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 |
|
|
538899 |
2ley   |
17733 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 -3.094 8.944 1.770
2 H2 GLY 1 HT2 GLY 1 -3.521 8.567 3.367
3 H3 GLY 1 HT3 GLY 1 -2.376 7.623 2.556
4 HA2 GLY 1 HA1 GLY 1 -2.047 10.471 3.318
5 HA3 GLY 1 HA2 GLY 1 -1.300 9.104 4.135
6 H LEU 2 H LEU 2 0.817 9.738 3.713
7 HA LEU 2 HA LEU 2 1.657 9.329 0.935
8 HB2 LEU 2 HB2 LEU 2 1.490 11.787 1.469
9 HB3 LEU 2 HB1 LEU 2 2.731 11.547 2.682
10 HG LEU 2 HG LEU 2 4.289 10.811 0.891
11 HD11 LEU 2 HD11 LEU 2 3.414 10.168 -1.048
12 HD12 LEU 2 HD12 LEU 2 3.141 11.875 -1.400
13 HD13 LEU 2 HD13 LEU 2 1.859 10.908 -0.670
14 HD21 LEU 2 HD21 LEU 2 3.968 13.219 1.731
15 HD22 LEU 2 HD22 LEU 2 3.187 13.503 0.176
16 HD23 LEU 2 HD23 LEU 2 4.866 12.967 0.235
17 H LEU 3 H LEU 3 1.746 7.396 2.797
18 HA LEU 3 HA LEU 3 4.617 7.080 3.253
19 HB2 LEU 3 HB2 LEU 3 2.457 6.580 5.307
20 HB3 LEU 3 HB1 LEU 3 4.097 5.981 5.454
21 HG LEU 3 HG LEU 3 3.366 8.907 5.303
22 HD11 LEU 3 HD11 LEU 3 2.507 7.829 7.344
23 HD12 LEU 3 HD12 LEU 3 3.797 8.982 7.683
24 HD13 LEU 3 HD13 LEU 3 4.134 7.251 7.703
25 HD21 LEU 3 HD21 LEU 3 5.544 9.322 5.150
26 HD22 LEU 3 HD22 LEU 3 5.800 7.599 4.878
27 HD23 LEU 3 HD23 LEU 3 5.896 8.257 6.512
28 H CYS 4 H CYS 4 5.317 5.132 2.617
29 HA CYS 4 HA CYS 4 3.528 3.335 1.335
30 HB2 CYS 4 HB2 CYS 4 6.453 3.038 2.033
31 HB3 CYS 4 HB1 CYS 4 5.549 1.937 0.999
32 H TYR 5 H TYR 5 2.789 1.353 1.941
33 HA TYR 5 HA TYR 5 3.693 0.066 4.343
34 HB2 TYR 5 HB2 TYR 5 1.281 0.014 5.280
35 HB3 TYR 5 HB1 TYR 5 2.266 1.438 5.573
36 HD1 TYR 5 HD1 TYR 5 0.113 0.379 2.673
37 HD2 TYR 5 HD2 TYR 5 0.941 3.298 5.656
38 HE1 TYR 5 HE1 TYR 5 -1.670 1.810 1.765
39 HE2 TYR 5 HE2 TYR 5 -0.836 4.733 4.755
40 HH TYR 5 HH TYR 5 -2.981 3.627 2.182
41 H CYS 6 H CYS 6 2.739 -2.055 4.607
42 HA CYS 6 HA CYS 6 2.208 -3.228 2.043
43 HB2 CYS 6 HB2 CYS 6 2.332 -4.498 4.785
44 HB3 CYS 6 HB1 CYS 6 2.278 -5.369 3.254
45 H GLY 7 H GLY 7 0.305 -3.294 1.165
46 HA2 GLY 7 HA2 GLY 7 -2.118 -2.939 2.681
47 HA3 GLY 7 HA1 GLY 7 -1.986 -3.136 0.938
48 H LYS 8 H LYS 8 -3.761 -4.399 2.952
49 HA LYS 8 HA LYS 8 -2.959 -7.193 2.871
50 HB2 LYS 8 HB2 LYS 8 -5.414 -5.876 4.054
51 HB3 LYS 8 HB1 LYS 8 -4.989 -7.573 4.225
52 HG2 LYS 8 HG2 LYS 8 -2.988 -6.974 5.460
53 HG3 LYS 8 HG1 LYS 8 -3.347 -5.260 5.239
54 HD2 LYS 8 HD2 LYS 8 -5.164 -7.204 6.661
55 HD3 LYS 8 HD1 LYS 8 -3.990 -6.169 7.476
56 HE2 LYS 8 HE2 LYS 8 -6.251 -5.195 5.732
57 HE3 LYS 8 HE1 LYS 8 -6.275 -5.231 7.495
58 HZ1 LYS 8 HZ1 LYS 8 -5.166 -3.327 7.570
59 HZ2 LYS 8 HZ2 LYS 8 -5.351 -3.190 5.894
60 HZ3 LYS 8 HZ3 LYS 8 -3.954 -3.900 6.536
61 H GLY 9 H GLY 9 -3.412 -8.346 1.116
62 HA2 GLY 9 HA2 GLY 9 -4.715 -9.331 -0.520
63 HA3 GLY 9 HA1 GLY 9 -6.067 -8.339 0.000
64 H HIS 10 H HIS 10 -5.118 -5.789 -0.366
65 HA HIS 10 HA HIS 10 -3.810 -5.332 -2.821
66 HB2 HIS 10 HB2 HIS 10 -5.629 -4.720 -4.285
67 HB3 HIS 10 HB1 HIS 10 -5.908 -6.364 -3.727
68 HD1 HIS 10 HD1 HIS 10 -7.098 -2.821 -2.982
69 HD2 HIS 10 HD2 HIS 10 -8.365 -6.772 -2.628
70 HE1 HIS 10 HE1 HIS 10 -9.477 -2.703 -2.173
71 HE2 HIS 10 HE2 HIS 10 -10.170 -5.101 -1.830
72 H CYS 11 H CYS 11 -3.686 -3.081 -3.338
73 HA CYS 11 HA CYS 11 -4.006 -1.378 -1.036
74 HB2 CYS 11 HB2 CYS 11 -3.258 -0.441 -3.804
75 HB3 CYS 11 HB1 CYS 11 -2.796 0.253 -2.255
76 H LYS 12 H LYS 12 -5.100 0.769 -1.263
77 HA LYS 12 HA LYS 12 -7.583 0.440 -2.816
78 HB2 LYS 12 HB2 LYS 12 -8.281 2.413 -1.167
79 HB3 LYS 12 HB1 LYS 12 -8.427 0.721 -0.716
80 HG2 LYS 12 HG2 LYS 12 -6.647 0.811 0.732
81 HG3 LYS 12 HG1 LYS 12 -5.914 2.191 -0.088
82 HD2 LYS 12 HD2 LYS 12 -8.503 2.345 1.446
83 HD3 LYS 12 HD1 LYS 12 -6.924 2.693 2.157
84 HE2 LYS 12 HE2 LYS 12 -8.198 4.119 -0.177
85 HE3 LYS 12 HE1 LYS 12 -8.007 4.751 1.458
86 HZ1 LYS 12 HZ1 LYS 12 -6.158 4.771 -0.690
87 HZ2 LYS 12 HZ2 LYS 12 -5.481 3.961 0.644
88 HZ3 LYS 12 HZ3 LYS 12 -6.058 5.548 0.810
89 H ARG 13 H ARG 13 -8.584 2.630 -3.420
90 HA ARG 13 HA ARG 13 -7.090 3.830 -5.379
91 HB2 ARG 13 HB2 ARG 13 -9.359 5.054 -3.799
92 HB3 ARG 13 HB1 ARG 13 -8.744 5.681 -5.322
93 HG2 ARG 13 HG2 ARG 13 -9.382 3.589 -6.431
94 HG3 ARG 13 HG1 ARG 13 -10.027 2.988 -4.902
95 HD2 ARG 13 HD2 ARG 13 -11.829 3.842 -6.265
96 HD3 ARG 13 HD1 ARG 13 -11.608 4.877 -4.855
97 HE ARG 13 HE ARG 13 -10.106 5.944 -6.956
98 HH11 ARG 13 HH11 ARG 13 -13.460 5.408 -6.124
99 HH12 ARG 13 HH12 ARG 13 -14.043 6.756 -7.043
100 HH21 ARG 13 HH21 ARG 13 -10.866 7.731 -8.179
101 HH22 ARG 13 HH22 ARG 13 -12.563 8.080 -8.215
102 H GLY 14 H GLY 14 -5.662 5.443 -5.543
103 HA2 GLY 14 HA2 GLY 14 -4.642 7.485 -4.845
104 HA3 GLY 14 HA1 GLY 14 -5.123 7.120 -3.193
105 H GLU 15 H GLU 15 -4.224 4.301 -3.508
106 HA GLU 15 HA GLU 15 -1.408 4.807 -2.918
107 HB2 GLU 15 HB2 GLU 15 -3.083 2.326 -2.506
108 HB3 GLU 15 HB1 GLU 15 -1.451 2.581 -1.903
109 HG2 GLU 15 HG2 GLU 15 -2.135 4.130 -0.333
110 HG3 GLU 15 HG1 GLU 15 -3.645 4.464 -1.176
111 H ARG 16 H ARG 16 0.258 3.994 -4.072
112 HA ARG 16 HA ARG 16 -0.429 2.561 -6.543
113 HB2 ARG 16 HB2 ARG 16 1.996 4.202 -5.798
114 HB3 ARG 16 HB1 ARG 16 1.882 3.255 -7.275
115 HG2 ARG 16 HG2 ARG 16 0.095 5.551 -6.495
116 HG3 ARG 16 HG1 ARG 16 1.380 5.587 -7.703
117 HD2 ARG 16 HD2 ARG 16 0.171 3.841 -8.977
118 HD3 ARG 16 HD1 ARG 16 -1.137 3.929 -7.800
119 HE ARG 16 HE ARG 16 -0.636 6.499 -8.818
120 HH11 ARG 16 HH11 ARG 16 -1.965 3.424 -9.810
121 HH12 ARG 16 HH12 ARG 16 -3.013 4.109 -11.007
122 HH21 ARG 16 HH21 ARG 16 -2.018 7.421 -10.401
123 HH22 ARG 16 HH22 ARG 16 -3.043 6.392 -11.342
124 H VAL 17 H VAL 17 0.156 0.510 -6.791
125 HA VAL 17 HA VAL 17 1.407 -0.909 -4.659
126 HB VAL 17 HB VAL 17 -0.339 -1.982 -5.960
127 HG11 VAL 17 HG11 VAL 17 -0.460 -2.007 -8.186
128 HG12 VAL 17 HG21 VAL 17 1.211 -2.540 -8.357
129 HG13 VAL 17 3HG1 VAL 17 0.848 -0.826 -8.156
130 HG21 VAL 17 HG12 VAL 17 0.687 -3.841 -5.305
131 HG22 VAL 17 HG22 VAL 17 2.280 -3.129 -5.557
132 HG23 VAL 17 HG23 VAL 17 1.439 -3.904 -6.898
133 H ARG 18 H ARG 18 3.446 -1.707 -4.488
134 HA ARG 18 HA ARG 18 5.304 -1.266 -6.723
135 HB2 ARG 18 HB2 ARG 18 5.666 -0.361 -3.872
136 HB3 ARG 18 HB1 ARG 18 7.018 -0.560 -4.975
137 HG2 ARG 18 HG2 ARG 18 6.109 1.127 -6.449
138 HG3 ARG 18 HG1 ARG 18 4.678 1.282 -5.424
139 HD2 ARG 18 HD2 ARG 18 6.312 3.068 -5.008
140 HD3 ARG 18 HD1 ARG 18 6.044 2.065 -3.584
141 HE ARG 18 HE ARG 18 8.273 1.183 -5.143
142 HH11 ARG 18 HH11 ARG 18 7.244 3.421 -2.661
143 HH12 ARG 18 HH12 ARG 18 8.840 3.668 -2.035
144 HH21 ARG 18 HH21 ARG 18 10.390 1.497 -4.317
145 HH22 ARG 18 HH22 ARG 18 10.636 2.571 -2.981
146 H GLY 19 H GLY 19 4.090 -3.688 -5.945
147 HA2 GLY 19 HA2 GLY 19 5.276 -5.795 -6.146
148 HA3 GLY 19 HA1 GLY 19 6.475 -5.159 -5.030
149 H THR 20 H THR 20 6.286 -6.853 -3.588
150 HA THR 20 HA THR 20 3.839 -6.836 -1.963
151 HB THR 20 HB THR 20 4.258 -9.352 -1.645
152 HG1 THR 20 HG1 THR 20 6.318 -9.352 -2.721
153 HG21 THR 20 HG12 THR 20 2.405 -9.447 -2.877
154 HG22 THR 20 HG22 THR 20 3.392 -9.427 -4.337
155 HG23 THR 20 HG23 THR 20 2.810 -7.913 -3.645
156 H CYS 21 H CYS 21 4.190 -7.592 0.259
157 HA CYS 21 HA CYS 21 6.932 -7.906 1.136
158 HB2 CYS 21 HB2 CYS 21 6.592 -6.003 2.838
159 HB3 CYS 21 HB1 CYS 21 7.043 -5.583 1.192
160 H GLY 22 H GLY 22 4.942 -9.721 1.287
161 HA2 GLY 22 HA2 GLY 22 5.005 -10.781 3.748
162 HA3 GLY 22 HA1 GLY 22 3.697 -9.614 3.901
163 H ILE 23 H ILE 23 3.193 -12.307 4.267
164 HA ILE 23 HA ILE 23 2.351 -13.609 1.904
165 HB ILE 23 HB ILE 23 0.884 -14.971 3.449
166 HG12 ILE 23 HG21 ILE 23 2.329 -13.381 5.585
167 HG13 ILE 23 HG11 ILE 23 0.618 -13.235 5.204
168 HG21 ILE 23 HG12 ILE 23 2.660 -16.316 4.086
169 HG22 ILE 23 HG22 ILE 23 3.707 -14.941 4.438
170 HG23 ILE 23 HG23 ILE 23 3.346 -15.369 2.765
171 HD11 ILE 23 HD11 ILE 23 0.158 -14.873 6.610
172 HD12 ILE 23 HD12 ILE 23 1.871 -15.000 7.010
173 HD13 ILE 23 HD13 ILE 23 1.196 -15.972 5.702
174 H ARG 24 H ARG 24 0.907 -12.866 0.584
175 HA ARG 24 HA ARG 24 -0.994 -12.024 -0.313
176 HB2 ARG 24 HB2 ARG 24 -2.081 -12.410 2.480
177 HB3 ARG 24 HB1 ARG 24 -3.053 -11.870 1.118
178 HG2 ARG 24 HG2 ARG 24 -1.623 -14.510 1.350
179 HG3 ARG 24 HG1 ARG 24 -3.359 -14.239 1.499
180 HD2 ARG 24 HD2 ARG 24 -1.680 -13.767 -0.963
181 HD3 ARG 24 HD1 ARG 24 -2.801 -15.102 -0.709
182 HE ARG 24 HE ARG 24 -3.440 -12.476 -1.591
183 HH11 ARG 24 HH11 ARG 24 -4.703 -15.144 0.296
184 HH12 ARG 24 HH12 ARG 24 -6.359 -14.697 0.063
185 HH21 ARG 24 HH21 ARG 24 -5.626 -11.883 -1.906
186 HH22 ARG 24 HH22 ARG 24 -6.886 -12.835 -1.194
187 H PHE 25 H PHE 25 1.094 -10.414 1.209
188 HA PHE 25 HA PHE 25 -0.462 -7.922 1.433
189 HB2 PHE 25 HB2 PHE 25 2.041 -8.787 2.869
190 HB3 PHE 25 HB1 PHE 25 1.599 -7.092 2.711
191 HD1 PHE 25 HD1 PHE 25 -0.712 -9.937 3.314
192 HD2 PHE 25 HD2 PHE 25 1.227 -6.515 4.932
193 HE1 PHE 25 HE1 PHE 25 -2.098 -10.115 5.336
194 HE2 PHE 25 HE2 PHE 25 -0.156 -6.686 6.958
195 HZ PHE 25 HZ PHE 25 -1.820 -8.488 7.163
196 H LEU 26 H LEU 26 0.131 -6.235 0.229
197 HA LEU 26 HA LEU 26 2.504 -6.576 -1.481
198 HB2 LEU 26 HB2 LEU 26 1.363 -5.474 -3.310
199 HB3 LEU 26 HB1 LEU 26 0.483 -6.899 -2.807
200 HG LEU 26 HG LEU 26 -0.301 -4.100 -1.992
201 HD11 LEU 26 HD11 LEU 26 -1.431 -3.814 -3.904
202 HD12 LEU 26 HD12 LEU 26 -1.955 -5.497 -3.957
203 HD13 LEU 26 HD13 LEU 26 -0.356 -5.051 -4.554
204 HD21 LEU 26 HD21 LEU 26 -2.362 -5.064 -1.324
205 HD22 LEU 26 HD22 LEU 26 -1.092 -6.069 -0.623
206 HD23 LEU 26 HD23 LEU 26 -1.955 -6.613 -2.062
207 H TYR 27 H TYR 27 3.544 -4.608 -2.171
208 HA TYR 27 HA TYR 27 3.663 -2.709 -0.012
209 HB2 TYR 27 HB2 TYR 27 5.589 -3.637 -1.500
210 HB3 TYR 27 HB1 TYR 27 5.076 -2.408 -2.649
211 HD1 TYR 27 HD2 TYR 27 5.171 -2.108 1.055
212 HD2 TYR 27 HD1 TYR 27 6.920 -0.967 -2.650
213 HE1 TYR 27 HE2 TYR 27 6.568 -0.458 2.227
214 HE2 TYR 27 HE1 TYR 27 8.322 0.684 -1.489
215 HH TYR 27 HH TYR 27 8.646 0.754 1.909
216 H CYS 28 H CYS 28 2.423 -0.932 0.136
217 HA CYS 28 HA CYS 28 1.325 0.182 -2.364
218 HB2 CYS 28 HB2 CYS 28 0.014 0.253 0.362
219 HB3 CYS 28 HB1 CYS 28 -0.688 0.777 -1.165
220 H CYS 29 H CYS 29 1.783 2.245 -2.759
221 HA CYS 29 HA CYS 29 2.683 3.927 -0.514
222 HB2 CYS 29 HB2 CYS 29 3.784 3.872 -3.332
223 HB3 CYS 29 HB1 CYS 29 4.207 5.073 -2.116
224 HA PRO 30 HA PRO 30 -0.883 6.066 -2.305
225 HB2 PRO 30 HB2 PRO 30 -1.619 7.314 -0.042
226 HB3 PRO 30 HB1 PRO 30 -1.986 5.611 -0.342
227 HG2 PRO 30 HG2 PRO 30 0.200 6.818 1.310
228 HG3 PRO 30 HG1 PRO 30 -0.843 5.431 1.676
229 HD2 PRO 30 HD2 PRO 30 1.708 5.189 0.734
230 HD3 PRO 30 HD1 PRO 30 0.438 3.985 0.441
231 H ARG 31 H ARG 31 -1.214 8.142 -2.941
232 HA ARG 31 HA ARG 31 0.824 10.117 -2.145
233 HB2 ARG 31 HB2 ARG 31 0.691 11.065 -4.419
234 HB3 ARG 31 HB1 ARG 31 1.271 9.407 -4.429
235 HG2 ARG 31 HG2 ARG 31 -0.821 8.595 -5.217
236 HG3 ARG 31 HG1 ARG 31 -1.585 10.166 -4.976
237 HD2 ARG 31 HD2 ARG 31 0.699 9.689 -6.883
238 HD3 ARG 31 HD1 ARG 31 -0.996 9.611 -7.355
239 HE ARG 31 HE ARG 31 -1.150 11.920 -7.157
240 HH11 ARG 31 HH11 ARG 31 2.046 10.828 -6.226
241 HH12 ARG 31 HH12 ARG 31 2.715 12.424 -6.164
242 HH21 ARG 31 HH21 ARG 31 -0.270 14.029 -7.078
243 HH22 ARG 31 HH22 ARG 31 1.394 14.248 -6.651
244 H ARG 32 H ARG 32 -1.720 9.603 -0.987
245 HA ARG 32 HA ARG 32 -2.752 12.229 -0.840
246 HB2 ARG 32 HB2 ARG 32 -3.829 11.622 -2.955
247 HB3 ARG 32 HB1 ARG 32 -4.475 10.160 -2.228
248 HG2 ARG 32 HG2 ARG 32 -6.186 11.872 -2.425
249 HG3 ARG 32 HG1 ARG 32 -5.860 11.500 -0.733
250 HD2 ARG 32 HD2 ARG 32 -4.558 13.810 -2.153
251 HD3 ARG 32 HD1 ARG 32 -6.123 13.957 -1.353
252 HE ARG 32 HE ARG 32 -4.341 12.828 0.479
253 HH11 ARG 32 HH11 ARG 32 -4.756 15.855 -1.239
254 HH12 ARG 32 HH12 ARG 32 -3.992 16.805 -0.010
255 HH21 ARG 32 HH21 ARG 32 -3.342 14.062 2.091
256 HH22 ARG 32 HH22 ARG 32 -3.182 15.777 1.902
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 2.669 9.766 -1.053
2 H2 GLY 1 HT2 GLY 1 2.163 10.901 -2.197
3 H3 GLY 1 HT3 GLY 1 1.845 11.165 -0.551
4 HA2 GLY 1 HA1 GLY 1 4.104 11.909 -2.063
5 HA3 GLY 1 HA2 GLY 1 3.725 12.292 -0.389
6 H LEU 2 H LEU 2 5.699 11.982 0.530
7 HA LEU 2 HA LEU 2 7.302 9.668 -0.053
8 HB2 LEU 2 HB2 LEU 2 7.585 11.779 2.088
9 HB3 LEU 2 HB1 LEU 2 8.778 10.546 1.730
10 HG LEU 2 HG LEU 2 7.899 12.731 -0.161
11 HD11 LEU 2 HD11 LEU 2 9.206 13.828 1.392
12 HD12 LEU 2 HD12 LEU 2 10.399 13.331 0.193
13 HD13 LEU 2 HD13 LEU 2 10.222 12.419 1.692
14 HD21 LEU 2 HD21 LEU 2 9.621 11.949 -1.634
15 HD22 LEU 2 HD22 LEU 2 8.557 10.595 -1.253
16 HD23 LEU 2 HD23 LEU 2 10.130 10.728 -0.468
17 H LEU 3 H LEU 3 5.236 8.381 0.527
18 HA LEU 3 HA LEU 3 5.690 7.234 3.155
19 HB2 LEU 3 HB2 LEU 3 4.001 8.950 3.592
20 HB3 LEU 3 HB1 LEU 3 2.996 8.310 2.306
21 HG LEU 3 HG LEU 3 2.786 6.184 3.601
22 HD11 LEU 3 HD11 LEU 3 4.539 7.706 5.452
23 HD12 LEU 3 HD12 LEU 3 4.510 5.984 5.074
24 HD13 LEU 3 HD13 LEU 3 3.292 6.670 6.149
25 HD21 LEU 3 HD21 LEU 3 1.672 8.791 4.280
26 HD22 LEU 3 HD22 LEU 3 1.581 7.624 5.600
27 HD23 LEU 3 HD23 LEU 3 0.867 7.241 4.032
28 H CYS 4 H CYS 4 5.369 5.095 3.158
29 HA CYS 4 HA CYS 4 3.751 3.819 1.103
30 HB2 CYS 4 HB2 CYS 4 6.693 3.232 1.520
31 HB3 CYS 4 HB1 CYS 4 5.601 2.187 0.622
32 H TYR 5 H TYR 5 2.948 1.808 1.768
33 HA TYR 5 HA TYR 5 3.924 0.579 4.182
34 HB2 TYR 5 HB2 TYR 5 1.695 0.748 5.354
35 HB3 TYR 5 HB1 TYR 5 2.610 2.246 5.274
36 HD1 TYR 5 HD1 TYR 5 0.011 0.429 3.283
37 HD2 TYR 5 HD2 TYR 5 1.448 4.159 4.737
38 HE1 TYR 5 HE1 TYR 5 -1.923 1.557 2.282
39 HE2 TYR 5 HE2 TYR 5 -0.488 5.299 3.738
40 HH TYR 5 HH TYR 5 -2.287 4.154 1.413
41 H CYS 6 H CYS 6 2.592 -1.375 4.735
42 HA CYS 6 HA CYS 6 2.029 -2.768 2.279
43 HB2 CYS 6 HB2 CYS 6 1.985 -3.727 5.142
44 HB3 CYS 6 HB1 CYS 6 1.859 -4.756 3.718
45 H GLY 7 H GLY 7 0.133 -2.880 1.376
46 HA2 GLY 7 HA2 GLY 7 -2.290 -2.218 2.829
47 HA3 GLY 7 HA1 GLY 7 -2.145 -2.506 1.097
48 H LYS 8 H LYS 8 -3.971 -3.605 3.206
49 HA LYS 8 HA LYS 8 -3.289 -6.390 3.409
50 HB2 LYS 8 HB2 LYS 8 -4.527 -5.268 5.209
51 HB3 LYS 8 HB1 LYS 8 -5.845 -4.924 4.099
52 HG2 LYS 8 HG2 LYS 8 -6.463 -6.787 5.459
53 HG3 LYS 8 HG1 LYS 8 -6.177 -7.370 3.819
54 HD2 LYS 8 HD2 LYS 8 -5.178 -8.920 5.349
55 HD3 LYS 8 HD1 LYS 8 -3.883 -8.043 4.533
56 HE2 LYS 8 HE2 LYS 8 -3.382 -8.235 6.891
57 HE3 LYS 8 HE1 LYS 8 -3.702 -6.549 6.486
58 HZ1 LYS 8 HZ1 LYS 8 -5.102 -8.291 8.280
59 HZ2 LYS 8 HZ2 LYS 8 -6.141 -7.510 7.198
60 HZ3 LYS 8 HZ3 LYS 8 -5.114 -6.601 8.187
61 H GLY 9 H GLY 9 -3.419 -7.634 1.674
62 HA2 GLY 9 HA2 GLY 9 -4.431 -8.820 -0.017
63 HA3 GLY 9 HA1 GLY 9 -5.919 -7.954 0.319
64 H HIS 10 H HIS 10 -5.001 -5.306 -0.133
65 HA HIS 10 HA HIS 10 -3.712 -5.068 -2.658
66 HB2 HIS 10 HB2 HIS 10 -5.572 -4.511 -4.081
67 HB3 HIS 10 HB1 HIS 10 -5.901 -6.084 -3.367
68 HD1 HIS 10 HD1 HIS 10 -7.331 -5.582 -0.858
69 HD2 HIS 10 HD2 HIS 10 -7.859 -3.099 -4.150
70 HE1 HIS 10 HE1 HIS 10 -9.550 -4.459 -0.505
71 HE2 HIS 10 HE2 HIS 10 -9.776 -2.854 -2.433
72 H CYS 11 H CYS 11 -3.731 -2.854 -3.453
73 HA CYS 11 HA CYS 11 -3.705 -0.968 -1.285
74 HB2 CYS 11 HB2 CYS 11 -3.256 -0.407 -4.218
75 HB3 CYS 11 HB1 CYS 11 -2.710 0.546 -2.847
76 H LYS 12 H LYS 12 -4.733 1.176 -1.510
77 HA LYS 12 HA LYS 12 -7.539 0.864 -2.153
78 HB2 LYS 12 HB2 LYS 12 -6.152 3.349 -1.146
79 HB3 LYS 12 HB1 LYS 12 -7.858 2.943 -1.019
80 HG2 LYS 12 HG2 LYS 12 -7.430 1.260 0.589
81 HG3 LYS 12 HG1 LYS 12 -5.690 1.344 0.308
82 HD2 LYS 12 HD2 LYS 12 -6.010 3.848 1.013
83 HD3 LYS 12 HD1 LYS 12 -7.471 3.225 1.788
84 HE2 LYS 12 HE2 LYS 12 -5.623 3.227 3.359
85 HE3 LYS 12 HE1 LYS 12 -6.108 1.573 2.990
86 HZ1 LYS 12 HZ1 LYS 12 -4.205 2.023 1.135
87 HZ2 LYS 12 HZ2 LYS 12 -3.928 1.283 2.634
88 HZ3 LYS 12 HZ3 LYS 12 -3.615 2.935 2.440
89 H ARG 13 H ARG 13 -8.725 2.280 -3.498
90 HA ARG 13 HA ARG 13 -7.532 2.843 -5.998
91 HB2 ARG 13 HB2 ARG 13 -9.745 3.906 -6.530
92 HB3 ARG 13 HB1 ARG 13 -9.845 2.248 -5.956
93 HG2 ARG 13 HG2 ARG 13 -10.527 3.010 -3.763
94 HG3 ARG 13 HG1 ARG 13 -10.327 4.692 -4.259
95 HD2 ARG 13 HD2 ARG 13 -12.072 4.368 -5.968
96 HD3 ARG 13 HD1 ARG 13 -12.295 2.712 -5.404
97 HE ARG 13 HE ARG 13 -12.592 4.452 -3.226
98 HH11 ARG 13 HH11 ARG 13 -14.228 3.606 -6.198
99 HH12 ARG 13 HH12 ARG 13 -15.804 4.009 -5.603
100 HH21 ARG 13 HH21 ARG 13 -14.672 4.994 -2.427
101 HH22 ARG 13 HH22 ARG 13 -16.057 4.804 -3.451
102 H GLY 14 H GLY 14 -5.779 4.174 -5.174
103 HA2 GLY 14 HA2 GLY 14 -6.036 6.870 -5.820
104 HA3 GLY 14 HA1 GLY 14 -6.168 6.746 -4.067
105 H GLU 15 H GLU 15 -4.457 4.378 -3.982
106 HA GLU 15 HA GLU 15 -1.887 5.764 -4.251
107 HB2 GLU 15 HB2 GLU 15 -1.085 3.889 -2.724
108 HB3 GLU 15 HB1 GLU 15 -2.164 5.080 -2.025
109 HG2 GLU 15 HG2 GLU 15 -4.045 3.465 -2.505
110 HG3 GLU 15 HG1 GLU 15 -2.796 2.276 -2.862
111 H ARG 16 H ARG 16 -0.014 4.388 -4.866
112 HA ARG 16 HA ARG 16 -0.858 2.541 -6.999
113 HB2 ARG 16 HB2 ARG 16 0.232 4.458 -7.943
114 HB3 ARG 16 HB1 ARG 16 1.573 4.323 -6.812
115 HG2 ARG 16 HG2 ARG 16 2.377 2.356 -7.868
116 HG3 ARG 16 HG1 ARG 16 0.915 2.204 -8.840
117 HD2 ARG 16 HD2 ARG 16 2.801 4.540 -9.037
118 HD3 ARG 16 HD1 ARG 16 2.937 3.099 -10.042
119 HE ARG 16 HE ARG 16 0.317 4.187 -10.170
120 HH11 ARG 16 HH11 ARG 16 3.577 4.673 -11.330
121 HH12 ARG 16 HH12 ARG 16 3.087 5.476 -12.786
122 HH21 ARG 16 HH21 ARG 16 -0.352 5.250 -12.091
123 HH22 ARG 16 HH22 ARG 16 0.839 5.805 -13.221
124 H VAL 17 H VAL 17 0.073 0.577 -7.227
125 HA VAL 17 HA VAL 17 1.098 -0.688 -4.928
126 HB VAL 17 HB VAL 17 1.512 -2.636 -6.406
127 HG11 VAL 17 HG11 VAL 17 -0.717 -3.180 -6.659
128 HG12 VAL 17 HG21 VAL 17 -1.167 -1.552 -7.163
129 HG13 VAL 17 3HG1 VAL 17 -0.792 -1.881 -5.471
130 HG21 VAL 17 HG12 VAL 17 1.380 -0.598 -8.462
131 HG22 VAL 17 HG22 VAL 17 0.281 -1.936 -8.795
132 HG23 VAL 17 HG23 VAL 17 1.999 -2.247 -8.548
133 H ARG 18 H ARG 18 3.125 -1.198 -4.324
134 HA ARG 18 HA ARG 18 5.316 -0.078 -5.944
135 HB2 ARG 18 HB2 ARG 18 4.864 0.973 -3.695
136 HB3 ARG 18 HB1 ARG 18 5.313 -0.559 -2.961
137 HG2 ARG 18 HG2 ARG 18 7.176 0.949 -2.870
138 HG3 ARG 18 HG1 ARG 18 7.545 -0.362 -3.993
139 HD2 ARG 18 HD2 ARG 18 7.072 1.054 -5.880
140 HD3 ARG 18 HD1 ARG 18 6.510 2.347 -4.821
141 HE ARG 18 HE ARG 18 9.202 1.771 -5.542
142 HH11 ARG 18 HH11 ARG 18 7.211 3.047 -2.952
143 HH12 ARG 18 HH12 ARG 18 8.503 3.944 -2.229
144 HH21 ARG 18 HH21 ARG 18 10.913 2.963 -4.585
145 HH22 ARG 18 HH22 ARG 18 10.611 3.898 -3.158
146 H GLY 19 H GLY 19 4.124 -2.823 -4.164
147 HA2 GLY 19 HA2 GLY 19 5.471 -4.753 -5.598
148 HA3 GLY 19 HA1 GLY 19 6.516 -4.366 -4.237
149 H THR 20 H THR 20 6.297 -6.298 -3.162
150 HA THR 20 HA THR 20 3.657 -6.758 -1.960
151 HB THR 20 HB THR 20 4.290 -9.246 -1.991
152 HG1 THR 20 HG1 THR 20 6.446 -8.984 -2.713
153 HG21 THR 20 HG12 THR 20 3.127 -7.572 -4.077
154 HG22 THR 20 HG22 THR 20 2.549 -9.092 -3.396
155 HG23 THR 20 HG23 THR 20 3.747 -9.105 -4.689
156 H CYS 21 H CYS 21 3.682 -7.320 0.186
157 HA CYS 21 HA CYS 21 6.277 -7.042 1.512
158 HB2 CYS 21 HB2 CYS 21 3.475 -6.963 2.644
159 HB3 CYS 21 HB1 CYS 21 4.948 -6.727 3.579
160 H GLY 22 H GLY 22 3.548 -9.257 1.238
161 HA2 GLY 22 HA2 GLY 22 5.056 -11.561 1.568
162 HA3 GLY 22 HA1 GLY 22 4.467 -11.118 3.165
163 H ILE 23 H ILE 23 3.174 -12.956 3.312
164 HA ILE 23 HA ILE 23 1.331 -13.785 1.381
165 HB ILE 23 HB ILE 23 0.152 -14.922 3.304
166 HG12 ILE 23 HG21 ILE 23 2.503 -13.831 4.873
167 HG13 ILE 23 HG11 ILE 23 0.835 -13.303 5.059
168 HG21 ILE 23 HG12 ILE 23 2.423 -16.248 3.826
169 HG22 ILE 23 HG22 ILE 23 2.938 -15.325 2.414
170 HG23 ILE 23 HG23 ILE 23 1.541 -16.397 2.305
171 HD11 ILE 23 HD11 ILE 23 2.190 -15.523 6.259
172 HD12 ILE 23 HD12 ILE 23 0.781 -16.080 5.358
173 HD13 ILE 23 HD13 ILE 23 0.596 -14.856 6.613
174 H ARG 24 H ARG 24 -0.268 -12.709 0.595
175 HA ARG 24 HA ARG 24 -2.113 -11.434 0.324
176 HB2 ARG 24 HB2 ARG 24 -2.861 -12.989 2.215
177 HB3 ARG 24 HB1 ARG 24 -2.577 -11.634 3.293
178 HG2 ARG 24 HG2 ARG 24 -4.908 -11.736 2.760
179 HG3 ARG 24 HG1 ARG 24 -4.213 -10.308 1.994
180 HD2 ARG 24 HD2 ARG 24 -4.445 -12.885 0.485
181 HD3 ARG 24 HD1 ARG 24 -5.838 -11.817 0.647
182 HE ARG 24 HE ARG 24 -3.703 -10.269 -0.247
183 HH11 ARG 24 HH11 ARG 24 -5.611 -12.966 -1.393
184 HH12 ARG 24 HH12 ARG 24 -5.487 -12.519 -3.062
185 HH21 ARG 24 HH21 ARG 24 -3.551 -9.651 -2.457
186 HH22 ARG 24 HH22 ARG 24 -4.306 -10.634 -3.668
187 H PHE 25 H PHE 25 0.548 -10.226 1.272
188 HA PHE 25 HA PHE 25 -0.599 -7.603 1.989
189 HB2 PHE 25 HB2 PHE 25 1.939 -8.867 2.986
190 HB3 PHE 25 HB1 PHE 25 1.744 -7.118 2.930
191 HD1 PHE 25 HD2 PHE 25 -0.386 -9.991 4.040
192 HD2 PHE 25 HD1 PHE 25 1.315 -6.204 4.960
193 HE1 PHE 25 HE2 PHE 25 -1.479 -10.040 6.242
194 HE2 PHE 25 HE1 PHE 25 0.228 -6.245 7.165
195 HZ PHE 25 HZ PHE 25 -1.173 -8.165 7.808
196 H LEU 26 H LEU 26 -0.052 -5.930 0.771
197 HA LEU 26 HA LEU 26 2.058 -6.326 -1.256
198 HB2 LEU 26 HB2 LEU 26 -0.704 -5.192 -1.605
199 HB3 LEU 26 HB1 LEU 26 0.596 -4.746 -2.689
200 HG LEU 26 HG LEU 26 0.871 -7.265 -3.109
201 HD11 LEU 26 HD11 LEU 26 -0.875 -8.722 -2.614
202 HD12 LEU 26 HD12 LEU 26 -1.986 -7.410 -2.220
203 HD13 LEU 26 HD13 LEU 26 -0.661 -7.803 -1.124
204 HD21 LEU 26 HD21 LEU 26 -1.751 -6.552 -4.190
205 HD22 LEU 26 HD22 LEU 26 -0.239 -6.926 -5.020
206 HD23 LEU 26 HD23 LEU 26 -0.522 -5.303 -4.388
207 H TYR 27 H TYR 27 3.322 -4.531 -1.740
208 HA TYR 27 HA TYR 27 3.345 -2.492 0.319
209 HB2 TYR 27 HB2 TYR 27 5.374 -3.672 -0.887
210 HB3 TYR 27 HB1 TYR 27 5.117 -2.425 -2.103
211 HD1 TYR 27 HD1 TYR 27 4.633 -1.963 1.535
212 HD2 TYR 27 HD2 TYR 27 7.152 -1.239 -1.815
213 HE1 TYR 27 HE1 TYR 27 5.971 -0.404 2.884
214 HE2 TYR 27 HE2 TYR 27 8.494 0.325 -0.476
215 HH TYR 27 HH TYR 27 8.128 0.606 2.938
216 H CYS 28 H CYS 28 2.396 -0.514 0.116
217 HA CYS 28 HA CYS 28 1.605 0.341 -2.595
218 HB2 CYS 28 HB2 CYS 28 -0.057 0.725 -0.101
219 HB3 CYS 28 HB1 CYS 28 -0.527 1.081 -1.758
220 H CYS 29 H CYS 29 1.603 2.554 -3.010
221 HA CYS 29 HA CYS 29 2.540 4.325 -0.863
222 HB2 CYS 29 HB2 CYS 29 3.734 4.283 -3.646
223 HB3 CYS 29 HB1 CYS 29 4.191 5.356 -2.330
224 HA PRO 30 HA PRO 30 -0.947 6.498 -2.688
225 HB2 PRO 30 HB2 PRO 30 -0.414 8.490 -0.605
226 HB3 PRO 30 HB1 PRO 30 -1.842 7.483 -0.852
227 HG2 PRO 30 HG2 PRO 30 -0.143 7.088 1.205
228 HG3 PRO 30 HG1 PRO 30 -1.012 5.756 0.421
229 HD2 PRO 30 HD2 PRO 30 1.830 6.633 0.069
230 HD3 PRO 30 HD1 PRO 30 1.162 4.989 0.175
231 H ARG 31 H ARG 31 -1.160 8.215 -4.060
232 HA ARG 31 HA ARG 31 1.074 9.345 -5.263
233 HB2 ARG 31 HB2 ARG 31 -0.922 9.359 -6.515
234 HB3 ARG 31 HB1 ARG 31 -1.828 10.142 -5.230
235 HG2 ARG 31 HG2 ARG 31 -1.447 11.673 -7.067
236 HG3 ARG 31 HG1 ARG 31 -0.597 12.219 -5.623
237 HD2 ARG 31 HD2 ARG 31 0.917 12.524 -7.396
238 HD3 ARG 31 HD1 ARG 31 1.453 11.064 -6.569
239 HE ARG 31 HE ARG 31 -0.273 10.317 -8.635
240 HH11 ARG 31 HH11 ARG 31 2.891 11.724 -8.182
241 HH12 ARG 31 HH12 ARG 31 3.510 11.167 -9.700
242 HH21 ARG 31 HH21 ARG 31 0.527 9.576 -10.656
243 HH22 ARG 31 HH22 ARG 31 2.155 9.944 -11.117
244 H ARG 32 H ARG 32 -1.160 10.888 -2.944
245 HA ARG 32 HA ARG 32 1.057 12.655 -2.204
246 HB2 ARG 32 HB2 ARG 32 -0.582 14.498 -1.852
247 HB3 ARG 32 HB1 ARG 32 -0.405 14.025 -3.534
248 HG2 ARG 32 HG2 ARG 32 -2.484 12.749 -3.393
249 HG3 ARG 32 HG1 ARG 32 -2.662 13.236 -1.706
250 HD2 ARG 32 HD2 ARG 32 -2.751 15.581 -2.395
251 HD3 ARG 32 HD1 ARG 32 -2.569 15.094 -4.080
252 HE ARG 32 HE ARG 32 -4.783 13.772 -2.945
253 HH11 ARG 32 HH11 ARG 32 -3.781 16.949 -4.003
254 HH12 ARG 32 HH12 ARG 32 -5.386 17.477 -4.384
255 HH21 ARG 32 HH21 ARG 32 -6.910 14.452 -3.447
256 HH22 ARG 32 HH22 ARG 32 -7.176 16.049 -4.065
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 3.501 13.387 -1.324
2 H2 GLY 1 HT2 GLY 1 5.080 13.833 -1.749
3 H3 GLY 1 HT3 GLY 1 4.037 14.973 -1.071
4 HA2 GLY 1 HA1 GLY 1 5.855 13.398 0.268
5 HA3 GLY 1 HA2 GLY 1 4.619 14.428 0.980
6 H LEU 2 H LEU 2 4.410 11.435 -0.899
7 HA LEU 2 HA LEU 2 2.534 10.374 1.018
8 HB2 LEU 2 HB2 LEU 2 2.094 8.631 -0.573
9 HB3 LEU 2 HB1 LEU 2 2.055 10.179 -1.376
10 HG LEU 2 HG LEU 2 3.043 8.680 -2.891
11 HD11 LEU 2 HD11 LEU 2 4.233 10.678 -3.047
12 HD12 LEU 2 HD12 LEU 2 5.452 9.404 -3.053
13 HD13 LEU 2 HD13 LEU 2 5.164 10.342 -1.588
14 HD21 LEU 2 HD21 LEU 2 4.575 7.019 -2.478
15 HD22 LEU 2 HD22 LEU 2 3.605 7.011 -1.005
16 HD23 LEU 2 HD23 LEU 2 5.185 7.795 -1.015
17 H LEU 3 H LEU 3 2.727 8.317 1.985
18 HA LEU 3 HA LEU 3 5.505 7.423 2.337
19 HB2 LEU 3 HB2 LEU 3 3.262 7.443 4.366
20 HB3 LEU 3 HB1 LEU 3 4.832 6.705 4.622
21 HG LEU 3 HG LEU 3 4.339 9.652 4.177
22 HD11 LEU 3 HD11 LEU 3 4.476 7.954 6.579
23 HD12 LEU 3 HD12 LEU 3 3.680 9.507 6.326
24 HD13 LEU 3 HD13 LEU 3 5.416 9.446 6.636
25 HD21 LEU 3 HD21 LEU 3 6.586 10.011 4.234
26 HD22 LEU 3 HD22 LEU 3 6.584 8.414 3.485
27 HD23 LEU 3 HD23 LEU 3 6.903 8.576 5.211
28 H CYS 4 H CYS 4 5.825 5.431 1.609
29 HA CYS 4 HA CYS 4 3.637 3.824 0.715
30 HB2 CYS 4 HB2 CYS 4 6.593 3.215 0.871
31 HB3 CYS 4 HB1 CYS 4 5.398 2.210 0.059
32 H TYR 5 H TYR 5 2.861 1.914 1.535
33 HA TYR 5 HA TYR 5 4.042 0.796 3.944
34 HB2 TYR 5 HB2 TYR 5 1.905 0.897 5.200
35 HB3 TYR 5 HB1 TYR 5 2.572 2.493 4.883
36 HD1 TYR 5 HD2 TYR 5 0.019 0.066 3.670
37 HD2 TYR 5 HD1 TYR 5 1.274 4.129 3.825
38 HE1 TYR 5 HE2 TYR 5 -2.122 0.759 2.686
39 HE2 TYR 5 HE1 TYR 5 -0.868 4.832 2.844
40 HH TYR 5 HH TYR 5 -2.875 2.875 1.239
41 H CYS 6 H CYS 6 3.021 -1.284 4.518
42 HA CYS 6 HA CYS 6 2.405 -2.742 2.122
43 HB2 CYS 6 HB2 CYS 6 2.658 -3.604 5.004
44 HB3 CYS 6 HB1 CYS 6 2.330 -4.713 3.676
45 H GLY 7 H GLY 7 0.449 -2.633 1.302
46 HA2 GLY 7 HA2 GLY 7 -1.902 -2.192 2.904
47 HA3 GLY 7 HA1 GLY 7 -1.847 -2.448 1.162
48 H LYS 8 H LYS 8 -3.462 -3.640 3.437
49 HA LYS 8 HA LYS 8 -2.707 -6.439 3.297
50 HB2 LYS 8 HB2 LYS 8 -3.476 -5.361 5.427
51 HB3 LYS 8 HB1 LYS 8 -5.065 -5.173 4.702
52 HG2 LYS 8 HG2 LYS 8 -5.235 -7.610 4.473
53 HG3 LYS 8 HG1 LYS 8 -3.656 -7.778 5.245
54 HD2 LYS 8 HD2 LYS 8 -4.567 -6.613 7.239
55 HD3 LYS 8 HD1 LYS 8 -6.153 -6.607 6.467
56 HE2 LYS 8 HE2 LYS 8 -6.018 -8.450 8.018
57 HE3 LYS 8 HE1 LYS 8 -6.082 -9.070 6.369
58 HZ1 LYS 8 HZ1 LYS 8 -3.406 -8.632 7.318
59 HZ2 LYS 8 HZ2 LYS 8 -4.077 -9.992 6.571
60 HZ3 LYS 8 HZ3 LYS 8 -4.255 -9.771 8.238
61 H GLY 9 H GLY 9 -3.365 -7.629 1.649
62 HA2 GLY 9 HA2 GLY 9 -4.826 -8.657 0.193
63 HA3 GLY 9 HA1 GLY 9 -6.123 -7.682 0.861
64 H HIS 10 H HIS 10 -5.153 -5.108 0.309
65 HA HIS 10 HA HIS 10 -4.298 -4.784 -2.370
66 HB2 HIS 10 HB2 HIS 10 -6.353 -4.094 -3.455
67 HB3 HIS 10 HB1 HIS 10 -6.562 -5.727 -2.835
68 HD1 HIS 10 HD1 HIS 10 -7.673 -5.575 -0.189
69 HD2 HIS 10 HD2 HIS 10 -8.545 -2.612 -2.968
70 HE1 HIS 10 HE1 HIS 10 -9.784 -4.485 0.631
71 HE2 HIS 10 HE2 HIS 10 -10.204 -2.599 -0.984
72 H CYS 11 H CYS 11 -4.244 -2.564 -3.019
73 HA CYS 11 HA CYS 11 -3.988 -0.752 -0.797
74 HB2 CYS 11 HB2 CYS 11 -3.795 -0.068 -3.735
75 HB3 CYS 11 HB1 CYS 11 -3.065 0.788 -2.382
76 H LYS 12 H LYS 12 -5.031 1.459 -0.918
77 HA LYS 12 HA LYS 12 -7.865 1.100 -1.310
78 HB2 LYS 12 HB2 LYS 12 -8.175 3.023 -0.071
79 HB3 LYS 12 HB1 LYS 12 -6.635 2.461 0.557
80 HG2 LYS 12 HG2 LYS 12 -6.059 4.144 -1.632
81 HG3 LYS 12 HG1 LYS 12 -7.286 4.958 -0.660
82 HD2 LYS 12 HD2 LYS 12 -4.618 3.913 0.280
83 HD3 LYS 12 HD1 LYS 12 -5.099 5.601 0.120
84 HE2 LYS 12 HE2 LYS 12 -6.696 5.376 1.894
85 HE3 LYS 12 HE1 LYS 12 -6.438 3.632 1.967
86 HZ1 LYS 12 HZ1 LYS 12 -4.079 4.141 2.560
87 HZ2 LYS 12 HZ2 LYS 12 -5.219 4.597 3.729
88 HZ3 LYS 12 HZ3 LYS 12 -4.527 5.767 2.725
89 H ARG 13 H ARG 13 -9.206 2.347 -2.646
90 HA ARG 13 HA ARG 13 -8.270 2.719 -5.280
91 HB2 ARG 13 HB2 ARG 13 -10.603 2.109 -4.672
92 HB3 ARG 13 HB1 ARG 13 -10.838 3.732 -4.041
93 HG2 ARG 13 HG2 ARG 13 -11.812 3.571 -6.230
94 HG3 ARG 13 HG1 ARG 13 -10.409 4.638 -6.297
95 HD2 ARG 13 HD2 ARG 13 -9.059 2.811 -7.198
96 HD3 ARG 13 HD1 ARG 13 -10.453 1.734 -7.115
97 HE ARG 13 HE ARG 13 -11.139 3.990 -8.638
98 HH11 ARG 13 HH11 ARG 13 -9.096 1.156 -8.826
99 HH12 ARG 13 HH12 ARG 13 -9.149 1.067 -10.554
100 HH21 ARG 13 HH21 ARG 13 -11.217 3.882 -10.926
101 HH22 ARG 13 HH22 ARG 13 -10.361 2.624 -11.754
102 H GLY 14 H GLY 14 -6.472 4.146 -4.738
103 HA2 GLY 14 HA2 GLY 14 -6.871 6.770 -5.583
104 HA3 GLY 14 HA1 GLY 14 -6.818 6.789 -3.823
105 H GLU 15 H GLU 15 -4.987 4.475 -3.730
106 HA GLU 15 HA GLU 15 -2.547 5.987 -4.304
107 HB2 GLU 15 HB2 GLU 15 -1.435 4.420 -2.788
108 HB3 GLU 15 HB1 GLU 15 -2.800 5.215 -2.023
109 HG2 GLU 15 HG2 GLU 15 -4.139 3.161 -2.525
110 HG3 GLU 15 HG1 GLU 15 -2.628 2.397 -3.022
111 H ARG 16 H ARG 16 -0.636 4.130 -4.570
112 HA ARG 16 HA ARG 16 -1.466 2.475 -6.863
113 HB2 ARG 16 HB2 ARG 16 0.417 3.172 -8.158
114 HB3 ARG 16 HB1 ARG 16 -0.363 4.636 -7.575
115 HG2 ARG 16 HG2 ARG 16 1.311 4.858 -5.828
116 HG3 ARG 16 HG1 ARG 16 2.076 3.360 -6.352
117 HD2 ARG 16 HD2 ARG 16 3.391 5.029 -7.305
118 HD3 ARG 16 HD1 ARG 16 2.344 4.508 -8.621
119 HE ARG 16 HE ARG 16 1.651 6.659 -8.760
120 HH11 ARG 16 HH11 ARG 16 2.470 6.068 -5.403
121 HH12 ARG 16 HH12 ARG 16 2.167 7.700 -4.901
122 HH21 ARG 16 HH21 ARG 16 1.302 8.833 -8.105
123 HH22 ARG 16 HH22 ARG 16 1.532 9.276 -6.446
124 H VAL 17 H VAL 17 -0.413 0.527 -7.092
125 HA VAL 17 HA VAL 17 0.929 -0.490 -4.756
126 HB VAL 17 HB VAL 17 -0.653 -1.925 -5.930
127 HG11 VAL 17 HG11 VAL 17 -0.301 -2.747 -8.156
128 HG12 VAL 17 HG21 VAL 17 1.239 -1.896 -8.275
129 HG13 VAL 17 3HG1 VAL 17 -0.268 -0.983 -8.194
130 HG21 VAL 17 HG12 VAL 17 2.180 -2.706 -5.646
131 HG22 VAL 17 HG22 VAL 17 1.151 -3.807 -6.561
132 HG23 VAL 17 HG23 VAL 17 0.731 -3.384 -4.901
133 H ARG 18 H ARG 18 3.093 -1.119 -4.601
134 HA ARG 18 HA ARG 18 4.827 -0.772 -6.909
135 HB2 ARG 18 HB2 ARG 18 4.558 1.485 -5.763
136 HB3 ARG 18 HB1 ARG 18 5.414 0.790 -4.394
137 HG2 ARG 18 HG2 ARG 18 7.377 0.432 -5.736
138 HG3 ARG 18 HG1 ARG 18 6.523 0.953 -7.189
139 HD2 ARG 18 HD2 ARG 18 7.927 2.746 -6.383
140 HD3 ARG 18 HD1 ARG 18 6.232 3.185 -6.188
141 HE ARG 18 HE ARG 18 6.570 3.318 -3.940
142 HH11 ARG 18 HH11 ARG 18 9.162 1.393 -5.301
143 HH12 ARG 18 HH12 ARG 18 10.035 1.282 -3.811
144 HH21 ARG 18 HH21 ARG 18 7.719 3.186 -1.980
145 HH22 ARG 18 HH22 ARG 18 9.211 2.305 -1.914
146 H GLY 19 H GLY 19 4.109 -3.074 -5.468
147 HA2 GLY 19 HA2 GLY 19 6.266 -4.574 -5.238
148 HA3 GLY 19 HA1 GLY 19 6.386 -3.671 -3.736
149 H THR 20 H THR 20 6.296 -5.966 -2.952
150 HA THR 20 HA THR 20 3.535 -6.594 -2.217
151 HB THR 20 HB THR 20 4.205 -9.083 -2.446
152 HG1 THR 20 HG1 THR 20 6.447 -8.514 -2.973
153 HG21 THR 20 HG12 THR 20 3.601 -9.071 -4.910
154 HG22 THR 20 HG22 THR 20 3.597 -7.310 -4.805
155 HG23 THR 20 HG23 THR 20 2.469 -8.256 -3.832
156 H CYS 21 H CYS 21 3.346 -7.488 -0.146
157 HA CYS 21 HA CYS 21 5.878 -7.657 1.358
158 HB2 CYS 21 HB2 CYS 21 3.186 -6.738 2.386
159 HB3 CYS 21 HB1 CYS 21 4.669 -6.843 3.329
160 H GLY 22 H GLY 22 4.697 -9.869 0.039
161 HA2 GLY 22 HA2 GLY 22 4.799 -12.109 0.867
162 HA3 GLY 22 HA1 GLY 22 4.145 -11.536 2.392
163 H ILE 23 H ILE 23 2.855 -13.559 1.856
164 HA ILE 23 HA ILE 23 0.913 -13.572 -0.153
165 HB ILE 23 HB ILE 23 -0.286 -15.242 1.307
166 HG12 ILE 23 HG21 ILE 23 2.140 -14.867 3.084
167 HG13 ILE 23 HG11 ILE 23 0.509 -14.338 3.484
168 HG21 ILE 23 HG12 ILE 23 2.540 -15.496 0.394
169 HG22 ILE 23 HG22 ILE 23 1.074 -16.227 -0.258
170 HG23 ILE 23 HG23 ILE 23 1.779 -16.845 1.235
171 HD11 ILE 23 HD11 ILE 23 -0.267 -16.555 3.664
172 HD12 ILE 23 HD12 ILE 23 1.273 -16.499 4.521
173 HD13 ILE 23 HD13 ILE 23 1.188 -17.204 2.906
174 H ARG 24 H ARG 24 -0.750 -12.354 -0.455
175 HA ARG 24 HA ARG 24 -2.620 -11.120 -0.168
176 HB2 ARG 24 HB2 ARG 24 -2.479 -12.106 2.683
177 HB3 ARG 24 HB1 ARG 24 -3.826 -11.202 2.003
178 HG2 ARG 24 HG2 ARG 24 -4.451 -12.961 0.600
179 HG3 ARG 24 HG1 ARG 24 -2.897 -13.776 0.782
180 HD2 ARG 24 HD2 ARG 24 -4.978 -13.426 2.938
181 HD3 ARG 24 HD1 ARG 24 -4.660 -14.911 2.041
182 HE ARG 24 HE ARG 24 -2.287 -13.984 3.273
183 HH11 ARG 24 HH11 ARG 24 -5.336 -15.528 4.024
184 HH12 ARG 24 HH12 ARG 24 -4.734 -16.338 5.430
185 HH21 ARG 24 HH21 ARG 24 -1.478 -15.048 5.133
186 HH22 ARG 24 HH22 ARG 24 -2.528 -16.064 6.064
187 H PHE 25 H PHE 25 0.152 -10.100 0.344
188 HA PHE 25 HA PHE 25 -0.710 -7.548 1.491
189 HB2 PHE 25 HB2 PHE 25 1.707 -9.112 2.384
190 HB3 PHE 25 HB1 PHE 25 1.615 -7.362 2.553
191 HD1 PHE 25 HD1 PHE 25 -0.020 -10.534 3.562
192 HD2 PHE 25 HD2 PHE 25 0.480 -6.381 4.338
193 HE1 PHE 25 HE1 PHE 25 -1.207 -10.795 5.700
194 HE2 PHE 25 HE2 PHE 25 -0.706 -6.634 6.478
195 HZ PHE 25 HZ PHE 25 -1.552 -8.844 7.161
196 H LEU 26 H LEU 26 0.188 -5.784 0.512
197 HA LEU 26 HA LEU 26 2.340 -6.208 -1.415
198 HB2 LEU 26 HB2 LEU 26 1.165 -5.187 -3.257
199 HB3 LEU 26 HB1 LEU 26 0.284 -6.592 -2.699
200 HG LEU 26 HG LEU 26 -0.471 -3.764 -1.952
201 HD11 LEU 26 HD11 LEU 26 -1.634 -3.518 -3.848
202 HD12 LEU 26 HD12 LEU 26 -2.165 -5.200 -3.853
203 HD13 LEU 26 HD13 LEU 26 -0.574 -4.775 -4.486
204 HD21 LEU 26 HD21 LEU 26 -1.229 -5.929 -0.653
205 HD22 LEU 26 HD22 LEU 26 -2.347 -6.075 -2.009
206 HD23 LEU 26 HD23 LEU 26 -2.367 -4.628 -1.001
207 H TYR 27 H TYR 27 3.386 -4.277 -2.079
208 HA TYR 27 HA TYR 27 3.383 -2.273 -0.008
209 HB2 TYR 27 HB2 TYR 27 5.361 -3.288 -1.464
210 HB3 TYR 27 HB1 TYR 27 4.938 -1.964 -2.541
211 HD1 TYR 27 HD2 TYR 27 4.829 -1.902 1.168
212 HD2 TYR 27 HD1 TYR 27 6.855 -0.625 -2.347
213 HE1 TYR 27 HE2 TYR 27 6.213 -0.387 2.523
214 HE2 TYR 27 HE1 TYR 27 8.246 0.888 -1.002
215 HH TYR 27 HH TYR 27 8.089 0.902 2.509
216 H CYS 28 H CYS 28 2.232 -0.439 -0.040
217 HA CYS 28 HA CYS 28 1.149 0.463 -2.627
218 HB2 CYS 28 HB2 CYS 28 -0.162 0.699 0.087
219 HB3 CYS 28 HB1 CYS 28 -0.855 1.188 -1.455
220 H CYS 29 H CYS 29 1.166 2.624 -3.070
221 HA CYS 29 HA CYS 29 2.287 4.452 -1.063
222 HB2 CYS 29 HB2 CYS 29 3.161 4.382 -3.960
223 HB3 CYS 29 HB1 CYS 29 3.783 5.437 -2.699
224 HA PRO 30 HA PRO 30 -1.432 6.584 -2.394
225 HB2 PRO 30 HB2 PRO 30 -0.316 8.756 -0.733
226 HB3 PRO 30 HB1 PRO 30 -1.874 7.933 -0.618
227 HG2 PRO 30 HG2 PRO 30 0.065 7.475 1.163
228 HG3 PRO 30 HG1 PRO 30 -1.003 6.173 0.607
229 HD2 PRO 30 HD2 PRO 30 1.811 6.794 -0.204
230 HD3 PRO 30 HD1 PRO 30 1.049 5.219 0.108
231 H ARG 31 H ARG 31 -2.043 8.591 -3.415
232 HA ARG 31 HA ARG 31 0.044 9.602 -5.197
233 HB2 ARG 31 HB2 ARG 31 -2.966 9.681 -5.280
234 HB3 ARG 31 HB1 ARG 31 -1.997 10.707 -6.322
235 HG2 ARG 31 HG2 ARG 31 -0.932 8.677 -7.257
236 HG3 ARG 31 HG1 ARG 31 -2.025 7.698 -6.274
237 HD2 ARG 31 HD2 ARG 31 -3.946 8.625 -7.401
238 HD3 ARG 31 HD1 ARG 31 -2.928 9.753 -8.291
239 HE ARG 31 HE ARG 31 -2.543 8.111 -9.814
240 HH11 ARG 31 HH11 ARG 31 -3.658 6.604 -6.864
241 HH12 ARG 31 HH12 ARG 31 -3.619 4.992 -7.514
242 HH21 ARG 31 HH21 ARG 31 -2.528 5.992 -10.697
243 HH22 ARG 31 HH22 ARG 31 -2.993 4.652 -9.704
244 H ARG 32 H ARG 32 0.669 10.670 -2.902
245 HA ARG 32 HA ARG 32 0.055 13.460 -3.214
246 HB2 ARG 32 HB2 ARG 32 -1.857 12.468 -1.839
247 HB3 ARG 32 HB1 ARG 32 -0.673 12.195 -0.570
248 HG2 ARG 32 HG2 ARG 32 -0.283 14.839 -1.186
249 HG3 ARG 32 HG1 ARG 32 -2.028 14.644 -1.372
250 HD2 ARG 32 HD2 ARG 32 -1.463 15.286 0.913
251 HD3 ARG 32 HD1 ARG 32 -2.155 13.663 0.867
252 HE ARG 32 HE ARG 32 0.651 13.477 0.687
253 HH11 ARG 32 HH11 ARG 32 -1.846 14.310 3.002
254 HH12 ARG 32 HH12 ARG 32 -0.914 13.837 4.381
255 HH21 ARG 32 HH21 ARG 32 1.894 12.846 2.504
256 HH22 ARG 32 HH22 ARG 32 1.223 13.002 4.097
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 5.182 13.519 1.567
2 H2 GLY 1 HT2 GLY 1 3.967 12.351 1.756
3 H3 GLY 1 HT3 GLY 1 4.866 12.418 0.321
4 HA2 GLY 1 HA1 GLY 1 6.812 12.135 2.156
5 HA3 GLY 1 HA2 GLY 1 5.501 11.184 2.843
6 H LEU 2 H LEU 2 4.274 10.223 0.572
7 HA LEU 2 HA LEU 2 4.345 8.555 -0.945
8 HB2 LEU 2 HB2 LEU 2 7.066 9.735 -1.387
9 HB3 LEU 2 HB1 LEU 2 6.591 8.272 -2.225
10 HG LEU 2 HG LEU 2 4.623 9.542 -3.149
11 HD11 LEU 2 HD11 LEU 2 4.138 11.556 -2.377
12 HD12 LEU 2 HD12 LEU 2 5.685 12.153 -2.978
13 HD13 LEU 2 HD13 LEU 2 5.559 11.523 -1.334
14 HD21 LEU 2 HD21 LEU 2 5.964 10.725 -4.833
15 HD22 LEU 2 HD22 LEU 2 6.594 9.114 -4.486
16 HD23 LEU 2 HD23 LEU 2 7.389 10.536 -3.812
17 H LEU 3 H LEU 3 4.746 7.867 1.708
18 HA LEU 3 HA LEU 3 6.827 5.825 1.715
19 HB2 LEU 3 HB2 LEU 3 5.018 6.959 3.823
20 HB3 LEU 3 HB1 LEU 3 5.779 5.402 4.074
21 HG LEU 3 HG LEU 3 7.122 7.010 5.178
22 HD11 LEU 3 HD11 LEU 3 9.225 7.015 3.655
23 HD12 LEU 3 HD12 LEU 3 8.243 5.988 2.611
24 HD13 LEU 3 HD13 LEU 3 8.585 5.490 4.268
25 HD21 LEU 3 HD21 LEU 3 6.757 9.120 4.486
26 HD22 LEU 3 HD22 LEU 3 6.564 8.649 2.797
27 HD23 LEU 3 HD23 LEU 3 8.178 8.812 3.488
28 H CYS 4 H CYS 4 6.356 3.922 0.861
29 HA CYS 4 HA CYS 4 3.690 3.072 0.350
30 HB2 CYS 4 HB2 CYS 4 6.382 1.812 0.022
31 HB3 CYS 4 HB1 CYS 4 4.934 0.840 -0.160
32 H TYR 5 H TYR 5 2.462 1.533 1.322
33 HA TYR 5 HA TYR 5 3.527 0.339 3.779
34 HB2 TYR 5 HB2 TYR 5 1.591 0.818 5.039
35 HB3 TYR 5 HB1 TYR 5 1.987 2.322 4.225
36 HD1 TYR 5 HD2 TYR 5 -0.350 -0.545 4.260
37 HD2 TYR 5 HD1 TYR 5 0.448 3.339 2.716
38 HE1 TYR 5 HE2 TYR 5 -2.664 -0.399 3.447
39 HE2 TYR 5 HE1 TYR 5 -1.867 3.497 1.909
40 HH TYR 5 HH TYR 5 -3.736 2.252 1.418
41 H CYS 6 H CYS 6 2.397 -1.616 4.429
42 HA CYS 6 HA CYS 6 1.876 -3.245 2.122
43 HB2 CYS 6 HB2 CYS 6 1.906 -3.948 5.061
44 HB3 CYS 6 HB1 CYS 6 1.849 -5.103 3.733
45 H GLY 7 H GLY 7 -0.051 -3.124 1.214
46 HA2 GLY 7 HA2 GLY 7 -2.472 -2.611 2.671
47 HA3 GLY 7 HA1 GLY 7 -2.341 -3.018 0.961
48 H LYS 8 H LYS 8 -3.973 -4.041 3.359
49 HA LYS 8 HA LYS 8 -3.185 -6.802 3.549
50 HB2 LYS 8 HB2 LYS 8 -5.674 -5.406 4.554
51 HB3 LYS 8 HB1 LYS 8 -5.170 -7.037 4.978
52 HG2 LYS 8 HG2 LYS 8 -3.178 -6.162 6.060
53 HG3 LYS 8 HG1 LYS 8 -3.633 -4.522 5.597
54 HD2 LYS 8 HD2 LYS 8 -5.674 -4.717 6.938
55 HD3 LYS 8 HD1 LYS 8 -5.208 -6.353 7.405
56 HE2 LYS 8 HE2 LYS 8 -3.196 -5.479 8.477
57 HE3 LYS 8 HE1 LYS 8 -3.639 -3.844 7.991
58 HZ1 LYS 8 HZ1 LYS 8 -5.840 -4.594 9.283
59 HZ2 LYS 8 HZ2 LYS 8 -4.545 -3.804 10.031
60 HZ3 LYS 8 HZ3 LYS 8 -4.686 -5.486 10.141
61 H GLY 9 H GLY 9 -3.645 -8.243 2.060
62 HA2 GLY 9 HA2 GLY 9 -4.895 -9.485 0.574
63 HA3 GLY 9 HA1 GLY 9 -6.276 -8.460 0.934
64 H HIS 10 H HIS 10 -5.349 -5.963 0.210
65 HA HIS 10 HA HIS 10 -4.019 -5.785 -2.243
66 HB2 HIS 10 HB2 HIS 10 -5.788 -5.577 -3.872
67 HB3 HIS 10 HB1 HIS 10 -5.968 -7.132 -3.073
68 HD1 HIS 10 HD1 HIS 10 -7.729 -6.798 -0.818
69 HD2 HIS 10 HD2 HIS 10 -8.187 -4.403 -4.183
70 HE1 HIS 10 HE1 HIS 10 -10.089 -5.936 -0.714
71 HE2 HIS 10 HE2 HIS 10 -10.279 -4.354 -2.664
72 H CYS 11 H CYS 11 -3.879 -3.668 -2.967
73 HA CYS 11 HA CYS 11 -4.692 -1.657 -1.067
74 HB2 CYS 11 HB2 CYS 11 -3.293 -1.289 -3.727
75 HB3 CYS 11 HB1 CYS 11 -3.319 -0.155 -2.376
76 H LYS 12 H LYS 12 -5.414 0.559 -2.435
77 HA LYS 12 HA LYS 12 -7.416 -0.137 -4.413
78 HB2 LYS 12 HB2 LYS 12 -9.217 1.072 -3.062
79 HB3 LYS 12 HB1 LYS 12 -8.791 -0.556 -2.567
80 HG2 LYS 12 HG2 LYS 12 -8.963 0.588 -0.564
81 HG3 LYS 12 HG1 LYS 12 -7.227 0.587 -0.876
82 HD2 LYS 12 HD2 LYS 12 -7.400 2.866 -1.776
83 HD3 LYS 12 HD1 LYS 12 -9.133 2.860 -1.442
84 HE2 LYS 12 HE2 LYS 12 -7.924 4.041 0.309
85 HE3 LYS 12 HE1 LYS 12 -8.667 2.575 0.946
86 HZ1 LYS 12 HZ1 LYS 12 -6.082 3.281 1.281
87 HZ2 LYS 12 HZ2 LYS 12 -5.973 2.202 -0.016
88 HZ3 LYS 12 HZ3 LYS 12 -6.680 1.708 1.442
89 H ARG 13 H ARG 13 -8.901 2.076 -4.507
90 HA ARG 13 HA ARG 13 -7.297 3.914 -5.904
91 HB2 ARG 13 HB2 ARG 13 -9.820 3.369 -6.130
92 HB3 ARG 13 HB1 ARG 13 -10.040 4.564 -4.862
93 HG2 ARG 13 HG2 ARG 13 -10.389 5.630 -6.965
94 HG3 ARG 13 HG1 ARG 13 -8.862 6.216 -6.303
95 HD2 ARG 13 HD2 ARG 13 -7.617 4.730 -7.742
96 HD3 ARG 13 HD1 ARG 13 -9.108 3.997 -8.331
97 HE ARG 13 HE ARG 13 -9.314 5.713 -9.808
98 HH11 ARG 13 HH11 ARG 13 -7.094 6.720 -7.298
99 HH12 ARG 13 HH12 ARG 13 -6.725 8.234 -8.051
100 HH21 ARG 13 HH21 ARG 13 -8.834 7.714 -10.807
101 HH22 ARG 13 HH22 ARG 13 -7.720 8.805 -10.052
102 H GLY 14 H GLY 14 -5.810 4.114 -3.996
103 HA2 GLY 14 HA2 GLY 14 -6.120 6.730 -2.851
104 HA3 GLY 14 HA1 GLY 14 -6.195 5.436 -1.657
105 H GLU 15 H GLU 15 -4.401 3.679 -3.111
106 HA GLU 15 HA GLU 15 -1.898 5.202 -2.854
107 HB2 GLU 15 HB2 GLU 15 -0.875 2.992 -2.055
108 HB3 GLU 15 HB1 GLU 15 -1.826 3.918 -0.914
109 HG2 GLU 15 HG2 GLU 15 -2.929 1.615 -2.484
110 HG3 GLU 15 HG1 GLU 15 -2.148 1.422 -0.917
111 H ARG 16 H ARG 16 -0.140 4.439 -4.105
112 HA ARG 16 HA ARG 16 -1.053 3.147 -6.574
113 HB2 ARG 16 HB2 ARG 16 1.523 4.643 -6.037
114 HB3 ARG 16 HB1 ARG 16 1.019 3.997 -7.591
115 HG2 ARG 16 HG2 ARG 16 0.359 6.139 -7.887
116 HG3 ARG 16 HG1 ARG 16 -1.099 5.531 -7.098
117 HD2 ARG 16 HD2 ARG 16 -0.511 7.584 -6.038
118 HD3 ARG 16 HD1 ARG 16 -0.126 6.278 -4.917
119 HE ARG 16 HE ARG 16 2.119 6.985 -6.520
120 HH11 ARG 16 HH11 ARG 16 0.287 7.920 -3.705
121 HH12 ARG 16 HH12 ARG 16 1.584 8.804 -2.977
122 HH21 ARG 16 HH21 ARG 16 3.852 8.164 -5.580
123 HH22 ARG 16 HH22 ARG 16 3.616 8.955 -4.058
124 H VAL 17 H VAL 17 -0.600 1.103 -6.941
125 HA VAL 17 HA VAL 17 0.964 -0.438 -5.147
126 HB VAL 17 HB VAL 17 -0.964 -1.406 -6.289
127 HG11 VAL 17 HG11 VAL 17 -0.043 -0.153 -8.542
128 HG12 VAL 17 HG21 VAL 17 -1.329 -1.357 -8.489
129 HG13 VAL 17 3HG1 VAL 17 0.322 -1.848 -8.867
130 HG21 VAL 17 HG12 VAL 17 0.267 -3.191 -5.666
131 HG22 VAL 17 HG22 VAL 17 1.720 -2.613 -6.483
132 HG23 VAL 17 HG23 VAL 17 0.442 -3.399 -7.409
133 H ARG 18 H ARG 18 3.004 -1.173 -5.283
134 HA ARG 18 HA ARG 18 4.553 -0.470 -7.685
135 HB2 ARG 18 HB2 ARG 18 5.359 -0.137 -4.795
136 HB3 ARG 18 HB1 ARG 18 6.500 -0.064 -6.131
137 HG2 ARG 18 HG2 ARG 18 5.355 1.849 -7.058
138 HG3 ARG 18 HG1 ARG 18 4.114 1.745 -5.807
139 HD2 ARG 18 HD2 ARG 18 5.688 3.481 -5.241
140 HD3 ARG 18 HD1 ARG 18 5.841 2.148 -4.099
141 HE ARG 18 HE ARG 18 7.691 1.830 -6.207
142 HH11 ARG 18 HH11 ARG 18 7.098 3.738 -3.334
143 HH12 ARG 18 HH12 ARG 18 8.768 4.127 -3.085
144 HH21 ARG 18 HH21 ARG 18 9.909 2.334 -5.882
145 HH22 ARG 18 HH22 ARG 18 10.373 3.322 -4.538
146 H GLY 19 H GLY 19 3.913 -2.715 -5.114
147 HA2 GLY 19 HA2 GLY 19 4.865 -4.917 -6.584
148 HA3 GLY 19 HA1 GLY 19 6.085 -4.451 -5.405
149 H THR 20 H THR 20 5.716 -6.565 -4.470
150 HA THR 20 HA THR 20 3.220 -6.747 -2.932
151 HB THR 20 HB THR 20 4.000 -9.171 -2.602
152 HG1 THR 20 HG1 THR 20 6.132 -8.904 -3.378
153 HG21 THR 20 HG12 THR 20 2.121 -8.565 -4.040
154 HG22 THR 20 HG22 THR 20 3.064 -9.867 -4.766
155 HG23 THR 20 HG23 THR 20 3.232 -8.217 -5.364
156 H CYS 21 H CYS 21 3.271 -6.989 -0.733
157 HA CYS 21 HA CYS 21 5.778 -6.275 0.566
158 HB2 CYS 21 HB2 CYS 21 3.851 -5.022 1.279
159 HB3 CYS 21 HB1 CYS 21 2.938 -6.496 1.579
160 H GLY 22 H GLY 22 3.373 -8.861 0.566
161 HA2 GLY 22 HA2 GLY 22 5.201 -10.916 0.994
162 HA3 GLY 22 HA1 GLY 22 4.570 -10.446 2.569
163 H ILE 23 H ILE 23 3.622 -12.551 2.734
164 HA ILE 23 HA ILE 23 1.775 -13.554 0.869
165 HB ILE 23 HB ILE 23 0.917 -14.945 2.791
166 HG12 ILE 23 HG21 ILE 23 3.209 -13.625 4.269
167 HG13 ILE 23 HG11 ILE 23 1.503 -13.337 4.593
168 HG21 ILE 23 HG12 ILE 23 2.410 -16.344 1.936
169 HG22 ILE 23 HG22 ILE 23 3.624 -15.683 3.033
170 HG23 ILE 23 HG23 ILE 23 3.424 -14.996 1.420
171 HD11 ILE 23 HD11 ILE 23 2.842 -16.018 4.840
172 HD12 ILE 23 HD12 ILE 23 1.204 -15.590 5.334
173 HD13 ILE 23 HD13 ILE 23 2.588 -14.897 6.177
174 H ARG 24 H ARG 24 -0.011 -12.656 0.270
175 HA ARG 24 HA ARG 24 -2.038 -11.662 0.230
176 HB2 ARG 24 HB2 ARG 24 -2.019 -12.180 3.208
177 HB3 ARG 24 HB1 ARG 24 -3.398 -11.548 2.325
178 HG2 ARG 24 HG2 ARG 24 -3.914 -13.781 2.480
179 HG3 ARG 24 HG1 ARG 24 -3.136 -13.709 0.899
180 HD2 ARG 24 HD2 ARG 24 -2.370 -15.619 2.270
181 HD3 ARG 24 HD1 ARG 24 -1.065 -14.520 1.829
182 HE ARG 24 HE ARG 24 -0.754 -14.044 4.041
183 HH11 ARG 24 HH11 ARG 24 -3.853 -15.635 3.682
184 HH12 ARG 24 HH12 ARG 24 -4.164 -15.698 5.384
185 HH21 ARG 24 HH21 ARG 24 -1.159 -14.120 6.287
186 HH22 ARG 24 HH22 ARG 24 -2.625 -14.834 6.871
187 H PHE 25 H PHE 25 0.468 -10.113 0.671
188 HA PHE 25 HA PHE 25 -0.868 -7.639 1.504
189 HB2 PHE 25 HB2 PHE 25 1.770 -8.630 2.553
190 HB3 PHE 25 HB1 PHE 25 1.390 -6.913 2.490
191 HD1 PHE 25 HD1 PHE 25 0.145 -10.142 3.857
192 HD2 PHE 25 HD2 PHE 25 0.221 -5.904 4.208
193 HE1 PHE 25 HE1 PHE 25 -1.017 -10.305 6.019
194 HE2 PHE 25 HE2 PHE 25 -0.938 -6.058 6.371
195 HZ PHE 25 HZ PHE 25 -1.560 -8.262 7.280
196 H LEU 26 H LEU 26 -0.409 -5.905 0.327
197 HA LEU 26 HA LEU 26 1.559 -6.227 -1.851
198 HB2 LEU 26 HB2 LEU 26 -1.112 -4.846 -1.801
199 HB3 LEU 26 HB1 LEU 26 0.101 -4.432 -2.996
200 HG LEU 26 HG LEU 26 0.091 -6.882 -3.670
201 HD11 LEU 26 HD11 LEU 26 -1.337 -8.374 -2.797
202 HD12 LEU 26 HD12 LEU 26 -2.635 -7.191 -2.632
203 HD13 LEU 26 HD13 LEU 26 -1.360 -7.276 -1.416
204 HD21 LEU 26 HD21 LEU 26 -2.432 -5.273 -4.030
205 HD22 LEU 26 HD22 LEU 26 -1.914 -6.621 -5.043
206 HD23 LEU 26 HD23 LEU 26 -0.963 -5.136 -4.996
207 H TYR 27 H TYR 27 2.842 -4.418 -2.409
208 HA TYR 27 HA TYR 27 3.105 -2.493 -0.206
209 HB2 TYR 27 HB2 TYR 27 5.033 -3.978 -1.296
210 HB3 TYR 27 HB1 TYR 27 5.079 -2.644 -2.443
211 HD1 TYR 27 HD1 TYR 27 4.429 -2.519 1.213
212 HD2 TYR 27 HD2 TYR 27 7.112 -1.582 -1.952
213 HE1 TYR 27 HE1 TYR 27 5.827 -1.251 2.786
214 HE2 TYR 27 HE2 TYR 27 8.520 -0.308 -0.388
215 HH TYR 27 HH TYR 27 7.489 0.371 2.876
216 H CYS 28 H CYS 28 2.025 -0.634 -0.505
217 HA CYS 28 HA CYS 28 2.116 0.596 -3.178
218 HB2 CYS 28 HB2 CYS 28 -0.383 0.418 -1.489
219 HB3 CYS 28 HB1 CYS 28 -0.242 1.154 -3.081
220 H CYS 29 H CYS 29 2.264 2.787 -3.216
221 HA CYS 29 HA CYS 29 2.700 4.104 -0.639
222 HB2 CYS 29 HB2 CYS 29 3.470 4.767 -3.468
223 HB3 CYS 29 HB1 CYS 29 3.511 5.999 -2.216
224 HA PRO 30 HA PRO 30 -1.407 5.833 -1.148
225 HB2 PRO 30 HB2 PRO 30 -1.524 7.028 1.269
226 HB3 PRO 30 HB1 PRO 30 -1.721 5.283 1.068
227 HG2 PRO 30 HG2 PRO 30 0.707 6.828 1.895
228 HG3 PRO 30 HG1 PRO 30 0.044 5.336 2.588
229 HD2 PRO 30 HD2 PRO 30 2.129 5.341 0.859
230 HD3 PRO 30 HD1 PRO 30 0.953 4.015 0.934
231 H ARG 31 H ARG 31 -2.359 7.987 -0.954
232 HA ARG 31 HA ARG 31 -0.727 9.986 -2.186
233 HB2 ARG 31 HB2 ARG 31 -3.552 10.113 -1.116
234 HB3 ARG 31 HB1 ARG 31 -2.787 11.376 -2.068
235 HG2 ARG 31 HG2 ARG 31 -2.674 9.963 -3.986
236 HG3 ARG 31 HG1 ARG 31 -3.195 8.562 -3.046
237 HD2 ARG 31 HD2 ARG 31 -5.025 9.493 -4.392
238 HD3 ARG 31 HD1 ARG 31 -5.361 9.589 -2.664
239 HE ARG 31 HE ARG 31 -4.160 11.986 -3.570
240 HH11 ARG 31 HH11 ARG 31 -7.193 10.241 -3.627
241 HH12 ARG 31 HH12 ARG 31 -8.160 11.664 -3.824
242 HH21 ARG 31 HH21 ARG 31 -5.431 13.875 -3.830
243 HH22 ARG 31 HH22 ARG 31 -7.154 13.738 -3.941
244 H ARG 32 H ARG 32 0.590 9.580 0.089
245 HA ARG 32 HA ARG 32 0.116 12.049 1.594
246 HB2 ARG 32 HB2 ARG 32 0.587 9.326 2.819
247 HB3 ARG 32 HB1 ARG 32 0.710 10.838 3.707
248 HG2 ARG 32 HG2 ARG 32 -1.666 11.293 3.153
249 HG3 ARG 32 HG1 ARG 32 -1.755 9.691 2.415
250 HD2 ARG 32 HD2 ARG 32 -2.609 9.668 4.706
251 HD3 ARG 32 HD1 ARG 32 -1.169 8.663 4.543
252 HE ARG 32 HE ARG 32 -0.389 11.233 5.350
253 HH11 ARG 32 HH11 ARG 32 -2.098 8.453 6.607
254 HH12 ARG 32 HH12 ARG 32 -1.663 8.762 8.253
255 HH21 ARG 32 HH21 ARG 32 0.195 11.653 7.522
256 HH22 ARG 32 HH22 ARG 32 -0.351 10.591 8.777
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 3.760 12.798 1.256
2 H2 GLY 1 HT2 GLY 1 3.627 13.997 2.439
3 H3 GLY 1 HT3 GLY 1 2.324 12.953 2.142
4 HA2 GLY 1 HA1 GLY 1 4.666 12.573 3.778
5 HA3 GLY 1 HA2 GLY 1 3.094 11.788 3.863
6 H LEU 2 H LEU 2 2.788 10.554 1.523
7 HA LEU 2 HA LEU 2 3.274 8.633 0.417
8 HB2 LEU 2 HB2 LEU 2 5.068 10.231 -0.457
9 HB3 LEU 2 HB1 LEU 2 6.176 9.415 0.629
10 HG LEU 2 HG LEU 2 5.710 7.278 -0.554
11 HD11 LEU 2 HD11 LEU 2 3.460 8.348 -1.443
12 HD12 LEU 2 HD12 LEU 2 4.309 7.085 -2.336
13 HD13 LEU 2 HD13 LEU 2 4.493 8.774 -2.809
14 HD21 LEU 2 HD21 LEU 2 7.681 8.218 -1.278
15 HD22 LEU 2 HD22 LEU 2 6.883 9.649 -1.932
16 HD23 LEU 2 HD23 LEU 2 6.774 8.111 -2.787
17 H LEU 3 H LEU 3 2.879 8.279 3.074
18 HA LEU 3 HA LEU 3 4.968 6.755 4.302
19 HB2 LEU 3 HB2 LEU 3 3.262 8.028 5.588
20 HB3 LEU 3 HB1 LEU 3 2.039 6.906 5.026
21 HG LEU 3 HG LEU 3 3.202 5.067 6.197
22 HD11 LEU 3 HD11 LEU 3 5.096 7.272 6.906
23 HD12 LEU 3 HD12 LEU 3 5.444 5.651 6.304
24 HD13 LEU 3 HD13 LEU 3 4.894 5.876 7.964
25 HD21 LEU 3 HD21 LEU 3 1.786 5.550 7.832
26 HD22 LEU 3 HD22 LEU 3 1.780 7.247 7.353
27 HD23 LEU 3 HD23 LEU 3 2.971 6.665 8.514
28 H CYS 4 H CYS 4 5.341 5.289 2.534
29 HA CYS 4 HA CYS 4 3.511 3.500 1.468
30 HB2 CYS 4 HB2 CYS 4 6.457 3.070 1.992
31 HB3 CYS 4 HB1 CYS 4 5.462 2.100 0.911
32 H TYR 5 H TYR 5 2.758 1.500 2.010
33 HA TYR 5 HA TYR 5 3.740 0.133 4.356
34 HB2 TYR 5 HB2 TYR 5 1.633 0.146 5.580
35 HB3 TYR 5 HB1 TYR 5 2.190 1.795 5.340
36 HD1 TYR 5 HD2 TYR 5 -0.243 -0.732 4.115
37 HD2 TYR 5 HD1 TYR 5 0.810 3.390 4.268
38 HE1 TYR 5 HE2 TYR 5 -2.447 -0.142 3.200
39 HE2 TYR 5 HE1 TYR 5 -1.397 3.991 3.361
40 HH TYR 5 HH TYR 5 -3.256 2.276 1.744
41 H CYS 6 H CYS 6 2.857 -2.011 4.542
42 HA CYS 6 HA CYS 6 2.234 -3.103 1.961
43 HB2 CYS 6 HB2 CYS 6 2.537 -4.396 4.677
44 HB3 CYS 6 HB1 CYS 6 2.245 -5.291 3.188
45 H GLY 7 H GLY 7 0.263 -2.809 1.215
46 HA2 GLY 7 HA2 GLY 7 -2.069 -2.603 2.839
47 HA3 GLY 7 HA1 GLY 7 -2.025 -2.720 1.084
48 H LYS 8 H LYS 8 -3.634 -4.068 3.268
49 HA LYS 8 HA LYS 8 -2.904 -6.847 3.027
50 HB2 LYS 8 HB2 LYS 8 -5.410 -5.635 4.214
51 HB3 LYS 8 HB1 LYS 8 -4.822 -7.275 4.452
52 HG2 LYS 8 HG2 LYS 8 -2.849 -6.398 5.606
53 HG3 LYS 8 HG1 LYS 8 -3.454 -4.756 5.378
54 HD2 LYS 8 HD2 LYS 8 -5.489 -5.396 6.658
55 HD3 LYS 8 HD1 LYS 8 -4.741 -6.961 6.984
56 HE2 LYS 8 HE2 LYS 8 -3.677 -4.260 7.806
57 HE3 LYS 8 HE1 LYS 8 -4.432 -5.450 8.865
58 HZ1 LYS 8 HZ1 LYS 8 -2.559 -6.648 8.982
59 HZ2 LYS 8 HZ2 LYS 8 -1.791 -5.232 8.468
60 HZ3 LYS 8 HZ3 LYS 8 -2.178 -6.436 7.347
61 H GLY 9 H GLY 9 -3.374 -7.981 1.287
62 HA2 GLY 9 HA2 GLY 9 -4.667 -8.938 -0.375
63 HA3 GLY 9 HA1 GLY 9 -6.013 -7.935 0.135
64 H HIS 10 H HIS 10 -4.825 -5.400 -0.148
65 HA HIS 10 HA HIS 10 -3.568 -4.961 -2.615
66 HB2 HIS 10 HB2 HIS 10 -5.458 -4.064 -3.947
67 HB3 HIS 10 HB1 HIS 10 -5.587 -5.794 -3.675
68 HD1 HIS 10 HD1 HIS 10 -8.126 -4.695 -4.477
69 HD2 HIS 10 HD2 HIS 10 -6.920 -4.445 -0.508
70 HE1 HIS 10 HE1 HIS 10 -10.237 -4.386 -3.148
71 HE2 HIS 10 HE2 HIS 10 -9.495 -4.417 -0.744
72 H CYS 11 H CYS 11 -3.697 -2.648 -3.288
73 HA CYS 11 HA CYS 11 -3.515 -0.966 -0.963
74 HB2 CYS 11 HB2 CYS 11 -3.349 -0.078 -3.847
75 HB3 CYS 11 HB1 CYS 11 -2.610 0.685 -2.436
76 H LYS 12 H LYS 12 -4.555 1.233 -1.002
77 HA LYS 12 HA LYS 12 -7.404 0.926 -1.298
78 HB2 LYS 12 HB2 LYS 12 -5.937 2.292 0.464
79 HB3 LYS 12 HB1 LYS 12 -6.143 3.570 -0.725
80 HG2 LYS 12 HG2 LYS 12 -7.895 3.929 0.738
81 HG3 LYS 12 HG1 LYS 12 -8.654 3.009 -0.565
82 HD2 LYS 12 HD2 LYS 12 -9.349 2.172 1.626
83 HD3 LYS 12 HD1 LYS 12 -8.424 0.954 0.745
84 HE2 LYS 12 HE2 LYS 12 -6.416 1.580 2.021
85 HE3 LYS 12 HE1 LYS 12 -7.361 2.770 2.913
86 HZ1 LYS 12 HZ1 LYS 12 -7.875 -0.155 2.912
87 HZ2 LYS 12 HZ2 LYS 12 -8.702 1.004 3.824
88 HZ3 LYS 12 HZ3 LYS 12 -7.070 0.689 4.138
89 H ARG 13 H ARG 13 -8.743 2.063 -2.715
90 HA ARG 13 HA ARG 13 -7.680 2.653 -5.279
91 HB2 ARG 13 HB2 ARG 13 -9.957 1.748 -4.933
92 HB3 ARG 13 HB1 ARG 13 -10.432 3.258 -4.171
93 HG2 ARG 13 HG2 ARG 13 -11.209 3.141 -6.474
94 HG3 ARG 13 HG1 ARG 13 -10.047 4.451 -6.260
95 HD2 ARG 13 HD2 ARG 13 -8.277 2.966 -7.154
96 HD3 ARG 13 HD1 ARG 13 -9.502 1.734 -7.453
97 HE ARG 13 HE ARG 13 -8.914 3.986 -9.077
98 HH11 ARG 13 HH11 ARG 13 -11.567 1.950 -8.035
99 HH12 ARG 13 HH12 ARG 13 -12.554 2.307 -9.410
100 HH21 ARG 13 HH21 ARG 13 -10.213 4.461 -10.898
101 HH22 ARG 13 HH22 ARG 13 -11.780 3.738 -11.047
102 H GLY 14 H GLY 14 -6.096 4.192 -4.405
103 HA2 GLY 14 HA2 GLY 14 -6.665 6.823 -5.148
104 HA3 GLY 14 HA1 GLY 14 -6.782 6.721 -3.395
105 H GLU 15 H GLU 15 -4.752 4.572 -3.263
106 HA GLU 15 HA GLU 15 -2.435 6.334 -3.379
107 HB2 GLU 15 HB2 GLU 15 -1.293 4.509 -2.112
108 HB3 GLU 15 HB1 GLU 15 -2.685 5.204 -1.298
109 HG2 GLU 15 HG2 GLU 15 -4.015 3.261 -2.058
110 HG3 GLU 15 HG1 GLU 15 -2.535 2.566 -2.727
111 H ARG 16 H ARG 16 -0.280 4.948 -3.859
112 HA ARG 16 HA ARG 16 -0.759 3.808 -6.532
113 HB2 ARG 16 HB2 ARG 16 0.548 5.882 -6.564
114 HB3 ARG 16 HB1 ARG 16 1.725 5.168 -5.469
115 HG2 ARG 16 HG2 ARG 16 2.303 3.505 -7.149
116 HG3 ARG 16 HG1 ARG 16 1.095 4.177 -8.244
117 HD2 ARG 16 HD2 ARG 16 2.319 6.292 -8.296
118 HD3 ARG 16 HD1 ARG 16 3.518 5.632 -7.185
119 HE ARG 16 HE ARG 16 3.382 3.902 -9.351
120 HH11 ARG 16 HH11 ARG 16 4.295 7.230 -8.763
121 HH12 ARG 16 HH12 ARG 16 5.436 7.283 -10.063
122 HH21 ARG 16 HH21 ARG 16 4.906 3.958 -11.055
123 HH22 ARG 16 HH22 ARG 16 5.787 5.415 -11.369
124 H VAL 17 H VAL 17 -0.071 1.847 -7.028
125 HA VAL 17 HA VAL 17 0.819 0.094 -4.951
126 HB VAL 17 HB VAL 17 0.788 -1.658 -6.668
127 HG11 VAL 17 HG11 VAL 17 -1.691 -0.935 -7.522
128 HG12 VAL 17 HG21 VAL 17 -1.485 0.102 -6.110
129 HG13 VAL 17 3HG1 VAL 17 -1.333 -1.647 -5.949
130 HG21 VAL 17 HG12 VAL 17 1.564 0.014 -8.490
131 HG22 VAL 17 HG22 VAL 17 -0.158 0.333 -8.695
132 HG23 VAL 17 HG23 VAL 17 0.471 -1.295 -8.940
133 H ARG 18 H ARG 18 2.769 -0.979 -4.789
134 HA ARG 18 HA ARG 18 4.975 0.128 -6.405
135 HB2 ARG 18 HB2 ARG 18 4.834 -0.543 -3.479
136 HB3 ARG 18 HB1 ARG 18 6.373 -0.486 -4.323
137 HG2 ARG 18 HG2 ARG 18 4.436 1.808 -4.267
138 HG3 ARG 18 HG1 ARG 18 5.733 1.595 -3.089
139 HD2 ARG 18 HD2 ARG 18 7.308 1.473 -5.090
140 HD3 ARG 18 HD1 ARG 18 5.958 2.076 -6.050
141 HE ARG 18 HE ARG 18 6.373 4.153 -5.218
142 HH11 ARG 18 HH11 ARG 18 7.836 1.825 -3.053
143 HH12 ARG 18 HH12 ARG 18 8.486 3.023 -1.987
144 HH21 ARG 18 HH21 ARG 18 7.247 5.748 -3.810
145 HH22 ARG 18 HH22 ARG 18 8.151 5.255 -2.420
146 H GLY 19 H GLY 19 3.749 -2.676 -4.642
147 HA2 GLY 19 HA2 GLY 19 4.408 -4.565 -6.552
148 HA3 GLY 19 HA1 GLY 19 5.793 -4.468 -5.472
149 H THR 20 H THR 20 5.590 -6.443 -4.473
150 HA THR 20 HA THR 20 3.170 -6.785 -2.833
151 HB THR 20 HB THR 20 3.605 -9.285 -3.055
152 HG1 THR 20 HG1 THR 20 5.685 -9.139 -4.004
153 HG21 THR 20 HG12 THR 20 1.684 -8.528 -4.141
154 HG22 THR 20 HG22 THR 20 2.588 -9.318 -5.433
155 HG23 THR 20 HG23 THR 20 2.602 -7.560 -5.296
156 H CYS 21 H CYS 21 3.474 -7.414 -0.747
157 HA CYS 21 HA CYS 21 6.229 -7.359 0.226
158 HB2 CYS 21 HB2 CYS 21 3.604 -7.277 1.731
159 HB3 CYS 21 HB1 CYS 21 5.195 -7.177 2.475
160 H GLY 22 H GLY 22 3.384 -9.430 0.126
161 HA2 GLY 22 HA2 GLY 22 4.790 -11.819 0.081
162 HA3 GLY 22 HA1 GLY 22 4.418 -11.492 1.768
163 H ILE 23 H ILE 23 3.086 -13.353 1.826
164 HA ILE 23 HA ILE 23 0.939 -13.815 0.086
165 HB ILE 23 HB ILE 23 -0.000 -15.217 1.973
166 HG12 ILE 23 HG21 ILE 23 2.609 -14.449 3.310
167 HG13 ILE 23 HG11 ILE 23 1.014 -13.913 3.828
168 HG21 ILE 23 HG12 ILE 23 2.799 -15.628 0.953
169 HG22 ILE 23 HG22 ILE 23 1.294 -16.279 0.303
170 HG23 ILE 23 HG23 ILE 23 1.911 -16.859 1.850
171 HD11 ILE 23 HD11 ILE 23 1.857 -15.741 5.201
172 HD12 ILE 23 HD12 ILE 23 1.970 -16.767 3.771
173 HD13 ILE 23 HD13 ILE 23 0.395 -16.207 4.332
174 H ARG 24 H ARG 24 -0.764 -12.634 -0.246
175 HA ARG 24 HA ARG 24 -2.573 -11.305 0.016
176 HB2 ARG 24 HB2 ARG 24 -3.135 -13.019 1.738
177 HB3 ARG 24 HB1 ARG 24 -2.362 -12.011 2.949
178 HG2 ARG 24 HG2 ARG 24 -4.010 -10.250 2.527
179 HG3 ARG 24 HG1 ARG 24 -4.792 -11.279 1.325
180 HD2 ARG 24 HD2 ARG 24 -5.874 -11.296 3.583
181 HD3 ARG 24 HD1 ARG 24 -5.397 -12.883 2.980
182 HE ARG 24 HE ARG 24 -3.287 -11.910 4.509
183 HH11 ARG 24 HH11 ARG 24 -6.623 -12.841 4.999
184 HH12 ARG 24 HH12 ARG 24 -6.370 -13.393 6.621
185 HH21 ARG 24 HH21 ARG 24 -2.941 -12.635 6.653
186 HH22 ARG 24 HH22 ARG 24 -4.267 -13.273 7.566
187 H PHE 25 H PHE 25 0.232 -10.243 0.372
188 HA PHE 25 HA PHE 25 -0.612 -7.659 1.464
189 HB2 PHE 25 HB2 PHE 25 1.832 -9.175 2.327
190 HB3 PHE 25 HB1 PHE 25 1.785 -7.413 2.370
191 HD1 PHE 25 HD2 PHE 25 -0.021 -10.425 3.611
192 HD2 PHE 25 HD1 PHE 25 0.888 -6.307 4.187
193 HE1 PHE 25 HE2 PHE 25 -1.123 -10.493 5.808
194 HE2 PHE 25 HE1 PHE 25 -0.207 -6.370 6.388
195 HZ PHE 25 HZ PHE 25 -1.218 -8.465 7.201
196 H LEU 26 H LEU 26 0.052 -5.954 0.379
197 HA LEU 26 HA LEU 26 2.030 -6.318 -1.775
198 HB2 LEU 26 HB2 LEU 26 -0.685 -5.030 -1.913
199 HB3 LEU 26 HB1 LEU 26 0.585 -4.584 -3.031
200 HG LEU 26 HG LEU 26 0.694 -7.094 -3.605
201 HD11 LEU 26 HD11 LEU 26 -1.152 -8.450 -3.153
202 HD12 LEU 26 HD12 LEU 26 -2.137 -7.089 -2.614
203 HD13 LEU 26 HD13 LEU 26 -0.804 -7.666 -1.613
204 HD21 LEU 26 HD21 LEU 26 -1.553 -6.722 -4.973
205 HD22 LEU 26 HD22 LEU 26 -0.061 -5.862 -5.353
206 HD23 LEU 26 HD23 LEU 26 -1.317 -5.071 -4.401
207 H TYR 27 H TYR 27 3.288 -4.492 -2.265
208 HA TYR 27 HA TYR 27 3.581 -2.643 -0.059
209 HB2 TYR 27 HB2 TYR 27 5.490 -3.706 -1.424
210 HB3 TYR 27 HB1 TYR 27 5.075 -2.547 -2.680
211 HD1 TYR 27 HD2 TYR 27 4.931 -1.791 0.931
212 HD2 TYR 27 HD1 TYR 27 7.146 -1.373 -2.677
213 HE1 TYR 27 HE2 TYR 27 6.359 -0.104 2.009
214 HE2 TYR 27 HE1 TYR 27 8.580 0.313 -1.610
215 HH TYR 27 HH TYR 27 8.495 0.926 1.781
216 H CYS 28 H CYS 28 2.543 -0.725 0.054
217 HA CYS 28 HA CYS 28 1.640 0.513 -2.462
218 HB2 CYS 28 HB2 CYS 28 0.008 0.422 0.079
219 HB3 CYS 28 HB1 CYS 28 -0.508 0.979 -1.510
220 H CYS 29 H CYS 29 1.293 2.816 -2.343
221 HA CYS 29 HA CYS 29 2.398 4.140 0.025
222 HB2 CYS 29 HB2 CYS 29 3.288 4.771 -2.797
223 HB3 CYS 29 HB1 CYS 29 3.804 5.603 -1.335
224 HA PRO 30 HA PRO 30 -1.439 6.316 -0.753
225 HB2 PRO 30 HB2 PRO 30 -1.047 8.110 1.314
226 HB3 PRO 30 HB1 PRO 30 -1.807 6.525 1.470
227 HG2 PRO 30 HG2 PRO 30 0.989 7.358 2.089
228 HG3 PRO 30 HG1 PRO 30 -0.062 6.217 2.948
229 HD2 PRO 30 HD2 PRO 30 1.929 5.393 1.331
230 HD3 PRO 30 HD1 PRO 30 0.407 4.490 1.487
231 H ARG 31 H ARG 31 -1.957 8.064 -1.889
232 HA ARG 31 HA ARG 31 0.155 9.752 -2.901
233 HB2 ARG 31 HB2 ARG 31 -2.796 9.612 -3.528
234 HB3 ARG 31 HB1 ARG 31 -1.672 10.701 -4.328
235 HG2 ARG 31 HG2 ARG 31 -1.418 7.703 -4.332
236 HG3 ARG 31 HG1 ARG 31 -2.188 8.642 -5.610
237 HD2 ARG 31 HD2 ARG 31 0.678 8.921 -4.712
238 HD3 ARG 31 HD1 ARG 31 0.139 8.051 -6.145
239 HE ARG 31 HE ARG 31 0.587 10.831 -5.931
240 HH11 ARG 31 HH11 ARG 31 -1.666 8.569 -7.384
241 HH12 ARG 31 HH12 ARG 31 -2.074 9.620 -8.698
242 HH21 ARG 31 HH21 ARG 31 0.059 12.216 -7.676
243 HH22 ARG 31 HH22 ARG 31 -1.086 11.696 -8.867
244 H ARG 32 H ARG 32 0.194 10.392 -0.400
245 HA ARG 32 HA ARG 32 -0.654 13.124 -0.339
246 HB2 ARG 32 HB2 ARG 32 -2.682 11.721 0.435
247 HB3 ARG 32 HB1 ARG 32 -1.734 11.396 1.880
248 HG2 ARG 32 HG2 ARG 32 -3.308 13.244 2.198
249 HG3 ARG 32 HG1 ARG 32 -1.630 13.763 2.385
250 HD2 ARG 32 HD2 ARG 32 -3.094 15.314 1.050
251 HD3 ARG 32 HD1 ARG 32 -1.617 14.790 0.242
252 HE ARG 32 HE ARG 32 -2.886 13.718 -1.330
253 HH11 ARG 32 HH11 ARG 32 -4.946 14.579 1.366
254 HH12 ARG 32 HH12 ARG 32 -6.397 14.015 0.607
255 HH21 ARG 32 HH21 ARG 32 -4.787 12.973 -2.336
256 HH22 ARG 32 HH22 ARG 32 -6.307 13.099 -1.514
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -0.889 7.384 5.235
2 H2 GLY 1 HT2 GLY 1 -1.918 8.200 6.302
3 H3 GLY 1 HT3 GLY 1 -0.292 7.969 6.706
4 HA2 GLY 1 HA1 GLY 1 -1.506 10.018 5.110
5 HA3 GLY 1 HA2 GLY 1 0.062 10.005 5.908
6 H LEU 2 H LEU 2 1.074 10.935 4.068
7 HA LEU 2 HA LEU 2 0.962 9.549 1.533
8 HB2 LEU 2 HB2 LEU 2 2.710 11.844 2.424
9 HB3 LEU 2 HB1 LEU 2 2.537 11.270 0.777
10 HG LEU 2 HG LEU 2 0.347 12.525 2.436
11 HD11 LEU 2 HD11 LEU 2 0.556 14.402 0.892
12 HD12 LEU 2 HD12 LEU 2 1.905 13.599 0.089
13 HD13 LEU 2 HD13 LEU 2 2.063 14.124 1.764
14 HD21 LEU 2 HD21 LEU 2 -0.503 12.605 -0.133
15 HD22 LEU 2 HD22 LEU 2 -0.956 11.353 1.024
16 HD23 LEU 2 HD23 LEU 2 0.357 11.065 -0.117
17 H LEU 3 H LEU 3 1.841 7.832 3.486
18 HA LEU 3 HA LEU 3 4.662 7.423 2.757
19 HB2 LEU 3 HB2 LEU 3 3.306 6.927 5.408
20 HB3 LEU 3 HB1 LEU 3 4.826 6.173 4.978
21 HG LEU 3 HG LEU 3 5.404 7.999 6.328
22 HD11 LEU 3 HD11 LEU 3 5.713 8.892 3.471
23 HD12 LEU 3 HD12 LEU 3 6.803 7.832 4.364
24 HD13 LEU 3 HD13 LEU 3 6.621 9.517 4.847
25 HD21 LEU 3 HD21 LEU 3 4.592 10.365 5.561
26 HD22 LEU 3 HD22 LEU 3 3.571 9.350 6.581
27 HD23 LEU 3 HD23 LEU 3 3.265 9.449 4.846
28 H CYS 4 H CYS 4 5.206 5.390 2.106
29 HA CYS 4 HA CYS 4 3.136 3.707 1.163
30 HB2 CYS 4 HB2 CYS 4 6.089 3.123 1.419
31 HB3 CYS 4 HB1 CYS 4 4.940 2.237 0.424
32 H TYR 5 H TYR 5 2.386 1.761 1.870
33 HA TYR 5 HA TYR 5 3.572 0.420 4.129
34 HB2 TYR 5 HB2 TYR 5 1.400 0.434 5.435
35 HB3 TYR 5 HB1 TYR 5 2.294 1.947 5.429
36 HD1 TYR 5 HD1 TYR 5 -0.360 0.306 3.339
37 HD2 TYR 5 HD2 TYR 5 1.026 3.844 5.251
38 HE1 TYR 5 HE1 TYR 5 -2.372 1.495 2.584
39 HE2 TYR 5 HE2 TYR 5 -0.983 5.042 4.500
40 HH TYR 5 HH TYR 5 -2.906 4.069 2.093
41 H CYS 6 H CYS 6 2.670 -1.703 4.452
42 HA CYS 6 HA CYS 6 1.777 -2.817 1.964
43 HB2 CYS 6 HB2 CYS 6 2.316 -4.124 4.634
44 HB3 CYS 6 HB1 CYS 6 1.964 -4.990 3.142
45 H GLY 7 H GLY 7 -0.233 -2.922 1.354
46 HA2 GLY 7 HA2 GLY 7 -2.426 -2.758 3.247
47 HA3 GLY 7 HA1 GLY 7 -2.549 -2.762 1.490
48 H LYS 8 H LYS 8 -4.004 -4.356 3.506
49 HA LYS 8 HA LYS 8 -3.022 -7.052 3.070
50 HB2 LYS 8 HB2 LYS 8 -5.429 -6.057 4.606
51 HB3 LYS 8 HB1 LYS 8 -4.882 -7.727 4.550
52 HG2 LYS 8 HG2 LYS 8 -2.780 -7.071 5.618
53 HG3 LYS 8 HG1 LYS 8 -3.342 -5.400 5.683
54 HD2 LYS 8 HD2 LYS 8 -4.689 -7.748 7.019
55 HD3 LYS 8 HD1 LYS 8 -3.644 -6.577 7.827
56 HE2 LYS 8 HE2 LYS 8 -5.200 -4.784 7.241
57 HE3 LYS 8 HE1 LYS 8 -6.239 -5.949 6.421
58 HZ1 LYS 8 HZ1 LYS 8 -5.868 -6.970 8.941
59 HZ2 LYS 8 HZ2 LYS 8 -7.259 -6.203 8.360
60 HZ3 LYS 8 HZ3 LYS 8 -6.086 -5.310 9.191
61 H GLY 9 H GLY 9 -3.641 -8.243 1.427
62 HA2 GLY 9 HA2 GLY 9 -5.018 -9.217 -0.142
63 HA3 GLY 9 HA1 GLY 9 -6.354 -8.279 0.501
64 H HIS 10 H HIS 10 -5.367 -5.669 0.094
65 HA HIS 10 HA HIS 10 -4.389 -5.243 -2.523
66 HB2 HIS 10 HB2 HIS 10 -6.381 -4.581 -3.719
67 HB3 HIS 10 HB1 HIS 10 -6.607 -6.225 -3.136
68 HD1 HIS 10 HD1 HIS 10 -7.871 -6.106 -0.547
69 HD2 HIS 10 HD2 HIS 10 -8.632 -3.151 -3.369
70 HE1 HIS 10 HE1 HIS 10 -10.050 -5.061 0.145
71 HE2 HIS 10 HE2 HIS 10 -10.410 -3.179 -1.491
72 H CYS 11 H CYS 11 -4.408 -3.002 -3.137
73 HA CYS 11 HA CYS 11 -4.273 -1.252 -0.861
74 HB2 CYS 11 HB2 CYS 11 -3.927 -0.592 -3.789
75 HB3 CYS 11 HB1 CYS 11 -3.445 0.406 -2.429
76 H LYS 12 H LYS 12 -5.285 0.903 -0.933
77 HA LYS 12 HA LYS 12 -8.115 0.646 -1.537
78 HB2 LYS 12 HB2 LYS 12 -6.587 2.879 -0.182
79 HB3 LYS 12 HB1 LYS 12 -8.337 2.760 -0.291
80 HG2 LYS 12 HG2 LYS 12 -8.315 0.745 1.056
81 HG3 LYS 12 HG1 LYS 12 -6.552 0.783 1.114
82 HD2 LYS 12 HD2 LYS 12 -8.388 2.906 2.224
83 HD3 LYS 12 HD1 LYS 12 -7.567 1.666 3.172
84 HE2 LYS 12 HE2 LYS 12 -6.231 3.805 1.515
85 HE3 LYS 12 HE1 LYS 12 -6.384 3.806 3.271
86 HZ1 LYS 12 HZ1 LYS 12 -4.684 2.125 1.550
87 HZ2 LYS 12 HZ2 LYS 12 -5.178 1.537 3.061
88 HZ3 LYS 12 HZ3 LYS 12 -4.282 2.971 2.965
89 H ARG 13 H ARG 13 -9.275 2.054 -2.860
90 HA ARG 13 HA ARG 13 -8.008 2.865 -5.239
91 HB2 ARG 13 HB2 ARG 13 -10.380 2.199 -5.112
92 HB3 ARG 13 HB1 ARG 13 -10.732 3.652 -4.189
93 HG2 ARG 13 HG2 ARG 13 -11.379 3.896 -6.525
94 HG3 ARG 13 HG1 ARG 13 -10.104 5.036 -6.087
95 HD2 ARG 13 HD2 ARG 13 -8.440 3.516 -7.086
96 HD3 ARG 13 HD1 ARG 13 -9.744 2.432 -7.568
97 HE ARG 13 HE ARG 13 -10.317 4.958 -8.597
98 HH11 ARG 13 HH11 ARG 13 -7.911 2.451 -8.993
99 HH12 ARG 13 HH12 ARG 13 -7.581 2.842 -10.647
100 HH21 ARG 13 HH21 ARG 13 -9.889 5.486 -10.788
101 HH22 ARG 13 HH22 ARG 13 -8.712 4.575 -11.673
102 H GLY 14 H GLY 14 -6.321 4.196 -4.511
103 HA2 GLY 14 HA2 GLY 14 -6.652 6.917 -4.832
104 HA3 GLY 14 HA1 GLY 14 -6.728 6.621 -3.097
105 H GLU 15 H GLU 15 -4.955 4.334 -3.190
106 HA GLU 15 HA GLU 15 -2.445 5.822 -3.406
107 HB2 GLU 15 HB2 GLU 15 -1.521 3.820 -2.141
108 HB3 GLU 15 HB1 GLU 15 -2.625 4.873 -1.280
109 HG2 GLU 15 HG2 GLU 15 -4.396 3.120 -2.172
110 HG3 GLU 15 HG1 GLU 15 -2.971 2.084 -2.193
111 H ARG 16 H ARG 16 -0.589 4.852 -4.335
112 HA ARG 16 HA ARG 16 -1.306 3.163 -6.629
113 HB2 ARG 16 HB2 ARG 16 0.764 3.977 -7.674
114 HB3 ARG 16 HB1 ARG 16 -0.310 5.293 -7.230
115 HG2 ARG 16 HG2 ARG 16 1.058 5.688 -5.215
116 HG3 ARG 16 HG1 ARG 16 2.163 4.420 -5.753
117 HD2 ARG 16 HD2 ARG 16 1.504 6.948 -7.261
118 HD3 ARG 16 HD1 ARG 16 2.984 6.647 -6.351
119 HE ARG 16 HE ARG 16 2.733 4.590 -8.199
120 HH11 ARG 16 HH11 ARG 16 3.132 8.063 -8.238
121 HH12 ARG 16 HH12 ARG 16 3.999 8.083 -9.736
122 HH21 ARG 16 HH21 ARG 16 3.876 4.601 -10.187
123 HH22 ARG 16 HH22 ARG 16 4.422 6.105 -10.852
124 H VAL 17 H VAL 17 -0.253 1.291 -7.096
125 HA VAL 17 HA VAL 17 0.854 -0.143 -4.915
126 HB VAL 17 HB VAL 17 1.189 -1.977 -6.520
127 HG11 VAL 17 HG11 VAL 17 -1.355 -1.685 -7.467
128 HG12 VAL 17 HG21 VAL 17 -1.344 -0.581 -6.091
129 HG13 VAL 17 3HG1 VAL 17 -0.929 -2.280 -5.861
130 HG21 VAL 17 HG12 VAL 17 1.314 -1.710 -8.734
131 HG22 VAL 17 HG22 VAL 17 1.441 0.019 -8.411
132 HG23 VAL 17 HG23 VAL 17 -0.129 -0.698 -8.774
133 H ARG 18 H ARG 18 2.910 -0.837 -4.524
134 HA ARG 18 HA ARG 18 5.043 0.509 -6.058
135 HB2 ARG 18 HB2 ARG 18 4.503 0.931 -3.470
136 HB3 ARG 18 HB1 ARG 18 5.515 -0.490 -3.287
137 HG2 ARG 18 HG2 ARG 18 6.397 1.962 -4.789
138 HG3 ARG 18 HG1 ARG 18 6.660 1.743 -3.062
139 HD2 ARG 18 HD2 ARG 18 8.652 0.988 -3.926
140 HD3 ARG 18 HD1 ARG 18 7.739 -0.514 -3.797
141 HE ARG 18 HE ARG 18 7.744 -0.691 -6.077
142 HH11 ARG 18 HH11 ARG 18 8.741 2.549 -5.194
143 HH12 ARG 18 HH12 ARG 18 9.128 3.013 -6.818
144 HH21 ARG 18 HH21 ARG 18 8.242 -0.088 -8.216
145 HH22 ARG 18 HH22 ARG 18 8.842 1.503 -8.547
146 H GLY 19 H GLY 19 4.245 -2.407 -4.192
147 HA2 GLY 19 HA2 GLY 19 5.257 -4.212 -6.085
148 HA3 GLY 19 HA1 GLY 19 6.507 -3.924 -4.879
149 H THR 20 H THR 20 5.939 -6.392 -4.724
150 HA THR 20 HA THR 20 3.576 -6.881 -3.101
151 HB THR 20 HB THR 20 4.471 -9.270 -3.142
152 HG1 THR 20 HG1 THR 20 6.632 -8.704 -3.741
153 HG21 THR 20 HG12 THR 20 2.863 -7.917 -4.868
154 HG22 THR 20 HG22 THR 20 3.183 -9.650 -4.958
155 HG23 THR 20 HG23 THR 20 4.100 -8.530 -5.967
156 H CYS 21 H CYS 21 3.579 -7.418 -0.953
157 HA CYS 21 HA CYS 21 6.113 -6.979 0.464
158 HB2 CYS 21 HB2 CYS 21 3.262 -7.012 1.469
159 HB3 CYS 21 HB1 CYS 21 4.670 -6.829 2.508
160 H GLY 22 H GLY 22 3.446 -9.278 0.191
161 HA2 GLY 22 HA2 GLY 22 4.997 -11.559 0.446
162 HA3 GLY 22 HA1 GLY 22 4.461 -11.142 2.069
163 H ILE 23 H ILE 23 3.261 -13.117 2.107
164 HA ILE 23 HA ILE 23 1.273 -13.756 0.232
165 HB ILE 23 HB ILE 23 0.279 -15.156 2.080
166 HG12 ILE 23 HG21 ILE 23 2.746 -14.237 3.580
167 HG13 ILE 23 HG11 ILE 23 1.096 -13.759 3.968
168 HG21 ILE 23 HG12 ILE 23 1.571 -16.543 0.894
169 HG22 ILE 23 HG22 ILE 23 2.707 -16.401 2.235
170 HG23 ILE 23 HG23 ILE 23 2.898 -15.385 0.807
171 HD11 ILE 23 HD11 ILE 23 1.452 -15.443 5.474
172 HD12 ILE 23 HD12 ILE 23 2.456 -16.375 4.363
173 HD13 ILE 23 HD13 ILE 23 0.706 -16.333 4.146
174 H ARG 24 H ARG 24 -0.377 -12.593 -0.272
175 HA ARG 24 HA ARG 24 -2.283 -11.373 -0.201
176 HB2 ARG 24 HB2 ARG 24 -2.299 -12.015 2.752
177 HB3 ARG 24 HB1 ARG 24 -3.650 -11.378 1.827
178 HG2 ARG 24 HG2 ARG 24 -3.863 -13.400 0.594
179 HG3 ARG 24 HG1 ARG 24 -2.349 -14.027 1.252
180 HD2 ARG 24 HD2 ARG 24 -4.890 -13.472 2.780
181 HD3 ARG 24 HD1 ARG 24 -4.222 -15.057 2.384
182 HE ARG 24 HE ARG 24 -2.294 -13.604 3.810
183 HH11 ARG 24 HH11 ARG 24 -5.412 -15.105 4.321
184 HH12 ARG 24 HH12 ARG 24 -5.139 -15.407 6.003
185 HH21 ARG 24 HH21 ARG 24 -1.921 -13.995 6.032
186 HH22 ARG 24 HH22 ARG 24 -3.144 -14.772 6.982
187 H PHE 25 H PHE 25 0.422 -10.165 0.399
188 HA PHE 25 HA PHE 25 -0.650 -7.659 1.507
189 HB2 PHE 25 HB2 PHE 25 1.931 -8.999 2.250
190 HB3 PHE 25 HB1 PHE 25 1.758 -7.249 2.340
191 HD1 PHE 25 HD2 PHE 25 -0.061 -10.326 3.442
192 HD2 PHE 25 HD1 PHE 25 1.132 -6.342 4.336
193 HE1 PHE 25 HE2 PHE 25 -1.066 -10.532 5.677
194 HE2 PHE 25 HE1 PHE 25 0.134 -6.541 6.575
195 HZ PHE 25 HZ PHE 25 -0.970 -8.638 7.248
196 H LEU 26 H LEU 26 -0.166 -5.869 0.466
197 HA LEU 26 HA LEU 26 1.803 -5.975 -1.726
198 HB2 LEU 26 HB2 LEU 26 -0.608 -6.273 -2.474
199 HB3 LEU 26 HB1 LEU 26 -0.896 -4.636 -1.921
200 HG LEU 26 HG LEU 26 0.857 -3.864 -3.546
201 HD11 LEU 26 HD11 LEU 26 0.785 -5.946 -5.400
202 HD12 LEU 26 HD12 LEU 26 1.164 -6.710 -3.856
203 HD13 LEU 26 HD13 LEU 26 2.175 -5.398 -4.463
204 HD21 LEU 26 HD21 LEU 26 -0.613 -4.134 -5.520
205 HD22 LEU 26 HD22 LEU 26 -1.480 -3.624 -4.071
206 HD23 LEU 26 HD23 LEU 26 -1.570 -5.302 -4.609
207 H TYR 27 H TYR 27 3.029 -4.132 -1.934
208 HA TYR 27 HA TYR 27 2.896 -2.222 0.216
209 HB2 TYR 27 HB2 TYR 27 4.977 -3.216 -1.097
210 HB3 TYR 27 HB1 TYR 27 4.675 -1.849 -2.163
211 HD1 TYR 27 HD1 TYR 27 4.221 -1.892 1.517
212 HD2 TYR 27 HD2 TYR 27 6.608 -0.562 -1.743
213 HE1 TYR 27 HE1 TYR 27 5.498 -0.454 3.047
214 HE2 TYR 27 HE2 TYR 27 7.890 0.881 -0.222
215 HH TYR 27 HH TYR 27 7.028 1.171 3.202
216 H CYS 28 H CYS 28 1.647 -0.480 0.183
217 HA CYS 28 HA CYS 28 0.849 0.634 -2.427
218 HB2 CYS 28 HB2 CYS 28 -0.684 0.954 0.147
219 HB3 CYS 28 HB1 CYS 28 -1.258 1.185 -1.500
220 H CYS 29 H CYS 29 1.049 2.811 -2.763
221 HA CYS 29 HA CYS 29 2.163 4.402 -0.544
222 HB2 CYS 29 HB2 CYS 29 2.908 4.555 -3.472
223 HB3 CYS 29 HB1 CYS 29 3.510 5.625 -2.212
224 HA PRO 30 HA PRO 30 -1.547 6.692 -1.777
225 HB2 PRO 30 HB2 PRO 30 -1.282 8.018 0.789
226 HB3 PRO 30 HB1 PRO 30 -2.558 6.935 0.233
227 HG2 PRO 30 HG2 PRO 30 -0.777 6.264 2.179
228 HG3 PRO 30 HG1 PRO 30 -1.546 5.078 1.109
229 HD2 PRO 30 HD2 PRO 30 1.200 6.262 0.968
230 HD3 PRO 30 HD1 PRO 30 0.675 4.591 0.670
231 H ARG 31 H ARG 31 -1.534 8.547 -2.880
232 HA ARG 31 HA ARG 31 -0.259 10.918 -2.025
233 HB2 ARG 31 HB2 ARG 31 1.676 9.396 -2.850
234 HB3 ARG 31 HB1 ARG 31 1.061 9.743 -4.459
235 HG2 ARG 31 HG2 ARG 31 1.502 12.062 -4.223
236 HG3 ARG 31 HG1 ARG 31 1.840 11.884 -2.499
237 HD2 ARG 31 HD2 ARG 31 3.470 10.831 -4.807
238 HD3 ARG 31 HD1 ARG 31 3.930 12.085 -3.656
239 HE ARG 31 HE ARG 31 4.191 9.276 -3.314
240 HH11 ARG 31 HH11 ARG 31 3.645 12.250 -1.550
241 HH12 ARG 31 HH12 ARG 31 4.116 11.581 -0.023
242 HH21 ARG 31 HH21 ARG 31 4.810 8.391 -1.293
243 HH22 ARG 31 HH22 ARG 31 4.759 9.383 0.130
244 H ARG 32 H ARG 32 -2.197 11.853 -2.520
245 HA ARG 32 HA ARG 32 -2.592 12.761 -5.164
246 HB2 ARG 32 HB2 ARG 32 -4.978 11.780 -5.322
247 HB3 ARG 32 HB1 ARG 32 -3.631 10.741 -5.754
248 HG2 ARG 32 HG2 ARG 32 -5.175 9.457 -4.479
249 HG3 ARG 32 HG1 ARG 32 -3.753 9.739 -3.476
250 HD2 ARG 32 HD2 ARG 32 -5.668 10.044 -2.102
251 HD3 ARG 32 HD1 ARG 32 -4.984 11.638 -2.413
252 HE ARG 32 HE ARG 32 -7.276 10.633 -3.960
253 HH11 ARG 32 HH11 ARG 32 -5.709 13.129 -2.078
254 HH12 ARG 32 HH12 ARG 32 -7.077 14.194 -2.115
255 HH21 ARG 32 HH21 ARG 32 -9.090 12.042 -4.018
256 HH22 ARG 32 HH22 ARG 32 -9.003 13.576 -3.222
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -2.847 10.920 2.624
2 H2 GLY 1 HT2 GLY 1 -2.997 9.690 3.783
3 H3 GLY 1 HT3 GLY 1 -2.301 9.358 2.275
4 HA2 GLY 1 HA1 GLY 1 -1.024 11.471 3.782
5 HA3 GLY 1 HA2 GLY 1 -0.883 9.860 4.475
6 H LEU 2 H LEU 2 0.932 11.833 2.919
7 HA LEU 2 HA LEU 2 1.693 10.357 0.582
8 HB2 LEU 2 HB2 LEU 2 2.815 12.753 2.000
9 HB3 LEU 2 HB1 LEU 2 3.703 11.982 0.704
10 HG LEU 2 HG LEU 2 2.533 13.875 -0.183
11 HD11 LEU 2 HD11 LEU 2 2.565 11.562 -1.380
12 HD12 LEU 2 HD12 LEU 2 1.620 12.895 -2.043
13 HD13 LEU 2 HD13 LEU 2 0.823 11.623 -1.117
14 HD21 LEU 2 HD21 LEU 2 0.182 12.718 1.252
15 HD22 LEU 2 HD22 LEU 2 -0.059 13.725 -0.175
16 HD23 LEU 2 HD23 LEU 2 0.780 14.378 1.232
17 H LEU 3 H LEU 3 1.880 8.358 2.125
18 HA LEU 3 HA LEU 3 4.718 7.905 2.445
19 HB2 LEU 3 HB2 LEU 3 4.707 7.218 4.714
20 HB3 LEU 3 HB1 LEU 3 3.971 8.805 4.662
21 HG LEU 3 HG LEU 3 2.302 6.299 4.741
22 HD11 LEU 3 HD11 LEU 3 2.282 6.310 7.080
23 HD12 LEU 3 HD12 LEU 3 3.054 7.894 7.168
24 HD13 LEU 3 HD13 LEU 3 3.984 6.486 6.654
25 HD21 LEU 3 HD21 LEU 3 0.759 7.973 5.917
26 HD22 LEU 3 HD22 LEU 3 0.971 8.137 4.174
27 HD23 LEU 3 HD23 LEU 3 1.832 9.216 5.273
28 H CYS 4 H CYS 4 5.262 5.879 1.960
29 HA CYS 4 HA CYS 4 3.246 4.109 0.961
30 HB2 CYS 4 HB2 CYS 4 6.214 3.658 1.329
31 HB3 CYS 4 HB1 CYS 4 5.128 2.642 0.389
32 H TYR 5 H TYR 5 2.562 2.147 1.794
33 HA TYR 5 HA TYR 5 3.785 1.096 4.180
34 HB2 TYR 5 HB2 TYR 5 1.517 1.041 5.389
35 HB3 TYR 5 HB1 TYR 5 2.431 2.539 5.407
36 HD1 TYR 5 HD1 TYR 5 -0.028 1.006 3.004
37 HD2 TYR 5 HD2 TYR 5 1.067 4.358 5.386
38 HE1 TYR 5 HE1 TYR 5 -2.011 2.223 2.200
39 HE2 TYR 5 HE2 TYR 5 -0.907 5.582 4.588
40 HH TYR 5 HH TYR 5 -3.044 4.221 2.114
41 H CYS 6 H CYS 6 2.652 -0.931 4.899
42 HA CYS 6 HA CYS 6 2.253 -2.549 2.566
43 HB2 CYS 6 HB2 CYS 6 3.571 -3.287 4.536
44 HB3 CYS 6 HB1 CYS 6 2.092 -3.310 5.487
45 H GLY 7 H GLY 7 0.390 -2.872 1.604
46 HA2 GLY 7 HA2 GLY 7 -2.113 -2.375 3.034
47 HA3 GLY 7 HA1 GLY 7 -1.921 -2.521 1.291
48 H LYS 8 H LYS 8 -3.606 -3.922 3.437
49 HA LYS 8 HA LYS 8 -2.751 -6.680 3.092
50 HB2 LYS 8 HB2 LYS 8 -5.118 -5.545 4.594
51 HB3 LYS 8 HB1 LYS 8 -4.595 -7.223 4.621
52 HG2 LYS 8 HG2 LYS 8 -2.488 -6.553 5.658
53 HG3 LYS 8 HG1 LYS 8 -3.013 -4.869 5.632
54 HD2 LYS 8 HD2 LYS 8 -3.497 -5.558 7.807
55 HD3 LYS 8 HD1 LYS 8 -5.045 -5.697 6.977
56 HE2 LYS 8 HE2 LYS 8 -3.132 -7.990 7.402
57 HE3 LYS 8 HE1 LYS 8 -4.489 -7.625 8.463
58 HZ1 LYS 8 HZ1 LYS 8 -5.395 -7.757 5.799
59 HZ2 LYS 8 HZ2 LYS 8 -5.823 -8.735 7.110
60 HZ3 LYS 8 HZ3 LYS 8 -4.501 -9.154 6.142
61 H GLY 9 H GLY 9 -3.392 -7.815 1.389
62 HA2 GLY 9 HA2 GLY 9 -4.835 -8.767 -0.136
63 HA3 GLY 9 HA1 GLY 9 -6.140 -7.818 0.555
64 H HIS 10 H HIS 10 -5.189 -5.231 0.149
65 HA HIS 10 HA HIS 10 -4.264 -4.776 -2.487
66 HB2 HIS 10 HB2 HIS 10 -6.301 -4.016 -3.577
67 HB3 HIS 10 HB1 HIS 10 -6.499 -5.690 -3.078
68 HD1 HIS 10 HD1 HIS 10 -7.487 -2.198 -1.919
69 HD2 HIS 10 HD2 HIS 10 -8.723 -6.160 -1.587
70 HE1 HIS 10 HE1 HIS 10 -9.684 -2.124 -0.696
71 HE2 HIS 10 HE2 HIS 10 -10.324 -4.538 -0.365
72 H CYS 11 H CYS 11 -4.274 -2.510 -3.044
73 HA CYS 11 HA CYS 11 -3.975 -0.845 -0.724
74 HB2 CYS 11 HB2 CYS 11 -3.829 -0.047 -3.637
75 HB3 CYS 11 HB1 CYS 11 -3.166 0.832 -2.266
76 H LYS 12 H LYS 12 -4.946 1.349 -0.690
77 HA LYS 12 HA LYS 12 -7.820 1.154 -1.140
78 HB2 LYS 12 HB2 LYS 12 -7.020 1.951 1.035
79 HB3 LYS 12 HB1 LYS 12 -6.137 3.254 0.254
80 HG2 LYS 12 HG2 LYS 12 -8.190 4.302 -0.431
81 HG3 LYS 12 HG1 LYS 12 -9.130 2.942 0.181
82 HD2 LYS 12 HD2 LYS 12 -9.226 4.798 1.743
83 HD3 LYS 12 HD1 LYS 12 -8.353 3.446 2.460
84 HE2 LYS 12 HE2 LYS 12 -6.818 5.575 1.040
85 HE3 LYS 12 HE1 LYS 12 -7.447 5.908 2.651
86 HZ1 LYS 12 HZ1 LYS 12 -5.339 4.056 1.814
87 HZ2 LYS 12 HZ2 LYS 12 -6.311 3.588 3.119
88 HZ3 LYS 12 HZ3 LYS 12 -5.439 5.032 3.194
89 H ARG 13 H ARG 13 -8.997 2.800 -2.304
90 HA ARG 13 HA ARG 13 -8.020 3.422 -4.808
91 HB2 ARG 13 HB2 ARG 13 -10.405 3.460 -4.244
92 HB3 ARG 13 HB1 ARG 13 -10.158 4.884 -3.243
93 HG2 ARG 13 HG2 ARG 13 -9.457 6.132 -5.258
94 HG3 ARG 13 HG1 ARG 13 -9.827 4.708 -6.231
95 HD2 ARG 13 HD2 ARG 13 -11.797 6.191 -4.493
96 HD3 ARG 13 HD1 ARG 13 -11.652 6.370 -6.239
97 HE ARG 13 HE ARG 13 -12.999 4.290 -4.828
98 HH11 ARG 13 HH11 ARG 13 -11.268 5.010 -7.788
99 HH12 ARG 13 HH12 ARG 13 -11.975 3.701 -8.675
100 HH21 ARG 13 HH21 ARG 13 -13.944 2.561 -6.001
101 HH22 ARG 13 HH22 ARG 13 -13.502 2.306 -7.656
102 H GLY 14 H GLY 14 -6.411 4.702 -5.400
103 HA2 GLY 14 HA2 GLY 14 -5.736 7.075 -5.600
104 HA3 GLY 14 HA1 GLY 14 -5.948 7.179 -3.858
105 H GLU 15 H GLU 15 -4.800 4.453 -3.555
106 HA GLU 15 HA GLU 15 -2.026 5.272 -3.374
107 HB2 GLU 15 HB2 GLU 15 -3.295 2.643 -2.599
108 HB3 GLU 15 HB1 GLU 15 -1.728 3.252 -2.084
109 HG2 GLU 15 HG2 GLU 15 -2.742 4.963 -0.781
110 HG3 GLU 15 HG1 GLU 15 -4.335 4.598 -1.445
111 H ARG 16 H ARG 16 -0.362 4.500 -4.593
112 HA ARG 16 HA ARG 16 -1.102 2.741 -6.824
113 HB2 ARG 16 HB2 ARG 16 -0.052 4.876 -7.445
114 HB3 ARG 16 HB1 ARG 16 1.348 4.481 -6.455
115 HG2 ARG 16 HG2 ARG 16 1.772 2.521 -7.894
116 HG3 ARG 16 HG1 ARG 16 0.422 3.015 -8.917
117 HD2 ARG 16 HD2 ARG 16 1.554 5.115 -9.415
118 HD3 ARG 16 HD1 ARG 16 2.890 4.657 -8.359
119 HE ARG 16 HE ARG 16 3.738 3.400 -10.055
120 HH11 ARG 16 HH11 ARG 16 0.353 3.988 -10.749
121 HH12 ARG 16 HH12 ARG 16 0.395 3.193 -12.286
122 HH21 ARG 16 HH21 ARG 16 3.797 2.346 -12.086
123 HH22 ARG 16 HH22 ARG 16 2.360 2.256 -13.049
124 H VAL 17 H VAL 17 -0.315 0.719 -6.961
125 HA VAL 17 HA VAL 17 0.990 -0.445 -4.745
126 HB VAL 17 HB VAL 17 -0.477 -1.793 -6.114
127 HG11 VAL 17 HG11 VAL 17 0.893 -0.595 -8.282
128 HG12 VAL 17 HG21 VAL 17 -0.511 -1.660 -8.324
129 HG13 VAL 17 3HG1 VAL 17 1.114 -2.340 -8.405
130 HG21 VAL 17 HG12 VAL 17 2.146 -2.554 -5.364
131 HG22 VAL 17 HG22 VAL 17 1.767 -3.360 -6.886
132 HG23 VAL 17 HG23 VAL 17 0.704 -3.561 -5.493
133 H ARG 18 H ARG 18 3.064 -0.672 -4.275
134 HA ARG 18 HA ARG 18 5.042 0.334 -6.187
135 HB2 ARG 18 HB2 ARG 18 4.777 1.072 -3.676
136 HB3 ARG 18 HB1 ARG 18 5.670 -0.404 -3.346
137 HG2 ARG 18 HG2 ARG 18 6.656 1.773 -5.177
138 HG3 ARG 18 HG1 ARG 18 7.058 1.667 -3.463
139 HD2 ARG 18 HD2 ARG 18 7.638 -0.471 -5.509
140 HD3 ARG 18 HD1 ARG 18 8.803 0.727 -4.947
141 HE ARG 18 HE ARG 18 7.963 -0.438 -2.655
142 HH11 ARG 18 HH11 ARG 18 9.133 -1.747 -5.674
143 HH12 ARG 18 HH12 ARG 18 9.948 -3.085 -4.935
144 HH21 ARG 18 HH21 ARG 18 9.033 -2.210 -1.659
145 HH22 ARG 18 HH22 ARG 18 9.887 -3.353 -2.640
146 H GLY 19 H GLY 19 4.194 -2.491 -4.275
147 HA2 GLY 19 HA2 GLY 19 5.200 -4.366 -6.046
148 HA3 GLY 19 HA1 GLY 19 6.497 -4.027 -4.908
149 H THR 20 H THR 20 6.335 -6.228 -4.208
150 HA THR 20 HA THR 20 3.900 -7.036 -2.859
151 HB THR 20 HB THR 20 5.400 -9.105 -2.356
152 HG1 THR 20 HG1 THR 20 7.308 -9.127 -3.298
153 HG21 THR 20 HG12 THR 20 4.844 -10.068 -4.509
154 HG22 THR 20 HG22 THR 20 4.649 -8.461 -5.211
155 HG23 THR 20 HG23 THR 20 3.524 -9.027 -3.975
156 H CYS 21 H CYS 21 3.797 -7.613 -0.662
157 HA CYS 21 HA CYS 21 5.902 -6.420 1.022
158 HB2 CYS 21 HB2 CYS 21 3.929 -5.048 1.169
159 HB3 CYS 21 HB1 CYS 21 2.905 -6.455 1.421
160 H GLY 22 H GLY 22 3.446 -8.955 0.741
161 HA2 GLY 22 HA2 GLY 22 5.083 -10.963 1.808
162 HA3 GLY 22 HA1 GLY 22 4.055 -10.353 3.100
163 H ILE 23 H ILE 23 3.055 -12.462 3.182
164 HA ILE 23 HA ILE 23 1.729 -13.572 0.945
165 HB ILE 23 HB ILE 23 0.412 -14.876 2.657
166 HG12 ILE 23 HG21 ILE 23 2.311 -13.508 4.583
167 HG13 ILE 23 HG11 ILE 23 0.578 -13.217 4.494
168 HG21 ILE 23 HG12 ILE 23 3.267 -15.254 3.333
169 HG22 ILE 23 HG22 ILE 23 2.837 -15.295 1.622
170 HG23 ILE 23 HG23 ILE 23 2.074 -16.414 2.751
171 HD11 ILE 23 HD11 ILE 23 0.153 -15.527 5.143
172 HD12 ILE 23 HD12 ILE 23 1.141 -14.689 6.341
173 HD13 ILE 23 HD13 ILE 23 1.890 -15.826 5.220
174 H ARG 24 H ARG 24 0.184 -12.626 -0.103
175 HA ARG 24 HA ARG 24 -1.713 -11.512 -0.659
176 HB2 ARG 24 HB2 ARG 24 -2.483 -12.194 2.185
177 HB3 ARG 24 HB1 ARG 24 -3.575 -11.446 1.030
178 HG2 ARG 24 HG2 ARG 24 -2.277 -14.146 0.713
179 HG3 ARG 24 HG1 ARG 24 -3.941 -13.855 1.223
180 HD2 ARG 24 HD2 ARG 24 -4.331 -12.684 -0.938
181 HD3 ARG 24 HD1 ARG 24 -2.708 -13.155 -1.439
182 HE ARG 24 HE ARG 24 -5.044 -14.764 -1.499
183 HH11 ARG 24 HH11 ARG 24 -1.588 -14.952 -0.962
184 HH12 ARG 24 HH12 ARG 24 -1.480 -16.626 -1.391
185 HH21 ARG 24 HH21 ARG 24 -4.906 -16.974 -2.068
186 HH22 ARG 24 HH22 ARG 24 -3.372 -17.778 -2.023
187 H PHE 25 H PHE 25 0.640 -10.205 0.652
188 HA PHE 25 HA PHE 25 -0.680 -7.678 1.416
189 HB2 PHE 25 HB2 PHE 25 1.829 -8.951 2.508
190 HB3 PHE 25 HB1 PHE 25 1.536 -7.224 2.643
191 HD1 PHE 25 HD1 PHE 25 -1.340 -9.439 2.900
192 HD2 PHE 25 HD2 PHE 25 1.740 -7.469 5.071
193 HE1 PHE 25 HE1 PHE 25 -2.572 -9.827 4.991
194 HE2 PHE 25 HE2 PHE 25 0.512 -7.851 7.166
195 HZ PHE 25 HZ PHE 25 -1.646 -9.033 7.129
196 H LEU 26 H LEU 26 0.112 -5.823 0.480
197 HA LEU 26 HA LEU 26 2.415 -6.073 -1.311
198 HB2 LEU 26 HB2 LEU 26 1.299 -5.056 -3.172
199 HB3 LEU 26 HB1 LEU 26 0.395 -6.471 -2.679
200 HG LEU 26 HG LEU 26 -0.392 -3.664 -1.895
201 HD11 LEU 26 HD11 LEU 26 -0.326 -4.340 -4.438
202 HD12 LEU 26 HD12 LEU 26 -1.694 -3.453 -3.766
203 HD13 LEU 26 HD13 LEU 26 -1.810 -5.195 -4.017
204 HD21 LEU 26 HD21 LEU 26 -1.343 -5.367 -0.469
205 HD22 LEU 26 HD22 LEU 26 -1.865 -6.297 -1.874
206 HD23 LEU 26 HD23 LEU 26 -2.596 -4.728 -1.534
207 H TYR 27 H TYR 27 3.484 -4.122 -1.751
208 HA TYR 27 HA TYR 27 3.216 -2.167 0.353
209 HB2 TYR 27 HB2 TYR 27 5.381 -3.091 -0.833
210 HB3 TYR 27 HB1 TYR 27 5.038 -1.824 -2.004
211 HD1 TYR 27 HD2 TYR 27 4.614 -1.767 1.696
212 HD2 TYR 27 HD1 TYR 27 6.739 -0.265 -1.669
213 HE1 TYR 27 HE2 TYR 27 5.760 -0.150 3.150
214 HE2 TYR 27 HE1 TYR 27 7.892 1.355 -0.225
215 HH TYR 27 HH TYR 27 6.975 1.835 3.105
216 H CYS 28 H CYS 28 2.074 -0.312 0.227
217 HA CYS 28 HA CYS 28 1.179 0.535 -2.451
218 HB2 CYS 28 HB2 CYS 28 -0.257 0.914 0.184
219 HB3 CYS 28 HB1 CYS 28 -0.867 1.334 -1.414
220 H CYS 29 H CYS 29 1.431 2.612 -3.042
221 HA CYS 29 HA CYS 29 2.522 4.480 -1.043
222 HB2 CYS 29 HB2 CYS 29 3.358 4.105 -3.922
223 HB3 CYS 29 HB1 CYS 29 3.828 5.491 -2.946
224 HA PRO 30 HA PRO 30 -1.225 6.428 -2.742
225 HB2 PRO 30 HB2 PRO 30 -1.844 7.791 -0.481
226 HB3 PRO 30 HB1 PRO 30 -2.310 6.112 -0.767
227 HG2 PRO 30 HG2 PRO 30 -0.123 7.213 0.922
228 HG3 PRO 30 HG1 PRO 30 -1.136 5.785 1.184
229 HD2 PRO 30 HD2 PRO 30 1.461 5.732 0.243
230 HD3 PRO 30 HD1 PRO 30 0.271 4.440 0.006
231 H ARG 31 H ARG 31 -1.451 8.379 -3.638
232 HA ARG 31 HA ARG 31 0.650 10.356 -3.086
233 HB2 ARG 31 HB2 ARG 31 -1.059 9.890 -5.527
234 HB3 ARG 31 HB1 ARG 31 -0.123 11.363 -5.301
235 HG2 ARG 31 HG2 ARG 31 1.900 9.867 -5.018
236 HG3 ARG 31 HG1 ARG 31 0.884 8.552 -5.610
237 HD2 ARG 31 HD2 ARG 31 0.504 9.718 -7.685
238 HD3 ARG 31 HD1 ARG 31 1.365 11.135 -7.089
239 HE ARG 31 HE ARG 31 2.507 8.867 -8.319
240 HH11 ARG 31 HH11 ARG 31 3.115 11.153 -5.734
241 HH12 ARG 31 HH12 ARG 31 4.834 10.948 -5.779
242 HH21 ARG 31 HH21 ARG 31 4.782 8.599 -8.386
243 HH22 ARG 31 HH22 ARG 31 5.783 9.492 -7.292
244 H ARG 32 H ARG 32 -1.417 10.080 -1.309
245 HA ARG 32 HA ARG 32 -2.298 12.696 -0.936
246 HB2 ARG 32 HB2 ARG 32 -4.745 12.383 -1.221
247 HB3 ARG 32 HB1 ARG 32 -3.877 12.313 -2.748
248 HG2 ARG 32 HG2 ARG 32 -3.989 9.857 -2.676
249 HG3 ARG 32 HG1 ARG 32 -4.916 9.963 -1.177
250 HD2 ARG 32 HD2 ARG 32 -6.351 9.633 -3.151
251 HD3 ARG 32 HD1 ARG 32 -6.690 11.145 -2.314
252 HE ARG 32 HE ARG 32 -6.176 12.238 -4.234
253 HH11 ARG 32 HH11 ARG 32 -4.543 9.143 -4.328
254 HH12 ARG 32 HH12 ARG 32 -3.908 9.377 -5.920
255 HH21 ARG 32 HH21 ARG 32 -5.338 12.560 -6.335
256 HH22 ARG 32 HH22 ARG 32 -4.361 11.331 -7.067
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 5.755 8.027 -2.843
2 H2 GLY 1 HT2 GLY 1 4.674 8.659 -1.698
3 H3 GLY 1 HT3 GLY 1 5.809 7.484 -1.241
4 HA2 GLY 1 HA1 GLY 1 7.548 9.196 -2.033
5 HA3 GLY 1 HA2 GLY 1 6.217 10.333 -1.840
6 H LEU 2 H LEU 2 5.853 11.148 0.127
7 HA LEU 2 HA LEU 2 7.520 10.232 2.315
8 HB2 LEU 2 HB2 LEU 2 6.322 12.172 3.523
9 HB3 LEU 2 HB1 LEU 2 7.473 12.543 2.257
10 HG LEU 2 HG LEU 2 5.448 12.728 0.695
11 HD11 LEU 2 HD11 LEU 2 3.702 13.548 2.849
12 HD12 LEU 2 HD12 LEU 2 4.073 11.825 2.927
13 HD13 LEU 2 HD13 LEU 2 3.373 12.511 1.461
14 HD21 LEU 2 HD21 LEU 2 5.056 14.925 2.527
15 HD22 LEU 2 HD22 LEU 2 5.766 14.913 0.912
16 HD23 LEU 2 HD23 LEU 2 6.767 14.552 2.318
17 H LEU 3 H LEU 3 5.531 8.451 1.397
18 HA LEU 3 HA LEU 3 4.476 7.549 3.840
19 HB2 LEU 3 HB2 LEU 3 2.863 9.385 3.442
20 HB3 LEU 3 HB1 LEU 3 2.446 8.669 1.897
21 HG LEU 3 HG LEU 3 1.591 6.668 3.076
22 HD11 LEU 3 HD11 LEU 3 1.309 6.668 5.465
23 HD12 LEU 3 HD12 LEU 3 2.031 8.271 5.590
24 HD13 LEU 3 HD13 LEU 3 3.016 6.897 5.087
25 HD21 LEU 3 HD21 LEU 3 -0.178 8.253 4.441
26 HD22 LEU 3 HD22 LEU 3 -0.269 7.855 2.725
27 HD23 LEU 3 HD23 LEU 3 0.486 9.363 3.241
28 H CYS 4 H CYS 4 4.324 5.433 3.674
29 HA CYS 4 HA CYS 4 3.360 4.068 1.334
30 HB2 CYS 4 HB2 CYS 4 6.266 3.835 2.163
31 HB3 CYS 4 HB1 CYS 4 5.451 2.637 1.171
32 H TYR 5 H TYR 5 2.682 1.951 1.876
33 HA TYR 5 HA TYR 5 3.499 0.755 4.347
34 HB2 TYR 5 HB2 TYR 5 1.100 0.678 5.252
35 HB3 TYR 5 HB1 TYR 5 1.999 2.172 5.462
36 HD1 TYR 5 HD1 TYR 5 -0.313 0.637 2.933
37 HD2 TYR 5 HD2 TYR 5 0.861 4.117 5.079
38 HE1 TYR 5 HE1 TYR 5 -2.151 1.895 1.891
39 HE2 TYR 5 HE2 TYR 5 -0.972 5.383 4.043
40 HH TYR 5 HH TYR 5 -2.729 4.210 1.365
41 H CYS 6 H CYS 6 2.373 -1.337 4.708
42 HA CYS 6 HA CYS 6 2.052 -2.605 2.135
43 HB2 CYS 6 HB2 CYS 6 3.439 -3.563 4.013
44 HB3 CYS 6 HB1 CYS 6 1.930 -3.918 4.848
45 H GLY 7 H GLY 7 0.198 -2.906 1.184
46 HA2 GLY 7 HA2 GLY 7 -2.300 -2.602 2.641
47 HA3 GLY 7 HA1 GLY 7 -2.109 -2.745 0.896
48 H LYS 8 H LYS 8 -3.663 -4.215 3.132
49 HA LYS 8 HA LYS 8 -2.712 -6.927 2.771
50 HB2 LYS 8 HB2 LYS 8 -4.956 -5.721 4.384
51 HB3 LYS 8 HB1 LYS 8 -4.791 -7.459 4.186
52 HG2 LYS 8 HG2 LYS 8 -3.786 -6.951 6.244
53 HG3 LYS 8 HG1 LYS 8 -2.455 -7.217 5.120
54 HD2 LYS 8 HD2 LYS 8 -1.738 -5.308 6.170
55 HD3 LYS 8 HD1 LYS 8 -2.619 -4.609 4.812
56 HE2 LYS 8 HE2 LYS 8 -3.755 -5.033 7.576
57 HE3 LYS 8 HE1 LYS 8 -3.106 -3.508 6.979
58 HZ1 LYS 8 HZ1 LYS 8 -5.587 -3.783 6.868
59 HZ2 LYS 8 HZ2 LYS 8 -5.340 -4.919 5.639
60 HZ3 LYS 8 HZ3 LYS 8 -4.840 -3.317 5.423
61 H GLY 9 H GLY 9 -3.279 -8.101 1.091
62 HA2 GLY 9 HA2 GLY 9 -4.653 -9.121 -0.461
63 HA3 GLY 9 HA1 GLY 9 -6.005 -8.197 0.172
64 H HIS 10 H HIS 10 -4.913 -5.599 -0.208
65 HA HIS 10 HA HIS 10 -4.031 -5.187 -2.868
66 HB2 HIS 10 HB2 HIS 10 -6.054 -4.283 -3.874
67 HB3 HIS 10 HB1 HIS 10 -6.346 -5.946 -3.381
68 HD1 HIS 10 HD1 HIS 10 -7.443 -5.960 -0.734
69 HD2 HIS 10 HD2 HIS 10 -8.139 -2.710 -3.228
70 HE1 HIS 10 HE1 HIS 10 -9.480 -4.823 0.199
71 HE2 HIS 10 HE2 HIS 10 -9.793 -2.780 -1.241
72 H CYS 11 H CYS 11 -3.897 -2.916 -3.396
73 HA CYS 11 HA CYS 11 -3.436 -1.299 -1.064
74 HB2 CYS 11 HB2 CYS 11 -3.256 -0.545 -3.992
75 HB3 CYS 11 HB1 CYS 11 -2.597 0.370 -2.640
76 H LYS 12 H LYS 12 -4.201 1.034 -1.141
77 HA LYS 12 HA LYS 12 -7.083 1.035 -1.184
78 HB2 LYS 12 HB2 LYS 12 -5.683 2.141 0.559
79 HB3 LYS 12 HB1 LYS 12 -5.133 3.282 -0.654
80 HG2 LYS 12 HG2 LYS 12 -7.477 4.038 -0.933
81 HG3 LYS 12 HG1 LYS 12 -7.933 2.971 0.400
82 HD2 LYS 12 HD2 LYS 12 -6.005 5.290 0.507
83 HD3 LYS 12 HD1 LYS 12 -7.592 5.193 1.271
84 HE2 LYS 12 HE2 LYS 12 -6.870 3.644 2.857
85 HE3 LYS 12 HE1 LYS 12 -5.461 3.183 1.903
86 HZ1 LYS 12 HZ1 LYS 12 -4.241 4.799 2.792
87 HZ2 LYS 12 HZ2 LYS 12 -5.442 4.904 3.985
88 HZ3 LYS 12 HZ3 LYS 12 -5.475 5.953 2.660
89 H ARG 13 H ARG 13 -8.419 2.148 -2.579
90 HA ARG 13 HA ARG 13 -7.585 2.534 -5.228
91 HB2 ARG 13 HB2 ARG 13 -9.912 2.037 -4.584
92 HB3 ARG 13 HB1 ARG 13 -10.047 3.631 -3.855
93 HG2 ARG 13 HG2 ARG 13 -9.682 4.656 -6.055
94 HG3 ARG 13 HG1 ARG 13 -9.595 3.047 -6.775
95 HD2 ARG 13 HD2 ARG 13 -11.881 2.591 -6.043
96 HD3 ARG 13 HD1 ARG 13 -11.969 4.190 -5.305
97 HE ARG 13 HE ARG 13 -11.292 4.502 -8.002
98 HH11 ARG 13 HH11 ARG 13 -13.996 3.453 -6.050
99 HH12 ARG 13 HH12 ARG 13 -15.191 3.925 -7.211
100 HH21 ARG 13 HH21 ARG 13 -12.863 5.131 -9.548
101 HH22 ARG 13 HH22 ARG 13 -14.542 4.882 -9.211
102 H GLY 14 H GLY 14 -5.839 3.917 -5.304
103 HA2 GLY 14 HA2 GLY 14 -6.062 6.488 -6.005
104 HA3 GLY 14 HA1 GLY 14 -6.055 6.609 -4.248
105 H GLU 15 H GLU 15 -4.313 4.379 -3.813
106 HA GLU 15 HA GLU 15 -1.796 5.720 -4.382
107 HB2 GLU 15 HB2 GLU 15 -0.876 3.906 -2.860
108 HB3 GLU 15 HB1 GLU 15 -1.985 5.059 -2.135
109 HG2 GLU 15 HG2 GLU 15 -3.783 3.286 -2.684
110 HG3 GLU 15 HG1 GLU 15 -2.407 2.188 -2.799
111 H ARG 16 H ARG 16 0.118 4.171 -4.826
112 HA ARG 16 HA ARG 16 -0.707 2.353 -6.995
113 HB2 ARG 16 HB2 ARG 16 1.796 4.043 -6.845
114 HB3 ARG 16 HB1 ARG 16 1.382 2.939 -8.149
115 HG2 ARG 16 HG2 ARG 16 -0.111 5.437 -7.377
116 HG3 ARG 16 HG1 ARG 16 0.905 5.211 -8.802
117 HD2 ARG 16 HD2 ARG 16 -0.613 3.549 -9.674
118 HD3 ARG 16 HD1 ARG 16 -1.584 3.616 -8.205
119 HE ARG 16 HE ARG 16 -2.650 5.438 -9.049
120 HH11 ARG 16 HH11 ARG 16 0.367 5.061 -10.788
121 HH12 ARG 16 HH12 ARG 16 0.042 6.354 -11.895
122 HH21 ARG 16 HH21 ARG 16 -3.083 7.147 -10.506
123 HH22 ARG 16 HH22 ARG 16 -1.927 7.544 -11.732
124 H VAL 17 H VAL 17 0.349 0.420 -7.224
125 HA VAL 17 HA VAL 17 1.404 -0.746 -4.863
126 HB VAL 17 HB VAL 17 1.817 -2.749 -6.266
127 HG11 VAL 17 HG11 VAL 17 -0.852 -2.128 -7.212
128 HG12 VAL 17 HG21 VAL 17 -0.608 -1.642 -5.535
129 HG13 VAL 17 3HG1 VAL 17 -0.322 -3.313 -6.018
130 HG21 VAL 17 HG12 VAL 17 1.763 -2.780 -8.523
131 HG22 VAL 17 HG22 VAL 17 2.138 -1.066 -8.347
132 HG23 VAL 17 HG23 VAL 17 0.474 -1.579 -8.616
133 H ARG 18 H ARG 18 3.469 -1.206 -4.289
134 HA ARG 18 HA ARG 18 5.578 -0.146 -6.054
135 HB2 ARG 18 HB2 ARG 18 5.245 1.129 -3.950
136 HB3 ARG 18 HB1 ARG 18 5.611 -0.327 -3.037
137 HG2 ARG 18 HG2 ARG 18 7.861 -0.360 -3.900
138 HG3 ARG 18 HG1 ARG 18 7.509 1.015 -4.950
139 HD2 ARG 18 HD2 ARG 18 7.145 2.435 -3.035
140 HD3 ARG 18 HD1 ARG 18 7.346 1.068 -1.942
141 HE ARG 18 HE ARG 18 9.659 1.323 -3.505
142 HH11 ARG 18 HH11 ARG 18 7.934 3.023 -0.983
143 HH12 ARG 18 HH12 ARG 18 9.360 3.718 -0.288
144 HH21 ARG 18 HH21 ARG 18 11.558 2.254 -2.604
145 HH22 ARG 18 HH22 ARG 18 11.429 3.287 -1.221
146 H GLY 19 H GLY 19 4.487 -2.811 -4.111
147 HA2 GLY 19 HA2 GLY 19 6.021 -4.713 -5.454
148 HA3 GLY 19 HA1 GLY 19 6.893 -4.282 -3.989
149 H THR 20 H THR 20 6.601 -6.417 -3.195
150 HA THR 20 HA THR 20 3.917 -6.851 -2.078
151 HB THR 20 HB THR 20 4.406 -9.346 -2.325
152 HG1 THR 20 HG1 THR 20 6.619 -9.121 -2.919
153 HG21 THR 20 HG12 THR 20 3.773 -7.532 -4.633
154 HG22 THR 20 HG22 THR 20 2.680 -8.530 -3.674
155 HG23 THR 20 HG23 THR 20 3.781 -9.285 -4.828
156 H CYS 21 H CYS 21 3.869 -7.586 0.007
157 HA CYS 21 HA CYS 21 6.425 -7.529 1.425
158 HB2 CYS 21 HB2 CYS 21 3.717 -7.805 2.712
159 HB3 CYS 21 HB1 CYS 21 5.198 -7.152 3.404
160 H GLY 22 H GLY 22 3.699 -9.649 0.770
161 HA2 GLY 22 HA2 GLY 22 5.157 -12.012 0.878
162 HA3 GLY 22 HA1 GLY 22 4.469 -11.765 2.478
163 H ILE 23 H ILE 23 3.150 -13.607 2.253
164 HA ILE 23 HA ILE 23 1.397 -14.038 0.106
165 HB ILE 23 HB ILE 23 0.112 -15.481 1.736
166 HG12 ILE 23 HG21 ILE 23 2.410 -14.766 3.576
167 HG13 ILE 23 HG11 ILE 23 0.748 -14.227 3.786
168 HG21 ILE 23 HG12 ILE 23 1.607 -17.220 1.483
169 HG22 ILE 23 HG22 ILE 23 3.011 -16.198 1.797
170 HG23 ILE 23 HG23 ILE 23 2.162 -16.081 0.256
171 HD11 ILE 23 HD11 ILE 23 0.047 -16.246 4.541
172 HD12 ILE 23 HD12 ILE 23 1.730 -16.324 5.059
173 HD13 ILE 23 HD13 ILE 23 1.223 -17.142 3.581
174 H ARG 24 H ARG 24 -0.179 -12.827 -0.533
175 HA ARG 24 HA ARG 24 -2.017 -11.514 -0.622
176 HB2 ARG 24 HB2 ARG 24 -2.849 -13.287 0.997
177 HB3 ARG 24 HB1 ARG 24 -2.473 -12.159 2.291
178 HG2 ARG 24 HG2 ARG 24 -4.042 -10.539 1.302
179 HG3 ARG 24 HG1 ARG 24 -4.448 -11.724 0.059
180 HD2 ARG 24 HD2 ARG 24 -4.814 -12.098 3.030
181 HD3 ARG 24 HD1 ARG 24 -6.092 -11.693 1.886
182 HE ARG 24 HE ARG 24 -4.852 -14.027 0.992
183 HH11 ARG 24 HH11 ARG 24 -6.777 -12.955 3.705
184 HH12 ARG 24 HH12 ARG 24 -7.500 -14.504 3.980
185 HH21 ARG 24 HH21 ARG 24 -5.800 -16.087 1.345
186 HH22 ARG 24 HH22 ARG 24 -6.940 -16.294 2.632
187 H PHE 25 H PHE 25 0.652 -10.480 0.380
188 HA PHE 25 HA PHE 25 -0.418 -7.952 1.453
189 HB2 PHE 25 HB2 PHE 25 2.028 -9.438 2.377
190 HB3 PHE 25 HB1 PHE 25 1.887 -7.692 2.552
191 HD1 PHE 25 HD2 PHE 25 -0.367 -10.620 3.178
192 HD2 PHE 25 HD1 PHE 25 1.376 -7.038 4.666
193 HE1 PHE 25 HE2 PHE 25 -1.568 -10.923 5.303
194 HE2 PHE 25 HE1 PHE 25 0.184 -7.337 6.795
195 HZ PHE 25 HZ PHE 25 -1.292 -9.281 7.115
196 H LEU 26 H LEU 26 0.246 -6.160 0.469
197 HA LEU 26 HA LEU 26 2.485 -6.333 -1.434
198 HB2 LEU 26 HB2 LEU 26 -0.292 -5.315 -1.976
199 HB3 LEU 26 HB1 LEU 26 1.080 -4.756 -2.911
200 HG LEU 26 HG LEU 26 1.490 -7.285 -3.356
201 HD11 LEU 26 HD11 LEU 26 -1.455 -7.550 -3.135
202 HD12 LEU 26 HD12 LEU 26 -0.504 -7.721 -1.661
203 HD13 LEU 26 HD13 LEU 26 -0.194 -8.779 -3.036
204 HD21 LEU 26 HD21 LEU 26 -0.501 -5.450 -4.589
205 HD22 LEU 26 HD22 LEU 26 -0.389 -7.109 -5.178
206 HD23 LEU 26 HD23 LEU 26 1.026 -6.057 -5.229
207 H TYR 27 H TYR 27 3.698 -4.491 -1.658
208 HA TYR 27 HA TYR 27 3.402 -2.523 0.451
209 HB2 TYR 27 HB2 TYR 27 5.613 -3.547 -0.426
210 HB3 TYR 27 HB1 TYR 27 5.435 -2.434 -1.776
211 HD1 TYR 27 HD1 TYR 27 4.497 -1.670 1.721
212 HD2 TYR 27 HD2 TYR 27 7.358 -1.110 -1.376
213 HE1 TYR 27 HE1 TYR 27 5.588 0.087 3.053
214 HE2 TYR 27 HE2 TYR 27 8.454 0.649 -0.055
215 HH TYR 27 HH TYR 27 7.815 1.158 3.222
216 H CYS 28 H CYS 28 2.454 -0.530 0.196
217 HA CYS 28 HA CYS 28 1.900 0.322 -2.573
218 HB2 CYS 28 HB2 CYS 28 -0.008 0.733 -0.276
219 HB3 CYS 28 HB1 CYS 28 -0.325 0.915 -1.997
220 H CYS 29 H CYS 29 1.858 2.519 -2.975
221 HA CYS 29 HA CYS 29 2.565 4.313 -0.765
222 HB2 CYS 29 HB2 CYS 29 3.979 4.189 -3.439
223 HB3 CYS 29 HB1 CYS 29 4.199 5.469 -2.252
224 HA PRO 30 HA PRO 30 -0.917 6.343 -2.697
225 HB2 PRO 30 HB2 PRO 30 -0.392 8.437 -0.704
226 HB3 PRO 30 HB1 PRO 30 -1.827 7.432 -0.932
227 HG2 PRO 30 HG2 PRO 30 -0.176 7.082 1.156
228 HG3 PRO 30 HG1 PRO 30 -1.000 5.720 0.373
229 HD2 PRO 30 HD2 PRO 30 1.831 6.653 0.070
230 HD3 PRO 30 HD1 PRO 30 1.198 4.999 0.206
231 H ARG 31 H ARG 31 -1.424 8.727 -3.187
232 HA ARG 31 HA ARG 31 0.586 9.666 -5.000
233 HB2 ARG 31 HB2 ARG 31 -1.828 9.690 -5.547
234 HB3 ARG 31 HB1 ARG 31 -2.093 10.873 -4.278
235 HG2 ARG 31 HG2 ARG 31 -2.061 11.901 -6.488
236 HG3 ARG 31 HG1 ARG 31 -0.748 12.500 -5.476
237 HD2 ARG 31 HD2 ARG 31 -0.344 10.252 -7.428
238 HD3 ARG 31 HD1 ARG 31 -0.227 11.938 -7.923
239 HE ARG 31 HE ARG 31 1.747 10.437 -6.573
240 HH11 ARG 31 HH11 ARG 31 0.364 13.656 -6.655
241 HH12 ARG 31 HH12 ARG 31 1.779 14.421 -6.015
242 HH21 ARG 31 HH21 ARG 31 3.622 11.452 -5.731
243 HH22 ARG 31 HH22 ARG 31 3.634 13.166 -5.489
244 H ARG 32 H ARG 32 1.856 9.798 -2.770
245 HA ARG 32 HA ARG 32 2.586 12.504 -2.453
246 HB2 ARG 32 HB2 ARG 32 2.047 12.792 -0.071
247 HB3 ARG 32 HB1 ARG 32 0.587 12.629 -1.034
248 HG2 ARG 32 HG2 ARG 32 0.349 10.320 -0.328
249 HG3 ARG 32 HG1 ARG 32 1.852 10.432 0.591
250 HD2 ARG 32 HD2 ARG 32 -0.086 10.676 2.051
251 HD3 ARG 32 HD1 ARG 32 0.866 12.158 2.008
252 HE ARG 32 HE ARG 32 -0.945 13.241 1.160
253 HH11 ARG 32 HH11 ARG 32 -1.407 9.812 0.650
254 HH12 ARG 32 HH12 ARG 32 -2.995 9.990 -0.019
255 HH21 ARG 32 HH21 ARG 32 -3.042 13.489 0.279
256 HH22 ARG 32 HH22 ARG 32 -3.928 12.092 -0.231
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 9.314 9.261 6.695
2 H2 GLY 1 HT2 GLY 1 7.874 10.116 6.460
3 H3 GLY 1 HT3 GLY 1 9.351 10.940 6.492
4 HA2 GLY 1 HA1 GLY 1 9.302 10.818 4.281
5 HA3 GLY 1 HA2 GLY 1 9.758 9.135 4.526
6 H LEU 2 H LEU 2 8.637 8.290 2.785
7 HA LEU 2 HA LEU 2 5.918 8.930 2.234
8 HB2 LEU 2 HB2 LEU 2 7.592 6.572 1.359
9 HB3 LEU 2 HB1 LEU 2 6.013 6.976 0.713
10 HG LEU 2 HG LEU 2 8.484 8.697 0.481
11 HD11 LEU 2 HD11 LEU 2 9.021 7.479 -1.289
12 HD12 LEU 2 HD12 LEU 2 7.461 7.856 -2.020
13 HD13 LEU 2 HD13 LEU 2 7.636 6.426 -1.002
14 HD21 LEU 2 HD21 LEU 2 5.803 9.024 -0.857
15 HD22 LEU 2 HD22 LEU 2 7.187 10.113 -0.946
16 HD23 LEU 2 HD23 LEU 2 6.311 9.924 0.573
17 H LEU 3 H LEU 3 4.069 7.918 2.853
18 HA LEU 3 HA LEU 3 4.229 6.191 5.159
19 HB2 LEU 3 HB2 LEU 3 1.895 7.392 3.673
20 HB3 LEU 3 HB1 LEU 3 1.697 6.305 5.031
21 HG LEU 3 HG LEU 3 3.083 7.989 6.375
22 HD11 LEU 3 HD11 LEU 3 3.679 9.171 4.095
23 HD12 LEU 3 HD12 LEU 3 3.504 10.088 5.592
24 HD13 LEU 3 HD13 LEU 3 2.181 10.042 4.428
25 HD21 LEU 3 HD21 LEU 3 0.567 7.614 6.416
26 HD22 LEU 3 HD22 LEU 3 0.451 9.053 5.403
27 HD23 LEU 3 HD23 LEU 3 1.158 9.165 7.015
28 H CYS 4 H CYS 4 5.387 4.733 3.391
29 HA CYS 4 HA CYS 4 3.622 3.133 1.799
30 HB2 CYS 4 HB2 CYS 4 6.522 2.769 2.559
31 HB3 CYS 4 HB1 CYS 4 5.657 1.733 1.431
32 H TYR 5 H TYR 5 2.860 1.091 2.179
33 HA TYR 5 HA TYR 5 3.631 -0.408 4.505
34 HB2 TYR 5 HB2 TYR 5 1.166 -0.460 5.322
35 HB3 TYR 5 HB1 TYR 5 2.178 0.904 5.775
36 HD1 TYR 5 HD2 TYR 5 0.133 0.088 2.733
37 HD2 TYR 5 HD1 TYR 5 0.957 2.844 5.868
38 HE1 TYR 5 HE2 TYR 5 -1.523 1.641 1.796
39 HE2 TYR 5 HE1 TYR 5 -0.700 4.405 4.938
40 HH TYR 5 HH TYR 5 -1.972 4.078 1.822
41 H CYS 6 H CYS 6 2.595 -2.515 4.573
42 HA CYS 6 HA CYS 6 2.126 -3.481 1.907
43 HB2 CYS 6 HB2 CYS 6 2.073 -4.985 4.533
44 HB3 CYS 6 HB1 CYS 6 2.147 -5.699 2.924
45 H GLY 7 H GLY 7 0.231 -3.369 0.983
46 HA2 GLY 7 HA2 GLY 7 -2.217 -3.096 2.482
47 HA3 GLY 7 HA1 GLY 7 -2.052 -3.109 0.730
48 H LYS 8 H LYS 8 -3.877 -4.549 2.620
49 HA LYS 8 HA LYS 8 -3.129 -7.321 2.280
50 HB2 LYS 8 HB2 LYS 8 -5.332 -7.739 3.436
51 HB3 LYS 8 HB1 LYS 8 -4.158 -6.813 4.361
52 HG2 LYS 8 HG2 LYS 8 -5.350 -4.735 3.620
53 HG3 LYS 8 HG1 LYS 8 -6.600 -5.778 2.939
54 HD2 LYS 8 HD2 LYS 8 -7.298 -5.056 5.125
55 HD3 LYS 8 HD1 LYS 8 -6.918 -6.777 5.192
56 HE2 LYS 8 HE2 LYS 8 -4.754 -6.288 6.174
57 HE3 LYS 8 HE1 LYS 8 -5.055 -4.557 6.032
58 HZ1 LYS 8 HZ1 LYS 8 -5.637 -6.129 8.190
59 HZ2 LYS 8 HZ2 LYS 8 -7.141 -5.895 7.452
60 HZ3 LYS 8 HZ3 LYS 8 -6.210 -4.562 7.915
61 H GLY 9 H GLY 9 -3.439 -8.295 0.414
62 HA2 GLY 9 HA2 GLY 9 -4.573 -9.156 -1.396
63 HA3 GLY 9 HA1 GLY 9 -6.017 -8.331 -0.836
64 H HIS 10 H HIS 10 -5.007 -5.666 -0.876
65 HA HIS 10 HA HIS 10 -3.861 -5.023 -3.396
66 HB2 HIS 10 HB2 HIS 10 -5.794 -4.116 -4.544
67 HB3 HIS 10 HB1 HIS 10 -6.101 -5.807 -4.172
68 HD1 HIS 10 HD1 HIS 10 -7.409 -5.941 -1.600
69 HD2 HIS 10 HD2 HIS 10 -7.999 -2.650 -4.070
70 HE1 HIS 10 HE1 HIS 10 -9.558 -4.894 -0.824
71 HE2 HIS 10 HE2 HIS 10 -9.817 -2.825 -2.238
72 H CYS 11 H CYS 11 -3.727 -2.719 -3.738
73 HA CYS 11 HA CYS 11 -3.584 -1.266 -1.261
74 HB2 CYS 11 HB2 CYS 11 -3.150 -0.191 -4.053
75 HB3 CYS 11 HB1 CYS 11 -2.567 0.499 -2.544
76 H LYS 12 H LYS 12 -4.525 0.909 -1.063
77 HA LYS 12 HA LYS 12 -7.337 0.834 -1.713
78 HB2 LYS 12 HB2 LYS 12 -5.652 2.777 -0.129
79 HB3 LYS 12 HB1 LYS 12 -7.385 2.968 -0.371
80 HG2 LYS 12 HG2 LYS 12 -7.835 0.925 0.800
81 HG3 LYS 12 HG1 LYS 12 -6.114 0.554 0.903
82 HD2 LYS 12 HD2 LYS 12 -7.149 3.104 2.071
83 HD3 LYS 12 HD1 LYS 12 -7.370 1.591 2.950
84 HE2 LYS 12 HE2 LYS 12 -5.357 2.626 3.729
85 HE3 LYS 12 HE1 LYS 12 -4.919 1.205 2.786
86 HZ1 LYS 12 HZ1 LYS 12 -3.697 3.467 2.439
87 HZ2 LYS 12 HZ2 LYS 12 -5.020 3.806 1.442
88 HZ3 LYS 12 HZ3 LYS 12 -4.040 2.465 1.113
89 H ARG 13 H ARG 13 -8.442 2.193 -3.034
90 HA ARG 13 HA ARG 13 -7.272 3.136 -5.358
91 HB2 ARG 13 HB2 ARG 13 -9.661 2.657 -5.172
92 HB3 ARG 13 HB1 ARG 13 -9.865 4.008 -4.065
93 HG2 ARG 13 HG2 ARG 13 -9.136 5.532 -5.892
94 HG3 ARG 13 HG1 ARG 13 -9.130 4.144 -6.981
95 HD2 ARG 13 HD2 ARG 13 -11.499 3.790 -6.582
96 HD3 ARG 13 HD1 ARG 13 -11.522 5.113 -5.418
97 HE ARG 13 HE ARG 13 -11.702 6.577 -7.151
98 HH11 ARG 13 HH11 ARG 13 -10.542 3.530 -8.431
99 HH12 ARG 13 HH12 ARG 13 -10.569 4.062 -10.079
100 HH21 ARG 13 HH21 ARG 13 -11.741 7.286 -9.326
101 HH22 ARG 13 HH22 ARG 13 -11.253 6.204 -10.589
102 H GLY 14 H GLY 14 -5.574 4.480 -5.140
103 HA2 GLY 14 HA2 GLY 14 -5.691 7.142 -5.213
104 HA3 GLY 14 HA1 GLY 14 -5.753 6.851 -3.477
105 H GLU 15 H GLU 15 -4.083 4.616 -3.331
106 HA GLU 15 HA GLU 15 -1.513 5.945 -3.664
107 HB2 GLU 15 HB2 GLU 15 -0.656 3.985 -2.345
108 HB3 GLU 15 HB1 GLU 15 -1.839 4.987 -1.521
109 HG2 GLU 15 HG2 GLU 15 -3.508 3.197 -2.489
110 HG3 GLU 15 HG1 GLU 15 -2.050 2.203 -2.500
111 H ARG 16 H ARG 16 0.315 4.073 -4.076
112 HA ARG 16 HA ARG 16 -0.485 2.677 -6.540
113 HB2 ARG 16 HB2 ARG 16 1.921 4.460 -6.168
114 HB3 ARG 16 HB1 ARG 16 1.753 3.333 -7.506
115 HG2 ARG 16 HG2 ARG 16 -0.109 5.621 -6.899
116 HG3 ARG 16 HG1 ARG 16 1.142 5.609 -8.143
117 HD2 ARG 16 HD2 ARG 16 0.015 3.736 -9.252
118 HD3 ARG 16 HD1 ARG 16 -1.235 3.753 -8.009
119 HE ARG 16 HE ARG 16 -1.060 5.451 -10.287
120 HH11 ARG 16 HH11 ARG 16 -2.201 5.298 -6.979
121 HH12 ARG 16 HH12 ARG 16 -3.302 6.626 -7.160
122 HH21 ARG 16 HH21 ARG 16 -2.543 7.180 -10.543
123 HH22 ARG 16 HH22 ARG 16 -3.514 7.680 -9.200
124 H VAL 17 H VAL 17 0.560 0.794 -6.993
125 HA VAL 17 HA VAL 17 1.633 -0.652 -4.784
126 HB VAL 17 HB VAL 17 1.598 -1.479 -7.692
127 HG11 VAL 17 HG11 VAL 17 2.186 -3.549 -7.046
128 HG12 VAL 17 HG21 VAL 17 1.230 -3.473 -5.566
129 HG13 VAL 17 3HG1 VAL 17 2.826 -2.724 -5.625
130 HG21 VAL 17 HG12 VAL 17 -0.628 -0.735 -6.482
131 HG22 VAL 17 HG22 VAL 17 -0.517 -2.357 -5.797
132 HG23 VAL 17 HG23 VAL 17 -0.580 -2.141 -7.547
133 H ARG 18 H ARG 18 3.704 -1.265 -4.376
134 HA ARG 18 HA ARG 18 5.784 -0.201 -6.170
135 HB2 ARG 18 HB2 ARG 18 5.685 -0.297 -3.167
136 HB3 ARG 18 HB1 ARG 18 7.212 -0.165 -4.029
137 HG2 ARG 18 HG2 ARG 18 4.910 1.770 -4.130
138 HG3 ARG 18 HG1 ARG 18 6.480 2.021 -3.362
139 HD2 ARG 18 HD2 ARG 18 7.540 1.741 -5.598
140 HD3 ARG 18 HD1 ARG 18 5.927 1.684 -6.306
141 HE ARG 18 HE ARG 18 6.229 4.015 -4.736
142 HH11 ARG 18 HH11 ARG 18 7.175 2.613 -7.791
143 HH12 ARG 18 HH12 ARG 18 7.429 4.140 -8.571
144 HH21 ARG 18 HH21 ARG 18 6.563 6.048 -5.751
145 HH22 ARG 18 HH22 ARG 18 7.079 6.103 -7.404
146 H GLY 19 H GLY 19 4.703 -2.872 -4.200
147 HA2 GLY 19 HA2 GLY 19 6.046 -4.797 -5.729
148 HA3 GLY 19 HA1 GLY 19 7.021 -4.459 -4.305
149 H THR 20 H THR 20 6.744 -6.400 -3.280
150 HA THR 20 HA THR 20 4.062 -6.887 -2.196
151 HB THR 20 HB THR 20 4.654 -9.394 -2.374
152 HG1 THR 20 HG1 THR 20 6.809 -9.124 -3.085
153 HG21 THR 20 HG12 THR 20 2.832 -8.430 -3.639
154 HG22 THR 20 HG22 THR 20 3.740 -9.528 -4.679
155 HG23 THR 20 HG23 THR 20 3.957 -7.784 -4.833
156 H CYS 21 H CYS 21 4.043 -7.824 -0.114
157 HA CYS 21 HA CYS 21 6.493 -8.588 1.168
158 HB2 CYS 21 HB2 CYS 21 6.142 -6.785 2.999
159 HB3 CYS 21 HB1 CYS 21 6.962 -6.330 1.511
160 H GLY 22 H GLY 22 5.572 -10.446 1.808
161 HA2 GLY 22 HA2 GLY 22 4.574 -11.558 3.678
162 HA3 GLY 22 HA1 GLY 22 3.446 -10.216 3.823
163 H ILE 23 H ILE 23 2.876 -13.074 3.643
164 HA ILE 23 HA ILE 23 1.998 -13.826 1.102
165 HB ILE 23 HB ILE 23 0.411 -15.363 2.321
166 HG12 ILE 23 HG21 ILE 23 1.763 -14.204 4.771
167 HG13 ILE 23 HG11 ILE 23 0.087 -13.918 4.315
168 HG21 ILE 23 HG12 ILE 23 2.953 -15.888 3.652
169 HG22 ILE 23 HG22 ILE 23 3.120 -15.494 1.942
170 HG23 ILE 23 HG23 ILE 23 2.088 -16.834 2.441
171 HD11 ILE 23 HD11 ILE 23 1.318 -16.218 5.630
172 HD12 ILE 23 HD12 ILE 23 0.183 -16.632 4.344
173 HD13 ILE 23 HD13 ILE 23 -0.341 -15.621 5.691
174 H ARG 24 H ARG 24 0.484 -13.088 -0.134
175 HA ARG 24 HA ARG 24 -1.279 -12.019 -0.997
176 HB2 ARG 24 HB2 ARG 24 -3.387 -12.368 -0.100
177 HB3 ARG 24 HB1 ARG 24 -2.455 -13.693 0.568
178 HG2 ARG 24 HG2 ARG 24 -2.174 -12.141 2.621
179 HG3 ARG 24 HG1 ARG 24 -3.548 -11.271 1.933
180 HD2 ARG 24 HD2 ARG 24 -4.866 -13.315 1.944
181 HD3 ARG 24 HD1 ARG 24 -3.491 -14.218 2.574
182 HE ARG 24 HE ARG 24 -5.371 -12.812 4.088
183 HH11 ARG 24 HH11 ARG 24 -1.873 -13.102 3.923
184 HH12 ARG 24 HH12 ARG 24 -1.655 -12.877 5.626
185 HH21 ARG 24 HH21 ARG 24 -5.069 -12.517 6.331
186 HH22 ARG 24 HH22 ARG 24 -3.470 -12.545 6.995
187 H PHE 25 H PHE 25 0.775 -10.539 0.522
188 HA PHE 25 HA PHE 25 -0.754 -8.046 0.842
189 HB2 PHE 25 HB2 PHE 25 1.450 -9.116 2.577
190 HB3 PHE 25 HB1 PHE 25 1.226 -7.380 2.395
191 HD1 PHE 25 HD1 PHE 25 -1.076 -10.288 2.924
192 HD2 PHE 25 HD2 PHE 25 0.214 -6.441 4.196
193 HE1 PHE 25 HE1 PHE 25 -2.776 -10.311 4.702
194 HE2 PHE 25 HE2 PHE 25 -1.483 -6.455 5.976
195 HZ PHE 25 HZ PHE 25 -2.980 -8.393 6.232
196 H LEU 26 H LEU 26 0.089 -6.267 -0.108
197 HA LEU 26 HA LEU 26 2.623 -6.610 -1.567
198 HB2 LEU 26 HB2 LEU 26 1.732 -5.447 -3.485
199 HB3 LEU 26 HB1 LEU 26 0.749 -6.850 -3.129
200 HG LEU 26 HG LEU 26 -0.033 -4.054 -2.301
201 HD11 LEU 26 HD11 LEU 26 -0.375 -5.508 -4.878
202 HD12 LEU 26 HD12 LEU 26 -0.080 -3.795 -4.579
203 HD13 LEU 26 HD13 LEU 26 -1.684 -4.476 -4.298
204 HD21 LEU 26 HD21 LEU 26 -1.937 -6.282 -2.819
205 HD22 LEU 26 HD22 LEU 26 -2.062 -4.924 -1.699
206 HD23 LEU 26 HD23 LEU 26 -1.020 -6.293 -1.312
207 H TYR 27 H TYR 27 3.802 -4.670 -1.983
208 HA TYR 27 HA TYR 27 3.621 -2.817 0.208
209 HB2 TYR 27 HB2 TYR 27 5.726 -3.766 -1.045
210 HB3 TYR 27 HB1 TYR 27 5.432 -2.433 -2.154
211 HD1 TYR 27 HD2 TYR 27 5.063 -2.530 1.553
212 HD2 TYR 27 HD1 TYR 27 7.199 -0.969 -1.777
213 HE1 TYR 27 HE2 TYR 27 6.310 -1.040 3.059
214 HE2 TYR 27 HE1 TYR 27 8.455 0.523 -0.281
215 HH TYR 27 HH TYR 27 8.944 0.210 2.640
216 H CYS 28 H CYS 28 2.440 -1.010 0.218
217 HA CYS 28 HA CYS 28 1.746 0.216 -2.375
218 HB2 CYS 28 HB2 CYS 28 0.045 0.214 0.126
219 HB3 CYS 28 HB1 CYS 28 -0.409 0.819 -1.462
220 H CYS 29 H CYS 29 1.949 2.402 -2.558
221 HA CYS 29 HA CYS 29 2.695 3.921 -0.154
222 HB2 CYS 29 HB2 CYS 29 4.093 4.086 -2.836
223 HB3 CYS 29 HB1 CYS 29 4.412 5.127 -1.454
224 HA PRO 30 HA PRO 30 -0.591 6.459 -1.765
225 HB2 PRO 30 HB2 PRO 30 -0.257 8.536 -0.024
226 HB3 PRO 30 HB1 PRO 30 -1.091 7.033 0.385
227 HG2 PRO 30 HG2 PRO 30 1.719 7.864 0.984
228 HG3 PRO 30 HG1 PRO 30 0.551 7.033 2.027
229 HD2 PRO 30 HD2 PRO 30 2.537 5.719 0.761
230 HD3 PRO 30 HD1 PRO 30 0.948 4.980 1.046
231 H ARG 31 H ARG 31 -0.817 8.207 -3.094
232 HA ARG 31 HA ARG 31 1.606 9.260 -4.251
233 HB2 ARG 31 HB2 ARG 31 -0.385 8.587 -5.611
234 HB3 ARG 31 HB1 ARG 31 -1.266 9.938 -4.914
235 HG2 ARG 31 HG2 ARG 31 -0.463 10.503 -7.124
236 HG3 ARG 31 HG1 ARG 31 0.346 11.495 -5.910
237 HD2 ARG 31 HD2 ARG 31 1.606 8.948 -6.850
238 HD3 ARG 31 HD1 ARG 31 1.728 10.405 -7.834
239 HE ARG 31 HE ARG 31 3.094 9.849 -5.363
240 HH11 ARG 31 HH11 ARG 31 2.009 12.360 -7.545
241 HH12 ARG 31 HH12 ARG 31 3.089 13.557 -6.916
242 HH21 ARG 31 HH21 ARG 31 4.517 11.433 -4.517
243 HH22 ARG 31 HH22 ARG 31 4.519 13.028 -5.187
244 H ARG 32 H ARG 32 -1.124 10.455 -2.381
245 HA ARG 32 HA ARG 32 0.387 12.544 -1.206
246 HB2 ARG 32 HB2 ARG 32 -0.049 13.611 -3.392
247 HB3 ARG 32 HB1 ARG 32 -1.771 13.329 -3.191
248 HG2 ARG 32 HG2 ARG 32 -0.378 14.880 -1.082
249 HG3 ARG 32 HG1 ARG 32 -0.640 15.659 -2.642
250 HD2 ARG 32 HD2 ARG 32 -3.011 15.314 -2.481
251 HD3 ARG 32 HD1 ARG 32 -2.816 14.332 -1.030
252 HE ARG 32 HE ARG 32 -2.874 17.191 -1.195
253 HH11 ARG 32 HH11 ARG 32 -1.781 14.443 0.700
254 HH12 ARG 32 HH12 ARG 32 -1.558 15.386 2.145
255 HH21 ARG 32 HH21 ARG 32 -2.585 18.422 0.720
256 HH22 ARG 32 HH22 ARG 32 -2.016 17.642 2.158
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 6.477 15.238 2.029
2 H2 GLY 1 HT2 GLY 1 7.253 14.622 0.659
3 H3 GLY 1 HT3 GLY 1 8.105 15.601 1.744
4 HA2 GLY 1 HA1 GLY 1 8.832 13.721 2.657
5 HA3 GLY 1 HA2 GLY 1 7.215 13.616 3.345
6 H LEU 2 H LEU 2 7.094 11.374 3.291
7 HA LEU 2 HA LEU 2 6.280 10.266 0.795
8 HB2 LEU 2 HB2 LEU 2 7.909 8.542 0.524
9 HB3 LEU 2 HB1 LEU 2 8.746 10.071 0.582
10 HG LEU 2 HG LEU 2 10.119 8.578 1.736
11 HD11 LEU 2 HD11 LEU 2 9.639 9.200 4.275
12 HD12 LEU 2 HD12 LEU 2 8.618 10.406 3.492
13 HD13 LEU 2 HD13 LEU 2 10.341 10.331 3.118
14 HD21 LEU 2 HD21 LEU 2 7.997 7.617 3.597
15 HD22 LEU 2 HD22 LEU 2 9.519 6.856 3.130
16 HD23 LEU 2 HD23 LEU 2 8.168 6.894 1.996
17 H LEU 3 H LEU 3 5.294 8.176 1.042
18 HA LEU 3 HA LEU 3 5.074 7.007 3.658
19 HB2 LEU 3 HB2 LEU 3 3.485 9.095 3.466
20 HB3 LEU 3 HB1 LEU 3 2.496 8.015 2.506
21 HG LEU 3 HG LEU 3 1.797 8.183 4.887
22 HD11 LEU 3 HD11 LEU 3 1.272 5.920 5.153
23 HD12 LEU 3 HD12 LEU 3 2.730 5.392 4.313
24 HD13 LEU 3 HD13 LEU 3 1.419 6.148 3.409
25 HD21 LEU 3 HD21 LEU 3 3.135 7.716 6.636
26 HD22 LEU 3 HD22 LEU 3 4.417 8.125 5.495
27 HD23 LEU 3 HD23 LEU 3 3.993 6.436 5.778
28 H CYS 4 H CYS 4 4.917 4.899 3.322
29 HA CYS 4 HA CYS 4 3.249 3.811 1.209
30 HB2 CYS 4 HB2 CYS 4 6.172 3.030 1.398
31 HB3 CYS 4 HB1 CYS 4 4.995 2.445 0.231
32 H TYR 5 H TYR 5 2.525 1.712 1.729
33 HA TYR 5 HA TYR 5 3.775 0.298 3.912
34 HB2 TYR 5 HB2 TYR 5 1.686 0.157 5.275
35 HB3 TYR 5 HB1 TYR 5 2.430 1.745 5.256
36 HD1 TYR 5 HD2 TYR 5 -0.077 -0.033 3.083
37 HD2 TYR 5 HD1 TYR 5 0.896 3.433 5.350
38 HE1 TYR 5 HE2 TYR 5 -2.244 0.963 2.482
39 HE2 TYR 5 HE1 TYR 5 -1.269 4.432 4.763
40 HH TYR 5 HH TYR 5 -3.276 3.171 2.311
41 H CYS 6 H CYS 6 2.787 -1.813 4.309
42 HA CYS 6 HA CYS 6 1.941 -2.964 1.789
43 HB2 CYS 6 HB2 CYS 6 2.672 -4.255 4.426
44 HB3 CYS 6 HB1 CYS 6 2.302 -5.130 2.944
45 H GLY 7 H GLY 7 -0.142 -2.951 1.328
46 HA2 GLY 7 HA2 GLY 7 -2.183 -2.873 3.359
47 HA3 GLY 7 HA1 GLY 7 -2.435 -2.941 1.618
48 H LYS 8 H LYS 8 -3.377 -4.514 4.128
49 HA LYS 8 HA LYS 8 -2.547 -7.201 3.493
50 HB2 LYS 8 HB2 LYS 8 -2.993 -6.524 5.829
51 HB3 LYS 8 HB1 LYS 8 -4.674 -6.225 5.411
52 HG2 LYS 8 HG2 LYS 8 -4.915 -8.612 4.817
53 HG3 LYS 8 HG1 LYS 8 -3.255 -8.881 5.347
54 HD2 LYS 8 HD2 LYS 8 -4.776 -9.514 7.112
55 HD3 LYS 8 HD1 LYS 8 -3.883 -8.073 7.599
56 HE2 LYS 8 HE2 LYS 8 -5.788 -6.675 7.000
57 HE3 LYS 8 HE1 LYS 8 -6.678 -8.100 6.465
58 HZ1 LYS 8 HZ1 LYS 8 -5.787 -8.539 9.085
59 HZ2 LYS 8 HZ2 LYS 8 -7.378 -8.397 8.528
60 HZ3 LYS 8 HZ3 LYS 8 -6.535 -7.022 9.037
61 H GLY 9 H GLY 9 -3.410 -8.336 1.909
62 HA2 GLY 9 HA2 GLY 9 -5.068 -9.333 0.641
63 HA3 GLY 9 HA1 GLY 9 -6.265 -8.398 1.521
64 H HIS 10 H HIS 10 -5.276 -5.801 0.990
65 HA HIS 10 HA HIS 10 -4.798 -5.321 -1.751
66 HB2 HIS 10 HB2 HIS 10 -6.927 -4.627 -2.580
67 HB3 HIS 10 HB1 HIS 10 -7.165 -6.224 -1.883
68 HD1 HIS 10 HD1 HIS 10 -7.880 -5.845 0.918
69 HD2 HIS 10 HD2 HIS 10 -9.011 -3.053 -1.946
70 HE1 HIS 10 HE1 HIS 10 -9.831 -4.612 1.914
71 HE2 HIS 10 HE2 HIS 10 -10.405 -2.837 0.221
72 H CYS 11 H CYS 11 -4.445 -3.154 -2.161
73 HA CYS 11 HA CYS 11 -4.264 -1.436 0.169
74 HB2 CYS 11 HB2 CYS 11 -3.498 -0.887 -2.710
75 HB3 CYS 11 HB1 CYS 11 -3.028 0.066 -1.306
76 H LYS 12 H LYS 12 -4.799 1.062 -0.564
77 HA LYS 12 HA LYS 12 -7.666 1.012 -1.007
78 HB2 LYS 12 HB2 LYS 12 -5.863 3.408 -0.604
79 HB3 LYS 12 HB1 LYS 12 -7.620 3.416 -0.570
80 HG2 LYS 12 HG2 LYS 12 -7.282 1.668 1.356
81 HG3 LYS 12 HG1 LYS 12 -5.686 2.412 1.458
82 HD2 LYS 12 HD2 LYS 12 -8.371 3.739 1.792
83 HD3 LYS 12 HD1 LYS 12 -7.101 3.555 2.998
84 HE2 LYS 12 HE2 LYS 12 -6.810 5.175 0.473
85 HE3 LYS 12 HE1 LYS 12 -7.305 5.850 2.022
86 HZ1 LYS 12 HZ1 LYS 12 -4.956 6.174 1.642
87 HZ2 LYS 12 HZ2 LYS 12 -4.711 4.503 1.458
88 HZ3 LYS 12 HZ3 LYS 12 -5.188 5.132 2.957
89 H ARG 13 H ARG 13 -8.757 1.858 -2.744
90 HA ARG 13 HA ARG 13 -7.513 1.699 -5.264
91 HB2 ARG 13 HB2 ARG 13 -9.880 1.212 -4.963
92 HB3 ARG 13 HB1 ARG 13 -10.187 2.872 -4.477
93 HG2 ARG 13 HG2 ARG 13 -10.898 2.424 -6.776
94 HG3 ARG 13 HG1 ARG 13 -9.645 3.662 -6.697
95 HD2 ARG 13 HD2 ARG 13 -7.960 1.974 -7.288
96 HD3 ARG 13 HD1 ARG 13 -9.229 0.755 -7.395
97 HE ARG 13 HE ARG 13 -9.643 1.489 -9.501
98 HH11 ARG 13 HH11 ARG 13 -8.187 4.153 -7.743
99 HH12 ARG 13 HH12 ARG 13 -8.158 5.210 -9.114
100 HH21 ARG 13 HH21 ARG 13 -9.598 2.883 -11.313
101 HH22 ARG 13 HH22 ARG 13 -8.962 4.486 -11.149
102 H GLY 14 H GLY 14 -5.754 3.127 -5.204
103 HA2 GLY 14 HA2 GLY 14 -5.847 5.460 -6.522
104 HA3 GLY 14 HA1 GLY 14 -6.233 5.972 -4.883
105 H GLU 15 H GLU 15 -4.499 3.622 -3.983
106 HA GLU 15 HA GLU 15 -2.089 5.155 -3.681
107 HB2 GLU 15 HB2 GLU 15 -2.697 2.323 -2.818
108 HB3 GLU 15 HB1 GLU 15 -1.373 3.324 -2.245
109 HG2 GLU 15 HG2 GLU 15 -2.908 4.843 -1.204
110 HG3 GLU 15 HG1 GLU 15 -4.282 3.982 -1.891
111 H ARG 16 H ARG 16 -0.010 4.586 -4.393
112 HA ARG 16 HA ARG 16 -0.010 3.217 -6.948
113 HB2 ARG 16 HB2 ARG 16 2.122 4.735 -5.446
114 HB3 ARG 16 HB1 ARG 16 2.406 3.949 -6.993
115 HG2 ARG 16 HG2 ARG 16 0.366 6.109 -6.502
116 HG3 ARG 16 HG1 ARG 16 1.964 6.356 -7.209
117 HD2 ARG 16 HD2 ARG 16 1.376 4.849 -9.050
118 HD3 ARG 16 HD1 ARG 16 -0.219 4.607 -8.342
119 HE ARG 16 HE ARG 16 0.642 6.815 -9.929
120 HH11 ARG 16 HH11 ARG 16 -1.565 5.868 -7.384
121 HH12 ARG 16 HH12 ARG 16 -2.646 7.192 -7.647
122 HH21 ARG 16 HH21 ARG 16 -0.787 8.566 -10.293
123 HH22 ARG 16 HH22 ARG 16 -2.203 8.732 -9.310
124 H VAL 17 H VAL 17 0.273 1.125 -7.082
125 HA VAL 17 HA VAL 17 1.315 -0.455 -4.945
126 HB VAL 17 HB VAL 17 -0.431 -1.387 -6.311
127 HG11 VAL 17 HG11 VAL 17 0.770 -2.009 -8.765
128 HG12 VAL 17 HG21 VAL 17 1.108 -0.303 -8.477
129 HG13 VAL 17 3HG1 VAL 17 -0.556 -0.885 -8.468
130 HG21 VAL 17 HG12 VAL 17 1.254 -3.310 -7.410
131 HG22 VAL 17 HG22 VAL 17 0.511 -3.339 -5.811
132 HG23 VAL 17 HG23 VAL 17 2.133 -2.680 -6.018
133 H ARG 18 H ARG 18 3.288 -1.415 -4.731
134 HA ARG 18 HA ARG 18 5.309 -0.702 -6.758
135 HB2 ARG 18 HB2 ARG 18 5.712 -1.144 -3.795
136 HB3 ARG 18 HB1 ARG 18 6.978 -0.763 -4.954
137 HG2 ARG 18 HG2 ARG 18 5.766 1.373 -5.440
138 HG3 ARG 18 HG1 ARG 18 4.700 0.996 -4.085
139 HD2 ARG 18 HD2 ARG 18 6.414 2.466 -3.296
140 HD3 ARG 18 HD1 ARG 18 6.712 0.864 -2.625
141 HE ARG 18 HE ARG 18 8.707 0.830 -3.717
142 HH11 ARG 18 HH11 ARG 18 6.693 3.272 -5.203
143 HH12 ARG 18 HH12 ARG 18 7.914 3.798 -6.313
144 HH21 ARG 18 HH21 ARG 18 10.336 1.523 -5.176
145 HH22 ARG 18 HH22 ARG 18 9.995 2.798 -6.296
146 H GLY 19 H GLY 19 4.299 -3.195 -4.446
147 HA2 GLY 19 HA2 GLY 19 4.665 -5.363 -6.113
148 HA3 GLY 19 HA1 GLY 19 6.214 -5.124 -5.312
149 H THR 20 H THR 20 5.523 -7.391 -4.581
150 HA THR 20 HA THR 20 3.568 -7.401 -2.429
151 HB THR 20 HB THR 20 4.318 -9.853 -2.276
152 HG1 THR 20 HG1 THR 20 6.297 -9.444 -3.498
153 HG21 THR 20 HG12 THR 20 2.882 -8.576 -4.564
154 HG22 THR 20 HG22 THR 20 2.250 -9.593 -3.268
155 HG23 THR 20 HG23 THR 20 3.169 -10.316 -4.590
156 H CYS 21 H CYS 21 4.043 -7.738 -0.251
157 HA CYS 21 HA CYS 21 6.860 -7.971 0.518
158 HB2 CYS 21 HB2 CYS 21 6.401 -6.086 2.227
159 HB3 CYS 21 HB1 CYS 21 6.782 -5.648 0.564
160 H GLY 22 H GLY 22 4.957 -9.908 0.751
161 HA2 GLY 22 HA2 GLY 22 5.185 -11.086 3.087
162 HA3 GLY 22 HA1 GLY 22 4.000 -9.856 3.510
163 H ILE 23 H ILE 23 3.288 -12.465 3.821
164 HA ILE 23 HA ILE 23 2.089 -13.614 1.543
165 HB ILE 23 HB ILE 23 0.667 -14.880 3.203
166 HG12 ILE 23 HG21 ILE 23 2.463 -13.477 5.201
167 HG13 ILE 23 HG11 ILE 23 0.734 -13.199 5.019
168 HG21 ILE 23 HG12 ILE 23 2.755 -15.740 2.260
169 HG22 ILE 23 HG22 ILE 23 2.520 -16.285 3.920
170 HG23 ILE 23 HG23 ILE 23 3.658 -14.983 3.572
171 HD11 ILE 23 HD11 ILE 23 1.845 -14.898 6.802
172 HD12 ILE 23 HD12 ILE 23 1.483 -15.995 5.470
173 HD13 ILE 23 HD13 ILE 23 0.196 -15.027 6.191
174 H ARG 24 H ARG 24 0.659 -12.649 0.389
175 HA ARG 24 HA ARG 24 -1.202 -11.596 -0.328
176 HB2 ARG 24 HB2 ARG 24 -2.320 -13.218 1.235
177 HB3 ARG 24 HB1 ARG 24 -2.300 -11.964 2.465
178 HG2 ARG 24 HG2 ARG 24 -4.470 -12.165 1.315
179 HG3 ARG 24 HG1 ARG 24 -3.742 -10.567 1.139
180 HD2 ARG 24 HD2 ARG 24 -2.844 -11.332 -1.079
181 HD3 ARG 24 HD1 ARG 24 -3.825 -12.785 -0.899
182 HE ARG 24 HE ARG 24 -4.713 -10.190 -1.686
183 HH11 ARG 24 HH11 ARG 24 -5.730 -13.128 -0.066
184 HH12 ARG 24 HH12 ARG 24 -7.416 -12.851 -0.348
185 HH21 ARG 24 HH21 ARG 24 -6.927 -9.816 -2.052
186 HH22 ARG 24 HH22 ARG 24 -8.100 -10.963 -1.491
187 H PHE 25 H PHE 25 1.045 -10.145 0.932
188 HA PHE 25 HA PHE 25 -0.399 -7.690 1.689
189 HB2 PHE 25 HB2 PHE 25 2.294 -8.694 2.551
190 HB3 PHE 25 HB1 PHE 25 1.938 -6.967 2.533
191 HD1 PHE 25 HD1 PHE 25 -0.052 -9.957 3.576
192 HD2 PHE 25 HD2 PHE 25 1.639 -6.209 4.662
193 HE1 PHE 25 HE1 PHE 25 -1.098 -10.133 5.795
194 HE2 PHE 25 HE2 PHE 25 0.596 -6.377 6.883
195 HZ PHE 25 HZ PHE 25 -0.774 -8.342 7.453
196 H LEU 26 H LEU 26 -0.118 -5.921 0.546
197 HA LEU 26 HA LEU 26 1.776 -6.024 -1.717
198 HB2 LEU 26 HB2 LEU 26 -0.696 -6.263 -2.237
199 HB3 LEU 26 HB1 LEU 26 -0.888 -4.613 -1.682
200 HG LEU 26 HG LEU 26 0.690 -3.881 -3.468
201 HD11 LEU 26 HD11 LEU 26 0.904 -5.616 -5.359
202 HD12 LEU 26 HD12 LEU 26 0.597 -6.808 -4.097
203 HD13 LEU 26 HD13 LEU 26 1.994 -5.739 -3.979
204 HD21 LEU 26 HD21 LEU 26 -1.504 -5.397 -4.795
205 HD22 LEU 26 HD22 LEU 26 -0.974 -3.733 -5.040
206 HD23 LEU 26 HD23 LEU 26 -1.916 -4.157 -3.611
207 H TYR 27 H TYR 27 3.229 -4.435 -1.752
208 HA TYR 27 HA TYR 27 3.130 -2.313 0.193
209 HB2 TYR 27 HB2 TYR 27 5.214 -3.592 -0.682
210 HB3 TYR 27 HB1 TYR 27 5.109 -2.515 -2.068
211 HD1 TYR 27 HD1 TYR 27 4.519 -1.776 1.535
212 HD2 TYR 27 HD2 TYR 27 6.968 -1.128 -1.881
213 HE1 TYR 27 HE1 TYR 27 5.794 -0.082 2.779
214 HE2 TYR 27 HE2 TYR 27 8.252 0.567 -0.647
215 HH TYR 27 HH TYR 27 7.825 1.069 2.769
216 H CYS 28 H CYS 28 2.093 -0.455 -0.130
217 HA CYS 28 HA CYS 28 1.992 0.637 -2.854
218 HB2 CYS 28 HB2 CYS 28 -0.369 0.430 -0.973
219 HB3 CYS 28 HB1 CYS 28 -0.371 1.262 -2.523
220 H CYS 29 H CYS 29 2.057 2.824 -3.007
221 HA CYS 29 HA CYS 29 2.576 4.276 -0.504
222 HB2 CYS 29 HB2 CYS 29 3.287 5.020 -3.355
223 HB3 CYS 29 HB1 CYS 29 3.706 5.946 -1.916
224 HA PRO 30 HA PRO 30 -1.472 5.891 -1.559
225 HB2 PRO 30 HB2 PRO 30 -2.192 6.606 0.916
226 HB3 PRO 30 HB1 PRO 30 -2.198 4.926 0.366
227 HG2 PRO 30 HG2 PRO 30 -0.216 6.359 2.079
228 HG3 PRO 30 HG1 PRO 30 -0.810 4.695 2.204
229 HD2 PRO 30 HD2 PRO 30 1.599 5.445 1.058
230 HD3 PRO 30 HD1 PRO 30 0.756 3.916 0.749
231 H ARG 31 H ARG 31 -2.138 7.789 -2.104
232 HA ARG 31 HA ARG 31 -0.511 10.135 -1.569
233 HB2 ARG 31 HB2 ARG 31 -1.772 11.237 -3.267
234 HB3 ARG 31 HB1 ARG 31 -1.499 9.607 -3.860
235 HG2 ARG 31 HG2 ARG 31 -4.048 10.513 -2.530
236 HG3 ARG 31 HG1 ARG 31 -3.789 10.496 -4.274
237 HD2 ARG 31 HD2 ARG 31 -4.297 8.333 -4.375
238 HD3 ARG 31 HD1 ARG 31 -3.081 7.948 -3.157
239 HE ARG 31 HE ARG 31 -4.744 7.781 -1.591
240 HH11 ARG 31 HH11 ARG 31 -6.051 9.428 -4.402
241 HH12 ARG 31 HH12 ARG 31 -7.656 9.508 -3.757
242 HH21 ARG 31 HH21 ARG 31 -6.822 7.902 -0.739
243 HH22 ARG 31 HH22 ARG 31 -8.101 8.635 -1.660
244 H ARG 32 H ARG 32 -3.244 8.530 -0.475
245 HA ARG 32 HA ARG 32 -3.709 9.950 1.826
246 HB2 ARG 32 HB2 ARG 32 -4.499 11.650 -0.003
247 HB3 ARG 32 HB1 ARG 32 -5.891 10.588 -0.148
248 HG2 ARG 32 HG2 ARG 32 -6.647 11.081 1.989
249 HG3 ARG 32 HG1 ARG 32 -5.067 11.669 2.516
250 HD2 ARG 32 HD2 ARG 32 -6.936 13.005 0.562
251 HD3 ARG 32 HD1 ARG 32 -6.555 13.545 2.199
252 HE ARG 32 HE ARG 32 -4.159 13.345 0.775
253 HH11 ARG 32 HH11 ARG 32 -7.076 15.277 0.755
254 HH12 ARG 32 HH12 ARG 32 -6.304 16.675 0.088
255 HH21 ARG 32 HH21 ARG 32 -3.128 15.183 -0.105
256 HH22 ARG 32 HH22 ARG 32 -4.045 16.622 -0.404
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 8.323 12.792 1.371
2 H2 GLY 1 HT2 GLY 1 9.974 12.442 1.504
3 H3 GLY 1 HT3 GLY 1 9.004 12.472 2.889
4 HA2 GLY 1 HA1 GLY 1 9.445 10.352 1.012
5 HA3 GLY 1 HA2 GLY 1 8.821 10.280 2.656
6 H LEU 2 H LEU 2 7.147 8.862 2.187
7 HA LEU 2 HA LEU 2 4.781 10.085 1.102
8 HB2 LEU 2 HB2 LEU 2 6.010 9.165 -0.905
9 HB3 LEU 2 HB1 LEU 2 5.816 7.568 -0.208
10 HG LEU 2 HG LEU 2 3.386 7.759 -0.383
11 HD11 LEU 2 HD11 LEU 2 3.646 10.275 -1.960
12 HD12 LEU 2 HD12 LEU 2 3.582 10.366 -0.199
13 HD13 LEU 2 HD13 LEU 2 2.253 9.625 -1.092
14 HD21 LEU 2 HD21 LEU 2 4.707 6.869 -2.270
15 HD22 LEU 2 HD22 LEU 2 4.743 8.485 -2.976
16 HD23 LEU 2 HD23 LEU 2 3.208 7.637 -2.787
17 H LEU 3 H LEU 3 2.873 8.822 1.605
18 HA LEU 3 HA LEU 3 3.170 7.368 4.053
19 HB2 LEU 3 HB2 LEU 3 0.741 7.990 2.371
20 HB3 LEU 3 HB1 LEU 3 0.667 7.137 3.898
21 HG LEU 3 HG LEU 3 1.775 9.212 4.920
22 HD11 LEU 3 HD11 LEU 3 2.415 10.808 3.518
23 HD12 LEU 3 HD12 LEU 3 0.709 11.138 3.215
24 HD13 LEU 3 HD13 LEU 3 1.594 10.033 2.163
25 HD21 LEU 3 HD21 LEU 3 -0.960 8.651 4.188
26 HD22 LEU 3 HD22 LEU 3 -0.675 10.385 4.345
27 HD23 LEU 3 HD23 LEU 3 -0.305 9.305 5.690
28 H CYS 4 H CYS 4 4.582 5.851 2.511
29 HA CYS 4 HA CYS 4 3.064 3.803 1.178
30 HB2 CYS 4 HB2 CYS 4 5.988 3.940 1.921
31 HB3 CYS 4 HB1 CYS 4 5.256 2.666 0.952
32 H TYR 5 H TYR 5 2.509 1.824 1.900
33 HA TYR 5 HA TYR 5 3.631 0.672 4.250
34 HB2 TYR 5 HB2 TYR 5 1.393 0.520 5.471
35 HB3 TYR 5 HB1 TYR 5 2.251 2.050 5.554
36 HD1 TYR 5 HD2 TYR 5 -0.152 0.533 3.094
37 HD2 TYR 5 HD1 TYR 5 0.810 3.816 5.623
38 HE1 TYR 5 HE2 TYR 5 -2.176 1.704 2.337
39 HE2 TYR 5 HE1 TYR 5 -1.213 4.991 4.879
40 HH TYR 5 HH TYR 5 -3.043 3.988 2.186
41 H CYS 6 H CYS 6 2.692 -1.451 4.720
42 HA CYS 6 HA CYS 6 2.119 -2.779 2.245
43 HB2 CYS 6 HB2 CYS 6 2.402 -3.857 5.052
44 HB3 CYS 6 HB1 CYS 6 2.268 -4.844 3.599
45 H GLY 7 H GLY 7 0.198 -3.042 1.434
46 HA2 GLY 7 HA2 GLY 7 -2.175 -2.902 3.135
47 HA3 GLY 7 HA1 GLY 7 -2.146 -2.869 1.374
48 H LYS 8 H LYS 8 -3.533 -4.613 3.469
49 HA LYS 8 HA LYS 8 -2.467 -7.215 2.752
50 HB2 LYS 8 HB2 LYS 8 -4.197 -8.105 4.315
51 HB3 LYS 8 HB1 LYS 8 -3.043 -7.017 5.067
52 HG2 LYS 8 HG2 LYS 8 -4.664 -5.234 5.075
53 HG3 LYS 8 HG1 LYS 8 -5.816 -6.239 4.191
54 HD2 LYS 8 HD2 LYS 8 -5.914 -7.800 6.052
55 HD3 LYS 8 HD1 LYS 8 -4.708 -6.858 6.930
56 HE2 LYS 8 HE2 LYS 8 -7.416 -5.838 6.081
57 HE3 LYS 8 HE1 LYS 8 -7.028 -6.439 7.690
58 HZ1 LYS 8 HZ1 LYS 8 -6.129 -3.969 6.376
59 HZ2 LYS 8 HZ2 LYS 8 -5.173 -4.664 7.585
60 HZ3 LYS 8 HZ3 LYS 8 -6.760 -4.184 7.933
61 H GLY 9 H GLY 9 -3.278 -8.463 1.245
62 HA2 GLY 9 HA2 GLY 9 -4.840 -9.369 -0.213
63 HA3 GLY 9 HA1 GLY 9 -6.034 -8.238 0.403
64 H HIS 10 H HIS 10 -4.897 -5.796 -0.073
65 HA HIS 10 HA HIS 10 -3.692 -5.418 -2.569
66 HB2 HIS 10 HB2 HIS 10 -5.555 -4.774 -4.007
67 HB3 HIS 10 HB1 HIS 10 -5.750 -6.444 -3.494
68 HD1 HIS 10 HD1 HIS 10 -7.085 -2.983 -2.668
69 HD2 HIS 10 HD2 HIS 10 -8.171 -6.991 -2.339
70 HE1 HIS 10 HE1 HIS 10 -9.452 -2.978 -1.817
71 HE2 HIS 10 HE2 HIS 10 -10.032 -5.406 -1.486
72 H CYS 11 H CYS 11 -3.768 -3.163 -3.288
73 HA CYS 11 HA CYS 11 -3.886 -1.354 -1.048
74 HB2 CYS 11 HB2 CYS 11 -3.428 -0.638 -3.949
75 HB3 CYS 11 HB1 CYS 11 -2.928 0.268 -2.527
76 H LYS 12 H LYS 12 -5.078 0.750 -1.261
77 HA LYS 12 HA LYS 12 -7.768 0.190 -2.276
78 HB2 LYS 12 HB2 LYS 12 -7.669 2.712 -0.947
79 HB3 LYS 12 HB1 LYS 12 -8.479 1.234 -0.440
80 HG2 LYS 12 HG2 LYS 12 -6.066 0.564 0.342
81 HG3 LYS 12 HG1 LYS 12 -5.826 2.310 0.347
82 HD2 LYS 12 HD2 LYS 12 -7.717 2.576 1.865
83 HD3 LYS 12 HD1 LYS 12 -7.998 0.834 1.831
84 HE2 LYS 12 HE2 LYS 12 -6.786 1.423 3.843
85 HE3 LYS 12 HE1 LYS 12 -5.753 0.472 2.776
86 HZ1 LYS 12 HZ1 LYS 12 -5.661 3.403 3.221
87 HZ2 LYS 12 HZ2 LYS 12 -4.806 2.627 1.982
88 HZ3 LYS 12 HZ3 LYS 12 -4.467 2.266 3.599
89 H ARG 13 H ARG 13 -8.922 1.729 -3.526
90 HA ARG 13 HA ARG 13 -7.662 2.595 -5.797
91 HB2 ARG 13 HB2 ARG 13 -10.136 2.328 -5.400
92 HB3 ARG 13 HB1 ARG 13 -10.117 3.903 -4.623
93 HG2 ARG 13 HG2 ARG 13 -8.950 3.790 -7.326
94 HG3 ARG 13 HG1 ARG 13 -10.688 3.513 -7.218
95 HD2 ARG 13 HD2 ARG 13 -10.915 5.626 -5.962
96 HD3 ARG 13 HD1 ARG 13 -9.185 5.907 -6.160
97 HE ARG 13 HE ARG 13 -10.230 5.505 -8.698
98 HH11 ARG 13 HH11 ARG 13 -10.625 7.803 -6.088
99 HH12 ARG 13 HH12 ARG 13 -11.017 9.125 -7.136
100 HH21 ARG 13 HH21 ARG 13 -10.747 7.245 -10.090
101 HH22 ARG 13 HH22 ARG 13 -11.085 8.806 -9.423
102 H GLY 14 H GLY 14 -5.986 3.912 -5.897
103 HA2 GLY 14 HA2 GLY 14 -5.614 6.413 -6.013
104 HA3 GLY 14 HA1 GLY 14 -6.035 6.395 -4.305
105 H GLU 15 H GLU 15 -4.686 3.776 -3.976
106 HA GLU 15 HA GLU 15 -2.021 4.828 -3.508
107 HB2 GLU 15 HB2 GLU 15 -3.321 2.214 -2.760
108 HB3 GLU 15 HB1 GLU 15 -1.694 2.678 -2.294
109 HG2 GLU 15 HG2 GLU 15 -2.501 4.441 -0.947
110 HG3 GLU 15 HG1 GLU 15 -4.132 4.276 -1.594
111 H ARG 16 H ARG 16 -0.203 4.219 -4.565
112 HA ARG 16 HA ARG 16 -0.555 2.597 -6.963
113 HB2 ARG 16 HB2 ARG 16 1.929 4.065 -6.065
114 HB3 ARG 16 HB1 ARG 16 1.562 3.478 -7.679
115 HG2 ARG 16 HG2 ARG 16 -0.158 5.133 -7.951
116 HG3 ARG 16 HG1 ARG 16 0.028 5.656 -6.274
117 HD2 ARG 16 HD2 ARG 16 2.391 6.262 -6.805
118 HD3 ARG 16 HD1 ARG 16 2.056 5.893 -8.494
119 HE ARG 16 HE ARG 16 1.412 8.282 -7.113
120 HH11 ARG 16 HH11 ARG 16 0.208 6.143 -9.612
121 HH12 ARG 16 HH12 ARG 16 -0.742 7.367 -10.385
122 HH21 ARG 16 HH21 ARG 16 0.171 9.906 -8.136
123 HH22 ARG 16 HH22 ARG 16 -0.762 9.516 -9.543
124 H VAL 17 H VAL 17 0.072 0.524 -7.055
125 HA VAL 17 HA VAL 17 1.225 -0.759 -4.787
126 HB VAL 17 HB VAL 17 -0.356 -1.946 -6.225
127 HG11 VAL 17 HG11 VAL 17 -0.146 -1.426 -8.414
128 HG12 VAL 17 HG21 VAL 17 0.866 -2.870 -8.422
129 HG13 VAL 17 3HG1 VAL 17 1.609 -1.273 -8.325
130 HG21 VAL 17 HG12 VAL 17 2.061 -3.559 -6.705
131 HG22 VAL 17 HG22 VAL 17 0.573 -3.962 -5.848
132 HG23 VAL 17 HG23 VAL 17 1.822 -3.009 -5.047
133 H ARG 18 H ARG 18 3.291 -1.333 -4.383
134 HA ARG 18 HA ARG 18 5.296 -0.496 -6.369
135 HB2 ARG 18 HB2 ARG 18 5.475 -0.652 -3.360
136 HB3 ARG 18 HB1 ARG 18 6.857 -0.348 -4.407
137 HG2 ARG 18 HG2 ARG 18 4.408 1.375 -4.096
138 HG3 ARG 18 HG1 ARG 18 6.048 1.737 -3.548
139 HD2 ARG 18 HD2 ARG 18 5.178 1.377 -6.414
140 HD3 ARG 18 HD1 ARG 18 5.518 2.919 -5.626
141 HE ARG 18 HE ARG 18 7.804 1.478 -5.285
142 HH11 ARG 18 HH11 ARG 18 5.879 2.329 -8.074
143 HH12 ARG 18 HH12 ARG 18 7.233 2.428 -9.148
144 HH21 ARG 18 HH21 ARG 18 9.606 1.601 -6.694
145 HH22 ARG 18 HH22 ARG 18 9.363 2.011 -8.359
146 H GLY 19 H GLY 19 4.319 -3.070 -4.212
147 HA2 GLY 19 HA2 GLY 19 5.345 -5.127 -5.767
148 HA3 GLY 19 HA1 GLY 19 6.583 -4.729 -4.581
149 H THR 20 H THR 20 6.340 -6.777 -3.578
150 HA THR 20 HA THR 20 3.841 -7.047 -2.042
151 HB THR 20 HB THR 20 4.481 -9.509 -1.911
152 HG1 THR 20 HG1 THR 20 6.618 -9.331 -2.686
153 HG21 THR 20 HG12 THR 20 2.714 -9.464 -3.292
154 HG22 THR 20 HG22 THR 20 3.890 -9.598 -4.600
155 HG23 THR 20 HG23 THR 20 3.287 -8.013 -4.115
156 H CYS 21 H CYS 21 3.975 -7.357 0.115
157 HA CYS 21 HA CYS 21 6.603 -6.963 1.328
158 HB2 CYS 21 HB2 CYS 21 3.836 -6.898 2.550
159 HB3 CYS 21 HB1 CYS 21 5.330 -6.572 3.420
160 H GLY 22 H GLY 22 3.946 -9.257 1.225
161 HA2 GLY 22 HA2 GLY 22 5.562 -11.482 1.749
162 HA3 GLY 22 HA1 GLY 22 4.812 -10.984 3.260
163 H ILE 23 H ILE 23 3.662 -12.974 3.305
164 HA ILE 23 HA ILE 23 1.974 -13.854 1.252
165 HB ILE 23 HB ILE 23 0.772 -15.121 3.075
166 HG12 ILE 23 HG21 ILE 23 2.968 -13.937 4.793
167 HG13 ILE 23 HG11 ILE 23 1.258 -13.541 4.919
168 HG21 ILE 23 HG12 ILE 23 2.852 -16.520 3.584
169 HG22 ILE 23 HG22 ILE 23 3.726 -15.341 2.605
170 HG23 ILE 23 HG23 ILE 23 2.417 -16.283 1.892
171 HD11 ILE 23 HD11 ILE 23 2.294 -16.334 5.277
172 HD12 ILE 23 HD12 ILE 23 0.723 -15.677 5.738
173 HD13 ILE 23 HD13 ILE 23 2.175 -15.178 6.604
174 H ARG 24 H ARG 24 0.331 -12.881 0.422
175 HA ARG 24 HA ARG 24 -1.583 -11.721 0.106
176 HB2 ARG 24 HB2 ARG 24 -2.340 -13.317 1.931
177 HB3 ARG 24 HB1 ARG 24 -2.091 -12.002 3.068
178 HG2 ARG 24 HG2 ARG 24 -4.414 -12.117 2.505
179 HG3 ARG 24 HG1 ARG 24 -3.732 -10.649 1.804
180 HD2 ARG 24 HD2 ARG 24 -5.189 -11.693 0.196
181 HD3 ARG 24 HD1 ARG 24 -3.524 -11.826 -0.361
182 HE ARG 24 HE ARG 24 -3.767 -14.085 -0.331
183 HH11 ARG 24 HH11 ARG 24 -6.166 -12.738 1.843
184 HH12 ARG 24 HH12 ARG 24 -6.863 -14.275 2.234
185 HH21 ARG 24 HH21 ARG 24 -4.694 -16.116 0.182
186 HH22 ARG 24 HH22 ARG 24 -6.022 -16.198 1.287
187 H PHE 25 H PHE 25 0.978 -10.349 1.061
188 HA PHE 25 HA PHE 25 -0.342 -7.800 1.727
189 HB2 PHE 25 HB2 PHE 25 2.123 -8.957 2.983
190 HB3 PHE 25 HB1 PHE 25 1.915 -7.212 2.857
191 HD1 PHE 25 HD2 PHE 25 -0.075 -10.188 3.949
192 HD2 PHE 25 HD1 PHE 25 1.043 -6.147 4.668
193 HE1 PHE 25 HE2 PHE 25 -1.417 -10.187 6.010
194 HE2 PHE 25 HE1 PHE 25 -0.287 -6.142 6.735
195 HZ PHE 25 HZ PHE 25 -1.525 -8.163 7.408
196 H LEU 26 H LEU 26 0.248 -6.077 0.617
197 HA LEU 26 HA LEU 26 2.502 -6.315 -1.265
198 HB2 LEU 26 HB2 LEU 26 -0.294 -5.340 -1.809
199 HB3 LEU 26 HB1 LEU 26 1.059 -4.855 -2.811
200 HG LEU 26 HG LEU 26 1.459 -7.390 -3.118
201 HD11 LEU 26 HD11 LEU 26 -0.210 -8.885 -2.668
202 HD12 LEU 26 HD12 LEU 26 -1.472 -7.653 -2.684
203 HD13 LEU 26 HD13 LEU 26 -0.392 -7.791 -1.297
204 HD21 LEU 26 HD21 LEU 26 -1.007 -6.833 -4.536
205 HD22 LEU 26 HD22 LEU 26 0.632 -7.041 -5.152
206 HD23 LEU 26 HD23 LEU 26 0.106 -5.465 -4.558
207 H TYR 27 H TYR 27 3.608 -4.397 -1.710
208 HA TYR 27 HA TYR 27 3.436 -2.414 0.388
209 HB2 TYR 27 HB2 TYR 27 5.582 -3.338 -0.760
210 HB3 TYR 27 HB1 TYR 27 5.202 -2.195 -2.043
211 HD1 TYR 27 HD2 TYR 27 4.854 -1.811 1.648
212 HD2 TYR 27 HD1 TYR 27 6.848 -0.563 -1.894
213 HE1 TYR 27 HE2 TYR 27 5.985 -0.036 2.920
214 HE2 TYR 27 HE1 TYR 27 7.988 1.214 -0.634
215 HH TYR 27 HH TYR 27 7.780 1.422 2.848
216 H CYS 28 H CYS 28 2.198 -0.618 0.268
217 HA CYS 28 HA CYS 28 1.353 0.243 -2.423
218 HB2 CYS 28 HB2 CYS 28 -0.223 0.520 0.142
219 HB3 CYS 28 HB1 CYS 28 -0.777 0.892 -1.487
220 H CYS 29 H CYS 29 1.527 2.321 -2.955
221 HA CYS 29 HA CYS 29 2.282 4.262 -0.875
222 HB2 CYS 29 HB2 CYS 29 3.531 3.939 -3.617
223 HB3 CYS 29 HB1 CYS 29 3.779 5.340 -2.583
224 HA PRO 30 HA PRO 30 -1.457 5.787 -2.970
225 HB2 PRO 30 HB2 PRO 30 -2.042 7.608 -1.014
226 HB3 PRO 30 HB1 PRO 30 -2.525 5.904 -0.972
227 HG2 PRO 30 HG2 PRO 30 -0.205 7.250 0.366
228 HG3 PRO 30 HG1 PRO 30 -1.318 6.029 1.013
229 HD2 PRO 30 HD2 PRO 30 1.145 5.387 0.148
230 HD3 PRO 30 HD1 PRO 30 -0.236 4.291 -0.064
231 H ARG 31 H ARG 31 -2.051 7.758 -3.917
232 HA ARG 31 HA ARG 31 0.064 9.255 -4.966
233 HB2 ARG 31 HB2 ARG 31 -1.887 10.849 -5.659
234 HB3 ARG 31 HB1 ARG 31 -1.752 9.249 -6.366
235 HG2 ARG 31 HG2 ARG 31 -4.014 9.470 -5.893
236 HG3 ARG 31 HG1 ARG 31 -3.401 8.508 -4.550
237 HD2 ARG 31 HD2 ARG 31 -3.353 11.411 -4.105
238 HD3 ARG 31 HD1 ARG 31 -4.964 10.728 -4.313
239 HE ARG 31 HE ARG 31 -3.260 10.458 -2.041
240 HH11 ARG 31 HH11 ARG 31 -5.775 8.813 -3.858
241 HH12 ARG 31 HH12 ARG 31 -6.236 7.799 -2.532
242 HH21 ARG 31 HH21 ARG 31 -3.847 9.134 -0.317
243 HH22 ARG 31 HH22 ARG 31 -5.143 7.982 -0.511
244 H ARG 32 H ARG 32 -1.618 9.637 -2.031
245 HA ARG 32 HA ARG 32 0.061 11.620 -1.016
246 HB2 ARG 32 HB2 ARG 32 -1.969 12.702 -2.666
247 HB3 ARG 32 HB1 ARG 32 -2.493 12.983 -1.012
248 HG2 ARG 32 HG2 ARG 32 0.057 13.912 -2.314
249 HG3 ARG 32 HG1 ARG 32 -1.283 14.901 -1.734
250 HD2 ARG 32 HD2 ARG 32 0.674 13.306 -0.093
251 HD3 ARG 32 HD1 ARG 32 0.481 15.058 -0.136
252 HE ARG 32 HE ARG 32 -1.107 13.139 1.334
253 HH11 ARG 32 HH11 ARG 32 -0.957 16.412 0.072
254 HH12 ARG 32 HH12 ARG 32 -2.230 16.998 1.085
255 HH21 ARG 32 HH21 ARG 32 -2.780 13.899 2.658
256 HH22 ARG 32 HH22 ARG 32 -3.278 15.557 2.572
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 12.016 9.929 2.160
2 H2 GLY 1 HT2 GLY 1 11.836 8.259 1.953
3 H3 GLY 1 HT3 GLY 1 10.664 9.139 2.801
4 HA2 GLY 1 HA1 GLY 1 10.745 10.422 0.420
5 HA3 GLY 1 HA2 GLY 1 10.956 8.731 -0.021
6 H LEU 2 H LEU 2 8.944 8.379 -0.902
7 HA LEU 2 HA LEU 2 6.533 9.209 0.372
8 HB2 LEU 2 HB2 LEU 2 6.814 8.794 -2.089
9 HB3 LEU 2 HB1 LEU 2 6.885 7.078 -1.737
10 HG LEU 2 HG LEU 2 4.595 7.170 -0.834
11 HD11 LEU 2 HD11 LEU 2 4.709 10.055 -1.707
12 HD12 LEU 2 HD12 LEU 2 4.554 9.457 -0.055
13 HD13 LEU 2 HD13 LEU 2 3.248 9.199 -1.212
14 HD21 LEU 2 HD21 LEU 2 4.947 6.606 -3.182
15 HD22 LEU 2 HD22 LEU 2 4.880 8.315 -3.611
16 HD23 LEU 2 HD23 LEU 2 3.449 7.511 -2.968
17 H LEU 3 H LEU 3 5.177 8.082 1.699
18 HA LEU 3 HA LEU 3 6.308 5.845 3.086
19 HB2 LEU 3 HB2 LEU 3 4.525 6.037 4.644
20 HB3 LEU 3 HB1 LEU 3 5.090 7.644 4.269
21 HG LEU 3 HG LEU 3 2.786 7.870 4.452
22 HD11 LEU 3 HD11 LEU 3 2.252 7.593 1.686
23 HD12 LEU 3 HD12 LEU 3 3.903 8.182 1.883
24 HD13 LEU 3 HD13 LEU 3 2.559 9.057 2.620
25 HD21 LEU 3 HD21 LEU 3 1.603 6.000 4.538
26 HD22 LEU 3 HD22 LEU 3 2.707 5.142 3.463
27 HD23 LEU 3 HD23 LEU 3 1.438 6.165 2.790
28 H CYS 4 H CYS 4 5.510 3.767 3.245
29 HA CYS 4 HA CYS 4 3.427 2.951 1.358
30 HB2 CYS 4 HB2 CYS 4 6.145 1.630 1.535
31 HB3 CYS 4 HB1 CYS 4 4.808 1.120 0.514
32 H TYR 5 H TYR 5 2.419 0.956 1.902
33 HA TYR 5 HA TYR 5 3.313 -0.458 4.252
34 HB2 TYR 5 HB2 TYR 5 0.984 -0.237 5.325
35 HB3 TYR 5 HB1 TYR 5 2.122 1.084 5.522
36 HD1 TYR 5 HD1 TYR 5 -0.315 0.189 2.802
37 HD2 TYR 5 HD2 TYR 5 1.014 3.069 5.636
38 HE1 TYR 5 HE1 TYR 5 -2.010 1.773 1.983
39 HE2 TYR 5 HE2 TYR 5 -0.672 4.659 4.824
40 HH TYR 5 HH TYR 5 -2.938 3.777 2.225
41 H CYS 6 H CYS 6 1.797 -2.300 4.772
42 HA CYS 6 HA CYS 6 1.325 -3.713 2.328
43 HB2 CYS 6 HB2 CYS 6 0.900 -4.523 5.205
44 HB3 CYS 6 HB1 CYS 6 0.748 -5.604 3.826
45 H GLY 7 H GLY 7 -0.434 -3.204 1.207
46 HA2 GLY 7 HA2 GLY 7 -2.952 -2.526 2.428
47 HA3 GLY 7 HA1 GLY 7 -2.639 -2.732 0.706
48 H LYS 8 H LYS 8 -4.755 -3.797 2.602
49 HA LYS 8 HA LYS 8 -4.290 -6.648 2.569
50 HB2 LYS 8 HB2 LYS 8 -6.787 -5.126 3.337
51 HB3 LYS 8 HB1 LYS 8 -6.451 -6.819 3.675
52 HG2 LYS 8 HG2 LYS 8 -4.927 -4.467 4.779
53 HG3 LYS 8 HG1 LYS 8 -6.127 -5.428 5.647
54 HD2 LYS 8 HD2 LYS 8 -4.727 -7.399 5.463
55 HD3 LYS 8 HD1 LYS 8 -3.554 -6.506 4.492
56 HE2 LYS 8 HE2 LYS 8 -2.796 -6.698 6.796
57 HE3 LYS 8 HE1 LYS 8 -3.126 -5.015 6.387
58 HZ1 LYS 8 HZ1 LYS 8 -3.997 -5.543 8.558
59 HZ2 LYS 8 HZ2 LYS 8 -4.908 -6.823 7.930
60 HZ3 LYS 8 HZ3 LYS 8 -5.280 -5.231 7.498
61 H GLY 9 H GLY 9 -4.449 -7.655 0.678
62 HA2 GLY 9 HA2 GLY 9 -5.504 -8.584 -1.150
63 HA3 GLY 9 HA1 GLY 9 -6.948 -7.684 -0.724
64 H HIS 10 H HIS 10 -5.868 -5.070 -0.830
65 HA HIS 10 HA HIS 10 -4.556 -4.597 -3.315
66 HB2 HIS 10 HB2 HIS 10 -6.420 -3.582 -4.537
67 HB3 HIS 10 HB1 HIS 10 -6.766 -5.273 -4.197
68 HD1 HIS 10 HD1 HIS 10 -7.655 -1.814 -2.872
69 HD2 HIS 10 HD2 HIS 10 -9.138 -5.707 -2.928
70 HE1 HIS 10 HE1 HIS 10 -9.938 -1.689 -1.822
71 HE2 HIS 10 HE2 HIS 10 -10.747 -4.072 -1.733
72 H CYS 11 H CYS 11 -4.491 -2.247 -3.808
73 HA CYS 11 HA CYS 11 -4.146 -0.764 -1.375
74 HB2 CYS 11 HB2 CYS 11 -3.920 0.254 -4.209
75 HB3 CYS 11 HB1 CYS 11 -3.216 0.966 -2.763
76 H LYS 12 H LYS 12 -5.014 1.392 -1.104
77 HA LYS 12 HA LYS 12 -7.869 1.467 -1.743
78 HB2 LYS 12 HB2 LYS 12 -7.183 1.730 0.607
79 HB3 LYS 12 HB1 LYS 12 -6.197 3.117 0.174
80 HG2 LYS 12 HG2 LYS 12 -8.150 4.394 -0.390
81 HG3 LYS 12 HG1 LYS 12 -9.186 2.989 -0.149
82 HD2 LYS 12 HD2 LYS 12 -9.323 4.463 1.770
83 HD3 LYS 12 HD1 LYS 12 -8.548 2.948 2.228
84 HE2 LYS 12 HE2 LYS 12 -6.839 5.244 1.395
85 HE3 LYS 12 HE1 LYS 12 -7.575 5.274 2.995
86 HZ1 LYS 12 HZ1 LYS 12 -5.475 3.529 1.936
87 HZ2 LYS 12 HZ2 LYS 12 -6.568 2.845 3.038
88 HZ3 LYS 12 HZ3 LYS 12 -5.657 4.197 3.484
89 H ARG 13 H ARG 13 -8.820 3.526 -2.489
90 HA ARG 13 HA ARG 13 -7.655 4.528 -4.786
91 HB2 ARG 13 HB2 ARG 13 -10.046 4.761 -4.243
92 HB3 ARG 13 HB1 ARG 13 -9.647 5.923 -2.986
93 HG2 ARG 13 HG2 ARG 13 -8.715 7.422 -4.713
94 HG3 ARG 13 HG1 ARG 13 -9.226 6.270 -5.947
95 HD2 ARG 13 HD2 ARG 13 -11.056 7.655 -3.987
96 HD3 ARG 13 HD1 ARG 13 -10.819 8.133 -5.667
97 HE ARG 13 HE ARG 13 -12.486 6.036 -4.695
98 HH11 ARG 13 HH11 ARG 13 -10.540 7.020 -7.435
99 HH12 ARG 13 HH12 ARG 13 -11.381 6.010 -8.563
100 HH21 ARG 13 HH21 ARG 13 -13.605 4.702 -6.181
101 HH22 ARG 13 HH22 ARG 13 -13.131 4.690 -7.848
102 H GLY 14 H GLY 14 -5.929 5.760 -5.100
103 HA2 GLY 14 HA2 GLY 14 -4.888 7.947 -4.753
104 HA3 GLY 14 HA1 GLY 14 -5.217 7.747 -3.037
105 H GLU 15 H GLU 15 -4.475 4.883 -3.198
106 HA GLU 15 HA GLU 15 -1.631 5.247 -2.776
107 HB2 GLU 15 HB2 GLU 15 -3.326 2.771 -2.466
108 HB3 GLU 15 HB1 GLU 15 -1.694 2.995 -1.861
109 HG2 GLU 15 HG2 GLU 15 -2.424 4.600 -0.275
110 HG3 GLU 15 HG1 GLU 15 -4.032 4.666 -0.995
111 H ARG 16 H ARG 16 -0.065 4.616 -4.138
112 HA ARG 16 HA ARG 16 -0.891 3.295 -6.619
113 HB2 ARG 16 HB2 ARG 16 0.417 5.455 -6.669
114 HB3 ARG 16 HB1 ARG 16 1.772 4.578 -5.976
115 HG2 ARG 16 HG2 ARG 16 0.642 3.371 -8.400
116 HG3 ARG 16 HG1 ARG 16 1.367 4.963 -8.627
117 HD2 ARG 16 HD2 ARG 16 3.389 4.060 -7.388
118 HD3 ARG 16 HD1 ARG 16 2.662 2.463 -7.560
119 HE ARG 16 HE ARG 16 3.947 4.029 -9.608
120 HH11 ARG 16 HH11 ARG 16 1.824 1.328 -8.946
121 HH12 ARG 16 HH12 ARG 16 1.884 0.716 -10.565
122 HH21 ARG 16 HH21 ARG 16 4.043 3.217 -11.745
123 HH22 ARG 16 HH22 ARG 16 3.154 1.790 -12.161
124 H VAL 17 H VAL 17 -0.553 1.196 -6.839
125 HA VAL 17 HA VAL 17 0.711 -0.370 -4.875
126 HB VAL 17 HB VAL 17 -1.050 -1.306 -6.253
127 HG11 VAL 17 HG11 VAL 17 0.320 -0.114 -8.386
128 HG12 VAL 17 HG21 VAL 17 -1.172 -1.053 -8.452
129 HG13 VAL 17 3HG1 VAL 17 0.384 -1.852 -8.677
130 HG21 VAL 17 HG12 VAL 17 0.151 -3.404 -7.054
131 HG22 VAL 17 HG22 VAL 17 0.329 -2.974 -5.354
132 HG23 VAL 17 HG23 VAL 17 1.633 -2.632 -6.491
133 H ARG 18 H ARG 18 2.730 -1.070 -4.634
134 HA ARG 18 HA ARG 18 4.722 -0.202 -6.614
135 HB2 ARG 18 HB2 ARG 18 5.037 0.608 -4.312
136 HB3 ARG 18 HB1 ARG 18 5.063 -1.050 -3.727
137 HG2 ARG 18 HG2 ARG 18 7.302 -0.468 -3.807
138 HG3 ARG 18 HG1 ARG 18 7.062 -1.361 -5.308
139 HD2 ARG 18 HD2 ARG 18 8.358 0.582 -5.806
140 HD3 ARG 18 HD1 ARG 18 6.743 0.821 -6.472
141 HE ARG 18 HE ARG 18 6.531 2.643 -5.128
142 HH11 ARG 18 HH11 ARG 18 8.998 0.585 -3.728
143 HH12 ARG 18 HH12 ARG 18 9.350 1.672 -2.427
144 HH21 ARG 18 HH21 ARG 18 7.007 4.083 -3.415
145 HH22 ARG 18 HH22 ARG 18 8.208 3.658 -2.244
146 H GLY 19 H GLY 19 3.713 -2.968 -4.666
147 HA2 GLY 19 HA2 GLY 19 4.056 -4.945 -6.531
148 HA3 GLY 19 HA1 GLY 19 5.636 -4.772 -5.775
149 H THR 20 H THR 20 5.801 -6.541 -4.495
150 HA THR 20 HA THR 20 3.523 -7.378 -2.896
151 HB THR 20 HB THR 20 5.188 -9.170 -2.128
152 HG1 THR 20 HG1 THR 20 7.110 -8.188 -2.813
153 HG21 THR 20 HG12 THR 20 5.092 -9.895 -4.841
154 HG22 THR 20 HG22 THR 20 3.675 -8.882 -4.561
155 HG23 THR 20 HG23 THR 20 3.938 -10.321 -3.576
156 H CYS 21 H CYS 21 3.398 -7.232 -0.690
157 HA CYS 21 HA CYS 21 5.436 -5.538 0.593
158 HB2 CYS 21 HB2 CYS 21 2.952 -4.867 0.532
159 HB3 CYS 21 HB1 CYS 21 2.704 -6.151 1.710
160 H GLY 22 H GLY 22 3.517 -8.467 1.014
161 HA2 GLY 22 HA2 GLY 22 5.584 -9.894 2.274
162 HA3 GLY 22 HA1 GLY 22 4.492 -9.270 3.506
163 H ILE 23 H ILE 23 3.998 -11.517 3.989
164 HA ILE 23 HA ILE 23 2.875 -13.265 2.101
165 HB ILE 23 HB ILE 23 1.852 -14.421 4.099
166 HG12 ILE 23 HG21 ILE 23 3.470 -12.362 5.624
167 HG13 ILE 23 HG11 ILE 23 1.711 -12.413 5.553
168 HG21 ILE 23 HG12 ILE 23 4.812 -13.884 3.975
169 HG22 ILE 23 HG22 ILE 23 3.918 -15.197 3.209
170 HG23 ILE 23 HG23 ILE 23 4.088 -15.152 4.963
171 HD11 ILE 23 HD11 ILE 23 1.613 -13.922 7.175
172 HD12 ILE 23 HD12 ILE 23 3.327 -13.610 7.443
173 HD13 ILE 23 HD13 ILE 23 2.826 -14.943 6.403
174 H ARG 24 H ARG 24 1.176 -12.878 0.953
175 HA ARG 24 HA ARG 24 -0.903 -12.303 0.257
176 HB2 ARG 24 HB2 ARG 24 -1.554 -12.659 3.187
177 HB3 ARG 24 HB1 ARG 24 -2.757 -12.425 1.929
178 HG2 ARG 24 HG2 ARG 24 -0.820 -14.726 2.080
179 HG3 ARG 24 HG1 ARG 24 -2.517 -14.776 2.562
180 HD2 ARG 24 HD2 ARG 24 -3.139 -14.153 0.240
181 HD3 ARG 24 HD1 ARG 24 -1.438 -14.258 -0.207
182 HE ARG 24 HE ARG 24 -3.263 -16.413 0.069
183 HH11 ARG 24 HH11 ARG 24 0.106 -15.577 0.543
184 HH12 ARG 24 HH12 ARG 24 0.667 -17.210 0.407
185 HH21 ARG 24 HH21 ARG 24 -2.528 -18.573 -0.111
186 HH22 ARG 24 HH22 ARG 24 -0.837 -18.919 0.037
187 H PHE 25 H PHE 25 1.011 -10.214 1.116
188 HA PHE 25 HA PHE 25 -0.959 -8.076 1.612
189 HB2 PHE 25 HB2 PHE 25 1.908 -8.179 2.567
190 HB3 PHE 25 HB1 PHE 25 0.843 -6.785 2.709
191 HD1 PHE 25 HD2 PHE 25 -1.669 -7.984 3.586
192 HD2 PHE 25 HD1 PHE 25 2.333 -8.891 4.713
193 HE1 PHE 25 HE2 PHE 25 -2.473 -8.825 5.753
194 HE2 PHE 25 HE1 PHE 25 1.536 -9.732 6.883
195 HZ PHE 25 HZ PHE 25 -0.872 -9.698 7.407
196 H LEU 26 H LEU 26 -0.895 -6.329 0.342
197 HA LEU 26 HA LEU 26 0.936 -6.430 -1.955
198 HB2 LEU 26 HB2 LEU 26 -1.584 -6.345 -2.242
199 HB3 LEU 26 HB1 LEU 26 -1.523 -4.714 -1.604
200 HG LEU 26 HG LEU 26 -0.036 -4.079 -3.500
201 HD11 LEU 26 HD11 LEU 26 -0.693 -6.861 -4.457
202 HD12 LEU 26 HD12 LEU 26 0.901 -6.242 -4.027
203 HD13 LEU 26 HD13 LEU 26 0.056 -5.603 -5.437
204 HD21 LEU 26 HD21 LEU 26 -1.798 -3.661 -4.909
205 HD22 LEU 26 HD22 LEU 26 -2.658 -4.043 -3.418
206 HD23 LEU 26 HD23 LEU 26 -2.502 -5.262 -4.682
207 H TYR 27 H TYR 27 2.395 -4.784 -2.351
208 HA TYR 27 HA TYR 27 2.871 -2.935 -0.172
209 HB2 TYR 27 HB2 TYR 27 4.605 -4.191 -1.716
210 HB3 TYR 27 HB1 TYR 27 4.339 -2.816 -2.781
211 HD1 TYR 27 HD1 TYR 27 4.329 -2.610 0.905
212 HD2 TYR 27 HD2 TYR 27 6.534 -1.910 -2.660
213 HE1 TYR 27 HE1 TYR 27 5.987 -1.328 2.191
214 HE2 TYR 27 HE2 TYR 27 8.198 -0.625 -1.388
215 HH TYR 27 HH TYR 27 8.212 -0.555 2.072
216 H CYS 28 H CYS 28 1.746 -1.092 -0.044
217 HA CYS 28 HA CYS 28 1.019 0.238 -2.572
218 HB2 CYS 28 HB2 CYS 28 -0.573 0.175 -0.002
219 HB3 CYS 28 HB1 CYS 28 -1.042 0.991 -1.491
220 H CYS 29 H CYS 29 1.436 2.343 -2.783
221 HA CYS 29 HA CYS 29 2.385 3.832 -0.424
222 HB2 CYS 29 HB2 CYS 29 3.527 4.144 -3.204
223 HB3 CYS 29 HB1 CYS 29 4.151 4.816 -1.703
224 HA PRO 30 HA PRO 30 -1.051 6.193 -2.229
225 HB2 PRO 30 HB2 PRO 30 -1.529 7.692 -0.017
226 HB3 PRO 30 HB1 PRO 30 -2.151 6.051 -0.251
227 HG2 PRO 30 HG2 PRO 30 0.216 6.976 1.330
228 HG3 PRO 30 HG1 PRO 30 -0.999 5.752 1.744
229 HD2 PRO 30 HD2 PRO 30 1.470 5.123 0.803
230 HD3 PRO 30 HD1 PRO 30 0.037 4.122 0.493
231 H ARG 31 H ARG 31 -1.130 8.106 -3.205
232 HA ARG 31 HA ARG 31 0.985 10.046 -2.564
233 HB2 ARG 31 HB2 ARG 31 1.458 8.957 -4.716
234 HB3 ARG 31 HB1 ARG 31 -0.128 9.430 -5.310
235 HG2 ARG 31 HG2 ARG 31 1.428 10.952 -6.231
236 HG3 ARG 31 HG1 ARG 31 0.562 11.822 -4.968
237 HD2 ARG 31 HD2 ARG 31 3.312 10.599 -4.710
238 HD3 ARG 31 HD1 ARG 31 2.967 12.309 -4.935
239 HE ARG 31 HE ARG 31 2.972 10.890 -2.492
240 HH11 ARG 31 HH11 ARG 31 1.232 13.470 -4.123
241 HH12 ARG 31 HH12 ARG 31 0.658 14.177 -2.650
242 HH21 ARG 31 HH21 ARG 31 2.220 11.839 -0.563
243 HH22 ARG 31 HH22 ARG 31 1.182 13.226 -0.624
244 H ARG 32 H ARG 32 -0.622 10.860 -1.116
245 HA ARG 32 HA ARG 32 -2.315 12.839 -2.430
246 HB2 ARG 32 HB2 ARG 32 -3.818 10.974 -1.868
247 HB3 ARG 32 HB1 ARG 32 -3.244 11.001 -0.205
248 HG2 ARG 32 HG2 ARG 32 -4.053 13.509 -0.339
249 HG3 ARG 32 HG1 ARG 32 -5.083 12.856 -1.614
250 HD2 ARG 32 HD2 ARG 32 -6.115 12.880 0.666
251 HD3 ARG 32 HD1 ARG 32 -6.087 11.303 -0.118
252 HE ARG 32 HE ARG 32 -4.955 10.566 1.699
253 HH11 ARG 32 HH11 ARG 32 -4.048 13.932 1.258
254 HH12 ARG 32 HH12 ARG 32 -2.973 13.946 2.613
255 HH21 ARG 32 HH21 ARG 32 -3.546 10.607 3.498
256 HH22 ARG 32 HH22 ARG 32 -2.697 12.063 3.890
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 3.359 12.485 -0.273
2 H2 GLY 1 HT2 GLY 1 2.408 12.483 1.125
3 H3 GLY 1 HT3 GLY 1 2.451 11.115 0.129
4 HA2 GLY 1 HA1 GLY 1 5.052 11.911 1.036
5 HA3 GLY 1 HA2 GLY 1 3.958 11.484 2.347
6 H LEU 2 H LEU 2 6.344 10.070 1.319
7 HA LEU 2 HA LEU 2 5.378 7.738 -0.045
8 HB2 LEU 2 HB2 LEU 2 7.647 6.870 0.214
9 HB3 LEU 2 HB1 LEU 2 7.644 8.489 -0.448
10 HG LEU 2 HG LEU 2 8.113 8.030 2.488
11 HD11 LEU 2 HD11 LEU 2 10.496 7.953 2.065
12 HD12 LEU 2 HD12 LEU 2 10.217 8.041 0.327
13 HD13 LEU 2 HD13 LEU 2 9.696 6.621 1.233
14 HD21 LEU 2 HD21 LEU 2 9.397 10.135 2.239
15 HD22 LEU 2 HD22 LEU 2 7.689 10.316 1.835
16 HD23 LEU 2 HD23 LEU 2 8.892 10.209 0.551
17 H LEU 3 H LEU 3 3.762 7.886 2.033
18 HA LEU 3 HA LEU 3 4.726 6.328 4.268
19 HB2 LEU 3 HB2 LEU 3 3.048 8.175 4.495
20 HB3 LEU 3 HB1 LEU 3 1.901 7.181 3.619
21 HG LEU 3 HG LEU 3 2.028 5.486 5.423
22 HD11 LEU 3 HD11 LEU 3 3.006 6.452 7.622
23 HD12 LEU 3 HD12 LEU 3 3.968 7.463 6.544
24 HD13 LEU 3 HD13 LEU 3 4.088 5.707 6.445
25 HD21 LEU 3 HD21 LEU 3 1.364 8.168 6.597
26 HD22 LEU 3 HD22 LEU 3 0.589 6.611 6.894
27 HD23 LEU 3 HD23 LEU 3 0.374 7.422 5.343
28 H CYS 4 H CYS 4 5.299 4.767 2.341
29 HA CYS 4 HA CYS 4 3.251 3.123 1.293
30 HB2 CYS 4 HB2 CYS 4 6.170 2.444 1.668
31 HB3 CYS 4 HB1 CYS 4 5.041 1.655 0.573
32 H TYR 5 H TYR 5 2.417 1.199 1.959
33 HA TYR 5 HA TYR 5 3.494 -0.109 4.316
34 HB2 TYR 5 HB2 TYR 5 1.281 -0.109 5.482
35 HB3 TYR 5 HB1 TYR 5 2.056 1.466 5.406
36 HD1 TYR 5 HD1 TYR 5 -0.365 -0.546 3.356
37 HD2 TYR 5 HD2 TYR 5 0.684 3.249 4.969
38 HE1 TYR 5 HE1 TYR 5 -2.421 0.416 2.414
39 HE2 TYR 5 HE2 TYR 5 -1.369 4.219 4.031
40 HH TYR 5 HH TYR 5 -3.072 2.993 1.676
41 H CYS 6 H CYS 6 1.980 -2.056 4.882
42 HA CYS 6 HA CYS 6 1.773 -3.579 2.447
43 HB2 CYS 6 HB2 CYS 6 1.353 -4.327 5.341
44 HB3 CYS 6 HB1 CYS 6 1.218 -5.465 4.006
45 H GLY 7 H GLY 7 0.018 -3.506 1.243
46 HA2 GLY 7 HA2 GLY 7 -2.586 -2.891 2.361
47 HA3 GLY 7 HA1 GLY 7 -2.208 -3.151 0.660
48 H LYS 8 H LYS 8 -4.087 -4.351 2.885
49 HA LYS 8 HA LYS 8 -3.421 -7.122 2.903
50 HB2 LYS 8 HB2 LYS 8 -5.979 -5.690 3.636
51 HB3 LYS 8 HB1 LYS 8 -5.684 -7.402 3.910
52 HG2 LYS 8 HG2 LYS 8 -3.833 -6.861 5.396
53 HG3 LYS 8 HG1 LYS 8 -4.088 -5.140 5.100
54 HD2 LYS 8 HD2 LYS 8 -6.162 -6.981 6.286
55 HD3 LYS 8 HD1 LYS 8 -5.071 -5.974 7.239
56 HE2 LYS 8 HE2 LYS 8 -7.026 -4.951 5.181
57 HE3 LYS 8 HE1 LYS 8 -7.301 -4.955 6.922
58 HZ1 LYS 8 HZ1 LYS 8 -6.008 -3.014 5.404
59 HZ2 LYS 8 HZ2 LYS 8 -4.827 -3.730 6.379
60 HZ3 LYS 8 HZ3 LYS 8 -6.207 -3.054 7.084
61 H GLY 9 H GLY 9 -3.343 -8.102 0.972
62 HA2 GLY 9 HA2 GLY 9 -4.207 -9.250 -0.823
63 HA3 GLY 9 HA1 GLY 9 -5.805 -8.707 -0.347
64 H HIS 10 H HIS 10 -5.093 -5.863 -0.489
65 HA HIS 10 HA HIS 10 -4.203 -5.273 -3.133
66 HB2 HIS 10 HB2 HIS 10 -6.302 -4.548 -4.109
67 HB3 HIS 10 HB1 HIS 10 -6.446 -6.238 -3.641
68 HD1 HIS 10 HD1 HIS 10 -7.460 -6.321 -0.927
69 HD2 HIS 10 HD2 HIS 10 -8.562 -3.231 -3.481
70 HE1 HIS 10 HE1 HIS 10 -9.602 -5.401 0.014
71 HE2 HIS 10 HE2 HIS 10 -10.173 -3.447 -1.469
72 H CYS 11 H CYS 11 -4.102 -3.035 -3.527
73 HA CYS 11 HA CYS 11 -3.938 -1.448 -1.138
74 HB2 CYS 11 HB2 CYS 11 -3.487 -0.658 -4.020
75 HB3 CYS 11 HB1 CYS 11 -3.038 0.289 -2.608
76 H LYS 12 H LYS 12 -4.803 0.779 -1.139
77 HA LYS 12 HA LYS 12 -7.655 0.731 -1.571
78 HB2 LYS 12 HB2 LYS 12 -6.528 1.732 0.435
79 HB3 LYS 12 HB1 LYS 12 -5.875 2.981 -0.610
80 HG2 LYS 12 HG2 LYS 12 -8.317 3.488 -1.197
81 HG3 LYS 12 HG1 LYS 12 -8.710 2.524 0.228
82 HD2 LYS 12 HD2 LYS 12 -7.055 5.045 0.113
83 HD3 LYS 12 HD1 LYS 12 -8.624 4.829 0.885
84 HE2 LYS 12 HE2 LYS 12 -7.231 4.715 2.706
85 HE3 LYS 12 HE1 LYS 12 -7.347 3.009 2.278
86 HZ1 LYS 12 HZ1 LYS 12 -5.072 4.820 2.085
87 HZ2 LYS 12 HZ2 LYS 12 -5.233 3.705 0.828
88 HZ3 LYS 12 HZ3 LYS 12 -5.105 3.165 2.425
89 H ARG 13 H ARG 13 -8.807 2.058 -2.973
90 HA ARG 13 HA ARG 13 -7.628 2.665 -5.463
91 HB2 ARG 13 HB2 ARG 13 -9.850 3.796 -5.923
92 HB3 ARG 13 HB1 ARG 13 -9.925 2.099 -5.472
93 HG2 ARG 13 HG2 ARG 13 -10.659 2.638 -3.268
94 HG3 ARG 13 HG1 ARG 13 -10.360 4.358 -3.532
95 HD2 ARG 13 HD2 ARG 13 -12.373 2.696 -5.042
96 HD3 ARG 13 HD1 ARG 13 -12.752 3.758 -3.686
97 HE ARG 13 HE ARG 13 -11.389 5.266 -5.598
98 HH11 ARG 13 HH11 ARG 13 -14.438 3.584 -5.263
99 HH12 ARG 13 HH12 ARG 13 -15.290 4.635 -6.344
100 HH21 ARG 13 HH21 ARG 13 -12.505 6.664 -7.030
101 HH22 ARG 13 HH22 ARG 13 -14.185 6.394 -7.354
102 H GLY 14 H GLY 14 -5.861 3.977 -4.595
103 HA2 GLY 14 HA2 GLY 14 -6.107 6.678 -5.230
104 HA3 GLY 14 HA1 GLY 14 -6.252 6.543 -3.482
105 H GLU 15 H GLU 15 -4.464 4.127 -3.520
106 HA GLU 15 HA GLU 15 -1.966 5.649 -3.630
107 HB2 GLU 15 HB2 GLU 15 -1.050 3.697 -2.305
108 HB3 GLU 15 HB1 GLU 15 -2.216 4.726 -1.498
109 HG2 GLU 15 HG2 GLU 15 -3.788 2.775 -2.602
110 HG3 GLU 15 HG1 GLU 15 -2.327 1.899 -2.144
111 H ARG 16 H ARG 16 -0.039 4.630 -4.401
112 HA ARG 16 HA ARG 16 -0.593 3.100 -6.830
113 HB2 ARG 16 HB2 ARG 16 1.966 4.424 -5.914
114 HB3 ARG 16 HB1 ARG 16 1.713 3.656 -7.473
115 HG2 ARG 16 HG2 ARG 16 -0.114 5.334 -7.883
116 HG3 ARG 16 HG1 ARG 16 0.440 6.168 -6.429
117 HD2 ARG 16 HD2 ARG 16 2.057 5.604 -8.912
118 HD3 ARG 16 HD1 ARG 16 1.442 7.172 -8.394
119 HE ARG 16 HE ARG 16 3.005 6.231 -6.317
120 HH11 ARG 16 HH11 ARG 16 3.469 7.031 -9.690
121 HH12 ARG 16 HH12 ARG 16 5.121 7.513 -9.491
122 HH21 ARG 16 HH21 ARG 16 5.197 6.867 -6.038
123 HH22 ARG 16 HH22 ARG 16 6.107 7.421 -7.406
124 H VAL 17 H VAL 17 0.129 1.074 -7.204
125 HA VAL 17 HA VAL 17 1.087 -0.441 -4.934
126 HB VAL 17 HB VAL 17 0.609 -1.407 -7.761
127 HG11 VAL 17 HG11 VAL 17 1.730 -2.662 -5.492
128 HG12 VAL 17 HG21 VAL 17 1.323 -3.382 -7.050
129 HG13 VAL 17 3HG1 VAL 17 0.134 -3.368 -5.748
130 HG21 VAL 17 HG12 VAL 17 -1.586 -1.343 -7.426
131 HG22 VAL 17 HG22 VAL 17 -1.293 -0.447 -5.935
132 HG23 VAL 17 HG23 VAL 17 -1.421 -2.206 -5.897
133 H ARG 18 H ARG 18 3.176 -0.642 -4.504
134 HA ARG 18 HA ARG 18 5.145 0.009 -6.542
135 HB2 ARG 18 HB2 ARG 18 5.415 1.000 -4.329
136 HB3 ARG 18 HB1 ARG 18 5.459 -0.599 -3.597
137 HG2 ARG 18 HG2 ARG 18 7.688 0.331 -3.764
138 HG3 ARG 18 HG1 ARG 18 7.532 -1.092 -4.797
139 HD2 ARG 18 HD2 ARG 18 7.120 0.429 -6.723
140 HD3 ARG 18 HD1 ARG 18 7.452 1.797 -5.660
141 HE ARG 18 HE ARG 18 9.678 1.375 -5.880
142 HH11 ARG 18 HH11 ARG 18 7.922 -1.493 -6.898
143 HH12 ARG 18 HH12 ARG 18 9.353 -2.338 -7.395
144 HH21 ARG 18 HH21 ARG 18 11.560 0.252 -6.539
145 HH22 ARG 18 HH22 ARG 18 11.422 -1.346 -7.191
146 H GLY 19 H GLY 19 4.057 -2.725 -4.637
147 HA2 GLY 19 HA2 GLY 19 4.657 -4.725 -6.376
148 HA3 GLY 19 HA1 GLY 19 6.172 -4.467 -5.520
149 H THR 20 H THR 20 6.314 -6.236 -4.257
150 HA THR 20 HA THR 20 3.997 -7.137 -2.747
151 HB THR 20 HB THR 20 5.698 -8.899 -1.949
152 HG1 THR 20 HG1 THR 20 7.618 -7.952 -2.576
153 HG21 THR 20 HG12 THR 20 4.343 -9.953 -3.401
154 HG22 THR 20 HG22 THR 20 5.665 -9.758 -4.551
155 HG23 THR 20 HG23 THR 20 4.340 -8.595 -4.526
156 H CYS 21 H CYS 21 3.836 -7.085 -0.525
157 HA CYS 21 HA CYS 21 5.867 -5.453 0.862
158 HB2 CYS 21 HB2 CYS 21 3.448 -4.582 0.613
159 HB3 CYS 21 HB1 CYS 21 3.026 -5.813 1.798
160 H GLY 22 H GLY 22 3.716 -8.241 1.106
161 HA2 GLY 22 HA2 GLY 22 5.574 -9.764 2.585
162 HA3 GLY 22 HA1 GLY 22 4.357 -9.108 3.673
163 H ILE 23 H ILE 23 3.705 -11.321 4.080
164 HA ILE 23 HA ILE 23 2.778 -13.033 2.050
165 HB ILE 23 HB ILE 23 1.467 -14.156 3.889
166 HG12 ILE 23 HG21 ILE 23 2.915 -12.141 5.627
167 HG13 ILE 23 HG11 ILE 23 1.183 -12.147 5.319
168 HG21 ILE 23 HG12 ILE 23 4.184 -14.140 3.295
169 HG22 ILE 23 HG22 ILE 23 3.294 -15.393 4.159
170 HG23 ILE 23 HG23 ILE 23 4.106 -14.111 5.057
171 HD11 ILE 23 HD11 ILE 23 0.905 -14.191 6.499
172 HD12 ILE 23 HD12 ILE 23 1.874 -13.117 7.507
173 HD13 ILE 23 HD13 ILE 23 2.649 -14.427 6.616
174 H ARG 24 H ARG 24 1.249 -12.592 0.694
175 HA ARG 24 HA ARG 24 -0.686 -11.905 -0.263
176 HB2 ARG 24 HB2 ARG 24 -1.727 -12.285 2.548
177 HB3 ARG 24 HB1 ARG 24 -2.749 -11.967 1.155
178 HG2 ARG 24 HG2 ARG 24 -1.947 -14.042 0.114
179 HG3 ARG 24 HG1 ARG 24 -0.972 -14.365 1.549
180 HD2 ARG 24 HD2 ARG 24 -3.073 -15.610 1.607
181 HD3 ARG 24 HD1 ARG 24 -2.990 -14.436 2.917
182 HE ARG 24 HE ARG 24 -4.838 -13.428 2.060
183 HH11 ARG 24 HH11 ARG 24 -3.399 -15.356 -0.485
184 HH12 ARG 24 HH12 ARG 24 -4.638 -14.995 -1.640
185 HH21 ARG 24 HH21 ARG 24 -6.481 -12.950 0.538
186 HH22 ARG 24 HH22 ARG 24 -6.395 -13.622 -1.055
187 H PHE 25 H PHE 25 1.187 -9.943 0.922
188 HA PHE 25 HA PHE 25 -0.711 -7.702 1.167
189 HB2 PHE 25 HB2 PHE 25 1.963 -7.989 2.547
190 HB3 PHE 25 HB1 PHE 25 0.973 -6.533 2.549
191 HD1 PHE 25 HD1 PHE 25 -1.717 -7.692 2.961
192 HD2 PHE 25 HD2 PHE 25 2.018 -8.635 4.768
193 HE1 PHE 25 HE1 PHE 25 -2.894 -8.500 4.964
194 HE2 PHE 25 HE2 PHE 25 0.847 -9.447 6.774
195 HZ PHE 25 HZ PHE 25 -1.612 -9.380 6.874
196 H LEU 26 H LEU 26 -0.367 -5.977 -0.052
197 HA LEU 26 HA LEU 26 1.877 -6.091 -1.954
198 HB2 LEU 26 HB2 LEU 26 -0.866 -4.868 -2.125
199 HB3 LEU 26 HB1 LEU 26 0.420 -4.362 -3.202
200 HG LEU 26 HG LEU 26 0.621 -6.774 -3.928
201 HD11 LEU 26 HD11 LEU 26 -2.097 -7.088 -2.681
202 HD12 LEU 26 HD12 LEU 26 -0.616 -7.653 -1.907
203 HD13 LEU 26 HD13 LEU 26 -1.105 -8.317 -3.466
204 HD21 LEU 26 HD21 LEU 26 -1.054 -4.736 -4.764
205 HD22 LEU 26 HD22 LEU 26 -2.100 -6.155 -4.702
206 HD23 LEU 26 HD23 LEU 26 -0.627 -6.187 -5.672
207 H TYR 27 H TYR 27 3.147 -4.249 -2.309
208 HA TYR 27 HA TYR 27 3.315 -2.476 -0.032
209 HB2 TYR 27 HB2 TYR 27 5.239 -3.462 -1.578
210 HB3 TYR 27 HB1 TYR 27 4.892 -2.024 -2.532
211 HD1 TYR 27 HD1 TYR 27 4.767 -2.295 1.162
212 HD2 TYR 27 HD2 TYR 27 6.881 -0.794 -2.209
213 HE1 TYR 27 HE1 TYR 27 6.207 -0.982 2.659
214 HE2 TYR 27 HE2 TYR 27 8.327 0.525 -0.722
215 HH TYR 27 HH TYR 27 7.789 0.590 2.781
216 H CYS 28 H CYS 28 1.849 -0.904 0.090
217 HA CYS 28 HA CYS 28 1.008 0.428 -2.396
218 HB2 CYS 28 HB2 CYS 28 -0.412 0.488 0.265
219 HB3 CYS 28 HB1 CYS 28 -1.059 0.924 -1.314
220 H CYS 29 H CYS 29 1.402 2.538 -2.699
221 HA CYS 29 HA CYS 29 2.356 4.097 -0.382
222 HB2 CYS 29 HB2 CYS 29 3.288 4.372 -3.250
223 HB3 CYS 29 HB1 CYS 29 3.880 5.288 -1.869
224 HA PRO 30 HA PRO 30 -1.358 6.335 -1.665
225 HB2 PRO 30 HB2 PRO 30 -1.368 8.005 0.497
226 HB3 PRO 30 HB1 PRO 30 -2.036 6.370 0.507
227 HG2 PRO 30 HG2 PRO 30 0.610 7.345 1.499
228 HG3 PRO 30 HG1 PRO 30 -0.497 6.170 2.232
229 HD2 PRO 30 HD2 PRO 30 1.713 5.419 0.873
230 HD3 PRO 30 HD1 PRO 30 0.223 4.453 0.871
231 H ARG 31 H ARG 31 -1.721 8.220 -2.689
232 HA ARG 31 HA ARG 31 -0.095 10.543 -2.345
233 HB2 ARG 31 HB2 ARG 31 1.314 9.032 -3.853
234 HB3 ARG 31 HB1 ARG 31 0.073 9.273 -5.078
235 HG2 ARG 31 HG2 ARG 31 0.559 11.832 -4.358
236 HG3 ARG 31 HG1 ARG 31 2.147 11.112 -4.098
237 HD2 ARG 31 HD2 ARG 31 2.081 11.947 -6.330
238 HD3 ARG 31 HD1 ARG 31 2.021 10.187 -6.415
239 HE ARG 31 HE ARG 31 -0.608 10.941 -6.436
240 HH11 ARG 31 HH11 ARG 31 2.173 11.814 -8.392
241 HH12 ARG 31 HH12 ARG 31 1.237 12.069 -9.824
242 HH21 ARG 31 HH21 ARG 31 -1.831 11.266 -8.277
243 HH22 ARG 31 HH22 ARG 31 -1.065 11.758 -9.764
244 H ARG 32 H ARG 32 -2.427 8.779 -4.303
245 HA ARG 32 HA ARG 32 -4.432 9.352 -5.182
246 HB2 ARG 32 HB2 ARG 32 -3.964 11.845 -3.568
247 HB3 ARG 32 HB1 ARG 32 -5.332 11.713 -4.663
248 HG2 ARG 32 HG2 ARG 32 -6.023 9.659 -3.421
249 HG3 ARG 32 HG1 ARG 32 -4.751 10.018 -2.249
250 HD2 ARG 32 HD2 ARG 32 -7.032 10.851 -1.620
251 HD3 ARG 32 HD1 ARG 32 -5.771 12.085 -1.655
252 HE ARG 32 HE ARG 32 -6.959 12.061 -4.165
253 HH11 ARG 32 HH11 ARG 32 -7.895 12.761 -0.868
254 HH12 ARG 32 HH12 ARG 32 -9.086 13.936 -1.315
255 HH21 ARG 32 HH21 ARG 32 -8.523 13.611 -4.769
256 HH22 ARG 32 HH22 ARG 32 -9.447 14.422 -3.547
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 2.395 11.718 1.371
2 H2 GLY 1 HT2 GLY 1 2.398 13.406 1.236
3 H3 GLY 1 HT3 GLY 1 2.352 12.679 2.763
4 HA2 GLY 1 HA1 GLY 1 4.603 13.192 1.027
5 HA3 GLY 1 HA2 GLY 1 4.552 13.027 2.778
6 H LEU 2 H LEU 2 6.267 11.601 2.984
7 HA LEU 2 HA LEU 2 6.418 9.220 1.381
8 HB2 LEU 2 HB2 LEU 2 8.432 10.385 2.252
9 HB3 LEU 2 HB1 LEU 2 7.951 9.948 3.881
10 HG LEU 2 HG LEU 2 8.173 7.551 3.273
11 HD11 LEU 2 HD11 LEU 2 9.667 8.309 0.817
12 HD12 LEU 2 HD12 LEU 2 7.908 8.220 0.739
13 HD13 LEU 2 HD13 LEU 2 8.841 6.803 1.222
14 HD21 LEU 2 HD21 LEU 2 10.788 8.742 2.550
15 HD22 LEU 2 HD22 LEU 2 10.392 7.517 3.756
16 HD23 LEU 2 HD23 LEU 2 10.076 9.220 4.091
17 H LEU 3 H LEU 3 4.250 8.482 1.890
18 HA LEU 3 HA LEU 3 4.161 7.007 4.439
19 HB2 LEU 3 HB2 LEU 3 2.536 9.006 4.078
20 HB3 LEU 3 HB1 LEU 3 1.711 7.942 2.960
21 HG LEU 3 HG LEU 3 2.172 7.230 5.858
22 HD11 LEU 3 HD11 LEU 3 -0.149 7.905 6.240
23 HD12 LEU 3 HD12 LEU 3 -0.240 8.518 4.589
24 HD13 LEU 3 HD13 LEU 3 0.854 9.271 5.750
25 HD21 LEU 3 HD21 LEU 3 0.689 6.022 3.577
26 HD22 LEU 3 HD22 LEU 3 0.007 5.876 5.198
27 HD23 LEU 3 HD23 LEU 3 1.620 5.246 4.858
28 H CYS 4 H CYS 4 4.079 4.873 4.172
29 HA CYS 4 HA CYS 4 2.765 3.700 1.858
30 HB2 CYS 4 HB2 CYS 4 5.650 3.066 2.530
31 HB3 CYS 4 HB1 CYS 4 4.692 2.324 1.258
32 H TYR 5 H TYR 5 2.115 1.540 2.229
33 HA TYR 5 HA TYR 5 2.970 0.165 4.603
34 HB2 TYR 5 HB2 TYR 5 0.678 -0.013 5.590
35 HB3 TYR 5 HB1 TYR 5 1.385 1.591 5.698
36 HD1 TYR 5 HD1 TYR 5 -0.907 -0.391 3.489
37 HD2 TYR 5 HD2 TYR 5 0.089 3.406 5.129
38 HE1 TYR 5 HE1 TYR 5 -2.927 0.573 2.471
39 HE2 TYR 5 HE2 TYR 5 -1.927 4.378 4.118
40 HH TYR 5 HH TYR 5 -3.493 3.248 1.716
41 H CYS 6 H CYS 6 2.127 -1.991 4.753
42 HA CYS 6 HA CYS 6 1.643 -3.097 2.128
43 HB2 CYS 6 HB2 CYS 6 2.026 -4.443 4.809
44 HB3 CYS 6 HB1 CYS 6 1.884 -5.287 3.271
45 H GLY 7 H GLY 7 -0.367 -3.015 1.402
46 HA2 GLY 7 HA2 GLY 7 -2.665 -3.121 3.127
47 HA3 GLY 7 HA1 GLY 7 -2.674 -3.087 1.367
48 H LYS 8 H LYS 8 -4.016 -4.807 3.514
49 HA LYS 8 HA LYS 8 -3.010 -7.443 2.816
50 HB2 LYS 8 HB2 LYS 8 -5.232 -6.573 4.676
51 HB3 LYS 8 HB1 LYS 8 -4.809 -8.251 4.375
52 HG2 LYS 8 HG2 LYS 8 -3.747 -7.729 6.381
53 HG3 LYS 8 HG1 LYS 8 -2.467 -7.629 5.173
54 HD2 LYS 8 HD2 LYS 8 -2.817 -5.170 5.088
55 HD3 LYS 8 HD1 LYS 8 -3.985 -5.328 6.401
56 HE2 LYS 8 HE2 LYS 8 -1.069 -6.088 6.521
57 HE3 LYS 8 HE1 LYS 8 -1.792 -4.648 7.234
58 HZ1 LYS 8 HZ1 LYS 8 -1.918 -7.426 8.119
59 HZ2 LYS 8 HZ2 LYS 8 -3.300 -6.481 8.361
60 HZ3 LYS 8 HZ3 LYS 8 -1.821 -6.003 9.030
61 H GLY 9 H GLY 9 -3.694 -8.421 1.053
62 HA2 GLY 9 HA2 GLY 9 -5.202 -9.316 -0.466
63 HA3 GLY 9 HA1 GLY 9 -6.502 -8.500 0.386
64 H HIS 10 H HIS 10 -5.628 -5.864 0.231
65 HA HIS 10 HA HIS 10 -4.932 -5.126 -2.432
66 HB2 HIS 10 HB2 HIS 10 -7.026 -4.161 -3.161
67 HB3 HIS 10 HB1 HIS 10 -7.298 -5.857 -2.784
68 HD1 HIS 10 HD1 HIS 10 -7.810 -2.439 -1.163
69 HD2 HIS 10 HD2 HIS 10 -9.374 -6.297 -1.089
70 HE1 HIS 10 HE1 HIS 10 -9.834 -2.323 0.324
71 HE2 HIS 10 HE2 HIS 10 -10.664 -4.695 0.478
72 H CYS 11 H CYS 11 -4.512 -2.929 -2.608
73 HA CYS 11 HA CYS 11 -4.213 -1.555 -0.074
74 HB2 CYS 11 HB2 CYS 11 -3.391 -0.734 -2.867
75 HB3 CYS 11 HB1 CYS 11 -2.891 0.048 -1.371
76 H LYS 12 H LYS 12 -4.372 1.101 -0.926
77 HA LYS 12 HA LYS 12 -7.229 1.527 -0.835
78 HB2 LYS 12 HB2 LYS 12 -5.661 2.911 0.480
79 HB3 LYS 12 HB1 LYS 12 -4.942 3.505 -1.009
80 HG2 LYS 12 HG2 LYS 12 -7.306 4.343 -1.572
81 HG3 LYS 12 HG1 LYS 12 -7.644 4.091 0.141
82 HD2 LYS 12 HD2 LYS 12 -5.445 5.829 -0.983
83 HD3 LYS 12 HD1 LYS 12 -6.977 6.407 -0.326
84 HE2 LYS 12 HE2 LYS 12 -6.393 5.465 1.854
85 HE3 LYS 12 HE1 LYS 12 -4.870 4.875 1.195
86 HZ1 LYS 12 HZ1 LYS 12 -4.021 6.813 1.820
87 HZ2 LYS 12 HZ2 LYS 12 -5.536 7.484 2.139
88 HZ3 LYS 12 HZ3 LYS 12 -4.901 7.547 0.571
89 H ARG 13 H ARG 13 -8.459 2.696 -2.382
90 HA ARG 13 HA ARG 13 -7.825 2.134 -5.093
91 HB2 ARG 13 HB2 ARG 13 -10.146 2.273 -4.305
92 HB3 ARG 13 HB1 ARG 13 -9.927 3.972 -3.911
93 HG2 ARG 13 HG2 ARG 13 -11.131 3.805 -5.969
94 HG3 ARG 13 HG1 ARG 13 -9.517 4.425 -6.314
95 HD2 ARG 13 HD2 ARG 13 -10.072 2.788 -7.975
96 HD3 ARG 13 HD1 ARG 13 -8.823 2.120 -6.927
97 HE ARG 13 HE ARG 13 -10.264 0.452 -6.377
98 HH11 ARG 13 HH11 ARG 13 -12.171 3.151 -7.547
99 HH12 ARG 13 HH12 ARG 13 -13.677 2.300 -7.445
100 HH21 ARG 13 HH21 ARG 13 -12.258 -0.675 -6.244
101 HH22 ARG 13 HH22 ARG 13 -13.726 0.123 -6.703
102 H GLY 14 H GLY 14 -6.388 3.211 -6.297
103 HA2 GLY 14 HA2 GLY 14 -5.610 5.174 -7.388
104 HA3 GLY 14 HA1 GLY 14 -6.213 6.128 -6.039
105 H GLU 15 H GLU 15 -4.730 3.521 -4.721
106 HA GLU 15 HA GLU 15 -2.430 5.045 -3.890
107 HB2 GLU 15 HB2 GLU 15 -3.911 3.189 -2.665
108 HB3 GLU 15 HB1 GLU 15 -2.692 2.127 -3.350
109 HG2 GLU 15 HG2 GLU 15 -1.010 2.992 -2.055
110 HG3 GLU 15 HG1 GLU 15 -1.850 4.525 -1.803
111 H ARG 16 H ARG 16 -0.217 4.476 -4.329
112 HA ARG 16 HA ARG 16 0.029 3.063 -6.881
113 HB2 ARG 16 HB2 ARG 16 1.956 4.908 -5.473
114 HB3 ARG 16 HB1 ARG 16 2.290 4.098 -6.999
115 HG2 ARG 16 HG2 ARG 16 0.238 6.220 -6.438
116 HG3 ARG 16 HG1 ARG 16 1.611 6.290 -7.542
117 HD2 ARG 16 HD2 ARG 16 -0.821 4.526 -7.837
118 HD3 ARG 16 HD1 ARG 16 -0.489 5.991 -8.757
119 HE ARG 16 HE ARG 16 0.556 3.378 -9.240
120 HH11 ARG 16 HH11 ARG 16 1.239 6.788 -9.599
121 HH12 ARG 16 HH12 ARG 16 2.378 6.561 -10.884
122 HH21 ARG 16 HH21 ARG 16 2.064 3.067 -10.940
123 HH22 ARG 16 HH22 ARG 16 2.847 4.439 -11.648
124 H VAL 17 H VAL 17 0.720 1.100 -6.973
125 HA VAL 17 HA VAL 17 1.657 -0.335 -4.707
126 HB VAL 17 HB VAL 17 1.671 -1.158 -7.619
127 HG11 VAL 17 HG11 VAL 17 2.349 -3.203 -7.011
128 HG12 VAL 17 HG21 VAL 17 1.340 -3.213 -5.565
129 HG13 VAL 17 3HG1 VAL 17 2.913 -2.414 -5.537
130 HG21 VAL 17 HG12 VAL 17 -0.545 -0.469 -6.332
131 HG22 VAL 17 HG22 VAL 17 -0.398 -2.117 -5.721
132 HG23 VAL 17 HG23 VAL 17 -0.498 -1.825 -7.458
133 H ARG 18 H ARG 18 3.681 -0.961 -4.154
134 HA ARG 18 HA ARG 18 5.889 0.106 -5.785
135 HB2 ARG 18 HB2 ARG 18 5.721 -0.390 -2.811
136 HB3 ARG 18 HB1 ARG 18 7.215 0.013 -3.649
137 HG2 ARG 18 HG2 ARG 18 4.748 1.730 -3.466
138 HG3 ARG 18 HG1 ARG 18 6.277 1.982 -2.620
139 HD2 ARG 18 HD2 ARG 18 5.867 2.038 -5.608
140 HD3 ARG 18 HD1 ARG 18 6.095 3.443 -4.567
141 HE ARG 18 HE ARG 18 8.280 1.800 -4.145
142 HH11 ARG 18 HH11 ARG 18 6.858 3.517 -6.831
143 HH12 ARG 18 HH12 ARG 18 8.365 3.775 -7.643
144 HH21 ARG 18 HH21 ARG 18 10.288 2.128 -5.210
145 HH22 ARG 18 HH22 ARG 18 10.324 2.979 -6.718
146 H GLY 19 H GLY 19 4.772 -2.642 -3.888
147 HA2 GLY 19 HA2 GLY 19 5.852 -4.590 -5.550
148 HA3 GLY 19 HA1 GLY 19 7.038 -4.284 -4.286
149 H THR 20 H THR 20 6.210 -6.747 -4.198
150 HA THR 20 HA THR 20 3.824 -6.983 -2.557
151 HB THR 20 HB THR 20 4.466 -9.450 -2.593
152 HG1 THR 20 HG1 THR 20 6.675 -9.095 -3.214
153 HG21 THR 20 HG12 THR 20 3.129 -9.701 -4.393
154 HG22 THR 20 HG22 THR 20 4.155 -8.696 -5.418
155 HG23 THR 20 HG23 THR 20 2.999 -7.943 -4.318
156 H CYS 21 H CYS 21 3.793 -7.487 -0.411
157 HA CYS 21 HA CYS 21 6.342 -7.218 0.999
158 HB2 CYS 21 HB2 CYS 21 3.525 -7.297 2.103
159 HB3 CYS 21 HB1 CYS 21 4.983 -6.958 3.029
160 H GLY 22 H GLY 22 3.673 -9.458 0.571
161 HA2 GLY 22 HA2 GLY 22 5.192 -11.762 0.858
162 HA3 GLY 22 HA1 GLY 22 4.528 -11.391 2.445
163 H ILE 23 H ILE 23 3.292 -13.327 2.344
164 HA ILE 23 HA ILE 23 1.478 -13.909 0.287
165 HB ILE 23 HB ILE 23 0.305 -15.320 2.026
166 HG12 ILE 23 HG21 ILE 23 2.642 -14.438 3.740
167 HG13 ILE 23 HG11 ILE 23 0.967 -13.967 3.998
168 HG21 ILE 23 HG12 ILE 23 3.115 -15.565 1.127
169 HG22 ILE 23 HG22 ILE 23 1.724 -16.600 0.804
170 HG23 ILE 23 HG23 ILE 23 2.560 -16.706 2.353
171 HD11 ILE 23 HD11 ILE 23 1.935 -16.811 4.052
172 HD12 ILE 23 HD12 ILE 23 0.350 -16.206 4.532
173 HD13 ILE 23 HD13 ILE 23 1.776 -15.789 5.480
174 H ARG 24 H ARG 24 -0.137 -12.751 -0.345
175 HA ARG 24 HA ARG 24 -2.009 -11.487 -0.432
176 HB2 ARG 24 HB2 ARG 24 -2.750 -13.235 1.265
177 HB3 ARG 24 HB1 ARG 24 -2.391 -12.047 2.509
178 HG2 ARG 24 HG2 ARG 24 -4.028 -10.520 1.508
179 HG3 ARG 24 HG1 ARG 24 -4.405 -11.740 0.290
180 HD2 ARG 24 HD2 ARG 24 -5.104 -13.280 2.069
181 HD3 ARG 24 HD1 ARG 24 -4.751 -12.041 3.272
182 HE ARG 24 HE ARG 24 -6.773 -11.111 2.822
183 HH11 ARG 24 HH11 ARG 24 -5.879 -13.087 0.071
184 HH12 ARG 24 HH12 ARG 24 -7.365 -12.813 -0.775
185 HH21 ARG 24 HH21 ARG 24 -8.744 -10.758 1.713
186 HH22 ARG 24 HH22 ARG 24 -9.000 -11.489 0.164
187 H PHE 25 H PHE 25 0.661 -10.360 0.536
188 HA PHE 25 HA PHE 25 -0.467 -7.866 1.648
189 HB2 PHE 25 HB2 PHE 25 2.145 -9.206 2.291
190 HB3 PHE 25 HB1 PHE 25 1.929 -7.470 2.490
191 HD1 PHE 25 HD2 PHE 25 -0.375 -10.313 3.249
192 HD2 PHE 25 HD1 PHE 25 1.909 -7.048 4.738
193 HE1 PHE 25 HE2 PHE 25 -1.318 -10.680 5.491
194 HE2 PHE 25 HE1 PHE 25 0.974 -7.411 6.983
195 HZ PHE 25 HZ PHE 25 -0.644 -9.229 7.362
196 H LEU 26 H LEU 26 -0.024 -6.027 0.637
197 HA LEU 26 HA LEU 26 1.986 -6.048 -1.519
198 HB2 LEU 26 HB2 LEU 26 -0.376 -6.356 -2.353
199 HB3 LEU 26 HB1 LEU 26 -0.734 -4.759 -1.727
200 HG LEU 26 HG LEU 26 0.977 -3.814 -3.261
201 HD11 LEU 26 HD11 LEU 26 2.180 -6.084 -3.414
202 HD12 LEU 26 HD12 LEU 26 2.083 -5.082 -4.862
203 HD13 LEU 26 HD13 LEU 26 0.996 -6.458 -4.666
204 HD21 LEU 26 HD21 LEU 26 -1.262 -3.672 -3.991
205 HD22 LEU 26 HD22 LEU 26 -1.322 -5.390 -4.389
206 HD23 LEU 26 HD23 LEU 26 -0.348 -4.291 -5.367
207 H TYR 27 H TYR 27 3.343 -4.361 -1.431
208 HA TYR 27 HA TYR 27 2.961 -2.320 0.582
209 HB2 TYR 27 HB2 TYR 27 5.172 -3.503 -0.090
210 HB3 TYR 27 HB1 TYR 27 5.181 -2.389 -1.452
211 HD1 TYR 27 HD2 TYR 27 4.280 -1.887 2.137
212 HD2 TYR 27 HD1 TYR 27 6.859 -0.846 -1.080
213 HE1 TYR 27 HE2 TYR 27 5.359 -0.194 3.559
214 HE2 TYR 27 HE1 TYR 27 7.948 0.847 0.330
215 HH TYR 27 HH TYR 27 8.265 1.418 2.617
216 H CYS 28 H CYS 28 1.913 -0.468 0.190
217 HA CYS 28 HA CYS 28 2.061 0.662 -2.516
218 HB2 CYS 28 HB2 CYS 28 -0.449 0.324 -0.869
219 HB3 CYS 28 HB1 CYS 28 -0.346 1.289 -2.337
220 H CYS 29 H CYS 29 1.816 2.902 -2.662
221 HA CYS 29 HA CYS 29 2.021 4.353 -0.104
222 HB2 CYS 29 HB2 CYS 29 3.466 5.059 -2.669
223 HB3 CYS 29 HB1 CYS 29 3.628 5.864 -1.111
224 HA PRO 30 HA PRO 30 -1.477 6.325 -2.071
225 HB2 PRO 30 HB2 PRO 30 -2.371 7.620 0.114
226 HB3 PRO 30 HB1 PRO 30 -2.624 5.895 -0.152
227 HG2 PRO 30 HG2 PRO 30 -0.681 7.277 1.629
228 HG3 PRO 30 HG1 PRO 30 -1.541 5.748 1.877
229 HD2 PRO 30 HD2 PRO 30 1.100 5.993 1.055
230 HD3 PRO 30 HD1 PRO 30 0.091 4.549 0.850
231 H ARG 31 H ARG 31 -1.783 8.198 -3.024
232 HA ARG 31 HA ARG 31 0.152 10.327 -2.655
233 HB2 ARG 31 HB2 ARG 31 -0.546 9.766 -4.936
234 HB3 ARG 31 HB1 ARG 31 -2.225 10.076 -4.523
235 HG2 ARG 31 HG2 ARG 31 -1.182 11.896 -5.821
236 HG3 ARG 31 HG1 ARG 31 -1.784 12.423 -4.249
237 HD2 ARG 31 HD2 ARG 31 0.363 13.426 -4.622
238 HD3 ARG 31 HD1 ARG 31 0.521 12.214 -3.354
239 HE ARG 31 HE ARG 31 1.956 11.050 -4.691
240 HH11 ARG 31 HH11 ARG 31 0.259 13.388 -6.670
241 HH12 ARG 31 HH12 ARG 31 1.213 13.081 -8.083
242 HH21 ARG 31 HH21 ARG 31 3.224 10.644 -6.551
243 HH22 ARG 31 HH22 ARG 31 2.907 11.517 -8.014
244 H ARG 32 H ARG 32 -2.988 9.422 -1.722
245 HA ARG 32 HA ARG 32 -3.243 11.563 0.150
246 HB2 ARG 32 HB2 ARG 32 -4.135 12.616 -1.922
247 HB3 ARG 32 HB1 ARG 32 -5.287 11.299 -2.075
248 HG2 ARG 32 HG2 ARG 32 -6.338 11.962 0.021
249 HG3 ARG 32 HG1 ARG 32 -5.169 13.272 0.196
250 HD2 ARG 32 HD2 ARG 32 -7.141 12.961 -2.064
251 HD3 ARG 32 HD1 ARG 32 -7.312 14.064 -0.702
252 HE ARG 32 HE ARG 32 -5.832 14.516 -3.065
253 HH11 ARG 32 HH11 ARG 32 -5.649 15.066 0.390
254 HH12 ARG 32 HH12 ARG 32 -4.651 16.475 0.245
255 HH21 ARG 32 HH21 ARG 32 -4.510 16.378 -3.261
256 HH22 ARG 32 HH22 ARG 32 -4.005 17.224 -1.837
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 4.771 12.884 1.657
2 H2 GLY 1 HT2 GLY 1 5.987 14.014 1.298
3 H3 GLY 1 HT3 GLY 1 6.017 13.180 2.766
4 HA2 GLY 1 HA1 GLY 1 6.792 12.279 0.103
5 HA3 GLY 1 HA2 GLY 1 7.538 11.936 1.662
6 H LEU 2 H LEU 2 6.100 10.470 -0.771
7 HA LEU 2 HA LEU 2 3.953 9.024 -0.186
8 HB2 LEU 2 HB2 LEU 2 6.478 7.765 -1.244
9 HB3 LEU 2 HB1 LEU 2 4.843 7.183 -1.485
10 HG LEU 2 HG LEU 2 5.997 9.745 -2.592
11 HD11 LEU 2 HD11 LEU 2 5.481 7.030 -3.722
12 HD12 LEU 2 HD12 LEU 2 6.889 8.076 -3.909
13 HD13 LEU 2 HD13 LEU 2 5.392 8.454 -4.760
14 HD21 LEU 2 HD21 LEU 2 3.228 8.632 -2.539
15 HD22 LEU 2 HD22 LEU 2 3.767 9.557 -3.940
16 HD23 LEU 2 HD23 LEU 2 3.776 10.295 -2.338
17 H LEU 3 H LEU 3 3.435 8.456 1.826
18 HA LEU 3 HA LEU 3 5.238 7.103 3.605
19 HB2 LEU 3 HB2 LEU 3 2.255 7.554 3.787
20 HB3 LEU 3 HB1 LEU 3 3.264 6.942 5.084
21 HG LEU 3 HG LEU 3 3.538 9.682 3.840
22 HD11 LEU 3 HD11 LEU 3 1.534 8.826 5.508
23 HD12 LEU 3 HD12 LEU 3 2.079 10.494 5.319
24 HD13 LEU 3 HD13 LEU 3 2.718 9.499 6.628
25 HD21 LEU 3 HD21 LEU 3 5.254 10.103 5.286
26 HD22 LEU 3 HD22 LEU 3 5.519 8.383 5.009
27 HD23 LEU 3 HD23 LEU 3 4.695 8.923 6.471
28 H CYS 4 H CYS 4 5.562 5.468 1.741
29 HA CYS 4 HA CYS 4 3.669 3.547 1.080
30 HB2 CYS 4 HB2 CYS 4 6.649 3.144 1.357
31 HB3 CYS 4 HB1 CYS 4 5.541 2.120 0.452
32 H TYR 5 H TYR 5 2.944 1.699 1.961
33 HA TYR 5 HA TYR 5 4.206 0.590 4.328
34 HB2 TYR 5 HB2 TYR 5 1.940 0.537 5.516
35 HB3 TYR 5 HB1 TYR 5 2.790 2.075 5.487
36 HD1 TYR 5 HD1 TYR 5 0.458 0.341 3.102
37 HD2 TYR 5 HD2 TYR 5 1.336 3.837 5.360
38 HE1 TYR 5 HE1 TYR 5 -1.531 1.439 2.166
39 HE2 TYR 5 HE2 TYR 5 -0.650 4.944 4.430
40 HH TYR 5 HH TYR 5 -2.303 3.781 1.743
41 H CYS 6 H CYS 6 3.134 -1.481 4.975
42 HA CYS 6 HA CYS 6 2.659 -3.026 2.601
43 HB2 CYS 6 HB2 CYS 6 4.036 -3.932 4.394
44 HB3 CYS 6 HB1 CYS 6 2.690 -3.810 5.521
45 H GLY 7 H GLY 7 0.721 -2.777 1.677
46 HA2 GLY 7 HA2 GLY 7 -1.704 -2.397 3.171
47 HA3 GLY 7 HA1 GLY 7 -1.562 -2.604 1.430
48 H LYS 8 H LYS 8 -3.213 -3.851 3.716
49 HA LYS 8 HA LYS 8 -2.529 -6.657 3.385
50 HB2 LYS 8 HB2 LYS 8 -4.747 -5.408 5.015
51 HB3 LYS 8 HB1 LYS 8 -4.207 -7.079 5.093
52 HG2 LYS 8 HG2 LYS 8 -2.619 -4.647 5.893
53 HG3 LYS 8 HG1 LYS 8 -3.351 -5.831 6.976
54 HD2 LYS 8 HD2 LYS 8 -1.902 -7.573 6.035
55 HD3 LYS 8 HD1 LYS 8 -1.166 -6.377 4.968
56 HE2 LYS 8 HE2 LYS 8 -1.105 -6.327 7.982
57 HE3 LYS 8 HE1 LYS 8 0.224 -6.820 6.935
58 HZ1 LYS 8 HZ1 LYS 8 -0.827 -4.142 7.471
59 HZ2 LYS 8 HZ2 LYS 8 -0.191 -4.442 5.931
60 HZ3 LYS 8 HZ3 LYS 8 0.774 -4.660 7.304
61 H GLY 9 H GLY 9 -3.317 -7.745 1.721
62 HA2 GLY 9 HA2 GLY 9 -4.879 -8.650 0.302
63 HA3 GLY 9 HA1 GLY 9 -6.113 -7.722 1.129
64 H HIS 10 H HIS 10 -5.180 -5.101 0.632
65 HA HIS 10 HA HIS 10 -4.585 -4.676 -2.111
66 HB2 HIS 10 HB2 HIS 10 -6.744 -3.896 -2.928
67 HB3 HIS 10 HB1 HIS 10 -6.875 -5.572 -2.410
68 HD1 HIS 10 HD1 HIS 10 -7.655 -5.576 0.381
69 HD2 HIS 10 HD2 HIS 10 -8.927 -2.531 -2.145
70 HE1 HIS 10 HE1 HIS 10 -9.697 -4.605 1.476
71 HE2 HIS 10 HE2 HIS 10 -10.518 -2.847 -0.129
72 H CYS 11 H CYS 11 -4.364 -2.504 -2.633
73 HA CYS 11 HA CYS 11 -4.008 -0.737 -0.390
74 HB2 CYS 11 HB2 CYS 11 -3.717 -0.118 -3.338
75 HB3 CYS 11 HB1 CYS 11 -3.037 0.801 -1.997
76 H LYS 12 H LYS 12 -4.802 1.531 -0.540
77 HA LYS 12 HA LYS 12 -7.668 1.554 -0.890
78 HB2 LYS 12 HB2 LYS 12 -6.665 2.688 1.022
79 HB3 LYS 12 HB1 LYS 12 -5.684 3.680 -0.042
80 HG2 LYS 12 HG2 LYS 12 -7.431 5.058 0.704
81 HG3 LYS 12 HG1 LYS 12 -7.842 4.621 -0.954
82 HD2 LYS 12 HD2 LYS 12 -9.403 2.947 -0.159
83 HD3 LYS 12 HD1 LYS 12 -8.937 3.271 1.514
84 HE2 LYS 12 HE2 LYS 12 -9.731 5.603 1.231
85 HE3 LYS 12 HE1 LYS 12 -10.291 5.184 -0.387
86 HZ1 LYS 12 HZ1 LYS 12 -11.960 3.844 0.448
87 HZ2 LYS 12 HZ2 LYS 12 -11.947 5.121 1.556
88 HZ3 LYS 12 HZ3 LYS 12 -11.215 3.650 1.955
89 H ARG 13 H ARG 13 -8.782 2.483 -2.557
90 HA ARG 13 HA ARG 13 -7.548 2.939 -5.019
91 HB2 ARG 13 HB2 ARG 13 -10.255 3.847 -4.024
92 HB3 ARG 13 HB1 ARG 13 -9.728 3.973 -5.696
93 HG2 ARG 13 HG2 ARG 13 -9.474 1.530 -5.782
94 HG3 ARG 13 HG1 ARG 13 -10.063 1.428 -4.122
95 HD2 ARG 13 HD2 ARG 13 -11.862 0.952 -5.678
96 HD3 ARG 13 HD1 ARG 13 -12.178 2.460 -4.823
97 HE ARG 13 HE ARG 13 -12.157 3.541 -6.824
98 HH11 ARG 13 HH11 ARG 13 -10.510 0.478 -7.243
99 HH12 ARG 13 HH12 ARG 13 -10.266 0.691 -8.943
100 HH21 ARG 13 HH21 ARG 13 -11.841 3.829 -9.072
101 HH22 ARG 13 HH22 ARG 13 -11.026 2.604 -9.987
102 H GLY 14 H GLY 14 -5.943 4.384 -5.033
103 HA2 GLY 14 HA2 GLY 14 -6.179 6.986 -5.613
104 HA3 GLY 14 HA1 GLY 14 -6.242 7.008 -3.852
105 H GLU 15 H GLU 15 -4.498 4.797 -3.423
106 HA GLU 15 HA GLU 15 -1.975 6.173 -3.856
107 HB2 GLU 15 HB2 GLU 15 -1.068 4.289 -2.411
108 HB3 GLU 15 HB1 GLU 15 -2.187 5.409 -1.653
109 HG2 GLU 15 HG2 GLU 15 -3.987 3.744 -2.012
110 HG3 GLU 15 HG1 GLU 15 -2.763 2.625 -2.617
111 H ARG 16 H ARG 16 -0.030 4.782 -4.406
112 HA ARG 16 HA ARG 16 -0.767 3.050 -6.676
113 HB2 ARG 16 HB2 ARG 16 0.436 5.169 -7.246
114 HB3 ARG 16 HB1 ARG 16 1.804 4.595 -6.304
115 HG2 ARG 16 HG2 ARG 16 1.907 2.605 -7.819
116 HG3 ARG 16 HG1 ARG 16 0.687 3.390 -8.824
117 HD2 ARG 16 HD2 ARG 16 2.229 5.357 -8.998
118 HD3 ARG 16 HD1 ARG 16 3.457 4.389 -8.186
119 HE ARG 16 HE ARG 16 2.779 4.301 -10.923
120 HH11 ARG 16 HH11 ARG 16 3.650 2.140 -8.298
121 HH12 ARG 16 HH12 ARG 16 4.337 0.946 -9.343
122 HH21 ARG 16 HH21 ARG 16 3.694 2.720 -12.297
123 HH22 ARG 16 HH22 ARG 16 4.368 1.277 -11.616
124 H VAL 17 H VAL 17 -0.020 1.027 -6.756
125 HA VAL 17 HA VAL 17 1.208 -0.123 -4.448
126 HB VAL 17 HB VAL 17 0.805 -1.394 -7.164
127 HG11 VAL 17 HG11 VAL 17 1.852 -3.124 -6.244
128 HG12 VAL 17 HG21 VAL 17 0.479 -3.286 -5.149
129 HG13 VAL 17 3HG1 VAL 17 1.888 -2.342 -4.664
130 HG21 VAL 17 HG12 VAL 17 -1.094 -0.880 -4.929
131 HG22 VAL 17 HG22 VAL 17 -1.245 -2.378 -5.849
132 HG23 VAL 17 HG23 VAL 17 -1.358 -0.822 -6.672
133 H ARG 18 H ARG 18 3.322 -0.515 -4.082
134 HA ARG 18 HA ARG 18 5.225 0.328 -6.135
135 HB2 ARG 18 HB2 ARG 18 5.499 1.231 -3.859
136 HB3 ARG 18 HB1 ARG 18 5.700 -0.402 -3.238
137 HG2 ARG 18 HG2 ARG 18 7.733 -0.672 -4.534
138 HG3 ARG 18 HG1 ARG 18 7.522 0.934 -5.230
139 HD2 ARG 18 HD2 ARG 18 7.865 0.363 -2.289
140 HD3 ARG 18 HD1 ARG 18 9.164 0.861 -3.371
141 HE ARG 18 HE ARG 18 7.187 2.532 -2.169
142 HH11 ARG 18 HH11 ARG 18 9.208 2.193 -5.012
143 HH12 ARG 18 HH12 ARG 18 9.185 3.884 -5.386
144 HH21 ARG 18 HH21 ARG 18 7.150 4.753 -2.654
145 HH22 ARG 18 HH22 ARG 18 8.011 5.348 -4.037
146 H GLY 19 H GLY 19 4.307 -2.492 -4.245
147 HA2 GLY 19 HA2 GLY 19 5.064 -4.344 -6.187
148 HA3 GLY 19 HA1 GLY 19 6.407 -4.192 -5.060
149 H THR 20 H THR 20 5.982 -6.459 -4.588
150 HA THR 20 HA THR 20 3.537 -7.058 -3.140
151 HB THR 20 HB THR 20 4.709 -9.351 -2.933
152 HG1 THR 20 HG1 THR 20 6.800 -8.753 -3.496
153 HG21 THR 20 HG12 THR 20 4.392 -9.188 -5.757
154 HG22 THR 20 HG22 THR 20 3.202 -8.123 -5.008
155 HG23 THR 20 HG23 THR 20 3.265 -9.829 -4.562
156 H CYS 21 H CYS 21 3.410 -7.563 -0.981
157 HA CYS 21 HA CYS 21 5.752 -6.816 0.633
158 HB2 CYS 21 HB2 CYS 21 3.843 -5.435 1.124
159 HB3 CYS 21 HB1 CYS 21 2.800 -6.842 1.288
160 H GLY 22 H GLY 22 3.201 -9.246 0.291
161 HA2 GLY 22 HA2 GLY 22 4.848 -11.409 0.951
162 HA3 GLY 22 HA1 GLY 22 3.990 -10.921 2.408
163 H ILE 23 H ILE 23 2.831 -12.906 2.446
164 HA ILE 23 HA ILE 23 1.307 -13.840 0.265
165 HB ILE 23 HB ILE 23 -0.003 -15.109 2.006
166 HG12 ILE 23 HG21 ILE 23 2.081 -13.938 3.870
167 HG13 ILE 23 HG11 ILE 23 0.371 -13.519 3.878
168 HG21 ILE 23 HG12 ILE 23 2.929 -15.308 1.551
169 HG22 ILE 23 HG22 ILE 23 1.629 -16.387 1.044
170 HG23 ILE 23 HG23 ILE 23 2.180 -16.396 2.719
171 HD11 ILE 23 HD11 ILE 23 0.634 -15.042 5.623
172 HD12 ILE 23 HD12 ILE 23 1.666 -16.103 4.663
173 HD13 ILE 23 HD13 ILE 23 -0.057 -15.991 4.307
174 H ARG 24 H ARG 24 -0.211 -12.752 -0.676
175 HA ARG 24 HA ARG 24 -2.036 -11.479 -1.107
176 HB2 ARG 24 HB2 ARG 24 -3.070 -13.226 0.409
177 HB3 ARG 24 HB1 ARG 24 -2.895 -12.081 1.730
178 HG2 ARG 24 HG2 ARG 24 -4.329 -10.492 0.498
179 HG3 ARG 24 HG1 ARG 24 -4.555 -11.711 -0.757
180 HD2 ARG 24 HD2 ARG 24 -5.299 -12.047 2.147
181 HD3 ARG 24 HD1 ARG 24 -6.424 -11.629 0.856
182 HE ARG 24 HE ARG 24 -5.449 -14.222 1.507
183 HH11 ARG 24 HH11 ARG 24 -6.509 -12.238 -1.177
184 HH12 ARG 24 HH12 ARG 24 -6.949 -13.585 -2.172
185 HH21 ARG 24 HH21 ARG 24 -6.033 -16.010 0.199
186 HH22 ARG 24 HH22 ARG 24 -6.678 -15.738 -1.387
187 H PHE 25 H PHE 25 0.402 -10.348 0.147
188 HA PHE 25 HA PHE 25 -0.790 -7.856 1.182
189 HB2 PHE 25 HB2 PHE 25 1.874 -9.062 1.973
190 HB3 PHE 25 HB1 PHE 25 1.249 -7.511 2.518
191 HD1 PHE 25 HD2 PHE 25 -1.654 -8.548 2.888
192 HD2 PHE 25 HD1 PHE 25 2.150 -9.986 4.141
193 HE1 PHE 25 HE2 PHE 25 -2.711 -9.661 4.811
194 HE2 PHE 25 HE1 PHE 25 1.100 -11.098 6.067
195 HZ PHE 25 HZ PHE 25 -1.334 -10.938 6.403
196 H LEU 26 H LEU 26 0.031 -5.947 0.369
197 HA LEU 26 HA LEU 26 2.239 -6.129 -1.540
198 HB2 LEU 26 HB2 LEU 26 1.070 -4.997 -3.294
199 HB3 LEU 26 HB1 LEU 26 0.153 -6.414 -2.836
200 HG LEU 26 HG LEU 26 -0.519 -3.592 -1.984
201 HD11 LEU 26 HD11 LEU 26 -1.476 -5.306 -4.255
202 HD12 LEU 26 HD12 LEU 26 -0.888 -3.643 -4.295
203 HD13 LEU 26 HD13 LEU 26 -2.463 -4.004 -3.588
204 HD21 LEU 26 HD21 LEU 26 -1.274 -5.600 -0.555
205 HD22 LEU 26 HD22 LEU 26 -2.345 -5.973 -1.907
206 HD23 LEU 26 HD23 LEU 26 -2.494 -4.431 -1.064
207 H TYR 27 H TYR 27 3.352 -4.197 -1.882
208 HA TYR 27 HA TYR 27 3.212 -2.375 0.348
209 HB2 TYR 27 HB2 TYR 27 5.287 -3.313 -1.043
210 HB3 TYR 27 HB1 TYR 27 4.984 -1.868 -2.000
211 HD1 TYR 27 HD2 TYR 27 4.723 -2.401 1.678
212 HD2 TYR 27 HD1 TYR 27 6.730 -0.413 -1.500
213 HE1 TYR 27 HE2 TYR 27 5.994 -1.082 3.316
214 HE2 TYR 27 HE1 TYR 27 8.013 0.907 0.130
215 HH TYR 27 HH TYR 27 7.188 1.245 3.283
216 H CYS 28 H CYS 28 2.019 -0.580 0.381
217 HA CYS 28 HA CYS 28 1.109 0.550 -2.183
218 HB2 CYS 28 HB2 CYS 28 -0.202 0.882 0.517
219 HB3 CYS 28 HB1 CYS 28 -0.883 1.261 -1.061
220 H CYS 29 H CYS 29 1.261 2.756 -2.528
221 HA CYS 29 HA CYS 29 2.601 4.315 -0.420
222 HB2 CYS 29 HB2 CYS 29 3.176 4.435 -3.388
223 HB3 CYS 29 HB1 CYS 29 3.892 5.478 -2.165
224 HA PRO 30 HA PRO 30 -1.193 6.620 -1.291
225 HB2 PRO 30 HB2 PRO 30 -0.998 8.190 0.925
226 HB3 PRO 30 HB1 PRO 30 -1.657 6.550 0.952
227 HG2 PRO 30 HG2 PRO 30 1.084 7.502 1.684
228 HG3 PRO 30 HG1 PRO 30 0.046 6.331 2.518
229 HD2 PRO 30 HD2 PRO 30 2.080 5.561 0.925
230 HD3 PRO 30 HD1 PRO 30 0.578 4.625 1.055
231 H ARG 31 H ARG 31 -1.648 8.788 -1.837
232 HA ARG 31 HA ARG 31 0.584 10.204 -2.965
233 HB2 ARG 31 HB2 ARG 31 -1.719 9.966 -4.021
234 HB3 ARG 31 HB1 ARG 31 -2.284 11.141 -2.842
235 HG2 ARG 31 HG2 ARG 31 -1.830 12.262 -4.909
236 HG3 ARG 31 HG1 ARG 31 -0.623 12.755 -3.719
237 HD2 ARG 31 HD2 ARG 31 0.430 12.329 -5.867
238 HD3 ARG 31 HD1 ARG 31 0.963 11.147 -4.673
239 HE ARG 31 HE ARG 31 0.061 9.507 -5.968
240 HH11 ARG 31 HH11 ARG 31 -1.375 12.551 -6.931
241 HH12 ARG 31 HH12 ARG 31 -2.324 11.854 -8.201
242 HH21 ARG 31 HH21 ARG 31 -1.199 8.576 -7.639
243 HH22 ARG 31 HH22 ARG 31 -2.224 9.585 -8.603
244 H ARG 32 H ARG 32 1.224 10.223 -0.455
245 HA ARG 32 HA ARG 32 1.069 12.998 0.323
246 HB2 ARG 32 HB2 ARG 32 -0.938 12.140 1.414
247 HB3 ARG 32 HB1 ARG 32 -0.022 10.809 2.109
248 HG2 ARG 32 HG2 ARG 32 1.289 12.417 3.424
249 HG3 ARG 32 HG1 ARG 32 0.320 13.731 2.752
250 HD2 ARG 32 HD2 ARG 32 -1.687 12.788 3.742
251 HD3 ARG 32 HD1 ARG 32 -0.763 11.418 4.355
252 HE ARG 32 HE ARG 32 0.413 13.746 5.339
253 HH11 ARG 32 HH11 ARG 32 -2.601 12.000 5.639
254 HH12 ARG 32 HH12 ARG 32 -2.907 12.534 7.259
255 HH21 ARG 32 HH21 ARG 32 0.023 14.460 7.484
256 HH22 ARG 32 HH22 ARG 32 -1.407 13.941 8.311
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 1.936 14.167 5.177
2 H2 GLY 1 HT2 GLY 1 3.301 13.387 4.551
3 H3 GLY 1 HT3 GLY 1 3.133 13.586 6.223
4 HA2 GLY 1 HA1 GLY 1 2.264 11.560 6.287
5 HA3 GLY 1 HA2 GLY 1 0.856 12.269 5.506
6 H LEU 2 H LEU 2 0.368 10.425 4.309
7 HA LEU 2 HA LEU 2 0.392 9.027 2.528
8 HB2 LEU 2 HB2 LEU 2 2.414 10.979 1.425
9 HB3 LEU 2 HB1 LEU 2 1.541 9.775 0.495
10 HG LEU 2 HG LEU 2 0.241 12.076 1.957
11 HD11 LEU 2 HD11 LEU 2 1.652 12.845 0.107
12 HD12 LEU 2 HD12 LEU 2 -0.063 13.079 -0.232
13 HD13 LEU 2 HD13 LEU 2 0.810 11.743 -0.984
14 HD21 LEU 2 HD21 LEU 2 -1.763 11.455 0.833
15 HD22 LEU 2 HD22 LEU 2 -1.127 10.004 1.608
16 HD23 LEU 2 HD23 LEU 2 -0.920 10.239 -0.128
17 H LEU 3 H LEU 3 1.931 8.169 4.616
18 HA LEU 3 HA LEU 3 4.531 7.359 3.686
19 HB2 LEU 3 HB2 LEU 3 2.938 6.710 6.157
20 HB3 LEU 3 HB1 LEU 3 4.460 5.920 5.802
21 HG LEU 3 HG LEU 3 5.463 8.284 5.717
22 HD11 LEU 3 HD11 LEU 3 3.383 9.171 7.591
23 HD12 LEU 3 HD12 LEU 3 2.902 9.120 5.895
24 HD13 LEU 3 HD13 LEU 3 4.298 10.081 6.388
25 HD21 LEU 3 HD21 LEU 3 6.105 6.890 7.481
26 HD22 LEU 3 HD22 LEU 3 4.496 6.914 8.204
27 HD23 LEU 3 HD23 LEU 3 5.514 8.353 8.269
28 H CYS 4 H CYS 4 5.149 5.373 2.974
29 HA CYS 4 HA CYS 4 3.227 3.754 1.677
30 HB2 CYS 4 HB2 CYS 4 6.123 3.155 2.320
31 HB3 CYS 4 HB1 CYS 4 5.129 2.280 1.162
32 H TYR 5 H TYR 5 2.483 1.676 2.178
33 HA TYR 5 HA TYR 5 3.271 0.461 4.693
34 HB2 TYR 5 HB2 TYR 5 0.914 0.335 5.516
35 HB3 TYR 5 HB1 TYR 5 1.570 1.965 5.506
36 HD1 TYR 5 HD2 TYR 5 -0.401 -0.297 3.252
37 HD2 TYR 5 HD1 TYR 5 0.203 3.648 4.729
38 HE1 TYR 5 HE2 TYR 5 -2.352 0.474 1.973
39 HE2 TYR 5 HE1 TYR 5 -1.751 4.427 3.457
40 HH TYR 5 HH TYR 5 -3.122 2.717 0.976
41 H CYS 6 H CYS 6 2.119 -1.659 5.009
42 HA CYS 6 HA CYS 6 2.058 -3.024 2.459
43 HB2 CYS 6 HB2 CYS 6 1.920 -4.038 5.300
44 HB3 CYS 6 HB1 CYS 6 1.866 -5.083 3.885
45 H GLY 7 H GLY 7 0.237 -2.893 1.363
46 HA2 GLY 7 HA2 GLY 7 -2.339 -2.592 2.563
47 HA3 GLY 7 HA1 GLY 7 -2.004 -2.863 0.857
48 H LYS 8 H LYS 8 -4.071 -4.039 2.518
49 HA LYS 8 HA LYS 8 -3.273 -6.797 2.896
50 HB2 LYS 8 HB2 LYS 8 -6.001 -5.527 3.186
51 HB3 LYS 8 HB1 LYS 8 -5.542 -7.136 3.726
52 HG2 LYS 8 HG2 LYS 8 -4.455 -4.536 4.782
53 HG3 LYS 8 HG1 LYS 8 -5.633 -5.574 5.581
54 HD2 LYS 8 HD2 LYS 8 -2.821 -6.405 4.869
55 HD3 LYS 8 HD1 LYS 8 -3.316 -5.814 6.454
56 HE2 LYS 8 HE2 LYS 8 -3.413 -8.094 6.761
57 HE3 LYS 8 HE1 LYS 8 -5.077 -7.732 6.309
58 HZ1 LYS 8 HZ1 LYS 8 -3.184 -8.435 4.180
59 HZ2 LYS 8 HZ2 LYS 8 -4.845 -8.742 4.295
60 HZ3 LYS 8 HZ3 LYS 8 -3.752 -9.673 5.186
61 H GLY 9 H GLY 9 -2.831 -7.583 0.847
62 HA2 GLY 9 HA2 GLY 9 -3.461 -8.829 -0.999
63 HA3 GLY 9 HA1 GLY 9 -5.136 -8.425 -0.659
64 H HIS 10 H HIS 10 -4.848 -5.588 -0.726
65 HA HIS 10 HA HIS 10 -3.724 -4.896 -3.291
66 HB2 HIS 10 HB2 HIS 10 -5.798 -4.169 -4.329
67 HB3 HIS 10 HB1 HIS 10 -5.918 -5.877 -3.924
68 HD1 HIS 10 HD1 HIS 10 -7.007 -2.515 -2.489
69 HD2 HIS 10 HD2 HIS 10 -8.157 -6.516 -2.534
70 HE1 HIS 10 HE1 HIS 10 -9.216 -2.600 -1.289
71 HE2 HIS 10 HE2 HIS 10 -9.812 -5.045 -1.197
72 H CYS 11 H CYS 11 -3.570 -2.665 -3.605
73 HA CYS 11 HA CYS 11 -3.518 -1.131 -1.174
74 HB2 CYS 11 HB2 CYS 11 -3.002 -0.175 -3.995
75 HB3 CYS 11 HB1 CYS 11 -2.435 0.563 -2.500
76 H LYS 12 H LYS 12 -4.241 1.299 -1.565
77 HA LYS 12 HA LYS 12 -7.115 1.228 -1.853
78 HB2 LYS 12 HB2 LYS 12 -6.036 2.560 -0.083
79 HB3 LYS 12 HB1 LYS 12 -5.211 3.519 -1.301
80 HG2 LYS 12 HG2 LYS 12 -7.532 4.158 -2.129
81 HG3 LYS 12 HG1 LYS 12 -8.128 3.479 -0.614
82 HD2 LYS 12 HD2 LYS 12 -6.179 5.761 -0.941
83 HD3 LYS 12 HD1 LYS 12 -7.838 5.861 -0.355
84 HE2 LYS 12 HE2 LYS 12 -6.811 5.831 1.660
85 HE3 LYS 12 HE1 LYS 12 -6.865 4.088 1.403
86 HZ1 LYS 12 HZ1 LYS 12 -4.585 5.893 1.388
87 HZ2 LYS 12 HZ2 LYS 12 -4.553 4.681 0.207
88 HZ3 LYS 12 HZ3 LYS 12 -4.670 4.266 1.845
89 H ARG 13 H ARG 13 -8.301 2.130 -3.503
90 HA ARG 13 HA ARG 13 -7.153 2.295 -6.063
91 HB2 ARG 13 HB2 ARG 13 -9.399 3.154 -6.767
92 HB3 ARG 13 HB1 ARG 13 -9.439 1.641 -5.875
93 HG2 ARG 13 HG2 ARG 13 -10.187 2.755 -3.891
94 HG3 ARG 13 HG1 ARG 13 -9.961 4.336 -4.641
95 HD2 ARG 13 HD2 ARG 13 -11.672 3.712 -6.334
96 HD3 ARG 13 HD1 ARG 13 -11.954 2.219 -5.442
97 HE ARG 13 HE ARG 13 -13.277 3.402 -4.029
98 HH11 ARG 13 HH11 ARG 13 -11.043 5.659 -5.514
99 HH12 ARG 13 HH12 ARG 13 -11.731 7.048 -4.742
100 HH21 ARG 13 HH21 ARG 13 -14.188 5.239 -3.004
101 HH22 ARG 13 HH22 ARG 13 -13.520 6.808 -3.308
102 H GLY 14 H GLY 14 -5.436 3.818 -5.551
103 HA2 GLY 14 HA2 GLY 14 -5.769 6.303 -6.736
104 HA3 GLY 14 HA1 GLY 14 -5.929 6.552 -5.000
105 H GLU 15 H GLU 15 -4.119 4.452 -4.244
106 HA GLU 15 HA GLU 15 -1.638 5.910 -4.615
107 HB2 GLU 15 HB2 GLU 15 -0.758 4.127 -3.024
108 HB3 GLU 15 HB1 GLU 15 -1.990 5.215 -2.398
109 HG2 GLU 15 HG2 GLU 15 -3.594 3.294 -3.212
110 HG3 GLU 15 HG1 GLU 15 -2.134 2.324 -3.015
111 H ARG 16 H ARG 16 0.377 4.219 -4.685
112 HA ARG 16 HA ARG 16 -0.148 2.496 -7.015
113 HB2 ARG 16 HB2 ARG 16 2.052 4.498 -6.623
114 HB3 ARG 16 HB1 ARG 16 2.289 3.108 -7.671
115 HG2 ARG 16 HG2 ARG 16 1.615 4.816 -9.107
116 HG3 ARG 16 HG1 ARG 16 0.159 3.853 -8.861
117 HD2 ARG 16 HD2 ARG 16 -0.538 5.482 -7.109
118 HD3 ARG 16 HD1 ARG 16 0.854 6.474 -7.539
119 HE ARG 16 HE ARG 16 -0.261 7.183 -9.407
120 HH11 ARG 16 HH11 ARG 16 -1.986 4.452 -8.036
121 HH12 ARG 16 HH12 ARG 16 -3.294 4.556 -9.168
122 HH21 ARG 16 HH21 ARG 16 -1.993 7.314 -10.899
123 HH22 ARG 16 HH22 ARG 16 -3.301 6.184 -10.793
124 H VAL 17 H VAL 17 0.845 0.574 -7.117
125 HA VAL 17 HA VAL 17 1.753 -0.585 -4.682
126 HB VAL 17 HB VAL 17 2.051 -2.645 -5.977
127 HG11 VAL 17 HG11 VAL 17 -0.293 -1.458 -5.380
128 HG12 VAL 17 HG21 VAL 17 -0.161 -3.067 -6.091
129 HG13 VAL 17 3HG1 VAL 17 -0.484 -1.672 -7.121
130 HG21 VAL 17 HG12 VAL 17 1.838 -2.793 -8.310
131 HG22 VAL 17 HG22 VAL 17 2.882 -1.396 -8.043
132 HG23 VAL 17 HG23 VAL 17 1.179 -1.162 -8.440
133 H ARG 18 H ARG 18 3.784 -1.479 -4.220
134 HA ARG 18 HA ARG 18 5.995 -0.469 -5.884
135 HB2 ARG 18 HB2 ARG 18 5.796 -0.487 -2.873
136 HB3 ARG 18 HB1 ARG 18 7.300 -0.218 -3.745
137 HG2 ARG 18 HG2 ARG 18 4.828 1.494 -3.830
138 HG3 ARG 18 HG1 ARG 18 6.384 1.896 -3.099
139 HD2 ARG 18 HD2 ARG 18 5.863 1.420 -6.030
140 HD3 ARG 18 HD1 ARG 18 6.123 2.986 -5.263
141 HE ARG 18 HE ARG 18 8.343 1.537 -4.618
142 HH11 ARG 18 HH11 ARG 18 6.747 2.355 -7.611
143 HH12 ARG 18 HH12 ARG 18 8.209 2.415 -8.537
144 HH21 ARG 18 HH21 ARG 18 10.293 1.605 -5.826
145 HH22 ARG 18 HH22 ARG 18 10.238 1.983 -7.515
146 H GLY 19 H GLY 19 4.783 -2.998 -3.791
147 HA2 GLY 19 HA2 GLY 19 6.161 -5.034 -5.132
148 HA3 GLY 19 HA1 GLY 19 7.078 -4.611 -3.690
149 H THR 20 H THR 20 6.682 -6.659 -2.767
150 HA THR 20 HA THR 20 3.954 -6.944 -1.706
151 HB THR 20 HB THR 20 4.446 -9.465 -1.734
152 HG1 THR 20 HG1 THR 20 6.643 -9.355 -2.312
153 HG21 THR 20 HG12 THR 20 3.398 -7.705 -3.750
154 HG22 THR 20 HG22 THR 20 2.871 -9.329 -3.306
155 HG23 THR 20 HG23 THR 20 4.143 -9.112 -4.509
156 H CYS 21 H CYS 21 3.796 -7.539 0.424
157 HA CYS 21 HA CYS 21 6.303 -7.447 1.933
158 HB2 CYS 21 HB2 CYS 21 3.453 -7.223 2.923
159 HB3 CYS 21 HB1 CYS 21 4.904 -6.996 3.894
160 H GLY 22 H GLY 22 3.455 -9.469 1.415
161 HA2 GLY 22 HA2 GLY 22 4.755 -11.880 1.802
162 HA3 GLY 22 HA1 GLY 22 4.120 -11.417 3.375
163 H ILE 23 H ILE 23 2.746 -13.258 3.331
164 HA ILE 23 HA ILE 23 0.895 -13.783 1.290
165 HB ILE 23 HB ILE 23 -0.391 -15.032 3.068
166 HG12 ILE 23 HG21 ILE 23 1.991 -14.266 4.778
167 HG13 ILE 23 HG11 ILE 23 0.354 -13.657 4.996
168 HG21 ILE 23 HG12 ILE 23 1.768 -16.560 3.478
169 HG22 ILE 23 HG22 ILE 23 2.386 -15.526 2.190
170 HG23 ILE 23 HG23 ILE 23 0.924 -16.477 1.931
171 HD11 ILE 23 HD11 ILE 23 1.119 -15.536 6.518
172 HD12 ILE 23 HD12 ILE 23 0.983 -16.584 5.107
173 HD13 ILE 23 HD13 ILE 23 -0.439 -15.737 5.715
174 H ARG 24 H ARG 24 -0.603 -12.506 0.600
175 HA ARG 24 HA ARG 24 -2.356 -11.084 0.461
176 HB2 ARG 24 HB2 ARG 24 -2.738 -11.804 3.371
177 HB3 ARG 24 HB1 ARG 24 -3.879 -10.861 2.424
178 HG2 ARG 24 HG2 ARG 24 -3.065 -13.711 1.884
179 HG3 ARG 24 HG1 ARG 24 -4.583 -13.180 2.611
180 HD2 ARG 24 HD2 ARG 24 -5.041 -11.890 0.519
181 HD3 ARG 24 HD1 ARG 24 -3.611 -12.636 -0.191
182 HE ARG 24 HE ARG 24 -6.185 -13.795 0.065
183 HH11 ARG 24 HH11 ARG 24 -2.781 -14.623 0.153
184 HH12 ARG 24 HH12 ARG 24 -3.041 -16.281 -0.270
185 HH21 ARG 24 HH21 ARG 24 -6.530 -15.982 -0.497
186 HH22 ARG 24 HH22 ARG 24 -5.178 -17.056 -0.641
187 H PHE 25 H PHE 25 0.301 -10.113 1.085
188 HA PHE 25 HA PHE 25 -0.464 -7.458 2.069
189 HB2 PHE 25 HB2 PHE 25 1.853 -9.084 3.111
190 HB3 PHE 25 HB1 PHE 25 1.845 -7.327 3.163
191 HD1 PHE 25 HD1 PHE 25 -0.065 -10.306 4.309
192 HD2 PHE 25 HD2 PHE 25 0.898 -6.214 4.946
193 HE1 PHE 25 HE1 PHE 25 -1.218 -10.377 6.480
194 HE2 PHE 25 HE2 PHE 25 -0.254 -6.275 7.117
195 HZ PHE 25 HZ PHE 25 -1.312 -8.361 7.889
196 H LEU 26 H LEU 26 0.462 -5.834 0.947
197 HA LEU 26 HA LEU 26 2.802 -6.385 -0.708
198 HB2 LEU 26 HB2 LEU 26 1.889 -5.688 -2.760
199 HB3 LEU 26 HB1 LEU 26 0.749 -6.843 -2.107
200 HG LEU 26 HG LEU 26 0.368 -3.856 -1.899
201 HD11 LEU 26 HD11 LEU 26 -0.081 -3.854 -4.075
202 HD12 LEU 26 HD12 LEU 26 -1.458 -4.898 -3.722
203 HD13 LEU 26 HD13 LEU 26 0.092 -5.607 -4.177
204 HD21 LEU 26 HD21 LEU 26 -2.033 -4.617 -1.645
205 HD22 LEU 26 HD22 LEU 26 -0.959 -4.958 -0.288
206 HD23 LEU 26 HD23 LEU 26 -1.393 -6.244 -1.416
207 H TYR 27 H TYR 27 3.939 -4.476 -1.344
208 HA TYR 27 HA TYR 27 3.646 -2.376 0.597
209 HB2 TYR 27 HB2 TYR 27 5.817 -3.399 -0.513
210 HB3 TYR 27 HB1 TYR 27 5.522 -2.154 -1.720
211 HD1 TYR 27 HD1 TYR 27 4.992 -2.010 1.960
212 HD2 TYR 27 HD2 TYR 27 7.237 -0.605 -1.370
213 HE1 TYR 27 HE1 TYR 27 6.108 -0.370 3.413
214 HE2 TYR 27 HE2 TYR 27 8.359 1.039 0.075
215 HH TYR 27 HH TYR 27 8.142 0.944 3.483
216 H CYS 28 H CYS 28 2.485 -0.594 0.375
217 HA CYS 28 HA CYS 28 1.790 0.322 -2.344
218 HB2 CYS 28 HB2 CYS 28 0.053 0.512 0.126
219 HB3 CYS 28 HB1 CYS 28 -0.395 0.960 -1.514
220 H CYS 29 H CYS 29 1.962 2.504 -2.735
221 HA CYS 29 HA CYS 29 2.712 4.193 -0.446
222 HB2 CYS 29 HB2 CYS 29 3.978 4.160 -3.187
223 HB3 CYS 29 HB1 CYS 29 4.248 5.427 -1.997
224 HA PRO 30 HA PRO 30 -0.695 6.517 -2.210
225 HB2 PRO 30 HB2 PRO 30 -0.608 8.154 0.161
226 HB3 PRO 30 HB1 PRO 30 -1.805 6.938 -0.282
227 HG2 PRO 30 HG2 PRO 30 -0.052 6.683 1.814
228 HG3 PRO 30 HG1 PRO 30 -0.800 5.318 0.968
229 HD2 PRO 30 HD2 PRO 30 1.943 6.471 0.662
230 HD3 PRO 30 HD1 PRO 30 1.420 4.773 0.639
231 H ARG 31 H ARG 31 -0.729 8.401 -3.358
232 HA ARG 31 HA ARG 31 1.538 10.225 -2.932
233 HB2 ARG 31 HB2 ARG 31 0.202 9.404 -5.501
234 HB3 ARG 31 HB1 ARG 31 1.231 10.826 -5.385
235 HG2 ARG 31 HG2 ARG 31 2.000 7.949 -4.985
236 HG3 ARG 31 HG1 ARG 31 2.586 9.077 -6.210
237 HD2 ARG 31 HD2 ARG 31 3.145 9.114 -3.247
238 HD3 ARG 31 HD1 ARG 31 4.295 8.846 -4.555
239 HE ARG 31 HE ARG 31 3.422 11.353 -3.518
240 HH11 ARG 31 HH11 ARG 31 4.561 9.777 -6.430
241 HH12 ARG 31 HH12 ARG 31 5.073 11.248 -7.183
242 HH21 ARG 31 HH21 ARG 31 4.092 13.298 -4.505
243 HH22 ARG 31 HH22 ARG 31 4.806 13.260 -6.083
244 H ARG 32 H ARG 32 -1.819 9.897 -2.977
245 HA ARG 32 HA ARG 32 -2.306 12.485 -2.045
246 HB2 ARG 32 HB2 ARG 32 -3.563 13.449 -3.883
247 HB3 ARG 32 HB1 ARG 32 -1.931 13.097 -4.430
248 HG2 ARG 32 HG2 ARG 32 -2.619 11.328 -5.760
249 HG3 ARG 32 HG1 ARG 32 -4.137 11.131 -4.882
250 HD2 ARG 32 HD2 ARG 32 -3.387 13.337 -6.794
251 HD3 ARG 32 HD1 ARG 32 -4.637 12.112 -7.005
252 HE ARG 32 HE ARG 32 -4.960 14.599 -5.766
253 HH11 ARG 32 HH11 ARG 32 -5.828 11.250 -5.215
254 HH12 ARG 32 HH12 ARG 32 -7.187 11.632 -4.220
255 HH21 ARG 32 HH21 ARG 32 -6.791 15.102 -4.488
256 HH22 ARG 32 HH22 ARG 32 -7.748 13.823 -3.824
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 -2.433 9.757 2.473
2 H2 GLY 1 HT2 GLY 1 -2.977 11.289 1.994
3 H3 GLY 1 HT3 GLY 1 -2.892 10.893 3.644
4 HA2 GLY 1 HA1 GLY 1 -0.988 12.212 2.234
5 HA3 GLY 1 HA2 GLY 1 -0.747 11.426 3.791
6 H LEU 2 H LEU 2 0.868 11.765 1.158
7 HA LEU 2 HA LEU 2 1.243 9.166 0.124
8 HB2 LEU 2 HB2 LEU 2 3.270 10.036 -0.919
9 HB3 LEU 2 HB1 LEU 2 1.914 11.118 -1.151
10 HG LEU 2 HG LEU 2 3.916 11.620 1.036
11 HD11 LEU 2 HD11 LEU 2 4.282 11.876 -1.872
12 HD12 LEU 2 HD12 LEU 2 5.477 11.756 -0.580
13 HD13 LEU 2 HD13 LEU 2 4.703 13.303 -0.925
14 HD21 LEU 2 HD21 LEU 2 2.519 13.708 -0.568
15 HD22 LEU 2 HD22 LEU 2 3.041 13.739 1.118
16 HD23 LEU 2 HD23 LEU 2 1.605 12.825 0.655
17 H LEU 3 H LEU 3 1.959 7.500 1.197
18 HA LEU 3 HA LEU 3 4.458 7.492 2.552
19 HB2 LEU 3 HB2 LEU 3 2.692 8.528 4.182
20 HB3 LEU 3 HB1 LEU 3 2.113 6.884 4.335
21 HG LEU 3 HG LEU 3 3.713 7.727 6.128
22 HD11 LEU 3 HD11 LEU 3 4.321 5.198 4.615
23 HD12 LEU 3 HD12 LEU 3 3.216 5.394 5.976
24 HD13 LEU 3 HD13 LEU 3 4.954 5.578 6.216
25 HD21 LEU 3 HD21 LEU 3 5.642 8.602 5.481
26 HD22 LEU 3 HD22 LEU 3 5.330 8.153 3.804
27 HD23 LEU 3 HD23 LEU 3 6.127 7.012 4.888
28 H CYS 4 H CYS 4 5.254 5.520 2.196
29 HA CYS 4 HA CYS 4 3.586 3.475 1.084
30 HB2 CYS 4 HB2 CYS 4 6.520 3.496 1.786
31 HB3 CYS 4 HB1 CYS 4 5.703 2.178 0.950
32 H TYR 5 H TYR 5 2.934 1.564 1.945
33 HA TYR 5 HA TYR 5 3.951 0.660 4.488
34 HB2 TYR 5 HB2 TYR 5 1.931 0.804 5.772
35 HB3 TYR 5 HB1 TYR 5 2.269 2.408 5.142
36 HD1 TYR 5 HD1 TYR 5 0.116 -0.578 4.704
37 HD2 TYR 5 HD2 TYR 5 0.692 3.534 3.773
38 HE1 TYR 5 HE1 TYR 5 -2.161 -0.475 3.791
39 HE2 TYR 5 HE2 TYR 5 -1.588 3.648 2.856
40 HH TYR 5 HH TYR 5 -3.248 1.990 1.841
41 H CYS 6 H CYS 6 2.976 -1.417 5.125
42 HA CYS 6 HA CYS 6 2.576 -3.038 2.784
43 HB2 CYS 6 HB2 CYS 6 3.949 -3.728 4.787
44 HB3 CYS 6 HB1 CYS 6 2.443 -3.899 5.682
45 H GLY 7 H GLY 7 0.659 -2.935 1.845
46 HA2 GLY 7 HA2 GLY 7 -1.783 -2.521 3.325
47 HA3 GLY 7 HA1 GLY 7 -1.621 -2.682 1.582
48 H LYS 8 H LYS 8 -3.427 -3.936 3.630
49 HA LYS 8 HA LYS 8 -2.750 -6.750 3.368
50 HB2 LYS 8 HB2 LYS 8 -4.645 -5.179 5.042
51 HB3 LYS 8 HB1 LYS 8 -5.095 -6.830 4.651
52 HG2 LYS 8 HG2 LYS 8 -3.975 -6.736 6.793
53 HG3 LYS 8 HG1 LYS 8 -3.007 -7.638 5.629
54 HD2 LYS 8 HD2 LYS 8 -1.544 -6.221 6.892
55 HD3 LYS 8 HD1 LYS 8 -1.655 -5.578 5.254
56 HE2 LYS 8 HE2 LYS 8 -3.244 -3.897 6.002
57 HE3 LYS 8 HE1 LYS 8 -3.213 -4.569 7.633
58 HZ1 LYS 8 HZ1 LYS 8 -1.796 -2.609 7.415
59 HZ2 LYS 8 HZ2 LYS 8 -0.877 -3.385 6.223
60 HZ3 LYS 8 HZ3 LYS 8 -0.889 -3.980 7.808
61 H GLY 9 H GLY 9 -3.446 -7.887 1.703
62 HA2 GLY 9 HA2 GLY 9 -4.880 -8.718 0.107
63 HA3 GLY 9 HA1 GLY 9 -6.128 -7.646 0.718
64 H HIS 10 H HIS 10 -5.175 -5.148 0.301
65 HA HIS 10 HA HIS 10 -3.843 -4.641 -2.087
66 HB2 HIS 10 HB2 HIS 10 -5.691 -4.053 -3.631
67 HB3 HIS 10 HB1 HIS 10 -5.589 -5.772 -3.300
68 HD1 HIS 10 HD1 HIS 10 -8.147 -5.142 -4.413
69 HD2 HIS 10 HD2 HIS 10 -7.463 -4.508 -0.362
70 HE1 HIS 10 HE1 HIS 10 -10.421 -5.101 -3.345
71 HE2 HIS 10 HE2 HIS 10 -9.977 -4.840 -0.881
72 H CYS 11 H CYS 11 -3.906 -2.466 -2.768
73 HA CYS 11 HA CYS 11 -4.352 -0.624 -0.611
74 HB2 CYS 11 HB2 CYS 11 -3.601 0.157 -3.413
75 HB3 CYS 11 HB1 CYS 11 -3.100 0.887 -1.891
76 H LYS 12 H LYS 12 -5.382 1.563 -1.168
77 HA LYS 12 HA LYS 12 -8.071 1.049 -2.124
78 HB2 LYS 12 HB2 LYS 12 -7.192 3.827 -1.502
79 HB3 LYS 12 HB1 LYS 12 -8.707 3.025 -1.125
80 HG2 LYS 12 HG2 LYS 12 -6.083 2.747 0.318
81 HG3 LYS 12 HG1 LYS 12 -7.561 3.502 0.909
82 HD2 LYS 12 HD2 LYS 12 -8.666 1.408 1.070
83 HD3 LYS 12 HD1 LYS 12 -7.388 0.590 0.165
84 HE2 LYS 12 HE2 LYS 12 -5.812 1.212 2.013
85 HE3 LYS 12 HE1 LYS 12 -7.209 1.778 2.928
86 HZ1 LYS 12 HZ1 LYS 12 -8.073 -0.610 2.380
87 HZ2 LYS 12 HZ2 LYS 12 -7.031 -0.344 3.685
88 HZ3 LYS 12 HZ3 LYS 12 -6.424 -0.952 2.229
89 H ARG 13 H ARG 13 -9.090 2.504 -3.722
90 HA ARG 13 HA ARG 13 -7.611 2.601 -6.138
91 HB2 ARG 13 HB2 ARG 13 -10.295 3.762 -5.378
92 HB3 ARG 13 HB1 ARG 13 -9.634 3.841 -7.004
93 HG2 ARG 13 HG2 ARG 13 -9.588 1.394 -7.099
94 HG3 ARG 13 HG1 ARG 13 -10.269 1.328 -5.471
95 HD2 ARG 13 HD2 ARG 13 -11.991 1.015 -7.188
96 HD3 ARG 13 HD1 ARG 13 -12.271 2.472 -6.239
97 HE ARG 13 HE ARG 13 -12.062 3.699 -8.143
98 HH11 ARG 13 HH11 ARG 13 -10.626 0.557 -8.728
99 HH12 ARG 13 HH12 ARG 13 -10.268 0.884 -10.391
100 HH21 ARG 13 HH21 ARG 13 -11.587 4.139 -10.336
101 HH22 ARG 13 HH22 ARG 13 -10.817 2.929 -11.308
102 H GLY 14 H GLY 14 -5.820 3.879 -5.207
103 HA2 GLY 14 HA2 GLY 14 -5.688 6.452 -6.248
104 HA3 GLY 14 HA1 GLY 14 -6.106 6.617 -4.545
105 H GLU 15 H GLU 15 -4.616 4.096 -3.930
106 HA GLU 15 HA GLU 15 -2.066 5.351 -3.463
107 HB2 GLU 15 HB2 GLU 15 -2.887 2.508 -2.900
108 HB3 GLU 15 HB1 GLU 15 -1.507 3.348 -2.224
109 HG2 GLU 15 HG2 GLU 15 -3.032 4.867 -1.058
110 HG3 GLU 15 HG1 GLU 15 -4.404 3.970 -1.713
111 H ARG 16 H ARG 16 -0.067 4.703 -4.280
112 HA ARG 16 HA ARG 16 -0.172 3.495 -6.910
113 HB2 ARG 16 HB2 ARG 16 2.115 4.668 -5.312
114 HB3 ARG 16 HB1 ARG 16 2.280 4.025 -6.940
115 HG2 ARG 16 HG2 ARG 16 0.993 5.741 -7.873
116 HG3 ARG 16 HG1 ARG 16 0.333 6.214 -6.308
117 HD2 ARG 16 HD2 ARG 16 3.248 6.457 -7.041
118 HD3 ARG 16 HD1 ARG 16 2.077 7.762 -7.237
119 HE ARG 16 HE ARG 16 1.981 6.787 -4.588
120 HH11 ARG 16 HH11 ARG 16 4.082 8.634 -6.700
121 HH12 ARG 16 HH12 ARG 16 4.764 9.572 -5.413
122 HH21 ARG 16 HH21 ARG 16 2.848 8.044 -2.892
123 HH22 ARG 16 HH22 ARG 16 4.066 9.231 -3.240
124 H VAL 17 H VAL 17 0.210 1.433 -7.319
125 HA VAL 17 HA VAL 17 0.838 -0.392 -5.202
126 HB VAL 17 HB VAL 17 -0.751 -1.106 -6.857
127 HG11 VAL 17 HG11 VAL 17 1.103 -1.366 -9.110
128 HG12 VAL 17 HG21 VAL 17 0.716 0.297 -8.670
129 HG13 VAL 17 3HG1 VAL 17 -0.577 -0.832 -9.075
130 HG21 VAL 17 HG12 VAL 17 -0.055 -3.250 -7.027
131 HG22 VAL 17 HG22 VAL 17 1.247 -2.668 -5.988
132 HG23 VAL 17 HG23 VAL 17 1.501 -2.805 -7.728
133 H ARG 18 H ARG 18 2.760 -1.331 -4.712
134 HA ARG 18 HA ARG 18 5.013 -0.659 -6.490
135 HB2 ARG 18 HB2 ARG 18 4.973 -1.071 -3.502
136 HB3 ARG 18 HB1 ARG 18 6.450 -0.934 -4.449
137 HG2 ARG 18 HG2 ARG 18 4.325 1.156 -4.057
138 HG3 ARG 18 HG1 ARG 18 5.999 1.195 -3.498
139 HD2 ARG 18 HD2 ARG 18 5.088 1.210 -6.373
140 HD3 ARG 18 HD1 ARG 18 5.687 2.601 -5.472
141 HE ARG 18 HE ARG 18 7.713 0.833 -5.260
142 HH11 ARG 18 HH11 ARG 18 5.873 1.969 -8.000
143 HH12 ARG 18 HH12 ARG 18 7.206 1.885 -9.104
144 HH21 ARG 18 HH21 ARG 18 9.489 0.708 -6.707
145 HH22 ARG 18 HH22 ARG 18 9.272 1.162 -8.365
146 H GLY 19 H GLY 19 3.727 -3.195 -4.375
147 HA2 GLY 19 HA2 GLY 19 4.184 -5.324 -6.047
148 HA3 GLY 19 HA1 GLY 19 5.688 -5.125 -5.153
149 H THR 20 H THR 20 5.519 -7.026 -3.980
150 HA THR 20 HA THR 20 3.199 -7.240 -2.187
151 HB THR 20 HB THR 20 4.106 -9.604 -1.822
152 HG1 THR 20 HG1 THR 20 6.172 -9.219 -2.782
153 HG21 THR 20 HG12 THR 20 2.264 -9.882 -3.076
154 HG22 THR 20 HG22 THR 20 3.373 -10.058 -4.435
155 HG23 THR 20 HG23 THR 20 2.640 -8.491 -4.092
156 H CYS 21 H CYS 21 3.492 -7.406 0.045
157 HA CYS 21 HA CYS 21 6.270 -7.004 0.963
158 HB2 CYS 21 HB2 CYS 21 5.273 -5.674 2.864
159 HB3 CYS 21 HB1 CYS 21 5.197 -4.910 1.282
160 H GLY 22 H GLY 22 4.148 -9.288 0.787
161 HA2 GLY 22 HA2 GLY 22 5.117 -11.008 2.629
162 HA3 GLY 22 HA1 GLY 22 3.908 -10.113 3.541
163 H ILE 23 H ILE 23 3.150 -12.488 3.612
164 HA ILE 23 HA ILE 23 1.955 -13.615 1.313
165 HB ILE 23 HB ILE 23 0.635 -14.999 2.962
166 HG12 ILE 23 HG21 ILE 23 2.382 -13.566 4.981
167 HG13 ILE 23 HG11 ILE 23 0.645 -13.342 4.811
168 HG21 ILE 23 HG12 ILE 23 3.322 -15.457 3.913
169 HG22 ILE 23 HG22 ILE 23 3.301 -15.109 2.184
170 HG23 ILE 23 HG23 ILE 23 2.328 -16.431 2.829
171 HD11 ILE 23 HD11 ILE 23 0.269 -15.656 5.438
172 HD12 ILE 23 HD12 ILE 23 1.201 -14.811 6.675
173 HD13 ILE 23 HD13 ILE 23 2.009 -15.917 5.562
174 H ARG 24 H ARG 24 0.355 -12.797 0.222
175 HA ARG 24 HA ARG 24 -1.590 -11.794 -0.378
176 HB2 ARG 24 HB2 ARG 24 -2.503 -13.445 1.317
177 HB3 ARG 24 HB1 ARG 24 -2.466 -12.144 2.496
178 HG2 ARG 24 HG2 ARG 24 -4.018 -10.853 1.086
179 HG3 ARG 24 HG1 ARG 24 -4.089 -12.210 -0.042
180 HD2 ARG 24 HD2 ARG 24 -4.987 -13.641 1.710
181 HD3 ARG 24 HD1 ARG 24 -4.868 -12.321 2.871
182 HE ARG 24 HE ARG 24 -6.839 -11.512 2.080
183 HH11 ARG 24 HH11 ARG 24 -5.527 -13.684 -0.333
184 HH12 ARG 24 HH12 ARG 24 -6.894 -13.550 -1.388
185 HH21 ARG 24 HH21 ARG 24 -8.658 -11.346 0.697
186 HH22 ARG 24 HH22 ARG 24 -8.678 -12.219 -0.800
187 H PHE 25 H PHE 25 0.715 -10.342 0.850
188 HA PHE 25 HA PHE 25 -0.697 -7.885 1.658
189 HB2 PHE 25 HB2 PHE 25 2.105 -8.792 2.339
190 HB3 PHE 25 HB1 PHE 25 1.439 -7.207 2.724
191 HD1 PHE 25 HD2 PHE 25 -1.389 -8.526 3.334
192 HD2 PHE 25 HD1 PHE 25 2.589 -9.185 4.691
193 HE1 PHE 25 HE2 PHE 25 -2.263 -9.413 5.455
194 HE2 PHE 25 HE1 PHE 25 1.721 -10.070 6.816
195 HZ PHE 25 HZ PHE 25 -0.708 -10.186 7.200
196 H LEU 26 H LEU 26 -0.293 -6.045 0.595
197 HA LEU 26 HA LEU 26 1.583 -6.163 -1.682
198 HB2 LEU 26 HB2 LEU 26 -0.972 -6.259 -2.103
199 HB3 LEU 26 HB1 LEU 26 -0.971 -4.571 -1.645
200 HG LEU 26 HG LEU 26 0.802 -5.534 -3.869
201 HD11 LEU 26 HD11 LEU 26 -1.916 -4.449 -4.438
202 HD12 LEU 26 HD12 LEU 26 -1.743 -6.163 -4.062
203 HD13 LEU 26 HD13 LEU 26 -0.878 -5.472 -5.434
204 HD21 LEU 26 HD21 LEU 26 0.574 -3.251 -4.634
205 HD22 LEU 26 HD22 LEU 26 1.101 -3.262 -2.951
206 HD23 LEU 26 HD23 LEU 26 -0.580 -2.904 -3.346
207 H TYR 27 H TYR 27 2.957 -4.429 -1.907
208 HA TYR 27 HA TYR 27 3.100 -2.565 0.288
209 HB2 TYR 27 HB2 TYR 27 5.057 -3.636 -1.083
210 HB3 TYR 27 HB1 TYR 27 4.747 -2.322 -2.213
211 HD1 TYR 27 HD2 TYR 27 4.647 -2.335 1.509
212 HD2 TYR 27 HD1 TYR 27 6.567 -0.879 -1.996
213 HE1 TYR 27 HE2 TYR 27 6.025 -0.844 2.892
214 HE2 TYR 27 HE1 TYR 27 7.953 0.615 -0.621
215 HH TYR 27 HH TYR 27 8.736 0.844 1.635
216 H CYS 28 H CYS 28 1.955 -0.771 0.384
217 HA CYS 28 HA CYS 28 0.946 0.400 -2.114
218 HB2 CYS 28 HB2 CYS 28 -0.091 0.718 0.708
219 HB3 CYS 28 HB1 CYS 28 -0.855 1.320 -0.760
220 H CYS 29 H CYS 29 1.209 2.516 -2.577
221 HA CYS 29 HA CYS 29 2.509 4.259 -0.618
222 HB2 CYS 29 HB2 CYS 29 3.500 3.849 -3.455
223 HB3 CYS 29 HB1 CYS 29 4.075 5.098 -2.359
224 HA PRO 30 HA PRO 30 -1.194 6.118 -2.739
225 HB2 PRO 30 HB2 PRO 30 -1.762 7.751 -0.590
226 HB3 PRO 30 HB1 PRO 30 -2.416 6.121 -0.833
227 HG2 PRO 30 HG2 PRO 30 -0.083 6.994 0.836
228 HG3 PRO 30 HG1 PRO 30 -1.374 5.843 1.231
229 HD2 PRO 30 HD2 PRO 30 1.034 4.983 0.472
230 HD3 PRO 30 HD1 PRO 30 -0.439 4.158 -0.081
231 H ARG 31 H ARG 31 -1.477 8.164 -3.634
232 HA ARG 31 HA ARG 31 0.919 9.852 -3.491
233 HB2 ARG 31 HB2 ARG 31 0.038 10.777 -5.701
234 HB3 ARG 31 HB1 ARG 31 0.659 9.137 -5.705
235 HG2 ARG 31 HG2 ARG 31 -1.265 9.027 -7.004
236 HG3 ARG 31 HG1 ARG 31 -1.773 8.400 -5.437
237 HD2 ARG 31 HD2 ARG 31 -3.419 9.949 -6.427
238 HD3 ARG 31 HD1 ARG 31 -2.794 10.517 -4.878
239 HE ARG 31 HE ARG 31 -1.216 11.646 -6.869
240 HH11 ARG 31 HH11 ARG 31 -4.551 11.755 -5.845
241 HH12 ARG 31 HH12 ARG 31 -4.793 13.395 -6.348
242 HH21 ARG 31 HH21 ARG 31 -1.514 13.816 -7.536
243 HH22 ARG 31 HH22 ARG 31 -3.055 14.573 -7.315
244 H ARG 32 H ARG 32 -1.494 9.900 -1.695
245 HA ARG 32 HA ARG 32 -1.587 12.634 -1.190
246 HB2 ARG 32 HB2 ARG 32 -3.036 12.431 -3.361
247 HB3 ARG 32 HB1 ARG 32 -4.243 11.738 -2.288
248 HG2 ARG 32 HG2 ARG 32 -3.321 14.094 -1.050
249 HG3 ARG 32 HG1 ARG 32 -3.602 14.483 -2.746
250 HD2 ARG 32 HD2 ARG 32 -5.623 14.894 -1.530
251 HD3 ARG 32 HD1 ARG 32 -5.865 13.469 -2.537
252 HE ARG 32 HE ARG 32 -4.991 12.606 -0.025
253 HH11 ARG 32 HH11 ARG 32 -7.780 14.211 -1.429
254 HH12 ARG 32 HH12 ARG 32 -8.893 13.587 -0.258
255 HH21 ARG 32 HH21 ARG 32 -6.458 11.784 1.516
256 HH22 ARG 32 HH22 ARG 32 -8.138 12.201 1.427
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 9.678 8.945 1.103
2 H2 GLY 1 HT2 GLY 1 10.123 8.597 -0.490
3 H3 GLY 1 HT3 GLY 1 8.990 7.623 0.302
4 HA2 GLY 1 HA1 GLY 1 8.176 10.349 0.300
5 HA3 GLY 1 HA2 GLY 1 8.444 9.747 -1.333
6 H LEU 2 H LEU 2 5.950 10.434 0.175
7 HA LEU 2 HA LEU 2 3.799 9.734 0.200
8 HB2 LEU 2 HB2 LEU 2 4.974 7.482 -1.400
9 HB3 LEU 2 HB1 LEU 2 3.311 7.411 -0.856
10 HG LEU 2 HG LEU 2 2.878 9.552 -2.073
11 HD11 LEU 2 HD11 LEU 2 5.650 9.699 -2.220
12 HD12 LEU 2 HD12 LEU 2 4.487 10.742 -3.038
13 HD13 LEU 2 HD13 LEU 2 5.131 9.323 -3.864
14 HD21 LEU 2 HD21 LEU 2 2.517 8.505 -4.114
15 HD22 LEU 2 HD22 LEU 2 2.564 7.161 -2.973
16 HD23 LEU 2 HD23 LEU 2 3.970 7.516 -3.977
17 H LEU 3 H LEU 3 2.406 8.502 1.504
18 HA LEU 3 HA LEU 3 3.715 7.324 3.787
19 HB2 LEU 3 HB2 LEU 3 1.427 8.767 3.471
20 HB3 LEU 3 HB1 LEU 3 0.777 7.142 3.552
21 HG LEU 3 HG LEU 3 0.747 8.206 5.745
22 HD11 LEU 3 HD11 LEU 3 1.959 5.701 5.157
23 HD12 LEU 3 HD12 LEU 3 1.021 6.174 6.574
24 HD13 LEU 3 HD13 LEU 3 2.768 6.407 6.556
25 HD21 LEU 3 HD21 LEU 3 2.975 9.489 5.064
26 HD22 LEU 3 HD22 LEU 3 3.698 8.169 5.981
27 HD23 LEU 3 HD23 LEU 3 2.509 9.226 6.744
28 H CYS 4 H CYS 4 4.568 5.660 2.110
29 HA CYS 4 HA CYS 4 2.855 3.633 1.162
30 HB2 CYS 4 HB2 CYS 4 5.802 3.395 1.767
31 HB3 CYS 4 HB1 CYS 4 4.857 2.372 0.692
32 H TYR 5 H TYR 5 2.199 1.743 1.976
33 HA TYR 5 HA TYR 5 3.319 0.620 4.371
34 HB2 TYR 5 HB2 TYR 5 0.996 0.538 5.489
35 HB3 TYR 5 HB1 TYR 5 1.922 2.026 5.607
36 HD1 TYR 5 HD2 TYR 5 -0.323 0.705 2.896
37 HD2 TYR 5 HD1 TYR 5 0.447 3.774 5.743
38 HE1 TYR 5 HE2 TYR 5 -2.254 1.973 2.047
39 HE2 TYR 5 HE1 TYR 5 -1.482 5.044 4.904
40 HH TYR 5 HH TYR 5 -3.302 3.978 2.066
41 H CYS 6 H CYS 6 2.313 -1.500 4.876
42 HA CYS 6 HA CYS 6 1.824 -2.880 2.411
43 HB2 CYS 6 HB2 CYS 6 1.927 -3.885 5.258
44 HB3 CYS 6 HB1 CYS 6 1.813 -4.913 3.833
45 H GLY 7 H GLY 7 -0.053 -3.147 1.506
46 HA2 GLY 7 HA2 GLY 7 -2.513 -2.807 3.027
47 HA3 GLY 7 HA1 GLY 7 -2.370 -2.909 1.276
48 H LYS 8 H LYS 8 -4.219 -4.326 2.935
49 HA LYS 8 HA LYS 8 -3.280 -7.071 3.013
50 HB2 LYS 8 HB2 LYS 8 -5.878 -5.763 3.821
51 HB3 LYS 8 HB1 LYS 8 -5.618 -7.500 3.889
52 HG2 LYS 8 HG2 LYS 8 -3.934 -5.483 5.356
53 HG3 LYS 8 HG1 LYS 8 -5.316 -6.328 6.056
54 HD2 LYS 8 HD2 LYS 8 -2.870 -7.670 4.904
55 HD3 LYS 8 HD1 LYS 8 -3.150 -7.380 6.622
56 HE2 LYS 8 HE2 LYS 8 -5.133 -8.781 6.559
57 HE3 LYS 8 HE1 LYS 8 -4.933 -9.022 4.824
58 HZ1 LYS 8 HZ1 LYS 8 -3.118 -9.964 6.975
59 HZ2 LYS 8 HZ2 LYS 8 -2.761 -10.071 5.326
60 HZ3 LYS 8 HZ3 LYS 8 -4.080 -10.919 5.962
61 H GLY 9 H GLY 9 -3.246 -8.121 1.133
62 HA2 GLY 9 HA2 GLY 9 -4.092 -9.223 -0.699
63 HA3 GLY 9 HA1 GLY 9 -5.679 -8.621 -0.265
64 H HIS 10 H HIS 10 -5.128 -5.836 -0.452
65 HA HIS 10 HA HIS 10 -4.021 -5.254 -3.029
66 HB2 HIS 10 HB2 HIS 10 -6.128 -4.481 -4.082
67 HB3 HIS 10 HB1 HIS 10 -6.108 -6.216 -3.817
68 HD1 HIS 10 HD1 HIS 10 -8.803 -5.291 -4.252
69 HD2 HIS 10 HD2 HIS 10 -7.083 -4.960 -0.480
70 HE1 HIS 10 HE1 HIS 10 -10.728 -5.106 -2.645
71 HE2 HIS 10 HE2 HIS 10 -9.665 -4.900 -0.370
72 H CYS 11 H CYS 11 -4.015 -3.007 -3.512
73 HA CYS 11 HA CYS 11 -3.948 -1.359 -1.156
74 HB2 CYS 11 HB2 CYS 11 -3.605 -0.452 -4.015
75 HB3 CYS 11 HB1 CYS 11 -2.993 0.322 -2.558
76 H LYS 12 H LYS 12 -4.998 0.763 -1.114
77 HA LYS 12 HA LYS 12 -7.803 0.537 -1.778
78 HB2 LYS 12 HB2 LYS 12 -7.758 1.601 0.217
79 HB3 LYS 12 HB1 LYS 12 -6.103 2.141 -0.004
80 HG2 LYS 12 HG2 LYS 12 -7.404 3.779 -1.726
81 HG3 LYS 12 HG1 LYS 12 -8.636 3.544 -0.482
82 HD2 LYS 12 HD2 LYS 12 -7.303 4.454 1.192
83 HD3 LYS 12 HD1 LYS 12 -5.814 4.197 0.278
84 HE2 LYS 12 HE2 LYS 12 -6.811 5.891 -1.393
85 HE3 LYS 12 HE1 LYS 12 -7.906 6.317 -0.078
86 HZ1 LYS 12 HZ1 LYS 12 -6.214 7.190 1.165
87 HZ2 LYS 12 HZ2 LYS 12 -5.651 7.564 -0.390
88 HZ3 LYS 12 HZ3 LYS 12 -5.020 6.228 0.449
89 H ARG 13 H ARG 13 -8.945 2.099 -3.082
90 HA ARG 13 HA ARG 13 -7.811 2.611 -5.548
91 HB2 ARG 13 HB2 ARG 13 -9.731 4.284 -5.824
92 HB3 ARG 13 HB1 ARG 13 -10.155 2.615 -5.484
93 HG2 ARG 13 HG2 ARG 13 -11.584 3.798 -4.110
94 HG3 ARG 13 HG1 ARG 13 -10.263 3.385 -3.020
95 HD2 ARG 13 HD2 ARG 13 -10.835 5.670 -2.643
96 HD3 ARG 13 HD1 ARG 13 -9.283 5.633 -3.475
97 HE ARG 13 HE ARG 13 -11.530 5.919 -5.242
98 HH11 ARG 13 HH11 ARG 13 -9.153 7.588 -3.285
99 HH12 ARG 13 HH12 ARG 13 -9.411 9.121 -4.038
100 HH21 ARG 13 HH21 ARG 13 -11.883 7.946 -6.252
101 HH22 ARG 13 HH22 ARG 13 -10.977 9.327 -5.735
102 H GLY 14 H GLY 14 -6.579 4.172 -6.413
103 HA2 GLY 14 HA2 GLY 14 -5.812 6.430 -6.597
104 HA3 GLY 14 HA1 GLY 14 -6.194 6.661 -4.898
105 H GLU 15 H GLU 15 -4.893 4.036 -4.237
106 HA GLU 15 HA GLU 15 -2.233 5.118 -3.904
107 HB2 GLU 15 HB2 GLU 15 -3.098 2.356 -3.091
108 HB3 GLU 15 HB1 GLU 15 -1.851 3.365 -2.378
109 HG2 GLU 15 HG2 GLU 15 -3.622 4.914 -1.614
110 HG3 GLU 15 HG1 GLU 15 -4.822 3.772 -2.217
111 H ARG 16 H ARG 16 -0.300 4.129 -4.626
112 HA ARG 16 HA ARG 16 -0.701 2.449 -7.010
113 HB2 ARG 16 HB2 ARG 16 0.333 4.682 -7.391
114 HB3 ARG 16 HB1 ARG 16 1.660 4.216 -6.337
115 HG2 ARG 16 HG2 ARG 16 2.250 3.995 -8.694
116 HG3 ARG 16 HG1 ARG 16 2.283 2.437 -7.867
117 HD2 ARG 16 HD2 ARG 16 1.235 2.261 -10.072
118 HD3 ARG 16 HD1 ARG 16 0.097 1.882 -8.782
119 HE ARG 16 HE ARG 16 -1.192 3.626 -9.473
120 HH11 ARG 16 HH11 ARG 16 2.041 4.117 -10.732
121 HH12 ARG 16 HH12 ARG 16 1.614 5.526 -11.643
122 HH21 ARG 16 HH21 ARG 16 -1.764 5.481 -10.685
123 HH22 ARG 16 HH22 ARG 16 -0.558 6.303 -11.618
124 H VAL 17 H VAL 17 0.106 0.455 -7.024
125 HA VAL 17 HA VAL 17 1.178 -0.681 -4.674
126 HB VAL 17 HB VAL 17 -0.156 -2.033 -6.166
127 HG11 VAL 17 HG11 VAL 17 1.628 -2.643 -8.281
128 HG12 VAL 17 HG21 VAL 17 1.457 -0.889 -8.201
129 HG13 VAL 17 3HG1 VAL 17 0.026 -1.908 -8.367
130 HG21 VAL 17 HG12 VAL 17 2.684 -2.886 -5.760
131 HG22 VAL 17 HG22 VAL 17 1.529 -3.950 -6.562
132 HG23 VAL 17 HG23 VAL 17 1.227 -3.407 -4.912
133 H ARG 18 H ARG 18 3.180 -0.970 -4.006
134 HA ARG 18 HA ARG 18 5.359 0.065 -5.654
135 HB2 ARG 18 HB2 ARG 18 5.046 0.965 -3.371
136 HB3 ARG 18 HB1 ARG 18 5.304 -0.642 -2.714
137 HG2 ARG 18 HG2 ARG 18 7.292 0.724 -2.485
138 HG3 ARG 18 HG1 ARG 18 7.590 -0.634 -3.569
139 HD2 ARG 18 HD2 ARG 18 6.811 2.080 -4.597
140 HD3 ARG 18 HD1 ARG 18 8.490 1.662 -4.260
141 HE ARG 18 HE ARG 18 7.451 -0.346 -5.882
142 HH11 ARG 18 HH11 ARG 18 8.148 3.078 -6.093
143 HH12 ARG 18 HH12 ARG 18 8.392 3.056 -7.807
144 HH21 ARG 18 HH21 ARG 18 7.767 -0.389 -8.134
145 HH22 ARG 18 HH22 ARG 18 8.172 1.069 -8.976
146 H GLY 19 H GLY 19 4.388 -2.812 -3.851
147 HA2 GLY 19 HA2 GLY 19 5.507 -4.668 -5.562
148 HA3 GLY 19 HA1 GLY 19 6.759 -4.300 -4.381
149 H THR 20 H THR 20 6.541 -6.580 -3.773
150 HA THR 20 HA THR 20 4.087 -7.332 -2.411
151 HB THR 20 HB THR 20 5.435 -9.480 -1.987
152 HG1 THR 20 HG1 THR 20 7.506 -8.764 -2.428
153 HG21 THR 20 HG12 THR 20 4.074 -8.493 -4.318
154 HG22 THR 20 HG22 THR 20 4.096 -10.125 -3.650
155 HG23 THR 20 HG23 THR 20 5.342 -9.622 -4.793
156 H CYS 21 H CYS 21 3.892 -7.708 -0.218
157 HA CYS 21 HA CYS 21 6.110 -6.685 1.428
158 HB2 CYS 21 HB2 CYS 21 4.078 -5.329 1.583
159 HB3 CYS 21 HB1 CYS 21 3.144 -6.753 2.026
160 H GLY 22 H GLY 22 3.635 -9.208 1.176
161 HA2 GLY 22 HA2 GLY 22 5.265 -11.246 2.144
162 HA3 GLY 22 HA1 GLY 22 4.361 -10.616 3.516
163 H ILE 23 H ILE 23 3.353 -12.716 3.664
164 HA ILE 23 HA ILE 23 1.823 -13.797 1.558
165 HB ILE 23 HB ILE 23 0.663 -15.155 3.269
166 HG12 ILE 23 HG21 ILE 23 0.853 -13.407 5.116
167 HG13 ILE 23 HG11 ILE 23 1.175 -15.070 5.584
168 HG21 ILE 23 HG12 ILE 23 2.401 -16.377 2.566
169 HG22 ILE 23 HG22 ILE 23 3.031 -16.069 4.185
170 HG23 ILE 23 HG23 ILE 23 3.561 -15.075 2.828
171 HD11 ILE 23 HD11 ILE 23 2.750 -13.591 6.640
172 HD12 ILE 23 HD12 ILE 23 3.220 -12.920 5.079
173 HD13 ILE 23 HD13 ILE 23 3.591 -14.600 5.463
174 H ARG 24 H ARG 24 0.265 -12.805 0.622
175 HA ARG 24 HA ARG 24 -1.639 -11.668 0.181
176 HB2 ARG 24 HB2 ARG 24 -2.521 -13.369 1.883
177 HB3 ARG 24 HB1 ARG 24 -2.452 -12.066 3.060
178 HG2 ARG 24 HG2 ARG 24 -4.692 -12.299 2.177
179 HG3 ARG 24 HG1 ARG 24 -4.000 -10.752 1.692
180 HD2 ARG 24 HD2 ARG 24 -5.166 -11.748 -0.179
181 HD3 ARG 24 HD1 ARG 24 -3.434 -11.718 -0.503
182 HE ARG 24 HE ARG 24 -4.092 -14.193 0.642
183 HH11 ARG 24 HH11 ARG 24 -4.608 -12.403 -2.320
184 HH12 ARG 24 HH12 ARG 24 -4.776 -13.819 -3.303
185 HH21 ARG 24 HH21 ARG 24 -4.309 -16.074 -0.653
186 HH22 ARG 24 HH22 ARG 24 -4.604 -15.914 -2.351
187 H PHE 25 H PHE 25 0.742 -10.337 1.120
188 HA PHE 25 HA PHE 25 -0.462 -7.798 2.009
189 HB2 PHE 25 HB2 PHE 25 2.062 -9.095 3.017
190 HB3 PHE 25 HB1 PHE 25 1.879 -7.349 3.021
191 HD1 PHE 25 HD1 PHE 25 0.251 -10.453 4.279
192 HD2 PHE 25 HD2 PHE 25 0.940 -6.294 4.824
193 HE1 PHE 25 HE1 PHE 25 -0.811 -10.570 6.494
194 HE2 PHE 25 HE2 PHE 25 -0.123 -6.399 7.039
195 HZ PHE 25 HZ PHE 25 -0.999 -8.543 7.879
196 H LEU 26 H LEU 26 0.257 -6.025 0.912
197 HA LEU 26 HA LEU 26 2.588 -6.341 -0.827
198 HB2 LEU 26 HB2 LEU 26 1.537 -5.576 -2.807
199 HB3 LEU 26 HB1 LEU 26 0.568 -6.896 -2.194
200 HG LEU 26 HG LEU 26 -0.139 -3.990 -1.794
201 HD11 LEU 26 HD11 LEU 26 -1.329 -3.971 -3.728
202 HD12 LEU 26 HD12 LEU 26 -1.620 -5.709 -3.699
203 HD13 LEU 26 HD13 LEU 26 -0.053 -5.086 -4.215
204 HD21 LEU 26 HD21 LEU 26 -1.054 -5.957 -0.318
205 HD22 LEU 26 HD22 LEU 26 -2.067 -6.261 -1.730
206 HD23 LEU 26 HD23 LEU 26 -2.136 -4.698 -0.915
207 H TYR 27 H TYR 27 3.696 -4.432 -1.217
208 HA TYR 27 HA TYR 27 3.177 -2.364 0.714
209 HB2 TYR 27 HB2 TYR 27 5.470 -3.298 -0.265
210 HB3 TYR 27 HB1 TYR 27 5.211 -2.022 -1.449
211 HD1 TYR 27 HD2 TYR 27 4.470 -2.068 2.199
212 HD2 TYR 27 HD1 TYR 27 6.790 -0.381 -0.940
213 HE1 TYR 27 HE2 TYR 27 5.410 -0.436 3.781
214 HE2 TYR 27 HE1 TYR 27 7.740 1.253 0.629
215 HH TYR 27 HH TYR 27 6.450 1.829 3.692
216 H CYS 28 H CYS 28 1.948 -0.634 0.384
217 HA CYS 28 HA CYS 28 1.405 0.161 -2.400
218 HB2 CYS 28 HB2 CYS 28 -0.470 0.381 -0.036
219 HB3 CYS 28 HB1 CYS 28 -0.838 0.787 -1.709
220 H CYS 29 H CYS 29 1.479 2.296 -2.910
221 HA CYS 29 HA CYS 29 2.187 4.164 -0.743
222 HB2 CYS 29 HB2 CYS 29 3.202 4.111 -3.596
223 HB3 CYS 29 HB1 CYS 29 3.538 5.393 -2.439
224 HA PRO 30 HA PRO 30 -1.767 5.618 -2.434
225 HB2 PRO 30 HB2 PRO 30 -2.351 7.206 -0.296
226 HB3 PRO 30 HB1 PRO 30 -2.706 5.477 -0.392
227 HG2 PRO 30 HG2 PRO 30 -0.433 6.874 0.962
228 HG3 PRO 30 HG1 PRO 30 -1.399 5.497 1.525
229 HD2 PRO 30 HD2 PRO 30 1.070 5.197 0.467
230 HD3 PRO 30 HD1 PRO 30 -0.207 3.981 0.263
231 H ARG 31 H ARG 31 -2.169 7.257 -3.668
232 HA ARG 31 HA ARG 31 -0.609 9.730 -3.327
233 HB2 ARG 31 HB2 ARG 31 -0.080 8.270 -5.381
234 HB3 ARG 31 HB1 ARG 31 -1.655 8.768 -5.986
235 HG2 ARG 31 HG2 ARG 31 0.033 10.178 -6.939
236 HG3 ARG 31 HG1 ARG 31 -0.929 11.129 -5.802
237 HD2 ARG 31 HD2 ARG 31 0.837 10.680 -4.080
238 HD3 ARG 31 HD1 ARG 31 1.814 9.961 -5.359
239 HE ARG 31 HE ARG 31 2.366 12.056 -6.054
240 HH11 ARG 31 HH11 ARG 31 -0.515 12.296 -4.070
241 HH12 ARG 31 HH12 ARG 31 -0.535 14.029 -4.085
242 HH21 ARG 31 HH21 ARG 31 2.331 14.347 -6.086
243 HH22 ARG 31 HH22 ARG 31 1.082 15.196 -5.241
244 H ARG 32 H ARG 32 -3.628 8.239 -3.510
245 HA ARG 32 HA ARG 32 -5.013 10.796 -3.317
246 HB2 ARG 32 HB2 ARG 32 -5.807 8.538 -5.172
247 HB3 ARG 32 HB1 ARG 32 -6.874 9.861 -4.733
248 HG2 ARG 32 HG2 ARG 32 -4.250 10.156 -6.175
249 HG3 ARG 32 HG1 ARG 32 -5.843 10.158 -6.934
250 HD2 ARG 32 HD2 ARG 32 -6.435 12.122 -5.503
251 HD3 ARG 32 HD1 ARG 32 -4.758 12.160 -4.955
252 HE ARG 32 HE ARG 32 -4.754 12.181 -7.746
253 HH11 ARG 32 HH11 ARG 32 -5.733 14.252 -5.104
254 HH12 ARG 32 HH12 ARG 32 -5.510 15.720 -5.998
255 HH21 ARG 32 HH21 ARG 32 -4.449 14.111 -8.935
256 HH22 ARG 32 HH22 ARG 32 -4.774 15.638 -8.187
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 9.695 8.671 0.046
2 H2 GLY 1 HT2 GLY 1 10.702 9.633 1.005
3 H3 GLY 1 HT3 GLY 1 9.941 10.298 -0.350
4 HA2 GLY 1 HA1 GLY 1 8.956 9.970 2.313
5 HA3 GLY 1 HA2 GLY 1 8.355 11.001 1.019
6 H LEU 2 H LEU 2 6.203 10.493 1.488
7 HA LEU 2 HA LEU 2 4.233 9.458 1.105
8 HB2 LEU 2 HB2 LEU 2 5.921 7.468 -0.408
9 HB3 LEU 2 HB1 LEU 2 4.171 7.416 -0.341
10 HG LEU 2 HG LEU 2 5.799 9.680 -1.501
11 HD11 LEU 2 HD11 LEU 2 6.023 7.890 -2.996
12 HD12 LEU 2 HD12 LEU 2 4.682 8.841 -3.634
13 HD13 LEU 2 HD13 LEU 2 4.363 7.355 -2.740
14 HD21 LEU 2 HD21 LEU 2 3.519 10.186 -0.452
15 HD22 LEU 2 HD22 LEU 2 2.843 9.250 -1.786
16 HD23 LEU 2 HD23 LEU 2 3.788 10.702 -2.117
17 H LEU 3 H LEU 3 2.957 8.213 2.321
18 HA LEU 3 HA LEU 3 4.189 6.692 4.437
19 HB2 LEU 3 HB2 LEU 3 1.311 7.355 3.820
20 HB3 LEU 3 HB1 LEU 3 1.798 6.379 5.191
21 HG LEU 3 HG LEU 3 3.212 8.401 5.904
22 HD11 LEU 3 HD11 LEU 3 3.013 10.399 4.894
23 HD12 LEU 3 HD12 LEU 3 1.311 10.152 4.502
24 HD13 LEU 3 HD13 LEU 3 2.563 9.424 3.495
25 HD21 LEU 3 HD21 LEU 3 0.202 8.533 5.918
26 HD22 LEU 3 HD22 LEU 3 1.265 9.468 6.970
27 HD23 LEU 3 HD23 LEU 3 1.227 7.709 7.091
28 H CYS 4 H CYS 4 4.990 5.259 2.514
29 HA CYS 4 HA CYS 4 3.252 3.412 1.306
30 HB2 CYS 4 HB2 CYS 4 6.155 2.956 2.000
31 HB3 CYS 4 HB1 CYS 4 5.221 2.148 0.746
32 H TYR 5 H TYR 5 2.508 1.427 1.880
33 HA TYR 5 HA TYR 5 3.544 0.024 4.148
34 HB2 TYR 5 HB2 TYR 5 1.519 0.006 5.510
35 HB3 TYR 5 HB1 TYR 5 2.142 1.637 5.339
36 HD1 TYR 5 HD1 TYR 5 -0.392 -0.646 3.779
37 HD2 TYR 5 HD2 TYR 5 0.657 3.333 4.865
38 HE1 TYR 5 HE1 TYR 5 -2.627 0.121 3.107
39 HE2 TYR 5 HE2 TYR 5 -1.576 4.110 4.191
40 HH TYR 5 HH TYR 5 -3.653 2.348 2.310
41 H CYS 6 H CYS 6 2.368 -2.037 4.507
42 HA CYS 6 HA CYS 6 1.640 -3.110 1.911
43 HB2 CYS 6 HB2 CYS 6 2.187 -4.515 4.529
44 HB3 CYS 6 HB1 CYS 6 1.929 -5.306 2.976
45 H GLY 7 H GLY 7 -0.398 -2.949 1.361
46 HA2 GLY 7 HA2 GLY 7 -2.574 -2.895 3.227
47 HA3 GLY 7 HA1 GLY 7 -2.697 -2.949 1.472
48 H LYS 8 H LYS 8 -4.163 -4.467 3.545
49 HA LYS 8 HA LYS 8 -3.195 -7.179 3.288
50 HB2 LYS 8 HB2 LYS 8 -5.813 -6.219 4.457
51 HB3 LYS 8 HB1 LYS 8 -5.053 -7.785 4.708
52 HG2 LYS 8 HG2 LYS 8 -3.988 -5.127 5.643
53 HG3 LYS 8 HG1 LYS 8 -4.757 -6.357 6.647
54 HD2 LYS 8 HD2 LYS 8 -2.960 -7.890 6.264
55 HD3 LYS 8 HD1 LYS 8 -2.248 -6.831 5.045
56 HE2 LYS 8 HE2 LYS 8 -2.556 -6.154 7.968
57 HE3 LYS 8 HE1 LYS 8 -1.071 -6.732 7.216
58 HZ1 LYS 8 HZ1 LYS 8 -2.476 -4.175 6.685
59 HZ2 LYS 8 HZ2 LYS 8 -1.206 -4.750 5.724
60 HZ3 LYS 8 HZ3 LYS 8 -0.937 -4.384 7.355
61 H GLY 9 H GLY 9 -3.448 -8.149 1.381
62 HA2 GLY 9 HA2 GLY 9 -4.579 -9.178 -0.348
63 HA3 GLY 9 HA1 GLY 9 -6.083 -8.548 0.307
64 H HIS 10 H HIS 10 -5.527 -5.814 0.248
65 HA HIS 10 HA HIS 10 -4.566 -4.951 -2.277
66 HB2 HIS 10 HB2 HIS 10 -6.739 -4.183 -3.225
67 HB3 HIS 10 HB1 HIS 10 -6.578 -5.930 -3.184
68 HD1 HIS 10 HD1 HIS 10 -9.334 -5.197 -3.512
69 HD2 HIS 10 HD2 HIS 10 -7.635 -5.173 0.281
70 HE1 HIS 10 HE1 HIS 10 -11.262 -5.362 -1.908
71 HE2 HIS 10 HE2 HIS 10 -10.217 -5.196 0.377
72 H CYS 11 H CYS 11 -4.333 -2.752 -2.351
73 HA CYS 11 HA CYS 11 -4.726 -1.369 0.155
74 HB2 CYS 11 HB2 CYS 11 -3.560 -0.281 -2.410
75 HB3 CYS 11 HB1 CYS 11 -3.342 0.353 -0.781
76 H LYS 12 H LYS 12 -5.392 1.053 -0.105
77 HA LYS 12 HA LYS 12 -8.097 1.030 -1.113
78 HB2 LYS 12 HB2 LYS 12 -7.591 2.094 1.028
79 HB3 LYS 12 HB1 LYS 12 -6.479 3.202 0.235
80 HG2 LYS 12 HG2 LYS 12 -8.398 4.099 -1.068
81 HG3 LYS 12 HG1 LYS 12 -9.467 3.079 -0.104
82 HD2 LYS 12 HD2 LYS 12 -8.768 4.217 1.922
83 HD3 LYS 12 HD1 LYS 12 -7.618 5.191 1.003
84 HE2 LYS 12 HE2 LYS 12 -9.488 6.153 -0.273
85 HE3 LYS 12 HE1 LYS 12 -10.620 5.208 0.693
86 HZ1 LYS 12 HZ1 LYS 12 -10.642 6.884 2.119
87 HZ2 LYS 12 HZ2 LYS 12 -9.408 7.694 1.294
88 HZ3 LYS 12 HZ3 LYS 12 -9.023 6.562 2.491
89 H ARG 13 H ARG 13 -8.933 2.223 -2.790
90 HA ARG 13 HA ARG 13 -7.283 2.776 -4.994
91 HB2 ARG 13 HB2 ARG 13 -9.697 2.287 -5.197
92 HB3 ARG 13 HB1 ARG 13 -10.069 3.818 -4.417
93 HG2 ARG 13 HG2 ARG 13 -10.350 3.970 -6.825
94 HG3 ARG 13 HG1 ARG 13 -9.047 5.024 -6.276
95 HD2 ARG 13 HD2 ARG 13 -8.381 3.884 -8.302
96 HD3 ARG 13 HD1 ARG 13 -7.410 3.311 -6.948
97 HE ARG 13 HE ARG 13 -9.640 1.623 -7.286
98 HH11 ARG 13 HH11 ARG 13 -6.600 2.435 -8.818
99 HH12 ARG 13 HH12 ARG 13 -6.414 0.888 -9.575
100 HH21 ARG 13 HH21 ARG 13 -9.405 -0.428 -8.286
101 HH22 ARG 13 HH22 ARG 13 -8.016 -0.745 -9.273
102 H GLY 14 H GLY 14 -5.767 4.260 -4.956
103 HA2 GLY 14 HA2 GLY 14 -5.795 6.861 -5.193
104 HA3 GLY 14 HA1 GLY 14 -6.170 6.751 -3.475
105 H GLU 15 H GLU 15 -4.567 4.272 -3.260
106 HA GLU 15 HA GLU 15 -2.050 5.530 -2.655
107 HB2 GLU 15 HB2 GLU 15 -2.807 2.612 -2.529
108 HB3 GLU 15 HB1 GLU 15 -1.410 3.353 -1.777
109 HG2 GLU 15 HG2 GLU 15 -2.906 4.658 -0.339
110 HG3 GLU 15 HG1 GLU 15 -4.291 3.848 -1.077
111 H ARG 16 H ARG 16 -0.118 5.282 -3.716
112 HA ARG 16 HA ARG 16 -0.266 4.289 -6.432
113 HB2 ARG 16 HB2 ARG 16 0.942 6.392 -5.904
114 HB3 ARG 16 HB1 ARG 16 2.075 5.478 -4.921
115 HG2 ARG 16 HG2 ARG 16 3.048 5.973 -7.073
116 HG3 ARG 16 HG1 ARG 16 2.786 4.235 -6.918
117 HD2 ARG 16 HD2 ARG 16 0.815 4.355 -8.291
118 HD3 ARG 16 HD1 ARG 16 0.894 6.114 -8.327
119 HE ARG 16 HE ARG 16 2.378 5.961 -10.042
120 HH11 ARG 16 HH11 ARG 16 2.349 2.863 -8.397
121 HH12 ARG 16 HH12 ARG 16 3.447 2.120 -9.507
122 HH21 ARG 16 HH21 ARG 16 3.828 4.973 -11.511
123 HH22 ARG 16 HH22 ARG 16 4.290 3.320 -11.279
124 H VAL 17 H VAL 17 -0.381 2.105 -6.404
125 HA VAL 17 HA VAL 17 0.951 0.383 -4.644
126 HB VAL 17 HB VAL 17 0.109 -0.255 -7.478
127 HG11 VAL 17 HG11 VAL 17 0.121 -2.161 -5.170
128 HG12 VAL 17 HG21 VAL 17 1.585 -1.867 -6.108
129 HG13 VAL 17 3HG1 VAL 17 0.142 -2.503 -6.900
130 HG21 VAL 17 HG12 VAL 17 -1.711 -1.051 -5.349
131 HG22 VAL 17 HG22 VAL 17 -2.045 -0.251 -6.885
132 HG23 VAL 17 HG23 VAL 17 -1.536 0.698 -5.488
133 H ARG 18 H ARG 18 3.005 -0.293 -4.540
134 HA ARG 18 HA ARG 18 4.826 0.529 -6.680
135 HB2 ARG 18 HB2 ARG 18 5.344 1.092 -4.279
136 HB3 ARG 18 HB1 ARG 18 5.545 -0.630 -3.981
137 HG2 ARG 18 HG2 ARG 18 7.314 -0.655 -5.737
138 HG3 ARG 18 HG1 ARG 18 7.181 1.100 -5.820
139 HD2 ARG 18 HD2 ARG 18 7.940 -0.516 -3.390
140 HD3 ARG 18 HD1 ARG 18 9.041 0.420 -4.399
141 HE ARG 18 HE ARG 18 6.967 2.069 -3.392
142 HH11 ARG 18 HH11 ARG 18 9.933 0.473 -2.453
143 HH12 ARG 18 HH12 ARG 18 10.261 1.561 -1.146
144 HH21 ARG 18 HH21 ARG 18 7.389 3.512 -1.657
145 HH22 ARG 18 HH22 ARG 18 8.811 3.288 -0.692
146 H GLY 19 H GLY 19 3.724 -2.294 -4.904
147 HA2 GLY 19 HA2 GLY 19 3.850 -4.094 -6.976
148 HA3 GLY 19 HA1 GLY 19 5.439 -4.154 -6.224
149 H THR 20 H THR 20 5.051 -6.326 -5.581
150 HA THR 20 HA THR 20 2.891 -6.816 -3.706
151 HB THR 20 HB THR 20 3.957 -9.145 -3.652
152 HG1 THR 20 HG1 THR 20 5.990 -8.539 -4.525
153 HG21 THR 20 HG12 THR 20 2.721 -7.904 -6.095
154 HG22 THR 20 HG22 THR 20 1.969 -8.937 -4.880
155 HG23 THR 20 HG23 THR 20 3.110 -9.624 -6.035
156 H CYS 21 H CYS 21 3.124 -7.185 -1.554
157 HA CYS 21 HA CYS 21 5.677 -6.377 -0.383
158 HB2 CYS 21 HB2 CYS 21 3.711 -5.226 0.454
159 HB3 CYS 21 HB1 CYS 21 2.935 -6.757 0.837
160 H GLY 22 H GLY 22 3.355 -9.036 -0.333
161 HA2 GLY 22 HA2 GLY 22 5.233 -11.065 -0.124
162 HA3 GLY 22 HA1 GLY 22 4.753 -10.655 1.519
163 H ILE 23 H ILE 23 3.783 -12.707 1.798
164 HA ILE 23 HA ILE 23 1.858 -13.814 0.099
165 HB ILE 23 HB ILE 23 1.044 -15.035 2.162
166 HG12 ILE 23 HG21 ILE 23 3.381 -13.603 3.454
167 HG13 ILE 23 HG11 ILE 23 1.686 -13.282 3.802
168 HG21 ILE 23 HG12 ILE 23 3.733 -15.112 0.964
169 HG22 ILE 23 HG22 ILE 23 2.502 -16.369 1.080
170 HG23 ILE 23 HG23 ILE 23 3.534 -16.016 2.466
171 HD11 ILE 23 HD11 ILE 23 2.048 -16.041 4.150
172 HD12 ILE 23 HD12 ILE 23 1.781 -14.814 5.390
173 HD13 ILE 23 HD13 ILE 23 3.425 -15.252 4.920
174 H ARG 24 H ARG 24 0.026 -13.011 -0.498
175 HA ARG 24 HA ARG 24 -1.830 -11.755 -0.680
176 HB2 ARG 24 HB2 ARG 24 -3.520 -12.053 0.982
177 HB3 ARG 24 HB1 ARG 24 -2.616 -13.550 0.849
178 HG2 ARG 24 HG2 ARG 24 -1.401 -12.996 2.899
179 HG3 ARG 24 HG1 ARG 24 -2.315 -11.491 3.028
180 HD2 ARG 24 HD2 ARG 24 -3.486 -14.271 3.056
181 HD3 ARG 24 HD1 ARG 24 -3.227 -13.254 4.473
182 HE ARG 24 HE ARG 24 -4.787 -11.823 2.647
183 HH11 ARG 24 HH11 ARG 24 -5.024 -14.659 4.675
184 HH12 ARG 24 HH12 ARG 24 -6.738 -14.533 4.887
185 HH21 ARG 24 HH21 ARG 24 -7.059 -11.641 2.919
186 HH22 ARG 24 HH22 ARG 24 -7.902 -12.809 3.883
187 H PHE 25 H PHE 25 0.574 -10.313 0.103
188 HA PHE 25 HA PHE 25 -0.722 -7.986 1.374
189 HB2 PHE 25 HB2 PHE 25 2.052 -9.066 1.751
190 HB3 PHE 25 HB1 PHE 25 1.737 -7.345 1.932
191 HD1 PHE 25 HD2 PHE 25 -0.653 -9.969 2.951
192 HD2 PHE 25 HD1 PHE 25 2.316 -7.198 4.213
193 HE1 PHE 25 HE2 PHE 25 -1.316 -10.332 5.290
194 HE2 PHE 25 HE1 PHE 25 1.659 -7.556 6.556
195 HZ PHE 25 HZ PHE 25 -0.160 -9.125 7.098
196 H LEU 26 H LEU 26 -0.518 -6.076 0.387
197 HA LEU 26 HA LEU 26 1.027 -6.004 -2.128
198 HB2 LEU 26 HB2 LEU 26 -1.509 -5.984 -2.298
199 HB3 LEU 26 HB1 LEU 26 -1.467 -4.418 -1.516
200 HG LEU 26 HG LEU 26 -0.094 -3.557 -3.404
201 HD11 LEU 26 HD11 LEU 26 -0.854 -5.873 -5.079
202 HD12 LEU 26 HD12 LEU 26 0.497 -6.102 -3.969
203 HD13 LEU 26 HD13 LEU 26 0.554 -4.815 -5.173
204 HD21 LEU 26 HD21 LEU 26 -2.497 -4.679 -4.707
205 HD22 LEU 26 HD22 LEU 26 -1.943 -3.009 -4.589
206 HD23 LEU 26 HD23 LEU 26 -2.756 -3.767 -3.221
207 H TYR 27 H TYR 27 2.493 -4.369 -2.333
208 HA TYR 27 HA TYR 27 2.743 -2.543 -0.061
209 HB2 TYR 27 HB2 TYR 27 4.682 -3.926 -1.016
210 HB3 TYR 27 HB1 TYR 27 4.655 -2.808 -2.375
211 HD1 TYR 27 HD2 TYR 27 4.091 -1.950 1.191
212 HD2 TYR 27 HD1 TYR 27 6.744 -1.766 -2.129
213 HE1 TYR 27 HE2 TYR 27 5.538 -0.402 2.440
214 HE2 TYR 27 HE1 TYR 27 8.196 -0.222 -0.889
215 HH TYR 27 HH TYR 27 7.637 0.529 2.485
216 H CYS 28 H CYS 28 1.942 -0.541 -0.186
217 HA CYS 28 HA CYS 28 1.847 0.759 -2.821
218 HB2 CYS 28 HB2 CYS 28 -0.433 0.752 -0.837
219 HB3 CYS 28 HB1 CYS 28 -0.416 1.542 -2.410
220 H CYS 29 H CYS 29 1.742 3.036 -2.781
221 HA CYS 29 HA CYS 29 2.544 4.263 -0.225
222 HB2 CYS 29 HB2 CYS 29 3.549 4.935 -3.003
223 HB3 CYS 29 HB1 CYS 29 3.977 5.798 -1.530
224 HA PRO 30 HA PRO 30 -1.323 6.292 -1.602
225 HB2 PRO 30 HB2 PRO 30 -1.949 7.227 0.892
226 HB3 PRO 30 HB1 PRO 30 -2.406 5.634 0.273
227 HG2 PRO 30 HG2 PRO 30 -0.140 6.391 2.075
228 HG3 PRO 30 HG1 PRO 30 -1.218 4.985 2.160
229 HD2 PRO 30 HD2 PRO 30 1.287 4.821 1.169
230 HD3 PRO 30 HD1 PRO 30 -0.046 3.831 0.540
231 H ARG 31 H ARG 31 -1.600 8.309 -2.233
232 HA ARG 31 HA ARG 31 0.514 10.193 -1.955
233 HB2 ARG 31 HB2 ARG 31 -0.612 10.199 -4.025
234 HB3 ARG 31 HB1 ARG 31 -2.193 10.238 -3.267
235 HG2 ARG 31 HG2 ARG 31 -1.526 12.345 -4.403
236 HG3 ARG 31 HG1 ARG 31 -1.959 12.536 -2.707
237 HD2 ARG 31 HD2 ARG 31 0.869 12.037 -3.001
238 HD3 ARG 31 HD1 ARG 31 0.367 13.425 -3.969
239 HE ARG 31 HE ARG 31 -0.803 13.611 -1.408
240 HH11 ARG 31 HH11 ARG 31 2.345 13.898 -2.938
241 HH12 ARG 31 HH12 ARG 31 2.962 14.975 -1.732
242 HH21 ARG 31 HH21 ARG 31 -0.017 14.988 0.153
243 HH22 ARG 31 HH22 ARG 31 1.604 15.604 0.051
244 H ARG 32 H ARG 32 -2.934 10.610 -1.178
245 HA ARG 32 HA ARG 32 -4.007 12.004 0.248
246 HB2 ARG 32 HB2 ARG 32 -3.618 11.574 2.582
247 HB3 ARG 32 HB1 ARG 32 -3.442 10.073 1.690
248 HG2 ARG 32 HG2 ARG 32 -1.075 10.126 1.911
249 HG3 ARG 32 HG1 ARG 32 -1.114 11.770 2.550
250 HD2 ARG 32 HD2 ARG 32 -2.147 9.267 3.871
251 HD3 ARG 32 HD1 ARG 32 -0.770 10.245 4.370
252 HE ARG 32 HE ARG 32 -3.425 10.625 5.152
253 HH11 ARG 32 HH11 ARG 32 -0.749 12.567 3.991
254 HH12 ARG 32 HH12 ARG 32 -1.273 14.000 4.802
255 HH21 ARG 32 HH21 ARG 32 -4.100 12.517 6.242
256 HH22 ARG 32 HH22 ARG 32 -3.172 13.970 6.094
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 3.021 14.296 3.322
2 H2 GLY 1 HT2 GLY 1 3.619 12.802 3.836
3 H3 GLY 1 HT3 GLY 1 2.617 12.887 2.473
4 HA2 GLY 1 HA1 GLY 1 4.272 14.037 1.226
5 HA3 GLY 1 HA2 GLY 1 5.288 14.171 2.656
6 H LEU 2 H LEU 2 3.444 11.518 1.194
7 HA LEU 2 HA LEU 2 4.035 9.494 0.373
8 HB2 LEU 2 HB2 LEU 2 5.911 10.620 -0.777
9 HB3 LEU 2 HB1 LEU 2 6.903 10.398 0.652
10 HG LEU 2 HG LEU 2 6.698 7.940 0.375
11 HD11 LEU 2 HD11 LEU 2 5.492 8.548 -2.312
12 HD12 LEU 2 HD12 LEU 2 4.534 8.087 -0.905
13 HD13 LEU 2 HD13 LEU 2 5.735 6.973 -1.558
14 HD21 LEU 2 HD21 LEU 2 8.493 9.492 -0.693
15 HD22 LEU 2 HD22 LEU 2 7.712 9.043 -2.209
16 HD23 LEU 2 HD23 LEU 2 8.403 7.797 -1.170
17 H LEU 3 H LEU 3 3.909 7.664 1.436
18 HA LEU 3 HA LEU 3 5.611 6.962 3.627
19 HB2 LEU 3 HB2 LEU 3 3.669 8.559 4.470
20 HB3 LEU 3 HB1 LEU 3 2.711 7.098 4.366
21 HG LEU 3 HG LEU 3 3.552 7.534 6.644
22 HD11 LEU 3 HD11 LEU 3 5.094 5.154 6.230
23 HD12 LEU 3 HD12 LEU 3 3.632 5.110 5.243
24 HD13 LEU 3 HD13 LEU 3 3.513 5.348 6.988
25 HD21 LEU 3 HD21 LEU 3 6.242 6.710 6.395
26 HD22 LEU 3 HD22 LEU 3 5.617 8.256 6.969
27 HD23 LEU 3 HD23 LEU 3 5.984 8.034 5.258
28 H CYS 4 H CYS 4 5.895 5.337 1.967
29 HA CYS 4 HA CYS 4 3.859 3.681 1.008
30 HB2 CYS 4 HB2 CYS 4 6.730 2.868 1.464
31 HB3 CYS 4 HB1 CYS 4 5.596 2.182 0.305
32 H TYR 5 H TYR 5 2.947 1.817 1.711
33 HA TYR 5 HA TYR 5 3.946 0.504 4.090
34 HB2 TYR 5 HB2 TYR 5 1.757 0.601 5.258
35 HB3 TYR 5 HB1 TYR 5 2.538 2.167 5.123
36 HD1 TYR 5 HD2 TYR 5 0.026 0.089 3.254
37 HD2 TYR 5 HD1 TYR 5 1.222 3.958 4.559
38 HE1 TYR 5 HE2 TYR 5 -2.049 1.035 2.334
39 HE2 TYR 5 HE1 TYR 5 -0.853 4.911 3.652
40 HH TYR 5 HH TYR 5 -2.971 3.135 1.600
41 H CYS 6 H CYS 6 2.906 -1.551 4.484
42 HA CYS 6 HA CYS 6 2.207 -2.817 1.983
43 HB2 CYS 6 HB2 CYS 6 2.618 -3.975 4.744
44 HB3 CYS 6 HB1 CYS 6 2.380 -4.914 3.275
45 H GLY 7 H GLY 7 0.195 -2.927 1.315
46 HA2 GLY 7 HA2 GLY 7 -2.022 -2.661 3.170
47 HA3 GLY 7 HA1 GLY 7 -2.124 -2.734 1.414
48 H LYS 8 H LYS 8 -3.344 -4.245 3.817
49 HA LYS 8 HA LYS 8 -2.573 -6.972 3.236
50 HB2 LYS 8 HB2 LYS 8 -4.404 -7.475 4.951
51 HB3 LYS 8 HB1 LYS 8 -2.982 -6.616 5.526
52 HG2 LYS 8 HG2 LYS 8 -4.190 -4.513 5.452
53 HG3 LYS 8 HG1 LYS 8 -5.610 -5.333 4.801
54 HD2 LYS 8 HD2 LYS 8 -4.359 -5.941 7.479
55 HD3 LYS 8 HD1 LYS 8 -5.746 -4.877 7.242
56 HE2 LYS 8 HE2 LYS 8 -5.619 -7.801 6.511
57 HE3 LYS 8 HE1 LYS 8 -6.436 -7.127 7.920
58 HZ1 LYS 8 HZ1 LYS 8 -7.110 -6.459 5.106
59 HZ2 LYS 8 HZ2 LYS 8 -7.945 -5.957 6.490
60 HZ3 LYS 8 HZ3 LYS 8 -7.945 -7.590 6.049
61 H GLY 9 H GLY 9 -3.376 -7.976 1.545
62 HA2 GLY 9 HA2 GLY 9 -5.014 -8.920 0.196
63 HA3 GLY 9 HA1 GLY 9 -6.227 -7.968 1.039
64 H HIS 10 H HIS 10 -5.339 -5.417 0.682
65 HA HIS 10 HA HIS 10 -4.460 -4.672 -1.843
66 HB2 HIS 10 HB2 HIS 10 -6.637 -3.882 -2.861
67 HB3 HIS 10 HB1 HIS 10 -6.379 -5.619 -2.891
68 HD1 HIS 10 HD1 HIS 10 -8.018 -3.269 -0.360
69 HD2 HIS 10 HD2 HIS 10 -8.708 -6.841 -2.371
70 HE1 HIS 10 HE1 HIS 10 -10.290 -4.047 0.401
71 HE2 HIS 10 HE2 HIS 10 -10.731 -6.149 -0.916
72 H CYS 11 H CYS 11 -4.110 -2.521 -1.906
73 HA CYS 11 HA CYS 11 -4.656 -1.029 0.492
74 HB2 CYS 11 HB2 CYS 11 -3.300 -0.125 -2.058
75 HB3 CYS 11 HB1 CYS 11 -3.201 0.651 -0.479
76 H LYS 12 H LYS 12 -4.789 1.579 -0.818
77 HA LYS 12 HA LYS 12 -7.630 1.523 -1.586
78 HB2 LYS 12 HB2 LYS 12 -6.001 3.865 -0.582
79 HB3 LYS 12 HB1 LYS 12 -7.735 3.839 -0.857
80 HG2 LYS 12 HG2 LYS 12 -6.563 1.906 1.080
81 HG3 LYS 12 HG1 LYS 12 -6.728 3.597 1.551
82 HD2 LYS 12 HD2 LYS 12 -8.690 2.478 2.287
83 HD3 LYS 12 HD1 LYS 12 -9.146 3.442 0.883
84 HE2 LYS 12 HE2 LYS 12 -9.023 1.450 -0.527
85 HE3 LYS 12 HE1 LYS 12 -8.545 0.486 0.871
86 HZ1 LYS 12 HZ1 LYS 12 -10.640 0.741 1.846
87 HZ2 LYS 12 HZ2 LYS 12 -10.975 0.432 0.217
88 HZ3 LYS 12 HZ3 LYS 12 -11.080 2.009 0.816
89 H ARG 13 H ARG 13 -8.344 2.860 -3.292
90 HA ARG 13 HA ARG 13 -6.665 2.885 -5.578
91 HB2 ARG 13 HB2 ARG 13 -9.145 2.583 -5.636
92 HB3 ARG 13 HB1 ARG 13 -9.326 4.276 -5.202
93 HG2 ARG 13 HG2 ARG 13 -8.134 4.899 -7.274
94 HG3 ARG 13 HG1 ARG 13 -8.069 3.192 -7.715
95 HD2 ARG 13 HD2 ARG 13 -10.609 4.733 -7.202
96 HD3 ARG 13 HD1 ARG 13 -9.923 4.447 -8.800
97 HE ARG 13 HE ARG 13 -10.217 1.978 -7.518
98 HH11 ARG 13 HH11 ARG 13 -12.210 4.552 -8.788
99 HH12 ARG 13 HH12 ARG 13 -13.540 3.513 -9.183
100 HH21 ARG 13 HH21 ARG 13 -11.971 0.585 -8.041
101 HH22 ARG 13 HH22 ARG 13 -13.401 1.249 -8.756
102 H GLY 14 H GLY 14 -5.057 4.145 -4.232
103 HA2 GLY 14 HA2 GLY 14 -4.917 6.819 -5.268
104 HA3 GLY 14 HA1 GLY 14 -5.121 6.758 -3.518
105 H GLU 15 H GLU 15 -3.681 4.296 -3.131
106 HA GLU 15 HA GLU 15 -1.012 5.409 -3.149
107 HB2 GLU 15 HB2 GLU 15 -1.918 2.673 -2.246
108 HB3 GLU 15 HB1 GLU 15 -0.352 3.395 -1.931
109 HG2 GLU 15 HG2 GLU 15 -1.375 3.804 0.040
110 HG3 GLU 15 HG1 GLU 15 -1.832 5.266 -0.833
111 H ARG 16 H ARG 16 0.697 4.791 -4.388
112 HA ARG 16 HA ARG 16 0.048 3.285 -6.785
113 HB2 ARG 16 HB2 ARG 16 2.467 4.867 -5.928
114 HB3 ARG 16 HB1 ARG 16 2.484 3.861 -7.368
115 HG2 ARG 16 HG2 ARG 16 2.012 6.022 -8.127
116 HG3 ARG 16 HG1 ARG 16 0.462 5.183 -8.140
117 HD2 ARG 16 HD2 ARG 16 -0.043 6.203 -5.928
118 HD3 ARG 16 HD1 ARG 16 1.453 7.128 -6.058
119 HE ARG 16 HE ARG 16 0.415 8.547 -7.514
120 HH11 ARG 16 HH11 ARG 16 -1.551 5.671 -7.166
121 HH12 ARG 16 HH12 ARG 16 -2.825 6.258 -8.179
122 HH21 ARG 16 HH21 ARG 16 -1.273 9.332 -8.854
123 HH22 ARG 16 HH22 ARG 16 -2.667 8.346 -9.140
124 H VAL 17 H VAL 17 0.546 1.210 -7.103
125 HA VAL 17 HA VAL 17 1.619 -0.340 -4.989
126 HB VAL 17 HB VAL 17 -0.028 -1.307 -6.481
127 HG11 VAL 17 HG11 VAL 17 0.226 -1.653 -8.766
128 HG12 VAL 17 HG21 VAL 17 1.973 -1.421 -8.707
129 HG13 VAL 17 3HG1 VAL 17 0.894 -0.039 -8.518
130 HG21 VAL 17 HG12 VAL 17 0.948 -3.174 -5.745
131 HG22 VAL 17 HG22 VAL 17 2.571 -2.531 -5.999
132 HG23 VAL 17 HG23 VAL 17 1.694 -3.265 -7.341
133 H ARG 18 H ARG 18 3.625 -0.866 -4.534
134 HA ARG 18 HA ARG 18 5.736 -0.097 -6.423
135 HB2 ARG 18 HB2 ARG 18 5.743 0.906 -4.133
136 HB3 ARG 18 HB1 ARG 18 5.961 -0.706 -3.469
137 HG2 ARG 18 HG2 ARG 18 8.069 0.477 -3.553
138 HG3 ARG 18 HG1 ARG 18 8.092 -0.903 -4.653
139 HD2 ARG 18 HD2 ARG 18 7.653 0.571 -6.540
140 HD3 ARG 18 HD1 ARG 18 7.557 1.957 -5.455
141 HE ARG 18 HE ARG 18 9.915 0.768 -6.512
142 HH11 ARG 18 HH11 ARG 18 8.655 2.451 -3.710
143 HH12 ARG 18 HH12 ARG 18 10.207 3.010 -3.183
144 HH21 ARG 18 HH21 ARG 18 11.971 1.511 -5.825
145 HH22 ARG 18 HH22 ARG 18 12.099 2.476 -4.392
146 H GLY 19 H GLY 19 4.446 -2.746 -4.547
147 HA2 GLY 19 HA2 GLY 19 5.256 -4.779 -6.214
148 HA3 GLY 19 HA1 GLY 19 6.564 -4.585 -5.053
149 H THR 20 H THR 20 6.148 -6.663 -4.183
150 HA THR 20 HA THR 20 3.678 -6.805 -2.586
151 HB THR 20 HB THR 20 4.149 -9.317 -2.586
152 HG1 THR 20 HG1 THR 20 6.268 -9.224 -3.440
153 HG21 THR 20 HG12 THR 20 3.329 -9.430 -5.104
154 HG22 THR 20 HG22 THR 20 3.149 -7.691 -4.872
155 HG23 THR 20 HG23 THR 20 2.285 -8.814 -3.823
156 H CYS 21 H CYS 21 3.832 -7.262 -0.442
157 HA CYS 21 HA CYS 21 6.506 -7.083 0.717
158 HB2 CYS 21 HB2 CYS 21 3.781 -6.955 2.024
159 HB3 CYS 21 HB1 CYS 21 5.316 -6.736 2.859
160 H GLY 22 H GLY 22 3.721 -9.233 0.607
161 HA2 GLY 22 HA2 GLY 22 5.230 -11.562 0.914
162 HA3 GLY 22 HA1 GLY 22 4.621 -11.108 2.501
163 H ILE 23 H ILE 23 3.360 -13.009 2.561
164 HA ILE 23 HA ILE 23 1.514 -13.766 0.612
165 HB ILE 23 HB ILE 23 0.324 -14.958 2.494
166 HG12 ILE 23 HG21 ILE 23 2.672 -13.925 4.106
167 HG13 ILE 23 HG11 ILE 23 1.003 -13.402 4.304
168 HG21 ILE 23 HG12 ILE 23 1.873 -16.175 1.200
169 HG22 ILE 23 HG22 ILE 23 2.286 -16.512 2.882
170 HG23 ILE 23 HG23 ILE 23 3.251 -15.367 1.948
171 HD11 ILE 23 HD11 ILE 23 0.347 -15.515 5.131
172 HD12 ILE 23 HD12 ILE 23 1.841 -15.088 5.965
173 HD13 ILE 23 HD13 ILE 23 1.871 -16.256 4.645
174 H ARG 24 H ARG 24 -0.067 -12.660 -0.151
175 HA ARG 24 HA ARG 24 -1.889 -11.353 -0.404
176 HB2 ARG 24 HB2 ARG 24 -2.364 -11.896 2.529
177 HB3 ARG 24 HB1 ARG 24 -3.555 -11.317 1.372
178 HG2 ARG 24 HG2 ARG 24 -3.339 -13.420 0.122
179 HG3 ARG 24 HG1 ARG 24 -2.185 -13.999 1.324
180 HD2 ARG 24 HD2 ARG 24 -4.309 -14.930 1.865
181 HD3 ARG 24 HD1 ARG 24 -3.959 -13.679 3.057
182 HE ARG 24 HE ARG 24 -5.438 -12.534 0.972
183 HH11 ARG 24 HH11 ARG 24 -5.833 -14.817 3.587
184 HH12 ARG 24 HH12 ARG 24 -7.537 -14.547 3.747
185 HH21 ARG 24 HH21 ARG 24 -7.694 -12.166 1.170
186 HH22 ARG 24 HH22 ARG 24 -8.600 -13.034 2.366
187 H PHE 25 H PHE 25 0.683 -10.106 0.456
188 HA PHE 25 HA PHE 25 -0.508 -7.582 1.396
189 HB2 PHE 25 HB2 PHE 25 1.986 -8.897 2.409
190 HB3 PHE 25 HB1 PHE 25 1.852 -7.142 2.389
191 HD1 PHE 25 HD1 PHE 25 -0.269 -10.048 3.431
192 HD2 PHE 25 HD2 PHE 25 1.229 -6.173 4.345
193 HE1 PHE 25 HE1 PHE 25 -1.466 -10.097 5.580
194 HE2 PHE 25 HE2 PHE 25 0.036 -6.215 6.495
195 HZ PHE 25 HZ PHE 25 -1.313 -8.178 7.115
196 H LEU 26 H LEU 26 0.052 -5.809 0.336
197 HA LEU 26 HA LEU 26 2.161 -6.033 -1.713
198 HB2 LEU 26 HB2 LEU 26 -0.597 -4.866 -1.969
199 HB3 LEU 26 HB1 LEU 26 0.703 -4.368 -3.031
200 HG LEU 26 HG LEU 26 0.949 -6.878 -3.575
201 HD11 LEU 26 HD11 LEU 26 -1.933 -6.997 -2.770
202 HD12 LEU 26 HD12 LEU 26 -0.653 -7.465 -1.650
203 HD13 LEU 26 HD13 LEU 26 -0.836 -8.314 -3.185
204 HD21 LEU 26 HD21 LEU 26 -1.630 -5.766 -4.570
205 HD22 LEU 26 HD22 LEU 26 -0.334 -6.575 -5.452
206 HD23 LEU 26 HD23 LEU 26 -0.128 -4.908 -4.915
207 H TYR 27 H TYR 27 3.453 -4.274 -2.026
208 HA TYR 27 HA TYR 27 3.477 -2.326 0.123
209 HB2 TYR 27 HB2 TYR 27 5.512 -3.540 -0.976
210 HB3 TYR 27 HB1 TYR 27 5.347 -2.322 -2.234
211 HD1 TYR 27 HD1 TYR 27 4.886 -1.922 1.437
212 HD2 TYR 27 HD2 TYR 27 7.264 -1.017 -1.971
213 HE1 TYR 27 HE1 TYR 27 6.231 -0.377 2.795
214 HE2 TYR 27 HE2 TYR 27 8.616 0.533 -0.623
215 HH TYR 27 HH TYR 27 8.140 0.838 2.857
216 H CYS 28 H CYS 28 2.450 -0.408 -0.031
217 HA CYS 28 HA CYS 28 1.999 0.684 -2.734
218 HB2 CYS 28 HB2 CYS 28 0.081 0.763 -0.397
219 HB3 CYS 28 HB1 CYS 28 -0.183 1.515 -1.965
220 H CYS 29 H CYS 29 2.443 2.777 -3.041
221 HA CYS 29 HA CYS 29 3.297 4.354 -0.702
222 HB2 CYS 29 HB2 CYS 29 4.121 4.588 -3.607
223 HB3 CYS 29 HB1 CYS 29 4.658 5.661 -2.318
224 HA PRO 30 HA PRO 30 -0.461 6.546 -1.918
225 HB2 PRO 30 HB2 PRO 30 -0.886 7.764 0.435
226 HB3 PRO 30 HB1 PRO 30 -1.243 6.049 0.168
227 HG2 PRO 30 HG2 PRO 30 1.135 7.305 1.492
228 HG3 PRO 30 HG1 PRO 30 0.183 5.898 2.004
229 HD2 PRO 30 HD2 PRO 30 2.568 5.701 0.691
230 HD3 PRO 30 HD1 PRO 30 1.288 4.478 0.579
231 H ARG 31 H ARG 31 -0.918 8.557 -2.552
232 HA ARG 31 HA ARG 31 1.266 10.469 -2.617
233 HB2 ARG 31 HB2 ARG 31 -0.677 11.697 -4.031
234 HB3 ARG 31 HB1 ARG 31 0.453 10.546 -4.723
235 HG2 ARG 31 HG2 ARG 31 -1.703 9.972 -5.506
236 HG3 ARG 31 HG1 ARG 31 -1.252 8.758 -4.312
237 HD2 ARG 31 HD2 ARG 31 -3.565 9.388 -4.011
238 HD3 ARG 31 HD1 ARG 31 -2.613 9.938 -2.633
239 HE ARG 31 HE ARG 31 -2.674 12.075 -4.342
240 HH11 ARG 31 HH11 ARG 31 -5.083 10.090 -2.765
241 HH12 ARG 31 HH12 ARG 31 -6.242 11.369 -2.628
242 HH21 ARG 31 HH21 ARG 31 -4.197 13.780 -4.160
243 HH22 ARG 31 HH22 ARG 31 -5.735 13.477 -3.425
244 H ARG 32 H ARG 32 0.691 10.459 -0.133
245 HA ARG 32 HA ARG 32 -0.916 12.879 0.319
246 HB2 ARG 32 HB2 ARG 32 -2.123 10.773 1.033
247 HB3 ARG 32 HB1 ARG 32 -0.837 10.512 2.201
248 HG2 ARG 32 HG2 ARG 32 -2.645 11.499 3.363
249 HG3 ARG 32 HG1 ARG 32 -1.407 12.743 3.194
250 HD2 ARG 32 HD2 ARG 32 -3.739 12.466 1.307
251 HD3 ARG 32 HD1 ARG 32 -3.785 13.475 2.750
252 HE ARG 32 HE ARG 32 -2.483 14.059 0.263
253 HH11 ARG 32 HH11 ARG 32 -2.458 14.706 3.700
254 HH12 ARG 32 HH12 ARG 32 -1.585 16.192 3.549
255 HH21 ARG 32 HH21 ARG 32 -1.329 16.023 0.054
256 HH22 ARG 32 HH22 ARG 32 -0.943 16.945 1.465
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