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 |
|
|
526925 |
2lk1   |
17970 | 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 0.709 17.024 2.171
2 H2 ACE 0 H2 ACE 0 1.627 15.630 2.773
3 H3 ACE 0 H3 ACE 0 0.444 16.425 3.831
4 H LYS 1 H LYS 1 0.534 15.034 0.504
5 HA LYS 1 HA LYS 1 -2.261 14.169 0.801
6 HB2 LYS 1 HB2 LYS 1 -1.521 15.044 -1.299
7 HB3 LYS 1 HB3 LYS 1 -0.274 13.783 -1.506
8 HG2 LYS 1 HG2 LYS 1 -1.812 12.137 -2.126
9 HG3 LYS 1 HG3 LYS 1 -3.023 12.692 -0.939
10 HD2 LYS 1 HD2 LYS 1 -3.943 12.988 -3.158
11 HD3 LYS 1 HD3 LYS 1 -3.682 14.572 -2.371
12 HE2 LYS 1 HE2 LYS 1 -1.543 14.829 -3.738
13 HE3 LYS 1 HE3 LYS 1 -1.883 13.258 -4.521
14 HZ1 LYS 1 HZ1 LYS 1 -2.596 15.352 -5.769
15 HZ2 LYS 1 HZ2 LYS 1 -3.841 15.579 -4.585
16 HZ3 LYS 1 HZ3 LYS 1 -3.833 14.132 -5.578
17 H PHE 2 H PHE 2 -2.078 12.618 2.629
18 HA PHE 2 HA PHE 2 -0.491 10.158 2.036
19 HB2 PHE 2 HB2 PHE 2 -2.287 10.887 4.418
20 HB3 PHE 2 HB3 PHE 2 -1.371 9.371 4.232
21 HD1 PHE 2 HD2 PHE 2 1.194 9.554 3.742
22 HD2 PHE 2 HD1 PHE 2 -1.124 12.720 5.520
23 HE1 PHE 2 HE2 PHE 2 3.246 10.509 4.727
24 HE2 PHE 2 HE1 PHE 2 0.921 13.609 6.581
25 HZ PHE 2 HZ PHE 2 3.111 12.514 6.186
26 H GLU 3 H GLU 3 -2.025 10.329 -0.079
27 HA GLU 3 HA GLU 3 -4.660 9.110 0.319
28 HB2 GLU 3 HB2 GLU 3 -4.137 10.542 -1.669
29 HB3 GLU 3 HB3 GLU 3 -2.903 9.367 -2.181
30 HG2 GLU 3 HG2 GLU 3 -4.960 7.615 -2.091
31 HG3 GLU 3 HG3 GLU 3 -5.943 9.097 -2.187
32 H ASP 4 H ASP 4 -3.840 7.336 1.794
33 HA ASP 4 HA ASP 4 -1.774 5.546 1.045
34 HB2 ASP 4 HB2 ASP 4 -4.319 5.002 2.659
35 HB3 ASP 4 HB3 ASP 4 -2.831 4.014 2.730
36 H TRP 5 H TRP 5 -2.156 3.098 0.476
37 HA TRP 5 HA TRP 5 -4.350 2.890 -1.575
38 HB2 TRP 5 HB2 TRP 5 -2.681 1.616 -3.024
39 HB3 TRP 5 HB3 TRP 5 -2.327 3.352 -2.815
40 HD1 TRP 5 HD1 TRP 5 -0.346 4.035 -1.360
41 HE1 TRP 5 HE1 TRP 5 1.813 2.876 -0.619
42 HE3 TRP 5 HE3 TRP 5 -1.742 -0.866 -2.121
43 HZ2 TRP 5 HZ2 TRP 5 2.868 0.343 -0.544
44 HZ3 TRP 5 HZ3 TRP 5 0.078 -2.615 -1.919
45 HH2 TRP 5 HH2 TRP 5 2.329 -1.994 -1.273
46 H LEU 6 H LEU 6 -4.846 0.591 -2.168
47 HA LEU 6 HA LEU 6 -4.614 -0.988 0.342
48 HB2 LEU 6 HB2 LEU 6 -6.827 0.000 -0.706
49 HB3 LEU 6 HB3 LEU 6 -6.734 -1.381 -1.809
50 HG LEU 6 HG LEU 6 -6.322 -2.378 0.948
51 HD11 LEU 6 HD11 LEU 6 -8.402 -1.644 2.056
52 HD12 LEU 6 HD12 LEU 6 -8.822 -0.600 0.665
53 HD13 LEU 6 HD13 LEU 6 -7.397 -0.216 1.683
54 HD21 LEU 6 HD21 LEU 6 -8.734 -2.650 -0.928
55 HD22 LEU 6 HD22 LEU 6 -8.375 -3.630 0.524
56 HD23 LEU 6 HD23 LEU 6 -7.283 -3.707 -0.895
57 H CYS 7 H CYS 7 -3.301 -2.865 0.182
58 HA CYS 7 HA CYS 7 -2.043 -3.405 -2.307
59 HB2 CYS 7 HB2 CYS 7 -1.076 -3.959 -0.053
60 HB3 CYS 7 HB3 CYS 7 -2.354 -5.190 0.188
61 H ASN 8 H ASN 8 -2.283 -5.281 -3.783
62 HA ASN 8 HA ASN 8 -5.129 -6.253 -3.768
63 HB2 ASN 8 HB2 ASN 8 -3.767 -4.851 -5.737
64 HB3 ASN 8 HB3 ASN 8 -3.415 -6.515 -6.239
65 HD21 ASN 8 HD21 ASN 8 -6.079 -4.223 -5.255
66 HD22 ASN 8 HD22 ASN 8 -7.292 -4.974 -6.228
67 H LYS 9 H LYS 9 -3.071 -7.327 -2.022
68 HA LYS 9 HA LYS 9 -2.829 -10.079 -3.140
69 HB2 LYS 9 HB2 LYS 9 -0.799 -8.176 -3.150
70 HB3 LYS 9 HB3 LYS 9 -0.482 -8.964 -1.582
71 HG2 LYS 9 HG2 LYS 9 -0.744 -10.450 -4.281
72 HG3 LYS 9 HG3 LYS 9 0.790 -9.821 -3.618
73 HD2 LYS 9 HD2 LYS 9 0.636 -11.236 -1.627
74 HD3 LYS 9 HD3 LYS 9 -0.948 -11.892 -2.149
75 HE2 LYS 9 HE2 LYS 9 0.045 -12.973 -4.097
76 HE3 LYS 9 HE3 LYS 9 1.596 -12.108 -3.889
77 HZ1 LYS 9 HZ1 LYS 9 1.722 -14.422 -3.134
78 HZ2 LYS 9 HZ2 LYS 9 0.497 -14.111 -1.920
79 HZ3 LYS 9 HZ3 LYS 9 2.051 -13.295 -1.845
80 H CYS 10 H CYS 10 -2.129 -8.069 -0.103
81 HA CYS 10 HA CYS 10 -3.725 -10.110 1.402
82 HB2 CYS 10 HB2 CYS 10 -2.526 -9.294 3.381
83 HB3 CYS 10 HB3 CYS 10 -1.342 -9.761 2.129
84 H CYS 11 H CYS 11 -4.403 -7.117 -0.102
85 HA CYS 11 HA CYS 11 -6.103 -5.670 0.266
86 HB2 CYS 11 HB2 CYS 11 -7.072 -8.102 0.667
87 HB3 CYS 11 HB3 CYS 11 -7.239 -7.569 2.368
88 HG CYS 11 HG CYS 11 -8.530 -6.292 -0.103
89 H LEU 12 H LEU 12 -3.664 -5.277 2.059
90 HA LEU 12 HA LEU 12 -4.988 -4.179 4.491
91 HB2 LEU 12 HB2 LEU 12 -3.015 -5.775 4.487
92 HB3 LEU 12 HB3 LEU 12 -2.005 -4.442 3.880
93 HG LEU 12 HG LEU 12 -3.499 -4.643 6.569
94 HD11 LEU 12 HD11 LEU 12 -0.504 -4.258 5.986
95 HD12 LEU 12 HD12 LEU 12 -1.284 -5.853 6.171
96 HD13 LEU 12 HD13 LEU 12 -1.261 -4.713 7.544
97 HD21 LEU 12 HD21 LEU 12 -1.980 -2.243 5.388
98 HD22 LEU 12 HD22 LEU 12 -2.246 -2.447 7.149
99 HD23 LEU 12 HD23 LEU 12 -3.643 -2.255 6.084
100 H ASN 13 H ASN 13 -5.313 -1.866 4.514
101 HA ASN 13 HA ASN 13 -4.434 -0.137 2.449
102 HB2 ASN 13 HB2 ASN 13 -6.290 0.361 3.983
103 HB3 ASN 13 HB3 ASN 13 -5.162 0.438 5.364
104 HD21 ASN 13 HD21 ASN 13 -5.522 2.719 5.836
105 HD22 ASN 13 HD22 ASN 13 -5.080 3.956 4.727
106 H ASN 14 H ASN 14 -2.124 0.317 2.002
107 HA ASN 14 HA ASN 14 -0.380 0.615 4.429
108 HB2 ASN 14 HB2 ASN 14 0.513 0.157 1.540
109 HB3 ASN 14 HB3 ASN 14 1.522 0.147 3.006
110 HD21 ASN 14 HD21 ASN 14 -0.970 -1.688 1.165
111 HD22 ASN 14 HD22 ASN 14 -0.916 -3.097 2.144
112 H PHE 15 H PHE 15 1.089 2.502 4.482
113 HA PHE 15 HA PHE 15 -0.189 4.823 3.632
114 HB2 PHE 15 HB2 PHE 15 2.732 4.325 4.443
115 HB3 PHE 15 HB3 PHE 15 2.220 5.933 3.905
116 HD1 PHE 15 HD1 PHE 15 0.102 6.998 4.896
117 HD2 PHE 15 HD2 PHE 15 2.452 3.981 6.850
118 HE1 PHE 15 HE1 PHE 15 -0.936 7.598 7.056
119 HE2 PHE 15 HE2 PHE 15 1.455 4.625 9.028
120 HZ PHE 15 HZ PHE 15 -0.279 6.393 9.126
121 H ARG 16 H ARG 16 0.542 6.575 2.161
122 HA ARG 16 HA ARG 16 1.097 5.496 -0.474
123 HB2 ARG 16 HB2 ARG 16 -0.365 7.410 -0.165
124 HB3 ARG 16 HB3 ARG 16 0.948 8.402 0.522
125 HG2 ARG 16 HG2 ARG 16 2.106 8.589 -1.539
126 HG3 ARG 16 HG3 ARG 16 1.333 7.148 -2.259
127 HD2 ARG 16 HD2 ARG 16 -0.735 8.187 -2.595
128 HD3 ARG 16 HD3 ARG 16 -0.404 9.583 -1.571
129 HE ARG 16 HE ARG 16 0.326 9.141 -4.378
130 HH11 ARG 16 HH12 ARG 16 1.317 10.957 -1.402
131 HH12 ARG 16 HH11 ARG 16 2.033 12.239 -2.364
132 HH21 ARG 16 HH22 ARG 16 1.305 10.815 -5.476
133 HH22 ARG 16 HH21 ARG 16 2.048 12.158 -4.608
134 H LYS 17 H LYS 17 3.049 7.354 1.965
135 HA LYS 17 HA LYS 17 5.277 7.708 0.333
136 HB2 LYS 17 HB2 LYS 17 6.606 7.968 2.268
137 HB3 LYS 17 HB3 LYS 17 4.981 8.469 2.806
138 HG2 LYS 17 HG2 LYS 17 4.736 6.020 3.733
139 HG3 LYS 17 HG3 LYS 17 6.467 5.829 3.321
140 HD2 LYS 17 HD2 LYS 17 6.791 7.999 4.832
141 HD3 LYS 17 HD3 LYS 17 5.121 7.655 5.366
142 HE2 LYS 17 HE2 LYS 17 6.456 6.561 6.998
143 HE3 LYS 17 HE3 LYS 17 5.998 5.225 5.903
144 HZ1 LYS 17 HZ1 LYS 17 8.259 5.495 4.807
145 HZ2 LYS 17 HZ2 LYS 17 8.362 5.153 6.509
146 HZ3 LYS 17 HZ3 LYS 17 8.613 6.773 5.929
147 H ARG 18 H ARG 18 4.081 4.680 1.904
148 HA ARG 18 HA ARG 18 6.545 3.238 1.351
149 HB2 ARG 18 HB2 ARG 18 3.741 2.400 2.254
150 HB3 ARG 18 HB3 ARG 18 4.992 1.228 1.844
151 HG2 ARG 18 HG2 ARG 18 5.812 3.482 3.674
152 HG3 ARG 18 HG3 ARG 18 4.731 2.269 4.358
153 HD2 ARG 18 HD2 ARG 18 6.243 0.538 4.255
154 HD3 ARG 18 HD3 ARG 18 7.124 1.178 2.824
155 HE ARG 18 HE ARG 18 7.714 2.969 4.878
156 HH11 ARG 18 HH12 ARG 18 8.257 -0.528 4.149
157 HH12 ARG 18 HH11 ARG 18 9.816 -0.510 4.963
158 HH21 ARG 18 HH22 ARG 18 9.730 2.877 5.835
159 HH22 ARG 18 HH21 ARG 18 10.634 1.362 5.888
160 H LEU 19 H LEU 19 7.132 2.824 -0.806
161 HA LEU 19 HA LEU 19 5.165 2.639 -2.936
162 HB2 LEU 19 HB2 LEU 19 8.062 1.645 -2.676
163 HB3 LEU 19 HB3 LEU 19 7.146 1.591 -4.194
164 HG LEU 19 HG LEU 19 7.387 4.284 -2.755
165 HD11 LEU 19 HD11 LEU 19 9.509 4.768 -3.971
166 HD12 LEU 19 HD12 LEU 19 9.593 3.061 -4.507
167 HD13 LEU 19 HD13 LEU 19 9.718 3.470 -2.768
168 HD21 LEU 19 HD21 LEU 19 7.355 3.534 -5.743
169 HD22 LEU 19 HD22 LEU 19 7.255 5.177 -5.047
170 HD23 LEU 19 HD23 LEU 19 5.911 4.026 -4.807
171 H LYS 20 H LYS 20 6.671 0.311 -0.576
172 HA LYS 20 HA LYS 20 5.215 -1.883 -1.995
173 HB2 LYS 20 HB2 LYS 20 7.777 -1.788 -0.327
174 HB3 LYS 20 HB3 LYS 20 6.793 -3.272 -0.368
175 HG2 LYS 20 HG2 LYS 20 6.944 -3.469 -2.770
176 HG3 LYS 20 HG3 LYS 20 7.838 -1.924 -2.927
177 HD2 LYS 20 HD2 LYS 20 9.776 -2.816 -1.774
178 HD3 LYS 20 HD3 LYS 20 8.857 -4.202 -1.122
179 HE2 LYS 20 HE2 LYS 20 8.575 -5.080 -3.512
180 HE3 LYS 20 HE3 LYS 20 9.718 -3.807 -4.040
181 HZ1 LYS 20 HZ1 LYS 20 10.856 -5.934 -3.618
182 HZ2 LYS 20 HZ2 LYS 20 10.234 -5.994 -1.992
183 HZ3 LYS 20 HZ3 LYS 20 11.378 -4.749 -2.440
184 H CYS 21 H CYS 21 4.339 -3.662 -0.652
185 HA CYS 21 HA CYS 21 2.540 -2.405 1.237
186 HB2 CYS 21 HB2 CYS 21 1.898 -4.384 -0.209
187 HB3 CYS 21 HB3 CYS 21 3.109 -5.378 0.659
188 H PHE 22 H PHE 22 2.433 -2.889 3.605
189 HA PHE 22 HA PHE 22 5.128 -3.638 4.700
190 HB2 PHE 22 HB2 PHE 22 4.274 -1.328 5.006
191 HB3 PHE 22 HB3 PHE 22 2.845 -1.945 5.875
192 HD1 PHE 22 HD2 PHE 22 6.647 -2.182 5.921
193 HD2 PHE 22 HD1 PHE 22 3.041 -1.998 8.270
194 HE1 PHE 22 HE2 PHE 22 7.987 -2.257 7.995
195 HE2 PHE 22 HE1 PHE 22 4.394 -1.969 10.331
196 HZ PHE 22 HZ PHE 22 6.868 -2.141 10.207
197 H ARG 23 H ARG 23 3.541 -5.675 3.726
198 HA ARG 23 HA ARG 23 3.330 -7.151 6.220
199 HB2 ARG 23 HB2 ARG 23 0.985 -6.216 5.716
200 HB3 ARG 23 HB3 ARG 23 0.928 -7.325 4.322
201 HG2 ARG 23 HG2 ARG 23 1.779 -9.072 6.237
202 HG3 ARG 23 HG3 ARG 23 0.960 -7.936 7.334
203 HD2 ARG 23 HD2 ARG 23 -0.481 -9.141 4.894
204 HD3 ARG 23 HD3 ARG 23 -0.182 -10.126 6.368
205 HE ARG 23 HE ARG 23 -1.484 -7.827 7.281
206 HH11 ARG 23 HH12 ARG 23 -2.134 -10.753 5.265
207 HH12 ARG 23 HH11 ARG 23 -3.841 -10.728 5.678
208 HH21 ARG 23 HH22 ARG 23 -3.693 -7.890 7.709
209 HH22 ARG 23 HH21 ARG 23 -4.700 -9.173 7.031
210 H CYS 24 H CYS 24 2.524 -7.427 2.585
211 HA CYS 24 HA CYS 24 4.198 -9.908 2.572
212 HB2 CYS 24 HB2 CYS 24 3.047 -10.404 0.461
213 HB3 CYS 24 HB3 CYS 24 1.876 -10.158 1.785
214 H GLY 25 H GLY 25 4.870 -6.588 2.084
215 HA2 GLY 25 HA2 GLY 25 6.588 -5.605 0.927
216 HA3 GLY 25 HA3 GLY 25 7.236 -7.244 0.697
217 H ALA 26 H ALA 26 4.029 -6.992 -0.784
218 HA ALA 26 HA ALA 26 5.431 -7.171 -3.338
219 HB1 ALA 26 HB1 ALA 26 3.261 -7.761 -4.253
220 HB2 ALA 26 HB2 ALA 26 3.543 -8.694 -2.751
221 HB3 ALA 26 HB3 ALA 26 2.421 -7.293 -2.739
222 H ASP 27 H ASP 27 5.553 -5.398 -4.842
223 HA ASP 27 HA ASP 27 4.755 -2.834 -3.959
224 HB2 ASP 27 HB2 ASP 27 6.581 -3.366 -5.669
225 HB3 ASP 27 HB3 ASP 27 5.273 -3.562 -6.873
226 H LYS 28 H LYS 28 3.226 -1.325 -5.052
227 HA LYS 28 HA LYS 28 0.568 -2.259 -5.088
228 HB2 LYS 28 HB2 LYS 28 1.906 0.065 -6.582
229 HB3 LYS 28 HB3 LYS 28 0.138 -0.130 -6.486
230 HG2 LYS 28 HG2 LYS 28 -0.013 0.502 -4.261
231 HG3 LYS 28 HG3 LYS 28 1.511 -0.297 -3.832
232 HD2 LYS 28 HD2 LYS 28 2.077 1.858 -3.398
233 HD3 LYS 28 HD3 LYS 28 2.749 1.683 -5.026
234 HE2 LYS 28 HE2 LYS 28 0.034 2.979 -4.267
235 HE3 LYS 28 HE3 LYS 28 1.562 3.851 -4.534
236 HZ1 LYS 28 HZ1 LYS 28 1.323 2.464 -6.907
237 HZ2 LYS 28 HZ2 LYS 28 0.828 4.099 -6.630
238 HZ3 LYS 28 HZ3 LYS 28 -0.343 2.821 -6.513
239 H PHE 29 H PHE 29 3.070 -2.256 -7.739
240 HA PHE 29 HA PHE 29 0.948 -3.374 -9.547
241 HB2 PHE 29 HB2 PHE 29 2.522 -1.142 -9.879
242 HB3 PHE 29 HB3 PHE 29 3.601 -2.349 -10.596
243 HD1 PHE 29 HD1 PHE 29 0.054 -1.099 -10.481
244 HD2 PHE 29 HD2 PHE 29 3.023 -3.047 -12.913
245 HE1 PHE 29 HE1 PHE 29 -1.402 -0.843 -12.461
246 HE2 PHE 29 HE2 PHE 29 1.574 -2.752 -14.900
247 HZ PHE 29 HZ PHE 29 -0.632 -1.641 -14.682
248 H ASP 30 H ASP 30 2.035 -5.096 -7.520
249 HA ASP 30 HA ASP 30 3.168 -7.099 -9.370
250 HB2 ASP 30 HB2 ASP 30 5.132 -5.771 -8.420
251 HB3 ASP 30 HB3 ASP 30 4.592 -6.260 -6.790
252 HN1 NH2 31 HN1 NH2 31 1.601 -9.463 -7.160
253 HN2 NH2 31 HN2 NH2 31 2.491 -9.248 -8.619
254 H1 AQN 32 H1 AQN 2 1.900 1.414 6.867
255 H5 AQN 32 H5 AQN 2 -3.015 2.618 7.240
256 H6 AQN 32 H6 AQN 2 -5.006 2.996 8.652
257 H7 AQN 32 H7 AQN 2 -4.792 3.031 11.125
258 H8 AQN 32 H8 AQN 2 -2.587 2.708 12.182
259 H12 AQN 32 H12 AQN 2 2.402 1.925 11.762
260 H13 AQN 32 H13 AQN 2 4.396 1.570 10.356
Start of MODEL 2
1 H1 ACE 0 H1 ACE 0 1.928 15.236 -0.274
2 H2 ACE 0 H2 ACE 0 0.872 16.600 0.143
3 H3 ACE 0 H3 ACE 0 1.474 16.432 -1.519
4 H LYS 1 H LYS 1 -0.187 14.385 0.928
5 HA LYS 1 HA LYS 1 -2.584 13.869 0.458
6 HB2 LYS 1 HB2 LYS 1 -2.582 14.608 -1.866
7 HB3 LYS 1 HB3 LYS 1 -1.428 13.332 -2.350
8 HG2 LYS 1 HG2 LYS 1 -3.065 11.577 -1.923
9 HG3 LYS 1 HG3 LYS 1 -4.133 12.702 -1.032
10 HD2 LYS 1 HD2 LYS 1 -5.186 12.291 -3.077
11 HD3 LYS 1 HD3 LYS 1 -4.557 13.941 -3.216
12 HE2 LYS 1 HE2 LYS 1 -3.282 13.372 -5.053
13 HE3 LYS 1 HE3 LYS 1 -2.573 11.954 -4.245
14 HZ1 LYS 1 HZ1 LYS 1 -4.659 10.664 -4.738
15 HZ2 LYS 1 HZ2 LYS 1 -3.834 11.260 -6.184
16 HZ3 LYS 1 HZ3 LYS 1 -5.275 12.044 -5.589
17 H PHE 2 H PHE 2 -2.095 12.257 2.115
18 HA PHE 2 HA PHE 2 -0.405 9.972 1.268
19 HB2 PHE 2 HB2 PHE 2 -0.610 9.215 3.674
20 HB3 PHE 2 HB3 PHE 2 0.332 10.677 3.337
21 HD1 PHE 2 HD1 PHE 2 -2.833 9.451 4.898
22 HD2 PHE 2 HD2 PHE 2 -0.327 12.864 4.119
23 HE1 PHE 2 HE1 PHE 2 -4.331 10.864 6.250
24 HE2 PHE 2 HE2 PHE 2 -1.775 14.247 5.561
25 HZ PHE 2 HZ PHE 2 -3.816 13.270 6.582
26 H GLU 3 H GLU 3 -2.415 9.760 -0.354
27 HA GLU 3 HA GLU 3 -4.872 8.817 0.901
28 HB2 GLU 3 HB2 GLU 3 -4.775 10.200 -1.099
29 HB3 GLU 3 HB3 GLU 3 -3.991 8.881 -2.035
30 HG2 GLU 3 HG2 GLU 3 -6.106 7.548 -1.794
31 HG3 GLU 3 HG3 GLU 3 -6.781 8.809 -0.716
32 H ASP 4 H ASP 4 -3.966 7.014 2.167
33 HA ASP 4 HA ASP 4 -2.562 4.845 1.394
34 HB2 ASP 4 HB2 ASP 4 -4.188 3.468 2.929
35 HB3 ASP 4 HB3 ASP 4 -3.479 4.945 3.636
36 H TRP 5 H TRP 5 -3.116 2.549 0.758
37 HA TRP 5 HA TRP 5 -5.389 2.466 -1.199
38 HB2 TRP 5 HB2 TRP 5 -3.787 1.254 -2.785
39 HB3 TRP 5 HB3 TRP 5 -3.491 2.998 -2.562
40 HD1 TRP 5 HD1 TRP 5 -1.339 3.745 -1.464
41 HE1 TRP 5 HE1 TRP 5 0.880 2.622 -0.826
42 HE3 TRP 5 HE3 TRP 5 -2.811 -1.198 -1.646
43 HZ2 TRP 5 HZ2 TRP 5 1.947 0.094 -0.709
44 HZ3 TRP 5 HZ3 TRP 5 -0.993 -2.940 -1.411
45 HH2 TRP 5 HH2 TRP 5 1.334 -2.277 -1.144
46 H LEU 6 H LEU 6 -5.939 0.223 -1.907
47 HA LEU 6 HA LEU 6 -5.718 -1.431 0.531
48 HB2 LEU 6 HB2 LEU 6 -7.825 -0.309 -0.255
49 HB3 LEU 6 HB3 LEU 6 -7.913 -1.492 -1.582
50 HG LEU 6 HG LEU 6 -7.623 -2.440 1.349
51 HD11 LEU 6 HD11 LEU 6 -10.250 -1.538 0.043
52 HD12 LEU 6 HD12 LEU 6 -9.453 -0.803 1.469
53 HD13 LEU 6 HD13 LEU 6 -10.103 -2.459 1.574
54 HD21 LEU 6 HD21 LEU 6 -7.501 -4.050 -0.634
55 HD22 LEU 6 HD22 LEU 6 -9.194 -3.631 -1.021
56 HD23 LEU 6 HD23 LEU 6 -8.806 -4.397 0.549
57 H CYS 7 H CYS 7 -4.552 -3.395 0.408
58 HA CYS 7 HA CYS 7 -3.087 -3.717 -2.004
59 HB2 CYS 7 HB2 CYS 7 -2.287 -4.361 0.311
60 HB3 CYS 7 HB3 CYS 7 -3.434 -5.732 0.289
61 H ASN 8 H ASN 8 -3.004 -5.546 -3.494
62 HA ASN 8 HA ASN 8 -5.739 -6.714 -3.926
63 HB2 ASN 8 HB2 ASN 8 -4.978 -7.029 -6.259
64 HB3 ASN 8 HB3 ASN 8 -4.907 -5.327 -5.724
65 HD21 ASN 8 HD21 ASN 8 -3.170 -4.664 -7.233
66 HD22 ASN 8 HD22 ASN 8 -1.584 -5.309 -7.065
67 H LYS 9 H LYS 9 -3.612 -7.666 -1.928
68 HA LYS 9 HA LYS 9 -3.548 -10.466 -2.949
69 HB2 LYS 9 HB2 LYS 9 -1.243 -8.964 -2.810
70 HB3 LYS 9 HB3 LYS 9 -1.328 -9.494 -1.121
71 HG2 LYS 9 HG2 LYS 9 -0.108 -11.244 -1.963
72 HG3 LYS 9 HG3 LYS 9 -1.745 -11.920 -2.196
73 HD2 LYS 9 HD2 LYS 9 -1.620 -10.824 -4.602
74 HD3 LYS 9 HD3 LYS 9 0.108 -10.543 -4.241
75 HE2 LYS 9 HE2 LYS 9 -1.363 -13.230 -4.496
76 HE3 LYS 9 HE3 LYS 9 -0.082 -12.566 -5.549
77 HZ1 LYS 9 HZ1 LYS 9 0.914 -14.215 -4.182
78 HZ2 LYS 9 HZ2 LYS 9 0.199 -13.613 -2.725
79 HZ3 LYS 9 HZ3 LYS 9 1.455 -12.684 -3.537
80 H CYS 10 H CYS 10 -2.979 -8.449 0.094
81 HA CYS 10 HA CYS 10 -4.512 -10.540 1.587
82 HB2 CYS 10 HB2 CYS 10 -3.271 -9.685 3.513
83 HB3 CYS 10 HB3 CYS 10 -2.114 -10.106 2.215
84 H CYS 11 H CYS 11 -5.262 -7.592 0.047
85 HA CYS 11 HA CYS 11 -6.841 -6.059 0.459
86 HB2 CYS 11 HB2 CYS 11 -7.804 -8.648 1.365
87 HB3 CYS 11 HB3 CYS 11 -8.516 -7.401 2.415
88 HG CYS 11 HG CYS 11 -8.633 -7.451 -0.670
89 H LEU 12 H LEU 12 -4.406 -5.970 2.404
90 HA LEU 12 HA LEU 12 -5.715 -4.699 4.690
91 HB2 LEU 12 HB2 LEU 12 -3.533 -5.945 4.920
92 HB3 LEU 12 HB3 LEU 12 -2.773 -4.774 3.856
93 HG LEU 12 HG LEU 12 -3.297 -2.930 5.527
94 HD11 LEU 12 HD11 LEU 12 -3.964 -5.255 7.446
95 HD12 LEU 12 HD12 LEU 12 -5.175 -4.088 6.849
96 HD13 LEU 12 HD13 LEU 12 -3.839 -3.531 7.874
97 HD21 LEU 12 HD21 LEU 12 -1.569 -5.149 6.686
98 HD22 LEU 12 HD22 LEU 12 -1.475 -3.404 7.036
99 HD23 LEU 12 HD23 LEU 12 -1.050 -3.998 5.410
100 H ASN 13 H ASN 13 -5.590 -2.320 5.079
101 HA ASN 13 HA ASN 13 -5.286 -0.783 2.592
102 HB2 ASN 13 HB2 ASN 13 -7.183 -0.585 4.417
103 HB3 ASN 13 HB3 ASN 13 -5.992 0.419 5.282
104 HD21 ASN 13 HD21 ASN 13 -6.546 2.673 4.747
105 HD22 ASN 13 HD22 ASN 13 -7.118 3.128 3.181
106 H ASN 14 H ASN 14 -3.212 0.280 2.157
107 HA ASN 14 HA ASN 14 -1.316 0.280 4.501
108 HB2 ASN 14 HB2 ASN 14 -0.694 -0.037 1.512
109 HB3 ASN 14 HB3 ASN 14 0.501 0.066 2.835
110 HD21 ASN 14 HD21 ASN 14 -2.253 -1.956 1.549
111 HD22 ASN 14 HD22 ASN 14 -1.715 -3.368 2.378
112 H PHE 15 H PHE 15 0.089 2.188 4.666
113 HA PHE 15 HA PHE 15 -1.138 4.530 3.753
114 HB2 PHE 15 HB2 PHE 15 1.750 4.083 4.672
115 HB3 PHE 15 HB3 PHE 15 1.126 5.694 4.257
116 HD1 PHE 15 HD1 PHE 15 -1.233 6.362 5.306
117 HD2 PHE 15 HD2 PHE 15 1.566 3.589 7.039
118 HE1 PHE 15 HE1 PHE 15 -2.383 6.555 7.477
119 HE2 PHE 15 HE2 PHE 15 0.450 3.846 9.229
120 HZ PHE 15 HZ PHE 15 -1.555 5.283 9.444
121 H ARG 16 H ARG 16 -0.327 6.230 2.310
122 HA ARG 16 HA ARG 16 0.109 5.027 -0.294
123 HB2 ARG 16 HB2 ARG 16 -1.294 7.080 0.359
124 HB3 ARG 16 HB3 ARG 16 0.251 7.939 0.517
125 HG2 ARG 16 HG2 ARG 16 -0.098 6.554 -2.166
126 HG3 ARG 16 HG3 ARG 16 -1.426 7.657 -1.771
127 HD2 ARG 16 HD2 ARG 16 -0.090 9.100 -2.889
128 HD3 ARG 16 HD3 ARG 16 0.393 9.425 -1.195
129 HE ARG 16 HE ARG 16 2.141 7.456 -2.336
130 HH11 ARG 16 HH12 ARG 16 1.342 10.972 -2.566
131 HH12 ARG 16 HH11 ARG 16 2.934 11.358 -3.191
132 HH21 ARG 16 HH22 ARG 16 4.137 8.072 -3.174
133 HH22 ARG 16 HH21 ARG 16 4.484 9.764 -3.528
134 H LYS 17 H LYS 17 2.119 6.923 2.058
135 HA LYS 17 HA LYS 17 4.373 7.218 0.336
136 HB2 LYS 17 HB2 LYS 17 4.164 6.766 3.393
137 HB3 LYS 17 HB3 LYS 17 5.720 6.907 2.530
138 HG2 LYS 17 HG2 LYS 17 5.096 9.133 1.645
139 HG3 LYS 17 HG3 LYS 17 3.545 9.091 2.536
140 HD2 LYS 17 HD2 LYS 17 4.692 9.120 4.692
141 HD3 LYS 17 HD3 LYS 17 6.274 8.766 3.937
142 HE2 LYS 17 HE2 LYS 17 6.224 10.975 2.748
143 HE3 LYS 17 HE3 LYS 17 4.693 11.373 3.585
144 HZ1 LYS 17 HZ1 LYS 17 7.363 10.768 4.903
145 HZ2 LYS 17 HZ2 LYS 17 5.879 11.181 5.739
146 HZ3 LYS 17 HZ3 LYS 17 6.657 12.343 4.689
147 H ARG 18 H ARG 18 3.120 4.376 2.247
148 HA ARG 18 HA ARG 18 5.529 2.897 1.810
149 HB2 ARG 18 HB2 ARG 18 2.694 1.925 2.404
150 HB3 ARG 18 HB3 ARG 18 4.107 0.856 2.270
151 HG2 ARG 18 HG2 ARG 18 4.192 3.204 4.212
152 HG3 ARG 18 HG3 ARG 18 3.321 1.716 4.644
153 HD2 ARG 18 HD2 ARG 18 5.684 1.590 5.518
154 HD3 ARG 18 HD3 ARG 18 5.262 0.322 4.375
155 HE ARG 18 HE ARG 18 6.885 0.983 2.954
156 HH11 ARG 18 HH12 ARG 18 6.253 3.733 5.208
157 HH12 ARG 18 HH11 ARG 18 7.616 4.639 4.579
158 HH21 ARG 18 HH22 ARG 18 8.589 2.237 2.226
159 HH22 ARG 18 HH21 ARG 18 8.913 3.816 2.933
160 H LEU 19 H LEU 19 6.244 2.846 -0.372
161 HA LEU 19 HA LEU 19 4.447 2.483 -2.514
162 HB2 LEU 19 HB2 LEU 19 6.226 2.106 -3.938
163 HB3 LEU 19 HB3 LEU 19 6.886 3.225 -2.724
164 HG LEU 19 HG LEU 19 7.364 0.183 -2.918
165 HD11 LEU 19 HD11 LEU 19 9.647 0.755 -3.637
166 HD12 LEU 19 HD12 LEU 19 9.274 2.501 -3.521
167 HD13 LEU 19 HD13 LEU 19 8.454 1.481 -4.743
168 HD21 LEU 19 HD21 LEU 19 7.613 0.866 -0.517
169 HD22 LEU 19 HD22 LEU 19 8.667 2.225 -1.004
170 HD23 LEU 19 HD23 LEU 19 9.199 0.532 -1.225
171 H LYS 20 H LYS 20 5.481 0.049 -0.095
172 HA LYS 20 HA LYS 20 4.287 -2.029 -1.876
173 HB2 LYS 20 HB2 LYS 20 6.640 -2.338 0.083
174 HB3 LYS 20 HB3 LYS 20 5.742 -3.670 -0.677
175 HG2 LYS 20 HG2 LYS 20 6.515 -2.121 -2.913
176 HG3 LYS 20 HG3 LYS 20 7.913 -1.978 -1.804
177 HD2 LYS 20 HD2 LYS 20 7.789 -4.587 -1.605
178 HD3 LYS 20 HD3 LYS 20 6.565 -4.503 -2.911
179 HE2 LYS 20 HE2 LYS 20 8.496 -4.930 -4.150
180 HE3 LYS 20 HE3 LYS 20 8.474 -3.146 -4.214
181 HZ1 LYS 20 HZ1 LYS 20 10.065 -3.179 -2.253
182 HZ2 LYS 20 HZ2 LYS 20 10.690 -3.976 -3.680
183 HZ3 LYS 20 HZ3 LYS 20 10.087 -4.928 -2.359
184 H CYS 21 H CYS 21 3.342 -3.871 -0.570
185 HA CYS 21 HA CYS 21 1.642 -2.651 1.400
186 HB2 CYS 21 HB2 CYS 21 0.937 -4.575 -0.038
187 HB3 CYS 21 HB3 CYS 21 2.163 -5.616 0.753
188 H PHE 22 H PHE 22 1.604 -3.133 3.770
189 HA PHE 22 HA PHE 22 4.271 -4.038 4.806
190 HB2 PHE 22 HB2 PHE 22 3.565 -1.681 5.250
191 HB3 PHE 22 HB3 PHE 22 2.120 -2.281 6.101
192 HD1 PHE 22 HD1 PHE 22 5.899 -2.804 6.080
193 HD2 PHE 22 HD2 PHE 22 2.354 -2.369 8.484
194 HE1 PHE 22 HE1 PHE 22 7.252 -3.052 8.126
195 HE2 PHE 22 HE2 PHE 22 3.730 -2.502 10.523
196 HZ PHE 22 HZ PHE 22 6.177 -2.882 10.358
197 H ARG 23 H ARG 23 2.462 -5.915 3.809
198 HA ARG 23 HA ARG 23 2.224 -7.447 6.299
199 HB2 ARG 23 HB2 ARG 23 -0.185 -6.529 5.355
200 HB3 ARG 23 HB3 ARG 23 -0.029 -7.966 4.331
201 HG2 ARG 23 HG2 ARG 23 0.620 -9.188 6.605
202 HG3 ARG 23 HG3 ARG 23 -0.220 -7.817 7.384
203 HD2 ARG 23 HD2 ARG 23 -1.377 -9.740 5.277
204 HD3 ARG 23 HD3 ARG 23 -1.526 -9.948 7.056
205 HE ARG 23 HE ARG 23 -2.629 -7.436 6.481
206 HH11 ARG 23 HH12 ARG 23 -3.297 -10.908 5.819
207 HH12 ARG 23 HH11 ARG 23 -5.023 -10.629 5.688
208 HH21 ARG 23 HH22 ARG 23 -4.899 -7.208 6.324
209 HH22 ARG 23 HH21 ARG 23 -5.905 -8.594 5.944
210 H CYS 24 H CYS 24 1.621 -7.708 2.667
211 HA CYS 24 HA CYS 24 3.222 -10.226 2.723
212 HB2 CYS 24 HB2 CYS 24 2.167 -10.632 0.517
213 HB3 CYS 24 HB3 CYS 24 0.951 -10.374 1.805
214 H GLY 25 H GLY 25 3.901 -6.858 2.125
215 HA2 GLY 25 HA2 GLY 25 5.725 -5.950 1.072
216 HA3 GLY 25 HA3 GLY 25 6.380 -7.599 0.950
217 H ALA 26 H ALA 26 3.235 -7.289 -0.669
218 HA ALA 26 HA ALA 26 4.672 -7.363 -3.249
219 HB1 ALA 26 HB1 ALA 26 1.659 -7.470 -2.638
220 HB2 ALA 26 HB2 ALA 26 2.449 -7.796 -4.211
221 HB3 ALA 26 HB3 ALA 26 2.731 -8.896 -2.825
222 H ASP 27 H ASP 27 3.835 -5.772 -5.017
223 HA ASP 27 HA ASP 27 3.521 -3.089 -3.758
224 HB2 ASP 27 HB2 ASP 27 5.371 -3.494 -5.391
225 HB3 ASP 27 HB3 ASP 27 4.144 -3.818 -6.653
226 H LYS 28 H LYS 28 1.600 -1.791 -4.286
227 HA LYS 28 HA LYS 28 -0.781 -3.167 -4.848
228 HB2 LYS 28 HB2 LYS 28 -1.750 -0.997 -5.625
229 HB3 LYS 28 HB3 LYS 28 -0.959 -0.860 -4.038
230 HG2 LYS 28 HG2 LYS 28 0.820 0.464 -4.838
231 HG3 LYS 28 HG3 LYS 28 0.717 -0.199 -6.476
232 HD2 LYS 28 HD2 LYS 28 0.104 2.008 -6.674
233 HD3 LYS 28 HD3 LYS 28 -1.371 1.053 -6.955
234 HE2 LYS 28 HE2 LYS 28 -2.322 1.721 -4.848
235 HE3 LYS 28 HE3 LYS 28 -0.740 2.243 -4.185
236 HZ1 LYS 28 HZ1 LYS 28 -2.114 3.588 -6.515
237 HZ2 LYS 28 HZ2 LYS 28 -0.641 4.094 -5.710
238 HZ3 LYS 28 HZ3 LYS 28 -2.151 4.146 -4.851
239 H PHE 29 H PHE 29 1.798 -2.126 -7.169
240 HA PHE 29 HA PHE 29 -0.075 -2.868 -9.396
241 HB2 PHE 29 HB2 PHE 29 1.137 -0.418 -8.872
242 HB3 PHE 29 HB3 PHE 29 2.385 -1.171 -9.870
243 HD1 PHE 29 HD2 PHE 29 -1.288 -0.429 -9.560
244 HD2 PHE 29 HD1 PHE 29 1.927 -1.212 -12.311
245 HE1 PHE 29 HE2 PHE 29 -2.730 0.271 -11.444
246 HE2 PHE 29 HE1 PHE 29 0.487 -0.491 -14.190
247 HZ PHE 29 HZ PHE 29 -1.840 0.259 -13.761
248 H ASP 30 H ASP 30 1.546 -4.763 -7.682
249 HA ASP 30 HA ASP 30 2.890 -6.540 -8.024
250 HB2 ASP 30 HB2 ASP 30 2.412 -6.047 -11.017
251 HB3 ASP 30 HB3 ASP 30 3.135 -7.492 -10.265
252 HN1 NH2 31 HN1 NH2 31 5.734 -4.341 -10.106
253 HN2 NH2 31 HN2 NH2 31 4.136 -4.317 -10.734
254 H1 AQN 32 H1 AQN 2 1.406 1.042 7.072
255 H5 AQN 32 H5 AQN 2 -3.462 1.270 7.241
256 H6 AQN 32 H6 AQN 2 -5.569 1.122 8.535
257 H7 AQN 32 H7 AQN 2 -5.483 0.920 11.019
258 H8 AQN 32 H8 AQN 2 -3.296 0.888 12.158
259 H12 AQN 32 H12 AQN 2 1.559 1.070 12.025
260 H13 AQN 32 H13 AQN 2 3.649 1.208 10.705
Start of MODEL 3
1 H1 ACE 0 H1 ACE 0 -0.204 16.831 -0.898
2 H2 ACE 0 H2 ACE 0 0.926 15.608 -0.285
3 H3 ACE 0 H3 ACE 0 0.037 16.632 0.860
4 H LYS 1 H LYS 1 -0.696 14.503 -1.946
5 HA LYS 1 HA LYS 1 -3.310 13.787 -0.842
6 HB2 LYS 1 HB2 LYS 1 -2.765 13.921 -3.292
7 HB3 LYS 1 HB3 LYS 1 -1.661 12.543 -3.114
8 HG2 LYS 1 HG2 LYS 1 -4.221 11.699 -1.978
9 HG3 LYS 1 HG3 LYS 1 -4.592 12.625 -3.450
10 HD2 LYS 1 HD2 LYS 1 -2.741 11.076 -4.605
11 HD3 LYS 1 HD3 LYS 1 -2.886 10.101 -3.120
12 HE2 LYS 1 HE2 LYS 1 -4.271 9.136 -4.849
13 HE3 LYS 1 HE3 LYS 1 -5.390 9.839 -3.644
14 HZ1 LYS 1 HZ1 LYS 1 -5.962 11.621 -5.106
15 HZ2 LYS 1 HZ2 LYS 1 -5.910 10.204 -6.102
16 HZ3 LYS 1 HZ3 LYS 1 -4.583 11.327 -6.145
17 H PHE 2 H PHE 2 -2.970 12.650 1.254
18 HA PHE 2 HA PHE 2 -0.921 10.453 1.192
19 HB2 PHE 2 HB2 PHE 2 -0.969 12.470 2.882
20 HB3 PHE 2 HB3 PHE 2 -2.303 11.598 3.670
21 HD1 PHE 2 HD1 PHE 2 1.215 11.314 2.382
22 HD2 PHE 2 HD2 PHE 2 -1.669 9.666 5.119
23 HE1 PHE 2 HE1 PHE 2 3.011 10.077 3.525
24 HE2 PHE 2 HE2 PHE 2 0.140 8.433 6.267
25 HZ PHE 2 HZ PHE 2 2.478 8.593 5.445
26 H GLU 3 H GLU 3 -3.227 9.943 -0.294
27 HA GLU 3 HA GLU 3 -5.241 8.715 1.432
28 HB2 GLU 3 HB2 GLU 3 -5.742 9.996 -0.640
29 HB3 GLU 3 HB3 GLU 3 -4.908 8.742 -1.604
30 HG2 GLU 3 HG2 GLU 3 -6.591 7.035 -0.789
31 HG3 GLU 3 HG3 GLU 3 -7.414 8.318 0.145
32 H ASP 4 H ASP 4 -4.062 6.963 2.487
33 HA ASP 4 HA ASP 4 -2.525 4.957 1.486
34 HB2 ASP 4 HB2 ASP 4 -3.892 3.426 3.107
35 HB3 ASP 4 HB3 ASP 4 -3.215 4.931 3.786
36 H TRP 5 H TRP 5 -2.985 2.639 0.799
37 HA TRP 5 HA TRP 5 -5.321 2.541 -1.095
38 HB2 TRP 5 HB2 TRP 5 -3.725 1.285 -2.651
39 HB3 TRP 5 HB3 TRP 5 -3.432 3.029 -2.456
40 HD1 TRP 5 HD1 TRP 5 -1.249 3.827 -1.414
41 HE1 TRP 5 HE1 TRP 5 0.986 2.740 -0.881
42 HE3 TRP 5 HE3 TRP 5 -2.627 -1.149 -1.601
43 HZ2 TRP 5 HZ2 TRP 5 2.090 0.242 -0.684
44 HZ3 TRP 5 HZ3 TRP 5 -0.802 -2.861 -1.342
45 HH2 TRP 5 HH2 TRP 5 1.519 -2.165 -1.044
46 H LEU 6 H LEU 6 -6.126 0.360 -1.609
47 HA LEU 6 HA LEU 6 -5.528 -1.512 0.605
48 HB2 LEU 6 HB2 LEU 6 -7.743 -1.516 -1.510
49 HB3 LEU 6 HB3 LEU 6 -7.175 -3.031 -0.775
50 HG LEU 6 HG LEU 6 -7.587 -1.936 1.560
51 HD11 LEU 6 HD11 LEU 6 -9.180 -0.122 1.686
52 HD12 LEU 6 HD12 LEU 6 -9.535 -0.188 -0.070
53 HD13 LEU 6 HD13 LEU 6 -7.954 0.423 0.490
54 HD21 LEU 6 HD21 LEU 6 -9.927 -2.682 -0.283
55 HD22 LEU 6 HD22 LEU 6 -9.970 -2.627 1.513
56 HD23 LEU 6 HD23 LEU 6 -8.905 -3.791 0.683
57 H CYS 7 H CYS 7 -4.536 -3.553 0.299
58 HA CYS 7 HA CYS 7 -2.849 -3.718 -2.081
59 HB2 CYS 7 HB2 CYS 7 -2.159 -4.432 0.255
60 HB3 CYS 7 HB3 CYS 7 -3.378 -5.739 0.184
61 H ASN 8 H ASN 8 -2.930 -5.601 -3.605
62 HA ASN 8 HA ASN 8 -5.744 -6.655 -3.890
63 HB2 ASN 8 HB2 ASN 8 -5.177 -6.974 -6.276
64 HB3 ASN 8 HB3 ASN 8 -5.104 -5.276 -5.758
65 HD21 ASN 8 HD21 ASN 8 -3.176 -4.160 -6.496
66 HD22 ASN 8 HD22 ASN 8 -1.705 -4.984 -6.862
67 H LYS 9 H LYS 9 -3.998 -7.704 -1.926
68 HA LYS 9 HA LYS 9 -3.719 -10.438 -2.994
69 HB2 LYS 9 HB2 LYS 9 -1.553 -8.788 -3.116
70 HB3 LYS 9 HB3 LYS 9 -1.346 -9.300 -1.428
71 HG2 LYS 9 HG2 LYS 9 -1.546 -11.109 -3.898
72 HG3 LYS 9 HG3 LYS 9 -0.034 -10.655 -3.061
73 HD2 LYS 9 HD2 LYS 9 -0.839 -11.751 -0.960
74 HD3 LYS 9 HD3 LYS 9 -2.303 -12.337 -1.807
75 HE2 LYS 9 HE2 LYS 9 0.591 -13.026 -2.617
76 HE3 LYS 9 HE3 LYS 9 -0.460 -14.051 -1.601
77 HZ1 LYS 9 HZ1 LYS 9 -0.966 -13.331 -4.507
78 HZ2 LYS 9 HZ2 LYS 9 -2.060 -14.225 -3.461
79 HZ3 LYS 9 HZ3 LYS 9 -0.475 -14.848 -3.854
80 H CYS 10 H CYS 10 -2.992 -8.419 0.013
81 HA CYS 10 HA CYS 10 -4.635 -10.410 1.531
82 HB2 CYS 10 HB2 CYS 10 -3.435 -9.624 3.509
83 HB3 CYS 10 HB3 CYS 10 -2.244 -10.063 2.244
84 H CYS 11 H CYS 11 -5.234 -7.411 0.016
85 HA CYS 11 HA CYS 11 -6.843 -5.872 0.362
86 HB2 CYS 11 HB2 CYS 11 -7.933 -8.253 0.600
87 HB3 CYS 11 HB3 CYS 11 -8.106 -7.853 2.332
88 HG CYS 11 HG CYS 11 -9.337 -6.338 -0.053
89 H LEU 12 H LEU 12 -4.490 -5.544 2.240
90 HA LEU 12 HA LEU 12 -5.929 -4.427 4.601
91 HB2 LEU 12 HB2 LEU 12 -4.169 -6.010 5.029
92 HB3 LEU 12 HB3 LEU 12 -2.957 -5.039 4.165
93 HG LEU 12 HG LEU 12 -4.515 -4.021 6.621
94 HD11 LEU 12 HD11 LEU 12 -2.521 -4.567 7.993
95 HD12 LEU 12 HD12 LEU 12 -1.747 -5.337 6.577
96 HD13 LEU 12 HD13 LEU 12 -3.236 -6.022 7.275
97 HD21 LEU 12 HD21 LEU 12 -3.474 -2.032 6.162
98 HD22 LEU 12 HD22 LEU 12 -2.522 -2.743 4.824
99 HD23 LEU 12 HD23 LEU 12 -1.910 -2.788 6.488
100 H ASN 13 H ASN 13 -5.695 -2.163 5.132
101 HA ASN 13 HA ASN 13 -5.299 -0.471 2.791
102 HB2 ASN 13 HB2 ASN 13 -7.121 -0.144 4.453
103 HB3 ASN 13 HB3 ASN 13 -5.926 0.207 5.729
104 HD21 ASN 13 HD21 ASN 13 -6.931 1.280 2.410
105 HD22 ASN 13 HD22 ASN 13 -6.594 2.942 2.655
106 H ASN 14 H ASN 14 -2.989 -0.278 2.235
107 HA ASN 14 HA ASN 14 -1.119 0.070 4.521
108 HB2 ASN 14 HB2 ASN 14 -0.517 -0.301 1.542
109 HB3 ASN 14 HB3 ASN 14 0.669 -0.270 2.873
110 HD21 ASN 14 HD21 ASN 14 -1.995 -2.228 1.394
111 HD22 ASN 14 HD22 ASN 14 -1.790 -3.582 2.437
112 H PHE 15 H PHE 15 0.385 1.938 4.613
113 HA PHE 15 HA PHE 15 -0.957 4.290 3.870
114 HB2 PHE 15 HB2 PHE 15 1.951 3.862 4.741
115 HB3 PHE 15 HB3 PHE 15 1.364 5.473 4.283
116 HD1 PHE 15 HD1 PHE 15 -0.940 6.250 5.288
117 HD2 PHE 15 HD2 PHE 15 1.716 3.406 7.128
118 HE1 PHE 15 HE1 PHE 15 -1.975 6.704 7.481
119 HE2 PHE 15 HE2 PHE 15 0.709 3.911 9.331
120 HZ PHE 15 HZ PHE 15 -1.167 5.520 9.508
121 H ARG 16 H ARG 16 -0.293 6.047 2.408
122 HA ARG 16 HA ARG 16 0.378 4.951 -0.195
123 HB2 ARG 16 HB2 ARG 16 -1.239 6.695 -0.068
124 HB3 ARG 16 HB3 ARG 16 -0.113 7.822 0.756
125 HG2 ARG 16 HG2 ARG 16 1.292 8.040 -1.177
126 HG3 ARG 16 HG3 ARG 16 0.521 6.660 -2.011
127 HD2 ARG 16 HD2 ARG 16 -1.419 8.783 -1.261
128 HD3 ARG 16 HD3 ARG 16 -0.204 9.413 -2.355
129 HE ARG 16 HE ARG 16 -2.347 7.512 -2.933
130 HH11 ARG 16 HH12 ARG 16 1.026 8.366 -3.914
131 HH12 ARG 16 HH11 ARG 16 0.771 7.748 -5.540
132 HH21 ARG 16 HH22 ARG 16 -2.536 6.730 -5.022
133 HH22 ARG 16 HH21 ARG 16 -1.183 6.827 -6.152
134 H LYS 17 H LYS 17 2.176 6.824 2.351
135 HA LYS 17 HA LYS 17 4.407 7.347 0.795
136 HB2 LYS 17 HB2 LYS 17 5.714 7.541 2.731
137 HB3 LYS 17 HB3 LYS 17 4.077 7.923 3.323
138 HG2 LYS 17 HG2 LYS 17 3.943 5.468 4.139
139 HG3 LYS 17 HG3 LYS 17 5.668 5.320 3.634
140 HD2 LYS 17 HD2 LYS 17 6.229 7.265 5.161
141 HD3 LYS 17 HD3 LYS 17 4.561 7.216 5.794
142 HE2 LYS 17 HE2 LYS 17 4.951 5.327 7.067
143 HE3 LYS 17 HE3 LYS 17 5.973 4.542 5.830
144 HZ1 LYS 17 HZ1 LYS 17 6.882 6.787 7.606
145 HZ2 LYS 17 HZ2 LYS 17 7.831 5.971 6.385
146 HZ3 LYS 17 HZ3 LYS 17 7.289 5.079 7.782
147 H ARG 18 H ARG 18 3.368 4.186 2.260
148 HA ARG 18 HA ARG 18 5.904 2.946 1.581
149 HB2 ARG 18 HB2 ARG 18 3.205 1.678 2.285
150 HB3 ARG 18 HB3 ARG 18 4.711 0.806 1.954
151 HG2 ARG 18 HG2 ARG 18 5.301 2.866 3.938
152 HG3 ARG 18 HG3 ARG 18 3.859 1.986 4.466
153 HD2 ARG 18 HD2 ARG 18 5.879 0.827 5.379
154 HD3 ARG 18 HD3 ARG 18 5.009 -0.169 4.218
155 HE ARG 18 HE ARG 18 6.781 -0.220 2.796
156 HH11 ARG 18 HH12 ARG 18 7.331 2.509 5.105
157 HH12 ARG 18 HH11 ARG 18 8.954 2.768 4.489
158 HH21 ARG 18 HH22 ARG 18 8.845 0.219 2.094
159 HH22 ARG 18 HH21 ARG 18 9.798 1.507 2.835
160 H LEU 19 H LEU 19 6.451 2.332 -0.577
161 HA LEU 19 HA LEU 19 4.386 2.264 -2.654
162 HB2 LEU 19 HB2 LEU 19 7.281 1.222 -2.514
163 HB3 LEU 19 HB3 LEU 19 6.284 1.121 -3.983
164 HG LEU 19 HG LEU 19 6.720 3.844 -2.617
165 HD11 LEU 19 HD11 LEU 19 8.995 2.944 -2.962
166 HD12 LEU 19 HD12 LEU 19 8.659 4.226 -4.160
167 HD13 LEU 19 HD13 LEU 19 8.598 2.501 -4.656
168 HD21 LEU 19 HD21 LEU 19 6.219 3.044 -5.557
169 HD22 LEU 19 HD22 LEU 19 6.330 4.712 -4.913
170 HD23 LEU 19 HD23 LEU 19 4.965 3.666 -4.440
171 H LYS 20 H LYS 20 5.951 -0.113 -0.385
172 HA LYS 20 HA LYS 20 4.457 -2.285 -1.795
173 HB2 LYS 20 HB2 LYS 20 6.873 -2.260 0.062
174 HB3 LYS 20 HB3 LYS 20 6.052 -3.760 -0.412
175 HG2 LYS 20 HG2 LYS 20 6.734 -3.681 -2.630
176 HG3 LYS 20 HG3 LYS 20 6.737 -1.897 -2.700
177 HD2 LYS 20 HD2 LYS 20 8.798 -1.700 -1.492
178 HD3 LYS 20 HD3 LYS 20 8.884 -3.460 -1.170
179 HE2 LYS 20 HE2 LYS 20 9.388 -3.983 -3.426
180 HE3 LYS 20 HE3 LYS 20 8.681 -2.472 -4.069
181 HZ1 LYS 20 HZ1 LYS 20 10.489 -1.171 -3.219
182 HZ2 LYS 20 HZ2 LYS 20 11.138 -2.493 -4.161
183 HZ3 LYS 20 HZ3 LYS 20 11.195 -2.556 -2.410
184 H CYS 21 H CYS 21 3.581 -4.063 -0.403
185 HA CYS 21 HA CYS 21 1.736 -2.781 1.440
186 HB2 CYS 21 HB2 CYS 21 1.065 -4.685 -0.018
187 HB3 CYS 21 HB3 CYS 21 2.253 -5.752 0.794
188 H PHE 22 H PHE 22 1.605 -3.297 3.807
189 HA PHE 22 HA PHE 22 4.259 -4.126 4.941
190 HB2 PHE 22 HB2 PHE 22 3.449 -1.798 5.312
191 HB3 PHE 22 HB3 PHE 22 2.000 -2.423 6.140
192 HD1 PHE 22 HD2 PHE 22 5.791 -2.755 6.212
193 HD2 PHE 22 HD1 PHE 22 2.171 -2.552 8.535
194 HE1 PHE 22 HE2 PHE 22 7.106 -2.954 8.294
195 HE2 PHE 22 HE1 PHE 22 3.503 -2.642 10.607
196 HZ PHE 22 HZ PHE 22 5.968 -2.883 10.498
197 H ARG 23 H ARG 23 2.770 -6.119 3.917
198 HA ARG 23 HA ARG 23 2.343 -7.628 6.346
199 HB2 ARG 23 HB2 ARG 23 0.009 -6.589 5.691
200 HB3 ARG 23 HB3 ARG 23 0.015 -7.764 4.363
201 HG2 ARG 23 HG2 ARG 23 0.714 -9.451 6.363
202 HG3 ARG 23 HG3 ARG 23 -0.064 -8.214 7.384
203 HD2 ARG 23 HD2 ARG 23 -1.434 -9.513 4.955
204 HD3 ARG 23 HD3 ARG 23 -1.387 -10.385 6.461
205 HE ARG 23 HE ARG 23 -3.189 -8.256 5.744
206 HH11 ARG 23 HH12 ARG 23 -1.488 -9.675 8.601
207 HH12 ARG 23 HH11 ARG 23 -2.830 -9.282 9.664
208 HH21 ARG 23 HH22 ARG 23 -4.848 -7.848 7.199
209 HH22 ARG 23 HH21 ARG 23 -4.668 -8.255 8.906
210 H CYS 24 H CYS 24 1.680 -7.789 2.708
211 HA CYS 24 HA CYS 24 3.273 -10.324 2.692
212 HB2 CYS 24 HB2 CYS 24 2.039 -10.838 0.614
213 HB3 CYS 24 HB3 CYS 24 0.912 -10.531 1.971
214 H GLY 25 H GLY 25 3.985 -7.044 2.176
215 HA2 GLY 25 HA2 GLY 25 5.663 -6.074 0.968
216 HA3 GLY 25 HA3 GLY 25 6.294 -7.723 0.739
217 H ALA 26 H ALA 26 3.094 -7.476 -0.722
218 HA ALA 26 HA ALA 26 4.458 -7.501 -3.331
219 HB1 ALA 26 HB1 ALA 26 1.460 -7.649 -2.648
220 HB2 ALA 26 HB2 ALA 26 2.213 -7.939 -4.247
221 HB3 ALA 26 HB3 ALA 26 2.554 -9.053 -2.881
222 H ASP 27 H ASP 27 4.122 -5.765 -4.962
223 HA ASP 27 HA ASP 27 3.518 -3.203 -3.655
224 HB2 ASP 27 HB2 ASP 27 5.411 -3.542 -5.328
225 HB3 ASP 27 HB3 ASP 27 4.162 -3.629 -6.604
226 H LYS 28 H LYS 28 1.695 -1.807 -4.288
227 HA LYS 28 HA LYS 28 -0.708 -3.124 -4.910
228 HB2 LYS 28 HB2 LYS 28 -1.601 -0.913 -5.622
229 HB3 LYS 28 HB3 LYS 28 -0.777 -0.821 -4.047
230 HG2 LYS 28 HG2 LYS 28 1.077 0.415 -4.913
231 HG3 LYS 28 HG3 LYS 28 0.843 -0.204 -6.547
232 HD2 LYS 28 HD2 LYS 28 0.314 2.090 -6.591
233 HD3 LYS 28 HD3 LYS 28 -1.201 1.197 -6.871
234 HE2 LYS 28 HE2 LYS 28 -2.074 1.774 -4.719
235 HE3 LYS 28 HE3 LYS 28 -0.453 2.103 -4.032
236 HZ1 LYS 28 HZ1 LYS 28 -0.207 4.085 -5.368
237 HZ2 LYS 28 HZ2 LYS 28 -1.695 4.168 -4.483
238 HZ3 LYS 28 HZ3 LYS 28 -1.716 3.788 -6.197
239 H PHE 29 H PHE 29 1.960 -2.164 -7.185
240 HA PHE 29 HA PHE 29 0.073 -2.717 -9.454
241 HB2 PHE 29 HB2 PHE 29 1.510 -0.385 -8.819
242 HB3 PHE 29 HB3 PHE 29 2.588 -1.168 -9.965
243 HD1 PHE 29 HD1 PHE 29 1.116 -2.251 -12.091
244 HD2 PHE 29 HD2 PHE 29 -0.043 1.133 -9.691
245 HE1 PHE 29 HE1 PHE 29 -0.275 -1.402 -13.944
246 HE2 PHE 29 HE2 PHE 29 -1.397 1.989 -11.557
247 HZ PHE 29 HZ PHE 29 -1.522 0.729 -13.694
248 H ASP 30 H ASP 30 1.542 -4.807 -7.833
249 HA ASP 30 HA ASP 30 3.003 -6.518 -8.134
250 HB2 ASP 30 HB2 ASP 30 1.931 -6.009 -10.879
251 HB3 ASP 30 HB3 ASP 30 3.497 -6.861 -10.835
252 HN1 NH2 31 HN1 NH2 31 5.831 -4.280 -10.167
253 HN2 NH2 31 HN2 NH2 31 4.273 -4.419 -10.883
254 H1 AQN 32 H1 AQN 2 1.166 0.794 7.121
255 H5 AQN 32 H5 AQN 2 -3.765 1.980 7.307
256 H6 AQN 32 H6 AQN 2 -5.824 2.280 8.634
257 H7 AQN 32 H7 AQN 2 -5.731 2.223 11.114
258 H8 AQN 32 H8 AQN 2 -3.576 1.878 12.264
259 H12 AQN 32 H12 AQN 2 1.442 1.135 12.047
260 H13 AQN 32 H13 AQN 2 3.500 0.855 10.721
Start of MODEL 4
1 H1 ACE 0 H1 ACE 0 0.909 11.433 6.916
2 H2 ACE 0 H2 ACE 0 0.881 12.601 5.580
3 H3 ACE 0 H3 ACE 0 2.126 11.337 5.613
4 H LYS 1 H LYS 1 -1.460 11.564 5.843
5 HA LYS 1 HA LYS 1 -1.716 8.973 4.427
6 HB2 LYS 1 HB2 LYS 1 -3.143 9.525 6.377
7 HB3 LYS 1 HB3 LYS 1 -3.819 10.919 5.504
8 HG2 LYS 1 HG2 LYS 1 -4.102 8.594 3.755
9 HG3 LYS 1 HG3 LYS 1 -4.585 8.074 5.389
10 HD2 LYS 1 HD2 LYS 1 -6.146 10.093 5.502
11 HD3 LYS 1 HD3 LYS 1 -5.706 10.457 3.802
12 HE2 LYS 1 HE2 LYS 1 -6.577 8.159 3.143
13 HE3 LYS 1 HE3 LYS 1 -7.060 7.887 4.846
14 HZ1 LYS 1 HZ1 LYS 1 -8.521 9.889 4.701
15 HZ2 LYS 1 HZ2 LYS 1 -8.959 8.645 3.552
16 HZ3 LYS 1 HZ3 LYS 1 -8.096 10.065 3.017
17 H PHE 2 H PHE 2 -0.748 9.696 2.300
18 HA PHE 2 HA PHE 2 -2.295 11.839 0.902
19 HB2 PHE 2 HB2 PHE 2 0.194 10.267 0.048
20 HB3 PHE 2 HB3 PHE 2 -0.632 11.489 -0.937
21 HD1 PHE 2 HD1 PHE 2 -0.558 13.880 -0.263
22 HD2 PHE 2 HD2 PHE 2 1.467 10.903 2.088
23 HE1 PHE 2 HE1 PHE 2 0.856 15.636 0.753
24 HE2 PHE 2 HE2 PHE 2 2.816 12.671 3.159
25 HZ PHE 2 HZ PHE 2 2.559 15.035 2.454
26 H GLU 3 H GLU 3 -4.160 10.034 1.413
27 HA GLU 3 HA GLU 3 -5.651 8.633 0.475
28 HB2 GLU 3 HB2 GLU 3 -5.502 10.307 -1.303
29 HB3 GLU 3 HB3 GLU 3 -4.324 9.318 -2.208
30 HG2 GLU 3 HG2 GLU 3 -5.940 7.532 -2.556
31 HG3 GLU 3 HG3 GLU 3 -7.086 8.224 -1.375
32 H ASP 4 H ASP 4 -4.486 7.057 1.814
33 HA ASP 4 HA ASP 4 -2.622 5.200 0.912
34 HB2 ASP 4 HB2 ASP 4 -3.778 3.645 2.605
35 HB3 ASP 4 HB3 ASP 4 -3.416 5.274 3.209
36 H TRP 5 H TRP 5 -3.043 2.780 0.313
37 HA TRP 5 HA TRP 5 -5.352 2.591 -1.601
38 HB2 TRP 5 HB2 TRP 5 -3.768 1.308 -3.134
39 HB3 TRP 5 HB3 TRP 5 -3.468 3.061 -2.993
40 HD1 TRP 5 HD1 TRP 5 -1.317 3.845 -1.955
41 HE1 TRP 5 HE1 TRP 5 0.926 2.764 -1.344
42 HE3 TRP 5 HE3 TRP 5 -2.719 -1.122 -2.020
43 HZ2 TRP 5 HZ2 TRP 5 2.011 0.256 -1.095
44 HZ3 TRP 5 HZ3 TRP 5 -0.889 -2.835 -1.742
45 HH2 TRP 5 HH2 TRP 5 1.424 -2.150 -1.386
46 H LEU 6 H LEU 6 -5.888 0.330 -2.246
47 HA LEU 6 HA LEU 6 -5.627 -1.246 0.243
48 HB2 LEU 6 HB2 LEU 6 -7.810 -0.229 -0.874
49 HB3 LEU 6 HB3 LEU 6 -7.787 -1.712 -1.843
50 HG LEU 6 HG LEU 6 -7.453 -2.182 1.150
51 HD11 LEU 6 HD11 LEU 6 -8.848 -0.144 1.298
52 HD12 LEU 6 HD12 LEU 6 -9.769 -1.602 1.765
53 HD13 LEU 6 HD13 LEU 6 -10.039 -0.859 0.157
54 HD21 LEU 6 HD21 LEU 6 -9.560 -3.203 -0.845
55 HD22 LEU 6 HD22 LEU 6 -9.175 -3.827 0.789
56 HD23 LEU 6 HD23 LEU 6 -7.966 -3.968 -0.535
57 H CYS 7 H CYS 7 -4.484 -3.227 0.171
58 HA CYS 7 HA CYS 7 -3.000 -3.680 -2.231
59 HB2 CYS 7 HB2 CYS 7 -2.149 -4.158 0.063
60 HB3 CYS 7 HB3 CYS 7 -3.379 -5.446 0.255
61 H ASN 8 H ASN 8 -2.913 -5.681 -3.561
62 HA ASN 8 HA ASN 8 -5.666 -6.837 -3.872
63 HB2 ASN 8 HB2 ASN 8 -4.061 -5.440 -5.714
64 HB3 ASN 8 HB3 ASN 8 -3.723 -7.122 -6.136
65 HD21 ASN 8 HD21 ASN 8 -6.388 -4.722 -5.499
66 HD22 ASN 8 HD22 ASN 8 -7.524 -5.473 -6.559
67 H LYS 9 H LYS 9 -4.045 -7.739 -1.781
68 HA LYS 9 HA LYS 9 -3.584 -10.532 -2.647
69 HB2 LYS 9 HB2 LYS 9 -1.398 -8.684 -2.431
70 HB3 LYS 9 HB3 LYS 9 -1.417 -9.535 -0.873
71 HG2 LYS 9 HG2 LYS 9 0.105 -10.646 -2.256
72 HG3 LYS 9 HG3 LYS 9 -1.299 -11.735 -2.037
73 HD2 LYS 9 HD2 LYS 9 -2.034 -11.373 -4.327
74 HD3 LYS 9 HD3 LYS 9 -1.051 -9.892 -4.501
75 HE2 LYS 9 HE2 LYS 9 -0.084 -11.821 -5.748
76 HE3 LYS 9 HE3 LYS 9 1.039 -11.147 -4.538
77 HZ1 LYS 9 HZ1 LYS 9 0.600 -13.021 -3.049
78 HZ2 LYS 9 HZ2 LYS 9 1.005 -13.609 -4.624
79 HZ3 LYS 9 HZ3 LYS 9 -0.669 -13.605 -4.112
80 H CYS 10 H CYS 10 -3.002 -8.298 0.214
81 HA CYS 10 HA CYS 10 -4.482 -10.278 1.888
82 HB2 CYS 10 HB2 CYS 10 -3.225 -9.320 3.733
83 HB3 CYS 10 HB3 CYS 10 -2.068 -9.710 2.427
84 H CYS 11 H CYS 11 -5.199 -7.335 0.241
85 HA CYS 11 HA CYS 11 -6.876 -5.886 0.509
86 HB2 CYS 11 HB2 CYS 11 -7.885 -8.290 0.893
87 HB3 CYS 11 HB3 CYS 11 -8.097 -7.773 2.589
88 HG CYS 11 HG CYS 11 -9.323 -6.464 0.076
89 H LEU 12 H LEU 12 -4.510 -5.415 2.289
90 HA LEU 12 HA LEU 12 -5.863 -4.165 4.618
91 HB2 LEU 12 HB2 LEU 12 -3.718 -5.513 4.957
92 HB3 LEU 12 HB3 LEU 12 -2.886 -4.393 3.882
93 HG LEU 12 HG LEU 12 -3.387 -2.486 5.490
94 HD11 LEU 12 HD11 LEU 12 -4.007 -3.024 7.838
95 HD12 LEU 12 HD12 LEU 12 -4.209 -4.752 7.423
96 HD13 LEU 12 HD13 LEU 12 -5.350 -3.528 6.786
97 HD21 LEU 12 HD21 LEU 12 -1.630 -3.007 7.056
98 HD22 LEU 12 HD22 LEU 12 -1.177 -3.650 5.457
99 HD23 LEU 12 HD23 LEU 12 -1.772 -4.756 6.735
100 H ASN 13 H ASN 13 -5.649 -1.763 4.890
101 HA ASN 13 HA ASN 13 -5.187 -0.429 2.312
102 HB2 ASN 13 HB2 ASN 13 -7.117 0.016 3.935
103 HB3 ASN 13 HB3 ASN 13 -5.947 0.960 4.905
104 HD21 ASN 13 HD21 ASN 13 -8.175 2.270 3.907
105 HD22 ASN 13 HD22 ASN 13 -7.757 3.246 2.544
106 H ASN 14 H ASN 14 -3.059 0.486 1.844
107 HA ASN 14 HA ASN 14 -1.185 0.628 4.185
108 HB2 ASN 14 HB2 ASN 14 -0.502 0.062 1.254
109 HB3 ASN 14 HB3 ASN 14 0.620 0.068 2.636
110 HD21 ASN 14 HD21 ASN 14 -2.187 -1.701 1.137
111 HD22 ASN 14 HD22 ASN 14 -2.025 -3.099 2.130
112 H PHE 15 H PHE 15 0.263 2.545 4.199
113 HA PHE 15 HA PHE 15 -1.062 4.782 3.135
114 HB2 PHE 15 HB2 PHE 15 1.842 4.511 4.109
115 HB3 PHE 15 HB3 PHE 15 1.142 6.069 3.618
116 HD1 PHE 15 HD1 PHE 15 -1.298 6.573 4.642
117 HD2 PHE 15 HD2 PHE 15 1.732 4.155 6.504
118 HE1 PHE 15 HE1 PHE 15 -2.413 6.865 6.819
119 HE2 PHE 15 HE2 PHE 15 0.661 4.530 8.700
120 HZ PHE 15 HZ PHE 15 -1.446 5.821 8.859
121 H ARG 16 H ARG 16 -0.280 6.440 1.569
122 HA ARG 16 HA ARG 16 0.266 5.067 -0.908
123 HB2 ARG 16 HB2 ARG 16 -1.099 7.221 -0.670
124 HB3 ARG 16 HB3 ARG 16 0.470 8.028 -0.384
125 HG2 ARG 16 HG2 ARG 16 1.133 6.722 -2.665
126 HG3 ARG 16 HG3 ARG 16 -0.613 6.698 -2.950
127 HD2 ARG 16 HD2 ARG 16 0.909 9.306 -2.314
128 HD3 ARG 16 HD3 ARG 16 0.931 8.560 -3.950
129 HE ARG 16 HE ARG 16 -1.783 8.846 -3.221
130 HH11 ARG 16 HH12 ARG 16 1.099 10.869 -4.029
131 HH12 ARG 16 HH11 ARG 16 0.108 12.074 -4.832
132 HH21 ARG 16 HH22 ARG 16 -2.947 10.462 -4.292
133 HH22 ARG 16 HH21 ARG 16 -2.118 11.865 -4.971
134 H LYS 17 H LYS 17 2.197 7.199 1.312
135 HA LYS 17 HA LYS 17 4.474 7.358 -0.310
136 HB2 LYS 17 HB2 LYS 17 4.442 7.013 2.764
137 HB3 LYS 17 HB3 LYS 17 5.853 7.452 1.768
138 HG2 LYS 17 HG2 LYS 17 4.518 9.510 0.918
139 HG3 LYS 17 HG3 LYS 17 3.256 9.096 2.100
140 HD2 LYS 17 HD2 LYS 17 4.665 10.864 2.970
141 HD3 LYS 17 HD3 LYS 17 4.889 9.407 3.977
142 HE2 LYS 17 HE2 LYS 17 7.111 9.037 3.134
143 HE3 LYS 17 HE3 LYS 17 6.817 10.000 1.652
144 HZ1 LYS 17 HZ1 LYS 17 6.810 12.035 2.936
145 HZ2 LYS 17 HZ2 LYS 17 8.263 11.133 3.278
146 HZ3 LYS 17 HZ3 LYS 17 6.953 11.152 4.445
147 H ARG 18 H ARG 18 3.362 4.650 1.846
148 HA ARG 18 HA ARG 18 5.716 3.099 1.400
149 HB2 ARG 18 HB2 ARG 18 2.859 2.185 1.985
150 HB3 ARG 18 HB3 ARG 18 4.266 1.108 1.882
151 HG2 ARG 18 HG2 ARG 18 4.097 3.430 3.860
152 HG3 ARG 18 HG3 ARG 18 3.552 1.771 4.191
153 HD2 ARG 18 HD2 ARG 18 5.791 1.759 5.127
154 HD3 ARG 18 HD3 ARG 18 5.923 0.958 3.576
155 HE ARG 18 HE ARG 18 7.401 2.583 2.923
156 HH11 ARG 18 HH12 ARG 18 5.448 3.933 5.661
157 HH12 ARG 18 HH11 ARG 18 6.377 5.424 5.650
158 HH21 ARG 18 HH22 ARG 18 8.481 4.526 3.005
159 HH22 ARG 18 HH21 ARG 18 8.060 5.748 4.205
160 H LEU 19 H LEU 19 6.411 2.866 -0.760
161 HA LEU 19 HA LEU 19 4.616 2.436 -2.943
162 HB2 LEU 19 HB2 LEU 19 6.569 1.547 -4.167
163 HB3 LEU 19 HB3 LEU 19 6.862 3.137 -3.442
164 HG LEU 19 HG LEU 19 7.729 1.019 -1.562
165 HD11 LEU 19 HD11 LEU 19 8.045 -0.382 -3.584
166 HD12 LEU 19 HD12 LEU 19 9.604 0.070 -2.840
167 HD13 LEU 19 HD13 LEU 19 9.052 0.899 -4.328
168 HD21 LEU 19 HD21 LEU 19 8.532 3.454 -1.573
169 HD22 LEU 19 HD22 LEU 19 9.383 3.114 -3.101
170 HD23 LEU 19 HD23 LEU 19 9.852 2.261 -1.602
171 H LYS 20 H LYS 20 5.719 0.180 -0.363
172 HA LYS 20 HA LYS 20 4.416 -2.000 -1.956
173 HB2 LYS 20 HB2 LYS 20 7.031 -1.905 -0.439
174 HB3 LYS 20 HB3 LYS 20 6.001 -3.313 -0.090
175 HG2 LYS 20 HG2 LYS 20 5.868 -3.891 -2.493
176 HG3 LYS 20 HG3 LYS 20 6.849 -2.459 -2.923
177 HD2 LYS 20 HD2 LYS 20 8.781 -3.425 -1.591
178 HD3 LYS 20 HD3 LYS 20 7.735 -4.790 -1.111
179 HE2 LYS 20 HE2 LYS 20 9.003 -5.713 -2.864
180 HE3 LYS 20 HE3 LYS 20 7.470 -5.285 -3.665
181 HZ1 LYS 20 HZ1 LYS 20 8.602 -3.165 -4.465
182 HZ2 LYS 20 HZ2 LYS 20 9.360 -4.636 -5.019
183 HZ3 LYS 20 HZ3 LYS 20 10.079 -3.748 -3.709
184 H CYS 21 H CYS 21 3.548 -3.806 -0.532
185 HA CYS 21 HA CYS 21 1.653 -2.449 1.211
186 HB2 CYS 21 HB2 CYS 21 1.025 -4.449 -0.161
187 HB3 CYS 21 HB3 CYS 21 2.188 -5.441 0.780
188 H PHE 22 H PHE 22 1.517 -2.829 3.613
189 HA PHE 22 HA PHE 22 4.140 -3.704 4.784
190 HB2 PHE 22 HB2 PHE 22 3.454 -1.318 5.020
191 HB3 PHE 22 HB3 PHE 22 1.989 -1.825 5.899
192 HD1 PHE 22 HD2 PHE 22 5.761 -2.334 5.944
193 HD2 PHE 22 HD1 PHE 22 2.186 -1.852 8.299
194 HE1 PHE 22 HE2 PHE 22 7.101 -2.441 8.015
195 HE2 PHE 22 HE1 PHE 22 3.548 -1.859 10.353
196 HZ PHE 22 HZ PHE 22 6.004 -2.184 10.225
197 H ARG 23 H ARG 23 2.515 -5.653 3.862
198 HA ARG 23 HA ARG 23 2.158 -7.014 6.404
199 HB2 ARG 23 HB2 ARG 23 -0.267 -6.139 5.484
200 HB3 ARG 23 HB3 ARG 23 -0.113 -7.575 4.458
201 HG2 ARG 23 HG2 ARG 23 0.568 -8.789 6.747
202 HG3 ARG 23 HG3 ARG 23 -0.275 -7.408 7.501
203 HD2 ARG 23 HD2 ARG 23 -1.406 -9.413 5.449
204 HD3 ARG 23 HD3 ARG 23 -1.590 -9.529 7.232
205 HE ARG 23 HE ARG 23 -2.685 -7.043 6.499
206 HH11 ARG 23 HH12 ARG 23 -3.333 -10.559 6.049
207 HH12 ARG 23 HH11 ARG 23 -5.067 -10.298 5.946
208 HH21 ARG 23 HH22 ARG 23 -4.956 -6.844 6.386
209 HH22 ARG 23 HH21 ARG 23 -5.961 -8.261 6.111
210 H CYS 24 H CYS 24 1.556 -7.425 2.798
211 HA CYS 24 HA CYS 24 3.199 -9.926 2.940
212 HB2 CYS 24 HB2 CYS 24 1.984 -10.566 0.886
213 HB3 CYS 24 HB3 CYS 24 0.836 -10.177 2.202
214 H GLY 25 H GLY 25 3.906 -6.682 2.234
215 HA2 GLY 25 HA2 GLY 25 5.595 -5.789 0.957
216 HA3 GLY 25 HA3 GLY 25 6.213 -7.451 0.815
217 H ALA 26 H ALA 26 2.977 -7.155 -0.607
218 HA ALA 26 HA ALA 26 4.196 -7.470 -3.229
219 HB1 ALA 26 HB1 ALA 26 2.054 -8.604 -2.638
220 HB2 ALA 26 HB2 ALA 26 1.262 -7.002 -2.436
221 HB3 ALA 26 HB3 ALA 26 1.856 -7.514 -4.045
222 H ASP 27 H ASP 27 4.040 -5.845 -4.999
223 HA ASP 27 HA ASP 27 3.999 -3.088 -3.913
224 HB2 ASP 27 HB2 ASP 27 5.798 -4.006 -5.493
225 HB3 ASP 27 HB3 ASP 27 4.566 -3.964 -6.788
226 H LYS 28 H LYS 28 2.686 -1.386 -5.190
227 HA LYS 28 HA LYS 28 -0.008 -1.953 -5.384
228 HB2 LYS 28 HB2 LYS 28 1.811 0.005 -6.866
229 HB3 LYS 28 HB3 LYS 28 0.212 -0.257 -7.573
230 HG2 LYS 28 HG2 LYS 28 0.621 0.546 -4.641
231 HG3 LYS 28 HG3 LYS 28 0.316 1.675 -5.981
232 HD2 LYS 28 HD2 LYS 28 -1.746 -0.346 -6.227
233 HD3 LYS 28 HD3 LYS 28 -1.614 -0.005 -4.497
234 HE2 LYS 28 HE2 LYS 28 -3.298 1.408 -5.551
235 HE3 LYS 28 HE3 LYS 28 -1.968 2.432 -4.940
236 HZ1 LYS 28 HZ1 LYS 28 -3.030 2.717 -7.378
237 HZ2 LYS 28 HZ2 LYS 28 -1.823 1.538 -7.802
238 HZ3 LYS 28 HZ3 LYS 28 -1.364 3.061 -7.077
239 H PHE 29 H PHE 29 2.512 -2.602 -7.939
240 HA PHE 29 HA PHE 29 0.326 -3.848 -9.570
241 HB2 PHE 29 HB2 PHE 29 2.300 -2.029 -10.259
242 HB3 PHE 29 HB3 PHE 29 3.082 -3.538 -10.736
243 HD1 PHE 29 HD2 PHE 29 1.776 -5.069 -12.387
244 HD2 PHE 29 HD1 PHE 29 0.411 -1.111 -11.383
245 HE1 PHE 29 HE2 PHE 29 0.342 -5.041 -14.402
246 HE2 PHE 29 HE1 PHE 29 -0.978 -1.072 -13.418
247 HZ PHE 29 HZ PHE 29 -1.022 -3.037 -14.934
248 H ASP 30 H ASP 30 1.035 -5.289 -7.174
249 HA ASP 30 HA ASP 30 1.934 -7.243 -6.444
250 HB2 ASP 30 HB2 ASP 30 1.030 -7.888 -9.228
251 HB3 ASP 30 HB3 ASP 30 2.083 -9.066 -8.384
252 HN1 NH2 31 HN1 NH2 31 5.173 -7.432 -8.972
253 HN2 NH2 31 HN2 NH2 31 3.605 -7.502 -9.681
254 H1 AQN 32 H1 AQN 2 1.382 1.586 6.670
255 H5 AQN 32 H5 AQN 2 -3.683 2.000 6.826
256 H6 AQN 32 H6 AQN 2 -5.773 1.867 8.125
257 H7 AQN 32 H7 AQN 2 -5.691 1.854 10.610
258 H8 AQN 32 H8 AQN 2 -3.513 1.910 11.774
259 H12 AQN 32 H12 AQN 2 1.540 1.982 11.608
260 H13 AQN 32 H13 AQN 2 3.634 1.907 10.314
Start of MODEL 5
1 H1 ACE 0 H1 ACE 0 1.046 16.957 -1.370
2 H2 ACE 0 H2 ACE 0 2.171 15.674 -0.882
3 H3 ACE 0 H3 ACE 0 1.519 16.781 0.342
4 H LYS 1 H LYS 1 0.265 14.640 -2.266
5 HA LYS 1 HA LYS 1 -2.175 14.096 -0.713
6 HB2 LYS 1 HB2 LYS 1 -2.299 14.295 -3.125
7 HB3 LYS 1 HB3 LYS 1 -1.122 12.976 -3.374
8 HG2 LYS 1 HG2 LYS 1 -2.624 11.337 -2.328
9 HG3 LYS 1 HG3 LYS 1 -3.842 12.596 -1.964
10 HD2 LYS 1 HD2 LYS 1 -2.882 11.894 -4.803
11 HD3 LYS 1 HD3 LYS 1 -4.246 11.052 -4.013
12 HE2 LYS 1 HE2 LYS 1 -5.496 13.197 -3.763
13 HE3 LYS 1 HE3 LYS 1 -4.161 14.072 -4.563
14 HZ1 LYS 1 HZ1 LYS 1 -6.150 12.161 -5.740
15 HZ2 LYS 1 HZ2 LYS 1 -4.584 12.321 -6.501
16 HZ3 LYS 1 HZ3 LYS 1 -5.603 13.709 -6.319
17 H PHE 2 H PHE 2 -1.351 13.024 1.279
18 HA PHE 2 HA PHE 2 0.180 10.521 0.791
19 HB2 PHE 2 HB2 PHE 2 -0.652 11.822 3.428
20 HB3 PHE 2 HB3 PHE 2 0.330 10.344 3.242
21 HD1 PHE 2 HD1 PHE 2 2.432 10.571 1.597
22 HD2 PHE 2 HD2 PHE 2 0.578 13.877 3.647
23 HE1 PHE 2 HE1 PHE 2 4.496 11.900 1.337
24 HE2 PHE 2 HE2 PHE 2 2.682 15.152 3.475
25 HZ PHE 2 HZ PHE 2 4.644 14.176 2.313
26 H GLU 3 H GLU 3 -1.842 9.812 -0.521
27 HA GLU 3 HA GLU 3 -4.131 9.126 1.252
28 HB2 GLU 3 HB2 GLU 3 -4.423 10.318 -0.972
29 HB3 GLU 3 HB3 GLU 3 -3.908 8.816 -1.778
30 HG2 GLU 3 HG2 GLU 3 -6.242 8.539 -1.750
31 HG3 GLU 3 HG3 GLU 3 -5.868 7.748 -0.196
32 H ASP 4 H ASP 4 -3.408 7.218 2.404
33 HA ASP 4 HA ASP 4 -1.780 5.204 1.493
34 HB2 ASP 4 HB2 ASP 4 -3.163 3.677 3.062
35 HB3 ASP 4 HB3 ASP 4 -2.576 5.204 3.774
36 H TRP 5 H TRP 5 -2.280 2.883 0.801
37 HA TRP 5 HA TRP 5 -4.588 2.811 -1.117
38 HB2 TRP 5 HB2 TRP 5 -2.980 1.650 -2.732
39 HB3 TRP 5 HB3 TRP 5 -2.710 3.393 -2.475
40 HD1 TRP 5 HD1 TRP 5 -0.560 4.146 -1.330
41 HE1 TRP 5 HE1 TRP 5 1.679 3.055 -0.803
42 HE3 TRP 5 HE3 TRP 5 -1.906 -0.821 -1.825
43 HZ2 TRP 5 HZ2 TRP 5 2.804 0.543 -0.770
44 HZ3 TRP 5 HZ3 TRP 5 -0.058 -2.524 -1.695
45 HH2 TRP 5 HH2 TRP 5 2.247 -1.840 -1.268
46 H LEU 6 H LEU 6 -5.008 0.540 -1.935
47 HA LEU 6 HA LEU 6 -4.828 -1.166 0.501
48 HB2 LEU 6 HB2 LEU 6 -6.960 0.049 -0.593
49 HB3 LEU 6 HB3 LEU 6 -7.026 -1.427 -1.583
50 HG LEU 6 HG LEU 6 -6.830 -1.561 1.512
51 HD11 LEU 6 HD11 LEU 6 -9.309 -1.510 1.652
52 HD12 LEU 6 HD12 LEU 6 -9.400 -1.036 -0.076
53 HD13 LEU 6 HD13 LEU 6 -8.629 0.051 1.123
54 HD21 LEU 6 HD21 LEU 6 -6.633 -3.634 0.057
55 HD22 LEU 6 HD22 LEU 6 -8.311 -3.353 -0.513
56 HD23 LEU 6 HD23 LEU 6 -8.001 -3.690 1.220
57 H CYS 7 H CYS 7 -3.534 -3.035 0.241
58 HA CYS 7 HA CYS 7 -2.200 -3.381 -2.244
59 HB2 CYS 7 HB2 CYS 7 -1.273 -4.039 -0.017
60 HB3 CYS 7 HB3 CYS 7 -2.508 -5.331 0.111
61 H ASN 8 H ASN 8 -2.252 -5.306 -3.722
62 HA ASN 8 HA ASN 8 -5.089 -6.255 -3.997
63 HB2 ASN 8 HB2 ASN 8 -3.619 -4.788 -5.745
64 HB3 ASN 8 HB3 ASN 8 -3.085 -6.395 -6.273
65 HD21 ASN 8 HD21 ASN 8 -5.491 -7.945 -6.047
66 HD22 ASN 8 HD22 ASN 8 -6.723 -7.210 -7.008
67 H LYS 9 H LYS 9 -3.319 -7.471 -2.064
68 HA LYS 9 HA LYS 9 -3.108 -10.176 -3.231
69 HB2 LYS 9 HB2 LYS 9 -1.053 -8.590 -3.644
70 HB3 LYS 9 HB3 LYS 9 -0.631 -8.885 -1.940
71 HG2 LYS 9 HG2 LYS 9 -0.367 -11.303 -2.369
72 HG3 LYS 9 HG3 LYS 9 -1.014 -11.110 -4.035
73 HD2 LYS 9 HD2 LYS 9 0.885 -9.580 -4.619
74 HD3 LYS 9 HD3 LYS 9 1.500 -9.689 -2.944
75 HE2 LYS 9 HE2 LYS 9 2.835 -11.024 -4.490
76 HE3 LYS 9 HE3 LYS 9 2.051 -12.088 -3.287
77 HZ1 LYS 9 HZ1 LYS 9 2.100 -12.647 -5.899
78 HZ2 LYS 9 HZ2 LYS 9 0.676 -11.652 -5.956
79 HZ3 LYS 9 HZ3 LYS 9 0.712 -13.060 -4.930
80 H CYS 10 H CYS 10 -2.101 -8.268 -0.214
81 HA CYS 10 HA CYS 10 -3.539 -10.355 1.379
82 HB2 CYS 10 HB2 CYS 10 -2.265 -9.509 3.258
83 HB3 CYS 10 HB3 CYS 10 -1.117 -9.780 1.910
84 H CYS 11 H CYS 11 -4.285 -7.258 0.008
85 HA CYS 11 HA CYS 11 -5.957 -5.848 0.405
86 HB2 CYS 11 HB2 CYS 11 -7.152 -7.947 2.275
87 HB3 CYS 11 HB3 CYS 11 -7.988 -6.657 1.362
88 HG CYS 11 HG CYS 11 -6.546 -9.085 0.131
89 H LEU 12 H LEU 12 -3.579 -5.428 2.125
90 HA LEU 12 HA LEU 12 -4.884 -4.410 4.589
91 HB2 LEU 12 HB2 LEU 12 -2.714 -5.704 4.770
92 HB3 LEU 12 HB3 LEU 12 -1.937 -4.503 3.746
93 HG LEU 12 HG LEU 12 -2.411 -2.706 5.480
94 HD11 LEU 12 HD11 LEU 12 -3.168 -5.085 7.295
95 HD12 LEU 12 HD12 LEU 12 -4.335 -3.836 6.763
96 HD13 LEU 12 HD13 LEU 12 -2.966 -3.381 7.805
97 HD21 LEU 12 HD21 LEU 12 -0.607 -3.313 6.964
98 HD22 LEU 12 HD22 LEU 12 -0.189 -3.868 5.326
99 HD23 LEU 12 HD23 LEU 12 -0.756 -5.040 6.549
100 H ASN 13 H ASN 13 -4.806 -2.074 5.063
101 HA ASN 13 HA ASN 13 -4.457 -0.378 2.691
102 HB2 ASN 13 HB2 ASN 13 -6.309 -0.075 4.353
103 HB3 ASN 13 HB3 ASN 13 -5.106 0.360 5.595
104 HD21 ASN 13 HD21 ASN 13 -6.208 1.277 2.218
105 HD22 ASN 13 HD22 ASN 13 -5.869 2.951 2.415
106 H ASN 14 H ASN 14 -2.276 0.380 2.187
107 HA ASN 14 HA ASN 14 -0.334 0.396 4.476
108 HB2 ASN 14 HB2 ASN 14 0.246 0.184 1.478
109 HB3 ASN 14 HB3 ASN 14 1.432 0.097 2.803
110 HD21 ASN 14 HD21 ASN 14 -1.341 -1.646 1.223
111 HD22 ASN 14 HD22 ASN 14 -1.094 -3.113 2.087
112 H PHE 15 H PHE 15 1.165 2.289 4.577
113 HA PHE 15 HA PHE 15 -0.217 4.644 3.921
114 HB2 PHE 15 HB2 PHE 15 2.739 4.207 4.630
115 HB3 PHE 15 HB3 PHE 15 2.111 5.828 4.276
116 HD1 PHE 15 HD1 PHE 15 -0.165 6.501 5.463
117 HD2 PHE 15 HD2 PHE 15 2.684 3.672 6.995
118 HE1 PHE 15 HE1 PHE 15 -1.149 6.728 7.716
119 HE2 PHE 15 HE2 PHE 15 1.753 3.974 9.268
120 HZ PHE 15 HZ PHE 15 -0.205 5.449 9.622
121 H ARG 16 H ARG 16 0.416 6.453 2.504
122 HA ARG 16 HA ARG 16 0.855 5.525 -0.173
123 HB2 ARG 16 HB2 ARG 16 -0.415 7.590 0.203
124 HB3 ARG 16 HB3 ARG 16 0.952 8.313 1.087
125 HG2 ARG 16 HG2 ARG 16 0.827 9.274 -1.149
126 HG3 ARG 16 HG3 ARG 16 2.338 8.373 -0.981
127 HD2 ARG 16 HD2 ARG 16 1.407 6.488 -2.278
128 HD3 ARG 16 HD3 ARG 16 -0.179 7.253 -2.410
129 HE ARG 16 HE ARG 16 2.348 7.825 -3.842
130 HH11 ARG 16 HH12 ARG 16 -0.797 9.348 -2.889
131 HH12 ARG 16 HH11 ARG 16 -0.651 10.550 -4.160
132 HH21 ARG 16 HH22 ARG 16 2.416 9.419 -5.394
133 HH22 ARG 16 HH21 ARG 16 1.110 10.598 -5.539
134 H LYS 17 H LYS 17 2.925 7.373 2.188
135 HA LYS 17 HA LYS 17 5.168 7.720 0.631
136 HB2 LYS 17 HB2 LYS 17 5.180 6.679 3.542
137 HB3 LYS 17 HB3 LYS 17 6.570 7.349 2.658
138 HG2 LYS 17 HG2 LYS 17 6.055 9.385 3.483
139 HG3 LYS 17 HG3 LYS 17 4.630 9.412 2.412
140 HD2 LYS 17 HD2 LYS 17 3.191 8.544 4.250
141 HD3 LYS 17 HD3 LYS 17 4.634 8.212 5.265
142 HE2 LYS 17 HE2 LYS 17 5.144 10.611 5.417
143 HE3 LYS 17 HE3 LYS 17 3.752 11.008 4.357
144 HZ1 LYS 17 HZ1 LYS 17 2.225 10.094 6.006
145 HZ2 LYS 17 HZ2 LYS 17 3.255 11.315 6.735
146 HZ3 LYS 17 HZ3 LYS 17 3.563 9.619 7.033
147 H ARG 18 H ARG 18 4.127 4.692 2.389
148 HA ARG 18 HA ARG 18 6.513 3.302 1.737
149 HB2 ARG 18 HB2 ARG 18 3.686 2.269 2.330
150 HB3 ARG 18 HB3 ARG 18 5.084 1.222 2.018
151 HG2 ARG 18 HG2 ARG 18 5.178 3.336 4.228
152 HG3 ARG 18 HG3 ARG 18 4.466 1.724 4.507
153 HD2 ARG 18 HD2 ARG 18 7.343 2.207 3.552
154 HD3 ARG 18 HD3 ARG 18 6.869 1.878 5.237
155 HE ARG 18 HE ARG 18 5.778 -0.225 3.706
156 HH11 ARG 18 HH12 ARG 18 9.031 1.046 4.578
157 HH12 ARG 18 HH11 ARG 18 9.774 -0.533 4.362
158 HH21 ARG 18 HH22 ARG 18 6.815 -2.182 3.448
159 HH22 ARG 18 HH21 ARG 18 8.546 -2.330 3.757
160 H LEU 19 H LEU 19 7.227 2.970 -0.395
161 HA LEU 19 HA LEU 19 5.363 2.791 -2.591
162 HB2 LEU 19 HB2 LEU 19 7.260 2.087 -3.944
163 HB3 LEU 19 HB3 LEU 19 7.626 3.550 -3.012
164 HG LEU 19 HG LEU 19 8.481 1.172 -1.470
165 HD11 LEU 19 HD11 LEU 19 8.658 0.036 -3.669
166 HD12 LEU 19 HD12 LEU 19 10.258 0.312 -2.943
167 HD13 LEU 19 HD13 LEU 19 9.693 1.358 -4.282
168 HD21 LEU 19 HD21 LEU 19 9.400 3.531 -1.187
169 HD22 LEU 19 HD22 LEU 19 10.149 3.395 -2.801
170 HD23 LEU 19 HD23 LEU 19 10.671 2.317 -1.476
171 H LYS 20 H LYS 20 6.459 0.395 -0.153
172 HA LYS 20 HA LYS 20 5.136 -1.681 -1.848
173 HB2 LYS 20 HB2 LYS 20 7.805 -1.675 -0.415
174 HB3 LYS 20 HB3 LYS 20 6.825 -3.150 -0.231
175 HG2 LYS 20 HG2 LYS 20 6.691 -3.521 -2.614
176 HG3 LYS 20 HG3 LYS 20 7.433 -1.938 -2.983
177 HD2 LYS 20 HD2 LYS 20 9.571 -2.672 -1.939
178 HD3 LYS 20 HD3 LYS 20 8.831 -4.236 -1.481
179 HE2 LYS 20 HE2 LYS 20 8.455 -4.774 -3.905
180 HE3 LYS 20 HE3 LYS 20 9.188 -3.204 -4.362
181 HZ1 LYS 20 HZ1 LYS 20 10.581 -5.441 -2.867
182 HZ2 LYS 20 HZ2 LYS 20 11.298 -3.911 -3.334
183 HZ3 LYS 20 HZ3 LYS 20 10.782 -5.047 -4.557
184 H CYS 21 H CYS 21 4.318 -3.572 -0.607
185 HA CYS 21 HA CYS 21 2.484 -2.399 1.305
186 HB2 CYS 21 HB2 CYS 21 1.903 -4.306 -0.252
187 HB3 CYS 21 HB3 CYS 21 3.054 -5.345 0.658
188 H PHE 22 H PHE 22 2.417 -2.982 3.687
189 HA PHE 22 HA PHE 22 5.075 -3.953 4.691
190 HB2 PHE 22 HB2 PHE 22 4.394 -1.593 5.244
191 HB3 PHE 22 HB3 PHE 22 2.963 -2.227 6.085
192 HD1 PHE 22 HD1 PHE 22 6.734 -2.854 5.967
193 HD2 PHE 22 HD2 PHE 22 3.250 -2.397 8.459
194 HE1 PHE 22 HE1 PHE 22 8.129 -3.129 7.972
195 HE2 PHE 22 HE2 PHE 22 4.675 -2.575 10.461
196 HZ PHE 22 HZ PHE 22 7.115 -2.962 10.230
197 H ARG 23 H ARG 23 3.356 -5.784 3.621
198 HA ARG 23 HA ARG 23 3.101 -7.391 6.040
199 HB2 ARG 23 HB2 ARG 23 0.662 -6.426 5.194
200 HB3 ARG 23 HB3 ARG 23 0.804 -7.814 4.101
201 HG2 ARG 23 HG2 ARG 23 1.492 -9.141 6.314
202 HG3 ARG 23 HG3 ARG 23 0.684 -7.786 7.153
203 HD2 ARG 23 HD2 ARG 23 -0.504 -9.664 5.019
204 HD3 ARG 23 HD3 ARG 23 -0.679 -9.872 6.795
205 HE ARG 23 HE ARG 23 -1.729 -7.330 6.216
206 HH11 ARG 23 HH12 ARG 23 -2.449 -10.797 5.551
207 HH12 ARG 23 HH11 ARG 23 -4.176 -10.496 5.467
208 HH21 ARG 23 HH22 ARG 23 -3.995 -7.077 6.123
209 HH22 ARG 23 HH21 ARG 23 -5.031 -8.453 5.762
210 H CYS 24 H CYS 24 2.438 -7.483 2.420
211 HA CYS 24 HA CYS 24 4.129 -9.953 2.312
212 HB2 CYS 24 HB2 CYS 24 2.919 -10.417 0.212
213 HB3 CYS 24 HB3 CYS 24 1.774 -10.180 1.567
214 H GLY 25 H GLY 25 4.852 -6.691 2.020
215 HA2 GLY 25 HA2 GLY 25 6.522 -5.626 0.854
216 HA3 GLY 25 HA3 GLY 25 7.163 -7.261 0.582
217 H ALA 26 H ALA 26 3.976 -6.737 -0.923
218 HA ALA 26 HA ALA 26 5.415 -6.896 -3.487
219 HB1 ALA 26 HB1 ALA 26 2.413 -7.066 -2.921
220 HB2 ALA 26 HB2 ALA 26 3.301 -7.617 -4.380
221 HB3 ALA 26 HB3 ALA 26 3.579 -8.431 -2.823
222 H ASP 27 H ASP 27 5.484 -5.102 -4.981
223 HA ASP 27 HA ASP 27 4.773 -2.544 -3.901
224 HB2 ASP 27 HB2 ASP 27 6.690 -3.074 -5.537
225 HB3 ASP 27 HB3 ASP 27 5.460 -3.053 -6.829
226 H LYS 28 H LYS 28 3.340 -0.893 -4.953
227 HA LYS 28 HA LYS 28 0.718 -1.527 -5.267
228 HB2 LYS 28 HB2 LYS 28 2.492 0.559 -6.627
229 HB3 LYS 28 HB3 LYS 28 0.879 0.337 -7.312
230 HG2 LYS 28 HG2 LYS 28 1.344 0.906 -4.333
231 HG3 LYS 28 HG3 LYS 28 1.049 2.149 -5.568
232 HD2 LYS 28 HD2 LYS 28 -1.045 0.161 -5.948
233 HD3 LYS 28 HD3 LYS 28 -0.899 0.410 -4.203
234 HE2 LYS 28 HE2 LYS 28 -2.579 1.884 -5.163
235 HE3 LYS 28 HE3 LYS 28 -1.238 2.871 -4.509
236 HZ1 LYS 28 HZ1 LYS 28 -1.327 2.117 -7.434
237 HZ2 LYS 28 HZ2 LYS 28 -0.552 3.494 -6.677
238 HZ3 LYS 28 HZ3 LYS 28 -2.272 3.442 -6.812
239 H PHE 29 H PHE 29 3.196 -1.778 -7.966
240 HA PHE 29 HA PHE 29 1.015 -3.036 -9.587
241 HB2 PHE 29 HB2 PHE 29 2.617 -0.917 -10.214
242 HB3 PHE 29 HB3 PHE 29 3.617 -2.217 -10.875
243 HD1 PHE 29 HD2 PHE 29 0.305 -0.512 -10.888
244 HD2 PHE 29 HD1 PHE 29 2.664 -3.549 -12.820
245 HE1 PHE 29 HE2 PHE 29 -1.256 -0.505 -12.801
246 HE2 PHE 29 HE1 PHE 29 1.083 -3.550 -14.725
247 HZ PHE 29 HZ PHE 29 -0.867 -2.017 -14.729
248 H ASP 30 H ASP 30 1.756 -4.690 -7.616
249 HA ASP 30 HA ASP 30 3.070 -6.829 -9.136
250 HB2 ASP 30 HB2 ASP 30 4.563 -5.225 -7.231
251 HB3 ASP 30 HB3 ASP 30 4.321 -6.836 -6.507
252 HN1 NH2 31 HN1 NH2 31 0.954 -7.285 -5.552
253 HN2 NH2 31 HN2 NH2 31 2.015 -5.939 -5.683
254 H1 AQN 32 H1 AQN 2 2.639 1.123 7.004
255 H5 AQN 32 H5 AQN 2 -2.415 1.702 7.242
256 H6 AQN 32 H6 AQN 2 -4.501 1.472 8.536
257 H7 AQN 32 H7 AQN 2 -4.405 1.225 11.008
258 H8 AQN 32 H8 AQN 2 -2.220 1.155 12.156
259 H12 AQN 32 H12 AQN 2 2.836 1.153 11.951
260 H13 AQN 32 H13 AQN 2 4.917 1.175 10.641
Start of MODEL 6
1 H1 ACE 0 H1 ACE 0 0.853 16.985 1.962
2 H2 ACE 0 H2 ACE 0 1.766 15.559 2.492
3 H3 ACE 0 H3 ACE 0 0.801 16.469 3.670
4 H LYS 1 H LYS 1 0.332 14.932 0.449
5 HA LYS 1 HA LYS 1 -2.424 14.166 1.261
6 HB2 LYS 1 HB2 LYS 1 -2.218 15.173 -0.886
7 HB3 LYS 1 HB3 LYS 1 -0.971 14.018 -1.432
8 HG2 LYS 1 HG2 LYS 1 -2.482 12.186 -1.505
9 HG3 LYS 1 HG3 LYS 1 -3.694 13.006 -0.473
10 HD2 LYS 1 HD2 LYS 1 -4.199 14.622 -2.294
11 HD3 LYS 1 HD3 LYS 1 -2.994 13.832 -3.356
12 HE2 LYS 1 HE2 LYS 1 -4.289 11.715 -3.301
13 HE3 LYS 1 HE3 LYS 1 -5.426 12.407 -2.093
14 HZ1 LYS 1 HZ1 LYS 1 -6.376 12.368 -4.331
15 HZ2 LYS 1 HZ2 LYS 1 -5.092 13.406 -4.908
16 HZ3 LYS 1 HZ3 LYS 1 -6.230 13.999 -3.720
17 H PHE 2 H PHE 2 -2.080 12.442 2.817
18 HA PHE 2 HA PHE 2 -0.313 10.191 1.986
19 HB2 PHE 2 HB2 PHE 2 -1.846 10.758 4.582
20 HB3 PHE 2 HB3 PHE 2 -1.025 9.226 4.213
21 HD1 PHE 2 HD1 PHE 2 -0.379 12.922 4.529
22 HD2 PHE 2 HD2 PHE 2 1.340 8.973 4.488
23 HE1 PHE 2 HE1 PHE 2 1.788 13.852 5.256
24 HE2 PHE 2 HE2 PHE 2 3.466 9.898 5.326
25 HZ PHE 2 HZ PHE 2 3.705 12.340 5.702
26 H GLU 3 H GLU 3 -1.963 10.107 0.013
27 HA GLU 3 HA GLU 3 -4.566 8.925 0.696
28 HB2 GLU 3 HB2 GLU 3 -4.137 10.417 -1.257
29 HB3 GLU 3 HB3 GLU 3 -3.176 9.147 -2.036
30 HG2 GLU 3 HG2 GLU 3 -5.130 8.422 -2.966
31 HG3 GLU 3 HG3 GLU 3 -5.631 7.839 -1.357
32 H ASP 4 H ASP 4 -3.522 7.190 2.073
33 HA ASP 4 HA ASP 4 -1.762 5.252 1.179
34 HB2 ASP 4 HB2 ASP 4 -3.028 3.718 2.861
35 HB3 ASP 4 HB3 ASP 4 -2.504 5.306 3.473
36 H TRP 5 H TRP 5 -2.207 2.866 0.547
37 HA TRP 5 HA TRP 5 -4.471 2.758 -1.420
38 HB2 TRP 5 HB2 TRP 5 -2.826 1.538 -2.931
39 HB3 TRP 5 HB3 TRP 5 -2.563 3.291 -2.733
40 HD1 TRP 5 HD1 TRP 5 -0.407 4.114 -1.605
41 HE1 TRP 5 HE1 TRP 5 1.824 3.065 -1.051
42 HE3 TRP 5 HE3 TRP 5 -1.706 -0.880 -1.921
43 HZ2 TRP 5 HZ2 TRP 5 2.979 0.563 -0.908
44 HZ3 TRP 5 HZ3 TRP 5 0.139 -2.568 -1.653
45 HH2 TRP 5 HH2 TRP 5 2.441 -1.844 -1.284
46 H LEU 6 H LEU 6 -5.340 0.619 -1.855
47 HA LEU 6 HA LEU 6 -4.724 -1.230 0.338
48 HB2 LEU 6 HB2 LEU 6 -6.956 -1.198 -1.711
49 HB3 LEU 6 HB3 LEU 6 -6.407 -2.744 -1.008
50 HG LEU 6 HG LEU 6 -6.758 -1.886 1.311
51 HD11 LEU 6 HD11 LEU 6 -8.070 0.178 1.687
52 HD12 LEU 6 HD12 LEU 6 -8.117 0.520 -0.070
53 HD13 LEU 6 HD13 LEU 6 -6.567 0.600 0.821
54 HD21 LEU 6 HD21 LEU 6 -9.239 -2.038 1.258
55 HD22 LEU 6 HD22 LEU 6 -8.478 -3.257 0.195
56 HD23 LEU 6 HD23 LEU 6 -9.227 -1.792 -0.521
57 H CYS 7 H CYS 7 -3.644 -3.223 0.115
58 HA CYS 7 HA CYS 7 -1.942 -3.452 -2.245
59 HB2 CYS 7 HB2 CYS 7 -1.261 -4.119 0.090
60 HB3 CYS 7 HB3 CYS 7 -2.512 -5.400 0.079
61 H ASN 8 H ASN 8 -1.970 -5.446 -3.687
62 HA ASN 8 HA ASN 8 -4.810 -6.369 -4.055
63 HB2 ASN 8 HB2 ASN 8 -3.175 -5.028 -5.845
64 HB3 ASN 8 HB3 ASN 8 -2.786 -6.705 -6.266
65 HD21 ASN 8 HD21 ASN 8 -5.541 -4.389 -5.640
66 HD22 ASN 8 HD22 ASN 8 -6.624 -5.133 -6.762
67 H LYS 9 H LYS 9 -3.203 -7.423 -1.973
68 HA LYS 9 HA LYS 9 -3.013 -10.217 -2.894
69 HB2 LYS 9 HB2 LYS 9 -0.796 -8.702 -3.122
70 HB3 LYS 9 HB3 LYS 9 -0.617 -9.055 -1.390
71 HG2 LYS 9 HG2 LYS 9 -0.900 -11.145 -3.642
72 HG3 LYS 9 HG3 LYS 9 0.641 -10.593 -2.931
73 HD2 LYS 9 HD2 LYS 9 0.023 -11.471 -0.711
74 HD3 LYS 9 HD3 LYS 9 -1.569 -12.013 -1.328
75 HE2 LYS 9 HE2 LYS 9 -0.508 -13.586 -2.891
76 HE3 LYS 9 HE3 LYS 9 1.124 -12.976 -2.484
77 HZ1 LYS 9 HZ1 LYS 9 0.898 -13.798 -0.218
78 HZ2 LYS 9 HZ2 LYS 9 0.610 -15.083 -1.365
79 HZ3 LYS 9 HZ3 LYS 9 -0.740 -14.343 -0.538
80 H CYS 10 H CYS 10 -2.238 -8.073 0.020
81 HA CYS 10 HA CYS 10 -3.993 -9.910 1.613
82 HB2 CYS 10 HB2 CYS 10 -2.755 -9.105 3.571
83 HB3 CYS 10 HB3 CYS 10 -1.600 -9.713 2.345
84 H CYS 11 H CYS 11 -4.507 -7.057 -0.097
85 HA CYS 11 HA CYS 11 -5.957 -5.345 0.192
86 HB2 CYS 11 HB2 CYS 11 -7.099 -7.848 0.968
87 HB3 CYS 11 HB3 CYS 11 -7.683 -6.705 2.199
88 HG CYS 11 HG CYS 11 -7.987 -6.448 -0.859
89 H LEU 12 H LEU 12 -3.621 -5.229 2.118
90 HA LEU 12 HA LEU 12 -4.926 -3.935 4.442
91 HB2 LEU 12 HB2 LEU 12 -3.120 -5.470 4.782
92 HB3 LEU 12 HB3 LEU 12 -1.985 -4.543 3.758
93 HG LEU 12 HG LEU 12 -3.279 -3.308 6.226
94 HD11 LEU 12 HD11 LEU 12 -1.036 -5.325 6.035
95 HD12 LEU 12 HD12 LEU 12 -2.175 -4.989 7.368
96 HD13 LEU 12 HD13 LEU 12 -0.735 -3.979 7.137
97 HD21 LEU 12 HD21 LEU 12 -0.478 -2.541 5.323
98 HD22 LEU 12 HD22 LEU 12 -1.825 -1.551 5.965
99 HD23 LEU 12 HD23 LEU 12 -1.792 -2.035 4.268
100 H ASN 13 H ASN 13 -4.629 -1.615 4.887
101 HA ASN 13 HA ASN 13 -4.429 -0.095 2.372
102 HB2 ASN 13 HB2 ASN 13 -6.276 0.126 4.057
103 HB3 ASN 13 HB3 ASN 13 -5.122 0.896 5.178
104 HD21 ASN 13 HD21 ASN 13 -6.985 2.590 4.863
105 HD22 ASN 13 HD22 ASN 13 -6.811 3.697 3.551
106 H ASN 14 H ASN 14 -2.134 0.144 1.853
107 HA ASN 14 HA ASN 14 -0.273 0.561 4.114
108 HB2 ASN 14 HB2 ASN 14 0.302 0.194 1.134
109 HB3 ASN 14 HB3 ASN 14 1.528 0.310 2.419
110 HD21 ASN 14 HD21 ASN 14 -1.123 -1.815 1.087
111 HD22 ASN 14 HD22 ASN 14 -0.773 -3.132 2.136
112 H PHE 15 H PHE 15 1.291 2.373 4.094
113 HA PHE 15 HA PHE 15 -0.093 4.813 3.677
114 HB2 PHE 15 HB2 PHE 15 2.840 4.149 4.146
115 HB3 PHE 15 HB3 PHE 15 2.372 5.808 3.759
116 HD1 PHE 15 HD1 PHE 15 0.322 3.472 5.962
117 HD2 PHE 15 HD2 PHE 15 2.905 6.920 5.767
118 HE1 PHE 15 HE1 PHE 15 -0.254 4.044 8.271
119 HE2 PHE 15 HE2 PHE 15 2.314 7.478 8.084
120 HZ PHE 15 HZ PHE 15 0.714 6.060 9.345
121 H ARG 16 H ARG 16 0.550 6.682 2.242
122 HA ARG 16 HA ARG 16 0.808 5.753 -0.467
123 HB2 ARG 16 HB2 ARG 16 -0.433 7.731 -0.055
124 HB3 ARG 16 HB3 ARG 16 0.951 8.597 0.670
125 HG2 ARG 16 HG2 ARG 16 2.109 8.886 -1.348
126 HG3 ARG 16 HG3 ARG 16 1.409 7.433 -2.077
127 HD2 ARG 16 HD2 ARG 16 0.106 8.687 -3.302
128 HD3 ARG 16 HD3 ARG 16 -0.854 9.075 -1.847
129 HE ARG 16 HE ARG 16 1.260 10.964 -2.027
130 HH11 ARG 16 HH12 ARG 16 -1.706 9.984 -3.848
131 HH12 ARG 16 HH11 ARG 16 -1.874 11.585 -4.550
132 HH21 ARG 16 HH22 ARG 16 0.945 12.957 -2.994
133 HH22 ARG 16 HH21 ARG 16 -0.421 13.231 -4.078
134 H LYS 17 H LYS 17 3.100 7.585 1.775
135 HA LYS 17 HA LYS 17 5.123 7.689 -0.137
136 HB2 LYS 17 HB2 LYS 17 6.786 7.871 1.606
137 HB3 LYS 17 HB3 LYS 17 5.387 8.899 1.969
138 HG2 LYS 17 HG2 LYS 17 4.974 7.875 3.960
139 HG3 LYS 17 HG3 LYS 17 5.073 6.239 3.283
140 HD2 LYS 17 HD2 LYS 17 7.573 7.906 3.873
141 HD3 LYS 17 HD3 LYS 17 6.819 6.855 5.094
142 HE2 LYS 17 HE2 LYS 17 7.221 4.840 3.861
143 HE3 LYS 17 HE3 LYS 17 7.628 5.707 2.356
144 HZ1 LYS 17 HZ1 LYS 17 9.258 5.828 4.897
145 HZ2 LYS 17 HZ2 LYS 17 9.643 6.568 3.350
146 HZ3 LYS 17 HZ3 LYS 17 9.591 4.831 3.497
147 H ARG 18 H ARG 18 4.030 4.800 1.736
148 HA ARG 18 HA ARG 18 6.454 3.350 1.193
149 HB2 ARG 18 HB2 ARG 18 3.591 2.401 1.781
150 HB3 ARG 18 HB3 ARG 18 4.950 1.310 1.459
151 HG2 ARG 18 HG2 ARG 18 5.224 3.420 3.608
152 HG3 ARG 18 HG3 ARG 18 4.329 1.919 3.971
153 HD2 ARG 18 HD2 ARG 18 7.226 2.045 2.986
154 HD3 ARG 18 HD3 ARG 18 6.723 1.819 4.694
155 HE ARG 18 HE ARG 18 5.376 -0.191 3.262
156 HH11 ARG 18 HH12 ARG 18 8.799 0.706 3.941
157 HH12 ARG 18 HH11 ARG 18 9.341 -0.954 3.720
158 HH21 ARG 18 HH22 ARG 18 6.175 -2.257 3.001
159 HH22 ARG 18 HH21 ARG 18 7.888 -2.605 3.227
160 H LEU 19 H LEU 19 7.120 2.764 -0.932
161 HA LEU 19 HA LEU 19 5.112 2.439 -3.066
162 HB2 LEU 19 HB2 LEU 19 8.102 1.756 -2.844
163 HB3 LEU 19 HB3 LEU 19 7.116 1.414 -4.269
164 HG LEU 19 HG LEU 19 6.743 4.238 -3.393
165 HD11 LEU 19 HD11 LEU 19 8.966 5.090 -4.082
166 HD12 LEU 19 HD12 LEU 19 9.585 3.415 -4.202
167 HD13 LEU 19 HD13 LEU 19 9.072 4.078 -2.616
168 HD21 LEU 19 HD21 LEU 19 7.134 4.686 -5.796
169 HD22 LEU 19 HD22 LEU 19 6.044 3.282 -5.624
170 HD23 LEU 19 HD23 LEU 19 7.769 3.035 -6.039
171 H LYS 20 H LYS 20 6.606 0.355 -0.476
172 HA LYS 20 HA LYS 20 5.249 -1.939 -1.820
173 HB2 LYS 20 HB2 LYS 20 7.818 -1.795 -0.175
174 HB3 LYS 20 HB3 LYS 20 6.889 -3.311 -0.309
175 HG2 LYS 20 HG2 LYS 20 7.021 -3.304 -2.753
176 HG3 LYS 20 HG3 LYS 20 7.886 -1.734 -2.751
177 HD2 LYS 20 HD2 LYS 20 9.808 -2.783 -1.576
178 HD3 LYS 20 HD3 LYS 20 8.909 -4.323 -1.404
179 HE2 LYS 20 HE2 LYS 20 8.827 -4.596 -3.876
180 HE3 LYS 20 HE3 LYS 20 9.685 -3.037 -4.094
181 HZ1 LYS 20 HZ1 LYS 20 11.187 -4.959 -4.289
182 HZ2 LYS 20 HZ2 LYS 20 10.774 -5.480 -2.672
183 HZ3 LYS 20 HZ3 LYS 20 11.619 -3.962 -2.917
184 H CYS 21 H CYS 21 4.354 -3.667 -0.567
185 HA CYS 21 HA CYS 21 2.562 -2.435 1.317
186 HB2 CYS 21 HB2 CYS 21 1.873 -4.330 -0.146
187 HB3 CYS 21 HB3 CYS 21 3.093 -5.383 0.648
188 H PHE 22 H PHE 22 2.462 -2.944 3.717
189 HA PHE 22 HA PHE 22 5.149 -3.749 4.751
190 HB2 PHE 22 HB2 PHE 22 3.927 -1.432 5.115
191 HB3 PHE 22 HB3 PHE 22 3.031 -2.272 6.397
192 HD1 PHE 22 HD1 PHE 22 5.710 -4.101 7.068
193 HD2 PHE 22 HD2 PHE 22 4.857 0.107 6.729
194 HE1 PHE 22 HE1 PHE 22 7.763 -3.573 8.319
195 HE2 PHE 22 HE2 PHE 22 6.857 0.615 8.073
196 HZ PHE 22 HZ PHE 22 8.351 -1.220 8.829
197 H ARG 23 H ARG 23 3.715 -5.793 3.782
198 HA ARG 23 HA ARG 23 3.244 -7.297 6.200
199 HB2 ARG 23 HB2 ARG 23 0.924 -6.197 5.225
200 HB3 ARG 23 HB3 ARG 23 0.962 -7.667 4.230
201 HG2 ARG 23 HG2 ARG 23 1.483 -8.892 6.518
202 HG3 ARG 23 HG3 ARG 23 0.821 -7.420 7.285
203 HD2 ARG 23 HD2 ARG 23 -0.724 -9.005 5.160
204 HD3 ARG 23 HD3 ARG 23 -0.667 -9.646 6.782
205 HE ARG 23 HE ARG 23 -2.374 -7.562 5.814
206 HH11 ARG 23 HH12 ARG 23 -0.598 -8.590 8.785
207 HH12 ARG 23 HH11 ARG 23 -1.846 -7.926 9.829
208 HH21 ARG 23 HH22 ARG 23 -3.904 -6.771 7.246
209 HH22 ARG 23 HH21 ARG 23 -3.661 -6.908 8.991
210 H CYS 24 H CYS 24 2.638 -7.433 2.565
211 HA CYS 24 HA CYS 24 4.279 -9.943 2.540
212 HB2 CYS 24 HB2 CYS 24 2.955 -10.544 0.533
213 HB3 CYS 24 HB3 CYS 24 1.896 -10.276 1.947
214 H GLY 25 H GLY 25 4.938 -6.698 2.009
215 HA2 GLY 25 HA2 GLY 25 6.551 -5.712 0.722
216 HA3 GLY 25 HA3 GLY 25 7.122 -7.355 0.351
217 H ALA 26 H ALA 26 3.832 -7.048 -0.807
218 HA ALA 26 HA ALA 26 4.855 -7.202 -3.478
219 HB1 ALA 26 HB1 ALA 26 1.986 -6.796 -2.458
220 HB2 ALA 26 HB2 ALA 26 2.445 -7.255 -4.121
221 HB3 ALA 26 HB3 ALA 26 2.807 -8.358 -2.764
222 H ASP 27 H ASP 27 5.558 -5.339 -4.686
223 HA ASP 27 HA ASP 27 4.934 -2.692 -3.884
224 HB2 ASP 27 HB2 ASP 27 6.821 -3.455 -5.463
225 HB3 ASP 27 HB3 ASP 27 5.585 -3.509 -6.752
226 H LYS 28 H LYS 28 3.582 -1.049 -5.080
227 HA LYS 28 HA LYS 28 0.927 -1.685 -5.341
228 HB2 LYS 28 HB2 LYS 28 2.709 0.362 -6.750
229 HB3 LYS 28 HB3 LYS 28 1.092 0.130 -7.428
230 HG2 LYS 28 HG2 LYS 28 1.550 0.711 -4.452
231 HG3 LYS 28 HG3 LYS 28 1.280 1.970 -5.676
232 HD2 LYS 28 HD2 LYS 28 -0.823 -0.053 -6.045
233 HD3 LYS 28 HD3 LYS 28 -0.709 0.308 -4.316
234 HE2 LYS 28 HE2 LYS 28 -2.366 1.725 -5.378
235 HE3 LYS 28 HE3 LYS 28 -1.025 2.747 -4.781
236 HZ1 LYS 28 HZ1 LYS 28 -0.263 3.112 -7.034
237 HZ2 LYS 28 HZ2 LYS 28 -1.981 3.262 -7.068
238 HZ3 LYS 28 HZ3 LYS 28 -1.236 1.798 -7.656
239 H PHE 29 H PHE 29 3.451 -2.207 -7.927
240 HA PHE 29 HA PHE 29 1.254 -3.400 -9.592
241 HB2 PHE 29 HB2 PHE 29 3.111 -1.450 -10.198
242 HB3 PHE 29 HB3 PHE 29 3.944 -2.874 -10.825
243 HD1 PHE 29 HD2 PHE 29 2.222 -4.551 -12.182
244 HD2 PHE 29 HD1 PHE 29 1.600 -0.330 -11.600
245 HE1 PHE 29 HE2 PHE 29 0.750 -4.482 -14.170
246 HE2 PHE 29 HE1 PHE 29 0.164 -0.266 -13.594
247 HZ PHE 29 HZ PHE 29 -0.270 -2.338 -14.890
248 H ASP 30 H ASP 30 1.781 -5.041 -7.485
249 HA ASP 30 HA ASP 30 3.300 -7.247 -8.804
250 HB2 ASP 30 HB2 ASP 30 4.839 -5.907 -7.259
251 HB3 ASP 30 HB3 ASP 30 3.697 -6.255 -5.934
252 HN1 NH2 31 HN1 NH2 31 1.200 -9.501 -6.869
253 HN2 NH2 31 HN2 NH2 31 2.735 -9.402 -7.646
254 H1 AQN 32 H1 AQN 2 3.490 2.779 6.214
255 H5 AQN 32 H5 AQN 2 -0.011 -0.695 7.048
256 H6 AQN 32 H6 AQN 2 -1.161 -2.295 8.595
257 H7 AQN 32 H7 AQN 2 -0.426 -2.475 10.939
258 H8 AQN 32 H8 AQN 2 1.272 -0.912 11.829
259 H12 AQN 32 H12 AQN 2 4.340 3.084 11.076
260 H13 AQN 32 H13 AQN 2 5.446 4.662 9.535
Start of MODEL 7
1 H1 ACE 0 H1 ACE 0 1.380 17.279 1.139
2 H2 ACE 0 H2 ACE 0 1.840 15.971 2.247
3 H3 ACE 0 H3 ACE 0 0.549 17.098 2.708
4 H LYS 1 H LYS 1 1.375 14.972 -0.085
5 HA LYS 1 HA LYS 1 -1.522 14.411 -0.440
6 HB2 LYS 1 HB2 LYS 1 -0.256 14.988 -2.403
7 HB3 LYS 1 HB3 LYS 1 0.896 13.644 -2.162
8 HG2 LYS 1 HG2 LYS 1 -0.719 11.966 -2.707
9 HG3 LYS 1 HG3 LYS 1 -2.099 13.004 -2.261
10 HD2 LYS 1 HD2 LYS 1 -2.142 12.755 -4.647
11 HD3 LYS 1 HD3 LYS 1 -1.710 14.442 -4.263
12 HE2 LYS 1 HE2 LYS 1 0.766 13.775 -4.670
13 HE3 LYS 1 HE3 LYS 1 0.160 12.180 -5.213
14 HZ1 LYS 1 HZ1 LYS 1 0.500 13.625 -7.117
15 HZ2 LYS 1 HZ2 LYS 1 -0.472 14.891 -6.413
16 HZ3 LYS 1 HZ3 LYS 1 -1.223 13.395 -6.923
17 H PHE 2 H PHE 2 -2.052 12.952 1.329
18 HA PHE 2 HA PHE 2 -0.284 10.543 1.647
19 HB2 PHE 2 HB2 PHE 2 -2.530 11.699 3.384
20 HB3 PHE 2 HB3 PHE 2 -1.832 10.074 3.575
21 HD1 PHE 2 HD1 PHE 2 -0.358 13.554 3.029
22 HD2 PHE 2 HD2 PHE 2 -0.323 9.944 5.375
23 HE1 PHE 2 HE1 PHE 2 1.488 14.444 4.381
24 HE2 PHE 2 HE2 PHE 2 1.360 10.947 6.860
25 HZ PHE 2 HZ PHE 2 2.362 13.150 6.309
26 H GLU 3 H GLU 3 -1.185 10.255 -0.770
27 HA GLU 3 HA GLU 3 -3.961 9.275 -0.876
28 HB2 GLU 3 HB2 GLU 3 -2.920 10.385 -2.829
29 HB3 GLU 3 HB3 GLU 3 -1.657 9.140 -2.881
30 HG2 GLU 3 HG2 GLU 3 -3.995 7.558 -2.997
31 HG3 GLU 3 HG3 GLU 3 -4.480 9.026 -3.869
32 H ASP 4 H ASP 4 -3.468 7.806 1.096
33 HA ASP 4 HA ASP 4 -1.706 5.610 0.909
34 HB2 ASP 4 HB2 ASP 4 -3.403 4.476 2.521
35 HB3 ASP 4 HB3 ASP 4 -2.760 6.059 3.029
36 H TRP 5 H TRP 5 -2.299 3.223 0.567
37 HA TRP 5 HA TRP 5 -4.455 2.913 -1.473
38 HB2 TRP 5 HB2 TRP 5 -2.811 1.618 -2.910
39 HB3 TRP 5 HB3 TRP 5 -2.492 3.369 -2.797
40 HD1 TRP 5 HD1 TRP 5 -0.329 4.165 -1.571
41 HE1 TRP 5 HE1 TRP 5 1.827 3.024 -0.906
42 HE3 TRP 5 HE3 TRP 5 -1.847 -0.768 -1.872
43 HZ2 TRP 5 HZ2 TRP 5 2.847 0.470 -0.644
44 HZ3 TRP 5 HZ3 TRP 5 -0.083 -2.532 -1.517
45 HH2 TRP 5 HH2 TRP 5 2.222 -1.906 -1.015
46 H LEU 6 H LEU 6 -4.957 0.581 -1.935
47 HA LEU 6 HA LEU 6 -4.563 -0.922 0.606
48 HB2 LEU 6 HB2 LEU 6 -6.973 -0.234 -0.673
49 HB3 LEU 6 HB3 LEU 6 -6.644 -1.848 -1.343
50 HG LEU 6 HG LEU 6 -6.222 -2.482 1.262
51 HD11 LEU 6 HD11 LEU 6 -6.499 0.035 1.961
52 HD12 LEU 6 HD12 LEU 6 -7.551 -1.126 2.833
53 HD13 LEU 6 HD13 LEU 6 -8.212 -0.117 1.517
54 HD21 LEU 6 HD21 LEU 6 -8.022 -3.474 -0.133
55 HD22 LEU 6 HD22 LEU 6 -9.054 -2.027 0.160
56 HD23 LEU 6 HD23 LEU 6 -8.591 -3.103 1.526
57 H CYS 7 H CYS 7 -3.587 -3.051 0.470
58 HA CYS 7 HA CYS 7 -2.169 -3.455 -2.038
59 HB2 CYS 7 HB2 CYS 7 -1.256 -3.981 0.317
60 HB3 CYS 7 HB3 CYS 7 -2.376 -5.378 0.341
61 H ASN 8 H ASN 8 -2.400 -5.412 -3.424
62 HA ASN 8 HA ASN 8 -5.212 -6.468 -3.354
63 HB2 ASN 8 HB2 ASN 8 -3.288 -5.802 -5.559
64 HB3 ASN 8 HB3 ASN 8 -4.047 -7.396 -5.704
65 HD21 ASN 8 HD21 ASN 8 -5.690 -6.988 -7.322
66 HD22 ASN 8 HD22 ASN 8 -6.870 -5.745 -7.132
67 H LYS 9 H LYS 9 -1.899 -7.576 -2.676
68 HA LYS 9 HA LYS 9 -2.672 -10.388 -3.092
69 HB2 LYS 9 HB2 LYS 9 -0.207 -8.967 -1.967
70 HB3 LYS 9 HB3 LYS 9 -0.530 -10.657 -1.528
71 HG2 LYS 9 HG2 LYS 9 1.029 -10.360 -3.442
72 HG3 LYS 9 HG3 LYS 9 -0.373 -11.415 -3.794
73 HD2 LYS 9 HD2 LYS 9 -1.406 -9.790 -5.225
74 HD3 LYS 9 HD3 LYS 9 -0.437 -8.441 -4.553
75 HE2 LYS 9 HE2 LYS 9 0.286 -9.070 -6.846
76 HE3 LYS 9 HE3 LYS 9 1.590 -9.230 -5.638
77 HZ1 LYS 9 HZ1 LYS 9 1.569 -11.063 -7.236
78 HZ2 LYS 9 HZ2 LYS 9 -0.047 -11.516 -6.735
79 HZ3 LYS 9 HZ3 LYS 9 1.317 -11.655 -5.636
80 H CYS 10 H CYS 10 -1.749 -8.468 -0.112
81 HA CYS 10 HA CYS 10 -3.217 -10.501 1.462
82 HB2 CYS 10 HB2 CYS 10 -2.128 -9.494 3.404
83 HB3 CYS 10 HB3 CYS 10 -0.907 -9.710 2.122
84 H CYS 11 H CYS 11 -4.183 -7.476 0.005
85 HA CYS 11 HA CYS 11 -6.027 -6.178 0.437
86 HB2 CYS 11 HB2 CYS 11 -7.065 -8.515 2.117
87 HB3 CYS 11 HB3 CYS 11 -7.990 -7.265 1.239
88 HG CYS 11 HG CYS 11 -6.274 -9.484 -0.029
89 H LEU 12 H LEU 12 -3.799 -5.527 2.067
90 HA LEU 12 HA LEU 12 -5.161 -4.748 4.620
91 HB2 LEU 12 HB2 LEU 12 -3.033 -6.242 4.690
92 HB3 LEU 12 HB3 LEU 12 -2.163 -4.860 3.990
93 HG LEU 12 HG LEU 12 -3.296 -3.541 6.129
94 HD11 LEU 12 HD11 LEU 12 -3.372 -5.017 8.123
95 HD12 LEU 12 HD12 LEU 12 -3.138 -6.458 7.091
96 HD13 LEU 12 HD13 LEU 12 -4.613 -5.472 6.923
97 HD21 LEU 12 HD21 LEU 12 -0.763 -5.190 6.133
98 HD22 LEU 12 HD22 LEU 12 -1.204 -4.006 7.409
99 HD23 LEU 12 HD23 LEU 12 -0.966 -3.476 5.720
100 H ASN 13 H ASN 13 -5.026 -2.432 5.120
101 HA ASN 13 HA ASN 13 -4.496 -0.732 2.870
102 HB2 ASN 13 HB2 ASN 13 -6.158 -0.360 4.762
103 HB3 ASN 13 HB3 ASN 13 -4.769 0.051 5.797
104 HD21 ASN 13 HD21 ASN 13 -7.019 1.827 5.232
105 HD22 ASN 13 HD22 ASN 13 -6.412 3.151 4.302
106 H ASN 14 H ASN 14 -2.844 1.004 2.711
107 HA ASN 14 HA ASN 14 -0.328 0.422 4.228
108 HB2 ASN 14 HB2 ASN 14 -0.498 0.749 1.191
109 HB3 ASN 14 HB3 ASN 14 0.890 0.118 2.119
110 HD21 ASN 14 HD21 ASN 14 0.215 -2.005 3.492
111 HD22 ASN 14 HD22 ASN 14 -0.825 -3.129 2.701
112 H PHE 15 H PHE 15 1.222 2.410 3.980
113 HA PHE 15 HA PHE 15 -0.447 4.813 3.582
114 HB2 PHE 15 HB2 PHE 15 2.467 4.482 4.472
115 HB3 PHE 15 HB3 PHE 15 1.723 6.061 4.173
116 HD1 PHE 15 HD1 PHE 15 -0.633 6.506 5.296
117 HD2 PHE 15 HD2 PHE 15 2.354 3.796 6.790
118 HE1 PHE 15 HE1 PHE 15 -1.687 6.570 7.526
119 HE2 PHE 15 HE2 PHE 15 1.349 3.946 9.045
120 HZ PHE 15 HZ PHE 15 -0.711 5.275 9.404
121 H ARG 16 H ARG 16 0.334 6.664 2.243
122 HA ARG 16 HA ARG 16 0.902 5.844 -0.417
123 HB2 ARG 16 HB2 ARG 16 -0.144 8.011 -0.012
124 HB3 ARG 16 HB3 ARG 16 1.197 8.572 1.000
125 HG2 ARG 16 HG2 ARG 16 1.317 9.640 -1.170
126 HG3 ARG 16 HG3 ARG 16 2.756 8.629 -0.904
127 HD2 ARG 16 HD2 ARG 16 1.774 6.856 -2.409
128 HD3 ARG 16 HD3 ARG 16 0.292 7.865 -2.554
129 HE ARG 16 HE ARG 16 2.655 9.378 -3.288
130 HH11 ARG 16 HH12 ARG 16 0.549 6.726 -4.528
131 HH12 ARG 16 HH11 ARG 16 0.955 7.105 -6.198
132 HH21 ARG 16 HH22 ARG 16 3.120 9.754 -5.437
133 HH22 ARG 16 HH21 ARG 16 2.383 8.773 -6.706
134 H LYS 17 H LYS 17 2.967 7.419 2.096
135 HA LYS 17 HA LYS 17 5.267 7.695 0.579
136 HB2 LYS 17 HB2 LYS 17 5.373 6.795 3.534
137 HB3 LYS 17 HB3 LYS 17 6.615 7.617 2.572
138 HG2 LYS 17 HG2 LYS 17 5.811 9.498 3.623
139 HG3 LYS 17 HG3 LYS 17 4.704 9.487 2.248
140 HD2 LYS 17 HD2 LYS 17 2.939 9.441 3.705
141 HD3 LYS 17 HD3 LYS 17 3.445 7.853 4.334
142 HE2 LYS 17 HE2 LYS 17 4.389 10.562 5.407
143 HE3 LYS 17 HE3 LYS 17 3.144 9.492 6.106
144 HZ1 LYS 17 HZ1 LYS 17 6.082 8.799 5.875
145 HZ2 LYS 17 HZ2 LYS 17 4.817 7.723 6.422
146 HZ3 LYS 17 HZ3 LYS 17 5.173 9.189 7.298
147 H ARG 18 H ARG 18 3.979 4.734 2.204
148 HA ARG 18 HA ARG 18 6.390 3.232 1.550
149 HB2 ARG 18 HB2 ARG 18 3.608 2.296 2.406
150 HB3 ARG 18 HB3 ARG 18 5.018 1.244 2.257
151 HG2 ARG 18 HG2 ARG 18 4.750 3.644 4.154
152 HG3 ARG 18 HG3 ARG 18 4.533 1.947 4.619
153 HD2 ARG 18 HD2 ARG 18 7.320 2.784 3.545
154 HD3 ARG 18 HD3 ARG 18 6.755 3.329 5.093
155 HE ARG 18 HE ARG 18 6.899 1.344 6.067
156 HH11 ARG 18 HH12 ARG 18 7.246 0.789 2.516
157 HH12 ARG 18 HH11 ARG 18 7.666 -0.896 2.775
158 HH21 ARG 18 HH22 ARG 18 7.458 -0.788 6.262
159 HH22 ARG 18 HH21 ARG 18 7.821 -1.760 4.833
160 H LEU 19 H LEU 19 6.870 2.868 -0.632
161 HA LEU 19 HA LEU 19 4.750 2.574 -2.641
162 HB2 LEU 19 HB2 LEU 19 7.795 2.051 -2.586
163 HB3 LEU 19 HB3 LEU 19 6.774 1.472 -3.909
164 HG LEU 19 HG LEU 19 6.074 3.640 -4.584
165 HD11 LEU 19 HD11 LEU 19 5.792 4.839 -2.419
166 HD12 LEU 19 HD12 LEU 19 6.875 5.758 -3.494
167 HD13 LEU 19 HD13 LEU 19 7.564 4.802 -2.147
168 HD21 LEU 19 HD21 LEU 19 8.197 4.587 -5.343
169 HD22 LEU 19 HD22 LEU 19 8.398 2.812 -5.273
170 HD23 LEU 19 HD23 LEU 19 9.087 3.840 -3.980
171 H LYS 20 H LYS 20 6.561 0.399 -0.373
172 HA LYS 20 HA LYS 20 5.324 -1.943 -1.763
173 HB2 LYS 20 HB2 LYS 20 7.617 -1.604 0.234
174 HB3 LYS 20 HB3 LYS 20 6.927 -3.195 -0.159
175 HG2 LYS 20 HG2 LYS 20 7.592 -3.173 -2.388
176 HG3 LYS 20 HG3 LYS 20 7.747 -1.400 -2.491
177 HD2 LYS 20 HD2 LYS 20 9.791 -1.289 -1.404
178 HD3 LYS 20 HD3 LYS 20 9.631 -2.866 -0.578
179 HE2 LYS 20 HE2 LYS 20 9.781 -2.777 -3.629
180 HE3 LYS 20 HE3 LYS 20 11.272 -2.655 -2.655
181 HZ1 LYS 20 HZ1 LYS 20 9.305 -4.901 -2.164
182 HZ2 LYS 20 HZ2 LYS 20 10.967 -4.743 -1.666
183 HZ3 LYS 20 HZ3 LYS 20 10.586 -4.997 -3.347
184 H CYS 21 H CYS 21 4.430 -3.701 -0.361
185 HA CYS 21 HA CYS 21 2.555 -2.478 1.547
186 HB2 CYS 21 HB2 CYS 21 1.818 -4.293 0.011
187 HB3 CYS 21 HB3 CYS 21 3.057 -5.395 0.688
188 H PHE 22 H PHE 22 2.476 -3.135 3.884
189 HA PHE 22 HA PHE 22 5.170 -4.001 4.872
190 HB2 PHE 22 HB2 PHE 22 4.354 -1.717 5.495
191 HB3 PHE 22 HB3 PHE 22 2.890 -2.438 6.211
192 HD1 PHE 22 HD1 PHE 22 6.637 -3.239 6.452
193 HD2 PHE 22 HD2 PHE 22 2.994 -2.356 8.582
194 HE1 PHE 22 HE1 PHE 22 7.867 -3.261 8.567
195 HE2 PHE 22 HE2 PHE 22 4.247 -2.386 10.701
196 HZ PHE 22 HZ PHE 22 6.692 -2.808 10.706
197 H ARG 23 H ARG 23 3.796 -6.020 3.834
198 HA ARG 23 HA ARG 23 3.401 -7.680 6.166
199 HB2 ARG 23 HB2 ARG 23 1.197 -6.488 5.926
200 HB3 ARG 23 HB3 ARG 23 0.968 -7.262 4.333
201 HG2 ARG 23 HG2 ARG 23 0.918 -9.488 5.403
202 HG3 ARG 23 HG3 ARG 23 1.354 -8.799 6.996
203 HD2 ARG 23 HD2 ARG 23 -1.092 -7.617 5.686
204 HD3 ARG 23 HD3 ARG 23 -1.287 -9.255 6.242
205 HE ARG 23 HE ARG 23 -0.870 -6.777 7.826
206 HH11 ARG 23 HH12 ARG 23 -0.665 -10.380 8.024
207 HH12 ARG 23 HH11 ARG 23 -1.020 -10.346 9.745
208 HH21 ARG 23 HH22 ARG 23 -1.277 -6.875 10.009
209 HH22 ARG 23 HH21 ARG 23 -1.316 -8.427 10.846
210 H CYS 24 H CYS 24 2.567 -7.587 2.549
211 HA CYS 24 HA CYS 24 4.164 -10.117 2.308
212 HB2 CYS 24 HB2 CYS 24 2.928 -10.459 0.198
213 HB3 CYS 24 HB3 CYS 24 1.808 -10.303 1.582
214 H GLY 25 H GLY 25 4.771 -6.747 1.918
215 HA2 GLY 25 HA2 GLY 25 6.447 -5.702 0.757
216 HA3 GLY 25 HA3 GLY 25 7.127 -7.322 0.478
217 H ALA 26 H ALA 26 3.881 -7.044 -0.914
218 HA ALA 26 HA ALA 26 5.210 -7.042 -3.539
219 HB1 ALA 26 HB1 ALA 26 2.238 -7.360 -2.832
220 HB2 ALA 26 HB2 ALA 26 3.007 -7.574 -4.435
221 HB3 ALA 26 HB3 ALA 26 3.417 -8.687 -3.089
222 H ASP 27 H ASP 27 5.234 -5.134 -4.860
223 HA ASP 27 HA ASP 27 4.297 -2.696 -3.689
224 HB2 ASP 27 HB2 ASP 27 6.205 -2.971 -5.380
225 HB3 ASP 27 HB3 ASP 27 4.960 -3.145 -6.651
226 H LYS 28 H LYS 28 2.470 -1.303 -4.394
227 HA LYS 28 HA LYS 28 0.090 -2.683 -5.000
228 HB2 LYS 28 HB2 LYS 28 -0.858 -0.504 -5.762
229 HB3 LYS 28 HB3 LYS 28 -0.107 -0.417 -4.155
230 HG2 LYS 28 HG2 LYS 28 1.583 1.040 -4.823
231 HG3 LYS 28 HG3 LYS 28 1.726 0.285 -6.419
232 HD2 LYS 28 HD2 LYS 28 0.983 2.515 -6.773
233 HD3 LYS 28 HD3 LYS 28 -0.347 1.412 -7.204
234 HE2 LYS 28 HE2 LYS 28 -1.462 1.927 -5.013
235 HE3 LYS 28 HE3 LYS 28 -0.081 2.963 -4.542
236 HZ1 LYS 28 HZ1 LYS 28 -0.556 4.425 -6.473
237 HZ2 LYS 28 HZ2 LYS 28 -1.922 4.313 -5.393
238 HZ3 LYS 28 HZ3 LYS 28 -1.923 3.422 -6.900
239 H PHE 29 H PHE 29 2.735 -1.683 -7.253
240 HA PHE 29 HA PHE 29 0.877 -2.294 -9.525
241 HB2 PHE 29 HB2 PHE 29 2.258 0.055 -8.887
242 HB3 PHE 29 HB3 PHE 29 3.380 -0.700 -10.023
243 HD1 PHE 29 HD2 PHE 29 1.693 -1.976 -12.039
244 HD2 PHE 29 HD1 PHE 29 1.003 1.725 -9.945
245 HE1 PHE 29 HE2 PHE 29 0.240 -1.196 -13.875
246 HE2 PHE 29 HE1 PHE 29 -0.412 2.506 -11.798
247 HZ PHE 29 HZ PHE 29 -0.812 1.049 -13.768
248 H ASP 30 H ASP 30 2.148 -4.384 -7.943
249 HA ASP 30 HA ASP 30 4.636 -5.070 -9.328
250 HB2 ASP 30 HB2 ASP 30 4.304 -5.703 -6.972
251 HB3 ASP 30 HB3 ASP 30 2.852 -6.657 -7.386
252 HN1 NH2 31 HN1 NH2 31 3.400 -7.629 -11.601
253 HN2 NH2 31 HN2 NH2 31 4.787 -7.146 -10.700
254 H1 AQN 32 H1 AQN 2 2.470 1.302 6.922
255 H5 AQN 32 H5 AQN 2 -2.584 1.520 6.554
256 H6 AQN 32 H6 AQN 2 -4.824 1.479 7.668
257 H7 AQN 32 H7 AQN 2 -4.997 1.002 10.067
258 H8 AQN 32 H8 AQN 2 -2.961 0.815 11.456
259 H12 AQN 32 H12 AQN 2 2.083 1.049 11.858
260 H13 AQN 32 H13 AQN 2 4.302 1.138 10.801
Start of MODEL 8
1 H1 ACE 0 H1 ACE 0 1.835 16.321 2.450
2 H2 ACE 0 H2 ACE 0 2.225 14.928 3.479
3 H3 ACE 0 H3 ACE 0 0.897 16.013 3.938
4 H LYS 1 H LYS 1 1.934 14.122 1.054
5 HA LYS 1 HA LYS 1 -0.886 13.677 0.315
6 HB2 LYS 1 HB2 LYS 1 0.857 14.108 -1.379
7 HB3 LYS 1 HB3 LYS 1 1.719 12.627 -0.903
8 HG2 LYS 1 HG2 LYS 1 0.507 11.460 -2.415
9 HG3 LYS 1 HG3 LYS 1 -0.978 11.751 -1.469
10 HD2 LYS 1 HD2 LYS 1 0.144 13.620 -3.623
11 HD3 LYS 1 HD3 LYS 1 -1.046 12.338 -3.953
12 HE2 LYS 1 HE2 LYS 1 -2.799 13.374 -2.798
13 HE3 LYS 1 HE3 LYS 1 -1.726 14.376 -1.783
14 HZ1 LYS 1 HZ1 LYS 1 -2.035 14.777 -4.750
15 HZ2 LYS 1 HZ2 LYS 1 -1.124 15.762 -3.617
16 HZ3 LYS 1 HZ3 LYS 1 -2.860 15.693 -3.495
17 H PHE 2 H PHE 2 -1.769 12.396 2.062
18 HA PHE 2 HA PHE 2 -0.381 9.776 2.611
19 HB2 PHE 2 HB2 PHE 2 -1.968 9.636 4.573
20 HB3 PHE 2 HB3 PHE 2 -0.724 10.895 4.657
21 HD1 PHE 2 HD1 PHE 2 -4.410 10.349 4.170
22 HD2 PHE 2 HD2 PHE 2 -1.276 13.233 4.781
23 HE1 PHE 2 HE1 PHE 2 -6.085 12.150 4.276
24 HE2 PHE 2 HE2 PHE 2 -2.966 15.021 4.959
25 HZ PHE 2 HZ PHE 2 -5.374 14.496 4.661
26 H GLU 3 H GLU 3 -1.401 9.992 0.057
27 HA GLU 3 HA GLU 3 -4.181 9.055 0.068
28 HB2 GLU 3 HB2 GLU 3 -3.383 10.480 -1.711
29 HB3 GLU 3 HB3 GLU 3 -2.115 9.326 -2.194
30 HG2 GLU 3 HG2 GLU 3 -3.611 7.925 -3.298
31 HG3 GLU 3 HG3 GLU 3 -4.888 8.121 -2.071
32 H ASP 4 H ASP 4 -3.710 7.248 1.604
33 HA ASP 4 HA ASP 4 -1.761 5.266 1.041
34 HB2 ASP 4 HB2 ASP 4 -4.455 4.989 2.500
35 HB3 ASP 4 HB3 ASP 4 -3.070 3.883 2.663
36 H TRP 5 H TRP 5 -2.353 2.844 0.511
37 HA TRP 5 HA TRP 5 -4.561 2.716 -1.501
38 HB2 TRP 5 HB2 TRP 5 -2.902 1.545 -3.066
39 HB3 TRP 5 HB3 TRP 5 -2.642 3.296 -2.824
40 HD1 TRP 5 HD1 TRP 5 -0.504 4.083 -1.598
41 HE1 TRP 5 HE1 TRP 5 1.692 2.977 -0.989
42 HE3 TRP 5 HE3 TRP 5 -1.915 -0.882 -1.984
43 HZ2 TRP 5 HZ2 TRP 5 2.805 0.467 -0.928
44 HZ3 TRP 5 HZ3 TRP 5 -0.072 -2.597 -1.808
45 HH2 TRP 5 HH2 TRP 5 2.238 -1.914 -1.437
46 H LEU 6 H LEU 6 -5.044 0.445 -2.187
47 HA LEU 6 HA LEU 6 -4.880 -1.158 0.316
48 HB2 LEU 6 HB2 LEU 6 -7.012 -0.069 -0.784
49 HB3 LEU 6 HB3 LEU 6 -7.015 -1.531 -1.805
50 HG LEU 6 HG LEU 6 -6.988 -1.478 1.310
51 HD11 LEU 6 HD11 LEU 6 -9.062 -0.437 0.487
52 HD12 LEU 6 HD12 LEU 6 -9.409 -2.048 1.170
53 HD13 LEU 6 HD13 LEU 6 -9.361 -1.823 -0.607
54 HD21 LEU 6 HD21 LEU 6 -6.094 -3.617 0.318
55 HD22 LEU 6 HD22 LEU 6 -7.602 -3.792 -0.641
56 HD23 LEU 6 HD23 LEU 6 -7.655 -3.865 1.151
57 H CYS 7 H CYS 7 -3.513 -2.978 0.194
58 HA CYS 7 HA CYS 7 -2.193 -3.489 -2.252
59 HB2 CYS 7 HB2 CYS 7 -1.235 -3.975 0.017
60 HB3 CYS 7 HB3 CYS 7 -2.459 -5.259 0.262
61 H ASN 8 H ASN 8 -2.229 -5.438 -3.646
62 HA ASN 8 HA ASN 8 -5.012 -6.555 -3.790
63 HB2 ASN 8 HB2 ASN 8 -3.495 -5.157 -5.700
64 HB3 ASN 8 HB3 ASN 8 -3.192 -6.832 -6.162
65 HD21 ASN 8 HD21 ASN 8 -5.580 -4.202 -6.120
66 HD22 ASN 8 HD22 ASN 8 -6.849 -5.120 -6.837
67 H LYS 9 H LYS 9 -2.973 -7.513 -1.906
68 HA LYS 9 HA LYS 9 -2.553 -10.266 -2.994
69 HB2 LYS 9 HB2 LYS 9 -0.526 -8.498 -3.093
70 HB3 LYS 9 HB3 LYS 9 -0.410 -8.829 -1.363
71 HG2 LYS 9 HG2 LYS 9 1.077 -10.399 -2.072
72 HG3 LYS 9 HG3 LYS 9 -0.401 -11.405 -2.119
73 HD2 LYS 9 HD2 LYS 9 -0.547 -11.062 -4.599
74 HD3 LYS 9 HD3 LYS 9 0.736 -9.816 -4.531
75 HE2 LYS 9 HE2 LYS 9 1.750 -11.772 -5.419
76 HE3 LYS 9 HE3 LYS 9 2.418 -11.492 -3.790
77 HZ1 LYS 9 HZ1 LYS 9 0.269 -13.499 -4.522
78 HZ2 LYS 9 HZ2 LYS 9 0.960 -13.283 -2.916
79 HZ3 LYS 9 HZ3 LYS 9 1.956 -13.842 -4.227
80 H CYS 10 H CYS 10 -2.054 -8.185 0.042
81 HA CYS 10 HA CYS 10 -3.299 -10.396 1.603
82 HB2 CYS 10 HB2 CYS 10 -2.117 -9.405 3.470
83 HB3 CYS 10 HB3 CYS 10 -0.952 -9.580 2.143
84 H CYS 11 H CYS 11 -4.404 -7.545 0.039
85 HA CYS 11 HA CYS 11 -6.173 -6.212 0.420
86 HB2 CYS 11 HB2 CYS 11 -7.087 -8.618 0.553
87 HB3 CYS 11 HB3 CYS 11 -7.172 -8.389 2.327
88 HG CYS 11 HG CYS 11 -8.633 -6.728 0.191
89 H LEU 12 H LEU 12 -3.952 -5.407 2.008
90 HA LEU 12 HA LEU 12 -5.394 -4.396 4.448
91 HB2 LEU 12 HB2 LEU 12 -3.344 -5.940 4.763
92 HB3 LEU 12 HB3 LEU 12 -2.379 -4.666 4.001
93 HG LEU 12 HG LEU 12 -3.541 -3.111 5.926
94 HD11 LEU 12 HD11 LEU 12 -3.395 -5.803 7.393
95 HD12 LEU 12 HD12 LEU 12 -4.940 -5.126 6.790
96 HD13 LEU 12 HD13 LEU 12 -3.985 -4.253 8.014
97 HD21 LEU 12 HD21 LEU 12 -1.212 -4.971 6.498
98 HD22 LEU 12 HD22 LEU 12 -1.573 -3.466 7.367
99 HD23 LEU 12 HD23 LEU 12 -1.106 -3.395 5.644
100 H ASN 13 H ASN 13 -5.237 -2.062 4.730
101 HA ASN 13 HA ASN 13 -4.420 -0.500 2.433
102 HB2 ASN 13 HB2 ASN 13 -6.225 0.259 3.805
103 HB3 ASN 13 HB3 ASN 13 -5.241 0.208 5.286
104 HD21 ASN 13 HD21 ASN 13 -3.816 1.993 5.777
105 HD22 ASN 13 HD22 ASN 13 -3.861 3.432 4.845
106 H ASN 14 H ASN 14 -2.518 0.940 2.240
107 HA ASN 14 HA ASN 14 -0.465 0.631 4.357
108 HB2 ASN 14 HB2 ASN 14 0.137 0.086 1.382
109 HB3 ASN 14 HB3 ASN 14 1.300 0.044 2.735
110 HD21 ASN 14 HD21 ASN 14 -1.575 -1.616 1.301
111 HD22 ASN 14 HD22 ASN 14 -1.437 -3.049 2.254
112 H PHE 15 H PHE 15 1.221 2.334 4.206
113 HA PHE 15 HA PHE 15 -0.141 4.767 3.691
114 HB2 PHE 15 HB2 PHE 15 2.773 4.140 4.234
115 HB3 PHE 15 HB3 PHE 15 2.285 5.790 3.840
116 HD1 PHE 15 HD1 PHE 15 0.173 3.486 6.011
117 HD2 PHE 15 HD2 PHE 15 2.920 6.808 5.874
118 HE1 PHE 15 HE1 PHE 15 -0.233 3.933 8.385
119 HE2 PHE 15 HE2 PHE 15 2.419 7.303 8.230
120 HZ PHE 15 HZ PHE 15 0.870 5.847 9.512
121 H ARG 16 H ARG 16 0.594 6.579 2.265
122 HA ARG 16 HA ARG 16 0.733 5.727 -0.458
123 HB2 ARG 16 HB2 ARG 16 -0.257 7.842 0.054
124 HB3 ARG 16 HB3 ARG 16 1.168 8.439 0.920
125 HG2 ARG 16 HG2 ARG 16 1.029 9.528 -1.201
126 HG3 ARG 16 HG3 ARG 16 2.510 8.551 -1.147
127 HD2 ARG 16 HD2 ARG 16 1.357 6.784 -2.550
128 HD3 ARG 16 HD3 ARG 16 -0.125 7.812 -2.541
129 HE ARG 16 HE ARG 16 2.139 9.342 -3.472
130 HH11 ARG 16 HH12 ARG 16 0.016 6.633 -4.537
131 HH12 ARG 16 HH11 ARG 16 0.280 7.013 -6.235
132 HH21 ARG 16 HH22 ARG 16 2.419 9.727 -5.659
133 HH22 ARG 16 HH21 ARG 16 1.611 8.717 -6.862
134 H LYS 17 H LYS 17 3.207 7.438 1.587
135 HA LYS 17 HA LYS 17 5.148 7.493 -0.462
136 HB2 LYS 17 HB2 LYS 17 5.664 7.352 2.571
137 HB3 LYS 17 HB3 LYS 17 6.834 7.836 1.317
138 HG2 LYS 17 HG2 LYS 17 6.128 10.008 1.534
139 HG3 LYS 17 HG3 LYS 17 4.575 9.507 0.820
140 HD2 LYS 17 HD2 LYS 17 3.795 8.922 3.219
141 HD3 LYS 17 HD3 LYS 17 5.319 9.607 3.811
142 HE2 LYS 17 HE2 LYS 17 3.736 11.422 1.959
143 HE3 LYS 17 HE3 LYS 17 2.908 10.988 3.471
144 HZ1 LYS 17 HZ1 LYS 17 4.778 11.801 4.778
145 HZ2 LYS 17 HZ2 LYS 17 4.170 13.031 3.706
146 HZ3 LYS 17 HZ3 LYS 17 5.663 12.201 3.311
147 H ARG 18 H ARG 18 4.295 4.902 1.903
148 HA ARG 18 HA ARG 18 6.518 3.214 1.272
149 HB2 ARG 18 HB2 ARG 18 3.633 2.489 2.011
150 HB3 ARG 18 HB3 ARG 18 4.976 1.334 1.862
151 HG2 ARG 18 HG2 ARG 18 4.970 3.681 3.847
152 HG3 ARG 18 HG3 ARG 18 4.471 2.001 4.201
153 HD2 ARG 18 HD2 ARG 18 6.651 2.103 5.012
154 HD3 ARG 18 HD3 ARG 18 6.846 1.335 3.396
155 HE ARG 18 HE ARG 18 7.160 4.241 3.279
156 HH11 ARG 18 HH12 ARG 18 8.877 1.305 4.473
157 HH12 ARG 18 HH11 ARG 18 10.449 2.063 4.249
158 HH21 ARG 18 HH22 ARG 18 9.203 5.099 3.023
159 HH22 ARG 18 HH21 ARG 18 10.633 4.164 3.462
160 H LEU 19 H LEU 19 7.090 2.861 -0.880
161 HA LEU 19 HA LEU 19 5.135 2.744 -3.013
162 HB2 LEU 19 HB2 LEU 19 7.973 1.573 -2.861
163 HB3 LEU 19 HB3 LEU 19 7.019 1.829 -4.337
164 HG LEU 19 HG LEU 19 7.127 4.385 -2.892
165 HD11 LEU 19 HD11 LEU 19 9.220 3.505 -1.774
166 HD12 LEU 19 HD12 LEU 19 9.565 4.848 -2.895
167 HD13 LEU 19 HD13 LEU 19 9.912 3.162 -3.389
168 HD21 LEU 19 HD21 LEU 19 8.488 3.547 -5.511
169 HD22 LEU 19 HD22 LEU 19 8.169 5.221 -4.959
170 HD23 LEU 19 HD23 LEU 19 6.799 4.137 -5.345
171 H LYS 20 H LYS 20 6.460 0.416 -0.579
172 HA LYS 20 HA LYS 20 5.087 -1.809 -2.047
173 HB2 LYS 20 HB2 LYS 20 7.621 -1.601 -0.364
174 HB3 LYS 20 HB3 LYS 20 6.752 -3.146 -0.436
175 HG2 LYS 20 HG2 LYS 20 7.174 -3.529 -2.672
176 HG3 LYS 20 HG3 LYS 20 7.312 -1.803 -3.111
177 HD2 LYS 20 HD2 LYS 20 9.487 -1.557 -2.267
178 HD3 LYS 20 HD3 LYS 20 9.428 -3.056 -1.286
179 HE2 LYS 20 HE2 LYS 20 9.559 -4.482 -3.207
180 HE3 LYS 20 HE3 LYS 20 9.255 -3.144 -4.356
181 HZ1 LYS 20 HZ1 LYS 20 11.379 -2.161 -3.874
182 HZ2 LYS 20 HZ2 LYS 20 11.647 -3.858 -4.190
183 HZ3 LYS 20 HZ3 LYS 20 11.681 -3.264 -2.548
184 H CYS 21 H CYS 21 4.247 -3.576 -0.586
185 HA CYS 21 HA CYS 21 2.384 -2.211 1.171
186 HB2 CYS 21 HB2 CYS 21 1.740 -4.233 -0.173
187 HB3 CYS 21 HB3 CYS 21 2.930 -5.213 0.731
188 H PHE 22 H PHE 22 2.287 -2.446 3.562
189 HA PHE 22 HA PHE 22 4.935 -3.200 4.730
190 HB2 PHE 22 HB2 PHE 22 4.055 -0.854 5.034
191 HB3 PHE 22 HB3 PHE 22 2.623 -1.521 5.857
192 HD1 PHE 22 HD2 PHE 22 6.431 -1.824 5.987
193 HD2 PHE 22 HD1 PHE 22 2.784 -1.428 8.245
194 HE1 PHE 22 HE2 PHE 22 7.721 -1.843 8.086
195 HE2 PHE 22 HE1 PHE 22 4.099 -1.314 10.328
196 HZ PHE 22 HZ PHE 22 6.569 -1.558 10.264
197 H ARG 23 H ARG 23 3.271 -5.286 3.795
198 HA ARG 23 HA ARG 23 3.034 -6.634 6.368
199 HB2 ARG 23 HB2 ARG 23 0.669 -5.812 5.490
200 HB3 ARG 23 HB3 ARG 23 0.764 -7.176 4.362
201 HG2 ARG 23 HG2 ARG 23 1.552 -8.370 6.775
202 HG3 ARG 23 HG3 ARG 23 0.342 -7.194 7.350
203 HD2 ARG 23 HD2 ARG 23 -0.118 -9.307 5.139
204 HD3 ARG 23 HD3 ARG 23 -0.350 -9.587 6.907
205 HE ARG 23 HE ARG 23 -1.942 -7.349 6.172
206 HH11 ARG 23 HH12 ARG 23 -1.779 -10.922 5.723
207 HH12 ARG 23 HH11 ARG 23 -3.528 -11.070 5.705
208 HH21 ARG 23 HH22 ARG 23 -4.200 -7.677 6.128
209 HH22 ARG 23 HH21 ARG 23 -4.860 -9.291 5.902
210 H CYS 24 H CYS 24 2.427 -7.146 2.739
211 HA CYS 24 HA CYS 24 4.117 -9.603 2.957
212 HB2 CYS 24 HB2 CYS 24 3.052 -10.213 0.813
213 HB3 CYS 24 HB3 CYS 24 1.830 -9.902 2.081
214 H GLY 25 H GLY 25 4.710 -6.271 2.204
215 HA2 GLY 25 HA2 GLY 25 6.517 -5.381 1.105
216 HA3 GLY 25 HA3 GLY 25 7.169 -7.029 0.983
217 H ALA 26 H ALA 26 4.026 -6.891 -0.612
218 HA ALA 26 HA ALA 26 5.487 -6.988 -3.166
219 HB1 ALA 26 HB1 ALA 26 2.477 -7.275 -2.578
220 HB2 ALA 26 HB2 ALA 26 3.310 -7.618 -4.128
221 HB3 ALA 26 HB3 ALA 26 3.653 -8.628 -2.684
222 H ASP 27 H ASP 27 4.929 -5.468 -4.960
223 HA ASP 27 HA ASP 27 4.281 -2.819 -3.874
224 HB2 ASP 27 HB2 ASP 27 6.169 -3.302 -5.517
225 HB3 ASP 27 HB3 ASP 27 4.912 -3.476 -6.777
226 H LYS 28 H LYS 28 2.401 -1.549 -4.497
227 HA LYS 28 HA LYS 28 0.028 -2.920 -5.122
228 HB2 LYS 28 HB2 LYS 28 -0.865 -0.732 -6.004
229 HB3 LYS 28 HB3 LYS 28 -0.194 -0.616 -4.360
230 HG2 LYS 28 HG2 LYS 28 1.671 0.679 -5.018
231 HG3 LYS 28 HG3 LYS 28 1.669 0.022 -6.667
232 HD2 LYS 28 HD2 LYS 28 1.098 2.287 -6.818
233 HD3 LYS 28 HD3 LYS 28 -0.339 1.336 -7.275
234 HE2 LYS 28 HE2 LYS 28 -1.462 1.870 -5.187
235 HE3 LYS 28 HE3 LYS 28 0.050 2.455 -4.424
236 HZ1 LYS 28 HZ1 LYS 28 -1.238 3.774 -6.826
237 HZ2 LYS 28 HZ2 LYS 28 0.154 4.327 -5.924
238 HZ3 LYS 28 HZ3 LYS 28 -1.410 4.305 -5.162
239 H PHE 29 H PHE 29 2.713 -1.939 -7.365
240 HA PHE 29 HA PHE 29 0.899 -2.640 -9.653
241 HB2 PHE 29 HB2 PHE 29 2.091 -0.191 -9.059
242 HB3 PHE 29 HB3 PHE 29 3.367 -0.919 -10.035
243 HD1 PHE 29 HD2 PHE 29 -0.302 -0.156 -9.814
244 HD2 PHE 29 HD1 PHE 29 2.965 -0.973 -12.493
245 HE1 PHE 29 HE2 PHE 29 -1.686 0.583 -11.726
246 HE2 PHE 29 HE1 PHE 29 1.578 -0.224 -14.401
247 HZ PHE 29 HZ PHE 29 -0.743 0.565 -14.022
248 H ASP 30 H ASP 30 2.250 -4.654 -8.028
249 HA ASP 30 HA ASP 30 4.823 -5.218 -9.100
250 HB2 ASP 30 HB2 ASP 30 4.516 -7.494 -8.226
251 HB3 ASP 30 HB3 ASP 30 3.969 -6.290 -7.030
252 HN1 NH2 31 HN1 NH2 31 1.998 -6.782 -11.736
253 HN2 NH2 31 HN2 NH2 31 1.452 -6.094 -10.255
254 H1 AQN 32 H1 AQN 2 2.571 1.914 6.916
255 H5 AQN 32 H5 AQN 2 -1.611 -0.914 7.381
256 H6 AQN 32 H6 AQN 2 -3.212 -2.147 8.821
257 H7 AQN 32 H7 AQN 2 -2.999 -2.045 11.288
258 H8 AQN 32 H8 AQN 2 -1.312 -0.563 12.315
259 H12 AQN 32 H12 AQN 2 2.451 2.791 11.794
260 H13 AQN 32 H13 AQN 2 4.101 3.946 10.377
Start of MODEL 9
1 H1 ACE 0 H1 ACE 0 -3.245 11.375 -8.127
2 H2 ACE 0 H2 ACE 0 -1.713 11.955 -7.444
3 H3 ACE 0 H3 ACE 0 -3.132 13.021 -7.447
4 H LYS 1 H LYS 1 -2.303 9.678 -6.390
5 HA LYS 1 HA LYS 1 -4.222 9.851 -4.178
6 HB2 LYS 1 HB2 LYS 1 -3.943 7.771 -5.259
7 HB3 LYS 1 HB3 LYS 1 -2.181 7.700 -4.958
8 HG2 LYS 1 HG2 LYS 1 -2.416 7.220 -2.664
9 HG3 LYS 1 HG3 LYS 1 -4.015 8.003 -2.539
10 HD2 LYS 1 HD2 LYS 1 -4.192 5.578 -2.287
11 HD3 LYS 1 HD3 LYS 1 -5.114 6.160 -3.699
12 HE2 LYS 1 HE2 LYS 1 -3.286 5.364 -5.244
13 HE3 LYS 1 HE3 LYS 1 -2.342 4.818 -3.840
14 HZ1 LYS 1 HZ1 LYS 1 -3.520 2.943 -4.753
15 HZ2 LYS 1 HZ2 LYS 1 -5.032 3.815 -4.810
16 HZ3 LYS 1 HZ3 LYS 1 -4.374 3.337 -3.280
17 H PHE 2 H PHE 2 -3.449 11.730 -2.941
18 HA PHE 2 HA PHE 2 -0.684 11.522 -1.867
19 HB2 PHE 2 HB2 PHE 2 -2.806 13.670 -1.387
20 HB3 PHE 2 HB3 PHE 2 -1.068 13.760 -0.996
21 HD1 PHE 2 HD1 PHE 2 0.559 13.221 -3.084
22 HD2 PHE 2 HD2 PHE 2 -3.461 14.712 -3.447
23 HE1 PHE 2 HE1 PHE 2 1.077 14.075 -5.339
24 HE2 PHE 2 HE2 PHE 2 -2.915 15.623 -5.671
25 HZ PHE 2 HZ PHE 2 -0.649 15.303 -6.633
26 H GLU 3 H GLU 3 -2.202 9.284 -0.974
27 HA GLU 3 HA GLU 3 -2.050 9.811 1.859
28 HB2 GLU 3 HB2 GLU 3 -4.599 10.277 0.539
29 HB3 GLU 3 HB3 GLU 3 -4.761 8.708 1.361
30 HG2 GLU 3 HG2 GLU 3 -4.090 9.783 3.541
31 HG3 GLU 3 HG3 GLU 3 -3.829 11.335 2.695
32 H ASP 4 H ASP 4 -2.802 7.747 3.095
33 HA ASP 4 HA ASP 4 -1.321 5.581 2.313
34 HB2 ASP 4 HB2 ASP 4 -3.013 4.194 3.758
35 HB3 ASP 4 HB3 ASP 4 -2.268 5.621 4.529
36 H TRP 5 H TRP 5 -1.955 3.335 1.575
37 HA TRP 5 HA TRP 5 -4.161 3.416 -0.454
38 HB2 TRP 5 HB2 TRP 5 -2.496 2.357 -2.087
39 HB3 TRP 5 HB3 TRP 5 -2.141 4.048 -1.612
40 HD1 TRP 5 HD1 TRP 5 0.015 4.539 -0.320
41 HE1 TRP 5 HE1 TRP 5 2.109 3.213 0.207
42 HE3 TRP 5 HE3 TRP 5 -1.722 -0.221 -1.368
43 HZ2 TRP 5 HZ2 TRP 5 3.012 0.621 0.107
44 HZ3 TRP 5 HZ3 TRP 5 -0.029 -2.094 -1.245
45 HH2 TRP 5 HH2 TRP 5 2.289 -1.634 -0.703
46 H LEU 6 H LEU 6 -4.611 1.141 -1.315
47 HA LEU 6 HA LEU 6 -4.349 -0.692 1.028
48 HB2 LEU 6 HB2 LEU 6 -6.506 0.597 0.533
49 HB3 LEU 6 HB3 LEU 6 -6.754 -0.506 -0.845
50 HG LEU 6 HG LEU 6 -6.383 -1.352 2.129
51 HD11 LEU 6 HD11 LEU 6 -8.812 -1.788 2.157
52 HD12 LEU 6 HD12 LEU 6 -8.964 -1.180 0.478
53 HD13 LEU 6 HD13 LEU 6 -8.493 -0.069 1.805
54 HD21 LEU 6 HD21 LEU 6 -5.700 -3.168 0.607
55 HD22 LEU 6 HD22 LEU 6 -7.205 -2.984 -0.355
56 HD23 LEU 6 HD23 LEU 6 -7.278 -3.567 1.339
57 H CYS 7 H CYS 7 -3.105 -2.514 0.507
58 HA CYS 7 HA CYS 7 -2.077 -2.790 -2.067
59 HB2 CYS 7 HB2 CYS 7 -1.168 -3.819 0.131
60 HB3 CYS 7 HB3 CYS 7 -2.441 -5.065 -0.010
61 H ASN 8 H ASN 8 -2.564 -4.234 -3.876
62 HA ASN 8 HA ASN 8 -5.423 -5.139 -3.844
63 HB2 ASN 8 HB2 ASN 8 -3.816 -3.742 -5.808
64 HB3 ASN 8 HB3 ASN 8 -4.084 -5.357 -6.458
65 HD21 ASN 8 HD21 ASN 8 -5.574 -2.221 -5.955
66 HD22 ASN 8 HD22 ASN 8 -7.160 -2.712 -6.415
67 H LYS 9 H LYS 9 -2.913 -6.540 -2.572
68 HA LYS 9 HA LYS 9 -3.092 -9.066 -4.156
69 HB2 LYS 9 HB2 LYS 9 -0.904 -7.414 -3.922
70 HB3 LYS 9 HB3 LYS 9 -0.631 -8.424 -2.479
71 HG2 LYS 9 HG2 LYS 9 -1.043 -9.420 -5.362
72 HG3 LYS 9 HG3 LYS 9 0.539 -9.218 -4.562
73 HD2 LYS 9 HD2 LYS 9 0.068 -10.939 -2.912
74 HD3 LYS 9 HD3 LYS 9 -1.636 -11.090 -3.437
75 HE2 LYS 9 HE2 LYS 9 -0.942 -11.908 -5.670
76 HE3 LYS 9 HE3 LYS 9 0.784 -11.711 -5.237
77 HZ1 LYS 9 HZ1 LYS 9 -1.183 -13.541 -3.835
78 HZ2 LYS 9 HZ2 LYS 9 0.532 -13.392 -3.488
79 HZ3 LYS 9 HZ3 LYS 9 -0.007 -14.028 -5.029
80 H CYS 10 H CYS 10 -2.202 -7.777 -0.805
81 HA CYS 10 HA CYS 10 -3.689 -10.118 0.321
82 HB2 CYS 10 HB2 CYS 10 -2.428 -9.657 2.347
83 HB3 CYS 10 HB3 CYS 10 -1.282 -9.703 0.976
84 H CYS 11 H CYS 11 -4.563 -6.930 -0.567
85 HA CYS 11 HA CYS 11 -6.223 -5.590 0.198
86 HB2 CYS 11 HB2 CYS 11 -7.258 -8.039 1.704
87 HB3 CYS 11 HB3 CYS 11 -8.177 -6.639 1.069
88 HG CYS 11 HG CYS 11 -6.752 -8.774 -0.603
89 H LEU 12 H LEU 12 -3.818 -5.271 1.790
90 HA LEU 12 HA LEU 12 -5.045 -4.743 4.476
91 HB2 LEU 12 HB2 LEU 12 -3.433 -6.548 4.463
92 HB3 LEU 12 HB3 LEU 12 -2.164 -5.520 3.752
93 HG LEU 12 HG LEU 12 -3.434 -4.527 6.327
94 HD11 LEU 12 HD11 LEU 12 -1.460 -6.866 6.292
95 HD12 LEU 12 HD12 LEU 12 -3.140 -6.877 6.920
96 HD13 LEU 12 HD13 LEU 12 -1.897 -5.893 7.730
97 HD21 LEU 12 HD21 LEU 12 -0.471 -4.676 5.463
98 HD22 LEU 12 HD22 LEU 12 -1.195 -3.620 6.719
99 HD23 LEU 12 HD23 LEU 12 -1.562 -3.354 4.989
100 H ASN 13 H ASN 13 -4.521 -2.621 5.423
101 HA ASN 13 HA ASN 13 -4.165 -0.681 3.282
102 HB2 ASN 13 HB2 ASN 13 -5.944 -0.591 5.025
103 HB3 ASN 13 HB3 ASN 13 -4.693 -0.152 6.224
104 HD21 ASN 13 HD21 ASN 13 -6.991 1.538 5.456
105 HD22 ASN 13 HD22 ASN 13 -6.331 2.941 4.697
106 H ASN 14 H ASN 14 -2.413 0.918 3.155
107 HA ASN 14 HA ASN 14 -0.016 0.164 4.820
108 HB2 ASN 14 HB2 ASN 14 -0.027 0.823 1.855
109 HB3 ASN 14 HB3 ASN 14 1.233 -0.071 2.751
110 HD21 ASN 14 HD21 ASN 14 0.421 -2.345 3.619
111 HD22 ASN 14 HD22 ASN 14 -0.803 -3.139 2.672
112 H PHE 15 H PHE 15 1.591 2.055 4.960
113 HA PHE 15 HA PHE 15 0.120 4.550 4.847
114 HB2 PHE 15 HB2 PHE 15 3.082 3.984 5.412
115 HB3 PHE 15 HB3 PHE 15 2.403 5.620 5.439
116 HD1 PHE 15 HD1 PHE 15 0.137 5.923 6.825
117 HD2 PHE 15 HD2 PHE 15 3.153 2.954 7.596
118 HE1 PHE 15 HE1 PHE 15 -0.706 5.664 9.129
119 HE2 PHE 15 HE2 PHE 15 2.365 2.775 9.935
120 HZ PHE 15 HZ PHE 15 0.402 4.085 10.692
121 H ARG 16 H ARG 16 0.858 6.528 3.737
122 HA ARG 16 HA ARG 16 1.242 6.086 0.932
123 HB2 ARG 16 HB2 ARG 16 0.124 8.038 1.605
124 HB3 ARG 16 HB3 ARG 16 1.418 8.597 2.698
125 HG2 ARG 16 HG2 ARG 16 2.848 9.299 0.993
126 HG3 ARG 16 HG3 ARG 16 2.100 8.249 -0.244
127 HD2 ARG 16 HD2 ARG 16 0.209 9.683 -0.506
128 HD3 ARG 16 HD3 ARG 16 0.438 10.440 1.077
129 HE ARG 16 HE ARG 16 1.787 12.034 0.278
130 HH11 ARG 16 HH12 ARG 16 1.680 9.423 -2.221
131 HH12 ARG 16 HH11 ARG 16 2.574 10.413 -3.364
132 HH21 ARG 16 HH22 ARG 16 2.903 13.186 -1.258
133 HH22 ARG 16 HH21 ARG 16 3.248 12.489 -2.840
134 H LYS 17 H LYS 17 3.536 7.335 3.501
135 HA LYS 17 HA LYS 17 5.730 7.675 1.810
136 HB2 LYS 17 HB2 LYS 17 5.606 6.576 4.699
137 HB3 LYS 17 HB3 LYS 17 7.142 6.790 3.807
138 HG2 LYS 17 HG2 LYS 17 6.743 9.171 3.473
139 HG3 LYS 17 HG3 LYS 17 5.161 9.092 4.308
140 HD2 LYS 17 HD2 LYS 17 6.157 8.731 6.442
141 HD3 LYS 17 HD3 LYS 17 7.686 8.116 5.754
142 HE2 LYS 17 HE2 LYS 17 8.011 10.341 6.741
143 HE3 LYS 17 HE3 LYS 17 8.383 10.322 4.996
144 HZ1 LYS 17 HZ1 LYS 17 7.116 12.312 5.791
145 HZ2 LYS 17 HZ2 LYS 17 5.745 11.283 6.135
146 HZ3 LYS 17 HZ3 LYS 17 6.331 11.474 4.490
147 H ARG 18 H ARG 18 4.445 4.557 3.194
148 HA ARG 18 HA ARG 18 6.719 3.129 2.136
149 HB2 ARG 18 HB2 ARG 18 3.961 2.079 2.986
150 HB3 ARG 18 HB3 ARG 18 5.358 1.073 2.546
151 HG2 ARG 18 HG2 ARG 18 5.271 3.034 4.932
152 HG3 ARG 18 HG3 ARG 18 5.101 1.265 4.971
153 HD2 ARG 18 HD2 ARG 18 7.572 2.946 4.229
154 HD3 ARG 18 HD3 ARG 18 7.467 1.904 5.609
155 HE ARG 18 HE ARG 18 8.067 1.203 2.819
156 HH11 ARG 18 HH12 ARG 18 6.736 -0.188 5.877
157 HH12 ARG 18 HH11 ARG 18 7.186 -1.808 5.388
158 HH21 ARG 18 HH22 ARG 18 8.517 -0.921 2.293
159 HH22 ARG 18 HH21 ARG 18 8.126 -2.231 3.410
160 H LEU 19 H LEU 19 7.133 2.830 -0.056
161 HA LEU 19 HA LEU 19 4.882 3.043 -1.932
162 HB2 LEU 19 HB2 LEU 19 7.593 3.643 -2.188
163 HB3 LEU 19 HB3 LEU 19 7.598 1.945 -2.707
164 HG LEU 19 HG LEU 19 5.748 2.676 -4.419
165 HD11 LEU 19 HD11 LEU 19 6.703 5.488 -3.503
166 HD12 LEU 19 HD12 LEU 19 5.036 4.869 -3.348
167 HD13 LEU 19 HD13 LEU 19 5.724 5.163 -4.958
168 HD21 LEU 19 HD21 LEU 19 7.439 3.699 -5.974
169 HD22 LEU 19 HD22 LEU 19 8.122 2.306 -5.094
170 HD23 LEU 19 HD23 LEU 19 8.539 3.975 -4.589
171 H LYS 20 H LYS 20 6.363 0.487 0.066
172 HA LYS 20 HA LYS 20 5.106 -1.519 -1.749
173 HB2 LYS 20 HB2 LYS 20 7.659 -1.575 -0.044
174 HB3 LYS 20 HB3 LYS 20 6.893 -3.072 -0.641
175 HG2 LYS 20 HG2 LYS 20 7.278 -2.578 -2.912
176 HG3 LYS 20 HG3 LYS 20 7.569 -0.835 -2.624
177 HD2 LYS 20 HD2 LYS 20 9.700 -1.144 -1.705
178 HD3 LYS 20 HD3 LYS 20 9.469 -2.891 -1.392
179 HE2 LYS 20 HE2 LYS 20 9.644 -3.487 -3.690
180 HE3 LYS 20 HE3 LYS 20 9.427 -1.808 -4.266
181 HZ1 LYS 20 HZ1 LYS 20 11.568 -1.166 -3.464
182 HZ2 LYS 20 HZ2 LYS 20 11.782 -2.654 -4.353
183 HZ3 LYS 20 HZ3 LYS 20 11.798 -2.672 -2.603
184 H CYS 21 H CYS 21 4.326 -3.505 -0.653
185 HA CYS 21 HA CYS 21 2.674 -2.566 1.569
186 HB2 CYS 21 HB2 CYS 21 1.828 -4.108 -0.275
187 HB3 CYS 21 HB3 CYS 21 2.916 -5.385 0.347
188 H PHE 22 H PHE 22 2.986 -3.206 3.839
189 HA PHE 22 HA PHE 22 5.675 -4.305 4.296
190 HB2 PHE 22 HB2 PHE 22 4.793 -2.257 5.523
191 HB3 PHE 22 HB3 PHE 22 3.542 -3.296 6.234
192 HD1 PHE 22 HD2 PHE 22 7.265 -4.212 5.862
193 HD2 PHE 22 HD1 PHE 22 4.074 -3.087 8.541
194 HE1 PHE 22 HE2 PHE 22 8.726 -4.596 7.765
195 HE2 PHE 22 HE1 PHE 22 5.560 -3.515 10.450
196 HZ PHE 22 HZ PHE 22 7.902 -4.254 10.080
197 H ARG 23 H ARG 23 2.851 -5.907 3.591
198 HA ARG 23 HA ARG 23 3.273 -7.937 5.736
199 HB2 ARG 23 HB2 ARG 23 1.080 -6.846 5.771
200 HB3 ARG 23 HB3 ARG 23 0.752 -7.292 4.087
201 HG2 ARG 23 HG2 ARG 23 1.624 -9.708 5.547
202 HG3 ARG 23 HG3 ARG 23 0.439 -8.858 6.566
203 HD2 ARG 23 HD2 ARG 23 -0.253 -9.313 3.637
204 HD3 ARG 23 HD3 ARG 23 -0.201 -10.755 4.620
205 HE ARG 23 HE ARG 23 -2.257 -8.720 4.639
206 HH11 ARG 23 HH12 ARG 23 -0.547 -11.029 6.829
207 HH12 ARG 23 HH11 ARG 23 -1.958 -11.184 7.863
208 HH21 ARG 23 HH22 ARG 23 -3.999 -9.021 6.020
209 HH22 ARG 23 HH21 ARG 23 -3.858 -10.070 7.434
210 H CYS 24 H CYS 24 2.134 -7.755 2.191
211 HA CYS 24 HA CYS 24 3.501 -10.342 1.804
212 HB2 CYS 24 HB2 CYS 24 2.548 -10.316 -0.441
213 HB3 CYS 24 HB3 CYS 24 1.295 -10.038 0.797
214 H GLY 25 H GLY 25 4.590 -6.983 1.691
215 HA2 GLY 25 HA2 GLY 25 6.677 -6.275 0.951
216 HA3 GLY 25 HA3 GLY 25 7.053 -7.961 0.553
217 H ALA 26 H ALA 26 4.096 -6.906 -1.063
218 HA ALA 26 HA ALA 26 5.706 -6.878 -3.561
219 HB1 ALA 26 HB1 ALA 26 3.845 -8.586 -3.083
220 HB2 ALA 26 HB2 ALA 26 2.677 -7.235 -3.228
221 HB3 ALA 26 HB3 ALA 26 3.710 -7.690 -4.615
222 H ASP 27 H ASP 27 5.509 -5.002 -5.001
223 HA ASP 27 HA ASP 27 4.709 -2.614 -3.657
224 HB2 ASP 27 HB2 ASP 27 6.526 -2.844 -5.478
225 HB3 ASP 27 HB3 ASP 27 5.191 -2.752 -6.658
226 H LYS 28 H LYS 28 3.137 -0.962 -4.657
227 HA LYS 28 HA LYS 28 0.515 -2.011 -4.674
228 HB2 LYS 28 HB2 LYS 28 1.598 0.549 -6.018
229 HB3 LYS 28 HB3 LYS 28 -0.122 0.200 -5.714
230 HG2 LYS 28 HG2 LYS 28 0.006 0.900 -3.543
231 HG3 LYS 28 HG3 LYS 28 1.323 -0.238 -3.244
232 HD2 LYS 28 HD2 LYS 28 2.386 1.651 -2.617
233 HD3 LYS 28 HD3 LYS 28 2.938 1.580 -4.289
234 HE2 LYS 28 HE2 LYS 28 0.409 3.208 -3.602
235 HE3 LYS 28 HE3 LYS 28 1.994 3.824 -3.088
236 HZ1 LYS 28 HZ1 LYS 28 1.339 4.718 -5.230
237 HZ2 LYS 28 HZ2 LYS 28 1.320 3.117 -5.937
238 HZ3 LYS 28 HZ3 LYS 28 2.824 3.819 -5.335
239 H PHE 29 H PHE 29 2.905 -1.738 -7.394
240 HA PHE 29 HA PHE 29 0.705 -2.621 -9.239
241 HB2 PHE 29 HB2 PHE 29 2.336 -0.383 -9.342
242 HB3 PHE 29 HB3 PHE 29 3.328 -1.503 -10.276
243 HD1 PHE 29 HD1 PHE 29 0.051 0.214 -9.936
244 HD2 PHE 29 HD2 PHE 29 2.381 -2.356 -12.483
245 HE1 PHE 29 HE1 PHE 29 -1.451 0.727 -11.829
246 HE2 PHE 29 HE2 PHE 29 0.853 -1.864 -14.365
247 HZ PHE 29 HZ PHE 29 -1.051 -0.304 -14.051
248 H ASP 30 H ASP 30 1.817 -4.591 -7.484
249 HA ASP 30 HA ASP 30 3.673 -6.084 -9.350
250 HB2 ASP 30 HB2 ASP 30 4.623 -5.053 -7.284
251 HB3 ASP 30 HB3 ASP 30 3.531 -6.065 -6.305
252 HN1 NH2 31 HN1 NH2 31 1.399 -8.900 -7.679
253 HN2 NH2 31 HN2 NH2 31 2.849 -8.324 -6.984
254 H1 AQN 32 H1 AQN 2 3.284 0.472 7.454
255 H5 AQN 32 H5 AQN 2 -1.797 0.676 7.327
256 H6 AQN 32 H6 AQN 2 -3.969 0.429 8.502
257 H7 AQN 32 H7 AQN 2 -4.037 -0.297 10.858
258 H8 AQN 32 H8 AQN 2 -1.936 -0.644 12.109
259 H12 AQN 32 H12 AQN 2 3.107 -0.615 12.286
260 H13 AQN 32 H13 AQN 2 5.283 -0.348 11.164
Start of MODEL 10
1 H1 ACE 0 H1 ACE 0 1.242 17.430 0.930
2 H2 ACE 0 H2 ACE 0 1.918 16.108 1.901
3 H3 ACE 0 H3 ACE 0 0.646 17.139 2.587
4 H LYS 1 H LYS 1 1.195 15.162 -0.375
5 HA LYS 1 HA LYS 1 -1.698 14.501 -0.437
6 HB2 LYS 1 HB2 LYS 1 -0.789 15.041 -2.540
7 HB3 LYS 1 HB3 LYS 1 0.579 13.907 -2.394
8 HG2 LYS 1 HG2 LYS 1 -0.740 11.982 -2.599
9 HG3 LYS 1 HG3 LYS 1 -2.267 12.799 -2.173
10 HD2 LYS 1 HD2 LYS 1 -0.721 13.343 -4.788
11 HD3 LYS 1 HD3 LYS 1 -1.985 12.091 -4.618
12 HE2 LYS 1 HE2 LYS 1 -3.625 13.879 -3.859
13 HE3 LYS 1 HE3 LYS 1 -2.413 15.118 -4.306
14 HZ1 LYS 1 HZ1 LYS 1 -2.412 14.219 -6.600
15 HZ2 LYS 1 HZ2 LYS 1 -3.993 14.772 -6.095
16 HZ3 LYS 1 HZ3 LYS 1 -3.636 13.058 -6.153
17 H PHE 2 H PHE 2 -2.092 13.011 1.324
18 HA PHE 2 HA PHE 2 -0.253 10.646 1.503
19 HB2 PHE 2 HB2 PHE 2 -2.439 11.670 3.395
20 HB3 PHE 2 HB3 PHE 2 -1.548 10.140 3.578
21 HD1 PHE 2 HD1 PHE 2 -1.156 13.861 3.531
22 HD2 PHE 2 HD2 PHE 2 0.757 10.100 4.361
23 HE1 PHE 2 HE1 PHE 2 0.716 15.051 4.619
24 HE2 PHE 2 HE2 PHE 2 2.551 11.290 5.575
25 HZ PHE 2 HZ PHE 2 2.557 13.764 5.679
26 H GLU 3 H GLU 3 -1.328 10.378 -0.827
27 HA GLU 3 HA GLU 3 -4.086 9.384 -0.821
28 HB2 GLU 3 HB2 GLU 3 -3.015 10.425 -2.834
29 HB3 GLU 3 HB3 GLU 3 -1.804 9.119 -2.835
30 HG2 GLU 3 HG2 GLU 3 -4.007 7.527 -3.013
31 HG3 GLU 3 HG3 GLU 3 -4.737 9.025 -3.640
32 H ASP 4 H ASP 4 -3.720 7.827 1.094
33 HA ASP 4 HA ASP 4 -1.761 5.757 0.899
34 HB2 ASP 4 HB2 ASP 4 -4.479 5.762 2.332
35 HB3 ASP 4 HB3 ASP 4 -3.158 4.622 2.667
36 H TRP 5 H TRP 5 -2.321 3.323 0.624
37 HA TRP 5 HA TRP 5 -4.423 2.930 -1.465
38 HB2 TRP 5 HB2 TRP 5 -2.713 1.817 -2.938
39 HB3 TRP 5 HB3 TRP 5 -2.345 3.544 -2.662
40 HD1 TRP 5 HD1 TRP 5 -0.300 4.130 -1.103
41 HE1 TRP 5 HE1 TRP 5 1.774 2.854 -0.408
42 HE3 TRP 5 HE3 TRP 5 -1.856 -0.679 -2.206
43 HZ2 TRP 5 HZ2 TRP 5 2.730 0.268 -0.422
44 HZ3 TRP 5 HZ3 TRP 5 -0.135 -2.504 -2.027
45 HH2 TRP 5 HH2 TRP 5 2.105 -2.026 -1.198
46 H LEU 6 H LEU 6 -4.671 0.501 -1.956
47 HA LEU 6 HA LEU 6 -4.088 -0.949 0.576
48 HB2 LEU 6 HB2 LEU 6 -6.338 -0.108 0.519
49 HB3 LEU 6 HB3 LEU 6 -6.672 -0.847 -1.061
50 HG LEU 6 HG LEU 6 -5.773 -2.698 1.207
51 HD11 LEU 6 HD11 LEU 6 -8.606 -1.528 1.025
52 HD12 LEU 6 HD12 LEU 6 -7.430 -1.262 2.351
53 HD13 LEU 6 HD13 LEU 6 -8.095 -2.891 2.071
54 HD21 LEU 6 HD21 LEU 6 -7.874 -2.959 -1.046
55 HD22 LEU 6 HD22 LEU 6 -7.417 -4.236 0.102
56 HD23 LEU 6 HD23 LEU 6 -6.221 -3.642 -1.086
57 H CYS 7 H CYS 7 -3.365 -3.084 0.477
58 HA CYS 7 HA CYS 7 -2.163 -3.669 -2.102
59 HB2 CYS 7 HB2 CYS 7 -0.966 -3.925 0.075
60 HB3 CYS 7 HB3 CYS 7 -2.117 -5.210 0.554
61 H ASN 8 H ASN 8 -3.435 -4.744 -3.725
62 HA ASN 8 HA ASN 8 -5.759 -6.290 -2.952
63 HB2 ASN 8 HB2 ASN 8 -4.188 -6.033 -5.584
64 HB3 ASN 8 HB3 ASN 8 -5.435 -7.281 -5.363
65 HD21 ASN 8 HD21 ASN 8 -6.456 -6.047 -7.241
66 HD22 ASN 8 HD22 ASN 8 -7.519 -4.759 -6.797
67 H LYS 9 H LYS 9 -2.299 -7.124 -2.913
68 HA LYS 9 HA LYS 9 -2.826 -9.889 -3.414
69 HB2 LYS 9 HB2 LYS 9 -0.438 -8.480 -3.289
70 HB3 LYS 9 HB3 LYS 9 -0.457 -9.203 -1.661
71 HG2 LYS 9 HG2 LYS 9 0.662 -10.819 -3.008
72 HG3 LYS 9 HG3 LYS 9 -1.002 -11.452 -2.890
73 HD2 LYS 9 HD2 LYS 9 -1.337 -10.022 -5.207
74 HD3 LYS 9 HD3 LYS 9 0.443 -10.061 -5.213
75 HE2 LYS 9 HE2 LYS 9 0.299 -12.614 -5.033
76 HE3 LYS 9 HE3 LYS 9 -1.484 -12.479 -5.144
77 HZ1 LYS 9 HZ1 LYS 9 0.425 -11.445 -7.265
78 HZ2 LYS 9 HZ2 LYS 9 -1.322 -11.531 -7.355
79 HZ3 LYS 9 HZ3 LYS 9 -0.371 -12.996 -7.298
80 H CYS 10 H CYS 10 -2.189 -8.132 -0.261
81 HA CYS 10 HA CYS 10 -3.499 -10.481 1.094
82 HB2 CYS 10 HB2 CYS 10 -2.134 -9.960 3.029
83 HB3 CYS 10 HB3 CYS 10 -1.051 -10.052 1.603
84 H CYS 11 H CYS 11 -4.595 -7.569 -0.005
85 HA CYS 11 HA CYS 11 -6.213 -6.174 0.720
86 HB2 CYS 11 HB2 CYS 11 -7.168 -8.569 0.796
87 HB3 CYS 11 HB3 CYS 11 -7.038 -8.460 2.575
88 HG CYS 11 HG CYS 11 -8.709 -6.637 0.726
89 H LEU 12 H LEU 12 -3.695 -5.725 2.283
90 HA LEU 12 HA LEU 12 -4.954 -4.840 4.866
91 HB2 LEU 12 HB2 LEU 12 -2.816 -6.424 4.623
92 HB3 LEU 12 HB3 LEU 12 -1.962 -4.888 4.369
93 HG LEU 12 HG LEU 12 -3.575 -5.828 6.830
94 HD11 LEU 12 HD11 LEU 12 -0.623 -4.944 6.557
95 HD12 LEU 12 HD12 LEU 12 -1.188 -6.635 6.547
96 HD13 LEU 12 HD13 LEU 12 -1.387 -5.649 8.010
97 HD21 LEU 12 HD21 LEU 12 -4.125 -3.475 6.773
98 HD22 LEU 12 HD22 LEU 12 -2.429 -3.035 6.351
99 HD23 LEU 12 HD23 LEU 12 -2.840 -3.665 7.976
100 H ASN 13 H ASN 13 -5.175 -2.469 5.000
101 HA ASN 13 HA ASN 13 -4.582 -0.938 2.760
102 HB2 ASN 13 HB2 ASN 13 -6.163 -0.271 4.621
103 HB3 ASN 13 HB3 ASN 13 -4.719 0.137 5.593
104 HD21 ASN 13 HD21 ASN 13 -5.413 2.479 5.626
105 HD22 ASN 13 HD22 ASN 13 -5.327 3.423 4.181
106 H ASN 14 H ASN 14 -2.883 0.978 2.605
107 HA ASN 14 HA ASN 14 -0.408 0.402 4.201
108 HB2 ASN 14 HB2 ASN 14 -0.422 0.701 1.180
109 HB3 ASN 14 HB3 ASN 14 0.908 0.060 2.189
110 HD21 ASN 14 HD21 ASN 14 0.096 -2.086 3.510
111 HD22 ASN 14 HD22 ASN 14 -0.866 -3.192 2.601
112 H PHE 15 H PHE 15 0.982 2.397 4.343
113 HA PHE 15 HA PHE 15 -0.546 4.782 3.758
114 HB2 PHE 15 HB2 PHE 15 2.364 4.423 4.673
115 HB3 PHE 15 HB3 PHE 15 1.638 6.016 4.420
116 HD1 PHE 15 HD1 PHE 15 -0.733 6.430 5.541
117 HD2 PHE 15 HD2 PHE 15 2.231 3.658 6.967
118 HE1 PHE 15 HE1 PHE 15 -1.783 6.451 7.774
119 HE2 PHE 15 HE2 PHE 15 1.255 3.797 9.234
120 HZ PHE 15 HZ PHE 15 -0.800 5.120 9.625
121 H ARG 16 H ARG 16 0.316 6.663 2.477
122 HA ARG 16 HA ARG 16 0.930 5.864 -0.192
123 HB2 ARG 16 HB2 ARG 16 -0.223 7.998 0.346
124 HB3 ARG 16 HB3 ARG 16 1.190 8.574 1.253
125 HG2 ARG 16 HG2 ARG 16 1.049 9.661 -0.872
126 HG3 ARG 16 HG3 ARG 16 2.560 8.744 -0.781
127 HD2 ARG 16 HD2 ARG 16 2.001 7.305 -2.495
128 HD3 ARG 16 HD3 ARG 16 0.280 7.233 -2.004
129 HE ARG 16 HE ARG 16 0.708 9.800 -3.123
130 HH11 ARG 16 HH12 ARG 16 0.613 6.356 -4.119
131 HH12 ARG 16 HH11 ARG 16 -0.088 6.750 -5.683
132 HH21 ARG 16 HH22 ARG 16 -0.199 10.216 -5.124
133 HH22 ARG 16 HH21 ARG 16 -0.528 8.900 -6.253
134 H LYS 17 H LYS 17 2.962 7.353 2.406
135 HA LYS 17 HA LYS 17 5.359 7.606 0.997
136 HB2 LYS 17 HB2 LYS 17 4.755 6.718 3.877
137 HB3 LYS 17 HB3 LYS 17 6.431 6.955 3.312
138 HG2 LYS 17 HG2 LYS 17 6.173 9.254 2.885
139 HG3 LYS 17 HG3 LYS 17 4.403 9.219 2.906
140 HD2 LYS 17 HD2 LYS 17 4.222 9.427 5.149
141 HD3 LYS 17 HD3 LYS 17 5.537 8.292 5.525
142 HE2 LYS 17 HE2 LYS 17 6.123 11.125 4.494
143 HE3 LYS 17 HE3 LYS 17 5.873 10.761 6.223
144 HZ1 LYS 17 HZ1 LYS 17 8.248 10.718 5.578
145 HZ2 LYS 17 HZ2 LYS 17 7.954 9.351 4.536
146 HZ3 LYS 17 HZ3 LYS 17 7.692 9.213 6.258
147 H ARG 18 H ARG 18 3.943 4.625 2.512
148 HA ARG 18 HA ARG 18 6.249 3.004 1.861
149 HB2 ARG 18 HB2 ARG 18 3.331 2.248 2.442
150 HB3 ARG 18 HB3 ARG 18 4.670 1.108 2.224
151 HG2 ARG 18 HG2 ARG 18 4.543 3.217 4.472
152 HG3 ARG 18 HG3 ARG 18 4.159 1.490 4.566
153 HD2 ARG 18 HD2 ARG 18 6.362 1.573 5.395
154 HD3 ARG 18 HD3 ARG 18 6.596 1.062 3.699
155 HE ARG 18 HE ARG 18 6.786 3.943 3.966
156 HH11 ARG 18 HH12 ARG 18 8.556 0.955 4.958
157 HH12 ARG 18 HH11 ARG 18 10.089 1.812 5.012
158 HH21 ARG 18 HH22 ARG 18 8.798 4.919 4.044
159 HH22 ARG 18 HH21 ARG 18 10.230 3.999 4.510
160 H LEU 19 H LEU 19 6.893 3.086 -0.337
161 HA LEU 19 HA LEU 19 5.036 2.837 -2.497
162 HB2 LEU 19 HB2 LEU 19 8.023 2.381 -2.164
163 HB3 LEU 19 HB3 LEU 19 7.276 1.376 -3.403
164 HG LEU 19 HG LEU 19 6.742 4.385 -3.384
165 HD11 LEU 19 HD11 LEU 19 8.621 4.617 -5.031
166 HD12 LEU 19 HD12 LEU 19 9.129 2.934 -4.674
167 HD13 LEU 19 HD13 LEU 19 9.193 4.188 -3.396
168 HD21 LEU 19 HD21 LEU 19 5.322 2.817 -4.866
169 HD22 LEU 19 HD22 LEU 19 6.833 2.280 -5.659
170 HD23 LEU 19 HD23 LEU 19 6.304 3.985 -5.798
171 H LYS 20 H LYS 20 6.527 0.342 -0.291
172 HA LYS 20 HA LYS 20 4.933 -1.677 -1.827
173 HB2 LYS 20 HB2 LYS 20 7.453 -2.027 -0.098
174 HB3 LYS 20 HB3 LYS 20 6.519 -3.343 -0.859
175 HG2 LYS 20 HG2 LYS 20 6.915 -2.313 -3.117
176 HG3 LYS 20 HG3 LYS 20 7.978 -1.082 -2.373
177 HD2 LYS 20 HD2 LYS 20 9.531 -2.869 -1.597
178 HD3 LYS 20 HD3 LYS 20 8.396 -4.135 -2.162
179 HE2 LYS 20 HE2 LYS 20 8.652 -3.262 -4.531
180 HE3 LYS 20 HE3 LYS 20 9.927 -2.158 -3.933
181 HZ1 LYS 20 HZ1 LYS 20 10.844 -4.212 -4.887
182 HZ2 LYS 20 HZ2 LYS 20 9.907 -5.191 -3.784
183 HZ3 LYS 20 HZ3 LYS 20 11.177 -4.157 -3.167
184 H CYS 21 H CYS 21 4.081 -3.570 -0.611
185 HA CYS 21 HA CYS 21 2.392 -2.499 1.446
186 HB2 CYS 21 HB2 CYS 21 1.724 -4.404 -0.034
187 HB3 CYS 21 HB3 CYS 21 3.013 -5.411 0.698
188 H PHE 22 H PHE 22 2.376 -3.178 3.778
189 HA PHE 22 HA PHE 22 5.125 -3.912 4.750
190 HB2 PHE 22 HB2 PHE 22 4.156 -1.677 5.212
191 HB3 PHE 22 HB3 PHE 22 2.825 -2.429 6.129
192 HD1 PHE 22 HD2 PHE 22 6.627 -2.456 5.954
193 HD2 PHE 22 HD1 PHE 22 3.154 -2.618 8.499
194 HE1 PHE 22 HE2 PHE 22 8.081 -2.555 7.947
195 HE2 PHE 22 HE1 PHE 22 4.617 -2.610 10.484
196 HZ PHE 22 HZ PHE 22 7.082 -2.615 10.218
197 H ARG 23 H ARG 23 3.708 -5.927 3.689
198 HA ARG 23 HA ARG 23 3.522 -7.605 6.050
199 HB2 ARG 23 HB2 ARG 23 1.110 -6.786 5.659
200 HB3 ARG 23 HB3 ARG 23 1.112 -7.723 4.153
201 HG2 ARG 23 HG2 ARG 23 2.091 -9.643 5.839
202 HG3 ARG 23 HG3 ARG 23 1.243 -8.662 7.051
203 HD2 ARG 23 HD2 ARG 23 -0.014 -9.813 4.475
204 HD3 ARG 23 HD3 ARG 23 0.039 -10.759 5.940
205 HE ARG 23 HE ARG 23 -1.851 -8.692 5.234
206 HH11 ARG 23 HH12 ARG 23 -0.237 -10.188 8.105
207 HH12 ARG 23 HH11 ARG 23 -1.618 -9.829 9.130
208 HH21 ARG 23 HH22 ARG 23 -3.546 -8.318 6.641
209 HH22 ARG 23 HH21 ARG 23 -3.431 -8.791 8.338
210 H CYS 24 H CYS 24 2.721 -7.608 2.447
211 HA CYS 24 HA CYS 24 4.477 -10.015 2.205
212 HB2 CYS 24 HB2 CYS 24 3.227 -10.422 0.102
213 HB3 CYS 24 HB3 CYS 24 2.122 -10.289 1.502
214 H GLY 25 H GLY 25 4.968 -6.642 1.849
215 HA2 GLY 25 HA2 GLY 25 6.506 -5.490 0.598
216 HA3 GLY 25 HA3 GLY 25 7.313 -7.063 0.395
217 H ALA 26 H ALA 26 3.996 -6.725 -0.944
218 HA ALA 26 HA ALA 26 5.197 -7.019 -3.623
219 HB1 ALA 26 HB1 ALA 26 2.882 -7.470 -4.330
220 HB2 ALA 26 HB2 ALA 26 3.309 -8.477 -2.914
221 HB3 ALA 26 HB3 ALA 26 2.261 -7.040 -2.710
222 H ASP 27 H ASP 27 5.513 -5.073 -4.905
223 HA ASP 27 HA ASP 27 4.582 -2.594 -3.877
224 HB2 ASP 27 HB2 ASP 27 6.506 -2.989 -5.620
225 HB3 ASP 27 HB3 ASP 27 5.217 -2.902 -6.838
226 H LYS 28 H LYS 28 3.108 -1.062 -5.081
227 HA LYS 28 HA LYS 28 0.480 -2.093 -5.173
228 HB2 LYS 28 HB2 LYS 28 1.751 0.344 -6.558
229 HB3 LYS 28 HB3 LYS 28 -0.009 0.045 -6.497
230 HG2 LYS 28 HG2 LYS 28 -0.205 0.464 -4.222
231 HG3 LYS 28 HG3 LYS 28 1.442 -0.071 -3.841
232 HD2 LYS 28 HD2 LYS 28 1.578 2.151 -3.370
233 HD3 LYS 28 HD3 LYS 28 2.334 2.087 -4.966
234 HE2 LYS 28 HE2 LYS 28 -0.657 2.791 -4.546
235 HE3 LYS 28 HE3 LYS 28 0.644 3.991 -4.375
236 HZ1 LYS 28 HZ1 LYS 28 1.326 3.659 -6.661
237 HZ2 LYS 28 HZ2 LYS 28 -0.353 4.099 -6.556
238 HZ3 LYS 28 HZ3 LYS 28 0.092 2.440 -6.906
239 H PHE 29 H PHE 29 3.015 -1.926 -7.767
240 HA PHE 29 HA PHE 29 0.951 -2.932 -9.702
241 HB2 PHE 29 HB2 PHE 29 2.517 -0.686 -9.807
242 HB3 PHE 29 HB3 PHE 29 3.643 -1.819 -10.559
243 HD1 PHE 29 HD1 PHE 29 0.294 -0.213 -10.659
244 HD2 PHE 29 HD2 PHE 29 2.987 -2.780 -12.824
245 HE1 PHE 29 HE1 PHE 29 -0.993 0.185 -12.728
246 HE2 PHE 29 HE2 PHE 29 1.667 -2.411 -14.884
247 HZ PHE 29 HZ PHE 29 -0.305 -0.907 -14.848
248 H ASP 30 H ASP 30 2.044 -4.837 -7.781
249 HA ASP 30 HA ASP 30 4.146 -6.207 -9.445
250 HB2 ASP 30 HB2 ASP 30 4.748 -5.158 -7.224
251 HB3 ASP 30 HB3 ASP 30 3.792 -6.429 -6.424
252 HN1 NH2 31 HN1 NH2 31 1.159 -8.573 -7.741
253 HN2 NH2 31 HN2 NH2 31 1.570 -7.119 -6.924
254 H1 AQN 32 H1 AQN 2 2.276 1.076 6.821
255 H5 AQN 32 H5 AQN 2 -2.762 1.489 6.729
256 H6 AQN 32 H6 AQN 2 -4.944 1.383 7.918
257 H7 AQN 32 H7 AQN 2 -4.997 1.273 10.394
258 H8 AQN 32 H8 AQN 2 -2.891 1.185 11.677
259 H12 AQN 32 H12 AQN 2 2.165 1.014 11.778
260 H13 AQN 32 H13 AQN 2 4.320 0.913 10.593
Start of MODEL 11
1 H1 ACE 0 H1 ACE 0 1.006 17.039 -0.351
2 H2 ACE 0 H2 ACE 0 2.086 15.696 0.074
3 H3 ACE 0 H3 ACE 0 1.371 16.688 1.361
4 H LYS 1 H LYS 1 0.250 14.835 -1.523
5 HA LYS 1 HA LYS 1 -2.258 14.191 -0.138
6 HB2 LYS 1 HB2 LYS 1 -2.356 14.630 -2.480
7 HB3 LYS 1 HB3 LYS 1 -1.187 13.339 -2.883
8 HG2 LYS 1 HG2 LYS 1 -2.719 11.592 -2.433
9 HG3 LYS 1 HG3 LYS 1 -3.643 12.565 -1.260
10 HD2 LYS 1 HD2 LYS 1 -5.001 12.156 -3.239
11 HD3 LYS 1 HD3 LYS 1 -4.675 13.899 -3.029
12 HE2 LYS 1 HE2 LYS 1 -2.859 13.727 -4.814
13 HE3 LYS 1 HE3 LYS 1 -3.285 12.001 -5.024
14 HZ1 LYS 1 HZ1 LYS 1 -5.579 12.698 -5.644
15 HZ2 LYS 1 HZ2 LYS 1 -4.373 13.420 -6.686
16 HZ3 LYS 1 HZ3 LYS 1 -5.121 14.379 -5.439
17 H PHE 2 H PHE 2 -1.578 12.920 1.736
18 HA PHE 2 HA PHE 2 0.116 10.547 1.196
19 HB2 PHE 2 HB2 PHE 2 -1.174 11.493 3.817
20 HB3 PHE 2 HB3 PHE 2 0.099 10.259 3.622
21 HD1 PHE 2 HD1 PHE 2 2.319 11.011 2.480
22 HD2 PHE 2 HD2 PHE 2 -0.545 13.803 4.077
23 HE1 PHE 2 HE1 PHE 2 4.051 12.776 2.526
24 HE2 PHE 2 HE2 PHE 2 1.188 15.555 4.118
25 HZ PHE 2 HZ PHE 2 3.490 15.053 3.340
26 H GLU 3 H GLU 3 -1.971 10.044 -0.395
27 HA GLU 3 HA GLU 3 -4.256 9.055 1.204
28 HB2 GLU 3 HB2 GLU 3 -4.721 10.413 -0.685
29 HB3 GLU 3 HB3 GLU 3 -3.882 9.323 -1.811
30 HG2 GLU 3 HG2 GLU 3 -5.666 7.821 -1.859
31 HG3 GLU 3 HG3 GLU 3 -5.971 7.951 -0.110
32 H ASP 4 H ASP 4 -3.204 7.262 2.268
33 HA ASP 4 HA ASP 4 -1.706 5.228 1.325
34 HB2 ASP 4 HB2 ASP 4 -3.147 3.733 2.892
35 HB3 ASP 4 HB3 ASP 4 -2.529 5.247 3.604
36 H TRP 5 H TRP 5 -2.229 2.908 0.683
37 HA TRP 5 HA TRP 5 -4.531 2.823 -1.243
38 HB2 TRP 5 HB2 TRP 5 -2.927 1.587 -2.805
39 HB3 TRP 5 HB3 TRP 5 -2.642 3.338 -2.607
40 HD1 TRP 5 HD1 TRP 5 -0.495 4.119 -1.447
41 HE1 TRP 5 HE1 TRP 5 1.728 3.036 -0.866
42 HE3 TRP 5 HE3 TRP 5 -1.869 -0.846 -1.790
43 HZ2 TRP 5 HZ2 TRP 5 2.842 0.531 -0.741
44 HZ3 TRP 5 HZ3 TRP 5 -0.034 -2.557 -1.566
45 HH2 TRP 5 HH2 TRP 5 2.280 -1.862 -1.198
46 H LEU 6 H LEU 6 -5.181 0.625 -1.888
47 HA LEU 6 HA LEU 6 -4.841 -1.108 0.485
48 HB2 LEU 6 HB2 LEU 6 -7.063 -0.220 -0.344
49 HB3 LEU 6 HB3 LEU 6 -6.937 -1.335 -1.719
50 HG LEU 6 HG LEU 6 -6.416 -2.784 0.843
51 HD11 LEU 6 HD11 LEU 6 -8.648 -2.533 1.891
52 HD12 LEU 6 HD12 LEU 6 -9.105 -1.279 0.696
53 HD13 LEU 6 HD13 LEU 6 -7.787 -0.967 1.873
54 HD21 LEU 6 HD21 LEU 6 -8.243 -4.226 0.062
55 HD22 LEU 6 HD22 LEU 6 -7.122 -3.859 -1.288
56 HD23 LEU 6 HD23 LEU 6 -8.712 -3.030 -1.188
57 H CYS 7 H CYS 7 -3.704 -3.114 0.270
58 HA CYS 7 HA CYS 7 -2.170 -3.375 -2.145
59 HB2 CYS 7 HB2 CYS 7 -1.431 -4.048 0.168
60 HB3 CYS 7 HB3 CYS 7 -2.593 -5.415 0.110
61 H ASN 8 H ASN 8 -2.173 -5.273 -3.647
62 HA ASN 8 HA ASN 8 -4.963 -6.338 -3.981
63 HB2 ASN 8 HB2 ASN 8 -3.136 -5.037 -5.811
64 HB3 ASN 8 HB3 ASN 8 -3.261 -6.721 -6.324
65 HD21 ASN 8 HD21 ASN 8 -5.227 -7.179 -7.578
66 HD22 ASN 8 HD22 ASN 8 -6.560 -6.086 -7.626
67 H LYS 9 H LYS 9 -2.813 -7.335 -2.066
68 HA LYS 9 HA LYS 9 -2.835 -10.145 -3.070
69 HB2 LYS 9 HB2 LYS 9 -0.461 -8.479 -2.471
70 HB3 LYS 9 HB3 LYS 9 -0.616 -9.767 -1.248
71 HG2 LYS 9 HG2 LYS 9 0.769 -10.660 -2.955
72 HG3 LYS 9 HG3 LYS 9 -0.811 -11.464 -3.061
73 HD2 LYS 9 HD2 LYS 9 -1.268 -9.489 -4.910
74 HD3 LYS 9 HD3 LYS 9 0.496 -9.338 -4.848
75 HE2 LYS 9 HE2 LYS 9 0.037 -10.786 -6.687
76 HE3 LYS 9 HE3 LYS 9 0.617 -11.871 -5.392
77 HZ1 LYS 9 HZ1 LYS 9 -1.338 -12.753 -6.585
78 HZ2 LYS 9 HZ2 LYS 9 -2.280 -11.356 -6.161
79 HZ3 LYS 9 HZ3 LYS 9 -1.770 -12.479 -4.930
80 H CYS 10 H CYS 10 -2.019 -8.213 -0.073
81 HA CYS 10 HA CYS 10 -3.643 -10.184 1.455
82 HB2 CYS 10 HB2 CYS 10 -2.368 -9.399 3.365
83 HB3 CYS 10 HB3 CYS 10 -1.213 -9.691 2.032
84 H CYS 11 H CYS 11 -4.391 -7.239 -0.075
85 HA CYS 11 HA CYS 11 -6.003 -5.686 0.333
86 HB2 CYS 11 HB2 CYS 11 -7.197 -7.853 2.151
87 HB3 CYS 11 HB3 CYS 11 -8.056 -6.557 1.268
88 HG CYS 11 HG CYS 11 -6.579 -8.945 0.002
89 H LEU 12 H LEU 12 -3.651 -5.343 2.136
90 HA LEU 12 HA LEU 12 -5.018 -4.318 4.568
91 HB2 LEU 12 HB2 LEU 12 -2.818 -5.654 4.686
92 HB3 LEU 12 HB3 LEU 12 -2.046 -4.316 3.852
93 HG LEU 12 HG LEU 12 -3.096 -2.837 5.861
94 HD11 LEU 12 HD11 LEU 12 -4.386 -4.818 6.847
95 HD12 LEU 12 HD12 LEU 12 -3.243 -4.049 7.990
96 HD13 LEU 12 HD13 LEU 12 -2.816 -5.601 7.209
97 HD21 LEU 12 HD21 LEU 12 -0.725 -2.996 5.424
98 HD22 LEU 12 HD22 LEU 12 -0.637 -4.606 6.217
99 HD23 LEU 12 HD23 LEU 12 -1.023 -3.143 7.177
100 H ASN 13 H ASN 13 -5.100 -1.993 4.878
101 HA ASN 13 HA ASN 13 -4.460 -0.297 2.573
102 HB2 ASN 13 HB2 ASN 13 -6.419 0.241 3.747
103 HB3 ASN 13 HB3 ASN 13 -5.619 0.230 5.327
104 HD21 ASN 13 HD21 ASN 13 -4.224 1.961 5.918
105 HD22 ASN 13 HD22 ASN 13 -4.269 3.482 5.123
106 H ASN 14 H ASN 14 -2.312 0.495 2.176
107 HA ASN 14 HA ASN 14 -0.436 0.440 4.510
108 HB2 ASN 14 HB2 ASN 14 0.209 0.203 1.514
109 HB3 ASN 14 HB3 ASN 14 1.378 0.188 2.861
110 HD21 ASN 14 HD21 ASN 14 -1.392 -1.649 1.384
111 HD22 ASN 14 HD22 ASN 14 -1.015 -3.110 2.208
112 H PHE 15 H PHE 15 1.119 2.304 4.604
113 HA PHE 15 HA PHE 15 -0.162 4.685 3.907
114 HB2 PHE 15 HB2 PHE 15 2.787 4.160 4.588
115 HB3 PHE 15 HB3 PHE 15 2.215 5.796 4.195
116 HD1 PHE 15 HD1 PHE 15 0.028 6.633 5.359
117 HD2 PHE 15 HD2 PHE 15 2.676 3.657 6.978
118 HE1 PHE 15 HE1 PHE 15 -0.944 6.989 7.601
119 HE2 PHE 15 HE2 PHE 15 1.755 4.083 9.237
120 HZ PHE 15 HZ PHE 15 -0.102 5.692 9.542
121 H ARG 16 H ARG 16 0.424 6.429 2.433
122 HA ARG 16 HA ARG 16 0.923 5.443 -0.217
123 HB2 ARG 16 HB2 ARG 16 -0.483 7.436 0.103
124 HB3 ARG 16 HB3 ARG 16 0.843 8.262 0.959
125 HG2 ARG 16 HG2 ARG 16 0.619 9.186 -1.260
126 HG3 ARG 16 HG3 ARG 16 2.194 8.379 -1.104
127 HD2 ARG 16 HD2 ARG 16 1.311 7.817 -3.319
128 HD3 ARG 16 HD3 ARG 16 1.268 6.385 -2.330
129 HE ARG 16 HE ARG 16 -1.027 6.299 -2.382
130 HH11 ARG 16 HH12 ARG 16 -0.034 9.581 -3.537
131 HH12 ARG 16 HH11 ARG 16 -1.637 9.887 -4.186
132 HH21 ARG 16 HH22 ARG 16 -3.017 6.822 -3.225
133 HH22 ARG 16 HH21 ARG 16 -3.281 8.374 -4.023
134 H LYS 17 H LYS 17 2.901 7.254 2.248
135 HA LYS 17 HA LYS 17 5.066 7.772 0.636
136 HB2 LYS 17 HB2 LYS 17 6.437 8.004 2.551
137 HB3 LYS 17 HB3 LYS 17 4.801 8.380 3.152
138 HG2 LYS 17 HG2 LYS 17 4.752 5.842 3.896
139 HG3 LYS 17 HG3 LYS 17 6.514 5.851 3.555
140 HD2 LYS 17 HD2 LYS 17 6.646 7.893 5.188
141 HD3 LYS 17 HD3 LYS 17 4.937 7.526 5.570
142 HE2 LYS 17 HE2 LYS 17 5.955 6.286 7.261
143 HE3 LYS 17 HE3 LYS 17 5.955 5.030 5.985
144 HZ1 LYS 17 HZ1 LYS 17 8.207 6.873 6.794
145 HZ2 LYS 17 HZ2 LYS 17 8.287 5.787 5.423
146 HZ3 LYS 17 HZ3 LYS 17 8.117 5.145 7.052
147 H ARG 18 H ARG 18 4.126 4.546 2.039
148 HA ARG 18 HA ARG 18 6.705 3.458 1.263
149 HB2 ARG 18 HB2 ARG 18 4.119 2.064 2.125
150 HB3 ARG 18 HB3 ARG 18 5.630 1.240 1.679
151 HG2 ARG 18 HG2 ARG 18 6.117 3.334 3.753
152 HG3 ARG 18 HG3 ARG 18 4.920 2.128 4.268
153 HD2 ARG 18 HD2 ARG 18 7.174 1.366 4.942
154 HD3 ARG 18 HD3 ARG 18 6.402 0.293 3.726
155 HE ARG 18 HE ARG 18 8.178 2.429 2.660
156 HH11 ARG 18 HH12 ARG 18 8.225 -0.936 3.967
157 HH12 ARG 18 HH11 ARG 18 9.661 -1.328 3.031
158 HH21 ARG 18 HH22 ARG 18 9.995 1.819 1.542
159 HH22 ARG 18 HH21 ARG 18 10.662 0.195 1.724
160 H LEU 19 H LEU 19 7.212 2.733 -0.833
161 HA LEU 19 HA LEU 19 5.092 2.566 -2.834
162 HB2 LEU 19 HB2 LEU 19 8.101 2.009 -2.796
163 HB3 LEU 19 HB3 LEU 19 7.139 1.126 -3.977
164 HG LEU 19 HG LEU 19 6.842 4.160 -3.776
165 HD11 LEU 19 HD11 LEU 19 8.920 2.605 -5.433
166 HD12 LEU 19 HD12 LEU 19 9.261 3.754 -4.097
167 HD13 LEU 19 HD13 LEU 19 8.537 4.349 -5.618
168 HD21 LEU 19 HD21 LEU 19 6.144 3.900 -6.176
169 HD22 LEU 19 HD22 LEU 19 5.124 2.857 -5.155
170 HD23 LEU 19 HD23 LEU 19 6.462 2.144 -6.100
171 H LYS 20 H LYS 20 6.792 0.245 -0.607
172 HA LYS 20 HA LYS 20 5.169 -1.903 -1.888
173 HB2 LYS 20 HB2 LYS 20 7.743 -1.961 -0.251
174 HB3 LYS 20 HB3 LYS 20 6.758 -3.427 -0.506
175 HG2 LYS 20 HG2 LYS 20 6.907 -3.277 -2.918
176 HG3 LYS 20 HG3 LYS 20 7.708 -1.675 -2.838
177 HD2 LYS 20 HD2 LYS 20 9.719 -2.683 -1.825
178 HD3 LYS 20 HD3 LYS 20 8.911 -4.279 -1.695
179 HE2 LYS 20 HE2 LYS 20 8.764 -4.478 -4.139
180 HE3 LYS 20 HE3 LYS 20 9.384 -2.808 -4.364
181 HZ1 LYS 20 HZ1 LYS 20 11.510 -3.462 -3.415
182 HZ2 LYS 20 HZ2 LYS 20 11.095 -4.515 -4.758
183 HZ3 LYS 20 HZ3 LYS 20 10.920 -5.087 -3.107
184 H CYS 21 H CYS 21 4.276 -3.637 -0.568
185 HA CYS 21 HA CYS 21 2.531 -2.357 1.353
186 HB2 CYS 21 HB2 CYS 21 1.822 -4.279 -0.116
187 HB3 CYS 21 HB3 CYS 21 3.011 -5.331 0.727
188 H PHE 22 H PHE 22 2.467 -2.975 3.727
189 HA PHE 22 HA PHE 22 5.144 -3.918 4.714
190 HB2 PHE 22 HB2 PHE 22 4.479 -1.558 5.072
191 HB3 PHE 22 HB3 PHE 22 3.064 -2.077 6.023
192 HD1 PHE 22 HD2 PHE 22 6.833 -2.569 5.825
193 HD2 PHE 22 HD1 PHE 22 3.398 -2.249 8.404
194 HE1 PHE 22 HE2 PHE 22 8.287 -2.803 7.805
195 HE2 PHE 22 HE1 PHE 22 4.874 -2.384 10.373
196 HZ PHE 22 HZ PHE 22 7.316 -2.701 10.086
197 H ARG 23 H ARG 23 3.490 -5.773 3.732
198 HA ARG 23 HA ARG 23 3.235 -7.302 6.161
199 HB2 ARG 23 HB2 ARG 23 0.793 -6.307 5.223
200 HB3 ARG 23 HB3 ARG 23 0.859 -7.844 4.345
201 HG2 ARG 23 HG2 ARG 23 1.590 -8.695 6.895
202 HG3 ARG 23 HG3 ARG 23 0.513 -7.333 7.301
203 HD2 ARG 23 HD2 ARG 23 -0.112 -9.770 5.520
204 HD3 ARG 23 HD3 ARG 23 -0.510 -9.583 7.267
205 HE ARG 23 HE ARG 23 -1.706 -7.429 5.836
206 HH11 ARG 23 HH12 ARG 23 -2.013 -10.991 6.260
207 HH12 ARG 23 HH11 ARG 23 -3.751 -10.943 6.014
208 HH21 ARG 23 HH22 ARG 23 -3.957 -7.490 5.531
209 HH22 ARG 23 HH21 ARG 23 -4.825 -9.020 5.588
210 H CYS 24 H CYS 24 2.440 -7.468 2.580
211 HA CYS 24 HA CYS 24 4.077 -9.973 2.470
212 HB2 CYS 24 HB2 CYS 24 2.827 -10.427 0.393
213 HB3 CYS 24 HB3 CYS 24 1.702 -10.131 1.755
214 H GLY 25 H GLY 25 4.843 -6.707 2.097
215 HA2 GLY 25 HA2 GLY 25 6.534 -5.704 0.921
216 HA3 GLY 25 HA3 GLY 25 7.129 -7.354 0.633
217 H ALA 26 H ALA 26 3.914 -6.792 -0.796
218 HA ALA 26 HA ALA 26 5.294 -7.045 -3.363
219 HB1 ALA 26 HB1 ALA 26 2.289 -7.104 -2.859
220 HB2 ALA 26 HB2 ALA 26 3.256 -7.824 -4.196
221 HB3 ALA 26 HB3 ALA 26 3.373 -8.504 -2.563
222 H ASP 27 H ASP 27 5.446 -5.294 -4.865
223 HA ASP 27 HA ASP 27 4.753 -2.690 -3.936
224 HB2 ASP 27 HB2 ASP 27 6.654 -3.389 -5.591
225 HB3 ASP 27 HB3 ASP 27 5.400 -3.259 -6.853
226 H LYS 28 H LYS 28 3.423 -1.025 -5.063
227 HA LYS 28 HA LYS 28 0.772 -1.612 -5.347
228 HB2 LYS 28 HB2 LYS 28 2.569 0.469 -6.689
229 HB3 LYS 28 HB3 LYS 28 0.923 0.305 -7.321
230 HG2 LYS 28 HG2 LYS 28 1.480 0.697 -4.333
231 HG3 LYS 28 HG3 LYS 28 1.251 2.049 -5.458
232 HD2 LYS 28 HD2 LYS 28 -0.951 0.107 -5.871
233 HD3 LYS 28 HD3 LYS 28 -0.792 0.468 -4.148
234 HE2 LYS 28 HE2 LYS 28 -2.396 1.968 -5.174
235 HE3 LYS 28 HE3 LYS 28 -0.989 2.920 -4.621
236 HZ1 LYS 28 HZ1 LYS 28 -0.241 3.135 -6.935
237 HZ2 LYS 28 HZ2 LYS 28 -1.924 3.533 -6.845
238 HZ3 LYS 28 HZ3 LYS 28 -1.441 1.977 -7.473
239 H PHE 29 H PHE 29 3.187 -1.792 -8.122
240 HA PHE 29 HA PHE 29 0.983 -3.172 -9.624
241 HB2 PHE 29 HB2 PHE 29 2.353 -0.903 -10.342
242 HB3 PHE 29 HB3 PHE 29 3.348 -2.119 -11.157
243 HD1 PHE 29 HD1 PHE 29 2.114 -3.799 -12.720
244 HD2 PHE 29 HD2 PHE 29 0.122 -0.372 -11.044
245 HE1 PHE 29 HE1 PHE 29 0.307 -4.015 -14.400
246 HE2 PHE 29 HE2 PHE 29 -1.657 -0.576 -12.738
247 HZ PHE 29 HZ PHE 29 -1.576 -2.400 -14.417
248 H ASP 30 H ASP 30 1.904 -4.772 -7.824
249 HA ASP 30 HA ASP 30 3.251 -6.796 -9.433
250 HB2 ASP 30 HB2 ASP 30 5.267 -5.593 -8.686
251 HB3 ASP 30 HB3 ASP 30 4.646 -5.559 -7.020
252 HN1 NH2 31 HN1 NH2 31 1.511 -7.316 -5.677
253 HN2 NH2 31 HN2 NH2 31 2.514 -5.938 -5.881
254 H1 AQN 32 H1 AQN 2 2.638 0.955 6.748
255 H5 AQN 32 H5 AQN 2 -2.212 2.379 6.949
256 H6 AQN 32 H6 AQN 2 -4.370 2.508 8.259
257 H7 AQN 32 H7 AQN 2 -4.342 2.167 10.685
258 H8 AQN 32 H8 AQN 2 -2.198 1.835 11.867
259 H12 AQN 32 H12 AQN 2 2.849 1.301 11.683
260 H13 AQN 32 H13 AQN 2 4.923 1.051 10.381
Start of MODEL 12
1 H1 ACE 0 H1 ACE 0 2.328 15.911 -0.951
2 H2 ACE 0 H2 ACE 0 1.115 17.186 -0.722
3 H3 ACE 0 H3 ACE 0 1.879 16.977 -2.310
4 H LYS 1 H LYS 1 0.200 14.930 0.124
5 HA LYS 1 HA LYS 1 -2.099 14.149 -0.534
6 HB2 LYS 1 HB2 LYS 1 -1.870 14.765 -2.875
7 HB3 LYS 1 HB3 LYS 1 -0.648 13.488 -3.157
8 HG2 LYS 1 HG2 LYS 1 -2.265 11.718 -2.786
9 HG3 LYS 1 HG3 LYS 1 -3.450 12.847 -2.064
10 HD2 LYS 1 HD2 LYS 1 -4.228 12.236 -4.257
11 HD3 LYS 1 HD3 LYS 1 -3.771 13.962 -4.267
12 HE2 LYS 1 HE2 LYS 1 -1.573 13.321 -5.389
13 HE3 LYS 1 HE3 LYS 1 -2.106 11.611 -5.379
14 HZ1 LYS 1 HZ1 LYS 1 -2.513 12.671 -7.526
15 HZ2 LYS 1 HZ2 LYS 1 -3.496 13.906 -6.784
16 HZ3 LYS 1 HZ3 LYS 1 -4.028 12.233 -6.781
17 H PHE 2 H PHE 2 -1.533 12.801 1.326
18 HA PHE 2 HA PHE 2 0.260 10.492 0.755
19 HB2 PHE 2 HB2 PHE 2 0.036 9.988 3.217
20 HB3 PHE 2 HB3 PHE 2 0.924 11.454 2.769
21 HD1 PHE 2 HD2 PHE 2 -2.198 10.229 4.419
22 HD2 PHE 2 HD1 PHE 2 0.147 13.667 3.329
23 HE1 PHE 2 HE2 PHE 2 -3.771 11.689 5.626
24 HE2 PHE 2 HE1 PHE 2 -1.379 15.111 4.619
25 HZ PHE 2 HZ PHE 2 -3.373 14.136 5.732
26 H GLU 3 H GLU 3 -1.738 10.079 -0.899
27 HA GLU 3 HA GLU 3 -4.117 9.164 0.509
28 HB2 GLU 3 HB2 GLU 3 -4.027 10.367 -1.781
29 HB3 GLU 3 HB3 GLU 3 -3.620 8.781 -2.474
30 HG2 GLU 3 HG2 GLU 3 -6.032 9.015 -2.603
31 HG3 GLU 3 HG3 GLU 3 -5.777 7.929 -1.205
32 H ASP 4 H ASP 4 -3.262 7.407 1.815
33 HA ASP 4 HA ASP 4 -1.724 5.276 1.093
34 HB2 ASP 4 HB2 ASP 4 -3.246 3.924 2.726
35 HB3 ASP 4 HB3 ASP 4 -2.575 5.465 3.331
36 H TRP 5 H TRP 5 -2.216 2.945 0.521
37 HA TRP 5 HA TRP 5 -4.433 2.783 -1.501
38 HB2 TRP 5 HB2 TRP 5 -2.762 1.529 -2.973
39 HB3 TRP 5 HB3 TRP 5 -2.464 3.273 -2.772
40 HD1 TRP 5 HD1 TRP 5 -0.339 4.037 -1.575
41 HE1 TRP 5 HE1 TRP 5 1.835 2.917 -0.889
42 HE3 TRP 5 HE3 TRP 5 -1.817 -0.914 -1.829
43 HZ2 TRP 5 HZ2 TRP 5 2.891 0.379 -0.689
44 HZ3 TRP 5 HZ3 TRP 5 -0.021 -2.655 -1.519
45 HH2 TRP 5 HH2 TRP 5 2.290 -2.002 -1.097
46 H LEU 6 H LEU 6 -4.969 0.504 -2.142
47 HA LEU 6 HA LEU 6 -4.747 -1.132 0.319
48 HB2 LEU 6 HB2 LEU 6 -6.933 -0.228 -0.396
49 HB3 LEU 6 HB3 LEU 6 -6.882 -1.252 -1.847
50 HG LEU 6 HG LEU 6 -6.352 -2.792 0.711
51 HD11 LEU 6 HD11 LEU 6 -8.687 -2.718 1.545
52 HD12 LEU 6 HD12 LEU 6 -9.087 -1.428 0.366
53 HD13 LEU 6 HD13 LEU 6 -7.902 -1.120 1.678
54 HD21 LEU 6 HD21 LEU 6 -6.831 -3.836 -1.529
55 HD22 LEU 6 HD22 LEU 6 -8.484 -3.144 -1.478
56 HD23 LEU 6 HD23 LEU 6 -7.979 -4.350 -0.253
57 H CYS 7 H CYS 7 -3.550 -3.066 0.242
58 HA CYS 7 HA CYS 7 -2.078 -3.544 -2.146
59 HB2 CYS 7 HB2 CYS 7 -1.337 -4.139 0.197
60 HB3 CYS 7 HB3 CYS 7 -2.566 -5.440 0.223
61 H ASN 8 H ASN 8 -2.170 -5.410 -3.620
62 HA ASN 8 HA ASN 8 -4.968 -6.502 -3.841
63 HB2 ASN 8 HB2 ASN 8 -4.419 -6.902 -6.215
64 HB3 ASN 8 HB3 ASN 8 -4.339 -5.190 -5.765
65 HD21 ASN 8 HD21 ASN 8 -2.223 -4.081 -5.865
66 HD22 ASN 8 HD22 ASN 8 -0.835 -4.876 -6.510
67 H LYS 9 H LYS 9 -2.990 -7.497 -1.903
68 HA LYS 9 HA LYS 9 -2.895 -10.300 -2.903
69 HB2 LYS 9 HB2 LYS 9 -0.563 -8.623 -2.699
70 HB3 LYS 9 HB3 LYS 9 -0.566 -9.581 -1.200
71 HG2 LYS 9 HG2 LYS 9 0.749 -10.739 -2.833
72 HG3 LYS 9 HG3 LYS 9 -0.726 -11.683 -2.518
73 HD2 LYS 9 HD2 LYS 9 -1.258 -11.641 -4.752
74 HD3 LYS 9 HD3 LYS 9 -1.276 -9.858 -4.745
75 HE2 LYS 9 HE2 LYS 9 1.154 -9.763 -5.153
76 HE3 LYS 9 HE3 LYS 9 1.230 -11.556 -5.176
77 HZ1 LYS 9 HZ1 LYS 9 -0.377 -9.816 -7.066
78 HZ2 LYS 9 HZ2 LYS 9 -0.342 -11.566 -7.070
79 HZ3 LYS 9 HZ3 LYS 9 1.105 -10.670 -7.434
80 H CYS 10 H CYS 10 -2.067 -8.267 0.035
81 HA CYS 10 HA CYS 10 -3.678 -10.211 1.629
82 HB2 CYS 10 HB2 CYS 10 -2.296 -9.549 3.502
83 HB3 CYS 10 HB3 CYS 10 -1.217 -9.890 2.124
84 H CYS 11 H CYS 11 -4.381 -7.316 0.090
85 HA CYS 11 HA CYS 11 -5.894 -5.681 0.524
86 HB2 CYS 11 HB2 CYS 11 -7.084 -7.728 2.478
87 HB3 CYS 11 HB3 CYS 11 -7.936 -6.471 1.532
88 HG CYS 11 HG CYS 11 -6.570 -8.990 0.409
89 H LEU 12 H LEU 12 -3.462 -5.458 2.389
90 HA LEU 12 HA LEU 12 -4.805 -4.352 4.790
91 HB2 LEU 12 HB2 LEU 12 -2.481 -5.648 4.628
92 HB3 LEU 12 HB3 LEU 12 -1.838 -4.061 4.179
93 HG LEU 12 HG LEU 12 -2.918 -5.088 6.831
94 HD11 LEU 12 HD11 LEU 12 -0.874 -4.078 7.714
95 HD12 LEU 12 HD12 LEU 12 -0.612 -3.148 6.206
96 HD13 LEU 12 HD13 LEU 12 -0.407 -4.914 6.214
97 HD21 LEU 12 HD21 LEU 12 -4.319 -3.097 6.723
98 HD22 LEU 12 HD22 LEU 12 -2.940 -2.110 6.102
99 HD23 LEU 12 HD23 LEU 12 -2.943 -2.735 7.776
100 H ASN 13 H ASN 13 -5.106 -1.940 4.853
101 HA ASN 13 HA ASN 13 -4.427 -0.548 2.411
102 HB2 ASN 13 HB2 ASN 13 -6.460 -0.180 4.004
103 HB3 ASN 13 HB3 ASN 13 -5.349 0.850 4.935
104 HD21 ASN 13 HD21 ASN 13 -5.531 3.091 4.123
105 HD22 ASN 13 HD22 ASN 13 -6.068 3.436 2.511
106 H ASN 14 H ASN 14 -2.212 0.129 1.998
107 HA ASN 14 HA ASN 14 -0.509 0.426 4.438
108 HB2 ASN 14 HB2 ASN 14 0.333 0.113 1.514
109 HB3 ASN 14 HB3 ASN 14 1.414 0.219 2.924
110 HD21 ASN 14 HD21 ASN 14 -1.061 -1.873 1.309
111 HD22 ASN 14 HD22 ASN 14 -0.722 -3.261 2.271
112 H PHE 15 H PHE 15 1.000 2.327 4.533
113 HA PHE 15 HA PHE 15 -0.400 4.660 3.791
114 HB2 PHE 15 HB2 PHE 15 2.529 4.313 4.619
115 HB3 PHE 15 HB3 PHE 15 1.806 5.906 4.319
116 HD1 PHE 15 HD1 PHE 15 -0.525 6.381 5.494
117 HD2 PHE 15 HD2 PHE 15 2.431 3.609 6.937
118 HE1 PHE 15 HE1 PHE 15 -1.542 6.466 7.740
119 HE2 PHE 15 HE2 PHE 15 1.490 3.810 9.215
120 HZ PHE 15 HZ PHE 15 -0.545 5.168 9.607
121 H ARG 16 H ARG 16 0.328 6.450 2.374
122 HA ARG 16 HA ARG 16 0.901 5.488 -0.267
123 HB2 ARG 16 HB2 ARG 16 -0.354 7.579 0.062
124 HB3 ARG 16 HB3 ARG 16 0.993 8.275 1.000
125 HG2 ARG 16 HG2 ARG 16 0.992 9.279 -1.183
126 HG3 ARG 16 HG3 ARG 16 2.458 8.306 -1.015
127 HD2 ARG 16 HD2 ARG 16 1.438 6.483 -2.363
128 HD3 ARG 16 HD3 ARG 16 -0.069 7.384 -2.571
129 HE ARG 16 HE ARG 16 2.557 7.747 -3.871
130 HH11 ARG 16 HH12 ARG 16 -0.457 9.555 -2.999
131 HH12 ARG 16 HH11 ARG 16 -0.091 10.817 -4.163
132 HH21 ARG 16 HH22 ARG 16 2.884 9.402 -5.325
133 HH22 ARG 16 HH21 ARG 16 1.723 10.723 -5.469
134 H LYS 17 H LYS 17 2.856 7.228 2.236
135 HA LYS 17 HA LYS 17 5.191 7.635 0.750
136 HB2 LYS 17 HB2 LYS 17 4.835 6.788 3.683
137 HB3 LYS 17 HB3 LYS 17 6.389 7.343 3.021
138 HG2 LYS 17 HG2 LYS 17 5.759 9.573 2.901
139 HG3 LYS 17 HG3 LYS 17 4.073 9.217 2.472
140 HD2 LYS 17 HD2 LYS 17 3.568 8.532 4.817
141 HD3 LYS 17 HD3 LYS 17 5.254 8.918 5.293
142 HE2 LYS 17 HE2 LYS 17 4.899 11.299 4.689
143 HE3 LYS 17 HE3 LYS 17 3.265 10.933 4.053
144 HZ1 LYS 17 HZ1 LYS 17 3.175 11.897 6.289
145 HZ2 LYS 17 HZ2 LYS 17 4.121 10.570 6.926
146 HZ3 LYS 17 HZ3 LYS 17 2.522 10.277 6.267
147 H ARG 18 H ARG 18 4.043 4.650 2.463
148 HA ARG 18 HA ARG 18 6.409 3.118 1.838
149 HB2 ARG 18 HB2 ARG 18 3.527 2.273 2.437
150 HB3 ARG 18 HB3 ARG 18 4.890 1.167 2.232
151 HG2 ARG 18 HG2 ARG 18 4.804 3.338 4.425
152 HG3 ARG 18 HG3 ARG 18 4.303 1.644 4.588
153 HD2 ARG 18 HD2 ARG 18 6.517 1.644 5.440
154 HD3 ARG 18 HD3 ARG 18 6.662 0.983 3.785
155 HE ARG 18 HE ARG 18 7.108 3.874 3.921
156 HH11 ARG 18 HH12 ARG 18 8.666 0.745 4.831
157 HH12 ARG 18 HH11 ARG 18 10.273 1.432 4.660
158 HH21 ARG 18 HH22 ARG 18 9.204 4.630 3.723
159 HH22 ARG 18 HH21 ARG 18 10.579 3.579 4.068
160 H LEU 19 H LEU 19 7.060 3.128 -0.347
161 HA LEU 19 HA LEU 19 5.257 2.793 -2.539
162 HB2 LEU 19 HB2 LEU 19 8.241 2.357 -2.108
163 HB3 LEU 19 HB3 LEU 19 7.528 1.319 -3.333
164 HG LEU 19 HG LEU 19 6.939 4.311 -3.437
165 HD11 LEU 19 HD11 LEU 19 8.911 4.578 -4.962
166 HD12 LEU 19 HD12 LEU 19 9.463 2.929 -4.521
167 HD13 LEU 19 HD13 LEU 19 9.383 4.219 -3.278
168 HD21 LEU 19 HD21 LEU 19 7.266 2.155 -5.633
169 HD22 LEU 19 HD22 LEU 19 6.659 3.820 -5.850
170 HD23 LEU 19 HD23 LEU 19 5.689 2.628 -4.940
171 H LYS 20 H LYS 20 6.712 0.401 -0.229
172 HA LYS 20 HA LYS 20 5.294 -1.739 -1.779
173 HB2 LYS 20 HB2 LYS 20 7.743 -1.754 0.053
174 HB3 LYS 20 HB3 LYS 20 6.850 -3.243 -0.345
175 HG2 LYS 20 HG2 LYS 20 7.200 -2.962 -2.733
176 HG3 LYS 20 HG3 LYS 20 7.997 -1.374 -2.501
177 HD2 LYS 20 HD2 LYS 20 9.866 -2.410 -1.290
178 HD3 LYS 20 HD3 LYS 20 9.021 -3.986 -1.220
179 HE2 LYS 20 HE2 LYS 20 9.128 -4.157 -3.730
180 HE3 LYS 20 HE3 LYS 20 10.047 -2.618 -3.779
181 HZ1 LYS 20 HZ1 LYS 20 11.527 -4.568 -3.863
182 HZ2 LYS 20 HZ2 LYS 20 10.877 -5.170 -2.361
183 HZ3 LYS 20 HZ3 LYS 20 11.788 -3.675 -2.379
184 H CYS 21 H CYS 21 4.450 -3.625 -0.486
185 HA CYS 21 HA CYS 21 2.602 -2.511 1.451
186 HB2 CYS 21 HB2 CYS 21 1.979 -4.374 -0.092
187 HB3 CYS 21 HB3 CYS 21 3.223 -5.426 0.654
188 H PHE 22 H PHE 22 2.480 -3.202 3.791
189 HA PHE 22 HA PHE 22 5.163 -4.031 4.861
190 HB2 PHE 22 HB2 PHE 22 4.305 -1.719 5.287
191 HB3 PHE 22 HB3 PHE 22 2.909 -2.397 6.160
192 HD1 PHE 22 HD1 PHE 22 6.709 -2.639 6.082
193 HD2 PHE 22 HD2 PHE 22 3.180 -2.549 8.549
194 HE1 PHE 22 HE1 PHE 22 8.111 -2.811 8.105
195 HE2 PHE 22 HE2 PHE 22 4.598 -2.606 10.565
196 HZ PHE 22 HZ PHE 22 7.063 -2.776 10.354
197 H ARG 23 H ARG 23 3.779 -6.006 3.810
198 HA ARG 23 HA ARG 23 3.319 -7.655 6.135
199 HB2 ARG 23 HB2 ARG 23 1.029 -6.413 4.968
200 HB3 ARG 23 HB3 ARG 23 0.964 -8.091 4.370
201 HG2 ARG 23 HG2 ARG 23 1.111 -8.979 6.670
202 HG3 ARG 23 HG3 ARG 23 1.271 -7.322 7.329
203 HD2 ARG 23 HD2 ARG 23 -0.994 -7.255 7.613
204 HD3 ARG 23 HD3 ARG 23 -1.093 -7.138 5.859
205 HE ARG 23 HE ARG 23 -2.107 -9.119 5.763
206 HH11 ARG 23 HH12 ARG 23 -0.139 -9.105 8.770
207 HH12 ARG 23 HH11 ARG 23 -0.756 -10.681 9.253
208 HH21 ARG 23 HH22 ARG 23 -2.833 -11.111 6.465
209 HH22 ARG 23 HH21 ARG 23 -2.251 -11.790 7.989
210 H CYS 24 H CYS 24 2.587 -7.615 2.536
211 HA CYS 24 HA CYS 24 4.255 -10.105 2.353
212 HB2 CYS 24 HB2 CYS 24 2.983 -10.577 0.297
213 HB3 CYS 24 HB3 CYS 24 1.875 -10.344 1.682
214 H GLY 25 H GLY 25 4.898 -6.811 2.000
215 HA2 GLY 25 HA2 GLY 25 6.476 -5.714 0.771
216 HA3 GLY 25 HA3 GLY 25 7.174 -7.323 0.472
217 H ALA 26 H ALA 26 3.931 -7.138 -0.930
218 HA ALA 26 HA ALA 26 5.252 -7.054 -3.547
219 HB1 ALA 26 HB1 ALA 26 2.267 -7.268 -2.846
220 HB2 ALA 26 HB2 ALA 26 3.008 -7.489 -4.460
221 HB3 ALA 26 HB3 ALA 26 3.381 -8.641 -3.139
222 H ASP 27 H ASP 27 5.110 -5.185 -4.983
223 HA ASP 27 HA ASP 27 4.347 -2.724 -3.608
224 HB2 ASP 27 HB2 ASP 27 6.309 -2.996 -5.253
225 HB3 ASP 27 HB3 ASP 27 5.095 -2.987 -6.561
226 H LYS 28 H LYS 28 2.531 -1.291 -4.301
227 HA LYS 28 HA LYS 28 0.171 -2.643 -5.055
228 HB2 LYS 28 HB2 LYS 28 -0.688 -0.425 -5.873
229 HB3 LYS 28 HB3 LYS 28 -0.095 -0.390 -4.196
230 HG2 LYS 28 HG2 LYS 28 1.698 1.030 -4.673
231 HG3 LYS 28 HG3 LYS 28 1.933 0.357 -6.303
232 HD2 LYS 28 HD2 LYS 28 1.251 2.655 -6.481
233 HD3 LYS 28 HD3 LYS 28 0.023 1.577 -7.204
234 HE2 LYS 28 HE2 LYS 28 -1.468 1.881 -5.264
235 HE3 LYS 28 HE3 LYS 28 -0.187 2.763 -4.367
236 HZ1 LYS 28 HZ1 LYS 28 -1.883 4.244 -5.430
237 HZ2 LYS 28 HZ2 LYS 28 -1.368 3.688 -7.005
238 HZ3 LYS 28 HZ3 LYS 28 -0.256 4.559 -5.972
239 H PHE 29 H PHE 29 2.931 -1.600 -7.155
240 HA PHE 29 HA PHE 29 1.122 -1.759 -9.511
241 HB2 PHE 29 HB2 PHE 29 3.082 0.072 -8.790
242 HB3 PHE 29 HB3 PHE 29 4.018 -1.024 -9.820
243 HD1 PHE 29 HD2 PHE 29 0.744 0.821 -9.531
244 HD2 PHE 29 HD1 PHE 29 3.765 -0.593 -12.245
245 HE1 PHE 29 HE2 PHE 29 -0.272 2.152 -11.349
246 HE2 PHE 29 HE1 PHE 29 2.760 0.759 -14.055
247 HZ PHE 29 HZ PHE 29 0.752 2.148 -13.610
248 H ASP 30 H ASP 30 2.297 -4.235 -7.812
249 HA ASP 30 HA ASP 30 2.742 -5.758 -10.248
250 HB2 ASP 30 HB2 ASP 30 5.010 -6.409 -9.880
251 HB3 ASP 30 HB3 ASP 30 5.049 -4.655 -9.579
252 HN1 NH2 31 HN1 NH2 31 2.509 -8.676 -7.949
253 HN2 NH2 31 HN2 NH2 31 3.502 -8.214 -9.276
254 H1 AQN 32 H1 AQN 2 2.327 1.032 7.027
255 H5 AQN 32 H5 AQN 2 -2.736 1.370 7.246
256 H6 AQN 32 H6 AQN 2 -4.817 1.267 8.561
257 H7 AQN 32 H7 AQN 2 -4.712 1.204 11.044
258 H8 AQN 32 H8 AQN 2 -2.522 1.191 12.188
259 H12 AQN 32 H12 AQN 2 2.519 1.159 11.981
260 H13 AQN 32 H13 AQN 2 4.603 1.071 10.670
Start of MODEL 13
1 H1 ACE 0 H1 ACE 0 0.475 17.271 2.968
2 H2 ACE 0 H2 ACE 0 1.082 15.829 3.806
3 H3 ACE 0 H3 ACE 0 -0.409 16.608 4.370
4 H LYS 1 H LYS 1 0.941 15.345 1.282
5 HA LYS 1 HA LYS 1 -1.744 14.599 0.365
6 HB2 LYS 1 HB2 LYS 1 -0.263 15.345 -1.307
7 HB3 LYS 1 HB3 LYS 1 1.029 14.195 -0.839
8 HG2 LYS 1 HG2 LYS 1 0.047 12.385 -1.854
9 HG3 LYS 1 HG3 LYS 1 -1.617 12.932 -1.504
10 HD2 LYS 1 HD2 LYS 1 -1.388 12.872 -3.833
11 HD3 LYS 1 HD3 LYS 1 -1.504 14.588 -3.373
12 HE2 LYS 1 HE2 LYS 1 1.136 13.113 -4.032
13 HE3 LYS 1 HE3 LYS 1 0.134 13.974 -5.233
14 HZ1 LYS 1 HZ1 LYS 1 1.634 15.229 -2.947
15 HZ2 LYS 1 HZ2 LYS 1 0.419 16.065 -3.912
16 HZ3 LYS 1 HZ3 LYS 1 1.865 15.419 -4.641
17 H PHE 2 H PHE 2 -2.468 13.143 2.084
18 HA PHE 2 HA PHE 2 -0.903 10.622 2.413
19 HB2 PHE 2 HB2 PHE 2 -3.503 11.582 3.745
20 HB3 PHE 2 HB3 PHE 2 -2.583 10.109 4.143
21 HD1 PHE 2 HD1 PHE 2 -0.127 10.373 4.893
22 HD2 PHE 2 HD2 PHE 2 -2.884 13.678 4.788
23 HE1 PHE 2 HE1 PHE 2 1.293 11.615 6.489
24 HE2 PHE 2 HE2 PHE 2 -1.451 14.918 6.369
25 HZ PHE 2 HZ PHE 2 0.631 13.888 7.237
26 H GLU 3 H GLU 3 -1.399 10.313 -0.111
27 HA GLU 3 HA GLU 3 -4.186 9.343 -0.523
28 HB2 GLU 3 HB2 GLU 3 -3.555 8.876 -2.819
29 HB3 GLU 3 HB3 GLU 3 -3.285 10.588 -2.394
30 HG2 GLU 3 HG2 GLU 3 -0.940 10.398 -2.534
31 HG3 GLU 3 HG3 GLU 3 -0.945 8.678 -2.126
32 H ASP 4 H ASP 4 -3.308 7.851 1.521
33 HA ASP 4 HA ASP 4 -1.677 5.683 1.062
34 HB2 ASP 4 HB2 ASP 4 -3.312 4.426 2.681
35 HB3 ASP 4 HB3 ASP 4 -2.579 5.950 3.252
36 H TRP 5 H TRP 5 -2.125 3.352 0.562
37 HA TRP 5 HA TRP 5 -4.375 3.009 -1.390
38 HB2 TRP 5 HB2 TRP 5 -2.748 1.877 -2.946
39 HB3 TRP 5 HB3 TRP 5 -2.378 3.603 -2.683
40 HD1 TRP 5 HD1 TRP 5 -0.233 4.216 -1.340
41 HE1 TRP 5 HE1 TRP 5 1.890 2.962 -0.747
42 HE3 TRP 5 HE3 TRP 5 -1.845 -0.616 -2.220
43 HZ2 TRP 5 HZ2 TRP 5 2.837 0.388 -0.704
44 HZ3 TRP 5 HZ3 TRP 5 -0.121 -2.443 -2.013
45 HH2 TRP 5 HH2 TRP 5 2.162 -1.935 -1.370
46 H LEU 6 H LEU 6 -4.610 0.555 -1.925
47 HA LEU 6 HA LEU 6 -4.091 -0.897 0.637
48 HB2 LEU 6 HB2 LEU 6 -6.319 0.035 0.471
49 HB3 LEU 6 HB3 LEU 6 -6.645 -0.806 -1.067
50 HG LEU 6 HG LEU 6 -5.813 -2.481 1.368
51 HD11 LEU 6 HD11 LEU 6 -8.622 -1.306 0.988
52 HD12 LEU 6 HD12 LEU 6 -7.495 -0.964 2.345
53 HD13 LEU 6 HD13 LEU 6 -8.175 -2.601 2.148
54 HD21 LEU 6 HD21 LEU 6 -7.357 -4.125 0.367
55 HD22 LEU 6 HD22 LEU 6 -6.175 -3.590 -0.862
56 HD23 LEU 6 HD23 LEU 6 -7.851 -2.962 -0.894
57 H CYS 7 H CYS 7 -3.317 -3.034 0.449
58 HA CYS 7 HA CYS 7 -2.155 -3.520 -2.166
59 HB2 CYS 7 HB2 CYS 7 -0.891 -3.846 -0.052
60 HB3 CYS 7 HB3 CYS 7 -2.026 -5.132 0.442
61 H ASN 8 H ASN 8 -3.159 -4.782 -3.789
62 HA ASN 8 HA ASN 8 -5.644 -6.130 -3.078
63 HB2 ASN 8 HB2 ASN 8 -4.384 -5.326 -5.611
64 HB3 ASN 8 HB3 ASN 8 -4.602 -7.083 -5.642
65 HD21 ASN 8 HD21 ASN 8 -6.111 -6.576 -7.479
66 HD22 ASN 8 HD22 ASN 8 -7.707 -6.031 -7.101
67 H LYS 9 H LYS 9 -2.246 -7.089 -3.017
68 HA LYS 9 HA LYS 9 -2.831 -9.839 -3.555
69 HB2 LYS 9 HB2 LYS 9 -0.509 -8.496 -3.700
70 HB3 LYS 9 HB3 LYS 9 -0.380 -8.907 -1.975
71 HG2 LYS 9 HG2 LYS 9 0.823 -10.585 -3.151
72 HG3 LYS 9 HG3 LYS 9 -0.716 -11.377 -2.696
73 HD2 LYS 9 HD2 LYS 9 -1.566 -10.959 -5.067
74 HD3 LYS 9 HD3 LYS 9 -0.041 -10.113 -5.453
75 HE2 LYS 9 HE2 LYS 9 1.232 -12.182 -5.190
76 HE3 LYS 9 HE3 LYS 9 -0.198 -13.047 -4.546
77 HZ1 LYS 9 HZ1 LYS 9 -0.022 -11.858 -7.325
78 HZ2 LYS 9 HZ2 LYS 9 -1.341 -12.802 -6.669
79 HZ3 LYS 9 HZ3 LYS 9 0.219 -13.543 -6.920
80 H CYS 10 H CYS 10 -2.058 -8.088 -0.429
81 HA CYS 10 HA CYS 10 -3.240 -10.450 0.991
82 HB2 CYS 10 HB2 CYS 10 -1.964 -9.761 2.894
83 HB3 CYS 10 HB3 CYS 10 -0.849 -9.711 1.499
84 H CYS 11 H CYS 11 -4.458 -7.529 -0.211
85 HA CYS 11 HA CYS 11 -6.230 -6.277 0.419
86 HB2 CYS 11 HB2 CYS 11 -7.040 -8.725 0.459
87 HB3 CYS 11 HB3 CYS 11 -7.027 -8.592 2.241
88 HG CYS 11 HG CYS 11 -8.669 -6.884 0.261
89 H LEU 12 H LEU 12 -3.872 -5.513 1.900
90 HA LEU 12 HA LEU 12 -5.172 -4.750 4.494
91 HB2 LEU 12 HB2 LEU 12 -3.061 -6.260 4.616
92 HB3 LEU 12 HB3 LEU 12 -2.170 -4.886 3.929
93 HG LEU 12 HG LEU 12 -3.177 -3.499 5.934
94 HD11 LEU 12 HD11 LEU 12 -3.399 -6.318 7.157
95 HD12 LEU 12 HD12 LEU 12 -4.819 -5.308 6.739
96 HD13 LEU 12 HD13 LEU 12 -3.675 -4.790 8.005
97 HD21 LEU 12 HD21 LEU 12 -0.745 -4.086 5.718
98 HD22 LEU 12 HD22 LEU 12 -1.070 -5.596 6.636
99 HD23 LEU 12 HD23 LEU 12 -1.336 -4.021 7.399
100 H ASN 13 H ASN 13 -5.106 -2.447 4.995
101 HA ASN 13 HA ASN 13 -4.720 -0.626 2.881
102 HB2 ASN 13 HB2 ASN 13 -5.934 -0.150 5.077
103 HB3 ASN 13 HB3 ASN 13 -4.330 -0.033 5.854
104 HD21 ASN 13 HD21 ASN 13 -6.409 1.363 3.203
105 HD22 ASN 13 HD22 ASN 13 -5.642 2.910 3.207
106 H ASN 14 H ASN 14 -2.867 1.042 2.648
107 HA ASN 14 HA ASN 14 -0.339 0.283 4.041
108 HB2 ASN 14 HB2 ASN 14 -0.406 0.694 1.024
109 HB3 ASN 14 HB3 ASN 14 0.880 -0.105 1.993
110 HD21 ASN 14 HD21 ASN 14 -0.177 -2.203 3.300
111 HD22 ASN 14 HD22 ASN 14 -1.184 -3.179 2.302
112 H PHE 15 H PHE 15 1.339 2.127 3.693
113 HA PHE 15 HA PHE 15 -0.213 4.649 3.688
114 HB2 PHE 15 HB2 PHE 15 2.677 3.965 4.381
115 HB3 PHE 15 HB3 PHE 15 2.162 5.634 4.111
116 HD1 PHE 15 HD1 PHE 15 0.065 2.976 5.844
117 HD2 PHE 15 HD2 PHE 15 2.466 6.528 6.276
118 HE1 PHE 15 HE1 PHE 15 -0.782 3.284 8.128
119 HE2 PHE 15 HE2 PHE 15 1.647 6.793 8.576
120 HZ PHE 15 HZ PHE 15 0.002 5.186 9.512
121 H ARG 16 H ARG 16 0.572 6.591 2.443
122 HA ARG 16 HA ARG 16 0.918 5.922 -0.313
123 HB2 ARG 16 HB2 ARG 16 -0.131 8.013 0.095
124 HB3 ARG 16 HB3 ARG 16 1.123 8.556 1.227
125 HG2 ARG 16 HG2 ARG 16 1.251 9.771 -0.886
126 HG3 ARG 16 HG3 ARG 16 2.761 8.926 -0.494
127 HD2 ARG 16 HD2 ARG 16 1.087 7.223 -2.228
128 HD3 ARG 16 HD3 ARG 16 1.276 8.788 -2.989
129 HE ARG 16 HE ARG 16 3.282 6.745 -2.666
130 HH11 ARG 16 HH12 ARG 16 2.890 10.340 -2.752
131 HH12 ARG 16 HH11 ARG 16 4.495 10.555 -3.432
132 HH21 ARG 16 HH22 ARG 16 5.315 7.155 -3.512
133 HH22 ARG 16 HH21 ARG 16 5.842 8.807 -3.839
134 H LYS 17 H LYS 17 3.214 7.471 2.043
135 HA LYS 17 HA LYS 17 5.336 7.568 0.226
136 HB2 LYS 17 HB2 LYS 17 6.819 7.852 2.136
137 HB3 LYS 17 HB3 LYS 17 5.283 8.699 2.430
138 HG2 LYS 17 HG2 LYS 17 4.734 6.226 3.627
139 HG3 LYS 17 HG3 LYS 17 6.502 6.300 3.820
140 HD2 LYS 17 HD2 LYS 17 6.042 8.711 4.834
141 HD3 LYS 17 HD3 LYS 17 4.315 8.254 4.753
142 HE2 LYS 17 HE2 LYS 17 4.853 7.693 6.971
143 HE3 LYS 17 HE3 LYS 17 5.041 6.120 6.146
144 HZ1 LYS 17 HZ1 LYS 17 7.225 8.078 6.901
145 HZ2 LYS 17 HZ2 LYS 17 7.508 6.592 6.026
146 HZ3 LYS 17 HZ3 LYS 17 6.889 6.547 7.659
147 H ARG 18 H ARG 18 4.045 4.674 1.948
148 HA ARG 18 HA ARG 18 6.503 3.214 1.521
149 HB2 ARG 18 HB2 ARG 18 3.648 2.283 2.142
150 HB3 ARG 18 HB3 ARG 18 5.044 1.201 1.966
151 HG2 ARG 18 HG2 ARG 18 5.049 3.526 3.968
152 HG3 ARG 18 HG3 ARG 18 4.391 1.920 4.385
153 HD2 ARG 18 HD2 ARG 18 7.282 2.445 3.472
154 HD3 ARG 18 HD3 ARG 18 6.753 2.290 5.154
155 HE ARG 18 HE ARG 18 5.838 -0.032 3.787
156 HH11 ARG 18 HH12 ARG 18 8.947 1.496 4.762
157 HH12 ARG 18 HH11 ARG 18 9.783 -0.050 4.749
158 HH21 ARG 18 HH22 ARG 18 7.000 -1.942 3.761
159 HH22 ARG 18 HH21 ARG 18 8.704 -1.960 4.221
160 H LEU 19 H LEU 19 7.211 2.590 -0.534
161 HA LEU 19 HA LEU 19 5.292 2.718 -2.718
162 HB2 LEU 19 HB2 LEU 19 7.910 3.302 -2.671
163 HB3 LEU 19 HB3 LEU 19 8.095 1.547 -2.881
164 HG LEU 19 HG LEU 19 6.524 1.868 -4.984
165 HD11 LEU 19 HD11 LEU 19 6.587 4.193 -5.981
166 HD12 LEU 19 HD12 LEU 19 7.348 4.821 -4.493
167 HD13 LEU 19 HD13 LEU 19 5.671 4.204 -4.457
168 HD21 LEU 19 HD21 LEU 19 9.307 3.198 -4.952
169 HD22 LEU 19 HD22 LEU 19 8.444 2.604 -6.408
170 HD23 LEU 19 HD23 LEU 19 8.985 1.445 -5.160
171 H LYS 20 H LYS 20 6.788 0.134 -0.612
172 HA LYS 20 HA LYS 20 5.095 -1.821 -2.116
173 HB2 LYS 20 HB2 LYS 20 7.471 -2.326 -0.224
174 HB3 LYS 20 HB3 LYS 20 6.382 -3.571 -0.858
175 HG2 LYS 20 HG2 LYS 20 8.116 -3.832 -2.268
176 HG3 LYS 20 HG3 LYS 20 7.051 -2.805 -3.263
177 HD2 LYS 20 HD2 LYS 20 8.425 -0.812 -2.670
178 HD3 LYS 20 HD3 LYS 20 9.437 -1.794 -1.573
179 HE2 LYS 20 HE2 LYS 20 9.233 -2.110 -4.633
180 HE3 LYS 20 HE3 LYS 20 10.584 -1.402 -3.705
181 HZ1 LYS 20 HZ1 LYS 20 10.735 -3.708 -2.544
182 HZ2 LYS 20 HZ2 LYS 20 11.297 -3.566 -4.181
183 HZ3 LYS 20 HZ3 LYS 20 9.766 -4.301 -3.889
184 H CYS 21 H CYS 21 4.054 -3.560 -0.759
185 HA CYS 21 HA CYS 21 2.351 -2.279 1.121
186 HB2 CYS 21 HB2 CYS 21 1.736 -4.326 -0.177
187 HB3 CYS 21 HB3 CYS 21 3.000 -5.257 0.683
188 H PHE 22 H PHE 22 2.163 -2.676 3.466
189 HA PHE 22 HA PHE 22 4.778 -3.366 4.756
190 HB2 PHE 22 HB2 PHE 22 3.765 -1.071 5.074
191 HB3 PHE 22 HB3 PHE 22 2.339 -1.845 5.814
192 HD1 PHE 22 HD2 PHE 22 6.133 -1.960 6.116
193 HD2 PHE 22 HD1 PHE 22 2.370 -1.803 8.205
194 HE1 PHE 22 HE2 PHE 22 7.327 -1.892 8.268
195 HE2 PHE 22 HE1 PHE 22 3.579 -1.610 10.345
196 HZ PHE 22 HZ PHE 22 6.059 -1.680 10.389
197 H ARG 23 H ARG 23 3.524 -5.507 3.696
198 HA ARG 23 HA ARG 23 3.150 -7.000 6.136
199 HB2 ARG 23 HB2 ARG 23 0.694 -6.324 5.397
200 HB3 ARG 23 HB3 ARG 23 0.911 -7.482 4.088
201 HG2 ARG 23 HG2 ARG 23 1.821 -9.020 6.177
202 HG3 ARG 23 HG3 ARG 23 0.699 -7.963 7.068
203 HD2 ARG 23 HD2 ARG 23 0.047 -9.754 4.625
204 HD3 ARG 23 HD3 ARG 23 -0.139 -10.202 6.356
205 HE ARG 23 HE ARG 23 -1.688 -7.864 5.885
206 HH11 ARG 23 HH12 ARG 23 -1.633 -11.380 5.089
207 HH12 ARG 23 HH11 ARG 23 -3.386 -11.464 5.032
208 HH21 ARG 23 HH22 ARG 23 -3.955 -8.110 5.767
209 HH22 ARG 23 HH21 ARG 23 -4.662 -9.672 5.387
210 H CYS 24 H CYS 24 2.596 -7.304 2.514
211 HA CYS 24 HA CYS 24 4.290 -9.770 2.576
212 HB2 CYS 24 HB2 CYS 24 3.199 -10.275 0.412
213 HB3 CYS 24 HB3 CYS 24 2.003 -10.050 1.722
214 H GLY 25 H GLY 25 4.911 -6.444 2.077
215 HA2 GLY 25 HA2 GLY 25 6.585 -5.408 0.913
216 HA3 GLY 25 HA3 GLY 25 7.342 -7.018 0.824
217 H ALA 26 H ALA 26 4.139 -6.730 -0.744
218 HA ALA 26 HA ALA 26 5.560 -7.064 -3.315
219 HB1 ALA 26 HB1 ALA 26 2.560 -7.235 -2.688
220 HB2 ALA 26 HB2 ALA 26 3.397 -7.735 -4.188
221 HB3 ALA 26 HB3 ALA 26 3.703 -8.619 -2.664
222 H ASP 27 H ASP 27 5.257 -5.478 -5.060
223 HA ASP 27 HA ASP 27 4.631 -2.821 -4.068
224 HB2 ASP 27 HB2 ASP 27 6.426 -3.378 -5.811
225 HB3 ASP 27 HB3 ASP 27 5.091 -3.556 -6.988
226 H LYS 28 H LYS 28 3.019 -1.364 -5.236
227 HA LYS 28 HA LYS 28 0.419 -2.482 -5.173
228 HB2 LYS 28 HB2 LYS 28 1.412 -0.076 -6.824
229 HB3 LYS 28 HB3 LYS 28 -0.284 -0.464 -6.445
230 HG2 LYS 28 HG2 LYS 28 -0.155 0.590 -4.407
231 HG3 LYS 28 HG3 LYS 28 1.169 -0.494 -3.952
232 HD2 LYS 28 HD2 LYS 28 2.251 1.472 -3.624
233 HD3 LYS 28 HD3 LYS 28 2.724 1.206 -5.311
234 HE2 LYS 28 HE2 LYS 28 0.437 2.991 -4.238
235 HE3 LYS 28 HE3 LYS 28 2.013 3.544 -4.862
236 HZ1 LYS 28 HZ1 LYS 28 1.427 2.630 -7.077
237 HZ2 LYS 28 HZ2 LYS 28 0.309 3.858 -6.518
238 HZ3 LYS 28 HZ3 LYS 28 -0.165 2.187 -6.468
239 H PHE 29 H PHE 29 2.880 -2.359 -7.835
240 HA PHE 29 HA PHE 29 0.824 -3.583 -9.634
241 HB2 PHE 29 HB2 PHE 29 2.492 -1.368 -9.984
242 HB3 PHE 29 HB3 PHE 29 3.421 -2.638 -10.789
243 HD1 PHE 29 HD2 PHE 29 2.245 -3.942 -12.696
244 HD2 PHE 29 HD1 PHE 29 0.404 -0.538 -10.806
245 HE1 PHE 29 HE2 PHE 29 0.687 -3.718 -14.599
246 HE2 PHE 29 HE1 PHE 29 -1.098 -0.280 -12.743
247 HZ PHE 29 HZ PHE 29 -0.968 -1.869 -14.644
248 H ASP 30 H ASP 30 2.349 -5.157 -7.455
249 HA ASP 30 HA ASP 30 3.189 -7.271 -9.298
250 HB2 ASP 30 HB2 ASP 30 5.204 -5.643 -9.095
251 HB3 ASP 30 HB3 ASP 30 5.248 -6.055 -7.364
252 HN1 NH2 31 HN1 NH2 31 3.161 -9.412 -6.314
253 HN2 NH2 31 HN2 NH2 31 3.989 -9.271 -7.815
254 H1 AQN 32 H1 AQN 2 2.333 1.365 6.665
255 H5 AQN 32 H5 AQN 2 -1.905 -1.441 6.834
256 H6 AQN 32 H6 AQN 2 -3.754 -2.447 8.111
257 H7 AQN 32 H7 AQN 2 -3.960 -1.997 10.545
258 H8 AQN 32 H8 AQN 2 -2.334 -0.514 11.666
259 H12 AQN 32 H12 AQN 2 1.732 2.465 11.460
260 H13 AQN 32 H13 AQN 2 3.652 3.375 10.221
Start of MODEL 14
1 H1 ACE 0 H1 ACE 0 0.008 11.303 8.276
2 H2 ACE 0 H2 ACE 0 0.320 12.582 7.085
3 H3 ACE 0 H3 ACE 0 1.555 11.344 7.386
4 H LYS 1 H LYS 1 -1.949 11.480 6.569
5 HA LYS 1 HA LYS 1 -1.684 9.012 4.957
6 HB2 LYS 1 HB2 LYS 1 -3.658 9.364 6.404
7 HB3 LYS 1 HB3 LYS 1 -4.079 10.848 5.499
8 HG2 LYS 1 HG2 LYS 1 -4.286 9.466 3.395
9 HG3 LYS 1 HG3 LYS 1 -3.930 7.998 4.324
10 HD2 LYS 1 HD2 LYS 1 -6.083 7.856 5.133
11 HD3 LYS 1 HD3 LYS 1 -6.144 9.585 5.562
12 HE2 LYS 1 HE2 LYS 1 -6.598 10.197 3.187
13 HE3 LYS 1 HE3 LYS 1 -6.569 8.460 2.733
14 HZ1 LYS 1 HZ1 LYS 1 -8.477 8.077 4.244
15 HZ2 LYS 1 HZ2 LYS 1 -8.842 9.304 3.049
16 HZ3 LYS 1 HZ3 LYS 1 -8.478 9.776 4.686
17 H PHE 2 H PHE 2 -0.259 9.755 3.166
18 HA PHE 2 HA PHE 2 -1.277 12.073 1.575
19 HB2 PHE 2 HB2 PHE 2 1.207 10.298 1.239
20 HB3 PHE 2 HB3 PHE 2 0.767 11.687 0.215
21 HD1 PHE 2 HD2 PHE 2 0.435 13.981 1.343
22 HD2 PHE 2 HD1 PHE 2 2.383 10.695 3.329
23 HE1 PHE 2 HE2 PHE 2 1.574 15.567 2.857
24 HE2 PHE 2 HE1 PHE 2 3.551 12.291 4.809
25 HZ PHE 2 HZ PHE 2 3.162 14.729 4.569
26 H GLU 3 H GLU 3 -3.369 10.546 1.373
27 HA GLU 3 HA GLU 3 -4.623 9.168 0.051
28 HB2 GLU 3 HB2 GLU 3 -4.029 10.991 -1.487
29 HB3 GLU 3 HB3 GLU 3 -2.635 10.077 -2.107
30 HG2 GLU 3 HG2 GLU 3 -3.979 8.830 -3.509
31 HG3 GLU 3 HG3 GLU 3 -5.103 8.403 -2.198
32 H ASP 4 H ASP 4 -3.436 7.575 1.581
33 HA ASP 4 HA ASP 4 -1.589 5.682 0.645
34 HB2 ASP 4 HB2 ASP 4 -2.803 4.156 2.314
35 HB3 ASP 4 HB3 ASP 4 -2.341 5.751 2.946
36 H TRP 5 H TRP 5 -2.183 3.201 0.203
37 HA TRP 5 HA TRP 5 -4.467 3.054 -1.732
38 HB2 TRP 5 HB2 TRP 5 -2.913 1.665 -3.212
39 HB3 TRP 5 HB3 TRP 5 -2.539 3.407 -3.120
40 HD1 TRP 5 HD1 TRP 5 -0.457 4.150 -1.770
41 HE1 TRP 5 HE1 TRP 5 1.756 3.007 -1.200
42 HE3 TRP 5 HE3 TRP 5 -1.835 -0.782 -2.451
43 HZ2 TRP 5 HZ2 TRP 5 2.826 0.492 -1.134
44 HZ3 TRP 5 HZ3 TRP 5 -0.004 -2.510 -2.320
45 HH2 TRP 5 HH2 TRP 5 2.274 -1.870 -1.733
46 H LEU 6 H LEU 6 -5.077 0.779 -2.320
47 HA LEU 6 HA LEU 6 -4.834 -0.845 0.141
48 HB2 LEU 6 HB2 LEU 6 -7.101 -0.131 -1.233
49 HB3 LEU 6 HB3 LEU 6 -6.696 -1.637 -2.086
50 HG LEU 6 HG LEU 6 -6.496 -2.656 0.380
51 HD11 LEU 6 HD11 LEU 6 -8.369 -0.252 0.939
52 HD12 LEU 6 HD12 LEU 6 -6.688 -0.309 1.512
53 HD13 LEU 6 HD13 LEU 6 -7.859 -1.518 2.096
54 HD21 LEU 6 HD21 LEU 6 -9.208 -1.858 -0.831
55 HD22 LEU 6 HD22 LEU 6 -8.966 -3.105 0.434
56 HD23 LEU 6 HD23 LEU 6 -8.267 -3.341 -1.192
57 H CYS 7 H CYS 7 -3.621 -2.808 0.103
58 HA CYS 7 HA CYS 7 -2.168 -3.346 -2.357
59 HB2 CYS 7 HB2 CYS 7 -1.068 -3.700 -0.201
60 HB3 CYS 7 HB3 CYS 7 -2.339 -4.857 0.315
61 H ASN 8 H ASN 8 -2.351 -5.306 -3.689
62 HA ASN 8 HA ASN 8 -5.143 -6.406 -3.571
63 HB2 ASN 8 HB2 ASN 8 -4.269 -4.853 -5.467
64 HB3 ASN 8 HB3 ASN 8 -3.311 -6.252 -6.018
65 HD21 ASN 8 HD21 ASN 8 -5.143 -5.182 -7.773
66 HD22 ASN 8 HD22 ASN 8 -6.553 -6.174 -7.888
67 H LYS 9 H LYS 9 -3.247 -7.391 -1.837
68 HA LYS 9 HA LYS 9 -2.873 -10.136 -2.879
69 HB2 LYS 9 HB2 LYS 9 -0.714 -8.386 -2.937
70 HB3 LYS 9 HB3 LYS 9 -0.590 -8.967 -1.275
71 HG2 LYS 9 HG2 LYS 9 0.802 -10.396 -2.320
72 HG3 LYS 9 HG3 LYS 9 -0.666 -11.397 -2.240
73 HD2 LYS 9 HD2 LYS 9 -0.120 -9.709 -4.772
74 HD3 LYS 9 HD3 LYS 9 0.921 -11.114 -4.447
75 HE2 LYS 9 HE2 LYS 9 -1.076 -12.614 -4.359
76 HE3 LYS 9 HE3 LYS 9 -2.113 -11.232 -4.840
77 HZ1 LYS 9 HZ1 LYS 9 -1.488 -12.555 -6.765
78 HZ2 LYS 9 HZ2 LYS 9 0.208 -12.369 -6.416
79 HZ3 LYS 9 HZ3 LYS 9 -0.750 -10.975 -6.879
80 H CYS 10 H CYS 10 -2.174 -8.024 0.075
81 HA CYS 10 HA CYS 10 -3.455 -10.135 1.730
82 HB2 CYS 10 HB2 CYS 10 -2.291 -9.069 3.560
83 HB3 CYS 10 HB3 CYS 10 -1.111 -9.277 2.240
84 H CYS 11 H CYS 11 -4.521 -7.278 0.107
85 HA CYS 11 HA CYS 11 -6.299 -5.949 0.436
86 HB2 CYS 11 HB2 CYS 11 -7.206 -8.374 0.724
87 HB3 CYS 11 HB3 CYS 11 -7.316 -8.005 2.469
88 HG CYS 11 HG CYS 11 -8.762 -6.551 0.165
89 H LEU 12 H LEU 12 -4.018 -5.131 1.980
90 HA LEU 12 HA LEU 12 -5.449 -3.973 4.346
91 HB2 LEU 12 HB2 LEU 12 -3.406 -5.491 4.836
92 HB3 LEU 12 HB3 LEU 12 -2.432 -4.285 3.966
93 HG LEU 12 HG LEU 12 -3.446 -2.537 5.698
94 HD11 LEU 12 HD11 LEU 12 -4.107 -3.378 7.864
95 HD12 LEU 12 HD12 LEU 12 -3.764 -5.066 7.402
96 HD13 LEU 12 HD13 LEU 12 -5.163 -4.204 6.681
97 HD21 LEU 12 HD21 LEU 12 -1.058 -3.176 5.631
98 HD22 LEU 12 HD22 LEU 12 -1.408 -4.566 6.712
99 HD23 LEU 12 HD23 LEU 12 -1.666 -2.902 7.287
100 H ASN 13 H ASN 13 -5.273 -1.651 4.537
101 HA ASN 13 HA ASN 13 -4.453 -0.084 2.278
102 HB2 ASN 13 HB2 ASN 13 -6.031 0.771 3.915
103 HB3 ASN 13 HB3 ASN 13 -4.856 0.570 5.242
104 HD21 ASN 13 HD21 ASN 13 -3.077 2.107 5.480
105 HD22 ASN 13 HD22 ASN 13 -3.099 3.582 4.603
106 H ASN 14 H ASN 14 -2.503 1.341 2.044
107 HA ASN 14 HA ASN 14 -0.399 0.930 4.030
108 HB2 ASN 14 HB2 ASN 14 0.198 0.260 1.087
109 HB3 ASN 14 HB3 ASN 14 1.329 0.183 2.464
110 HD21 ASN 14 HD21 ASN 14 -1.572 -1.370 0.968
111 HD22 ASN 14 HD22 ASN 14 -1.552 -2.776 1.973
112 H PHE 15 H PHE 15 1.310 2.554 3.892
113 HA PHE 15 HA PHE 15 0.164 5.049 3.156
114 HB2 PHE 15 HB2 PHE 15 2.965 4.211 4.001
115 HB3 PHE 15 HB3 PHE 15 2.690 5.840 3.357
116 HD1 PHE 15 HD1 PHE 15 0.339 3.861 5.622
117 HD2 PHE 15 HD2 PHE 15 3.052 7.192 5.250
118 HE1 PHE 15 HE1 PHE 15 -0.255 4.609 7.880
119 HE2 PHE 15 HE2 PHE 15 2.406 7.955 7.495
120 HZ PHE 15 HZ PHE 15 0.781 6.648 8.841
121 H ARG 16 H ARG 16 1.071 6.703 1.585
122 HA ARG 16 HA ARG 16 1.281 5.402 -1.004
123 HB2 ARG 16 HB2 ARG 16 -0.045 7.383 -0.791
124 HB3 ARG 16 HB3 ARG 16 1.363 8.363 -0.265
125 HG2 ARG 16 HG2 ARG 16 2.493 8.062 -2.424
126 HG3 ARG 16 HG3 ARG 16 1.257 6.893 -2.961
127 HD2 ARG 16 HD2 ARG 16 -0.488 8.656 -2.866
128 HD3 ARG 16 HD3 ARG 16 0.690 9.901 -2.454
129 HE ARG 16 HE ARG 16 0.171 8.524 -5.027
130 HH11 ARG 16 HH12 ARG 16 2.742 10.330 -3.230
131 HH12 ARG 16 HH11 ARG 16 3.573 10.730 -4.725
132 HH21 ARG 16 HH22 ARG 16 1.338 9.075 -6.843
133 HH22 ARG 16 HH21 ARG 16 2.811 10.041 -6.714
134 H LYS 17 H LYS 17 3.507 7.634 0.830
135 HA LYS 17 HA LYS 17 5.631 7.535 -0.993
136 HB2 LYS 17 HB2 LYS 17 5.536 7.664 2.076
137 HB3 LYS 17 HB3 LYS 17 7.089 7.331 1.284
138 HG2 LYS 17 HG2 LYS 17 6.847 9.734 1.711
139 HG3 LYS 17 HG3 LYS 17 7.048 9.352 -0.019
140 HD2 LYS 17 HD2 LYS 17 4.564 9.671 -0.370
141 HD3 LYS 17 HD3 LYS 17 4.382 10.058 1.368
142 HE2 LYS 17 HE2 LYS 17 5.906 12.022 1.081
143 HE3 LYS 17 HE3 LYS 17 6.169 11.588 -0.634
144 HZ1 LYS 17 HZ1 LYS 17 4.544 13.371 -0.420
145 HZ2 LYS 17 HZ2 LYS 17 3.531 12.377 0.595
146 HZ3 LYS 17 HZ3 LYS 17 3.787 11.943 -1.084
147 H ARG 18 H ARG 18 4.540 4.945 1.273
148 HA ARG 18 HA ARG 18 6.857 3.297 0.692
149 HB2 ARG 18 HB2 ARG 18 4.036 2.473 1.592
150 HB3 ARG 18 HB3 ARG 18 5.480 1.440 1.544
151 HG2 ARG 18 HG2 ARG 18 5.164 3.968 3.286
152 HG3 ARG 18 HG3 ARG 18 4.923 2.287 3.831
153 HD2 ARG 18 HD2 ARG 18 7.466 3.642 2.836
154 HD3 ARG 18 HD3 ARG 18 7.156 3.190 4.522
155 HE ARG 18 HE ARG 18 6.859 0.759 3.324
156 HH11 ARG 18 HH12 ARG 18 9.556 3.167 3.318
157 HH12 ARG 18 HH11 ARG 18 10.729 1.923 2.918
158 HH21 ARG 18 HH22 ARG 18 8.444 -0.725 2.844
159 HH22 ARG 18 HH21 ARG 18 10.131 -0.227 2.693
160 H LEU 19 H LEU 19 7.323 2.740 -1.484
161 HA LEU 19 HA LEU 19 5.183 2.452 -3.416
162 HB2 LEU 19 HB2 LEU 19 8.078 1.343 -3.417
163 HB3 LEU 19 HB3 LEU 19 6.880 1.018 -4.689
164 HG LEU 19 HG LEU 19 6.627 3.588 -4.988
165 HD11 LEU 19 HD11 LEU 19 8.743 4.857 -4.594
166 HD12 LEU 19 HD12 LEU 19 9.434 3.466 -3.696
167 HD13 LEU 19 HD13 LEU 19 8.009 4.356 -3.047
168 HD21 LEU 19 HD21 LEU 19 7.518 2.054 -6.679
169 HD22 LEU 19 HD22 LEU 19 9.138 2.056 -5.899
170 HD23 LEU 19 HD23 LEU 19 8.481 3.553 -6.643
171 H LYS 20 H LYS 20 6.875 0.255 -1.047
172 HA LYS 20 HA LYS 20 5.222 -1.970 -2.105
173 HB2 LYS 20 HB2 LYS 20 7.707 -1.850 -0.329
174 HB3 LYS 20 HB3 LYS 20 6.675 -3.294 -0.379
175 HG2 LYS 20 HG2 LYS 20 6.931 -3.580 -2.755
176 HG3 LYS 20 HG3 LYS 20 7.823 -2.033 -2.931
177 HD2 LYS 20 HD2 LYS 20 9.708 -2.921 -1.641
178 HD3 LYS 20 HD3 LYS 20 8.807 -4.401 -1.225
179 HE2 LYS 20 HE2 LYS 20 9.469 -5.436 -3.146
180 HE3 LYS 20 HE3 LYS 20 8.807 -4.128 -4.155
181 HZ1 LYS 20 HZ1 LYS 20 11.161 -4.439 -4.561
182 HZ2 LYS 20 HZ2 LYS 20 11.539 -4.131 -2.885
183 HZ3 LYS 20 HZ3 LYS 20 10.859 -2.856 -3.890
184 H CYS 21 H CYS 21 4.186 -3.517 -0.655
185 HA CYS 21 HA CYS 21 2.325 -2.007 0.944
186 HB2 CYS 21 HB2 CYS 21 1.707 -4.120 -0.255
187 HB3 CYS 21 HB3 CYS 21 2.850 -5.030 0.781
188 H PHE 22 H PHE 22 2.115 -2.206 3.357
189 HA PHE 22 HA PHE 22 4.732 -2.829 4.677
190 HB2 PHE 22 HB2 PHE 22 3.810 -0.477 4.742
191 HB3 PHE 22 HB3 PHE 22 2.363 -1.105 5.571
192 HD1 PHE 22 HD2 PHE 22 6.156 -1.222 5.825
193 HD2 PHE 22 HD1 PHE 22 2.425 -0.971 7.969
194 HE1 PHE 22 HE2 PHE 22 7.384 -1.001 7.956
195 HE2 PHE 22 HE1 PHE 22 3.663 -0.613 10.070
196 HZ PHE 22 HZ PHE 22 6.143 -0.661 10.080
197 H ARG 23 H ARG 23 3.215 -4.980 3.809
198 HA ARG 23 HA ARG 23 2.874 -6.210 6.408
199 HB2 ARG 23 HB2 ARG 23 0.454 -5.468 5.627
200 HB3 ARG 23 HB3 ARG 23 0.588 -6.765 4.432
201 HG2 ARG 23 HG2 ARG 23 1.449 -8.108 6.695
202 HG3 ARG 23 HG3 ARG 23 0.352 -6.929 7.455
203 HD2 ARG 23 HD2 ARG 23 -0.355 -8.915 5.193
204 HD3 ARG 23 HD3 ARG 23 -0.522 -9.227 6.956
205 HE ARG 23 HE ARG 23 -2.036 -6.905 6.363
206 HH11 ARG 23 HH12 ARG 23 -2.058 -10.464 5.779
207 HH12 ARG 23 HH11 ARG 23 -3.813 -10.519 5.766
208 HH21 ARG 23 HH22 ARG 23 -4.302 -7.114 6.324
209 HH22 ARG 23 HH21 ARG 23 -5.049 -8.682 6.045
210 H CYS 24 H CYS 24 2.286 -6.852 2.821
211 HA CYS 24 HA CYS 24 3.969 -9.310 3.134
212 HB2 CYS 24 HB2 CYS 24 2.823 -10.086 1.102
213 HB3 CYS 24 HB3 CYS 24 1.641 -9.647 2.370
214 H GLY 25 H GLY 25 4.645 -6.090 2.255
215 HA2 GLY 25 HA2 GLY 25 6.408 -5.285 1.035
216 HA3 GLY 25 HA3 GLY 25 6.973 -6.958 0.872
217 H ALA 26 H ALA 26 3.763 -6.712 -0.507
218 HA ALA 26 HA ALA 26 4.920 -7.178 -3.090
219 HB1 ALA 26 HB1 ALA 26 2.821 -8.242 -2.360
220 HB2 ALA 26 HB2 ALA 26 2.011 -6.647 -2.256
221 HB3 ALA 26 HB3 ALA 26 2.542 -7.279 -3.836
222 H ASP 27 H ASP 27 5.506 -5.538 -4.634
223 HA ASP 27 HA ASP 27 5.063 -2.788 -4.161
224 HB2 ASP 27 HB2 ASP 27 6.761 -3.796 -5.754
225 HB3 ASP 27 HB3 ASP 27 5.419 -4.061 -6.905
226 H LYS 28 H LYS 28 3.633 -1.242 -5.323
227 HA LYS 28 HA LYS 28 0.951 -1.767 -5.469
228 HB2 LYS 28 HB2 LYS 28 2.805 0.051 -7.076
229 HB3 LYS 28 HB3 LYS 28 1.204 -0.205 -7.768
230 HG2 LYS 28 HG2 LYS 28 1.630 0.753 -4.875
231 HG3 LYS 28 HG3 LYS 28 1.391 1.805 -6.285
232 HD2 LYS 28 HD2 LYS 28 -0.789 0.014 -6.558
233 HD3 LYS 28 HD3 LYS 28 -0.600 0.112 -4.801
234 HE2 LYS 28 HE2 LYS 28 -2.216 1.738 -5.520
235 HE3 LYS 28 HE3 LYS 28 -0.774 2.640 -4.960
236 HZ1 LYS 28 HZ1 LYS 28 -0.214 3.149 -7.281
237 HZ2 LYS 28 HZ2 LYS 28 -1.895 3.456 -7.055
238 HZ3 LYS 28 HZ3 LYS 28 -1.399 2.000 -7.866
239 H PHE 29 H PHE 29 3.339 -2.489 -8.150
240 HA PHE 29 HA PHE 29 1.117 -4.065 -9.444
241 HB2 PHE 29 HB2 PHE 29 2.370 -1.793 -10.399
242 HB3 PHE 29 HB3 PHE 29 3.408 -3.028 -11.118
243 HD1 PHE 29 HD1 PHE 29 2.227 -4.896 -12.514
244 HD2 PHE 29 HD2 PHE 29 0.140 -1.386 -11.151
245 HE1 PHE 29 HE1 PHE 29 0.484 -5.249 -14.237
246 HE2 PHE 29 HE2 PHE 29 -1.574 -1.729 -12.889
247 HZ PHE 29 HZ PHE 29 -1.408 -3.658 -14.440
248 H ASP 30 H ASP 30 2.282 -5.421 -7.460
249 HA ASP 30 HA ASP 30 4.863 -6.468 -8.173
250 HB2 ASP 30 HB2 ASP 30 3.681 -6.470 -5.839
251 HB3 ASP 30 HB3 ASP 30 2.874 -7.960 -6.380
252 HN1 NH2 31 HN1 NH2 31 4.125 -9.665 -9.779
253 HN2 NH2 31 HN2 NH2 31 5.261 -8.891 -8.741
254 H1 AQN 32 H1 AQN 2 2.929 1.793 6.212
255 H5 AQN 32 H5 AQN 2 -1.613 -0.287 6.734
256 H6 AQN 32 H6 AQN 2 -3.585 -0.888 8.111
257 H7 AQN 32 H7 AQN 2 -3.824 0.110 10.382
258 H8 AQN 32 H8 AQN 2 -2.088 1.636 11.244
259 H12 AQN 32 H12 AQN 2 2.375 4.013 10.610
260 H13 AQN 32 H13 AQN 2 4.438 4.350 9.307
Start of MODEL 15
1 H1 ACE 0 H1 ACE 0 1.311 16.803 2.223
2 H2 ACE 0 H2 ACE 0 1.783 15.396 3.197
3 H3 ACE 0 H3 ACE 0 0.529 16.499 3.799
4 H LYS 1 H LYS 1 1.220 14.634 0.799
5 HA LYS 1 HA LYS 1 -1.700 14.043 0.564
6 HB2 LYS 1 HB2 LYS 1 -0.511 15.034 -1.353
7 HB3 LYS 1 HB3 LYS 1 0.625 13.647 -1.390
8 HG2 LYS 1 HG2 LYS 1 -1.094 12.089 -2.063
9 HG3 LYS 1 HG3 LYS 1 -2.399 13.202 -1.589
10 HD2 LYS 1 HD2 LYS 1 -2.225 13.045 -3.992
11 HD3 LYS 1 HD3 LYS 1 -1.963 14.717 -3.442
12 HE2 LYS 1 HE2 LYS 1 0.360 12.817 -4.157
13 HE3 LYS 1 HE3 LYS 1 -0.540 13.776 -5.367
14 HZ1 LYS 1 HZ1 LYS 1 0.097 15.842 -3.984
15 HZ2 LYS 1 HZ2 LYS 1 1.324 15.045 -4.936
16 HZ3 LYS 1 HZ3 LYS 1 1.316 14.819 -3.249
17 H PHE 2 H PHE 2 -1.775 12.479 2.361
18 HA PHE 2 HA PHE 2 -0.079 10.025 2.035
19 HB2 PHE 2 HB2 PHE 2 -1.944 10.996 4.279
20 HB3 PHE 2 HB3 PHE 2 -1.191 9.392 4.211
21 HD1 PHE 2 HD2 PHE 2 -0.351 13.069 4.253
22 HD2 PHE 2 HD1 PHE 2 1.096 9.062 4.881
23 HE1 PHE 2 HE2 PHE 2 1.706 13.964 5.271
24 HE2 PHE 2 HE1 PHE 2 3.096 9.965 5.996
25 HZ PHE 2 HZ PHE 2 3.423 12.419 6.179
26 H GLU 3 H GLU 3 -1.428 9.899 -0.160
27 HA GLU 3 HA GLU 3 -4.221 9.040 0.306
28 HB2 GLU 3 HB2 GLU 3 -3.687 10.511 -1.526
29 HB3 GLU 3 HB3 GLU 3 -2.604 9.315 -2.285
30 HG2 GLU 3 HG2 GLU 3 -4.395 7.871 -2.907
31 HG3 GLU 3 HG3 GLU 3 -5.515 8.561 -1.690
32 H ASP 4 H ASP 4 -3.395 7.306 1.804
33 HA ASP 4 HA ASP 4 -1.773 5.198 1.142
34 HB2 ASP 4 HB2 ASP 4 -3.218 3.849 2.767
35 HB3 ASP 4 HB3 ASP 4 -2.805 5.464 3.371
36 H TRP 5 H TRP 5 -2.270 2.858 0.532
37 HA TRP 5 HA TRP 5 -4.608 2.660 -1.321
38 HB2 TRP 5 HB2 TRP 5 -3.054 1.448 -2.954
39 HB3 TRP 5 HB3 TRP 5 -2.822 3.204 -2.799
40 HD1 TRP 5 HD1 TRP 5 -0.593 4.074 -2.030
41 HE1 TRP 5 HE1 TRP 5 1.712 3.088 -1.620
42 HE3 TRP 5 HE3 TRP 5 -1.859 -0.914 -1.664
43 HZ2 TRP 5 HZ2 TRP 5 2.901 0.641 -1.385
44 HZ3 TRP 5 HZ3 TRP 5 0.047 -2.563 -1.507
45 HH2 TRP 5 HH2 TRP 5 2.362 -1.792 -1.538
46 H LEU 6 H LEU 6 -5.190 0.424 -1.918
47 HA LEU 6 HA LEU 6 -4.677 -1.298 0.431
48 HB2 LEU 6 HB2 LEU 6 -7.076 -0.669 -0.564
49 HB3 LEU 6 HB3 LEU 6 -6.670 -1.911 -1.781
50 HG LEU 6 HG LEU 6 -6.050 -3.355 0.419
51 HD11 LEU 6 HD11 LEU 6 -7.374 -2.839 2.399
52 HD12 LEU 6 HD12 LEU 6 -8.197 -1.475 1.569
53 HD13 LEU 6 HD13 LEU 6 -6.457 -1.374 1.948
54 HD21 LEU 6 HD21 LEU 6 -7.825 -4.019 -1.173
55 HD22 LEU 6 HD22 LEU 6 -8.960 -2.820 -0.463
56 HD23 LEU 6 HD23 LEU 6 -8.406 -4.225 0.509
57 H CYS 7 H CYS 7 -3.465 -3.291 0.162
58 HA CYS 7 HA CYS 7 -1.966 -3.420 -2.300
59 HB2 CYS 7 HB2 CYS 7 -1.193 -4.266 0.011
60 HB3 CYS 7 HB3 CYS 7 -2.290 -5.663 -0.203
61 H ASN 8 H ASN 8 -1.989 -5.246 -3.886
62 HA ASN 8 HA ASN 8 -4.778 -6.317 -4.191
63 HB2 ASN 8 HB2 ASN 8 -3.129 -4.850 -5.940
64 HB3 ASN 8 HB3 ASN 8 -2.908 -6.505 -6.524
65 HD21 ASN 8 HD21 ASN 8 -4.659 -3.875 -7.364
66 HD22 ASN 8 HD22 ASN 8 -6.162 -4.620 -7.747
67 H LYS 9 H LYS 9 -2.964 -7.406 -2.210
68 HA LYS 9 HA LYS 9 -2.683 -10.114 -3.354
69 HB2 LYS 9 HB2 LYS 9 -0.510 -8.389 -3.266
70 HB3 LYS 9 HB3 LYS 9 -0.331 -9.198 -1.688
71 HG2 LYS 9 HG2 LYS 9 -0.613 -10.610 -4.415
72 HG3 LYS 9 HG3 LYS 9 0.936 -10.276 -3.609
73 HD2 LYS 9 HD2 LYS 9 0.504 -11.733 -1.772
74 HD3 LYS 9 HD3 LYS 9 -1.220 -11.934 -2.168
75 HE2 LYS 9 HE2 LYS 9 1.087 -12.879 -3.979
76 HE3 LYS 9 HE3 LYS 9 0.246 -13.899 -2.788
77 HZ1 LYS 9 HZ1 LYS 9 -1.223 -14.397 -4.407
78 HZ2 LYS 9 HZ2 LYS 9 -0.598 -13.184 -5.475
79 HZ3 LYS 9 HZ3 LYS 9 -1.846 -12.790 -4.331
80 H CYS 10 H CYS 10 -2.009 -8.209 -0.239
81 HA CYS 10 HA CYS 10 -3.746 -10.259 1.107
82 HB2 CYS 10 HB2 CYS 10 -2.534 -9.808 3.129
83 HB3 CYS 10 HB3 CYS 10 -1.323 -10.106 1.841
84 H CYS 11 H CYS 11 -4.463 -7.409 -0.317
85 HA CYS 11 HA CYS 11 -5.816 -5.645 0.260
86 HB2 CYS 11 HB2 CYS 11 -6.998 -8.211 1.366
87 HB3 CYS 11 HB3 CYS 11 -7.888 -6.692 1.671
88 HG CYS 11 HG CYS 11 -7.078 -7.567 -1.146
89 H LEU 12 H LEU 12 -3.497 -5.329 1.851
90 HA LEU 12 HA LEU 12 -4.709 -4.473 4.462
91 HB2 LEU 12 HB2 LEU 12 -2.749 -6.021 4.490
92 HB3 LEU 12 HB3 LEU 12 -1.774 -4.830 3.606
93 HG LEU 12 HG LEU 12 -1.384 -4.993 6.125
94 HD11 LEU 12 HD11 LEU 12 -1.978 -2.282 4.940
95 HD12 LEU 12 HD12 LEU 12 -0.427 -3.130 5.119
96 HD13 LEU 12 HD13 LEU 12 -1.264 -2.482 6.556
97 HD21 LEU 12 HD21 LEU 12 -3.782 -5.262 6.812
98 HD22 LEU 12 HD22 LEU 12 -4.008 -3.493 6.572
99 HD23 LEU 12 HD23 LEU 12 -2.842 -4.086 7.782
100 H ASN 13 H ASN 13 -4.884 -2.158 4.866
101 HA ASN 13 HA ASN 13 -4.270 -0.524 2.530
102 HB2 ASN 13 HB2 ASN 13 -6.380 -0.423 4.131
103 HB3 ASN 13 HB3 ASN 13 -5.354 0.648 5.111
104 HD21 ASN 13 HD21 ASN 13 -7.825 1.355 3.446
105 HD22 ASN 13 HD22 ASN 13 -7.253 2.535 2.324
106 H ASN 14 H ASN 14 -2.265 0.662 2.358
107 HA ASN 14 HA ASN 14 -0.863 1.247 4.928
108 HB2 ASN 14 HB2 ASN 14 1.297 0.591 3.695
109 HB3 ASN 14 HB3 ASN 14 0.260 -0.729 4.284
110 HD21 ASN 14 HD21 ASN 14 -0.694 -2.184 2.692
111 HD22 ASN 14 HD22 ASN 14 -0.456 -2.007 1.002
112 H PHE 15 H PHE 15 0.793 2.987 4.729
113 HA PHE 15 HA PHE 15 -0.427 5.101 3.424
114 HB2 PHE 15 HB2 PHE 15 2.468 4.833 4.433
115 HB3 PHE 15 HB3 PHE 15 1.865 6.364 3.774
116 HD1 PHE 15 HD1 PHE 15 -0.655 7.012 4.710
117 HD2 PHE 15 HD2 PHE 15 2.482 4.996 6.841
118 HE1 PHE 15 HE1 PHE 15 -1.685 7.669 6.846
119 HE2 PHE 15 HE2 PHE 15 1.401 5.582 8.982
120 HZ PHE 15 HZ PHE 15 -0.679 6.936 8.995
121 H ARG 16 H ARG 16 0.461 6.664 1.796
122 HA ARG 16 HA ARG 16 0.938 5.140 -0.570
123 HB2 ARG 16 HB2 ARG 16 -0.188 7.582 -0.289
124 HB3 ARG 16 HB3 ARG 16 1.484 8.132 -0.587
125 HG2 ARG 16 HG2 ARG 16 1.400 6.540 -2.704
126 HG3 ARG 16 HG3 ARG 16 -0.328 6.352 -2.277
127 HD2 ARG 16 HD2 ARG 16 -0.319 8.989 -2.315
128 HD3 ARG 16 HD3 ARG 16 1.114 8.793 -3.370
129 HE ARG 16 HE ARG 16 -0.863 7.042 -4.404
130 HH11 ARG 16 HH12 ARG 16 -0.503 10.575 -3.927
131 HH12 ARG 16 HH11 ARG 16 -1.660 10.939 -5.204
132 HH21 ARG 16 HH22 ARG 16 -2.317 7.583 -6.002
133 HH22 ARG 16 HH21 ARG 16 -2.661 9.273 -6.373
134 H LYS 17 H LYS 17 2.919 7.372 1.481
135 HA LYS 17 HA LYS 17 5.229 7.544 0.042
136 HB2 LYS 17 HB2 LYS 17 4.947 8.546 2.281
137 HB3 LYS 17 HB3 LYS 17 4.955 6.931 3.053
138 HG2 LYS 17 HG2 LYS 17 7.331 6.559 2.289
139 HG3 LYS 17 HG3 LYS 17 7.293 8.111 1.411
140 HD2 LYS 17 HD2 LYS 17 6.912 9.300 3.685
141 HD3 LYS 17 HD3 LYS 17 6.992 7.696 4.467
142 HE2 LYS 17 HE2 LYS 17 9.158 8.637 4.772
143 HE3 LYS 17 HE3 LYS 17 9.355 7.449 3.448
144 HZ1 LYS 17 HZ1 LYS 17 9.075 10.465 3.191
145 HZ2 LYS 17 HZ2 LYS 17 9.258 9.370 1.823
146 HZ3 LYS 17 HZ3 LYS 17 10.531 9.525 2.985
147 H ARG 18 H ARG 18 4.278 4.676 2.116
148 HA ARG 18 HA ARG 18 6.640 3.205 1.605
149 HB2 ARG 18 HB2 ARG 18 3.731 2.278 1.964
150 HB3 ARG 18 HB3 ARG 18 5.092 1.159 1.759
151 HG2 ARG 18 HG2 ARG 18 5.292 3.244 3.933
152 HG3 ARG 18 HG3 ARG 18 4.228 1.836 4.201
153 HD2 ARG 18 HD2 ARG 18 6.347 1.141 5.147
154 HD3 ARG 18 HD3 ARG 18 6.132 0.276 3.654
155 HE ARG 18 HE ARG 18 7.991 1.252 2.754
156 HH11 ARG 18 HH12 ARG 18 6.992 3.233 5.617
157 HH12 ARG 18 HH11 ARG 18 8.508 4.118 5.597
158 HH21 ARG 18 HH22 ARG 18 9.861 2.461 2.831
159 HH22 ARG 18 HH21 ARG 18 10.087 3.706 4.062
160 H LEU 19 H LEU 19 7.439 2.542 -0.489
161 HA LEU 19 HA LEU 19 5.579 2.682 -2.723
162 HB2 LEU 19 HB2 LEU 19 8.095 3.249 -2.775
163 HB3 LEU 19 HB3 LEU 19 8.396 1.498 -2.700
164 HG LEU 19 HG LEU 19 6.881 1.392 -4.868
165 HD11 LEU 19 HD11 LEU 19 5.929 3.728 -4.756
166 HD12 LEU 19 HD12 LEU 19 6.820 3.442 -6.260
167 HD13 LEU 19 HD13 LEU 19 7.581 4.387 -4.949
168 HD21 LEU 19 HD21 LEU 19 9.742 2.438 -4.640
169 HD22 LEU 19 HD22 LEU 19 8.983 2.390 -6.255
170 HD23 LEU 19 HD23 LEU 19 9.110 0.897 -5.296
171 H LYS 20 H LYS 20 6.895 0.066 -0.541
172 HA LYS 20 HA LYS 20 5.172 -1.823 -2.098
173 HB2 LYS 20 HB2 LYS 20 7.562 -2.454 -0.271
174 HB3 LYS 20 HB3 LYS 20 6.418 -3.654 -0.911
175 HG2 LYS 20 HG2 LYS 20 8.114 -3.878 -2.450
176 HG3 LYS 20 HG3 LYS 20 7.028 -2.749 -3.299
177 HD2 LYS 20 HD2 LYS 20 8.523 -0.842 -2.423
178 HD3 LYS 20 HD3 LYS 20 9.601 -2.091 -1.733
179 HE2 LYS 20 HE2 LYS 20 9.813 -3.066 -4.106
180 HE3 LYS 20 HE3 LYS 20 8.886 -1.659 -4.694
181 HZ1 LYS 20 HZ1 LYS 20 11.711 -1.874 -3.949
182 HZ2 LYS 20 HZ2 LYS 20 10.948 -0.525 -3.171
183 HZ3 LYS 20 HZ3 LYS 20 10.918 -0.648 -4.897
184 H CYS 21 H CYS 21 4.031 -3.574 -0.739
185 HA CYS 21 HA CYS 21 2.406 -2.150 1.093
186 HB2 CYS 21 HB2 CYS 21 1.654 -4.221 -0.068
187 HB3 CYS 21 HB3 CYS 21 2.863 -5.194 0.832
188 H PHE 22 H PHE 22 2.310 -2.358 3.498
189 HA PHE 22 HA PHE 22 4.953 -3.157 4.699
190 HB2 PHE 22 HB2 PHE 22 4.100 -0.800 4.974
191 HB3 PHE 22 HB3 PHE 22 2.677 -1.449 5.828
192 HD1 PHE 22 HD1 PHE 22 6.475 -1.754 5.880
193 HD2 PHE 22 HD2 PHE 22 2.869 -1.422 8.219
194 HE1 PHE 22 HE1 PHE 22 7.809 -1.761 7.956
195 HE2 PHE 22 HE2 PHE 22 4.223 -1.307 10.274
196 HZ PHE 22 HZ PHE 22 6.692 -1.504 10.158
197 H ARG 23 H ARG 23 3.535 -5.303 3.783
198 HA ARG 23 HA ARG 23 3.187 -6.598 6.323
199 HB2 ARG 23 HB2 ARG 23 0.773 -5.683 5.289
200 HB3 ARG 23 HB3 ARG 23 0.850 -7.282 4.516
201 HG2 ARG 23 HG2 ARG 23 1.484 -8.130 6.974
202 HG3 ARG 23 HG3 ARG 23 0.759 -6.575 7.483
203 HD2 ARG 23 HD2 ARG 23 -1.075 -8.184 7.581
204 HD3 ARG 23 HD3 ARG 23 -1.317 -7.301 6.084
205 HE ARG 23 HE ARG 23 -0.888 -9.129 4.809
206 HH11 ARG 23 HH12 ARG 23 0.308 -9.855 8.144
207 HH12 ARG 23 HH11 ARG 23 0.625 -11.528 7.710
208 HH21 ARG 23 HH22 ARG 23 -0.419 -11.260 4.388
209 HH22 ARG 23 HH21 ARG 23 0.227 -12.305 5.654
210 H CYS 24 H CYS 24 2.448 -7.208 2.723
211 HA CYS 24 HA CYS 24 4.178 -9.628 3.031
212 HB2 CYS 24 HB2 CYS 24 3.012 -10.611 1.179
213 HB3 CYS 24 HB3 CYS 24 1.778 -9.957 2.299
214 H GLY 25 H GLY 25 4.821 -6.464 2.235
215 HA2 GLY 25 HA2 GLY 25 6.492 -5.558 0.978
216 HA3 GLY 25 HA3 GLY 25 7.157 -7.207 0.913
217 H ALA 26 H ALA 26 3.946 -6.791 -0.640
218 HA ALA 26 HA ALA 26 5.392 -7.039 -3.247
219 HB1 ALA 26 HB1 ALA 26 2.430 -7.487 -2.591
220 HB2 ALA 26 HB2 ALA 26 3.247 -7.769 -4.161
221 HB3 ALA 26 HB3 ALA 26 3.689 -8.761 -2.731
222 H ASP 27 H ASP 27 5.178 -5.317 -4.806
223 HA ASP 27 HA ASP 27 4.172 -2.834 -3.795
224 HB2 ASP 27 HB2 ASP 27 6.002 -3.200 -5.609
225 HB3 ASP 27 HB3 ASP 27 4.657 -3.396 -6.755
226 H LYS 28 H LYS 28 2.284 -1.566 -4.505
227 HA LYS 28 HA LYS 28 -0.090 -3.033 -4.865
228 HB2 LYS 28 HB2 LYS 28 -1.091 -0.942 -5.834
229 HB3 LYS 28 HB3 LYS 28 -0.283 -0.665 -4.273
230 HG2 LYS 28 HG2 LYS 28 1.515 0.567 -5.239
231 HG3 LYS 28 HG3 LYS 28 1.320 -0.217 -6.811
232 HD2 LYS 28 HD2 LYS 28 0.712 2.042 -7.065
233 HD3 LYS 28 HD3 LYS 28 -0.763 1.072 -7.272
234 HE2 LYS 28 HE2 LYS 28 -1.701 1.855 -5.213
235 HE3 LYS 28 HE3 LYS 28 -0.102 2.235 -4.510
236 HZ1 LYS 28 HZ1 LYS 28 -1.357 4.257 -5.158
237 HZ2 LYS 28 HZ2 LYS 28 -1.287 3.753 -6.837
238 HZ3 LYS 28 HZ3 LYS 28 0.178 4.122 -5.957
239 H PHE 29 H PHE 29 2.446 -2.172 -7.332
240 HA PHE 29 HA PHE 29 0.525 -3.082 -9.449
241 HB2 PHE 29 HB2 PHE 29 1.822 -0.609 -9.115
242 HB3 PHE 29 HB3 PHE 29 2.897 -1.431 -10.241
243 HD1 PHE 29 HD1 PHE 29 1.391 -2.833 -12.153
244 HD2 PHE 29 HD2 PHE 29 0.137 0.718 -10.059
245 HE1 PHE 29 HE1 PHE 29 -0.160 -2.287 -13.991
246 HE2 PHE 29 HE2 PHE 29 -1.380 1.268 -11.914
247 HZ PHE 29 HZ PHE 29 -1.539 -0.226 -13.887
248 H ASP 30 H ASP 30 2.139 -4.899 -7.736
249 HA ASP 30 HA ASP 30 4.333 -5.680 -9.602
250 HB2 ASP 30 HB2 ASP 30 3.980 -5.945 -6.720
251 HB3 ASP 30 HB3 ASP 30 4.057 -7.567 -7.438
252 HN1 NH2 31 HN1 NH2 31 1.064 -8.238 -9.438
253 HN2 NH2 31 HN2 NH2 31 1.206 -7.046 -8.207
254 H1 AQN 32 H1 AQN 2 2.252 2.404 6.720
255 H5 AQN 32 H5 AQN 2 -2.800 2.473 6.770
256 H6 AQN 32 H6 AQN 2 -4.916 2.269 8.033
257 H7 AQN 32 H7 AQN 2 -4.884 2.201 10.512
258 H8 AQN 32 H8 AQN 2 -2.737 2.312 11.728
259 H12 AQN 32 H12 AQN 2 2.336 2.645 11.661
260 H13 AQN 32 H13 AQN 2 4.443 2.765 10.389
Start of MODEL 16
1 H1 ACE 0 H1 ACE 0 1.495 16.861 -0.187
2 H2 ACE 0 H2 ACE 0 2.524 15.422 -0.048
3 H3 ACE 0 H3 ACE 0 2.005 16.274 1.420
4 H LYS 1 H LYS 1 0.481 14.871 -1.538
5 HA LYS 1 HA LYS 1 -1.923 14.217 -0.012
6 HB2 LYS 1 HB2 LYS 1 -2.151 14.810 -2.347
7 HB3 LYS 1 HB3 LYS 1 -1.111 13.465 -2.880
8 HG2 LYS 1 HG2 LYS 1 -2.764 11.849 -2.570
9 HG3 LYS 1 HG3 LYS 1 -3.359 12.595 -1.065
10 HD2 LYS 1 HD2 LYS 1 -5.159 12.738 -2.580
11 HD3 LYS 1 HD3 LYS 1 -4.504 14.393 -2.437
12 HE2 LYS 1 HE2 LYS 1 -3.182 13.873 -4.643
13 HE3 LYS 1 HE3 LYS 1 -4.136 12.364 -4.724
14 HZ1 LYS 1 HZ1 LYS 1 -5.451 13.792 -5.989
15 HZ2 LYS 1 HZ2 LYS 1 -5.032 15.201 -5.052
16 HZ3 LYS 1 HZ3 LYS 1 -6.188 14.060 -4.434
17 H PHE 2 H PHE 2 -1.083 12.764 1.721
18 HA PHE 2 HA PHE 2 0.336 10.392 0.775
19 HB2 PHE 2 HB2 PHE 2 -0.602 11.129 3.585
20 HB3 PHE 2 HB3 PHE 2 0.320 9.666 3.157
21 HD1 PHE 2 HD1 PHE 2 2.574 9.914 1.951
22 HD2 PHE 2 HD2 PHE 2 0.625 13.227 3.887
23 HE1 PHE 2 HE1 PHE 2 4.718 11.137 2.025
24 HE2 PHE 2 HE2 PHE 2 2.785 14.418 4.006
25 HZ PHE 2 HZ PHE 2 4.839 13.374 3.087
26 H GLU 3 H GLU 3 -1.682 9.930 -0.758
27 HA GLU 3 HA GLU 3 -4.079 9.004 0.653
28 HB2 GLU 3 HB2 GLU 3 -4.200 10.107 -1.574
29 HB3 GLU 3 HB3 GLU 3 -3.322 8.731 -2.294
30 HG2 GLU 3 HG2 GLU 3 -5.275 7.250 -1.225
31 HG3 GLU 3 HG3 GLU 3 -6.130 8.801 -1.039
32 H ASP 4 H ASP 4 -3.280 7.211 1.991
33 HA ASP 4 HA ASP 4 -1.742 5.066 1.272
34 HB2 ASP 4 HB2 ASP 4 -3.419 3.680 2.757
35 HB3 ASP 4 HB3 ASP 4 -2.682 5.135 3.485
36 H TRP 5 H TRP 5 -2.249 2.762 0.590
37 HA TRP 5 HA TRP 5 -4.466 2.682 -1.428
38 HB2 TRP 5 HB2 TRP 5 -2.828 1.382 -2.892
39 HB3 TRP 5 HB3 TRP 5 -2.536 3.133 -2.734
40 HD1 TRP 5 HD1 TRP 5 -0.336 3.934 -1.738
41 HE1 TRP 5 HE1 TRP 5 1.853 2.848 -1.074
42 HE3 TRP 5 HE3 TRP 5 -1.843 -1.004 -1.596
43 HZ2 TRP 5 HZ2 TRP 5 2.908 0.305 -0.738
44 HZ3 TRP 5 HZ3 TRP 5 -0.066 -2.741 -1.174
45 HH2 TRP 5 HH2 TRP 5 2.268 -2.085 -0.934
46 H LEU 6 H LEU 6 -5.178 0.486 -2.035
47 HA LEU 6 HA LEU 6 -4.938 -1.234 0.350
48 HB2 LEU 6 HB2 LEU 6 -7.149 -0.712 -1.375
49 HB3 LEU 6 HB3 LEU 6 -6.586 -2.329 -1.865
50 HG LEU 6 HG LEU 6 -6.622 -2.930 0.701
51 HD11 LEU 6 HD11 LEU 6 -8.190 -1.568 2.082
52 HD12 LEU 6 HD12 LEU 6 -8.493 -0.450 0.711
53 HD13 LEU 6 HD13 LEU 6 -6.870 -0.528 1.468
54 HD21 LEU 6 HD21 LEU 6 -9.223 -2.391 -0.839
55 HD22 LEU 6 HD22 LEU 6 -9.075 -3.418 0.627
56 HD23 LEU 6 HD23 LEU 6 -8.218 -3.885 -0.874
57 H CYS 7 H CYS 7 -3.916 -3.353 0.234
58 HA CYS 7 HA CYS 7 -2.039 -3.600 -1.991
59 HB2 CYS 7 HB2 CYS 7 -1.706 -4.357 0.491
60 HB3 CYS 7 HB3 CYS 7 -2.755 -5.745 0.078
61 H ASN 8 H ASN 8 -1.998 -5.557 -3.474
62 HA ASN 8 HA ASN 8 -4.800 -6.538 -3.959
63 HB2 ASN 8 HB2 ASN 8 -2.996 -5.224 -5.706
64 HB3 ASN 8 HB3 ASN 8 -2.878 -6.924 -6.194
65 HD21 ASN 8 HD21 ASN 8 -5.406 -7.980 -6.041
66 HD22 ASN 8 HD22 ASN 8 -6.536 -7.011 -6.920
67 H LYS 9 H LYS 9 -3.067 -7.530 -1.853
68 HA LYS 9 HA LYS 9 -2.887 -10.322 -2.799
69 HB2 LYS 9 HB2 LYS 9 -0.645 -8.541 -2.393
70 HB3 LYS 9 HB3 LYS 9 -0.607 -9.670 -1.030
71 HG2 LYS 9 HG2 LYS 9 -0.738 -10.681 -3.943
72 HG3 LYS 9 HG3 LYS 9 0.774 -10.179 -3.157
73 HD2 LYS 9 HD2 LYS 9 0.793 -12.485 -2.853
74 HD3 LYS 9 HD3 LYS 9 0.338 -11.824 -1.263
75 HE2 LYS 9 HE2 LYS 9 -2.145 -12.355 -1.998
76 HE3 LYS 9 HE3 LYS 9 -1.394 -13.263 -3.347
77 HZ1 LYS 9 HZ1 LYS 9 -0.133 -14.545 -1.564
78 HZ2 LYS 9 HZ2 LYS 9 -1.878 -14.738 -1.510
79 HZ3 LYS 9 HZ3 LYS 9 -1.089 -13.686 -0.368
80 H CYS 10 H CYS 10 -2.120 -8.238 0.138
81 HA CYS 10 HA CYS 10 -3.859 -10.088 1.716
82 HB2 CYS 10 HB2 CYS 10 -2.496 -9.468 3.610
83 HB3 CYS 10 HB3 CYS 10 -1.382 -9.819 2.268
84 H CYS 11 H CYS 11 -4.576 -7.399 0.014
85 HA CYS 11 HA CYS 11 -5.965 -5.612 0.331
86 HB2 CYS 11 HB2 CYS 11 -7.281 -7.574 2.290
87 HB3 CYS 11 HB3 CYS 11 -8.075 -6.296 1.312
88 HG CYS 11 HG CYS 11 -6.754 -8.861 0.234
89 H LEU 12 H LEU 12 -3.649 -5.221 2.117
90 HA LEU 12 HA LEU 12 -4.976 -4.098 4.534
91 HB2 LEU 12 HB2 LEU 12 -3.100 -5.569 4.825
92 HB3 LEU 12 HB3 LEU 12 -2.031 -4.577 3.802
93 HG LEU 12 HG LEU 12 -3.344 -3.458 6.335
94 HD11 LEU 12 HD11 LEU 12 -2.121 -5.391 7.105
95 HD12 LEU 12 HD12 LEU 12 -1.042 -4.017 7.422
96 HD13 LEU 12 HD13 LEU 12 -0.731 -5.042 6.008
97 HD21 LEU 12 HD21 LEU 12 -1.893 -2.097 4.347
98 HD22 LEU 12 HD22 LEU 12 -0.601 -2.569 5.449
99 HD23 LEU 12 HD23 LEU 12 -1.993 -1.613 6.053
100 H ASN 13 H ASN 13 -4.763 -1.795 5.027
101 HA ASN 13 HA ASN 13 -4.631 -0.109 2.599
102 HB2 ASN 13 HB2 ASN 13 -6.446 0.121 4.277
103 HB3 ASN 13 HB3 ASN 13 -5.263 0.538 5.537
104 HD21 ASN 13 HD21 ASN 13 -6.641 1.664 2.361
105 HD22 ASN 13 HD22 ASN 13 -6.262 3.316 2.624
106 H ASN 14 H ASN 14 -2.280 -0.127 2.086
107 HA ASN 14 HA ASN 14 -0.431 0.395 4.327
108 HB2 ASN 14 HB2 ASN 14 0.148 0.091 1.335
109 HB3 ASN 14 HB3 ASN 14 1.379 0.287 2.608
110 HD21 ASN 14 HD21 ASN 14 -1.121 -2.005 1.305
111 HD22 ASN 14 HD22 ASN 14 -0.607 -3.307 2.303
112 H PHE 15 H PHE 15 1.093 2.268 4.294
113 HA PHE 15 HA PHE 15 -0.362 4.675 3.763
114 HB2 PHE 15 HB2 PHE 15 2.565 4.133 4.428
115 HB3 PHE 15 HB3 PHE 15 2.014 5.755 4.006
116 HD1 PHE 15 HD1 PHE 15 -0.102 3.381 6.071
117 HD2 PHE 15 HD2 PHE 15 2.519 6.807 6.080
118 HE1 PHE 15 HE1 PHE 15 -0.843 3.953 8.333
119 HE2 PHE 15 HE2 PHE 15 1.761 7.364 8.350
120 HZ PHE 15 HZ PHE 15 0.052 5.963 9.480
121 H ARG 16 H ARG 16 0.379 6.475 2.307
122 HA ARG 16 HA ARG 16 0.687 5.518 -0.388
123 HB2 ARG 16 HB2 ARG 16 -0.392 7.651 -0.019
124 HB3 ARG 16 HB3 ARG 16 0.999 8.244 0.913
125 HG2 ARG 16 HG2 ARG 16 0.919 9.297 -1.300
126 HG3 ARG 16 HG3 ARG 16 2.419 8.365 -1.089
127 HD2 ARG 16 HD2 ARG 16 1.444 6.515 -2.465
128 HD3 ARG 16 HD3 ARG 16 -0.088 7.456 -2.620
129 HE ARG 16 HE ARG 16 2.087 9.115 -3.463
130 HH11 ARG 16 HH12 ARG 16 0.402 6.120 -4.533
131 HH12 ARG 16 HH11 ARG 16 0.823 6.411 -6.216
132 HH21 ARG 16 HH22 ARG 16 2.563 9.397 -5.628
133 HH22 ARG 16 HH21 ARG 16 2.014 8.227 -6.831
134 H LYS 17 H LYS 17 2.949 7.281 1.888
135 HA LYS 17 HA LYS 17 5.029 7.419 0.036
136 HB2 LYS 17 HB2 LYS 17 6.501 7.987 1.835
137 HB3 LYS 17 HB3 LYS 17 4.899 8.610 2.270
138 HG2 LYS 17 HG2 LYS 17 5.453 7.609 4.315
139 HG3 LYS 17 HG3 LYS 17 4.657 6.243 3.527
140 HD2 LYS 17 HD2 LYS 17 6.665 5.187 4.203
141 HD3 LYS 17 HD3 LYS 17 7.224 5.776 2.629
142 HE2 LYS 17 HE2 LYS 17 7.940 7.974 3.926
143 HE3 LYS 17 HE3 LYS 17 7.704 6.978 5.394
144 HZ1 LYS 17 HZ1 LYS 17 9.595 6.495 3.086
145 HZ2 LYS 17 HZ2 LYS 17 9.305 5.322 4.359
146 HZ3 LYS 17 HZ3 LYS 17 10.002 6.883 4.742
147 H ARG 18 H ARG 18 3.912 4.611 2.033
148 HA ARG 18 HA ARG 18 6.262 3.050 1.607
149 HB2 ARG 18 HB2 ARG 18 3.321 2.245 1.936
150 HB3 ARG 18 HB3 ARG 18 4.655 1.097 1.820
151 HG2 ARG 18 HG2 ARG 18 4.796 3.233 3.986
152 HG3 ARG 18 HG3 ARG 18 3.636 1.885 4.153
153 HD2 ARG 18 HD2 ARG 18 5.560 1.254 5.370
154 HD3 ARG 18 HD3 ARG 18 5.458 0.243 3.888
155 HE ARG 18 HE ARG 18 7.195 2.602 3.624
156 HH11 ARG 18 HH12 ARG 18 7.111 -0.679 5.118
157 HH12 ARG 18 HH11 ARG 18 8.857 -0.843 4.987
158 HH21 ARG 18 HH22 ARG 18 9.396 2.285 3.499
159 HH22 ARG 18 HH21 ARG 18 10.128 0.802 4.115
160 H LEU 19 H LEU 19 7.035 2.994 -0.567
161 HA LEU 19 HA LEU 19 5.332 2.532 -2.781
162 HB2 LEU 19 HB2 LEU 19 7.153 1.673 -3.995
163 HB3 LEU 19 HB3 LEU 19 7.705 3.126 -3.150
164 HG LEU 19 HG LEU 19 8.309 0.348 -1.944
165 HD11 LEU 19 HD11 LEU 19 10.368 0.178 -3.304
166 HD12 LEU 19 HD12 LEU 19 9.883 1.633 -4.229
167 HD13 LEU 19 HD13 LEU 19 8.921 0.124 -4.330
168 HD21 LEU 19 HD21 LEU 19 9.790 3.046 -1.902
169 HD22 LEU 19 HD22 LEU 19 10.505 1.518 -1.333
170 HD23 LEU 19 HD23 LEU 19 9.100 2.166 -0.501
171 H LYS 20 H LYS 20 6.467 0.277 -0.172
172 HA LYS 20 HA LYS 20 5.072 -1.904 -1.689
173 HB2 LYS 20 HB2 LYS 20 7.773 -1.847 -0.265
174 HB3 LYS 20 HB3 LYS 20 6.816 -3.349 -0.263
175 HG2 LYS 20 HG2 LYS 20 6.697 -3.382 -2.720
176 HG3 LYS 20 HG3 LYS 20 7.656 -1.871 -2.827
177 HD2 LYS 20 HD2 LYS 20 9.574 -3.026 -1.672
178 HD3 LYS 20 HD3 LYS 20 8.582 -4.511 -1.512
179 HE2 LYS 20 HE2 LYS 20 8.393 -4.605 -4.052
180 HE3 LYS 20 HE3 LYS 20 9.522 -3.214 -4.140
181 HZ1 LYS 20 HZ1 LYS 20 10.703 -5.325 -4.426
182 HZ2 LYS 20 HZ2 LYS 20 10.083 -5.928 -2.909
183 HZ3 LYS 20 HZ3 LYS 20 11.198 -4.580 -2.922
184 H CYS 21 H CYS 21 4.281 -3.738 -0.419
185 HA CYS 21 HA CYS 21 2.574 -2.607 1.558
186 HB2 CYS 21 HB2 CYS 21 1.997 -4.614 0.154
187 HB3 CYS 21 HB3 CYS 21 3.261 -5.553 1.014
188 H PHE 22 H PHE 22 2.491 -3.202 3.955
189 HA PHE 22 HA PHE 22 5.257 -3.637 4.982
190 HB2 PHE 22 HB2 PHE 22 3.588 -1.604 5.463
191 HB3 PHE 22 HB3 PHE 22 2.929 -2.678 6.715
192 HD1 PHE 22 HD2 PHE 22 5.885 -3.953 7.329
193 HD2 PHE 22 HD1 PHE 22 4.260 0.019 7.090
194 HE1 PHE 22 HE2 PHE 22 7.860 -3.063 8.496
195 HE2 PHE 22 HE1 PHE 22 6.237 0.905 8.259
196 HZ PHE 22 HZ PHE 22 8.074 -0.630 8.927
197 H ARG 23 H ARG 23 3.852 -5.904 3.882
198 HA ARG 23 HA ARG 23 3.795 -7.542 6.235
199 HB2 ARG 23 HB2 ARG 23 1.462 -6.332 5.905
200 HB3 ARG 23 HB3 ARG 23 1.129 -7.574 4.688
201 HG2 ARG 23 HG2 ARG 23 1.256 -9.359 6.367
202 HG3 ARG 23 HG3 ARG 23 2.063 -8.290 7.540
203 HD2 ARG 23 HD2 ARG 23 -0.119 -8.400 8.408
204 HD3 ARG 23 HD3 ARG 23 0.014 -6.852 7.657
205 HE ARG 23 HE ARG 23 -1.474 -7.353 5.963
206 HH11 ARG 23 HH12 ARG 23 -0.856 -10.376 7.842
207 HH12 ARG 23 HH11 ARG 23 -2.435 -11.016 7.416
208 HH21 ARG 23 HH22 ARG 23 -3.453 -8.274 5.507
209 HH22 ARG 23 HH21 ARG 23 -3.833 -9.900 6.077
210 H CYS 24 H CYS 24 2.644 -7.596 2.724
211 HA CYS 24 HA CYS 24 4.356 -10.049 2.425
212 HB2 CYS 24 HB2 CYS 24 2.904 -10.630 0.537
213 HB3 CYS 24 HB3 CYS 24 1.904 -10.368 1.998
214 H GLY 25 H GLY 25 5.101 -6.928 2.186
215 HA2 GLY 25 HA2 GLY 25 6.231 -5.597 0.685
216 HA3 GLY 25 HA3 GLY 25 7.109 -7.121 0.430
217 H ALA 26 H ALA 26 3.697 -6.954 -0.804
218 HA ALA 26 HA ALA 26 4.868 -7.174 -3.496
219 HB1 ALA 26 HB1 ALA 26 2.551 -7.544 -4.226
220 HB2 ALA 26 HB2 ALA 26 2.963 -8.610 -2.844
221 HB3 ALA 26 HB3 ALA 26 1.937 -7.161 -2.586
222 H ASP 27 H ASP 27 5.022 -5.288 -4.909
223 HA ASP 27 HA ASP 27 4.321 -2.764 -3.674
224 HB2 ASP 27 HB2 ASP 27 6.245 -3.148 -5.340
225 HB3 ASP 27 HB3 ASP 27 4.997 -3.156 -6.617
226 H LYS 28 H LYS 28 2.533 -1.310 -4.326
227 HA LYS 28 HA LYS 28 0.150 -2.643 -5.049
228 HB2 LYS 28 HB2 LYS 28 -0.777 -0.429 -5.644
229 HB3 LYS 28 HB3 LYS 28 -0.022 -0.453 -4.033
230 HG2 LYS 28 HG2 LYS 28 1.594 1.111 -4.596
231 HG3 LYS 28 HG3 LYS 28 1.875 0.389 -6.188
232 HD2 LYS 28 HD2 LYS 28 1.051 2.610 -6.570
233 HD3 LYS 28 HD3 LYS 28 -0.200 1.450 -7.090
234 HE2 LYS 28 HE2 LYS 28 -1.392 1.847 -4.858
235 HE3 LYS 28 HE3 LYS 28 -0.132 3.045 -4.438
236 HZ1 LYS 28 HZ1 LYS 28 -2.075 4.160 -5.326
237 HZ2 LYS 28 HZ2 LYS 28 -2.048 3.177 -6.778
238 HZ3 LYS 28 HZ3 LYS 28 -0.766 4.321 -6.472
239 H PHE 29 H PHE 29 2.825 -1.486 -7.199
240 HA PHE 29 HA PHE 29 0.988 -1.954 -9.527
241 HB2 PHE 29 HB2 PHE 29 2.513 0.301 -8.798
242 HB3 PHE 29 HB3 PHE 29 3.516 -0.482 -10.025
243 HD1 PHE 29 HD2 PHE 29 2.041 -1.353 -12.181
244 HD2 PHE 29 HD1 PHE 29 0.886 1.844 -9.537
245 HE1 PHE 29 HE2 PHE 29 0.582 -0.424 -13.933
246 HE2 PHE 29 HE1 PHE 29 -0.531 2.787 -11.312
247 HZ PHE 29 HZ PHE 29 -0.699 1.659 -13.516
248 H ASP 30 H ASP 30 2.789 -4.004 -7.808
249 HA ASP 30 HA ASP 30 3.627 -5.346 -10.243
250 HB2 ASP 30 HB2 ASP 30 5.533 -3.622 -9.635
251 HB3 ASP 30 HB3 ASP 30 5.864 -4.668 -8.238
252 HN1 NH2 31 HN1 NH2 31 2.310 -7.486 -7.471
253 HN2 NH2 31 HN2 NH2 31 1.689 -6.180 -8.408
254 H1 AQN 32 H1 AQN 2 3.356 2.714 6.426
255 H5 AQN 32 H5 AQN 2 -0.081 -0.818 7.165
256 H6 AQN 32 H6 AQN 2 -1.465 -2.202 8.726
257 H7 AQN 32 H7 AQN 2 -1.021 -2.129 11.143
258 H8 AQN 32 H8 AQN 2 0.603 -0.506 12.062
259 H12 AQN 32 H12 AQN 2 3.806 3.397 11.281
260 H13 AQN 32 H13 AQN 2 5.120 4.791 9.726
Start of MODEL 17
1 H1 ACE 0 H1 ACE 0 4.069 13.358 2.310
2 H2 ACE 0 H2 ACE 0 3.271 14.163 0.945
3 H3 ACE 0 H3 ACE 0 4.438 12.863 0.635
4 H LYS 1 H LYS 1 1.489 13.386 2.625
5 HA LYS 1 HA LYS 1 0.688 10.555 2.148
6 HB2 LYS 1 HB2 LYS 1 0.627 11.291 4.377
7 HB3 LYS 1 HB3 LYS 1 -0.369 12.729 4.020
8 HG2 LYS 1 HG2 LYS 1 -2.341 11.563 3.858
9 HG3 LYS 1 HG3 LYS 1 -1.599 10.109 3.131
10 HD2 LYS 1 HD2 LYS 1 -0.887 9.216 5.162
11 HD3 LYS 1 HD3 LYS 1 -0.984 10.750 6.071
12 HE2 LYS 1 HE2 LYS 1 -3.546 9.529 4.929
13 HE3 LYS 1 HE3 LYS 1 -2.838 8.904 6.449
14 HZ1 LYS 1 HZ1 LYS 1 -3.497 11.823 6.009
15 HZ2 LYS 1 HZ2 LYS 1 -2.931 11.062 7.478
16 HZ3 LYS 1 HZ3 LYS 1 -4.504 10.668 6.850
17 H PHE 2 H PHE 2 0.325 10.822 -0.194
18 HA PHE 2 HA PHE 2 -1.908 12.633 -0.954
19 HB2 PHE 2 HB2 PHE 2 0.377 12.331 -2.174
20 HB3 PHE 2 HB3 PHE 2 -0.246 10.788 -2.762
21 HD1 PHE 2 HD2 PHE 2 -0.671 14.469 -2.822
22 HD2 PHE 2 HD1 PHE 2 -2.086 10.752 -4.465
23 HE1 PHE 2 HE2 PHE 2 -1.629 15.681 -4.751
24 HE2 PHE 2 HE1 PHE 2 -3.113 11.980 -6.344
25 HZ PHE 2 HZ PHE 2 -2.845 14.439 -6.524
26 H GLU 3 H GLU 3 -2.953 10.921 0.831
27 HA GLU 3 HA GLU 3 -4.641 9.509 1.088
28 HB2 GLU 3 HB2 GLU 3 -5.331 10.454 -1.244
29 HB3 GLU 3 HB3 GLU 3 -4.865 8.838 -1.863
30 HG2 GLU 3 HG2 GLU 3 -6.438 7.810 -0.124
31 HG3 GLU 3 HG3 GLU 3 -6.936 9.461 0.347
32 H ASP 4 H ASP 4 -4.419 7.423 1.962
33 HA ASP 4 HA ASP 4 -2.124 5.818 1.276
34 HB2 ASP 4 HB2 ASP 4 -4.686 5.232 2.861
35 HB3 ASP 4 HB3 ASP 4 -3.247 4.191 2.903
36 H TRP 5 H TRP 5 -2.589 3.234 0.834
37 HA TRP 5 HA TRP 5 -4.723 2.988 -1.240
38 HB2 TRP 5 HB2 TRP 5 -3.051 1.856 -2.769
39 HB3 TRP 5 HB3 TRP 5 -2.675 3.576 -2.467
40 HD1 TRP 5 HD1 TRP 5 -0.741 4.128 -0.820
41 HE1 TRP 5 HE1 TRP 5 1.408 2.904 -0.169
42 HE3 TRP 5 HE3 TRP 5 -2.033 -0.649 -2.287
43 HZ2 TRP 5 HZ2 TRP 5 2.445 0.378 -0.265
44 HZ3 TRP 5 HZ3 TRP 5 -0.205 -2.393 -2.200
45 HH2 TRP 5 HH2 TRP 5 1.930 -1.906 -1.168
46 H LEU 6 H LEU 6 -5.118 0.670 -1.868
47 HA LEU 6 HA LEU 6 -4.756 -0.972 0.587
48 HB2 LEU 6 HB2 LEU 6 -7.091 -0.207 -0.384
49 HB3 LEU 6 HB3 LEU 6 -6.795 -1.460 -1.613
50 HG LEU 6 HG LEU 6 -6.340 -3.042 0.509
51 HD11 LEU 6 HD11 LEU 6 -6.428 -1.132 2.208
52 HD12 LEU 6 HD12 LEU 6 -7.643 -2.394 2.530
53 HD13 LEU 6 HD13 LEU 6 -8.134 -0.848 1.771
54 HD21 LEU 6 HD21 LEU 6 -8.227 -3.376 -1.045
55 HD22 LEU 6 HD22 LEU 6 -9.158 -2.059 -0.250
56 HD23 LEU 6 HD23 LEU 6 -8.787 -3.575 0.641
57 H CYS 7 H CYS 7 -3.433 -2.868 0.374
58 HA CYS 7 HA CYS 7 -2.265 -3.328 -2.238
59 HB2 CYS 7 HB2 CYS 7 -1.029 -3.657 -0.063
60 HB3 CYS 7 HB3 CYS 7 -2.120 -5.017 0.320
61 H ASN 8 H ASN 8 -2.985 -4.789 -3.858
62 HA ASN 8 HA ASN 8 -5.569 -6.117 -3.249
63 HB2 ASN 8 HB2 ASN 8 -4.489 -4.870 -5.592
64 HB3 ASN 8 HB3 ASN 8 -4.494 -6.601 -5.954
65 HD21 ASN 8 HD21 ASN 8 -6.651 -7.461 -6.523
66 HD22 ASN 8 HD22 ASN 8 -8.080 -6.514 -6.336
67 H LYS 9 H LYS 9 -2.335 -6.966 -2.781
68 HA LYS 9 HA LYS 9 -2.574 -9.710 -3.796
69 HB2 LYS 9 HB2 LYS 9 -0.570 -8.035 -3.844
70 HB3 LYS 9 HB3 LYS 9 -0.300 -8.484 -2.136
71 HG2 LYS 9 HG2 LYS 9 -0.290 -10.363 -4.588
72 HG3 LYS 9 HG3 LYS 9 1.144 -9.664 -3.791
73 HD2 LYS 9 HD2 LYS 9 0.518 -10.833 -1.625
74 HD3 LYS 9 HD3 LYS 9 -0.796 -11.661 -2.511
75 HE2 LYS 9 HE2 LYS 9 1.183 -13.107 -2.353
76 HE3 LYS 9 HE3 LYS 9 0.860 -12.697 -4.066
77 HZ1 LYS 9 HZ1 LYS 9 2.861 -11.154 -2.420
78 HZ2 LYS 9 HZ2 LYS 9 2.747 -11.269 -4.170
79 HZ3 LYS 9 HZ3 LYS 9 3.272 -12.642 -3.264
80 H CYS 10 H CYS 10 -2.171 -7.916 -0.587
81 HA CYS 10 HA CYS 10 -3.353 -10.334 0.751
82 HB2 CYS 10 HB2 CYS 10 -2.111 -9.672 2.727
83 HB3 CYS 10 HB3 CYS 10 -0.970 -9.654 1.347
84 H CYS 11 H CYS 11 -4.495 -7.291 -0.328
85 HA CYS 11 HA CYS 11 -6.261 -6.030 0.402
86 HB2 CYS 11 HB2 CYS 11 -7.106 -8.487 0.329
87 HB3 CYS 11 HB3 CYS 11 -7.090 -8.421 2.113
88 HG CYS 11 HG CYS 11 -8.708 -6.624 0.194
89 H LEU 12 H LEU 12 -3.926 -5.310 1.814
90 HA LEU 12 HA LEU 12 -5.204 -4.533 4.402
91 HB2 LEU 12 HB2 LEU 12 -3.670 -6.430 4.758
92 HB3 LEU 12 HB3 LEU 12 -2.318 -5.530 4.023
93 HG LEU 12 HG LEU 12 -3.774 -4.246 6.377
94 HD11 LEU 12 HD11 LEU 12 -2.324 -5.415 8.005
95 HD12 LEU 12 HD12 LEU 12 -1.756 -6.526 6.720
96 HD13 LEU 12 HD13 LEU 12 -3.478 -6.527 7.226
97 HD21 LEU 12 HD21 LEU 12 -1.786 -3.200 5.007
98 HD22 LEU 12 HD22 LEU 12 -0.756 -4.418 5.783
99 HD23 LEU 12 HD23 LEU 12 -1.622 -3.213 6.788
100 H ASN 13 H ASN 13 -4.557 -2.354 5.162
101 HA ASN 13 HA ASN 13 -4.081 -0.741 2.766
102 HB2 ASN 13 HB2 ASN 13 -5.946 -0.385 4.564
103 HB3 ASN 13 HB3 ASN 13 -4.641 0.244 5.594
104 HD21 ASN 13 HD21 ASN 13 -5.284 2.547 5.571
105 HD22 ASN 13 HD22 ASN 13 -5.524 3.419 4.116
106 H ASN 14 H ASN 14 -2.493 1.027 2.609
107 HA ASN 14 HA ASN 14 -0.207 0.692 4.519
108 HB2 ASN 14 HB2 ASN 14 0.416 0.869 1.615
109 HB3 ASN 14 HB3 ASN 14 1.222 -0.117 2.855
110 HD21 ASN 14 HD21 ASN 14 -0.016 -2.189 3.569
111 HD22 ASN 14 HD22 ASN 14 -1.084 -2.929 2.429
112 H PHE 15 H PHE 15 1.057 2.752 4.687
113 HA PHE 15 HA PHE 15 -0.436 5.035 3.855
114 HB2 PHE 15 HB2 PHE 15 2.468 4.788 4.795
115 HB3 PHE 15 HB3 PHE 15 1.734 6.350 4.406
116 HD1 PHE 15 HD1 PHE 15 -0.614 6.813 5.539
117 HD2 PHE 15 HD2 PHE 15 2.363 4.132 7.095
118 HE1 PHE 15 HE1 PHE 15 -1.602 7.025 7.794
119 HE2 PHE 15 HE2 PHE 15 1.346 4.309 9.339
120 HZ PHE 15 HZ PHE 15 -0.627 5.768 9.700
121 H ARG 16 H ARG 16 0.408 6.832 2.409
122 HA ARG 16 HA ARG 16 0.773 5.637 -0.163
123 HB2 ARG 16 HB2 ARG 16 -0.502 7.737 0.321
124 HB3 ARG 16 HB3 ARG 16 1.032 8.601 0.579
125 HG2 ARG 16 HG2 ARG 16 0.451 7.061 -2.033
126 HG3 ARG 16 HG3 ARG 16 -0.184 8.681 -1.767
127 HD2 ARG 16 HD2 ARG 16 2.008 9.667 -1.508
128 HD3 ARG 16 HD3 ARG 16 2.871 8.149 -1.628
129 HE ARG 16 HE ARG 16 1.748 9.784 -3.765
130 HH11 ARG 16 HH12 ARG 16 2.542 6.351 -2.938
131 HH12 ARG 16 HH11 ARG 16 2.678 5.923 -4.636
132 HH21 ARG 16 HH22 ARG 16 1.918 9.104 -5.880
133 HH22 ARG 16 HH21 ARG 16 2.332 7.430 -6.261
134 H LYS 17 H LYS 17 2.982 7.675 1.881
135 HA LYS 17 HA LYS 17 5.166 7.769 0.214
136 HB2 LYS 17 HB2 LYS 17 4.973 7.218 3.240
137 HB3 LYS 17 HB3 LYS 17 6.552 7.231 2.403
138 HG2 LYS 17 HG2 LYS 17 6.216 9.507 1.591
139 HG3 LYS 17 HG3 LYS 17 4.611 9.623 2.364
140 HD2 LYS 17 HD2 LYS 17 5.513 9.697 4.559
141 HD3 LYS 17 HD3 LYS 17 7.015 8.847 4.096
142 HE2 LYS 17 HE2 LYS 17 7.828 10.818 2.847
143 HE3 LYS 17 HE3 LYS 17 6.340 11.724 3.276
144 HZ1 LYS 17 HZ1 LYS 17 8.273 12.254 4.716
145 HZ2 LYS 17 HZ2 LYS 17 8.366 10.591 5.235
146 HZ3 LYS 17 HZ3 LYS 17 6.958 11.551 5.638
147 H ARG 18 H ARG 18 3.917 4.784 1.851
148 HA ARG 18 HA ARG 18 6.397 3.364 1.224
149 HB2 ARG 18 HB2 ARG 18 3.701 2.321 2.247
150 HB3 ARG 18 HB3 ARG 18 5.031 1.301 1.668
151 HG2 ARG 18 HG2 ARG 18 5.211 1.333 4.007
152 HG3 ARG 18 HG3 ARG 18 6.611 2.214 3.351
153 HD2 ARG 18 HD2 ARG 18 4.393 4.041 3.895
154 HD3 ARG 18 HD3 ARG 18 4.686 3.134 5.343
155 HE ARG 18 HE ARG 18 6.240 5.280 4.193
156 HH11 ARG 18 HH12 ARG 18 6.723 2.186 5.962
157 HH12 ARG 18 HH11 ARG 18 8.143 2.808 6.795
158 HH21 ARG 18 HH22 ARG 18 8.072 5.960 5.263
159 HH22 ARG 18 HH21 ARG 18 8.914 4.887 6.383
160 H LEU 19 H LEU 19 6.804 3.208 -1.034
161 HA LEU 19 HA LEU 19 4.654 2.833 -2.942
162 HB2 LEU 19 HB2 LEU 19 7.704 2.611 -3.035
163 HB3 LEU 19 HB3 LEU 19 6.801 1.816 -4.315
164 HG LEU 19 HG LEU 19 6.096 4.710 -3.702
165 HD11 LEU 19 HD11 LEU 19 8.541 4.780 -3.928
166 HD12 LEU 19 HD12 LEU 19 7.787 5.424 -5.415
167 HD13 LEU 19 HD13 LEU 19 8.477 3.768 -5.409
168 HD21 LEU 19 HD21 LEU 19 4.711 3.293 -5.332
169 HD22 LEU 19 HD22 LEU 19 6.172 3.072 -6.330
170 HD23 LEU 19 HD23 LEU 19 5.472 4.701 -6.107
171 H LYS 20 H LYS 20 5.799 0.605 -0.536
172 HA LYS 20 HA LYS 20 4.615 -1.559 -2.171
173 HB2 LYS 20 HB2 LYS 20 6.534 -3.039 -1.723
174 HB3 LYS 20 HB3 LYS 20 7.110 -1.506 -2.430
175 HG2 LYS 20 HG2 LYS 20 7.287 -0.919 0.313
176 HG3 LYS 20 HG3 LYS 20 7.517 -2.674 0.353
177 HD2 LYS 20 HD2 LYS 20 9.129 -0.624 -1.315
178 HD3 LYS 20 HD3 LYS 20 9.642 -1.339 0.235
179 HE2 LYS 20 HE2 LYS 20 9.652 -3.620 -0.795
180 HE3 LYS 20 HE3 LYS 20 9.175 -2.925 -2.374
181 HZ1 LYS 20 HZ1 LYS 20 11.223 -1.570 -2.386
182 HZ2 LYS 20 HZ2 LYS 20 11.578 -3.278 -2.258
183 HZ3 LYS 20 HZ3 LYS 20 11.702 -2.261 -0.849
184 H CYS 21 H CYS 21 4.061 -3.542 -0.828
185 HA CYS 21 HA CYS 21 2.408 -2.399 1.231
186 HB2 CYS 21 HB2 CYS 21 1.735 -4.321 -0.201
187 HB3 CYS 21 HB3 CYS 21 2.941 -5.356 0.622
188 H PHE 22 H PHE 22 2.575 -2.717 3.583
189 HA PHE 22 HA PHE 22 5.332 -3.525 4.448
190 HB2 PHE 22 HB2 PHE 22 4.565 -1.197 4.918
191 HB3 PHE 22 HB3 PHE 22 3.176 -1.846 5.831
192 HD1 PHE 22 HD2 PHE 22 6.963 -2.294 5.683
193 HD2 PHE 22 HD1 PHE 22 3.493 -1.806 8.193
194 HE1 PHE 22 HE2 PHE 22 8.380 -2.480 7.692
195 HE2 PHE 22 HE1 PHE 22 4.935 -1.891 10.187
196 HZ PHE 22 HZ PHE 22 7.376 -2.267 9.951
197 H ARG 23 H ARG 23 3.239 -5.484 3.652
198 HA ARG 23 HA ARG 23 3.399 -6.999 6.176
199 HB2 ARG 23 HB2 ARG 23 1.160 -6.094 6.182
200 HB3 ARG 23 HB3 ARG 23 0.809 -6.673 4.550
201 HG2 ARG 23 HG2 ARG 23 1.838 -8.862 6.319
202 HG3 ARG 23 HG3 ARG 23 0.441 -8.073 7.063
203 HD2 ARG 23 HD2 ARG 23 0.096 -8.851 4.167
204 HD3 ARG 23 HD3 ARG 23 0.278 -10.200 5.261
205 HE ARG 23 HE ARG 23 -2.026 -8.477 5.004
206 HH11 ARG 23 HH12 ARG 23 -0.165 -10.348 7.471
207 HH12 ARG 23 HH11 ARG 23 -1.597 -10.578 8.462
208 HH21 ARG 23 HH22 ARG 23 -3.785 -8.849 6.346
209 HH22 ARG 23 HH21 ARG 23 -3.593 -9.744 7.856
210 H CYS 24 H CYS 24 2.158 -7.458 2.712
211 HA CYS 24 HA CYS 24 3.731 -9.937 2.643
212 HB2 CYS 24 HB2 CYS 24 2.826 -10.280 0.414
213 HB3 CYS 24 HB3 CYS 24 1.530 -9.901 1.583
214 H GLY 25 H GLY 25 4.601 -6.575 2.074
215 HA2 GLY 25 HA2 GLY 25 6.642 -5.811 1.299
216 HA3 GLY 25 HA3 GLY 25 7.152 -7.503 1.132
217 H ALA 26 H ALA 26 4.210 -7.009 -0.710
218 HA ALA 26 HA ALA 26 5.908 -7.210 -3.105
219 HB1 ALA 26 HB1 ALA 26 3.965 -8.762 -2.675
220 HB2 ALA 26 HB2 ALA 26 2.850 -7.373 -2.888
221 HB3 ALA 26 HB3 ALA 26 3.899 -7.906 -4.243
222 H ASP 27 H ASP 27 5.657 -5.649 -4.924
223 HA ASP 27 HA ASP 27 5.241 -3.003 -3.889
224 HB2 ASP 27 HB2 ASP 27 6.931 -3.591 -5.672
225 HB3 ASP 27 HB3 ASP 27 5.582 -3.689 -6.838
226 H LYS 28 H LYS 28 3.726 -1.369 -4.883
227 HA LYS 28 HA LYS 28 1.027 -2.208 -4.889
228 HB2 LYS 28 HB2 LYS 28 2.430 0.202 -6.202
229 HB3 LYS 28 HB3 LYS 28 0.654 0.009 -6.168
230 HG2 LYS 28 HG2 LYS 28 0.474 0.256 -3.857
231 HG3 LYS 28 HG3 LYS 28 2.128 -0.329 -3.536
232 HD2 LYS 28 HD2 LYS 28 2.248 1.858 -2.869
233 HD3 LYS 28 HD3 LYS 28 3.026 1.837 -4.463
234 HE2 LYS 28 HE2 LYS 28 0.057 2.647 -4.115
235 HE3 LYS 28 HE3 LYS 28 1.385 3.796 -3.815
236 HZ1 LYS 28 HZ1 LYS 28 0.927 2.401 -6.459
237 HZ2 LYS 28 HZ2 LYS 28 2.201 3.549 -6.076
238 HZ3 LYS 28 HZ3 LYS 28 0.566 4.067 -6.039
239 H PHE 29 H PHE 29 3.450 -2.211 -7.596
240 HA PHE 29 HA PHE 29 1.205 -3.032 -9.406
241 HB2 PHE 29 HB2 PHE 29 3.010 -0.973 -9.672
242 HB3 PHE 29 HB3 PHE 29 3.917 -2.257 -10.487
243 HD1 PHE 29 HD2 PHE 29 0.540 -0.619 -10.165
244 HD2 PHE 29 HD1 PHE 29 3.192 -2.734 -12.814
245 HE1 PHE 29 HE2 PHE 29 -0.951 -0.103 -12.068
246 HE2 PHE 29 HE1 PHE 29 1.715 -2.180 -14.720
247 HZ PHE 29 HZ PHE 29 -0.352 -0.858 -14.355
248 H ASP 30 H ASP 30 2.076 -4.917 -7.496
249 HA ASP 30 HA ASP 30 2.939 -7.030 -9.352
250 HB2 ASP 30 HB2 ASP 30 4.710 -5.988 -7.106
251 HB3 ASP 30 HB3 ASP 30 4.641 -7.743 -7.397
252 HN1 NH2 31 HN1 NH2 31 1.506 -7.684 -5.489
253 HN2 NH2 31 HN2 NH2 31 2.628 -6.399 -5.710
254 H1 AQN 32 H1 AQN 2 2.332 1.634 6.874
255 H5 AQN 32 H5 AQN 2 -2.721 1.883 6.594
256 H6 AQN 32 H6 AQN 2 -4.945 1.510 7.684
257 H7 AQN 32 H7 AQN 2 -5.085 1.029 10.080
258 H8 AQN 32 H8 AQN 2 -3.032 0.848 11.439
259 H12 AQN 32 H12 AQN 2 2.014 1.005 11.777
260 H13 AQN 32 H13 AQN 2 4.220 1.227 10.710
Start of MODEL 18
1 H1 ACE 0 H1 ACE 0 2.175 16.344 0.965
2 H2 ACE 0 H2 ACE 0 0.926 17.598 0.838
3 H3 ACE 0 H3 ACE 0 2.120 17.414 -0.463
4 H LYS 1 H LYS 1 -0.155 15.320 1.375
5 HA LYS 1 HA LYS 1 -2.154 14.517 0.055
6 HB2 LYS 1 HB2 LYS 1 -1.411 15.091 -2.100
7 HB3 LYS 1 HB3 LYS 1 0.012 14.022 -2.044
8 HG2 LYS 1 HG2 LYS 1 -1.305 12.021 -2.066
9 HG3 LYS 1 HG3 LYS 1 -2.829 12.901 -1.730
10 HD2 LYS 1 HD2 LYS 1 -1.190 13.012 -4.348
11 HD3 LYS 1 HD3 LYS 1 -2.685 12.080 -4.037
12 HE2 LYS 1 HE2 LYS 1 -3.696 14.493 -3.374
13 HE3 LYS 1 HE3 LYS 1 -2.353 15.079 -4.407
14 HZ1 LYS 1 HZ1 LYS 1 -3.221 13.573 -6.202
15 HZ2 LYS 1 HZ2 LYS 1 -4.358 14.814 -5.706
16 HZ3 LYS 1 HZ3 LYS 1 -4.583 13.169 -5.167
17 H PHE 2 H PHE 2 -2.541 12.886 1.624
18 HA PHE 2 HA PHE 2 -0.491 10.689 1.863
19 HB2 PHE 2 HB2 PHE 2 -1.555 10.323 4.155
20 HB3 PHE 2 HB3 PHE 2 -0.570 11.783 3.961
21 HD1 PHE 2 HD2 PHE 2 -4.112 10.580 4.315
22 HD2 PHE 2 HD1 PHE 2 -1.493 13.991 4.177
23 HE1 PHE 2 HE2 PHE 2 -6.015 12.065 4.797
24 HE2 PHE 2 HE1 PHE 2 -3.389 15.460 4.750
25 HZ PHE 2 HZ PHE 2 -5.667 14.511 5.018
26 H GLU 3 H GLU 3 -2.027 10.598 -0.332
27 HA GLU 3 HA GLU 3 -4.591 9.331 0.155
28 HB2 GLU 3 HB2 GLU 3 -4.053 10.750 -1.783
29 HB3 GLU 3 HB3 GLU 3 -2.892 9.534 -2.399
30 HG2 GLU 3 HG2 GLU 3 -4.779 7.903 -2.671
31 HG3 GLU 3 HG3 GLU 3 -5.920 9.088 -1.969
32 H ASP 4 H ASP 4 -3.748 7.684 1.715
33 HA ASP 4 HA ASP 4 -1.866 5.709 1.078
34 HB2 ASP 4 HB2 ASP 4 -3.168 4.319 2.815
35 HB3 ASP 4 HB3 ASP 4 -2.682 5.950 3.326
36 H TRP 5 H TRP 5 -2.378 3.260 0.743
37 HA TRP 5 HA TRP 5 -4.561 2.921 -1.283
38 HB2 TRP 5 HB2 TRP 5 -2.910 1.751 -2.790
39 HB3 TRP 5 HB3 TRP 5 -2.509 3.464 -2.524
40 HD1 TRP 5 HD1 TRP 5 -0.542 4.019 -0.884
41 HE1 TRP 5 HE1 TRP 5 1.620 2.791 -0.333
42 HE3 TRP 5 HE3 TRP 5 -1.891 -0.753 -2.352
43 HZ2 TRP 5 HZ2 TRP 5 2.669 0.279 -0.513
44 HZ3 TRP 5 HZ3 TRP 5 -0.054 -2.490 -2.356
45 HH2 TRP 5 HH2 TRP 5 2.127 -2.000 -1.419
46 H LEU 6 H LEU 6 -4.673 0.414 -1.850
47 HA LEU 6 HA LEU 6 -4.315 -1.015 0.744
48 HB2 LEU 6 HB2 LEU 6 -6.545 0.175 0.214
49 HB3 LEU 6 HB3 LEU 6 -6.836 -1.118 -0.981
50 HG LEU 6 HG LEU 6 -6.319 -1.479 2.062
51 HD11 LEU 6 HD11 LEU 6 -8.944 -1.742 0.490
52 HD12 LEU 6 HD12 LEU 6 -8.506 -0.384 1.579
53 HD13 LEU 6 HD13 LEU 6 -8.709 -2.029 2.245
54 HD21 LEU 6 HD21 LEU 6 -5.549 -3.471 0.814
55 HD22 LEU 6 HD22 LEU 6 -7.109 -3.549 -0.076
56 HD23 LEU 6 HD23 LEU 6 -7.062 -3.837 1.697
57 H CYS 7 H CYS 7 -2.762 -2.573 0.239
58 HA CYS 7 HA CYS 7 -2.144 -3.377 -2.325
59 HB2 CYS 7 HB2 CYS 7 -0.760 -3.797 -0.263
60 HB3 CYS 7 HB3 CYS 7 -1.937 -5.040 0.245
61 H ASN 8 H ASN 8 -3.103 -4.727 -3.892
62 HA ASN 8 HA ASN 8 -5.723 -5.821 -3.114
63 HB2 ASN 8 HB2 ASN 8 -4.760 -4.680 -5.488
64 HB3 ASN 8 HB3 ASN 8 -4.739 -6.415 -5.867
65 HD21 ASN 8 HD21 ASN 8 -6.993 -7.537 -4.959
66 HD22 ASN 8 HD22 ASN 8 -8.403 -6.617 -5.360
67 H LYS 9 H LYS 9 -2.492 -7.003 -2.928
68 HA LYS 9 HA LYS 9 -3.194 -9.695 -3.832
69 HB2 LYS 9 HB2 LYS 9 -1.036 -8.324 -4.253
70 HB3 LYS 9 HB3 LYS 9 -0.538 -8.741 -2.593
71 HG2 LYS 9 HG2 LYS 9 -1.379 -10.874 -4.668
72 HG3 LYS 9 HG3 LYS 9 0.244 -10.172 -4.720
73 HD2 LYS 9 HD2 LYS 9 -0.731 -11.352 -2.083
74 HD3 LYS 9 HD3 LYS 9 -0.175 -12.421 -3.409
75 HE2 LYS 9 HE2 LYS 9 2.010 -11.268 -3.536
76 HE3 LYS 9 HE3 LYS 9 1.518 -10.129 -2.252
77 HZ1 LYS 9 HZ1 LYS 9 1.771 -13.137 -1.981
78 HZ2 LYS 9 HZ2 LYS 9 1.309 -12.039 -0.700
79 HZ3 LYS 9 HZ3 LYS 9 2.916 -11.968 -1.420
80 H CYS 10 H CYS 10 -2.208 -7.990 -0.717
81 HA CYS 10 HA CYS 10 -3.370 -10.343 0.736
82 HB2 CYS 10 HB2 CYS 10 -1.949 -9.743 2.553
83 HB3 CYS 10 HB3 CYS 10 -0.925 -9.643 1.091
84 H CYS 11 H CYS 11 -4.438 -7.211 -0.240
85 HA CYS 11 HA CYS 11 -6.133 -5.942 0.555
86 HB2 CYS 11 HB2 CYS 11 -7.066 -8.361 0.551
87 HB3 CYS 11 HB3 CYS 11 -6.994 -8.268 2.334
88 HG CYS 11 HG CYS 11 -8.591 -6.440 0.419
89 H LEU 12 H LEU 12 -3.792 -5.140 1.795
90 HA LEU 12 HA LEU 12 -4.782 -4.574 4.566
91 HB2 LEU 12 HB2 LEU 12 -2.916 -6.241 4.465
92 HB3 LEU 12 HB3 LEU 12 -1.889 -5.032 3.662
93 HG LEU 12 HG LEU 12 -1.430 -5.392 6.058
94 HD11 LEU 12 HD11 LEU 12 -1.325 -2.900 4.821
95 HD12 LEU 12 HD12 LEU 12 -0.693 -3.261 6.443
96 HD13 LEU 12 HD13 LEU 12 -2.298 -2.540 6.257
97 HD21 LEU 12 HD21 LEU 12 -2.815 -4.778 7.892
98 HD22 LEU 12 HD22 LEU 12 -3.797 -5.804 6.812
99 HD23 LEU 12 HD23 LEU 12 -4.064 -4.056 6.846
100 H ASN 13 H ASN 13 -4.498 -2.337 5.243
101 HA ASN 13 HA ASN 13 -4.301 -0.573 2.936
102 HB2 ASN 13 HB2 ASN 13 -6.051 -0.584 4.874
103 HB3 ASN 13 HB3 ASN 13 -4.845 0.392 5.743
104 HD21 ASN 13 HD21 ASN 13 -4.238 2.549 4.527
105 HD22 ASN 13 HD22 ASN 13 -5.417 3.186 3.437
106 H ASN 14 H ASN 14 -2.364 0.471 2.321
107 HA ASN 14 HA ASN 14 -0.132 0.376 4.336
108 HB2 ASN 14 HB2 ASN 14 0.345 0.823 1.423
109 HB3 ASN 14 HB3 ASN 14 1.310 -0.142 2.561
110 HD21 ASN 14 HD21 ASN 14 0.267 -2.333 3.248
111 HD22 ASN 14 HD22 ASN 14 -0.848 -3.109 2.179
112 H PHE 15 H PHE 15 1.285 2.430 4.313
113 HA PHE 15 HA PHE 15 -0.391 4.737 3.752
114 HB2 PHE 15 HB2 PHE 15 2.508 4.473 4.729
115 HB3 PHE 15 HB3 PHE 15 1.851 6.050 4.258
116 HD1 PHE 15 HD1 PHE 15 -0.476 6.746 5.187
117 HD2 PHE 15 HD2 PHE 15 2.151 3.917 7.077
118 HE1 PHE 15 HE1 PHE 15 -1.713 7.018 7.306
119 HE2 PHE 15 HE2 PHE 15 0.923 4.214 9.208
120 HZ PHE 15 HZ PHE 15 -1.036 5.728 9.315
121 H ARG 16 H ARG 16 0.309 6.596 2.356
122 HA ARG 16 HA ARG 16 0.883 5.653 -0.293
123 HB2 ARG 16 HB2 ARG 16 -0.377 7.837 0.342
124 HB3 ARG 16 HB3 ARG 16 1.233 8.510 0.705
125 HG2 ARG 16 HG2 ARG 16 1.782 7.584 -1.804
126 HG3 ARG 16 HG3 ARG 16 0.001 7.616 -1.953
127 HD2 ARG 16 HD2 ARG 16 0.115 10.074 -1.213
128 HD3 ARG 16 HD3 ARG 16 1.907 9.883 -1.188
129 HE ARG 16 HE ARG 16 0.781 9.103 -3.757
130 HH11 ARG 16 HH12 ARG 16 1.597 12.021 -1.801
131 HH12 ARG 16 HH11 ARG 16 1.912 12.973 -3.247
132 HH21 ARG 16 HH22 ARG 16 1.150 10.429 -5.525
133 HH22 ARG 16 HH21 ARG 16 1.633 12.113 -5.303
134 H LYS 17 H LYS 17 2.863 7.314 2.260
135 HA LYS 17 HA LYS 17 5.106 7.797 0.752
136 HB2 LYS 17 HB2 LYS 17 6.399 7.900 2.745
137 HB3 LYS 17 HB3 LYS 17 4.751 8.336 3.266
138 HG2 LYS 17 HG2 LYS 17 4.495 5.816 3.924
139 HG3 LYS 17 HG3 LYS 17 6.257 5.679 3.612
140 HD2 LYS 17 HD2 LYS 17 6.529 7.593 5.374
141 HD3 LYS 17 HD3 LYS 17 4.800 7.318 5.755
142 HE2 LYS 17 HE2 LYS 17 5.437 4.797 6.025
143 HE3 LYS 17 HE3 LYS 17 7.144 5.343 5.966
144 HZ1 LYS 17 HZ1 LYS 17 6.711 6.762 7.915
145 HZ2 LYS 17 HZ2 LYS 17 6.451 5.064 8.243
146 HZ3 LYS 17 HZ3 LYS 17 5.077 6.134 8.021
147 H ARG 18 H ARG 18 3.990 4.583 1.981
148 HA ARG 18 HA ARG 18 6.519 3.298 1.262
149 HB2 ARG 18 HB2 ARG 18 3.733 2.221 1.984
150 HB3 ARG 18 HB3 ARG 18 5.125 1.200 1.609
151 HG2 ARG 18 HG2 ARG 18 5.555 3.290 3.759
152 HG3 ARG 18 HG3 ARG 18 4.458 1.950 4.133
153 HD2 ARG 18 HD2 ARG 18 6.749 1.278 4.856
154 HD3 ARG 18 HD3 ARG 18 6.166 0.277 3.549
155 HE ARG 18 HE ARG 18 7.767 0.990 2.104
156 HH11 ARG 18 HH12 ARG 18 7.715 3.270 4.904
157 HH12 ARG 18 HH11 ARG 18 9.192 4.054 4.367
158 HH21 ARG 18 HH22 ARG 18 9.627 2.075 1.516
159 HH22 ARG 18 HH21 ARG 18 10.250 3.400 2.503
160 H LEU 19 H LEU 19 7.008 2.992 -1.021
161 HA LEU 19 HA LEU 19 4.793 2.789 -2.921
162 HB2 LEU 19 HB2 LEU 19 7.820 2.367 -3.184
163 HB3 LEU 19 HB3 LEU 19 6.739 1.603 -4.349
164 HG LEU 19 HG LEU 19 5.643 3.932 -4.747
165 HD11 LEU 19 HD11 LEU 19 6.812 5.087 -2.805
166 HD12 LEU 19 HD12 LEU 19 7.146 5.859 -4.387
167 HD13 LEU 19 HD13 LEU 19 8.385 4.811 -3.627
168 HD21 LEU 19 HD21 LEU 19 6.900 2.715 -6.445
169 HD22 LEU 19 HD22 LEU 19 8.458 3.244 -5.733
170 HD23 LEU 19 HD23 LEU 19 7.347 4.439 -6.479
171 H LYS 20 H LYS 20 6.048 0.507 -0.557
172 HA LYS 20 HA LYS 20 4.885 -1.666 -2.237
173 HB2 LYS 20 HB2 LYS 20 6.728 -3.167 -1.423
174 HB3 LYS 20 HB3 LYS 20 7.292 -1.848 -2.487
175 HG2 LYS 20 HG2 LYS 20 8.085 -0.549 -0.484
176 HG3 LYS 20 HG3 LYS 20 7.411 -1.799 0.603
177 HD2 LYS 20 HD2 LYS 20 9.841 -1.945 0.379
178 HD3 LYS 20 HD3 LYS 20 9.092 -3.436 -0.257
179 HE2 LYS 20 HE2 LYS 20 9.673 -2.928 -2.493
180 HE3 LYS 20 HE3 LYS 20 9.703 -1.160 -2.218
181 HZ1 LYS 20 HZ1 LYS 20 11.760 -1.298 -1.035
182 HZ2 LYS 20 HZ2 LYS 20 11.937 -2.108 -2.567
183 HZ3 LYS 20 HZ3 LYS 20 11.765 -3.049 -1.093
184 H CYS 21 H CYS 21 4.220 -3.613 -0.975
185 HA CYS 21 HA CYS 21 2.517 -2.506 1.041
186 HB2 CYS 21 HB2 CYS 21 1.809 -4.359 -0.422
187 HB3 CYS 21 HB3 CYS 21 3.009 -5.447 0.333
188 H PHE 22 H PHE 22 2.679 -2.719 3.366
189 HA PHE 22 HA PHE 22 5.346 -3.668 4.346
190 HB2 PHE 22 HB2 PHE 22 4.695 -1.323 4.748
191 HB3 PHE 22 HB3 PHE 22 3.205 -1.854 5.577
192 HD1 PHE 22 HD1 PHE 22 6.952 -2.493 5.733
193 HD2 PHE 22 HD2 PHE 22 3.312 -1.845 7.948
194 HE1 PHE 22 HE1 PHE 22 8.193 -2.717 7.858
195 HE2 PHE 22 HE2 PHE 22 4.576 -1.981 10.057
196 HZ PHE 22 HZ PHE 22 7.011 -2.452 10.024
197 H ARG 23 H ARG 23 3.229 -5.579 3.544
198 HA ARG 23 HA ARG 23 3.142 -6.962 6.148
199 HB2 ARG 23 HB2 ARG 23 0.893 -5.912 5.800
200 HB3 ARG 23 HB3 ARG 23 0.674 -6.853 4.314
201 HG2 ARG 23 HG2 ARG 23 1.517 -8.808 6.149
202 HG3 ARG 23 HG3 ARG 23 0.597 -7.751 7.226
203 HD2 ARG 23 HD2 ARG 23 -0.642 -8.780 4.602
204 HD3 ARG 23 HD3 ARG 23 -0.406 -9.869 6.004
205 HE ARG 23 HE ARG 23 -1.828 -7.637 6.970
206 HH11 ARG 23 HH12 ARG 23 -2.260 -10.479 4.786
207 HH12 ARG 23 HH11 ARG 23 -3.963 -10.608 5.186
208 HH21 ARG 23 HH22 ARG 23 -4.011 -7.973 7.467
209 HH22 ARG 23 HH21 ARG 23 -4.936 -9.223 6.641
210 H CYS 24 H CYS 24 2.152 -7.481 2.596
211 HA CYS 24 HA CYS 24 3.589 -10.042 2.743
212 HB2 CYS 24 HB2 CYS 24 2.768 -10.441 0.516
213 HB3 CYS 24 HB3 CYS 24 1.427 -9.966 1.593
214 H GLY 25 H GLY 25 4.468 -6.709 1.780
215 HA2 GLY 25 HA2 GLY 25 6.668 -6.164 1.189
216 HA3 GLY 25 HA3 GLY 25 7.011 -7.850 0.770
217 H ALA 26 H ALA 26 4.535 -8.117 -1.044
218 HA ALA 26 HA ALA 26 5.868 -7.519 -3.399
219 HB1 ALA 26 HB1 ALA 26 3.896 -9.042 -3.303
220 HB2 ALA 26 HB2 ALA 26 2.822 -7.632 -3.011
221 HB3 ALA 26 HB3 ALA 26 3.677 -7.801 -4.574
222 H ASP 27 H ASP 27 5.356 -5.913 -5.166
223 HA ASP 27 HA ASP 27 5.275 -3.276 -3.908
224 HB2 ASP 27 HB2 ASP 27 6.855 -3.933 -5.778
225 HB3 ASP 27 HB3 ASP 27 5.453 -3.944 -6.890
226 H LYS 28 H LYS 28 3.817 -1.517 -4.981
227 HA LYS 28 HA LYS 28 1.067 -2.219 -4.847
228 HB2 LYS 28 HB2 LYS 28 2.522 0.049 -6.337
229 HB3 LYS 28 HB3 LYS 28 0.746 -0.045 -6.202
230 HG2 LYS 28 HG2 LYS 28 0.731 0.271 -3.869
231 HG3 LYS 28 HG3 LYS 28 2.416 -0.253 -3.646
232 HD2 LYS 28 HD2 LYS 28 2.499 2.050 -3.224
233 HD3 LYS 28 HD3 LYS 28 3.136 1.875 -4.874
234 HE2 LYS 28 HE2 LYS 28 0.348 2.289 -5.320
235 HE3 LYS 28 HE3 LYS 28 0.650 3.240 -3.844
236 HZ1 LYS 28 HZ1 LYS 28 2.553 4.336 -5.071
237 HZ2 LYS 28 HZ2 LYS 28 0.986 4.614 -5.786
238 HZ3 LYS 28 HZ3 LYS 28 2.074 3.446 -6.509
239 H PHE 29 H PHE 29 3.420 -2.283 -7.626
240 HA PHE 29 HA PHE 29 1.152 -3.162 -9.373
241 HB2 PHE 29 HB2 PHE 29 3.038 -1.184 -9.747
242 HB3 PHE 29 HB3 PHE 29 3.884 -2.546 -10.502
243 HD1 PHE 29 HD2 PHE 29 0.645 -0.657 -10.293
244 HD2 PHE 29 HD1 PHE 29 3.064 -3.220 -12.762
245 HE1 PHE 29 HE2 PHE 29 -0.785 -0.130 -12.238
246 HE2 PHE 29 HE1 PHE 29 1.632 -2.679 -14.709
247 HZ PHE 29 HZ PHE 29 -0.279 -1.120 -14.457
248 H ASP 30 H ASP 30 2.461 -4.961 -7.277
249 HA ASP 30 HA ASP 30 3.085 -7.102 -7.174
250 HB2 ASP 30 HB2 ASP 30 1.489 -7.434 -9.076
251 HB3 ASP 30 HB3 ASP 30 2.861 -7.394 -10.217
252 HN1 NH2 31 HN1 NH2 31 6.356 -6.245 -9.603
253 HN2 NH2 31 HN2 NH2 31 4.800 -5.900 -10.238
254 H1 AQN 32 H1 AQN 2 2.005 1.242 6.597
255 H5 AQN 32 H5 AQN 2 -2.892 2.106 6.471
256 H6 AQN 32 H6 AQN 2 -5.142 2.073 7.579
257 H7 AQN 32 H7 AQN 2 -5.271 1.819 10.048
258 H8 AQN 32 H8 AQN 2 -3.210 1.581 11.378
259 H12 AQN 32 H12 AQN 2 1.884 1.255 11.547
260 H13 AQN 32 H13 AQN 2 4.048 1.191 10.373
Start of MODEL 19
1 H1 ACE 0 H1 ACE 0 -2.736 13.282 8.592
2 H2 ACE 0 H2 ACE 0 -3.793 14.080 7.410
3 H3 ACE 0 H3 ACE 0 -2.064 14.479 7.451
4 H LYS 1 H LYS 1 -4.125 11.534 7.250
5 HA LYS 1 HA LYS 1 -2.106 10.233 5.496
6 HB2 LYS 1 HB2 LYS 1 -3.241 8.984 7.344
7 HB3 LYS 1 HB3 LYS 1 -4.808 9.277 6.547
8 HG2 LYS 1 HG2 LYS 1 -3.268 8.169 4.450
9 HG3 LYS 1 HG3 LYS 1 -2.624 7.300 5.873
10 HD2 LYS 1 HD2 LYS 1 -5.585 7.540 5.038
11 HD3 LYS 1 HD3 LYS 1 -4.540 6.125 4.736
12 HE2 LYS 1 HE2 LYS 1 -4.474 5.460 6.982
13 HE3 LYS 1 HE3 LYS 1 -4.882 7.073 7.631
14 HZ1 LYS 1 HZ1 LYS 1 -6.815 5.370 6.062
15 HZ2 LYS 1 HZ2 LYS 1 -7.124 6.907 6.833
16 HZ3 LYS 1 HZ3 LYS 1 -6.754 5.509 7.812
17 H PHE 2 H PHE 2 -2.422 11.981 3.782
18 HA PHE 2 HA PHE 2 -4.964 11.513 2.212
19 HB2 PHE 2 HB2 PHE 2 -4.408 13.768 1.155
20 HB3 PHE 2 HB3 PHE 2 -4.946 13.791 2.842
21 HD1 PHE 2 HD1 PHE 2 -1.898 14.120 0.672
22 HD2 PHE 2 HD2 PHE 2 -3.543 14.608 4.615
23 HE1 PHE 2 HE1 PHE 2 0.193 15.198 1.415
24 HE2 PHE 2 HE2 PHE 2 -1.493 15.785 5.317
25 HZ PHE 2 HZ PHE 2 0.401 16.043 3.739
26 H GLU 3 H GLU 3 -2.793 9.581 2.243
27 HA GLU 3 HA GLU 3 -2.234 9.630 -0.596
28 HB2 GLU 3 HB2 GLU 3 -0.516 11.201 1.041
29 HB3 GLU 3 HB3 GLU 3 0.372 9.688 0.906
30 HG2 GLU 3 HG2 GLU 3 1.183 10.815 -0.967
31 HG3 GLU 3 HG3 GLU 3 -0.174 9.947 -1.717
32 H ASP 4 H ASP 4 -3.202 7.430 -0.478
33 HA ASP 4 HA ASP 4 -1.404 5.411 0.725
34 HB2 ASP 4 HB2 ASP 4 -3.901 6.491 1.988
35 HB3 ASP 4 HB3 ASP 4 -3.977 4.747 1.722
36 H TRP 5 H TRP 5 -2.514 3.093 0.447
37 HA TRP 5 HA TRP 5 -4.366 2.997 -1.823
38 HB2 TRP 5 HB2 TRP 5 -2.700 1.661 -3.249
39 HB3 TRP 5 HB3 TRP 5 -2.308 3.388 -3.066
40 HD1 TRP 5 HD1 TRP 5 -0.396 4.052 -1.359
41 HE1 TRP 5 HE1 TRP 5 1.751 2.859 -0.703
42 HE3 TRP 5 HE3 TRP 5 -1.702 -0.811 -2.518
43 HZ2 TRP 5 HZ2 TRP 5 2.844 0.350 -0.780
44 HZ3 TRP 5 HZ3 TRP 5 0.105 -2.571 -2.295
45 HH2 TRP 5 HH2 TRP 5 2.348 -1.954 -1.609
46 H LEU 6 H LEU 6 -5.256 0.835 -2.172
47 HA LEU 6 HA LEU 6 -4.679 -0.992 0.089
48 HB2 LEU 6 HB2 LEU 6 -6.977 -0.770 -1.879
49 HB3 LEU 6 HB3 LEU 6 -6.439 -2.411 -1.448
50 HG LEU 6 HG LEU 6 -6.691 -1.950 0.969
51 HD11 LEU 6 HD11 LEU 6 -7.885 0.753 0.070
52 HD12 LEU 6 HD12 LEU 6 -6.357 0.550 0.974
53 HD13 LEU 6 HD13 LEU 6 -7.904 0.099 1.740
54 HD21 LEU 6 HD21 LEU 6 -8.585 -2.924 -0.442
55 HD22 LEU 6 HD22 LEU 6 -9.271 -1.269 -0.581
56 HD23 LEU 6 HD23 LEU 6 -9.129 -2.057 1.029
57 H CYS 7 H CYS 7 -3.540 -2.951 -0.146
58 HA CYS 7 HA CYS 7 -2.030 -3.267 -2.617
59 HB2 CYS 7 HB2 CYS 7 -1.179 -3.843 -0.301
60 HB3 CYS 7 HB3 CYS 7 -2.404 -5.149 -0.210
61 H ASN 8 H ASN 8 -2.131 -5.244 -4.009
62 HA ASN 8 HA ASN 8 -4.989 -6.164 -4.208
63 HB2 ASN 8 HB2 ASN 8 -3.407 -4.770 -6.038
64 HB3 ASN 8 HB3 ASN 8 -3.194 -6.437 -6.601
65 HD21 ASN 8 HD21 ASN 8 -4.877 -3.910 -7.610
66 HD22 ASN 8 HD22 ASN 8 -6.427 -4.610 -7.877
67 H LYS 9 H LYS 9 -3.385 -7.223 -2.264
68 HA LYS 9 HA LYS 9 -2.948 -9.976 -3.193
69 HB2 LYS 9 HB2 LYS 9 -0.903 -8.215 -3.444
70 HB3 LYS 9 HB3 LYS 9 -0.598 -8.629 -1.741
71 HG2 LYS 9 HG2 LYS 9 -0.793 -10.691 -4.017
72 HG3 LYS 9 HG3 LYS 9 0.722 -9.929 -3.465
73 HD2 LYS 9 HD2 LYS 9 0.460 -10.849 -1.190
74 HD3 LYS 9 HD3 LYS 9 -1.083 -11.631 -1.661
75 HE2 LYS 9 HE2 LYS 9 0.071 -13.030 -3.324
76 HE3 LYS 9 HE3 LYS 9 1.620 -12.178 -3.073
77 HZ1 LYS 9 HZ1 LYS 9 1.210 -14.456 -1.904
78 HZ2 LYS 9 HZ2 LYS 9 0.305 -13.530 -0.739
79 HZ3 LYS 9 HZ3 LYS 9 1.994 -13.166 -1.024
80 H CYS 10 H CYS 10 -2.305 -7.712 -0.324
81 HA CYS 10 HA CYS 10 -3.935 -9.615 1.318
82 HB2 CYS 10 HB2 CYS 10 -2.686 -8.760 3.233
83 HB3 CYS 10 HB3 CYS 10 -1.539 -9.317 1.977
84 H CYS 11 H CYS 11 -4.573 -6.749 -0.353
85 HA CYS 11 HA CYS 11 -6.040 -5.044 0.023
86 HB2 CYS 11 HB2 CYS 11 -7.349 -7.029 1.969
87 HB3 CYS 11 HB3 CYS 11 -8.130 -5.726 1.023
88 HG CYS 11 HG CYS 11 -6.866 -8.295 -0.109
89 H LEU 12 H LEU 12 -3.648 -4.775 1.726
90 HA LEU 12 HA LEU 12 -4.871 -3.654 4.205
91 HB2 LEU 12 HB2 LEU 12 -3.015 -5.327 4.338
92 HB3 LEU 12 HB3 LEU 12 -1.945 -4.205 3.466
93 HG LEU 12 HG LEU 12 -1.516 -4.267 5.847
94 HD11 LEU 12 HD11 LEU 12 -0.983 -2.061 6.139
95 HD12 LEU 12 HD12 LEU 12 -2.613 -1.488 5.750
96 HD13 LEU 12 HD13 LEU 12 -1.492 -1.950 4.434
97 HD21 LEU 12 HD21 LEU 12 -3.758 -4.843 6.716
98 HD22 LEU 12 HD22 LEU 12 -4.305 -3.159 6.450
99 HD23 LEU 12 HD23 LEU 12 -2.989 -3.498 7.604
100 H ASN 13 H ASN 13 -4.659 -1.340 4.573
101 HA ASN 13 HA ASN 13 -4.128 0.174 2.144
102 HB2 ASN 13 HB2 ASN 13 -6.025 0.578 3.763
103 HB3 ASN 13 HB3 ASN 13 -4.835 1.166 4.956
104 HD21 ASN 13 HD21 ASN 13 -5.850 3.339 4.896
105 HD22 ASN 13 HD22 ASN 13 -5.732 4.337 3.494
106 H ASN 14 H ASN 14 -1.915 0.892 1.663
107 HA ASN 14 HA ASN 14 -0.096 1.168 4.045
108 HB2 ASN 14 HB2 ASN 14 0.739 0.601 1.185
109 HB3 ASN 14 HB3 ASN 14 1.741 0.514 2.649
110 HD21 ASN 14 HD21 ASN 14 -0.962 -1.097 0.816
111 HD22 ASN 14 HD22 ASN 14 -0.964 -2.531 1.754
112 H PHE 15 H PHE 15 1.625 2.937 3.759
113 HA PHE 15 HA PHE 15 0.329 5.285 2.781
114 HB2 PHE 15 HB2 PHE 15 3.229 4.839 3.652
115 HB3 PHE 15 HB3 PHE 15 2.650 6.397 3.028
116 HD1 PHE 15 HD1 PHE 15 0.647 7.547 4.070
117 HD2 PHE 15 HD2 PHE 15 2.761 4.351 6.015
118 HE1 PHE 15 HE1 PHE 15 -0.324 8.221 6.238
119 HE2 PHE 15 HE2 PHE 15 1.723 4.985 8.174
120 HZ PHE 15 HZ PHE 15 0.137 6.885 8.277
121 H ARG 16 H ARG 16 0.905 6.688 0.995
122 HA ARG 16 HA ARG 16 1.554 5.243 -1.411
123 HB2 ARG 16 HB2 ARG 16 0.115 7.244 -1.560
124 HB3 ARG 16 HB3 ARG 16 1.370 8.219 -0.738
125 HG2 ARG 16 HG2 ARG 16 1.328 8.799 -3.079
126 HG3 ARG 16 HG3 ARG 16 2.886 8.107 -2.615
127 HD2 ARG 16 HD2 ARG 16 1.336 5.879 -3.585
128 HD3 ARG 16 HD3 ARG 16 1.001 7.165 -4.720
129 HE ARG 16 HE ARG 16 3.523 5.746 -4.191
130 HH11 ARG 16 HH12 ARG 16 2.256 8.930 -5.361
131 HH12 ARG 16 HH11 ARG 16 3.724 9.231 -6.281
132 HH21 ARG 16 HH22 ARG 16 5.328 6.260 -5.388
133 HH22 ARG 16 HH21 ARG 16 5.419 7.767 -6.298
134 H LYS 17 H LYS 17 3.445 7.428 0.767
135 HA LYS 17 HA LYS 17 5.727 7.595 -0.826
136 HB2 LYS 17 HB2 LYS 17 5.696 7.099 2.228
137 HB3 LYS 17 HB3 LYS 17 7.107 7.564 1.242
138 HG2 LYS 17 HG2 LYS 17 5.708 9.670 0.506
139 HG3 LYS 17 HG3 LYS 17 4.564 9.215 1.794
140 HD2 LYS 17 HD2 LYS 17 5.992 10.902 2.686
141 HD3 LYS 17 HD3 LYS 17 6.460 9.369 3.482
142 HE2 LYS 17 HE2 LYS 17 8.505 9.230 2.074
143 HE3 LYS 17 HE3 LYS 17 7.930 10.573 1.037
144 HZ1 LYS 17 HZ1 LYS 17 9.638 11.266 2.631
145 HZ2 LYS 17 HZ2 LYS 17 8.621 10.787 3.971
146 HZ3 LYS 17 HZ3 LYS 17 8.135 12.103 2.920
147 H ARG 18 H ARG 18 4.640 4.834 1.310
148 HA ARG 18 HA ARG 18 6.965 3.303 0.561
149 HB2 ARG 18 HB2 ARG 18 4.287 2.384 1.735
150 HB3 ARG 18 HB3 ARG 18 5.690 1.333 1.445
151 HG2 ARG 18 HG2 ARG 18 6.553 3.734 2.940
152 HG3 ARG 18 HG3 ARG 18 5.187 2.951 3.755
153 HD2 ARG 18 HD2 ARG 18 7.345 2.132 4.585
154 HD3 ARG 18 HD3 ARG 18 6.376 0.807 3.844
155 HE ARG 18 HE ARG 18 8.120 1.801 1.839
156 HH11 ARG 18 HH12 ARG 18 8.364 0.094 4.989
157 HH12 ARG 18 HH11 ARG 18 9.788 -0.798 4.465
158 HH21 ARG 18 HH22 ARG 18 9.928 0.629 1.267
159 HH22 ARG 18 HH21 ARG 18 10.669 -0.490 2.413
160 H LEU 19 H LEU 19 7.249 2.999 -1.690
161 HA LEU 19 HA LEU 19 5.106 2.406 -3.499
162 HB2 LEU 19 HB2 LEU 19 8.083 1.645 -3.445
163 HB3 LEU 19 HB3 LEU 19 7.023 1.179 -4.785
164 HG LEU 19 HG LEU 19 7.039 4.123 -3.978
165 HD11 LEU 19 HD11 LEU 19 8.977 4.576 -5.478
166 HD12 LEU 19 HD12 LEU 19 9.258 2.815 -5.655
167 HD13 LEU 19 HD13 LEU 19 9.448 3.607 -4.057
168 HD21 LEU 19 HD21 LEU 19 6.873 2.685 -6.706
169 HD22 LEU 19 HD22 LEU 19 6.651 4.431 -6.424
170 HD23 LEU 19 HD23 LEU 19 5.468 3.267 -5.762
171 H LYS 20 H LYS 20 6.934 0.379 -1.088
172 HA LYS 20 HA LYS 20 5.687 -2.024 -2.305
173 HB2 LYS 20 HB2 LYS 20 7.923 -1.658 -0.263
174 HB3 LYS 20 HB3 LYS 20 7.243 -3.244 -0.736
175 HG2 LYS 20 HG2 LYS 20 7.859 -2.958 -3.062
176 HG3 LYS 20 HG3 LYS 20 8.292 -1.238 -2.825
177 HD2 LYS 20 HD2 LYS 20 10.216 -1.880 -1.365
178 HD3 LYS 20 HD3 LYS 20 9.793 -3.613 -1.510
179 HE2 LYS 20 HE2 LYS 20 10.166 -3.532 -3.984
180 HE3 LYS 20 HE3 LYS 20 10.534 -1.777 -3.881
181 HZ1 LYS 20 HZ1 LYS 20 12.094 -3.981 -2.536
182 HZ2 LYS 20 HZ2 LYS 20 12.456 -2.272 -2.479
183 HZ3 LYS 20 HZ3 LYS 20 12.558 -3.123 -4.010
184 H CYS 21 H CYS 21 4.543 -3.634 -0.941
185 HA CYS 21 HA CYS 21 2.713 -2.203 0.792
186 HB2 CYS 21 HB2 CYS 21 1.977 -4.167 -0.580
187 HB3 CYS 21 HB3 CYS 21 2.987 -5.241 0.435
188 H PHE 22 H PHE 22 2.905 -2.027 3.111
189 HA PHE 22 HA PHE 22 5.499 -2.889 4.154
190 HB2 PHE 22 HB2 PHE 22 4.515 -0.672 4.630
191 HB3 PHE 22 HB3 PHE 22 3.120 -1.426 5.444
192 HD1 PHE 22 HD1 PHE 22 6.913 -1.724 5.611
193 HD2 PHE 22 HD2 PHE 22 3.238 -1.319 7.816
194 HE1 PHE 22 HE1 PHE 22 8.177 -1.736 7.721
195 HE2 PHE 22 HE2 PHE 22 4.511 -1.331 9.924
196 HZ PHE 22 HZ PHE 22 6.983 -1.554 9.891
197 H ARG 23 H ARG 23 2.480 -4.545 3.886
198 HA ARG 23 HA ARG 23 2.943 -5.940 6.470
199 HB2 ARG 23 HB2 ARG 23 0.780 -4.728 5.798
200 HB3 ARG 23 HB3 ARG 23 0.462 -6.076 4.690
201 HG2 ARG 23 HG2 ARG 23 1.145 -7.349 7.163
202 HG3 ARG 23 HG3 ARG 23 0.252 -5.896 7.677
203 HD2 ARG 23 HD2 ARG 23 -1.466 -7.597 7.408
204 HD3 ARG 23 HD3 ARG 23 -1.573 -6.617 5.963
205 HE ARG 23 HE ARG 23 -0.778 -8.293 4.622
206 HH11 ARG 23 HH12 ARG 23 -0.088 -9.210 8.057
207 HH12 ARG 23 HH11 ARG 23 0.351 -10.840 7.579
208 HH21 ARG 23 HH22 ARG 23 -0.185 -10.393 4.159
209 HH22 ARG 23 HH21 ARG 23 0.313 -11.492 5.444
210 H CYS 24 H CYS 24 1.924 -6.768 2.969
211 HA CYS 24 HA CYS 24 3.059 -9.441 3.444
212 HB2 CYS 24 HB2 CYS 24 2.191 -10.080 1.325
213 HB3 CYS 24 HB3 CYS 24 0.920 -9.141 2.155
214 H GLY 25 H GLY 25 4.311 -6.314 2.249
215 HA2 GLY 25 HA2 GLY 25 6.578 -6.065 1.642
216 HA3 GLY 25 HA3 GLY 25 6.708 -7.792 1.290
217 H ALA 26 H ALA 26 4.553 -8.271 -0.443
218 HA ALA 26 HA ALA 26 5.719 -7.778 -2.821
219 HB1 ALA 26 HB1 ALA 26 3.695 -9.321 -2.369
220 HB2 ALA 26 HB2 ALA 26 2.658 -7.867 -2.554
221 HB3 ALA 26 HB3 ALA 26 3.666 -8.447 -3.908
222 H ASP 27 H ASP 27 5.350 -6.315 -4.692
223 HA ASP 27 HA ASP 27 5.002 -3.607 -3.747
224 HB2 ASP 27 HB2 ASP 27 6.683 -4.446 -5.507
225 HB3 ASP 27 HB3 ASP 27 5.318 -4.442 -6.658
226 H LYS 28 H LYS 28 3.634 -2.034 -5.228
227 HA LYS 28 HA LYS 28 0.871 -2.689 -4.895
228 HB2 LYS 28 HB2 LYS 28 2.263 -0.677 -6.756
229 HB3 LYS 28 HB3 LYS 28 0.508 -0.692 -6.440
230 HG2 LYS 28 HG2 LYS 28 0.708 0.029 -4.223
231 HG3 LYS 28 HG3 LYS 28 2.361 -0.589 -4.017
232 HD2 LYS 28 HD2 LYS 28 2.723 1.703 -4.006
233 HD3 LYS 28 HD3 LYS 28 3.087 1.281 -5.704
234 HE2 LYS 28 HE2 LYS 28 0.500 1.909 -6.100
235 HE3 LYS 28 HE3 LYS 28 0.632 2.653 -4.472
236 HZ1 LYS 28 HZ1 LYS 28 2.674 3.858 -5.397
237 HZ2 LYS 28 HZ2 LYS 28 1.132 4.364 -6.035
238 HZ3 LYS 28 HZ3 LYS 28 2.183 3.311 -6.977
239 H PHE 29 H PHE 29 3.197 -3.092 -7.672
240 HA PHE 29 HA PHE 29 0.912 -4.182 -9.286
241 HB2 PHE 29 HB2 PHE 29 2.651 -2.104 -9.817
242 HB3 PHE 29 HB3 PHE 29 3.525 -3.424 -10.600
243 HD1 PHE 29 HD2 PHE 29 1.559 -5.119 -11.871
244 HD2 PHE 29 HD1 PHE 29 1.349 -0.855 -11.291
245 HE1 PHE 29 HE2 PHE 29 0.002 -4.927 -13.773
246 HE2 PHE 29 HE1 PHE 29 -0.189 -0.674 -13.197
247 HZ PHE 29 HZ PHE 29 -0.874 -2.704 -14.449
248 H ASP 30 H ASP 30 1.944 -5.879 -7.249
249 HA ASP 30 HA ASP 30 4.000 -7.533 -8.621
250 HB2 ASP 30 HB2 ASP 30 3.326 -7.146 -5.856
251 HB3 ASP 30 HB3 ASP 30 2.903 -8.828 -6.251
252 HN1 NH2 31 HN1 NH2 31 1.790 -10.155 -9.699
253 HN2 NH2 31 HN2 NH2 31 3.430 -9.653 -9.550
254 H1 AQN 32 H1 AQN 2 2.337 1.881 6.274
255 H5 AQN 32 H5 AQN 2 -2.636 2.910 6.174
256 H6 AQN 32 H6 AQN 2 -4.794 2.908 7.390
257 H7 AQN 32 H7 AQN 2 -4.826 3.007 9.858
258 H8 AQN 32 H8 AQN 2 -2.720 2.820 11.132
259 H12 AQN 32 H12 AQN 2 2.309 2.168 11.210
260 H13 AQN 32 H13 AQN 2 4.451 1.950 10.008
Start of MODEL 20
1 H1 ACE 0 H1 ACE 0 -3.178 11.803 -7.767
2 H2 ACE 0 H2 ACE 0 -1.549 12.108 -7.133
3 H3 ACE 0 H3 ACE 0 -2.787 13.375 -7.017
4 H LYS 1 H LYS 1 -2.427 9.892 -6.150
5 HA LYS 1 HA LYS 1 -4.192 10.290 -3.836
6 HB2 LYS 1 HB2 LYS 1 -4.363 8.224 -5.042
7 HB3 LYS 1 HB3 LYS 1 -2.645 7.823 -4.779
8 HG2 LYS 1 HG2 LYS 1 -2.962 7.313 -2.477
9 HG3 LYS 1 HG3 LYS 1 -4.346 8.425 -2.312
10 HD2 LYS 1 HD2 LYS 1 -5.160 6.170 -2.089
11 HD3 LYS 1 HD3 LYS 1 -5.806 6.894 -3.578
12 HE2 LYS 1 HE2 LYS 1 -3.364 5.521 -4.350
13 HE3 LYS 1 HE3 LYS 1 -4.200 4.439 -3.207
14 HZ1 LYS 1 HZ1 LYS 1 -6.249 4.614 -4.545
15 HZ2 LYS 1 HZ2 LYS 1 -4.887 3.980 -5.458
16 HZ3 LYS 1 HZ3 LYS 1 -5.404 5.638 -5.687
17 H PHE 2 H PHE 2 -3.095 11.741 -2.381
18 HA PHE 2 HA PHE 2 -0.310 10.970 -1.557
19 HB2 PHE 2 HB2 PHE 2 -0.320 13.184 -0.362
20 HB3 PHE 2 HB3 PHE 2 -0.360 13.254 -2.133
21 HD1 PHE 2 HD1 PHE 2 -2.436 13.831 0.948
22 HD2 PHE 2 HD2 PHE 2 -2.191 14.244 -3.328
23 HE1 PHE 2 HE1 PHE 2 -4.587 15.025 0.938
24 HE2 PHE 2 HE2 PHE 2 -4.306 15.510 -3.319
25 HZ PHE 2 HZ PHE 2 -5.536 15.870 -1.193
26 H GLU 3 H GLU 3 -2.231 9.053 -0.876
27 HA GLU 3 HA GLU 3 -2.062 9.319 2.036
28 HB2 GLU 3 HB2 GLU 3 -4.556 9.813 0.513
29 HB3 GLU 3 HB3 GLU 3 -4.736 8.326 1.481
30 HG2 GLU 3 HG2 GLU 3 -3.944 9.621 3.533
31 HG3 GLU 3 HG3 GLU 3 -3.967 11.111 2.542
32 H ASP 4 H ASP 4 -3.038 7.237 3.032
33 HA ASP 4 HA ASP 4 -1.313 5.207 2.212
34 HB2 ASP 4 HB2 ASP 4 -4.008 4.927 3.646
35 HB3 ASP 4 HB3 ASP 4 -2.671 3.742 3.740
36 H TRP 5 H TRP 5 -2.031 2.876 1.440
37 HA TRP 5 HA TRP 5 -4.263 3.081 -0.543
38 HB2 TRP 5 HB2 TRP 5 -2.698 2.016 -2.238
39 HB3 TRP 5 HB3 TRP 5 -2.318 3.706 -1.803
40 HD1 TRP 5 HD1 TRP 5 -0.164 4.250 -0.580
41 HE1 TRP 5 HE1 TRP 5 2.010 3.017 -0.139
42 HE3 TRP 5 HE3 TRP 5 -1.739 -0.579 -1.505
43 HZ2 TRP 5 HZ2 TRP 5 3.027 0.453 -0.352
44 HZ3 TRP 5 HZ3 TRP 5 0.030 -2.383 -1.498
45 HH2 TRP 5 HH2 TRP 5 2.359 -1.832 -1.085
46 H LEU 6 H LEU 6 -5.050 1.007 -1.350
47 HA LEU 6 HA LEU 6 -4.736 -0.980 0.812
48 HB2 LEU 6 HB2 LEU 6 -7.028 -0.042 -0.418
49 HB3 LEU 6 HB3 LEU 6 -6.675 -1.471 -1.424
50 HG LEU 6 HG LEU 6 -6.439 -2.738 0.905
51 HD11 LEU 6 HD11 LEU 6 -6.484 -0.531 2.260
52 HD12 LEU 6 HD12 LEU 6 -7.667 -1.755 2.795
53 HD13 LEU 6 HD13 LEU 6 -8.196 -0.358 1.805
54 HD21 LEU 6 HD21 LEU 6 -8.301 -3.164 -0.661
55 HD22 LEU 6 HD22 LEU 6 -9.173 -1.700 -0.101
56 HD23 LEU 6 HD23 LEU 6 -8.927 -3.080 1.018
57 H CYS 7 H CYS 7 -3.630 -2.977 0.438
58 HA CYS 7 HA CYS 7 -2.088 -3.087 -2.005
59 HB2 CYS 7 HB2 CYS 7 -1.345 -4.010 0.231
60 HB3 CYS 7 HB3 CYS 7 -2.614 -5.268 0.097
61 H ASN 8 H ASN 8 -2.268 -4.742 -3.745
62 HA ASN 8 HA ASN 8 -5.136 -5.575 -4.084
63 HB2 ASN 8 HB2 ASN 8 -3.422 -4.119 -5.797
64 HB3 ASN 8 HB3 ASN 8 -3.366 -5.748 -6.473
65 HD21 ASN 8 HD21 ASN 8 -5.487 -2.942 -5.678
66 HD22 ASN 8 HD22 ASN 8 -6.825 -3.494 -6.615
67 H LYS 9 H LYS 9 -3.205 -6.943 -2.308
68 HA LYS 9 HA LYS 9 -3.161 -9.566 -3.689
69 HB2 LYS 9 HB2 LYS 9 -0.965 -7.973 -3.679
70 HB3 LYS 9 HB3 LYS 9 -0.715 -8.698 -2.074
71 HG2 LYS 9 HG2 LYS 9 -1.114 -10.252 -4.708
72 HG3 LYS 9 HG3 LYS 9 0.469 -9.842 -4.001
73 HD2 LYS 9 HD2 LYS 9 0.096 -11.203 -2.032
74 HD3 LYS 9 HD3 LYS 9 -1.607 -11.525 -2.475
75 HE2 LYS 9 HE2 LYS 9 -0.951 -12.795 -4.454
76 HE3 LYS 9 HE3 LYS 9 0.772 -12.351 -4.253
77 HZ1 LYS 9 HZ1 LYS 9 0.257 -14.626 -3.482
78 HZ2 LYS 9 HZ2 LYS 9 -0.818 -13.977 -2.264
79 HZ3 LYS 9 HZ3 LYS 9 0.897 -13.616 -2.208
80 H CYS 10 H CYS 10 -2.310 -7.957 -0.467
81 HA CYS 10 HA CYS 10 -4.061 -10.026 0.804
82 HB2 CYS 10 HB2 CYS 10 -2.789 -9.607 2.828
83 HB3 CYS 10 HB3 CYS 10 -1.646 -9.971 1.498
84 H CYS 11 H CYS 11 -4.574 -6.923 -0.375
85 HA CYS 11 HA CYS 11 -6.078 -5.333 0.201
86 HB2 CYS 11 HB2 CYS 11 -7.205 -7.804 0.460
87 HB3 CYS 11 HB3 CYS 11 -7.455 -7.226 2.130
88 HG CYS 11 HG CYS 11 -8.448 -5.919 -0.483
89 H LEU 12 H LEU 12 -3.639 -5.537 2.153
90 HA LEU 12 HA LEU 12 -4.938 -4.480 4.599
91 HB2 LEU 12 HB2 LEU 12 -3.315 -6.209 4.838
92 HB3 LEU 12 HB3 LEU 12 -2.073 -5.309 3.934
93 HG LEU 12 HG LEU 12 -1.869 -5.441 6.498
94 HD11 LEU 12 HD11 LEU 12 -0.380 -4.074 5.273
95 HD12 LEU 12 HD12 LEU 12 -0.944 -3.099 6.661
96 HD13 LEU 12 HD13 LEU 12 -1.590 -2.790 5.025
97 HD21 LEU 12 HD21 LEU 12 -3.826 -3.141 6.641
98 HD22 LEU 12 HD22 LEU 12 -2.993 -3.997 7.954
99 HD23 LEU 12 HD23 LEU 12 -4.259 -4.845 7.017
100 H ASN 13 H ASN 13 -5.014 -2.197 4.946
101 HA ASN 13 HA ASN 13 -4.118 -0.377 2.970
102 HB2 ASN 13 HB2 ASN 13 -5.966 0.035 4.622
103 HB3 ASN 13 HB3 ASN 13 -4.755 0.056 5.931
104 HD21 ASN 13 HD21 ASN 13 -5.105 2.286 6.535
105 HD22 ASN 13 HD22 ASN 13 -4.745 3.587 5.481
106 H ASN 14 H ASN 14 -1.956 0.499 2.622
107 HA ASN 14 HA ASN 14 -0.078 0.326 4.965
108 HB2 ASN 14 HB2 ASN 14 0.609 0.209 1.976
109 HB3 ASN 14 HB3 ASN 14 1.738 0.061 3.351
110 HD21 ASN 14 HD21 ASN 14 -0.966 -1.598 1.589
111 HD22 ASN 14 HD22 ASN 14 -0.786 -3.098 2.418
112 H PHE 15 H PHE 15 1.387 2.190 5.232
113 HA PHE 15 HA PHE 15 0.135 4.627 4.637
114 HB2 PHE 15 HB2 PHE 15 3.019 4.000 5.429
115 HB3 PHE 15 HB3 PHE 15 2.515 5.665 5.085
116 HD1 PHE 15 HD1 PHE 15 0.408 6.591 6.234
117 HD2 PHE 15 HD2 PHE 15 2.650 3.237 7.716
118 HE1 PHE 15 HE1 PHE 15 -0.687 6.836 8.434
119 HE2 PHE 15 HE2 PHE 15 1.619 3.547 9.947
120 HZ PHE 15 HZ PHE 15 -0.101 5.295 10.291
121 H ARG 16 H ARG 16 0.980 6.517 3.360
122 HA ARG 16 HA ARG 16 1.193 5.627 0.652
123 HB2 ARG 16 HB2 ARG 16 0.091 7.755 1.426
124 HB3 ARG 16 HB3 ARG 16 1.677 8.479 1.717
125 HG2 ARG 16 HG2 ARG 16 1.370 7.239 -1.033
126 HG3 ARG 16 HG3 ARG 16 0.238 8.555 -0.714
127 HD2 ARG 16 HD2 ARG 16 1.938 10.139 -0.270
128 HD3 ARG 16 HD3 ARG 16 3.253 8.966 -0.203
129 HE ARG 16 HE ARG 16 1.925 10.150 -2.561
130 HH11 ARG 16 HH12 ARG 16 3.762 7.221 -1.487
131 HH12 ARG 16 HH11 ARG 16 4.273 6.877 -3.131
132 HH21 ARG 16 HH22 ARG 16 2.614 9.576 -4.607
133 HH22 ARG 16 HH21 ARG 16 3.640 8.162 -4.852
134 H LYS 17 H LYS 17 3.471 7.196 2.961
135 HA LYS 17 HA LYS 17 5.729 7.413 1.301
136 HB2 LYS 17 HB2 LYS 17 5.437 6.610 4.259
137 HB3 LYS 17 HB3 LYS 17 7.030 6.869 3.502
138 HG2 LYS 17 HG2 LYS 17 6.670 9.172 3.094
139 HG3 LYS 17 HG3 LYS 17 4.899 9.059 3.273
140 HD2 LYS 17 HD2 LYS 17 5.085 8.631 5.687
141 HD3 LYS 17 HD3 LYS 17 6.875 8.636 5.594
142 HE2 LYS 17 HE2 LYS 17 6.878 11.013 4.910
143 HE3 LYS 17 HE3 LYS 17 5.091 11.032 4.799
144 HZ1 LYS 17 HZ1 LYS 17 6.659 10.541 7.335
145 HZ2 LYS 17 HZ2 LYS 17 4.915 10.646 7.186
146 HZ3 LYS 17 HZ3 LYS 17 5.906 12.049 6.865
147 H ARG 18 H ARG 18 4.399 4.494 3.020
148 HA ARG 18 HA ARG 18 6.612 2.806 2.292
149 HB2 ARG 18 HB2 ARG 18 3.708 2.113 2.889
150 HB3 ARG 18 HB3 ARG 18 5.005 0.928 2.664
151 HG2 ARG 18 HG2 ARG 18 5.173 3.117 4.844
152 HG3 ARG 18 HG3 ARG 18 4.354 1.557 5.056
153 HD2 ARG 18 HD2 ARG 18 6.514 1.254 5.986
154 HD3 ARG 18 HD3 ARG 18 6.543 0.412 4.402
155 HE ARG 18 HE ARG 18 7.563 3.166 4.314
156 HH11 ARG 18 HH12 ARG 18 8.444 -0.117 5.529
157 HH12 ARG 18 HH11 ARG 18 10.160 0.212 5.342
158 HH21 ARG 18 HH22 ARG 18 9.768 3.459 4.092
159 HH22 ARG 18 HH21 ARG 18 10.899 2.191 4.568
160 H LEU 19 H LEU 19 7.242 2.742 0.138
161 HA LEU 19 HA LEU 19 5.277 2.806 -1.992
162 HB2 LEU 19 HB2 LEU 19 7.118 2.102 -3.502
163 HB3 LEU 19 HB3 LEU 19 7.399 3.636 -2.661
164 HG LEU 19 HG LEU 19 8.569 1.265 -1.224
165 HD11 LEU 19 HD11 LEU 19 8.952 0.435 -3.505
166 HD12 LEU 19 HD12 LEU 19 10.488 1.002 -2.785
167 HD13 LEU 19 HD13 LEU 19 9.647 2.013 -3.998
168 HD21 LEU 19 HD21 LEU 19 9.064 3.805 -0.736
169 HD22 LEU 19 HD22 LEU 19 9.966 3.805 -2.269
170 HD23 LEU 19 HD23 LEU 19 10.478 2.736 -0.929
171 H LYS 20 H LYS 20 6.651 0.192 0.090
172 HA LYS 20 HA LYS 20 5.162 -1.706 -1.684
173 HB2 LYS 20 HB2 LYS 20 7.445 -2.392 0.227
174 HB3 LYS 20 HB3 LYS 20 6.602 -3.489 -0.899
175 HG2 LYS 20 HG2 LYS 20 7.420 -1.886 -2.806
176 HG3 LYS 20 HG3 LYS 20 8.511 -1.194 -1.571
177 HD2 LYS 20 HD2 LYS 20 9.395 -3.606 -1.154
178 HD3 LYS 20 HD3 LYS 20 8.361 -4.106 -2.526
179 HE2 LYS 20 HE2 LYS 20 10.474 -3.858 -3.521
180 HE3 LYS 20 HE3 LYS 20 9.655 -2.318 -3.929
181 HZ1 LYS 20 HZ1 LYS 20 11.688 -2.840 -1.750
182 HZ2 LYS 20 HZ2 LYS 20 10.873 -1.312 -1.952
183 HZ3 LYS 20 HZ3 LYS 20 11.923 -1.913 -3.215
184 H CYS 21 H CYS 21 4.233 -3.629 -0.524
185 HA CYS 21 HA CYS 21 2.487 -2.539 1.490
186 HB2 CYS 21 HB2 CYS 21 1.796 -4.318 -0.130
187 HB3 CYS 21 HB3 CYS 21 2.981 -5.441 0.614
188 H PHE 22 H PHE 22 2.374 -3.395 3.802
189 HA PHE 22 HA PHE 22 5.092 -4.185 4.801
190 HB2 PHE 22 HB2 PHE 22 4.171 -1.940 5.375
191 HB3 PHE 22 HB3 PHE 22 2.779 -2.707 6.182
192 HD1 PHE 22 HD2 PHE 22 6.582 -2.856 6.153
193 HD2 PHE 22 HD1 PHE 22 3.007 -2.998 8.550
194 HE1 PHE 22 HE2 PHE 22 7.949 -3.163 8.185
195 HE2 PHE 22 HE1 PHE 22 4.387 -3.189 10.584
196 HZ PHE 22 HZ PHE 22 6.858 -3.323 10.409
197 H ARG 23 H ARG 23 3.663 -6.125 3.597
198 HA ARG 23 HA ARG 23 3.333 -7.984 5.812
199 HB2 ARG 23 HB2 ARG 23 0.956 -6.900 4.332
200 HB3 ARG 23 HB3 ARG 23 1.070 -8.681 4.270
201 HG2 ARG 23 HG2 ARG 23 1.234 -8.771 6.778
202 HG3 ARG 23 HG3 ARG 23 1.015 -6.994 6.826
203 HD2 ARG 23 HD2 ARG 23 -1.232 -7.813 7.157
204 HD3 ARG 23 HD3 ARG 23 -1.139 -7.399 5.447
205 HE ARG 23 HE ARG 23 -1.447 -9.536 4.801
206 HH11 ARG 23 HH12 ARG 23 -0.479 -9.608 8.281
207 HH12 ARG 23 HH11 ARG 23 -0.931 -11.300 8.424
208 HH21 ARG 23 HH22 ARG 23 -1.976 -11.681 5.109
209 HH22 ARG 23 HH21 ARG 23 -1.742 -12.450 6.681
210 H CYS 24 H CYS 24 2.436 -7.712 2.263
211 HA CYS 24 HA CYS 24 4.108 -10.151 1.823
212 HB2 CYS 24 HB2 CYS 24 2.824 -10.427 -0.246
213 HB3 CYS 24 HB3 CYS 24 1.726 -10.272 1.160
214 H GLY 25 H GLY 25 4.789 -6.825 1.702
215 HA2 GLY 25 HA2 GLY 25 6.390 -5.677 0.536
216 HA3 GLY 25 HA3 GLY 25 7.059 -7.273 0.122
217 H ALA 26 H ALA 26 3.751 -6.799 -1.130
218 HA ALA 26 HA ALA 26 4.862 -6.790 -3.799
219 HB1 ALA 26 HB1 ALA 26 1.975 -6.328 -2.853
220 HB2 ALA 26 HB2 ALA 26 2.504 -6.630 -4.535
221 HB3 ALA 26 HB3 ALA 26 2.696 -7.909 -3.296
222 H ASP 27 H ASP 27 4.891 -4.911 -5.270
223 HA ASP 27 HA ASP 27 4.943 -2.355 -3.835
224 HB2 ASP 27 HB2 ASP 27 6.616 -3.010 -5.611
225 HB3 ASP 27 HB3 ASP 27 5.315 -2.844 -6.827
226 H LYS 28 H LYS 28 3.610 -0.431 -4.753
227 HA LYS 28 HA LYS 28 0.890 -0.917 -4.941
228 HB2 LYS 28 HB2 LYS 28 2.701 1.272 -6.065
229 HB3 LYS 28 HB3 LYS 28 1.076 1.183 -6.753
230 HG2 LYS 28 HG2 LYS 28 1.532 1.226 -3.729
231 HG3 LYS 28 HG3 LYS 28 1.354 2.711 -4.682
232 HD2 LYS 28 HD2 LYS 28 -0.831 0.783 -5.367
233 HD3 LYS 28 HD3 LYS 28 -0.757 1.074 -3.628
234 HE2 LYS 28 HE2 LYS 28 -2.308 2.627 -4.673
235 HE3 LYS 28 HE3 LYS 28 -0.929 3.541 -3.998
236 HZ1 LYS 28 HZ1 LYS 28 -1.708 4.265 -6.242
237 HZ2 LYS 28 HZ2 LYS 28 -1.212 2.735 -6.912
238 HZ3 LYS 28 HZ3 LYS 28 -0.027 3.843 -6.249
239 H PHE 29 H PHE 29 3.310 -1.165 -7.658
240 HA PHE 29 HA PHE 29 1.032 -2.016 -9.400
241 HB2 PHE 29 HB2 PHE 29 3.116 -0.276 -9.888
242 HB3 PHE 29 HB3 PHE 29 3.792 -1.763 -10.561
243 HD1 PHE 29 HD1 PHE 29 2.408 -2.955 -12.411
244 HD2 PHE 29 HD2 PHE 29 1.245 0.876 -10.828
245 HE1 PHE 29 HE1 PHE 29 0.960 -2.572 -14.377
246 HE2 PHE 29 HE2 PHE 29 -0.148 1.275 -12.821
247 HZ PHE 29 HZ PHE 29 -0.301 -0.447 -14.601
248 H ASP 30 H ASP 30 1.793 -3.801 -7.205
249 HA ASP 30 HA ASP 30 2.173 -5.973 -6.901
250 HB2 ASP 30 HB2 ASP 30 1.148 -5.961 -9.458
251 HB3 ASP 30 HB3 ASP 30 2.685 -6.835 -9.706
252 HN1 NH2 31 HN1 NH2 31 5.895 -5.579 -8.719
253 HN2 NH2 31 HN2 NH2 31 4.524 -5.096 -9.635
254 H1 AQN 32 H1 AQN 2 2.217 0.669 7.446
255 H5 AQN 32 H5 AQN 2 -2.574 2.180 7.686
256 H6 AQN 32 H6 AQN 2 -4.733 2.269 8.937
257 H7 AQN 32 H7 AQN 2 -4.754 1.803 11.371
258 H8 AQN 32 H8 AQN 2 -2.649 1.268 12.549
259 H12 AQN 32 H12 AQN 2 2.380 0.475 12.394
260 H13 AQN 32 H13 AQN 2 4.457 0.239 11.083
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