997 5.172 2.892
352 HZ3 TRP 52 HZ3 TRP 52 18.219 4.510 -1.308
353 HH2 TRP 52 HH2 TRP 52 17.616 5.947 0.622
354 H ASN 53 H ASN 53 19.351 -1.443 -0.732
355 HA ASN 53 HA ASN 53 18.764 -0.338 -3.432
356 1HB ASN 53 2HB ASN 53 18.898 -3.016 -2.267
357 2HB ASN 53 1HB ASN 53 17.408 -2.749 -3.172
358 1HD2 ASN 53 1HD2 ASN 53 17.584 -2.351 -5.486
359 2HD2 ASN 53 2HD2 ASN 53 19.035 -2.603 -6.327
360 H ASP 54 H ASP 54 17.180 1.230 -3.087
361 HA ASP 54 HA ASP 54 15.092 1.098 -1.144
362 1HB ASP 54 2HB ASP 54 15.881 2.838 -3.267
363 2HB ASP 54 1HB ASP 54 14.156 2.513 -3.425
364 H ASP 55 H ASP 55 12.679 1.037 -1.895
365 HA ASP 55 HA ASP 55 12.329 -1.489 -3.407
366 1HB ASP 55 2HB ASP 55 10.107 -0.031 -2.056
367 2HB ASP 55 1HB ASP 55 10.304 -1.761 -2.296
368 H ARG 56 H ARG 56 11.362 -1.532 -5.410
369 HA ARG 56 HA ARG 56 10.102 0.993 -6.360
370 1HB ARG 56 2HB ARG 56 11.956 -0.777 -7.922
371 2HB ARG 56 1HB ARG 56 11.124 0.631 -8.567
372 1HG ARG 56 2HG ARG 56 12.385 1.518 -6.215
373 2HG ARG 56 1HG ARG 56 13.579 0.508 -7.032
374 1HD ARG 56 2HD ARG 56 13.164 1.788 -9.136
375 2HD ARG 56 1HD ARG 56 12.071 2.844 -8.243
376 HE ARG 56 HE ARG 56 14.162 3.316 -6.774
377 1HH1 ARG 56 1HH1 ARG 56 13.930 4.732 -9.494
378 2HH1 ARG 56 2HH1 ARG 56 15.543 4.535 -10.095
379 1HH2 ARG 56 1HH2 ARG 56 16.380 2.068 -7.808
380 2HH2 ARG 56 2HH2 ARG 56 16.929 3.027 -9.141
381 H CYS 57 H CYS 57 7.953 0.492 -6.706
382 HA CYS 57 HA CYS 57 6.882 -2.088 -6.950
383 1HB CYS 57 2HB CYS 57 5.909 0.539 -8.077
384 2HB CYS 57 1HB CYS 57 5.022 -0.956 -8.323
385 H THR 58 H THR 58 6.300 -3.372 -8.756
386 HA THR 58 HA THR 58 8.141 -3.094 -11.036
387 HB THR 58 HB THR 58 7.524 -5.342 -11.593
388 HG1 THR 58 HG1 THR 58 5.762 -6.315 -10.393
389 1HG2 THR 58 1HG2 THR 58 7.793 -6.514 -9.387
390 2HG2 THR 58 2HG2 THR 58 7.600 -4.953 -8.590
391 3HG2 THR 58 3HG2 THR 58 8.975 -5.233 -9.657
392 H GLY 59 H GLY 59 6.345 -4.465 -12.901
393 1HA GLY 59 1HA GLY 59 4.606 -2.130 -13.573
394 2HA GLY 59 2HA GLY 59 5.281 -3.247 -14.760
395 H GLN 60 H GLN 60 4.250 -4.892 -11.991
396 HA GLN 60 HA GLN 60 1.518 -5.325 -13.089
397 1HB GLN 60 2HB GLN 60 3.610 -7.449 -12.577
398 2HB GLN 60 1HB GLN 60 1.890 -7.818 -12.709
399 1HG GLN 60 2HG GLN 60 2.457 -6.155 -14.905
400 2HG GLN 60 1HG GLN 60 3.806 -7.289 -14.819
401 1HE2 GLN 60 1HE2 GLN 60 0.518 -6.949 -15.780
402 2HE2 GLN 60 2HE2 GLN 60 0.204 -8.587 -16.089
403 H SER 61 H SER 61 3.299 -4.494 -10.458
404 HA SER 61 HA SER 61 1.428 -5.879 -8.575
405 1HB SER 61 2HB SER 61 4.244 -5.654 -8.530
406 2HB SER 61 1HB SER 61 3.646 -4.618 -7.238
407 HG SER 61 HG SER 61 2.954 -6.324 -6.200
408 H ALA 62 H ALA 62 -0.053 -4.587 -7.583
409 HA ALA 62 HA ALA 62 0.182 -1.660 -7.890
410 1HB ALA 62 1HB ALA 62 -1.986 -3.588 -7.274
411 2HB ALA 62 2HB ALA 62 -2.029 -2.116 -8.243
412 3HB ALA 62 3HB ALA 62 -2.113 -2.016 -6.485
413 H ASP 63 H ASP 63 1.186 -3.930 -5.648
414 HA ASP 63 HA ASP 63 0.982 -1.947 -3.420
415 1HB ASP 63 2HB ASP 63 1.467 -4.896 -3.136
416 2HB ASP 63 1HB ASP 63 1.046 -3.755 -1.865
417 H CYS 64 H CYS 64 2.917 -2.488 -1.769
418 HA CYS 64 HA CYS 64 5.392 -2.819 -3.403
419 1HB CYS 64 2HB CYS 64 5.168 -0.453 -3.058
420 2HB CYS 64 1HB CYS 64 4.784 -0.676 -1.353
421 HA PRO 65 HA PRO 65 6.261 -5.668 -0.156
422 1HB PRO 65 2HB PRO 65 8.611 -6.513 -1.275
423 2HB PRO 65 1HB PRO 65 7.031 -7.090 -1.803
424 1HG PRO 65 2HG PRO 65 8.909 -5.213 -3.140
425 2HG PRO 65 1HG PRO 65 7.644 -6.231 -3.850
426 1HD PRO 65 2HD PRO 65 7.469 -3.448 -3.352
427 2HD PRO 65 1HD PRO 65 6.127 -4.527 -3.788
428 H ARG 66 H ARG 66 9.010 -6.155 0.502
429 HA ARG 66 HA ARG 66 9.980 -3.479 1.319
430 1HB ARG 66 2HB ARG 66 9.903 -5.909 3.123
431 2HB ARG 66 1HB ARG 66 10.449 -4.290 3.563
432 1HG ARG 66 2HG ARG 66 8.172 -3.416 3.068
433 2HG ARG 66 1HG ARG 66 7.638 -5.062 2.728
434 1HD ARG 66 2HD ARG 66 7.434 -5.546 4.924
435 2HD ARG 66 1HD ARG 66 9.026 -4.877 5.287
436 HE ARG 66 HE ARG 66 6.494 -3.503 5.628
437 1HH1 ARG 66 1HH1 ARG 66 9.540 -3.317 6.676
438 2HH1 ARG 66 2HH1 ARG 66 9.777 -1.620 6.427
439 1HH2 ARG 66 1HH2 ARG 66 6.914 -1.233 4.508
440 2HH2 ARG 66 2HH2 ARG 66 8.290 -0.439 5.200
441 H TYR 67 H TYR 67 12.273 -3.358 1.601
442 HA TYR 67 HA TYR 67 13.962 -5.674 1.243
443 1HB TYR 67 2HB TYR 67 12.953 -4.739 -1.110
444 2HB TYR 67 1HB TYR 67 14.432 -3.794 -0.963
445 HD1 TYR 67 HD1 TYR 67 13.295 -7.321 -0.382
446 HD2 TYR 67 HD2 TYR 67 16.367 -4.712 -1.862
447 HE1 TYR 67 HE1 TYR 67 14.629 -9.292 -1.079
448 HE2 TYR 67 HE2 TYR 67 17.704 -6.681 -2.560
449 HH TYR 67 HH TYR 67 16.679 -9.495 -3.112
450 H HIS 68 HN HIS 68 13.946 -3.811 3.255
451 HA HIS 68 HA HIS 68 16.485 -2.329 2.724
452 1HB HIS 68 2HB HIS 68 15.575 -0.547 4.294
453 2HB HIS 68 1HB HIS 68 14.784 -0.634 2.721
454 HD1 HIS 68 HD1 HIS 68 14.294 -2.145 6.197
455 HD2 HIS 68 HD2 HIS 68 12.043 -0.826 2.945
456 HE1 HIS 68 HE1 HIS 68 11.863 -2.372 6.869
Start of MODEL 19
1 1H GLY 1 1HT GLY 1 -12.123 -16.410 -2.279
2 2H GLY 1 2HT GLY 1 -13.694 -15.768 -2.345
3 3H GLY 1 3HT GLY 1 -13.291 -16.915 -1.157
4 1HA GLY 1 1HA GLY 1 -12.929 -15.201 0.195
5 2HA GLY 1 2HA GLY 1 -11.455 -14.962 -0.744
6 H LYS 2 H LYS 2 -11.557 -12.663 -0.543
7 HA LYS 2 HA LYS 2 -13.411 -11.409 -2.467
8 1HB LYS 2 2HB LYS 2 -14.017 -9.632 -0.768
9 2HB LYS 2 1HB LYS 2 -14.722 -11.218 -0.449
10 1HG LYS 2 2HG LYS 2 -12.354 -11.448 0.876
11 2HG LYS 2 1HG LYS 2 -12.676 -9.723 1.078
12 1HD LYS 2 2HD LYS 2 -14.950 -11.604 1.525
13 2HD LYS 2 1HD LYS 2 -13.689 -11.551 2.757
14 1HE LYS 2 2HE LYS 2 -15.269 -9.183 1.713
15 2HE LYS 2 1HE LYS 2 -15.437 -9.928 3.301
16 1HZ LYS 2 1HZ LYS 2 -13.366 -8.158 2.292
17 2HZ LYS 2 2HZ LYS 2 -12.832 -9.436 3.275
18 3HZ LYS 2 3HZ LYS 2 -13.978 -8.330 3.864
19 H GLU 3 H GLU 3 -12.509 -9.555 -3.388
20 HA GLU 3 HA GLU 3 -9.772 -8.859 -2.437
21 1HB GLU 3 2HB GLU 3 -10.918 -9.293 -5.086
22 2HB GLU 3 1HB GLU 3 -9.943 -7.831 -4.966
23 1HG GLU 3 2HG GLU 3 -8.244 -9.400 -3.727
24 2HG GLU 3 1HG GLU 3 -9.127 -10.691 -4.540
25 H CYS 4 H CYS 4 -9.173 -6.499 -3.105
26 HA CYS 4 HA CYS 4 -11.455 -4.708 -3.117
27 1HB CYS 4 2HB CYS 4 -11.299 -5.123 -0.749
28 2HB CYS 4 1HB CYS 4 -9.603 -4.734 -0.785
29 H ASP 5 H ASP 5 -9.995 -4.600 -5.188
30 HA ASP 5 HA ASP 5 -7.460 -3.493 -5.347
31 1HB ASP 5 2HB ASP 5 -9.372 -3.967 -7.184
32 2HB ASP 5 1HB ASP 5 -9.485 -2.208 -7.102
33 H CYS 6 H CYS 6 -10.459 -1.816 -4.543
34 HA CYS 6 HA CYS 6 -8.872 0.403 -3.427
35 1HB CYS 6 2HB CYS 6 -9.156 1.625 -5.309
36 2HB CYS 6 1HB CYS 6 -10.364 0.520 -5.925
37 H SER 7 H SER 7 -9.884 1.287 -1.628
38 HA SER 7 HA SER 7 -12.535 0.108 -0.927
39 1HB SER 7 2HB SER 7 -11.729 1.157 1.400
40 2HB SER 7 1HB SER 7 -11.203 -0.438 0.871
41 HG SER 7 HG SER 7 -9.270 0.364 0.329
42 H SER 8 H SER 8 -11.305 2.887 -2.221
43 HA SER 8 HA SER 8 -12.819 4.834 -0.663
44 1HB SER 8 2HB SER 8 -10.833 4.885 -2.717
45 2HB SER 8 1HB SER 8 -12.205 5.855 -3.236
46 HG SER 8 HG SER 8 -10.406 6.729 -1.738
47 HA PRO 9 HA PRO 9 -16.520 3.733 -2.973
48 1HB PRO 9 2HB PRO 9 -18.231 5.106 -1.314
49 2HB PRO 9 1HB PRO 9 -17.615 3.483 -0.957
50 1HG PRO 9 2HG PRO 9 -16.830 6.096 0.249
51 2HG PRO 9 1HG PRO 9 -16.752 4.471 0.945
52 1HD PRO 9 2HD PRO 9 -14.571 5.919 -0.127
53 2HD PRO 9 1HD PRO 9 -14.582 4.188 0.262
54 H GLU 10 H GLU 10 -14.909 6.645 -2.628
55 HA GLU 10 HA GLU 10 -16.958 8.179 -4.163
56 1HB GLU 10 2HB GLU 10 -15.176 8.890 -2.060
57 2HB GLU 10 1HB GLU 10 -14.623 9.729 -3.510
58 1HG GLU 10 2HG GLU 10 -17.026 10.456 -3.878
59 2HG GLU 10 1HG GLU 10 -17.381 9.827 -2.268
60 H ASN 11 H ASN 11 -14.460 6.155 -4.722
61 HA ASN 11 HA ASN 11 -13.236 7.690 -6.908
62 1HB ASN 11 2HB ASN 11 -12.307 5.764 -5.088
63 2HB ASN 11 1HB ASN 11 -12.337 4.950 -6.648
64 1HD2 ASN 11 1HD2 ASN 11 -9.893 5.679 -5.257
65 2HD2 ASN 11 2HD2 ASN 11 -9.086 6.826 -6.211
66 HA PRO 12 HA PRO 12 -15.950 5.570 -9.738
67 1HB PRO 12 2HB PRO 12 -14.815 6.590 -12.028
68 2HB PRO 12 1HB PRO 12 -15.938 7.503 -11.006
69 1HG PRO 12 2HG PRO 12 -12.981 7.787 -11.266
70 2HG PRO 12 1HG PRO 12 -14.187 8.997 -10.798
71 1HD PRO 12 2HD PRO 12 -12.475 7.597 -9.033
72 2HD PRO 12 1HD PRO 12 -13.902 8.547 -8.567
73 H CYS 13 H CYS 13 -12.459 5.486 -9.800
74 HA CYS 13 HA CYS 13 -11.948 3.528 -11.776
75 1HB CYS 13 2HB CYS 13 -10.572 4.076 -9.145
76 2HB CYS 13 1HB CYS 13 -9.939 2.977 -10.366
77 H CYS 14 H CYS 14 -12.762 3.052 -8.326
78 HA CYS 14 HA CYS 14 -13.075 0.167 -9.013
79 1HB CYS 14 2HB CYS 14 -12.430 -0.358 -6.802
80 2HB CYS 14 1HB CYS 14 -11.385 0.984 -7.258
81 H ASP 15 H ASP 15 -14.374 -0.899 -7.186
82 HA ASP 15 HA ASP 15 -17.080 0.343 -7.105
83 1HB ASP 15 2HB ASP 15 -16.233 -2.016 -8.357
84 2HB ASP 15 1HB ASP 15 -16.980 -2.537 -6.863
85 H ALA 16 H ALA 16 -17.375 0.956 -5.002
86 HA ALA 16 HA ALA 16 -15.954 -0.240 -2.801
87 1HB ALA 16 1HB ALA 16 -17.841 1.967 -3.211
88 2HB ALA 16 2HB ALA 16 -16.494 1.835 -2.080
89 3HB ALA 16 3HB ALA 16 -18.061 1.139 -1.670
90 H ALA 17 H ALA 17 -19.090 -0.803 -4.283
91 HA ALA 17 HA ALA 17 -20.350 -2.171 -2.126
92 1HB ALA 17 1HB ALA 17 -21.095 -3.526 -4.481
93 2HB ALA 17 2HB ALA 17 -20.782 -1.863 -4.979
94 3HB ALA 17 3HB ALA 17 -21.958 -2.196 -3.708
95 H THR 18 H THR 18 -17.682 -3.006 -4.121
96 HA THR 18 HA THR 18 -17.630 -5.714 -2.861
97 HB THR 18 HB THR 18 -16.777 -6.675 -4.911
98 HG1 THR 18 HG1 THR 18 -15.968 -5.472 -6.430
99 1HG2 THR 18 1HG2 THR 18 -18.750 -5.573 -6.488
100 2HG2 THR 18 2HG2 THR 18 -19.323 -5.213 -4.860
101 3HG2 THR 18 3HG2 THR 18 -18.993 -6.881 -5.330
102 H CYS 19 H CYS 19 -16.127 -2.749 -3.167
103 HA CYS 19 HA CYS 19 -13.991 -2.043 -2.401
104 1HB CYS 19 2HB CYS 19 -14.473 -4.400 -1.062
105 2HB CYS 19 1HB CYS 19 -12.914 -4.664 -1.835
106 H LYS 20 H LYS 20 -14.501 -4.115 -5.007
107 HA LYS 20 HA LYS 20 -11.607 -3.945 -5.753
108 1HB LYS 20 2HB LYS 20 -13.716 -5.833 -6.839
109 2HB LYS 20 1HB LYS 20 -11.995 -5.855 -7.229
110 1HG LYS 20 2HG LYS 20 -11.609 -7.157 -5.432
111 2HG LYS 20 1HG LYS 20 -12.235 -5.881 -4.389
112 1HD LYS 20 2HD LYS 20 -13.709 -7.604 -3.881
113 2HD LYS 20 1HD LYS 20 -14.580 -6.811 -5.193
114 1HE LYS 20 2HE LYS 20 -12.632 -8.807 -6.122
115 2HE LYS 20 1HE LYS 20 -13.920 -9.490 -5.129
116 1HZ LYS 20 1HZ LYS 20 -15.037 -9.473 -7.059
117 2HZ LYS 20 2HZ LYS 20 -14.050 -8.282 -7.760
118 3HZ LYS 20 3HZ LYS 20 -15.302 -7.837 -6.700
119 H LEU 21 H LEU 21 -11.058 -3.189 -7.846
120 HA LEU 21 HA LEU 21 -13.228 -1.566 -8.986
121 1HB LEU 21 2HB LEU 21 -11.595 -0.205 -10.045
122 2HB LEU 21 1HB LEU 21 -11.078 -0.443 -8.404
123 HG LEU 21 HG LEU 21 -9.106 -1.199 -9.103
124 1HD1 LEU 21 1HD1 LEU 21 -10.386 -3.429 -9.537
125 2HD1 LEU 21 2HD1 LEU 21 -8.790 -3.206 -10.249
126 3HD1 LEU 21 3HD1 LEU 21 -10.235 -2.980 -11.235
127 1HD2 LEU 21 1HD2 LEU 21 -9.217 0.454 -10.770
128 2HD2 LEU 21 2HD2 LEU 21 -10.357 -0.480 -11.738
129 3HD2 LEU 21 3HD2 LEU 21 -8.676 -0.994 -11.620
130 H ARG 22 H ARG 22 -12.735 -1.136 -11.450
131 HA ARG 22 HA ARG 22 -11.820 -2.944 -13.207
132 1HB ARG 22 2HB ARG 22 -12.911 -4.845 -12.363
133 2HB ARG 22 1HB ARG 22 -14.395 -3.962 -12.033
134 1HG ARG 22 2HG ARG 22 -13.408 -4.223 -14.862
135 2HG ARG 22 1HG ARG 22 -14.293 -5.552 -14.113
136 1HD ARG 22 2HD ARG 22 -15.868 -3.430 -13.424
137 2HD ARG 22 1HD ARG 22 -15.263 -2.903 -14.995
138 HE ARG 22 HE ARG 22 -16.446 -4.707 -16.017
139 1HH1 ARG 22 1HH1 ARG 22 -17.785 -4.009 -13.110
140 2HH1 ARG 22 2HH1 ARG 22 -18.428 -5.584 -12.785
141 1HH2 ARG 22 1HH2 ARG 22 -16.715 -7.112 -15.382
142 2HH2 ARG 22 2HH2 ARG 22 -17.822 -7.340 -14.071
143 HA PRO 23 HA PRO 23 -15.396 -0.567 -15.158
144 1HB PRO 23 2HB PRO 23 -17.107 0.809 -13.512
145 2HB PRO 23 1HB PRO 23 -17.384 -0.867 -14.017
146 1HG PRO 23 2HG PRO 23 -16.501 0.168 -11.372
147 2HG PRO 23 1HG PRO 23 -17.315 -1.355 -11.766
148 1HD PRO 23 2HD PRO 23 -14.540 -1.008 -11.224
149 2HD PRO 23 1HD PRO 23 -15.328 -2.473 -11.837
150 H GLY 24 H GLY 24 -12.892 0.429 -14.584
151 1HA GLY 24 2HA GLY 24 -13.220 3.238 -14.957
152 2HA GLY 24 1HA GLY 24 -12.769 2.932 -13.284
153 H ALA 25 H ALA 25 -10.980 0.749 -13.655
154 HA ALA 25 HA ALA 25 -9.046 1.374 -15.704
155 1HB ALA 25 1HB ALA 25 -8.407 3.214 -14.601
156 2HB ALA 25 2HB ALA 25 -7.343 2.044 -13.847
157 3HB ALA 25 3HB ALA 25 -8.801 2.574 -13.016
158 H GLN 26 H GLN 26 -6.729 0.584 -14.727
159 HA GLN 26 HA GLN 26 -7.003 -2.249 -14.234
160 1HB GLN 26 2HB GLN 26 -4.944 -0.438 -15.014
161 2HB GLN 26 1HB GLN 26 -4.378 -1.312 -13.593
162 1HG GLN 26 2HG GLN 26 -4.623 -3.414 -14.645
163 2HG GLN 26 1HG GLN 26 -5.676 -2.757 -15.898
164 1HE2 GLN 26 1HE2 GLN 26 -3.277 -4.244 -16.518
165 2HE2 GLN 26 2HE2 GLN 26 -2.186 -3.184 -17.272
166 H CYS 27 H CYS 27 -6.782 0.613 -12.342
167 HA CYS 27 HA CYS 27 -7.307 -0.779 -9.882
168 1HB CYS 27 2HB CYS 27 -5.175 -1.202 -9.268
169 2HB CYS 27 1HB CYS 27 -4.541 -0.253 -10.595
170 H GLY 28 H GLY 28 -7.891 0.778 -8.194
171 1HA GLY 28 2HA GLY 28 -8.327 3.499 -9.345
172 2HA GLY 28 1HA GLY 28 -9.426 2.730 -8.207
173 H GLU 29 H GLU 29 -6.514 1.897 -6.988
174 HA GLU 29 HA GLU 29 -5.572 4.379 -5.886
175 1HB GLU 29 2HB GLU 29 -6.529 4.380 -3.716
176 2HB GLU 29 1HB GLU 29 -7.882 4.090 -4.809
177 1HG GLU 29 2HG GLU 29 -8.316 2.324 -3.447
178 2HG GLU 29 1HG GLU 29 -7.018 1.535 -4.341
179 H GLY 30 H GLY 30 -3.573 4.043 -5.093
180 1HA GLY 30 2HA GLY 30 -2.712 1.863 -3.500
181 2HA GLY 30 1HA GLY 30 -2.307 1.496 -5.177
182 H LEU 31 H LEU 31 -0.241 1.913 -3.298
183 HA LEU 31 HA LEU 31 0.672 4.608 -3.148
184 1HB LEU 31 2HB LEU 31 1.686 2.079 -2.407
185 2HB LEU 31 1HB LEU 31 2.904 2.846 -3.414
186 HG LEU 31 HG LEU 31 1.626 3.968 -0.915
187 1HD1 LEU 31 1HD1 LEU 31 4.549 3.985 -1.306
188 2HD1 LEU 31 2HD1 LEU 31 3.835 2.375 -1.220
189 3HD1 LEU 31 3HD1 LEU 31 3.604 3.515 0.106
190 1HD2 LEU 31 1HD2 LEU 31 1.776 5.929 -2.115
191 2HD2 LEU 31 2HD2 LEU 31 3.002 5.287 -3.208
192 3HD2 LEU 31 3HD2 LEU 31 3.458 5.826 -1.592
193 H CYS 32 H CYS 32 0.975 2.171 -5.656
194 HA CYS 32 HA CYS 32 2.245 4.240 -7.383
195 1HB CYS 32 2HB CYS 32 2.586 1.258 -7.727
196 2HB CYS 32 1HB CYS 32 3.509 2.552 -8.491
197 H CYS 33 H CYS 33 -0.194 4.678 -7.646
198 HA CYS 33 HA CYS 33 -1.085 3.158 -10.041
199 1HB CYS 33 2HB CYS 33 -2.344 3.030 -7.444
200 2HB CYS 33 1HB CYS 33 -3.448 3.750 -8.617
201 H GLU 34 H GLU 34 -1.386 4.645 -11.608
202 HA GLU 34 HA GLU 34 -1.625 7.471 -11.002
203 1HB GLU 34 2HB GLU 34 -0.789 6.048 -13.187
204 2HB GLU 34 1HB GLU 34 -2.377 6.611 -13.698
205 1HG GLU 34 2HG GLU 34 -1.810 8.896 -13.313
206 2HG GLU 34 1HG GLU 34 -0.335 8.450 -12.452
207 H GLN 35 H GLN 35 -3.489 8.577 -12.539
208 HA GLN 35 HA GLN 35 -5.930 8.153 -11.153
209 1HB GLN 35 2HB GLN 35 -5.292 9.507 -13.779
210 2HB GLN 35 1HB GLN 35 -6.927 9.465 -13.119
211 1HG GLN 35 2HG GLN 35 -6.160 10.560 -11.067
212 2HG GLN 35 1HG GLN 35 -4.500 10.548 -11.663
213 1HE2 GLN 35 1HE2 GLN 35 -4.027 11.908 -13.604
214 2HE2 GLN 35 2HE2 GLN 35 -5.015 13.244 -13.953
215 H CYS 36 H CYS 36 -6.379 5.890 -11.250
216 HA CYS 36 HA CYS 36 -7.559 4.061 -12.129
217 1HB CYS 36 2HB CYS 36 -8.352 6.287 -13.801
218 2HB CYS 36 1HB CYS 36 -8.284 4.824 -14.728
219 H LYS 37 H LYS 37 -4.793 3.946 -12.346
220 HA LYS 37 HA LYS 37 -4.510 2.235 -14.708
221 1HB LYS 37 2HB LYS 37 -2.852 4.777 -14.471
222 2HB LYS 37 1HB LYS 37 -2.512 3.466 -15.597
223 1HG LYS 37 2HG LYS 37 -5.066 5.103 -15.529
224 2HG LYS 37 1HG LYS 37 -3.760 5.294 -16.693
225 1HD LYS 37 2HD LYS 37 -5.275 2.697 -16.308
226 2HD LYS 37 1HD LYS 37 -5.683 3.895 -17.534
227 1HE LYS 37 2HE LYS 37 -2.878 2.818 -17.312
228 2HE LYS 37 1HE LYS 37 -4.114 1.940 -18.213
229 1HZ LYS 37 1HZ LYS 37 -2.668 4.262 -18.962
230 2HZ LYS 37 2HZ LYS 37 -4.338 4.570 -19.001
231 3HZ LYS 37 3HZ LYS 37 -3.686 3.285 -19.903
232 H PHE 38 H PHE 38 -2.553 0.949 -14.613
233 HA PHE 38 HA PHE 38 -1.562 0.610 -11.860
234 1HB PHE 38 2HB PHE 38 -1.432 -0.948 -14.402
235 2HB PHE 38 1HB PHE 38 -0.111 -1.175 -13.261
236 HD1 PHE 38 HD1 PHE 38 -2.577 -3.013 -14.209
237 HD2 PHE 38 HD2 PHE 38 -1.639 -0.762 -10.672
238 HE1 PHE 38 HE1 PHE 38 -4.004 -4.529 -12.867
239 HE2 PHE 38 HE2 PHE 38 -3.069 -2.277 -9.332
240 HZ PHE 38 HZ PHE 38 -4.251 -4.161 -10.428
241 H SER 39 H SER 39 0.143 1.852 -11.202
242 HA SER 39 HA SER 39 1.766 3.488 -12.782
243 1HB SER 39 2HB SER 39 3.403 3.416 -10.942
244 2HB SER 39 1HB SER 39 1.766 3.507 -10.298
245 HG SER 39 HG SER 39 2.017 1.044 -10.428
246 H ARG 40 H ARG 40 4.113 3.144 -13.358
247 HA ARG 40 HA ARG 40 4.400 0.566 -14.696
248 1HB ARG 40 2HB ARG 40 5.609 3.219 -14.906
249 2HB ARG 40 1HB ARG 40 6.756 1.901 -15.130
250 1HG ARG 40 2HG ARG 40 4.632 1.014 -16.607
251 2HG ARG 40 1HG ARG 40 4.507 2.756 -16.845
252 1HD ARG 40 2HD ARG 40 7.248 2.181 -17.070
253 2HD ARG 40 1HD ARG 40 6.430 0.898 -17.963
254 HE ARG 40 HE ARG 40 5.276 2.729 -19.255
255 1HH1 ARG 40 1HH1 ARG 40 6.308 4.892 -17.328
256 2HH1 ARG 40 2HH1 ARG 40 7.550 5.617 -18.295
257 1HH2 ARG 40 1HH2 ARG 40 7.666 3.004 -20.573
258 2HH2 ARG 40 2HH2 ARG 40 8.319 4.547 -20.133
259 H ALA 41 H ALA 41 5.680 -1.086 -13.953
260 HA ALA 41 HA ALA 41 6.538 -1.375 -11.345
261 1HB ALA 41 1HB ALA 41 6.730 -2.924 -13.586
262 2HB ALA 41 2HB ALA 41 7.503 -3.321 -12.052
263 3HB ALA 41 3HB ALA 41 8.425 -2.515 -13.321
264 H GLY 42 H GLY 42 8.881 -1.451 -10.542
265 1HA GLY 42 2HA GLY 42 10.968 -0.416 -10.220
266 2HA GLY 42 1HA GLY 42 10.776 0.344 -11.796
267 H LYS 43 H LYS 43 8.109 0.705 -9.657
268 HA LYS 43 HA LYS 43 8.690 3.579 -9.438
269 1HB LYS 43 2HB LYS 43 6.438 3.214 -10.015
270 2HB LYS 43 1HB LYS 43 6.277 1.866 -8.894
271 1HG LYS 43 2HG LYS 43 5.111 3.796 -7.967
272 2HG LYS 43 1HG LYS 43 6.541 3.476 -6.995
273 1HD LYS 43 2HD LYS 43 7.020 5.671 -7.317
274 2HD LYS 43 1HD LYS 43 7.540 5.162 -8.923
275 1HE LYS 43 2HE LYS 43 4.909 5.399 -9.405
276 2HE LYS 43 1HE LYS 43 5.049 6.572 -8.095
277 1HZ LYS 43 1HZ LYS 43 7.096 6.682 -10.160
278 2HZ LYS 43 2HZ LYS 43 6.321 7.943 -9.326
279 3HZ LYS 43 3HZ LYS 43 5.540 7.173 -10.623
280 H ILE 44 H ILE 44 9.581 4.456 -7.615
281 HA ILE 44 HA ILE 44 10.197 2.731 -5.348
282 HB ILE 44 HB ILE 44 11.777 4.466 -6.024
283 1HG1 ILE 44 2HG1 ILE 44 11.995 5.650 -3.803
284 2HG1 ILE 44 1HG1 ILE 44 10.441 4.953 -3.345
285 1HG2 ILE 44 1HG2 ILE 44 9.676 5.979 -6.658
286 2HG2 ILE 44 2HG2 ILE 44 11.235 6.695 -6.252
287 3HG2 ILE 44 3HG2 ILE 44 9.956 6.614 -5.040
288 1HD1 ILE 44 1HD1 ILE 44 11.447 2.677 -3.909
289 2HD1 ILE 44 2HD1 ILE 44 12.099 3.471 -2.477
290 3HD1 ILE 44 3HD1 ILE 44 13.009 3.493 -3.986
291 H CYS 45 H CYS 45 8.240 2.132 -4.415
292 HA CYS 45 HA CYS 45 6.211 4.089 -3.628
293 1HB CYS 45 2HB CYS 45 5.219 2.095 -2.462
294 2HB CYS 45 1HB CYS 45 5.513 1.837 -4.178
295 H ARG 46 H ARG 46 8.999 2.554 -2.185
296 HA ARG 46 HA ARG 46 8.587 4.219 0.241
297 1HB ARG 46 2HB ARG 46 8.129 1.398 0.137
298 2HB ARG 46 1HB ARG 46 9.575 1.684 1.105
299 1HG ARG 46 2HG ARG 46 7.730 3.677 1.871
300 2HG ARG 46 1HG ARG 46 6.810 2.172 1.790
301 1HD ARG 46 2HD ARG 46 7.762 1.442 3.691
302 2HD ARG 46 1HD ARG 46 9.371 1.662 3.004
303 HE ARG 46 HE ARG 46 9.471 3.406 4.596
304 1HH1 ARG 46 1HH2 ARG 46 6.195 2.949 4.104
305 2HH1 ARG 46 2HH2 ARG 46 5.756 4.619 4.237
306 1HH2 ARG 46 1HH1 ARG 46 9.031 5.753 4.267
307 2HH2 ARG 46 2HH1 ARG 46 7.360 6.206 4.329
308 H ILE 47 H ILE 47 10.471 5.175 0.811
309 HA ILE 47 HA ILE 47 12.978 4.229 -0.463
310 HB ILE 47 HB ILE 47 12.657 6.576 -0.722
311 1HG1 ILE 47 2HG1 ILE 47 14.499 7.555 0.592
312 2HG1 ILE 47 1HG1 ILE 47 14.460 6.174 1.689
313 1HG2 ILE 47 1HG2 ILE 47 12.364 7.945 1.500
314 2HG2 ILE 47 2HG2 ILE 47 11.767 6.416 2.144
315 3HG2 ILE 47 3HG2 ILE 47 10.960 7.169 0.769
316 1HD1 ILE 47 1HD1 ILE 47 15.016 6.013 -1.289
317 2HD1 ILE 47 2HD1 ILE 47 15.040 4.664 -0.153
318 3HD1 ILE 47 3HD1 ILE 47 16.244 5.946 -0.025
319 H ALA 48 H ALA 48 13.831 2.575 0.756
320 HA ALA 48 HA ALA 48 13.521 2.209 3.541
321 1HB ALA 48 1HB ALA 48 15.720 0.848 3.259
322 2HB ALA 48 2HB ALA 48 15.563 1.248 1.547
323 3HB ALA 48 3HB ALA 48 14.298 0.330 2.358
324 H ARG 49 H ARG 49 15.887 2.075 4.847
325 HA ARG 49 HA ARG 49 16.445 4.747 5.603
326 1HB ARG 49 2HB ARG 49 18.253 2.402 6.003
327 2HB ARG 49 1HB ARG 49 18.199 3.861 6.976
328 1HG ARG 49 2HG ARG 49 15.994 1.799 6.697
329 2HG ARG 49 1HG ARG 49 16.988 2.080 8.127
330 1HD ARG 49 2HD ARG 49 15.997 4.602 7.562
331 2HD ARG 49 1HD ARG 49 14.636 3.547 7.177
332 HE ARG 49 HE ARG 49 16.026 3.354 9.817
333 1HH1 ARG 49 1HH1 ARG 49 13.559 5.172 8.756
334 2HH1 ARG 49 2HH1 ARG 49 12.296 4.392 9.649
335 1HH2 ARG 49 1HH2 ARG 49 14.258 1.688 10.578
336 2HH2 ARG 49 2HH2 ARG 49 12.692 2.419 10.680
337 H GLY 50 H GLY 50 19.215 2.843 4.575
338 1HA GLY 50 2HA GLY 50 19.877 5.005 2.666
339 2HA GLY 50 1HA GLY 50 21.086 4.345 3.751
340 H ASP 51 H ASP 51 21.127 1.730 3.515
341 HA ASP 51 HA ASP 51 21.174 1.165 0.600
342 1HB ASP 51 2HB ASP 51 23.299 1.108 2.509
343 2HB ASP 51 1HB ASP 51 23.014 -0.528 1.913
344 H TRP 52 H TRP 52 20.054 -0.613 -0.030
345 HA TRP 52 HA TRP 52 19.822 -3.103 1.227
346 1HB TRP 52 2HB TRP 52 17.259 -2.536 2.014
347 2HB TRP 52 1HB TRP 52 18.632 -2.571 3.111
348 HD1 TRP 52 HD1 TRP 52 18.153 -0.644 4.689
349 HE1 TRP 52 HE1 TRP 52 17.788 1.870 4.407
350 HE3 TRP 52 HE3 TRP 52 17.751 -0.313 -0.399
351 HZ2 TRP 52 HZ2 TRP 52 17.377 3.785 2.319
352 HZ3 TRP 52 HZ3 TRP 52 17.385 1.867 -1.490
353 HH2 TRP 52 HH2 TRP 52 17.202 3.920 -0.111
354 H ASN 53 H ASN 53 17.116 -3.750 0.742
355 HA ASN 53 HA ASN 53 17.016 -3.397 -2.203
356 1HB ASN 53 2HB ASN 53 16.383 -5.536 -0.399
357 2HB ASN 53 1HB ASN 53 14.906 -5.066 -1.242
358 1HD2 ASN 53 1HD2 ASN 53 17.771 -6.898 -1.563
359 2HD2 ASN 53 2HD2 ASN 53 17.715 -7.129 -3.243
360 H ASP 54 H ASP 54 16.099 -1.345 -2.455
361 HA ASP 54 HA ASP 54 14.045 -0.224 -0.848
362 1HB ASP 54 2HB ASP 54 13.566 1.128 -3.021
363 2HB ASP 54 1HB ASP 54 15.151 1.293 -2.267
364 H ASP 55 H ASP 55 11.816 0.375 -1.941
365 HA ASP 55 HA ASP 55 10.595 -2.197 -2.814
366 1HB ASP 55 2HB ASP 55 9.292 0.231 -1.611
367 2HB ASP 55 1HB ASP 55 8.491 -1.294 -1.963
368 H ARG 56 H ARG 56 10.560 -2.197 -5.032
369 HA ARG 56 HA ARG 56 9.683 0.301 -6.406
370 1HB ARG 56 2HB ARG 56 11.094 -2.094 -7.550
371 2HB ARG 56 1HB ARG 56 10.737 -0.599 -8.402
372 1HG ARG 56 2HG ARG 56 12.210 -0.309 -5.844
373 2HG ARG 56 1HG ARG 56 13.104 -1.065 -7.165
374 1HD ARG 56 2HD ARG 56 12.659 0.827 -8.622
375 2HD ARG 56 1HD ARG 56 11.609 1.560 -7.410
376 HE ARG 56 HE ARG 56 13.776 1.616 -5.969
377 1HH1 ARG 56 1HH2 ARG 56 13.346 3.687 -8.255
378 2HH1 ARG 56 2HH2 ARG 56 14.946 3.737 -8.919
379 1HH2 ARG 56 1HH1 ARG 56 15.986 0.842 -7.318
380 2HH2 ARG 56 2HH1 ARG 56 16.440 2.126 -8.388
381 H CYS 57 H CYS 57 7.405 0.050 -6.359
382 HA CYS 57 HA CYS 57 5.801 -2.158 -6.511
383 1HB CYS 57 2HB CYS 57 5.491 0.423 -8.065
384 2HB CYS 57 1HB CYS 57 4.236 -0.808 -7.985
385 H THR 58 H THR 58 5.056 -3.576 -8.106
386 HA THR 58 HA THR 58 6.886 -4.030 -10.342
387 HB THR 58 HB THR 58 5.836 -6.102 -10.564
388 HG1 THR 58 HG1 THR 58 3.627 -6.353 -9.785
389 1HG2 THR 58 1HG2 THR 58 4.763 -5.909 -7.843
390 2HG2 THR 58 2HG2 THR 58 6.390 -5.242 -7.991
391 3HG2 THR 58 3HG2 THR 58 6.074 -6.911 -8.465
392 H GLY 59 H GLY 59 5.523 -4.707 -12.499
393 1HA GLY 59 2HA GLY 59 4.198 -2.190 -13.298
394 2HA GLY 59 1HA GLY 59 4.712 -3.478 -14.387
395 H GLN 60 H GLN 60 2.960 -4.436 -11.569
396 HA GLN 60 HA GLN 60 0.368 -4.412 -12.992
397 1HB GLN 60 2HB GLN 60 1.755 -6.953 -12.088
398 2HB GLN 60 1HB GLN 60 0.066 -6.865 -12.587
399 1HG GLN 60 2HG GLN 60 0.659 -6.217 -14.813
400 2HG GLN 60 1HG GLN 60 2.338 -5.928 -14.351
401 1HE2 GLN 60 1HE2 GLN 60 1.297 -7.856 -16.408
402 2HE2 GLN 60 2HE2 GLN 60 1.859 -9.382 -15.923
403 H SER 61 H SER 61 1.885 -3.589 -10.320
404 HA SER 61 HA SER 61 -0.338 -4.507 -8.538
405 1HB SER 61 2HB SER 61 1.331 -5.384 -7.283
406 2HB SER 61 1HB SER 61 2.573 -4.493 -8.158
407 HG SER 61 HG SER 61 1.995 -3.993 -5.794
408 H ALA 62 H ALA 62 -0.816 -2.908 -6.764
409 HA ALA 62 HA ALA 62 -0.329 -0.096 -7.684
410 1HB ALA 62 1HB ALA 62 -2.881 -1.257 -6.515
411 2HB ALA 62 2HB ALA 62 -2.637 -0.812 -8.205
412 3HB ALA 62 3HB ALA 62 -2.629 0.433 -6.954
413 H ASP 63 H ASP 63 -0.274 -2.364 -5.083
414 HA ASP 63 HA ASP 63 -0.057 -0.142 -3.113
415 1HB ASP 63 2HB ASP 63 -0.184 -3.076 -2.501
416 2HB ASP 63 1HB ASP 63 -0.455 -1.737 -1.395
417 H CYS 64 H CYS 64 1.606 -1.020 -1.238
418 HA CYS 64 HA CYS 64 4.052 -2.036 -2.593
419 1HB CYS 64 2HB CYS 64 4.260 0.389 -2.696
420 2HB CYS 64 1HB CYS 64 3.884 0.520 -0.976
421 HA PRO 65 HA PRO 65 4.220 -4.232 1.221
422 1HB PRO 65 2HB PRO 65 6.448 -5.655 0.531
423 2HB PRO 65 1HB PRO 65 4.832 -6.063 -0.045
424 1HG PRO 65 2HG PRO 65 7.112 -4.841 -1.507
425 2HG PRO 65 1HG PRO 65 5.727 -5.742 -2.143
426 1HD PRO 65 2HD PRO 65 6.061 -2.922 -2.167
427 2HD PRO 65 1HD PRO 65 4.584 -3.821 -2.579
428 H ARG 66 H ARG 66 4.960 -2.922 2.917
429 HA ARG 66 HA ARG 66 7.291 -1.301 2.848
430 1HB ARG 66 2HB ARG 66 5.595 -2.416 5.068
431 2HB ARG 66 1HB ARG 66 7.066 -1.516 5.440
432 1HG ARG 66 2HG ARG 66 5.838 0.062 3.520
433 2HG ARG 66 1HG ARG 66 4.479 -0.536 4.473
434 1HD ARG 66 2HD ARG 66 6.339 0.099 6.414
435 2HD ARG 66 1HD ARG 66 6.583 1.370 5.217
436 HE ARG 66 HE ARG 66 3.862 1.357 5.472
437 1HH1 ARG 66 1HH2 ARG 66 4.366 0.099 8.194
438 2HH1 ARG 66 2HH2 ARG 66 4.418 1.500 9.211
439 1HH2 ARG 66 1HH1 ARG 66 4.831 3.721 6.580
440 2HH2 ARG 66 2HH1 ARG 66 4.682 3.549 8.298
441 H TYR 67 H TYR 67 9.423 -1.698 3.479
442 HA TYR 67 HA TYR 67 10.086 -4.522 4.105
443 1HB TYR 67 2HB TYR 67 10.956 -2.972 1.964
444 2HB TYR 67 1HB TYR 67 12.297 -2.934 3.106
445 HD1 TYR 67 HD1 TYR 67 13.243 -5.107 3.988
446 HD2 TYR 67 HD2 TYR 67 10.441 -4.949 0.736
447 HE1 TYR 67 HE1 TYR 67 13.876 -7.413 3.329
448 HE2 TYR 67 HE2 TYR 67 11.075 -7.255 0.078
449 HH TYR 67 HH TYR 67 12.063 -9.272 1.183
450 H HIS 68 HN HIS 68 10.457 -1.191 5.021
451 HA HIS 68 HA HIS 68 11.700 -2.046 7.555
452 1HB HIS 68 2HB HIS 68 13.272 -0.982 5.420
453 2HB HIS 68 1HB HIS 68 13.176 0.248 6.681
454 HD1 HIS 68 HD1 HIS 68 14.542 -0.130 8.768
455 HD2 HIS 68 HD2 HIS 68 14.288 -3.559 6.412
456 HE1 HIS 68 HE1 HIS 68 16.113 -1.827 9.801
Start of MODEL 20
1 1H GLY 1 1HT GLY 1 -11.191 -9.730 4.258
2 2H GLY 1 2HT GLY 1 -12.085 -8.355 3.814
3 3H GLY 1 3HT GLY 1 -10.603 -8.689 3.054
4 1HA GLY 1 1HA GLY 1 -12.422 -10.878 2.830
5 2HA GLY 1 2HA GLY 1 -13.076 -9.393 2.138
6 H LYS 2 H LYS 2 -12.630 -11.166 0.258
7 HA LYS 2 HA LYS 2 -10.016 -10.363 -0.952
8 1HB LYS 2 2HB LYS 2 -11.251 -12.993 -1.672
9 2HB LYS 2 1HB LYS 2 -9.550 -12.527 -1.638
10 1HG LYS 2 2HG LYS 2 -9.896 -12.327 0.936
11 2HG LYS 2 1HG LYS 2 -11.333 -13.312 0.659
12 1HD LYS 2 2HD LYS 2 -8.513 -14.051 -0.180
13 2HD LYS 2 1HD LYS 2 -9.371 -14.718 1.208
14 1HE LYS 2 2HE LYS 2 -11.165 -15.510 -0.370
15 2HE LYS 2 1HE LYS 2 -10.140 -14.995 -1.710
16 1HZ LYS 2 1HZ LYS 2 -9.757 -17.298 -1.315
17 2HZ LYS 2 2HZ LYS 2 -9.506 -17.040 0.345
18 3HZ LYS 2 3HZ LYS 2 -8.383 -16.455 -0.788
19 H GLU 3 H GLU 3 -12.037 -8.754 -1.545
20 HA GLU 3 HA GLU 3 -12.427 -9.077 -4.369
21 1HB GLU 3 2HB GLU 3 -14.988 -9.242 -4.210
22 2HB GLU 3 1HB GLU 3 -14.080 -10.725 -3.915
23 1HG GLU 3 2HG GLU 3 -14.200 -10.272 -1.467
24 2HG GLU 3 1HG GLU 3 -15.202 -8.860 -1.803
25 H CYS 4 H CYS 4 -11.444 -6.988 -2.914
26 HA CYS 4 HA CYS 4 -13.473 -4.904 -3.434
27 1HB CYS 4 2HB CYS 4 -13.495 -5.520 -0.981
28 2HB CYS 4 1HB CYS 4 -11.871 -4.879 -0.920
29 H ASP 5 H ASP 5 -11.893 -4.916 -5.303
30 HA ASP 5 HA ASP 5 -9.244 -4.319 -5.367
31 1HB ASP 5 2HB ASP 5 -10.890 -4.279 -7.317
32 2HB ASP 5 1HB ASP 5 -11.207 -2.597 -6.889
33 H CYS 6 H CYS 6 -11.790 -2.125 -4.286
34 HA CYS 6 HA CYS 6 -9.723 -0.489 -2.940
35 1HB CYS 6 2HB CYS 6 -11.826 0.871 -4.623
36 2HB CYS 6 1HB CYS 6 -10.393 1.583 -3.890
37 H SER 7 H SER 7 -10.494 0.374 -1.016
38 HA SER 7 HA SER 7 -13.267 -0.402 -0.282
39 1HB SER 7 2HB SER 7 -12.559 -0.391 1.951
40 2HB SER 7 1HB SER 7 -11.110 -0.931 1.106
41 HG SER 7 HG SER 7 -10.538 1.367 1.050
42 H SER 8 H SER 8 -11.461 2.326 -1.227
43 HA SER 8 HA SER 8 -12.790 4.359 0.301
44 1HB SER 8 2HB SER 8 -10.846 4.238 -1.782
45 2HB SER 8 1HB SER 8 -12.098 5.378 -2.261
46 HG SER 8 HG SER 8 -11.837 6.316 -0.138
47 HA PRO 9 HA PRO 9 -16.673 3.949 -1.889
48 1HB PRO 9 2HB PRO 9 -18.029 5.735 -0.299
49 2HB PRO 9 1HB PRO 9 -17.728 4.049 0.157
50 1HG PRO 9 2HG PRO 9 -16.415 6.530 1.163
51 2HG PRO 9 1HG PRO 9 -16.624 4.967 1.967
52 1HD PRO 9 2HD PRO 9 -14.245 5.897 0.750
53 2HD PRO 9 1HD PRO 9 -14.574 4.227 1.258
54 H GLU 10 H GLU 10 -14.507 6.483 -1.848
55 HA GLU 10 HA GLU 10 -16.265 8.156 -3.602
56 1HB GLU 10 2HB GLU 10 -15.472 9.194 -1.402
57 2HB GLU 10 1HB GLU 10 -13.844 9.146 -2.080
58 1HG GLU 10 2HG GLU 10 -15.013 10.317 -4.146
59 2HG GLU 10 1HG GLU 10 -16.199 10.793 -2.929
60 H ASN 11 H ASN 11 -14.387 5.833 -4.183
61 HA ASN 11 HA ASN 11 -12.398 7.219 -5.872
62 1HB ASN 11 2HB ASN 11 -12.055 5.097 -4.214
63 2HB ASN 11 1HB ASN 11 -12.392 4.263 -5.731
64 1HD2 ASN 11 1HD2 ASN 11 -9.804 5.106 -3.998
65 2HD2 ASN 11 2HD2 ASN 11 -8.716 5.550 -5.223
66 HA PRO 12 HA PRO 12 -15.092 6.209 -9.282
67 1HB PRO 12 2HB PRO 12 -13.516 7.372 -11.213
68 2HB PRO 12 1HB PRO 12 -14.589 8.292 -10.143
69 1HG PRO 12 2HG PRO 12 -11.619 8.060 -10.074
70 2HG PRO 12 1HG PRO 12 -12.657 9.364 -9.475
71 1HD PRO 12 2HD PRO 12 -11.429 7.350 -7.897
72 2HD PRO 12 1HD PRO 12 -12.696 8.475 -7.364
73 H CYS 13 H CYS 13 -11.839 5.208 -8.776
74 HA CYS 13 HA CYS 13 -11.702 3.514 -11.183
75 1HB CYS 13 2HB CYS 13 -9.874 4.075 -8.861
76 2HB CYS 13 1HB CYS 13 -9.582 2.686 -9.900
77 H CYS 14 H CYS 14 -13.382 3.258 -8.355
78 HA CYS 14 HA CYS 14 -13.506 0.332 -8.673
79 1HB CYS 14 2HB CYS 14 -12.411 1.707 -6.241
80 2HB CYS 14 1HB CYS 14 -13.289 0.187 -6.064
81 H ASP 15 H ASP 15 -15.533 -0.395 -8.327
82 HA ASP 15 HA ASP 15 -17.668 1.447 -7.766
83 1HB ASP 15 2HB ASP 15 -17.608 -0.895 -9.025
84 2HB ASP 15 1HB ASP 15 -18.043 -1.478 -7.424
85 H ALA 16 H ALA 16 -18.395 2.093 -5.795
86 HA ALA 16 HA ALA 16 -17.253 0.850 -3.397
87 1HB ALA 16 1HB ALA 16 -18.259 2.757 -2.207
88 2HB ALA 16 2HB ALA 16 -19.073 3.255 -3.690
89 3HB ALA 16 3HB ALA 16 -17.314 3.313 -3.588
90 H ALA 17 H ALA 17 -19.564 -0.253 -5.200
91 HA ALA 17 HA ALA 17 -21.453 -0.756 -2.930
92 1HB ALA 17 1HB ALA 17 -22.268 0.501 -5.081
93 2HB ALA 17 2HB ALA 17 -23.260 -0.803 -4.427
94 3HB ALA 17 3HB ALA 17 -22.221 -1.099 -5.821
95 H THR 18 H THR 18 -19.308 -2.066 -5.258
96 HA THR 18 HA THR 18 -20.147 -4.822 -4.495
97 HB THR 18 HB THR 18 -19.354 -3.646 -7.115
98 HG1 THR 18 HG1 THR 18 -21.318 -4.221 -7.448
99 1HG2 THR 18 1HG2 THR 18 -18.771 -6.451 -6.188
100 2HG2 THR 18 2HG2 THR 18 -17.683 -5.319 -6.991
101 3HG2 THR 18 3HG2 THR 18 -19.002 -6.064 -7.893
102 H CYS 19 H CYS 19 -17.778 -2.470 -4.254
103 HA CYS 19 HA CYS 19 -15.573 -2.518 -3.480
104 1HB CYS 19 2HB CYS 19 -16.826 -4.879 -2.394
105 2HB CYS 19 1HB CYS 19 -15.126 -5.166 -2.705
106 H LYS 20 H LYS 20 -14.964 -2.277 -5.769
107 HA LYS 20 HA LYS 20 -12.893 -4.048 -6.537
108 1HB LYS 20 2HB LYS 20 -15.588 -4.790 -7.536
109 2HB LYS 20 1HB LYS 20 -14.284 -4.783 -8.724
110 1HG LYS 20 2HG LYS 20 -13.372 -6.023 -6.282
111 2HG LYS 20 1HG LYS 20 -14.847 -6.809 -6.845
112 1HD LYS 20 2HD LYS 20 -13.186 -6.298 -9.119
113 2HD LYS 20 1HD LYS 20 -12.206 -7.090 -7.884
114 1HE LYS 20 2HE LYS 20 -14.553 -8.519 -7.754
115 2HE LYS 20 1HE LYS 20 -14.437 -8.160 -9.476
116 1HZ LYS 20 1HZ LYS 20 -12.695 -9.509 -9.713
117 2HZ LYS 20 2HZ LYS 20 -13.146 -10.167 -8.212
118 3HZ LYS 20 3HZ LYS 20 -11.944 -8.968 -8.291
119 H LEU 21 H LEU 21 -12.845 -3.780 -9.291
120 HA LEU 21 HA LEU 21 -12.449 -0.886 -9.549
121 1HB LEU 21 2HB LEU 21 -11.833 -3.294 -11.226
122 2HB LEU 21 1HB LEU 21 -11.864 -1.704 -11.993
123 HG LEU 21 HG LEU 21 -10.338 -2.120 -9.441
124 1HD1 LEU 21 1HD1 LEU 21 -9.724 -3.813 -11.312
125 2HD1 LEU 21 2HD1 LEU 21 -8.422 -2.872 -10.584
126 3HD1 LEU 21 3HD1 LEU 21 -9.072 -2.409 -12.157
127 1HD2 LEU 21 1HD2 LEU 21 -9.077 -0.412 -11.325
128 2HD2 LEU 21 2HD2 LEU 21 -9.863 0.041 -9.813
129 3HD2 LEU 21 3HD2 LEU 21 -10.791 0.001 -11.312
130 H ARG 22 H ARG 22 -13.899 0.492 -10.498
131 HA ARG 22 HA ARG 22 -16.467 -0.576 -11.387
132 1HB ARG 22 2HB ARG 22 -15.518 1.917 -10.442
133 2HB ARG 22 1HB ARG 22 -16.114 2.200 -12.078
134 1HG ARG 22 2HG ARG 22 -17.633 0.892 -9.804
135 2HG ARG 22 1HG ARG 22 -17.961 2.471 -10.516
136 1HD ARG 22 2HD ARG 22 -17.952 0.744 -12.704
137 2HD ARG 22 1HD ARG 22 -18.769 -0.176 -11.441
138 HE ARG 22 HE ARG 22 -19.829 2.164 -12.785
139 1HH1 ARG 22 1HH1 ARG 22 -21.517 -0.036 -11.681
140 2HH1 ARG 22 2HH1 ARG 22 -22.253 0.718 -10.306
141 1HH2 ARG 22 1HH2 ARG 22 -19.996 3.347 -10.205
142 2HH2 ARG 22 2HH2 ARG 22 -21.392 2.633 -9.471
143 HA PRO 23 HA PRO 23 -14.914 0.961 -15.624
144 1HB PRO 23 2HB PRO 23 -12.380 2.006 -15.768
145 2HB PRO 23 1HB PRO 23 -13.816 2.984 -15.415
146 1HG PRO 23 2HG PRO 23 -11.659 2.083 -13.567
147 2HG PRO 23 1HG PRO 23 -12.725 3.492 -13.443
148 1HD PRO 23 2HD PRO 23 -13.004 1.052 -12.022
149 2HD PRO 23 1HD PRO 23 -14.209 2.353 -12.130
150 H GLY 24 H GLY 24 -12.655 0.459 -17.090
151 1HA GLY 24 2HA GLY 24 -12.095 -2.379 -16.434
152 2HA GLY 24 1HA GLY 24 -11.768 -1.596 -17.981
153 H ALA 25 H ALA 25 -10.885 0.081 -15.097
154 HA ALA 25 HA ALA 25 -8.153 0.341 -15.845
155 1HB ALA 25 1HB ALA 25 -9.303 1.914 -14.339
156 2HB ALA 25 2HB ALA 25 -7.845 1.277 -13.583
157 3HB ALA 25 3HB ALA 25 -9.425 0.657 -13.112
158 H GLN 26 H GLN 26 -6.380 -0.321 -14.118
159 HA GLN 26 HA GLN 26 -6.610 -3.266 -13.806
160 1HB GLN 26 2HB GLN 26 -4.409 -1.358 -14.242
161 2HB GLN 26 1HB GLN 26 -4.033 -2.709 -13.177
162 1HG GLN 26 2HG GLN 26 -3.630 -3.843 -15.104
163 2HG GLN 26 1HG GLN 26 -5.387 -3.953 -15.216
164 1HE2 GLN 26 1HE2 GLN 26 -3.689 -3.860 -17.555
165 2HE2 GLN 26 2HE2 GLN 26 -4.015 -2.409 -18.375
166 H CYS 27 H CYS 27 -6.700 -0.381 -12.000
167 HA CYS 27 HA CYS 27 -7.177 -1.721 -9.534
168 1HB CYS 27 2HB CYS 27 -4.977 -2.215 -9.117
169 2HB CYS 27 1HB CYS 27 -4.389 -0.911 -10.127
170 H GLY 28 H GLY 28 -7.498 -0.086 -7.749
171 1HA GLY 28 2HA GLY 28 -8.013 2.618 -8.916
172 2HA GLY 28 1HA GLY 28 -9.110 1.859 -7.768
173 H GLU 29 H GLU 29 -6.533 0.829 -6.355
174 HA GLU 29 HA GLU 29 -5.341 3.297 -5.348
175 1HB GLU 29 2HB GLU 29 -6.236 3.222 -3.130
176 2HB GLU 29 1HB GLU 29 -7.611 3.138 -4.227
177 1HG GLU 29 2HG GLU 29 -8.226 1.287 -3.086
178 2HG GLU 29 1HG GLU 29 -6.895 0.477 -3.911
179 H GLY 30 H GLY 30 -3.327 2.852 -4.579
180 1HA GLY 30 2HA GLY 30 -2.575 0.568 -3.070
181 2HA GLY 30 1HA GLY 30 -2.197 0.248 -4.762
182 H LEU 31 H LEU 31 -0.068 0.391 -3.020
183 HA LEU 31 HA LEU 31 1.031 2.999 -2.645
184 1HB LEU 31 2HB LEU 31 1.902 0.285 -2.307
185 2HB LEU 31 1HB LEU 31 3.183 1.233 -3.047
186 HG LEU 31 HG LEU 31 3.186 1.249 -0.518
187 1HD1 LEU 31 1HD1 LEU 31 2.665 4.065 -1.204
188 2HD1 LEU 31 2HD1 LEU 31 3.758 3.247 -2.322
189 3HD1 LEU 31 3HD1 LEU 31 4.140 3.310 -0.600
190 1HD2 LEU 31 1HD2 LEU 31 1.407 2.053 0.685
191 2HD2 LEU 31 2HD2 LEU 31 0.500 1.547 -0.741
192 3HD2 LEU 31 3HD2 LEU 31 0.977 3.235 -0.551
193 H CYS 32 H CYS 32 0.633 1.075 -5.449
194 HA CYS 32 HA CYS 32 2.120 3.094 -7.025
195 1HB CYS 32 2HB CYS 32 2.531 0.208 -7.726
196 2HB CYS 32 1HB CYS 32 3.565 1.594 -8.064
197 H CYS 33 H CYS 33 -0.454 3.318 -7.125
198 HA CYS 33 HA CYS 33 -1.338 1.780 -9.533
199 1HB CYS 33 2HB CYS 33 -2.774 2.481 -7.008
200 2HB CYS 33 1HB CYS 33 -3.699 2.463 -8.509
201 H GLU 34 H GLU 34 -1.164 3.190 -11.207
202 HA GLU 34 HA GLU 34 -1.330 6.046 -10.960
203 1HB GLU 34 2HB GLU 34 -0.489 4.321 -12.916
204 2HB GLU 34 1HB GLU 34 -2.005 4.922 -13.580
205 1HG GLU 34 2HG GLU 34 -0.915 7.235 -12.634
206 2HG GLU 34 1HG GLU 34 0.535 6.351 -13.113
207 H GLN 35 H GLN 35 -3.035 7.046 -12.765
208 HA GLN 35 HA GLN 35 -5.568 6.953 -11.462
209 1HB GLN 35 2HB GLN 35 -4.539 8.765 -13.036
210 2HB GLN 35 1HB GLN 35 -5.258 7.805 -14.331
211 1HG GLN 35 2HG GLN 35 -7.380 7.908 -12.702
212 2HG GLN 35 1HG GLN 35 -6.589 9.398 -12.187
213 1HE2 GLN 35 1HE2 GLN 35 -9.058 8.721 -14.029
214 2HE2 GLN 35 2HE2 GLN 35 -8.798 9.719 -15.377
215 H CYS 36 H CYS 36 -6.156 4.698 -11.394
216 HA CYS 36 HA CYS 36 -7.365 2.845 -12.186
217 1HB CYS 36 2HB CYS 36 -8.026 5.028 -14.072
218 2HB CYS 36 1HB CYS 36 -8.281 3.400 -14.688
219 H LYS 37 H LYS 37 -4.491 3.069 -12.704
220 HA LYS 37 HA LYS 37 -4.305 0.987 -14.749
221 1HB LYS 37 2HB LYS 37 -4.262 3.339 -15.908
222 2HB LYS 37 1HB LYS 37 -2.620 3.422 -15.269
223 1HG LYS 37 2HG LYS 37 -1.978 1.420 -16.437
224 2HG LYS 37 1HG LYS 37 -3.649 1.083 -16.892
225 1HD LYS 37 2HD LYS 37 -2.903 3.743 -17.749
226 2HD LYS 37 1HD LYS 37 -1.754 2.557 -18.371
227 1HE LYS 37 2HE LYS 37 -4.769 2.352 -18.625
228 2HE LYS 37 1HE LYS 37 -3.677 2.871 -19.909
229 1HZ LYS 37 1HZ LYS 37 -3.905 0.642 -20.341
230 2HZ LYS 37 2HZ LYS 37 -3.989 0.208 -18.700
231 3HZ LYS 37 3HZ LYS 37 -2.500 0.645 -19.391
232 H PHE 38 H PHE 38 -2.690 -0.380 -14.134
233 HA PHE 38 HA PHE 38 -1.272 -0.245 -11.770
234 1HB PHE 38 2HB PHE 38 -0.621 -1.527 -14.410
235 2HB PHE 38 1HB PHE 38 0.546 -1.604 -13.091
236 HD1 PHE 38 HD1 PHE 38 -0.996 -1.899 -10.692
237 HD2 PHE 38 HD2 PHE 38 -1.746 -3.562 -14.580
238 HE1 PHE 38 HE1 PHE 38 -2.287 -3.744 -9.654
239 HE2 PHE 38 HE2 PHE 38 -3.038 -5.406 -13.543
240 HZ PHE 38 HZ PHE 38 -3.308 -5.498 -11.079
241 H SER 39 H SER 39 0.242 1.133 -10.989
242 HA SER 39 HA SER 39 1.273 3.358 -12.351
243 1HB SER 39 2HB SER 39 2.952 3.493 -10.567
244 2HB SER 39 1HB SER 39 1.392 3.038 -9.888
245 HG SER 39 HG SER 39 3.723 1.535 -10.244
246 H ARG 40 H ARG 40 3.661 3.713 -12.902
247 HA ARG 40 HA ARG 40 4.491 1.599 -14.737
248 1HB ARG 40 2HB ARG 40 6.076 3.184 -15.585
249 2HB ARG 40 1HB ARG 40 4.599 4.092 -15.256
250 1HG ARG 40 2HG ARG 40 5.528 4.757 -13.049
251 2HG ARG 40 1HG ARG 40 7.023 3.908 -13.442
252 1HD ARG 40 2HD ARG 40 7.540 6.087 -14.100
253 2HD ARG 40 1HD ARG 40 6.966 5.387 -15.612
254 HE ARG 40 HE ARG 40 5.716 7.558 -14.219
255 1HH1 ARG 40 1HH1 ARG 40 5.238 7.080 -17.086
256 2HH1 ARG 40 2HH1 ARG 40 3.603 6.509 -17.119
257 1HH2 ARG 40 1HH2 ARG 40 3.516 5.752 -13.737
258 2HH2 ARG 40 2HH2 ARG 40 2.629 5.756 -15.224
259 H ALA 41 H ALA 41 6.254 0.240 -14.433
260 HA ALA 41 HA ALA 41 7.145 -0.445 -11.882
261 1HB ALA 41 1HB ALA 41 9.385 -0.892 -13.505
262 2HB ALA 41 2HB ALA 41 8.013 -0.981 -14.611
263 3HB ALA 41 3HB ALA 41 8.075 -2.031 -13.197
264 H GLY 42 H GLY 42 9.535 -0.191 -11.130
265 1HA GLY 42 2HA GLY 42 11.249 1.238 -10.414
266 2HA GLY 42 1HA GLY 42 10.894 2.251 -11.809
267 H LYS 43 H LYS 43 8.253 1.437 -9.723
268 HA LYS 43 HA LYS 43 7.989 4.274 -9.008
269 1HB LYS 43 2HB LYS 43 5.963 3.234 -9.706
270 2HB LYS 43 1HB LYS 43 6.220 1.861 -8.641
271 1HG LYS 43 2HG LYS 43 4.651 3.108 -7.437
272 2HG LYS 43 1HG LYS 43 6.160 3.673 -6.735
273 1HD LYS 43 2HD LYS 43 4.859 5.630 -7.245
274 2HD LYS 43 1HD LYS 43 6.142 5.540 -8.453
275 1HE LYS 43 2HE LYS 43 4.655 4.670 -10.109
276 2HE LYS 43 1HE LYS 43 3.396 4.357 -8.913
277 1HZ LYS 43 1HZ LYS 43 2.658 6.424 -9.104
278 2HZ LYS 43 2HZ LYS 43 3.700 6.627 -10.431
279 3HZ LYS 43 3HZ LYS 43 4.203 7.081 -8.872
280 H ILE 44 H ILE 44 8.741 5.089 -7.103
281 HA ILE 44 HA ILE 44 9.854 3.286 -5.096
282 HB ILE 44 HB ILE 44 10.981 5.384 -5.485
283 1HG1 ILE 44 2HG1 ILE 44 10.708 6.454 -3.148
284 2HG1 ILE 44 1HG1 ILE 44 9.522 5.183 -2.846
285 1HG2 ILE 44 1HG2 ILE 44 8.217 6.404 -5.358
286 2HG2 ILE 44 2HG2 ILE 44 9.604 7.015 -6.260
287 3HG2 ILE 44 3HG2 ILE 44 9.412 7.422 -4.554
288 1HD1 ILE 44 1HD1 ILE 44 11.149 3.457 -3.203
289 2HD1 ILE 44 2HD1 ILE 44 11.900 4.634 -2.127
290 3HD1 ILE 44 3HD1 ILE 44 12.322 4.609 -3.839
291 H CYS 45 H CYS 45 8.276 2.125 -4.085
292 HA CYS 45 HA CYS 45 5.813 3.410 -3.125
293 1HB CYS 45 2HB CYS 45 5.305 1.093 -2.306
294 2HB CYS 45 1HB CYS 45 5.630 1.176 -4.035
295 H ARG 46 H ARG 46 8.978 2.761 -1.895
296 HA ARG 46 HA ARG 46 8.242 3.905 0.675
297 1HB ARG 46 2HB ARG 46 8.322 0.983 0.342
298 2HB ARG 46 1HB ARG 46 9.294 1.584 1.686
299 1HG ARG 46 2HG ARG 46 7.128 3.047 2.154
300 2HG ARG 46 1HG ARG 46 6.335 1.745 1.265
301 1HD ARG 46 2HD ARG 46 8.002 0.355 2.958
302 2HD ARG 46 1HD ARG 46 7.520 1.725 3.957
303 HE ARG 46 HE ARG 46 5.592 -0.183 2.694
304 1HH1 ARG 46 1HH2 ARG 46 6.775 1.123 5.559
305 2HH1 ARG 46 2HH2 ARG 46 5.224 1.416 6.269
306 1HH2 ARG 46 1HH1 ARG 46 3.459 0.632 3.388
307 2HH2 ARG 46 2HH1 ARG 46 3.346 1.137 5.042
308 H ILE 47 H ILE 47 10.182 3.675 2.256
309 HA ILE 47 HA ILE 47 12.690 4.031 0.672
310 HB ILE 47 HB ILE 47 12.237 6.055 1.821
311 1HG1 ILE 47 2HG1 ILE 47 13.979 6.199 3.541
312 2HG1 ILE 47 1HG1 ILE 47 13.997 4.442 3.695
313 1HG2 ILE 47 1HG2 ILE 47 10.559 5.813 3.345
314 2HG2 ILE 47 2HG2 ILE 47 11.889 5.645 4.490
315 3HG2 ILE 47 3HG2 ILE 47 11.101 4.209 3.835
316 1HD1 ILE 47 1HD1 ILE 47 14.331 5.325 0.926
317 2HD1 ILE 47 2HD1 ILE 47 15.303 4.193 1.867
318 3HD1 ILE 47 3HD1 ILE 47 15.604 5.928 1.988
319 H ALA 48 H ALA 48 14.279 2.546 0.995
320 HA ALA 48 HA ALA 48 13.861 0.288 2.714
321 1HB ALA 48 1HB ALA 48 16.304 -0.200 2.053
322 2HB ALA 48 2HB ALA 48 16.200 1.263 1.071
323 3HB ALA 48 3HB ALA 48 15.130 -0.097 0.742
324 H ARG 49 H ARG 49 15.958 -0.328 4.178
325 HA ARG 49 HA ARG 49 15.898 1.358 6.475
326 1HB ARG 49 2HB ARG 49 17.880 -0.730 5.681
327 2HB ARG 49 1HB ARG 49 17.745 -0.053 7.298
328 1HG ARG 49 2HG ARG 49 15.641 -1.644 5.802
329 2HG ARG 49 1HG ARG 49 16.510 -2.142 7.255
330 1HD ARG 49 2HD ARG 49 15.449 0.286 8.013
331 2HD ARG 49 1HD ARG 49 14.179 -0.374 6.984
332 HE ARG 49 HE ARG 49 15.213 -1.672 9.460
333 1HH1 ARG 49 1HH1 ARG 49 14.251 -3.751 7.656
334 2HH1 ARG 49 2HH1 ARG 49 12.552 -3.819 7.980
335 1HH2 ARG 49 1HH2 ARG 49 12.458 -0.729 9.550
336 2HH2 ARG 49 2HH2 ARG 49 11.535 -2.109 9.054
337 H GLY 50 H GLY 50 19.052 0.566 5.184
338 1HA GLY 50 2HA GLY 50 19.657 3.347 4.544
339 2HA GLY 50 1HA GLY 50 20.523 2.690 5.930
340 H ASP 51 H ASP 51 20.621 3.057 2.586
341 HA ASP 51 HA ASP 51 22.364 2.435 1.112
342 1HB ASP 51 2HB ASP 51 23.406 1.685 3.588
343 2HB ASP 51 1HB ASP 51 23.492 0.236 2.588
344 H TRP 52 H TRP 52 21.178 1.473 -0.464
345 HA TRP 52 HA TRP 52 21.341 -1.196 -1.147
346 1HB TRP 52 2HB TRP 52 18.801 -1.792 -0.489
347 2HB TRP 52 1HB TRP 52 20.155 -2.173 0.557
348 HD1 TRP 52 HD1 TRP 52 18.910 -1.953 2.781
349 HE1 TRP 52 HE1 TRP 52 17.907 0.013 4.066
350 HE3 TRP 52 HE3 TRP 52 18.965 1.676 -0.826
351 HZ2 TRP 52 HZ2 TRP 52 17.229 2.760 3.643
352 HZ3 TRP 52 HZ3 TRP 52 18.149 3.943 -0.338
353 HH2 TRP 52 HH2 TRP 52 17.279 4.472 1.921
354 H ASN 53 H ASN 53 18.745 -1.730 -2.220
355 HA ASN 53 HA ASN 53 18.573 0.474 -4.206
356 1HB ASN 53 2HB ASN 53 18.720 -2.223 -4.601
357 2HB ASN 53 1HB ASN 53 16.971 -1.994 -4.585
358 1HD2 ASN 53 1HD2 ASN 53 19.648 -1.920 -6.629
359 2HD2 ASN 53 2HD2 ASN 53 19.003 -0.949 -7.864
360 H ASP 54 H ASP 54 16.758 1.797 -4.177
361 HA ASP 54 HA ASP 54 14.935 1.740 -1.999
362 1HB ASP 54 2HB ASP 54 15.195 3.225 -4.508
363 2HB ASP 54 1HB ASP 54 13.532 3.058 -3.958
364 H ASP 55 H ASP 55 12.589 1.309 -2.081
365 HA ASP 55 HA ASP 55 12.056 -1.251 -3.371
366 1HB ASP 55 2HB ASP 55 11.183 -0.165 -1.066
367 2HB ASP 55 1HB ASP 55 9.845 0.258 -2.129
368 H ARG 56 H ARG 56 11.835 -1.051 -5.571
369 HA ARG 56 HA ARG 56 10.104 1.086 -6.678
370 1HB ARG 56 2HB ARG 56 11.697 -1.029 -8.097
371 2HB ARG 56 1HB ARG 56 10.957 0.387 -8.827
372 1HG ARG 56 2HG ARG 56 12.762 0.944 -6.550
373 2HG ARG 56 1HG ARG 56 13.552 0.301 -7.989
374 1HD ARG 56 2HD ARG 56 12.499 2.062 -9.359
375 2HD ARG 56 1HD ARG 56 11.711 2.710 -7.922
376 HE ARG 56 HE ARG 56 14.001 3.245 -7.060
377 1HH1 ARG 56 1HH2 ARG 56 15.168 1.452 -9.363
378 2HH1 ARG 56 2HH2 ARG 56 15.896 2.681 -10.340
379 1HH2 ARG 56 1HH1 ARG 56 14.240 5.290 -8.764
380 2HH2 ARG 56 2HH1 ARG 56 15.371 4.855 -10.002
381 H CYS 57 H CYS 57 8.220 0.564 -7.912
382 HA CYS 57 HA CYS 57 7.019 -2.035 -7.169
383 1HB CYS 57 2HB CYS 57 5.668 0.122 -8.791
384 2HB CYS 57 1HB CYS 57 4.930 -1.096 -7.756
385 H THR 58 H THR 58 6.257 -3.481 -8.802
386 HA THR 58 HA THR 58 7.899 -3.541 -11.196
387 HB THR 58 HB THR 58 6.857 -5.639 -11.638
388 HG1 THR 58 HG1 THR 58 4.901 -6.173 -10.475
389 1HG2 THR 58 1HG2 THR 58 6.461 -5.794 -8.718
390 2HG2 THR 58 2HG2 THR 58 8.008 -5.109 -9.213
391 3HG2 THR 58 3HG2 THR 58 7.542 -6.722 -9.758
392 H GLY 59 H GLY 59 6.425 -4.179 -13.312
393 1HA GLY 59 2HA GLY 59 4.883 -1.710 -13.814
394 2HA GLY 59 1HA GLY 59 5.394 -2.875 -15.037
395 H GLN 60 H GLN 60 4.025 -4.355 -12.289
396 HA GLN 60 HA GLN 60 1.268 -4.275 -13.358
397 1HB GLN 60 2HB GLN 60 2.833 -6.858 -13.065
398 2HB GLN 60 1HB GLN 60 1.127 -6.733 -13.496
399 1HG GLN 60 2HG GLN 60 3.435 -5.580 -15.093
400 2HG GLN 60 1HG GLN 60 2.533 -7.037 -15.506
401 1HE2 GLN 60 1HE2 GLN 60 0.016 -5.535 -14.376
402 2HE2 GLN 60 2HE2 GLN 60 -0.445 -4.548 -15.675
403 H SER 61 H SER 61 3.019 -3.773 -10.791
404 HA SER 61 HA SER 61 1.305 -5.375 -8.936
405 1HB SER 61 2HB SER 61 3.947 -5.409 -8.887
406 2HB SER 61 1HB SER 61 3.744 -3.888 -8.021
407 HG SER 61 HG SER 61 2.046 -5.358 -6.868
408 H ALA 62 H ALA 62 -0.083 -4.294 -7.601
409 HA ALA 62 HA ALA 62 -0.143 -1.328 -7.824
410 1HB ALA 62 1HB ALA 62 -2.154 -3.440 -7.088
411 2HB ALA 62 2HB ALA 62 -2.279 -2.159 -8.293
412 3HB ALA 62 3HB ALA 62 -2.407 -1.771 -6.577
413 H ASP 63 H ASP 63 0.521 -3.893 -5.562
414 HA ASP 63 HA ASP 63 0.500 -1.953 -3.304
415 1HB ASP 63 2HB ASP 63 1.022 -4.893 -3.079
416 2HB ASP 63 1HB ASP 63 0.454 -3.794 -1.831
417 H CYS 64 H CYS 64 2.442 -2.767 -1.669
418 HA CYS 64 HA CYS 64 4.911 -2.971 -3.327
419 1HB CYS 64 2HB CYS 64 4.718 -0.627 -2.825
420 2HB CYS 64 1HB CYS 64 4.340 -0.962 -1.137
421 HA PRO 65 HA PRO 65 5.623 -6.070 -0.258
422 1HB PRO 65 2HB PRO 65 7.837 -7.059 -1.528
423 2HB PRO 65 1HB PRO 65 6.187 -7.475 -1.993
424 1HG PRO 65 2HG PRO 65 8.158 -5.725 -3.362
425 2HG PRO 65 1HG PRO 65 6.755 -6.572 -4.034
426 1HD PRO 65 2HD PRO 65 6.910 -3.810 -3.387
427 2HD PRO 65 1HD PRO 65 5.448 -4.715 -3.830
428 H ARG 66 H ARG 66 6.697 -5.697 1.643
429 HA ARG 66 HA ARG 66 8.899 -3.779 1.736
430 1HB ARG 66 2HB ARG 66 6.908 -4.271 3.468
431 2HB ARG 66 1HB ARG 66 8.126 -5.353 4.142
432 1HG ARG 66 2HG ARG 66 9.592 -3.611 4.643
433 2HG ARG 66 1HG ARG 66 8.891 -2.538 3.430
434 1HD ARG 66 2HD ARG 66 7.360 -1.731 4.884
435 2HD ARG 66 1HD ARG 66 6.950 -3.344 5.466
436 HE ARG 66 HE ARG 66 8.416 -2.986 7.275
437 1HH1 ARG 66 1HH1 ARG 66 8.046 -0.048 6.989
438 2HH1 ARG 66 2HH1 ARG 66 9.675 0.522 6.833
439 1HH2 ARG 66 1HH2 ARG 66 10.975 -2.602 6.071
440 2HH2 ARG 66 2HH2 ARG 66 11.333 -0.925 6.312
441 H TYR 67 H TYR 67 10.131 -5.487 0.299
442 HA TYR 67 HA TYR 67 11.132 -7.839 1.626
443 1HB TYR 67 2HB TYR 67 12.371 -8.231 -0.317
444 2HB TYR 67 1HB TYR 67 11.011 -7.292 -0.924
445 HD1 TYR 67 HD1 TYR 67 14.196 -7.662 -1.678
446 HD2 TYR 67 HD2 TYR 67 11.700 -4.553 -0.081
447 HE1 TYR 67 HE1 TYR 67 15.770 -5.954 -2.545
448 HE2 TYR 67 HE2 TYR 67 13.276 -2.845 -0.947
449 HH TYR 67 HH TYR 67 15.734 -3.578 -3.183
450 H HIS 68 HN HIS 68 11.744 -4.631 2.236
451 HA HIS 68 HA HIS 68 14.453 -5.303 3.321
452 1HB HIS 68 2HB HIS 68 13.511 -2.907 1.801
453 2HB HIS 68 1HB HIS 68 14.682 -2.653 3.094
454 HD1 HIS 68 HD1 HIS 68 15.918 -2.057 0.530
455 HD2 HIS 68 HD2 HIS 68 15.627 -6.005 1.835
456 HE1 HIS 68 HE1 HIS 68 17.665 -3.365 -0.752