NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
526917 |
2lk0   |
17969 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 H1 ACE 0 -0.411 0.872 1.898
2 H2 ACE 0 H2 ACE 0 -0.420 -0.922 1.922
3 H3 ACE 0 H3 ACE 0 -1.798 -0.025 1.210
4 H LYS 1 H LYS 1 1.854 -0.104 0.857
5 HA LYS 1 HA LYS 1 1.412 0.359 -2.063
6 HB2 LYS 1 HB2 LYS 1 2.890 1.841 -0.389
7 HB3 LYS 1 HB3 LYS 1 4.112 0.600 -0.707
8 HG2 LYS 1 HG2 LYS 1 3.442 1.062 -3.284
9 HG3 LYS 1 HG3 LYS 1 2.643 2.502 -2.615
10 HD2 LYS 1 HD2 LYS 1 4.760 3.274 -3.299
11 HD3 LYS 1 HD3 LYS 1 4.929 3.114 -1.527
12 HE2 LYS 1 HE2 LYS 1 6.121 0.876 -1.882
13 HE3 LYS 1 HE3 LYS 1 5.885 1.064 -3.622
14 HZ1 LYS 1 HZ1 LYS 1 7.980 1.823 -3.470
15 HZ2 LYS 1 HZ2 LYS 1 7.776 2.473 -1.859
16 HZ3 LYS 1 HZ3 LYS 1 7.160 3.337 -3.255
17 H PHE 2 H PHE 2 1.064 -1.854 -2.840
18 HA PHE 2 HA PHE 2 2.941 -3.950 -1.885
19 HB2 PHE 2 HB2 PHE 2 0.588 -4.015 -3.856
20 HB3 PHE 2 HB3 PHE 2 1.599 -5.419 -3.434
21 HD1 PHE 2 HD1 PHE 2 1.811 -6.205 -1.067
22 HD2 PHE 2 HD2 PHE 2 -1.155 -3.312 -2.238
23 HE1 PHE 2 HE1 PHE 2 0.470 -6.771 0.929
24 HE2 PHE 2 HE2 PHE 2 -2.499 -3.895 -0.247
25 HZ PHE 2 HZ PHE 2 -1.697 -5.630 1.336
26 H GLU 3 H GLU 3 4.653 -2.203 -2.949
27 HA GLU 3 HA GLU 3 6.285 -2.115 -4.490
28 HB2 GLU 3 HB2 GLU 3 5.902 -4.690 -4.327
29 HB3 GLU 3 HB3 GLU 3 5.193 -4.584 -5.948
30 HG2 GLU 3 HG2 GLU 3 7.758 -3.182 -5.969
31 HG3 GLU 3 HG3 GLU 3 7.993 -4.702 -5.138
32 H ASP 4 H ASP 4 4.581 -0.194 -4.950
33 HA ASP 4 HA ASP 4 4.377 -0.065 -7.904
34 HB2 ASP 4 HB2 ASP 4 2.062 0.568 -5.970
35 HB3 ASP 4 HB3 ASP 4 1.973 0.646 -7.747
36 H TRP 5 H TRP 5 3.524 2.339 -8.487
37 HA TRP 5 HA TRP 5 4.266 4.277 -6.360
38 HB2 TRP 5 HB2 TRP 5 5.830 5.461 -7.990
39 HB3 TRP 5 HB3 TRP 5 6.411 3.853 -7.480
40 HD1 TRP 5 HD1 TRP 5 6.589 2.064 -9.251
41 HE1 TRP 5 HE1 TRP 5 6.419 1.938 -11.821
42 HE3 TRP 5 HE3 TRP 5 4.397 6.577 -10.048
43 HZ2 TRP 5 HZ2 TRP 5 5.660 3.671 -13.919
44 HZ3 TRP 5 HZ3 TRP 5 3.736 7.156 -12.426
45 HH2 TRP 5 HH2 TRP 5 4.618 5.865 -14.267
46 H LEU 6 H LEU 6 3.816 6.612 -7.192
47 HA LEU 6 HA LEU 6 1.452 6.449 -8.974
48 HB2 LEU 6 HB2 LEU 6 0.192 7.777 -7.552
49 HB3 LEU 6 HB3 LEU 6 1.106 6.713 -6.478
50 HG LEU 6 HG LEU 6 2.902 8.732 -6.407
51 HD11 LEU 6 HD11 LEU 6 0.684 9.963 -7.874
52 HD12 LEU 6 HD12 LEU 6 2.288 10.636 -7.515
53 HD13 LEU 6 HD13 LEU 6 0.945 10.842 -6.366
54 HD21 LEU 6 HD21 LEU 6 1.919 7.931 -4.433
55 HD22 LEU 6 HD22 LEU 6 0.297 8.576 -4.850
56 HD23 LEU 6 HD23 LEU 6 1.641 9.689 -4.425
57 H CYS 7 H CYS 7 1.288 7.923 -10.696
58 HA CYS 7 HA CYS 7 3.776 9.130 -11.387
59 HB2 CYS 7 HB2 CYS 7 1.865 8.392 -13.017
60 HB3 CYS 7 HB3 CYS 7 0.979 9.830 -12.449
61 H ASN 8 H ASN 8 4.382 11.347 -11.566
62 HA ASN 8 HA ASN 8 3.165 12.998 -9.391
63 HB2 ASN 8 HB2 ASN 8 5.264 14.409 -9.762
64 HB3 ASN 8 HB3 ASN 8 5.501 12.743 -9.171
65 HD21 ASN 8 HD21 ASN 8 7.751 12.701 -10.038
66 HD22 ASN 8 HD22 ASN 8 7.975 12.552 -11.739
67 H LYS 9 H LYS 9 1.929 12.533 -12.223
68 HA LYS 9 HA LYS 9 1.583 15.438 -12.790
69 HB2 LYS 9 HB2 LYS 9 3.033 13.554 -14.339
70 HB3 LYS 9 HB3 LYS 9 1.471 13.597 -15.176
71 HG2 LYS 9 HG2 LYS 9 3.107 16.129 -14.507
72 HG3 LYS 9 HG3 LYS 9 3.317 15.149 -15.971
73 HD2 LYS 9 HD2 LYS 9 1.964 16.877 -16.676
74 HD3 LYS 9 HD3 LYS 9 0.844 15.503 -16.552
75 HE2 LYS 9 HE2 LYS 9 -0.332 16.473 -14.744
76 HE3 LYS 9 HE3 LYS 9 1.068 17.432 -14.175
77 HZ1 LYS 9 HZ1 LYS 9 -0.369 17.981 -16.766
78 HZ2 LYS 9 HZ2 LYS 9 0.878 18.944 -15.991
79 HZ3 LYS 9 HZ3 LYS 9 -0.687 18.793 -15.246
80 H CYS 10 H CYS 10 0.264 12.160 -13.762
81 HA CYS 10 HA CYS 10 -2.454 13.369 -13.541
82 HB2 CYS 10 HB2 CYS 10 -3.146 11.258 -14.567
83 HB3 CYS 10 HB3 CYS 10 -1.919 12.086 -15.593
84 H CYS 11 H CYS 11 -0.270 11.773 -11.352
85 HA CYS 11 HA CYS 11 -0.672 10.857 -9.372
86 HB2 CYS 11 HB2 CYS 11 -3.627 11.497 -9.528
87 HB3 CYS 11 HB3 CYS 11 -2.559 11.341 -8.105
88 HG CYS 11 HG CYS 11 -2.859 13.706 -9.932
89 H LEU 12 H LEU 12 -1.183 9.243 -12.021
90 HA LEU 12 HA LEU 12 -3.162 7.292 -11.173
91 HB2 LEU 12 HB2 LEU 12 -2.814 7.979 -13.588
92 HB3 LEU 12 HB3 LEU 12 -1.163 7.314 -13.463
93 HG LEU 12 HG LEU 12 -2.540 5.091 -12.715
94 HD11 LEU 12 HD11 LEU 12 -4.748 6.539 -13.001
95 HD12 LEU 12 HD12 LEU 12 -4.705 4.797 -13.338
96 HD13 LEU 12 HD13 LEU 12 -4.642 5.944 -14.683
97 HD21 LEU 12 HD21 LEU 12 -2.747 4.889 -15.550
98 HD22 LEU 12 HD22 LEU 12 -1.482 4.286 -14.468
99 HD23 LEU 12 HD23 LEU 12 -1.305 5.880 -15.202
100 H ASN 13 H ASN 13 -2.647 5.147 -10.389
101 HA ASN 13 HA ASN 13 0.017 4.819 -9.314
102 HB2 ASN 13 HB2 ASN 13 -2.502 3.712 -8.623
103 HB3 ASN 13 HB3 ASN 13 -1.569 2.349 -9.276
104 HD21 ASN 13 HD21 ASN 13 -1.182 5.287 -7.108
105 HD22 ASN 13 HD22 ASN 13 -0.243 4.442 -5.924
106 H ASN 14 H ASN 14 1.446 2.866 -9.731
107 HA ASN 14 HA ASN 14 0.832 1.364 -12.132
108 HB2 ASN 14 HB2 ASN 14 2.944 3.554 -12.067
109 HB3 ASN 14 HB3 ASN 14 3.238 2.127 -13.102
110 HD21 ASN 14 HD21 ASN 14 1.015 1.535 -14.499
111 HD22 ASN 14 HD22 ASN 14 0.449 2.927 -15.342
112 H PHE 15 H PHE 15 2.330 -0.363 -12.564
113 HA PHE 15 HA PHE 15 3.085 -1.536 -10.127
114 HB2 PHE 15 HB2 PHE 15 2.987 -2.487 -12.888
115 HB3 PHE 15 HB3 PHE 15 4.578 -2.861 -12.244
116 HD1 PHE 15 HD1 PHE 15 0.911 -3.343 -11.796
117 HD2 PHE 15 HD2 PHE 15 4.813 -4.470 -10.364
118 HE1 PHE 15 HE1 PHE 15 -0.061 -5.319 -10.676
119 HE2 PHE 15 HE2 PHE 15 3.835 -6.429 -9.245
120 HZ PHE 15 HZ PHE 15 1.397 -6.875 -9.406
121 H ARG 16 H ARG 16 5.184 -2.027 -9.200
122 HA ARG 16 HA ARG 16 7.204 0.032 -9.652
123 HB2 ARG 16 HB2 ARG 16 6.941 -2.364 -7.918
124 HB3 ARG 16 HB3 ARG 16 8.588 -2.096 -8.406
125 HG2 ARG 16 HG2 ARG 16 7.169 0.409 -7.441
126 HG3 ARG 16 HG3 ARG 16 7.223 -0.823 -6.229
127 HD2 ARG 16 HD2 ARG 16 9.868 -0.340 -7.634
128 HD3 ARG 16 HD3 ARG 16 9.171 0.968 -6.631
129 HE ARG 16 HE ARG 16 9.113 -1.523 -5.170
130 HH11 ARG 16 HH12 ARG 16 11.410 0.996 -6.283
131 HH12 ARG 16 HH11 ARG 16 12.416 0.796 -4.859
132 HH21 ARG 16 HH22 ARG 16 10.474 -1.736 -3.413
133 HH22 ARG 16 HH21 ARG 16 11.917 -0.736 -3.281
134 H LYS 17 H LYS 17 6.791 -3.121 -11.079
135 HA LYS 17 HA LYS 17 9.403 -3.136 -12.289
136 HB2 LYS 17 HB2 LYS 17 7.936 -5.110 -12.185
137 HB3 LYS 17 HB3 LYS 17 6.666 -4.267 -13.131
138 HG2 LYS 17 HG2 LYS 17 8.081 -4.185 -15.117
139 HG3 LYS 17 HG3 LYS 17 9.456 -4.934 -14.242
140 HD2 LYS 17 HD2 LYS 17 8.170 -7.025 -13.955
141 HD3 LYS 17 HD3 LYS 17 6.675 -6.224 -14.536
142 HE2 LYS 17 HE2 LYS 17 7.741 -5.851 -16.775
143 HE3 LYS 17 HE3 LYS 17 9.190 -6.738 -16.229
144 HZ1 LYS 17 HZ1 LYS 17 8.142 -8.737 -16.542
145 HZ2 LYS 17 HZ2 LYS 17 6.981 -7.835 -17.480
146 HZ3 LYS 17 HZ3 LYS 17 6.646 -8.225 -15.827
147 H ARG 18 H ARG 18 6.446 -1.241 -13.000
148 HA ARG 18 HA ARG 18 6.904 -0.903 -15.747
149 HB2 ARG 18 HB2 ARG 18 4.972 0.182 -13.934
150 HB3 ARG 18 HB3 ARG 18 6.013 1.538 -14.319
151 HG2 ARG 18 HG2 ARG 18 4.423 1.801 -15.987
152 HG3 ARG 18 HG3 ARG 18 5.378 0.621 -16.895
153 HD2 ARG 18 HD2 ARG 18 3.826 -1.187 -15.557
154 HD3 ARG 18 HD3 ARG 18 2.837 0.244 -15.312
155 HE ARG 18 HE ARG 18 2.183 0.225 -17.511
156 HH11 ARG 18 HH12 ARG 18 5.188 -1.755 -17.222
157 HH12 ARG 18 HH11 ARG 18 5.086 -2.271 -18.890
158 HH21 ARG 18 HH22 ARG 18 2.155 -0.512 -19.633
159 HH22 ARG 18 HH21 ARG 18 3.406 -1.602 -20.222
160 H LEU 19 H LEU 19 7.476 1.316 -16.698
161 HA LEU 19 HA LEU 19 9.985 2.384 -15.491
162 HB2 LEU 19 HB2 LEU 19 10.589 2.988 -17.827
163 HB3 LEU 19 HB3 LEU 19 10.690 1.261 -17.454
164 HG LEU 19 HG LEU 19 8.225 2.414 -18.913
165 HD11 LEU 19 HD11 LEU 19 10.112 3.196 -20.184
166 HD12 LEU 19 HD12 LEU 19 9.338 1.861 -21.062
167 HD13 LEU 19 HD13 LEU 19 10.863 1.571 -20.168
168 HD21 LEU 19 HD21 LEU 19 7.617 0.138 -18.549
169 HD22 LEU 19 HD22 LEU 19 9.312 -0.390 -18.392
170 HD23 LEU 19 HD23 LEU 19 8.592 -0.078 -19.983
171 H LYS 20 H LYS 20 6.819 3.314 -17.267
172 HA LYS 20 HA LYS 20 7.204 5.884 -16.055
173 HB2 LYS 20 HB2 LYS 20 7.138 7.123 -18.324
174 HB3 LYS 20 HB3 LYS 20 8.548 6.031 -18.231
175 HG2 LYS 20 HG2 LYS 20 6.713 4.341 -19.389
176 HG3 LYS 20 HG3 LYS 20 5.909 5.879 -19.782
177 HD2 LYS 20 HD2 LYS 20 7.819 6.651 -21.035
178 HD3 LYS 20 HD3 LYS 20 8.876 5.328 -20.460
179 HE2 LYS 20 HE2 LYS 20 7.660 3.616 -21.610
180 HE3 LYS 20 HE3 LYS 20 6.300 4.701 -21.970
181 HZ1 LYS 20 HZ1 LYS 20 7.275 4.908 -23.974
182 HZ2 LYS 20 HZ2 LYS 20 8.829 4.329 -23.431
183 HZ3 LYS 20 HZ3 LYS 20 8.391 6.000 -23.228
184 H CYS 21 H CYS 21 5.270 7.273 -16.542
185 HA CYS 21 HA CYS 21 3.066 5.618 -15.871
186 HB2 CYS 21 HB2 CYS 21 3.419 8.025 -15.199
187 HB3 CYS 21 HB3 CYS 21 3.015 8.518 -16.887
188 H PHE 22 H PHE 22 1.590 4.508 -17.163
189 HA PHE 22 HA PHE 22 2.029 4.654 -20.054
190 HB2 PHE 22 HB2 PHE 22 1.486 2.563 -18.503
191 HB3 PHE 22 HB3 PHE 22 -0.201 3.129 -18.601
192 HD1 PHE 22 HD1 PHE 22 2.868 2.438 -20.710
193 HD2 PHE 22 HD2 PHE 22 -1.427 2.194 -20.495
194 HE1 PHE 22 HE1 PHE 22 2.824 1.276 -22.887
195 HE2 PHE 22 HE2 PHE 22 -1.454 0.959 -22.635
196 HZ PHE 22 HZ PHE 22 0.665 0.511 -23.845
197 H ARG 23 H ARG 23 0.070 6.445 -17.788
198 HA ARG 23 HA ARG 23 -2.165 6.772 -19.621
199 HB2 ARG 23 HB2 ARG 23 -2.350 6.645 -17.133
200 HB3 ARG 23 HB3 ARG 23 -1.575 8.223 -16.957
201 HG2 ARG 23 HG2 ARG 23 -3.610 8.608 -18.902
202 HG3 ARG 23 HG3 ARG 23 -4.356 7.446 -17.788
203 HD2 ARG 23 HD2 ARG 23 -3.063 10.026 -16.722
204 HD3 ARG 23 HD3 ARG 23 -4.643 10.033 -17.556
205 HE ARG 23 HE ARG 23 -4.615 8.062 -15.456
206 HH11 ARG 23 HH12 ARG 23 -4.973 11.599 -16.005
207 HH12 ARG 23 HH11 ARG 23 -6.026 11.771 -14.613
208 HH21 ARG 23 HH22 ARG 23 -6.021 8.401 -13.725
209 HH22 ARG 23 HH21 ARG 23 -6.586 10.019 -13.342
210 H CYS 24 H CYS 24 0.207 9.135 -18.047
211 HA CYS 24 HA CYS 24 -0.378 10.997 -20.277
212 HB2 CYS 24 HB2 CYS 24 0.992 12.612 -18.992
213 HB3 CYS 24 HB3 CYS 24 -0.367 11.944 -18.034
214 H GLY 25 H GLY 25 2.054 8.462 -19.442
215 HA2 GLY 25 HA2 GLY 25 3.617 7.765 -21.057
216 HA3 GLY 25 HA3 GLY 25 3.535 9.335 -21.860
217 H ALA 26 H ALA 26 3.706 10.492 -18.794
218 HA ALA 26 HA ALA 26 6.501 11.014 -19.222
219 HB1 ALA 26 HB1 ALA 26 6.289 12.759 -17.699
220 HB2 ALA 26 HB2 ALA 26 4.580 12.616 -18.190
221 HB3 ALA 26 HB3 ALA 26 5.131 11.880 -16.656
222 H ASP 27 H ASP 27 8.214 10.671 -17.531
223 HA ASP 27 HA ASP 27 7.870 8.010 -16.423
224 HB2 ASP 27 HB2 ASP 27 9.997 8.999 -17.555
225 HB3 ASP 27 HB3 ASP 27 10.325 9.689 -15.937
226 H LYS 28 H LYS 28 8.179 7.385 -14.195
227 HA LYS 28 HA LYS 28 6.725 9.056 -12.375
228 HB2 LYS 28 HB2 LYS 28 7.639 7.565 -10.592
229 HB3 LYS 28 HB3 LYS 28 6.904 6.666 -11.940
230 HG2 LYS 28 HG2 LYS 28 8.831 5.616 -12.565
231 HG3 LYS 28 HG3 LYS 28 9.817 7.080 -12.363
232 HD2 LYS 28 HD2 LYS 28 10.660 5.490 -10.904
233 HD3 LYS 28 HD3 LYS 28 9.907 6.777 -9.911
234 HE2 LYS 28 HE2 LYS 28 8.041 5.443 -9.310
235 HE3 LYS 28 HE3 LYS 28 8.363 4.248 -10.597
236 HZ1 LYS 28 HZ1 LYS 28 9.283 4.195 -7.895
237 HZ2 LYS 28 HZ2 LYS 28 10.690 4.354 -8.884
238 HZ3 LYS 28 HZ3 LYS 28 9.591 3.049 -9.182
239 H PHE 29 H PHE 29 10.136 9.152 -13.466
240 HA PHE 29 HA PHE 29 10.744 10.994 -11.177
241 HB2 PHE 29 HB2 PHE 29 12.169 8.762 -12.341
242 HB3 PHE 29 HB3 PHE 29 13.045 10.209 -12.843
243 HD1 PHE 29 HD1 PHE 29 11.521 8.429 -9.936
244 HD2 PHE 29 HD2 PHE 29 14.386 11.388 -11.135
245 HE1 PHE 29 HE1 PHE 29 12.498 8.382 -7.662
246 HE2 PHE 29 HE2 PHE 29 15.362 11.354 -8.861
247 HZ PHE 29 HZ PHE 29 14.429 9.849 -7.122
248 H ASP 30 H ASP 30 9.066 11.604 -13.775
249 HA ASP 30 HA ASP 30 9.026 13.271 -15.316
250 HB2 ASP 30 HB2 ASP 30 10.744 14.577 -13.153
251 HB3 ASP 30 HB3 ASP 30 10.364 15.398 -14.695
252 HN1 NH2 31 HN1 NH2 31 12.512 14.138 -14.772
253 HN2 NH2 31 HN2 NH2 31 12.960 13.504 -16.312
Start of MODEL 2
1 H1 ACE 0 H1 ACE 0 -0.777 0.433 1.581
2 H2 ACE 0 H2 ACE 0 -0.889 -1.352 1.417
3 H3 ACE 0 H3 ACE 0 -2.180 -0.304 0.748
4 H LYS 1 H LYS 1 1.477 -0.572 0.532
5 HA LYS 1 HA LYS 1 1.182 0.199 -2.339
6 HB2 LYS 1 HB2 LYS 1 2.683 1.447 -0.506
7 HB3 LYS 1 HB3 LYS 1 3.847 0.155 -0.885
8 HG2 LYS 1 HG2 LYS 1 3.376 0.736 -3.378
9 HG3 LYS 1 HG3 LYS 1 2.547 2.199 -2.801
10 HD2 LYS 1 HD2 LYS 1 5.487 1.477 -2.144
11 HD3 LYS 1 HD3 LYS 1 4.963 2.447 -3.524
12 HE2 LYS 1 HE2 LYS 1 5.439 4.181 -2.198
13 HE3 LYS 1 HE3 LYS 1 3.741 3.994 -1.714
14 HZ1 LYS 1 HZ1 LYS 1 5.589 4.322 0.056
15 HZ2 LYS 1 HZ2 LYS 1 5.976 2.651 -0.158
16 HZ3 LYS 1 HZ3 LYS 1 4.375 3.123 0.381
17 H PHE 2 H PHE 2 0.824 -1.860 -3.439
18 HA PHE 2 HA PHE 2 2.444 -4.161 -2.502
19 HB2 PHE 2 HB2 PHE 2 -0.072 -4.215 -3.054
20 HB3 PHE 2 HB3 PHE 2 0.381 -4.066 -4.766
21 HD1 PHE 2 HD1 PHE 2 1.043 -6.037 -1.614
22 HD2 PHE 2 HD2 PHE 2 0.978 -6.156 -5.916
23 HE1 PHE 2 HE1 PHE 2 1.395 -8.480 -1.553
24 HE2 PHE 2 HE2 PHE 2 1.270 -8.608 -5.845
25 HZ PHE 2 HZ PHE 2 1.482 -9.778 -3.666
26 H GLU 3 H GLU 3 4.292 -2.375 -3.366
27 HA GLU 3 HA GLU 3 6.031 -2.224 -4.802
28 HB2 GLU 3 HB2 GLU 3 5.550 -4.805 -4.847
29 HB3 GLU 3 HB3 GLU 3 4.955 -4.547 -6.494
30 HG2 GLU 3 HG2 GLU 3 7.599 -3.261 -6.202
31 HG3 GLU 3 HG3 GLU 3 7.672 -4.873 -5.529
32 H ASP 4 H ASP 4 4.587 -0.158 -5.222
33 HA ASP 4 HA ASP 4 4.302 0.065 -8.160
34 HB2 ASP 4 HB2 ASP 4 1.967 0.741 -6.293
35 HB3 ASP 4 HB3 ASP 4 1.998 0.805 -8.080
36 H TRP 5 H TRP 5 3.530 2.541 -8.604
37 HA TRP 5 HA TRP 5 4.324 4.317 -6.363
38 HB2 TRP 5 HB2 TRP 5 5.928 5.558 -7.958
39 HB3 TRP 5 HB3 TRP 5 6.470 3.934 -7.455
40 HD1 TRP 5 HD1 TRP 5 6.533 2.115 -9.199
41 HE1 TRP 5 HE1 TRP 5 6.450 2.015 -11.786
42 HE3 TRP 5 HE3 TRP 5 4.595 6.749 -10.059
43 HZ2 TRP 5 HZ2 TRP 5 5.885 3.746 -13.860
44 HZ3 TRP 5 HZ3 TRP 5 4.308 7.473 -12.471
45 HH2 TRP 5 HH2 TRP 5 5.118 6.092 -14.267
46 H LEU 6 H LEU 6 3.917 6.678 -7.000
47 HA LEU 6 HA LEU 6 1.417 6.741 -8.656
48 HB2 LEU 6 HB2 LEU 6 2.359 8.228 -6.182
49 HB3 LEU 6 HB3 LEU 6 1.244 9.022 -7.300
50 HG LEU 6 HG LEU 6 0.416 6.209 -6.550
51 HD11 LEU 6 HD11 LEU 6 -0.539 7.048 -4.330
52 HD12 LEU 6 HD12 LEU 6 0.579 8.440 -4.460
53 HD13 LEU 6 HD13 LEU 6 1.223 6.769 -4.384
54 HD21 LEU 6 HD21 LEU 6 -1.047 8.927 -6.699
55 HD22 LEU 6 HD22 LEU 6 -1.822 7.345 -6.420
56 HD23 LEU 6 HD23 LEU 6 -0.995 7.663 -7.970
57 H CYS 7 H CYS 7 1.334 8.147 -10.438
58 HA CYS 7 HA CYS 7 3.885 9.262 -11.198
59 HB2 CYS 7 HB2 CYS 7 2.129 8.368 -12.836
60 HB3 CYS 7 HB3 CYS 7 1.074 9.726 -12.358
61 H ASN 8 H ASN 8 4.406 11.497 -11.641
62 HA ASN 8 HA ASN 8 3.116 13.294 -9.637
63 HB2 ASN 8 HB2 ASN 8 5.872 12.759 -10.450
64 HB3 ASN 8 HB3 ASN 8 5.529 14.434 -10.862
65 HD21 ASN 8 HD21 ASN 8 7.069 12.886 -8.480
66 HD22 ASN 8 HD22 ASN 8 6.508 13.806 -7.132
67 H LYS 9 H LYS 9 1.872 12.603 -12.272
68 HA LYS 9 HA LYS 9 1.643 15.390 -13.297
69 HB2 LYS 9 HB2 LYS 9 3.079 13.322 -14.663
70 HB3 LYS 9 HB3 LYS 9 1.469 13.291 -15.405
71 HG2 LYS 9 HG2 LYS 9 2.617 14.733 -16.748
72 HG3 LYS 9 HG3 LYS 9 1.645 15.831 -15.741
73 HD2 LYS 9 HD2 LYS 9 3.497 16.749 -14.697
74 HD3 LYS 9 HD3 LYS 9 4.451 15.242 -14.684
75 HE2 LYS 9 HE2 LYS 9 5.075 15.411 -16.985
76 HE3 LYS 9 HE3 LYS 9 3.886 16.700 -17.308
77 HZ1 LYS 9 HZ1 LYS 9 5.572 18.124 -17.033
78 HZ2 LYS 9 HZ2 LYS 9 6.619 16.936 -16.317
79 HZ3 LYS 9 HZ3 LYS 9 5.505 17.826 -15.328
80 H CYS 10 H CYS 10 0.316 12.017 -13.825
81 HA CYS 10 HA CYS 10 -2.423 13.229 -13.770
82 HB2 CYS 10 HB2 CYS 10 -3.141 11.025 -14.712
83 HB3 CYS 10 HB3 CYS 10 -1.928 11.857 -15.728
84 H CYS 11 H CYS 11 -0.214 11.789 -11.477
85 HA CYS 11 HA CYS 11 -0.623 10.926 -9.424
86 HB2 CYS 11 HB2 CYS 11 -3.540 11.809 -9.731
87 HB3 CYS 11 HB3 CYS 11 -2.553 11.655 -8.254
88 HG CYS 11 HG CYS 11 -2.122 13.750 -10.492
89 H LEU 12 H LEU 12 -1.101 9.207 -11.968
90 HA LEU 12 HA LEU 12 -3.152 7.415 -10.921
91 HB2 LEU 12 HB2 LEU 12 -3.101 8.138 -13.275
92 HB3 LEU 12 HB3 LEU 12 -1.576 7.278 -13.549
93 HG LEU 12 HG LEU 12 -3.659 5.581 -12.223
94 HD11 LEU 12 HD11 LEU 12 -5.135 7.089 -13.662
95 HD12 LEU 12 HD12 LEU 12 -5.313 5.329 -13.842
96 HD13 LEU 12 HD13 LEU 12 -4.434 6.250 -15.075
97 HD21 LEU 12 HD21 LEU 12 -1.405 4.947 -13.641
98 HD22 LEU 12 HD22 LEU 12 -2.619 4.685 -14.901
99 HD23 LEU 12 HD23 LEU 12 -2.768 3.834 -13.366
100 H ASN 13 H ASN 13 -2.596 5.356 -10.048
101 HA ASN 13 HA ASN 13 0.116 4.964 -9.218
102 HB2 ASN 13 HB2 ASN 13 -1.471 4.123 -7.733
103 HB3 ASN 13 HB3 ASN 13 -2.434 3.317 -8.997
104 HD21 ASN 13 HD21 ASN 13 -1.588 1.323 -10.063
105 HD22 ASN 13 HD22 ASN 13 -0.449 0.372 -9.175
106 H ASN 14 H ASN 14 1.690 3.305 -9.912
107 HA ASN 14 HA ASN 14 0.876 1.727 -12.289
108 HB2 ASN 14 HB2 ASN 14 3.208 3.676 -12.138
109 HB3 ASN 14 HB3 ASN 14 3.183 2.361 -13.349
110 HD21 ASN 14 HD21 ASN 14 1.954 5.603 -12.620
111 HD22 ASN 14 HD22 ASN 14 0.807 5.616 -13.899
112 H PHE 15 H PHE 15 2.213 -0.086 -12.694
113 HA PHE 15 HA PHE 15 3.004 -1.351 -10.345
114 HB2 PHE 15 HB2 PHE 15 2.751 -2.220 -13.057
115 HB3 PHE 15 HB3 PHE 15 4.452 -2.465 -12.692
116 HD1 PHE 15 HD2 PHE 15 0.924 -3.200 -11.681
117 HD2 PHE 15 HD1 PHE 15 5.032 -4.299 -11.049
118 HE1 PHE 15 HE2 PHE 15 0.224 -5.310 -10.606
119 HE2 PHE 15 HE1 PHE 15 4.341 -6.354 -9.954
120 HZ PHE 15 HZ PHE 15 1.924 -6.902 -9.744
121 H ARG 16 H ARG 16 5.122 -1.946 -9.457
122 HA ARG 16 HA ARG 16 7.116 0.134 -9.832
123 HB2 ARG 16 HB2 ARG 16 6.908 -2.331 -8.174
124 HB3 ARG 16 HB3 ARG 16 8.578 -1.921 -8.581
125 HG2 ARG 16 HG2 ARG 16 6.578 0.024 -7.350
126 HG3 ARG 16 HG3 ARG 16 7.687 -0.916 -6.350
127 HD2 ARG 16 HD2 ARG 16 8.991 0.649 -8.605
128 HD3 ARG 16 HD3 ARG 16 8.143 1.570 -7.306
129 HE ARG 16 HE ARG 16 9.937 -0.427 -6.205
130 HH11 ARG 16 HH12 ARG 16 9.936 2.737 -7.879
131 HH12 ARG 16 HH11 ARG 16 11.395 3.263 -7.057
132 HH21 ARG 16 HH22 ARG 16 11.811 0.335 -5.202
133 HH22 ARG 16 HH21 ARG 16 12.443 1.935 -5.586
134 H LYS 17 H LYS 17 6.590 -2.800 -11.470
135 HA LYS 17 HA LYS 17 9.312 -2.969 -12.484
136 HB2 LYS 17 HB2 LYS 17 7.064 -4.720 -12.451
137 HB3 LYS 17 HB3 LYS 17 7.102 -4.165 -14.140
138 HG2 LYS 17 HG2 LYS 17 9.601 -4.924 -14.107
139 HG3 LYS 17 HG3 LYS 17 9.314 -5.462 -12.426
140 HD2 LYS 17 HD2 LYS 17 8.925 -7.475 -13.541
141 HD3 LYS 17 HD3 LYS 17 7.263 -6.837 -13.501
142 HE2 LYS 17 HE2 LYS 17 7.700 -5.849 -15.854
143 HE3 LYS 17 HE3 LYS 17 9.273 -6.700 -15.824
144 HZ1 LYS 17 HZ1 LYS 17 7.705 -8.067 -16.983
145 HZ2 LYS 17 HZ2 LYS 17 6.516 -7.929 -15.706
146 HZ3 LYS 17 HZ3 LYS 17 7.994 -8.831 -15.439
147 H ARG 18 H ARG 18 6.624 -0.761 -13.046
148 HA ARG 18 HA ARG 18 7.105 -0.656 -15.859
149 HB2 ARG 18 HB2 ARG 18 4.942 0.213 -14.206
150 HB3 ARG 18 HB3 ARG 18 5.631 1.685 -14.894
151 HG2 ARG 18 HG2 ARG 18 4.705 -0.805 -16.436
152 HG3 ARG 18 HG3 ARG 18 3.738 0.664 -16.180
153 HD2 ARG 18 HD2 ARG 18 5.035 2.008 -17.581
154 HD3 ARG 18 HD3 ARG 18 6.437 0.962 -17.619
155 HE ARG 18 HE ARG 18 4.075 0.921 -19.293
156 HH11 ARG 18 HH12 ARG 18 6.594 -1.278 -17.931
157 HH12 ARG 18 HH11 ARG 18 6.433 -2.398 -19.258
158 HH21 ARG 18 HH22 ARG 18 4.001 -0.569 -20.963
159 HH22 ARG 18 HH21 ARG 18 4.983 -2.028 -20.918
160 H LEU 19 H LEU 19 8.609 0.716 -16.921
161 HA LEU 19 HA LEU 19 10.218 2.575 -15.250
162 HB2 LEU 19 HB2 LEU 19 10.339 1.528 -18.154
163 HB3 LEU 19 HB3 LEU 19 11.266 2.924 -17.678
164 HG LEU 19 HG LEU 19 11.661 0.783 -15.675
165 HD11 LEU 19 HD11 LEU 19 11.167 -0.679 -17.708
166 HD12 LEU 19 HD12 LEU 19 12.733 -0.907 -16.894
167 HD13 LEU 19 HD13 LEU 19 12.661 -0.001 -18.438
168 HD21 LEU 19 HD21 LEU 19 13.493 2.460 -17.518
169 HD22 LEU 19 HD22 LEU 19 14.119 1.193 -16.444
170 HD23 LEU 19 HD23 LEU 19 13.244 2.590 -15.750
171 H LYS 20 H LYS 20 7.099 3.080 -16.211
172 HA LYS 20 HA LYS 20 7.540 5.818 -16.271
173 HB2 LYS 20 HB2 LYS 20 6.789 6.279 -18.738
174 HB3 LYS 20 HB3 LYS 20 8.408 5.609 -18.611
175 HG2 LYS 20 HG2 LYS 20 7.285 3.256 -18.917
176 HG3 LYS 20 HG3 LYS 20 5.793 4.156 -19.333
177 HD2 LYS 20 HD2 LYS 20 7.205 5.375 -21.140
178 HD3 LYS 20 HD3 LYS 20 8.550 4.294 -20.683
179 HE2 LYS 20 HE2 LYS 20 6.528 2.421 -21.115
180 HE3 LYS 20 HE3 LYS 20 6.044 3.702 -22.259
181 HZ1 LYS 20 HZ1 LYS 20 7.521 2.058 -23.293
182 HZ2 LYS 20 HZ2 LYS 20 8.747 2.330 -22.085
183 HZ3 LYS 20 HZ3 LYS 20 8.334 3.610 -23.215
184 H CYS 21 H CYS 21 5.350 7.003 -17.105
185 HA CYS 21 HA CYS 21 3.343 5.520 -15.600
186 HB2 CYS 21 HB2 CYS 21 3.783 7.990 -15.361
187 HB3 CYS 21 HB3 CYS 21 3.155 8.241 -17.028
188 H PHE 22 H PHE 22 1.575 4.343 -16.455
189 HA PHE 22 HA PHE 22 1.581 4.083 -19.403
190 HB2 PHE 22 HB2 PHE 22 1.279 2.243 -17.361
191 HB3 PHE 22 HB3 PHE 22 -0.421 2.535 -17.776
192 HD1 PHE 22 HD1 PHE 22 -0.036 2.963 -20.866
193 HD2 PHE 22 HD2 PHE 22 1.633 0.068 -18.132
194 HE1 PHE 22 HE1 PHE 22 0.304 1.414 -22.714
195 HE2 PHE 22 HE2 PHE 22 1.868 -1.519 -19.991
196 HZ PHE 22 HZ PHE 22 1.280 -0.833 -22.308
197 H ARG 23 H ARG 23 0.327 6.415 -17.512
198 HA ARG 23 HA ARG 23 -2.337 6.420 -18.834
199 HB2 ARG 23 HB2 ARG 23 -2.621 6.287 -16.501
200 HB3 ARG 23 HB3 ARG 23 -1.320 7.424 -16.109
201 HG2 ARG 23 HG2 ARG 23 -3.387 8.536 -15.678
202 HG3 ARG 23 HG3 ARG 23 -2.613 9.320 -17.050
203 HD2 ARG 23 HD2 ARG 23 -4.450 9.036 -18.312
204 HD3 ARG 23 HD3 ARG 23 -4.332 7.252 -18.159
205 HE ARG 23 HE ARG 23 -5.603 8.184 -15.827
206 HH11 ARG 23 HH12 ARG 23 -6.213 7.991 -19.366
207 HH12 ARG 23 HH11 ARG 23 -7.936 7.775 -19.117
208 HH21 ARG 23 HH22 ARG 23 -7.793 7.829 -15.616
209 HH22 ARG 23 HH21 ARG 23 -8.817 7.689 -17.040
210 H CYS 24 H CYS 24 0.236 8.732 -17.564
211 HA CYS 24 HA CYS 24 -0.568 10.532 -19.788
212 HB2 CYS 24 HB2 CYS 24 0.493 12.277 -18.563
213 HB3 CYS 24 HB3 CYS 24 -0.400 11.288 -17.368
214 H GLY 25 H GLY 25 1.932 8.036 -19.111
215 HA2 GLY 25 HA2 GLY 25 3.526 7.461 -20.724
216 HA3 GLY 25 HA3 GLY 25 3.382 9.047 -21.487
217 H ALA 26 H ALA 26 3.720 10.665 -19.026
218 HA ALA 26 HA ALA 26 6.458 10.956 -19.121
219 HB1 ALA 26 HB1 ALA 26 4.907 12.701 -18.210
220 HB2 ALA 26 HB2 ALA 26 4.653 11.703 -16.742
221 HB3 ALA 26 HB3 ALA 26 6.262 12.387 -17.087
222 H ASP 27 H ASP 27 8.149 10.721 -17.388
223 HA ASP 27 HA ASP 27 7.946 7.989 -16.381
224 HB2 ASP 27 HB2 ASP 27 10.010 9.159 -17.575
225 HB3 ASP 27 HB3 ASP 27 10.395 9.690 -15.910
226 H LYS 28 H LYS 28 9.134 7.722 -14.080
227 HA LYS 28 HA LYS 28 7.208 8.713 -12.215
228 HB2 LYS 28 HB2 LYS 28 10.057 7.665 -11.660
229 HB3 LYS 28 HB3 LYS 28 8.751 7.902 -10.470
230 HG2 LYS 28 HG2 LYS 28 7.540 6.067 -11.231
231 HG3 LYS 28 HG3 LYS 28 8.148 6.111 -12.880
232 HD2 LYS 28 HD2 LYS 28 9.193 4.227 -12.176
233 HD3 LYS 28 HD3 LYS 28 10.497 5.383 -11.851
234 HE2 LYS 28 HE2 LYS 28 8.452 4.493 -9.712
235 HE3 LYS 28 HE3 LYS 28 9.940 3.597 -10.089
236 HZ1 LYS 28 HZ1 LYS 28 9.887 6.466 -9.122
237 HZ2 LYS 28 HZ2 LYS 28 11.298 5.486 -9.442
238 HZ3 LYS 28 HZ3 LYS 28 10.169 5.128 -8.140
239 H PHE 29 H PHE 29 10.724 9.580 -12.766
240 HA PHE 29 HA PHE 29 10.288 12.011 -11.058
241 HB2 PHE 29 HB2 PHE 29 12.438 10.076 -11.209
242 HB3 PHE 29 HB3 PHE 29 13.080 11.553 -11.922
243 HD1 PHE 29 HD1 PHE 29 12.961 13.727 -10.577
244 HD2 PHE 29 HD2 PHE 29 11.935 9.914 -8.861
245 HE1 PHE 29 HE1 PHE 29 13.260 14.660 -8.303
246 HE2 PHE 29 HE2 PHE 29 12.245 10.849 -6.597
247 HZ PHE 29 HZ PHE 29 12.906 13.224 -6.310
248 H ASP 30 H ASP 30 9.394 11.470 -14.072
249 HA ASP 30 HA ASP 30 9.548 12.451 -16.040
250 HB2 ASP 30 HB2 ASP 30 9.297 14.720 -16.059
251 HB3 ASP 30 HB3 ASP 30 8.937 14.336 -14.356
252 HN1 NH2 31 HN1 NH2 31 12.870 12.866 -14.412
253 HN2 NH2 31 HN2 NH2 31 13.620 12.773 -15.951
Start of MODEL 3
1 H1 ACE 0 H1 ACE 0 -3.210 -4.594 -1.461
2 H2 ACE 0 H2 ACE 0 -2.295 -3.627 -0.258
3 H3 ACE 0 H3 ACE 0 -2.399 -5.409 -0.088
4 H LYS 1 H LYS 1 -1.430 -2.960 -2.639
5 HA LYS 1 HA LYS 1 0.628 -4.934 -3.491
6 HB2 LYS 1 HB2 LYS 1 -1.247 -3.702 -4.930
7 HB3 LYS 1 HB3 LYS 1 -0.035 -2.425 -5.054
8 HG2 LYS 1 HG2 LYS 1 1.482 -3.900 -6.321
9 HG3 LYS 1 HG3 LYS 1 0.719 -5.372 -5.683
10 HD2 LYS 1 HD2 LYS 1 -0.015 -5.248 -7.902
11 HD3 LYS 1 HD3 LYS 1 -1.379 -4.922 -6.849
12 HE2 LYS 1 HE2 LYS 1 -0.458 -2.309 -7.308
13 HE3 LYS 1 HE3 LYS 1 0.073 -3.106 -8.797
14 HZ1 LYS 1 HZ1 LYS 1 -2.434 -2.032 -8.193
15 HZ2 LYS 1 HZ2 LYS 1 -2.741 -3.728 -8.226
16 HZ3 LYS 1 HZ3 LYS 1 -2.012 -2.952 -9.599
17 H PHE 2 H PHE 2 2.412 -4.567 -2.079
18 HA PHE 2 HA PHE 2 3.129 -1.736 -1.509
19 HB2 PHE 2 HB2 PHE 2 3.002 -3.586 0.244
20 HB3 PHE 2 HB3 PHE 2 4.394 -4.365 -0.546
21 HD1 PHE 2 HD2 PHE 2 3.204 -1.078 0.896
22 HD2 PHE 2 HD1 PHE 2 6.598 -3.627 0.167
23 HE1 PHE 2 HE2 PHE 2 4.636 0.452 2.201
24 HE2 PHE 2 HE1 PHE 2 8.011 -2.120 1.519
25 HZ PHE 2 HZ PHE 2 7.040 -0.073 2.534
26 H GLU 3 H GLU 3 3.357 -2.138 -4.316
27 HA GLU 3 HA GLU 3 6.235 -1.866 -4.575
28 HB2 GLU 3 HB2 GLU 3 5.953 -4.374 -4.488
29 HB3 GLU 3 HB3 GLU 3 4.825 -4.301 -5.863
30 HG2 GLU 3 HG2 GLU 3 6.577 -3.993 -7.389
31 HG3 GLU 3 HG3 GLU 3 7.516 -2.972 -6.240
32 H ASP 4 H ASP 4 4.725 0.190 -4.994
33 HA ASP 4 HA ASP 4 4.529 0.451 -7.925
34 HB2 ASP 4 HB2 ASP 4 2.073 1.039 -6.193
35 HB3 ASP 4 HB3 ASP 4 2.149 0.945 -7.969
36 H TRP 5 H TRP 5 3.616 2.838 -8.414
37 HA TRP 5 HA TRP 5 4.364 4.662 -6.209
38 HB2 TRP 5 HB2 TRP 5 6.001 5.876 -7.774
39 HB3 TRP 5 HB3 TRP 5 6.543 4.259 -7.247
40 HD1 TRP 5 HD1 TRP 5 6.675 2.443 -8.980
41 HE1 TRP 5 HE1 TRP 5 6.679 2.329 -11.581
42 HE3 TRP 5 HE3 TRP 5 4.703 7.021 -9.913
43 HZ2 TRP 5 HZ2 TRP 5 6.112 4.044 -13.689
44 HZ3 TRP 5 HZ3 TRP 5 4.383 7.718 -12.319
45 HH2 TRP 5 HH2 TRP 5 5.227 6.328 -14.124
46 H LEU 6 H LEU 6 3.899 6.993 -6.827
47 HA LEU 6 HA LEU 6 1.546 6.986 -8.663
48 HB2 LEU 6 HB2 LEU 6 2.248 8.792 -6.301
49 HB3 LEU 6 HB3 LEU 6 1.032 9.175 -7.535
50 HG LEU 6 HG LEU 6 0.104 6.676 -6.844
51 HD11 LEU 6 HD11 LEU 6 1.454 7.773 -4.303
52 HD12 LEU 6 HD12 LEU 6 1.682 6.175 -5.081
53 HD13 LEU 6 HD13 LEU 6 0.137 6.589 -4.284
54 HD21 LEU 6 HD21 LEU 6 -1.359 8.496 -7.013
55 HD22 LEU 6 HD22 LEU 6 -0.559 9.423 -5.705
56 HD23 LEU 6 HD23 LEU 6 -1.525 7.967 -5.322
57 H CYS 7 H CYS 7 1.344 8.479 -10.364
58 HA CYS 7 HA CYS 7 3.914 9.615 -11.125
59 HB2 CYS 7 HB2 CYS 7 2.274 8.646 -12.813
60 HB3 CYS 7 HB3 CYS 7 1.149 9.969 -12.416
61 H ASN 8 H ASN 8 4.339 11.891 -11.498
62 HA ASN 8 HA ASN 8 2.825 13.616 -9.590
63 HB2 ASN 8 HB2 ASN 8 5.636 13.232 -10.172
64 HB3 ASN 8 HB3 ASN 8 5.249 14.848 -10.743
65 HD21 ASN 8 HD21 ASN 8 6.302 13.201 -7.964
66 HD22 ASN 8 HD22 ASN 8 5.715 14.342 -6.813
67 H LYS 9 H LYS 9 1.730 12.818 -12.268
68 HA LYS 9 HA LYS 9 1.386 15.568 -13.285
69 HB2 LYS 9 HB2 LYS 9 3.176 13.897 -14.472
70 HB3 LYS 9 HB3 LYS 9 1.742 13.293 -15.308
71 HG2 LYS 9 HG2 LYS 9 1.635 15.110 -16.692
72 HG3 LYS 9 HG3 LYS 9 1.842 16.297 -15.386
73 HD2 LYS 9 HD2 LYS 9 4.325 15.824 -15.341
74 HD3 LYS 9 HD3 LYS 9 4.087 14.680 -16.690
75 HE2 LYS 9 HE2 LYS 9 4.848 16.683 -17.686
76 HE3 LYS 9 HE3 LYS 9 3.108 16.628 -18.057
77 HZ1 LYS 9 HZ1 LYS 9 2.702 18.515 -16.813
78 HZ2 LYS 9 HZ2 LYS 9 4.396 18.798 -17.082
79 HZ3 LYS 9 HZ3 LYS 9 3.868 18.135 -15.578
80 H CYS 10 H CYS 10 0.241 12.095 -13.858
81 HA CYS 10 HA CYS 10 -2.513 13.250 -13.968
82 HB2 CYS 10 HB2 CYS 10 -3.193 11.138 -14.949
83 HB3 CYS 10 HB3 CYS 10 -1.771 11.769 -15.833
84 H CYS 11 H CYS 11 -0.361 11.972 -11.517
85 HA CYS 11 HA CYS 11 -0.844 11.227 -9.436
86 HB2 CYS 11 HB2 CYS 11 -2.986 12.980 -10.155
87 HB3 CYS 11 HB3 CYS 11 -3.783 11.552 -9.450
88 HG CYS 11 HG CYS 11 -1.807 13.494 -8.167
89 H LEU 12 H LEU 12 -1.051 9.335 -11.893
90 HA LEU 12 HA LEU 12 -3.087 7.491 -10.866
91 HB2 LEU 12 HB2 LEU 12 -3.023 8.074 -13.241
92 HB3 LEU 12 HB3 LEU 12 -1.411 7.319 -13.412
93 HG LEU 12 HG LEU 12 -3.332 5.990 -14.255
94 HD11 LEU 12 HD11 LEU 12 -2.509 4.035 -12.255
95 HD12 LEU 12 HD12 LEU 12 -1.102 4.967 -12.821
96 HD13 LEU 12 HD13 LEU 12 -2.117 4.103 -13.989
97 HD21 LEU 12 HD21 LEU 12 -4.333 5.553 -11.414
98 HD22 LEU 12 HD22 LEU 12 -4.933 4.851 -12.927
99 HD23 LEU 12 HD23 LEU 12 -5.055 6.615 -12.650
100 H ASN 13 H ASN 13 -2.497 5.390 -10.067
101 HA ASN 13 HA ASN 13 0.204 5.278 -9.023
102 HB2 ASN 13 HB2 ASN 13 -2.260 4.510 -8.000
103 HB3 ASN 13 HB3 ASN 13 -1.545 2.953 -8.454
104 HD21 ASN 13 HD21 ASN 13 -1.894 4.828 -5.759
105 HD22 ASN 13 HD22 ASN 13 -0.395 4.414 -5.016
106 H ASN 14 H ASN 14 1.892 4.203 -10.223
107 HA ASN 14 HA ASN 14 0.928 2.134 -12.162
108 HB2 ASN 14 HB2 ASN 14 3.403 3.903 -12.215
109 HB3 ASN 14 HB3 ASN 14 3.070 2.631 -13.393
110 HD21 ASN 14 HD21 ASN 14 2.018 5.821 -12.133
111 HD22 ASN 14 HD22 ASN 14 0.856 6.130 -13.343
112 H PHE 15 H PHE 15 2.224 0.247 -12.435
113 HA PHE 15 HA PHE 15 3.018 -0.781 -9.950
114 HB2 PHE 15 HB2 PHE 15 2.406 -1.987 -12.343
115 HB3 PHE 15 HB3 PHE 15 4.148 -2.149 -12.400
116 HD1 PHE 15 HD1 PHE 15 5.197 -3.400 -10.111
117 HD2 PHE 15 HD2 PHE 15 1.033 -3.468 -11.224
118 HE1 PHE 15 HE1 PHE 15 4.845 -5.274 -8.636
119 HE2 PHE 15 HE2 PHE 15 0.806 -5.593 -10.033
120 HZ PHE 15 HZ PHE 15 2.622 -6.368 -8.506
121 H ARG 16 H ARG 16 5.176 -1.330 -9.171
122 HA ARG 16 HA ARG 16 7.286 0.539 -9.830
123 HB2 ARG 16 HB2 ARG 16 7.019 -1.909 -8.168
124 HB3 ARG 16 HB3 ARG 16 8.629 -1.716 -8.774
125 HG2 ARG 16 HG2 ARG 16 7.078 0.471 -7.198
126 HG3 ARG 16 HG3 ARG 16 8.238 -0.695 -6.519
127 HD2 ARG 16 HD2 ARG 16 9.714 0.269 -8.611
128 HD3 ARG 16 HD3 ARG 16 8.795 1.754 -8.221
129 HE ARG 16 HE ARG 16 9.764 0.849 -5.771
130 HH11 ARG 16 HH12 ARG 16 11.211 1.838 -8.933
131 HH12 ARG 16 HH11 ARG 16 12.737 2.239 -8.171
132 HH21 ARG 16 HH22 ARG 16 11.750 1.423 -4.916
133 HH22 ARG 16 HH21 ARG 16 13.032 2.046 -5.950
134 H LYS 17 H LYS 17 6.344 -2.286 -11.576
135 HA LYS 17 HA LYS 17 8.999 -2.593 -12.738
136 HB2 LYS 17 HB2 LYS 17 6.871 -4.373 -12.371
137 HB3 LYS 17 HB3 LYS 17 6.451 -3.716 -13.968
138 HG2 LYS 17 HG2 LYS 17 7.821 -5.617 -14.421
139 HG3 LYS 17 HG3 LYS 17 8.931 -4.238 -14.591
140 HD2 LYS 17 HD2 LYS 17 9.110 -4.962 -11.784
141 HD3 LYS 17 HD3 LYS 17 8.849 -6.500 -12.620
142 HE2 LYS 17 HE2 LYS 17 10.843 -5.506 -14.220
143 HE3 LYS 17 HE3 LYS 17 11.177 -4.533 -12.760
144 HZ1 LYS 17 HZ1 LYS 17 10.941 -7.563 -12.726
145 HZ2 LYS 17 HZ2 LYS 17 11.647 -6.514 -11.511
146 HZ3 LYS 17 HZ3 LYS 17 12.410 -6.727 -13.071
147 H ARG 18 H ARG 18 6.367 -0.276 -13.034
148 HA ARG 18 HA ARG 18 6.438 -0.284 -15.911
149 HB2 ARG 18 HB2 ARG 18 4.597 0.833 -13.963
150 HB3 ARG 18 HB3 ARG 18 5.319 2.184 -14.826
151 HG2 ARG 18 HG2 ARG 18 3.717 1.855 -16.348
152 HG3 ARG 18 HG3 ARG 18 4.656 0.521 -16.970
153 HD2 ARG 18 HD2 ARG 18 2.624 -0.556 -16.627
154 HD3 ARG 18 HD3 ARG 18 3.413 -0.891 -15.054
155 HE ARG 18 HE ARG 18 1.882 1.602 -15.011
156 HH11 ARG 18 HH12 ARG 18 1.392 -1.948 -14.957
157 HH12 ARG 18 HH11 ARG 18 -0.198 -1.775 -14.232
158 HH21 ARG 18 HH22 ARG 18 -0.182 1.735 -14.211
159 HH22 ARG 18 HH21 ARG 18 -1.062 0.269 -13.787
160 H LEU 19 H LEU 19 8.377 0.480 -16.814
161 HA LEU 19 HA LEU 19 10.197 2.237 -15.458
162 HB2 LEU 19 HB2 LEU 19 9.742 1.746 -18.485
163 HB3 LEU 19 HB3 LEU 19 11.047 2.725 -17.790
164 HG LEU 19 HG LEU 19 11.263 0.295 -16.338
165 HD11 LEU 19 HD11 LEU 19 9.697 -0.810 -18.117
166 HD12 LEU 19 HD12 LEU 19 11.293 -1.544 -17.873
167 HD13 LEU 19 HD13 LEU 19 10.995 -0.494 -19.290
168 HD21 LEU 19 HD21 LEU 19 13.359 -0.030 -17.663
169 HD22 LEU 19 HD22 LEU 19 13.159 1.666 -17.141
170 HD23 LEU 19 HD23 LEU 19 12.806 1.205 -18.835
171 H LYS 20 H LYS 20 7.096 2.870 -17.191
172 HA LYS 20 HA LYS 20 7.516 5.632 -16.383
173 HB2 LYS 20 HB2 LYS 20 7.082 6.555 -18.653
174 HB3 LYS 20 HB3 LYS 20 8.514 5.520 -18.693
175 HG2 LYS 20 HG2 LYS 20 6.372 3.709 -19.241
176 HG3 LYS 20 HG3 LYS 20 5.823 5.179 -20.054
177 HD2 LYS 20 HD2 LYS 20 7.787 5.181 -21.502
178 HD3 LYS 20 HD3 LYS 20 8.654 4.024 -20.444
179 HE2 LYS 20 HE2 LYS 20 7.021 2.227 -20.968
180 HE3 LYS 20 HE3 LYS 20 6.178 3.320 -22.107
181 HZ1 LYS 20 HZ1 LYS 20 7.828 1.744 -23.135
182 HZ2 LYS 20 HZ2 LYS 20 9.113 2.546 -22.285
183 HZ3 LYS 20 HZ3 LYS 20 8.175 3.429 -23.470
184 H CYS 21 H CYS 21 5.523 6.984 -16.704
185 HA CYS 21 HA CYS 21 3.487 5.532 -15.413
186 HB2 CYS 21 HB2 CYS 21 3.820 8.047 -15.279
187 HB3 CYS 21 HB3 CYS 21 3.204 8.189 -16.957
188 H PHE 22 H PHE 22 1.691 4.315 -16.191
189 HA PHE 22 HA PHE 22 1.682 3.882 -19.130
190 HB2 PHE 22 HB2 PHE 22 1.571 2.136 -17.155
191 HB3 PHE 22 HB3 PHE 22 -0.164 2.503 -17.101
192 HD1 PHE 22 HD1 PHE 22 2.803 1.653 -19.266
193 HD2 PHE 22 HD2 PHE 22 -1.439 1.122 -18.722
194 HE1 PHE 22 HE1 PHE 22 2.772 0.022 -21.120
195 HE2 PHE 22 HE2 PHE 22 -1.450 -0.560 -20.540
196 HZ PHE 22 HZ PHE 22 0.647 -1.095 -21.755
197 H ARG 23 H ARG 23 0.405 6.284 -17.335
198 HA ARG 23 HA ARG 23 -2.225 6.218 -18.693
199 HB2 ARG 23 HB2 ARG 23 -2.520 6.146 -16.343
200 HB3 ARG 23 HB3 ARG 23 -1.244 7.335 -15.997
201 HG2 ARG 23 HG2 ARG 23 -3.340 8.446 -15.634
202 HG3 ARG 23 HG3 ARG 23 -2.534 9.160 -17.028
203 HD2 ARG 23 HD2 ARG 23 -4.357 8.853 -18.234
204 HD3 ARG 23 HD3 ARG 23 -4.238 7.067 -18.111
205 HE ARG 23 HE ARG 23 -5.469 7.761 -15.747
206 HH11 ARG 23 HH12 ARG 23 -6.170 8.097 -19.269
207 HH12 ARG 23 HH11 ARG 23 -7.897 8.141 -18.979
208 HH21 ARG 23 HH22 ARG 23 -7.687 7.790 -15.503
209 HH22 ARG 23 HH21 ARG 23 -8.744 7.939 -16.903
210 H CYS 24 H CYS 24 0.352 8.603 -17.501
211 HA CYS 24 HA CYS 24 -0.452 10.304 -19.785
212 HB2 CYS 24 HB2 CYS 24 0.636 12.097 -18.743
213 HB3 CYS 24 HB3 CYS 24 -0.155 11.203 -17.414
214 H GLY 25 H GLY 25 2.037 7.815 -19.043
215 HA2 GLY 25 HA2 GLY 25 3.607 7.143 -20.651
216 HA3 GLY 25 HA3 GLY 25 3.442 8.679 -21.507
217 H ALA 26 H ALA 26 3.809 10.457 -19.208
218 HA ALA 26 HA ALA 26 6.495 10.782 -19.283
219 HB1 ALA 26 HB1 ALA 26 4.716 12.417 -18.235
220 HB2 ALA 26 HB2 ALA 26 5.056 11.560 -16.698
221 HB3 ALA 26 HB3 ALA 26 6.365 12.410 -17.563
222 H ASP 27 H ASP 27 8.313 10.418 -17.794
223 HA ASP 27 HA ASP 27 8.139 7.774 -16.699
224 HB2 ASP 27 HB2 ASP 27 10.210 8.988 -17.803
225 HB3 ASP 27 HB3 ASP 27 10.525 9.548 -16.138
226 H LYS 28 H LYS 28 8.663 7.187 -14.381
227 HA LYS 28 HA LYS 28 7.178 8.784 -12.516
228 HB2 LYS 28 HB2 LYS 28 8.238 7.444 -10.751
229 HB3 LYS 28 HB3 LYS 28 7.576 6.423 -12.037
230 HG2 LYS 28 HG2 LYS 28 9.566 5.470 -12.592
231 HG3 LYS 28 HG3 LYS 28 10.420 7.028 -12.589
232 HD2 LYS 28 HD2 LYS 28 11.442 5.703 -10.910
233 HD3 LYS 28 HD3 LYS 28 10.528 7.005 -10.103
234 HE2 LYS 28 HE2 LYS 28 8.610 5.283 -9.738
235 HE3 LYS 28 HE3 LYS 28 9.735 4.047 -10.366
236 HZ1 LYS 28 HZ1 LYS 28 9.906 4.068 -7.980
237 HZ2 LYS 28 HZ2 LYS 28 10.020 5.802 -7.922
238 HZ3 LYS 28 HZ3 LYS 28 11.358 4.876 -8.558
239 H PHE 29 H PHE 29 10.519 9.110 -13.723
240 HA PHE 29 HA PHE 29 11.103 10.996 -11.465
241 HB2 PHE 29 HB2 PHE 29 12.643 8.926 -12.783
242 HB3 PHE 29 HB3 PHE 29 13.313 10.467 -13.341
243 HD1 PHE 29 HD2 PHE 29 11.844 8.997 -10.172
244 HD2 PHE 29 HD1 PHE 29 15.125 11.171 -11.902
245 HE1 PHE 29 HE2 PHE 29 12.992 8.995 -7.984
246 HE2 PHE 29 HE1 PHE 29 16.271 11.169 -9.714
247 HZ PHE 29 HZ PHE 29 15.215 10.078 -7.752
248 H ASP 30 H ASP 30 9.311 11.352 -14.112
249 HA ASP 30 HA ASP 30 10.637 13.973 -14.713
250 HB2 ASP 30 HB2 ASP 30 10.637 11.974 -16.454
251 HB3 ASP 30 HB3 ASP 30 8.907 12.386 -16.643
252 HN1 NH2 31 HN1 NH2 31 7.564 12.543 -13.440
253 HN2 NH2 31 HN2 NH2 31 6.690 13.975 -13.774
Start of MODEL 4
1 H1 ACE 0 H1 ACE 0 -1.836 0.264 -0.561
2 H2 ACE 0 H2 ACE 0 -1.798 -1.476 -1.002
3 H3 ACE 0 H3 ACE 0 -2.477 -0.275 -2.145
4 H LYS 1 H LYS 1 0.637 -0.751 -0.245
5 HA LYS 1 HA LYS 1 2.042 0.445 -2.585
6 HB2 LYS 1 HB2 LYS 1 2.375 1.155 -0.064
7 HB3 LYS 1 HB3 LYS 1 3.314 -0.342 0.079
8 HG2 LYS 1 HG2 LYS 1 4.373 0.730 -2.282
9 HG3 LYS 1 HG3 LYS 1 3.883 2.227 -1.462
10 HD2 LYS 1 HD2 LYS 1 5.701 0.030 -0.247
11 HD3 LYS 1 HD3 LYS 1 6.279 1.422 -1.177
12 HE2 LYS 1 HE2 LYS 1 4.624 2.633 0.802
13 HE3 LYS 1 HE3 LYS 1 5.423 1.304 1.677
14 HZ1 LYS 1 HZ1 LYS 1 6.895 3.354 -0.020
15 HZ2 LYS 1 HZ2 LYS 1 7.587 2.153 1.061
16 HZ3 LYS 1 HZ3 LYS 1 6.644 3.490 1.682
17 H PHE 2 H PHE 2 1.056 -1.994 -3.390
18 HA PHE 2 HA PHE 2 2.886 -4.136 -2.514
19 HB2 PHE 2 HB2 PHE 2 0.341 -4.270 -3.011
20 HB3 PHE 2 HB3 PHE 2 0.793 -4.428 -4.717
21 HD1 PHE 2 HD2 PHE 2 3.329 -6.177 -4.442
22 HD2 PHE 2 HD1 PHE 2 -0.450 -6.376 -2.371
23 HE1 PHE 2 HE2 PHE 2 3.679 -8.558 -4.021
24 HE2 PHE 2 HE1 PHE 2 -0.073 -8.764 -1.944
25 HZ PHE 2 HZ PHE 2 1.985 -9.878 -2.774
26 H GLU 3 H GLU 3 4.684 -2.453 -3.427
27 HA GLU 3 HA GLU 3 6.313 -2.184 -4.975
28 HB2 GLU 3 HB2 GLU 3 5.862 -4.773 -4.987
29 HB3 GLU 3 HB3 GLU 3 5.210 -4.540 -6.624
30 HG2 GLU 3 HG2 GLU 3 7.316 -4.382 -7.529
31 HG3 GLU 3 HG3 GLU 3 7.912 -3.287 -6.243
32 H ASP 4 H ASP 4 4.754 -0.171 -5.234
33 HA ASP 4 HA ASP 4 4.390 0.137 -8.153
34 HB2 ASP 4 HB2 ASP 4 2.118 0.744 -6.178
35 HB3 ASP 4 HB3 ASP 4 2.051 0.852 -7.959
36 H TRP 5 H TRP 5 3.651 2.563 -8.575
37 HA TRP 5 HA TRP 5 4.481 4.341 -6.337
38 HB2 TRP 5 HB2 TRP 5 6.011 5.597 -7.997
39 HB3 TRP 5 HB3 TRP 5 6.579 3.981 -7.501
40 HD1 TRP 5 HD1 TRP 5 6.602 2.157 -9.222
41 HE1 TRP 5 HE1 TRP 5 6.468 2.034 -11.811
42 HE3 TRP 5 HE3 TRP 5 4.558 6.745 -10.076
43 HZ2 TRP 5 HZ2 TRP 5 5.821 3.747 -13.889
44 HZ3 TRP 5 HZ3 TRP 5 4.192 7.436 -12.488
45 HH2 TRP 5 HH2 TRP 5 4.984 6.055 -14.292
46 H LEU 6 H LEU 6 4.086 6.693 -6.939
47 HA LEU 6 HA LEU 6 1.477 6.783 -8.379
48 HB2 LEU 6 HB2 LEU 6 1.103 7.390 -6.152
49 HB3 LEU 6 HB3 LEU 6 2.628 8.300 -6.025
50 HG LEU 6 HG LEU 6 1.776 10.100 -7.499
51 HD11 LEU 6 HD11 LEU 6 -0.550 8.156 -7.893
52 HD12 LEU 6 HD12 LEU 6 0.155 9.350 -9.009
53 HD13 LEU 6 HD13 LEU 6 -0.944 9.880 -7.717
54 HD21 LEU 6 HD21 LEU 6 0.156 11.060 -5.943
55 HD22 LEU 6 HD22 LEU 6 1.490 10.267 -5.071
56 HD23 LEU 6 HD23 LEU 6 -0.103 9.453 -5.189
57 H CYS 7 H CYS 7 1.434 7.945 -10.339
58 HA CYS 7 HA CYS 7 3.833 9.227 -11.203
59 HB2 CYS 7 HB2 CYS 7 1.940 8.191 -12.681
60 HB3 CYS 7 HB3 CYS 7 0.950 9.610 -12.228
61 H ASN 8 H ASN 8 4.296 11.465 -11.678
62 HA ASN 8 HA ASN 8 2.982 13.282 -9.697
63 HB2 ASN 8 HB2 ASN 8 5.748 12.811 -10.468
64 HB3 ASN 8 HB3 ASN 8 5.352 14.448 -10.964
65 HD21 ASN 8 HD21 ASN 8 6.068 12.398 -8.184
66 HD22 ASN 8 HD22 ASN 8 5.801 13.642 -7.015
67 H LYS 9 H LYS 9 1.732 12.507 -12.356
68 HA LYS 9 HA LYS 9 1.447 15.296 -13.404
69 HB2 LYS 9 HB2 LYS 9 2.885 13.069 -14.617
70 HB3 LYS 9 HB3 LYS 9 1.411 13.293 -15.574
71 HG2 LYS 9 HG2 LYS 9 3.206 15.698 -14.921
72 HG3 LYS 9 HG3 LYS 9 3.608 14.538 -16.209
73 HD2 LYS 9 HD2 LYS 9 1.448 14.889 -17.333
74 HD3 LYS 9 HD3 LYS 9 0.934 16.077 -16.103
75 HE2 LYS 9 HE2 LYS 9 3.564 16.417 -17.668
76 HE3 LYS 9 HE3 LYS 9 2.021 16.845 -18.431
77 HZ1 LYS 9 HZ1 LYS 9 3.482 18.579 -16.974
78 HZ2 LYS 9 HZ2 LYS 9 2.419 18.010 -15.724
79 HZ3 LYS 9 HZ3 LYS 9 1.757 18.699 -17.181
80 H CYS 10 H CYS 10 0.200 11.931 -14.064
81 HA CYS 10 HA CYS 10 -2.518 13.144 -14.170
82 HB2 CYS 10 HB2 CYS 10 -3.195 11.005 -15.057
83 HB3 CYS 10 HB3 CYS 10 -1.747 11.562 -15.950
84 H CYS 11 H CYS 11 -0.459 11.820 -11.682
85 HA CYS 11 HA CYS 11 -0.955 11.360 -9.580
86 HB2 CYS 11 HB2 CYS 11 -2.736 13.214 -10.129
87 HB3 CYS 11 HB3 CYS 11 -3.916 11.889 -9.871
88 HG CYS 11 HG CYS 11 -3.311 13.201 -7.735
89 H LEU 12 H LEU 12 -1.264 9.226 -11.837
90 HA LEU 12 HA LEU 12 -3.293 7.465 -10.580
91 HB2 LEU 12 HB2 LEU 12 -3.319 8.084 -13.032
92 HB3 LEU 12 HB3 LEU 12 -1.846 7.114 -13.241
93 HG LEU 12 HG LEU 12 -3.609 5.339 -11.863
94 HD11 LEU 12 HD11 LEU 12 -5.333 6.529 -14.048
95 HD12 LEU 12 HD12 LEU 12 -5.465 7.138 -12.365
96 HD13 LEU 12 HD13 LEU 12 -5.784 5.422 -12.735
97 HD21 LEU 12 HD21 LEU 12 -3.162 5.606 -14.841
98 HD22 LEU 12 HD22 LEU 12 -3.830 4.161 -14.035
99 HD23 LEU 12 HD23 LEU 12 -2.144 4.673 -13.718
100 H ASN 13 H ASN 13 -2.611 5.349 -9.855
101 HA ASN 13 HA ASN 13 0.158 5.147 -9.176
102 HB2 ASN 13 HB2 ASN 13 -2.160 3.998 -8.101
103 HB3 ASN 13 HB3 ASN 13 -1.487 2.640 -9.031
104 HD21 ASN 13 HD21 ASN 13 -0.441 5.369 -6.795
105 HD22 ASN 13 HD22 ASN 13 0.626 4.367 -5.871
106 H ASN 14 H ASN 14 1.599 3.217 -9.731
107 HA ASN 14 HA ASN 14 0.831 1.842 -12.215
108 HB2 ASN 14 HB2 ASN 14 3.174 3.775 -12.018
109 HB3 ASN 14 HB3 ASN 14 3.113 2.504 -13.277
110 HD21 ASN 14 HD21 ASN 14 1.654 5.594 -12.169
111 HD22 ASN 14 HD22 ASN 14 0.528 5.708 -13.463
112 H PHE 15 H PHE 15 2.097 -0.022 -12.625
113 HA PHE 15 HA PHE 15 2.963 -1.275 -10.284
114 HB2 PHE 15 HB2 PHE 15 2.664 -2.145 -13.047
115 HB3 PHE 15 HB3 PHE 15 4.303 -2.547 -12.562
116 HD1 PHE 15 HD1 PHE 15 0.682 -2.935 -11.738
117 HD2 PHE 15 HD2 PHE 15 4.667 -4.286 -10.833
118 HE1 PHE 15 HE1 PHE 15 -0.242 -4.930 -10.612
119 HE2 PHE 15 HE2 PHE 15 3.737 -6.263 -9.693
120 HZ PHE 15 HZ PHE 15 1.280 -6.604 -9.594
121 H ARG 16 H ARG 16 5.101 -1.871 -9.465
122 HA ARG 16 HA ARG 16 7.087 0.158 -9.934
123 HB2 ARG 16 HB2 ARG 16 6.959 -2.292 -8.298
124 HB3 ARG 16 HB3 ARG 16 8.578 -2.023 -8.925
125 HG2 ARG 16 HG2 ARG 16 6.939 0.113 -7.394
126 HG3 ARG 16 HG3 ARG 16 8.089 -0.994 -6.638
127 HD2 ARG 16 HD2 ARG 16 9.855 -0.037 -8.445
128 HD3 ARG 16 HD3 ARG 16 8.690 1.260 -8.604
129 HE ARG 16 HE ARG 16 9.198 2.098 -6.558
130 HH11 ARG 16 HH12 ARG 16 10.439 -1.301 -6.697
131 HH12 ARG 16 HH11 ARG 16 11.314 -1.100 -5.194
132 HH21 ARG 16 HH22 ARG 16 10.360 2.222 -4.654
133 HH22 ARG 16 HH21 ARG 16 11.277 0.841 -4.062
134 H LYS 17 H LYS 17 6.561 -2.899 -11.577
135 HA LYS 17 HA LYS 17 9.099 -2.712 -12.990
136 HB2 LYS 17 HB2 LYS 17 6.414 -4.147 -13.574
137 HB3 LYS 17 HB3 LYS 17 7.780 -4.154 -14.721
138 HG2 LYS 17 HG2 LYS 17 9.281 -5.040 -12.873
139 HG3 LYS 17 HG3 LYS 17 7.851 -5.167 -11.824
140 HD2 LYS 17 HD2 LYS 17 7.319 -6.505 -14.429
141 HD3 LYS 17 HD3 LYS 17 8.921 -6.994 -13.843
142 HE2 LYS 17 HE2 LYS 17 7.579 -7.465 -11.531
143 HE3 LYS 17 HE3 LYS 17 6.177 -7.483 -12.638
144 HZ1 LYS 17 HZ1 LYS 17 6.948 -9.709 -12.548
145 HZ2 LYS 17 HZ2 LYS 17 8.626 -9.235 -12.561
146 HZ3 LYS 17 HZ3 LYS 17 7.678 -9.140 -14.027
147 H ARG 18 H ARG 18 6.139 -0.809 -13.225
148 HA ARG 18 HA ARG 18 6.390 -0.500 -16.043
149 HB2 ARG 18 HB2 ARG 18 4.387 0.283 -14.129
150 HB3 ARG 18 HB3 ARG 18 4.965 1.779 -14.871
151 HG2 ARG 18 HG2 ARG 18 4.006 -0.725 -16.333
152 HG3 ARG 18 HG3 ARG 18 2.980 0.694 -15.995
153 HD2 ARG 18 HD2 ARG 18 4.032 2.065 -17.601
154 HD3 ARG 18 HD3 ARG 18 5.576 1.155 -17.418
155 HE ARG 18 HE ARG 18 3.474 -0.429 -18.630
156 HH11 ARG 18 HH12 ARG 18 5.929 2.130 -19.352
157 HH12 ARG 18 HH11 ARG 18 6.153 1.537 -20.984
158 HH21 ARG 18 HH22 ARG 18 3.826 -1.061 -20.743
159 HH22 ARG 18 HH21 ARG 18 4.936 -0.173 -21.782
160 H LEU 19 H LEU 19 8.446 0.303 -16.694
161 HA LEU 19 HA LEU 19 10.031 2.135 -15.372
162 HB2 LEU 19 HB2 LEU 19 10.982 2.767 -17.543
163 HB3 LEU 19 HB3 LEU 19 10.907 1.017 -17.315
164 HG LEU 19 HG LEU 19 8.577 2.257 -18.831
165 HD11 LEU 19 HD11 LEU 19 11.260 1.942 -20.259
166 HD12 LEU 19 HD12 LEU 19 10.616 3.519 -19.740
167 HD13 LEU 19 HD13 LEU 19 9.711 2.552 -20.919
168 HD21 LEU 19 HD21 LEU 19 9.163 0.256 -20.431
169 HD22 LEU 19 HD22 LEU 19 8.500 -0.192 -18.866
170 HD23 LEU 19 HD23 LEU 19 10.261 -0.308 -19.155
171 H LYS 20 H LYS 20 6.990 2.925 -17.085
172 HA LYS 20 HA LYS 20 7.374 5.789 -16.338
173 HB2 LYS 20 HB2 LYS 20 6.657 4.564 -19.092
174 HB3 LYS 20 HB3 LYS 20 6.417 6.287 -18.705
175 HG2 LYS 20 HG2 LYS 20 8.743 6.696 -18.377
176 HG3 LYS 20 HG3 LYS 20 9.174 4.985 -18.609
177 HD2 LYS 20 HD2 LYS 20 8.663 4.988 -20.933
178 HD3 LYS 20 HD3 LYS 20 7.500 6.313 -20.778
179 HE2 LYS 20 HE2 LYS 20 9.149 7.364 -21.927
180 HE3 LYS 20 HE3 LYS 20 9.483 7.909 -20.270
181 HZ1 LYS 20 HZ1 LYS 20 11.413 6.545 -20.147
182 HZ2 LYS 20 HZ2 LYS 20 11.414 7.173 -21.775
183 HZ3 LYS 20 HZ3 LYS 20 10.926 5.535 -21.502
184 H CYS 21 H CYS 21 5.030 6.846 -17.028
185 HA CYS 21 HA CYS 21 3.175 5.212 -15.496
186 HB2 CYS 21 HB2 CYS 21 3.456 7.739 -15.348
187 HB3 CYS 21 HB3 CYS 21 2.782 7.849 -17.005
188 H PHE 22 H PHE 22 1.141 4.275 -16.210
189 HA PHE 22 HA PHE 22 1.133 3.685 -19.130
190 HB2 PHE 22 HB2 PHE 22 0.913 1.992 -17.022
191 HB3 PHE 22 HB3 PHE 22 -0.791 2.501 -17.083
192 HD1 PHE 22 HD2 PHE 22 2.020 1.566 -19.469
193 HD2 PHE 22 HD1 PHE 22 -2.094 0.908 -18.379
194 HE1 PHE 22 HE2 PHE 22 1.756 0.007 -21.364
195 HE2 PHE 22 HE1 PHE 22 -2.255 -0.852 -20.106
196 HZ PHE 22 HZ PHE 22 -0.316 -1.336 -21.580
197 H ARG 23 H ARG 23 0.229 6.332 -17.810
198 HA ARG 23 HA ARG 23 -2.399 6.435 -19.217
199 HB2 ARG 23 HB2 ARG 23 -2.854 6.297 -16.944
200 HB3 ARG 23 HB3 ARG 23 -1.645 7.502 -16.429
201 HG2 ARG 23 HG2 ARG 23 -2.983 9.325 -17.010
202 HG3 ARG 23 HG3 ARG 23 -3.548 8.533 -18.482
203 HD2 ARG 23 HD2 ARG 23 -5.496 8.635 -17.484
204 HD3 ARG 23 HD3 ARG 23 -5.054 7.030 -16.822
205 HE ARG 23 HE ARG 23 -4.155 8.921 -14.959
206 HH11 ARG 23 HH12 ARG 23 -7.320 7.976 -16.376
207 HH12 ARG 23 HH11 ARG 23 -8.206 8.641 -15.017
208 HH21 ARG 23 HH22 ARG 23 -5.384 9.718 -13.246
209 HH22 ARG 23 HH21 ARG 23 -7.140 9.563 -13.264
210 H CYS 24 H CYS 24 0.241 8.602 -17.775
211 HA CYS 24 HA CYS 24 -0.077 10.238 -20.267
212 HB2 CYS 24 HB2 CYS 24 0.905 12.044 -18.969
213 HB3 CYS 24 HB3 CYS 24 -0.426 11.298 -18.020
214 H GLY 25 H GLY 25 1.974 7.613 -19.217
215 HA2 GLY 25 HA2 GLY 25 4.099 7.023 -19.903
216 HA3 GLY 25 HA3 GLY 25 3.754 8.053 -21.306
217 H ALA 26 H ALA 26 3.930 9.511 -17.997
218 HA ALA 26 HA ALA 26 6.344 10.915 -18.933
219 HB1 ALA 26 HB1 ALA 26 4.321 12.159 -18.073
220 HB2 ALA 26 HB2 ALA 26 4.651 11.479 -16.447
221 HB3 ALA 26 HB3 ALA 26 5.857 12.542 -17.236
222 H ASP 27 H ASP 27 8.332 10.827 -17.688
223 HA ASP 27 HA ASP 27 8.772 8.329 -16.411
224 HB2 ASP 27 HB2 ASP 27 10.520 10.016 -17.520
225 HB3 ASP 27 HB3 ASP 27 10.594 10.706 -15.878
226 H LYS 28 H LYS 28 9.506 8.040 -14.071
227 HA LYS 28 HA LYS 28 7.315 8.980 -12.424
228 HB2 LYS 28 HB2 LYS 28 9.981 7.705 -11.559
229 HB3 LYS 28 HB3 LYS 28 8.547 7.904 -10.524
230 HG2 LYS 28 HG2 LYS 28 7.399 6.190 -11.526
231 HG3 LYS 28 HG3 LYS 28 8.022 6.487 -13.145
232 HD2 LYS 28 HD2 LYS 28 8.888 4.412 -12.606
233 HD3 LYS 28 HD3 LYS 28 10.282 5.488 -12.402
234 HE2 LYS 28 HE2 LYS 28 8.509 4.715 -9.991
235 HE3 LYS 28 HE3 LYS 28 9.703 3.571 -10.644
236 HZ1 LYS 28 HZ1 LYS 28 11.467 5.320 -10.288
237 HZ2 LYS 28 HZ2 LYS 28 10.727 4.658 -8.865
238 HZ3 LYS 28 HZ3 LYS 28 10.269 6.251 -9.400
239 H PHE 29 H PHE 29 10.886 9.704 -12.449
240 HA PHE 29 HA PHE 29 10.328 12.035 -10.629
241 HB2 PHE 29 HB2 PHE 29 12.310 9.952 -10.559
242 HB3 PHE 29 HB3 PHE 29 13.184 11.375 -11.121
243 HD1 PHE 29 HD1 PHE 29 10.793 10.087 -8.540
244 HD2 PHE 29 HD2 PHE 29 13.723 13.104 -9.456
245 HE1 PHE 29 HE1 PHE 29 10.804 10.796 -6.170
246 HE2 PHE 29 HE2 PHE 29 13.736 13.804 -7.083
247 HZ PHE 29 HZ PHE 29 12.278 12.655 -5.436
248 H ASP 30 H ASP 30 9.742 11.859 -13.696
249 HA ASP 30 HA ASP 30 10.269 12.979 -15.603
250 HB2 ASP 30 HB2 ASP 30 10.998 15.045 -13.487
251 HB3 ASP 30 HB3 ASP 30 11.116 15.378 -15.230
252 HN1 NH2 31 HN1 NH2 31 12.991 11.591 -13.967
253 HN2 NH2 31 HN2 NH2 31 14.092 12.090 -15.180
Start of MODEL 5
1 H1 ACE 0 H1 ACE 0 6.492 -8.986 -7.421
2 H2 ACE 0 H2 ACE 0 4.905 -9.037 -6.580
3 H3 ACE 0 H3 ACE 0 6.321 -9.887 -5.882
4 H LYS 1 H LYS 1 5.444 -6.519 -7.055
5 HA LYS 1 HA LYS 1 7.133 -5.547 -4.809
6 HB2 LYS 1 HB2 LYS 1 7.375 -5.031 -7.455
7 HB3 LYS 1 HB3 LYS 1 6.305 -3.712 -7.047
8 HG2 LYS 1 HG2 LYS 1 7.941 -2.604 -5.798
9 HG3 LYS 1 HG3 LYS 1 8.673 -4.018 -5.114
10 HD2 LYS 1 HD2 LYS 1 9.150 -3.533 -8.103
11 HD3 LYS 1 HD3 LYS 1 10.034 -2.651 -6.836
12 HE2 LYS 1 HE2 LYS 1 11.383 -4.458 -7.429
13 HE3 LYS 1 HE3 LYS 1 10.759 -4.849 -5.817
14 HZ1 LYS 1 HZ1 LYS 1 9.597 -6.675 -6.617
15 HZ2 LYS 1 HZ2 LYS 1 10.839 -6.593 -7.832
16 HZ3 LYS 1 HZ3 LYS 1 9.299 -5.988 -8.208
17 H PHE 2 H PHE 2 5.810 -5.070 -3.057
18 HA PHE 2 HA PHE 2 3.006 -4.173 -3.578
19 HB2 PHE 2 HB2 PHE 2 2.798 -4.522 -1.047
20 HB3 PHE 2 HB3 PHE 2 3.072 -5.961 -2.042
21 HD1 PHE 2 HD2 PHE 2 4.794 -3.605 0.343
22 HD2 PHE 2 HD1 PHE 2 5.025 -7.342 -1.791
23 HE1 PHE 2 HE2 PHE 2 6.861 -4.172 1.546
24 HE2 PHE 2 HE1 PHE 2 7.066 -7.920 -0.540
25 HZ PHE 2 HZ PHE 2 7.995 -6.341 1.137
26 H GLU 3 H GLU 3 4.898 -2.224 -4.445
27 HA GLU 3 HA GLU 3 4.299 -0.121 -2.458
28 HB2 GLU 3 HB2 GLU 3 6.498 -1.117 -1.726
29 HB3 GLU 3 HB3 GLU 3 7.167 -0.802 -3.343
30 HG2 GLU 3 HG2 GLU 3 7.625 1.386 -2.795
31 HG3 GLU 3 HG3 GLU 3 5.933 1.697 -2.344
32 H ASP 4 H ASP 4 2.959 -0.217 -4.600
33 HA ASP 4 HA ASP 4 4.136 0.603 -7.051
34 HB2 ASP 4 HB2 ASP 4 1.428 1.450 -5.932
35 HB3 ASP 4 HB3 ASP 4 1.828 1.230 -7.668
36 H TRP 5 H TRP 5 3.389 2.932 -8.121
37 HA TRP 5 HA TRP 5 3.955 5.058 -6.081
38 HB2 TRP 5 HB2 TRP 5 5.571 6.044 -7.778
39 HB3 TRP 5 HB3 TRP 5 6.097 4.490 -7.079
40 HD1 TRP 5 HD1 TRP 5 6.556 2.614 -8.715
41 HE1 TRP 5 HE1 TRP 5 6.391 2.243 -11.255
42 HE3 TRP 5 HE3 TRP 5 4.035 6.872 -9.929
43 HZ2 TRP 5 HZ2 TRP 5 5.568 3.707 -13.491
44 HZ3 TRP 5 HZ3 TRP 5 3.467 7.250 -12.351
45 HH2 TRP 5 HH2 TRP 5 4.327 5.756 -14.058
46 H LEU 6 H LEU 6 3.530 7.300 -6.995
47 HA LEU 6 HA LEU 6 1.189 7.150 -8.840
48 HB2 LEU 6 HB2 LEU 6 1.720 9.030 -6.493
49 HB3 LEU 6 HB3 LEU 6 0.529 9.311 -7.785
50 HG LEU 6 HG LEU 6 -0.073 6.666 -6.946
51 HD11 LEU 6 HD11 LEU 6 -0.311 6.689 -4.520
52 HD12 LEU 6 HD12 LEU 6 0.542 8.259 -4.424
53 HD13 LEU 6 HD13 LEU 6 1.398 6.795 -5.017
54 HD21 LEU 6 HD21 LEU 6 -2.059 7.887 -5.717
55 HD22 LEU 6 HD22 LEU 6 -1.870 8.077 -7.478
56 HD23 LEU 6 HD23 LEU 6 -1.354 9.387 -6.371
57 H CYS 7 H CYS 7 1.325 8.243 -10.790
58 HA CYS 7 HA CYS 7 3.807 9.352 -11.462
59 HB2 CYS 7 HB2 CYS 7 1.889 8.686 -13.140
60 HB3 CYS 7 HB3 CYS 7 1.106 10.199 -12.665
61 H ASN 8 H ASN 8 4.463 11.591 -11.849
62 HA ASN 8 HA ASN 8 3.211 13.427 -9.861
63 HB2 ASN 8 HB2 ASN 8 5.955 12.798 -10.678
64 HB3 ASN 8 HB3 ASN 8 5.666 14.491 -11.066
65 HD21 ASN 8 HD21 ASN 8 7.416 13.192 -8.917
66 HD22 ASN 8 HD22 ASN 8 6.846 13.926 -7.462
67 H LYS 9 H LYS 9 2.029 12.773 -12.589
68 HA LYS 9 HA LYS 9 1.822 15.598 -13.498
69 HB2 LYS 9 HB2 LYS 9 3.262 13.462 -14.797
70 HB3 LYS 9 HB3 LYS 9 1.751 13.571 -15.711
71 HG2 LYS 9 HG2 LYS 9 3.240 16.172 -15.165
72 HG3 LYS 9 HG3 LYS 9 4.012 15.003 -16.255
73 HD2 LYS 9 HD2 LYS 9 1.887 14.918 -17.652
74 HD3 LYS 9 HD3 LYS 9 1.235 16.245 -16.645
75 HE2 LYS 9 HE2 LYS 9 3.755 16.244 -18.440
76 HE3 LYS 9 HE3 LYS 9 2.227 17.120 -18.729
77 HZ1 LYS 9 HZ1 LYS 9 4.318 17.688 -16.614
78 HZ2 LYS 9 HZ2 LYS 9 2.703 18.399 -16.600
79 HZ3 LYS 9 HZ3 LYS 9 3.815 18.682 -17.924
80 H CYS 10 H CYS 10 0.442 12.255 -14.163
81 HA CYS 10 HA CYS 10 -2.225 13.595 -14.134
82 HB2 CYS 10 HB2 CYS 10 -3.001 11.578 -15.146
83 HB3 CYS 10 HB3 CYS 10 -1.592 12.159 -16.095
84 H CYS 11 H CYS 11 -0.142 12.101 -11.781
85 HA CYS 11 HA CYS 11 -0.570 11.164 -9.786
86 HB2 CYS 11 HB2 CYS 11 -2.293 13.219 -9.964
87 HB3 CYS 11 HB3 CYS 11 -3.513 11.911 -9.920
88 HG CYS 11 HG CYS 11 -1.284 12.263 -7.797
89 H LEU 12 H LEU 12 -1.131 9.554 -12.354
90 HA LEU 12 HA LEU 12 -3.302 7.803 -11.541
91 HB2 LEU 12 HB2 LEU 12 -2.829 8.322 -13.929
92 HB3 LEU 12 HB3 LEU 12 -1.236 7.543 -13.732
93 HG LEU 12 HG LEU 12 -2.920 5.535 -12.837
94 HD11 LEU 12 HD11 LEU 12 -4.655 6.160 -15.167
95 HD12 LEU 12 HD12 LEU 12 -4.871 7.288 -13.809
96 HD13 LEU 12 HD13 LEU 12 -5.060 5.542 -13.558
97 HD21 LEU 12 HD21 LEU 12 -2.819 4.920 -15.617
98 HD22 LEU 12 HD22 LEU 12 -1.634 4.544 -14.367
99 HD23 LEU 12 HD23 LEU 12 -1.446 6.001 -15.358
100 H ASN 13 H ASN 13 -2.870 6.123 -10.078
101 HA ASN 13 HA ASN 13 -0.210 5.524 -9.194
102 HB2 ASN 13 HB2 ASN 13 -1.615 4.982 -7.472
103 HB3 ASN 13 HB3 ASN 13 -2.953 4.513 -8.526
104 HD21 ASN 13 HD21 ASN 13 0.072 3.228 -7.048
105 HD22 ASN 13 HD22 ASN 13 -0.467 1.593 -7.354
106 H ASN 14 H ASN 14 1.239 3.753 -9.648
107 HA ASN 14 HA ASN 14 0.236 1.861 -11.695
108 HB2 ASN 14 HB2 ASN 14 2.669 3.697 -11.928
109 HB3 ASN 14 HB3 ASN 14 2.514 2.231 -12.890
110 HD21 ASN 14 HD21 ASN 14 1.592 5.589 -12.786
111 HD22 ASN 14 HD22 ASN 14 0.548 5.517 -14.136
112 H PHE 15 H PHE 15 1.024 -0.218 -11.298
113 HA PHE 15 HA PHE 15 2.285 -0.845 -9.030
114 HB2 PHE 15 HB2 PHE 15 1.754 -2.373 -11.479
115 HB3 PHE 15 HB3 PHE 15 3.339 -2.800 -10.846
116 HD1 PHE 15 HD2 PHE 15 -0.293 -2.577 -9.982
117 HD2 PHE 15 HD1 PHE 15 3.576 -3.952 -8.686
118 HE1 PHE 15 HE2 PHE 15 -1.367 -4.049 -8.313
119 HE2 PHE 15 HE1 PHE 15 2.490 -5.436 -7.040
120 HZ PHE 15 HZ PHE 15 0.020 -5.491 -6.845
121 H ARG 16 H ARG 16 4.411 -1.378 -8.317
122 HA ARG 16 HA ARG 16 6.372 0.488 -9.262
123 HB2 ARG 16 HB2 ARG 16 6.194 -1.355 -7.017
124 HB3 ARG 16 HB3 ARG 16 7.640 -1.787 -7.971
125 HG2 ARG 16 HG2 ARG 16 7.047 1.045 -6.998
126 HG3 ARG 16 HG3 ARG 16 7.839 -0.165 -5.966
127 HD2 ARG 16 HD2 ARG 16 9.770 -0.331 -7.580
128 HD3 ARG 16 HD3 ARG 16 8.883 0.703 -8.702
129 HE ARG 16 HE ARG 16 9.391 2.577 -7.537
130 HH11 ARG 16 HH12 ARG 16 10.053 -0.213 -5.337
131 HH12 ARG 16 HH11 ARG 16 10.744 0.840 -4.121
132 HH21 ARG 16 HH22 ARG 16 10.324 3.801 -5.888
133 HH22 ARG 16 HH21 ARG 16 10.912 3.039 -4.428
134 H LYS 17 H LYS 17 5.723 -2.852 -10.060
135 HA LYS 17 HA LYS 17 7.969 -3.569 -11.484
136 HB2 LYS 17 HB2 LYS 17 5.347 -4.586 -11.346
137 HB3 LYS 17 HB3 LYS 17 5.332 -3.911 -12.982
138 HG2 LYS 17 HG2 LYS 17 7.312 -5.956 -11.764
139 HG3 LYS 17 HG3 LYS 17 5.897 -6.317 -12.782
140 HD2 LYS 17 HD2 LYS 17 7.240 -4.539 -14.445
141 HD3 LYS 17 HD3 LYS 17 8.614 -5.225 -13.540
142 HE2 LYS 17 HE2 LYS 17 8.457 -6.729 -15.341
143 HE3 LYS 17 HE3 LYS 17 7.388 -7.570 -14.189
144 HZ1 LYS 17 HZ1 LYS 17 5.444 -6.433 -15.284
145 HZ2 LYS 17 HZ2 LYS 17 6.384 -7.380 -16.416
146 HZ3 LYS 17 HZ3 LYS 17 6.545 -5.659 -16.404
147 H ARG 18 H ARG 18 5.560 -1.063 -12.350
148 HA ARG 18 HA ARG 18 6.409 -0.914 -15.105
149 HB2 ARG 18 HB2 ARG 18 4.267 0.145 -13.631
150 HB3 ARG 18 HB3 ARG 18 5.276 1.548 -13.870
151 HG2 ARG 18 HG2 ARG 18 3.959 1.772 -15.744
152 HG3 ARG 18 HG3 ARG 18 5.158 0.692 -16.483
153 HD2 ARG 18 HD2 ARG 18 2.967 -0.033 -17.044
154 HD3 ARG 18 HD3 ARG 18 3.644 -1.269 -15.921
155 HE ARG 18 HE ARG 18 2.234 0.525 -14.294
156 HH11 ARG 18 HH12 ARG 18 1.290 -1.545 -17.052
157 HH12 ARG 18 HH11 ARG 18 -0.363 -1.659 -16.461
158 HH21 ARG 18 HH22 ARG 18 0.163 0.278 -13.595
159 HH22 ARG 18 HH21 ARG 18 -0.979 -0.682 -14.521
160 H LEU 19 H LEU 19 7.405 1.075 -16.011
161 HA LEU 19 HA LEU 19 9.444 2.322 -14.190
162 HB2 LEU 19 HB2 LEU 19 10.756 2.744 -16.252
163 HB3 LEU 19 HB3 LEU 19 10.676 1.048 -15.747
164 HG LEU 19 HG LEU 19 8.616 1.917 -17.803
165 HD11 LEU 19 HD11 LEU 19 11.366 1.242 -18.879
166 HD12 LEU 19 HD12 LEU 19 10.910 2.931 -18.575
167 HD13 LEU 19 HD13 LEU 19 9.933 1.945 -19.687
168 HD21 LEU 19 HD21 LEU 19 8.699 -0.513 -17.011
169 HD22 LEU 19 HD22 LEU 19 10.403 -0.591 -17.497
170 HD23 LEU 19 HD23 LEU 19 9.134 -0.372 -18.730
171 H LYS 20 H LYS 20 6.838 3.102 -16.716
172 HA LYS 20 HA LYS 20 7.192 5.862 -15.817
173 HB2 LYS 20 HB2 LYS 20 7.020 5.006 -18.782
174 HB3 LYS 20 HB3 LYS 20 7.204 6.674 -18.186
175 HG2 LYS 20 HG2 LYS 20 9.515 5.944 -17.244
176 HG3 LYS 20 HG3 LYS 20 9.175 4.355 -17.929
177 HD2 LYS 20 HD2 LYS 20 10.572 5.189 -19.525
178 HD3 LYS 20 HD3 LYS 20 8.993 5.511 -20.274
179 HE2 LYS 20 HE2 LYS 20 10.547 7.584 -18.617
180 HE3 LYS 20 HE3 LYS 20 10.928 7.299 -20.309
181 HZ1 LYS 20 HZ1 LYS 20 9.022 9.054 -19.369
182 HZ2 LYS 20 HZ2 LYS 20 8.047 7.813 -20.101
183 HZ3 LYS 20 HZ3 LYS 20 9.280 8.614 -20.996
184 H CYS 21 H CYS 21 5.246 7.139 -16.293
185 HA CYS 21 HA CYS 21 2.946 5.544 -15.769
186 HB2 CYS 21 HB2 CYS 21 3.236 7.936 -15.123
187 HB3 CYS 21 HB3 CYS 21 3.066 8.405 -16.850
188 H PHE 22 H PHE 22 1.530 4.460 -17.116
189 HA PHE 22 HA PHE 22 2.203 4.410 -19.958
190 HB2 PHE 22 HB2 PHE 22 1.392 2.470 -18.344
191 HB3 PHE 22 HB3 PHE 22 -0.239 3.129 -18.620
192 HD1 PHE 22 HD2 PHE 22 2.805 1.583 -20.121
193 HD2 PHE 22 HD1 PHE 22 -1.232 2.854 -20.909
194 HE1 PHE 22 HE2 PHE 22 2.808 0.285 -22.221
195 HE2 PHE 22 HE1 PHE 22 -1.223 1.551 -23.014
196 HZ PHE 22 HZ PHE 22 0.794 0.265 -23.673
197 H ARG 23 H ARG 23 -0.030 6.214 -17.860
198 HA ARG 23 HA ARG 23 -2.006 6.712 -19.868
199 HB2 ARG 23 HB2 ARG 23 -2.262 6.857 -17.300
200 HB3 ARG 23 HB3 ARG 23 -1.451 8.431 -17.395
201 HG2 ARG 23 HG2 ARG 23 -3.363 8.837 -19.257
202 HG3 ARG 23 HG3 ARG 23 -4.152 7.465 -18.455
203 HD2 ARG 23 HD2 ARG 23 -3.226 9.511 -16.477
204 HD3 ARG 23 HD3 ARG 23 -4.211 10.228 -17.779
205 HE ARG 23 HE ARG 23 -5.392 7.849 -16.532
206 HH11 ARG 23 HH12 ARG 23 -5.000 11.406 -16.100
207 HH12 ARG 23 HH11 ARG 23 -6.245 11.457 -14.874
208 HH21 ARG 23 HH22 ARG 23 -7.000 8.051 -14.987
209 HH22 ARG 23 HH21 ARG 23 -7.385 9.624 -14.299
210 H CYS 24 H CYS 24 0.502 9.034 -18.351
211 HA CYS 24 HA CYS 24 0.066 10.761 -20.706
212 HB2 CYS 24 HB2 CYS 24 1.424 12.422 -19.576
213 HB3 CYS 24 HB3 CYS 24 0.102 11.850 -18.510
214 H GLY 25 H GLY 25 2.343 8.174 -19.619
215 HA2 GLY 25 HA2 GLY 25 3.918 7.262 -21.098
216 HA3 GLY 25 HA3 GLY 25 3.908 8.738 -22.070
217 H ALA 26 H ALA 26 4.045 10.043 -19.018
218 HA ALA 26 HA ALA 26 6.859 10.534 -19.424
219 HB1 ALA 26 HB1 ALA 26 5.390 11.684 -17.034
220 HB2 ALA 26 HB2 ALA 26 6.614 12.424 -18.103
221 HB3 ALA 26 HB3 ALA 26 4.934 12.262 -18.666
222 H ASP 27 H ASP 27 8.382 10.426 -17.580
223 HA ASP 27 HA ASP 27 8.243 7.832 -16.417
224 HB2 ASP 27 HB2 ASP 27 10.391 9.283 -17.012
225 HB3 ASP 27 HB3 ASP 27 10.216 9.839 -15.335
226 H LYS 28 H LYS 28 8.190 7.270 -14.107
227 HA LYS 28 HA LYS 28 6.249 8.734 -12.579
228 HB2 LYS 28 HB2 LYS 28 6.935 7.275 -10.690
229 HB3 LYS 28 HB3 LYS 28 6.726 6.387 -12.212
230 HG2 LYS 28 HG2 LYS 28 8.764 5.446 -12.046
231 HG3 LYS 28 HG3 LYS 28 9.487 7.058 -12.219
232 HD2 LYS 28 HD2 LYS 28 10.509 6.456 -10.308
233 HD3 LYS 28 HD3 LYS 28 9.104 7.396 -9.717
234 HE2 LYS 28 HE2 LYS 28 7.870 5.297 -9.324
235 HE3 LYS 28 HE3 LYS 28 9.235 4.317 -9.930
236 HZ1 LYS 28 HZ1 LYS 28 9.913 6.298 -7.787
237 HZ2 LYS 28 HZ2 LYS 28 10.513 4.726 -8.113
238 HZ3 LYS 28 HZ3 LYS 28 8.878 5.002 -7.342
239 H PHE 29 H PHE 29 9.754 9.265 -13.046
240 HA PHE 29 HA PHE 29 9.657 11.275 -10.811
241 HB2 PHE 29 HB2 PHE 29 11.457 9.068 -11.371
242 HB3 PHE 29 HB3 PHE 29 12.345 10.529 -11.817
243 HD1 PHE 29 HD2 PHE 29 9.869 9.478 -9.147
244 HD2 PHE 29 HD1 PHE 29 13.653 11.348 -9.959
245 HE1 PHE 29 HE2 PHE 29 10.307 9.619 -6.725
246 HE2 PHE 29 HE1 PHE 29 14.058 11.555 -7.532
247 HZ PHE 29 HZ PHE 29 12.400 10.679 -5.907
248 H ASP 30 H ASP 30 8.607 11.616 -13.686
249 HA ASP 30 HA ASP 30 10.504 13.864 -14.359
250 HB2 ASP 30 HB2 ASP 30 10.797 12.064 -16.021
251 HB3 ASP 30 HB3 ASP 30 9.010 11.924 -16.111
252 HN1 NH2 31 HN1 NH2 31 9.343 15.848 -14.859
253 HN2 NH2 31 HN2 NH2 31 7.618 15.929 -14.751
Start of MODEL 6
1 H1 ACE 0 H1 ACE 0 -2.093 -4.655 -0.650
2 H2 ACE 0 H2 ACE 0 -0.699 -4.476 0.467
3 H3 ACE 0 H3 ACE 0 -0.895 -5.978 -0.493
4 H LYS 1 H LYS 1 -0.754 -2.365 -1.071
5 HA LYS 1 HA LYS 1 0.533 -2.974 -3.687
6 HB2 LYS 1 HB2 LYS 1 -1.510 -1.349 -3.116
7 HB3 LYS 1 HB3 LYS 1 -0.238 -0.184 -2.700
8 HG2 LYS 1 HG2 LYS 1 0.600 -0.161 -4.894
9 HG3 LYS 1 HG3 LYS 1 -0.224 -1.656 -5.438
10 HD2 LYS 1 HD2 LYS 1 -1.783 0.800 -4.556
11 HD3 LYS 1 HD3 LYS 1 -1.197 0.623 -6.222
12 HE2 LYS 1 HE2 LYS 1 -2.679 -1.807 -5.123
13 HE3 LYS 1 HE3 LYS 1 -3.643 -0.326 -5.293
14 HZ1 LYS 1 HZ1 LYS 1 -2.700 -0.275 -7.733
15 HZ2 LYS 1 HZ2 LYS 1 -3.925 -1.410 -7.301
16 HZ3 LYS 1 HZ3 LYS 1 -2.262 -1.932 -7.416
17 H PHE 2 H PHE 2 2.293 -3.839 -1.934
18 HA PHE 2 HA PHE 2 3.935 -1.563 -0.948
19 HB2 PHE 2 HB2 PHE 2 3.284 -3.883 0.264
20 HB3 PHE 2 HB3 PHE 2 4.746 -4.458 -0.545
21 HD1 PHE 2 HD1 PHE 2 6.966 -3.147 -0.023
22 HD2 PHE 2 HD2 PHE 2 3.314 -2.444 2.153
23 HE1 PHE 2 HE1 PHE 2 8.232 -2.000 1.747
24 HE2 PHE 2 HE2 PHE 2 4.605 -1.395 3.966
25 HZ PHE 2 HZ PHE 2 7.068 -1.151 3.768
26 H GLU 3 H GLU 3 3.680 -1.886 -3.962
27 HA GLU 3 HA GLU 3 6.474 -1.976 -4.531
28 HB2 GLU 3 HB2 GLU 3 5.991 -4.473 -4.228
29 HB3 GLU 3 HB3 GLU 3 4.755 -4.365 -5.493
30 HG2 GLU 3 HG2 GLU 3 6.371 -4.308 -7.185
31 HG3 GLU 3 HG3 GLU 3 7.514 -3.329 -6.184
32 H ASP 4 H ASP 4 4.916 0.142 -5.012
33 HA ASP 4 HA ASP 4 4.513 0.111 -7.957
34 HB2 ASP 4 HB2 ASP 4 2.294 0.836 -6.018
35 HB3 ASP 4 HB3 ASP 4 2.164 0.836 -7.789
36 H TRP 5 H TRP 5 3.660 2.542 -8.539
37 HA TRP 5 HA TRP 5 4.526 4.488 -6.471
38 HB2 TRP 5 HB2 TRP 5 6.069 5.601 -8.181
39 HB3 TRP 5 HB3 TRP 5 6.612 3.981 -7.668
40 HD1 TRP 5 HD1 TRP 5 6.580 2.130 -9.392
41 HE1 TRP 5 HE1 TRP 5 6.326 1.973 -11.960
42 HE3 TRP 5 HE3 TRP 5 4.651 6.752 -10.207
43 HZ2 TRP 5 HZ2 TRP 5 5.527 3.649 -14.040
44 HZ3 TRP 5 HZ3 TRP 5 4.165 7.452 -12.581
45 HH2 TRP 5 HH2 TRP 5 4.812 6.004 -14.430
46 H LEU 6 H LEU 6 4.079 6.826 -7.318
47 HA LEU 6 HA LEU 6 1.650 6.673 -9.017
48 HB2 LEU 6 HB2 LEU 6 0.445 8.022 -7.555
49 HB3 LEU 6 HB3 LEU 6 1.445 7.064 -6.459
50 HG LEU 6 HG LEU 6 3.202 9.129 -6.807
51 HD11 LEU 6 HD11 LEU 6 2.368 11.032 -7.782
52 HD12 LEU 6 HD12 LEU 6 1.017 11.082 -6.627
53 HD13 LEU 6 HD13 LEU 6 0.842 10.189 -8.147
54 HD21 LEU 6 HD21 LEU 6 2.350 8.336 -4.651
55 HD22 LEU 6 HD22 LEU 6 0.929 9.415 -4.829
56 HD23 LEU 6 HD23 LEU 6 2.588 10.098 -4.760
57 H CYS 7 H CYS 7 1.215 8.366 -10.513
58 HA CYS 7 HA CYS 7 3.774 9.439 -11.443
59 HB2 CYS 7 HB2 CYS 7 2.031 8.454 -12.987
60 HB3 CYS 7 HB3 CYS 7 0.919 9.778 -12.519
61 H ASN 8 H ASN 8 4.306 11.705 -11.676
62 HA ASN 8 HA ASN 8 2.863 13.391 -9.684
63 HB2 ASN 8 HB2 ASN 8 5.648 13.036 -10.399
64 HB3 ASN 8 HB3 ASN 8 5.234 14.686 -10.840
65 HD21 ASN 8 HD21 ASN 8 6.464 12.913 -8.244
66 HD22 ASN 8 HD22 ASN 8 5.909 13.958 -6.990
67 H LYS 9 H LYS 9 1.712 12.747 -12.406
68 HA LYS 9 HA LYS 9 1.390 15.562 -13.304
69 HB2 LYS 9 HB2 LYS 9 2.898 13.638 -14.768
70 HB3 LYS 9 HB3 LYS 9 1.280 13.466 -15.478
71 HG2 LYS 9 HG2 LYS 9 2.249 15.163 -16.818
72 HG3 LYS 9 HG3 LYS 9 1.222 16.034 -15.655
73 HD2 LYS 9 HD2 LYS 9 3.586 15.920 -14.212
74 HD3 LYS 9 HD3 LYS 9 4.281 15.777 -15.834
75 HE2 LYS 9 HE2 LYS 9 3.804 18.000 -16.368
76 HE3 LYS 9 HE3 LYS 9 2.315 18.072 -15.391
77 HZ1 LYS 9 HZ1 LYS 9 4.993 17.850 -14.034
78 HZ2 LYS 9 HZ2 LYS 9 3.446 18.339 -13.392
79 HZ3 LYS 9 HZ3 LYS 9 4.302 19.375 -14.510
80 H CYS 10 H CYS 10 0.111 12.194 -13.893
81 HA CYS 10 HA CYS 10 -2.624 13.402 -13.848
82 HB2 CYS 10 HB2 CYS 10 -3.281 11.368 -14.963
83 HB3 CYS 10 HB3 CYS 10 -1.901 12.087 -15.831
84 H CYS 11 H CYS 11 -0.470 11.991 -11.524
85 HA CYS 11 HA CYS 11 -0.912 11.202 -9.472
86 HB2 CYS 11 HB2 CYS 11 -2.961 13.013 -10.017
87 HB3 CYS 11 HB3 CYS 11 -3.867 11.569 -9.480
88 HG CYS 11 HG CYS 11 -3.207 13.068 -7.543
89 H LEU 12 H LEU 12 -1.264 9.371 -11.979
90 HA LEU 12 HA LEU 12 -3.237 7.459 -10.928
91 HB2 LEU 12 HB2 LEU 12 -3.002 8.125 -13.336
92 HB3 LEU 12 HB3 LEU 12 -1.422 7.316 -13.371
93 HG LEU 12 HG LEU 12 -3.004 5.267 -12.408
94 HD11 LEU 12 HD11 LEU 12 -5.239 5.236 -13.002
95 HD12 LEU 12 HD12 LEU 12 -5.063 6.458 -14.279
96 HD13 LEU 12 HD13 LEU 12 -5.048 6.955 -12.571
97 HD21 LEU 12 HD21 LEU 12 -1.895 5.836 -15.025
98 HD22 LEU 12 HD22 LEU 12 -3.454 4.985 -15.199
99 HD23 LEU 12 HD23 LEU 12 -2.152 4.295 -14.208
100 H ASN 13 H ASN 13 -2.607 5.337 -10.175
101 HA ASN 13 HA ASN 13 0.118 5.125 -9.258
102 HB2 ASN 13 HB2 ASN 13 -2.306 3.948 -8.399
103 HB3 ASN 13 HB3 ASN 13 -1.388 2.604 -9.100
104 HD21 ASN 13 HD21 ASN 13 -1.416 5.181 -6.562
105 HD22 ASN 13 HD22 ASN 13 -0.109 4.494 -5.665
106 H ASN 14 H ASN 14 1.517 3.124 -9.698
107 HA ASN 14 HA ASN 14 0.839 1.660 -12.131
108 HB2 ASN 14 HB2 ASN 14 2.987 3.793 -11.987
109 HB3 ASN 14 HB3 ASN 14 3.258 2.405 -13.066
110 HD21 ASN 14 HD21 ASN 14 1.934 5.575 -13.098
111 HD22 ASN 14 HD22 ASN 14 0.797 5.300 -14.366
112 H PHE 15 H PHE 15 2.026 -0.271 -12.322
113 HA PHE 15 HA PHE 15 3.086 -1.386 -10.093
114 HB2 PHE 15 HB2 PHE 15 2.911 -2.232 -12.918
115 HB3 PHE 15 HB3 PHE 15 4.498 -2.639 -12.301
116 HD1 PHE 15 HD1 PHE 15 4.745 -4.208 -10.377
117 HD2 PHE 15 HD2 PHE 15 0.849 -3.216 -11.917
118 HE1 PHE 15 HE1 PHE 15 3.804 -6.173 -9.247
119 HE2 PHE 15 HE2 PHE 15 -0.085 -5.208 -10.791
120 HZ PHE 15 HZ PHE 15 1.386 -6.694 -9.457
121 H ARG 16 H ARG 16 5.202 -1.879 -9.294
122 HA ARG 16 HA ARG 16 7.257 0.126 -9.821
123 HB2 ARG 16 HB2 ARG 16 7.029 -2.304 -8.121
124 HB3 ARG 16 HB3 ARG 16 8.674 -1.922 -8.573
125 HG2 ARG 16 HG2 ARG 16 6.810 0.166 -7.302
126 HG3 ARG 16 HG3 ARG 16 7.913 -0.867 -6.365
127 HD2 ARG 16 HD2 ARG 16 9.369 0.374 -8.599
128 HD3 ARG 16 HD3 ARG 16 8.552 1.639 -7.702
129 HE ARG 16 HE ARG 16 10.771 -0.107 -6.887
130 HH11 ARG 16 HH12 ARG 16 7.996 1.766 -5.533
131 HH12 ARG 16 HH11 ARG 16 8.831 2.015 -4.011
132 HH21 ARG 16 HH22 ARG 16 11.712 0.226 -4.886
133 HH22 ARG 16 HH21 ARG 16 10.876 1.143 -3.636
134 H LYS 17 H LYS 17 6.658 -3.066 -11.154
135 HA LYS 17 HA LYS 17 9.262 -3.249 -12.358
136 HB2 LYS 17 HB2 LYS 17 6.599 -4.685 -12.733
137 HB3 LYS 17 HB3 LYS 17 7.552 -4.507 -14.212
138 HG2 LYS 17 HG2 LYS 17 8.164 -6.615 -13.138
139 HG3 LYS 17 HG3 LYS 17 9.535 -5.486 -13.109
140 HD2 LYS 17 HD2 LYS 17 8.379 -4.853 -10.670
141 HD3 LYS 17 HD3 LYS 17 7.763 -6.498 -10.821
142 HE2 LYS 17 HE2 LYS 17 10.760 -5.725 -11.074
143 HE3 LYS 17 HE3 LYS 17 9.960 -6.025 -9.518
144 HZ1 LYS 17 HZ1 LYS 17 10.667 -7.992 -11.651
145 HZ2 LYS 17 HZ2 LYS 17 9.290 -8.326 -10.615
146 HZ3 LYS 17 HZ3 LYS 17 10.846 -8.062 -9.916
147 H ARG 18 H ARG 18 6.627 -1.038 -13.032
148 HA ARG 18 HA ARG 18 7.400 -0.851 -15.845
149 HB2 ARG 18 HB2 ARG 18 5.168 0.210 -14.159
150 HB3 ARG 18 HB3 ARG 18 5.980 1.504 -15.010
151 HG2 ARG 18 HG2 ARG 18 5.639 -0.226 -17.141
152 HG3 ARG 18 HG3 ARG 18 4.380 -0.847 -16.050
153 HD2 ARG 18 HD2 ARG 18 3.976 2.017 -16.012
154 HD3 ARG 18 HD3 ARG 18 4.570 1.653 -17.635
155 HE ARG 18 HE ARG 18 2.589 0.637 -18.147
156 HH11 ARG 18 HH12 ARG 18 2.905 0.671 -14.572
157 HH12 ARG 18 HH11 ARG 18 1.196 0.355 -14.354
158 HH21 ARG 18 HH22 ARG 18 0.422 0.121 -17.730
159 HH22 ARG 18 HH21 ARG 18 -0.156 -0.022 -16.073
160 H LEU 19 H LEU 19 7.974 1.353 -16.775
161 HA LEU 19 HA LEU 19 9.552 3.042 -14.864
162 HB2 LEU 19 HB2 LEU 19 10.335 1.823 -17.583
163 HB3 LEU 19 HB3 LEU 19 11.294 3.131 -16.850
164 HG LEU 19 HG LEU 19 10.832 0.518 -15.325
165 HD11 LEU 19 HD11 LEU 19 13.069 1.152 -17.327
166 HD12 LEU 19 HD12 LEU 19 11.828 -0.132 -17.469
167 HD13 LEU 19 HD13 LEU 19 13.059 -0.225 -16.179
168 HD21 LEU 19 HD21 LEU 19 12.832 1.236 -14.086
169 HD22 LEU 19 HD22 LEU 19 11.712 2.619 -14.090
170 HD23 LEU 19 HD23 LEU 19 13.106 2.603 -15.204
171 H LYS 20 H LYS 20 6.762 3.349 -16.245
172 HA LYS 20 HA LYS 20 7.207 6.003 -16.822
173 HB2 LYS 20 HB2 LYS 20 6.631 6.066 -19.303
174 HB3 LYS 20 HB3 LYS 20 8.258 5.449 -18.968
175 HG2 LYS 20 HG2 LYS 20 7.067 3.036 -18.983
176 HG3 LYS 20 HG3 LYS 20 5.749 3.923 -19.796
177 HD2 LYS 20 HD2 LYS 20 7.750 4.839 -21.354
178 HD3 LYS 20 HD3 LYS 20 8.652 3.454 -20.660
179 HE2 LYS 20 HE2 LYS 20 6.834 1.917 -21.487
180 HE3 LYS 20 HE3 LYS 20 5.963 3.323 -22.164
181 HZ1 LYS 20 HZ1 LYS 20 7.262 3.349 -23.998
182 HZ2 LYS 20 HZ2 LYS 20 7.887 1.801 -23.494
183 HZ3 LYS 20 HZ3 LYS 20 8.740 3.260 -23.104
184 H CYS 21 H CYS 21 5.201 7.160 -16.954
185 HA CYS 21 HA CYS 21 3.104 5.575 -15.850
186 HB2 CYS 21 HB2 CYS 21 3.517 8.039 -15.408
187 HB3 CYS 21 HB3 CYS 21 2.938 8.396 -17.071
188 H PHE 22 H PHE 22 1.276 4.563 -16.804
189 HA PHE 22 HA PHE 22 1.428 4.391 -19.767
190 HB2 PHE 22 HB2 PHE 22 1.111 2.503 -17.884
191 HB3 PHE 22 HB3 PHE 22 -0.606 2.902 -18.055
192 HD1 PHE 22 HD2 PHE 22 2.520 2.226 -20.108
193 HD2 PHE 22 HD1 PHE 22 -1.740 1.648 -19.815
194 HE1 PHE 22 HE2 PHE 22 2.582 0.752 -22.084
195 HE2 PHE 22 HE1 PHE 22 -1.666 0.177 -21.799
196 HZ PHE 22 HZ PHE 22 0.489 -0.270 -22.944
197 H ARG 23 H ARG 23 0.081 6.649 -17.794
198 HA ARG 23 HA ARG 23 -2.473 6.778 -19.330
199 HB2 ARG 23 HB2 ARG 23 -2.832 6.543 -17.039
200 HB3 ARG 23 HB3 ARG 23 -1.665 7.800 -16.537
201 HG2 ARG 23 HG2 ARG 23 -3.065 9.580 -17.115
202 HG3 ARG 23 HG3 ARG 23 -3.756 8.705 -18.488
203 HD2 ARG 23 HD2 ARG 23 -5.595 8.770 -17.264
204 HD3 ARG 23 HD3 ARG 23 -4.997 7.205 -16.639
205 HE ARG 23 HE ARG 23 -3.971 9.232 -14.964
206 HH11 ARG 23 HH12 ARG 23 -7.204 7.991 -15.882
207 HH12 ARG 23 HH11 ARG 23 -7.944 8.624 -14.422
208 HH21 ARG 23 HH22 ARG 23 -4.990 9.972 -13.093
209 HH22 ARG 23 HH21 ARG 23 -6.715 9.690 -12.859
210 H CYS 24 H CYS 24 0.142 8.962 -17.886
211 HA CYS 24 HA CYS 24 -0.437 10.793 -20.177
212 HB2 CYS 24 HB2 CYS 24 0.599 12.508 -18.843
213 HB3 CYS 24 HB3 CYS 24 -0.534 11.597 -17.787
214 H GLY 25 H GLY 25 1.946 8.242 -19.310
215 HA2 GLY 25 HA2 GLY 25 3.682 7.673 -20.789
216 HA3 GLY 25 HA3 GLY 25 3.630 9.277 -21.520
217 H ALA 26 H ALA 26 3.710 10.772 -18.933
218 HA ALA 26 HA ALA 26 6.376 11.216 -18.882
219 HB1 ALA 26 HB1 ALA 26 4.799 11.573 -16.281
220 HB2 ALA 26 HB2 ALA 26 6.109 12.589 -16.954
221 HB3 ALA 26 HB3 ALA 26 4.489 12.623 -17.696
222 H ASP 27 H ASP 27 8.154 10.753 -17.372
223 HA ASP 27 HA ASP 27 8.047 8.000 -16.582
224 HB2 ASP 27 HB2 ASP 27 10.060 9.222 -17.592
225 HB3 ASP 27 HB3 ASP 27 10.388 9.791 -15.926
226 H LYS 28 H LYS 28 8.377 7.144 -14.384
227 HA LYS 28 HA LYS 28 7.040 8.625 -12.315
228 HB2 LYS 28 HB2 LYS 28 7.816 6.898 -10.791
229 HB3 LYS 28 HB3 LYS 28 7.213 6.191 -12.307
230 HG2 LYS 28 HG2 LYS 28 9.085 4.957 -12.537
231 HG3 LYS 28 HG3 LYS 28 9.994 6.459 -12.804
232 HD2 LYS 28 HD2 LYS 28 11.168 5.372 -11.088
233 HD3 LYS 28 HD3 LYS 28 10.270 6.714 -10.328
234 HE2 LYS 28 HE2 LYS 28 8.412 4.849 -9.846
235 HE3 LYS 28 HE3 LYS 28 9.662 3.675 -10.314
236 HZ1 LYS 28 HZ1 LYS 28 10.047 5.771 -8.157
237 HZ2 LYS 28 HZ2 LYS 28 11.050 4.373 -8.495
238 HZ3 LYS 28 HZ3 LYS 28 9.423 4.181 -7.854
239 H PHE 29 H PHE 29 10.395 8.771 -13.509
240 HA PHE 29 HA PHE 29 11.132 10.284 -11.025
241 HB2 PHE 29 HB2 PHE 29 12.478 8.251 -12.622
242 HB3 PHE 29 HB3 PHE 29 13.394 9.750 -12.803
243 HD1 PHE 29 HD2 PHE 29 13.385 11.123 -10.315
244 HD2 PHE 29 HD1 PHE 29 13.403 6.863 -10.962
245 HE1 PHE 29 HE2 PHE 29 14.398 10.779 -8.087
246 HE2 PHE 29 HE1 PHE 29 14.480 6.538 -8.772
247 HZ PHE 29 HZ PHE 29 14.977 8.489 -7.322
248 H ASP 30 H ASP 30 9.368 11.272 -13.376
249 HA ASP 30 HA ASP 30 11.140 13.020 -14.883
250 HB2 ASP 30 HB2 ASP 30 9.093 12.220 -15.847
251 HB3 ASP 30 HB3 ASP 30 8.084 12.943 -14.562
252 HN1 NH2 31 HN1 NH2 31 12.295 14.463 -13.381
253 HN2 NH2 31 HN2 NH2 31 11.424 15.578 -12.384
Start of MODEL 7
1 H1 ACE 0 H1 ACE 0 3.918 2.846 0.328
2 H2 ACE 0 H2 ACE 0 4.957 1.431 0.697
3 H3 ACE 0 H3 ACE 0 3.851 2.084 1.945
4 H LYS 1 H LYS 1 3.656 0.891 -1.522
5 HA LYS 1 HA LYS 1 1.078 -0.447 -0.748
6 HB2 LYS 1 HB2 LYS 1 1.448 1.557 -2.575
7 HB3 LYS 1 HB3 LYS 1 1.821 0.176 -3.628
8 HG2 LYS 1 HG2 LYS 1 -0.473 -0.591 -3.572
9 HG3 LYS 1 HG3 LYS 1 -0.794 0.137 -1.987
10 HD2 LYS 1 HD2 LYS 1 -0.260 1.707 -4.578
11 HD3 LYS 1 HD3 LYS 1 -1.863 1.128 -4.078
12 HE2 LYS 1 HE2 LYS 1 -0.950 2.434 -1.724
13 HE3 LYS 1 HE3 LYS 1 -0.292 3.456 -3.020
14 HZ1 LYS 1 HZ1 LYS 1 -2.586 4.032 -2.163
15 HZ2 LYS 1 HZ2 LYS 1 -3.201 2.574 -2.847
16 HZ3 LYS 1 HZ3 LYS 1 -2.507 3.795 -3.899
17 H PHE 2 H PHE 2 0.861 -2.177 -2.948
18 HA PHE 2 HA PHE 2 2.744 -4.205 -2.107
19 HB2 PHE 2 HB2 PHE 2 0.153 -4.372 -2.620
20 HB3 PHE 2 HB3 PHE 2 0.610 -4.374 -4.334
21 HD1 PHE 2 HD2 PHE 2 1.220 -5.925 -0.973
22 HD2 PHE 2 HD1 PHE 2 1.365 -6.562 -5.231
23 HE1 PHE 2 HE2 PHE 2 1.640 -8.329 -0.595
24 HE2 PHE 2 HE1 PHE 2 1.741 -8.978 -4.845
25 HZ PHE 2 HZ PHE 2 1.885 -9.865 -2.531
26 H GLU 3 H GLU 3 4.471 -2.430 -3.112
27 HA GLU 3 HA GLU 3 6.116 -2.234 -4.625
28 HB2 GLU 3 HB2 GLU 3 5.709 -4.827 -4.552
29 HB3 GLU 3 HB3 GLU 3 5.079 -4.662 -6.210
30 HG2 GLU 3 HG2 GLU 3 7.194 -4.530 -7.076
31 HG3 GLU 3 HG3 GLU 3 7.714 -3.325 -5.855
32 H ASP 4 H ASP 4 4.575 -0.239 -5.010
33 HA ASP 4 HA ASP 4 4.283 -0.046 -7.945
34 HB2 ASP 4 HB2 ASP 4 1.967 0.651 -6.057
35 HB3 ASP 4 HB3 ASP 4 1.932 0.668 -7.835
36 H TRP 5 H TRP 5 3.529 2.354 -8.488
37 HA TRP 5 HA TRP 5 4.375 4.235 -6.345
38 HB2 TRP 5 HB2 TRP 5 5.943 5.370 -8.029
39 HB3 TRP 5 HB3 TRP 5 6.474 3.748 -7.508
40 HD1 TRP 5 HD1 TRP 5 6.586 1.966 -9.246
41 HE1 TRP 5 HE1 TRP 5 6.339 1.803 -11.835
42 HE3 TRP 5 HE3 TRP 5 4.502 6.519 -10.037
43 HZ2 TRP 5 HZ2 TRP 5 5.424 3.446 -13.872
44 HZ3 TRP 5 HZ3 TRP 5 3.883 7.135 -12.422
45 HH2 TRP 5 HH2 TRP 5 4.550 5.754 -14.238
46 H LEU 6 H LEU 6 3.950 6.593 -7.095
47 HA LEU 6 HA LEU 6 1.463 6.557 -8.758
48 HB2 LEU 6 HB2 LEU 6 2.259 8.551 -6.586
49 HB3 LEU 6 HB3 LEU 6 0.788 8.546 -7.585
50 HG LEU 6 HG LEU 6 0.928 5.914 -6.415
51 HD11 LEU 6 HD11 LEU 6 1.113 6.268 -4.008
52 HD12 LEU 6 HD12 LEU 6 1.385 8.022 -4.236
53 HD13 LEU 6 HD13 LEU 6 2.619 6.840 -4.781
54 HD21 LEU 6 HD21 LEU 6 -1.168 7.112 -6.882
55 HD22 LEU 6 HD22 LEU 6 -0.765 8.392 -5.701
56 HD23 LEU 6 HD23 LEU 6 -1.122 6.739 -5.127
57 H CYS 7 H CYS 7 1.459 7.899 -10.612
58 HA CYS 7 HA CYS 7 3.956 9.058 -11.367
59 HB2 CYS 7 HB2 CYS 7 1.968 8.332 -12.940
60 HB3 CYS 7 HB3 CYS 7 1.141 9.798 -12.373
61 H ASN 8 H ASN 8 4.569 11.281 -11.742
62 HA ASN 8 HA ASN 8 3.531 12.981 -9.509
63 HB2 ASN 8 HB2 ASN 8 6.173 12.376 -10.476
64 HB3 ASN 8 HB3 ASN 8 5.871 14.041 -10.967
65 HD21 ASN 8 HD21 ASN 8 6.475 15.516 -9.215
66 HD22 ASN 8 HD22 ASN 8 6.513 15.015 -7.559
67 H LYS 9 H LYS 9 2.161 12.475 -12.244
68 HA LYS 9 HA LYS 9 1.867 15.360 -12.921
69 HB2 LYS 9 HB2 LYS 9 3.020 13.175 -14.556
70 HB3 LYS 9 HB3 LYS 9 1.509 13.727 -15.312
71 HG2 LYS 9 HG2 LYS 9 3.901 15.504 -14.562
72 HG3 LYS 9 HG3 LYS 9 3.463 14.892 -16.182
73 HD2 LYS 9 HD2 LYS 9 1.065 16.141 -15.478
74 HD3 LYS 9 HD3 LYS 9 2.230 17.101 -14.526
75 HE2 LYS 9 HE2 LYS 9 3.569 17.198 -16.860
76 HE3 LYS 9 HE3 LYS 9 1.995 16.720 -17.544
77 HZ1 LYS 9 HZ1 LYS 9 1.467 18.921 -17.516
78 HZ2 LYS 9 HZ2 LYS 9 2.918 19.304 -16.641
79 HZ3 LYS 9 HZ3 LYS 9 1.461 18.917 -15.785
80 H CYS 10 H CYS 10 0.469 12.080 -13.723
81 HA CYS 10 HA CYS 10 -2.226 13.336 -13.378
82 HB2 CYS 10 HB2 CYS 10 -3.014 11.323 -14.476
83 HB3 CYS 10 HB3 CYS 10 -1.749 12.094 -15.496
84 H CYS 11 H CYS 11 0.042 11.661 -11.319
85 HA CYS 11 HA CYS 11 -0.249 10.539 -9.386
86 HB2 CYS 11 HB2 CYS 11 -2.072 12.619 -9.384
87 HB3 CYS 11 HB3 CYS 11 -3.161 11.235 -9.094
88 HG CYS 11 HG CYS 11 -0.623 11.867 -7.429
89 H LEU 12 H LEU 12 -1.033 9.155 -12.018
90 HA LEU 12 HA LEU 12 -3.094 7.311 -11.153
91 HB2 LEU 12 HB2 LEU 12 -2.761 8.026 -13.557
92 HB3 LEU 12 HB3 LEU 12 -1.176 7.231 -13.512
93 HG LEU 12 HG LEU 12 -2.632 5.125 -12.674
94 HD11 LEU 12 HD11 LEU 12 -4.864 5.657 -14.481
95 HD12 LEU 12 HD12 LEU 12 -4.778 6.961 -13.277
96 HD13 LEU 12 HD13 LEU 12 -4.887 5.272 -12.754
97 HD21 LEU 12 HD21 LEU 12 -2.291 4.070 -14.625
98 HD22 LEU 12 HD22 LEU 12 -1.275 5.480 -14.967
99 HD23 LEU 12 HD23 LEU 12 -2.928 5.365 -15.635
100 H ASN 13 H ASN 13 -2.625 5.270 -10.157
101 HA ASN 13 HA ASN 13 0.024 4.843 -9.158
102 HB2 ASN 13 HB2 ASN 13 -2.500 3.715 -8.501
103 HB3 ASN 13 HB3 ASN 13 -1.596 2.365 -9.204
104 HD21 ASN 13 HD21 ASN 13 -1.710 4.776 -6.553
105 HD22 ASN 13 HD22 ASN 13 -0.460 4.034 -5.613
106 H ASN 14 H ASN 14 1.447 2.878 -9.662
107 HA ASN 14 HA ASN 14 0.719 1.392 -12.051
108 HB2 ASN 14 HB2 ASN 14 2.882 3.517 -12.038
109 HB3 ASN 14 HB3 ASN 14 3.111 2.081 -13.087
110 HD21 ASN 14 HD21 ASN 14 0.918 1.543 -14.466
111 HD22 ASN 14 HD22 ASN 14 0.262 2.953 -15.221
112 H PHE 15 H PHE 15 2.029 -0.458 -12.421
113 HA PHE 15 HA PHE 15 2.913 -1.591 -10.027
114 HB2 PHE 15 HB2 PHE 15 2.682 -2.573 -12.774
115 HB3 PHE 15 HB3 PHE 15 4.277 -2.992 -12.187
116 HD1 PHE 15 HD1 PHE 15 4.407 -4.110 -9.785
117 HD2 PHE 15 HD2 PHE 15 0.820 -3.945 -12.163
118 HE1 PHE 15 HE1 PHE 15 3.450 -5.958 -8.474
119 HE2 PHE 15 HE2 PHE 15 -0.066 -5.891 -10.940
120 HZ PHE 15 HZ PHE 15 1.235 -6.900 -9.082
121 H ARG 16 H ARG 16 5.020 -1.949 -9.080
122 HA ARG 16 HA ARG 16 7.067 -0.054 -9.710
123 HB2 ARG 16 HB2 ARG 16 6.932 -2.554 -8.059
124 HB3 ARG 16 HB3 ARG 16 8.523 -2.214 -8.732
125 HG2 ARG 16 HG2 ARG 16 7.956 0.270 -7.659
126 HG3 ARG 16 HG3 ARG 16 6.956 -0.725 -6.599
127 HD2 ARG 16 HD2 ARG 16 8.892 -1.179 -5.356
128 HD3 ARG 16 HD3 ARG 16 9.551 -2.044 -6.733
129 HE ARG 16 HE ARG 16 10.913 -0.312 -7.249
130 HH11 ARG 16 HH12 ARG 16 8.214 0.968 -5.221
131 HH12 ARG 16 HH11 ARG 16 8.967 2.544 -5.098
132 HH21 ARG 16 HH22 ARG 16 11.774 1.748 -7.035
133 HH22 ARG 16 HH21 ARG 16 10.939 2.982 -6.095
134 H LYS 17 H LYS 17 6.436 -3.148 -11.158
135 HA LYS 17 HA LYS 17 8.985 -3.398 -12.332
136 HB2 LYS 17 HB2 LYS 17 6.623 -4.912 -12.511
137 HB3 LYS 17 HB3 LYS 17 6.551 -3.979 -14.021
138 HG2 LYS 17 HG2 LYS 17 9.166 -4.949 -14.109
139 HG3 LYS 17 HG3 LYS 17 8.492 -6.111 -12.966
140 HD2 LYS 17 HD2 LYS 17 7.632 -7.328 -14.728
141 HD3 LYS 17 HD3 LYS 17 6.546 -5.985 -15.083
142 HE2 LYS 17 HE2 LYS 17 8.713 -4.942 -16.326
143 HE3 LYS 17 HE3 LYS 17 9.269 -6.640 -16.300
144 HZ1 LYS 17 HZ1 LYS 17 7.551 -7.254 -17.785
145 HZ2 LYS 17 HZ2 LYS 17 7.991 -5.655 -18.326
146 HZ3 LYS 17 HZ3 LYS 17 6.548 -5.865 -17.407
147 H ARG 18 H ARG 18 6.382 -1.022 -12.966
148 HA ARG 18 HA ARG 18 7.349 -0.586 -15.662
149 HB2 ARG 18 HB2 ARG 18 4.815 -0.193 -14.343
150 HB3 ARG 18 HB3 ARG 18 5.384 1.411 -14.774
151 HG2 ARG 18 HG2 ARG 18 5.354 -0.812 -16.875
152 HG3 ARG 18 HG3 ARG 18 3.852 -0.026 -16.382
153 HD2 ARG 18 HD2 ARG 18 4.319 2.010 -17.230
154 HD3 ARG 18 HD3 ARG 18 6.080 1.886 -17.132
155 HE ARG 18 HE ARG 18 4.365 1.242 -19.358
156 HH11 ARG 18 HH12 ARG 18 7.371 0.152 -17.775
157 HH12 ARG 18 HH11 ARG 18 8.083 -0.409 -19.260
158 HH21 ARG 18 HH22 ARG 18 5.331 0.440 -21.243
159 HH22 ARG 18 HH21 ARG 18 6.940 -0.279 -21.181
160 H LEU 19 H LEU 19 8.621 1.284 -16.345
161 HA LEU 19 HA LEU 19 9.744 2.915 -14.146
162 HB2 LEU 19 HB2 LEU 19 10.742 2.109 -16.884
163 HB3 LEU 19 HB3 LEU 19 11.479 3.425 -15.982
164 HG LEU 19 HG LEU 19 11.079 0.946 -14.322
165 HD11 LEU 19 HD11 LEU 19 12.780 -0.402 -15.215
166 HD12 LEU 19 HD12 LEU 19 13.292 0.838 -16.407
167 HD13 LEU 19 HD13 LEU 19 11.721 -0.014 -16.590
168 HD21 LEU 19 HD21 LEU 19 12.319 2.751 -13.292
169 HD22 LEU 19 HD22 LEU 19 13.350 3.012 -14.728
170 HD23 LEU 19 HD23 LEU 19 13.552 1.544 -13.754
171 H LYS 20 H LYS 20 6.972 3.404 -15.584
172 HA LYS 20 HA LYS 20 7.259 6.158 -15.844
173 HB2 LYS 20 HB2 LYS 20 6.834 6.328 -18.398
174 HB3 LYS 20 HB3 LYS 20 8.501 5.866 -18.007
175 HG2 LYS 20 HG2 LYS 20 7.827 3.412 -18.296
176 HG3 LYS 20 HG3 LYS 20 6.245 3.975 -18.903
177 HD2 LYS 20 HD2 LYS 20 9.029 4.627 -20.092
178 HD3 LYS 20 HD3 LYS 20 7.859 3.422 -20.701
179 HE2 LYS 20 HE2 LYS 20 6.189 5.288 -21.071
180 HE3 LYS 20 HE3 LYS 20 7.433 6.491 -20.620
181 HZ1 LYS 20 HZ1 LYS 20 8.136 4.554 -22.791
182 HZ2 LYS 20 HZ2 LYS 20 8.630 6.203 -22.522
183 HZ3 LYS 20 HZ3 LYS 20 7.031 5.861 -23.119
184 H CYS 21 H CYS 21 5.259 7.217 -16.874
185 HA CYS 21 HA CYS 21 3.045 5.557 -15.881
186 HB2 CYS 21 HB2 CYS 21 3.457 7.911 -15.165
187 HB3 CYS 21 HB3 CYS 21 3.086 8.469 -16.839
188 H PHE 22 H PHE 22 1.514 4.550 -17.176
189 HA PHE 22 HA PHE 22 1.961 4.720 -20.070
190 HB2 PHE 22 HB2 PHE 22 1.376 2.614 -18.513
191 HB3 PHE 22 HB3 PHE 22 -0.296 3.220 -18.629
192 HD1 PHE 22 HD2 PHE 22 2.761 2.631 -20.811
193 HD2 PHE 22 HD1 PHE 22 -1.495 2.096 -20.418
194 HE1 PHE 22 HE2 PHE 22 2.706 1.482 -22.988
195 HE2 PHE 22 HE1 PHE 22 -1.523 0.856 -22.553
196 HZ PHE 22 HZ PHE 22 0.569 0.561 -23.854
197 H ARG 23 H ARG 23 -0.030 6.395 -17.736
198 HA ARG 23 HA ARG 23 -2.252 6.848 -19.510
199 HB2 ARG 23 HB2 ARG 23 -2.105 6.996 -16.862
200 HB3 ARG 23 HB3 ARG 23 -1.552 8.635 -17.109
201 HG2 ARG 23 HG2 ARG 23 -3.666 8.839 -18.676
202 HG3 ARG 23 HG3 ARG 23 -4.213 7.355 -17.868
203 HD2 ARG 23 HD2 ARG 23 -3.289 9.323 -15.840
204 HD3 ARG 23 HD3 ARG 23 -4.368 10.109 -17.026
205 HE ARG 23 HE ARG 23 -5.358 7.578 -15.875
206 HH11 ARG 23 HH12 ARG 23 -5.105 11.123 -15.227
207 HH12 ARG 23 HH11 ARG 23 -6.311 11.038 -13.967
208 HH21 ARG 23 HH22 ARG 23 -6.940 7.621 -14.290
209 HH22 ARG 23 HH21 ARG 23 -7.346 9.123 -13.470
210 H CYS 24 H CYS 24 0.325 9.109 -18.132
211 HA CYS 24 HA CYS 24 -0.345 11.007 -20.307
212 HB2 CYS 24 HB2 CYS 24 1.173 12.560 -19.064
213 HB3 CYS 24 HB3 CYS 24 -0.243 12.006 -18.121
214 H GLY 25 H GLY 25 2.049 8.409 -19.518
215 HA2 GLY 25 HA2 GLY 25 3.540 7.638 -21.138
216 HA3 GLY 25 HA3 GLY 25 3.417 9.161 -22.025
217 H ALA 26 H ALA 26 3.735 10.309 -18.856
218 HA ALA 26 HA ALA 26 6.500 10.899 -19.507
219 HB1 ALA 26 HB1 ALA 26 4.689 12.559 -18.550
220 HB2 ALA 26 HB2 ALA 26 5.100 11.830 -16.965
221 HB3 ALA 26 HB3 ALA 26 6.369 12.635 -17.943
222 H ASP 27 H ASP 27 8.257 10.663 -17.826
223 HA ASP 27 HA ASP 27 8.178 7.985 -16.860
224 HB2 ASP 27 HB2 ASP 27 10.256 9.376 -17.617
225 HB3 ASP 27 HB3 ASP 27 10.276 9.951 -15.921
226 H LYS 28 H LYS 28 9.053 7.677 -14.344
227 HA LYS 28 HA LYS 28 6.742 8.291 -12.765
228 HB2 LYS 28 HB2 LYS 28 9.589 7.561 -11.830
229 HB3 LYS 28 HB3 LYS 28 8.124 7.526 -10.817
230 HG2 LYS 28 HG2 LYS 28 7.246 5.655 -11.930
231 HG3 LYS 28 HG3 LYS 28 8.185 5.858 -13.395
232 HD2 LYS 28 HD2 LYS 28 9.129 4.053 -12.414
233 HD3 LYS 28 HD3 LYS 28 10.337 5.308 -12.067
234 HE2 LYS 28 HE2 LYS 28 8.157 4.498 -10.045
235 HE3 LYS 28 HE3 LYS 28 9.532 3.406 -10.332
236 HZ1 LYS 28 HZ1 LYS 28 9.955 4.753 -8.443
237 HZ2 LYS 28 HZ2 LYS 28 9.701 6.238 -9.336
238 HZ3 LYS 28 HZ3 LYS 28 11.076 5.202 -9.710
239 H PHE 29 H PHE 29 10.155 9.620 -12.767
240 HA PHE 29 HA PHE 29 9.166 11.891 -11.069
241 HB2 PHE 29 HB2 PHE 29 11.526 10.216 -10.922
242 HB3 PHE 29 HB3 PHE 29 12.079 11.819 -11.410
243 HD1 PHE 29 HD2 PHE 29 11.397 13.837 -9.989
244 HD2 PHE 29 HD1 PHE 29 10.696 9.794 -8.693
245 HE1 PHE 29 HE2 PHE 29 11.218 14.613 -7.646
246 HE2 PHE 29 HE1 PHE 29 10.533 10.573 -6.356
247 HZ PHE 29 HZ PHE 29 10.794 12.982 -5.823
248 H ASP 30 H ASP 30 8.709 11.468 -14.113
249 HA ASP 30 HA ASP 30 8.987 12.580 -16.020
250 HB2 ASP 30 HB2 ASP 30 8.234 14.347 -13.982
251 HB3 ASP 30 HB3 ASP 30 9.469 15.274 -14.864
252 HN1 NH2 31 HN1 NH2 31 11.581 14.626 -14.345
253 HN2 NH2 31 HN2 NH2 31 12.750 14.110 -15.507
Start of MODEL 8
1 H1 ACE 0 H1 ACE 0 -4.137 -3.901 -1.489
2 H2 ACE 0 H2 ACE 0 -3.160 -3.037 -0.257
3 H3 ACE 0 H3 ACE 0 -3.484 -4.791 -0.079
4 H LYS 1 H LYS 1 -2.161 -2.529 -2.650
5 HA LYS 1 HA LYS 1 -0.261 -4.711 -3.355
6 HB2 LYS 1 HB2 LYS 1 -1.942 -3.358 -4.975
7 HB3 LYS 1 HB3 LYS 1 -0.559 -2.264 -5.082
8 HG2 LYS 1 HG2 LYS 1 -0.820 -5.221 -5.884
9 HG3 LYS 1 HG3 LYS 1 -0.398 -3.822 -6.879
10 HD2 LYS 1 HD2 LYS 1 1.770 -4.501 -6.685
11 HD3 LYS 1 HD3 LYS 1 1.681 -3.751 -5.102
12 HE2 LYS 1 HE2 LYS 1 0.712 -6.462 -4.726
13 HE3 LYS 1 HE3 LYS 1 2.085 -6.566 -5.829
14 HZ1 LYS 1 HZ1 LYS 1 2.131 -6.401 -3.018
15 HZ2 LYS 1 HZ2 LYS 1 2.791 -4.912 -3.537
16 HZ3 LYS 1 HZ3 LYS 1 3.477 -6.394 -4.082
17 H PHE 2 H PHE 2 1.323 -4.360 -1.603
18 HA PHE 2 HA PHE 2 2.505 -1.651 -1.362
19 HB2 PHE 2 HB2 PHE 2 3.423 -4.354 -0.232
20 HB3 PHE 2 HB3 PHE 2 3.930 -2.742 0.343
21 HD1 PHE 2 HD2 PHE 2 1.557 -1.154 0.684
22 HD2 PHE 2 HD1 PHE 2 2.007 -5.385 1.385
23 HE1 PHE 2 HE2 PHE 2 -0.355 -1.108 2.219
24 HE2 PHE 2 HE1 PHE 2 0.147 -5.300 2.997
25 HZ PHE 2 HZ PHE 2 -1.046 -3.167 3.421
26 H GLU 3 H GLU 3 2.828 -2.019 -4.038
27 HA GLU 3 HA GLU 3 5.687 -2.184 -4.258
28 HB2 GLU 3 HB2 GLU 3 5.228 -4.650 -4.107
29 HB3 GLU 3 HB3 GLU 3 4.151 -4.533 -5.535
30 HG2 GLU 3 HG2 GLU 3 5.929 -4.453 -6.999
31 HG3 GLU 3 HG3 GLU 3 6.950 -3.487 -5.857
32 H ASP 4 H ASP 4 4.419 -0.033 -4.865
33 HA ASP 4 HA ASP 4 4.300 0.027 -7.818
34 HB2 ASP 4 HB2 ASP 4 1.954 0.998 -6.126
35 HB3 ASP 4 HB3 ASP 4 1.987 0.845 -7.910
36 H TRP 5 H TRP 5 3.624 2.565 -8.355
37 HA TRP 5 HA TRP 5 4.543 4.335 -6.156
38 HB2 TRP 5 HB2 TRP 5 6.269 5.385 -7.746
39 HB3 TRP 5 HB3 TRP 5 6.665 3.717 -7.233
40 HD1 TRP 5 HD1 TRP 5 6.483 1.875 -8.966
41 HE1 TRP 5 HE1 TRP 5 6.398 1.776 -11.547
42 HE3 TRP 5 HE3 TRP 5 5.042 6.673 -9.889
43 HZ2 TRP 5 HZ2 TRP 5 6.013 3.507 -13.617
44 HZ3 TRP 5 HZ3 TRP 5 4.569 7.282 -12.315
45 HH2 TRP 5 HH2 TRP 5 5.340 5.853 -14.098
46 H LEU 6 H LEU 6 4.258 6.698 -6.808
47 HA LEU 6 HA LEU 6 1.799 6.839 -8.495
48 HB2 LEU 6 HB2 LEU 6 2.919 8.820 -6.476
49 HB3 LEU 6 HB3 LEU 6 1.379 8.941 -7.350
50 HG LEU 6 HG LEU 6 1.402 6.322 -6.042
51 HD11 LEU 6 HD11 LEU 6 3.063 7.002 -4.432
52 HD12 LEU 6 HD12 LEU 6 1.491 7.159 -3.601
53 HD13 LEU 6 HD13 LEU 6 2.321 8.616 -4.200
54 HD21 LEU 6 HD21 LEU 6 -0.182 8.838 -5.305
55 HD22 LEU 6 HD22 LEU 6 -0.612 7.138 -4.934
56 HD23 LEU 6 HD23 LEU 6 -0.605 7.698 -6.627
57 H CYS 7 H CYS 7 1.793 8.225 -10.363
58 HA CYS 7 HA CYS 7 4.411 9.147 -11.216
59 HB2 CYS 7 HB2 CYS 7 2.511 8.322 -12.791
60 HB3 CYS 7 HB3 CYS 7 1.607 9.770 -12.310
61 H ASN 8 H ASN 8 5.086 11.298 -11.777
62 HA ASN 8 HA ASN 8 4.036 13.214 -9.720
63 HB2 ASN 8 HB2 ASN 8 6.607 12.398 -10.471
64 HB3 ASN 8 HB3 ASN 8 6.509 14.019 -11.167
65 HD21 ASN 8 HD21 ASN 8 7.355 12.189 -8.373
66 HD22 ASN 8 HD22 ASN 8 7.194 13.465 -7.231
67 H LYS 9 H LYS 9 2.630 12.551 -12.275
68 HA LYS 9 HA LYS 9 2.493 15.309 -13.305
69 HB2 LYS 9 HB2 LYS 9 3.967 13.446 -14.706
70 HB3 LYS 9 HB3 LYS 9 2.351 12.967 -15.257
71 HG2 LYS 9 HG2 LYS 9 3.165 14.502 -16.887
72 HG3 LYS 9 HG3 LYS 9 1.945 15.409 -15.945
73 HD2 LYS 9 HD2 LYS 9 3.717 16.601 -14.708
74 HD3 LYS 9 HD3 LYS 9 4.981 15.528 -15.358
75 HE2 LYS 9 HE2 LYS 9 4.711 16.436 -17.605
76 HE3 LYS 9 HE3 LYS 9 3.225 17.310 -17.132
77 HZ1 LYS 9 HZ1 LYS 9 4.639 18.635 -15.497
78 HZ2 LYS 9 HZ2 LYS 9 5.026 18.877 -17.182
79 HZ3 LYS 9 HZ3 LYS 9 6.031 17.811 -16.217
80 H CYS 10 H CYS 10 0.934 11.991 -13.582
81 HA CYS 10 HA CYS 10 -1.676 13.446 -13.306
82 HB2 CYS 10 HB2 CYS 10 -2.617 11.484 -14.383
83 HB3 CYS 10 HB3 CYS 10 -1.264 12.086 -15.395
84 H CYS 11 H CYS 11 0.573 11.815 -11.224
85 HA CYS 11 HA CYS 11 0.255 10.866 -9.189
86 HB2 CYS 11 HB2 CYS 11 -2.642 11.828 -9.276
87 HB3 CYS 11 HB3 CYS 11 -1.564 11.596 -7.874
88 HG CYS 11 HG CYS 11 -1.224 13.763 -10.059
89 H LEU 12 H LEU 12 -0.497 9.266 -11.764
90 HA LEU 12 HA LEU 12 -2.560 7.561 -10.735
91 HB2 LEU 12 HB2 LEU 12 -2.473 8.059 -13.077
92 HB3 LEU 12 HB3 LEU 12 -0.856 7.337 -13.271
93 HG LEU 12 HG LEU 12 -2.917 6.001 -14.037
94 HD11 LEU 12 HD11 LEU 12 -1.885 3.772 -12.893
95 HD12 LEU 12 HD12 LEU 12 -0.563 4.911 -12.559
96 HD13 LEU 12 HD13 LEU 12 -1.101 4.634 -14.232
97 HD21 LEU 12 HD21 LEU 12 -4.348 4.844 -12.753
98 HD22 LEU 12 HD22 LEU 12 -4.237 6.382 -11.866
99 HD23 LEU 12 HD23 LEU 12 -3.357 4.935 -11.286
100 H ASN 13 H ASN 13 -2.161 5.720 -9.510
101 HA ASN 13 HA ASN 13 0.457 4.933 -8.705
102 HB2 ASN 13 HB2 ASN 13 -1.202 4.484 -7.170
103 HB3 ASN 13 HB3 ASN 13 -2.346 3.802 -8.347
104 HD21 ASN 13 HD21 ASN 13 -2.064 1.599 -9.179
105 HD22 ASN 13 HD22 ASN 13 -1.053 0.512 -8.291
106 H ASN 14 H ASN 14 1.984 3.885 -10.133
107 HA ASN 14 HA ASN 14 0.806 1.884 -12.042
108 HB2 ASN 14 HB2 ASN 14 3.419 3.423 -12.130
109 HB3 ASN 14 HB3 ASN 14 3.055 2.072 -13.238
110 HD21 ASN 14 HD21 ASN 14 2.474 5.519 -12.626
111 HD22 ASN 14 HD22 ASN 14 1.290 5.660 -13.857
112 H PHE 15 H PHE 15 1.863 -0.139 -12.231
113 HA PHE 15 HA PHE 15 2.710 -1.248 -9.848
114 HB2 PHE 15 HB2 PHE 15 2.228 -2.337 -12.443
115 HB3 PHE 15 HB3 PHE 15 3.936 -2.671 -12.164
116 HD1 PHE 15 HD2 PHE 15 4.572 -4.182 -10.246
117 HD2 PHE 15 HD1 PHE 15 0.445 -3.265 -11.069
118 HE1 PHE 15 HE2 PHE 15 3.861 -6.071 -8.826
119 HE2 PHE 15 HE1 PHE 15 -0.250 -5.234 -9.755
120 HZ PHE 15 HZ PHE 15 1.452 -6.646 -8.630
121 H ARG 16 H ARG 16 4.785 -2.063 -9.085
122 HA ARG 16 HA ARG 16 6.911 -0.193 -9.615
123 HB2 ARG 16 HB2 ARG 16 6.535 -2.405 -7.772
124 HB3 ARG 16 HB3 ARG 16 8.218 -2.230 -8.201
125 HG2 ARG 16 HG2 ARG 16 6.715 0.265 -7.241
126 HG3 ARG 16 HG3 ARG 16 7.188 -0.978 -6.080
127 HD2 ARG 16 HD2 ARG 16 8.963 0.679 -6.165
128 HD3 ARG 16 HD3 ARG 16 9.484 -0.932 -6.748
129 HE ARG 16 HE ARG 16 8.583 1.003 -8.818
130 HH11 ARG 16 HH12 ARG 16 11.478 -0.023 -6.965
131 HH12 ARG 16 HH11 ARG 16 12.548 0.504 -8.252
132 HH21 ARG 16 HH22 ARG 16 10.007 1.597 -10.396
133 HH22 ARG 16 HH21 ARG 16 11.740 1.452 -10.130
134 H LYS 17 H LYS 17 7.258 -0.321 -11.849
135 HA LYS 17 HA LYS 17 9.461 -1.877 -12.553
136 HB2 LYS 17 HB2 LYS 17 6.964 -3.416 -12.696
137 HB3 LYS 17 HB3 LYS 17 7.413 -3.028 -14.362
138 HG2 LYS 17 HG2 LYS 17 9.765 -3.925 -13.892
139 HG3 LYS 17 HG3 LYS 17 9.204 -4.389 -12.264
140 HD2 LYS 17 HD2 LYS 17 8.956 -6.402 -13.451
141 HD3 LYS 17 HD3 LYS 17 7.304 -5.724 -13.509
142 HE2 LYS 17 HE2 LYS 17 7.723 -4.894 -15.830
143 HE3 LYS 17 HE3 LYS 17 9.426 -5.428 -15.747
144 HZ1 LYS 17 HZ1 LYS 17 7.661 -6.941 -16.905
145 HZ2 LYS 17 HZ2 LYS 17 7.246 -7.443 -15.287
146 HZ3 LYS 17 HZ3 LYS 17 8.873 -7.659 -15.874
147 H ARG 18 H ARG 18 6.292 -0.696 -13.889
148 HA ARG 18 HA ARG 18 7.133 -0.049 -16.364
149 HB2 ARG 18 HB2 ARG 18 4.793 0.681 -14.896
150 HB3 ARG 18 HB3 ARG 18 5.543 2.229 -15.305
151 HG2 ARG 18 HG2 ARG 18 4.137 1.879 -17.092
152 HG3 ARG 18 HG3 ARG 18 5.750 1.419 -17.700
153 HD2 ARG 18 HD2 ARG 18 5.041 -1.009 -16.896
154 HD3 ARG 18 HD3 ARG 18 3.374 -0.339 -16.814
155 HE ARG 18 HE ARG 18 4.427 0.340 -19.355
156 HH11 ARG 18 HH12 ARG 18 3.601 -2.652 -17.538
157 HH12 ARG 18 HH11 ARG 18 3.372 -3.567 -19.018
158 HH21 ARG 18 HH22 ARG 18 4.096 -0.913 -21.181
159 HH22 ARG 18 HH21 ARG 18 3.600 -2.595 -21.041
160 H LEU 19 H LEU 19 9.068 0.984 -16.999
161 HA LEU 19 HA LEU 19 10.482 2.829 -15.353
162 HB2 LEU 19 HB2 LEU 19 10.361 2.288 -18.379
163 HB3 LEU 19 HB3 LEU 19 11.258 3.690 -17.807
164 HG LEU 19 HG LEU 19 11.807 0.889 -16.654
165 HD11 LEU 19 HD11 LEU 19 12.169 0.618 -18.994
166 HD12 LEU 19 HD12 LEU 19 13.785 0.873 -18.297
167 HD13 LEU 19 HD13 LEU 19 12.967 2.213 -19.161
168 HD21 LEU 19 HD21 LEU 19 13.159 3.638 -16.459
169 HD22 LEU 19 HD22 LEU 19 14.154 2.170 -16.352
170 HD23 LEU 19 HD23 LEU 19 12.841 2.429 -15.188
171 H LYS 20 H LYS 20 7.498 3.335 -17.298
172 HA LYS 20 HA LYS 20 7.614 6.080 -16.308
173 HB2 LYS 20 HB2 LYS 20 7.034 6.941 -18.643
174 HB3 LYS 20 HB3 LYS 20 8.694 6.257 -18.569
175 HG2 LYS 20 HG2 LYS 20 7.712 4.075 -19.560
176 HG3 LYS 20 HG3 LYS 20 6.153 4.949 -19.663
177 HD2 LYS 20 HD2 LYS 20 7.623 6.774 -20.956
178 HD3 LYS 20 HD3 LYS 20 8.807 5.454 -21.144
179 HE2 LYS 20 HE2 LYS 20 7.369 4.195 -22.548
180 HE3 LYS 20 HE3 LYS 20 5.885 4.997 -21.977
181 HZ1 LYS 20 HZ1 LYS 20 6.120 6.791 -23.302
182 HZ2 LYS 20 HZ2 LYS 20 6.988 5.650 -24.306
183 HZ3 LYS 20 HZ3 LYS 20 7.851 6.790 -23.322
184 H CYS 21 H CYS 21 5.562 7.212 -16.484
185 HA CYS 21 HA CYS 21 3.573 5.497 -15.452
186 HB2 CYS 21 HB2 CYS 21 3.738 7.885 -14.954
187 HB3 CYS 21 HB3 CYS 21 3.350 8.325 -16.662
188 H PHE 22 H PHE 22 1.995 4.207 -16.423
189 HA PHE 22 HA PHE 22 2.052 4.122 -19.344
190 HB2 PHE 22 HB2 PHE 22 1.779 2.140 -17.534
191 HB3 PHE 22 HB3 PHE 22 0.076 2.652 -17.502
192 HD1 PHE 22 HD1 PHE 22 2.883 2.069 -19.999
193 HD2 PHE 22 HD2 PHE 22 -1.238 1.286 -19.022
194 HE1 PHE 22 HE1 PHE 22 2.628 0.783 -22.086
195 HE2 PHE 22 HE2 PHE 22 -1.418 -0.171 -21.009
196 HZ PHE 22 HZ PHE 22 0.530 -0.470 -22.519
197 H ARG 23 H ARG 23 0.142 5.723 -16.890
198 HA ARG 23 HA ARG 23 -2.225 5.971 -18.466
199 HB2 ARG 23 HB2 ARG 23 -1.903 6.123 -15.964
200 HB3 ARG 23 HB3 ARG 23 -1.383 7.796 -16.131
201 HG2 ARG 23 HG2 ARG 23 -3.732 7.683 -17.671
202 HG3 ARG 23 HG3 ARG 23 -4.115 6.536 -16.379
203 HD2 ARG 23 HD2 ARG 23 -3.027 9.231 -15.466
204 HD3 ARG 23 HD3 ARG 23 -4.534 9.262 -16.406
205 HE ARG 23 HE ARG 23 -4.764 7.356 -14.269
206 HH11 ARG 23 HH12 ARG 23 -4.776 10.899 -14.909
207 HH12 ARG 23 HH11 ARG 23 -5.719 11.217 -13.468
208 HH21 ARG 23 HH22 ARG 23 -5.981 7.887 -12.461
209 HH22 ARG 23 HH21 ARG 23 -6.390 9.562 -12.121
210 H CYS 24 H CYS 24 0.190 8.645 -17.496
211 HA CYS 24 HA CYS 24 -0.847 10.211 -19.738
212 HB2 CYS 24 HB2 CYS 24 0.500 12.032 -18.895
213 HB3 CYS 24 HB3 CYS 24 -0.481 11.311 -17.588
214 H GLY 25 H GLY 25 1.846 7.893 -19.085
215 HA2 GLY 25 HA2 GLY 25 3.127 7.054 -20.872
216 HA3 GLY 25 HA3 GLY 25 2.783 8.493 -21.834
217 H ALA 26 H ALA 26 3.467 9.989 -18.959
218 HA ALA 26 HA ALA 26 6.158 10.542 -19.912
219 HB1 ALA 26 HB1 ALA 26 6.100 12.421 -18.366
220 HB2 ALA 26 HB2 ALA 26 4.520 12.350 -19.206
221 HB3 ALA 26 HB3 ALA 26 4.671 11.765 -17.518
222 H ASP 27 H ASP 27 8.018 10.622 -18.324
223 HA ASP 27 HA ASP 27 8.265 8.135 -17.029
224 HB2 ASP 27 HB2 ASP 27 10.159 9.801 -17.779
225 HB3 ASP 27 HB3 ASP 27 9.973 10.379 -16.074
226 H LYS 28 H LYS 28 9.030 8.029 -14.564
227 HA LYS 28 HA LYS 28 6.642 8.430 -13.062
228 HB2 LYS 28 HB2 LYS 28 9.515 8.114 -12.032
229 HB3 LYS 28 HB3 LYS 28 8.051 7.841 -11.073
230 HG2 LYS 28 HG2 LYS 28 7.607 5.802 -12.072
231 HG3 LYS 28 HG3 LYS 28 8.335 6.145 -13.627
232 HD2 LYS 28 HD2 LYS 28 9.912 4.679 -12.819
233 HD3 LYS 28 HD3 LYS 28 10.614 6.143 -12.125
234 HE2 LYS 28 HE2 LYS 28 8.747 5.390 -10.111
235 HE3 LYS 28 HE3 LYS 28 9.199 3.829 -10.831
236 HZ1 LYS 28 HZ1 LYS 28 10.671 4.335 -9.004
237 HZ2 LYS 28 HZ2 LYS 28 10.946 5.953 -9.595
238 HZ3 LYS 28 HZ3 LYS 28 11.628 4.590 -10.460
239 H PHE 29 H PHE 29 9.880 10.149 -13.045
240 HA PHE 29 HA PHE 29 8.597 12.373 -11.505
241 HB2 PHE 29 HB2 PHE 29 11.104 11.003 -11.167
242 HB3 PHE 29 HB3 PHE 29 11.479 12.643 -11.697
243 HD1 PHE 29 HD2 PHE 29 10.562 14.614 -10.365
244 HD2 PHE 29 HD1 PHE 29 10.099 10.563 -8.990
245 HE1 PHE 29 HE2 PHE 29 10.213 15.429 -8.055
246 HE2 PHE 29 HE1 PHE 29 9.778 11.384 -6.683
247 HZ PHE 29 HZ PHE 29 9.849 13.818 -6.205
248 H ASP 30 H ASP 30 8.250 11.793 -14.512
249 HA ASP 30 HA ASP 30 8.380 12.899 -16.444
250 HB2 ASP 30 HB2 ASP 30 7.213 14.493 -14.777
251 HB3 ASP 30 HB3 ASP 30 8.709 15.456 -14.760
252 HN1 NH2 31 HN1 NH2 31 10.468 12.158 -17.372
253 HN2 NH2 31 HN2 NH2 31 11.926 13.024 -17.097
Start of MODEL 9
1 H1 ACE 0 H1 ACE 0 -4.128 -4.075 -2.119
2 H2 ACE 0 H2 ACE 0 -3.219 -3.283 -0.788
3 H3 ACE 0 H3 ACE 0 -3.545 -5.046 -0.731
4 H LYS 1 H LYS 1 -2.093 -2.637 -3.092
5 HA LYS 1 HA LYS 1 -0.131 -4.783 -3.792
6 HB2 LYS 1 HB2 LYS 1 -1.759 -3.519 -5.483
7 HB3 LYS 1 HB3 LYS 1 -0.533 -2.237 -5.367
8 HG2 LYS 1 HG2 LYS 1 1.223 -4.026 -5.938
9 HG3 LYS 1 HG3 LYS 1 -0.077 -5.222 -6.153
10 HD2 LYS 1 HD2 LYS 1 -0.247 -2.592 -7.634
11 HD3 LYS 1 HD3 LYS 1 0.920 -3.801 -8.232
12 HE2 LYS 1 HE2 LYS 1 -0.699 -5.017 -9.221
13 HE3 LYS 1 HE3 LYS 1 -1.759 -5.027 -7.805
14 HZ1 LYS 1 HZ1 LYS 1 -2.977 -3.272 -8.538
15 HZ2 LYS 1 HZ2 LYS 1 -2.422 -3.832 -10.091
16 HZ3 LYS 1 HZ3 LYS 1 -1.681 -2.460 -9.371
17 H PHE 2 H PHE 2 1.585 -4.502 -2.224
18 HA PHE 2 HA PHE 2 2.388 -1.697 -1.642
19 HB2 PHE 2 HB2 PHE 2 2.020 -3.568 0.125
20 HB3 PHE 2 HB3 PHE 2 3.505 -4.319 -0.503
21 HD1 PHE 2 HD2 PHE 2 2.274 -0.841 0.496
22 HD2 PHE 2 HD1 PHE 2 5.374 -3.804 0.929
23 HE1 PHE 2 HE2 PHE 2 3.559 0.706 1.905
24 HE2 PHE 2 HE1 PHE 2 6.559 -2.311 2.493
25 HZ PHE 2 HZ PHE 2 5.678 -0.039 2.963
26 H GLU 3 H GLU 3 2.809 -2.142 -4.358
27 HA GLU 3 HA GLU 3 5.702 -2.040 -4.400
28 HB2 GLU 3 HB2 GLU 3 5.287 -4.506 -4.331
29 HB3 GLU 3 HB3 GLU 3 4.232 -4.391 -5.764
30 HG2 GLU 3 HG2 GLU 3 6.087 -4.180 -7.213
31 HG3 GLU 3 HG3 GLU 3 6.955 -3.189 -6.001
32 H ASP 4 H ASP 4 4.263 0.100 -4.933
33 HA ASP 4 HA ASP 4 4.363 0.342 -7.896
34 HB2 ASP 4 HB2 ASP 4 1.867 1.085 -6.269
35 HB3 ASP 4 HB3 ASP 4 2.051 1.130 -8.044
36 H TRP 5 H TRP 5 3.718 2.802 -8.444
37 HA TRP 5 HA TRP 5 4.473 4.579 -6.179
38 HB2 TRP 5 HB2 TRP 5 6.100 5.780 -7.802
39 HB3 TRP 5 HB3 TRP 5 6.627 4.185 -7.199
40 HD1 TRP 5 HD1 TRP 5 6.885 2.336 -8.823
41 HE1 TRP 5 HE1 TRP 5 6.818 2.034 -11.402
42 HE3 TRP 5 HE3 TRP 5 4.733 6.798 -10.061
43 HZ2 TRP 5 HZ2 TRP 5 6.124 3.518 -13.603
44 HZ3 TRP 5 HZ3 TRP 5 4.444 7.299 -12.534
45 HH2 TRP 5 HH2 TRP 5 5.206 5.751 -14.217
46 H LEU 6 H LEU 6 4.046 6.926 -6.749
47 HA LEU 6 HA LEU 6 1.571 6.951 -8.412
48 HB2 LEU 6 HB2 LEU 6 2.501 8.991 -6.342
49 HB3 LEU 6 HB3 LEU 6 0.999 8.967 -7.291
50 HG LEU 6 HG LEU 6 0.830 6.453 -6.107
51 HD11 LEU 6 HD11 LEU 6 1.436 6.734 -3.663
52 HD12 LEU 6 HD12 LEU 6 2.337 8.216 -4.075
53 HD13 LEU 6 HD13 LEU 6 2.853 6.629 -4.722
54 HD21 LEU 6 HD21 LEU 6 -1.012 7.965 -6.093
55 HD22 LEU 6 HD22 LEU 6 -0.145 9.179 -5.099
56 HD23 LEU 6 HD23 LEU 6 -0.678 7.634 -4.373
57 H CYS 7 H CYS 7 1.815 7.964 -10.469
58 HA CYS 7 HA CYS 7 4.289 9.083 -11.223
59 HB2 CYS 7 HB2 CYS 7 2.354 8.320 -12.813
60 HB3 CYS 7 HB3 CYS 7 1.490 9.779 -12.294
61 H ASN 8 H ASN 8 5.007 11.257 -11.718
62 HA ASN 8 HA ASN 8 3.925 13.139 -9.666
63 HB2 ASN 8 HB2 ASN 8 6.556 12.375 -10.357
64 HB3 ASN 8 HB3 ASN 8 6.380 13.925 -11.187
65 HD21 ASN 8 HD21 ASN 8 7.364 15.477 -9.685
66 HD22 ASN 8 HD22 ASN 8 7.158 15.369 -7.971
67 H LYS 9 H LYS 9 2.510 12.542 -12.217
68 HA LYS 9 HA LYS 9 2.367 15.343 -13.191
69 HB2 LYS 9 HB2 LYS 9 3.818 13.640 -14.616
70 HB3 LYS 9 HB3 LYS 9 2.267 12.933 -15.084
71 HG2 LYS 9 HG2 LYS 9 2.101 14.501 -16.736
72 HG3 LYS 9 HG3 LYS 9 1.873 15.742 -15.484
73 HD2 LYS 9 HD2 LYS 9 4.406 16.008 -15.354
74 HD3 LYS 9 HD3 LYS 9 4.571 14.758 -16.620
75 HE2 LYS 9 HE2 LYS 9 4.816 16.934 -17.631
76 HE3 LYS 9 HE3 LYS 9 3.325 16.172 -18.241
77 HZ1 LYS 9 HZ1 LYS 9 3.024 17.963 -15.858
78 HZ2 LYS 9 HZ2 LYS 9 1.990 17.751 -17.251
79 HZ3 LYS 9 HZ3 LYS 9 3.438 18.714 -17.361
80 H CYS 10 H CYS 10 0.790 12.006 -13.473
81 HA CYS 10 HA CYS 10 -1.832 13.427 -13.156
82 HB2 CYS 10 HB2 CYS 10 -2.751 11.462 -14.253
83 HB3 CYS 10 HB3 CYS 10 -1.451 12.142 -15.282
84 H CYS 11 H CYS 11 0.454 11.727 -11.132
85 HA CYS 11 HA CYS 11 0.149 10.756 -9.113
86 HB2 CYS 11 HB2 CYS 11 -1.581 12.791 -9.137
87 HB3 CYS 11 HB3 CYS 11 -2.790 11.472 -9.026
88 HG CYS 11 HG CYS 11 -2.033 12.275 -6.745
89 H LEU 12 H LEU 12 -0.620 9.221 -11.758
90 HA LEU 12 HA LEU 12 -2.631 7.463 -10.746
91 HB2 LEU 12 HB2 LEU 12 -2.572 7.998 -13.087
92 HB3 LEU 12 HB3 LEU 12 -0.948 7.301 -13.302
93 HG LEU 12 HG LEU 12 -2.985 5.946 -14.097
94 HD11 LEU 12 HD11 LEU 12 -1.963 3.702 -13.037
95 HD12 LEU 12 HD12 LEU 12 -0.651 4.825 -12.616
96 HD13 LEU 12 HD13 LEU 12 -1.152 4.628 -14.317
97 HD21 LEU 12 HD21 LEU 12 -4.448 4.811 -12.828
98 HD22 LEU 12 HD22 LEU 12 -4.261 6.267 -11.827
99 HD23 LEU 12 HD23 LEU 12 -3.416 4.757 -11.394
100 H ASN 13 H ASN 13 -2.242 5.541 -9.649
101 HA ASN 13 HA ASN 13 0.347 4.933 -8.772
102 HB2 ASN 13 HB2 ASN 13 -2.263 4.039 -8.049
103 HB3 ASN 13 HB3 ASN 13 -1.452 2.566 -8.588
104 HD21 ASN 13 HD21 ASN 13 -2.315 3.299 -5.840
105 HD22 ASN 13 HD22 ASN 13 -0.858 3.311 -4.915
106 H ASN 14 H ASN 14 2.026 3.978 -10.092
107 HA ASN 14 HA ASN 14 1.095 2.029 -12.190
108 HB2 ASN 14 HB2 ASN 14 3.403 3.948 -12.049
109 HB3 ASN 14 HB3 ASN 14 3.480 2.555 -13.148
110 HD21 ASN 14 HD21 ASN 14 2.105 5.776 -12.700
111 HD22 ASN 14 HD22 ASN 14 1.053 5.660 -14.053
112 H PHE 15 H PHE 15 2.017 -0.020 -12.159
113 HA PHE 15 HA PHE 15 3.146 -1.195 -10.086
114 HB2 PHE 15 HB2 PHE 15 2.898 -1.955 -12.860
115 HB3 PHE 15 HB3 PHE 15 4.558 -2.292 -12.408
116 HD1 PHE 15 HD1 PHE 15 4.856 -3.587 -10.045
117 HD2 PHE 15 HD2 PHE 15 1.179 -3.525 -12.273
118 HE1 PHE 15 HE1 PHE 15 4.188 -5.643 -8.946
119 HE2 PHE 15 HE2 PHE 15 0.561 -5.675 -11.246
120 HZ PHE 15 HZ PHE 15 2.016 -6.708 -9.516
121 H ARG 16 H ARG 16 5.189 -1.516 -9.073
122 HA ARG 16 HA ARG 16 7.300 0.369 -9.657
123 HB2 ARG 16 HB2 ARG 16 7.048 -2.076 -7.926
124 HB3 ARG 16 HB3 ARG 16 8.684 -1.566 -8.337
125 HG2 ARG 16 HG2 ARG 16 8.149 0.773 -7.452
126 HG3 ARG 16 HG3 ARG 16 6.606 0.119 -6.867
127 HD2 ARG 16 HD2 ARG 16 8.628 -1.689 -5.970
128 HD3 ARG 16 HD3 ARG 16 9.390 -0.097 -5.783
129 HE ARG 16 HE ARG 16 6.900 0.222 -4.583
130 HH11 ARG 16 HH12 ARG 16 9.743 -1.952 -4.089
131 HH12 ARG 16 HH11 ARG 16 9.348 -2.179 -2.400
132 HH21 ARG 16 HH22 ARG 16 6.508 -0.141 -2.406
133 HH22 ARG 16 HH21 ARG 16 7.580 -1.166 -1.459
134 H LYS 17 H LYS 17 6.674 -2.791 -11.016
135 HA LYS 17 HA LYS 17 9.375 -3.053 -12.015
136 HB2 LYS 17 HB2 LYS 17 6.638 -4.329 -12.705
137 HB3 LYS 17 HB3 LYS 17 8.044 -4.667 -13.718
138 HG2 LYS 17 HG2 LYS 17 8.149 -4.992 -10.671
139 HG3 LYS 17 HG3 LYS 17 7.599 -6.300 -11.724
140 HD2 LYS 17 HD2 LYS 17 10.174 -5.135 -12.747
141 HD3 LYS 17 HD3 LYS 17 10.314 -5.642 -11.052
142 HE2 LYS 17 HE2 LYS 17 10.978 -7.429 -12.581
143 HE3 LYS 17 HE3 LYS 17 9.521 -7.924 -11.675
144 HZ1 LYS 17 HZ1 LYS 17 9.424 -8.533 -14.041
145 HZ2 LYS 17 HZ2 LYS 17 9.593 -6.863 -14.523
146 HZ3 LYS 17 HZ3 LYS 17 8.151 -7.415 -13.708
147 H ARG 18 H ARG 18 6.984 -0.691 -12.780
148 HA ARG 18 HA ARG 18 7.746 -0.748 -15.637
149 HB2 ARG 18 HB2 ARG 18 5.377 0.100 -14.118
150 HB3 ARG 18 HB3 ARG 18 6.137 1.527 -14.814
151 HG2 ARG 18 HG2 ARG 18 6.079 -0.143 -17.054
152 HG3 ARG 18 HG3 ARG 18 4.754 -0.835 -16.095
153 HD2 ARG 18 HD2 ARG 18 4.303 2.051 -16.054
154 HD3 ARG 18 HD3 ARG 18 4.927 1.647 -17.657
155 HE ARG 18 HE ARG 18 2.962 0.612 -18.169
156 HH11 ARG 18 HH12 ARG 18 3.224 0.744 -14.582
157 HH12 ARG 18 HH11 ARG 18 1.550 0.284 -14.381
158 HH21 ARG 18 HH22 ARG 18 0.831 -0.033 -17.763
159 HH22 ARG 18 HH21 ARG 18 0.239 -0.174 -16.111
160 H LEU 19 H LEU 19 8.325 1.426 -16.584
161 HA LEU 19 HA LEU 19 9.861 3.151 -14.642
162 HB2 LEU 19 HB2 LEU 19 10.595 1.971 -17.354
163 HB3 LEU 19 HB3 LEU 19 11.541 3.278 -16.622
164 HG LEU 19 HG LEU 19 11.115 0.737 -14.965
165 HD11 LEU 19 HD11 LEU 19 11.724 -0.347 -16.915
166 HD12 LEU 19 HD12 LEU 19 13.300 -0.129 -16.117
167 HD13 LEU 19 HD13 LEU 19 12.832 0.946 -17.466
168 HD21 LEU 19 HD21 LEU 19 12.238 2.406 -13.725
169 HD22 LEU 19 HD22 LEU 19 13.251 2.944 -15.094
170 HD23 LEU 19 HD23 LEU 19 13.561 1.377 -14.316
171 H LYS 20 H LYS 20 7.018 3.390 -16.082
172 HA LYS 20 HA LYS 20 7.422 6.060 -16.685
173 HB2 LYS 20 HB2 LYS 20 6.826 6.057 -19.180
174 HB3 LYS 20 HB3 LYS 20 8.459 5.474 -18.822
175 HG2 LYS 20 HG2 LYS 20 7.020 3.075 -18.690
176 HG3 LYS 20 HG3 LYS 20 6.066 3.970 -19.904
177 HD2 LYS 20 HD2 LYS 20 8.313 4.373 -21.146
178 HD3 LYS 20 HD3 LYS 20 9.075 3.358 -19.876
179 HE2 LYS 20 HE2 LYS 20 7.266 1.547 -20.584
180 HE3 LYS 20 HE3 LYS 20 7.056 2.554 -22.035
181 HZ1 LYS 20 HZ1 LYS 20 8.830 1.438 -22.904
182 HZ2 LYS 20 HZ2 LYS 20 9.144 0.644 -21.388
183 HZ3 LYS 20 HZ3 LYS 20 9.876 2.173 -21.744
184 H CYS 21 H CYS 21 5.412 7.112 -16.558
185 HA CYS 21 HA CYS 21 3.331 5.481 -15.583
186 HB2 CYS 21 HB2 CYS 21 3.621 7.849 -15.019
187 HB3 CYS 21 HB3 CYS 21 3.290 8.349 -16.724
188 H PHE 22 H PHE 22 1.677 4.315 -16.642
189 HA PHE 22 HA PHE 22 1.759 4.326 -19.579
190 HB2 PHE 22 HB2 PHE 22 1.375 2.376 -17.875
191 HB3 PHE 22 HB3 PHE 22 -0.308 2.925 -17.777
192 HD1 PHE 22 HD2 PHE 22 2.420 2.162 -20.322
193 HD2 PHE 22 HD1 PHE 22 -1.747 1.720 -19.319
194 HE1 PHE 22 HE2 PHE 22 2.049 0.908 -22.409
195 HE2 PHE 22 HE1 PHE 22 -2.086 0.387 -21.370
196 HZ PHE 22 HZ PHE 22 -0.200 0.000 -22.934
197 H ARG 23 H ARG 23 -0.094 5.935 -17.064
198 HA ARG 23 HA ARG 23 -2.445 6.340 -18.631
199 HB2 ARG 23 HB2 ARG 23 -2.084 6.440 -16.055
200 HB3 ARG 23 HB3 ARG 23 -1.554 8.104 -16.287
201 HG2 ARG 23 HG2 ARG 23 -3.841 8.173 -17.751
202 HG3 ARG 23 HG3 ARG 23 -4.300 6.827 -16.688
203 HD2 ARG 23 HD2 ARG 23 -3.221 9.362 -15.365
204 HD3 ARG 23 HD3 ARG 23 -4.768 9.472 -16.242
205 HE ARG 23 HE ARG 23 -4.858 7.267 -14.412
206 HH11 ARG 23 HH12 ARG 23 -4.955 10.868 -14.493
207 HH12 ARG 23 HH11 ARG 23 -5.864 10.940 -12.999
208 HH21 ARG 23 HH22 ARG 23 -6.074 7.492 -12.533
209 HH22 ARG 23 HH21 ARG 23 -6.466 9.085 -11.906
210 H CYS 24 H CYS 24 0.128 8.831 -17.580
211 HA CYS 24 HA CYS 24 -0.822 10.528 -19.775
212 HB2 CYS 24 HB2 CYS 24 0.587 12.263 -18.848
213 HB3 CYS 24 HB3 CYS 24 -0.460 11.553 -17.584
214 H GLY 25 H GLY 25 1.733 8.048 -19.183
215 HA2 GLY 25 HA2 GLY 25 3.013 7.224 -20.966
216 HA3 GLY 25 HA3 GLY 25 2.731 8.699 -21.892
217 H ALA 26 H ALA 26 3.451 10.058 -18.927
218 HA ALA 26 HA ALA 26 6.140 10.592 -19.900
219 HB1 ALA 26 HB1 ALA 26 4.514 12.374 -19.028
220 HB2 ALA 26 HB2 ALA 26 4.779 11.703 -17.386
221 HB3 ALA 26 HB3 ALA 26 6.145 12.406 -18.299
222 H ASP 27 H ASP 27 7.968 10.723 -18.216
223 HA ASP 27 HA ASP 27 8.192 8.088 -17.162
224 HB2 ASP 27 HB2 ASP 27 10.098 9.720 -18.022
225 HB3 ASP 27 HB3 ASP 27 10.165 10.192 -16.296
226 H LYS 28 H LYS 28 9.176 7.939 -14.697
227 HA LYS 28 HA LYS 28 6.904 8.409 -13.015
228 HB2 LYS 28 HB2 LYS 28 9.855 7.941 -12.224
229 HB3 LYS 28 HB3 LYS 28 8.470 7.848 -11.108
230 HG2 LYS 28 HG2 LYS 28 7.618 5.923 -12.124
231 HG3 LYS 28 HG3 LYS 28 8.515 6.084 -13.631
232 HD2 LYS 28 HD2 LYS 28 9.610 4.364 -12.629
233 HD3 LYS 28 HD3 LYS 28 10.700 5.704 -12.254
234 HE2 LYS 28 HE2 LYS 28 8.502 4.811 -10.267
235 HE3 LYS 28 HE3 LYS 28 9.953 3.824 -10.486
236 HZ1 LYS 28 HZ1 LYS 28 10.778 5.062 -8.841
237 HZ2 LYS 28 HZ2 LYS 28 9.626 6.346 -9.037
238 HZ3 LYS 28 HZ3 LYS 28 11.074 6.303 -10.011
239 H PHE 29 H PHE 29 10.170 10.033 -13.175
240 HA PHE 29 HA PHE 29 9.047 12.246 -11.484
241 HB2 PHE 29 HB2 PHE 29 11.542 10.799 -11.413
242 HB3 PHE 29 HB3 PHE 29 11.954 12.376 -12.085
243 HD1 PHE 29 HD2 PHE 29 10.146 10.615 -9.323
244 HD2 PHE 29 HD1 PHE 29 12.014 14.295 -10.546
245 HE1 PHE 29 HE2 PHE 29 10.029 11.450 -6.997
246 HE2 PHE 29 HE1 PHE 29 11.901 15.121 -8.218
247 HZ PHE 29 HZ PHE 29 10.907 13.704 -6.440
248 H ASP 30 H ASP 30 8.548 11.666 -14.563
249 HA ASP 30 HA ASP 30 8.588 12.781 -16.477
250 HB2 ASP 30 HB2 ASP 30 7.633 14.513 -14.883
251 HB3 ASP 30 HB3 ASP 30 9.234 15.311 -14.885
252 HN1 NH2 31 HN1 NH2 31 11.784 13.179 -14.675
253 HN2 NH2 31 HN2 NH2 31 12.600 13.397 -16.162
Start of MODEL 10
1 H1 ACE 0 H1 ACE 0 -3.275 -4.358 -1.716
2 H2 ACE 0 H2 ACE 0 -2.360 -3.468 -0.453
3 H3 ACE 0 H3 ACE 0 -2.547 -5.248 -0.342
4 H LYS 1 H LYS 1 -1.423 -2.789 -2.820
5 HA LYS 1 HA LYS 1 0.683 -4.768 -3.578
6 HB2 LYS 1 HB2 LYS 1 -1.141 -3.633 -5.182
7 HB3 LYS 1 HB3 LYS 1 0.041 -2.307 -5.185
8 HG2 LYS 1 HG2 LYS 1 1.820 -4.019 -5.865
9 HG3 LYS 1 HG3 LYS 1 0.579 -5.298 -5.902
10 HD2 LYS 1 HD2 LYS 1 0.073 -2.752 -7.448
11 HD3 LYS 1 HD3 LYS 1 1.239 -3.907 -8.132
12 HE2 LYS 1 HE2 LYS 1 -0.437 -5.327 -8.796
13 HE3 LYS 1 HE3 LYS 1 -1.354 -5.187 -7.287
14 HZ1 LYS 1 HZ1 LYS 1 -2.375 -4.266 -9.474
15 HZ2 LYS 1 HZ2 LYS 1 -1.372 -2.876 -9.229
16 HZ3 LYS 1 HZ3 LYS 1 -2.518 -3.347 -7.993
17 H PHE 2 H PHE 2 2.369 -4.329 -2.043
18 HA PHE 2 HA PHE 2 3.119 -1.482 -1.554
19 HB2 PHE 2 HB2 PHE 2 4.103 -4.170 -0.434
20 HB3 PHE 2 HB3 PHE 2 4.882 -2.618 -0.067
21 HD1 PHE 2 HD1 PHE 2 3.662 -0.753 1.007
22 HD2 PHE 2 HD2 PHE 2 1.926 -4.681 0.688
23 HE1 PHE 2 HE1 PHE 2 2.116 -0.219 2.856
24 HE2 PHE 2 HE2 PHE 2 0.387 -4.140 2.547
25 HZ PHE 2 HZ PHE 2 0.478 -1.912 3.637
26 H GLU 3 H GLU 3 3.367 -1.941 -4.354
27 HA GLU 3 HA GLU 3 6.244 -1.639 -4.547
28 HB2 GLU 3 HB2 GLU 3 6.009 -4.151 -4.446
29 HB3 GLU 3 HB3 GLU 3 4.884 -4.109 -5.829
30 HG2 GLU 3 HG2 GLU 3 6.648 -3.779 -7.355
31 HG3 GLU 3 HG3 GLU 3 7.525 -2.730 -6.184
32 H ASP 4 H ASP 4 4.715 0.383 -5.026
33 HA ASP 4 HA ASP 4 4.614 0.605 -7.966
34 HB2 ASP 4 HB2 ASP 4 2.116 1.223 -6.306
35 HB3 ASP 4 HB3 ASP 4 2.233 1.093 -8.079
36 H TRP 5 H TRP 5 3.743 2.922 -8.542
37 HA TRP 5 HA TRP 5 4.465 4.810 -6.362
38 HB2 TRP 5 HB2 TRP 5 5.945 6.050 -8.079
39 HB3 TRP 5 HB3 TRP 5 6.581 4.498 -7.461
40 HD1 TRP 5 HD1 TRP 5 6.861 2.605 -9.080
41 HE1 TRP 5 HE1 TRP 5 6.762 2.326 -11.670
42 HE3 TRP 5 HE3 TRP 5 4.511 6.987 -10.226
43 HZ2 TRP 5 HZ2 TRP 5 6.000 3.816 -13.835
44 HZ3 TRP 5 HZ3 TRP 5 4.184 7.512 -12.695
45 HH2 TRP 5 HH2 TRP 5 4.964 6.039 -14.383
46 H LEU 6 H LEU 6 3.863 7.077 -6.931
47 HA LEU 6 HA LEU 6 1.382 6.992 -8.590
48 HB2 LEU 6 HB2 LEU 6 2.233 8.786 -6.261
49 HB3 LEU 6 HB3 LEU 6 0.970 9.216 -7.430
50 HG LEU 6 HG LEU 6 0.088 6.655 -6.757
51 HD11 LEU 6 HD11 LEU 6 1.961 6.423 -5.052
52 HD12 LEU 6 HD12 LEU 6 0.312 6.279 -4.376
53 HD13 LEU 6 HD13 LEU 6 1.234 7.795 -4.151
54 HD21 LEU 6 HD21 LEU 6 -1.308 8.655 -6.829
55 HD22 LEU 6 HD22 LEU 6 -0.540 9.300 -5.345
56 HD23 LEU 6 HD23 LEU 6 -1.544 7.816 -5.272
57 H CYS 7 H CYS 7 1.560 7.876 -10.591
58 HA CYS 7 HA CYS 7 3.857 9.222 -11.422
59 HB2 CYS 7 HB2 CYS 7 2.036 8.273 -12.927
60 HB3 CYS 7 HB3 CYS 7 0.989 9.641 -12.441
61 H ASN 8 H ASN 8 4.430 11.445 -11.885
62 HA ASN 8 HA ASN 8 3.217 13.302 -9.899
63 HB2 ASN 8 HB2 ASN 8 5.926 12.720 -10.684
64 HB3 ASN 8 HB3 ASN 8 5.596 14.324 -11.346
65 HD21 ASN 8 HD21 ASN 8 4.344 15.844 -9.639
66 HD22 ASN 8 HD22 ASN 8 4.971 15.724 -8.025
67 H LYS 9 H LYS 9 1.850 12.563 -12.470
68 HA LYS 9 HA LYS 9 1.581 15.332 -13.531
69 HB2 LYS 9 HB2 LYS 9 2.908 13.203 -14.931
70 HB3 LYS 9 HB3 LYS 9 1.261 13.179 -15.574
71 HG2 LYS 9 HG2 LYS 9 2.195 14.607 -17.049
72 HG3 LYS 9 HG3 LYS 9 1.497 15.774 -15.904
73 HD2 LYS 9 HD2 LYS 9 3.627 16.386 -15.039
74 HD3 LYS 9 HD3 LYS 9 4.418 14.857 -15.510
75 HE2 LYS 9 HE2 LYS 9 4.507 15.373 -17.811
76 HE3 LYS 9 HE3 LYS 9 3.368 16.746 -17.668
77 HZ1 LYS 9 HZ1 LYS 9 6.084 16.679 -16.342
78 HZ2 LYS 9 HZ2 LYS 9 4.962 18.028 -16.449
79 HZ3 LYS 9 HZ3 LYS 9 5.743 17.418 -17.890
80 H CYS 10 H CYS 10 0.203 11.960 -13.905
81 HA CYS 10 HA CYS 10 -2.482 13.183 -13.834
82 HB2 CYS 10 HB2 CYS 10 -3.156 10.987 -14.697
83 HB3 CYS 10 HB3 CYS 10 -1.925 11.713 -15.730
84 H CYS 11 H CYS 11 -0.218 11.761 -11.543
85 HA CYS 11 HA CYS 11 -0.535 11.047 -9.437
86 HB2 CYS 11 HB2 CYS 11 -2.227 13.086 -9.645
87 HB3 CYS 11 HB3 CYS 11 -3.475 11.811 -9.501
88 HG CYS 11 HG CYS 11 -1.226 12.407 -7.470
89 H LEU 12 H LEU 12 -1.190 9.228 -11.850
90 HA LEU 12 HA LEU 12 -3.193 7.469 -10.604
91 HB2 LEU 12 HB2 LEU 12 -3.282 8.080 -12.911
92 HB3 LEU 12 HB3 LEU 12 -1.718 7.321 -13.273
93 HG LEU 12 HG LEU 12 -3.231 5.286 -11.964
94 HD11 LEU 12 HD11 LEU 12 -5.431 5.156 -12.744
95 HD12 LEU 12 HD12 LEU 12 -5.178 6.319 -14.057
96 HD13 LEU 12 HD13 LEU 12 -5.277 6.892 -12.375
97 HD21 LEU 12 HD21 LEU 12 -1.714 5.238 -14.198
98 HD22 LEU 12 HD22 LEU 12 -3.338 5.208 -14.939
99 HD23 LEU 12 HD23 LEU 12 -2.880 3.964 -13.780
100 H ASN 13 H ASN 13 -2.587 5.433 -9.780
101 HA ASN 13 HA ASN 13 0.127 5.095 -9.012
102 HB2 ASN 13 HB2 ASN 13 -2.364 3.855 -8.254
103 HB3 ASN 13 HB3 ASN 13 -1.372 2.556 -8.916
104 HD21 ASN 13 HD21 ASN 13 -2.042 4.262 -6.014
105 HD22 ASN 13 HD22 ASN 13 -0.561 3.879 -5.223
106 H ASN 14 H ASN 14 1.662 3.357 -9.670
107 HA ASN 14 HA ASN 14 0.875 1.873 -12.085
108 HB2 ASN 14 HB2 ASN 14 3.552 3.198 -12.331
109 HB3 ASN 14 HB3 ASN 14 2.368 2.809 -13.589
110 HD21 ASN 14 HD21 ASN 14 1.070 4.680 -14.277
111 HD22 ASN 14 HD22 ASN 14 0.973 6.121 -13.330
112 H PHE 15 H PHE 15 1.992 -0.084 -12.242
113 HA PHE 15 HA PHE 15 3.157 -1.114 -9.980
114 HB2 PHE 15 HB2 PHE 15 2.589 -2.196 -12.533
115 HB3 PHE 15 HB3 PHE 15 4.328 -2.402 -12.382
116 HD1 PHE 15 HD1 PHE 15 4.961 -3.312 -9.763
117 HD2 PHE 15 HD2 PHE 15 1.267 -3.999 -11.865
118 HE1 PHE 15 HE1 PHE 15 4.517 -5.223 -8.328
119 HE2 PHE 15 HE2 PHE 15 0.976 -6.084 -10.602
120 HZ PHE 15 HZ PHE 15 2.528 -6.656 -8.746
121 H ARG 16 H ARG 16 5.285 -1.204 -9.074
122 HA ARG 16 HA ARG 16 7.243 0.664 -9.975
123 HB2 ARG 16 HB2 ARG 16 7.217 -1.661 -8.100
124 HB3 ARG 16 HB3 ARG 16 8.792 -1.374 -8.825
125 HG2 ARG 16 HG2 ARG 16 8.607 1.038 -8.094
126 HG3 ARG 16 HG3 ARG 16 7.132 0.638 -7.182
127 HD2 ARG 16 HD2 ARG 16 8.302 -0.276 -5.454
128 HD3 ARG 16 HD3 ARG 16 9.310 -1.288 -6.548
129 HE ARG 16 HE ARG 16 10.351 1.298 -6.748
130 HH11 ARG 16 HH12 ARG 16 10.017 -1.334 -4.309
131 HH12 ARG 16 HH11 ARG 16 11.505 -0.856 -3.511
132 HH21 ARG 16 HH22 ARG 16 12.231 1.803 -5.678
133 HH22 ARG 16 HH21 ARG 16 12.737 0.879 -4.268
134 H LYS 17 H LYS 17 6.582 -2.517 -11.178
135 HA LYS 17 HA LYS 17 9.139 -2.782 -12.401
136 HB2 LYS 17 HB2 LYS 17 6.703 -4.413 -12.278
137 HB3 LYS 17 HB3 LYS 17 6.835 -3.911 -13.957
138 HG2 LYS 17 HG2 LYS 17 9.485 -4.784 -13.328
139 HG3 LYS 17 HG3 LYS 17 8.469 -5.802 -12.266
140 HD2 LYS 17 HD2 LYS 17 7.119 -6.437 -14.303
141 HD3 LYS 17 HD3 LYS 17 8.170 -5.387 -15.295
142 HE2 LYS 17 HE2 LYS 17 9.573 -7.114 -15.630
143 HE3 LYS 17 HE3 LYS 17 10.055 -7.028 -13.924
144 HZ1 LYS 17 HZ1 LYS 17 9.259 -9.257 -14.830
145 HZ2 LYS 17 HZ2 LYS 17 7.643 -8.647 -14.785
146 HZ3 LYS 17 HZ3 LYS 17 8.581 -8.732 -13.304
147 H ARG 18 H ARG 18 6.359 -0.747 -13.122
148 HA ARG 18 HA ARG 18 6.822 -0.678 -15.927
149 HB2 ARG 18 HB2 ARG 18 4.732 0.302 -14.212
150 HB3 ARG 18 HB3 ARG 18 5.476 1.758 -14.862
151 HG2 ARG 18 HG2 ARG 18 4.440 -0.659 -16.434
152 HG3 ARG 18 HG3 ARG 18 3.479 0.814 -16.119
153 HD2 ARG 18 HD2 ARG 18 4.807 2.174 -17.592
154 HD3 ARG 18 HD3 ARG 18 6.165 1.026 -17.424
155 HE ARG 18 HE ARG 18 3.829 -0.102 -18.739
156 HH11 ARG 18 HH12 ARG 18 6.777 1.947 -19.290
157 HH12 ARG 18 HH11 ARG 18 6.901 1.406 -20.949
158 HH21 ARG 18 HH22 ARG 18 4.103 -0.684 -20.872
159 HH22 ARG 18 HH21 ARG 18 5.379 0.026 -21.855
160 H LEU 19 H LEU 19 8.363 0.640 -17.052
161 HA LEU 19 HA LEU 19 10.074 2.465 -15.478
162 HB2 LEU 19 HB2 LEU 19 9.952 1.496 -18.409
163 HB3 LEU 19 HB3 LEU 19 11.044 2.799 -17.964
164 HG LEU 19 HG LEU 19 11.172 0.260 -16.311
165 HD11 LEU 19 HD11 LEU 19 13.051 -0.427 -17.991
166 HD12 LEU 19 HD12 LEU 19 12.281 0.707 -19.140
167 HD13 LEU 19 HD13 LEU 19 11.359 -0.691 -18.505
168 HD21 LEU 19 HD21 LEU 19 12.432 2.464 -15.715
169 HD22 LEU 19 HD22 LEU 19 13.346 2.245 -17.232
170 HD23 LEU 19 HD23 LEU 19 13.464 1.026 -15.929
171 H LYS 20 H LYS 20 6.938 3.074 -16.222
172 HA LYS 20 HA LYS 20 7.371 5.768 -16.261
173 HB2 LYS 20 HB2 LYS 20 7.618 4.532 -18.943
174 HB3 LYS 20 HB3 LYS 20 6.138 5.507 -18.943
175 HG2 LYS 20 HG2 LYS 20 7.341 7.521 -18.299
176 HG3 LYS 20 HG3 LYS 20 8.823 6.630 -18.007
177 HD2 LYS 20 HD2 LYS 20 7.699 6.208 -20.724
178 HD3 LYS 20 HD3 LYS 20 8.131 7.909 -20.442
179 HE2 LYS 20 HE2 LYS 20 10.386 7.541 -20.125
180 HE3 LYS 20 HE3 LYS 20 10.211 5.844 -19.625
181 HZ1 LYS 20 HZ1 LYS 20 10.758 6.833 -22.241
182 HZ2 LYS 20 HZ2 LYS 20 9.282 5.938 -22.327
183 HZ3 LYS 20 HZ3 LYS 20 10.688 5.191 -21.661
184 H CYS 21 H CYS 21 5.159 6.959 -17.189
185 HA CYS 21 HA CYS 21 3.167 5.478 -15.680
186 HB2 CYS 21 HB2 CYS 21 3.540 7.927 -15.422
187 HB3 CYS 21 HB3 CYS 21 2.950 8.178 -17.092
188 H PHE 22 H PHE 22 1.344 4.347 -16.515
189 HA PHE 22 HA PHE 22 1.288 4.000 -19.448
190 HB2 PHE 22 HB2 PHE 22 1.121 2.180 -17.357
191 HB3 PHE 22 HB3 PHE 22 -0.600 2.610 -17.496
192 HD1 PHE 22 HD2 PHE 22 2.402 1.946 -19.735
193 HD2 PHE 22 HD1 PHE 22 -1.717 0.986 -18.901
194 HE1 PHE 22 HE2 PHE 22 2.299 0.542 -21.768
195 HE2 PHE 22 HE1 PHE 22 -1.697 -0.650 -20.752
196 HZ PHE 22 HZ PHE 22 0.332 -0.916 -22.159
197 H ARG 23 H ARG 23 0.171 6.427 -17.735
198 HA ARG 23 HA ARG 23 -2.517 6.484 -19.029
199 HB2 ARG 23 HB2 ARG 23 -2.694 6.355 -16.707
200 HB3 ARG 23 HB3 ARG 23 -1.513 7.619 -16.338
201 HG2 ARG 23 HG2 ARG 23 -2.983 9.363 -16.763
202 HG3 ARG 23 HG3 ARG 23 -3.616 8.586 -18.206
203 HD2 ARG 23 HD2 ARG 23 -5.506 8.486 -17.135
204 HD3 ARG 23 HD3 ARG 23 -4.896 6.964 -16.424
205 HE ARG 23 HE ARG 23 -4.027 8.994 -14.723
206 HH11 ARG 23 HH12 ARG 23 -7.219 7.847 -15.871
207 HH12 ARG 23 HH11 ARG 23 -8.045 8.526 -14.480
208 HH21 ARG 23 HH22 ARG 23 -5.161 9.783 -12.938
209 HH22 ARG 23 HH21 ARG 23 -6.905 9.558 -12.834
210 H CYS 24 H CYS 24 0.164 8.692 -17.801
211 HA CYS 24 HA CYS 24 -0.482 10.431 -20.115
212 HB2 CYS 24 HB2 CYS 24 0.636 12.172 -18.845
213 HB3 CYS 24 HB3 CYS 24 -0.549 11.379 -17.804
214 H GLY 25 H GLY 25 1.908 7.912 -19.216
215 HA2 GLY 25 HA2 GLY 25 3.655 7.288 -20.631
216 HA3 GLY 25 HA3 GLY 25 3.544 8.820 -21.497
217 H ALA 26 H ALA 26 3.623 10.405 -18.843
218 HA ALA 26 HA ALA 26 6.358 10.881 -18.937
219 HB1 ALA 26 HB1 ALA 26 6.033 12.528 -17.284
220 HB2 ALA 26 HB2 ALA 26 4.363 12.371 -17.874
221 HB3 ALA 26 HB3 ALA 26 4.852 11.548 -16.366
222 H ASP 27 H ASP 27 8.099 10.559 -17.282
223 HA ASP 27 HA ASP 27 7.707 7.937 -16.026
224 HB2 ASP 27 HB2 ASP 27 9.796 8.686 -17.487
225 HB3 ASP 27 HB3 ASP 27 10.348 9.443 -15.984
226 H LYS 28 H LYS 28 8.277 7.464 -13.846
227 HA LYS 28 HA LYS 28 7.310 9.414 -11.981
228 HB2 LYS 28 HB2 LYS 28 8.336 7.954 -10.247
229 HB3 LYS 28 HB3 LYS 28 7.281 7.082 -11.378
230 HG2 LYS 28 HG2 LYS 28 8.944 5.680 -12.119
231 HG3 LYS 28 HG3 LYS 28 10.099 7.021 -12.341
232 HD2 LYS 28 HD2 LYS 28 11.078 5.577 -10.713
233 HD3 LYS 28 HD3 LYS 28 10.559 7.100 -9.951
234 HE2 LYS 28 HE2 LYS 28 8.286 5.621 -9.518
235 HE3 LYS 28 HE3 LYS 28 9.393 4.258 -9.734
236 HZ1 LYS 28 HZ1 LYS 28 10.322 6.361 -7.808
237 HZ2 LYS 28 HZ2 LYS 28 10.325 4.628 -7.677
238 HZ3 LYS 28 HZ3 LYS 28 8.877 5.555 -7.376
239 H PHE 29 H PHE 29 10.471 9.091 -13.550
240 HA PHE 29 HA PHE 29 11.727 10.786 -11.448
241 HB2 PHE 29 HB2 PHE 29 12.665 8.664 -13.236
242 HB3 PHE 29 HB3 PHE 29 13.508 10.140 -13.683
243 HD1 PHE 29 HD2 PHE 29 14.401 11.588 -11.619
244 HD2 PHE 29 HD1 PHE 29 13.481 7.383 -11.428
245 HE1 PHE 29 HE2 PHE 29 15.941 11.330 -9.696
246 HE2 PHE 29 HE1 PHE 29 15.039 7.131 -9.535
247 HZ PHE 29 HZ PHE 29 16.271 9.099 -8.659
248 H ASP 30 H ASP 30 9.463 11.736 -13.465
249 HA ASP 30 HA ASP 30 11.176 13.816 -14.756
250 HB2 ASP 30 HB2 ASP 30 9.964 12.018 -16.188
251 HB3 ASP 30 HB3 ASP 30 8.470 12.921 -15.879
252 HN1 NH2 31 HN1 NH2 31 7.542 13.561 -13.918
253 HN2 NH2 31 HN2 NH2 31 7.606 15.085 -13.121
Start of MODEL 11
1 H1 ACE 0 H1 ACE 0 -0.336 0.735 1.955
2 H2 ACE 0 H2 ACE 0 -0.329 -1.038 1.868
3 H3 ACE 0 H3 ACE 0 -1.737 -0.136 1.273
4 H LYS 1 H LYS 1 1.810 -0.075 0.831
5 HA LYS 1 HA LYS 1 1.447 0.313 -2.088
6 HB2 LYS 1 HB2 LYS 1 2.870 1.864 -0.422
7 HB3 LYS 1 HB3 LYS 1 4.110 0.656 -0.713
8 HG2 LYS 1 HG2 LYS 1 3.513 1.032 -3.266
9 HG3 LYS 1 HG3 LYS 1 2.683 2.472 -2.671
10 HD2 LYS 1 HD2 LYS 1 4.792 3.277 -3.277
11 HD3 LYS 1 HD3 LYS 1 4.942 3.089 -1.525
12 HE2 LYS 1 HE2 LYS 1 6.090 0.897 -1.874
13 HE3 LYS 1 HE3 LYS 1 5.849 1.063 -3.619
14 HZ1 LYS 1 HZ1 LYS 1 7.936 1.817 -3.351
15 HZ2 LYS 1 HZ2 LYS 1 7.654 2.535 -1.892
16 HZ3 LYS 1 HZ3 LYS 1 7.102 3.237 -3.280
17 H PHE 2 H PHE 2 1.106 -1.832 -2.799
18 HA PHE 2 HA PHE 2 2.945 -3.962 -1.927
19 HB2 PHE 2 HB2 PHE 2 0.536 -3.982 -3.777
20 HB3 PHE 2 HB3 PHE 2 1.530 -5.388 -3.405
21 HD1 PHE 2 HD1 PHE 2 1.772 -6.227 -1.060
22 HD2 PHE 2 HD2 PHE 2 -1.199 -3.325 -2.229
23 HE1 PHE 2 HE1 PHE 2 0.442 -6.778 0.959
24 HE2 PHE 2 HE2 PHE 2 -2.531 -3.882 -0.210
25 HZ PHE 2 HZ PHE 2 -1.716 -5.614 1.382
26 H GLU 3 H GLU 3 4.620 -2.303 -2.993
27 HA GLU 3 HA GLU 3 6.274 -2.120 -4.507
28 HB2 GLU 3 HB2 GLU 3 6.012 -4.704 -4.316
29 HB3 GLU 3 HB3 GLU 3 5.276 -4.639 -5.893
30 HG2 GLU 3 HG2 GLU 3 7.788 -3.166 -5.948
31 HG3 GLU 3 HG3 GLU 3 8.036 -4.690 -5.137
32 H ASP 4 H ASP 4 4.661 -0.258 -4.965
33 HA ASP 4 HA ASP 4 4.283 -0.059 -7.870
34 HB2 ASP 4 HB2 ASP 4 2.030 0.615 -5.935
35 HB3 ASP 4 HB3 ASP 4 1.985 0.719 -7.690
36 H TRP 5 H TRP 5 3.503 2.324 -8.328
37 HA TRP 5 HA TRP 5 4.321 4.320 -6.330
38 HB2 TRP 5 HB2 TRP 5 5.811 5.447 -7.965
39 HB3 TRP 5 HB3 TRP 5 6.417 3.879 -7.465
40 HD1 TRP 5 HD1 TRP 5 6.643 2.017 -9.253
41 HE1 TRP 5 HE1 TRP 5 6.492 1.904 -11.792
42 HE3 TRP 5 HE3 TRP 5 4.404 6.507 -10.090
43 HZ2 TRP 5 HZ2 TRP 5 5.693 3.695 -13.971
44 HZ3 TRP 5 HZ3 TRP 5 3.824 7.213 -12.397
45 HH2 TRP 5 HH2 TRP 5 4.514 5.850 -14.301
46 H LEU 6 H LEU 6 3.802 6.582 -7.204
47 HA LEU 6 HA LEU 6 1.411 6.493 -8.965
48 HB2 LEU 6 HB2 LEU 6 0.217 7.826 -7.528
49 HB3 LEU 6 HB3 LEU 6 1.068 6.747 -6.455
50 HG LEU 6 HG LEU 6 2.876 8.717 -6.360
51 HD11 LEU 6 HD11 LEU 6 0.664 9.973 -7.822
52 HD12 LEU 6 HD12 LEU 6 2.279 10.600 -7.457
53 HD13 LEU 6 HD13 LEU 6 0.960 10.814 -6.301
54 HD21 LEU 6 HD21 LEU 6 1.816 7.900 -4.411
55 HD22 LEU 6 HD22 LEU 6 0.257 8.643 -4.845
56 HD23 LEU 6 HD23 LEU 6 1.651 9.660 -4.399
57 H CYS 7 H CYS 7 1.342 7.929 -10.642
58 HA CYS 7 HA CYS 7 3.742 9.198 -11.467
59 HB2 CYS 7 HB2 CYS 7 1.839 8.352 -12.953
60 HB3 CYS 7 HB3 CYS 7 0.946 9.820 -12.485
61 H ASN 8 H ASN 8 4.395 11.324 -11.440
62 HA ASN 8 HA ASN 8 3.204 13.031 -9.360
63 HB2 ASN 8 HB2 ASN 8 5.291 14.372 -9.740
64 HB3 ASN 8 HB3 ASN 8 5.535 12.714 -9.214
65 HD21 ASN 8 HD21 ASN 8 7.687 12.688 -10.007
66 HD22 ASN 8 HD22 ASN 8 8.031 12.590 -11.719
67 H LYS 9 H LYS 9 1.980 12.576 -12.182
68 HA LYS 9 HA LYS 9 1.638 15.449 -12.866
69 HB2 LYS 9 HB2 LYS 9 3.040 13.563 -14.386
70 HB3 LYS 9 HB3 LYS 9 1.474 13.595 -15.169
71 HG2 LYS 9 HG2 LYS 9 3.079 16.115 -14.528
72 HG3 LYS 9 HG3 LYS 9 3.315 15.163 -15.982
73 HD2 LYS 9 HD2 LYS 9 1.979 16.902 -16.671
74 HD3 LYS 9 HD3 LYS 9 0.868 15.539 -16.564
75 HE2 LYS 9 HE2 LYS 9 -0.276 16.450 -14.744
76 HE3 LYS 9 HE3 LYS 9 1.119 17.407 -14.204
77 HZ1 LYS 9 HZ1 LYS 9 -0.381 17.950 -16.663
78 HZ2 LYS 9 HZ2 LYS 9 0.813 18.868 -15.997
79 HZ3 LYS 9 HZ3 LYS 9 -0.636 18.723 -15.225
80 H CYS 10 H CYS 10 0.247 12.222 -13.729
81 HA CYS 10 HA CYS 10 -2.467 13.363 -13.591
82 HB2 CYS 10 HB2 CYS 10 -3.071 11.213 -14.640
83 HB3 CYS 10 HB3 CYS 10 -1.855 12.099 -15.583
84 H CYS 11 H CYS 11 -0.383 11.807 -11.402
85 HA CYS 11 HA CYS 11 -0.657 10.825 -9.407
86 HB2 CYS 11 HB2 CYS 11 -3.586 11.544 -9.483
87 HB3 CYS 11 HB3 CYS 11 -2.556 11.252 -8.075
88 HG CYS 11 HG CYS 11 -2.313 13.636 -10.331
89 H LEU 12 H LEU 12 -1.313 9.281 -12.037
90 HA LEU 12 HA LEU 12 -3.158 7.193 -11.209
91 HB2 LEU 12 HB2 LEU 12 -2.802 7.944 -13.607
92 HB3 LEU 12 HB3 LEU 12 -1.173 7.274 -13.507
93 HG LEU 12 HG LEU 12 -2.556 5.084 -12.721
94 HD11 LEU 12 HD11 LEU 12 -4.728 6.500 -12.958
95 HD12 LEU 12 HD12 LEU 12 -4.683 4.804 -13.458
96 HD13 LEU 12 HD13 LEU 12 -4.582 6.093 -14.679
97 HD21 LEU 12 HD21 LEU 12 -2.794 4.889 -15.527
98 HD22 LEU 12 HD22 LEU 12 -1.504 4.293 -14.480
99 HD23 LEU 12 HD23 LEU 12 -1.365 5.889 -15.209
100 H ASN 13 H ASN 13 -2.626 5.197 -10.300
101 HA ASN 13 HA ASN 13 0.060 4.759 -9.328
102 HB2 ASN 13 HB2 ASN 13 -2.515 3.790 -8.631
103 HB3 ASN 13 HB3 ASN 13 -1.632 2.386 -9.222
104 HD21 ASN 13 HD21 ASN 13 -1.196 5.266 -7.078
105 HD22 ASN 13 HD22 ASN 13 -0.223 4.436 -5.882
106 H ASN 14 H ASN 14 1.397 2.894 -9.857
107 HA ASN 14 HA ASN 14 0.879 1.332 -12.267
108 HB2 ASN 14 HB2 ASN 14 2.953 3.538 -12.107
109 HB3 ASN 14 HB3 ASN 14 3.234 2.126 -13.131
110 HD21 ASN 14 HD21 ASN 14 1.057 1.555 -14.498
111 HD22 ASN 14 HD22 ASN 14 0.429 2.935 -15.372
112 H PHE 15 H PHE 15 2.300 -0.450 -12.466
113 HA PHE 15 HA PHE 15 3.175 -1.588 -10.044
114 HB2 PHE 15 HB2 PHE 15 2.966 -2.380 -12.822
115 HB3 PHE 15 HB3 PHE 15 4.550 -2.835 -12.237
116 HD1 PHE 15 HD1 PHE 15 0.912 -3.356 -11.830
117 HD2 PHE 15 HD2 PHE 15 4.828 -4.464 -10.390
118 HE1 PHE 15 HE1 PHE 15 -0.063 -5.318 -10.669
119 HE2 PHE 15 HE2 PHE 15 3.845 -6.418 -9.232
120 HZ PHE 15 HZ PHE 15 1.401 -6.858 -9.379
121 H ARG 16 H ARG 16 5.280 -1.992 -9.148
122 HA ARG 16 HA ARG 16 7.213 0.072 -9.555
123 HB2 ARG 16 HB2 ARG 16 6.967 -2.332 -7.904
124 HB3 ARG 16 HB3 ARG 16 8.615 -2.030 -8.361
125 HG2 ARG 16 HG2 ARG 16 7.173 0.416 -7.443
126 HG3 ARG 16 HG3 ARG 16 7.267 -0.834 -6.226
127 HD2 ARG 16 HD2 ARG 16 9.827 -0.286 -7.663
128 HD3 ARG 16 HD3 ARG 16 9.193 1.007 -6.636
129 HE ARG 16 HE ARG 16 9.103 -1.506 -5.256
130 HH11 ARG 16 HH12 ARG 16 11.406 0.999 -6.267
131 HH12 ARG 16 HH11 ARG 16 12.435 0.793 -4.873
132 HH21 ARG 16 HH22 ARG 16 10.476 -1.756 -3.426
133 HH22 ARG 16 HH21 ARG 16 11.909 -0.777 -3.273
134 H LYS 17 H LYS 17 6.848 -3.100 -11.062
135 HA LYS 17 HA LYS 17 9.375 -3.213 -12.360
136 HB2 LYS 17 HB2 LYS 17 7.923 -5.144 -12.201
137 HB3 LYS 17 HB3 LYS 17 6.643 -4.317 -13.108
138 HG2 LYS 17 HG2 LYS 17 8.046 -4.275 -15.126
139 HG3 LYS 17 HG3 LYS 17 9.398 -5.012 -14.241
140 HD2 LYS 17 HD2 LYS 17 8.156 -7.078 -13.981
141 HD3 LYS 17 HD3 LYS 17 6.657 -6.301 -14.549
142 HE2 LYS 17 HE2 LYS 17 7.708 -5.884 -16.752
143 HE3 LYS 17 HE3 LYS 17 9.159 -6.760 -16.231
144 HZ1 LYS 17 HZ1 LYS 17 8.119 -8.693 -16.465
145 HZ2 LYS 17 HZ2 LYS 17 7.087 -7.860 -17.448
146 HZ3 LYS 17 HZ3 LYS 17 6.679 -8.146 -15.876
147 H ARG 18 H ARG 18 6.472 -1.260 -13.037
148 HA ARG 18 HA ARG 18 6.864 -0.801 -15.788
149 HB2 ARG 18 HB2 ARG 18 4.979 0.043 -13.930
150 HB3 ARG 18 HB3 ARG 18 5.881 1.518 -14.216
151 HG2 ARG 18 HG2 ARG 18 4.451 1.801 -15.950
152 HG3 ARG 18 HG3 ARG 18 5.460 0.628 -16.802
153 HD2 ARG 18 HD2 ARG 18 3.913 -1.163 -15.624
154 HD3 ARG 18 HD3 ARG 18 2.846 0.208 -15.301
155 HE ARG 18 HE ARG 18 2.208 0.226 -17.505
156 HH11 ARG 18 HH12 ARG 18 5.156 -1.748 -17.238
157 HH12 ARG 18 HH11 ARG 18 5.088 -2.289 -18.895
158 HH21 ARG 18 HH22 ARG 18 2.143 -0.504 -19.670
159 HH22 ARG 18 HH21 ARG 18 3.369 -1.591 -20.267
160 H LEU 19 H LEU 19 7.524 1.266 -16.784
161 HA LEU 19 HA LEU 19 10.023 2.311 -15.557
162 HB2 LEU 19 HB2 LEU 19 10.607 2.956 -17.878
163 HB3 LEU 19 HB3 LEU 19 10.672 1.253 -17.497
164 HG LEU 19 HG LEU 19 8.235 2.409 -18.912
165 HD11 LEU 19 HD11 LEU 19 10.154 3.165 -20.183
166 HD12 LEU 19 HD12 LEU 19 9.338 1.865 -21.059
167 HD13 LEU 19 HD13 LEU 19 10.852 1.529 -20.183
168 HD21 LEU 19 HD21 LEU 19 7.673 0.205 -18.455
169 HD22 LEU 19 HD22 LEU 19 9.357 -0.356 -18.451
170 HD23 LEU 19 HD23 LEU 19 8.525 -0.039 -19.979
171 H LYS 20 H LYS 20 7.027 3.274 -17.291
172 HA LYS 20 HA LYS 20 7.235 5.958 -16.151
173 HB2 LYS 20 HB2 LYS 20 7.140 7.078 -18.307
174 HB3 LYS 20 HB3 LYS 20 8.539 6.007 -18.291
175 HG2 LYS 20 HG2 LYS 20 6.808 4.294 -19.417
176 HG3 LYS 20 HG3 LYS 20 5.933 5.780 -19.805
177 HD2 LYS 20 HD2 LYS 20 7.803 6.633 -21.080
178 HD3 LYS 20 HD3 LYS 20 8.871 5.326 -20.509
179 HE2 LYS 20 HE2 LYS 20 7.585 3.642 -21.654
180 HE3 LYS 20 HE3 LYS 20 6.294 4.800 -22.022
181 HZ1 LYS 20 HZ1 LYS 20 7.364 4.858 -23.939
182 HZ2 LYS 20 HZ2 LYS 20 8.830 4.419 -23.321
183 HZ3 LYS 20 HZ3 LYS 20 8.305 5.978 -23.180
184 H CYS 21 H CYS 21 5.243 7.191 -16.555
185 HA CYS 21 HA CYS 21 3.005 5.593 -15.881
186 HB2 CYS 21 HB2 CYS 21 3.394 7.978 -15.196
187 HB3 CYS 21 HB3 CYS 21 2.977 8.474 -16.863
188 H PHE 22 H PHE 22 1.639 4.509 -17.149
189 HA PHE 22 HA PHE 22 1.991 4.620 -20.024
190 HB2 PHE 22 HB2 PHE 22 1.483 2.578 -18.471
191 HB3 PHE 22 HB3 PHE 22 -0.196 3.085 -18.620
192 HD1 PHE 22 HD1 PHE 22 2.876 2.431 -20.712
193 HD2 PHE 22 HD2 PHE 22 -1.426 2.185 -20.475
194 HE1 PHE 22 HE1 PHE 22 2.823 1.246 -22.888
195 HE2 PHE 22 HE2 PHE 22 -1.468 0.981 -22.644
196 HZ PHE 22 HZ PHE 22 0.652 0.511 -23.853
197 H ARG 23 H ARG 23 0.050 6.391 -17.790
198 HA ARG 23 HA ARG 23 -2.216 6.773 -19.583
199 HB2 ARG 23 HB2 ARG 23 -2.408 6.682 -17.077
200 HB3 ARG 23 HB3 ARG 23 -1.612 8.255 -16.996
201 HG2 ARG 23 HG2 ARG 23 -3.612 8.638 -18.920
202 HG3 ARG 23 HG3 ARG 23 -4.378 7.493 -17.835
203 HD2 ARG 23 HD2 ARG 23 -3.060 10.005 -16.748
204 HD3 ARG 23 HD3 ARG 23 -4.632 10.087 -17.543
205 HE ARG 23 HE ARG 23 -4.566 8.058 -15.485
206 HH11 ARG 23 HH12 ARG 23 -5.004 11.553 -16.029
207 HH12 ARG 23 HH11 ARG 23 -6.045 11.757 -14.644
208 HH21 ARG 23 HH22 ARG 23 -5.974 8.374 -13.689
209 HH22 ARG 23 HH21 ARG 23 -6.574 9.970 -13.324
210 H CYS 24 H CYS 24 0.111 9.133 -18.058
211 HA CYS 24 HA CYS 24 -0.393 11.027 -20.232
212 HB2 CYS 24 HB2 CYS 24 1.046 12.535 -18.913
213 HB3 CYS 24 HB3 CYS 24 -0.326 11.899 -17.993
214 H GLY 25 H GLY 25 1.987 8.563 -19.513
215 HA2 GLY 25 HA2 GLY 25 3.592 7.808 -21.055
216 HA3 GLY 25 HA3 GLY 25 3.559 9.350 -21.888
217 H ALA 26 H ALA 26 3.735 10.552 -18.899
218 HA ALA 26 HA ALA 26 6.561 11.090 -19.167
219 HB1 ALA 26 HB1 ALA 26 6.244 12.765 -17.611
220 HB2 ALA 26 HB2 ALA 26 4.603 12.648 -18.276
221 HB3 ALA 26 HB3 ALA 26 4.991 11.884 -16.716
222 H ASP 27 H ASP 27 8.233 10.584 -17.611
223 HA ASP 27 HA ASP 27 7.914 7.961 -16.440
224 HB2 ASP 27 HB2 ASP 27 10.008 9.077 -17.541
225 HB3 ASP 27 HB3 ASP 27 10.286 9.752 -15.931
226 H LYS 28 H LYS 28 8.173 7.422 -14.191
227 HA LYS 28 HA LYS 28 6.745 9.011 -12.305
228 HB2 LYS 28 HB2 LYS 28 7.653 7.476 -10.618
229 HB3 LYS 28 HB3 LYS 28 6.958 6.628 -11.991
230 HG2 LYS 28 HG2 LYS 28 8.871 5.604 -12.549
231 HG3 LYS 28 HG3 LYS 28 9.835 7.059 -12.364
232 HD2 LYS 28 HD2 LYS 28 10.664 5.438 -10.859
233 HD3 LYS 28 HD3 LYS 28 9.924 6.740 -9.916
234 HE2 LYS 28 HE2 LYS 28 8.040 5.411 -9.344
235 HE3 LYS 28 HE3 LYS 28 8.400 4.216 -10.608
236 HZ1 LYS 28 HZ1 LYS 28 9.251 4.223 -7.983
237 HZ2 LYS 28 HZ2 LYS 28 10.585 4.396 -8.941
238 HZ3 LYS 28 HZ3 LYS 28 9.569 3.121 -9.174
239 H PHE 29 H PHE 29 10.057 9.166 -13.412
240 HA PHE 29 HA PHE 29 10.781 10.966 -11.160
241 HB2 PHE 29 HB2 PHE 29 12.136 8.752 -12.348
242 HB3 PHE 29 HB3 PHE 29 13.038 10.171 -12.808
243 HD1 PHE 29 HD1 PHE 29 11.539 8.372 -9.914
244 HD2 PHE 29 HD2 PHE 29 14.398 11.348 -11.156
245 HE1 PHE 29 HE1 PHE 29 12.506 8.393 -7.629
246 HE2 PHE 29 HE2 PHE 29 15.363 11.367 -8.869
247 HZ PHE 29 HZ PHE 29 14.430 9.880 -7.108
248 H ASP 30 H ASP 30 9.201 11.613 -13.731
249 HA ASP 30 HA ASP 30 9.014 13.225 -15.258
250 HB2 ASP 30 HB2 ASP 30 10.771 14.648 -13.248
251 HB3 ASP 30 HB3 ASP 30 10.351 15.422 -14.769
252 HN1 NH2 31 HN1 NH2 31 12.430 14.206 -14.854
253 HN2 NH2 31 HN2 NH2 31 12.922 13.523 -16.407
Start of MODEL 12
1 H1 ACE 0 H1 ACE 0 2.842 2.493 0.168
2 H2 ACE 0 H2 ACE 0 3.831 1.047 0.552
3 H3 ACE 0 H3 ACE 0 2.601 1.626 1.715
4 H LYS 1 H LYS 1 2.785 0.657 -1.822
5 HA LYS 1 HA LYS 1 0.141 -0.715 -1.415
6 HB2 LYS 1 HB2 LYS 1 0.787 1.397 -3.102
7 HB3 LYS 1 HB3 LYS 1 1.109 0.034 -4.192
8 HG2 LYS 1 HG2 LYS 1 -1.277 -0.637 -4.143
9 HG3 LYS 1 HG3 LYS 1 -1.532 0.245 -2.614
10 HD2 LYS 1 HD2 LYS 1 -1.142 2.396 -3.935
11 HD3 LYS 1 HD3 LYS 1 -1.165 1.385 -5.420
12 HE2 LYS 1 HE2 LYS 1 -3.475 0.579 -4.773
13 HE3 LYS 1 HE3 LYS 1 -3.392 1.553 -3.274
14 HZ1 LYS 1 HZ1 LYS 1 -3.337 2.636 -6.073
15 HZ2 LYS 1 HZ2 LYS 1 -3.205 3.586 -4.582
16 HZ3 LYS 1 HZ3 LYS 1 -4.670 2.715 -4.938
17 H PHE 2 H PHE 2 0.056 -2.329 -3.646
18 HA PHE 2 HA PHE 2 1.936 -4.390 -2.896
19 HB2 PHE 2 HB2 PHE 2 -0.090 -4.165 -5.218
20 HB3 PHE 2 HB3 PHE 2 0.739 -5.660 -4.715
21 HD1 PHE 2 HD2 PHE 2 0.567 -6.217 -2.106
22 HD2 PHE 2 HD1 PHE 2 -2.302 -3.853 -4.281
23 HE1 PHE 2 HE2 PHE 2 -1.150 -6.745 -0.420
24 HE2 PHE 2 HE1 PHE 2 -4.033 -4.451 -2.626
25 HZ PHE 2 HZ PHE 2 -3.467 -5.896 -0.691
26 H GLU 3 H GLU 3 3.769 -2.560 -3.502
27 HA GLU 3 HA GLU 3 5.593 -2.294 -4.804
28 HB2 GLU 3 HB2 GLU 3 5.064 -4.877 -5.027
29 HB3 GLU 3 HB3 GLU 3 4.655 -4.510 -6.708
30 HG2 GLU 3 HG2 GLU 3 7.281 -3.318 -6.056
31 HG3 GLU 3 HG3 GLU 3 7.242 -4.960 -5.461
32 H ASP 4 H ASP 4 4.104 -0.214 -5.197
33 HA ASP 4 HA ASP 4 4.146 0.174 -8.131
34 HB2 ASP 4 HB2 ASP 4 1.664 0.776 -6.447
35 HB3 ASP 4 HB3 ASP 4 1.808 0.976 -8.212
36 H TRP 5 H TRP 5 3.566 2.646 -8.584
37 HA TRP 5 HA TRP 5 4.191 4.341 -6.210
38 HB2 TRP 5 HB2 TRP 5 5.906 5.604 -7.650
39 HB3 TRP 5 HB3 TRP 5 6.392 3.961 -7.154
40 HD1 TRP 5 HD1 TRP 5 6.796 2.273 -8.956
41 HE1 TRP 5 HE1 TRP 5 6.837 2.208 -11.529
42 HE3 TRP 5 HE3 TRP 5 4.568 6.772 -9.852
43 HZ2 TRP 5 HZ2 TRP 5 6.278 3.935 -13.618
44 HZ3 TRP 5 HZ3 TRP 5 4.250 7.443 -12.278
45 HH2 TRP 5 HH2 TRP 5 5.281 6.176 -14.047
46 H LEU 6 H LEU 6 3.829 6.740 -6.734
47 HA LEU 6 HA LEU 6 1.392 6.835 -8.453
48 HB2 LEU 6 HB2 LEU 6 2.323 8.795 -6.296
49 HB3 LEU 6 HB3 LEU 6 0.843 8.866 -7.273
50 HG LEU 6 HG LEU 6 0.635 6.290 -6.209
51 HD11 LEU 6 HD11 LEU 6 1.948 8.027 -4.024
52 HD12 LEU 6 HD12 LEU 6 2.599 6.504 -4.700
53 HD13 LEU 6 HD13 LEU 6 1.105 6.482 -3.736
54 HD21 LEU 6 HD21 LEU 6 -1.163 8.026 -6.273
55 HD22 LEU 6 HD22 LEU 6 -0.400 8.854 -4.877
56 HD23 LEU 6 HD23 LEU 6 -1.079 7.205 -4.694
57 H CYS 7 H CYS 7 1.431 8.197 -10.336
58 HA CYS 7 HA CYS 7 4.014 9.262 -11.046
59 HB2 CYS 7 HB2 CYS 7 2.216 8.451 -12.732
60 HB3 CYS 7 HB3 CYS 7 1.246 9.852 -12.244
61 H ASN 8 H ASN 8 4.636 11.463 -11.506
62 HA ASN 8 HA ASN 8 3.448 13.288 -9.459
63 HB2 ASN 8 HB2 ASN 8 6.168 12.689 -10.266
64 HB3 ASN 8 HB3 ASN 8 5.856 14.354 -10.745
65 HD21 ASN 8 HD21 ASN 8 6.123 12.117 -7.954
66 HD22 ASN 8 HD22 ASN 8 6.100 13.384 -6.779
67 H LYS 9 H LYS 9 2.148 12.635 -12.110
68 HA LYS 9 HA LYS 9 1.799 15.442 -12.998
69 HB2 LYS 9 HB2 LYS 9 2.083 13.066 -14.945
70 HB3 LYS 9 HB3 LYS 9 1.894 14.782 -15.385
71 HG2 LYS 9 HG2 LYS 9 4.284 13.474 -13.984
72 HG3 LYS 9 HG3 LYS 9 4.124 13.885 -15.726
73 HD2 LYS 9 HD2 LYS 9 4.441 16.177 -15.447
74 HD3 LYS 9 HD3 LYS 9 3.754 16.191 -13.824
75 HE2 LYS 9 HE2 LYS 9 5.961 14.840 -13.143
76 HE3 LYS 9 HE3 LYS 9 6.609 15.578 -14.639
77 HZ1 LYS 9 HZ1 LYS 9 5.309 17.204 -12.449
78 HZ2 LYS 9 HZ2 LYS 9 6.382 17.730 -13.749
79 HZ3 LYS 9 HZ3 LYS 9 6.968 16.755 -12.424
80 H CYS 10 H CYS 10 0.511 12.026 -13.491
81 HA CYS 10 HA CYS 10 -2.200 13.299 -13.317
82 HB2 CYS 10 HB2 CYS 10 -2.975 11.277 -14.494
83 HB3 CYS 10 HB3 CYS 10 -1.648 12.063 -15.414
84 H CYS 11 H CYS 11 0.070 11.764 -11.163
85 HA CYS 11 HA CYS 11 -0.280 10.757 -9.163
86 HB2 CYS 11 HB2 CYS 11 -2.268 12.708 -9.449
87 HB3 CYS 11 HB3 CYS 11 -3.211 11.260 -9.008
88 HG CYS 11 HG CYS 11 -1.157 12.790 -7.381
89 H LEU 12 H LEU 12 -0.858 9.186 -11.809
90 HA LEU 12 HA LEU 12 -2.862 7.340 -10.837
91 HB2 LEU 12 HB2 LEU 12 -2.692 8.111 -13.103
92 HB3 LEU 12 HB3 LEU 12 -1.148 7.259 -13.384
93 HG LEU 12 HG LEU 12 -3.175 6.138 -14.312
94 HD11 LEU 12 HD11 LEU 12 -1.067 4.822 -12.923
95 HD12 LEU 12 HD12 LEU 12 -2.072 4.185 -14.239
96 HD13 LEU 12 HD13 LEU 12 -2.565 3.932 -12.548
97 HD21 LEU 12 HD21 LEU 12 -4.963 5.228 -13.187
98 HD22 LEU 12 HD22 LEU 12 -4.752 6.852 -12.477
99 HD23 LEU 12 HD23 LEU 12 -4.235 5.403 -11.576
100 H ASN 13 H ASN 13 -2.445 5.185 -10.167
101 HA ASN 13 HA ASN 13 0.152 4.841 -9.003
102 HB2 ASN 13 HB2 ASN 13 -2.448 3.815 -8.385
103 HB3 ASN 13 HB3 ASN 13 -1.519 2.398 -8.892
104 HD21 ASN 13 HD21 ASN 13 -1.897 4.878 -6.363
105 HD22 ASN 13 HD22 ASN 13 -0.603 4.268 -5.391
106 H ASN 14 H ASN 14 1.929 3.796 -10.121
107 HA ASN 14 HA ASN 14 1.113 1.934 -12.318
108 HB2 ASN 14 HB2 ASN 14 3.420 3.898 -12.056
109 HB3 ASN 14 HB3 ASN 14 3.497 2.572 -13.231
110 HD21 ASN 14 HD21 ASN 14 2.008 5.722 -12.513
111 HD22 ASN 14 HD22 ASN 14 0.902 5.680 -13.827
112 H PHE 15 H PHE 15 2.310 0.073 -12.676
113 HA PHE 15 HA PHE 15 3.049 -1.283 -10.422
114 HB2 PHE 15 HB2 PHE 15 3.108 -1.920 -13.273
115 HB3 PHE 15 HB3 PHE 15 4.664 -2.378 -12.597
116 HD1 PHE 15 HD2 PHE 15 0.981 -2.852 -12.501
117 HD2 PHE 15 HD1 PHE 15 4.729 -4.157 -10.823
118 HE1 PHE 15 HE2 PHE 15 -0.099 -4.912 -11.672
119 HE2 PHE 15 HE1 PHE 15 3.638 -6.195 -9.979
120 HZ PHE 15 HZ PHE 15 1.224 -6.593 -10.414
121 H ARG 16 H ARG 16 5.069 -1.890 -9.428
122 HA ARG 16 HA ARG 16 7.027 0.206 -9.559
123 HB2 ARG 16 HB2 ARG 16 6.722 -2.284 -8.006
124 HB3 ARG 16 HB3 ARG 16 8.418 -1.925 -8.320
125 HG2 ARG 16 HG2 ARG 16 6.412 0.073 -7.119
126 HG3 ARG 16 HG3 ARG 16 7.440 -0.960 -6.121
127 HD2 ARG 16 HD2 ARG 16 8.922 0.465 -8.260
128 HD3 ARG 16 HD3 ARG 16 8.107 1.599 -7.119
129 HE ARG 16 HE ARG 16 9.472 -0.167 -5.480
130 HH11 ARG 16 HH12 ARG 16 10.345 2.103 -8.142
131 HH12 ARG 16 HH11 ARG 16 11.903 2.447 -7.420
132 HH21 ARG 16 HH22 ARG 16 11.489 0.349 -4.656
133 HH22 ARG 16 HH21 ARG 16 12.543 1.480 -5.500
134 H LYS 17 H LYS 17 6.726 -2.747 -11.327
135 HA LYS 17 HA LYS 17 9.456 -2.583 -12.416
136 HB2 LYS 17 HB2 LYS 17 6.879 -4.143 -13.076
137 HB3 LYS 17 HB3 LYS 17 8.240 -4.198 -14.180
138 HG2 LYS 17 HG2 LYS 17 8.781 -4.624 -11.199
139 HG3 LYS 17 HG3 LYS 17 8.014 -5.941 -12.104
140 HD2 LYS 17 HD2 LYS 17 9.903 -6.537 -13.180
141 HD3 LYS 17 HD3 LYS 17 10.360 -4.879 -13.631
142 HE2 LYS 17 HE2 LYS 17 11.545 -4.455 -11.659
143 HE3 LYS 17 HE3 LYS 17 10.824 -5.830 -10.766
144 HZ1 LYS 17 HZ1 LYS 17 13.147 -6.233 -11.561
145 HZ2 LYS 17 HZ2 LYS 17 12.563 -6.199 -13.212
146 HZ3 LYS 17 HZ3 LYS 17 11.980 -7.412 -12.091
147 H ARG 18 H ARG 18 6.746 -0.460 -12.887
148 HA ARG 18 HA ARG 18 7.058 -0.475 -15.749
149 HB2 ARG 18 HB2 ARG 18 5.036 0.614 -13.998
150 HB3 ARG 18 HB3 ARG 18 5.840 2.001 -14.724
151 HG2 ARG 18 HG2 ARG 18 4.405 1.733 -16.462
152 HG3 ARG 18 HG3 ARG 18 5.404 0.389 -16.985
153 HD2 ARG 18 HD2 ARG 18 3.276 -0.573 -16.883
154 HD3 ARG 18 HD3 ARG 18 3.934 -1.046 -15.296
155 HE ARG 18 HE ARG 18 2.614 1.507 -15.049
156 HH11 ARG 18 HH12 ARG 18 1.735 -1.904 -15.685
157 HH12 ARG 18 HH11 ARG 18 0.064 -1.632 -15.213
158 HH21 ARG 18 HH22 ARG 18 0.456 1.793 -14.559
159 HH22 ARG 18 HH21 ARG 18 -0.636 0.410 -14.525
160 H LEU 19 H LEU 19 8.399 0.969 -16.977
161 HA LEU 19 HA LEU 19 10.406 2.488 -15.427
162 HB2 LEU 19 HB2 LEU 19 9.841 2.256 -18.449
163 HB3 LEU 19 HB3 LEU 19 11.241 3.081 -17.727
164 HG LEU 19 HG LEU 19 10.656 0.061 -17.352
165 HD11 LEU 19 HD11 LEU 19 11.131 0.156 -19.617
166 HD12 LEU 19 HD12 LEU 19 12.780 -0.021 -18.973
167 HD13 LEU 19 HD13 LEU 19 12.196 1.583 -19.490
168 HD21 LEU 19 HD21 LEU 19 13.169 0.113 -16.660
169 HD22 LEU 19 HD22 LEU 19 11.976 0.716 -15.501
170 HD23 LEU 19 HD23 LEU 19 12.952 1.874 -16.455
171 H LYS 20 H LYS 20 7.251 3.145 -17.086
172 HA LYS 20 HA LYS 20 7.572 5.867 -16.120
173 HB2 LYS 20 HB2 LYS 20 7.079 6.869 -18.387
174 HB3 LYS 20 HB3 LYS 20 8.606 5.935 -18.460
175 HG2 LYS 20 HG2 LYS 20 7.187 4.005 -19.444
176 HG3 LYS 20 HG3 LYS 20 5.787 5.109 -19.366
177 HD2 LYS 20 HD2 LYS 20 7.561 6.732 -20.732
178 HD3 LYS 20 HD3 LYS 20 8.205 5.155 -21.230
179 HE2 LYS 20 HE2 LYS 20 5.230 5.930 -21.465
180 HE3 LYS 20 HE3 LYS 20 6.406 6.294 -22.736
181 HZ1 LYS 20 HZ1 LYS 20 4.962 4.065 -22.736
182 HZ2 LYS 20 HZ2 LYS 20 6.286 3.462 -21.779
183 HZ3 LYS 20 HZ3 LYS 20 6.587 4.119 -23.369
184 H CYS 21 H CYS 21 5.519 7.156 -16.530
185 HA CYS 21 HA CYS 21 3.483 5.624 -15.334
186 HB2 CYS 21 HB2 CYS 21 3.746 8.104 -15.153
187 HB3 CYS 21 HB3 CYS 21 3.221 8.281 -16.869
188 H PHE 22 H PHE 22 1.935 4.202 -16.206
189 HA PHE 22 HA PHE 22 2.027 3.768 -19.101
190 HB2 PHE 22 HB2 PHE 22 1.684 2.087 -17.058
191 HB3 PHE 22 HB3 PHE 22 -0.034 2.477 -17.249
192 HD1 PHE 22 HD1 PHE 22 3.091 1.049 -18.683
193 HD2 PHE 22 HD2 PHE 22 -1.105 1.676 -19.422
194 HE1 PHE 22 HE1 PHE 22 3.129 -0.737 -20.384
195 HE2 PHE 22 HE2 PHE 22 -1.016 0.011 -21.252
196 HZ PHE 22 HZ PHE 22 1.089 -1.218 -21.718
197 H ARG 23 H ARG 23 0.369 6.035 -17.129
198 HA ARG 23 HA ARG 23 -2.112 5.942 -18.687
199 HB2 ARG 23 HB2 ARG 23 -1.764 6.190 -16.065
200 HB3 ARG 23 HB3 ARG 23 -1.527 7.901 -16.415
201 HG2 ARG 23 HG2 ARG 23 -3.782 7.504 -17.917
202 HG3 ARG 23 HG3 ARG 23 -3.984 6.190 -16.751
203 HD2 ARG 23 HD2 ARG 23 -4.856 7.640 -15.284
204 HD3 ARG 23 HD3 ARG 23 -3.311 8.549 -15.183
205 HE ARG 23 HE ARG 23 -4.430 9.607 -17.419
206 HH11 ARG 23 HH12 ARG 23 -5.320 9.343 -13.928
207 HH12 ARG 23 HH11 ARG 23 -6.354 10.755 -14.029
208 HH21 ARG 23 HH22 ARG 23 -5.733 11.411 -17.410
209 HH22 ARG 23 HH21 ARG 23 -6.555 11.924 -15.940
210 H CYS 24 H CYS 24 0.237 8.621 -17.521
211 HA CYS 24 HA CYS 24 -0.687 10.204 -19.805
212 HB2 CYS 24 HB2 CYS 24 0.486 12.048 -18.824
213 HB3 CYS 24 HB3 CYS 24 -0.485 11.239 -17.560
214 H GLY 25 H GLY 25 1.934 7.870 -19.007
215 HA2 GLY 25 HA2 GLY 25 3.337 7.098 -20.692
216 HA3 GLY 25 HA3 GLY 25 3.158 8.595 -21.610
217 H ALA 26 H ALA 26 3.519 10.249 -18.983
218 HA ALA 26 HA ALA 26 6.248 10.693 -19.526
219 HB1 ALA 26 HB1 ALA 26 4.463 12.404 -18.657
220 HB2 ALA 26 HB2 ALA 26 4.797 11.714 -17.036
221 HB3 ALA 26 HB3 ALA 26 6.106 12.492 -17.984
222 H ASP 27 H ASP 27 8.097 10.588 -17.961
223 HA ASP 27 HA ASP 27 8.082 8.018 -16.709
224 HB2 ASP 27 HB2 ASP 27 10.093 9.292 -17.758
225 HB3 ASP 27 HB3 ASP 27 10.248 10.040 -16.141
226 H LYS 28 H LYS 28 8.493 7.526 -14.385
227 HA LYS 28 HA LYS 28 6.719 8.942 -12.646
228 HB2 LYS 28 HB2 LYS 28 7.957 7.840 -10.776
229 HB3 LYS 28 HB3 LYS 28 7.415 6.687 -12.004
230 HG2 LYS 28 HG2 LYS 28 9.503 6.059 -12.705
231 HG3 LYS 28 HG3 LYS 28 10.198 7.682 -12.473
232 HD2 LYS 28 HD2 LYS 28 11.273 6.273 -10.920
233 HD3 LYS 28 HD3 LYS 28 10.215 7.405 -10.035
234 HE2 LYS 28 HE2 LYS 28 8.473 5.549 -9.839
235 HE3 LYS 28 HE3 LYS 28 9.575 4.449 -10.719
236 HZ1 LYS 28 HZ1 LYS 28 9.600 4.355 -8.187
237 HZ2 LYS 28 HZ2 LYS 28 10.385 5.890 -8.179
238 HZ3 LYS 28 HZ3 LYS 28 11.185 4.563 -8.984
239 H PHE 29 H PHE 29 10.089 9.667 -13.661
240 HA PHE 29 HA PHE 29 10.160 11.792 -11.544
241 HB2 PHE 29 HB2 PHE 29 12.086 9.783 -12.423
242 HB3 PHE 29 HB3 PHE 29 12.726 11.364 -12.886
243 HD1 PHE 29 HD1 PHE 29 12.229 13.269 -10.941
244 HD2 PHE 29 HD2 PHE 29 12.728 9.043 -10.273
245 HE1 PHE 29 HE1 PHE 29 12.926 13.713 -8.611
246 HE2 PHE 29 HE2 PHE 29 13.479 9.499 -7.971
247 HZ PHE 29 HZ PHE 29 13.578 11.832 -7.128
248 H ASP 30 H ASP 30 8.929 11.625 -14.546
249 HA ASP 30 HA ASP 30 9.782 14.420 -15.030
250 HB2 ASP 30 HB2 ASP 30 11.228 12.466 -16.270
251 HB3 ASP 30 HB3 ASP 30 9.815 12.409 -17.350
252 HN1 NH2 31 HN1 NH2 31 7.175 12.937 -14.131
253 HN2 NH2 31 HN2 NH2 31 6.167 13.107 -15.501
Start of MODEL 13
1 H1 ACE 0 H1 ACE 0 -2.479 0.300 -1.374
2 H2 ACE 0 H2 ACE 0 -2.249 -1.481 -1.497
3 H3 ACE 0 H3 ACE 0 -2.809 -0.544 -2.920
4 H LYS 1 H LYS 1 0.011 -0.490 -0.547
5 HA LYS 1 HA LYS 1 1.638 0.637 -2.750
6 HB2 LYS 1 HB2 LYS 1 1.571 1.361 -0.220
7 HB3 LYS 1 HB3 LYS 1 2.655 -0.032 0.044
8 HG2 LYS 1 HG2 LYS 1 4.282 0.971 -1.581
9 HG3 LYS 1 HG3 LYS 1 3.141 2.290 -1.946
10 HD2 LYS 1 HD2 LYS 1 3.686 1.969 0.990
11 HD3 LYS 1 HD3 LYS 1 5.130 2.385 0.054
12 HE2 LYS 1 HE2 LYS 1 2.495 3.968 -0.235
13 HE3 LYS 1 HE3 LYS 1 3.686 4.315 1.043
14 HZ1 LYS 1 HZ1 LYS 1 4.185 4.488 -1.932
15 HZ2 LYS 1 HZ2 LYS 1 5.428 4.627 -0.708
16 HZ3 LYS 1 HZ3 LYS 1 4.131 5.778 -0.759
17 H PHE 2 H PHE 2 0.885 -1.820 -3.658
18 HA PHE 2 HA PHE 2 2.712 -3.857 -2.546
19 HB2 PHE 2 HB2 PHE 2 0.310 -4.372 -3.133
20 HB3 PHE 2 HB3 PHE 2 0.679 -4.016 -4.838
21 HD1 PHE 2 HD1 PHE 2 2.257 -6.066 -2.008
22 HD2 PHE 2 HD2 PHE 2 0.903 -6.026 -6.100
23 HE1 PHE 2 HE1 PHE 2 3.051 -8.371 -2.297
24 HE2 PHE 2 HE2 PHE 2 1.562 -8.390 -6.325
25 HZ PHE 2 HZ PHE 2 2.660 -9.569 -4.436
26 H GLU 3 H GLU 3 4.495 -2.174 -3.246
27 HA GLU 3 HA GLU 3 6.264 -1.789 -4.594
28 HB2 GLU 3 HB2 GLU 3 6.051 -4.378 -4.564
29 HB3 GLU 3 HB3 GLU 3 5.499 -4.273 -6.253
30 HG2 GLU 3 HG2 GLU 3 7.647 -3.896 -7.021
31 HG3 GLU 3 HG3 GLU 3 8.056 -2.761 -5.692
32 H ASP 4 H ASP 4 4.713 0.125 -5.109
33 HA ASP 4 HA ASP 4 4.695 0.381 -8.040
34 HB2 ASP 4 HB2 ASP 4 2.214 1.044 -7.963
35 HB3 ASP 4 HB3 ASP 4 2.514 -0.681 -7.669
36 H TRP 5 H TRP 5 3.726 2.713 -8.577
37 HA TRP 5 HA TRP 5 4.405 4.590 -6.369
38 HB2 TRP 5 HB2 TRP 5 5.875 5.864 -8.065
39 HB3 TRP 5 HB3 TRP 5 6.516 4.286 -7.527
40 HD1 TRP 5 HD1 TRP 5 6.659 2.424 -9.215
41 HE1 TRP 5 HE1 TRP 5 6.511 2.225 -11.789
42 HE3 TRP 5 HE3 TRP 5 4.375 6.880 -10.162
43 HZ2 TRP 5 HZ2 TRP 5 5.758 3.877 -13.929
44 HZ3 TRP 5 HZ3 TRP 5 4.027 7.523 -12.594
45 HH2 TRP 5 HH2 TRP 5 4.811 6.098 -14.372
46 H LEU 6 H LEU 6 3.790 6.871 -6.986
47 HA LEU 6 HA LEU 6 1.273 6.759 -8.614
48 HB2 LEU 6 HB2 LEU 6 2.155 8.462 -6.252
49 HB3 LEU 6 HB3 LEU 6 0.830 8.936 -7.324
50 HG LEU 6 HG LEU 6 0.601 6.076 -6.393
51 HD11 LEU 6 HD11 LEU 6 -0.070 6.597 -4.076
52 HD12 LEU 6 HD12 LEU 6 0.462 8.296 -4.295
53 HD13 LEU 6 HD13 LEU 6 1.652 6.953 -4.375
54 HD21 LEU 6 HD21 LEU 6 -1.283 7.074 -7.543
55 HD22 LEU 6 HD22 LEU 6 -1.297 8.514 -6.476
56 HD23 LEU 6 HD23 LEU 6 -1.766 6.923 -5.830
57 H CYS 7 H CYS 7 1.342 7.948 -10.532
58 HA CYS 7 HA CYS 7 3.740 9.277 -11.246
59 HB2 CYS 7 HB2 CYS 7 1.860 8.346 -12.831
60 HB3 CYS 7 HB3 CYS 7 0.887 9.753 -12.320
61 H ASN 8 H ASN 8 4.207 11.550 -11.664
62 HA ASN 8 HA ASN 8 2.945 13.255 -9.558
63 HB2 ASN 8 HB2 ASN 8 5.669 12.808 -10.384
64 HB3 ASN 8 HB3 ASN 8 5.275 14.433 -10.942
65 HD21 ASN 8 HD21 ASN 8 5.538 16.047 -9.218
66 HD22 ASN 8 HD22 ASN 8 5.583 15.598 -7.549
67 H LYS 9 H LYS 9 1.685 12.587 -12.265
68 HA LYS 9 HA LYS 9 1.249 15.415 -13.120
69 HB2 LYS 9 HB2 LYS 9 2.753 13.340 -14.486
70 HB3 LYS 9 HB3 LYS 9 1.244 13.493 -15.390
71 HG2 LYS 9 HG2 LYS 9 2.940 15.972 -14.641
72 HG3 LYS 9 HG3 LYS 9 3.357 14.918 -15.992
73 HD2 LYS 9 HD2 LYS 9 0.558 15.446 -16.394
74 HD3 LYS 9 HD3 LYS 9 1.227 16.995 -15.846
75 HE2 LYS 9 HE2 LYS 9 2.454 15.289 -18.118
76 HE3 LYS 9 HE3 LYS 9 1.234 16.554 -18.384
77 HZ1 LYS 9 HZ1 LYS 9 3.502 17.381 -18.745
78 HZ2 LYS 9 HZ2 LYS 9 3.926 17.064 -17.085
79 HZ3 LYS 9 HZ3 LYS 9 2.688 18.240 -17.462
80 H CYS 10 H CYS 10 0.109 12.001 -13.791
81 HA CYS 10 HA CYS 10 -2.670 13.108 -13.589
82 HB2 CYS 10 HB2 CYS 10 -3.329 11.108 -14.738
83 HB3 CYS 10 HB3 CYS 10 -2.008 11.890 -15.648
84 H CYS 11 H CYS 11 -0.384 11.686 -11.395
85 HA CYS 11 HA CYS 11 -0.711 10.726 -9.372
86 HB2 CYS 11 HB2 CYS 11 -2.693 12.630 -9.717
87 HB3 CYS 11 HB3 CYS 11 -3.667 11.196 -9.273
88 HG CYS 11 HG CYS 11 -2.790 12.657 -7.298
89 H LEU 12 H LEU 12 -1.250 9.081 -11.977
90 HA LEU 12 HA LEU 12 -3.196 7.155 -11.002
91 HB2 LEU 12 HB2 LEU 12 -2.878 7.800 -13.388
92 HB3 LEU 12 HB3 LEU 12 -1.271 7.042 -13.367
93 HG LEU 12 HG LEU 12 -2.809 4.936 -12.475
94 HD11 LEU 12 HD11 LEU 12 -4.846 6.100 -14.401
95 HD12 LEU 12 HD12 LEU 12 -4.911 6.549 -12.683
96 HD13 LEU 12 HD13 LEU 12 -5.027 4.838 -13.164
97 HD21 LEU 12 HD21 LEU 12 -1.711 5.640 -15.102
98 HD22 LEU 12 HD22 LEU 12 -3.179 4.644 -15.272
99 HD23 LEU 12 HD23 LEU 12 -1.811 4.078 -14.290
100 H ASN 13 H ASN 13 -2.608 5.138 -10.091
101 HA ASN 13 HA ASN 13 0.083 4.804 -9.125
102 HB2 ASN 13 HB2 ASN 13 -1.525 3.920 -7.698
103 HB3 ASN 13 HB3 ASN 13 -2.481 3.157 -8.993
104 HD21 ASN 13 HD21 ASN 13 -1.665 1.183 -10.107
105 HD22 ASN 13 HD22 ASN 13 -0.570 0.186 -9.212
106 H ASN 14 H ASN 14 1.681 3.176 -9.770
107 HA ASN 14 HA ASN 14 0.981 1.525 -12.110
108 HB2 ASN 14 HB2 ASN 14 3.115 3.692 -12.065
109 HB3 ASN 14 HB3 ASN 14 3.279 2.289 -13.165
110 HD21 ASN 14 HD21 ASN 14 1.954 5.486 -13.068
111 HD22 ASN 14 HD22 ASN 14 0.764 5.210 -14.288
112 H PHE 15 H PHE 15 2.187 -0.384 -12.185
113 HA PHE 15 HA PHE 15 3.303 -1.286 -9.847
114 HB2 PHE 15 HB2 PHE 15 3.112 -2.391 -12.576
115 HB3 PHE 15 HB3 PHE 15 4.693 -2.745 -11.911
116 HD1 PHE 15 HD2 PHE 15 4.922 -4.011 -9.751
117 HD2 PHE 15 HD1 PHE 15 1.072 -3.367 -11.569
118 HE1 PHE 15 HE2 PHE 15 3.982 -5.858 -8.418
119 HE2 PHE 15 HE1 PHE 15 0.153 -5.255 -10.267
120 HZ PHE 15 HZ PHE 15 1.606 -6.514 -8.699
121 H ARG 16 H ARG 16 5.470 -1.664 -9.075
122 HA ARG 16 HA ARG 16 7.376 0.443 -9.698
123 HB2 ARG 16 HB2 ARG 16 7.276 -1.853 -7.850
124 HB3 ARG 16 HB3 ARG 16 8.855 -1.703 -8.583
125 HG2 ARG 16 HG2 ARG 16 7.264 0.520 -7.106
126 HG3 ARG 16 HG3 ARG 16 8.508 -0.498 -6.356
127 HD2 ARG 16 HD2 ARG 16 9.876 0.584 -8.630
128 HD3 ARG 16 HD3 ARG 16 8.850 1.892 -8.043
129 HE ARG 16 HE ARG 16 10.129 2.122 -6.167
130 HH11 ARG 16 HH12 ARG 16 10.767 -1.171 -7.489
131 HH12 ARG 16 HH11 ARG 16 12.040 -1.464 -6.329
132 HH21 ARG 16 HH22 ARG 16 11.801 1.643 -4.749
133 HH22 ARG 16 HH21 ARG 16 12.624 0.088 -4.826
134 H LYS 17 H LYS 17 6.891 -2.758 -11.014
135 HA LYS 17 HA LYS 17 9.429 -2.897 -12.303
136 HB2 LYS 17 HB2 LYS 17 7.321 -4.674 -12.076
137 HB3 LYS 17 HB3 LYS 17 6.918 -3.965 -13.663
138 HG2 LYS 17 HG2 LYS 17 9.385 -4.563 -14.298
139 HG3 LYS 17 HG3 LYS 17 9.483 -5.395 -12.709
140 HD2 LYS 17 HD2 LYS 17 7.497 -6.835 -13.381
141 HD3 LYS 17 HD3 LYS 17 7.476 -5.998 -14.951
142 HE2 LYS 17 HE2 LYS 17 10.199 -6.850 -14.637
143 HE3 LYS 17 HE3 LYS 17 9.249 -8.204 -13.987
144 HZ1 LYS 17 HZ1 LYS 17 8.149 -8.506 -16.067
145 HZ2 LYS 17 HZ2 LYS 17 9.833 -8.223 -16.456
146 HZ3 LYS 17 HZ3 LYS 17 8.688 -6.956 -16.702
147 H ARG 18 H ARG 18 6.459 -1.018 -13.019
148 HA ARG 18 HA ARG 18 6.781 -0.785 -15.775
149 HB2 ARG 18 HB2 ARG 18 5.025 0.529 -13.882
150 HB3 ARG 18 HB3 ARG 18 6.061 1.790 -14.519
151 HG2 ARG 18 HG2 ARG 18 4.177 1.814 -15.934
152 HG3 ARG 18 HG3 ARG 18 5.361 0.888 -16.877
153 HD2 ARG 18 HD2 ARG 18 4.135 -1.073 -15.277
154 HD3 ARG 18 HD3 ARG 18 2.759 0.042 -15.594
155 HE ARG 18 HE ARG 18 3.971 -0.469 -18.084
156 HH11 ARG 18 HH12 ARG 18 2.358 -2.411 -15.501
157 HH12 ARG 18 HH11 ARG 18 2.051 -3.735 -16.610
158 HH21 ARG 18 HH22 ARG 18 3.555 -2.233 -19.386
159 HH22 ARG 18 HH21 ARG 18 2.632 -3.605 -18.781
160 H LEU 19 H LEU 19 7.699 1.015 -17.042
161 HA LEU 19 HA LEU 19 10.001 2.426 -15.707
162 HB2 LEU 19 HB2 LEU 19 10.945 2.650 -17.969
163 HB3 LEU 19 HB3 LEU 19 10.800 0.952 -17.473
164 HG LEU 19 HG LEU 19 8.419 2.015 -19.016
165 HD11 LEU 19 HD11 LEU 19 10.159 3.210 -20.241
166 HD12 LEU 19 HD12 LEU 19 9.520 1.858 -21.217
167 HD13 LEU 19 HD13 LEU 19 11.116 1.709 -20.414
168 HD21 LEU 19 HD21 LEU 19 8.842 -0.488 -18.329
169 HD22 LEU 19 HD22 LEU 19 10.164 -0.469 -19.516
170 HD23 LEU 19 HD23 LEU 19 8.479 -0.187 -20.047
171 H LYS 20 H LYS 20 6.752 3.061 -16.955
172 HA LYS 20 HA LYS 20 7.279 5.766 -16.611
173 HB2 LYS 20 HB2 LYS 20 6.709 6.523 -18.979
174 HB3 LYS 20 HB3 LYS 20 8.348 5.881 -18.819
175 HG2 LYS 20 HG2 LYS 20 7.928 4.256 -20.361
176 HG3 LYS 20 HG3 LYS 20 6.554 3.631 -19.416
177 HD2 LYS 20 HD2 LYS 20 5.107 5.473 -20.496
178 HD3 LYS 20 HD3 LYS 20 6.508 5.783 -21.568
179 HE2 LYS 20 HE2 LYS 20 6.380 3.105 -21.954
180 HE3 LYS 20 HE3 LYS 20 4.726 3.300 -21.312
181 HZ1 LYS 20 HZ1 LYS 20 5.964 4.618 -23.734
182 HZ2 LYS 20 HZ2 LYS 20 4.387 5.056 -23.092
183 HZ3 LYS 20 HZ3 LYS 20 4.678 3.438 -23.708
184 H CYS 21 H CYS 21 5.252 7.048 -16.843
185 HA CYS 21 HA CYS 21 3.166 5.439 -15.838
186 HB2 CYS 21 HB2 CYS 21 3.499 7.923 -15.385
187 HB3 CYS 21 HB3 CYS 21 2.939 8.265 -17.055
188 H PHE 22 H PHE 22 1.369 4.386 -16.817
189 HA PHE 22 HA PHE 22 1.552 4.265 -19.766
190 HB2 PHE 22 HB2 PHE 22 1.121 2.326 -17.847
191 HB3 PHE 22 HB3 PHE 22 -0.548 2.644 -18.356
192 HD1 PHE 22 HD1 PHE 22 0.024 3.235 -21.383
193 HD2 PHE 22 HD2 PHE 22 1.511 0.186 -18.720
194 HE1 PHE 22 HE1 PHE 22 0.489 1.798 -23.296
195 HE2 PHE 22 HE2 PHE 22 1.862 -1.289 -20.671
196 HZ PHE 22 HZ PHE 22 1.460 -0.464 -22.959
197 H ARG 23 H ARG 23 0.169 6.509 -17.813
198 HA ARG 23 HA ARG 23 -2.391 6.619 -19.358
199 HB2 ARG 23 HB2 ARG 23 -2.782 6.317 -17.072
200 HB3 ARG 23 HB3 ARG 23 -1.650 7.596 -16.536
201 HG2 ARG 23 HG2 ARG 23 -3.071 9.356 -17.133
202 HG3 ARG 23 HG3 ARG 23 -3.763 8.456 -18.494
203 HD2 ARG 23 HD2 ARG 23 -5.582 8.532 -17.217
204 HD3 ARG 23 HD3 ARG 23 -4.964 6.948 -16.664
205 HE ARG 23 HE ARG 23 -3.897 8.940 -14.960
206 HH11 ARG 23 HH12 ARG 23 -7.144 7.689 -15.801
207 HH12 ARG 23 HH11 ARG 23 -7.842 8.275 -14.302
208 HH21 ARG 23 HH22 ARG 23 -4.860 9.616 -13.032
209 HH22 ARG 23 HH21 ARG 23 -6.575 9.315 -12.752
210 H CYS 24 H CYS 24 0.152 8.813 -17.811
211 HA CYS 24 HA CYS 24 -0.461 10.709 -20.031
212 HB2 CYS 24 HB2 CYS 24 0.462 12.402 -18.615
213 HB3 CYS 24 HB3 CYS 24 -0.582 11.372 -17.577
214 H GLY 25 H GLY 25 1.948 8.161 -19.278
215 HA2 GLY 25 HA2 GLY 25 3.704 7.682 -20.743
216 HA3 GLY 25 HA3 GLY 25 3.607 9.297 -21.445
217 H ALA 26 H ALA 26 3.685 10.710 -18.772
218 HA ALA 26 HA ALA 26 6.425 11.093 -18.719
219 HB1 ALA 26 HB1 ALA 26 4.797 11.590 -16.174
220 HB2 ALA 26 HB2 ALA 26 6.120 12.563 -16.885
221 HB3 ALA 26 HB3 ALA 26 4.499 12.588 -17.629
222 H ASP 27 H ASP 27 8.113 10.527 -17.068
223 HA ASP 27 HA ASP 27 7.536 7.848 -15.965
224 HB2 ASP 27 HB2 ASP 27 9.549 7.990 -17.351
225 HB3 ASP 27 HB3 ASP 27 10.171 9.334 -16.340
226 H LYS 28 H LYS 28 8.097 7.252 -13.783
227 HA LYS 28 HA LYS 28 7.237 9.136 -11.841
228 HB2 LYS 28 HB2 LYS 28 8.261 7.603 -10.179
229 HB3 LYS 28 HB3 LYS 28 7.209 6.778 -11.347
230 HG2 LYS 28 HG2 LYS 28 8.861 5.387 -12.105
231 HG3 LYS 28 HG3 LYS 28 9.998 6.736 -12.341
232 HD2 LYS 28 HD2 LYS 28 11.036 5.281 -10.762
233 HD3 LYS 28 HD3 LYS 28 10.524 6.776 -9.945
234 HE2 LYS 28 HE2 LYS 28 8.288 5.304 -9.441
235 HE3 LYS 28 HE3 LYS 28 9.348 3.927 -9.798
236 HZ1 LYS 28 HZ1 LYS 28 10.635 4.332 -7.893
237 HZ2 LYS 28 HZ2 LYS 28 9.038 4.835 -7.357
238 HZ3 LYS 28 HZ3 LYS 28 10.205 6.021 -7.784
239 H PHE 29 H PHE 29 10.447 8.819 -13.394
240 HA PHE 29 HA PHE 29 11.568 10.593 -11.296
241 HB2 PHE 29 HB2 PHE 29 12.581 8.275 -12.745
242 HB3 PHE 29 HB3 PHE 29 13.527 9.668 -13.280
243 HD1 PHE 29 HD1 PHE 29 13.852 11.368 -10.957
244 HD2 PHE 29 HD2 PHE 29 13.775 7.061 -11.136
245 HE1 PHE 29 HE1 PHE 29 15.090 11.247 -8.826
246 HE2 PHE 29 HE2 PHE 29 15.113 6.957 -9.073
247 HZ PHE 29 HZ PHE 29 15.764 9.045 -7.898
248 H ASP 30 H ASP 30 9.626 11.191 -13.823
249 HA ASP 30 HA ASP 30 11.093 13.676 -14.369
250 HB2 ASP 30 HB2 ASP 30 11.674 11.577 -16.010
251 HB3 ASP 30 HB3 ASP 30 10.163 12.075 -16.796
252 HN1 NH2 31 HN1 NH2 31 8.427 12.972 -12.982
253 HN2 NH2 31 HN2 NH2 31 7.250 13.707 -14.002
Start of MODEL 14
1 H1 ACE 0 H1 ACE 0 -3.419 -4.570 -2.091
2 H2 ACE 0 H2 ACE 0 -2.621 -3.692 -0.743
3 H3 ACE 0 H3 ACE 0 -2.793 -5.477 -0.679
4 H LYS 1 H LYS 1 -1.484 -2.943 -2.982
5 HA LYS 1 HA LYS 1 0.651 -4.913 -3.659
6 HB2 LYS 1 HB2 LYS 1 -1.095 -3.653 -5.295
7 HB3 LYS 1 HB3 LYS 1 0.175 -2.424 -5.316
8 HG2 LYS 1 HG2 LYS 1 1.848 -4.008 -5.993
9 HG3 LYS 1 HG3 LYS 1 0.751 -5.417 -5.901
10 HD2 LYS 1 HD2 LYS 1 0.358 -3.077 -7.834
11 HD3 LYS 1 HD3 LYS 1 1.059 -4.664 -8.240
12 HE2 LYS 1 HE2 LYS 1 -1.496 -5.189 -6.923
13 HE3 LYS 1 HE3 LYS 1 -1.744 -3.960 -8.193
14 HZ1 LYS 1 HZ1 LYS 1 -0.336 -6.625 -8.531
15 HZ2 LYS 1 HZ2 LYS 1 -0.764 -5.485 -9.809
16 HZ3 LYS 1 HZ3 LYS 1 -2.006 -6.313 -8.897
17 H PHE 2 H PHE 2 2.367 -4.530 -2.157
18 HA PHE 2 HA PHE 2 2.886 -1.691 -1.373
19 HB2 PHE 2 HB2 PHE 2 4.060 -4.342 -0.360
20 HB3 PHE 2 HB3 PHE 2 4.443 -2.720 0.262
21 HD1 PHE 2 HD2 PHE 2 1.698 -5.282 -0.029
22 HD2 PHE 2 HD1 PHE 2 2.907 -1.537 1.723
23 HE1 PHE 2 HE2 PHE 2 -0.282 -5.319 1.423
24 HE2 PHE 2 HE1 PHE 2 1.003 -1.667 3.285
25 HZ PHE 2 HZ PHE 2 -0.611 -3.547 3.131
26 H GLU 3 H GLU 3 3.381 -2.016 -4.132
27 HA GLU 3 HA GLU 3 6.238 -1.633 -4.182
28 HB2 GLU 3 HB2 GLU 3 6.181 -4.136 -4.021
29 HB3 GLU 3 HB3 GLU 3 5.097 -4.221 -5.419
30 HG2 GLU 3 HG2 GLU 3 6.867 -3.850 -6.918
31 HG3 GLU 3 HG3 GLU 3 7.619 -2.668 -5.784
32 H ASP 4 H ASP 4 4.734 0.322 -4.811
33 HA ASP 4 HA ASP 4 4.760 0.464 -7.755
34 HB2 ASP 4 HB2 ASP 4 2.311 1.140 -7.767
35 HB3 ASP 4 HB3 ASP 4 2.552 -0.555 -7.286
36 H TRP 5 H TRP 5 3.870 2.812 -8.388
37 HA TRP 5 HA TRP 5 4.629 4.738 -6.242
38 HB2 TRP 5 HB2 TRP 5 6.103 5.926 -7.988
39 HB3 TRP 5 HB3 TRP 5 6.721 4.349 -7.427
40 HD1 TRP 5 HD1 TRP 5 6.923 2.505 -9.111
41 HE1 TRP 5 HE1 TRP 5 6.642 2.243 -11.673
42 HE3 TRP 5 HE3 TRP 5 4.482 6.881 -10.050
43 HZ2 TRP 5 HZ2 TRP 5 5.769 3.824 -13.807
44 HZ3 TRP 5 HZ3 TRP 5 3.893 7.396 -12.462
45 HH2 TRP 5 HH2 TRP 5 4.678 5.989 -14.247
46 H LEU 6 H LEU 6 4.102 7.064 -7.007
47 HA LEU 6 HA LEU 6 1.539 6.884 -8.529
48 HB2 LEU 6 HB2 LEU 6 2.266 9.012 -6.488
49 HB3 LEU 6 HB3 LEU 6 0.739 8.741 -7.355
50 HG LEU 6 HG LEU 6 1.041 6.256 -6.114
51 HD11 LEU 6 HD11 LEU 6 1.732 6.686 -3.724
52 HD12 LEU 6 HD12 LEU 6 2.307 8.308 -4.192
53 HD13 LEU 6 HD13 LEU 6 3.084 6.842 -4.859
54 HD21 LEU 6 HD21 LEU 6 -0.348 8.813 -5.162
55 HD22 LEU 6 HD22 LEU 6 -0.534 7.263 -4.295
56 HD23 LEU 6 HD23 LEU 6 -1.034 7.386 -6.002
57 H CYS 7 H CYS 7 1.506 8.081 -10.486
58 HA CYS 7 HA CYS 7 3.927 9.294 -11.316
59 HB2 CYS 7 HB2 CYS 7 1.893 8.483 -12.822
60 HB3 CYS 7 HB3 CYS 7 1.104 9.993 -12.319
61 H ASN 8 H ASN 8 4.481 11.526 -11.797
62 HA ASN 8 HA ASN 8 3.426 13.282 -9.626
63 HB2 ASN 8 HB2 ASN 8 6.086 12.755 -10.645
64 HB3 ASN 8 HB3 ASN 8 5.706 14.426 -11.080
65 HD21 ASN 8 HD21 ASN 8 4.430 15.623 -9.061
66 HD22 ASN 8 HD22 ASN 8 5.229 15.353 -7.546
67 H LYS 9 H LYS 9 2.084 12.641 -12.376
68 HA LYS 9 HA LYS 9 1.675 15.502 -13.111
69 HB2 LYS 9 HB2 LYS 9 2.776 13.280 -14.783
70 HB3 LYS 9 HB3 LYS 9 1.216 13.833 -15.429
71 HG2 LYS 9 HG2 LYS 9 2.696 15.198 -16.572
72 HG3 LYS 9 HG3 LYS 9 2.163 16.262 -15.246
73 HD2 LYS 9 HD2 LYS 9 4.318 15.412 -13.983
74 HD3 LYS 9 HD3 LYS 9 4.765 14.637 -15.512
75 HE2 LYS 9 HE2 LYS 9 5.737 16.569 -16.195
76 HE3 LYS 9 HE3 LYS 9 4.123 17.263 -16.348
77 HZ1 LYS 9 HZ1 LYS 9 6.230 17.952 -14.532
78 HZ2 LYS 9 HZ2 LYS 9 4.825 17.587 -13.585
79 HZ3 LYS 9 HZ3 LYS 9 4.733 18.782 -14.823
80 H CYS 10 H CYS 10 0.358 12.163 -13.792
81 HA CYS 10 HA CYS 10 -2.365 13.354 -13.475
82 HB2 CYS 10 HB2 CYS 10 -3.086 11.226 -14.426
83 HB3 CYS 10 HB3 CYS 10 -1.922 12.031 -15.537
84 H CYS 11 H CYS 11 -0.069 11.893 -11.322
85 HA CYS 11 HA CYS 11 -0.353 10.882 -9.314
86 HB2 CYS 11 HB2 CYS 11 -3.321 11.600 -9.396
87 HB3 CYS 11 HB3 CYS 11 -2.212 11.479 -8.004
88 HG CYS 11 HG CYS 11 -2.313 13.707 -10.116
89 H LEU 12 H LEU 12 -1.059 9.310 -11.959
90 HA LEU 12 HA LEU 12 -3.043 7.424 -11.022
91 HB2 LEU 12 HB2 LEU 12 -2.706 8.049 -13.454
92 HB3 LEU 12 HB3 LEU 12 -1.100 7.295 -13.347
93 HG LEU 12 HG LEU 12 -2.666 5.217 -12.408
94 HD11 LEU 12 HD11 LEU 12 -4.595 5.840 -14.562
95 HD12 LEU 12 HD12 LEU 12 -4.714 6.944 -13.170
96 HD13 LEU 12 HD13 LEU 12 -4.851 5.192 -12.935
97 HD21 LEU 12 HD21 LEU 12 -1.412 5.807 -15.022
98 HD22 LEU 12 HD22 LEU 12 -2.749 4.648 -15.167
99 HD23 LEU 12 HD23 LEU 12 -1.426 4.334 -14.039
100 H ASN 13 H ASN 13 -2.489 5.521 -9.851
101 HA ASN 13 HA ASN 13 0.229 5.115 -9.006
102 HB2 ASN 13 HB2 ASN 13 -1.209 4.343 -7.391
103 HB3 ASN 13 HB3 ASN 13 -2.385 3.663 -8.539
104 HD21 ASN 13 HD21 ASN 13 -1.929 1.581 -9.655
105 HD22 ASN 13 HD22 ASN 13 -0.830 0.499 -8.869
106 H ASN 14 H ASN 14 1.747 3.384 -9.540
107 HA ASN 14 HA ASN 14 0.901 1.636 -11.725
108 HB2 ASN 14 HB2 ASN 14 3.099 3.742 -11.899
109 HB3 ASN 14 HB3 ASN 14 3.150 2.333 -12.968
110 HD21 ASN 14 HD21 ASN 14 1.952 5.551 -12.824
111 HD22 ASN 14 HD22 ASN 14 0.782 5.366 -14.062
112 H PHE 15 H PHE 15 2.026 -0.359 -11.759
113 HA PHE 15 HA PHE 15 3.234 -1.026 -9.424
114 HB2 PHE 15 HB2 PHE 15 2.237 -2.610 -11.253
115 HB3 PHE 15 HB3 PHE 15 3.812 -2.448 -12.071
116 HD1 PHE 15 HD2 PHE 15 2.899 -2.960 -8.362
117 HD2 PHE 15 HD1 PHE 15 4.528 -4.734 -11.921
118 HE1 PHE 15 HE2 PHE 15 3.644 -4.912 -7.084
119 HE2 PHE 15 HE1 PHE 15 5.511 -6.549 -10.554
120 HZ PHE 15 HZ PHE 15 5.017 -6.663 -8.120
121 H ARG 16 H ARG 16 5.469 -1.550 -8.782
122 HA ARG 16 HA ARG 16 7.307 0.459 -9.759
123 HB2 ARG 16 HB2 ARG 16 7.487 -1.802 -7.837
124 HB3 ARG 16 HB3 ARG 16 9.009 -1.495 -8.672
125 HG2 ARG 16 HG2 ARG 16 8.822 0.950 -7.965
126 HG3 ARG 16 HG3 ARG 16 7.388 0.501 -7.011
127 HD2 ARG 16 HD2 ARG 16 9.493 -1.400 -6.293
128 HD3 ARG 16 HD3 ARG 16 10.297 0.171 -6.516
129 HE ARG 16 HE ARG 16 7.958 0.424 -4.808
130 HH11 ARG 16 HH12 ARG 16 11.324 -0.866 -4.787
131 HH12 ARG 16 HH11 ARG 16 11.508 -0.523 -3.077
132 HH21 ARG 16 HH22 ARG 16 8.287 0.769 -2.624
133 HH22 ARG 16 HH21 ARG 16 9.823 0.355 -1.871
134 H LYS 17 H LYS 17 6.667 -2.797 -10.806
135 HA LYS 17 HA LYS 17 9.092 -3.227 -12.206
136 HB2 LYS 17 HB2 LYS 17 6.898 -4.719 -11.860
137 HB3 LYS 17 HB3 LYS 17 6.334 -3.907 -13.340
138 HG2 LYS 17 HG2 LYS 17 7.267 -5.795 -14.255
139 HG3 LYS 17 HG3 LYS 17 8.775 -4.843 -14.203
140 HD2 LYS 17 HD2 LYS 17 9.568 -5.999 -12.262
141 HD3 LYS 17 HD3 LYS 17 7.992 -6.664 -11.798
142 HE2 LYS 17 HE2 LYS 17 9.267 -7.445 -14.448
143 HE3 LYS 17 HE3 LYS 17 9.627 -8.282 -12.918
144 HZ1 LYS 17 HZ1 LYS 17 7.784 -9.512 -13.186
145 HZ2 LYS 17 HZ2 LYS 17 7.351 -8.655 -14.629
146 HZ3 LYS 17 HZ3 LYS 17 6.752 -8.138 -13.097
147 H ARG 18 H ARG 18 6.362 -0.998 -12.857
148 HA ARG 18 HA ARG 18 6.700 -0.854 -15.682
149 HB2 ARG 18 HB2 ARG 18 4.887 0.324 -13.838
150 HB3 ARG 18 HB3 ARG 18 5.928 1.661 -14.290
151 HG2 ARG 18 HG2 ARG 18 4.146 1.843 -15.794
152 HG3 ARG 18 HG3 ARG 18 5.295 0.911 -16.781
153 HD2 ARG 18 HD2 ARG 18 3.174 -0.049 -17.044
154 HD3 ARG 18 HD3 ARG 18 4.049 -1.217 -15.986
155 HE ARG 18 HE ARG 18 2.672 0.500 -14.243
156 HH11 ARG 18 HH12 ARG 18 1.672 -1.722 -16.877
157 HH12 ARG 18 HH11 ARG 18 0.059 -1.884 -16.200
158 HH21 ARG 18 HH22 ARG 18 0.588 0.234 -13.495
159 HH22 ARG 18 HH21 ARG 18 -0.511 -0.876 -14.282
160 H LEU 19 H LEU 19 7.662 1.064 -16.888
161 HA LEU 19 HA LEU 19 9.849 2.456 -15.349
162 HB2 LEU 19 HB2 LEU 19 9.564 1.416 -18.228
163 HB3 LEU 19 HB3 LEU 19 10.756 2.678 -17.884
164 HG LEU 19 HG LEU 19 10.750 0.103 -16.252
165 HD11 LEU 19 HD11 LEU 19 12.429 -0.833 -17.800
166 HD12 LEU 19 HD12 LEU 19 12.317 0.610 -18.858
167 HD13 LEU 19 HD13 LEU 19 10.925 -0.502 -18.700
168 HD21 LEU 19 HD21 LEU 19 12.125 2.163 -15.452
169 HD22 LEU 19 HD22 LEU 19 13.018 2.082 -16.986
170 HD23 LEU 19 HD23 LEU 19 13.110 0.729 -15.822
171 H LYS 20 H LYS 20 6.715 3.144 -16.468
172 HA LYS 20 HA LYS 20 7.227 5.802 -16.161
173 HB2 LYS 20 HB2 LYS 20 6.685 6.574 -18.623
174 HB3 LYS 20 HB3 LYS 20 8.371 6.089 -18.369
175 HG2 LYS 20 HG2 LYS 20 8.095 3.975 -19.443
176 HG3 LYS 20 HG3 LYS 20 6.322 3.998 -19.232
177 HD2 LYS 20 HD2 LYS 20 6.070 5.820 -20.846
178 HD3 LYS 20 HD3 LYS 20 7.828 5.902 -21.124
179 HE2 LYS 20 HE2 LYS 20 6.517 3.172 -21.456
180 HE3 LYS 20 HE3 LYS 20 6.020 4.400 -22.634
181 HZ1 LYS 20 HZ1 LYS 20 8.967 4.085 -22.197
182 HZ2 LYS 20 HZ2 LYS 20 8.051 4.465 -23.636
183 HZ3 LYS 20 HZ3 LYS 20 8.115 2.831 -23.044
184 H CYS 21 H CYS 21 5.252 7.148 -16.676
185 HA CYS 21 HA CYS 21 3.070 5.547 -15.789
186 HB2 CYS 21 HB2 CYS 21 3.457 7.998 -15.280
187 HB3 CYS 21 HB3 CYS 21 2.971 8.385 -16.972
188 H PHE 22 H PHE 22 1.522 4.379 -16.972
189 HA PHE 22 HA PHE 22 1.863 4.368 -19.881
190 HB2 PHE 22 HB2 PHE 22 1.358 2.367 -18.208
191 HB3 PHE 22 HB3 PHE 22 -0.330 2.930 -18.303
192 HD1 PHE 22 HD2 PHE 22 2.696 1.923 -20.304
193 HD2 PHE 22 HD1 PHE 22 -1.599 2.202 -20.292
194 HE1 PHE 22 HE2 PHE 22 2.607 0.618 -22.400
195 HE2 PHE 22 HE1 PHE 22 -1.683 0.866 -22.371
196 HZ PHE 22 HZ PHE 22 0.415 0.077 -23.433
197 H ARG 23 H ARG 23 0.045 6.369 -17.698
198 HA ARG 23 HA ARG 23 -2.280 6.592 -19.473
199 HB2 ARG 23 HB2 ARG 23 -2.377 6.552 -16.937
200 HB3 ARG 23 HB3 ARG 23 -1.620 8.155 -16.915
201 HG2 ARG 23 HG2 ARG 23 -3.651 8.625 -18.676
202 HG3 ARG 23 HG3 ARG 23 -4.368 7.223 -17.865
203 HD2 ARG 23 HD2 ARG 23 -3.325 9.302 -15.943
204 HD3 ARG 23 HD3 ARG 23 -4.494 9.939 -17.133
205 HE ARG 23 HE ARG 23 -5.461 7.528 -15.840
206 HH11 ARG 23 HH12 ARG 23 -5.083 11.067 -15.320
207 HH12 ARG 23 HH11 ARG 23 -6.135 11.046 -13.923
208 HH21 ARG 23 HH22 ARG 23 -6.885 7.639 -14.104
209 HH22 ARG 23 HH21 ARG 23 -7.187 9.173 -13.296
210 H CYS 24 H CYS 24 0.170 8.978 -18.010
211 HA CYS 24 HA CYS 24 -0.479 10.790 -20.255
212 HB2 CYS 24 HB2 CYS 24 0.899 12.434 -19.043
213 HB3 CYS 24 HB3 CYS 24 -0.414 11.768 -18.026
214 H GLY 25 H GLY 25 1.947 8.249 -19.445
215 HA2 GLY 25 HA2 GLY 25 3.493 7.524 -21.053
216 HA3 GLY 25 HA3 GLY 25 3.387 9.072 -21.900
217 H ALA 26 H ALA 26 3.602 10.382 -18.930
218 HA ALA 26 HA ALA 26 6.376 10.880 -19.396
219 HB1 ALA 26 HB1 ALA 26 4.501 12.510 -18.374
220 HB2 ALA 26 HB2 ALA 26 5.018 11.779 -16.824
221 HB3 ALA 26 HB3 ALA 26 6.201 12.629 -17.864
222 H ASP 27 H ASP 27 8.140 10.474 -17.825
223 HA ASP 27 HA ASP 27 7.803 7.905 -16.613
224 HB2 ASP 27 HB2 ASP 27 9.936 8.461 -17.638
225 HB3 ASP 27 HB3 ASP 27 10.174 9.805 -16.475
226 H LYS 28 H LYS 28 8.135 7.351 -14.312
227 HA LYS 28 HA LYS 28 6.734 9.014 -12.482
228 HB2 LYS 28 HB2 LYS 28 7.714 7.581 -10.708
229 HB3 LYS 28 HB3 LYS 28 7.093 6.645 -12.079
230 HG2 LYS 28 HG2 LYS 28 9.060 5.595 -12.407
231 HG3 LYS 28 HG3 LYS 28 9.874 7.143 -12.686
232 HD2 LYS 28 HD2 LYS 28 11.129 6.283 -10.947
233 HD3 LYS 28 HD3 LYS 28 10.037 7.420 -10.131
234 HE2 LYS 28 HE2 LYS 28 10.102 5.390 -8.824
235 HE3 LYS 28 HE3 LYS 28 8.502 5.399 -9.607
236 HZ1 LYS 28 HZ1 LYS 28 10.674 3.978 -11.113
237 HZ2 LYS 28 HZ2 LYS 28 9.021 3.545 -10.871
238 HZ3 LYS 28 HZ3 LYS 28 10.186 3.268 -9.614
239 H PHE 29 H PHE 29 10.108 9.327 -13.634
240 HA PHE 29 HA PHE 29 10.658 11.203 -11.381
241 HB2 PHE 29 HB2 PHE 29 12.205 9.103 -12.695
242 HB3 PHE 29 HB3 PHE 29 12.971 10.643 -13.090
243 HD1 PHE 29 HD1 PHE 29 12.987 12.349 -10.925
244 HD2 PHE 29 HD2 PHE 29 13.001 8.046 -10.746
245 HE1 PHE 29 HE1 PHE 29 14.016 12.436 -8.678
246 HE2 PHE 29 HE2 PHE 29 14.053 8.143 -8.522
247 HZ PHE 29 HZ PHE 29 14.570 10.335 -7.479
248 H ASP 30 H ASP 30 8.912 11.621 -14.005
249 HA ASP 30 HA ASP 30 10.611 13.643 -15.358
250 HB2 ASP 30 HB2 ASP 30 9.277 12.142 -16.690
251 HB3 ASP 30 HB3 ASP 30 7.759 12.632 -15.866
252 HN1 NH2 31 HN1 NH2 31 7.813 13.504 -13.000
253 HN2 NH2 31 HN2 NH2 31 7.719 15.222 -12.873
Start of MODEL 15
1 H1 ACE 0 H1 ACE 0 -1.582 -0.176 0.762
2 H2 ACE 0 H2 ACE 0 -1.292 -1.946 0.765
3 H3 ACE 0 H3 ACE 0 -2.585 -1.248 -0.263
4 H LYS 1 H LYS 1 0.971 -0.716 0.360
5 HA LYS 1 HA LYS 1 1.286 0.088 -2.447
6 HB2 LYS 1 HB2 LYS 1 2.429 1.139 -0.359
7 HB3 LYS 1 HB3 LYS 1 3.511 -0.268 -0.378
8 HG2 LYS 1 HG2 LYS 1 3.557 0.503 -3.062
9 HG3 LYS 1 HG3 LYS 1 3.302 2.090 -2.285
10 HD2 LYS 1 HD2 LYS 1 5.522 0.035 -1.649
11 HD3 LYS 1 HD3 LYS 1 5.705 1.418 -2.746
12 HE2 LYS 1 HE2 LYS 1 4.612 2.403 -0.182
13 HE3 LYS 1 HE3 LYS 1 6.037 1.384 0.143
14 HZ1 LYS 1 HZ1 LYS 1 6.636 3.720 -0.200
15 HZ2 LYS 1 HZ2 LYS 1 5.902 3.710 -1.789
16 HZ3 LYS 1 HZ3 LYS 1 7.324 2.726 -1.464
17 H PHE 2 H PHE 2 0.927 -1.901 -3.676
18 HA PHE 2 HA PHE 2 2.536 -4.273 -2.886
19 HB2 PHE 2 HB2 PHE 2 -0.019 -4.114 -3.786
20 HB3 PHE 2 HB3 PHE 2 0.767 -4.096 -5.372
21 HD1 PHE 2 HD2 PHE 2 1.062 -5.885 -2.013
22 HD2 PHE 2 HD1 PHE 2 0.932 -6.306 -6.293
23 HE1 PHE 2 HE2 PHE 2 1.227 -8.330 -1.778
24 HE2 PHE 2 HE1 PHE 2 1.019 -8.762 -6.050
25 HZ PHE 2 HZ PHE 2 1.175 -9.783 -3.792
26 H GLU 3 H GLU 3 4.350 -2.373 -3.393
27 HA GLU 3 HA GLU 3 6.159 -1.971 -4.649
28 HB2 GLU 3 HB2 GLU 3 5.864 -4.572 -4.828
29 HB3 GLU 3 HB3 GLU 3 5.436 -4.310 -6.537
30 HG2 GLU 3 HG2 GLU 3 7.609 -3.902 -7.157
31 HG3 GLU 3 HG3 GLU 3 7.932 -2.892 -5.714
32 H ASP 4 H ASP 4 4.651 -0.026 -5.144
33 HA ASP 4 HA ASP 4 4.721 0.367 -8.059
34 HB2 ASP 4 HB2 ASP 4 2.249 1.111 -7.993
35 HB3 ASP 4 HB3 ASP 4 2.478 -0.634 -7.796
36 H TRP 5 H TRP 5 3.756 2.727 -8.514
37 HA TRP 5 HA TRP 5 4.463 4.492 -6.242
38 HB2 TRP 5 HB2 TRP 5 5.940 5.806 -7.925
39 HB3 TRP 5 HB3 TRP 5 6.600 4.246 -7.361
40 HD1 TRP 5 HD1 TRP 5 6.828 2.402 -9.086
41 HE1 TRP 5 HE1 TRP 5 6.733 2.262 -11.698
42 HE3 TRP 5 HE3 TRP 5 4.591 6.868 -9.941
43 HZ2 TRP 5 HZ2 TRP 5 5.959 3.961 -13.796
44 HZ3 TRP 5 HZ3 TRP 5 4.263 7.600 -12.326
45 HH2 TRP 5 HH2 TRP 5 4.921 6.168 -14.164
46 H LEU 6 H LEU 6 3.967 6.803 -6.800
47 HA LEU 6 HA LEU 6 1.467 6.851 -8.409
48 HB2 LEU 6 HB2 LEU 6 0.845 7.318 -6.253
49 HB3 LEU 6 HB3 LEU 6 2.335 8.219 -5.875
50 HG LEU 6 HG LEU 6 1.610 10.126 -7.336
51 HD11 LEU 6 HD11 LEU 6 -0.625 8.158 -8.028
52 HD12 LEU 6 HD12 LEU 6 0.113 9.451 -8.986
53 HD13 LEU 6 HD13 LEU 6 -1.096 9.843 -7.733
54 HD21 LEU 6 HD21 LEU 6 -0.206 10.927 -5.845
55 HD22 LEU 6 HD22 LEU 6 1.148 10.193 -4.950
56 HD23 LEU 6 HD23 LEU 6 -0.373 9.269 -5.183
57 H CYS 7 H CYS 7 1.437 8.070 -10.305
58 HA CYS 7 HA CYS 7 3.806 9.474 -11.029
59 HB2 CYS 7 HB2 CYS 7 2.188 8.419 -12.681
60 HB3 CYS 7 HB3 CYS 7 0.961 9.607 -12.198
61 H ASN 8 H ASN 8 4.205 11.725 -11.217
62 HA ASN 8 HA ASN 8 2.549 13.442 -9.390
63 HB2 ASN 8 HB2 ASN 8 4.595 15.004 -9.612
64 HB3 ASN 8 HB3 ASN 8 4.786 13.473 -8.730
65 HD21 ASN 8 HD21 ASN 8 7.072 13.166 -9.128
66 HD22 ASN 8 HD22 ASN 8 7.673 12.897 -10.727
67 H LYS 9 H LYS 9 1.608 12.678 -12.095
68 HA LYS 9 HA LYS 9 1.296 15.446 -13.103
69 HB2 LYS 9 HB2 LYS 9 2.968 13.476 -14.381
70 HB3 LYS 9 HB3 LYS 9 1.441 13.404 -15.288
71 HG2 LYS 9 HG2 LYS 9 2.565 15.052 -16.476
72 HG3 LYS 9 HG3 LYS 9 1.595 16.041 -15.357
73 HD2 LYS 9 HD2 LYS 9 3.715 15.970 -13.781
74 HD3 LYS 9 HD3 LYS 9 4.570 15.246 -15.176
75 HE2 LYS 9 HE2 LYS 9 3.880 17.286 -16.547
76 HE3 LYS 9 HE3 LYS 9 3.170 17.980 -15.062
77 HZ1 LYS 9 HZ1 LYS 9 5.942 17.947 -15.917
78 HZ2 LYS 9 HZ2 LYS 9 5.798 17.229 -14.335
79 HZ3 LYS 9 HZ3 LYS 9 5.205 18.828 -14.600
80 H CYS 10 H CYS 10 0.231 12.002 -13.802
81 HA CYS 10 HA CYS 10 -2.526 13.106 -14.122
82 HB2 CYS 10 HB2 CYS 10 -3.092 10.862 -15.014
83 HB3 CYS 10 HB3 CYS 10 -1.778 11.691 -15.901
84 H CYS 11 H CYS 11 -0.561 11.872 -11.526
85 HA CYS 11 HA CYS 11 -1.161 11.299 -9.497
86 HB2 CYS 11 HB2 CYS 11 -3.422 12.762 -10.358
87 HB3 CYS 11 HB3 CYS 11 -4.063 11.330 -9.502
88 HG CYS 11 HG CYS 11 -3.627 13.292 -7.956
89 H LEU 12 H LEU 12 -1.322 9.345 -12.060
90 HA LEU 12 HA LEU 12 -3.200 7.374 -11.009
91 HB2 LEU 12 HB2 LEU 12 -3.132 8.107 -13.391
92 HB3 LEU 12 HB3 LEU 12 -1.555 7.319 -13.584
93 HG LEU 12 HG LEU 12 -3.623 5.515 -12.331
94 HD11 LEU 12 HD11 LEU 12 -5.060 5.194 -14.300
95 HD12 LEU 12 HD12 LEU 12 -4.146 6.443 -15.144
96 HD13 LEU 12 HD13 LEU 12 -5.151 6.896 -13.743
97 HD21 LEU 12 HD21 LEU 12 -1.259 5.042 -13.712
98 HD22 LEU 12 HD22 LEU 12 -2.449 4.727 -14.986
99 HD23 LEU 12 HD23 LEU 12 -2.546 3.846 -13.469
100 H ASN 13 H ASN 13 -2.470 5.412 -10.100
101 HA ASN 13 HA ASN 13 0.350 5.284 -9.446
102 HB2 ASN 13 HB2 ASN 13 -1.042 4.666 -7.644
103 HB3 ASN 13 HB3 ASN 13 -2.099 3.656 -8.662
104 HD21 ASN 13 HD21 ASN 13 -1.342 1.548 -9.468
105 HD22 ASN 13 HD22 ASN 13 -0.105 0.743 -8.574
106 H ASN 14 H ASN 14 1.859 3.566 -9.916
107 HA ASN 14 HA ASN 14 0.924 1.708 -11.989
108 HB2 ASN 14 HB2 ASN 14 3.300 3.618 -12.243
109 HB3 ASN 14 HB3 ASN 14 3.072 2.244 -13.328
110 HD21 ASN 14 HD21 ASN 14 2.311 5.610 -12.865
111 HD22 ASN 14 HD22 ASN 14 0.934 5.640 -13.883
112 H PHE 15 H PHE 15 2.112 -0.177 -12.161
113 HA PHE 15 HA PHE 15 3.276 -1.105 -9.841
114 HB2 PHE 15 HB2 PHE 15 2.923 -2.206 -12.565
115 HB3 PHE 15 HB3 PHE 15 4.464 -2.673 -11.887
116 HD1 PHE 15 HD1 PHE 15 0.784 -2.641 -11.233
117 HD2 PHE 15 HD2 PHE 15 4.600 -4.243 -10.038
118 HE1 PHE 15 HE1 PHE 15 -0.357 -4.402 -9.918
119 HE2 PHE 15 HE2 PHE 15 3.452 -5.994 -8.730
120 HZ PHE 15 HZ PHE 15 0.972 -6.100 -8.702
121 H ARG 16 H ARG 16 5.438 -1.596 -9.178
122 HA ARG 16 HA ARG 16 7.355 0.468 -9.878
123 HB2 ARG 16 HB2 ARG 16 7.320 -1.905 -8.048
124 HB3 ARG 16 HB3 ARG 16 8.879 -1.648 -8.836
125 HG2 ARG 16 HG2 ARG 16 8.612 0.826 -7.995
126 HG3 ARG 16 HG3 ARG 16 7.265 0.236 -7.005
127 HD2 ARG 16 HD2 ARG 16 8.624 -0.666 -5.483
128 HD3 ARG 16 HD3 ARG 16 9.652 -1.541 -6.679
129 HE ARG 16 HE ARG 16 10.498 1.083 -6.874
130 HH11 ARG 16 HH12 ARG 16 10.354 -1.458 -4.320
131 HH12 ARG 16 HH11 ARG 16 11.707 -0.746 -3.464
132 HH21 ARG 16 HH22 ARG 16 12.233 1.869 -5.739
133 HH22 ARG 16 HH21 ARG 16 12.773 1.080 -4.262
134 H LYS 17 H LYS 17 6.671 -2.580 -11.277
135 HA LYS 17 HA LYS 17 9.178 -2.696 -12.689
136 HB2 LYS 17 HB2 LYS 17 6.449 -4.179 -12.772
137 HB3 LYS 17 HB3 LYS 17 7.259 -3.960 -14.316
138 HG2 LYS 17 HG2 LYS 17 9.395 -4.858 -13.069
139 HG3 LYS 17 HG3 LYS 17 8.287 -5.386 -11.777
140 HD2 LYS 17 HD2 LYS 17 7.220 -6.958 -13.154
141 HD3 LYS 17 HD3 LYS 17 7.593 -6.140 -14.668
142 HE2 LYS 17 HE2 LYS 17 9.353 -7.374 -15.096
143 HE3 LYS 17 HE3 LYS 17 10.216 -6.811 -13.672
144 HZ1 LYS 17 HZ1 LYS 17 9.803 -8.657 -12.482
145 HZ2 LYS 17 HZ2 LYS 17 9.633 -9.353 -14.079
146 HZ3 LYS 17 HZ3 LYS 17 8.230 -8.984 -13.148
147 H ARG 18 H ARG 18 6.375 -0.682 -13.096
148 HA ARG 18 HA ARG 18 6.603 -0.522 -15.914
149 HB2 ARG 18 HB2 ARG 18 4.769 0.577 -13.975
150 HB3 ARG 18 HB3 ARG 18 5.623 1.955 -14.613
151 HG2 ARG 18 HG2 ARG 18 4.027 1.916 -16.231
152 HG3 ARG 18 HG3 ARG 18 4.976 0.639 -16.982
153 HD2 ARG 18 HD2 ARG 18 2.924 -0.466 -16.833
154 HD3 ARG 18 HD3 ARG 18 3.642 -0.930 -15.261
155 HE ARG 18 HE ARG 18 2.051 1.581 -15.221
156 HH11 ARG 18 HH12 ARG 18 1.691 -1.987 -15.210
157 HH12 ARG 18 HH11 ARG 18 0.156 -1.890 -14.368
158 HH21 ARG 18 HH22 ARG 18 0.082 1.611 -14.183
159 HH22 ARG 18 HH21 ARG 18 -0.735 0.102 -13.783
160 H LEU 19 H LEU 19 8.126 0.668 -17.149
161 HA LEU 19 HA LEU 19 10.166 2.259 -15.680
162 HB2 LEU 19 HB2 LEU 19 9.725 1.523 -18.621
163 HB3 LEU 19 HB3 LEU 19 11.124 2.428 -18.055
164 HG LEU 19 HG LEU 19 10.538 -0.296 -16.761
165 HD11 LEU 19 HD11 LEU 19 10.361 -1.082 -18.917
166 HD12 LEU 19 HD12 LEU 19 12.116 -1.234 -18.705
167 HD13 LEU 19 HD13 LEU 19 11.455 0.149 -19.615
168 HD21 LEU 19 HD21 LEU 19 13.285 -0.133 -17.080
169 HD22 LEU 19 HD22 LEU 19 12.399 0.450 -15.657
170 HD23 LEU 19 HD23 LEU 19 12.904 1.587 -16.928
171 H LYS 20 H LYS 20 6.959 2.977 -16.656
172 HA LYS 20 HA LYS 20 7.478 5.643 -16.496
173 HB2 LYS 20 HB2 LYS 20 7.845 4.498 -19.208
174 HB3 LYS 20 HB3 LYS 20 6.453 5.612 -19.263
175 HG2 LYS 20 HG2 LYS 20 7.718 7.501 -18.631
176 HG3 LYS 20 HG3 LYS 20 9.064 6.528 -18.018
177 HD2 LYS 20 HD2 LYS 20 8.559 6.026 -20.914
178 HD3 LYS 20 HD3 LYS 20 8.882 7.736 -20.531
179 HE2 LYS 20 HE2 LYS 20 10.966 6.973 -19.217
180 HE3 LYS 20 HE3 LYS 20 10.655 5.311 -19.797
181 HZ1 LYS 20 HZ1 LYS 20 11.231 5.909 -21.976
182 HZ2 LYS 20 HZ2 LYS 20 12.289 6.952 -21.041
183 HZ3 LYS 20 HZ3 LYS 20 10.859 7.604 -21.760
184 H CYS 21 H CYS 21 5.517 6.935 -16.598
185 HA CYS 21 HA CYS 21 3.352 5.468 -15.603
186 HB2 CYS 21 HB2 CYS 21 3.811 7.999 -15.320
187 HB3 CYS 21 HB3 CYS 21 3.223 8.225 -17.007
188 H PHE 22 H PHE 22 1.670 4.277 -16.529
189 HA PHE 22 HA PHE 22 1.724 4.078 -19.484
190 HB2 PHE 22 HB2 PHE 22 1.451 2.180 -17.521
191 HB3 PHE 22 HB3 PHE 22 -0.265 2.588 -17.739
192 HD1 PHE 22 HD1 PHE 22 2.925 1.531 -19.412
193 HD2 PHE 22 HD2 PHE 22 -1.360 1.759 -19.789
194 HE1 PHE 22 HE1 PHE 22 3.018 0.047 -21.390
195 HE2 PHE 22 HE2 PHE 22 -1.260 0.271 -21.762
196 HZ PHE 22 HZ PHE 22 0.926 -0.586 -22.567
197 H ARG 23 H ARG 23 0.359 6.309 -17.438
198 HA ARG 23 HA ARG 23 -2.207 6.378 -18.914
199 HB2 ARG 23 HB2 ARG 23 -2.483 6.250 -16.602
200 HB3 ARG 23 HB3 ARG 23 -1.248 7.448 -16.173
201 HG2 ARG 23 HG2 ARG 23 -3.348 8.549 -15.831
202 HG3 ARG 23 HG3 ARG 23 -2.597 9.274 -17.237
203 HD2 ARG 23 HD2 ARG 23 -4.399 8.840 -18.470
204 HD3 ARG 23 HD3 ARG 23 -4.229 7.068 -18.243
205 HE ARG 23 HE ARG 23 -5.530 7.997 -15.951
206 HH11 ARG 23 HH12 ARG 23 -6.139 7.829 -19.483
207 HH12 ARG 23 HH11 ARG 23 -7.866 7.660 -19.232
208 HH21 ARG 23 HH22 ARG 23 -7.705 7.635 -15.725
209 HH22 ARG 23 HH21 ARG 23 -8.742 7.542 -17.146
210 H CYS 24 H CYS 24 0.391 8.622 -17.607
211 HA CYS 24 HA CYS 24 -0.405 10.515 -19.750
212 HB2 CYS 24 HB2 CYS 24 0.705 12.212 -18.512
213 HB3 CYS 24 HB3 CYS 24 -0.194 11.193 -17.346
214 H GLY 25 H GLY 25 2.091 8.008 -19.069
215 HA2 GLY 25 HA2 GLY 25 3.648 7.384 -20.688
216 HA3 GLY 25 HA3 GLY 25 3.517 8.962 -21.474
217 H ALA 26 H ALA 26 3.796 10.486 -18.899
218 HA ALA 26 HA ALA 26 6.524 10.861 -19.022
219 HB1 ALA 26 HB1 ALA 26 4.673 12.442 -18.009
220 HB2 ALA 26 HB2 ALA 26 4.968 11.555 -16.481
221 HB3 ALA 26 HB3 ALA 26 6.292 12.459 -17.273
222 H ASP 27 H ASP 27 8.301 10.339 -17.575
223 HA ASP 27 HA ASP 27 8.007 7.762 -16.345
224 HB2 ASP 27 HB2 ASP 27 10.127 8.648 -17.527
225 HB3 ASP 27 HB3 ASP 27 10.373 9.627 -16.064
226 H LYS 28 H LYS 28 8.489 7.118 -14.178
227 HA LYS 28 HA LYS 28 6.994 8.622 -12.286
228 HB2 LYS 28 HB2 LYS 28 8.041 7.151 -10.597
229 HB3 LYS 28 HB3 LYS 28 7.398 6.257 -11.988
230 HG2 LYS 28 HG2 LYS 28 9.378 5.320 -12.568
231 HG3 LYS 28 HG3 LYS 28 10.233 6.871 -12.467
232 HD2 LYS 28 HD2 LYS 28 11.289 5.508 -10.865
233 HD3 LYS 28 HD3 LYS 28 10.331 6.733 -10.003
234 HE2 LYS 28 HE2 LYS 28 9.731 4.785 -8.810
235 HE3 LYS 28 HE3 LYS 28 8.425 4.833 -10.013
236 HZ1 LYS 28 HZ1 LYS 28 10.968 3.218 -10.280
237 HZ2 LYS 28 HZ2 LYS 28 9.616 3.199 -11.394
238 HZ3 LYS 28 HZ3 LYS 28 9.419 2.604 -9.774
239 H PHE 29 H PHE 29 10.337 9.075 -13.454
240 HA PHE 29 HA PHE 29 10.788 10.934 -11.156
241 HB2 PHE 29 HB2 PHE 29 12.377 8.789 -12.353
242 HB3 PHE 29 HB3 PHE 29 13.211 10.301 -12.704
243 HD1 PHE 29 HD1 PHE 29 12.902 12.036 -10.460
244 HD2 PHE 29 HD2 PHE 29 13.287 7.742 -10.465
245 HE1 PHE 29 HE1 PHE 29 13.804 12.107 -8.160
246 HE2 PHE 29 HE2 PHE 29 14.224 7.827 -8.190
247 HZ PHE 29 HZ PHE 29 14.484 10.006 -7.026
248 H ASP 30 H ASP 30 9.170 11.433 -13.767
249 HA ASP 30 HA ASP 30 10.969 13.600 -14.858
250 HB2 ASP 30 HB2 ASP 30 10.413 11.748 -16.443
251 HB3 ASP 30 HB3 ASP 30 8.664 12.110 -16.177
252 HN1 NH2 31 HN1 NH2 31 8.526 15.043 -16.131
253 HN2 NH2 31 HN2 NH2 31 7.663 15.559 -14.762
Start of MODEL 16
1 H1 ACE 0 H1 ACE 0 -1.369 0.347 1.323
2 H2 ACE 0 H2 ACE 0 -1.482 -1.430 1.101
3 H3 ACE 0 H3 ACE 0 -2.691 -0.350 0.339
4 H LYS 1 H LYS 1 0.965 -0.661 0.470
5 HA LYS 1 HA LYS 1 0.972 0.193 -2.394
6 HB2 LYS 1 HB2 LYS 1 2.334 1.298 -0.330
7 HB3 LYS 1 HB3 LYS 1 3.516 0.030 -0.735
8 HG2 LYS 1 HG2 LYS 1 3.209 0.856 -3.210
9 HG3 LYS 1 HG3 LYS 1 2.361 2.263 -2.477
10 HD2 LYS 1 HD2 LYS 1 4.598 2.471 -1.023
11 HD3 LYS 1 HD3 LYS 1 5.273 1.343 -2.222
12 HE2 LYS 1 HE2 LYS 1 5.758 3.197 -3.505
13 HE3 LYS 1 HE3 LYS 1 4.015 3.274 -3.864
14 HZ1 LYS 1 HZ1 LYS 1 3.959 4.662 -1.587
15 HZ2 LYS 1 HZ2 LYS 1 4.388 5.382 -3.096
16 HZ3 LYS 1 HZ3 LYS 1 5.648 4.910 -1.994
17 H PHE 2 H PHE 2 0.683 -1.833 -3.582
18 HA PHE 2 HA PHE 2 2.289 -4.173 -2.619
19 HB2 PHE 2 HB2 PHE 2 0.336 -3.964 -4.951
20 HB3 PHE 2 HB3 PHE 2 0.984 -5.459 -4.221
21 HD1 PHE 2 HD1 PHE 2 0.622 -5.136 -1.316
22 HD2 PHE 2 HD2 PHE 2 -1.978 -3.863 -4.513
23 HE1 PHE 2 HE1 PHE 2 -1.294 -5.175 0.217
24 HE2 PHE 2 HE2 PHE 2 -3.899 -3.981 -2.982
25 HZ PHE 2 HZ PHE 2 -3.571 -4.633 -0.608
26 H GLU 3 H GLU 3 4.142 -2.414 -3.196
27 HA GLU 3 HA GLU 3 5.951 -2.118 -4.517
28 HB2 GLU 3 HB2 GLU 3 5.574 -4.706 -4.512
29 HB3 GLU 3 HB3 GLU 3 5.079 -4.544 -6.213
30 HG2 GLU 3 HG2 GLU 3 7.261 -4.341 -6.911
31 HG3 GLU 3 HG3 GLU 3 7.675 -3.188 -5.604
32 H ASP 4 H ASP 4 4.497 -0.141 -5.042
33 HA ASP 4 HA ASP 4 4.445 0.128 -7.975
34 HB2 ASP 4 HB2 ASP 4 2.000 1.006 -7.808
35 HB3 ASP 4 HB3 ASP 4 2.195 -0.749 -7.586
36 H TRP 5 H TRP 5 3.675 2.534 -8.490
37 HA TRP 5 HA TRP 5 4.510 4.357 -6.288
38 HB2 TRP 5 HB2 TRP 5 6.032 5.547 -8.010
39 HB3 TRP 5 HB3 TRP 5 6.596 3.943 -7.462
40 HD1 TRP 5 HD1 TRP 5 6.612 2.057 -9.111
41 HE1 TRP 5 HE1 TRP 5 6.423 1.817 -11.682
42 HE3 TRP 5 HE3 TRP 5 4.621 6.640 -10.135
43 HZ2 TRP 5 HZ2 TRP 5 5.674 3.422 -13.825
44 HZ3 TRP 5 HZ3 TRP 5 4.199 7.207 -12.576
45 HH2 TRP 5 HH2 TRP 5 4.806 5.677 -14.327
46 H LEU 6 H LEU 6 4.042 6.707 -6.913
47 HA LEU 6 HA LEU 6 1.490 6.725 -8.475
48 HB2 LEU 6 HB2 LEU 6 2.536 8.706 -6.393
49 HB3 LEU 6 HB3 LEU 6 0.992 8.776 -7.267
50 HG LEU 6 HG LEU 6 1.107 6.136 -6.132
51 HD11 LEU 6 HD11 LEU 6 2.078 8.214 -4.095
52 HD12 LEU 6 HD12 LEU 6 2.856 6.675 -4.583
53 HD13 LEU 6 HD13 LEU 6 1.334 6.654 -3.649
54 HD21 LEU 6 HD21 LEU 6 -0.426 8.550 -5.005
55 HD22 LEU 6 HD22 LEU 6 -0.861 6.822 -4.849
56 HD23 LEU 6 HD23 LEU 6 -0.945 7.618 -6.445
57 H CYS 7 H CYS 7 1.639 7.825 -10.498
58 HA CYS 7 HA CYS 7 4.094 8.986 -11.288
59 HB2 CYS 7 HB2 CYS 7 2.102 8.218 -12.831
60 HB3 CYS 7 HB3 CYS 7 1.270 9.691 -12.294
61 H ASN 8 H ASN 8 4.757 11.178 -11.764
62 HA ASN 8 HA ASN 8 3.745 12.995 -9.617
63 HB2 ASN 8 HB2 ASN 8 6.379 12.331 -10.561
64 HB3 ASN 8 HB3 ASN 8 6.103 13.995 -11.078
65 HD21 ASN 8 HD21 ASN 8 5.218 15.495 -9.210
66 HD22 ASN 8 HD22 ASN 8 5.842 15.146 -7.628
67 H LYS 9 H LYS 9 2.308 12.416 -12.254
68 HA LYS 9 HA LYS 9 2.055 15.260 -13.071
69 HB2 LYS 9 HB2 LYS 9 3.523 13.414 -14.520
70 HB3 LYS 9 HB3 LYS 9 1.922 13.104 -15.223
71 HG2 LYS 9 HG2 LYS 9 3.118 15.934 -15.019
72 HG3 LYS 9 HG3 LYS 9 3.507 14.846 -16.370
73 HD2 LYS 9 HD2 LYS 9 1.124 14.660 -17.011
74 HD3 LYS 9 HD3 LYS 9 0.653 15.690 -15.623
75 HE2 LYS 9 HE2 LYS 9 2.281 17.488 -16.693
76 HE3 LYS 9 HE3 LYS 9 2.247 16.440 -18.136
77 HZ1 LYS 9 HZ1 LYS 9 -0.394 16.649 -17.747
78 HZ2 LYS 9 HZ2 LYS 9 0.502 17.901 -18.569
79 HZ3 LYS 9 HZ3 LYS 9 0.087 18.088 -16.884
80 H CYS 10 H CYS 10 0.576 11.931 -13.550
81 HA CYS 10 HA CYS 10 -2.079 13.285 -13.181
82 HB2 CYS 10 HB2 CYS 10 -2.956 11.289 -14.248
83 HB3 CYS 10 HB3 CYS 10 -1.710 12.023 -15.317
84 H CYS 11 H CYS 11 0.233 11.604 -11.174
85 HA CYS 11 HA CYS 11 -0.041 10.550 -9.189
86 HB2 CYS 11 HB2 CYS 11 -1.726 12.625 -9.116
87 HB3 CYS 11 HB3 CYS 11 -2.964 11.334 -9.045
88 HG CYS 11 HG CYS 11 -0.650 11.824 -7.072
89 H LEU 12 H LEU 12 -0.881 9.105 -11.827
90 HA LEU 12 HA LEU 12 -2.930 7.277 -10.926
91 HB2 LEU 12 HB2 LEU 12 -2.559 7.901 -13.359
92 HB3 LEU 12 HB3 LEU 12 -0.962 7.127 -13.246
93 HG LEU 12 HG LEU 12 -2.333 4.989 -12.484
94 HD11 LEU 12 HD11 LEU 12 -4.585 5.169 -12.337
95 HD12 LEU 12 HD12 LEU 12 -4.693 5.395 -14.090
96 HD13 LEU 12 HD13 LEU 12 -4.550 6.803 -13.016
97 HD21 LEU 12 HD21 LEU 12 -1.911 4.031 -14.432
98 HD22 LEU 12 HD22 LEU 12 -1.200 5.581 -14.903
99 HD23 LEU 12 HD23 LEU 12 -2.860 5.174 -15.383
100 H ASN 13 H ASN 13 -2.513 5.151 -10.073
101 HA ASN 13 HA ASN 13 0.128 4.753 -8.968
102 HB2 ASN 13 HB2 ASN 13 -2.444 3.743 -8.290
103 HB3 ASN 13 HB3 ASN 13 -1.612 2.330 -8.972
104 HD21 ASN 13 HD21 ASN 13 -1.140 5.133 -6.714
105 HD22 ASN 13 HD22 ASN 13 -0.244 4.216 -5.540
106 H ASN 14 H ASN 14 1.707 3.099 -9.649
107 HA ASN 14 HA ASN 14 0.919 1.436 -11.982
108 HB2 ASN 14 HB2 ASN 14 3.054 3.591 -11.844
109 HB3 ASN 14 HB3 ASN 14 3.304 2.213 -12.930
110 HD21 ASN 14 HD21 ASN 14 2.102 5.386 -12.984
111 HD22 ASN 14 HD22 ASN 14 1.014 5.160 -14.294
112 H PHE 15 H PHE 15 2.133 -0.477 -12.166
113 HA PHE 15 HA PHE 15 3.155 -1.523 -9.842
114 HB2 PHE 15 HB2 PHE 15 2.908 -2.525 -12.570
115 HB3 PHE 15 HB3 PHE 15 4.556 -2.829 -12.064
116 HD1 PHE 15 HD1 PHE 15 4.892 -4.013 -9.719
117 HD2 PHE 15 HD2 PHE 15 1.152 -3.978 -11.855
118 HE1 PHE 15 HE1 PHE 15 4.104 -5.901 -8.368
119 HE2 PHE 15 HE2 PHE 15 0.445 -5.981 -10.611
120 HZ PHE 15 HZ PHE 15 1.900 -6.939 -8.844
121 H ARG 16 H ARG 16 5.303 -1.853 -8.963
122 HA ARG 16 HA ARG 16 7.313 0.092 -9.678
123 HB2 ARG 16 HB2 ARG 16 7.216 -2.313 -7.849
124 HB3 ARG 16 HB3 ARG 16 8.811 -1.853 -8.456
125 HG2 ARG 16 HG2 ARG 16 8.160 0.570 -7.606
126 HG3 ARG 16 HG3 ARG 16 6.899 -0.246 -6.689
127 HD2 ARG 16 HD2 ARG 16 8.358 -0.850 -5.087
128 HD3 ARG 16 HD3 ARG 16 9.419 -1.718 -6.248
129 HE ARG 16 HE ARG 16 10.054 0.986 -6.550
130 HH11 ARG 16 HH12 ARG 16 10.240 -1.552 -4.000
131 HH12 ARG 16 HH11 ARG 16 11.579 -0.736 -3.211
132 HH21 ARG 16 HH22 ARG 16 11.758 1.926 -5.483
133 HH22 ARG 16 HH21 ARG 16 12.436 1.179 -4.041
134 H LYS 17 H LYS 17 6.742 -3.095 -10.994
135 HA LYS 17 HA LYS 17 9.340 -3.336 -12.169
136 HB2 LYS 17 HB2 LYS 17 7.797 -5.166 -12.104
137 HB3 LYS 17 HB3 LYS 17 6.527 -4.284 -13.004
138 HG2 LYS 17 HG2 LYS 17 7.498 -4.501 -15.053
139 HG3 LYS 17 HG3 LYS 17 9.168 -4.632 -14.465
140 HD2 LYS 17 HD2 LYS 17 7.149 -6.827 -13.775
141 HD3 LYS 17 HD3 LYS 17 7.883 -6.750 -15.383
142 HE2 LYS 17 HE2 LYS 17 10.044 -6.442 -13.373
143 HE3 LYS 17 HE3 LYS 17 9.010 -7.773 -12.867
144 HZ1 LYS 17 HZ1 LYS 17 9.428 -8.365 -15.582
145 HZ2 LYS 17 HZ2 LYS 17 10.303 -8.989 -14.250
146 HZ3 LYS 17 HZ3 LYS 17 10.905 -7.601 -15.104
147 H ARG 18 H ARG 18 6.719 -1.025 -12.852
148 HA ARG 18 HA ARG 18 7.616 -0.776 -15.645
149 HB2 ARG 18 HB2 ARG 18 5.186 -0.163 -14.194
150 HB3 ARG 18 HB3 ARG 18 5.923 1.376 -14.624
151 HG2 ARG 18 HG2 ARG 18 6.046 0.036 -17.083
152 HG3 ARG 18 HG3 ARG 18 4.650 -0.755 -16.327
153 HD2 ARG 18 HD2 ARG 18 4.291 2.167 -15.985
154 HD3 ARG 18 HD3 ARG 18 4.891 1.817 -17.609
155 HE ARG 18 HE ARG 18 2.881 0.966 -18.185
156 HH11 ARG 18 HH12 ARG 18 3.162 0.710 -14.633
157 HH12 ARG 18 HH11 ARG 18 1.482 0.270 -14.439
158 HH21 ARG 18 HH22 ARG 18 0.725 0.349 -17.843
159 HH22 ARG 18 HH21 ARG 18 0.137 0.052 -16.210
160 H LEU 19 H LEU 19 8.140 1.502 -16.482
161 HA LEU 19 HA LEU 19 9.389 3.224 -14.408
162 HB2 LEU 19 HB2 LEU 19 10.652 1.887 -16.826
163 HB3 LEU 19 HB3 LEU 19 11.347 3.423 -16.266
164 HG LEU 19 HG LEU 19 10.995 1.119 -14.303
165 HD11 LEU 19 HD11 LEU 19 13.487 0.666 -14.801
166 HD12 LEU 19 HD12 LEU 19 13.245 1.599 -16.313
167 HD13 LEU 19 HD13 LEU 19 12.299 0.108 -16.016
168 HD21 LEU 19 HD21 LEU 19 12.230 2.424 -12.840
169 HD22 LEU 19 HD22 LEU 19 11.674 3.794 -13.837
170 HD23 LEU 19 HD23 LEU 19 13.275 3.089 -14.127
171 H LYS 20 H LYS 20 6.803 3.463 -16.052
172 HA LYS 20 HA LYS 20 7.252 6.158 -16.593
173 HB2 LYS 20 HB2 LYS 20 6.857 6.081 -19.168
174 HB3 LYS 20 HB3 LYS 20 8.484 5.630 -18.608
175 HG2 LYS 20 HG2 LYS 20 7.683 3.156 -18.623
176 HG3 LYS 20 HG3 LYS 20 6.213 3.734 -19.428
177 HD2 LYS 20 HD2 LYS 20 8.735 4.701 -20.744
178 HD3 LYS 20 HD3 LYS 20 8.664 2.933 -20.635
179 HE2 LYS 20 HE2 LYS 20 6.500 4.733 -21.886
180 HE3 LYS 20 HE3 LYS 20 7.755 3.805 -22.755
181 HZ1 LYS 20 HZ1 LYS 20 6.746 1.734 -21.545
182 HZ2 LYS 20 HZ2 LYS 20 5.918 2.427 -22.911
183 HZ3 LYS 20 HZ3 LYS 20 5.328 2.744 -21.328
184 H CYS 21 H CYS 21 5.237 7.210 -16.598
185 HA CYS 21 HA CYS 21 3.106 5.470 -15.876
186 HB2 CYS 21 HB2 CYS 21 3.410 7.798 -15.097
187 HB3 CYS 21 HB3 CYS 21 3.054 8.414 -16.757
188 H PHE 22 H PHE 22 1.499 4.462 -17.140
189 HA PHE 22 HA PHE 22 1.852 4.624 -20.047
190 HB2 PHE 22 HB2 PHE 22 1.233 2.597 -18.494
191 HB3 PHE 22 HB3 PHE 22 -0.433 3.200 -18.579
192 HD1 PHE 22 HD1 PHE 22 2.533 1.927 -20.493
193 HD2 PHE 22 HD2 PHE 22 -1.651 2.910 -20.737
194 HE1 PHE 22 HE1 PHE 22 2.373 0.710 -22.636
195 HE2 PHE 22 HE2 PHE 22 -1.794 1.724 -22.902
196 HZ PHE 22 HZ PHE 22 0.215 0.624 -23.857
197 H ARG 23 H ARG 23 -0.140 6.249 -17.615
198 HA ARG 23 HA ARG 23 -2.386 6.748 -19.319
199 HB2 ARG 23 HB2 ARG 23 -2.201 6.848 -16.695
200 HB3 ARG 23 HB3 ARG 23 -1.591 8.477 -16.903
201 HG2 ARG 23 HG2 ARG 23 -3.741 8.764 -18.421
202 HG3 ARG 23 HG3 ARG 23 -4.316 7.285 -17.619
203 HD2 ARG 23 HD2 ARG 23 -3.277 9.344 -15.675
204 HD3 ARG 23 HD3 ARG 23 -4.550 9.956 -16.765
205 HE ARG 23 HE ARG 23 -5.218 7.418 -15.465
206 HH11 ARG 23 HH12 ARG 23 -5.081 10.981 -14.889
207 HH12 ARG 23 HH11 ARG 23 -6.206 10.873 -13.558
208 HH21 ARG 23 HH22 ARG 23 -6.726 7.432 -13.793
209 HH22 ARG 23 HH21 ARG 23 -7.121 8.929 -12.959
210 H CYS 24 H CYS 24 0.229 9.016 -18.018
211 HA CYS 24 HA CYS 24 -0.523 10.918 -20.162
212 HB2 CYS 24 HB2 CYS 24 1.040 12.471 -18.982
213 HB3 CYS 24 HB3 CYS 24 -0.334 11.913 -17.981
214 H GLY 25 H GLY 25 1.921 8.335 -19.467
215 HA2 GLY 25 HA2 GLY 25 3.362 7.573 -21.134
216 HA3 GLY 25 HA3 GLY 25 3.165 9.079 -22.035
217 H ALA 26 H ALA 26 3.626 10.168 -18.822
218 HA ALA 26 HA ALA 26 6.349 10.855 -19.622
219 HB1 ALA 26 HB1 ALA 26 5.145 11.772 -16.995
220 HB2 ALA 26 HB2 ALA 26 6.207 12.642 -18.141
221 HB3 ALA 26 HB3 ALA 26 4.475 12.434 -18.517
222 H ASP 27 H ASP 27 8.105 10.818 -17.863
223 HA ASP 27 HA ASP 27 8.263 8.097 -17.005
224 HB2 ASP 27 HB2 ASP 27 10.212 9.681 -17.720
225 HB3 ASP 27 HB3 ASP 27 10.223 10.155 -15.994
226 H LYS 28 H LYS 28 9.116 7.757 -14.527
227 HA LYS 28 HA LYS 28 6.814 8.209 -12.884
228 HB2 LYS 28 HB2 LYS 28 9.710 7.635 -12.033
229 HB3 LYS 28 HB3 LYS 28 8.284 7.472 -10.983
230 HG2 LYS 28 HG2 LYS 28 7.452 5.602 -12.271
231 HG3 LYS 28 HG3 LYS 28 8.609 5.807 -13.582
232 HD2 LYS 28 HD2 LYS 28 9.687 4.107 -12.414
233 HD3 LYS 28 HD3 LYS 28 10.484 5.511 -11.735
234 HE2 LYS 28 HE2 LYS 28 8.201 5.075 -10.048
235 HE3 LYS 28 HE3 LYS 28 8.706 3.432 -10.553
236 HZ1 LYS 28 HZ1 LYS 28 10.416 5.550 -9.268
237 HZ2 LYS 28 HZ2 LYS 28 10.996 3.974 -9.811
238 HZ3 LYS 28 HZ3 LYS 28 9.800 4.087 -8.524
239 H PHE 29 H PHE 29 10.157 9.732 -12.892
240 HA PHE 29 HA PHE 29 9.055 11.853 -11.085
241 HB2 PHE 29 HB2 PHE 29 11.529 10.358 -11.074
242 HB3 PHE 29 HB3 PHE 29 11.974 12.006 -11.512
243 HD1 PHE 29 HD1 PHE 29 10.330 13.814 -10.045
244 HD2 PHE 29 HD2 PHE 29 11.836 9.985 -8.768
245 HE1 PHE 29 HE1 PHE 29 10.104 14.502 -7.684
246 HE2 PHE 29 HE2 PHE 29 11.663 10.703 -6.421
247 HZ PHE 29 HZ PHE 29 10.789 12.959 -5.865
248 H ASP 30 H ASP 30 8.623 11.533 -14.168
249 HA ASP 30 HA ASP 30 8.834 12.712 -16.024
250 HB2 ASP 30 HB2 ASP 30 8.108 14.863 -15.911
251 HB3 ASP 30 HB3 ASP 30 7.630 14.242 -14.309
252 HN1 NH2 31 HN1 NH2 31 11.451 14.406 -13.977
253 HN2 NH2 31 HN2 NH2 31 12.588 14.250 -15.263
Start of MODEL 17
1 H1 ACE 0 H1 ACE 0 -2.535 0.339 -1.566
2 H2 ACE 0 H2 ACE 0 -2.267 -1.437 -1.472
3 H3 ACE 0 H3 ACE 0 -2.805 -0.689 -3.008
4 H LYS 1 H LYS 1 -0.078 -0.298 -0.581
5 HA LYS 1 HA LYS 1 1.632 0.682 -2.775
6 HB2 LYS 1 HB2 LYS 1 1.554 1.387 -0.184
7 HB3 LYS 1 HB3 LYS 1 2.652 0.012 0.017
8 HG2 LYS 1 HG2 LYS 1 4.003 1.233 -1.990
9 HG3 LYS 1 HG3 LYS 1 2.920 2.599 -1.614
10 HD2 LYS 1 HD2 LYS 1 4.783 3.112 -0.272
11 HD3 LYS 1 HD3 LYS 1 3.733 2.262 0.893
12 HE2 LYS 1 HE2 LYS 1 5.047 0.130 0.456
13 HE3 LYS 1 HE3 LYS 1 6.061 1.016 -0.721
14 HZ1 LYS 1 HZ1 LYS 1 7.104 0.785 1.490
15 HZ2 LYS 1 HZ2 LYS 1 5.827 1.742 2.201
16 HZ3 LYS 1 HZ3 LYS 1 6.901 2.453 1.011
17 H PHE 2 H PHE 2 0.894 -1.783 -3.670
18 HA PHE 2 HA PHE 2 2.680 -3.880 -2.537
19 HB2 PHE 2 HB2 PHE 2 0.509 -3.910 -4.711
20 HB3 PHE 2 HB3 PHE 2 1.611 -5.272 -4.414
21 HD1 PHE 2 HD2 PHE 2 1.757 -6.384 -2.190
22 HD2 PHE 2 HD1 PHE 2 -1.380 -3.587 -3.116
23 HE1 PHE 2 HE2 PHE 2 0.360 -7.363 -0.404
24 HE2 PHE 2 HE1 PHE 2 -2.781 -4.585 -1.336
25 HZ PHE 2 HZ PHE 2 -1.919 -6.476 0.019
26 H GLU 3 H GLU 3 4.472 -2.139 -3.179
27 HA GLU 3 HA GLU 3 6.257 -1.764 -4.507
28 HB2 GLU 3 HB2 GLU 3 6.014 -4.342 -4.436
29 HB3 GLU 3 HB3 GLU 3 5.482 -4.276 -6.135
30 HG2 GLU 3 HG2 GLU 3 7.630 -3.912 -6.904
31 HG3 GLU 3 HG3 GLU 3 8.025 -2.781 -5.572
32 H ASP 4 H ASP 4 4.723 0.140 -5.075
33 HA ASP 4 HA ASP 4 4.696 0.352 -8.020
34 HB2 ASP 4 HB2 ASP 4 2.229 1.070 -7.904
35 HB3 ASP 4 HB3 ASP 4 2.493 -0.659 -7.602
36 H TRP 5 H TRP 5 3.788 2.699 -8.586
37 HA TRP 5 HA TRP 5 4.525 4.597 -6.406
38 HB2 TRP 5 HB2 TRP 5 5.961 5.836 -8.163
39 HB3 TRP 5 HB3 TRP 5 6.614 4.266 -7.613
40 HD1 TRP 5 HD1 TRP 5 6.687 2.361 -9.264
41 HE1 TRP 5 HE1 TRP 5 6.461 2.115 -11.829
42 HE3 TRP 5 HE3 TRP 5 4.430 6.828 -10.235
43 HZ2 TRP 5 HZ2 TRP 5 5.621 3.681 -13.968
44 HZ3 TRP 5 HZ3 TRP 5 4.013 7.427 -12.658
45 HH2 TRP 5 HH2 TRP 5 4.743 5.960 -14.432
46 H LEU 6 H LEU 6 3.883 6.880 -7.004
47 HA LEU 6 HA LEU 6 1.383 6.757 -8.644
48 HB2 LEU 6 HB2 LEU 6 2.183 8.636 -6.375
49 HB3 LEU 6 HB3 LEU 6 0.770 8.818 -7.433
50 HG LEU 6 HG LEU 6 0.732 6.061 -6.460
51 HD11 LEU 6 HD11 LEU 6 0.747 6.206 -4.083
52 HD12 LEU 6 HD12 LEU 6 0.920 7.989 -4.100
53 HD13 LEU 6 HD13 LEU 6 2.277 6.941 -4.629
54 HD21 LEU 6 HD21 LEU 6 -1.312 7.192 -7.055
55 HD22 LEU 6 HD22 LEU 6 -1.020 8.531 -5.899
56 HD23 LEU 6 HD23 LEU 6 -1.403 6.897 -5.293
57 H CYS 7 H CYS 7 1.417 7.956 -10.554
58 HA CYS 7 HA CYS 7 3.817 9.254 -11.321
59 HB2 CYS 7 HB2 CYS 7 1.887 8.361 -12.860
60 HB3 CYS 7 HB3 CYS 7 0.947 9.782 -12.324
61 H ASN 8 H ASN 8 4.336 11.564 -11.656
62 HA ASN 8 HA ASN 8 3.051 13.216 -9.540
63 HB2 ASN 8 HB2 ASN 8 5.007 14.465 -9.502
64 HB3 ASN 8 HB3 ASN 8 5.618 12.836 -9.858
65 HD21 ASN 8 HD21 ASN 8 5.392 16.158 -11.086
66 HD22 ASN 8 HD22 ASN 8 6.172 15.828 -12.589
67 H LYS 9 H LYS 9 1.760 12.576 -12.284
68 HA LYS 9 HA LYS 9 1.291 15.416 -13.084
69 HB2 LYS 9 HB2 LYS 9 2.810 13.423 -14.496
70 HB3 LYS 9 HB3 LYS 9 1.265 13.460 -15.357
71 HG2 LYS 9 HG2 LYS 9 2.862 16.025 -14.722
72 HG3 LYS 9 HG3 LYS 9 3.206 14.988 -16.111
73 HD2 LYS 9 HD2 LYS 9 0.351 15.420 -16.266
74 HD3 LYS 9 HD3 LYS 9 1.048 16.984 -15.784
75 HE2 LYS 9 HE2 LYS 9 2.678 16.818 -17.697
76 HE3 LYS 9 HE3 LYS 9 1.957 15.249 -18.176
77 HZ1 LYS 9 HZ1 LYS 9 1.189 17.263 -19.452
78 HZ2 LYS 9 HZ2 LYS 9 0.351 17.802 -18.020
79 HZ3 LYS 9 HZ3 LYS 9 -0.082 16.276 -18.773
80 H CYS 10 H CYS 10 0.138 12.019 -13.810
81 HA CYS 10 HA CYS 10 -2.639 13.109 -13.570
82 HB2 CYS 10 HB2 CYS 10 -3.304 11.072 -14.666
83 HB3 CYS 10 HB3 CYS 10 -2.019 11.865 -15.618
84 H CYS 11 H CYS 11 -0.311 11.688 -11.405
85 HA CYS 11 HA CYS 11 -0.594 10.720 -9.381
86 HB2 CYS 11 HB2 CYS 11 -2.561 12.646 -9.629
87 HB3 CYS 11 HB3 CYS 11 -3.552 11.207 -9.255
88 HG CYS 11 HG CYS 11 -1.268 12.430 -7.584
89 H LEU 12 H LEU 12 -1.192 9.087 -11.972
90 HA LEU 12 HA LEU 12 -3.139 7.174 -10.984
91 HB2 LEU 12 HB2 LEU 12 -2.833 7.789 -13.379
92 HB3 LEU 12 HB3 LEU 12 -1.218 7.049 -13.349
93 HG LEU 12 HG LEU 12 -2.709 4.929 -12.449
94 HD11 LEU 12 HD11 LEU 12 -4.801 6.036 -14.346
95 HD12 LEU 12 HD12 LEU 12 -4.845 6.502 -12.630
96 HD13 LEU 12 HD13 LEU 12 -4.934 4.784 -13.094
97 HD21 LEU 12 HD21 LEU 12 -1.729 4.086 -14.280
98 HD22 LEU 12 HD22 LEU 12 -1.659 5.653 -15.088
99 HD23 LEU 12 HD23 LEU 12 -3.113 4.638 -15.248
100 H ASN 13 H ASN 13 -2.564 5.170 -10.041
101 HA ASN 13 HA ASN 13 0.147 4.830 -9.103
102 HB2 ASN 13 HB2 ASN 13 -1.389 3.994 -7.592
103 HB3 ASN 13 HB3 ASN 13 -2.452 3.270 -8.822
104 HD21 ASN 13 HD21 ASN 13 -1.781 1.256 -9.983
105 HD22 ASN 13 HD22 ASN 13 -0.698 0.210 -9.132
106 H ASN 14 H ASN 14 1.700 3.157 -9.717
107 HA ASN 14 HA ASN 14 0.944 1.458 -12.010
108 HB2 ASN 14 HB2 ASN 14 3.077 3.631 -12.027
109 HB3 ASN 14 HB3 ASN 14 3.212 2.218 -13.114
110 HD21 ASN 14 HD21 ASN 14 1.907 5.435 -13.009
111 HD22 ASN 14 HD22 ASN 14 0.739 5.184 -14.251
112 H PHE 15 H PHE 15 2.214 -0.422 -12.130
113 HA PHE 15 HA PHE 15 3.306 -1.308 -9.752
114 HB2 PHE 15 HB2 PHE 15 2.830 -2.562 -12.247
115 HB3 PHE 15 HB3 PHE 15 4.581 -2.646 -12.087
116 HD1 PHE 15 HD2 PHE 15 1.299 -3.271 -10.325
117 HD2 PHE 15 HD1 PHE 15 5.432 -4.391 -10.555
118 HE1 PHE 15 HE2 PHE 15 0.874 -5.242 -8.894
119 HE2 PHE 15 HE1 PHE 15 5.023 -6.323 -9.129
120 HZ PHE 15 HZ PHE 15 2.728 -6.780 -8.293
121 H ARG 16 H ARG 16 5.553 -1.741 -9.031
122 HA ARG 16 HA ARG 16 7.404 0.394 -9.822
123 HB2 ARG 16 HB2 ARG 16 7.467 -1.864 -7.822
124 HB3 ARG 16 HB3 ARG 16 9.025 -1.434 -8.542
125 HG2 ARG 16 HG2 ARG 16 8.565 0.964 -7.889
126 HG3 ARG 16 HG3 ARG 16 7.133 0.427 -6.979
127 HD2 ARG 16 HD2 ARG 16 8.379 -0.415 -5.243
128 HD3 ARG 16 HD3 ARG 16 9.610 -1.149 -6.335
129 HE ARG 16 HE ARG 16 10.035 1.641 -6.342
130 HH11 ARG 16 HH12 ARG 16 10.287 -1.182 -4.114
131 HH12 ARG 16 HH11 ARG 16 11.611 -0.438 -3.236
132 HH21 ARG 16 HH22 ARG 16 11.734 2.477 -5.177
133 HH22 ARG 16 HH21 ARG 16 12.418 1.587 -3.821
134 H LYS 17 H LYS 17 6.867 -2.751 -11.013
135 HA LYS 17 HA LYS 17 9.509 -3.040 -12.164
136 HB2 LYS 17 HB2 LYS 17 7.335 -4.749 -11.780
137 HB3 LYS 17 HB3 LYS 17 7.090 -4.328 -13.499
138 HG2 LYS 17 HG2 LYS 17 9.290 -5.270 -13.969
139 HG3 LYS 17 HG3 LYS 17 9.703 -5.401 -12.228
140 HD2 LYS 17 HD2 LYS 17 8.434 -7.266 -11.823
141 HD3 LYS 17 HD3 LYS 17 7.123 -6.798 -12.930
142 HE2 LYS 17 HE2 LYS 17 8.219 -8.805 -13.735
143 HE3 LYS 17 HE3 LYS 17 8.380 -7.458 -14.898
144 HZ1 LYS 17 HZ1 LYS 17 10.441 -8.884 -14.462
145 HZ2 LYS 17 HZ2 LYS 17 10.552 -8.113 -12.895
146 HZ3 LYS 17 HZ3 LYS 17 10.691 -7.171 -14.366
147 H ARG 18 H ARG 18 6.647 -1.083 -12.914
148 HA ARG 18 HA ARG 18 7.097 -1.060 -15.723
149 HB2 ARG 18 HB2 ARG 18 5.144 0.254 -13.920
150 HB3 ARG 18 HB3 ARG 18 6.068 1.496 -14.746
151 HG2 ARG 18 HG2 ARG 18 5.408 -0.081 -16.917
152 HG3 ARG 18 HG3 ARG 18 4.199 -0.697 -15.765
153 HD2 ARG 18 HD2 ARG 18 4.277 2.280 -15.832
154 HD3 ARG 18 HD3 ARG 18 4.032 1.633 -17.456
155 HE ARG 18 HE ARG 18 2.168 1.839 -15.307
156 HH11 ARG 18 HH12 ARG 18 3.061 -0.427 -17.941
157 HH12 ARG 18 HH11 ARG 18 1.427 -1.063 -18.029
158 HH21 ARG 18 HH22 ARG 18 0.141 0.991 -15.482
159 HH22 ARG 18 HH21 ARG 18 -0.207 -0.273 -16.664
160 H LEU 19 H LEU 19 7.492 1.168 -16.745
161 HA LEU 19 HA LEU 19 9.989 2.371 -15.576
162 HB2 LEU 19 HB2 LEU 19 10.458 3.069 -17.988
163 HB3 LEU 19 HB3 LEU 19 10.891 1.429 -17.491
164 HG LEU 19 HG LEU 19 8.152 1.648 -18.783
165 HD11 LEU 19 HD11 LEU 19 8.868 2.944 -20.402
166 HD12 LEU 19 HD12 LEU 19 9.400 1.405 -21.082
167 HD13 LEU 19 HD13 LEU 19 10.593 2.478 -20.298
168 HD21 LEU 19 HD21 LEU 19 10.268 -0.340 -19.547
169 HD22 LEU 19 HD22 LEU 19 8.491 -0.516 -19.418
170 HD23 LEU 19 HD23 LEU 19 9.492 -0.506 -17.941
171 H LYS 20 H LYS 20 6.996 3.214 -17.676
172 HA LYS 20 HA LYS 20 7.253 5.867 -16.444
173 HB2 LYS 20 HB2 LYS 20 6.787 5.155 -19.411
174 HB3 LYS 20 HB3 LYS 20 6.676 6.818 -18.802
175 HG2 LYS 20 HG2 LYS 20 8.967 7.146 -18.648
176 HG3 LYS 20 HG3 LYS 20 9.265 5.430 -18.284
177 HD2 LYS 20 HD2 LYS 20 8.560 5.088 -20.855
178 HD3 LYS 20 HD3 LYS 20 8.898 6.799 -21.014
179 HE2 LYS 20 HE2 LYS 20 10.940 4.865 -19.698
180 HE3 LYS 20 HE3 LYS 20 10.793 4.978 -21.451
181 HZ1 LYS 20 HZ1 LYS 20 12.021 6.844 -21.463
182 HZ2 LYS 20 HZ2 LYS 20 12.286 6.641 -19.740
183 HZ3 LYS 20 HZ3 LYS 20 11.008 7.643 -20.278
184 H CYS 21 H CYS 21 5.234 7.166 -16.913
185 HA CYS 21 HA CYS 21 3.146 5.485 -15.943
186 HB2 CYS 21 HB2 CYS 21 3.528 7.963 -15.422
187 HB3 CYS 21 HB3 CYS 21 2.923 8.343 -17.071
188 H PHE 22 H PHE 22 1.427 4.422 -16.991
189 HA PHE 22 HA PHE 22 1.584 4.451 -19.952
190 HB2 PHE 22 HB2 PHE 22 1.416 2.395 -18.255
191 HB3 PHE 22 HB3 PHE 22 -0.328 2.760 -18.269
192 HD1 PHE 22 HD1 PHE 22 2.689 2.340 -20.515
193 HD2 PHE 22 HD2 PHE 22 -1.529 1.591 -20.060
194 HE1 PHE 22 HE1 PHE 22 2.680 1.095 -22.645
195 HE2 PHE 22 HE2 PHE 22 -1.506 0.265 -22.146
196 HZ PHE 22 HZ PHE 22 0.589 0.028 -23.453
197 H ARG 23 H ARG 23 0.143 6.522 -17.823
198 HA ARG 23 HA ARG 23 -2.413 6.659 -19.351
199 HB2 ARG 23 HB2 ARG 23 -2.728 6.324 -17.053
200 HB3 ARG 23 HB3 ARG 23 -1.611 7.619 -16.535
201 HG2 ARG 23 HG2 ARG 23 -3.088 9.350 -17.031
202 HG3 ARG 23 HG3 ARG 23 -3.766 8.493 -18.421
203 HD2 ARG 23 HD2 ARG 23 -5.589 8.437 -17.167
204 HD3 ARG 23 HD3 ARG 23 -4.908 6.884 -16.604
205 HE ARG 23 HE ARG 23 -3.955 8.926 -14.888
206 HH11 ARG 23 HH12 ARG 23 -7.131 7.527 -15.774
207 HH12 ARG 23 HH11 ARG 23 -7.873 8.077 -14.281
208 HH21 ARG 23 HH22 ARG 23 -4.968 9.546 -12.974
209 HH22 ARG 23 HH21 ARG 23 -6.671 9.170 -12.715
210 H CYS 24 H CYS 24 0.146 8.854 -17.827
211 HA CYS 24 HA CYS 24 -0.551 10.804 -19.978
212 HB2 CYS 24 HB2 CYS 24 0.447 12.468 -18.561
213 HB3 CYS 24 HB3 CYS 24 -0.593 11.433 -17.524
214 H GLY 25 H GLY 25 1.938 8.288 -19.316
215 HA2 GLY 25 HA2 GLY 25 3.643 7.846 -20.859
216 HA3 GLY 25 HA3 GLY 25 3.509 9.474 -21.527
217 H ALA 26 H ALA 26 3.625 10.831 -18.841
218 HA ALA 26 HA ALA 26 6.328 11.295 -18.821
219 HB1 ALA 26 HB1 ALA 26 4.770 11.647 -16.215
220 HB2 ALA 26 HB2 ALA 26 6.031 12.690 -16.939
221 HB3 ALA 26 HB3 ALA 26 4.390 12.677 -17.628
222 H ASP 27 H ASP 27 8.093 10.765 -17.266
223 HA ASP 27 HA ASP 27 7.870 7.967 -16.583
224 HB2 ASP 27 HB2 ASP 27 9.961 9.171 -17.566
225 HB3 ASP 27 HB3 ASP 27 10.253 9.655 -15.871
226 H LYS 28 H LYS 28 8.328 7.109 -14.349
227 HA LYS 28 HA LYS 28 6.922 8.584 -12.311
228 HB2 LYS 28 HB2 LYS 28 7.727 6.871 -10.761
229 HB3 LYS 28 HB3 LYS 28 7.171 6.165 -12.294
230 HG2 LYS 28 HG2 LYS 28 9.095 5.008 -12.519
231 HG3 LYS 28 HG3 LYS 28 9.963 6.540 -12.723
232 HD2 LYS 28 HD2 LYS 28 11.069 5.366 -11.002
233 HD3 LYS 28 HD3 LYS 28 10.244 6.766 -10.286
234 HE2 LYS 28 HE2 LYS 28 8.937 5.475 -8.910
235 HE3 LYS 28 HE3 LYS 28 8.471 4.415 -10.266
236 HZ1 LYS 28 HZ1 LYS 28 10.662 3.246 -10.036
237 HZ2 LYS 28 HZ2 LYS 28 9.562 3.084 -8.707
238 HZ3 LYS 28 HZ3 LYS 28 10.933 4.185 -8.566
239 H PHE 29 H PHE 29 10.283 8.817 -13.488
240 HA PHE 29 HA PHE 29 10.889 10.551 -11.101
241 HB2 PHE 29 HB2 PHE 29 12.256 8.244 -12.211
242 HB3 PHE 29 HB3 PHE 29 13.207 9.648 -12.704
243 HD1 PHE 29 HD1 PHE 29 11.191 8.693 -9.621
244 HD2 PHE 29 HD2 PHE 29 14.993 10.020 -11.125
245 HE1 PHE 29 HE1 PHE 29 12.173 8.357 -7.393
246 HE2 PHE 29 HE2 PHE 29 15.921 9.882 -8.842
247 HZ PHE 29 HZ PHE 29 14.535 9.012 -6.975
248 H ASP 30 H ASP 30 9.309 11.282 -13.660
249 HA ASP 30 HA ASP 30 11.007 13.629 -14.115
250 HB2 ASP 30 HB2 ASP 30 11.565 11.561 -15.772
251 HB3 ASP 30 HB3 ASP 30 10.143 12.189 -16.655
252 HN1 NH2 31 HN1 NH2 31 9.433 15.359 -14.038
253 HN2 NH2 31 HN2 NH2 31 7.796 15.131 -14.544
Start of MODEL 18
1 H1 ACE 0 H1 ACE 0 -3.626 -5.009 -3.177
2 H2 ACE 0 H2 ACE 0 -2.837 -4.603 -1.616
3 H3 ACE 0 H3 ACE 0 -3.045 -6.316 -2.099
4 H LYS 1 H LYS 1 -1.646 -3.243 -3.545
5 HA LYS 1 HA LYS 1 0.476 -4.981 -4.740
6 HB2 LYS 1 HB2 LYS 1 -1.156 -3.303 -6.039
7 HB3 LYS 1 HB3 LYS 1 0.019 -2.093 -5.487
8 HG2 LYS 1 HG2 LYS 1 1.851 -3.679 -6.447
9 HG3 LYS 1 HG3 LYS 1 0.533 -4.629 -7.195
10 HD2 LYS 1 HD2 LYS 1 0.737 -1.620 -7.636
11 HD3 LYS 1 HD3 LYS 1 1.763 -2.739 -8.571
12 HE2 LYS 1 HE2 LYS 1 -0.357 -3.824 -9.446
13 HE3 LYS 1 HE3 LYS 1 -1.303 -2.681 -8.459
14 HZ1 LYS 1 HZ1 LYS 1 0.260 -0.912 -9.832
15 HZ2 LYS 1 HZ2 LYS 1 -1.280 -1.482 -10.392
16 HZ3 LYS 1 HZ3 LYS 1 0.180 -2.191 -10.994
17 H PHE 2 H PHE 2 2.060 -5.120 -2.987
18 HA PHE 2 HA PHE 2 2.670 -2.587 -1.557
19 HB2 PHE 2 HB2 PHE 2 2.355 -4.872 -0.436
20 HB3 PHE 2 HB3 PHE 2 3.867 -5.393 -1.220
21 HD1 PHE 2 HD1 PHE 2 2.489 -2.470 0.798
22 HD2 PHE 2 HD2 PHE 2 5.802 -5.160 0.199
23 HE1 PHE 2 HE1 PHE 2 3.700 -1.396 2.653
24 HE2 PHE 2 HE2 PHE 2 6.948 -4.163 2.143
25 HZ PHE 2 HZ PHE 2 5.914 -2.266 3.366
26 H GLU 3 H GLU 3 3.274 -2.131 -4.207
27 HA GLU 3 HA GLU 3 5.980 -1.537 -4.091
28 HB2 GLU 3 HB2 GLU 3 5.617 -4.354 -4.737
29 HB3 GLU 3 HB3 GLU 3 6.022 -3.594 -6.255
30 HG2 GLU 3 HG2 GLU 3 7.989 -2.448 -4.632
31 HG3 GLU 3 HG3 GLU 3 7.723 -3.994 -3.810
32 H ASP 4 H ASP 4 4.673 0.408 -4.749
33 HA ASP 4 HA ASP 4 4.625 0.599 -7.688
34 HB2 ASP 4 HB2 ASP 4 2.162 1.434 -7.565
35 HB3 ASP 4 HB3 ASP 4 2.470 -0.290 -7.286
36 H TRP 5 H TRP 5 3.816 2.933 -8.297
37 HA TRP 5 HA TRP 5 4.631 4.851 -6.176
38 HB2 TRP 5 HB2 TRP 5 6.157 5.969 -7.919
39 HB3 TRP 5 HB3 TRP 5 6.713 4.368 -7.354
40 HD1 TRP 5 HD1 TRP 5 6.827 2.503 -9.037
41 HE1 TRP 5 HE1 TRP 5 6.565 2.248 -11.591
42 HE3 TRP 5 HE3 TRP 5 4.628 6.992 -9.997
43 HZ2 TRP 5 HZ2 TRP 5 5.759 3.870 -13.744
44 HZ3 TRP 5 HZ3 TRP 5 4.030 7.508 -12.411
45 HH2 TRP 5 HH2 TRP 5 4.749 6.065 -14.189
46 H LEU 6 H LEU 6 4.156 7.164 -6.917
47 HA LEU 6 HA LEU 6 1.584 7.063 -8.435
48 HB2 LEU 6 HB2 LEU 6 2.545 9.185 -6.469
49 HB3 LEU 6 HB3 LEU 6 0.983 9.078 -7.308
50 HG LEU 6 HG LEU 6 1.163 6.545 -6.014
51 HD11 LEU 6 HD11 LEU 6 3.126 7.173 -4.673
52 HD12 LEU 6 HD12 LEU 6 1.702 7.111 -3.607
53 HD13 LEU 6 HD13 LEU 6 2.341 8.690 -4.136
54 HD21 LEU 6 HD21 LEU 6 -0.879 7.829 -6.164
55 HD22 LEU 6 HD22 LEU 6 -0.218 9.138 -5.131
56 HD23 LEU 6 HD23 LEU 6 -0.562 7.525 -4.436
57 H CYS 7 H CYS 7 1.500 8.317 -10.376
58 HA CYS 7 HA CYS 7 3.994 9.403 -11.285
59 HB2 CYS 7 HB2 CYS 7 1.991 8.518 -12.753
60 HB3 CYS 7 HB3 CYS 7 1.158 10.021 -12.307
61 H ASN 8 H ASN 8 4.555 11.598 -11.889
62 HA ASN 8 HA ASN 8 3.561 13.476 -9.786
63 HB2 ASN 8 HB2 ASN 8 6.185 12.805 -10.765
64 HB3 ASN 8 HB3 ASN 8 5.858 14.423 -11.385
65 HD21 ASN 8 HD21 ASN 8 6.198 16.134 -9.762
66 HD22 ASN 8 HD22 ASN 8 6.379 15.764 -8.081
67 H LYS 9 H LYS 9 2.106 12.738 -12.400
68 HA LYS 9 HA LYS 9 1.764 15.547 -13.342
69 HB2 LYS 9 HB2 LYS 9 3.206 13.508 -14.680
70 HB3 LYS 9 HB3 LYS 9 1.620 13.402 -15.456
71 HG2 LYS 9 HG2 LYS 9 3.222 16.042 -15.166
72 HG3 LYS 9 HG3 LYS 9 3.397 14.892 -16.505
73 HD2 LYS 9 HD2 LYS 9 0.722 15.164 -16.714
74 HD3 LYS 9 HD3 LYS 9 1.015 16.702 -15.858
75 HE2 LYS 9 HE2 LYS 9 2.684 17.325 -17.666
76 HE3 LYS 9 HE3 LYS 9 2.400 15.743 -18.448
77 HZ1 LYS 9 HZ1 LYS 9 1.061 17.126 -19.676
78 HZ2 LYS 9 HZ2 LYS 9 0.560 18.092 -18.307
79 HZ3 LYS 9 HZ3 LYS 9 -0.087 16.482 -18.550
80 H CYS 10 H CYS 10 0.417 12.152 -13.768
81 HA CYS 10 HA CYS 10 -2.294 13.396 -13.491
82 HB2 CYS 10 HB2 CYS 10 -3.066 11.284 -14.392
83 HB3 CYS 10 HB3 CYS 10 -1.843 11.990 -15.507
84 H CYS 11 H CYS 11 0.053 11.939 -11.337
85 HA CYS 11 HA CYS 11 -0.217 11.037 -9.272
86 HB2 CYS 11 HB2 CYS 11 -2.140 13.008 -9.538
87 HB3 CYS 11 HB3 CYS 11 -3.147 11.620 -9.039
88 HG CYS 11 HG CYS 11 -2.067 11.619 -6.882
89 H LEU 12 H LEU 12 -0.987 9.379 -11.821
90 HA LEU 12 HA LEU 12 -2.995 7.566 -10.767
91 HB2 LEU 12 HB2 LEU 12 -2.723 8.108 -13.243
92 HB3 LEU 12 HB3 LEU 12 -1.132 7.324 -13.164
93 HG LEU 12 HG LEU 12 -2.518 5.245 -12.208
94 HD11 LEU 12 HD11 LEU 12 -4.773 5.469 -12.076
95 HD12 LEU 12 HD12 LEU 12 -4.865 5.578 -13.840
96 HD13 LEU 12 HD13 LEU 12 -4.721 7.055 -12.861
97 HD21 LEU 12 HD21 LEU 12 -1.299 5.517 -14.557
98 HD22 LEU 12 HD22 LEU 12 -2.995 5.358 -15.120
99 HD23 LEU 12 HD23 LEU 12 -2.279 4.113 -14.099
100 H ASN 13 H ASN 13 -2.476 5.455 -9.908
101 HA ASN 13 HA ASN 13 0.206 5.203 -8.867
102 HB2 ASN 13 HB2 ASN 13 -2.307 4.142 -8.107
103 HB3 ASN 13 HB3 ASN 13 -1.431 2.724 -8.710
104 HD21 ASN 13 HD21 ASN 13 -2.208 3.873 -5.821
105 HD22 ASN 13 HD22 ASN 13 -0.698 3.714 -5.004
106 H ASN 14 H ASN 14 1.775 3.439 -9.428
107 HA ASN 14 HA ASN 14 1.000 1.714 -11.679
108 HB2 ASN 14 HB2 ASN 14 3.110 3.901 -11.807
109 HB3 ASN 14 HB3 ASN 14 3.314 2.440 -12.820
110 HD21 ASN 14 HD21 ASN 14 1.025 1.838 -14.069
111 HD22 ASN 14 HD22 ASN 14 0.332 3.221 -14.828
112 H PHE 15 H PHE 15 2.364 -0.103 -12.002
113 HA PHE 15 HA PHE 15 3.233 -1.134 -9.556
114 HB2 PHE 15 HB2 PHE 15 2.832 -2.278 -12.095
115 HB3 PHE 15 HB3 PHE 15 4.570 -2.435 -11.910
116 HD1 PHE 15 HD2 PHE 15 5.269 -3.530 -9.427
117 HD2 PHE 15 HD1 PHE 15 1.526 -4.106 -11.464
118 HE1 PHE 15 HE2 PHE 15 4.790 -5.408 -7.980
119 HE2 PHE 15 HE1 PHE 15 1.026 -5.974 -9.958
120 HZ PHE 15 HZ PHE 15 2.651 -6.653 -8.210
121 H ARG 16 H ARG 16 5.370 -1.447 -8.584
122 HA ARG 16 HA ARG 16 7.343 0.419 -9.282
123 HB2 ARG 16 HB2 ARG 16 7.286 -2.018 -7.493
124 HB3 ARG 16 HB3 ARG 16 8.888 -1.595 -8.083
125 HG2 ARG 16 HG2 ARG 16 7.057 0.519 -6.851
126 HG3 ARG 16 HG3 ARG 16 8.121 -0.461 -5.842
127 HD2 ARG 16 HD2 ARG 16 9.340 0.767 -8.293
128 HD3 ARG 16 HD3 ARG 16 8.904 1.921 -7.001
129 HE ARG 16 HE ARG 16 10.351 0.009 -5.642
130 HH11 ARG 16 HH12 ARG 16 11.091 1.952 -8.576
131 HH12 ARG 16 HH11 ARG 16 12.774 2.105 -8.140
132 HH21 ARG 16 HH22 ARG 16 12.541 0.224 -5.211
133 HH22 ARG 16 HH21 ARG 16 13.586 1.117 -6.311
134 H LYS 17 H LYS 17 6.772 -2.625 -10.783
135 HA LYS 17 HA LYS 17 9.423 -2.816 -11.905
136 HB2 LYS 17 HB2 LYS 17 7.118 -4.548 -11.810
137 HB3 LYS 17 HB3 LYS 17 7.171 -4.008 -13.501
138 HG2 LYS 17 HG2 LYS 17 9.752 -4.735 -13.315
139 HG3 LYS 17 HG3 LYS 17 9.221 -5.474 -11.770
140 HD2 LYS 17 HD2 LYS 17 7.289 -6.547 -13.358
141 HD3 LYS 17 HD3 LYS 17 8.416 -6.076 -14.655
142 HE2 LYS 17 HE2 LYS 17 10.121 -7.422 -12.828
143 HE3 LYS 17 HE3 LYS 17 8.570 -8.278 -12.612
144 HZ1 LYS 17 HZ1 LYS 17 8.549 -8.500 -15.165
145 HZ2 LYS 17 HZ2 LYS 17 9.795 -9.385 -14.314
146 HZ3 LYS 17 HZ3 LYS 17 10.198 -7.888 -15.121
147 H ARG 18 H ARG 18 6.517 -0.915 -12.633
148 HA ARG 18 HA ARG 18 6.789 -0.841 -15.424
149 HB2 ARG 18 HB2 ARG 18 5.012 0.453 -13.550
150 HB3 ARG 18 HB3 ARG 18 6.010 1.740 -14.192
151 HG2 ARG 18 HG2 ARG 18 4.279 1.808 -15.717
152 HG3 ARG 18 HG3 ARG 18 5.217 0.563 -16.560
153 HD2 ARG 18 HD2 ARG 18 3.777 -1.134 -14.966
154 HD3 ARG 18 HD3 ARG 18 2.832 0.312 -14.651
155 HE ARG 18 HE ARG 18 1.844 0.206 -16.697
156 HH11 ARG 18 HH12 ARG 18 4.827 -1.820 -16.805
157 HH12 ARG 18 HH11 ARG 18 4.420 -2.444 -18.389
158 HH21 ARG 18 HH22 ARG 18 1.431 -0.656 -18.724
159 HH22 ARG 18 HH21 ARG 18 2.553 -1.792 -19.464
160 H LEU 19 H LEU 19 7.605 1.011 -16.741
161 HA LEU 19 HA LEU 19 10.004 2.382 -15.520
162 HB2 LEU 19 HB2 LEU 19 9.106 1.729 -18.385
163 HB3 LEU 19 HB3 LEU 19 10.440 2.827 -18.040
164 HG LEU 19 HG LEU 19 10.774 0.343 -16.449
165 HD11 LEU 19 HD11 LEU 19 9.678 -0.996 -18.024
166 HD12 LEU 19 HD12 LEU 19 11.388 -1.104 -18.531
167 HD13 LEU 19 HD13 LEU 19 10.260 -0.055 -19.432
168 HD21 LEU 19 HD21 LEU 19 12.648 1.147 -18.694
169 HD22 LEU 19 HD22 LEU 19 13.003 0.478 -17.074
170 HD23 LEU 19 HD23 LEU 19 12.536 2.185 -17.240
171 H LYS 20 H LYS 20 6.749 3.086 -17.108
172 HA LYS 20 HA LYS 20 7.158 5.786 -16.201
173 HB2 LYS 20 HB2 LYS 20 6.770 6.767 -18.576
174 HB3 LYS 20 HB3 LYS 20 8.354 5.943 -18.401
175 HG2 LYS 20 HG2 LYS 20 7.286 3.868 -19.364
176 HG3 LYS 20 HG3 LYS 20 5.795 4.796 -19.662
177 HD2 LYS 20 HD2 LYS 20 6.622 5.614 -21.604
178 HD3 LYS 20 HD3 LYS 20 8.060 6.295 -20.812
179 HE2 LYS 20 HE2 LYS 20 9.341 4.274 -21.089
180 HE3 LYS 20 HE3 LYS 20 7.901 3.300 -21.510
181 HZ1 LYS 20 HZ1 LYS 20 9.101 3.718 -23.490
182 HZ2 LYS 20 HZ2 LYS 20 9.105 5.452 -23.220
183 HZ3 LYS 20 HZ3 LYS 20 7.605 4.600 -23.558
184 H CYS 21 H CYS 21 5.203 7.125 -16.625
185 HA CYS 21 HA CYS 21 3.098 5.514 -15.654
186 HB2 CYS 21 HB2 CYS 21 3.449 7.994 -15.217
187 HB3 CYS 21 HB3 CYS 21 2.871 8.318 -16.892
188 H PHE 22 H PHE 22 1.478 4.354 -16.724
189 HA PHE 22 HA PHE 22 1.718 4.207 -19.640
190 HB2 PHE 22 HB2 PHE 22 1.249 2.305 -17.835
191 HB3 PHE 22 HB3 PHE 22 -0.442 2.848 -17.951
192 HD1 PHE 22 HD1 PHE 22 2.589 1.750 -19.897
193 HD2 PHE 22 HD2 PHE 22 -1.710 2.001 -19.895
194 HE1 PHE 22 HE1 PHE 22 2.502 0.297 -21.895
195 HE2 PHE 22 HE2 PHE 22 -1.789 0.541 -21.890
196 HZ PHE 22 HZ PHE 22 0.313 -0.313 -22.895
197 H ARG 23 H ARG 23 0.074 6.398 -17.562
198 HA ARG 23 HA ARG 23 -2.376 6.492 -19.180
199 HB2 ARG 23 HB2 ARG 23 -2.124 6.712 -16.592
200 HB3 ARG 23 HB3 ARG 23 -1.622 8.363 -16.855
201 HG2 ARG 23 HG2 ARG 23 -3.798 8.450 -18.404
202 HG3 ARG 23 HG3 ARG 23 -4.299 7.038 -17.453
203 HD2 ARG 23 HD2 ARG 23 -3.327 9.226 -15.665
204 HD3 ARG 23 HD3 ARG 23 -4.498 9.837 -16.865
205 HE ARG 23 HE ARG 23 -5.345 7.416 -15.422
206 HH11 ARG 23 HH12 ARG 23 -5.155 11.014 -15.135
207 HH12 ARG 23 HH11 ARG 23 -6.320 11.030 -13.833
208 HH21 ARG 23 HH22 ARG 23 -6.892 7.588 -13.807
209 HH22 ARG 23 HH21 ARG 23 -7.295 9.155 -13.117
210 H CYS 24 H CYS 24 0.178 8.880 -17.982
211 HA CYS 24 HA CYS 24 -0.572 10.648 -20.234
212 HB2 CYS 24 HB2 CYS 24 0.903 12.295 -19.075
213 HB3 CYS 24 HB3 CYS 24 -0.444 11.707 -18.052
214 H GLY 25 H GLY 25 1.874 8.118 -19.381
215 HA2 GLY 25 HA2 GLY 25 3.376 7.320 -20.977
216 HA3 GLY 25 HA3 GLY 25 3.244 8.823 -21.901
217 H ALA 26 H ALA 26 3.519 10.188 -18.915
218 HA ALA 26 HA ALA 26 6.262 10.756 -19.516
219 HB1 ALA 26 HB1 ALA 26 4.360 12.361 -18.495
220 HB2 ALA 26 HB2 ALA 26 4.947 11.697 -16.944
221 HB3 ALA 26 HB3 ALA 26 6.072 12.558 -18.049
222 H ASP 27 H ASP 27 8.083 10.477 -17.970
223 HA ASP 27 HA ASP 27 7.896 7.865 -16.786
224 HB2 ASP 27 HB2 ASP 27 9.973 9.044 -17.921
225 HB3 ASP 27 HB3 ASP 27 10.289 9.626 -16.266
226 H LYS 28 H LYS 28 8.274 7.323 -14.491
227 HA LYS 28 HA LYS 28 6.812 8.955 -12.659
228 HB2 LYS 28 HB2 LYS 28 7.934 7.613 -10.869
229 HB3 LYS 28 HB3 LYS 28 7.210 6.603 -12.137
230 HG2 LYS 28 HG2 LYS 28 9.173 5.676 -12.817
231 HG3 LYS 28 HG3 LYS 28 10.046 7.220 -12.773
232 HD2 LYS 28 HD2 LYS 28 11.110 5.831 -11.246
233 HD3 LYS 28 HD3 LYS 28 10.275 7.095 -10.303
234 HE2 LYS 28 HE2 LYS 28 8.545 5.538 -9.572
235 HE3 LYS 28 HE3 LYS 28 9.011 4.311 -10.789
236 HZ1 LYS 28 HZ1 LYS 28 11.043 3.909 -9.781
237 HZ2 LYS 28 HZ2 LYS 28 9.840 3.964 -8.433
238 HZ3 LYS 28 HZ3 LYS 28 10.971 5.265 -8.692
239 H PHE 29 H PHE 29 10.155 9.280 -13.868
240 HA PHE 29 HA PHE 29 10.784 11.129 -11.608
241 HB2 PHE 29 HB2 PHE 29 12.327 9.181 -13.157
242 HB3 PHE 29 HB3 PHE 29 12.983 10.776 -13.502
243 HD1 PHE 29 HD1 PHE 29 13.272 12.359 -11.367
244 HD2 PHE 29 HD2 PHE 29 13.059 8.061 -11.202
245 HE1 PHE 29 HE1 PHE 29 14.502 12.373 -9.217
246 HE2 PHE 29 HE2 PHE 29 14.317 8.082 -9.080
247 HZ PHE 29 HZ PHE 29 15.040 10.234 -8.078
248 H ASP 30 H ASP 30 8.755 11.663 -13.994
249 HA ASP 30 HA ASP 30 10.016 14.258 -14.584
250 HB2 ASP 30 HB2 ASP 30 10.810 12.582 -16.348
251 HB3 ASP 30 HB3 ASP 30 9.132 12.416 -16.894
252 HN1 NH2 31 HN1 NH2 31 7.101 12.330 -15.794
253 HN2 NH2 31 HN2 NH2 31 6.017 13.592 -15.329
Start of MODEL 19
1 H1 ACE 0 H1 ACE 0 -2.231 -0.532 -5.815
2 H2 ACE 0 H2 ACE 0 -1.329 0.683 -4.848
3 H3 ACE 0 H3 ACE 0 -2.990 0.212 -4.374
4 H LYS 1 H LYS 1 0.226 -1.464 -5.101
5 HA LYS 1 HA LYS 1 -0.399 -3.192 -2.745
6 HB2 LYS 1 HB2 LYS 1 -0.185 -4.023 -5.376
7 HB3 LYS 1 HB3 LYS 1 1.532 -4.014 -4.947
8 HG2 LYS 1 HG2 LYS 1 0.187 -5.351 -2.753
9 HG3 LYS 1 HG3 LYS 1 -0.676 -5.900 -4.188
10 HD2 LYS 1 HD2 LYS 1 1.222 -6.968 -5.105
11 HD3 LYS 1 HD3 LYS 1 2.396 -6.050 -4.152
12 HE2 LYS 1 HE2 LYS 1 0.549 -7.567 -2.361
13 HE3 LYS 1 HE3 LYS 1 1.379 -8.626 -3.507
14 HZ1 LYS 1 HZ1 LYS 1 3.480 -8.068 -2.688
15 HZ2 LYS 1 HZ2 LYS 1 2.500 -8.106 -1.243
16 HZ3 LYS 1 HZ3 LYS 1 2.960 -6.600 -1.920
17 H PHE 2 H PHE 2 2.208 -4.321 -2.472
18 HA PHE 2 HA PHE 2 3.570 -1.984 -1.317
19 HB2 PHE 2 HB2 PHE 2 3.036 -4.405 -0.252
20 HB3 PHE 2 HB3 PHE 2 4.501 -4.901 -1.124
21 HD1 PHE 2 HD2 PHE 2 3.068 -2.272 1.149
22 HD2 PHE 2 HD1 PHE 2 6.601 -4.483 0.061
23 HE1 PHE 2 HE2 PHE 2 4.279 -1.274 3.056
24 HE2 PHE 2 HE1 PHE 2 7.788 -3.523 2.006
25 HZ PHE 2 HZ PHE 2 6.638 -1.908 3.497
26 H GLU 3 H GLU 3 3.576 -2.080 -4.327
27 HA GLU 3 HA GLU 3 6.409 -1.922 -4.668
28 HB2 GLU 3 HB2 GLU 3 6.152 -4.440 -4.632
29 HB3 GLU 3 HB3 GLU 3 4.972 -4.345 -5.958
30 HG2 GLU 3 HG2 GLU 3 6.662 -4.003 -7.541
31 HG3 GLU 3 HG3 GLU 3 7.626 -2.978 -6.403
32 H ASP 4 H ASP 4 4.920 0.149 -5.092
33 HA ASP 4 HA ASP 4 4.601 0.354 -8.025
34 HB2 ASP 4 HB2 ASP 4 2.334 0.912 -6.094
35 HB3 ASP 4 HB3 ASP 4 2.197 0.868 -7.885
36 H TRP 5 H TRP 5 3.536 2.783 -8.410
37 HA TRP 5 HA TRP 5 4.347 4.596 -6.229
38 HB2 TRP 5 HB2 TRP 5 5.937 5.846 -7.841
39 HB3 TRP 5 HB3 TRP 5 6.513 4.244 -7.306
40 HD1 TRP 5 HD1 TRP 5 6.608 2.382 -9.020
41 HE1 TRP 5 HE1 TRP 5 6.529 2.244 -11.613
42 HE3 TRP 5 HE3 TRP 5 4.650 7.001 -9.977
43 HZ2 TRP 5 HZ2 TRP 5 5.894 3.888 -13.721
44 HZ3 TRP 5 HZ3 TRP 5 4.380 7.675 -12.400
45 HH2 TRP 5 HH2 TRP 5 5.169 6.240 -14.170
46 H LEU 6 H LEU 6 3.928 6.972 -6.951
47 HA LEU 6 HA LEU 6 1.462 6.882 -8.619
48 HB2 LEU 6 HB2 LEU 6 2.028 8.934 -6.441
49 HB3 LEU 6 HB3 LEU 6 0.590 8.729 -7.468
50 HG LEU 6 HG LEU 6 0.588 6.237 -6.423
51 HD11 LEU 6 HD11 LEU 6 2.786 7.217 -4.935
52 HD12 LEU 6 HD12 LEU 6 1.748 5.846 -4.486
53 HD13 LEU 6 HD13 LEU 6 1.429 7.475 -3.828
54 HD21 LEU 6 HD21 LEU 6 -0.479 8.805 -5.153
55 HD22 LEU 6 HD22 LEU 6 -0.915 7.180 -4.533
56 HD23 LEU 6 HD23 LEU 6 -1.326 7.633 -6.210
57 H CYS 7 H CYS 7 1.354 8.240 -10.422
58 HA CYS 7 HA CYS 7 3.859 9.469 -11.120
59 HB2 CYS 7 HB2 CYS 7 2.175 8.485 -12.767
60 HB3 CYS 7 HB3 CYS 7 1.059 9.814 -12.346
61 H ASN 8 H ASN 8 4.301 11.730 -11.482
62 HA ASN 8 HA ASN 8 2.844 13.489 -9.538
63 HB2 ASN 8 HB2 ASN 8 4.918 14.950 -9.816
64 HB3 ASN 8 HB3 ASN 8 5.157 13.357 -9.053
65 HD21 ASN 8 HD21 ASN 8 7.485 13.313 -9.681
66 HD22 ASN 8 HD22 ASN 8 7.889 13.000 -11.333
67 H LYS 9 H LYS 9 1.747 12.734 -12.237
68 HA LYS 9 HA LYS 9 1.403 15.526 -13.182
69 HB2 LYS 9 HB2 LYS 9 3.206 13.869 -14.363
70 HB3 LYS 9 HB3 LYS 9 1.791 13.294 -15.251
71 HG2 LYS 9 HG2 LYS 9 2.612 16.279 -15.077
72 HG3 LYS 9 HG3 LYS 9 3.234 15.129 -16.271
73 HD2 LYS 9 HD2 LYS 9 0.536 14.710 -16.681
74 HD3 LYS 9 HD3 LYS 9 0.490 16.396 -16.100
75 HE2 LYS 9 HE2 LYS 9 2.298 16.939 -17.854
76 HE3 LYS 9 HE3 LYS 9 2.172 15.244 -18.421
77 HZ1 LYS 9 HZ1 LYS 9 -0.260 15.670 -18.854
78 HZ2 LYS 9 HZ2 LYS 9 0.854 16.569 -19.852
79 HZ3 LYS 9 HZ3 LYS 9 0.044 17.369 -18.521
80 H CYS 10 H CYS 10 0.281 12.102 -13.896
81 HA CYS 10 HA CYS 10 -2.503 13.206 -13.944
82 HB2 CYS 10 HB2 CYS 10 -3.117 10.972 -14.861
83 HB3 CYS 10 HB3 CYS 10 -1.895 11.824 -15.846
84 H CYS 11 H CYS 11 -0.342 11.914 -11.531
85 HA CYS 11 HA CYS 11 -0.806 11.138 -9.455
86 HB2 CYS 11 HB2 CYS 11 -3.743 11.855 -9.952
87 HB3 CYS 11 HB3 CYS 11 -2.861 11.743 -8.410
88 HG CYS 11 HG CYS 11 -2.202 13.818 -10.617
89 H LEU 12 H LEU 12 -1.145 9.318 -12.006
90 HA LEU 12 HA LEU 12 -3.119 7.463 -10.965
91 HB2 LEU 12 HB2 LEU 12 -2.999 8.062 -13.312
92 HB3 LEU 12 HB3 LEU 12 -1.385 7.323 -13.479
93 HG LEU 12 HG LEU 12 -3.364 5.992 -14.321
94 HD11 LEU 12 HD11 LEU 12 -2.491 3.909 -12.564
95 HD12 LEU 12 HD12 LEU 12 -1.086 4.963 -12.824
96 HD13 LEU 12 HD13 LEU 12 -1.922 4.245 -14.214
97 HD21 LEU 12 HD21 LEU 12 -4.964 6.560 -12.514
98 HD22 LEU 12 HD22 LEU 12 -4.186 5.323 -11.486
99 HD23 LEU 12 HD23 LEU 12 -4.918 4.849 -13.031
100 H ASN 13 H ASN 13 -2.548 5.533 -9.917
101 HA ASN 13 HA ASN 13 0.162 5.146 -8.996
102 HB2 ASN 13 HB2 ASN 13 -1.486 4.690 -7.434
103 HB3 ASN 13 HB3 ASN 13 -2.496 3.743 -8.554
104 HD21 ASN 13 HD21 ASN 13 0.309 3.446 -6.355
105 HD22 ASN 13 HD22 ASN 13 0.283 1.725 -6.542
106 H ASN 14 H ASN 14 1.792 4.106 -10.302
107 HA ASN 14 HA ASN 14 0.729 2.048 -12.216
108 HB2 ASN 14 HB2 ASN 14 3.305 3.626 -12.472
109 HB3 ASN 14 HB3 ASN 14 2.661 2.440 -13.638
110 HD21 ASN 14 HD21 ASN 14 2.074 5.679 -12.107
111 HD22 ASN 14 HD22 ASN 14 0.903 6.181 -13.242
112 H PHE 15 H PHE 15 1.997 0.117 -12.402
113 HA PHE 15 HA PHE 15 2.961 -0.768 -9.902
114 HB2 PHE 15 HB2 PHE 15 2.392 -2.088 -12.408
115 HB3 PHE 15 HB3 PHE 15 4.095 -2.398 -12.087
116 HD1 PHE 15 HD1 PHE 15 0.601 -2.724 -10.823
117 HD2 PHE 15 HD2 PHE 15 4.701 -3.839 -10.131
118 HE1 PHE 15 HE1 PHE 15 -0.135 -4.529 -9.309
119 HE2 PHE 15 HE2 PHE 15 3.962 -5.596 -8.579
120 HZ PHE 15 HZ PHE 15 1.540 -5.973 -8.180
121 H ARG 16 H ARG 16 5.172 -1.527 -9.324
122 HA ARG 16 HA ARG 16 7.135 0.496 -10.029
123 HB2 ARG 16 HB2 ARG 16 7.093 -1.888 -8.292
124 HB3 ARG 16 HB3 ARG 16 8.675 -1.659 -9.012
125 HG2 ARG 16 HG2 ARG 16 7.172 0.544 -7.451
126 HG3 ARG 16 HG3 ARG 16 8.327 -0.587 -6.724
127 HD2 ARG 16 HD2 ARG 16 10.110 0.225 -8.450
128 HD3 ARG 16 HD3 ARG 16 8.950 1.432 -8.964
129 HE ARG 16 HE ARG 16 9.126 2.640 -7.054
130 HH11 ARG 16 HH12 ARG 16 10.703 -0.549 -6.455
131 HH12 ARG 16 HH11 ARG 16 11.530 0.063 -5.037
132 HH21 ARG 16 HH22 ARG 16 10.274 3.323 -5.265
133 HH22 ARG 16 HH21 ARG 16 11.285 2.198 -4.366
134 H LYS 17 H LYS 17 6.520 -2.749 -11.280
135 HA LYS 17 HA LYS 17 8.900 -2.886 -12.842
136 HB2 LYS 17 HB2 LYS 17 6.003 -3.892 -13.309
137 HB3 LYS 17 HB3 LYS 17 7.303 -4.116 -14.496
138 HG2 LYS 17 HG2 LYS 17 8.563 -5.098 -12.183
139 HG3 LYS 17 HG3 LYS 17 6.854 -5.462 -11.840
140 HD2 LYS 17 HD2 LYS 17 6.899 -6.436 -14.369
141 HD3 LYS 17 HD3 LYS 17 8.664 -6.326 -14.162
142 HE2 LYS 17 HE2 LYS 17 7.749 -7.687 -11.803
143 HE3 LYS 17 HE3 LYS 17 6.693 -8.293 -13.107
144 HZ1 LYS 17 HZ1 LYS 17 8.729 -8.870 -14.404
145 HZ2 LYS 17 HZ2 LYS 17 8.656 -9.669 -12.847
146 HZ3 LYS 17 HZ3 LYS 17 9.716 -8.300 -13.058
147 H ARG 18 H ARG 18 6.133 -0.692 -13.175
148 HA ARG 18 HA ARG 18 6.628 -0.320 -16.022
149 HB2 ARG 18 HB2 ARG 18 4.606 0.638 -14.054
150 HB3 ARG 18 HB3 ARG 18 5.219 1.938 -15.042
151 HG2 ARG 18 HG2 ARG 18 4.458 -0.622 -16.514
152 HG3 ARG 18 HG3 ARG 18 3.158 0.193 -15.654
153 HD2 ARG 18 HD2 ARG 18 3.146 1.028 -17.877
154 HD3 ARG 18 HD3 ARG 18 3.528 2.301 -16.714
155 HE ARG 18 HE ARG 18 5.403 2.782 -17.837
156 HH11 ARG 18 HH12 ARG 18 4.426 -0.529 -18.825
157 HH12 ARG 18 HH11 ARG 18 5.782 -0.685 -19.920
158 HH21 ARG 18 HH22 ARG 18 7.142 2.460 -19.283
159 HH22 ARG 18 HH21 ARG 18 7.276 0.958 -20.178
160 H LEU 19 H LEU 19 8.633 0.519 -16.630
161 HA LEU 19 HA LEU 19 10.232 2.207 -15.014
162 HB2 LEU 19 HB2 LEU 19 9.953 1.864 -18.095
163 HB3 LEU 19 HB3 LEU 19 10.977 3.111 -17.391
164 HG LEU 19 HG LEU 19 11.823 0.851 -15.939
165 HD11 LEU 19 HD11 LEU 19 11.786 -0.117 -18.826
166 HD12 LEU 19 HD12 LEU 19 10.484 -0.588 -17.695
167 HD13 LEU 19 HD13 LEU 19 12.176 -0.999 -17.322
168 HD21 LEU 19 HD21 LEU 19 12.988 2.128 -18.476
169 HD22 LEU 19 HD22 LEU 19 13.877 1.030 -17.378
170 HD23 LEU 19 HD23 LEU 19 13.292 2.606 -16.776
171 H LYS 20 H LYS 20 7.457 3.001 -17.051
172 HA LYS 20 HA LYS 20 7.641 5.789 -16.065
173 HB2 LYS 20 HB2 LYS 20 6.919 4.831 -18.921
174 HB3 LYS 20 HB3 LYS 20 6.934 6.541 -18.477
175 HG2 LYS 20 HG2 LYS 20 9.235 6.751 -18.412
176 HG3 LYS 20 HG3 LYS 20 9.528 4.997 -18.231
177 HD2 LYS 20 HD2 LYS 20 8.820 4.569 -20.467
178 HD3 LYS 20 HD3 LYS 20 8.257 6.248 -20.739
179 HE2 LYS 20 HE2 LYS 20 10.377 7.135 -20.974
180 HE3 LYS 20 HE3 LYS 20 11.137 6.004 -19.838
181 HZ1 LYS 20 HZ1 LYS 20 11.350 5.879 -22.586
182 HZ2 LYS 20 HZ2 LYS 20 10.233 4.603 -22.271
183 HZ3 LYS 20 HZ3 LYS 20 11.765 4.622 -21.454
184 H CYS 21 H CYS 21 5.442 7.036 -16.878
185 HA CYS 21 HA CYS 21 3.460 5.485 -15.469
186 HB2 CYS 21 HB2 CYS 21 3.843 8.009 -15.309
187 HB3 CYS 21 HB3 CYS 21 3.187 8.166 -16.974
188 H PHE 22 H PHE 22 1.659 4.314 -16.282
189 HA PHE 22 HA PHE 22 1.631 4.006 -19.234
190 HB2 PHE 22 HB2 PHE 22 1.280 2.122 -17.149
191 HB3 PHE 22 HB3 PHE 22 -0.363 2.611 -17.426
192 HD1 PHE 22 HD1 PHE 22 2.593 2.076 -19.874
193 HD2 PHE 22 HD2 PHE 22 -1.368 0.858 -18.654
194 HE1 PHE 22 HE1 PHE 22 2.506 0.497 -21.726
195 HE2 PHE 22 HE2 PHE 22 -1.447 -0.704 -20.553
196 HZ PHE 22 HZ PHE 22 0.486 -0.897 -22.100
197 H ARG 23 H ARG 23 0.383 6.306 -17.353
198 HA ARG 23 HA ARG 23 -2.250 6.263 -18.722
199 HB2 ARG 23 HB2 ARG 23 -2.517 6.135 -16.380
200 HB3 ARG 23 HB3 ARG 23 -1.256 7.337 -16.013
201 HG2 ARG 23 HG2 ARG 23 -3.346 8.442 -15.619
202 HG3 ARG 23 HG3 ARG 23 -2.577 9.159 -17.025
203 HD2 ARG 23 HD2 ARG 23 -4.443 8.852 -18.174
204 HD3 ARG 23 HD3 ARG 23 -4.262 7.068 -18.112
205 HE ARG 23 HE ARG 23 -5.465 7.669 -15.702
206 HH11 ARG 23 HH12 ARG 23 -6.233 8.018 -19.209
207 HH12 ARG 23 HH11 ARG 23 -7.957 7.981 -18.896
208 HH21 ARG 23 HH22 ARG 23 -7.684 7.596 -15.426
209 HH22 ARG 23 HH21 ARG 23 -8.766 7.718 -16.812
210 H CYS 24 H CYS 24 0.319 8.621 -17.512
211 HA CYS 24 HA CYS 24 -0.508 10.371 -19.767
212 HB2 CYS 24 HB2 CYS 24 0.583 12.142 -18.610
213 HB3 CYS 24 HB3 CYS 24 -0.299 11.191 -17.376
214 H GLY 25 H GLY 25 1.993 7.887 -19.068
215 HA2 GLY 25 HA2 GLY 25 3.585 7.278 -20.673
216 HA3 GLY 25 HA3 GLY 25 3.431 8.847 -21.473
217 H ALA 26 H ALA 26 3.746 10.509 -19.060
218 HA ALA 26 HA ALA 26 6.433 10.883 -19.197
219 HB1 ALA 26 HB1 ALA 26 4.583 12.428 -18.026
220 HB2 ALA 26 HB2 ALA 26 5.104 11.581 -16.541
221 HB3 ALA 26 HB3 ALA 26 6.285 12.509 -17.511
222 H ASP 27 H ASP 27 8.292 10.419 -17.802
223 HA ASP 27 HA ASP 27 8.130 7.825 -16.680
224 HB2 ASP 27 HB2 ASP 27 10.224 8.828 -17.735
225 HB3 ASP 27 HB3 ASP 27 10.385 9.798 -16.251
226 H LYS 28 H LYS 28 8.572 7.139 -14.409
227 HA LYS 28 HA LYS 28 7.055 8.628 -12.515
228 HB2 LYS 28 HB2 LYS 28 8.122 7.225 -10.813
229 HB3 LYS 28 HB3 LYS 28 7.468 6.257 -12.142
230 HG2 LYS 28 HG2 LYS 28 9.420 5.279 -12.698
231 HG3 LYS 28 HG3 LYS 28 10.286 6.832 -12.712
232 HD2 LYS 28 HD2 LYS 28 11.320 5.436 -11.083
233 HD3 LYS 28 HD3 LYS 28 10.523 6.839 -10.301
234 HE2 LYS 28 HE2 LYS 28 8.597 5.324 -9.627
235 HE3 LYS 28 HE3 LYS 28 9.381 3.964 -10.460
236 HZ1 LYS 28 HZ1 LYS 28 10.883 3.702 -8.765
237 HZ2 LYS 28 HZ2 LYS 28 9.741 4.722 -7.828
238 HZ3 LYS 28 HZ3 LYS 28 11.131 5.400 -8.515
239 H PHE 29 H PHE 29 10.421 9.059 -13.644
240 HA PHE 29 HA PHE 29 10.895 10.871 -11.302
241 HB2 PHE 29 HB2 PHE 29 12.483 8.779 -12.572
242 HB3 PHE 29 HB3 PHE 29 13.280 10.314 -12.910
243 HD1 PHE 29 HD2 PHE 29 13.465 11.975 -10.835
244 HD2 PHE 29 HD1 PHE 29 12.886 7.724 -10.488
245 HE1 PHE 29 HE2 PHE 29 14.427 12.022 -8.554
246 HE2 PHE 29 HE1 PHE 29 13.828 7.781 -8.210
247 HZ PHE 29 HZ PHE 29 14.617 9.926 -7.240
248 H ASP 30 H ASP 30 9.187 11.441 -13.899
249 HA ASP 30 HA ASP 30 10.825 13.843 -14.633
250 HB2 ASP 30 HB2 ASP 30 11.082 11.974 -16.302
251 HB3 ASP 30 HB3 ASP 30 9.321 12.100 -16.628
252 HN1 NH2 31 HN1 NH2 31 9.431 15.483 -13.732
253 HN2 NH2 31 HN2 NH2 31 7.719 15.471 -13.979
Start of MODEL 20
1 H1 ACE 0 H1 ACE 0 -2.825 0.323 -1.778
2 H2 ACE 0 H2 ACE 0 -2.651 -1.462 -1.658
3 H3 ACE 0 H3 ACE 0 -3.106 -0.705 -3.218
4 H LYS 1 H LYS 1 -0.408 -0.503 -0.726
5 HA LYS 1 HA LYS 1 1.311 0.491 -2.873
6 HB2 LYS 1 HB2 LYS 1 1.246 1.088 -0.304
7 HB3 LYS 1 HB3 LYS 1 2.356 -0.264 -0.085
8 HG2 LYS 1 HG2 LYS 1 4.136 0.894 -1.124
9 HG3 LYS 1 HG3 LYS 1 3.085 1.757 -2.270
10 HD2 LYS 1 HD2 LYS 1 2.165 3.162 -0.350
11 HD3 LYS 1 HD3 LYS 1 3.428 2.444 0.692
12 HE2 LYS 1 HE2 LYS 1 3.813 4.092 -1.907
13 HE3 LYS 1 HE3 LYS 1 3.969 4.701 -0.239
14 HZ1 LYS 1 HZ1 LYS 1 5.781 2.878 0.039
15 HZ2 LYS 1 HZ2 LYS 1 6.154 4.305 -0.892
16 HZ3 LYS 1 HZ3 LYS 1 5.774 2.816 -1.719
17 H PHE 2 H PHE 2 0.546 -1.858 -3.926
18 HA PHE 2 HA PHE 2 2.208 -4.068 -2.848
19 HB2 PHE 2 HB2 PHE 2 0.280 -3.980 -5.236
20 HB3 PHE 2 HB3 PHE 2 1.069 -5.430 -4.563
21 HD1 PHE 2 HD2 PHE 2 0.671 -5.923 -2.010
22 HD2 PHE 2 HD1 PHE 2 -1.852 -3.315 -4.328
23 HE1 PHE 2 HE2 PHE 2 -1.173 -6.275 -0.406
24 HE2 PHE 2 HE1 PHE 2 -3.709 -3.727 -2.757
25 HZ PHE 2 HZ PHE 2 -3.376 -5.195 -0.784
26 H GLU 3 H GLU 3 4.089 -2.376 -3.401
27 HA GLU 3 HA GLU 3 5.907 -2.027 -4.677
28 HB2 GLU 3 HB2 GLU 3 5.520 -4.620 -4.744
29 HB3 GLU 3 HB3 GLU 3 5.069 -4.420 -6.456
30 HG2 GLU 3 HG2 GLU 3 7.272 -4.165 -7.095
31 HG3 GLU 3 HG3 GLU 3 7.622 -3.080 -5.708
32 H ASP 4 H ASP 4 4.425 -0.040 -5.181
33 HA ASP 4 HA ASP 4 4.544 0.313 -8.104
34 HB2 ASP 4 HB2 ASP 4 2.058 1.252 -7.919
35 HB3 ASP 4 HB3 ASP 4 2.277 -0.516 -7.944
36 H TRP 5 H TRP 5 3.786 2.710 -8.595
37 HA TRP 5 HA TRP 5 4.547 4.481 -6.314
38 HB2 TRP 5 HB2 TRP 5 6.058 5.740 -8.001
39 HB3 TRP 5 HB3 TRP 5 6.635 4.130 -7.494
40 HD1 TRP 5 HD1 TRP 5 6.679 2.298 -9.186
41 HE1 TRP 5 HE1 TRP 5 6.548 2.131 -11.774
42 HE3 TRP 5 HE3 TRP 5 4.581 6.839 -10.110
43 HZ2 TRP 5 HZ2 TRP 5 5.947 3.856 -13.890
44 HZ3 TRP 5 HZ3 TRP 5 4.193 7.482 -12.543
45 HH2 TRP 5 HH2 TRP 5 5.014 6.097 -14.323
46 H LEU 6 H LEU 6 4.083 6.819 -6.844
47 HA LEU 6 HA LEU 6 1.556 6.868 -8.404
48 HB2 LEU 6 HB2 LEU 6 2.529 8.382 -5.929
49 HB3 LEU 6 HB3 LEU 6 1.692 9.326 -7.159
50 HG LEU 6 HG LEU 6 -0.117 7.313 -7.031
51 HD11 LEU 6 HD11 LEU 6 -0.312 6.331 -4.790
52 HD12 LEU 6 HD12 LEU 6 0.909 7.435 -4.113
53 HD13 LEU 6 HD13 LEU 6 1.424 6.143 -5.223
54 HD21 LEU 6 HD21 LEU 6 -1.563 8.616 -5.839
55 HD22 LEU 6 HD22 LEU 6 -0.437 9.767 -6.592
56 HD23 LEU 6 HD23 LEU 6 -0.289 9.401 -4.852
57 H CYS 7 H CYS 7 1.447 8.109 -10.300
58 HA CYS 7 HA CYS 7 3.943 9.212 -11.204
59 HB2 CYS 7 HB2 CYS 7 1.995 8.277 -12.696
60 HB3 CYS 7 HB3 CYS 7 1.077 9.733 -12.232
61 H ASN 8 H ASN 8 4.533 11.433 -11.729
62 HA ASN 8 HA ASN 8 3.379 13.265 -9.689
63 HB2 ASN 8 HB2 ASN 8 5.362 14.457 -9.806
64 HB3 ASN 8 HB3 ASN 8 5.931 12.781 -10.030
65 HD21 ASN 8 HD21 ASN 8 6.808 15.711 -11.157
66 HD22 ASN 8 HD22 ASN 8 7.056 15.337 -12.824
67 H LYS 9 H LYS 9 1.996 12.492 -12.343
68 HA LYS 9 HA LYS 9 1.644 15.280 -13.288
69 HB2 LYS 9 HB2 LYS 9 3.220 13.816 -14.823
70 HB3 LYS 9 HB3 LYS 9 1.770 12.865 -15.187
71 HG2 LYS 9 HG2 LYS 9 1.724 14.445 -16.931
72 HG3 LYS 9 HG3 LYS 9 0.628 15.166 -15.733
73 HD2 LYS 9 HD2 LYS 9 3.071 16.307 -14.925
74 HD3 LYS 9 HD3 LYS 9 3.416 15.968 -16.634
75 HE2 LYS 9 HE2 LYS 9 2.536 18.170 -16.693
76 HE3 LYS 9 HE3 LYS 9 1.107 17.185 -17.094
77 HZ1 LYS 9 HZ1 LYS 9 1.796 18.683 -14.590
78 HZ2 LYS 9 HZ2 LYS 9 0.791 17.282 -14.409
79 HZ3 LYS 9 HZ3 LYS 9 0.267 18.576 -15.427
80 H CYS 10 H CYS 10 0.295 11.887 -13.715
81 HA CYS 10 HA CYS 10 -2.417 13.124 -13.490
82 HB2 CYS 10 HB2 CYS 10 -3.181 11.084 -14.519
83 HB3 CYS 10 HB3 CYS 10 -1.879 11.784 -15.514
84 H CYS 11 H CYS 11 -0.101 11.697 -11.328
85 HA CYS 11 HA CYS 11 -0.381 10.826 -9.258
86 HB2 CYS 11 HB2 CYS 11 -2.131 12.825 -9.490
87 HB3 CYS 11 HB3 CYS 11 -3.340 11.518 -9.295
88 HG CYS 11 HG CYS 11 -2.387 10.999 -7.079
89 H LEU 12 H LEU 12 -1.063 9.070 -11.763
90 HA LEU 12 HA LEU 12 -3.053 7.249 -10.631
91 HB2 LEU 12 HB2 LEU 12 -2.832 7.809 -13.055
92 HB3 LEU 12 HB3 LEU 12 -1.238 7.022 -13.080
93 HG LEU 12 HG LEU 12 -2.763 4.942 -12.124
94 HD11 LEU 12 HD11 LEU 12 -5.001 4.869 -12.639
95 HD12 LEU 12 HD12 LEU 12 -4.888 6.075 -13.937
96 HD13 LEU 12 HD13 LEU 12 -4.844 6.598 -12.239
97 HD21 LEU 12 HD21 LEU 12 -3.242 4.628 -14.874
98 HD22 LEU 12 HD22 LEU 12 -1.884 4.019 -13.908
99 HD23 LEU 12 HD23 LEU 12 -1.720 5.557 -14.748
100 H ASN 13 H ASN 13 -2.505 5.082 -9.918
101 HA ASN 13 HA ASN 13 0.218 4.795 -9.021
102 HB2 ASN 13 HB2 ASN 13 -2.236 3.789 -8.083
103 HB3 ASN 13 HB3 ASN 13 -1.609 2.381 -8.972
104 HD21 ASN 13 HD21 ASN 13 -0.299 5.019 -6.813
105 HD22 ASN 13 HD22 ASN 13 0.546 3.929 -5.763
106 H ASN 14 H ASN 14 1.865 3.358 -9.823
107 HA ASN 14 HA ASN 14 1.038 1.638 -12.085
108 HB2 ASN 14 HB2 ASN 14 3.161 3.829 -12.085
109 HB3 ASN 14 HB3 ASN 14 3.367 2.415 -13.166
110 HD21 ASN 14 HD21 ASN 14 1.172 1.815 -14.455
111 HD22 ASN 14 HD22 ASN 14 0.271 3.174 -15.012
112 H PHE 15 H PHE 15 2.332 -0.182 -12.443
113 HA PHE 15 HA PHE 15 3.197 -1.337 -10.075
114 HB2 PHE 15 HB2 PHE 15 2.920 -2.306 -12.761
115 HB3 PHE 15 HB3 PHE 15 4.615 -2.552 -12.385
116 HD1 PHE 15 HD2 PHE 15 1.087 -3.252 -11.405
117 HD2 PHE 15 HD1 PHE 15 5.196 -4.250 -10.603
118 HE1 PHE 15 HE2 PHE 15 0.379 -5.298 -10.218
119 HE2 PHE 15 HE1 PHE 15 4.485 -6.261 -9.407
120 HZ PHE 15 HZ PHE 15 2.071 -6.813 -9.217
121 H ARG 16 H ARG 16 5.363 -1.770 -9.159
122 HA ARG 16 HA ARG 16 7.318 0.314 -9.707
123 HB2 ARG 16 HB2 ARG 16 7.280 -2.126 -7.990
124 HB3 ARG 16 HB3 ARG 16 8.870 -1.692 -8.634
125 HG2 ARG 16 HG2 ARG 16 8.364 0.719 -7.637
126 HG3 ARG 16 HG3 ARG 16 7.024 -0.099 -6.800
127 HD2 ARG 16 HD2 ARG 16 9.306 -1.776 -6.390
128 HD3 ARG 16 HD3 ARG 16 10.002 -0.147 -6.332
129 HE ARG 16 HE ARG 16 7.787 -0.026 -4.625
130 HH11 ARG 16 HH12 ARG 16 10.829 -1.971 -4.800
131 HH12 ARG 16 HH11 ARG 16 10.841 -2.208 -3.066
132 HH21 ARG 16 HH22 ARG 16 7.935 -0.377 -2.421
133 HH22 ARG 16 HH21 ARG 16 9.266 -1.311 -1.747
134 H LYS 17 H LYS 17 6.748 -2.737 -11.247
135 HA LYS 17 HA LYS 17 9.387 -2.871 -12.364
136 HB2 LYS 17 HB2 LYS 17 7.232 -4.676 -12.308
137 HB3 LYS 17 HB3 LYS 17 6.986 -3.939 -13.892
138 HG2 LYS 17 HG2 LYS 17 8.437 -5.660 -14.496
139 HG3 LYS 17 HG3 LYS 17 9.644 -4.423 -14.117
140 HD2 LYS 17 HD2 LYS 17 9.132 -5.718 -11.572
141 HD3 LYS 17 HD3 LYS 17 8.920 -7.012 -12.755
142 HE2 LYS 17 HE2 LYS 17 11.183 -7.302 -12.611
143 HE3 LYS 17 HE3 LYS 17 11.383 -5.811 -13.549
144 HZ1 LYS 17 HZ1 LYS 17 11.211 -4.612 -11.229
145 HZ2 LYS 17 HZ2 LYS 17 12.656 -5.496 -11.607
146 HZ3 LYS 17 HZ3 LYS 17 11.457 -6.217 -10.570
147 H ARG 18 H ARG 18 6.512 -0.852 -12.999
148 HA ARG 18 HA ARG 18 6.833 -0.734 -15.791
149 HB2 ARG 18 HB2 ARG 18 4.940 0.481 -13.958
150 HB3 ARG 18 HB3 ARG 18 5.853 1.806 -14.672
151 HG2 ARG 18 HG2 ARG 18 4.060 1.616 -16.144
152 HG3 ARG 18 HG3 ARG 18 5.293 0.630 -16.972
153 HD2 ARG 18 HD2 ARG 18 4.260 -1.334 -15.493
154 HD3 ARG 18 HD3 ARG 18 2.868 -0.208 -15.265
155 HE ARG 18 HE ARG 18 3.391 -0.360 -18.045
156 HH11 ARG 18 HH12 ARG 18 2.318 -2.551 -15.400
157 HH12 ARG 18 HH11 ARG 18 1.538 -3.644 -16.531
158 HH21 ARG 18 HH22 ARG 18 2.346 -1.809 -19.402
159 HH22 ARG 18 HH21 ARG 18 1.533 -3.227 -18.747
160 H LEU 19 H LEU 19 7.918 0.883 -17.085
161 HA LEU 19 HA LEU 19 10.089 2.387 -15.659
162 HB2 LEU 19 HB2 LEU 19 9.661 1.295 -18.456
163 HB3 LEU 19 HB3 LEU 19 10.443 2.876 -18.381
164 HG LEU 19 HG LEU 19 11.508 0.649 -16.588
165 HD11 LEU 19 HD11 LEU 19 11.733 -0.624 -18.499
166 HD12 LEU 19 HD12 LEU 19 13.186 0.387 -18.721
167 HD13 LEU 19 HD13 LEU 19 11.694 0.773 -19.616
168 HD21 LEU 19 HD21 LEU 19 12.333 3.047 -16.346
169 HD22 LEU 19 HD22 LEU 19 12.880 2.993 -18.048
170 HD23 LEU 19 HD23 LEU 19 13.615 1.908 -16.832
171 H LYS 20 H LYS 20 6.947 2.973 -17.408
172 HA LYS 20 HA LYS 20 7.315 5.754 -16.613
173 HB2 LYS 20 HB2 LYS 20 7.164 4.752 -19.528
174 HB3 LYS 20 HB3 LYS 20 6.317 6.250 -19.081
175 HG2 LYS 20 HG2 LYS 20 8.560 7.085 -18.112
176 HG3 LYS 20 HG3 LYS 20 9.309 5.686 -18.911
177 HD2 LYS 20 HD2 LYS 20 7.785 6.955 -20.985
178 HD3 LYS 20 HD3 LYS 20 8.263 8.323 -19.948
179 HE2 LYS 20 HE2 LYS 20 10.077 8.211 -21.436
180 HE3 LYS 20 HE3 LYS 20 10.692 7.268 -20.058
181 HZ1 LYS 20 HZ1 LYS 20 9.734 6.380 -22.756
182 HZ2 LYS 20 HZ2 LYS 20 9.526 5.261 -21.437
183 HZ3 LYS 20 HZ3 LYS 20 11.121 5.832 -21.841
184 H CYS 21 H CYS 21 5.291 6.994 -16.853
185 HA CYS 21 HA CYS 21 3.297 5.378 -15.695
186 HB2 CYS 21 HB2 CYS 21 3.563 7.871 -15.335
187 HB3 CYS 21 HB3 CYS 21 2.915 8.141 -16.982
188 H PHE 22 H PHE 22 1.532 4.274 -16.581
189 HA PHE 22 HA PHE 22 1.562 3.967 -19.520
190 HB2 PHE 22 HB2 PHE 22 1.383 2.105 -17.550
191 HB3 PHE 22 HB3 PHE 22 -0.351 2.482 -17.680
192 HD1 PHE 22 HD2 PHE 22 2.757 1.556 -19.568
193 HD2 PHE 22 HD1 PHE 22 -1.546 1.540 -19.649
194 HE1 PHE 22 HE2 PHE 22 2.802 0.017 -21.503
195 HE2 PHE 22 HE1 PHE 22 -1.495 0.026 -21.605
196 HZ PHE 22 HZ PHE 22 0.673 -0.755 -22.524
197 H ARG 23 H ARG 23 0.196 6.287 -17.605
198 HA ARG 23 HA ARG 23 -2.403 6.291 -19.072
199 HB2 ARG 23 HB2 ARG 23 -2.745 6.103 -16.774
200 HB3 ARG 23 HB3 ARG 23 -1.589 7.390 -16.310
201 HG2 ARG 23 HG2 ARG 23 -3.003 9.146 -16.947
202 HG3 ARG 23 HG3 ARG 23 -3.772 8.182 -18.220
203 HD2 ARG 23 HD2 ARG 23 -5.527 8.333 -16.870
204 HD3 ARG 23 HD3 ARG 23 -4.881 6.795 -16.226
205 HE ARG 23 HE ARG 23 -3.750 8.907 -14.721
206 HH11 ARG 23 HH12 ARG 23 -7.033 7.612 -15.338
207 HH12 ARG 23 HH11 ARG 23 -7.670 8.312 -13.860
208 HH21 ARG 23 HH22 ARG 23 -4.639 9.722 -12.804
209 HH22 ARG 23 HH21 ARG 23 -6.343 9.453 -12.442
210 H CYS 24 H CYS 24 0.121 8.605 -17.673
211 HA CYS 24 HA CYS 24 -0.598 10.419 -19.927
212 HB2 CYS 24 HB2 CYS 24 0.424 12.154 -18.611
213 HB3 CYS 24 HB3 CYS 24 -0.605 11.178 -17.511
214 H GLY 25 H GLY 25 1.902 7.948 -19.177
215 HA2 GLY 25 HA2 GLY 25 3.625 7.449 -20.682
216 HA3 GLY 25 HA3 GLY 25 3.457 9.030 -21.449
217 H ALA 26 H ALA 26 3.596 10.593 -18.885
218 HA ALA 26 HA ALA 26 6.308 11.033 -18.906
219 HB1 ALA 26 HB1 ALA 26 4.373 12.504 -17.800
220 HB2 ALA 26 HB2 ALA 26 4.771 11.581 -16.321
221 HB3 ALA 26 HB3 ALA 26 6.021 12.570 -17.133
222 H ASP 27 H ASP 27 8.008 10.745 -17.167
223 HA ASP 27 HA ASP 27 7.805 7.986 -16.090
224 HB2 ASP 27 HB2 ASP 27 9.860 9.149 -17.457
225 HB3 ASP 27 HB3 ASP 27 10.300 9.672 -15.809
226 H LYS 28 H LYS 28 9.100 7.748 -13.930
227 HA LYS 28 HA LYS 28 7.319 8.805 -11.967
228 HB2 LYS 28 HB2 LYS 28 10.166 7.718 -11.653
229 HB3 LYS 28 HB3 LYS 28 9.027 7.927 -10.306
230 HG2 LYS 28 HG2 LYS 28 7.625 6.188 -11.012
231 HG3 LYS 28 HG3 LYS 28 8.175 6.149 -12.672
232 HD2 LYS 28 HD2 LYS 28 9.474 4.386 -12.155
233 HD3 LYS 28 HD3 LYS 28 10.581 5.522 -11.401
234 HE2 LYS 28 HE2 LYS 28 8.645 5.004 -9.350
235 HE3 LYS 28 HE3 LYS 28 8.858 3.445 -10.198
236 HZ1 LYS 28 HZ1 LYS 28 10.310 3.932 -8.208
237 HZ2 LYS 28 HZ2 LYS 28 11.195 5.060 -9.177
238 HZ3 LYS 28 HZ3 LYS 28 11.127 3.365 -9.646
239 H PHE 29 H PHE 29 10.798 9.644 -12.788
240 HA PHE 29 HA PHE 29 10.463 12.150 -11.164
241 HB2 PHE 29 HB2 PHE 29 12.522 10.139 -11.198
242 HB3 PHE 29 HB3 PHE 29 13.220 11.535 -12.020
243 HD1 PHE 29 HD2 PHE 29 11.241 10.499 -8.989
244 HD2 PHE 29 HD1 PHE 29 14.041 13.343 -10.599
245 HE1 PHE 29 HE2 PHE 29 11.609 11.425 -6.723
246 HE2 PHE 29 HE1 PHE 29 14.414 14.251 -8.332
247 HZ PHE 29 HZ PHE 29 13.200 13.299 -6.389
248 H ASP 30 H ASP 30 9.339 11.615 -13.993
249 HA ASP 30 HA ASP 30 9.472 12.512 -16.081
250 HB2 ASP 30 HB2 ASP 30 8.758 14.327 -14.520
251 HB3 ASP 30 HB3 ASP 30 10.432 14.938 -14.465
252 HN1 NH2 31 HN1 NH2 31 11.940 14.738 -16.491
253 HN2 NH2 31 HN2 NH2 31 13.187 13.609 -16.866
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