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 |
|
|
602011 |
2n1p   |
25570 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA HIS 1 HA HIS 1 -25.046 -2.854 6.536
2 HB2 HIS 1 HB2 HIS 1 -24.481 -5.236 8.048
3 HB3 HIS 1 HB3 HIS 1 -23.043 -4.807 7.121
4 HD1 HIS 1 HD1 HIS 1 -25.372 -3.459 9.766
5 HD2 HIS 1 HD2 HIS 1 -21.779 -2.410 7.928
6 HE1 HIS 1 HE1 HIS 1 -24.425 -1.522 11.094
7 H SER 2 HN SER 2 -23.623 -2.259 4.878
8 HA SER 2 HA SER 2 -23.197 -4.277 2.699
9 HB2 SER 2 HB2 SER 2 -23.448 -1.256 2.749
10 HB3 SER 2 HB3 SER 2 -22.969 -2.153 1.311
11 HG SER 2 HG SER 2 -25.208 -1.831 1.327
12 H VAL 3 HN VAL 3 -21.396 -4.489 4.756
13 HA VAL 3 HA VAL 3 -19.097 -4.459 5.259
14 HB VAL 3 HB VAL 3 -18.925 -3.672 2.327
15 HG11 VAL 3 HG11 VAL 3 -16.995 -4.754 4.356
16 HG12 VAL 3 HG12 VAL 3 -16.735 -3.539 3.103
17 HG13 VAL 3 HG13 VAL 3 -16.823 -5.246 2.671
18 HG21 VAL 3 HG21 VAL 3 -18.846 -6.106 1.896
19 HG22 VAL 3 HG22 VAL 3 -20.368 -5.657 2.666
20 HG23 VAL 3 HG23 VAL 3 -19.091 -6.421 3.613
21 H SER 4 HN SER 4 -20.367 -2.149 6.083
22 HA SER 4 HA SER 4 -18.854 0.194 5.103
23 HB2 SER 4 HB2 SER 4 -21.308 -0.391 6.565
24 HB3 SER 4 HB3 SER 4 -20.383 0.895 7.336
25 HG SER 4 HG SER 4 -21.147 2.110 5.810
26 H HIS 5 HN HIS 5 -19.067 -1.852 7.956
27 HA HIS 5 HA HIS 5 -16.723 -0.415 9.155
28 HB2 HIS 5 HB2 HIS 5 -19.083 -1.936 10.280
29 HB3 HIS 5 HB3 HIS 5 -17.657 -1.599 11.260
30 HD1 HIS 5 HD1 HIS 5 -16.967 1.072 11.313
31 HD2 HIS 5 HD2 HIS 5 -20.886 0.162 10.223
32 HE1 HIS 5 HE1 HIS 5 -18.299 3.208 11.583
33 H ALA 6 HN ALA 6 -16.647 -2.579 7.086
34 HA ALA 6 HA ALA 6 -14.903 -4.486 8.571
35 HB1 ALA 6 HB1 ALA 6 -16.063 -6.361 7.415
36 HB2 ALA 6 HB2 ALA 6 -17.190 -5.205 6.703
37 HB3 ALA 6 HB3 ALA 6 -17.167 -5.455 8.449
38 H ARG 7 HN ARG 7 -14.029 -2.375 6.907
39 HA ARG 7 HA ARG 7 -13.434 -3.584 4.250
40 HB2 ARG 7 HB2 ARG 7 -12.928 -0.837 5.451
41 HB3 ARG 7 HB3 ARG 7 -12.615 -1.278 3.773
42 HG2 ARG 7 HG2 ARG 7 -15.319 -2.012 4.563
43 HG3 ARG 7 HG3 ARG 7 -15.027 -0.292 4.815
44 HD2 ARG 7 HD2 ARG 7 -14.066 -1.467 2.237
45 HD3 ARG 7 HD3 ARG 7 -15.813 -1.226 2.430
46 HE ARG 7 HE ARG 7 -13.762 0.940 2.644
47 HH11 ARG 7 HH11 ARG 7 -15.602 1.119 0.382
48 HH12 ARG 7 HH12 ARG 7 -16.893 2.107 0.979
49 HH21 ARG 7 HH21 ARG 7 -16.032 1.676 4.318
50 HH22 ARG 7 HH22 ARG 7 -17.136 2.425 3.215
51 HA PRO 8 HA PRO 8 -9.533 -4.793 6.104
52 HB2 PRO 8 HB2 PRO 8 -8.592 -6.163 3.924
53 HB3 PRO 8 HB3 PRO 8 -9.771 -6.836 5.065
54 HG2 PRO 8 HG2 PRO 8 -10.202 -5.685 2.361
55 HG3 PRO 8 HG3 PRO 8 -11.018 -7.036 3.160
56 HD2 PRO 8 HD2 PRO 8 -12.077 -4.517 2.920
57 HD3 PRO 8 HD3 PRO 8 -12.536 -5.681 4.181
58 H ARG 9 HN ARG 9 -8.715 -4.477 2.649
59 HA ARG 9 HA ARG 9 -7.331 -1.894 3.220
60 HB2 ARG 9 HB2 ARG 9 -6.167 -4.519 2.298
61 HB3 ARG 9 HB3 ARG 9 -5.361 -2.992 1.935
62 HG2 ARG 9 HG2 ARG 9 -5.853 -2.619 4.567
63 HG3 ARG 9 HG3 ARG 9 -5.708 -4.376 4.545
64 HD2 ARG 9 HD2 ARG 9 -3.576 -3.530 2.952
65 HD3 ARG 9 HD3 ARG 9 -3.610 -2.358 4.285
66 HE ARG 9 HE ARG 9 -3.681 -4.366 5.839
67 HH11 ARG 9 HH11 ARG 9 -3.925 -6.096 3.196
68 HH12 ARG 9 HH12 ARG 9 -2.373 -6.863 3.224
69 HH21 ARG 9 HH21 ARG 9 -1.069 -4.720 5.631
70 HH22 ARG 9 HH22 ARG 9 -0.750 -6.082 4.610
71 H TRP 10 HN TRP 10 -9.726 -2.728 1.562
72 HA TRP 10 HA TRP 10 -9.134 -2.767 -1.228
73 HB2 TRP 10 HB2 TRP 10 -11.324 -3.312 -0.430
74 HB3 TRP 10 HB3 TRP 10 -11.459 -1.796 0.457
75 HD1 TRP 10 HD1 TRP 10 -11.297 -3.090 -3.176
76 HE1 TRP 10 HE1 TRP 10 -12.553 -1.417 -4.683
77 HE3 TRP 10 HE3 TRP 10 -12.401 0.530 0.254
78 HZ2 TRP 10 HZ2 TRP 10 -13.854 1.123 -4.462
79 HZ3 TRP 10 HZ3 TRP 10 -13.648 2.563 -0.421
80 HH2 TRP 10 HH2 TRP 10 -14.374 2.863 -2.771
81 H PHE 11 HN PHE 11 -9.771 -0.017 0.969
82 HA PHE 11 HA PHE 11 -9.192 1.960 -1.145
83 HB2 PHE 11 HB2 PHE 11 -10.967 2.140 0.657
84 HB3 PHE 11 HB3 PHE 11 -9.664 2.313 1.833
85 HD1 PHE 11 HD2 PHE 11 -11.186 3.836 -1.207
86 HD2 PHE 11 HD1 PHE 11 -8.514 4.378 2.112
87 HE1 PHE 11 HE2 PHE 11 -11.036 6.257 -1.722
88 HE2 PHE 11 HE1 PHE 11 -8.365 6.798 1.598
89 HZ PHE 11 HZ PHE 11 -9.626 7.739 -0.320
90 H TRP 12 HN TRP 12 -7.382 0.178 1.184
91 HA TRP 12 HA TRP 12 -5.252 2.243 1.394
92 HB2 TRP 12 HB2 TRP 12 -5.598 -0.479 2.688
93 HB3 TRP 12 HB3 TRP 12 -4.399 0.732 3.134
94 HD1 TRP 12 HD1 TRP 12 -7.899 -0.314 3.798
95 HE1 TRP 12 HE1 TRP 12 -9.084 1.407 5.302
96 HE3 TRP 12 HE3 TRP 12 -4.506 3.497 3.614
97 HZ2 TRP 12 HZ2 TRP 12 -8.649 4.053 6.301
98 HZ3 TRP 12 HZ3 TRP 12 -4.916 5.605 4.850
99 HH2 TRP 12 HH2 TRP 12 -6.981 5.888 6.193
100 H PHE 13 HN PHE 13 -5.950 0.203 -0.982
101 HA PHE 13 HA PHE 13 -3.703 -1.524 -1.315
102 HB2 PHE 13 HB2 PHE 13 -5.605 -1.846 -2.699
103 HB3 PHE 13 HB3 PHE 13 -5.651 -0.146 -3.166
104 HD1 PHE 13 HD2 PHE 13 -3.414 -3.155 -3.363
105 HD2 PHE 13 HD1 PHE 13 -4.701 0.509 -5.201
106 HE1 PHE 13 HE2 PHE 13 -2.012 -3.656 -5.346
107 HE2 PHE 13 HE1 PHE 13 -3.298 0.006 -7.184
108 HZ PHE 13 HZ PHE 13 -1.953 -2.076 -7.256
109 H SER 14 HN SER 14 -4.256 1.743 -2.607
110 HA SER 14 HA SER 14 -1.689 2.102 -3.812
111 HB2 SER 14 HB2 SER 14 -3.944 3.453 -3.915
112 HB3 SER 14 HB3 SER 14 -3.271 4.328 -2.542
113 HG SER 14 HG SER 14 -2.284 4.093 -5.182
114 H LEU 15 HN LEU 15 -2.860 2.581 -0.544
115 HA LEU 15 HA LEU 15 -0.572 3.971 0.529
116 HB2 LEU 15 HB2 LEU 15 -3.074 3.393 1.365
117 HB3 LEU 15 HB3 LEU 15 -2.204 2.108 2.202
118 HG LEU 15 HG LEU 15 -0.611 4.342 2.635
119 HD11 LEU 15 HD11 LEU 15 -3.548 5.086 2.759
120 HD12 LEU 15 HD12 LEU 15 -2.293 5.867 1.796
121 HD13 LEU 15 HD13 LEU 15 -2.270 6.004 3.554
122 HD21 LEU 15 HD21 LEU 15 -1.976 4.247 4.927
123 HD22 LEU 15 HD22 LEU 15 -0.886 2.943 4.460
124 HD23 LEU 15 HD23 LEU 15 -2.622 2.775 4.203
125 H LEU 16 HN LEU 16 -1.477 0.523 0.305
126 HA LEU 16 HA LEU 16 0.754 -0.549 1.753
127 HB2 LEU 16 HB2 LEU 16 -1.491 -1.601 0.986
128 HB3 LEU 16 HB3 LEU 16 -0.680 -1.871 -0.556
129 HG LEU 16 HG LEU 16 0.958 -2.712 1.721
130 HD11 LEU 16 HD11 LEU 16 -1.670 -4.148 1.228
131 HD12 LEU 16 HD12 LEU 16 -1.297 -3.190 2.662
132 HD13 LEU 16 HD13 LEU 16 -0.391 -4.666 2.326
133 HD21 LEU 16 HD21 LEU 16 1.368 -4.591 0.314
134 HD22 LEU 16 HD22 LEU 16 1.177 -3.230 -0.791
135 HD23 LEU 16 HD23 LEU 16 -0.149 -4.369 -0.556
136 H LEU 17 HN LEU 17 0.258 0.166 -1.669
137 HA LEU 17 HA LEU 17 2.709 -0.904 -2.680
138 HB2 LEU 17 HB2 LEU 17 0.506 0.049 -3.796
139 HB3 LEU 17 HB3 LEU 17 1.410 1.563 -3.803
140 HG LEU 17 HG LEU 17 2.938 -0.780 -4.754
141 HD11 LEU 17 HD11 LEU 17 0.523 -1.089 -5.614
142 HD12 LEU 17 HD12 LEU 17 1.813 -1.080 -6.817
143 HD13 LEU 17 HD13 LEU 17 0.818 0.357 -6.579
144 HD21 LEU 17 HD21 LEU 17 3.812 1.505 -4.880
145 HD22 LEU 17 HD22 LEU 17 2.407 2.015 -5.817
146 HD23 LEU 17 HD23 LEU 17 3.565 0.879 -6.510
147 H LEU 18 HN LEU 18 1.896 2.136 -1.149
148 HA LEU 18 HA LEU 18 4.416 3.473 -1.708
149 HB2 LEU 18 HB2 LEU 18 2.037 4.390 -1.099
150 HB3 LEU 18 HB3 LEU 18 2.546 4.106 0.565
151 HG LEU 18 HG LEU 18 4.731 5.396 -0.284
152 HD11 LEU 18 HD11 LEU 18 4.320 7.007 -1.960
153 HD12 LEU 18 HD12 LEU 18 2.573 6.791 -1.865
154 HD13 LEU 18 HD13 LEU 18 3.577 5.542 -2.603
155 HD21 LEU 18 HD21 LEU 18 2.185 6.908 0.362
156 HD22 LEU 18 HD22 LEU 18 3.840 7.376 0.752
157 HD23 LEU 18 HD23 LEU 18 3.097 6.002 1.569
158 H ALA 19 HN ALA 19 3.082 1.578 0.955
159 HA ALA 19 HA ALA 19 5.161 1.996 2.881
160 HB1 ALA 19 HB1 ALA 19 3.615 -0.572 2.490
161 HB2 ALA 19 HB2 ALA 19 2.816 0.895 3.054
162 HB3 ALA 19 HB3 ALA 19 4.118 0.180 4.003
163 H ALA 20 HN ALA 20 4.784 -0.407 0.268
164 HA ALA 20 HA ALA 20 7.117 -1.977 0.839
165 HB1 ALA 20 HB1 ALA 20 6.833 -2.356 -1.760
166 HB2 ALA 20 HB2 ALA 20 5.366 -1.400 -1.541
167 HB3 ALA 20 HB3 ALA 20 5.573 -2.913 -0.658
168 H GLY 21 HN GLY 21 6.625 0.958 -1.135
169 HA2 GLY 21 HA2 GLY 21 9.281 1.076 -2.225
170 HA3 GLY 21 HA3 GLY 21 8.171 2.442 -2.094
171 H VAL 22 HN VAL 22 7.831 2.354 0.763
172 HA VAL 22 HA VAL 22 10.046 3.945 1.647
173 HB VAL 22 HB VAL 22 7.920 2.388 3.167
174 HG11 VAL 22 HG11 VAL 22 8.347 4.053 4.973
175 HG12 VAL 22 HG12 VAL 22 9.709 4.678 4.044
176 HG13 VAL 22 HG13 VAL 22 9.747 3.028 4.664
177 HG21 VAL 22 HG21 VAL 22 7.670 5.300 2.962
178 HG22 VAL 22 HG22 VAL 22 6.474 4.048 2.632
179 HG23 VAL 22 HG23 VAL 22 7.634 4.508 1.387
180 H GLY 23 HN GLY 23 9.255 0.493 2.146
181 HA2 GLY 23 HA2 GLY 23 11.445 -0.104 3.898
182 HA3 GLY 23 HA3 GLY 23 10.574 -1.287 2.921
183 H ILE 24 HN ILE 24 11.112 -0.239 0.344
184 HA ILE 24 HA ILE 24 13.742 -1.321 -0.172
185 HB ILE 24 HB ILE 24 11.780 0.351 -1.788
186 HG12 ILE 24 HG12 ILE 24 10.977 -1.884 -1.132
187 HG13 ILE 24 HG13 ILE 24 11.283 -1.824 -2.866
188 HG21 ILE 24 HG21 ILE 24 13.112 -0.597 -3.764
189 HG22 ILE 24 HG22 ILE 24 14.379 -0.969 -2.596
190 HG23 ILE 24 HG23 ILE 24 13.883 0.703 -2.854
191 HD11 ILE 24 HD11 ILE 24 13.646 -2.725 -2.257
192 HD12 ILE 24 HD12 ILE 24 12.290 -3.851 -2.210
193 HD13 ILE 24 HD13 ILE 24 12.916 -3.161 -0.713
194 H TYR 25 HN TYR 25 12.502 2.009 0.228
195 HA TYR 25 HA TYR 25 14.891 3.377 -0.613
196 HB2 TYR 25 HB2 TYR 25 12.454 4.201 -0.101
197 HB3 TYR 25 HB3 TYR 25 13.045 4.364 1.554
198 HD1 TYR 25 HD2 TYR 25 14.837 5.950 2.111
199 HD2 TYR 25 HD1 TYR 25 13.324 5.606 -1.896
200 HE1 TYR 25 HE2 TYR 25 15.936 8.090 1.510
201 HE2 TYR 25 HE1 TYR 25 14.425 7.745 -2.496
202 HH TYR 25 HH TYR 25 15.237 9.957 -0.714
203 H LEU 26 HN LEU 26 13.982 1.743 2.361
204 HA LEU 26 HA LEU 26 16.149 2.871 3.979
205 HB2 LEU 26 HB2 LEU 26 13.883 0.996 4.219
206 HB3 LEU 26 HB3 LEU 26 15.288 0.517 5.166
207 HG LEU 26 HG LEU 26 13.802 1.955 6.497
208 HD11 LEU 26 HD11 LEU 26 15.488 3.267 7.411
209 HD12 LEU 26 HD12 LEU 26 16.131 3.724 5.834
210 HD13 LEU 26 HD13 LEU 26 16.438 2.110 6.477
211 HD21 LEU 26 HD21 LEU 26 14.296 3.961 4.273
212 HD22 LEU 26 HD22 LEU 26 13.545 4.356 5.819
213 HD23 LEU 26 HD23 LEU 26 12.750 3.236 4.712
214 H LEU 27 HN LEU 27 15.692 0.200 1.762
215 HA LEU 27 HA LEU 27 18.523 -0.670 2.226
216 HB2 LEU 27 HB2 LEU 27 16.452 -2.048 3.162
217 HB3 LEU 27 HB3 LEU 27 16.343 -2.600 1.489
218 HG LEU 27 HG LEU 27 18.982 -2.929 1.845
219 HD11 LEU 27 HD11 LEU 27 19.427 -3.759 4.121
220 HD12 LEU 27 HD12 LEU 27 17.783 -3.337 4.603
221 HD13 LEU 27 HD13 LEU 27 18.926 -2.068 4.162
222 HD21 LEU 27 HD21 LEU 27 17.233 -4.640 1.220
223 HD22 LEU 27 HD22 LEU 27 16.956 -4.902 2.942
224 HD23 LEU 27 HD23 LEU 27 18.528 -5.275 2.234
225 HA PRO 28 HA PRO 28 17.462 -0.251 -2.304
226 HB2 PRO 28 HB2 PRO 28 18.249 2.314 -2.850
227 HB3 PRO 28 HB3 PRO 28 16.613 1.891 -2.310
228 HG2 PRO 28 HG2 PRO 28 18.707 3.307 -0.876
229 HG3 PRO 28 HG3 PRO 28 16.992 3.157 -0.499
230 HD2 PRO 28 HD2 PRO 28 19.230 1.702 0.638
231 HD3 PRO 28 HD3 PRO 28 17.538 1.721 1.150
232 H ASN 29 HN ASN 29 20.287 0.607 -0.426
233 HA ASN 29 HA ASN 29 22.068 0.257 -2.800
234 HB2 ASN 29 HB2 ASN 29 23.766 1.281 -1.312
235 HB3 ASN 29 HB3 ASN 29 22.325 2.287 -1.427
236 HD21 ASN 29 HD21 ASN 29 21.142 2.688 0.511
237 HD22 ASN 29 HD22 ASN 29 21.574 2.038 2.019
238 H ARG 30 HN ARG 30 20.793 -1.619 -0.296
239 HA ARG 30 HA ARG 30 23.055 -3.562 -0.543
240 HB2 ARG 30 HB2 ARG 30 21.838 -2.278 1.870
241 HB3 ARG 30 HB3 ARG 30 22.319 -3.969 2.005
242 HG2 ARG 30 HG2 ARG 30 24.442 -2.679 0.666
243 HG3 ARG 30 HG3 ARG 30 23.988 -1.603 1.987
244 HD2 ARG 30 HD2 ARG 30 23.982 -4.324 2.955
245 HD3 ARG 30 HD3 ARG 30 25.537 -3.975 2.174
246 HE ARG 30 HE ARG 30 25.674 -1.927 3.621
247 HH11 ARG 30 HH21 ARG 30 22.705 -2.212 4.443
248 HH12 ARG 30 HH22 ARG 30 22.882 -2.738 6.083
249 HH21 ARG 30 HH11 ARG 30 26.239 -3.570 5.727
250 HH22 ARG 30 HH12 ARG 30 24.892 -3.512 6.813
Start of MODEL 2
1 HA HIS 1 HA HIS 1 -17.747 2.861 0.584
2 HB2 HIS 1 HB2 HIS 1 -20.135 3.588 0.617
3 HB3 HIS 1 HB3 HIS 1 -20.588 1.993 1.214
4 HD1 HIS 1 HD1 HIS 1 -18.607 5.062 2.231
5 HD2 HIS 1 HD2 HIS 1 -20.190 1.614 3.960
6 HE1 HIS 1 HE1 HIS 1 -18.333 5.324 4.735
7 H SER 2 HN SER 2 -16.469 1.685 1.965
8 HA SER 2 HA SER 2 -17.343 -1.069 2.757
9 HB2 SER 2 HB2 SER 2 -14.734 -0.151 1.522
10 HB3 SER 2 HB3 SER 2 -14.900 -1.703 2.339
11 HG SER 2 HG SER 2 -15.309 -1.974 0.150
12 H VAL 3 HN VAL 3 -17.590 1.152 4.450
13 HA VAL 3 HA VAL 3 -15.286 0.840 6.351
14 HB VAL 3 HB VAL 3 -17.262 3.137 6.179
15 HG11 VAL 3 HG11 VAL 3 -14.655 2.609 7.579
16 HG12 VAL 3 HG12 VAL 3 -16.140 3.310 8.220
17 HG13 VAL 3 HG13 VAL 3 -15.099 4.265 7.163
18 HG21 VAL 3 HG21 VAL 3 -15.191 4.266 5.033
19 HG22 VAL 3 HG22 VAL 3 -16.263 3.264 4.056
20 HG23 VAL 3 HG23 VAL 3 -14.730 2.613 4.632
21 H SER 4 HN SER 4 -17.754 -0.883 6.131
22 HA SER 4 HA SER 4 -19.518 -0.178 8.336
23 HB2 SER 4 HB2 SER 4 -20.319 -1.490 6.470
24 HB3 SER 4 HB3 SER 4 -19.040 -2.679 6.695
25 HG SER 4 HG SER 4 -21.390 -2.250 8.147
26 H HIS 5 HN HIS 5 -16.492 -1.846 8.079
27 HA HIS 5 HA HIS 5 -16.659 -2.561 10.985
28 HB2 HIS 5 HB2 HIS 5 -16.482 -4.253 8.665
29 HB3 HIS 5 HB3 HIS 5 -14.992 -4.411 9.593
30 HD1 HIS 5 HD1 HIS 5 -18.685 -4.116 10.566
31 HD2 HIS 5 HD2 HIS 5 -15.324 -6.429 11.429
32 HE1 HIS 5 HE1 HIS 5 -19.407 -5.813 12.305
33 H ALA 6 HN ALA 6 -15.393 -0.236 9.560
34 HA ALA 6 HA ALA 6 -13.349 0.943 9.544
35 HB1 ALA 6 HB1 ALA 6 -13.765 0.493 11.960
36 HB2 ALA 6 HB2 ALA 6 -12.043 0.562 11.587
37 HB3 ALA 6 HB3 ALA 6 -12.832 -0.997 11.822
38 H ARG 7 HN ARG 7 -13.473 -1.355 7.737
39 HA ARG 7 HA ARG 7 -10.616 -2.280 7.793
40 HB2 ARG 7 HB2 ARG 7 -13.231 -3.521 6.936
41 HB3 ARG 7 HB3 ARG 7 -11.710 -4.115 6.269
42 HG2 ARG 7 HG2 ARG 7 -11.149 -3.959 8.970
43 HG3 ARG 7 HG3 ARG 7 -12.836 -4.472 8.962
44 HD2 ARG 7 HD2 ARG 7 -10.837 -5.834 7.153
45 HD3 ARG 7 HD3 ARG 7 -11.001 -6.327 8.849
46 HE ARG 7 HE ARG 7 -13.584 -6.078 7.525
47 HH11 ARG 7 HH21 ARG 7 -12.321 -7.933 5.663
48 HH12 ARG 7 HH22 ARG 7 -12.518 -9.477 6.422
49 HH21 ARG 7 HH11 ARG 7 -13.209 -8.141 9.556
50 HH22 ARG 7 HH12 ARG 7 -13.022 -9.594 8.635
51 HA PRO 8 HA PRO 8 -11.073 0.445 4.121
52 HB2 PRO 8 HB2 PRO 8 -8.597 1.585 4.324
53 HB3 PRO 8 HB3 PRO 8 -10.014 2.183 5.211
54 HG2 PRO 8 HG2 PRO 8 -7.744 0.528 6.164
55 HG3 PRO 8 HG3 PRO 8 -8.666 1.779 7.010
56 HD2 PRO 8 HD2 PRO 8 -9.012 -0.931 7.360
57 HD3 PRO 8 HD3 PRO 8 -10.234 0.302 7.731
58 H ARG 9 HN ARG 9 -10.419 -0.154 2.090
59 HA ARG 9 HA ARG 9 -7.909 -1.710 1.714
60 HB2 ARG 9 HB2 ARG 9 -10.366 -2.932 2.038
61 HB3 ARG 9 HB3 ARG 9 -10.237 -2.808 0.282
62 HG2 ARG 9 HG2 ARG 9 -8.321 -4.133 0.190
63 HG3 ARG 9 HG3 ARG 9 -7.870 -3.774 1.856
64 HD2 ARG 9 HD2 ARG 9 -10.100 -5.038 2.454
65 HD3 ARG 9 HD3 ARG 9 -9.907 -5.742 0.836
66 HE ARG 9 HE ARG 9 -8.036 -6.102 3.108
67 HH11 ARG 9 HH21 ARG 9 -9.021 -8.473 1.706
68 HH12 ARG 9 HH22 ARG 9 -7.752 -8.841 0.588
69 HH21 ARG 9 HH11 ARG 9 -6.285 -5.697 0.820
70 HH22 ARG 9 HH12 ARG 9 -6.194 -7.263 0.086
71 H TRP 10 HN TRP 10 -10.808 -0.388 0.067
72 HA TRP 10 HA TRP 10 -9.949 -0.164 -2.573
73 HB2 TRP 10 HB2 TRP 10 -11.645 1.483 -0.721
74 HB3 TRP 10 HB3 TRP 10 -11.309 2.117 -2.330
75 HD1 TRP 10 HD1 TRP 10 -12.423 -1.311 -0.877
76 HE1 TRP 10 HE1 TRP 10 -14.266 -2.259 -2.412
77 HE3 TRP 10 HE3 TRP 10 -12.642 2.394 -4.386
78 HZ2 TRP 10 HZ2 TRP 10 -15.648 -1.541 -4.809
79 HZ3 TRP 10 HZ3 TRP 10 -14.229 2.236 -6.282
80 HH2 TRP 10 HH2 TRP 10 -15.731 0.275 -6.497
81 H PHE 11 HN PHE 11 -9.307 2.187 0.056
82 HA PHE 11 HA PHE 11 -7.368 3.635 -1.676
83 HB2 PHE 11 HB2 PHE 11 -8.722 4.117 0.985
84 HB3 PHE 11 HB3 PHE 11 -7.386 5.134 0.441
85 HD1 PHE 11 HD2 PHE 11 -7.584 6.406 -1.717
86 HD2 PHE 11 HD1 PHE 11 -10.907 4.319 0.030
87 HE1 PHE 11 HE2 PHE 11 -9.145 7.697 -3.147
88 HE2 PHE 11 HE1 PHE 11 -12.469 5.610 -1.400
89 HZ PHE 11 HZ PHE 11 -11.588 7.298 -2.989
90 H TRP 12 HN TRP 12 -7.498 1.529 1.162
91 HA TRP 12 HA TRP 12 -4.902 1.961 2.225
92 HB2 TRP 12 HB2 TRP 12 -6.670 0.691 3.346
93 HB3 TRP 12 HB3 TRP 12 -6.628 -0.526 2.072
94 HD1 TRP 12 HD1 TRP 12 -5.020 -2.475 2.388
95 HE1 TRP 12 HE1 TRP 12 -3.086 -3.016 4.002
96 HE3 TRP 12 HE3 TRP 12 -4.638 1.992 4.829
97 HZ2 TRP 12 HZ2 TRP 12 -1.574 -1.722 6.059
98 HZ3 TRP 12 HZ3 TRP 12 -2.944 2.312 6.610
99 HH2 TRP 12 HH2 TRP 12 -1.413 0.461 7.228
100 H PHE 13 HN PHE 13 -5.949 0.089 -0.559
101 HA PHE 13 HA PHE 13 -3.633 -1.505 -0.994
102 HB2 PHE 13 HB2 PHE 13 -5.901 -0.412 -2.573
103 HB3 PHE 13 HB3 PHE 13 -4.501 -0.936 -3.508
104 HD1 PHE 13 HD2 PHE 13 -3.434 -3.251 -2.368
105 HD2 PHE 13 HD1 PHE 13 -7.554 -2.030 -2.398
106 HE1 PHE 13 HE2 PHE 13 -4.138 -5.614 -2.096
107 HE2 PHE 13 HE1 PHE 13 -8.256 -4.392 -2.127
108 HZ PHE 13 HZ PHE 13 -6.549 -6.185 -1.976
109 H SER 14 HN SER 14 -4.342 1.838 -1.840
110 HA SER 14 HA SER 14 -1.983 2.359 -3.411
111 HB2 SER 14 HB2 SER 14 -4.225 3.667 -3.108
112 HB3 SER 14 HB3 SER 14 -3.442 4.372 -1.697
113 HG SER 14 HG SER 14 -1.772 5.084 -3.072
114 H LEU 15 HN LEU 15 -2.720 2.554 0.029
115 HA LEU 15 HA LEU 15 -0.269 3.822 0.882
116 HB2 LEU 15 HB2 LEU 15 -2.498 3.539 2.115
117 HB3 LEU 15 HB3 LEU 15 -2.014 1.871 2.420
118 HG LEU 15 HG LEU 15 0.015 3.934 3.075
119 HD11 LEU 15 HD11 LEU 15 -1.055 4.601 5.145
120 HD12 LEU 15 HD12 LEU 15 -2.425 3.536 4.831
121 HD13 LEU 15 HD13 LEU 15 -2.161 4.956 3.819
122 HD21 LEU 15 HD21 LEU 15 -0.267 2.309 5.238
123 HD22 LEU 15 HD22 LEU 15 0.733 1.900 3.845
124 HD23 LEU 15 HD23 LEU 15 -0.904 1.256 3.973
125 H LEU 16 HN LEU 16 -1.294 0.402 0.599
126 HA LEU 16 HA LEU 16 1.134 -0.762 1.600
127 HB2 LEU 16 HB2 LEU 16 -1.292 -1.692 1.061
128 HB3 LEU 16 HB3 LEU 16 -0.569 -2.057 -0.507
129 HG LEU 16 HG LEU 16 0.881 -2.855 2.001
130 HD11 LEU 16 HD11 LEU 16 -0.318 -4.980 2.047
131 HD12 LEU 16 HD12 LEU 16 -1.313 -4.482 0.678
132 HD13 LEU 16 HD13 LEU 16 -1.473 -3.660 2.230
133 HD21 LEU 16 HD21 LEU 16 2.209 -3.372 0.181
134 HD22 LEU 16 HD22 LEU 16 0.830 -3.579 -0.900
135 HD23 LEU 16 HD23 LEU 16 1.249 -4.849 0.250
136 H LEU 17 HN LEU 17 0.086 0.245 -1.601
137 HA LEU 17 HA LEU 17 2.276 -0.803 -3.128
138 HB2 LEU 17 HB2 LEU 17 -0.107 0.565 -3.552
139 HB3 LEU 17 HB3 LEU 17 1.114 1.737 -4.041
140 HG LEU 17 HG LEU 17 1.967 -0.731 -5.109
141 HD11 LEU 17 HD11 LEU 17 -1.003 -0.415 -5.083
142 HD12 LEU 17 HD12 LEU 17 -0.029 -1.886 -5.084
143 HD13 LEU 17 HD13 LEU 17 -0.258 -0.980 -6.579
144 HD21 LEU 17 HD21 LEU 17 0.628 1.721 -6.277
145 HD22 LEU 17 HD22 LEU 17 1.267 0.421 -7.283
146 HD23 LEU 17 HD23 LEU 17 2.350 1.342 -6.241
147 H LEU 18 HN LEU 18 1.819 2.117 -1.259
148 HA LEU 18 HA LEU 18 4.341 3.357 -2.119
149 HB2 LEU 18 HB2 LEU 18 1.933 4.272 -1.232
150 HB3 LEU 18 HB3 LEU 18 2.847 4.304 0.273
151 HG LEU 18 HG LEU 18 3.001 6.461 -0.939
152 HD11 LEU 18 HD11 LEU 18 5.364 6.739 -0.733
153 HD12 LEU 18 HD12 LEU 18 5.666 5.037 -1.083
154 HD13 LEU 18 HD13 LEU 18 4.919 5.505 0.446
155 HD21 LEU 18 HD21 LEU 18 4.552 4.977 -3.071
156 HD22 LEU 18 HD22 LEU 18 3.969 6.642 -3.105
157 HD23 LEU 18 HD23 LEU 18 2.826 5.306 -3.228
158 H ALA 19 HN ALA 19 3.072 1.556 0.620
159 HA ALA 19 HA ALA 19 5.204 1.941 2.486
160 HB1 ALA 19 HB1 ALA 19 3.389 -0.452 2.026
161 HB2 ALA 19 HB2 ALA 19 2.961 0.980 2.963
162 HB3 ALA 19 HB3 ALA 19 4.251 -0.085 3.521
163 H ALA 20 HN ALA 20 4.774 -0.418 -0.159
164 HA ALA 20 HA ALA 20 7.030 -2.087 0.413
165 HB1 ALA 20 HB1 ALA 20 6.682 -2.850 -1.856
166 HB2 ALA 20 HB2 ALA 20 5.890 -1.338 -2.299
167 HB3 ALA 20 HB3 ALA 20 5.095 -2.460 -1.194
168 H GLY 21 HN GLY 21 6.715 0.898 -1.523
169 HA2 GLY 21 HA2 GLY 21 9.433 0.929 -2.476
170 HA3 GLY 21 HA3 GLY 21 8.347 2.318 -2.440
171 H VAL 22 HN VAL 22 7.830 2.308 0.391
172 HA VAL 22 HA VAL 22 10.011 3.878 1.373
173 HB VAL 22 HB VAL 22 7.741 2.388 2.739
174 HG11 VAL 22 HG11 VAL 22 9.271 2.786 4.497
175 HG12 VAL 22 HG12 VAL 22 8.195 4.181 4.554
176 HG13 VAL 22 HG13 VAL 22 9.789 4.329 3.814
177 HG21 VAL 22 HG21 VAL 22 7.961 5.363 2.326
178 HG22 VAL 22 HG22 VAL 22 6.513 4.376 2.538
179 HG23 VAL 22 HG23 VAL 22 7.393 4.332 1.012
180 H GLY 23 HN GLY 23 9.174 0.436 1.885
181 HA2 GLY 23 HA2 GLY 23 11.256 -0.144 3.766
182 HA3 GLY 23 HA3 GLY 23 10.448 -1.338 2.749
183 H ILE 24 HN ILE 24 11.133 -0.359 0.201
184 HA ILE 24 HA ILE 24 13.814 -1.398 -0.123
185 HB ILE 24 HB ILE 24 11.938 0.182 -1.925
186 HG12 ILE 24 HG12 ILE 24 11.066 -2.008 -1.216
187 HG13 ILE 24 HG13 ILE 24 11.498 -2.047 -2.924
188 HG21 ILE 24 HG21 ILE 24 13.366 -0.820 -3.775
189 HG22 ILE 24 HG22 ILE 24 14.545 -1.234 -2.531
190 HG23 ILE 24 HG23 ILE 24 14.141 0.455 -2.836
191 HD11 ILE 24 HD11 ILE 24 13.814 -2.909 -2.059
192 HD12 ILE 24 HD12 ILE 24 12.456 -4.031 -2.122
193 HD13 ILE 24 HD13 ILE 24 12.924 -3.298 -0.588
194 H TYR 25 HN TYR 25 12.463 1.905 0.077
195 HA TYR 25 HA TYR 25 14.848 3.321 -0.678
196 HB2 TYR 25 HB2 TYR 25 12.386 4.101 -0.352
197 HB3 TYR 25 HB3 TYR 25 12.826 4.282 1.348
198 HD1 TYR 25 HD1 TYR 25 13.413 5.504 -2.078
199 HD2 TYR 25 HD2 TYR 25 14.470 5.945 2.063
200 HE1 TYR 25 HE1 TYR 25 14.501 7.673 -2.586
201 HE2 TYR 25 HE2 TYR 25 15.555 8.115 1.554
202 HH TYR 25 HH TYR 25 16.631 9.074 -1.009
203 H LEU 26 HN LEU 26 13.864 1.721 2.284
204 HA LEU 26 HA LEU 26 15.896 2.994 3.976
205 HB2 LEU 26 HB2 LEU 26 13.668 1.080 4.173
206 HB3 LEU 26 HB3 LEU 26 15.038 0.639 5.187
207 HG LEU 26 HG LEU 26 13.485 2.082 6.429
208 HD11 LEU 26 HD11 LEU 26 16.104 2.277 6.534
209 HD12 LEU 26 HD12 LEU 26 15.108 3.477 7.359
210 HD13 LEU 26 HD13 LEU 26 15.826 3.854 5.793
211 HD21 LEU 26 HD21 LEU 26 13.215 4.464 5.688
212 HD22 LEU 26 HD22 LEU 26 12.475 3.304 4.584
213 HD23 LEU 26 HD23 LEU 26 14.023 4.043 4.177
214 H LEU 27 HN LEU 27 15.626 0.198 1.869
215 HA LEU 27 HA LEU 27 18.450 -0.565 2.536
216 HB2 LEU 27 HB2 LEU 27 16.408 -1.990 3.377
217 HB3 LEU 27 HB3 LEU 27 16.323 -2.527 1.698
218 HG LEU 27 HG LEU 27 18.923 -2.912 2.022
219 HD11 LEU 27 HD11 LEU 27 17.899 -3.293 4.848
220 HD12 LEU 27 HD12 LEU 27 18.837 -1.890 4.337
221 HD13 LEU 27 HD13 LEU 27 19.554 -3.499 4.273
222 HD21 LEU 27 HD21 LEU 27 17.172 -4.643 1.555
223 HD22 LEU 27 HD22 LEU 27 16.886 -4.771 3.290
224 HD23 LEU 27 HD23 LEU 27 18.451 -5.229 2.618
225 HA PRO 28 HA PRO 28 17.708 -0.302 -2.081
226 HB2 PRO 28 HB2 PRO 28 18.404 2.280 -2.666
227 HB3 PRO 28 HB3 PRO 28 16.753 1.788 -2.247
228 HG2 PRO 28 HG2 PRO 28 18.651 3.360 -0.700
229 HG3 PRO 28 HG3 PRO 28 16.913 3.154 -0.477
230 HD2 PRO 28 HD2 PRO 28 19.077 1.862 0.944
231 HD3 PRO 28 HD3 PRO 28 17.338 1.793 1.262
232 H ASN 29 HN ASN 29 20.298 0.808 -0.007
233 HA ASN 29 HA ASN 29 22.369 0.812 -2.086
234 HB2 ASN 29 HB2 ASN 29 22.327 2.229 -0.002
235 HB3 ASN 29 HB3 ASN 29 22.576 0.762 0.944
236 HD21 ASN 29 HD21 ASN 29 24.668 -0.393 0.650
237 HD22 ASN 29 HD22 ASN 29 26.011 0.433 0.021
238 H ARG 30 HN ARG 30 21.229 -1.414 0.451
239 HA ARG 30 HA ARG 30 21.630 -3.711 0.788
240 HB2 ARG 30 HB2 ARG 30 21.537 -3.200 -1.964
241 HB3 ARG 30 HB3 ARG 30 22.990 -4.176 -1.758
242 HG2 ARG 30 HG2 ARG 30 20.524 -5.038 -0.306
243 HG3 ARG 30 HG3 ARG 30 20.584 -5.300 -2.048
244 HD2 ARG 30 HD2 ARG 30 21.844 -7.146 -1.679
245 HD3 ARG 30 HD3 ARG 30 23.116 -6.105 -1.010
246 HE ARG 30 HE ARG 30 20.845 -7.153 0.647
247 HH11 ARG 30 HH21 ARG 30 23.642 -8.467 0.516
248 HH12 ARG 30 HH22 ARG 30 24.353 -7.842 1.966
249 HH21 ARG 30 HH11 ARG 30 21.958 -5.358 2.379
250 HH22 ARG 30 HH12 ARG 30 23.395 -6.075 3.024
Start of MODEL 3
1 HA HIS 1 HA HIS 1 -20.127 1.040 6.555
2 HB2 HIS 1 HB2 HIS 1 -19.945 1.564 9.313
3 HB3 HIS 1 HB3 HIS 1 -19.130 0.014 9.095
4 HD1 HIS 1 HD1 HIS 1 -18.939 3.632 8.094
5 HD2 HIS 1 HD2 HIS 1 -16.752 0.127 7.536
6 HE1 HIS 1 HE1 HIS 1 -16.720 4.323 7.086
7 H SER 2 HN SER 2 -18.527 -1.153 7.304
8 HA SER 2 HA SER 2 -18.351 -3.488 7.079
9 HB2 SER 2 HB2 SER 2 -20.087 -3.087 9.050
10 HB3 SER 2 HB3 SER 2 -21.235 -3.740 7.884
11 HG SER 2 HG SER 2 -20.476 -5.550 8.728
12 H VAL 3 HN VAL 3 -18.255 -3.099 4.748
13 HA VAL 3 HA VAL 3 -18.866 -3.562 2.532
14 HB VAL 3 HB VAL 3 -19.700 -5.637 4.144
15 HG11 VAL 3 HG11 VAL 3 -22.082 -4.467 3.783
16 HG12 VAL 3 HG12 VAL 3 -21.906 -6.220 3.813
17 HG13 VAL 3 HG13 VAL 3 -22.011 -5.371 2.271
18 HG21 VAL 3 HG21 VAL 3 -19.997 -6.858 1.943
19 HG22 VAL 3 HG22 VAL 3 -18.488 -5.958 2.100
20 HG23 VAL 3 HG23 VAL 3 -19.812 -5.299 1.139
21 H SER 4 HN SER 4 -20.333 -1.396 4.229
22 HA SER 4 HA SER 4 -22.963 -1.156 2.979
23 HB2 SER 4 HB2 SER 4 -22.553 -0.335 5.230
24 HB3 SER 4 HB3 SER 4 -21.222 0.665 4.661
25 HG SER 4 HG SER 4 -23.996 0.973 4.302
26 H HIS 5 HN HIS 5 -19.777 0.306 2.543
27 HA HIS 5 HA HIS 5 -20.527 1.137 -0.201
28 HB2 HIS 5 HB2 HIS 5 -20.919 2.854 1.893
29 HB3 HIS 5 HB3 HIS 5 -19.275 3.278 1.416
30 HD1 HIS 5 HD1 HIS 5 -22.546 2.543 -0.434
31 HD2 HIS 5 HD2 HIS 5 -19.317 5.179 -0.570
32 HE1 HIS 5 HE1 HIS 5 -22.999 4.135 -2.352
33 H ALA 6 HN ALA 6 -18.472 -0.668 1.215
34 HA ALA 6 HA ALA 6 -16.161 -1.164 1.076
35 HB1 ALA 6 HB1 ALA 6 -16.463 0.402 -1.504
36 HB2 ALA 6 HB2 ALA 6 -17.127 -1.217 -1.280
37 HB3 ALA 6 HB3 ALA 6 -15.384 -0.959 -1.195
38 H ARG 7 HN ARG 7 -16.536 1.063 2.704
39 HA ARG 7 HA ARG 7 -14.956 3.352 1.840
40 HB2 ARG 7 HB2 ARG 7 -16.363 2.399 4.304
41 HB3 ARG 7 HB3 ARG 7 -15.173 3.687 4.482
42 HG2 ARG 7 HG2 ARG 7 -16.585 4.513 2.266
43 HG3 ARG 7 HG3 ARG 7 -17.843 3.756 3.245
44 HD2 ARG 7 HD2 ARG 7 -16.946 5.123 5.219
45 HD3 ARG 7 HD3 ARG 7 -16.012 6.042 4.022
46 HE ARG 7 HE ARG 7 -18.976 5.724 3.738
47 HH11 ARG 7 HH11 ARG 7 -18.130 8.011 5.464
48 HH12 ARG 7 HH12 ARG 7 -18.002 9.308 4.324
49 HH21 ARG 7 HH21 ARG 7 -17.931 7.213 1.552
50 HH22 ARG 7 HH22 ARG 7 -17.888 8.855 2.101
51 HA PRO 8 HA PRO 8 -11.586 1.559 4.638
52 HB2 PRO 8 HB2 PRO 8 -11.980 -0.782 5.982
53 HB3 PRO 8 HB3 PRO 8 -12.492 0.791 6.621
54 HG2 PRO 8 HG2 PRO 8 -14.102 -1.379 5.447
55 HG3 PRO 8 HG3 PRO 8 -14.551 -0.153 6.639
56 HD2 PRO 8 HD2 PRO 8 -15.180 -0.143 3.899
57 HD3 PRO 8 HD3 PRO 8 -15.386 1.198 5.042
58 H ARG 9 HN ARG 9 -9.895 -0.178 4.412
59 HA ARG 9 HA ARG 9 -8.707 -1.792 3.175
60 HB2 ARG 9 HB2 ARG 9 -10.888 -3.002 3.946
61 HB3 ARG 9 HB3 ARG 9 -11.374 -2.853 2.258
62 HG2 ARG 9 HG2 ARG 9 -9.796 -4.346 1.524
63 HG3 ARG 9 HG3 ARG 9 -8.622 -3.869 2.749
64 HD2 ARG 9 HD2 ARG 9 -11.135 -5.336 3.558
65 HD3 ARG 9 HD3 ARG 9 -9.719 -6.229 2.967
66 HE ARG 9 HE ARG 9 -9.899 -4.855 5.526
67 HH11 ARG 9 HH11 ARG 9 -8.185 -7.281 4.804
68 HH12 ARG 9 HH12 ARG 9 -6.592 -6.615 4.939
69 HH21 ARG 9 HH21 ARG 9 -7.686 -3.315 4.894
70 HH22 ARG 9 HH22 ARG 9 -6.308 -4.358 4.991
71 H TRP 10 HN TRP 10 -10.345 0.672 1.766
72 HA TRP 10 HA TRP 10 -9.956 -0.248 -1.042
73 HB2 TRP 10 HB2 TRP 10 -12.115 0.765 -0.293
74 HB3 TRP 10 HB3 TRP 10 -11.249 2.242 0.125
75 HD1 TRP 10 HD1 TRP 10 -12.130 3.868 -1.661
76 HE1 TRP 10 HE1 TRP 10 -12.059 3.942 -4.237
77 HE3 TRP 10 HE3 TRP 10 -10.379 -0.835 -2.640
78 HZ2 TRP 10 HZ2 TRP 10 -11.354 2.238 -6.421
79 HZ3 TRP 10 HZ3 TRP 10 -10.019 -1.578 -4.973
80 HH2 TRP 10 HH2 TRP 10 -10.504 -0.051 -6.864
81 H PHE 11 HN PHE 11 -9.128 2.488 1.121
82 HA PHE 11 HA PHE 11 -7.192 3.605 -0.765
83 HB2 PHE 11 HB2 PHE 11 -6.956 5.298 0.894
84 HB3 PHE 11 HB3 PHE 11 -8.638 4.791 1.016
85 HD1 PHE 11 HD1 PHE 11 -5.313 4.662 2.605
86 HD2 PHE 11 HD2 PHE 11 -9.439 3.512 2.939
87 HE1 PHE 11 HE1 PHE 11 -4.958 4.077 4.988
88 HE2 PHE 11 HE2 PHE 11 -9.081 2.928 5.322
89 HZ PHE 11 HZ PHE 11 -6.841 3.209 6.345
90 H TRP 12 HN TRP 12 -7.118 1.185 1.743
91 HA TRP 12 HA TRP 12 -4.423 1.311 2.607
92 HB2 TRP 12 HB2 TRP 12 -6.609 -0.691 2.436
93 HB3 TRP 12 HB3 TRP 12 -4.987 -1.346 2.654
94 HD1 TRP 12 HD1 TRP 12 -7.791 0.080 4.554
95 HE1 TRP 12 HE1 TRP 12 -7.067 0.654 6.965
96 HE3 TRP 12 HE3 TRP 12 -2.723 -0.294 4.066
97 HZ2 TRP 12 HZ2 TRP 12 -4.656 0.918 8.480
98 HZ3 TRP 12 HZ3 TRP 12 -1.238 0.123 6.005
99 HH2 TRP 12 HH2 TRP 12 -2.197 0.728 8.209
100 H PHE 13 HN PHE 13 -5.776 0.105 -0.393
101 HA PHE 13 HA PHE 13 -3.587 -1.487 -1.303
102 HB2 PHE 13 HB2 PHE 13 -5.970 -1.187 -2.240
103 HB3 PHE 13 HB3 PHE 13 -5.352 0.267 -3.024
104 HD1 PHE 13 HD1 PHE 13 -5.000 -3.422 -2.799
105 HD2 PHE 13 HD2 PHE 13 -3.897 0.140 -4.934
106 HE1 PHE 13 HE1 PHE 13 -4.057 -4.809 -4.625
107 HE2 PHE 13 HE2 PHE 13 -2.954 -1.249 -6.760
108 HZ PHE 13 HZ PHE 13 -3.034 -3.723 -6.605
109 H SER 14 HN SER 14 -4.291 1.964 -1.714
110 HA SER 14 HA SER 14 -1.915 2.619 -3.211
111 HB2 SER 14 HB2 SER 14 -4.160 3.906 -2.811
112 HB3 SER 14 HB3 SER 14 -3.375 4.488 -1.346
113 HG SER 14 HG SER 14 -1.664 5.249 -2.694
114 H LEU 15 HN LEU 15 -2.709 2.507 0.212
115 HA LEU 15 HA LEU 15 -0.289 3.691 1.238
116 HB2 LEU 15 HB2 LEU 15 -2.716 2.423 2.165
117 HB3 LEU 15 HB3 LEU 15 -1.344 1.751 3.043
118 HG LEU 15 HG LEU 15 -0.579 4.159 3.423
119 HD11 LEU 15 HD11 LEU 15 -3.212 4.566 2.064
120 HD12 LEU 15 HD12 LEU 15 -1.740 5.532 1.970
121 HD13 LEU 15 HD13 LEU 15 -2.789 5.658 3.383
122 HD21 LEU 15 HD21 LEU 15 -3.122 3.009 4.582
123 HD22 LEU 15 HD22 LEU 15 -2.443 4.521 5.181
124 HD23 LEU 15 HD23 LEU 15 -1.508 3.031 5.291
125 H LEU 16 HN LEU 16 -1.277 0.322 0.579
126 HA LEU 16 HA LEU 16 1.072 -0.993 1.524
127 HB2 LEU 16 HB2 LEU 16 -1.236 -1.905 0.816
128 HB3 LEU 16 HB3 LEU 16 -0.628 -1.822 -0.837
129 HG LEU 16 HG LEU 16 1.291 -3.108 0.944
130 HD11 LEU 16 HD11 LEU 16 -1.462 -4.352 0.651
131 HD12 LEU 16 HD12 LEU 16 -0.711 -3.830 2.159
132 HD13 LEU 16 HD13 LEU 16 -0.036 -5.190 1.261
133 HD21 LEU 16 HD21 LEU 16 1.406 -4.681 -0.853
134 HD22 LEU 16 HD22 LEU 16 1.127 -3.115 -1.613
135 HD23 LEU 16 HD23 LEU 16 -0.207 -4.253 -1.425
136 H LEU 17 HN LEU 17 0.252 0.337 -1.643
137 HA LEU 17 HA LEU 17 2.570 -0.501 -3.079
138 HB2 LEU 17 HB2 LEU 17 0.319 0.607 -3.811
139 HB3 LEU 17 HB3 LEU 17 1.157 2.128 -3.501
140 HG LEU 17 HG LEU 17 2.672 0.153 -5.107
141 HD11 LEU 17 HD11 LEU 17 0.398 1.678 -6.391
142 HD12 LEU 17 HD12 LEU 17 0.244 -0.007 -5.897
143 HD13 LEU 17 HD13 LEU 17 1.428 0.447 -7.122
144 HD21 LEU 17 HD21 LEU 17 2.049 3.053 -5.696
145 HD22 LEU 17 HD22 LEU 17 3.454 2.113 -6.201
146 HD23 LEU 17 HD23 LEU 17 3.273 2.590 -4.513
147 H LEU 18 HN LEU 18 1.953 2.259 -0.996
148 HA LEU 18 HA LEU 18 4.467 3.620 -1.500
149 HB2 LEU 18 HB2 LEU 18 2.174 4.469 -0.577
150 HB3 LEU 18 HB3 LEU 18 2.767 3.878 0.975
151 HG LEU 18 HG LEU 18 4.758 5.470 -0.482
152 HD11 LEU 18 HD11 LEU 18 3.635 7.637 -0.029
153 HD12 LEU 18 HD12 LEU 18 2.172 6.768 0.435
154 HD13 LEU 18 HD13 LEU 18 2.759 6.684 -1.226
155 HD21 LEU 18 HD21 LEU 18 3.530 5.910 2.249
156 HD22 LEU 18 HD22 LEU 18 5.138 6.380 1.697
157 HD23 LEU 18 HD23 LEU 18 4.755 4.678 1.952
158 H ALA 19 HN ALA 19 3.309 1.267 0.851
159 HA ALA 19 HA ALA 19 5.516 1.365 2.685
160 HB1 ALA 19 HB1 ALA 19 3.942 -1.117 1.994
161 HB2 ALA 19 HB2 ALA 19 3.160 0.244 2.799
162 HB3 ALA 19 HB3 ALA 19 4.511 -0.582 3.575
163 H ALA 20 HN ALA 20 4.985 -0.414 -0.345
164 HA ALA 20 HA ALA 20 7.358 -2.077 -0.141
165 HB1 ALA 20 HB1 ALA 20 5.558 -2.804 -1.526
166 HB2 ALA 20 HB2 ALA 20 6.817 -2.309 -2.656
167 HB3 ALA 20 HB3 ALA 20 5.451 -1.241 -2.337
168 H GLY 21 HN GLY 21 6.600 1.003 -1.803
169 HA2 GLY 21 HA2 GLY 21 9.180 1.287 -3.057
170 HA3 GLY 21 HA3 GLY 21 8.014 2.588 -2.809
171 H VAL 22 HN VAL 22 7.786 2.821 -0.123
172 HA VAL 22 HA VAL 22 10.196 4.164 0.682
173 HB VAL 22 HB VAL 22 7.758 3.159 2.194
174 HG11 VAL 22 HG11 VAL 22 10.143 4.766 3.071
175 HG12 VAL 22 HG12 VAL 22 9.268 3.507 3.942
176 HG13 VAL 22 HG13 VAL 22 8.562 5.114 3.772
177 HG21 VAL 22 HG21 VAL 22 7.398 4.858 0.385
178 HG22 VAL 22 HG22 VAL 22 8.514 5.935 1.224
179 HG23 VAL 22 HG23 VAL 22 6.996 5.468 1.991
180 H GLY 23 HN GLY 23 8.946 0.892 1.328
181 HA2 GLY 23 HA2 GLY 23 10.790 0.140 3.367
182 HA3 GLY 23 HA3 GLY 23 9.984 -0.986 2.274
183 H ILE 24 HN ILE 24 10.982 -0.250 -0.193
184 HA ILE 24 HA ILE 24 13.627 -1.424 -0.181
185 HB ILE 24 HB ILE 24 11.875 -0.018 -2.221
186 HG12 ILE 24 HG12 ILE 24 12.860 -2.879 -2.172
187 HG13 ILE 24 HG13 ILE 24 11.414 -2.381 -1.294
188 HG21 ILE 24 HG21 ILE 24 13.554 -0.964 -3.911
189 HG22 ILE 24 HG22 ILE 24 14.669 -1.138 -2.556
190 HG23 ILE 24 HG23 ILE 24 14.080 0.461 -3.013
191 HD11 ILE 24 HD11 ILE 24 10.324 -1.675 -3.315
192 HD12 ILE 24 HD12 ILE 24 10.992 -3.276 -3.634
193 HD13 ILE 24 HD13 ILE 24 11.813 -1.839 -4.247
194 H TYR 25 HN TYR 25 12.432 1.944 -0.330
195 HA TYR 25 HA TYR 25 14.946 3.183 -0.981
196 HB2 TYR 25 HB2 TYR 25 12.496 4.092 -0.911
197 HB3 TYR 25 HB3 TYR 25 12.841 4.417 0.790
198 HD1 TYR 25 HD2 TYR 25 14.594 6.017 1.444
199 HD2 TYR 25 HD1 TYR 25 13.639 5.308 -2.684
200 HE1 TYR 25 HE2 TYR 25 15.829 8.070 0.804
201 HE2 TYR 25 HE1 TYR 25 14.875 7.360 -3.323
202 HH TYR 25 HH TYR 25 17.049 8.760 -1.746
203 H LEU 26 HN LEU 26 13.646 1.853 1.990
204 HA LEU 26 HA LEU 26 15.601 3.162 3.750
205 HB2 LEU 26 HB2 LEU 26 13.238 1.431 3.901
206 HB3 LEU 26 HB3 LEU 26 14.497 0.926 5.026
207 HG LEU 26 HG LEU 26 12.963 2.572 6.061
208 HD11 LEU 26 HD11 LEU 26 14.647 3.908 7.054
209 HD12 LEU 26 HD12 LEU 26 15.621 3.923 5.584
210 HD13 LEU 26 HD13 LEU 26 15.492 2.448 6.542
211 HD21 LEU 26 HD21 LEU 26 12.819 4.839 5.239
212 HD22 LEU 26 HD22 LEU 26 12.466 3.765 3.886
213 HD23 LEU 26 HD23 LEU 26 14.050 4.529 4.015
214 H LEU 27 HN LEU 27 15.322 0.212 1.861
215 HA LEU 27 HA LEU 27 18.037 -0.638 2.815
216 HB2 LEU 27 HB2 LEU 27 15.843 -1.884 3.564
217 HB3 LEU 27 HB3 LEU 27 15.886 -2.549 1.931
218 HG LEU 27 HG LEU 27 18.406 -3.051 2.511
219 HD11 LEU 27 HD11 LEU 27 17.122 -2.935 5.259
220 HD12 LEU 27 HD12 LEU 27 18.360 -1.828 4.664
221 HD13 LEU 27 HD13 LEU 27 18.742 -3.534 4.902
222 HD21 LEU 27 HD21 LEU 27 16.170 -4.652 3.798
223 HD22 LEU 27 HD22 LEU 27 17.751 -5.263 3.309
224 HD23 LEU 27 HD23 LEU 27 16.598 -4.727 2.088
225 HA PRO 28 HA PRO 28 17.694 -0.685 -1.860
226 HB2 PRO 28 HB2 PRO 28 18.601 1.800 -2.565
227 HB3 PRO 28 HB3 PRO 28 16.892 1.435 -2.270
228 HG2 PRO 28 HG2 PRO 28 18.745 3.007 -0.663
229 HG3 PRO 28 HG3 PRO 28 16.985 2.936 -0.605
230 HD2 PRO 28 HD2 PRO 28 18.883 1.641 1.139
231 HD3 PRO 28 HD3 PRO 28 17.120 1.676 1.249
232 H ASN 29 HN ASN 29 20.197 0.833 0.162
233 HA ASN 29 HA ASN 29 22.318 -0.283 -1.635
234 HB2 ASN 29 HB2 ASN 29 22.151 1.995 0.343
235 HB3 ASN 29 HB3 ASN 29 23.708 1.389 -0.221
236 HD21 ASN 29 HD21 ASN 29 24.404 2.041 -2.310
237 HD22 ASN 29 HD22 ASN 29 23.457 2.973 -3.366
238 H ARG 30 HN ARG 30 20.657 -1.243 1.045
239 HA ARG 30 HA ARG 30 23.079 -2.424 2.367
240 HB2 ARG 30 HB2 ARG 30 20.718 -1.002 3.310
241 HB3 ARG 30 HB3 ARG 30 20.869 -2.574 4.094
242 HG2 ARG 30 HG2 ARG 30 23.332 -1.965 4.489
243 HG3 ARG 30 HG3 ARG 30 22.879 -0.319 4.046
244 HD2 ARG 30 HD2 ARG 30 22.631 -0.337 6.405
245 HD3 ARG 30 HD3 ARG 30 20.978 -0.626 5.828
246 HE ARG 30 HE ARG 30 21.245 -2.984 6.347
247 HH11 ARG 30 HH11 ARG 30 22.297 -1.625 8.854
248 HH12 ARG 30 HH12 ARG 30 23.761 -2.505 9.134
249 HH21 ARG 30 HH21 ARG 30 23.858 -3.871 5.938
250 HH22 ARG 30 HH22 ARG 30 24.649 -3.782 7.476
Start of MODEL 4
1 HA HIS 1 HA HIS 1 -18.530 14.603 3.382
2 HB2 HIS 1 HB2 HIS 1 -20.318 14.473 5.740
3 HB3 HIS 1 HB3 HIS 1 -18.670 13.917 6.032
4 HD1 HIS 1 HD1 HIS 1 -20.636 16.941 5.904
5 HD2 HIS 1 HD2 HIS 1 -16.681 15.966 5.011
6 HE1 HIS 1 HE1 HIS 1 -19.353 19.124 5.860
7 H SER 2 HN SER 2 -16.855 13.036 3.777
8 HA SER 2 HA SER 2 -17.622 10.246 4.417
9 HB2 SER 2 HB2 SER 2 -16.578 9.497 2.229
10 HB3 SER 2 HB3 SER 2 -18.089 10.383 2.049
11 HG SER 2 HG SER 2 -15.653 10.975 1.099
12 H VAL 3 HN VAL 3 -15.927 12.065 5.845
13 HA VAL 3 HA VAL 3 -13.211 10.871 5.356
14 HB VAL 3 HB VAL 3 -13.878 13.540 6.644
15 HG11 VAL 3 HG11 VAL 3 -11.410 13.841 5.667
16 HG12 VAL 3 HG12 VAL 3 -11.388 12.086 5.847
17 HG13 VAL 3 HG13 VAL 3 -11.688 13.113 7.249
18 HG21 VAL 3 HG21 VAL 3 -12.898 14.318 4.302
19 HG22 VAL 3 HG22 VAL 3 -14.615 13.949 4.472
20 HG23 VAL 3 HG23 VAL 3 -13.523 12.757 3.767
21 H SER 4 HN SER 4 -15.067 9.471 6.943
22 HA SER 4 HA SER 4 -14.695 10.151 9.773
23 HB2 SER 4 HB2 SER 4 -16.175 8.194 8.109
24 HB3 SER 4 HB3 SER 4 -15.752 7.648 9.729
25 HG SER 4 HG SER 4 -17.754 9.155 9.089
26 H HIS 5 HN HIS 5 -13.518 7.688 7.533
27 HA HIS 5 HA HIS 5 -11.234 7.139 9.382
28 HB2 HIS 5 HB2 HIS 5 -13.495 5.497 8.957
29 HB3 HIS 5 HB3 HIS 5 -12.187 4.743 8.047
30 HD1 HIS 5 HD1 HIS 5 -11.162 2.989 9.489
31 HD2 HIS 5 HD2 HIS 5 -12.098 6.413 11.678
32 HE1 HIS 5 HE1 HIS 5 -10.336 2.580 11.849
33 H ALA 6 HN ALA 6 -11.558 8.608 6.744
34 HA ALA 6 HA ALA 6 -10.458 8.771 4.661
35 HB1 ALA 6 HB1 ALA 6 -8.168 8.409 4.904
36 HB2 ALA 6 HB2 ALA 6 -8.399 6.884 5.760
37 HB3 ALA 6 HB3 ALA 6 -8.673 8.414 6.594
38 H ARG 7 HN ARG 7 -12.460 6.696 4.802
39 HA ARG 7 HA ARG 7 -13.240 4.951 3.420
40 HB2 ARG 7 HB2 ARG 7 -11.313 6.280 1.970
41 HB3 ARG 7 HB3 ARG 7 -10.690 4.631 1.968
42 HG2 ARG 7 HG2 ARG 7 -12.200 4.053 0.406
43 HG3 ARG 7 HG3 ARG 7 -13.509 4.507 1.496
44 HD2 ARG 7 HD2 ARG 7 -13.764 5.848 -0.503
45 HD3 ARG 7 HD3 ARG 7 -13.118 6.928 0.748
46 HE ARG 7 HE ARG 7 -10.804 6.153 -0.276
47 HH11 ARG 7 HH11 ARG 7 -12.183 8.569 -1.480
48 HH12 ARG 7 HH12 ARG 7 -12.127 8.193 -3.170
49 HH21 ARG 7 HH21 ARG 7 -11.399 4.833 -2.664
50 HH22 ARG 7 HH22 ARG 7 -11.686 6.069 -3.842
51 HA PRO 8 HA PRO 8 -11.446 1.691 5.907
52 HB2 PRO 8 HB2 PRO 8 -13.333 -0.206 5.311
53 HB3 PRO 8 HB3 PRO 8 -13.606 1.098 6.483
54 HG2 PRO 8 HG2 PRO 8 -14.496 0.887 3.649
55 HG3 PRO 8 HG3 PRO 8 -15.362 1.514 5.059
56 HD2 PRO 8 HD2 PRO 8 -14.183 3.116 3.208
57 HD3 PRO 8 HD3 PRO 8 -14.376 3.579 4.913
58 H ARG 9 HN ARG 9 -12.302 1.455 2.492
59 HA ARG 9 HA ARG 9 -9.890 -0.130 1.929
60 HB2 ARG 9 HB2 ARG 9 -12.186 -1.486 2.612
61 HB3 ARG 9 HB3 ARG 9 -12.346 -1.397 0.859
62 HG2 ARG 9 HG2 ARG 9 -10.424 -2.649 0.478
63 HG3 ARG 9 HG3 ARG 9 -9.700 -2.194 2.020
64 HD2 ARG 9 HD2 ARG 9 -12.111 -3.586 2.632
65 HD3 ARG 9 HD3 ARG 9 -11.241 -4.545 1.418
66 HE ARG 9 HE ARG 9 -9.232 -4.412 2.900
67 HH11 ARG 9 HH11 ARG 9 -10.333 -2.146 4.615
68 HH12 ARG 9 HH12 ARG 9 -10.751 -2.994 6.067
69 HH21 ARG 9 HH21 ARG 9 -10.624 -6.134 4.580
70 HH22 ARG 9 HH22 ARG 9 -10.914 -5.263 6.047
71 H TRP 10 HN TRP 10 -10.625 -0.937 -0.692
72 HA TRP 10 HA TRP 10 -10.692 -0.051 -2.883
73 HB2 TRP 10 HB2 TRP 10 -13.066 0.333 -1.616
74 HB3 TRP 10 HB3 TRP 10 -12.662 2.002 -2.016
75 HD1 TRP 10 HD1 TRP 10 -13.450 2.733 -4.308
76 HE1 TRP 10 HE1 TRP 10 -13.978 1.568 -6.547
77 HE3 TRP 10 HE3 TRP 10 -12.241 -2.080 -3.104
78 HZ2 TRP 10 HZ2 TRP 10 -13.900 -1.061 -7.677
79 HZ3 TRP 10 HZ3 TRP 10 -12.477 -3.892 -4.778
80 HH2 TRP 10 HH2 TRP 10 -13.304 -3.389 -7.060
81 H PHE 11 HN PHE 11 -8.781 1.149 -0.972
82 HA PHE 11 HA PHE 11 -7.918 3.448 -2.507
83 HB2 PHE 11 HB2 PHE 11 -9.944 4.252 -1.146
84 HB3 PHE 11 HB3 PHE 11 -8.945 4.021 0.288
85 HD1 PHE 11 HD1 PHE 11 -8.906 5.700 -3.065
86 HD2 PHE 11 HD2 PHE 11 -7.518 5.738 1.000
87 HE1 PHE 11 HE1 PHE 11 -7.844 7.907 -3.449
88 HE2 PHE 11 HE2 PHE 11 -6.456 7.946 0.616
89 HZ PHE 11 HZ PHE 11 -6.620 9.031 -1.608
90 H TRP 12 HN TRP 12 -7.846 1.883 0.701
91 HA TRP 12 HA TRP 12 -5.272 2.708 1.546
92 HB2 TRP 12 HB2 TRP 12 -7.216 0.536 2.127
93 HB3 TRP 12 HB3 TRP 12 -5.576 0.298 2.724
94 HD1 TRP 12 HD1 TRP 12 -8.683 2.366 3.243
95 HE1 TRP 12 HE1 TRP 12 -8.376 3.884 5.303
96 HE3 TRP 12 HE3 TRP 12 -3.709 1.638 4.134
97 HZ2 TRP 12 HZ2 TRP 12 -6.289 4.684 7.093
98 HZ3 TRP 12 HZ3 TRP 12 -2.587 2.790 6.020
99 HH2 TRP 12 HH2 TRP 12 -3.870 4.311 7.499
100 H PHE 13 HN PHE 13 -6.131 0.401 -0.899
101 HA PHE 13 HA PHE 13 -3.863 -1.315 -0.870
102 HB2 PHE 13 HB2 PHE 13 -6.127 -0.803 -2.475
103 HB3 PHE 13 HB3 PHE 13 -4.737 -0.653 -3.549
104 HD1 PHE 13 HD1 PHE 13 -6.187 -2.887 -0.917
105 HD2 PHE 13 HD2 PHE 13 -3.695 -2.574 -4.402
106 HE1 PHE 13 HE1 PHE 13 -5.972 -5.358 -0.984
107 HE2 PHE 13 HE2 PHE 13 -3.480 -5.044 -4.470
108 HZ PHE 13 HZ PHE 13 -4.618 -6.435 -2.762
109 H SER 14 HN SER 14 -4.327 1.890 -2.272
110 HA SER 14 HA SER 14 -1.826 2.060 -3.685
111 HB2 SER 14 HB2 SER 14 -3.740 4.080 -2.497
112 HB3 SER 14 HB3 SER 14 -2.333 4.558 -3.444
113 HG SER 14 HG SER 14 -4.572 4.081 -4.459
114 H LEU 15 HN LEU 15 -2.818 2.790 -0.393
115 HA LEU 15 HA LEU 15 -0.386 4.037 0.513
116 HB2 LEU 15 HB2 LEU 15 -2.677 4.062 1.595
117 HB3 LEU 15 HB3 LEU 15 -2.421 2.383 2.055
118 HG LEU 15 HG LEU 15 -1.874 4.213 3.803
119 HD11 LEU 15 HD11 LEU 15 0.564 2.579 3.499
120 HD12 LEU 15 HD12 LEU 15 -0.943 1.667 3.413
121 HD13 LEU 15 HD13 LEU 15 -0.587 2.651 4.833
122 HD21 LEU 15 HD21 LEU 15 0.177 5.375 3.612
123 HD22 LEU 15 HD22 LEU 15 -0.537 5.517 2.005
124 HD23 LEU 15 HD23 LEU 15 0.743 4.341 2.301
125 H LEU 16 HN LEU 16 -1.543 0.658 0.473
126 HA LEU 16 HA LEU 16 0.680 -0.517 1.849
127 HB2 LEU 16 HB2 LEU 16 -1.615 -1.493 1.323
128 HB3 LEU 16 HB3 LEU 16 -1.050 -1.725 -0.329
129 HG LEU 16 HG LEU 16 -0.865 -3.717 1.336
130 HD11 LEU 16 HD11 LEU 16 0.636 -4.592 -0.123
131 HD12 LEU 16 HD12 LEU 16 1.810 -3.309 0.163
132 HD13 LEU 16 HD13 LEU 16 0.473 -3.047 -0.957
133 HD21 LEU 16 HD21 LEU 16 1.034 -3.759 2.782
134 HD22 LEU 16 HD22 LEU 16 0.245 -2.214 3.091
135 HD23 LEU 16 HD23 LEU 16 1.692 -2.279 2.084
136 H LEU 17 HN LEU 17 0.070 0.166 -1.559
137 HA LEU 17 HA LEU 17 2.379 -1.097 -2.674
138 HB2 LEU 17 HB2 LEU 17 0.210 0.024 -3.693
139 HB3 LEU 17 HB3 LEU 17 1.232 1.461 -3.752
140 HG LEU 17 HG LEU 17 2.963 -0.274 -4.821
141 HD11 LEU 17 HD11 LEU 17 1.474 -2.212 -4.599
142 HD12 LEU 17 HD12 LEU 17 1.736 -1.847 -6.304
143 HD13 LEU 17 HD13 LEU 17 0.225 -1.379 -5.525
144 HD21 LEU 17 HD21 LEU 17 0.675 0.790 -6.492
145 HD22 LEU 17 HD22 LEU 17 2.366 0.611 -6.958
146 HD23 LEU 17 HD23 LEU 17 1.899 1.850 -5.792
147 H LEU 18 HN LEU 18 1.871 2.031 -1.178
148 HA LEU 18 HA LEU 18 4.476 3.136 -1.845
149 HB2 LEU 18 HB2 LEU 18 2.196 4.257 -1.194
150 HB3 LEU 18 HB3 LEU 18 2.739 3.985 0.462
151 HG LEU 18 HG LEU 18 4.967 5.092 -0.371
152 HD11 LEU 18 HD11 LEU 18 2.928 6.061 -2.396
153 HD12 LEU 18 HD12 LEU 18 4.419 5.183 -2.737
154 HD13 LEU 18 HD13 LEU 18 4.488 6.832 -2.117
155 HD21 LEU 18 HD21 LEU 18 4.033 7.329 0.203
156 HD22 LEU 18 HD22 LEU 18 3.494 6.078 1.321
157 HD23 LEU 18 HD23 LEU 18 2.406 6.663 0.063
158 H ALA 19 HN ALA 19 3.120 1.282 0.809
159 HA ALA 19 HA ALA 19 5.167 1.637 2.769
160 HB1 ALA 19 HB1 ALA 19 2.840 0.527 2.897
161 HB2 ALA 19 HB2 ALA 19 4.138 -0.254 3.800
162 HB3 ALA 19 HB3 ALA 19 3.624 -0.914 2.248
163 H ALA 20 HN ALA 20 4.862 -0.714 0.091
164 HA ALA 20 HA ALA 20 7.200 -2.266 0.672
165 HB1 ALA 20 HB1 ALA 20 5.829 -1.588 -1.954
166 HB2 ALA 20 HB2 ALA 20 5.397 -2.919 -0.881
167 HB3 ALA 20 HB3 ALA 20 6.951 -2.927 -1.713
168 H GLY 21 HN GLY 21 6.728 0.704 -1.253
169 HA2 GLY 21 HA2 GLY 21 9.411 0.859 -2.274
170 HA3 GLY 21 HA3 GLY 21 8.283 2.211 -2.163
171 H VAL 22 HN VAL 22 7.858 2.119 0.672
172 HA VAL 22 HA VAL 22 10.036 3.714 1.630
173 HB VAL 22 HB VAL 22 7.815 2.167 3.014
174 HG11 VAL 22 HG11 VAL 22 9.496 2.587 4.687
175 HG12 VAL 22 HG12 VAL 22 8.245 3.810 4.899
176 HG13 VAL 22 HG13 VAL 22 9.758 4.227 4.095
177 HG21 VAL 22 HG21 VAL 22 7.419 4.143 1.323
178 HG22 VAL 22 HG22 VAL 22 7.975 5.151 2.659
179 HG23 VAL 22 HG23 VAL 22 6.549 4.131 2.858
180 H GLY 23 HN GLY 23 9.265 0.248 2.066
181 HA2 GLY 23 HA2 GLY 23 11.385 -0.349 3.902
182 HA3 GLY 23 HA3 GLY 23 10.580 -1.526 2.864
183 H ILE 24 HN ILE 24 11.193 -0.581 0.335
184 HA ILE 24 HA ILE 24 13.910 -1.495 -0.043
185 HB ILE 24 HB ILE 24 11.956 0.018 -1.825
186 HG12 ILE 24 HG12 ILE 24 11.099 -2.156 -1.084
187 HG13 ILE 24 HG13 ILE 24 11.548 -2.249 -2.786
188 HG21 ILE 24 HG21 ILE 24 13.366 -1.024 -3.676
189 HG22 ILE 24 HG22 ILE 24 14.574 -1.373 -2.441
190 HG23 ILE 24 HG23 ILE 24 14.129 0.297 -2.792
191 HD11 ILE 24 HD11 ILE 24 13.905 -2.952 -1.590
192 HD12 ILE 24 HD12 ILE 24 12.693 -4.109 -2.138
193 HD13 ILE 24 HD13 ILE 24 12.736 -3.612 -0.446
194 H TYR 25 HN TYR 25 12.427 1.737 0.231
195 HA TYR 25 HA TYR 25 14.679 3.289 -0.630
196 HB2 TYR 25 HB2 TYR 25 12.373 4.140 -0.315
197 HB3 TYR 25 HB3 TYR 25 12.525 3.891 1.426
198 HD1 TYR 25 HD2 TYR 25 13.942 5.760 -1.469
199 HD2 TYR 25 HD1 TYR 25 13.664 5.458 2.807
200 HE1 TYR 25 HE2 TYR 25 15.050 7.966 -1.241
201 HE2 TYR 25 HE1 TYR 25 14.774 7.663 3.035
202 HH TYR 25 HH TYR 25 14.930 9.832 1.252
203 H LEU 26 HN LEU 26 14.001 1.568 2.349
204 HA LEU 26 HA LEU 26 16.072 2.926 3.930
205 HB2 LEU 26 HB2 LEU 26 13.951 0.920 4.244
206 HB3 LEU 26 HB3 LEU 26 15.413 0.495 5.133
207 HG LEU 26 HG LEU 26 15.321 3.047 5.855
208 HD11 LEU 26 HD11 LEU 26 13.375 3.569 4.417
209 HD12 LEU 26 HD12 LEU 26 12.998 3.820 6.121
210 HD13 LEU 26 HD13 LEU 26 12.416 2.376 5.292
211 HD21 LEU 26 HD21 LEU 26 13.628 0.789 6.960
212 HD22 LEU 26 HD22 LEU 26 13.865 2.317 7.809
213 HD23 LEU 26 HD23 LEU 26 15.244 1.270 7.475
214 H LEU 27 HN LEU 27 15.813 0.151 1.789
215 HA LEU 27 HA LEU 27 18.710 -0.466 2.275
216 HB2 LEU 27 HB2 LEU 27 16.784 -2.026 3.170
217 HB3 LEU 27 HB3 LEU 27 16.671 -2.535 1.483
218 HG LEU 27 HG LEU 27 19.446 -2.433 2.336
219 HD11 LEU 27 HD11 LEU 27 19.274 -4.396 3.908
220 HD12 LEU 27 HD12 LEU 27 17.532 -4.123 3.971
221 HD13 LEU 27 HD13 LEU 27 18.640 -2.890 4.572
222 HD21 LEU 27 HD21 LEU 27 17.550 -4.558 1.306
223 HD22 LEU 27 HD22 LEU 27 19.250 -4.889 1.642
224 HD23 LEU 27 HD23 LEU 27 18.809 -3.706 0.413
225 HA PRO 28 HA PRO 28 17.706 -0.133 -2.292
226 HB2 PRO 28 HB2 PRO 28 18.171 2.506 -2.842
227 HB3 PRO 28 HB3 PRO 28 16.584 1.883 -2.354
228 HG2 PRO 28 HG2 PRO 28 18.447 3.551 -0.860
229 HG3 PRO 28 HG3 PRO 28 16.738 3.227 -0.565
230 HD2 PRO 28 HD2 PRO 28 19.037 2.060 0.736
231 HD3 PRO 28 HD3 PRO 28 17.323 1.849 1.112
232 H ASN 29 HN ASN 29 20.282 1.083 -0.288
233 HA ASN 29 HA ASN 29 22.253 1.303 -2.466
234 HB2 ASN 29 HB2 ASN 29 22.648 1.294 0.544
235 HB3 ASN 29 HB3 ASN 29 23.715 2.001 -0.670
236 HD21 ASN 29 HD21 ASN 29 22.760 3.888 -1.951
237 HD22 ASN 29 HD22 ASN 29 21.619 4.883 -1.185
238 H ARG 30 HN ARG 30 21.424 -0.991 0.129
239 HA ARG 30 HA ARG 30 22.057 -3.231 0.475
240 HB2 ARG 30 HB2 ARG 30 21.591 -2.864 -2.183
241 HB3 ARG 30 HB3 ARG 30 23.263 -3.421 -2.233
242 HG2 ARG 30 HG2 ARG 30 22.734 -5.467 -1.161
243 HG3 ARG 30 HG3 ARG 30 21.167 -4.870 -0.614
244 HD2 ARG 30 HD2 ARG 30 20.695 -6.304 -2.484
245 HD3 ARG 30 HD3 ARG 30 20.563 -4.650 -3.116
246 HE ARG 30 HE ARG 30 22.761 -4.907 -4.136
247 HH11 ARG 30 HH21 ARG 30 21.536 -7.319 -5.264
248 HH12 ARG 30 HH22 ARG 30 22.637 -8.578 -4.813
249 HH21 ARG 30 HH11 ARG 30 24.203 -6.685 -2.352
250 HH22 ARG 30 HH12 ARG 30 24.153 -8.217 -3.157
Start of MODEL 5
1 HA HIS 1 HA HIS 1 -9.502 14.233 -11.525
2 HB2 HIS 1 HB2 HIS 1 -7.245 15.292 -11.609
3 HB3 HIS 1 HB3 HIS 1 -7.948 16.793 -11.011
4 HD1 HIS 1 HD1 HIS 1 -6.330 16.477 -8.897
5 HD2 HIS 1 HD2 HIS 1 -9.338 13.616 -9.278
6 HE1 HIS 1 HE1 HIS 1 -6.487 15.298 -6.661
7 H SER 2 HN SER 2 -11.214 14.261 -10.122
8 HA SER 2 HA SER 2 -12.320 16.884 -9.214
9 HB2 SER 2 HB2 SER 2 -13.775 14.564 -10.506
10 HB3 SER 2 HB3 SER 2 -14.603 15.870 -9.662
11 HG SER 2 HG SER 2 -14.341 17.040 -11.378
12 H VAL 3 HN VAL 3 -14.017 13.918 -8.654
13 HA VAL 3 HA VAL 3 -12.918 13.791 -5.869
14 HB VAL 3 HB VAL 3 -15.264 13.210 -5.195
15 HG11 VAL 3 HG11 VAL 3 -14.264 15.595 -5.285
16 HG12 VAL 3 HG12 VAL 3 -16.017 15.449 -5.157
17 HG13 VAL 3 HG13 VAL 3 -15.274 15.818 -6.714
18 HG21 VAL 3 HG21 VAL 3 -17.077 13.394 -6.734
19 HG22 VAL 3 HG22 VAL 3 -15.863 12.420 -7.565
20 HG23 VAL 3 HG23 VAL 3 -16.055 14.127 -7.969
21 H SER 4 HN SER 4 -12.866 12.153 -8.664
22 HA SER 4 HA SER 4 -13.505 9.468 -7.576
23 HB2 SER 4 HB2 SER 4 -14.329 10.051 -9.796
24 HB3 SER 4 HB3 SER 4 -12.708 10.513 -10.310
25 HG SER 4 HG SER 4 -13.654 8.253 -10.746
26 H HIS 5 HN HIS 5 -10.793 11.445 -8.598
27 HA HIS 5 HA HIS 5 -8.889 9.214 -8.040
28 HB2 HIS 5 HB2 HIS 5 -8.585 11.918 -9.384
29 HB3 HIS 5 HB3 HIS 5 -7.290 10.737 -9.214
30 HD1 HIS 5 HD1 HIS 5 -7.217 8.837 -10.892
31 HD2 HIS 5 HD2 HIS 5 -10.771 11.007 -11.106
32 HE1 HIS 5 HE1 HIS 5 -8.448 7.995 -12.939
33 H ALA 6 HN ALA 6 -10.360 11.430 -6.190
34 HA ALA 6 HA ALA 6 -7.886 12.241 -4.704
35 HB1 ALA 6 HB1 ALA 6 -10.699 13.387 -4.748
36 HB2 ALA 6 HB2 ALA 6 -9.304 14.055 -5.595
37 HB3 ALA 6 HB3 ALA 6 -9.346 14.051 -3.832
38 H ARG 7 HN ARG 7 -9.786 9.701 -4.582
39 HA ARG 7 HA ARG 7 -9.715 9.504 -1.633
40 HB2 ARG 7 HB2 ARG 7 -11.888 10.631 -2.453
41 HB3 ARG 7 HB3 ARG 7 -12.306 9.061 -3.139
42 HG2 ARG 7 HG2 ARG 7 -13.311 9.022 -1.003
43 HG3 ARG 7 HG3 ARG 7 -11.813 8.121 -0.777
44 HD2 ARG 7 HD2 ARG 7 -11.364 10.970 -0.376
45 HD3 ARG 7 HD3 ARG 7 -12.632 10.362 0.707
46 HE ARG 7 HE ARG 7 -10.179 8.714 0.462
47 HH11 ARG 7 HH21 ARG 7 -12.298 8.599 2.680
48 HH12 ARG 7 HH22 ARG 7 -11.439 9.339 3.989
49 HH21 ARG 7 HH11 ARG 7 -8.972 10.693 1.949
50 HH22 ARG 7 HH12 ARG 7 -9.550 10.530 3.573
51 HA PRO 8 HA PRO 8 -9.021 5.611 -4.120
52 HB2 PRO 8 HB2 PRO 8 -6.477 5.091 -3.243
53 HB3 PRO 8 HB3 PRO 8 -6.834 6.090 -4.664
54 HG2 PRO 8 HG2 PRO 8 -6.072 6.918 -1.917
55 HG3 PRO 8 HG3 PRO 8 -5.653 7.644 -3.475
56 HD2 PRO 8 HD2 PRO 8 -7.579 8.619 -1.769
57 HD3 PRO 8 HD3 PRO 8 -7.530 8.930 -3.518
58 H ARG 9 HN ARG 9 -6.921 5.249 -1.308
59 HA ARG 9 HA ARG 9 -7.006 3.634 0.431
60 HB2 ARG 9 HB2 ARG 9 -8.688 4.300 2.025
61 HB3 ARG 9 HB3 ARG 9 -8.111 5.735 1.190
62 HG2 ARG 9 HG2 ARG 9 -10.089 5.941 -0.078
63 HG3 ARG 9 HG3 ARG 9 -10.569 4.273 0.235
64 HD2 ARG 9 HD2 ARG 9 -11.169 4.756 2.492
65 HD3 ARG 9 HD3 ARG 9 -10.340 6.326 2.453
66 HE ARG 9 HE ARG 9 -12.074 7.145 0.927
67 HH11 ARG 9 HH21 ARG 9 -13.266 5.377 3.335
68 HH12 ARG 9 HH22 ARG 9 -14.635 4.715 2.505
69 HH21 ARG 9 HH11 ARG 9 -13.541 5.705 -0.642
70 HH22 ARG 9 HH12 ARG 9 -14.796 4.910 0.249
71 H TRP 10 HN TRP 10 -8.166 2.599 -2.138
72 HA TRP 10 HA TRP 10 -10.503 0.975 -1.510
73 HB2 TRP 10 HB2 TRP 10 -8.471 1.267 -3.667
74 HB3 TRP 10 HB3 TRP 10 -9.180 -0.340 -3.525
75 HD1 TRP 10 HD1 TRP 10 -11.943 -0.420 -3.576
76 HE1 TRP 10 HE1 TRP 10 -13.580 1.026 -4.948
77 HE3 TRP 10 HE3 TRP 10 -8.893 3.509 -4.731
78 HZ2 TRP 10 HZ2 TRP 10 -13.592 3.521 -6.349
79 HZ3 TRP 10 HZ3 TRP 10 -9.742 5.405 -6.084
80 HH2 TRP 10 HH2 TRP 10 -12.085 5.415 -6.893
81 H PHE 11 HN PHE 11 -9.926 0.081 0.573
82 HA PHE 11 HA PHE 11 -8.954 -1.519 2.021
83 HB2 PHE 11 HB2 PHE 11 -9.259 -2.725 -0.461
84 HB3 PHE 11 HB3 PHE 11 -7.534 -2.935 -0.158
85 HD1 PHE 11 HD1 PHE 11 -10.936 -3.700 1.055
86 HD2 PHE 11 HD2 PHE 11 -6.729 -4.305 1.683
87 HE1 PHE 11 HE1 PHE 11 -11.436 -5.543 2.637
88 HE2 PHE 11 HE2 PHE 11 -7.230 -6.148 3.264
89 HZ PHE 11 HZ PHE 11 -9.583 -6.767 3.741
90 H TRP 12 HN TRP 12 -7.660 0.976 0.958
91 HA TRP 12 HA TRP 12 -5.611 2.106 0.905
92 HB2 TRP 12 HB2 TRP 12 -5.446 0.070 3.101
93 HB3 TRP 12 HB3 TRP 12 -4.112 1.181 2.809
94 HD1 TRP 12 HD1 TRP 12 -4.833 3.867 2.772
95 HE1 TRP 12 HE1 TRP 12 -6.544 5.089 4.266
96 HE3 TRP 12 HE3 TRP 12 -7.556 -0.118 4.435
97 HZ2 TRP 12 HZ2 TRP 12 -8.775 4.458 5.941
98 HZ3 TRP 12 HZ3 TRP 12 -9.469 0.220 5.973
99 HH2 TRP 12 HH2 TRP 12 -10.080 2.501 6.727
100 H PHE 13 HN PHE 13 -5.846 0.232 -1.133
101 HA PHE 13 HA PHE 13 -3.598 -1.564 -1.342
102 HB2 PHE 13 HB2 PHE 13 -5.842 -1.534 -2.590
103 HB3 PHE 13 HB3 PHE 13 -5.163 -0.233 -3.568
104 HD1 PHE 13 HD1 PHE 13 -4.834 -3.800 -2.635
105 HD2 PHE 13 HD2 PHE 13 -3.444 -0.657 -5.211
106 HE1 PHE 13 HE1 PHE 13 -3.667 -5.474 -4.048
107 HE2 PHE 13 HE2 PHE 13 -2.278 -2.330 -6.625
108 HZ PHE 13 HZ PHE 13 -2.389 -4.738 -6.042
109 H SER 14 HN SER 14 -4.237 1.705 -2.561
110 HA SER 14 HA SER 14 -1.691 2.100 -3.851
111 HB2 SER 14 HB2 SER 14 -3.941 3.400 -4.016
112 HB3 SER 14 HB3 SER 14 -3.391 4.250 -2.576
113 HG SER 14 HG SER 14 -2.591 5.441 -4.202
114 H LEU 15 HN LEU 15 -2.887 2.577 -0.593
115 HA LEU 15 HA LEU 15 -0.644 4.010 0.507
116 HB2 LEU 15 HB2 LEU 15 -2.966 3.781 1.457
117 HB3 LEU 15 HB3 LEU 15 -2.607 2.095 1.821
118 HG LEU 15 HG LEU 15 -0.502 3.827 2.819
119 HD11 LEU 15 HD11 LEU 15 -3.221 4.270 4.067
120 HD12 LEU 15 HD12 LEU 15 -2.529 5.389 2.893
121 HD13 LEU 15 HD13 LEU 15 -1.711 5.106 4.430
122 HD21 LEU 15 HD21 LEU 15 -0.783 2.505 4.776
123 HD22 LEU 15 HD22 LEU 15 -1.194 1.421 3.446
124 HD23 LEU 15 HD23 LEU 15 -2.474 2.167 4.401
125 H LEU 16 HN LEU 16 -1.470 0.533 0.317
126 HA LEU 16 HA LEU 16 0.785 -0.465 1.775
127 HB2 LEU 16 HB2 LEU 16 -1.438 -1.575 0.993
128 HB3 LEU 16 HB3 LEU 16 -0.582 -1.871 -0.520
129 HG LEU 16 HG LEU 16 0.875 -2.611 1.964
130 HD11 LEU 16 HD11 LEU 16 -1.498 -4.199 0.933
131 HD12 LEU 16 HD12 LEU 16 -1.405 -3.381 2.493
132 HD13 LEU 16 HD13 LEU 16 -0.350 -4.752 2.152
133 HD21 LEU 16 HD21 LEU 16 1.016 -4.724 0.281
134 HD22 LEU 16 HD22 LEU 16 2.066 -3.317 0.131
135 HD23 LEU 16 HD23 LEU 16 0.628 -3.456 -0.881
136 H LEU 17 HN LEU 17 0.293 0.212 -1.655
137 HA LEU 17 HA LEU 17 2.771 -0.817 -2.643
138 HB2 LEU 17 HB2 LEU 17 0.584 0.048 -3.809
139 HB3 LEU 17 HB3 LEU 17 1.388 1.618 -3.755
140 HG LEU 17 HG LEU 17 3.055 -0.629 -4.733
141 HD11 LEU 17 HD11 LEU 17 2.034 -0.760 -6.901
142 HD12 LEU 17 HD12 LEU 17 0.898 0.532 -6.512
143 HD13 LEU 17 HD13 LEU 17 0.751 -1.038 -5.723
144 HD21 LEU 17 HD21 LEU 17 3.454 1.985 -4.622
145 HD22 LEU 17 HD22 LEU 17 2.553 1.977 -6.138
146 HD23 LEU 17 HD23 LEU 17 4.051 1.057 -5.998
147 H LEU 18 HN LEU 18 1.890 2.212 -1.129
148 HA LEU 18 HA LEU 18 4.381 3.605 -1.673
149 HB2 LEU 18 HB2 LEU 18 1.995 4.480 -1.074
150 HB3 LEU 18 HB3 LEU 18 2.471 4.163 0.595
151 HG LEU 18 HG LEU 18 4.599 5.534 0.029
152 HD11 LEU 18 HD11 LEU 18 4.364 5.640 -2.375
153 HD12 LEU 18 HD12 LEU 18 4.130 7.270 -1.744
154 HD13 LEU 18 HD13 LEU 18 2.738 6.307 -2.236
155 HD21 LEU 18 HD21 LEU 18 3.421 7.640 0.553
156 HD22 LEU 18 HD22 LEU 18 2.784 6.313 1.523
157 HD23 LEU 18 HD23 LEU 18 1.883 6.892 0.122
158 H ALA 19 HN ALA 19 3.078 1.687 0.989
159 HA ALA 19 HA ALA 19 5.177 2.125 2.898
160 HB1 ALA 19 HB1 ALA 19 4.146 0.298 4.040
161 HB2 ALA 19 HB2 ALA 19 3.567 -0.413 2.533
162 HB3 ALA 19 HB3 ALA 19 2.835 1.070 3.146
163 H ALA 20 HN ALA 20 4.755 -0.291 0.305
164 HA ALA 20 HA ALA 20 7.057 -1.898 0.876
165 HB1 ALA 20 HB1 ALA 20 6.759 -2.517 -1.560
166 HB2 ALA 20 HB2 ALA 20 5.550 -1.239 -1.676
167 HB3 ALA 20 HB3 ALA 20 5.276 -2.618 -0.611
168 H GLY 21 HN GLY 21 6.623 1.023 -1.134
169 HA2 GLY 21 HA2 GLY 21 9.284 1.089 -2.208
170 HA3 GLY 21 HA3 GLY 21 8.198 2.476 -2.095
171 H VAL 22 HN VAL 22 7.844 2.451 0.751
172 HA VAL 22 HA VAL 22 10.086 4.000 1.628
173 HB VAL 22 HB VAL 22 7.931 2.499 3.166
174 HG11 VAL 22 HG11 VAL 22 9.701 4.815 4.018
175 HG12 VAL 22 HG12 VAL 22 9.813 3.160 4.620
176 HG13 VAL 22 HG13 VAL 22 8.381 4.128 4.966
177 HG21 VAL 22 HG21 VAL 22 7.697 4.611 1.354
178 HG22 VAL 22 HG22 VAL 22 7.708 5.405 2.929
179 HG23 VAL 22 HG23 VAL 22 6.510 4.159 2.578
180 H GLY 23 HN GLY 23 9.222 0.572 2.192
181 HA2 GLY 23 HA2 GLY 23 11.395 -0.048 3.949
182 HA3 GLY 23 HA3 GLY 23 10.508 -1.225 2.980
183 H ILE 24 HN ILE 24 11.079 -0.227 0.398
184 HA ILE 24 HA ILE 24 13.698 -1.353 -0.085
185 HB ILE 24 HB ILE 24 11.775 0.317 -1.750
186 HG12 ILE 24 HG12 ILE 24 10.920 -1.886 -1.030
187 HG13 ILE 24 HG13 ILE 24 11.214 -1.866 -2.767
188 HG21 ILE 24 HG21 ILE 24 13.851 0.598 -2.850
189 HG22 ILE 24 HG22 ILE 24 13.107 -0.767 -3.682
190 HG23 ILE 24 HG23 ILE 24 14.367 -1.048 -2.480
191 HD11 ILE 24 HD11 ILE 24 13.544 -2.828 -2.196
192 HD12 ILE 24 HD12 ILE 24 12.161 -3.912 -2.042
193 HD13 ILE 24 HD13 ILE 24 12.866 -3.174 -0.604
194 H TYR 25 HN TYR 25 12.492 2.000 0.224
195 HA TYR 25 HA TYR 25 14.883 3.333 -0.639
196 HB2 TYR 25 HB2 TYR 25 12.477 4.199 -0.128
197 HB3 TYR 25 HB3 TYR 25 13.049 4.337 1.536
198 HD1 TYR 25 HD1 TYR 25 14.827 5.910 2.140
199 HD2 TYR 25 HD2 TYR 25 13.415 5.595 -1.906
200 HE1 TYR 25 HE1 TYR 25 15.963 8.040 1.576
201 HE2 TYR 25 HE2 TYR 25 14.549 7.726 -2.468
202 HH TYR 25 HH TYR 25 15.345 9.925 -0.632
203 H LEU 26 HN LEU 26 14.008 1.728 2.361
204 HA LEU 26 HA LEU 26 16.209 2.869 3.931
205 HB2 LEU 26 HB2 LEU 26 14.229 0.595 4.276
206 HB3 LEU 26 HB3 LEU 26 15.438 0.990 5.497
207 HG LEU 26 HG LEU 26 13.722 3.203 4.436
208 HD11 LEU 26 HD11 LEU 26 12.180 1.295 4.958
209 HD12 LEU 26 HD12 LEU 26 11.947 2.690 6.011
210 HD13 LEU 26 HD13 LEU 26 12.824 1.278 6.599
211 HD21 LEU 26 HD21 LEU 26 14.043 4.059 6.700
212 HD22 LEU 26 HD22 LEU 26 15.607 3.576 6.043
213 HD23 LEU 26 HD23 LEU 26 14.778 2.537 7.204
214 H LEU 27 HN LEU 27 15.728 0.200 1.724
215 HA LEU 27 HA LEU 27 18.539 -0.707 2.211
216 HB2 LEU 27 HB2 LEU 27 16.536 -2.082 3.205
217 HB3 LEU 27 HB3 LEU 27 16.285 -2.590 1.535
218 HG LEU 27 HG LEU 27 18.926 -3.014 1.669
219 HD11 LEU 27 HD11 LEU 27 19.522 -3.911 3.895
220 HD12 LEU 27 HD12 LEU 27 17.951 -3.404 4.516
221 HD13 LEU 27 HD13 LEU 27 19.122 -2.196 3.984
222 HD21 LEU 27 HD21 LEU 27 17.053 -4.655 1.190
223 HD22 LEU 27 HD22 LEU 27 16.963 -4.952 2.925
224 HD23 LEU 27 HD23 LEU 27 18.435 -5.345 2.038
225 HA PRO 28 HA PRO 28 17.460 -0.342 -2.322
226 HB2 PRO 28 HB2 PRO 28 18.254 2.214 -2.913
227 HB3 PRO 28 HB3 PRO 28 16.615 1.800 -2.377
228 HG2 PRO 28 HG2 PRO 28 18.699 3.242 -0.953
229 HG3 PRO 28 HG3 PRO 28 16.980 3.101 -0.589
230 HD2 PRO 28 HD2 PRO 28 19.202 1.673 0.603
231 HD3 PRO 28 HD3 PRO 28 17.502 1.691 1.087
232 H ASN 29 HN ASN 29 20.277 0.596 -0.460
233 HA ASN 29 HA ASN 29 22.111 0.296 -2.778
234 HB2 ASN 29 HB2 ASN 29 22.209 2.086 -0.925
235 HB3 ASN 29 HB3 ASN 29 22.788 0.796 0.128
236 HD21 ASN 29 HD21 ASN 29 24.861 -0.290 -0.522
237 HD22 ASN 29 HD22 ASN 29 25.972 0.551 -1.490
238 H ARG 30 HN ARG 30 21.278 -1.309 0.291
239 HA ARG 30 HA ARG 30 23.245 -3.474 -0.220
240 HB2 ARG 30 HB2 ARG 30 22.861 -2.318 2.015
241 HB3 ARG 30 HB3 ARG 30 21.280 -3.099 2.060
242 HG2 ARG 30 HG2 ARG 30 23.658 -4.823 1.517
243 HG3 ARG 30 HG3 ARG 30 23.428 -4.239 3.166
244 HD2 ARG 30 HD2 ARG 30 20.916 -5.047 2.723
245 HD3 ARG 30 HD3 ARG 30 21.735 -6.127 1.576
246 HE ARG 30 HE ARG 30 22.223 -6.049 4.513
247 HH11 ARG 30 HH11 ARG 30 24.728 -6.569 2.909
248 HH12 ARG 30 HH12 ARG 30 24.735 -8.298 2.815
249 HH21 ARG 30 HH21 ARG 30 21.395 -8.618 3.727
250 HH22 ARG 30 HH22 ARG 30 22.839 -9.464 3.280
Start of MODEL 6
1 HA HIS 1 HA HIS 1 -19.353 -4.061 5.658
2 HB2 HIS 1 HB2 HIS 1 -17.230 -6.197 5.360
3 HB3 HIS 1 HB3 HIS 1 -18.220 -6.079 6.813
4 HD1 HIS 1 HD1 HIS 1 -18.320 -7.149 3.259
5 HD2 HIS 1 HD2 HIS 1 -21.051 -6.539 6.351
6 HE1 HIS 1 HE1 HIS 1 -20.491 -8.227 2.523
7 H SER 2 HN SER 2 -18.994 -2.640 7.301
8 HA SER 2 HA SER 2 -17.899 -1.253 8.846
9 HB2 SER 2 HB2 SER 2 -16.587 -2.488 10.319
10 HB3 SER 2 HB3 SER 2 -17.407 -3.778 9.451
11 HG SER 2 HG SER 2 -15.291 -4.310 9.372
12 H VAL 3 HN VAL 3 -17.186 -0.764 6.045
13 HA VAL 3 HA VAL 3 -14.336 0.134 6.362
14 HB VAL 3 HB VAL 3 -15.888 -0.382 3.802
15 HG11 VAL 3 HG11 VAL 3 -14.028 0.985 3.297
16 HG12 VAL 3 HG12 VAL 3 -13.438 -0.648 2.990
17 HG13 VAL 3 HG13 VAL 3 -13.002 0.181 4.484
18 HG21 VAL 3 HG21 VAL 3 -15.745 -2.566 4.458
19 HG22 VAL 3 HG22 VAL 3 -14.510 -2.225 5.667
20 HG23 VAL 3 HG23 VAL 3 -14.059 -2.405 3.971
21 H SER 4 HN SER 4 -16.873 1.566 7.199
22 HA SER 4 HA SER 4 -17.483 3.672 5.346
23 HB2 SER 4 HB2 SER 4 -17.916 2.997 8.195
24 HB3 SER 4 HB3 SER 4 -17.995 4.715 7.816
25 HG SER 4 HG SER 4 -19.723 4.379 6.601
26 H HIS 5 HN HIS 5 -15.115 3.377 7.936
27 HA HIS 5 HA HIS 5 -13.914 6.005 7.128
28 HB2 HIS 5 HB2 HIS 5 -14.720 4.893 9.612
29 HB3 HIS 5 HB3 HIS 5 -12.958 4.923 9.635
30 HD1 HIS 5 HD1 HIS 5 -15.899 7.251 8.998
31 HD2 HIS 5 HD2 HIS 5 -11.865 7.452 10.030
32 HE1 HIS 5 HE1 HIS 5 -15.418 9.679 9.542
33 H ALA 6 HN ALA 6 -13.432 3.411 5.761
34 HA ALA 6 HA ALA 6 -11.638 2.088 4.986
35 HB1 ALA 6 HB1 ALA 6 -10.979 4.492 4.518
36 HB2 ALA 6 HB2 ALA 6 -9.621 3.376 4.660
37 HB3 ALA 6 HB3 ALA 6 -10.025 4.446 6.001
38 H ARG 7 HN ARG 7 -12.450 1.408 7.641
39 HA ARG 7 HA ARG 7 -10.310 1.326 9.543
40 HB2 ARG 7 HB2 ARG 7 -12.963 0.684 9.495
41 HB3 ARG 7 HB3 ARG 7 -12.242 -0.925 9.488
42 HG2 ARG 7 HG2 ARG 7 -11.367 1.213 11.439
43 HG3 ARG 7 HG3 ARG 7 -12.697 0.111 11.792
44 HD2 ARG 7 HD2 ARG 7 -11.044 -1.242 12.627
45 HD3 ARG 7 HD3 ARG 7 -10.747 -1.637 10.922
46 HE ARG 7 HE ARG 7 -8.987 0.077 10.888
47 HH11 ARG 7 HH11 ARG 7 -10.040 1.784 13.144
48 HH12 ARG 7 HH12 ARG 7 -8.919 1.426 14.414
49 HH21 ARG 7 HH21 ARG 7 -7.681 -1.432 12.870
50 HH22 ARG 7 HH22 ARG 7 -7.577 -0.402 14.258
51 HA PRO 8 HA PRO 8 -9.249 -3.015 7.854
52 HB2 PRO 8 HB2 PRO 8 -10.399 -3.849 5.513
53 HB3 PRO 8 HB3 PRO 8 -11.127 -4.139 7.104
54 HG2 PRO 8 HG2 PRO 8 -11.811 -2.105 5.052
55 HG3 PRO 8 HG3 PRO 8 -12.866 -3.005 6.152
56 HD2 PRO 8 HD2 PRO 8 -12.096 -0.397 6.527
57 HD3 PRO 8 HD3 PRO 8 -12.619 -1.487 7.828
58 H ARG 9 HN ARG 9 -8.418 -3.827 5.307
59 HA ARG 9 HA ARG 9 -6.672 -1.553 4.517
60 HB2 ARG 9 HB2 ARG 9 -6.680 -4.527 3.913
61 HB3 ARG 9 HB3 ARG 9 -5.443 -3.404 3.351
62 HG2 ARG 9 HG2 ARG 9 -5.808 -2.985 6.160
63 HG3 ARG 9 HG3 ARG 9 -5.606 -4.714 5.885
64 HD2 ARG 9 HD2 ARG 9 -3.505 -4.361 4.732
65 HD3 ARG 9 HD3 ARG 9 -3.740 -2.601 4.750
66 HE ARG 9 HE ARG 9 -3.289 -2.591 7.111
67 HH11 ARG 9 HH11 ARG 9 -1.101 -4.458 6.503
68 HH12 ARG 9 HH12 ARG 9 -1.424 -5.804 7.542
69 HH21 ARG 9 HH21 ARG 9 -4.725 -4.888 8.136
70 HH22 ARG 9 HH22 ARG 9 -3.484 -6.048 8.474
71 H TRP 10 HN TRP 10 -9.648 -2.052 3.635
72 HA TRP 10 HA TRP 10 -9.658 -2.640 0.821
73 HB2 TRP 10 HB2 TRP 10 -11.570 -2.543 2.558
74 HB3 TRP 10 HB3 TRP 10 -11.560 -0.799 2.291
75 HD1 TRP 10 HD1 TRP 10 -11.839 -0.050 -0.390
76 HE1 TRP 10 HE1 TRP 10 -13.388 -1.083 -2.174
77 HE3 TRP 10 HE3 TRP 10 -12.750 -4.592 1.758
78 HZ2 TRP 10 HZ2 TRP 10 -14.826 -3.515 -2.628
79 HZ3 TRP 10 HZ3 TRP 10 -14.213 -6.246 0.631
80 HH2 TRP 10 HH2 TRP 10 -15.250 -5.713 -1.557
81 H PHE 11 HN PHE 11 -9.663 0.490 2.585
82 HA PHE 11 HA PHE 11 -9.149 1.959 0.060
83 HB2 PHE 11 HB2 PHE 11 -9.953 2.550 2.878
84 HB3 PHE 11 HB3 PHE 11 -9.148 3.837 1.982
85 HD1 PHE 11 HD2 PHE 11 -10.064 4.414 -0.366
86 HD2 PHE 11 HD1 PHE 11 -12.243 2.112 2.533
87 HE1 PHE 11 HE2 PHE 11 -12.178 4.905 -1.564
88 HE2 PHE 11 HE1 PHE 11 -14.357 2.603 1.336
89 HZ PHE 11 HZ PHE 11 -14.325 3.999 -0.714
90 H TRP 12 HN TRP 12 -7.154 0.174 1.879
91 HA TRP 12 HA TRP 12 -4.964 2.196 2.094
92 HB2 TRP 12 HB2 TRP 12 -5.681 -0.416 3.383
93 HB3 TRP 12 HB3 TRP 12 -3.987 0.059 3.339
94 HD1 TRP 12 HD1 TRP 12 -7.400 1.353 4.581
95 HE1 TRP 12 HE1 TRP 12 -6.986 2.950 6.563
96 HE3 TRP 12 HE3 TRP 12 -2.294 1.503 4.545
97 HZ2 TRP 12 HZ2 TRP 12 -4.781 4.134 7.948
98 HZ3 TRP 12 HZ3 TRP 12 -1.064 2.872 6.204
99 HH2 TRP 12 HH2 TRP 12 -2.300 4.185 7.905
100 H PHE 13 HN PHE 13 -6.031 0.412 -0.346
101 HA PHE 13 HA PHE 13 -3.921 -1.371 -1.077
102 HB2 PHE 13 HB2 PHE 13 -6.044 -1.477 -2.187
103 HB3 PHE 13 HB3 PHE 13 -5.974 0.232 -2.618
104 HD1 PHE 13 HD2 PHE 13 -4.039 -2.951 -3.095
105 HD2 PHE 13 HD1 PHE 13 -5.232 0.829 -4.752
106 HE1 PHE 13 HE2 PHE 13 -2.914 -3.530 -5.227
107 HE2 PHE 13 HE1 PHE 13 -4.106 0.250 -6.884
108 HZ PHE 13 HZ PHE 13 -2.947 -1.929 -7.122
109 H SER 14 HN SER 14 -4.510 1.976 -2.130
110 HA SER 14 HA SER 14 -2.076 2.328 -3.585
111 HB2 SER 14 HB2 SER 14 -4.271 3.737 -3.424
112 HB3 SER 14 HB3 SER 14 -3.484 4.510 -2.051
113 HG SER 14 HG SER 14 -2.756 5.706 -3.674
114 H LEU 15 HN LEU 15 -2.856 2.673 -0.180
115 HA LEU 15 HA LEU 15 -0.391 3.950 0.642
116 HB2 LEU 15 HB2 LEU 15 -2.835 3.415 1.746
117 HB3 LEU 15 HB3 LEU 15 -1.859 2.168 2.518
118 HG LEU 15 HG LEU 15 -1.895 4.227 3.876
119 HD11 LEU 15 HD11 LEU 15 0.197 2.714 3.582
120 HD12 LEU 15 HD12 LEU 15 0.410 4.293 4.340
121 HD13 LEU 15 HD13 LEU 15 0.852 4.060 2.648
122 HD21 LEU 15 HD21 LEU 15 -1.025 6.312 3.058
123 HD22 LEU 15 HD22 LEU 15 -2.185 5.747 1.857
124 HD23 LEU 15 HD23 LEU 15 -0.455 5.561 1.567
125 H LEU 16 HN LEU 16 -1.501 0.560 0.459
126 HA LEU 16 HA LEU 16 0.810 -0.666 1.631
127 HB2 LEU 16 HB2 LEU 16 -1.562 -1.574 1.043
128 HB3 LEU 16 HB3 LEU 16 -0.888 -1.860 -0.561
129 HG LEU 16 HG LEU 16 0.847 -2.820 1.608
130 HD11 LEU 16 HD11 LEU 16 -1.328 -3.283 2.664
131 HD12 LEU 16 HD12 LEU 16 -0.567 -4.784 2.134
132 HD13 LEU 16 HD13 LEU 16 -1.881 -4.081 1.191
133 HD21 LEU 16 HD21 LEU 16 1.141 -4.656 0.122
134 HD22 LEU 16 HD22 LEU 16 0.945 -3.254 -0.930
135 HD23 LEU 16 HD23 LEU 16 -0.404 -4.360 -0.674
136 H LEU 17 HN LEU 17 0.006 0.202 -1.692
137 HA LEU 17 HA LEU 17 2.292 -0.943 -2.981
138 HB2 LEU 17 HB2 LEU 17 0.023 0.119 -3.835
139 HB3 LEU 17 HB3 LEU 17 0.980 1.598 -3.904
140 HG LEU 17 HG LEU 17 2.232 -0.829 -5.076
141 HD11 LEU 17 HD11 LEU 17 0.135 0.660 -6.656
142 HD12 LEU 17 HD12 LEU 17 -0.263 -0.800 -5.750
143 HD13 LEU 17 HD13 LEU 17 0.927 -0.867 -7.049
144 HD21 LEU 17 HD21 LEU 17 3.357 1.345 -5.137
145 HD22 LEU 17 HD22 LEU 17 1.955 2.074 -5.920
146 HD23 LEU 17 HD23 LEU 17 2.914 0.867 -6.776
147 H LEU 18 HN LEU 18 1.784 2.038 -1.239
148 HA LEU 18 HA LEU 18 4.302 3.288 -2.044
149 HB2 LEU 18 HB2 LEU 18 2.041 4.338 -1.281
150 HB3 LEU 18 HB3 LEU 18 2.609 3.986 0.351
151 HG LEU 18 HG LEU 18 4.810 5.179 -0.466
152 HD11 LEU 18 HD11 LEU 18 2.690 6.182 -2.385
153 HD12 LEU 18 HD12 LEU 18 4.246 5.459 -2.789
154 HD13 LEU 18 HD13 LEU 18 4.182 7.059 -2.051
155 HD21 LEU 18 HD21 LEU 18 3.917 7.309 0.364
156 HD22 LEU 18 HD22 LEU 18 3.275 5.977 1.324
157 HD23 LEU 18 HD23 LEU 18 2.268 6.743 0.097
158 H ALA 19 HN ALA 19 3.097 1.391 0.665
159 HA ALA 19 HA ALA 19 5.230 1.737 2.519
160 HB1 ALA 19 HB1 ALA 19 3.714 -0.836 2.037
161 HB2 ALA 19 HB2 ALA 19 2.929 0.584 2.728
162 HB3 ALA 19 HB3 ALA 19 4.278 -0.177 3.573
163 H ALA 20 HN ALA 20 4.873 -0.550 -0.205
164 HA ALA 20 HA ALA 20 7.235 -2.100 0.273
165 HB1 ALA 20 HB1 ALA 20 5.372 -2.676 -1.269
166 HB2 ALA 20 HB2 ALA 20 6.928 -2.722 -2.098
167 HB3 ALA 20 HB3 ALA 20 5.848 -1.346 -2.325
168 H GLY 21 HN GLY 21 6.705 0.897 -1.603
169 HA2 GLY 21 HA2 GLY 21 9.374 1.104 -2.641
170 HA3 GLY 21 HA3 GLY 21 8.232 2.440 -2.498
171 H VAL 22 HN VAL 22 7.838 2.348 0.327
172 HA VAL 22 HA VAL 22 10.044 3.922 1.268
173 HB VAL 22 HB VAL 22 7.790 2.431 2.655
174 HG11 VAL 22 HG11 VAL 22 9.852 4.360 3.736
175 HG12 VAL 22 HG12 VAL 22 9.408 2.775 4.368
176 HG13 VAL 22 HG13 VAL 22 8.290 4.130 4.520
177 HG21 VAL 22 HG21 VAL 22 6.758 4.660 2.752
178 HG22 VAL 22 HG22 VAL 22 7.142 4.245 1.082
179 HG23 VAL 22 HG23 VAL 22 8.174 5.365 1.970
180 H GLY 23 HN GLY 23 9.211 0.476 1.739
181 HA2 GLY 23 HA2 GLY 23 11.295 -0.154 3.590
182 HA3 GLY 23 HA3 GLY 23 10.500 -1.318 2.529
183 H ILE 24 HN ILE 24 11.213 -0.217 0.018
184 HA ILE 24 HA ILE 24 13.880 -1.276 -0.324
185 HB ILE 24 HB ILE 24 12.072 0.440 -2.074
186 HG12 ILE 24 HG12 ILE 24 12.651 -2.482 -2.479
187 HG13 ILE 24 HG13 ILE 24 11.480 -2.005 -1.250
188 HG21 ILE 24 HG21 ILE 24 14.303 0.684 -2.932
189 HG22 ILE 24 HG22 ILE 24 13.507 -0.524 -3.941
190 HG23 ILE 24 HG23 ILE 24 14.648 -1.029 -2.696
191 HD11 ILE 24 HD11 ILE 24 11.357 -1.636 -4.225
192 HD12 ILE 24 HD12 ILE 24 10.515 -0.491 -3.181
193 HD13 ILE 24 HD13 ILE 24 10.107 -2.205 -3.119
194 H TYR 25 HN TYR 25 12.591 2.052 -0.011
195 HA TYR 25 HA TYR 25 15.051 3.416 -0.632
196 HB2 TYR 25 HB2 TYR 25 12.606 4.274 -0.395
197 HB3 TYR 25 HB3 TYR 25 12.971 4.389 1.329
198 HD1 TYR 25 HD2 TYR 25 13.770 5.685 -2.029
199 HD2 TYR 25 HD1 TYR 25 14.637 5.967 2.170
200 HE1 TYR 25 HE2 TYR 25 14.963 7.824 -2.419
201 HE2 TYR 25 HE1 TYR 25 15.831 8.105 1.778
202 HH TYR 25 HH TYR 25 17.066 9.090 -0.710
203 H LEU 26 HN LEU 26 13.877 1.777 2.241
204 HA LEU 26 HA LEU 26 15.878 2.927 4.051
205 HB2 LEU 26 HB2 LEU 26 13.595 1.061 4.093
206 HB3 LEU 26 HB3 LEU 26 14.909 0.572 5.160
207 HG LEU 26 HG LEU 26 13.324 2.019 6.360
208 HD11 LEU 26 HD11 LEU 26 14.929 3.358 7.398
209 HD12 LEU 26 HD12 LEU 26 15.731 3.751 5.878
210 HD13 LEU 26 HD13 LEU 26 15.937 2.154 6.596
211 HD21 LEU 26 HD21 LEU 26 14.016 4.021 4.187
212 HD22 LEU 26 HD22 LEU 26 13.134 4.418 5.662
213 HD23 LEU 26 HD23 LEU 26 12.435 3.301 4.490
214 H LEU 27 HN LEU 27 15.611 0.216 1.838
215 HA LEU 27 HA LEU 27 18.385 -0.652 2.580
216 HB2 LEU 27 HB2 LEU 27 16.281 -2.051 3.297
217 HB3 LEU 27 HB3 LEU 27 16.240 -2.525 1.598
218 HG LEU 27 HG LEU 27 18.947 -2.730 2.451
219 HD11 LEU 27 HD11 LEU 27 17.044 -4.205 4.293
220 HD12 LEU 27 HD12 LEU 27 17.973 -2.782 4.763
221 HD13 LEU 27 HD13 LEU 27 18.806 -4.272 4.321
222 HD21 LEU 27 HD21 LEU 27 18.433 -5.209 2.073
223 HD22 LEU 27 HD22 LEU 27 18.065 -4.131 0.726
224 HD23 LEU 27 HD23 LEU 27 16.767 -4.715 1.767
225 HA PRO 28 HA PRO 28 17.848 -0.186 -2.036
226 HB2 PRO 28 HB2 PRO 28 18.720 2.375 -2.472
227 HB3 PRO 28 HB3 PRO 28 17.028 1.961 -2.147
228 HG2 PRO 28 HG2 PRO 28 18.928 3.361 -0.453
229 HG3 PRO 28 HG3 PRO 28 17.178 3.220 -0.299
230 HD2 PRO 28 HD2 PRO 28 19.241 1.754 1.117
231 HD3 PRO 28 HD3 PRO 28 17.494 1.772 1.397
232 H ASN 29 HN ASN 29 20.435 0.699 0.167
233 HA ASN 29 HA ASN 29 22.527 0.446 -1.922
234 HB2 ASN 29 HB2 ASN 29 22.303 1.344 0.925
235 HB3 ASN 29 HB3 ASN 29 23.882 0.802 0.357
236 HD21 ASN 29 HD21 ASN 29 21.218 3.050 -0.580
237 HD22 ASN 29 HD22 ASN 29 22.242 4.185 -1.317
238 H ARG 30 HN ARG 30 20.859 -1.622 0.256
239 HA ARG 30 HA ARG 30 21.210 -3.849 0.926
240 HB2 ARG 30 HB2 ARG 30 23.092 -3.656 -1.453
241 HB3 ARG 30 HB3 ARG 30 22.569 -5.166 -0.712
242 HG2 ARG 30 HG2 ARG 30 20.153 -4.098 -1.105
243 HG3 ARG 30 HG3 ARG 30 21.013 -3.236 -2.381
244 HD2 ARG 30 HD2 ARG 30 21.173 -6.250 -2.055
245 HD3 ARG 30 HD3 ARG 30 19.990 -5.452 -3.111
246 HE ARG 30 HE ARG 30 22.951 -5.069 -3.409
247 HH11 ARG 30 HH11 ARG 30 21.173 -3.161 -4.872
248 HH12 ARG 30 HH12 ARG 30 21.002 -3.926 -6.417
249 HH21 ARG 30 HH21 ARG 30 22.117 -7.022 -5.300
250 HH22 ARG 30 HH22 ARG 30 21.538 -6.121 -6.660
Start of MODEL 7
1 HA HIS 1 HA HIS 1 -14.825 -8.095 11.452
2 HB2 HIS 1 HB2 HIS 1 -15.921 -7.393 9.316
3 HB3 HIS 1 HB3 HIS 1 -16.973 -8.398 10.310
4 HD1 HIS 1 HD1 HIS 1 -16.459 -4.804 9.244
5 HD2 HIS 1 HD2 HIS 1 -19.308 -7.113 11.229
6 HE1 HIS 1 HE1 HIS 1 -18.512 -3.344 9.502
7 H SER 2 HN SER 2 -13.304 -6.769 10.238
8 HA SER 2 HA SER 2 -13.484 -3.825 10.476
9 HB2 SER 2 HB2 SER 2 -12.488 -5.083 12.600
10 HB3 SER 2 HB3 SER 2 -11.034 -5.138 11.608
11 HG SER 2 HG SER 2 -12.430 -2.940 12.659
12 H VAL 3 HN VAL 3 -13.523 -5.111 8.099
13 HA VAL 3 HA VAL 3 -12.453 -5.265 6.008
14 HB VAL 3 HB VAL 3 -10.398 -3.481 7.357
15 HG11 VAL 3 HG11 VAL 3 -10.548 -2.481 4.934
16 HG12 VAL 3 HG12 VAL 3 -11.208 -4.063 4.520
17 HG13 VAL 3 HG13 VAL 3 -9.591 -3.935 5.210
18 HG21 VAL 3 HG21 VAL 3 -13.176 -2.909 6.319
19 HG22 VAL 3 HG22 VAL 3 -11.941 -1.650 6.354
20 HG23 VAL 3 HG23 VAL 3 -12.456 -2.422 7.854
21 H SER 4 HN SER 4 -11.593 -7.139 8.331
22 HA SER 4 HA SER 4 -8.798 -7.758 7.580
23 HB2 SER 4 HB2 SER 4 -10.506 -8.087 9.848
24 HB3 SER 4 HB3 SER 4 -9.979 -9.687 9.332
25 HG SER 4 HG SER 4 -8.537 -7.571 10.384
26 H HIS 5 HN HIS 5 -12.026 -9.132 7.300
27 HA HIS 5 HA HIS 5 -10.942 -11.216 5.433
28 HB2 HIS 5 HB2 HIS 5 -12.966 -12.522 6.162
29 HB3 HIS 5 HB3 HIS 5 -11.839 -12.177 7.466
30 HD1 HIS 5 HD1 HIS 5 -13.293 -11.858 9.480
31 HD2 HIS 5 HD2 HIS 5 -14.769 -9.793 6.171
32 HE1 HIS 5 HE1 HIS 5 -15.260 -10.491 10.305
33 H ALA 6 HN ALA 6 -12.247 -8.325 5.167
34 HA ALA 6 HA ALA 6 -14.385 -9.062 3.205
35 HB1 ALA 6 HB1 ALA 6 -15.012 -6.643 3.529
36 HB2 ALA 6 HB2 ALA 6 -13.699 -6.508 4.698
37 HB3 ALA 6 HB3 ALA 6 -15.058 -7.583 5.020
38 H ARG 7 HN ARG 7 -11.739 -9.457 2.315
39 HA ARG 7 HA ARG 7 -10.289 -8.897 0.540
40 HB2 ARG 7 HB2 ARG 7 -12.914 -8.488 -0.208
41 HB3 ARG 7 HB3 ARG 7 -12.176 -6.937 -0.603
42 HG2 ARG 7 HG2 ARG 7 -10.415 -8.109 -1.889
43 HG3 ARG 7 HG3 ARG 7 -11.180 -9.653 -1.513
44 HD2 ARG 7 HD2 ARG 7 -12.911 -7.540 -2.737
45 HD3 ARG 7 HD3 ARG 7 -11.744 -8.365 -3.790
46 HE ARG 7 HE ARG 7 -12.744 -10.530 -2.739
47 HH11 ARG 7 HH11 ARG 7 -14.321 -9.515 -5.047
48 HH12 ARG 7 HH12 ARG 7 -15.923 -9.415 -4.397
49 HH21 ARG 7 HH21 ARG 7 -14.869 -9.567 -1.087
50 HH22 ARG 7 HH22 ARG 7 -16.234 -9.444 -2.145
51 HA PRO 8 HA PRO 8 -9.109 -4.945 2.614
52 HB2 PRO 8 HB2 PRO 8 -6.519 -5.676 3.118
53 HB3 PRO 8 HB3 PRO 8 -7.866 -6.060 4.208
54 HG2 PRO 8 HG2 PRO 8 -6.478 -7.792 2.230
55 HG3 PRO 8 HG3 PRO 8 -7.121 -8.193 3.831
56 HD2 PRO 8 HD2 PRO 8 -8.380 -8.806 1.478
57 HD3 PRO 8 HD3 PRO 8 -9.219 -8.592 3.029
58 H ARG 9 HN ARG 9 -9.348 -4.086 0.390
59 HA ARG 9 HA ARG 9 -6.737 -3.452 -0.816
60 HB2 ARG 9 HB2 ARG 9 -7.744 -4.236 -3.103
61 HB3 ARG 9 HB3 ARG 9 -7.098 -5.452 -2.006
62 HG2 ARG 9 HG2 ARG 9 -9.193 -6.257 -1.433
63 HG3 ARG 9 HG3 ARG 9 -9.992 -4.723 -1.762
64 HD2 ARG 9 HD2 ARG 9 -8.724 -5.949 -4.135
65 HD3 ARG 9 HD3 ARG 9 -10.076 -6.877 -3.459
66 HE ARG 9 HE ARG 9 -10.978 -4.242 -3.440
67 HH11 ARG 9 HH11 ARG 9 -9.138 -4.097 -5.890
68 HH12 ARG 9 HH12 ARG 9 -10.262 -4.439 -7.163
69 HH21 ARG 9 HH21 ARG 9 -12.699 -5.691 -5.025
70 HH22 ARG 9 HH22 ARG 9 -12.286 -5.344 -6.670
71 H TRP 10 HN TRP 10 -9.029 -2.971 -3.200
72 HA TRP 10 HA TRP 10 -9.741 -0.880 -4.070
73 HB2 TRP 10 HB2 TRP 10 -11.739 -0.128 -2.603
74 HB3 TRP 10 HB3 TRP 10 -11.774 -1.750 -3.276
75 HD1 TRP 10 HD1 TRP 10 -11.398 -3.791 -1.603
76 HE1 TRP 10 HE1 TRP 10 -11.679 -3.991 0.949
77 HE3 TRP 10 HE3 TRP 10 -11.528 1.159 -0.334
78 HZ2 TRP 10 HZ2 TRP 10 -11.936 -2.284 3.223
79 HZ3 TRP 10 HZ3 TRP 10 -11.800 1.839 2.031
80 HH2 TRP 10 HH2 TRP 10 -12.004 0.125 3.812
81 H PHE 11 HN PHE 11 -7.891 0.472 -3.918
82 HA PHE 11 HA PHE 11 -6.966 2.585 -3.402
83 HB2 PHE 11 HB2 PHE 11 -9.455 2.917 -2.576
84 HB3 PHE 11 HB3 PHE 11 -8.720 2.810 -0.976
85 HD1 PHE 11 HD1 PHE 11 -7.116 4.486 -0.200
86 HD2 PHE 11 HD2 PHE 11 -8.917 4.764 -4.091
87 HE1 PHE 11 HE1 PHE 11 -6.330 6.829 -0.397
88 HE2 PHE 11 HE2 PHE 11 -8.134 7.107 -4.286
89 HZ PHE 11 HZ PHE 11 -6.840 8.140 -2.439
90 H TRP 12 HN TRP 12 -7.649 0.494 -0.549
91 HA TRP 12 HA TRP 12 -5.523 1.386 1.101
92 HB2 TRP 12 HB2 TRP 12 -7.274 -0.093 1.911
93 HB3 TRP 12 HB3 TRP 12 -6.818 -1.332 0.743
94 HD1 TRP 12 HD1 TRP 12 -5.074 -3.041 1.473
95 HE1 TRP 12 HE1 TRP 12 -3.474 -3.284 3.479
96 HE3 TRP 12 HE3 TRP 12 -5.793 1.482 3.730
97 HZ2 TRP 12 HZ2 TRP 12 -2.615 -1.764 5.744
98 HZ3 TRP 12 HZ3 TRP 12 -4.573 2.058 5.809
99 HH2 TRP 12 HH2 TRP 12 -2.985 0.443 6.817
100 H PHE 13 HN PHE 13 -5.541 -0.913 -1.565
101 HA PHE 13 HA PHE 13 -2.976 -2.063 -1.271
102 HB2 PHE 13 HB2 PHE 13 -4.931 -2.492 -2.943
103 HB3 PHE 13 HB3 PHE 13 -4.145 -1.258 -3.930
104 HD1 PHE 13 HD1 PHE 13 -3.751 -4.600 -2.388
105 HD2 PHE 13 HD2 PHE 13 -2.029 -1.671 -5.015
106 HE1 PHE 13 HE1 PHE 13 -2.115 -6.283 -3.191
107 HE2 PHE 13 HE2 PHE 13 -0.394 -3.353 -5.819
108 HZ PHE 13 HZ PHE 13 -0.436 -5.659 -4.907
109 H SER 14 HN SER 14 -3.951 1.045 -2.601
110 HA SER 14 HA SER 14 -1.423 1.839 -3.710
111 HB2 SER 14 HB2 SER 14 -3.557 3.604 -2.482
112 HB3 SER 14 HB3 SER 14 -2.444 4.026 -3.780
113 HG SER 14 HG SER 14 -3.660 2.974 -5.167
114 H LEU 15 HN LEU 15 -2.864 2.116 -0.507
115 HA LEU 15 HA LEU 15 -0.845 3.765 0.720
116 HB2 LEU 15 HB2 LEU 15 -3.202 3.182 1.521
117 HB3 LEU 15 HB3 LEU 15 -2.560 1.612 2.004
118 HG LEU 15 HG LEU 15 -1.016 3.971 2.930
119 HD11 LEU 15 HD11 LEU 15 -3.355 4.743 3.216
120 HD12 LEU 15 HD12 LEU 15 -2.579 4.435 4.769
121 HD13 LEU 15 HD13 LEU 15 -3.723 3.266 4.107
122 HD21 LEU 15 HD21 LEU 15 -1.679 1.203 3.753
123 HD22 LEU 15 HD22 LEU 15 -1.519 2.357 5.077
124 HD23 LEU 15 HD23 LEU 15 -0.180 2.109 3.958
125 H LEU 16 HN LEU 16 -1.263 0.223 0.449
126 HA LEU 16 HA LEU 16 1.056 -0.513 1.976
127 HB2 LEU 16 HB2 LEU 16 -1.038 -1.839 1.064
128 HB3 LEU 16 HB3 LEU 16 -0.007 -2.106 -0.342
129 HG LEU 16 HG LEU 16 1.175 -2.607 2.356
130 HD11 LEU 16 HD11 LEU 16 -0.580 -4.650 0.974
131 HD12 LEU 16 HD12 LEU 16 -1.149 -3.651 2.310
132 HD13 LEU 16 HD13 LEU 16 0.183 -4.779 2.558
133 HD21 LEU 16 HD21 LEU 16 1.500 -3.506 -0.475
134 HD22 LEU 16 HD22 LEU 16 1.928 -4.655 0.793
135 HD23 LEU 16 HD23 LEU 16 2.730 -3.087 0.717
136 H LEU 17 HN LEU 17 0.555 0.271 -1.418
137 HA LEU 17 HA LEU 17 3.126 -0.499 -2.425
138 HB2 LEU 17 HB2 LEU 17 0.924 0.197 -3.618
139 HB3 LEU 17 HB3 LEU 17 1.491 1.851 -3.385
140 HG LEU 17 HG LEU 17 3.717 0.963 -4.440
141 HD11 LEU 17 HD11 LEU 17 1.685 -1.148 -5.170
142 HD12 LEU 17 HD12 LEU 17 3.323 -1.368 -4.557
143 HD13 LEU 17 HD13 LEU 17 3.068 -0.810 -6.211
144 HD21 LEU 17 HD21 LEU 17 2.957 1.675 -6.599
145 HD22 LEU 17 HD22 LEU 17 2.003 2.582 -5.425
146 HD23 LEU 17 HD23 LEU 17 1.297 1.192 -6.249
147 H LEU 18 HN LEU 18 1.909 2.426 -0.904
148 HA LEU 18 HA LEU 18 4.230 4.085 -1.253
149 HB2 LEU 18 HB2 LEU 18 1.825 4.695 -0.596
150 HB3 LEU 18 HB3 LEU 18 2.237 4.139 1.025
151 HG LEU 18 HG LEU 18 4.211 5.992 -0.141
152 HD11 LEU 18 HD11 LEU 18 2.047 6.899 -1.038
153 HD12 LEU 18 HD12 LEU 18 2.847 7.987 0.097
154 HD13 LEU 18 HD13 LEU 18 1.464 7.027 0.622
155 HD21 LEU 18 HD21 LEU 18 3.974 5.081 2.269
156 HD22 LEU 18 HD22 LEU 18 2.654 6.238 2.438
157 HD23 LEU 18 HD23 LEU 18 4.286 6.807 2.086
158 H ALA 19 HN ALA 19 3.206 1.825 1.260
159 HA ALA 19 HA ALA 19 5.372 2.319 3.106
160 HB1 ALA 19 HB1 ALA 19 3.782 -0.229 2.683
161 HB2 ALA 19 HB2 ALA 19 3.128 1.184 3.511
162 HB3 ALA 19 HB3 ALA 19 4.519 0.332 4.183
163 H ALA 20 HN ALA 20 4.944 0.130 0.341
164 HA ALA 20 HA ALA 20 7.288 -1.484 0.728
165 HB1 ALA 20 HB1 ALA 20 5.210 -1.733 -0.822
166 HB2 ALA 20 HB2 ALA 20 6.770 -2.262 -1.449
167 HB3 ALA 20 HB3 ALA 20 6.106 -0.704 -1.940
168 H GLY 21 HN GLY 21 6.737 1.584 -1.020
169 HA2 GLY 21 HA2 GLY 21 9.369 1.784 -2.160
170 HA3 GLY 21 HA3 GLY 21 8.256 3.133 -1.920
171 H VAL 22 HN VAL 22 7.949 2.989 0.885
172 HA VAL 22 HA VAL 22 10.276 4.409 1.815
173 HB VAL 22 HB VAL 22 7.910 3.086 3.189
174 HG11 VAL 22 HG11 VAL 22 8.555 4.722 5.075
175 HG12 VAL 22 HG12 VAL 22 10.138 4.800 4.299
176 HG13 VAL 22 HG13 VAL 22 9.530 3.262 4.913
177 HG21 VAL 22 HG21 VAL 22 7.482 5.002 1.617
178 HG22 VAL 22 HG22 VAL 22 8.521 6.006 2.629
179 HG23 VAL 22 HG23 VAL 22 7.021 5.347 3.283
180 H GLY 23 HN GLY 23 9.140 1.049 2.295
181 HA2 GLY 23 HA2 GLY 23 11.247 0.242 4.067
182 HA3 GLY 23 HA3 GLY 23 10.265 -0.852 3.091
183 H ILE 24 HN ILE 24 10.883 -0.040 0.513
184 HA ILE 24 HA ILE 24 13.441 -1.288 0.054
185 HB ILE 24 HB ILE 24 11.466 0.309 -1.597
186 HG12 ILE 24 HG12 ILE 24 12.388 -2.572 -1.818
187 HG13 ILE 24 HG13 ILE 24 11.010 -2.072 -0.836
188 HG21 ILE 24 HG21 ILE 24 13.519 0.831 -2.687
189 HG22 ILE 24 HG22 ILE 24 12.862 -0.537 -3.585
190 HG23 ILE 24 HG23 ILE 24 14.162 -0.790 -2.420
191 HD11 ILE 24 HD11 ILE 24 10.204 -0.896 -3.035
192 HD12 ILE 24 HD12 ILE 24 9.982 -2.637 -2.862
193 HD13 ILE 24 HD13 ILE 24 11.319 -2.012 -3.828
194 H TYR 25 HN TYR 25 12.444 2.126 0.397
195 HA TYR 25 HA TYR 25 14.883 3.296 -0.594
196 HB2 TYR 25 HB2 TYR 25 12.641 4.416 -0.124
197 HB3 TYR 25 HB3 TYR 25 13.079 4.379 1.587
198 HD1 TYR 25 HD2 TYR 25 13.999 5.731 -1.739
199 HD2 TYR 25 HD1 TYR 25 14.804 5.815 2.479
200 HE1 TYR 25 HE2 TYR 25 15.382 7.765 -2.043
201 HE2 TYR 25 HE1 TYR 25 16.188 7.850 2.174
202 HH TYR 25 HH TYR 25 17.553 8.791 -0.271
203 H LEU 26 HN LEU 26 13.992 1.834 2.482
204 HA LEU 26 HA LEU 26 16.326 2.827 3.950
205 HB2 LEU 26 HB2 LEU 26 13.940 1.151 4.364
206 HB3 LEU 26 HB3 LEU 26 15.356 0.554 5.226
207 HG LEU 26 HG LEU 26 15.640 3.093 5.902
208 HD11 LEU 26 HD11 LEU 26 12.652 2.881 5.413
209 HD12 LEU 26 HD12 LEU 26 13.764 3.841 4.437
210 HD13 LEU 26 HD13 LEU 26 13.499 4.250 6.132
211 HD21 LEU 26 HD21 LEU 26 15.297 1.378 7.556
212 HD22 LEU 26 HD22 LEU 26 13.620 1.152 7.060
213 HD23 LEU 26 HD23 LEU 26 14.104 2.636 7.878
214 H LEU 27 HN LEU 27 15.527 0.131 1.863
215 HA LEU 27 HA LEU 27 18.317 -0.928 2.138
216 HB2 LEU 27 HB2 LEU 27 16.098 -2.102 3.188
217 HB3 LEU 27 HB3 LEU 27 16.056 -2.788 1.564
218 HG LEU 27 HG LEU 27 17.328 -4.279 3.003
219 HD11 LEU 27 HD11 LEU 27 19.380 -4.428 1.767
220 HD12 LEU 27 HD12 LEU 27 19.342 -2.709 1.377
221 HD13 LEU 27 HD13 LEU 27 18.162 -3.803 0.654
222 HD21 LEU 27 HD21 LEU 27 19.175 -1.947 3.583
223 HD22 LEU 27 HD22 LEU 27 19.230 -3.557 4.299
224 HD23 LEU 27 HD23 LEU 27 17.897 -2.469 4.679
225 HA PRO 28 HA PRO 28 16.934 -0.449 -2.294
226 HB2 PRO 28 HB2 PRO 28 18.020 1.982 -2.939
227 HB3 PRO 28 HB3 PRO 28 16.393 1.786 -2.263
228 HG2 PRO 28 HG2 PRO 28 18.765 2.911 -1.024
229 HG3 PRO 28 HG3 PRO 28 17.084 2.984 -0.502
230 HD2 PRO 28 HD2 PRO 28 19.206 1.248 0.452
231 HD3 PRO 28 HD3 PRO 28 17.583 1.493 1.113
232 H ASN 29 HN ASN 29 20.010 -0.010 -0.688
233 HA ASN 29 HA ASN 29 21.812 0.021 -2.888
234 HB2 ASN 29 HB2 ASN 29 23.393 -0.974 -1.196
235 HB3 ASN 29 HB3 ASN 29 22.505 0.422 -0.592
236 HD21 ASN 29 HD21 ASN 29 22.822 -3.104 -0.314
237 HD22 ASN 29 HD22 ASN 29 21.859 -3.250 1.075
238 H ARG 30 HN ARG 30 20.053 -2.685 -1.411
239 HA ARG 30 HA ARG 30 19.779 -4.920 -2.091
240 HB2 ARG 30 HB2 ARG 30 20.146 -3.228 -4.450
241 HB3 ARG 30 HB3 ARG 30 20.622 -4.898 -4.753
242 HG2 ARG 30 HG2 ARG 30 18.027 -4.262 -3.357
243 HG3 ARG 30 HG3 ARG 30 18.133 -4.253 -5.118
244 HD2 ARG 30 HD2 ARG 30 19.418 -6.629 -4.391
245 HD3 ARG 30 HD3 ARG 30 18.019 -6.538 -3.303
246 HE ARG 30 HE ARG 30 17.836 -6.356 -6.288
247 HH11 ARG 30 HH21 ARG 30 16.891 -8.861 -5.085
248 HH12 ARG 30 HH22 ARG 30 15.203 -8.570 -4.828
249 HH21 ARG 30 HH11 ARG 30 15.489 -5.116 -5.121
250 HH22 ARG 30 HH12 ARG 30 14.405 -6.439 -4.850
Start of MODEL 8
1 HA HIS 1 HA HIS 1 -18.168 0.722 18.651
2 HB2 HIS 1 HB2 HIS 1 -15.570 0.867 19.962
3 HB3 HIS 1 HB3 HIS 1 -16.242 2.478 19.708
4 HD1 HIS 1 HD1 HIS 1 -18.310 3.134 21.061
5 HD2 HIS 1 HD2 HIS 1 -17.217 -0.852 21.607
6 HE1 HIS 1 HE1 HIS 1 -19.712 2.262 22.982
7 H SER 2 HN SER 2 -18.922 2.474 17.502
8 HA SER 2 HA SER 2 -19.059 3.929 15.638
9 HB2 SER 2 HB2 SER 2 -17.506 5.831 15.990
10 HB3 SER 2 HB3 SER 2 -18.202 5.272 17.506
11 HG SER 2 HG SER 2 -15.625 4.720 16.446
12 H VAL 3 HN VAL 3 -17.980 1.555 14.678
13 HA VAL 3 HA VAL 3 -15.765 2.489 12.879
14 HB VAL 3 HB VAL 3 -15.403 0.674 14.697
15 HG11 VAL 3 HG11 VAL 3 -16.536 -1.210 12.656
16 HG12 VAL 3 HG12 VAL 3 -17.620 -0.472 13.837
17 HG13 VAL 3 HG13 VAL 3 -16.266 -1.462 14.381
18 HG21 VAL 3 HG21 VAL 3 -13.739 1.040 12.999
19 HG22 VAL 3 HG22 VAL 3 -14.732 0.250 11.773
20 HG23 VAL 3 HG23 VAL 3 -14.016 -0.700 13.075
21 H SER 4 HN SER 4 -18.886 2.399 12.635
22 HA SER 4 HA SER 4 -19.561 0.466 10.621
23 HB2 SER 4 HB2 SER 4 -21.196 1.658 12.017
24 HB3 SER 4 HB3 SER 4 -20.709 3.191 11.301
25 HG SER 4 HG SER 4 -22.550 2.406 10.260
26 H HIS 5 HN HIS 5 -18.007 3.576 10.488
27 HA HIS 5 HA HIS 5 -17.799 3.338 7.506
28 HB2 HIS 5 HB2 HIS 5 -18.001 5.809 7.460
29 HB3 HIS 5 HB3 HIS 5 -19.417 5.061 8.195
30 HD1 HIS 5 HD1 HIS 5 -19.814 5.456 10.711
31 HD2 HIS 5 HD2 HIS 5 -16.300 7.208 9.310
32 HE1 HIS 5 HE1 HIS 5 -18.979 6.966 12.564
33 H ALA 6 HN ALA 6 -16.006 2.860 10.075
34 HA ALA 6 HA ALA 6 -13.671 4.519 9.201
35 HB1 ALA 6 HB1 ALA 6 -14.693 4.612 11.567
36 HB2 ALA 6 HB2 ALA 6 -12.948 4.380 11.464
37 HB3 ALA 6 HB3 ALA 6 -14.001 3.006 11.797
38 H ARG 7 HN ARG 7 -14.523 1.957 7.897
39 HA ARG 7 HA ARG 7 -11.918 0.563 8.115
40 HB2 ARG 7 HB2 ARG 7 -13.142 -1.631 8.452
41 HB3 ARG 7 HB3 ARG 7 -13.228 -0.533 9.827
42 HG2 ARG 7 HG2 ARG 7 -15.461 0.238 9.050
43 HG3 ARG 7 HG3 ARG 7 -15.377 -0.914 7.718
44 HD2 ARG 7 HD2 ARG 7 -14.838 -2.572 9.814
45 HD3 ARG 7 HD3 ARG 7 -15.922 -1.403 10.593
46 HE ARG 7 HE ARG 7 -16.644 -3.211 8.378
47 HH11 ARG 7 HH11 ARG 7 -18.389 -2.746 10.761
48 HH12 ARG 7 HH12 ARG 7 -19.608 -1.692 10.128
49 HH21 ARG 7 HH21 ARG 7 -17.764 -0.825 7.311
50 HH22 ARG 7 HH22 ARG 7 -19.254 -0.599 8.166
51 HA PRO 8 HA PRO 8 -13.981 0.718 3.898
52 HB2 PRO 8 HB2 PRO 8 -12.139 2.321 2.663
53 HB3 PRO 8 HB3 PRO 8 -13.557 2.960 3.518
54 HG2 PRO 8 HG2 PRO 8 -10.726 2.803 4.403
55 HG3 PRO 8 HG3 PRO 8 -11.935 4.061 4.698
56 HD2 PRO 8 HD2 PRO 8 -11.208 2.161 6.535
57 HD3 PRO 8 HD3 PRO 8 -12.772 3.003 6.531
58 H ARG 9 HN ARG 9 -12.551 0.359 1.695
59 HA ARG 9 HA ARG 9 -10.057 -1.120 2.069
60 HB2 ARG 9 HB2 ARG 9 -11.091 -3.293 1.309
61 HB3 ARG 9 HB3 ARG 9 -11.599 -2.766 2.908
62 HG2 ARG 9 HG2 ARG 9 -13.633 -1.716 1.808
63 HG3 ARG 9 HG3 ARG 9 -13.155 -2.535 0.321
64 HD2 ARG 9 HD2 ARG 9 -14.597 -4.131 1.231
65 HD3 ARG 9 HD3 ARG 9 -13.063 -4.659 1.950
66 HE ARG 9 HE ARG 9 -14.937 -2.795 3.368
67 HH11 ARG 9 HH11 ARG 9 -15.279 -5.666 4.029
68 HH12 ARG 9 HH12 ARG 9 -14.218 -5.878 5.382
69 HH21 ARG 9 HH21 ARG 9 -12.444 -2.947 4.780
70 HH22 ARG 9 HH22 ARG 9 -12.605 -4.334 5.807
71 H TRP 10 HN TRP 10 -10.184 0.912 0.472
72 HA TRP 10 HA TRP 10 -10.322 -0.221 -2.293
73 HB2 TRP 10 HB2 TRP 10 -12.340 1.228 -1.421
74 HB3 TRP 10 HB3 TRP 10 -11.239 2.583 -1.680
75 HD1 TRP 10 HD1 TRP 10 -12.995 -0.252 -3.567
76 HE1 TRP 10 HE1 TRP 10 -13.048 0.341 -6.074
77 HE3 TRP 10 HE3 TRP 10 -10.133 3.978 -3.535
78 HZ2 TRP 10 HZ2 TRP 10 -12.014 2.344 -7.836
79 HZ3 TRP 10 HZ3 TRP 10 -9.683 5.207 -5.640
80 HH2 TRP 10 HH2 TRP 10 -10.619 4.396 -7.788
81 H PHE 11 HN PHE 11 -9.461 2.810 -0.565
82 HA PHE 11 HA PHE 11 -7.208 3.332 -2.365
83 HB2 PHE 11 HB2 PHE 11 -7.058 5.374 -1.143
84 HB3 PHE 11 HB3 PHE 11 -8.778 4.993 -1.167
85 HD1 PHE 11 HD1 PHE 11 -9.930 4.215 0.859
86 HD2 PHE 11 HD2 PHE 11 -5.738 5.157 0.908
87 HE1 PHE 11 HE1 PHE 11 -9.957 4.217 3.335
88 HE2 PHE 11 HE2 PHE 11 -5.769 5.157 3.386
89 HZ PHE 11 HZ PHE 11 -7.879 4.687 4.600
90 H TRP 12 HN TRP 12 -7.652 1.534 0.563
91 HA TRP 12 HA TRP 12 -5.167 1.804 1.872
92 HB2 TRP 12 HB2 TRP 12 -7.264 -0.317 1.588
93 HB3 TRP 12 HB3 TRP 12 -5.767 -0.724 2.426
94 HD1 TRP 12 HD1 TRP 12 -9.041 0.328 3.272
95 HE1 TRP 12 HE1 TRP 12 -9.119 1.703 5.451
96 HE3 TRP 12 HE3 TRP 12 -4.101 1.529 3.737
97 HZ2 TRP 12 HZ2 TRP 12 -7.325 3.128 7.162
98 HZ3 TRP 12 HZ3 TRP 12 -3.313 2.895 5.648
99 HH2 TRP 12 HH2 TRP 12 -4.918 3.696 7.359
100 H PHE 13 HN PHE 13 -5.973 -0.043 -1.007
101 HA PHE 13 HA PHE 13 -3.620 -1.676 -1.120
102 HB2 PHE 13 HB2 PHE 13 -5.907 -1.573 -2.492
103 HB3 PHE 13 HB3 PHE 13 -4.921 -0.614 -3.597
104 HD1 PHE 13 HD1 PHE 13 -2.654 -1.597 -4.336
105 HD2 PHE 13 HD2 PHE 13 -5.758 -3.923 -2.493
106 HE1 PHE 13 HE1 PHE 13 -1.624 -3.672 -5.222
107 HE2 PHE 13 HE2 PHE 13 -4.730 -5.999 -3.379
108 HZ PHE 13 HZ PHE 13 -2.662 -5.874 -4.744
109 H SER 14 HN SER 14 -4.331 1.565 -2.320
110 HA SER 14 HA SER 14 -1.844 2.011 -3.698
111 HB2 SER 14 HB2 SER 14 -4.148 3.279 -3.692
112 HB3 SER 14 HB3 SER 14 -3.450 4.164 -2.338
113 HG SER 14 HG SER 14 -3.087 4.661 -4.851
114 H LEU 15 HN LEU 15 -2.917 2.475 -0.377
115 HA LEU 15 HA LEU 15 -0.613 3.907 0.603
116 HB2 LEU 15 HB2 LEU 15 -2.866 3.709 1.691
117 HB3 LEU 15 HB3 LEU 15 -2.523 2.011 2.020
118 HG LEU 15 HG LEU 15 -0.355 3.760 2.902
119 HD11 LEU 15 HD11 LEU 15 -1.952 5.426 3.410
120 HD12 LEU 15 HD12 LEU 15 -1.782 4.533 4.921
121 HD13 LEU 15 HD13 LEU 15 -3.172 4.240 3.875
122 HD21 LEU 15 HD21 LEU 15 -0.623 1.398 3.560
123 HD22 LEU 15 HD22 LEU 15 -2.170 1.776 4.317
124 HD23 LEU 15 HD23 LEU 15 -0.678 2.443 4.979
125 H LEU 16 HN LEU 16 -1.450 0.437 0.437
126 HA LEU 16 HA LEU 16 0.868 -0.575 1.785
127 HB2 LEU 16 HB2 LEU 16 -1.391 -1.670 1.074
128 HB3 LEU 16 HB3 LEU 16 -0.586 -1.959 -0.468
129 HG LEU 16 HG LEU 16 1.042 -2.713 1.864
130 HD11 LEU 16 HD11 LEU 16 -0.244 -4.722 2.409
131 HD12 LEU 16 HD12 LEU 16 -1.491 -4.268 1.247
132 HD13 LEU 16 HD13 LEU 16 -1.237 -3.292 2.694
133 HD21 LEU 16 HD21 LEU 16 1.539 -4.614 0.474
134 HD22 LEU 16 HD22 LEU 16 1.459 -3.215 -0.596
135 HD23 LEU 16 HD23 LEU 16 0.105 -4.342 -0.516
136 H LEU 17 HN LEU 17 0.231 0.214 -1.588
137 HA LEU 17 HA LEU 17 2.644 -0.813 -2.739
138 HB2 LEU 17 HB2 LEU 17 0.409 0.115 -3.757
139 HB3 LEU 17 HB3 LEU 17 1.231 1.675 -3.680
140 HG LEU 17 HG LEU 17 3.196 0.280 -4.832
141 HD11 LEU 17 HD11 LEU 17 2.188 -1.872 -4.910
142 HD12 LEU 17 HD12 LEU 17 2.032 -1.242 -6.550
143 HD13 LEU 17 HD13 LEU 17 0.646 -1.217 -5.460
144 HD21 LEU 17 HD21 LEU 17 0.772 1.198 -6.408
145 HD22 LEU 17 HD22 LEU 17 2.448 1.167 -6.955
146 HD23 LEU 17 HD23 LEU 17 1.950 2.303 -5.701
147 H LEU 18 HN LEU 18 1.848 2.196 -1.131
148 HA LEU 18 HA LEU 18 4.353 3.553 -1.721
149 HB2 LEU 18 HB2 LEU 18 1.959 4.429 -1.071
150 HB3 LEU 18 HB3 LEU 18 2.521 4.178 0.582
151 HG LEU 18 HG LEU 18 4.662 5.482 -0.578
152 HD11 LEU 18 HD11 LEU 18 3.807 7.332 -1.859
153 HD12 LEU 18 HD12 LEU 18 2.139 6.850 -1.550
154 HD13 LEU 18 HD13 LEU 18 3.165 5.862 -2.591
155 HD21 LEU 18 HD21 LEU 18 4.219 6.486 1.401
156 HD22 LEU 18 HD22 LEU 18 2.510 6.056 1.319
157 HD23 LEU 18 HD23 LEU 18 3.093 7.513 0.516
158 H ALA 19 HN ALA 19 3.069 1.635 0.945
159 HA ALA 19 HA ALA 19 5.151 2.076 2.860
160 HB1 ALA 19 HB1 ALA 19 2.830 0.962 3.069
161 HB2 ALA 19 HB2 ALA 19 4.149 0.222 3.976
162 HB3 ALA 19 HB3 ALA 19 3.611 -0.498 2.459
163 H ALA 20 HN ALA 20 4.788 -0.362 0.272
164 HA ALA 20 HA ALA 20 7.152 -1.883 0.842
165 HB1 ALA 20 HB1 ALA 20 5.150 -2.384 -0.687
166 HB2 ALA 20 HB2 ALA 20 6.736 -2.820 -1.324
167 HB3 ALA 20 HB3 ALA 20 5.935 -1.351 -1.881
168 H GLY 21 HN GLY 21 6.596 0.984 -1.219
169 HA2 GLY 21 HA2 GLY 21 9.219 1.132 -2.352
170 HA3 GLY 21 HA3 GLY 21 8.109 2.495 -2.190
171 H VAL 22 HN VAL 22 7.852 2.430 0.667
172 HA VAL 22 HA VAL 22 10.128 3.995 1.467
173 HB VAL 22 HB VAL 22 7.967 2.562 3.059
174 HG11 VAL 22 HG11 VAL 22 8.519 4.539 4.671
175 HG12 VAL 22 HG12 VAL 22 10.059 4.597 3.810
176 HG13 VAL 22 HG13 VAL 22 9.583 3.132 4.668
177 HG21 VAL 22 HG21 VAL 22 7.730 4.629 1.213
178 HG22 VAL 22 HG22 VAL 22 7.817 5.474 2.758
179 HG23 VAL 22 HG23 VAL 22 6.572 4.254 2.488
180 H GLY 23 HN GLY 23 9.213 0.590 2.084
181 HA2 GLY 23 HA2 GLY 23 11.360 -0.061 3.847
182 HA3 GLY 23 HA3 GLY 23 10.491 -1.226 2.847
183 H ILE 24 HN ILE 24 11.116 -0.167 0.289
184 HA ILE 24 HA ILE 24 13.728 -1.310 -0.176
185 HB ILE 24 HB ILE 24 11.881 0.454 -1.833
186 HG12 ILE 24 HG12 ILE 24 12.381 -2.478 -2.268
187 HG13 ILE 24 HG13 ILE 24 11.275 -1.976 -0.989
188 HG21 ILE 24 HG21 ILE 24 14.366 -1.096 -2.617
189 HG22 ILE 24 HG22 ILE 24 14.102 0.640 -2.771
190 HG23 ILE 24 HG23 ILE 24 13.190 -0.483 -3.779
191 HD11 ILE 24 HD11 ILE 24 10.151 -0.503 -2.775
192 HD12 ILE 24 HD12 ILE 24 9.894 -2.243 -2.899
193 HD13 ILE 24 HD13 ILE 24 11.062 -1.447 -3.955
194 H TYR 25 HN TYR 25 12.562 2.037 0.257
195 HA TYR 25 HA TYR 25 14.986 3.374 -0.522
196 HB2 TYR 25 HB2 TYR 25 12.581 4.255 -0.041
197 HB3 TYR 25 HB3 TYR 25 13.107 4.318 1.643
198 HD1 TYR 25 HD1 TYR 25 14.900 5.833 2.356
199 HD2 TYR 25 HD2 TYR 25 13.574 5.714 -1.729
200 HE1 TYR 25 HE1 TYR 25 16.082 7.966 1.910
201 HE2 TYR 25 HE2 TYR 25 14.754 7.848 -2.173
202 HH TYR 25 HH TYR 25 15.542 9.954 -0.233
203 H LEU 26 HN LEU 26 14.015 1.693 2.409
204 HA LEU 26 HA LEU 26 16.194 2.743 4.067
205 HB2 LEU 26 HB2 LEU 26 13.910 0.863 4.247
206 HB3 LEU 26 HB3 LEU 26 15.290 0.444 5.261
207 HG LEU 26 HG LEU 26 15.172 3.074 5.805
208 HD11 LEU 26 HD11 LEU 26 12.337 2.245 5.117
209 HD12 LEU 26 HD12 LEU 26 13.268 3.544 4.371
210 HD13 LEU 26 HD13 LEU 26 12.749 3.683 6.051
211 HD21 LEU 26 HD21 LEU 26 13.795 2.441 7.804
212 HD22 LEU 26 HD22 LEU 26 15.117 1.317 7.490
213 HD23 LEU 26 HD23 LEU 26 13.467 0.887 7.038
214 H LEU 27 HN LEU 27 15.738 0.176 1.747
215 HA LEU 27 HA LEU 27 18.523 -0.799 2.269
216 HB2 LEU 27 HB2 LEU 27 16.463 -2.166 3.162
217 HB3 LEU 27 HB3 LEU 27 16.253 -2.615 1.469
218 HG LEU 27 HG LEU 27 18.797 -3.204 1.559
219 HD11 LEU 27 HD11 LEU 27 19.066 -2.145 3.839
220 HD12 LEU 27 HD12 LEU 27 19.646 -3.809 3.739
221 HD13 LEU 27 HD13 LEU 27 18.091 -3.459 4.497
222 HD21 LEU 27 HD21 LEU 27 16.712 -4.855 3.025
223 HD22 LEU 27 HD22 LEU 27 18.239 -5.478 2.401
224 HD23 LEU 27 HD23 LEU 27 17.013 -4.871 1.287
225 HA PRO 28 HA PRO 28 17.531 -0.247 -2.272
226 HB2 PRO 28 HB2 PRO 28 18.387 2.309 -2.758
227 HB3 PRO 28 HB3 PRO 28 16.731 1.909 -2.269
228 HG2 PRO 28 HG2 PRO 28 18.816 3.256 -0.755
229 HG3 PRO 28 HG3 PRO 28 17.086 3.143 -0.433
230 HD2 PRO 28 HD2 PRO 28 19.244 1.630 0.766
231 HD3 PRO 28 HD3 PRO 28 17.530 1.659 1.199
232 H ASN 29 HN ASN 29 20.368 0.814 -0.425
233 HA ASN 29 HA ASN 29 22.195 0.490 -2.713
234 HB2 ASN 29 HB2 ASN 29 23.887 1.133 -1.037
235 HB3 ASN 29 HB3 ASN 29 22.501 2.218 -0.960
236 HD21 ASN 29 HD21 ASN 29 24.412 -0.036 0.863
237 HD22 ASN 29 HD22 ASN 29 23.473 -0.008 2.277
238 H ARG 30 HN ARG 30 21.229 -1.364 0.160
239 HA ARG 30 HA ARG 30 21.678 -3.587 0.798
240 HB2 ARG 30 HB2 ARG 30 20.933 -3.543 -1.781
241 HB3 ARG 30 HB3 ARG 30 22.562 -4.183 -1.995
242 HG2 ARG 30 HG2 ARG 30 22.071 -5.965 -0.348
243 HG3 ARG 30 HG3 ARG 30 20.431 -5.338 -0.171
244 HD2 ARG 30 HD2 ARG 30 21.407 -5.986 -2.936
245 HD3 ARG 30 HD3 ARG 30 20.914 -7.319 -1.873
246 HE ARG 30 HE ARG 30 18.848 -5.571 -1.528
247 HH11 ARG 30 HH21 ARG 30 19.080 -8.033 -3.510
248 HH12 ARG 30 HH22 ARG 30 18.323 -7.336 -4.903
249 HH21 ARG 30 HH11 ARG 30 18.470 -4.084 -3.679
250 HH22 ARG 30 HH12 ARG 30 17.977 -5.092 -5.000
Start of MODEL 9
1 HA HIS 1 HA HIS 1 -21.687 3.398 -2.869
2 HB2 HIS 1 HB2 HIS 1 -18.978 3.671 -4.142
3 HB3 HIS 1 HB3 HIS 1 -20.383 4.314 -4.991
4 HD1 HIS 1 HD1 HIS 1 -17.946 5.248 -2.511
5 HD2 HIS 1 HD2 HIS 1 -21.979 6.110 -3.124
6 HE1 HIS 1 HE1 HIS 1 -18.452 7.320 -1.146
7 H SER 2 HN SER 2 -23.151 2.899 -4.526
8 HA SER 2 HA SER 2 -24.297 1.381 -5.941
9 HB2 SER 2 HB2 SER 2 -23.122 1.273 -8.119
10 HB3 SER 2 HB3 SER 2 -23.015 2.879 -7.411
11 HG SER 2 HG SER 2 -21.044 0.833 -7.468
12 H VAL 3 HN VAL 3 -23.143 -0.111 -3.826
13 HA VAL 3 HA VAL 3 -22.391 -2.277 -3.244
14 HB VAL 3 HB VAL 3 -23.660 -2.892 -5.936
15 HG11 VAL 3 HG11 VAL 3 -22.808 -4.910 -5.100
16 HG12 VAL 3 HG12 VAL 3 -24.450 -4.906 -4.458
17 HG13 VAL 3 HG13 VAL 3 -23.097 -4.450 -3.422
18 HG21 VAL 3 HG21 VAL 3 -25.253 -1.513 -4.834
19 HG22 VAL 3 HG22 VAL 3 -24.877 -2.202 -3.255
20 HG23 VAL 3 HG23 VAL 3 -25.754 -3.159 -4.447
21 H SER 4 HN SER 4 -20.358 -0.702 -4.565
22 HA SER 4 HA SER 4 -19.066 -2.344 -6.613
23 HB2 SER 4 HB2 SER 4 -18.448 0.166 -5.077
24 HB3 SER 4 HB3 SER 4 -17.198 -0.597 -6.054
25 HG SER 4 HG SER 4 -18.198 0.036 -7.798
26 H HIS 5 HN HIS 5 -17.676 -1.178 -3.565
27 HA HIS 5 HA HIS 5 -16.934 -3.926 -2.769
28 HB2 HIS 5 HB2 HIS 5 -15.168 -1.962 -4.061
29 HB3 HIS 5 HB3 HIS 5 -14.508 -2.632 -2.569
30 HD1 HIS 5 HD1 HIS 5 -14.061 -3.276 -5.887
31 HD2 HIS 5 HD2 HIS 5 -15.428 -5.745 -2.819
32 HE1 HIS 5 HE1 HIS 5 -13.670 -5.657 -6.655
33 H ALA 6 HN ALA 6 -15.544 -0.785 -1.906
34 HA ALA 6 HA ALA 6 -15.333 0.278 0.200
35 HB1 ALA 6 HB1 ALA 6 -17.692 0.694 -0.422
36 HB2 ALA 6 HB2 ALA 6 -17.529 0.506 1.325
37 HB3 ALA 6 HB3 ALA 6 -18.162 -0.820 0.350
38 H ARG 7 HN ARG 7 -13.969 -2.023 0.393
39 HA ARG 7 HA ARG 7 -14.209 -2.802 3.168
40 HB2 ARG 7 HB2 ARG 7 -15.921 -4.101 1.332
41 HB3 ARG 7 HB3 ARG 7 -14.646 -5.263 1.697
42 HG2 ARG 7 HG2 ARG 7 -15.067 -5.114 4.058
43 HG3 ARG 7 HG3 ARG 7 -16.142 -3.733 3.838
44 HD2 ARG 7 HD2 ARG 7 -17.504 -5.739 4.167
45 HD3 ARG 7 HD3 ARG 7 -17.662 -5.232 2.475
46 HE ARG 7 HE ARG 7 -15.594 -7.258 3.225
47 HH11 ARG 7 HH21 ARG 7 -16.738 -6.065 0.476
48 HH12 ARG 7 HH22 ARG 7 -17.472 -7.505 -0.144
49 HH21 ARG 7 HH11 ARG 7 -17.253 -9.224 2.873
50 HH22 ARG 7 HH12 ARG 7 -17.764 -9.303 1.220
51 HA PRO 8 HA PRO 8 -10.782 -5.479 1.130
52 HB2 PRO 8 HB2 PRO 8 -10.503 -5.393 -1.596
53 HB3 PRO 8 HB3 PRO 8 -11.529 -6.574 -0.758
54 HG2 PRO 8 HG2 PRO 8 -12.291 -4.046 -2.137
55 HG3 PRO 8 HG3 PRO 8 -13.105 -5.618 -2.130
56 HD2 PRO 8 HD2 PRO 8 -13.931 -3.527 -0.622
57 HD3 PRO 8 HD3 PRO 8 -14.152 -5.218 -0.130
58 H ARG 9 HN ARG 9 -8.743 -4.863 -0.544
59 HA ARG 9 HA ARG 9 -7.667 -2.422 0.474
60 HB2 ARG 9 HB2 ARG 9 -6.937 -4.185 -1.886
61 HB3 ARG 9 HB3 ARG 9 -5.906 -2.887 -1.281
62 HG2 ARG 9 HG2 ARG 9 -6.339 -4.138 1.041
63 HG3 ARG 9 HG3 ARG 9 -6.581 -5.516 -0.032
64 HD2 ARG 9 HD2 ARG 9 -4.338 -5.731 -0.247
65 HD3 ARG 9 HD3 ARG 9 -4.246 -4.091 -0.917
66 HE ARG 9 HE ARG 9 -3.577 -3.320 1.214
67 HH11 ARG 9 HH21 ARG 9 -2.608 -6.145 1.742
68 HH12 ARG 9 HH22 ARG 9 -3.349 -6.485 3.270
69 HH21 ARG 9 HH11 ARG 9 -5.622 -3.865 3.049
70 HH22 ARG 9 HH12 ARG 9 -5.059 -5.189 4.013
71 H TRP 10 HN TRP 10 -8.122 -3.004 -3.041
72 HA TRP 10 HA TRP 10 -8.677 -1.509 -4.772
73 HB2 TRP 10 HB2 TRP 10 -10.854 -1.843 -3.665
74 HB3 TRP 10 HB3 TRP 10 -10.504 -0.527 -2.547
75 HD1 TRP 10 HD1 TRP 10 -11.366 1.758 -3.254
76 HE1 TRP 10 HE1 TRP 10 -12.103 2.853 -5.465
77 HE3 TRP 10 HE3 TRP 10 -10.312 -2.034 -6.510
78 HZ2 TRP 10 HZ2 TRP 10 -12.236 2.206 -8.249
79 HZ3 TRP 10 HZ3 TRP 10 -10.756 -1.767 -8.933
80 HH2 TRP 10 HH2 TRP 10 -11.715 0.345 -9.806
81 H PHE 11 HN PHE 11 -9.429 1.045 -2.474
82 HA PHE 11 HA PHE 11 -7.393 2.791 -3.631
83 HB2 PHE 11 HB2 PHE 11 -8.436 4.462 -2.230
84 HB3 PHE 11 HB3 PHE 11 -9.728 3.429 -2.832
85 HD1 PHE 11 HD1 PHE 11 -7.717 4.358 0.117
86 HD2 PHE 11 HD2 PHE 11 -10.908 1.879 -1.346
87 HE1 PHE 11 HE1 PHE 11 -8.382 3.834 2.447
88 HE2 PHE 11 HE2 PHE 11 -11.569 1.356 0.983
89 HZ PHE 11 HZ PHE 11 -10.307 2.333 2.881
90 H TRP 12 HN TRP 12 -7.771 0.888 -0.675
91 HA TRP 12 HA TRP 12 -5.561 2.022 0.791
92 HB2 TRP 12 HB2 TRP 12 -7.449 0.742 1.763
93 HB3 TRP 12 HB3 TRP 12 -6.905 -0.699 0.908
94 HD1 TRP 12 HD1 TRP 12 -4.900 -2.026 1.882
95 HE1 TRP 12 HE1 TRP 12 -3.552 -1.862 4.075
96 HE3 TRP 12 HE3 TRP 12 -6.522 2.508 3.572
97 HZ2 TRP 12 HZ2 TRP 12 -3.214 -0.045 6.261
98 HZ3 TRP 12 HZ3 TRP 12 -5.675 3.430 5.711
99 HH2 TRP 12 HH2 TRP 12 -4.024 2.161 7.055
100 H PHE 13 HN PHE 13 -5.712 -0.144 -1.889
101 HA PHE 13 HA PHE 13 -3.322 -1.669 -1.473
102 HB2 PHE 13 HB2 PHE 13 -5.259 -1.903 -3.193
103 HB3 PHE 13 HB3 PHE 13 -4.355 -0.728 -4.148
104 HD1 PHE 13 HD1 PHE 13 -2.035 -1.253 -4.918
105 HD2 PHE 13 HD2 PHE 13 -4.505 -4.175 -2.964
106 HE1 PHE 13 HE1 PHE 13 -0.542 -3.059 -5.731
107 HE2 PHE 13 HE2 PHE 13 -3.012 -5.980 -3.778
108 HZ PHE 13 HZ PHE 13 -1.030 -5.422 -5.161
109 H SER 14 HN SER 14 -3.929 1.514 -2.858
110 HA SER 14 HA SER 14 -1.286 2.029 -3.865
111 HB2 SER 14 HB2 SER 14 -3.684 3.235 -4.052
112 HB3 SER 14 HB3 SER 14 -2.991 4.222 -2.769
113 HG SER 14 HG SER 14 -2.122 3.837 -5.422
114 H LEU 15 HN LEU 15 -2.861 2.624 -0.766
115 HA LEU 15 HA LEU 15 -0.730 4.043 0.538
116 HB2 LEU 15 HB2 LEU 15 -3.095 3.900 1.299
117 HB3 LEU 15 HB3 LEU 15 -2.880 2.181 1.622
118 HG LEU 15 HG LEU 15 -0.861 3.919 2.894
119 HD11 LEU 15 HD11 LEU 15 -3.775 4.018 3.730
120 HD12 LEU 15 HD12 LEU 15 -2.809 5.374 3.149
121 HD13 LEU 15 HD13 LEU 15 -2.431 4.620 4.698
122 HD21 LEU 15 HD21 LEU 15 -2.380 1.427 3.386
123 HD22 LEU 15 HD22 LEU 15 -2.023 2.376 4.829
124 HD23 LEU 15 HD23 LEU 15 -0.710 1.825 3.790
125 H LEU 16 HN LEU 16 -1.532 0.571 0.304
126 HA LEU 16 HA LEU 16 0.557 -0.411 2.006
127 HB2 LEU 16 HB2 LEU 16 -1.546 -1.572 1.125
128 HB3 LEU 16 HB3 LEU 16 -0.682 -1.774 -0.398
129 HG LEU 16 HG LEU 16 0.943 -2.611 1.875
130 HD11 LEU 16 HD11 LEU 16 -0.333 -4.473 2.629
131 HD12 LEU 16 HD12 LEU 16 -1.529 -4.270 1.349
132 HD13 LEU 16 HD13 LEU 16 -1.447 -3.106 2.673
133 HD21 LEU 16 HD21 LEU 16 -0.137 -4.214 -0.460
134 HD22 LEU 16 HD22 LEU 16 1.338 -4.514 0.460
135 HD23 LEU 16 HD23 LEU 16 1.233 -3.112 -0.604
136 H LEU 17 HN LEU 17 0.396 0.150 -1.482
137 HA LEU 17 HA LEU 17 2.976 -0.857 -2.185
138 HB2 LEU 17 HB2 LEU 17 0.945 -0.113 -3.621
139 HB3 LEU 17 HB3 LEU 17 1.611 1.512 -3.469
140 HG LEU 17 HG LEU 17 3.604 -0.519 -4.222
141 HD11 LEU 17 HD11 LEU 17 1.588 -1.368 -5.426
142 HD12 LEU 17 HD12 LEU 17 2.830 -0.767 -6.524
143 HD13 LEU 17 HD13 LEU 17 1.408 0.216 -6.181
144 HD21 LEU 17 HD21 LEU 17 3.698 2.090 -4.192
145 HD22 LEU 17 HD22 LEU 17 2.843 1.977 -5.731
146 HD23 LEU 17 HD23 LEU 17 4.434 1.238 -5.550
147 H LEU 18 HN LEU 18 1.900 2.206 -0.875
148 HA LEU 18 HA LEU 18 4.353 3.682 -1.220
149 HB2 LEU 18 HB2 LEU 18 1.834 4.329 -0.634
150 HB3 LEU 18 HB3 LEU 18 2.419 4.181 1.020
151 HG LEU 18 HG LEU 18 2.590 6.509 0.140
152 HD11 LEU 18 HD11 LEU 18 5.406 5.517 0.425
153 HD12 LEU 18 HD12 LEU 18 4.286 5.310 1.772
154 HD13 LEU 18 HD13 LEU 18 4.636 6.926 1.158
155 HD21 LEU 18 HD21 LEU 18 3.177 5.546 -2.233
156 HD22 LEU 18 HD22 LEU 18 4.835 5.580 -1.634
157 HD23 LEU 18 HD23 LEU 18 3.896 7.071 -1.716
158 H ALA 19 HN ALA 19 3.022 1.688 1.381
159 HA ALA 19 HA ALA 19 5.102 2.179 3.321
160 HB1 ALA 19 HB1 ALA 19 3.128 1.255 4.173
161 HB2 ALA 19 HB2 ALA 19 4.158 -0.175 4.087
162 HB3 ALA 19 HB3 ALA 19 2.961 0.126 2.828
163 H ALA 20 HN ALA 20 4.689 -0.235 0.735
164 HA ALA 20 HA ALA 20 6.974 -1.866 1.381
165 HB1 ALA 20 HB1 ALA 20 5.317 -2.763 -0.059
166 HB2 ALA 20 HB2 ALA 20 6.668 -2.426 -1.143
167 HB3 ALA 20 HB3 ALA 20 5.297 -1.319 -1.073
168 H GLY 21 HN GLY 21 6.541 0.967 -0.757
169 HA2 GLY 21 HA2 GLY 21 9.174 0.996 -1.870
170 HA3 GLY 21 HA3 GLY 21 8.114 2.401 -1.745
171 H VAL 22 HN VAL 22 7.850 2.364 1.134
172 HA VAL 22 HA VAL 22 10.122 3.917 1.924
173 HB VAL 22 HB VAL 22 8.007 2.416 3.514
174 HG11 VAL 22 HG11 VAL 22 10.056 4.483 4.327
175 HG12 VAL 22 HG12 VAL 22 9.731 2.919 5.072
176 HG13 VAL 22 HG13 VAL 22 8.570 4.234 5.244
177 HG21 VAL 22 HG21 VAL 22 7.863 5.339 3.346
178 HG22 VAL 22 HG22 VAL 22 6.607 4.137 3.047
179 HG23 VAL 22 HG23 VAL 22 7.743 4.563 1.766
180 H GLY 23 HN GLY 23 9.309 0.474 2.415
181 HA2 GLY 23 HA2 GLY 23 11.527 -0.160 4.122
182 HA3 GLY 23 HA3 GLY 23 10.624 -1.326 3.154
183 H ILE 24 HN ILE 24 11.097 -0.504 0.578
184 HA ILE 24 HA ILE 24 13.762 -1.466 0.059
185 HB ILE 24 HB ILE 24 11.503 -0.219 -1.499
186 HG12 ILE 24 HG12 ILE 24 12.307 -2.541 -2.739
187 HG13 ILE 24 HG13 ILE 24 12.718 -2.873 -1.057
188 HG21 ILE 24 HG21 ILE 24 14.306 -0.735 -2.532
189 HG22 ILE 24 HG22 ILE 24 13.397 0.774 -2.605
190 HG23 ILE 24 HG23 ILE 24 12.898 -0.604 -3.586
191 HD11 ILE 24 HD11 ILE 24 10.019 -1.787 -1.887
192 HD12 ILE 24 HD12 ILE 24 10.471 -2.492 -0.335
193 HD13 ILE 24 HD13 ILE 24 10.352 -3.514 -1.766
194 H TYR 25 HN TYR 25 12.409 1.819 0.388
195 HA TYR 25 HA TYR 25 14.643 3.261 -0.696
196 HB2 TYR 25 HB2 TYR 25 12.310 4.101 -0.089
197 HB3 TYR 25 HB3 TYR 25 12.851 4.119 1.592
198 HD1 TYR 25 HD2 TYR 25 13.335 5.604 -1.759
199 HD2 TYR 25 HD1 TYR 25 14.502 5.722 2.374
200 HE1 TYR 25 HE2 TYR 25 14.440 7.792 -2.133
201 HE2 TYR 25 HE1 TYR 25 15.609 7.908 1.999
202 HH TYR 25 HH TYR 25 15.069 9.899 -0.136
203 H LEU 26 HN LEU 26 14.114 1.668 2.392
204 HA LEU 26 HA LEU 26 16.382 2.936 3.750
205 HB2 LEU 26 HB2 LEU 26 14.213 1.033 4.284
206 HB3 LEU 26 HB3 LEU 26 15.727 0.551 5.047
207 HG LEU 26 HG LEU 26 15.844 3.074 5.778
208 HD11 LEU 26 HD11 LEU 26 12.851 2.699 5.474
209 HD12 LEU 26 HD12 LEU 26 13.832 3.665 4.372
210 HD13 LEU 26 HD13 LEU 26 13.690 4.132 6.066
211 HD21 LEU 26 HD21 LEU 26 14.406 2.477 7.795
212 HD22 LEU 26 HD22 LEU 26 15.680 1.319 7.410
213 HD23 LEU 26 HD23 LEU 26 14.009 0.974 6.963
214 H LEU 27 HN LEU 27 15.805 0.134 1.709
215 HA LEU 27 HA LEU 27 18.714 -0.575 1.892
216 HB2 LEU 27 HB2 LEU 27 16.911 -2.051 3.084
217 HB3 LEU 27 HB3 LEU 27 16.501 -2.577 1.451
218 HG LEU 27 HG LEU 27 19.266 -2.737 1.462
219 HD11 LEU 27 HD11 LEU 27 18.233 -3.766 4.123
220 HD12 LEU 27 HD12 LEU 27 19.247 -2.337 3.921
221 HD13 LEU 27 HD13 LEU 27 19.877 -3.931 3.506
222 HD21 LEU 27 HD21 LEU 27 17.169 -4.841 2.078
223 HD22 LEU 27 HD22 LEU 27 18.842 -5.212 1.661
224 HD23 LEU 27 HD23 LEU 27 17.799 -4.405 0.489
225 HA PRO 28 HA PRO 28 17.238 -0.310 -2.527
226 HB2 PRO 28 HB2 PRO 28 17.879 2.267 -3.194
227 HB3 PRO 28 HB3 PRO 28 16.313 1.798 -2.506
228 HG2 PRO 28 HG2 PRO 28 18.466 3.324 -1.289
229 HG3 PRO 28 HG3 PRO 28 16.797 3.121 -0.762
230 HD2 PRO 28 HD2 PRO 28 19.179 1.778 0.207
231 HD3 PRO 28 HD3 PRO 28 17.537 1.748 0.863
232 H ASN 29 HN ASN 29 20.175 0.674 -0.908
233 HA ASN 29 HA ASN 29 21.816 0.601 -3.366
234 HB2 ASN 29 HB2 ASN 29 21.929 1.987 -1.031
235 HB3 ASN 29 HB3 ASN 29 23.037 0.667 -0.658
236 HD21 ASN 29 HD21 ASN 29 24.571 0.199 -2.757
237 HD22 ASN 29 HD22 ASN 29 25.279 1.599 -3.408
238 H ARG 30 HN ARG 30 20.534 -1.785 -1.372
239 HA ARG 30 HA ARG 30 22.938 -3.512 -1.321
240 HB2 ARG 30 HB2 ARG 30 21.201 -3.260 0.536
241 HB3 ARG 30 HB3 ARG 30 20.083 -4.134 -0.511
242 HG2 ARG 30 HG2 ARG 30 22.738 -5.401 -0.196
243 HG3 ARG 30 HG3 ARG 30 21.763 -5.345 1.274
244 HD2 ARG 30 HD2 ARG 30 19.961 -6.546 0.241
245 HD3 ARG 30 HD3 ARG 30 20.670 -6.351 -1.374
246 HE ARG 30 HE ARG 30 22.448 -7.897 -0.733
247 HH11 ARG 30 HH11 ARG 30 20.015 -9.486 -0.046
248 HH12 ARG 30 HH12 ARG 30 20.354 -10.008 1.570
249 HH21 ARG 30 HH21 ARG 30 22.878 -7.670 2.072
250 HH22 ARG 30 HH22 ARG 30 21.981 -8.973 2.776
Start of MODEL 10
1 HA HIS 1 HA HIS 1 -15.767 -4.460 15.090
2 HB2 HIS 1 HB2 HIS 1 -13.392 -5.882 16.296
3 HB3 HIS 1 HB3 HIS 1 -13.457 -5.559 14.564
4 HD1 HIS 1 HD1 HIS 1 -12.691 -3.974 17.783
5 HD2 HIS 1 HD2 HIS 1 -13.734 -2.672 13.962
6 HE1 HIS 1 HE1 HIS 1 -12.122 -1.508 17.685
7 H SER 2 HN SER 2 -16.026 -5.701 13.141
8 HA SER 2 HA SER 2 -16.936 -8.517 13.597
9 HB2 SER 2 HB2 SER 2 -18.163 -8.097 11.459
10 HB3 SER 2 HB3 SER 2 -18.562 -6.914 12.701
11 HG SER 2 HG SER 2 -16.987 -6.646 10.385
12 H VAL 3 HN VAL 3 -14.068 -7.840 13.304
13 HA VAL 3 HA VAL 3 -12.168 -8.518 12.085
14 HB VAL 3 HB VAL 3 -14.158 -10.578 11.065
15 HG11 VAL 3 HG11 VAL 3 -11.214 -10.276 10.987
16 HG12 VAL 3 HG12 VAL 3 -12.279 -11.204 9.932
17 HG13 VAL 3 HG13 VAL 3 -11.788 -11.866 11.491
18 HG21 VAL 3 HG21 VAL 3 -14.352 -10.546 13.460
19 HG22 VAL 3 HG22 VAL 3 -12.607 -10.383 13.662
20 HG23 VAL 3 HG23 VAL 3 -13.289 -11.897 13.069
21 H SER 4 HN SER 4 -13.455 -6.363 10.856
22 HA SER 4 HA SER 4 -13.683 -7.040 7.967
23 HB2 SER 4 HB2 SER 4 -15.249 -5.537 9.500
24 HB3 SER 4 HB3 SER 4 -14.056 -4.301 9.115
25 HG SER 4 HG SER 4 -14.540 -4.493 6.985
26 H HIS 5 HN HIS 5 -11.440 -5.718 10.208
27 HA HIS 5 HA HIS 5 -9.911 -4.280 8.095
28 HB2 HIS 5 HB2 HIS 5 -9.938 -4.403 11.104
29 HB3 HIS 5 HB3 HIS 5 -8.522 -3.765 10.267
30 HD1 HIS 5 HD1 HIS 5 -8.941 -1.661 8.679
31 HD2 HIS 5 HD2 HIS 5 -12.139 -2.669 11.158
32 HE1 HIS 5 HE1 HIS 5 -10.507 0.331 8.675
33 H ALA 6 HN ALA 6 -10.054 -7.185 7.971
34 HA ALA 6 HA ALA 6 -7.154 -7.796 8.088
35 HB1 ALA 6 HB1 ALA 6 -7.526 -9.775 9.459
36 HB2 ALA 6 HB2 ALA 6 -9.270 -9.509 9.432
37 HB3 ALA 6 HB3 ALA 6 -8.220 -8.385 10.294
38 H ARG 7 HN ARG 7 -8.900 -7.400 5.837
39 HA ARG 7 HA ARG 7 -8.466 -9.904 4.404
40 HB2 ARG 7 HB2 ARG 7 -10.924 -9.463 5.816
41 HB3 ARG 7 HB3 ARG 7 -11.268 -9.428 4.087
42 HG2 ARG 7 HG2 ARG 7 -9.825 -11.567 3.948
43 HG3 ARG 7 HG3 ARG 7 -10.016 -11.648 5.700
44 HD2 ARG 7 HD2 ARG 7 -11.876 -12.886 5.045
45 HD3 ARG 7 HD3 ARG 7 -12.595 -11.262 5.047
46 HE ARG 7 HE ARG 7 -11.577 -12.663 2.606
47 HH11 ARG 7 HH21 ARG 7 -14.501 -12.214 2.922
48 HH12 ARG 7 HH22 ARG 7 -14.757 -10.747 2.038
49 HH21 ARG 7 HH11 ARG 7 -11.389 -9.876 2.003
50 HH22 ARG 7 HH12 ARG 7 -12.986 -9.417 1.515
51 HA PRO 8 HA PRO 8 -10.317 -6.759 1.343
52 HB2 PRO 8 HB2 PRO 8 -11.521 -4.488 2.284
53 HB3 PRO 8 HB3 PRO 8 -12.397 -6.009 2.021
54 HG2 PRO 8 HG2 PRO 8 -11.377 -4.827 4.551
55 HG3 PRO 8 HG3 PRO 8 -12.872 -5.723 4.243
56 HD2 PRO 8 HD2 PRO 8 -10.660 -6.813 5.419
57 HD3 PRO 8 HD3 PRO 8 -11.864 -7.751 4.512
58 H ARG 9 HN ARG 9 -8.319 -6.047 0.665
59 HA ARG 9 HA ARG 9 -6.874 -3.985 2.279
60 HB2 ARG 9 HB2 ARG 9 -6.129 -6.030 0.186
61 HB3 ARG 9 HB3 ARG 9 -5.020 -4.731 0.621
62 HG2 ARG 9 HG2 ARG 9 -6.167 -6.038 2.971
63 HG3 ARG 9 HG3 ARG 9 -5.273 -7.162 1.948
64 HD2 ARG 9 HD2 ARG 9 -3.266 -5.872 2.102
65 HD3 ARG 9 HD3 ARG 9 -4.130 -4.479 2.783
66 HE ARG 9 HE ARG 9 -4.487 -5.774 4.840
67 HH11 ARG 9 HH11 ARG 9 -1.482 -5.979 3.864
68 HH12 ARG 9 HH12 ARG 9 -1.152 -7.614 4.330
69 HH21 ARG 9 HH21 ARG 9 -4.498 -8.417 4.843
70 HH22 ARG 9 HH22 ARG 9 -2.870 -9.002 4.886
71 H TRP 10 HN TRP 10 -9.177 -3.700 0.091
72 HA TRP 10 HA TRP 10 -8.084 -2.321 -2.167
73 HB2 TRP 10 HB2 TRP 10 -10.411 -3.226 -1.867
74 HB3 TRP 10 HB3 TRP 10 -10.737 -1.905 -0.744
75 HD1 TRP 10 HD1 TRP 10 -10.172 -2.643 -4.437
76 HE1 TRP 10 HE1 TRP 10 -10.857 -0.576 -5.818
77 HE3 TRP 10 HE3 TRP 10 -10.988 0.704 -0.667
78 HZ2 TRP 10 HZ2 TRP 10 -11.648 2.139 -5.380
79 HZ3 TRP 10 HZ3 TRP 10 -11.705 3.020 -1.176
80 HH2 TRP 10 HH2 TRP 10 -12.036 3.742 -3.526
81 H PHE 11 HN PHE 11 -9.282 -1.087 0.974
82 HA PHE 11 HA PHE 11 -8.733 1.697 0.420
83 HB2 PHE 11 HB2 PHE 11 -10.346 0.876 2.094
84 HB3 PHE 11 HB3 PHE 11 -9.038 0.125 3.004
85 HD1 PHE 11 HD2 PHE 11 -10.519 3.352 1.944
86 HD2 PHE 11 HD1 PHE 11 -7.559 1.432 4.394
87 HE1 PHE 11 HE2 PHE 11 -10.130 5.485 3.146
88 HE2 PHE 11 HE1 PHE 11 -7.171 3.566 5.597
89 HZ PHE 11 HZ PHE 11 -8.456 5.592 4.973
90 H TRP 12 HN TRP 12 -6.740 -0.979 1.501
91 HA TRP 12 HA TRP 12 -4.548 0.886 2.309
92 HB2 TRP 12 HB2 TRP 12 -5.123 -2.056 2.753
93 HB3 TRP 12 HB3 TRP 12 -3.622 -1.282 3.259
94 HD1 TRP 12 HD1 TRP 12 -7.169 -1.795 4.281
95 HE1 TRP 12 HE1 TRP 12 -7.673 -0.473 6.436
96 HE3 TRP 12 HE3 TRP 12 -2.964 1.087 4.552
97 HZ2 TRP 12 HZ2 TRP 12 -6.451 1.540 8.062
98 HZ3 TRP 12 HZ3 TRP 12 -2.659 2.697 6.410
99 HH2 TRP 12 HH2 TRP 12 -4.396 2.926 8.165
100 H PHE 13 HN PHE 13 -5.475 -0.261 -0.542
101 HA PHE 13 HA PHE 13 -3.192 -1.749 -1.506
102 HB2 PHE 13 HB2 PHE 13 -5.648 -1.425 -2.407
103 HB3 PHE 13 HB3 PHE 13 -4.952 -0.029 -3.231
104 HD1 PHE 13 HD1 PHE 13 -4.852 -3.708 -2.901
105 HD2 PHE 13 HD2 PHE 13 -3.354 -0.291 -5.030
106 HE1 PHE 13 HE1 PHE 13 -3.907 -5.206 -4.640
107 HE2 PHE 13 HE2 PHE 13 -2.411 -1.788 -6.769
108 HZ PHE 13 HZ PHE 13 -2.687 -4.245 -6.573
109 H SER 14 HN SER 14 -4.188 1.636 -1.901
110 HA SER 14 HA SER 14 -1.804 2.535 -3.225
111 HB2 SER 14 HB2 SER 14 -2.685 4.788 -2.306
112 HB3 SER 14 HB3 SER 14 -3.769 3.880 -3.355
113 HG SER 14 HG SER 14 -4.226 4.686 -0.902
114 H LEU 15 HN LEU 15 -2.751 2.222 0.131
115 HA LEU 15 HA LEU 15 -0.513 3.583 1.338
116 HB2 LEU 15 HB2 LEU 15 -2.861 2.039 2.068
117 HB3 LEU 15 HB3 LEU 15 -1.485 1.530 3.040
118 HG LEU 15 HG LEU 15 -2.759 3.411 4.076
119 HD11 LEU 15 HD11 LEU 15 -0.356 3.110 4.551
120 HD12 LEU 15 HD12 LEU 15 -0.792 4.818 4.549
121 HD13 LEU 15 HD13 LEU 15 0.045 4.121 3.163
122 HD21 LEU 15 HD21 LEU 15 -1.660 5.150 1.864
123 HD22 LEU 15 HD22 LEU 15 -2.900 5.541 3.054
124 HD23 LEU 15 HD23 LEU 15 -3.262 4.420 1.742
125 H LEU 16 HN LEU 16 -1.145 0.169 0.485
126 HA LEU 16 HA LEU 16 1.311 -0.904 1.521
127 HB2 LEU 16 HB2 LEU 16 -0.943 -1.991 0.686
128 HB3 LEU 16 HB3 LEU 16 -0.133 -2.001 -0.880
129 HG LEU 16 HG LEU 16 1.371 -3.047 1.488
130 HD11 LEU 16 HD11 LEU 16 -0.877 -4.087 1.657
131 HD12 LEU 16 HD12 LEU 16 0.357 -5.264 1.210
132 HD13 LEU 16 HD13 LEU 16 -0.737 -4.628 -0.016
133 HD21 LEU 16 HD21 LEU 16 2.680 -3.161 -0.423
134 HD22 LEU 16 HD22 LEU 16 1.293 -3.400 -1.486
135 HD23 LEU 16 HD23 LEU 16 1.892 -4.735 -0.502
136 H LEU 17 HN LEU 17 0.392 0.439 -1.605
137 HA LEU 17 HA LEU 17 2.774 -0.168 -3.065
138 HB2 LEU 17 HB2 LEU 17 0.416 0.821 -3.725
139 HB3 LEU 17 HB3 LEU 17 1.210 2.371 -3.437
140 HG LEU 17 HG LEU 17 3.107 1.289 -4.955
141 HD11 LEU 17 HD11 LEU 17 2.008 -0.894 -5.169
142 HD12 LEU 17 HD12 LEU 17 2.072 -0.098 -6.741
143 HD13 LEU 17 HD13 LEU 17 0.564 -0.121 -5.825
144 HD21 LEU 17 HD21 LEU 17 2.148 2.456 -6.845
145 HD22 LEU 17 HD22 LEU 17 1.714 3.351 -5.390
146 HD23 LEU 17 HD23 LEU 17 0.525 2.311 -6.172
147 H LEU 18 HN LEU 18 1.917 2.445 -0.884
148 HA LEU 18 HA LEU 18 4.289 4.054 -1.313
149 HB2 LEU 18 HB2 LEU 18 1.935 4.613 -0.315
150 HB3 LEU 18 HB3 LEU 18 2.614 3.998 1.192
151 HG LEU 18 HG LEU 18 4.614 5.608 0.625
152 HD11 LEU 18 HD11 LEU 18 3.819 7.644 -0.574
153 HD12 LEU 18 HD12 LEU 18 2.316 6.804 -0.955
154 HD13 LEU 18 HD13 LEU 18 3.843 6.220 -1.616
155 HD21 LEU 18 HD21 LEU 18 2.296 5.794 2.206
156 HD22 LEU 18 HD22 LEU 18 2.418 7.353 1.390
157 HD23 LEU 18 HD23 LEU 18 3.761 6.762 2.368
158 H ALA 19 HN ALA 19 3.364 1.499 0.925
159 HA ALA 19 HA ALA 19 5.640 1.657 2.686
160 HB1 ALA 19 HB1 ALA 19 4.747 -0.357 3.563
161 HB2 ALA 19 HB2 ALA 19 4.096 -0.848 2.000
162 HB3 ALA 19 HB3 ALA 19 3.334 0.464 2.898
163 H ALA 20 HN ALA 20 5.041 -0.002 -0.393
164 HA ALA 20 HA ALA 20 7.424 -1.655 -0.346
165 HB1 ALA 20 HB1 ALA 20 5.434 -0.704 -2.412
166 HB2 ALA 20 HB2 ALA 20 5.641 -2.327 -1.754
167 HB3 ALA 20 HB3 ALA 20 6.829 -1.677 -2.883
168 H GLY 21 HN GLY 21 6.635 1.515 -1.825
169 HA2 GLY 21 HA2 GLY 21 9.210 1.867 -3.078
170 HA3 GLY 21 HA3 GLY 21 8.035 3.148 -2.777
171 H VAL 22 HN VAL 22 7.811 3.295 -0.094
172 HA VAL 22 HA VAL 22 10.238 4.593 0.752
173 HB VAL 22 HB VAL 22 7.776 3.607 2.240
174 HG11 VAL 22 HG11 VAL 22 8.546 5.509 3.849
175 HG12 VAL 22 HG12 VAL 22 10.131 5.276 3.111
176 HG13 VAL 22 HG13 VAL 22 9.348 3.943 3.960
177 HG21 VAL 22 HG21 VAL 22 8.304 6.488 1.721
178 HG22 VAL 22 HG22 VAL 22 6.783 5.599 1.678
179 HG23 VAL 22 HG23 VAL 22 7.893 5.511 0.312
180 H GLY 23 HN GLY 23 8.891 1.352 1.383
181 HA2 GLY 23 HA2 GLY 23 10.738 0.554 3.409
182 HA3 GLY 23 HA3 GLY 23 9.857 -0.551 2.354
183 H ILE 24 HN ILE 24 10.845 0.095 -0.148
184 HA ILE 24 HA ILE 24 13.397 -1.243 -0.188
185 HB ILE 24 HB ILE 24 11.790 0.369 -2.197
186 HG12 ILE 24 HG12 ILE 24 10.903 -1.837 -1.372
187 HG13 ILE 24 HG13 ILE 24 11.225 -1.813 -3.105
188 HG21 ILE 24 HG21 ILE 24 13.995 0.572 -3.040
189 HG22 ILE 24 HG22 ILE 24 13.335 -0.827 -3.887
190 HG23 ILE 24 HG23 ILE 24 14.433 -1.057 -2.526
191 HD11 ILE 24 HD11 ILE 24 13.389 -2.930 -2.729
192 HD12 ILE 24 HD12 ILE 24 12.071 -3.891 -2.058
193 HD13 ILE 24 HD13 ILE 24 13.095 -2.930 -0.991
194 H TYR 25 HN TYR 25 12.487 2.218 -0.272
195 HA TYR 25 HA TYR 25 15.091 3.243 -0.937
196 HB2 TYR 25 HB2 TYR 25 12.740 4.370 -0.824
197 HB3 TYR 25 HB3 TYR 25 13.122 4.626 0.880
198 HD1 TYR 25 HD1 TYR 25 14.995 6.063 1.559
199 HD2 TYR 25 HD2 TYR 25 14.003 5.494 -2.583
200 HE1 TYR 25 HE1 TYR 25 16.411 8.007 0.951
201 HE2 TYR 25 HE2 TYR 25 15.417 7.439 -3.188
202 HH TYR 25 HH TYR 25 16.245 9.718 -1.471
203 H LEU 26 HN LEU 26 13.673 2.084 2.073
204 HA LEU 26 HA LEU 26 15.803 3.146 3.789
205 HB2 LEU 26 HB2 LEU 26 13.278 1.659 3.990
206 HB3 LEU 26 HB3 LEU 26 14.503 1.064 5.110
207 HG LEU 26 HG LEU 26 14.878 3.633 5.592
208 HD11 LEU 26 HD11 LEU 26 12.858 4.962 5.364
209 HD12 LEU 26 HD12 LEU 26 11.980 3.582 4.704
210 HD13 LEU 26 HD13 LEU 26 13.287 4.320 3.778
211 HD21 LEU 26 HD21 LEU 26 12.438 2.135 6.606
212 HD22 LEU 26 HD22 LEU 26 13.241 3.477 7.423
213 HD23 LEU 26 HD23 LEU 26 14.079 1.939 7.222
214 H LEU 27 HN LEU 27 15.188 0.268 1.884
215 HA LEU 27 HA LEU 27 17.807 -0.884 2.785
216 HB2 LEU 27 HB2 LEU 27 15.362 -1.842 3.457
217 HB3 LEU 27 HB3 LEU 27 15.580 -2.668 1.915
218 HG LEU 27 HG LEU 27 16.428 -4.026 3.812
219 HD11 LEU 27 HD11 LEU 27 17.509 -4.109 1.535
220 HD12 LEU 27 HD12 LEU 27 18.575 -4.581 2.859
221 HD13 LEU 27 HD13 LEU 27 18.724 -2.980 2.135
222 HD21 LEU 27 HD21 LEU 27 17.769 -3.186 5.438
223 HD22 LEU 27 HD22 LEU 27 17.284 -1.603 4.830
224 HD23 LEU 27 HD23 LEU 27 18.791 -2.337 4.279
225 HA PRO 28 HA PRO 28 17.402 -0.856 -1.869
226 HB2 PRO 28 HB2 PRO 28 18.599 1.512 -2.549
227 HB3 PRO 28 HB3 PRO 28 16.863 1.354 -2.226
228 HG2 PRO 28 HG2 PRO 28 18.906 2.680 -0.644
229 HG3 PRO 28 HG3 PRO 28 17.151 2.773 -0.518
230 HD2 PRO 28 HD2 PRO 28 19.004 1.219 1.089
231 HD3 PRO 28 HD3 PRO 28 17.274 1.496 1.334
232 H ASN 29 HN ASN 29 20.027 -0.108 0.318
233 HA ASN 29 HA ASN 29 22.082 -0.935 -1.679
234 HB2 ASN 29 HB2 ASN 29 21.978 1.101 0.120
235 HB3 ASN 29 HB3 ASN 29 22.796 -0.125 1.089
236 HD21 ASN 29 HD21 ASN 29 24.752 -1.205 -0.060
237 HD22 ASN 29 HD22 ASN 29 25.696 -0.214 -1.065
238 H ARG 30 HN ARG 30 20.075 -2.535 0.382
239 HA ARG 30 HA ARG 30 20.139 -4.659 1.384
240 HB2 ARG 30 HB2 ARG 30 22.087 -4.576 -0.746
241 HB3 ARG 30 HB3 ARG 30 22.673 -5.619 0.548
242 HG2 ARG 30 HG2 ARG 30 19.815 -5.979 -0.072
243 HG3 ARG 30 HG3 ARG 30 20.896 -6.393 -1.403
244 HD2 ARG 30 HD2 ARG 30 20.986 -8.418 -0.297
245 HD3 ARG 30 HD3 ARG 30 22.220 -7.578 0.664
246 HE ARG 30 HE ARG 30 19.446 -7.167 1.574
247 HH11 ARG 30 HH11 ARG 30 19.816 -10.042 1.962
248 HH12 ARG 30 HH12 ARG 30 20.625 -10.146 3.490
249 HH21 ARG 30 HH21 ARG 30 21.613 -6.809 3.487
250 HH22 ARG 30 HH22 ARG 30 21.643 -8.307 4.359
Start of MODEL 11
1 HA HIS 1 HA HIS 1 -16.557 10.147 1.881
2 HB2 HIS 1 HB2 HIS 1 -18.975 11.847 1.671
3 HB3 HIS 1 HB3 HIS 1 -17.794 12.383 2.866
4 HD1 HIS 1 HD1 HIS 1 -15.162 12.195 1.777
5 HD2 HIS 1 HD2 HIS 1 -18.364 12.878 -0.805
6 HE1 HIS 1 HE1 HIS 1 -14.177 13.161 -0.346
7 H SER 2 HN SER 2 -16.460 11.555 4.215
8 HA SER 2 HA SER 2 -16.441 11.325 6.560
9 HB2 SER 2 HB2 SER 2 -19.017 11.279 5.750
10 HB3 SER 2 HB3 SER 2 -18.924 9.670 6.459
11 HG SER 2 HG SER 2 -19.475 11.110 8.069
12 H VAL 3 HN VAL 3 -14.584 9.796 6.000
13 HA VAL 3 HA VAL 3 -13.419 7.784 6.383
14 HB VAL 3 HB VAL 3 -15.835 7.234 8.140
15 HG11 VAL 3 HG11 VAL 3 -14.704 5.278 8.402
16 HG12 VAL 3 HG12 VAL 3 -13.626 6.237 9.416
17 HG13 VAL 3 HG13 VAL 3 -13.214 5.937 7.729
18 HG21 VAL 3 HG21 VAL 3 -15.087 9.304 8.931
19 HG22 VAL 3 HG22 VAL 3 -13.412 8.983 8.482
20 HG23 VAL 3 HG23 VAL 3 -14.114 8.191 9.893
21 H SER 4 HN SER 4 -14.247 7.476 4.013
22 HA SER 4 HA SER 4 -15.688 4.866 3.883
23 HB2 SER 4 HB2 SER 4 -17.086 6.989 3.420
24 HB3 SER 4 HB3 SER 4 -16.149 7.122 1.935
25 HG SER 4 HG SER 4 -18.029 5.207 2.725
26 H HIS 5 HN HIS 5 -14.192 7.187 1.631
27 HA HIS 5 HA HIS 5 -12.588 4.918 0.495
28 HB2 HIS 5 HB2 HIS 5 -14.351 6.901 -0.630
29 HB3 HIS 5 HB3 HIS 5 -12.734 7.126 -1.295
30 HD1 HIS 5 HD1 HIS 5 -12.484 5.830 -3.398
31 HD2 HIS 5 HD2 HIS 5 -14.848 3.792 -0.633
32 HE1 HIS 5 HE1 HIS 5 -13.099 3.619 -4.470
33 H ALA 6 HN ALA 6 -11.773 6.607 2.784
34 HA ALA 6 HA ALA 6 -9.078 7.242 1.986
35 HB1 ALA 6 HB1 ALA 6 -11.044 9.534 2.338
36 HB2 ALA 6 HB2 ALA 6 -10.223 9.090 0.842
37 HB3 ALA 6 HB3 ALA 6 -9.297 9.730 2.199
38 H ARG 7 HN ARG 7 -10.095 5.751 4.133
39 HA ARG 7 HA ARG 7 -8.832 7.013 6.412
40 HB2 ARG 7 HB2 ARG 7 -11.584 7.635 5.861
41 HB3 ARG 7 HB3 ARG 7 -11.503 6.714 7.361
42 HG2 ARG 7 HG2 ARG 7 -9.724 9.099 6.795
43 HG3 ARG 7 HG3 ARG 7 -11.272 9.231 7.629
44 HD2 ARG 7 HD2 ARG 7 -9.131 7.306 8.575
45 HD3 ARG 7 HD3 ARG 7 -9.195 8.989 9.134
46 HE ARG 7 HE ARG 7 -11.703 8.376 9.663
47 HH11 ARG 7 HH21 ARG 7 -11.092 5.446 9.014
48 HH12 ARG 7 HH22 ARG 7 -10.836 4.804 10.600
49 HH21 ARG 7 HH11 ARG 7 -10.458 7.922 12.090
50 HH22 ARG 7 HH12 ARG 7 -10.478 6.208 12.348
51 HA PRO 8 HA PRO 8 -10.716 2.912 7.901
52 HB2 PRO 8 HB2 PRO 8 -12.577 1.607 6.374
53 HB3 PRO 8 HB3 PRO 8 -12.995 2.835 7.585
54 HG2 PRO 8 HG2 PRO 8 -12.886 3.054 4.633
55 HG3 PRO 8 HG3 PRO 8 -13.947 3.864 5.791
56 HD2 PRO 8 HD2 PRO 8 -11.747 5.012 4.564
57 HD3 PRO 8 HD3 PRO 8 -12.521 5.607 6.047
58 H ARG 9 HN ARG 9 -11.430 1.762 4.607
59 HA ARG 9 HA ARG 9 -8.669 0.605 4.440
60 HB2 ARG 9 HB2 ARG 9 -11.352 -0.788 4.105
61 HB3 ARG 9 HB3 ARG 9 -9.801 -1.524 3.701
62 HG2 ARG 9 HG2 ARG 9 -9.300 -0.633 6.232
63 HG3 ARG 9 HG3 ARG 9 -11.015 -1.019 6.351
64 HD2 ARG 9 HD2 ARG 9 -10.342 -3.173 6.679
65 HD3 ARG 9 HD3 ARG 9 -9.956 -3.190 4.947
66 HE ARG 9 HE ARG 9 -7.667 -3.018 5.515
67 HH11 ARG 9 HH21 ARG 9 -8.446 -4.207 8.207
68 HH12 ARG 9 HH22 ARG 9 -7.697 -3.093 9.301
69 HH21 ARG 9 HH11 ARG 9 -7.238 -0.635 6.884
70 HH22 ARG 9 HH12 ARG 9 -7.010 -1.059 8.549
71 H TRP 10 HN TRP 10 -11.733 0.629 2.528
72 HA TRP 10 HA TRP 10 -10.797 0.411 -0.050
73 HB2 TRP 10 HB2 TRP 10 -13.024 1.750 1.321
74 HB3 TRP 10 HB3 TRP 10 -12.648 2.477 -0.241
75 HD1 TRP 10 HD1 TRP 10 -14.344 -0.441 1.301
76 HE1 TRP 10 HE1 TRP 10 -15.099 -2.102 -0.521
77 HE3 TRP 10 HE3 TRP 10 -11.822 1.447 -2.720
78 HZ2 TRP 10 HZ2 TRP 10 -14.690 -2.567 -3.313
79 HZ3 TRP 10 HZ3 TRP 10 -12.024 0.378 -4.946
80 HH2 TRP 10 HH2 TRP 10 -13.453 -1.626 -5.248
81 H PHE 11 HN PHE 11 -9.593 1.588 -1.467
82 HA PHE 11 HA PHE 11 -8.461 3.424 -2.447
83 HB2 PHE 11 HB2 PHE 11 -10.380 4.671 -1.051
84 HB3 PHE 11 HB3 PHE 11 -8.989 5.184 -0.094
85 HD1 PHE 11 HD1 PHE 11 -10.445 5.151 -3.513
86 HD2 PHE 11 HD2 PHE 11 -7.403 6.764 -0.945
87 HE1 PHE 11 HE1 PHE 11 -9.871 6.827 -5.249
88 HE2 PHE 11 HE2 PHE 11 -6.827 8.441 -2.682
89 HZ PHE 11 HZ PHE 11 -8.062 8.471 -4.832
90 H TRP 12 HN TRP 12 -7.850 2.046 0.630
91 HA TRP 12 HA TRP 12 -5.262 3.418 1.017
92 HB2 TRP 12 HB2 TRP 12 -5.386 2.543 3.139
93 HB3 TRP 12 HB3 TRP 12 -7.090 2.533 2.737
94 HD1 TRP 12 HD1 TRP 12 -5.373 0.561 4.753
95 HE1 TRP 12 HE1 TRP 12 -5.710 -1.976 4.503
96 HE3 TRP 12 HE3 TRP 12 -7.316 0.362 0.017
97 HZ2 TRP 12 HZ2 TRP 12 -6.672 -3.841 2.578
98 HZ3 TRP 12 HZ3 TRP 12 -7.935 -1.811 -0.985
99 HH2 TRP 12 HH2 TRP 12 -7.617 -3.913 0.288
100 H PHE 13 HN PHE 13 -6.081 1.325 -1.215
101 HA PHE 13 HA PHE 13 -4.236 -0.882 -0.877
102 HB2 PHE 13 HB2 PHE 13 -5.995 -1.381 -2.306
103 HB3 PHE 13 HB3 PHE 13 -6.061 0.254 -2.955
104 HD1 PHE 13 HD2 PHE 13 -3.961 -2.845 -2.956
105 HD2 PHE 13 HD1 PHE 13 -5.042 0.768 -5.013
106 HE1 PHE 13 HE2 PHE 13 -2.626 -3.563 -4.918
107 HE2 PHE 13 HE1 PHE 13 -3.706 0.049 -6.977
108 HZ PHE 13 HZ PHE 13 -2.498 -2.116 -6.929
109 H SER 14 HN SER 14 -4.169 2.188 -2.638
110 HA SER 14 HA SER 14 -1.588 1.845 -3.859
111 HB2 SER 14 HB2 SER 14 -3.663 3.796 -3.685
112 HB3 SER 14 HB3 SER 14 -2.156 4.596 -3.243
113 HG SER 14 HG SER 14 -2.983 3.532 -5.655
114 H LEU 15 HN LEU 15 -2.664 3.004 -0.731
115 HA LEU 15 HA LEU 15 -0.165 4.095 0.209
116 HB2 LEU 15 HB2 LEU 15 -2.575 4.354 1.093
117 HB3 LEU 15 HB3 LEU 15 -2.344 2.781 1.856
118 HG LEU 15 HG LEU 15 -0.165 3.821 2.825
119 HD11 LEU 15 HD11 LEU 15 -1.754 6.331 2.207
120 HD12 LEU 15 HD12 LEU 15 -0.280 5.847 1.369
121 HD13 LEU 15 HD13 LEU 15 -0.227 6.249 3.085
122 HD21 LEU 15 HD21 LEU 15 -1.376 4.574 4.768
123 HD22 LEU 15 HD22 LEU 15 -2.310 3.257 4.059
124 HD23 LEU 15 HD23 LEU 15 -2.811 4.928 3.807
125 H LEU 16 HN LEU 16 -1.661 0.859 0.392
126 HA LEU 16 HA LEU 16 0.353 -0.382 2.023
127 HB2 LEU 16 HB2 LEU 16 -2.042 -1.130 1.358
128 HB3 LEU 16 HB3 LEU 16 -1.298 -1.725 -0.127
129 HG LEU 16 HG LEU 16 0.073 -2.508 2.384
130 HD11 LEU 16 HD11 LEU 16 -1.544 -4.250 2.931
131 HD12 LEU 16 HD12 LEU 16 -2.587 -3.742 1.603
132 HD13 LEU 16 HD13 LEU 16 -2.348 -2.681 2.990
133 HD21 LEU 16 HD21 LEU 16 -0.878 -4.339 0.199
134 HD22 LEU 16 HD22 LEU 16 0.609 -4.412 1.143
135 HD23 LEU 16 HD23 LEU 16 0.436 -3.213 -0.137
136 H LEU 17 HN LEU 17 -0.023 0.027 -1.456
137 HA LEU 17 HA LEU 17 2.247 -1.532 -2.285
138 HB2 LEU 17 HB2 LEU 17 0.162 -0.343 -3.509
139 HB3 LEU 17 HB3 LEU 17 1.383 0.897 -3.792
140 HG LEU 17 HG LEU 17 2.846 -1.224 -4.494
141 HD11 LEU 17 HD11 LEU 17 -0.017 -2.055 -5.066
142 HD12 LEU 17 HD12 LEU 17 1.088 -2.858 -3.950
143 HD13 LEU 17 HD13 LEU 17 1.421 -2.868 -5.682
144 HD21 LEU 17 HD21 LEU 17 2.719 0.202 -6.260
145 HD22 LEU 17 HD22 LEU 17 1.037 0.612 -5.921
146 HD23 LEU 17 HD23 LEU 17 1.423 -0.851 -6.826
147 H LEU 18 HN LEU 18 1.815 1.752 -1.172
148 HA LEU 18 HA LEU 18 4.447 2.743 -1.857
149 HB2 LEU 18 HB2 LEU 18 2.031 3.774 -1.027
150 HB3 LEU 18 HB3 LEU 18 3.004 3.931 0.433
151 HG LEU 18 HG LEU 18 3.190 5.957 -0.941
152 HD11 LEU 18 HD11 LEU 18 5.554 6.153 -0.901
153 HD12 LEU 18 HD12 LEU 18 5.784 4.437 -1.236
154 HD13 LEU 18 HD13 LEU 18 5.185 4.956 0.339
155 HD21 LEU 18 HD21 LEU 18 3.232 5.821 -3.187
156 HD22 LEU 18 HD22 LEU 18 3.235 4.062 -3.072
157 HD23 LEU 18 HD23 LEU 18 4.761 4.945 -3.121
158 H ALA 19 HN ALA 19 3.043 1.094 0.913
159 HA ALA 19 HA ALA 19 5.080 1.525 2.860
160 HB1 ALA 19 HB1 ALA 19 4.011 -0.265 3.993
161 HB2 ALA 19 HB2 ALA 19 3.566 -1.063 2.485
162 HB3 ALA 19 HB3 ALA 19 2.734 0.411 2.981
163 H ALA 20 HN ALA 20 4.813 -0.910 0.263
164 HA ALA 20 HA ALA 20 7.132 -2.459 0.954
165 HB1 ALA 20 HB1 ALA 20 6.923 -3.189 -1.431
166 HB2 ALA 20 HB2 ALA 20 5.766 -1.886 -1.701
167 HB3 ALA 20 HB3 ALA 20 5.372 -3.200 -0.592
168 H GLY 21 HN GLY 21 6.681 0.402 -1.135
169 HA2 GLY 21 HA2 GLY 21 9.366 0.547 -2.125
170 HA3 GLY 21 HA3 GLY 21 8.237 1.901 -2.051
171 H VAL 22 HN VAL 22 7.817 1.819 0.811
172 HA VAL 22 HA VAL 22 9.967 3.470 1.738
173 HB VAL 22 HB VAL 22 7.881 1.844 3.245
174 HG11 VAL 22 HG11 VAL 22 8.212 3.484 5.049
175 HG12 VAL 22 HG12 VAL 22 9.469 4.284 4.105
176 HG13 VAL 22 HG13 VAL 22 9.721 2.642 4.699
177 HG21 VAL 22 HG21 VAL 22 6.363 3.383 2.587
178 HG22 VAL 22 HG22 VAL 22 7.561 3.970 1.434
179 HG23 VAL 22 HG23 VAL 22 7.435 4.711 3.029
180 H GLY 23 HN GLY 23 9.272 -0.008 2.185
181 HA2 GLY 23 HA2 GLY 23 11.427 -0.567 3.988
182 HA3 GLY 23 HA3 GLY 23 10.634 -1.758 2.955
183 H ILE 24 HN ILE 24 11.197 -0.729 0.421
184 HA ILE 24 HA ILE 24 13.932 -1.599 0.000
185 HB ILE 24 HB ILE 24 11.932 -0.117 -1.755
186 HG12 ILE 24 HG12 ILE 24 12.605 -3.010 -2.086
187 HG13 ILE 24 HG13 ILE 24 11.578 -2.570 -0.722
188 HG21 ILE 24 HG21 ILE 24 14.527 -1.538 -2.416
189 HG22 ILE 24 HG22 ILE 24 14.135 0.158 -2.706
190 HG23 ILE 24 HG23 ILE 24 13.317 -1.106 -3.625
191 HD11 ILE 24 HD11 ILE 24 11.072 -1.940 -3.643
192 HD12 ILE 24 HD12 ILE 24 10.095 -1.322 -2.311
193 HD13 ILE 24 HD13 ILE 24 10.156 -3.055 -2.629
194 H TYR 25 HN TYR 25 12.372 1.579 0.357
195 HA TYR 25 HA TYR 25 14.522 3.227 -0.564
196 HB2 TYR 25 HB2 TYR 25 12.171 3.933 -0.072
197 HB3 TYR 25 HB3 TYR 25 12.503 3.734 1.650
198 HD1 TYR 25 HD2 TYR 25 13.380 5.671 -1.390
199 HD2 TYR 25 HD1 TYR 25 13.832 5.327 2.868
200 HE1 TYR 25 HE2 TYR 25 14.379 7.939 -1.312
201 HE2 TYR 25 HE1 TYR 25 14.832 7.594 2.945
202 HH TYR 25 HH TYR 25 14.568 9.777 1.209
203 H LEU 26 HN LEU 26 14.125 1.345 2.352
204 HA LEU 26 HA LEU 26 16.182 2.774 3.889
205 HB2 LEU 26 HB2 LEU 26 14.224 0.595 4.215
206 HB3 LEU 26 HB3 LEU 26 15.740 0.302 5.063
207 HG LEU 26 HG LEU 26 14.166 1.492 6.525
208 HD11 LEU 26 HD11 LEU 26 16.195 3.558 5.704
209 HD12 LEU 26 HD12 LEU 26 16.724 2.021 6.389
210 HD13 LEU 26 HD13 LEU 26 15.679 3.090 7.325
211 HD21 LEU 26 HD21 LEU 26 14.196 3.572 4.315
212 HD22 LEU 26 HD22 LEU 26 13.515 3.839 5.920
213 HD23 LEU 26 HD23 LEU 26 12.809 2.624 4.853
214 H LEU 27 HN LEU 27 15.993 0.077 1.642
215 HA LEU 27 HA LEU 27 18.926 -0.428 2.036
216 HB2 LEU 27 HB2 LEU 27 17.188 -2.141 2.879
217 HB3 LEU 27 HB3 LEU 27 16.860 -2.461 1.175
218 HG LEU 27 HG LEU 27 19.658 -2.487 1.372
219 HD11 LEU 27 HD11 LEU 27 18.445 -4.113 3.627
220 HD12 LEU 27 HD12 LEU 27 19.342 -2.611 3.858
221 HD13 LEU 27 HD13 LEU 27 20.150 -4.027 3.185
222 HD21 LEU 27 HD21 LEU 27 17.681 -4.792 1.395
223 HD22 LEU 27 HD22 LEU 27 19.377 -4.905 0.923
224 HD23 LEU 27 HD23 LEU 27 18.257 -3.943 -0.041
225 HA PRO 28 HA PRO 28 17.878 0.150 -2.503
226 HB2 PRO 28 HB2 PRO 28 18.099 2.847 -2.900
227 HB3 PRO 28 HB3 PRO 28 16.577 2.056 -2.452
228 HG2 PRO 28 HG2 PRO 28 18.291 3.795 -0.860
229 HG3 PRO 28 HG3 PRO 28 16.616 3.311 -0.591
230 HD2 PRO 28 HD2 PRO 28 19.006 2.276 0.655
231 HD3 PRO 28 HD3 PRO 28 17.316 1.893 1.005
232 H ASN 29 HN ASN 29 20.338 1.544 -0.437
233 HA ASN 29 HA ASN 29 22.272 1.775 -2.698
234 HB2 ASN 29 HB2 ASN 29 22.685 2.487 0.215
235 HB3 ASN 29 HB3 ASN 29 23.517 3.146 -1.193
236 HD21 ASN 29 HD21 ASN 29 21.726 4.125 -2.876
237 HD22 ASN 29 HD22 ASN 29 20.595 5.153 -2.141
238 H ARG 30 HN ARG 30 21.799 0.098 0.415
239 HA ARG 30 HA ARG 30 23.556 -2.097 -0.483
240 HB2 ARG 30 HB2 ARG 30 24.482 0.093 1.103
241 HB3 ARG 30 HB3 ARG 30 24.415 -1.323 2.150
242 HG2 ARG 30 HG2 ARG 30 26.370 -1.977 1.239
243 HG3 ARG 30 HG3 ARG 30 25.489 -2.274 -0.259
244 HD2 ARG 30 HD2 ARG 30 26.035 -0.126 -1.136
245 HD3 ARG 30 HD3 ARG 30 26.550 0.475 0.453
246 HE ARG 30 HE ARG 30 28.485 -1.062 0.325
247 HH11 ARG 30 HH11 ARG 30 27.580 -3.072 -1.613
248 HH12 ARG 30 HH12 ARG 30 28.359 -2.591 -3.083
249 HH21 ARG 30 HH21 ARG 30 29.067 0.623 -1.961
250 HH22 ARG 30 HH22 ARG 30 29.202 -0.489 -3.281
Start of MODEL 12
1 HA HIS 1 HA HIS 1 -4.163 10.844 0.610
2 HB2 HIS 1 HB2 HIS 1 -4.166 12.981 2.756
3 HB3 HIS 1 HB3 HIS 1 -3.936 11.277 3.146
4 HD1 HIS 1 HD1 HIS 1 -2.063 14.215 2.245
5 HD2 HIS 1 HD2 HIS 1 -1.661 10.137 1.471
6 HE1 HIS 1 HE1 HIS 1 0.335 13.856 1.518
7 H SER 2 HN SER 2 -5.706 9.301 1.064
8 HA SER 2 HA SER 2 -8.379 10.247 2.043
9 HB2 SER 2 HB2 SER 2 -8.124 9.253 -0.268
10 HB3 SER 2 HB3 SER 2 -7.640 7.741 0.498
11 HG SER 2 HG SER 2 -9.641 7.512 1.325
12 H VAL 3 HN VAL 3 -6.461 9.809 4.034
13 HA VAL 3 HA VAL 3 -7.140 7.096 5.128
14 HB VAL 3 HB VAL 3 -4.894 8.972 5.938
15 HG11 VAL 3 HG11 VAL 3 -5.885 6.514 6.975
16 HG12 VAL 3 HG12 VAL 3 -4.434 7.386 7.466
17 HG13 VAL 3 HG13 VAL 3 -4.340 6.163 6.199
18 HG21 VAL 3 HG21 VAL 3 -4.979 6.810 3.814
19 HG22 VAL 3 HG22 VAL 3 -3.472 7.401 4.517
20 HG23 VAL 3 HG23 VAL 3 -4.513 8.499 3.611
21 H SER 4 HN SER 4 -8.958 9.399 5.314
22 HA SER 4 HA SER 4 -8.725 10.321 8.122
23 HB2 SER 4 HB2 SER 4 -9.290 11.857 6.237
24 HB3 SER 4 HB3 SER 4 -10.754 10.921 5.951
25 HG SER 4 HG SER 4 -11.059 12.795 7.299
26 H HIS 5 HN HIS 5 -10.747 8.275 6.099
27 HA HIS 5 HA HIS 5 -12.553 7.650 8.373
28 HB2 HIS 5 HB2 HIS 5 -13.124 8.174 5.850
29 HB3 HIS 5 HB3 HIS 5 -12.717 6.477 5.608
30 HD1 HIS 5 HD1 HIS 5 -15.124 5.667 5.195
31 HD2 HIS 5 HD2 HIS 5 -14.674 7.665 8.829
32 HE1 HIS 5 HE1 HIS 5 -17.265 5.289 6.493
33 H ALA 6 HN ALA 6 -9.582 6.596 7.728
34 HA ALA 6 HA ALA 6 -8.400 4.583 8.043
35 HB1 ALA 6 HB1 ALA 6 -9.771 4.979 10.183
36 HB2 ALA 6 HB2 ALA 6 -9.212 3.330 9.910
37 HB3 ALA 6 HB3 ALA 6 -10.886 3.760 9.564
38 H ARG 7 HN ARG 7 -8.955 4.261 5.623
39 HA ARG 7 HA ARG 7 -11.024 2.242 5.043
40 HB2 ARG 7 HB2 ARG 7 -8.994 3.818 3.450
41 HB3 ARG 7 HB3 ARG 7 -10.001 2.579 2.700
42 HG2 ARG 7 HG2 ARG 7 -11.609 4.330 4.365
43 HG3 ARG 7 HG3 ARG 7 -10.704 5.264 3.173
44 HD2 ARG 7 HD2 ARG 7 -12.794 4.621 2.133
45 HD3 ARG 7 HD3 ARG 7 -11.534 3.597 1.417
46 HE ARG 7 HE ARG 7 -12.441 2.233 3.711
47 HH11 ARG 7 HH21 ARG 7 -15.106 3.324 2.960
48 HH12 ARG 7 HH22 ARG 7 -15.700 2.131 1.854
49 HH21 ARG 7 HH11 ARG 7 -12.575 0.701 1.329
50 HH22 ARG 7 HH12 ARG 7 -14.258 0.635 0.925
51 HA PRO 8 HA PRO 8 -7.957 -0.983 5.671
52 HB2 PRO 8 HB2 PRO 8 -9.699 -3.075 5.405
53 HB3 PRO 8 HB3 PRO 8 -9.559 -2.120 6.893
54 HG2 PRO 8 HG2 PRO 8 -11.617 -2.002 4.757
55 HG3 PRO 8 HG3 PRO 8 -11.786 -1.780 6.504
56 HD2 PRO 8 HD2 PRO 8 -11.718 0.270 4.669
57 HD3 PRO 8 HD3 PRO 8 -11.309 0.443 6.389
58 H ARG 9 HN ARG 9 -10.232 -0.682 2.984
59 HA ARG 9 HA ARG 9 -8.206 -1.906 1.167
60 HB2 ARG 9 HB2 ARG 9 -10.939 -2.840 1.870
61 HB3 ARG 9 HB3 ARG 9 -10.563 -2.852 0.148
62 HG2 ARG 9 HG2 ARG 9 -8.685 -4.038 2.197
63 HG3 ARG 9 HG3 ARG 9 -9.985 -4.980 1.466
64 HD2 ARG 9 HD2 ARG 9 -9.074 -4.446 -0.795
65 HD3 ARG 9 HD3 ARG 9 -7.725 -3.590 -0.020
66 HE ARG 9 HE ARG 9 -7.448 -5.897 1.245
67 HH11 ARG 9 HH21 ARG 9 -5.963 -5.577 -1.352
68 HH12 ARG 9 HH22 ARG 9 -6.440 -7.000 -2.217
69 HH21 ARG 9 HH11 ARG 9 -9.155 -7.663 -0.150
70 HH22 ARG 9 HH12 ARG 9 -8.256 -8.184 -1.534
71 H TRP 10 HN TRP 10 -9.658 -1.708 -1.196
72 HA TRP 10 HA TRP 10 -10.335 -0.199 -2.868
73 HB2 TRP 10 HB2 TRP 10 -11.531 0.946 -0.345
74 HB3 TRP 10 HB3 TRP 10 -11.709 1.798 -1.876
75 HD1 TRP 10 HD1 TRP 10 -13.186 0.676 -3.760
76 HE1 TRP 10 HE1 TRP 10 -14.937 -1.215 -3.694
77 HE3 TRP 10 HE3 TRP 10 -12.156 -1.325 0.824
78 HZ2 TRP 10 HZ2 TRP 10 -15.789 -3.300 -1.930
79 HZ3 TRP 10 HZ3 TRP 10 -13.449 -3.260 1.672
80 HH2 TRP 10 HH2 TRP 10 -15.264 -4.250 0.301
81 H PHE 11 HN PHE 11 -9.836 2.307 -0.381
82 HA PHE 11 HA PHE 11 -7.771 3.568 -2.103
83 HB2 PHE 11 HB2 PHE 11 -9.865 4.429 -0.436
84 HB3 PHE 11 HB3 PHE 11 -8.395 4.865 0.434
85 HD1 PHE 11 HD2 PHE 11 -6.477 5.905 -1.123
86 HD2 PHE 11 HD1 PHE 11 -10.679 5.930 -2.017
87 HE1 PHE 11 HE2 PHE 11 -6.139 7.826 -2.655
88 HE2 PHE 11 HE1 PHE 11 -10.341 7.849 -3.550
89 HZ PHE 11 HZ PHE 11 -8.072 8.797 -3.870
90 H TRP 12 HN TRP 12 -7.480 1.072 -0.169
91 HA TRP 12 HA TRP 12 -5.244 2.093 1.517
92 HB2 TRP 12 HB2 TRP 12 -7.070 0.929 2.638
93 HB3 TRP 12 HB3 TRP 12 -6.923 -0.431 1.529
94 HD1 TRP 12 HD1 TRP 12 -5.140 -2.221 2.021
95 HE1 TRP 12 HE1 TRP 12 -3.450 -2.591 3.930
96 HE3 TRP 12 HE3 TRP 12 -5.484 2.288 4.387
97 HZ2 TRP 12 HZ2 TRP 12 -2.381 -1.161 6.168
98 HZ3 TRP 12 HZ3 TRP 12 -4.123 2.758 6.403
99 HH2 TRP 12 HH2 TRP 12 -2.573 1.042 7.296
100 H PHE 13 HN PHE 13 -5.927 0.092 -1.244
101 HA PHE 13 HA PHE 13 -3.638 -1.621 -1.228
102 HB2 PHE 13 HB2 PHE 13 -5.613 -1.891 -2.683
103 HB3 PHE 13 HB3 PHE 13 -5.209 -0.389 -3.515
104 HD1 PHE 13 HD1 PHE 13 -3.795 -3.751 -2.668
105 HD2 PHE 13 HD2 PHE 13 -3.790 -0.419 -5.379
106 HE1 PHE 13 HE1 PHE 13 -2.294 -5.000 -4.199
107 HE2 PHE 13 HE2 PHE 13 -2.289 -1.668 -6.911
108 HZ PHE 13 HZ PHE 13 -1.541 -3.958 -6.320
109 H SER 14 HN SER 14 -4.130 1.589 -2.656
110 HA SER 14 HA SER 14 -1.508 1.891 -3.773
111 HB2 SER 14 HB2 SER 14 -2.147 4.355 -3.634
112 HB3 SER 14 HB3 SER 14 -3.318 3.328 -4.455
113 HG SER 14 HG SER 14 -4.453 4.537 -2.998
114 H LEU 15 HN LEU 15 -2.838 2.451 -0.577
115 HA LEU 15 HA LEU 15 -0.623 3.878 0.588
116 HB2 LEU 15 HB2 LEU 15 -3.154 3.162 1.311
117 HB3 LEU 15 HB3 LEU 15 -2.222 1.982 2.235
118 HG LEU 15 HG LEU 15 -0.877 4.447 2.545
119 HD11 LEU 15 HD11 LEU 15 -3.103 5.391 1.704
120 HD12 LEU 15 HD12 LEU 15 -2.547 5.990 3.266
121 HD13 LEU 15 HD13 LEU 15 -3.814 4.766 3.192
122 HD21 LEU 15 HD21 LEU 15 -0.790 3.362 4.527
123 HD22 LEU 15 HD22 LEU 15 -2.212 2.397 4.131
124 HD23 LEU 15 HD23 LEU 15 -2.404 3.995 4.850
125 H LEU 16 HN LEU 16 -1.463 0.407 0.418
126 HA LEU 16 HA LEU 16 0.781 -0.585 1.899
127 HB2 LEU 16 HB2 LEU 16 -1.473 -1.657 1.061
128 HB3 LEU 16 HB3 LEU 16 -0.541 -2.048 -0.382
129 HG LEU 16 HG LEU 16 0.581 -2.710 2.330
130 HD11 LEU 16 HD11 LEU 16 -1.803 -3.572 2.155
131 HD12 LEU 16 HD12 LEU 16 -0.571 -4.814 2.380
132 HD13 LEU 16 HD13 LEU 16 -1.268 -4.543 0.782
133 HD21 LEU 16 HD21 LEU 16 2.158 -3.196 0.691
134 HD22 LEU 16 HD22 LEU 16 0.934 -3.574 -0.522
135 HD23 LEU 16 HD23 LEU 16 1.294 -4.732 0.759
136 H LEU 17 HN LEU 17 0.317 0.175 -1.508
137 HA LEU 17 HA LEU 17 2.791 -0.894 -2.505
138 HB2 LEU 17 HB2 LEU 17 0.548 0.132 -3.591
139 HB3 LEU 17 HB3 LEU 17 1.576 1.563 -3.686
140 HG LEU 17 HG LEU 17 3.343 -0.009 -4.729
141 HD11 LEU 17 HD11 LEU 17 2.246 -2.126 -4.137
142 HD12 LEU 17 HD12 LEU 17 2.362 -1.976 -5.889
143 HD13 LEU 17 HD13 LEU 17 0.827 -1.671 -5.080
144 HD21 LEU 17 HD21 LEU 17 0.774 0.515 -6.260
145 HD22 LEU 17 HD22 LEU 17 2.380 0.300 -6.957
146 HD23 LEU 17 HD23 LEU 17 2.031 1.718 -5.968
147 H LEU 18 HN LEU 18 1.858 2.198 -1.125
148 HA LEU 18 HA LEU 18 4.345 3.590 -1.573
149 HB2 LEU 18 HB2 LEU 18 1.880 4.330 -0.893
150 HB3 LEU 18 HB3 LEU 18 2.522 4.161 0.740
151 HG LEU 18 HG LEU 18 4.096 5.700 -1.306
152 HD11 LEU 18 HD11 LEU 18 2.874 7.701 -0.916
153 HD12 LEU 18 HD12 LEU 18 1.969 6.982 0.417
154 HD13 LEU 18 HD13 LEU 18 1.644 6.479 -1.242
155 HD21 LEU 18 HD21 LEU 18 5.291 5.482 0.694
156 HD22 LEU 18 HD22 LEU 18 3.835 5.555 1.688
157 HD23 LEU 18 HD23 LEU 18 4.467 7.023 0.941
158 H ALA 19 HN ALA 19 3.068 1.596 1.044
159 HA ALA 19 HA ALA 19 5.165 2.032 2.964
160 HB1 ALA 19 HB1 ALA 19 4.140 0.195 4.087
161 HB2 ALA 19 HB2 ALA 19 3.582 -0.518 2.573
162 HB3 ALA 19 HB3 ALA 19 2.825 0.952 3.188
163 H ALA 20 HN ALA 20 4.759 -0.319 0.314
164 HA ALA 20 HA ALA 20 7.072 -1.931 0.861
165 HB1 ALA 20 HB1 ALA 20 5.334 -2.685 -0.628
166 HB2 ALA 20 HB2 ALA 20 6.774 -2.461 -1.621
167 HB3 ALA 20 HB3 ALA 20 5.494 -1.248 -1.638
168 H GLY 21 HN GLY 21 6.606 1.018 -1.101
169 HA2 GLY 21 HA2 GLY 21 9.263 1.123 -2.182
170 HA3 GLY 21 HA3 GLY 21 8.163 2.496 -2.051
171 H VAL 22 HN VAL 22 7.824 2.389 0.814
172 HA VAL 22 HA VAL 22 10.049 3.972 1.694
173 HB VAL 22 HB VAL 22 7.895 2.436 3.195
174 HG11 VAL 22 HG11 VAL 22 9.699 2.988 4.732
175 HG12 VAL 22 HG12 VAL 22 8.355 4.091 5.021
176 HG13 VAL 22 HG13 VAL 22 9.767 4.639 4.117
177 HG21 VAL 22 HG21 VAL 22 7.659 4.578 1.449
178 HG22 VAL 22 HG22 VAL 22 7.739 5.363 3.026
179 HG23 VAL 22 HG23 VAL 22 6.497 4.154 2.705
180 H GLY 23 HN GLY 23 9.231 0.526 2.203
181 HA2 GLY 23 HA2 GLY 23 11.419 -0.086 3.950
182 HA3 GLY 23 HA3 GLY 23 10.541 -1.264 2.976
183 H ILE 24 HN ILE 24 11.086 -0.214 0.398
184 HA ILE 24 HA ILE 24 13.709 -1.316 -0.116
185 HB ILE 24 HB ILE 24 11.776 0.377 -1.747
186 HG12 ILE 24 HG12 ILE 24 10.914 -1.831 -1.058
187 HG13 ILE 24 HG13 ILE 24 11.212 -1.795 -2.794
188 HG21 ILE 24 HG21 ILE 24 13.067 -0.566 -3.717
189 HG22 ILE 24 HG22 ILE 24 14.304 -1.077 -2.569
190 HG23 ILE 24 HG23 ILE 24 13.939 0.637 -2.767
191 HD11 ILE 24 HD11 ILE 24 12.866 -3.120 -0.642
192 HD12 ILE 24 HD12 ILE 24 13.532 -2.776 -2.237
193 HD13 ILE 24 HD13 ILE 24 12.146 -3.853 -2.075
194 H TYR 25 HN TYR 25 12.490 2.015 0.302
195 HA TYR 25 HA TYR 25 14.861 3.388 -0.566
196 HB2 TYR 25 HB2 TYR 25 12.458 4.229 -0.015
197 HB3 TYR 25 HB3 TYR 25 13.035 4.319 1.651
198 HD1 TYR 25 HD2 TYR 25 13.403 5.672 -1.757
199 HD2 TYR 25 HD1 TYR 25 14.783 5.897 2.304
200 HE1 TYR 25 HE2 TYR 25 14.522 7.827 -2.257
201 HE2 TYR 25 HE1 TYR 25 15.903 8.052 1.804
202 HH TYR 25 HH TYR 25 16.817 9.088 -0.786
203 H LEU 26 HN LEU 26 14.029 1.712 2.409
204 HA LEU 26 HA LEU 26 16.240 2.827 3.982
205 HB2 LEU 26 HB2 LEU 26 13.975 0.958 4.271
206 HB3 LEU 26 HB3 LEU 26 15.404 0.476 5.183
207 HG LEU 26 HG LEU 26 15.428 3.032 5.882
208 HD11 LEU 26 HD11 LEU 26 13.174 3.963 6.064
209 HD12 LEU 26 HD12 LEU 26 12.491 2.525 5.306
210 HD13 LEU 26 HD13 LEU 26 13.528 3.607 4.374
211 HD21 LEU 26 HD21 LEU 26 15.215 1.272 7.513
212 HD22 LEU 26 HD22 LEU 26 13.581 0.888 6.971
213 HD23 LEU 26 HD23 LEU 26 13.897 2.406 7.812
214 H LEU 27 HN LEU 27 15.713 0.159 1.767
215 HA LEU 27 HA LEU 27 18.548 -0.731 2.180
216 HB2 LEU 27 HB2 LEU 27 16.517 -2.121 3.127
217 HB3 LEU 27 HB3 LEU 27 16.313 -2.607 1.444
218 HG LEU 27 HG LEU 27 18.879 -3.115 1.543
219 HD11 LEU 27 HD11 LEU 27 19.208 -2.049 3.762
220 HD12 LEU 27 HD12 LEU 27 19.668 -3.751 3.780
221 HD13 LEU 27 HD13 LEU 27 18.131 -3.245 4.482
222 HD21 LEU 27 HD21 LEU 27 16.845 -4.728 1.479
223 HD22 LEU 27 HD22 LEU 27 17.142 -4.942 3.203
224 HD23 LEU 27 HD23 LEU 27 18.390 -5.374 2.034
225 HA PRO 28 HA PRO 28 17.453 -0.241 -2.339
226 HB2 PRO 28 HB2 PRO 28 18.228 2.333 -2.865
227 HB3 PRO 28 HB3 PRO 28 16.594 1.893 -2.336
228 HG2 PRO 28 HG2 PRO 28 18.670 3.315 -0.882
229 HG3 PRO 28 HG3 PRO 28 16.953 3.148 -0.516
230 HD2 PRO 28 HD2 PRO 28 19.194 1.707 0.628
231 HD3 PRO 28 HD3 PRO 28 17.497 1.702 1.122
232 H ASN 29 HN ASN 29 20.281 0.693 -0.473
233 HA ASN 29 HA ASN 29 22.181 0.818 -2.652
234 HB2 ASN 29 HB2 ASN 29 22.097 1.259 0.122
235 HB3 ASN 29 HB3 ASN 29 23.256 -0.054 -0.086
236 HD21 ASN 29 HD21 ASN 29 24.907 0.393 -1.989
237 HD22 ASN 29 HD22 ASN 29 25.495 1.982 -2.096
238 H ARG 30 HN ARG 30 20.840 -1.816 -0.724
239 HA ARG 30 HA ARG 30 21.044 -4.151 -0.912
240 HB2 ARG 30 HB2 ARG 30 22.207 -3.382 -3.613
241 HB3 ARG 30 HB3 ARG 30 21.539 -4.953 -3.184
242 HG2 ARG 30 HG2 ARG 30 19.809 -2.545 -2.782
243 HG3 ARG 30 HG3 ARG 30 20.059 -3.118 -4.430
244 HD2 ARG 30 HD2 ARG 30 18.179 -4.367 -3.780
245 HD3 ARG 30 HD3 ARG 30 19.495 -5.482 -3.363
246 HE ARG 30 HE ARG 30 18.626 -3.546 -1.280
247 HH11 ARG 30 HH11 ARG 30 20.354 -6.051 -0.883
248 HH12 ARG 30 HH12 ARG 30 19.216 -7.116 -0.129
249 HH21 ARG 30 HH21 ARG 30 16.446 -5.216 -1.025
250 HH22 ARG 30 HH22 ARG 30 16.995 -6.643 -0.210
Start of MODEL 13
1 HA HIS 1 HA HIS 1 -11.276 -8.174 14.380
2 HB2 HIS 1 HB2 HIS 1 -10.328 -8.625 11.667
3 HB3 HIS 1 HB3 HIS 1 -11.204 -7.099 11.775
4 HD1 HIS 1 HD1 HIS 1 -10.350 -5.400 13.681
5 HD2 HIS 1 HD2 HIS 1 -7.793 -8.582 12.832
6 HE1 HIS 1 HE1 HIS 1 -8.099 -4.792 14.667
7 H SER 2 HN SER 2 -12.777 -6.351 14.231
8 HA SER 2 HA SER 2 -15.347 -6.973 12.805
9 HB2 SER 2 HB2 SER 2 -14.853 -5.928 15.611
10 HB3 SER 2 HB3 SER 2 -16.442 -5.991 14.854
11 HG SER 2 HG SER 2 -16.333 -7.901 15.844
12 H VAL 3 HN VAL 3 -13.188 -5.238 11.872
13 HA VAL 3 HA VAL 3 -14.455 -2.533 12.160
14 HB VAL 3 HB VAL 3 -12.149 -1.736 11.482
15 HG11 VAL 3 HG11 VAL 3 -12.099 -3.490 13.945
16 HG12 VAL 3 HG12 VAL 3 -12.992 -1.971 13.873
17 HG13 VAL 3 HG13 VAL 3 -11.239 -1.973 13.681
18 HG21 VAL 3 HG21 VAL 3 -11.530 -3.982 10.436
19 HG22 VAL 3 HG22 VAL 3 -11.307 -4.586 12.078
20 HG23 VAL 3 HG23 VAL 3 -10.301 -3.267 11.480
21 H SER 4 HN SER 4 -15.705 -4.138 10.364
22 HA SER 4 HA SER 4 -14.558 -3.970 7.685
23 HB2 SER 4 HB2 SER 4 -16.639 -5.334 9.040
24 HB3 SER 4 HB3 SER 4 -17.407 -4.414 7.749
25 HG SER 4 HG SER 4 -16.754 -6.102 6.634
26 H HIS 5 HN HIS 5 -16.725 -2.024 9.622
27 HA HIS 5 HA HIS 5 -17.453 -0.309 7.303
28 HB2 HIS 5 HB2 HIS 5 -18.321 -0.567 10.188
29 HB3 HIS 5 HB3 HIS 5 -18.845 0.782 9.185
30 HD1 HIS 5 HD1 HIS 5 -20.441 -1.937 10.316
31 HD2 HIS 5 HD2 HIS 5 -19.474 -0.898 6.396
32 HE1 HIS 5 HE1 HIS 5 -22.053 -3.197 8.822
33 H ALA 6 HN ALA 6 -14.687 -0.236 8.054
34 HA ALA 6 HA ALA 6 -14.465 2.612 8.925
35 HB1 ALA 6 HB1 ALA 6 -14.146 1.183 10.896
36 HB2 ALA 6 HB2 ALA 6 -12.606 1.911 10.439
37 HB3 ALA 6 HB3 ALA 6 -12.941 0.228 10.032
38 H ARG 7 HN ARG 7 -14.178 1.210 6.290
39 HA ARG 7 HA ARG 7 -12.671 1.042 4.476
40 HB2 ARG 7 HB2 ARG 7 -12.005 3.540 6.023
41 HB3 ARG 7 HB3 ARG 7 -11.103 3.142 4.561
42 HG2 ARG 7 HG2 ARG 7 -13.265 2.958 3.323
43 HG3 ARG 7 HG3 ARG 7 -14.109 3.484 4.780
44 HD2 ARG 7 HD2 ARG 7 -12.628 5.567 4.745
45 HD3 ARG 7 HD3 ARG 7 -12.134 5.069 3.115
46 HE ARG 7 HE ARG 7 -14.625 5.054 2.557
47 HH11 ARG 7 HH11 ARG 7 -15.460 5.633 5.431
48 HH12 ARG 7 HH12 ARG 7 -15.819 7.325 5.344
49 HH21 ARG 7 HH21 ARG 7 -14.166 7.786 2.320
50 HH22 ARG 7 HH22 ARG 7 -15.083 8.549 3.575
51 HA PRO 8 HA PRO 8 -9.272 -0.713 7.230
52 HB2 PRO 8 HB2 PRO 8 -9.773 -3.365 6.767
53 HB3 PRO 8 HB3 PRO 8 -10.520 -2.457 8.096
54 HG2 PRO 8 HG2 PRO 8 -11.655 -3.221 5.453
55 HG3 PRO 8 HG3 PRO 8 -12.430 -3.170 7.044
56 HD2 PRO 8 HD2 PRO 8 -12.756 -1.240 5.140
57 HD3 PRO 8 HD3 PRO 8 -12.905 -0.940 6.886
58 H ARG 9 HN ARG 9 -10.505 -1.755 4.054
59 HA ARG 9 HA ARG 9 -7.731 -1.622 2.978
60 HB2 ARG 9 HB2 ARG 9 -8.097 -3.844 1.896
61 HB3 ARG 9 HB3 ARG 9 -8.151 -3.952 3.653
62 HG2 ARG 9 HG2 ARG 9 -10.497 -4.189 3.693
63 HG3 ARG 9 HG3 ARG 9 -10.682 -3.541 2.064
64 HD2 ARG 9 HD2 ARG 9 -11.000 -5.973 1.996
65 HD3 ARG 9 HD3 ARG 9 -9.472 -5.578 1.188
66 HE ARG 9 HE ARG 9 -8.294 -6.549 3.016
67 HH11 ARG 9 HH21 ARG 9 -10.538 -8.491 3.242
68 HH12 ARG 9 HH22 ARG 9 -10.989 -8.355 4.907
69 HH21 ARG 9 HH11 ARG 9 -9.342 -5.328 5.375
70 HH22 ARG 9 HH12 ARG 9 -10.307 -6.557 6.121
71 H TRP 10 HN TRP 10 -8.702 -2.811 0.420
72 HA TRP 10 HA TRP 10 -9.780 -2.179 -1.575
73 HB2 TRP 10 HB2 TRP 10 -11.717 -2.127 0.187
74 HB3 TRP 10 HB3 TRP 10 -11.558 -0.376 0.065
75 HD1 TRP 10 HD1 TRP 10 -11.936 0.712 -2.397
76 HE1 TRP 10 HE1 TRP 10 -13.413 -0.082 -4.356
77 HE3 TRP 10 HE3 TRP 10 -12.690 -4.149 -1.021
78 HZ2 TRP 10 HZ2 TRP 10 -14.741 -2.463 -5.223
79 HZ3 TRP 10 HZ3 TRP 10 -14.064 -5.655 -2.430
80 HH2 TRP 10 HH2 TRP 10 -15.089 -4.819 -4.527
81 H PHE 11 HN PHE 11 -10.015 0.788 0.444
82 HA PHE 11 HA PHE 11 -8.906 2.408 -1.749
83 HB2 PHE 11 HB2 PHE 11 -10.224 2.788 0.894
84 HB3 PHE 11 HB3 PHE 11 -9.159 4.087 0.358
85 HD1 PHE 11 HD1 PHE 11 -12.246 2.212 -0.364
86 HD2 PHE 11 HD2 PHE 11 -9.649 5.380 -1.659
87 HE1 PHE 11 HE1 PHE 11 -14.001 3.015 -1.919
88 HE2 PHE 11 HE2 PHE 11 -11.406 6.182 -3.215
89 HZ PHE 11 HZ PHE 11 -13.581 4.999 -3.346
90 H TRP 12 HN TRP 12 -7.690 0.802 1.107
91 HA TRP 12 HA TRP 12 -5.309 2.518 1.339
92 HB2 TRP 12 HB2 TRP 12 -6.399 0.060 2.696
93 HB3 TRP 12 HB3 TRP 12 -4.748 0.590 3.010
94 HD1 TRP 12 HD1 TRP 12 -7.567 0.726 4.879
95 HE1 TRP 12 HE1 TRP 12 -7.973 2.946 6.116
96 HE3 TRP 12 HE3 TRP 12 -4.517 3.815 2.182
97 HZ2 TRP 12 HZ2 TRP 12 -7.123 5.672 5.982
98 HZ3 TRP 12 HZ3 TRP 12 -4.337 6.215 2.760
99 HH2 TRP 12 HH2 TRP 12 -5.634 7.148 4.655
100 H PHE 13 HN PHE 13 -6.016 0.513 -1.072
101 HA PHE 13 HA PHE 13 -3.859 -1.392 -1.133
102 HB2 PHE 13 HB2 PHE 13 -5.790 -1.682 -2.539
103 HB3 PHE 13 HB3 PHE 13 -5.603 -0.070 -3.227
104 HD1 PHE 13 HD1 PHE 13 -3.697 -3.281 -2.836
105 HD2 PHE 13 HD2 PHE 13 -4.503 0.163 -5.272
106 HE1 PHE 13 HE1 PHE 13 -2.249 -4.206 -4.624
107 HE2 PHE 13 HE2 PHE 13 -3.056 -0.763 -7.061
108 HZ PHE 13 HZ PHE 13 -1.928 -2.947 -6.737
109 H SER 14 HN SER 14 -4.238 1.842 -2.546
110 HA SER 14 HA SER 14 -1.658 2.026 -3.766
111 HB2 SER 14 HB2 SER 14 -2.160 4.523 -3.552
112 HB3 SER 14 HB3 SER 14 -3.406 3.569 -4.351
113 HG SER 14 HG SER 14 -4.590 4.549 -2.873
114 H LEU 15 HN LEU 15 -2.798 2.672 -0.508
115 HA LEU 15 HA LEU 15 -0.447 3.945 0.547
116 HB2 LEU 15 HB2 LEU 15 -2.735 3.877 1.566
117 HB3 LEU 15 HB3 LEU 15 -2.507 2.161 1.895
118 HG LEU 15 HG LEU 15 -0.258 3.101 3.032
119 HD11 LEU 15 HD11 LEU 15 -2.291 5.343 3.204
120 HD12 LEU 15 HD12 LEU 15 -0.662 5.434 2.532
121 HD13 LEU 15 HD13 LEU 15 -0.890 5.204 4.266
122 HD21 LEU 15 HD21 LEU 15 -2.036 1.716 4.093
123 HD22 LEU 15 HD22 LEU 15 -2.996 3.174 4.343
124 HD23 LEU 15 HD23 LEU 15 -1.450 2.981 5.173
125 H LEU 16 HN LEU 16 -1.481 0.531 0.362
126 HA LEU 16 HA LEU 16 0.734 -0.620 1.765
127 HB2 LEU 16 HB2 LEU 16 -1.551 -1.598 1.043
128 HB3 LEU 16 HB3 LEU 16 -0.796 -1.869 -0.527
129 HG LEU 16 HG LEU 16 0.867 -2.802 1.700
130 HD11 LEU 16 HD11 LEU 16 -1.769 -4.214 1.202
131 HD12 LEU 16 HD12 LEU 16 -1.441 -3.213 2.616
132 HD13 LEU 16 HD13 LEU 16 -0.512 -4.687 2.344
133 HD21 LEU 16 HD21 LEU 16 -0.322 -4.367 -0.600
134 HD22 LEU 16 HD22 LEU 16 1.198 -4.661 0.244
135 HD23 LEU 16 HD23 LEU 16 1.038 -3.267 -0.824
136 H LEU 17 HN LEU 17 0.208 0.145 -1.637
137 HA LEU 17 HA LEU 17 2.606 -0.990 -2.707
138 HB2 LEU 17 HB2 LEU 17 0.393 0.100 -3.737
139 HB3 LEU 17 HB3 LEU 17 1.421 1.532 -3.801
140 HG LEU 17 HG LEU 17 3.144 -0.268 -4.825
141 HD11 LEU 17 HD11 LEU 17 1.634 -2.163 -4.707
142 HD12 LEU 17 HD12 LEU 17 1.827 -1.720 -6.404
143 HD13 LEU 17 HD13 LEU 17 0.365 -1.257 -5.532
144 HD21 LEU 17 HD21 LEU 17 2.435 1.856 -5.872
145 HD22 LEU 17 HD22 LEU 17 0.919 1.106 -6.370
146 HD23 LEU 17 HD23 LEU 17 2.447 0.546 -7.052
147 H LEU 18 HN LEU 18 1.880 2.108 -1.222
148 HA LEU 18 HA LEU 18 4.446 3.350 -1.765
149 HB2 LEU 18 HB2 LEU 18 2.117 4.366 -1.183
150 HB3 LEU 18 HB3 LEU 18 2.566 4.038 0.490
151 HG LEU 18 HG LEU 18 4.719 5.336 -1.013
152 HD11 LEU 18 HD11 LEU 18 3.652 7.535 -1.168
153 HD12 LEU 18 HD12 LEU 18 2.133 6.862 -0.576
154 HD13 LEU 18 HD13 LEU 18 2.762 6.370 -2.149
155 HD21 LEU 18 HD21 LEU 18 3.220 6.266 1.450
156 HD22 LEU 18 HD22 LEU 18 4.881 6.640 0.992
157 HD23 LEU 18 HD23 LEU 18 4.455 5.008 1.507
158 H ALA 19 HN ALA 19 3.073 1.486 0.900
159 HA ALA 19 HA ALA 19 5.142 1.873 2.840
160 HB1 ALA 19 HB1 ALA 19 4.099 0.022 3.928
161 HB2 ALA 19 HB2 ALA 19 3.560 -0.669 2.398
162 HB3 ALA 19 HB3 ALA 19 2.803 0.798 3.019
163 H ALA 20 HN ALA 20 4.780 -0.510 0.209
164 HA ALA 20 HA ALA 20 7.095 -2.099 0.790
165 HB1 ALA 20 HB1 ALA 20 5.329 -2.812 -0.728
166 HB2 ALA 20 HB2 ALA 20 6.829 -2.704 -1.648
167 HB3 ALA 20 HB3 ALA 20 5.621 -1.427 -1.779
168 H GLY 21 HN GLY 21 6.644 0.843 -1.184
169 HA2 GLY 21 HA2 GLY 21 9.321 0.955 -2.221
170 HA3 GLY 21 HA3 GLY 21 8.208 2.321 -2.121
171 H VAL 22 HN VAL 22 7.816 2.228 0.740
172 HA VAL 22 HA VAL 22 9.991 3.849 1.657
173 HB VAL 22 HB VAL 22 7.883 2.240 3.147
174 HG11 VAL 22 HG11 VAL 22 9.699 2.905 4.657
175 HG12 VAL 22 HG12 VAL 22 8.264 3.878 4.978
176 HG13 VAL 22 HG13 VAL 22 9.608 4.564 4.064
177 HG21 VAL 22 HG21 VAL 22 7.592 4.386 1.388
178 HG22 VAL 22 HG22 VAL 22 7.570 5.143 2.980
179 HG23 VAL 22 HG23 VAL 22 6.413 3.870 2.594
180 H GLY 23 HN GLY 23 9.252 0.384 2.176
181 HA2 GLY 23 HA2 GLY 23 11.446 -0.176 3.927
182 HA3 GLY 23 HA3 GLY 23 10.603 -1.374 2.944
183 H ILE 24 HN ILE 24 11.138 -0.310 0.373
184 HA ILE 24 HA ILE 24 13.789 -1.347 -0.130
185 HB ILE 24 HB ILE 24 11.815 0.292 -1.763
186 HG12 ILE 24 HG12 ILE 24 11.022 -1.944 -1.093
187 HG13 ILE 24 HG13 ILE 24 11.337 -1.895 -2.826
188 HG21 ILE 24 HG21 ILE 24 13.145 -0.592 -3.733
189 HG22 ILE 24 HG22 ILE 24 14.393 -1.070 -2.583
190 HG23 ILE 24 HG23 ILE 24 13.973 0.632 -2.771
191 HD11 ILE 24 HD11 ILE 24 12.965 -3.208 -0.654
192 HD12 ILE 24 HD12 ILE 24 13.706 -2.772 -2.193
193 HD13 ILE 24 HD13 ILE 24 12.359 -3.908 -2.154
194 H TYR 25 HN TYR 25 12.481 1.964 0.223
195 HA TYR 25 HA TYR 25 14.836 3.379 -0.611
196 HB2 TYR 25 HB2 TYR 25 12.390 4.152 -0.103
197 HB3 TYR 25 HB3 TYR 25 12.963 4.318 1.558
198 HD1 TYR 25 HD1 TYR 25 14.737 5.928 2.131
199 HD2 TYR 25 HD2 TYR 25 13.216 5.604 -1.873
200 HE1 TYR 25 HE1 TYR 25 15.795 8.094 1.552
201 HE2 TYR 25 HE2 TYR 25 14.271 7.771 -2.451
202 HH TYR 25 HH TYR 25 16.609 9.107 -1.036
203 H LEU 26 HN LEU 26 14.005 1.714 2.367
204 HA LEU 26 HA LEU 26 16.163 2.927 3.951
205 HB2 LEU 26 HB2 LEU 26 14.222 0.623 4.302
206 HB3 LEU 26 HB3 LEU 26 15.418 1.043 5.526
207 HG LEU 26 HG LEU 26 13.667 3.219 4.443
208 HD11 LEU 26 HD11 LEU 26 12.791 1.369 6.675
209 HD12 LEU 26 HD12 LEU 26 12.206 1.220 5.017
210 HD13 LEU 26 HD13 LEU 26 11.870 2.683 5.942
211 HD21 LEU 26 HD21 LEU 26 14.709 2.607 7.228
212 HD22 LEU 26 HD22 LEU 26 13.986 4.120 6.680
213 HD23 LEU 26 HD23 LEU 26 15.557 3.615 6.055
214 H LEU 27 HN LEU 27 15.779 0.268 1.729
215 HA LEU 27 HA LEU 27 18.583 -0.616 2.298
216 HB2 LEU 27 HB2 LEU 27 16.488 -1.985 3.184
217 HB3 LEU 27 HB3 LEU 27 16.417 -2.545 1.511
218 HG LEU 27 HG LEU 27 19.050 -2.877 1.942
219 HD11 LEU 27 HD11 LEU 27 18.938 -2.026 4.254
220 HD12 LEU 27 HD12 LEU 27 19.400 -3.727 4.237
221 HD13 LEU 27 HD13 LEU 27 17.751 -3.266 4.658
222 HD21 LEU 27 HD21 LEU 27 16.804 -4.744 2.762
223 HD22 LEU 27 HD22 LEU 27 18.483 -5.253 2.587
224 HD23 LEU 27 HD23 LEU 27 17.591 -4.656 1.187
225 HA PRO 28 HA PRO 28 17.619 -0.260 -2.275
226 HB2 PRO 28 HB2 PRO 28 18.255 2.339 -2.847
227 HB3 PRO 28 HB3 PRO 28 16.635 1.823 -2.343
228 HG2 PRO 28 HG2 PRO 28 18.602 3.387 -0.880
229 HG3 PRO 28 HG3 PRO 28 16.885 3.150 -0.553
230 HD2 PRO 28 HD2 PRO 28 19.159 1.853 0.690
231 HD3 PRO 28 HD3 PRO 28 17.449 1.773 1.136
232 H ASN 29 HN ASN 29 20.314 0.809 -0.320
233 HA ASN 29 HA ASN 29 22.282 1.073 -2.431
234 HB2 ASN 29 HB2 ASN 29 22.362 2.032 -0.100
235 HB3 ASN 29 HB3 ASN 29 22.636 0.400 0.509
236 HD21 ASN 29 HD21 ASN 29 24.027 2.718 -1.891
237 HD22 ASN 29 HD22 ASN 29 25.631 2.210 -1.662
238 H ARG 30 HN ARG 30 21.271 -1.612 -0.310
239 HA ARG 30 HA ARG 30 22.481 -3.542 -2.197
240 HB2 ARG 30 HB2 ARG 30 23.841 -4.571 -0.410
241 HB3 ARG 30 HB3 ARG 30 24.291 -2.882 -0.637
242 HG2 ARG 30 HG2 ARG 30 24.037 -2.748 1.621
243 HG3 ARG 30 HG3 ARG 30 22.316 -2.650 1.246
244 HD2 ARG 30 HD2 ARG 30 22.776 -5.383 1.202
245 HD3 ARG 30 HD3 ARG 30 23.809 -4.827 2.534
246 HE ARG 30 HE ARG 30 20.918 -4.055 2.337
247 HH11 ARG 30 HH21 ARG 30 22.676 -2.757 4.410
248 HH12 ARG 30 HH22 ARG 30 22.375 -3.740 5.803
249 HH21 ARG 30 HH11 ARG 30 20.969 -6.346 3.981
250 HH22 ARG 30 HH12 ARG 30 21.403 -5.781 5.559
Start of MODEL 14
1 HA HIS 1 HA HIS 1 -16.646 5.190 -5.827
2 HB2 HIS 1 HB2 HIS 1 -13.840 4.685 -4.798
3 HB3 HIS 1 HB3 HIS 1 -14.735 6.152 -4.402
4 HD1 HIS 1 HD1 HIS 1 -14.314 2.669 -3.384
5 HD2 HIS 1 HD2 HIS 1 -17.311 5.546 -3.031
6 HE1 HIS 1 HE1 HIS 1 -15.878 1.855 -1.566
7 H SER 2 HN SER 2 -16.464 7.313 -6.651
8 HA SER 2 HA SER 2 -14.402 7.703 -8.794
9 HB2 SER 2 HB2 SER 2 -16.175 9.412 -9.562
10 HB3 SER 2 HB3 SER 2 -16.609 7.712 -9.693
11 HG SER 2 HG SER 2 -17.565 9.694 -7.998
12 H VAL 3 HN VAL 3 -13.492 8.203 -6.234
13 HA VAL 3 HA VAL 3 -12.495 9.856 -4.887
14 HB VAL 3 HB VAL 3 -12.963 11.587 -7.339
15 HG11 VAL 3 HG11 VAL 3 -11.028 11.622 -5.024
16 HG12 VAL 3 HG12 VAL 3 -12.051 12.928 -5.622
17 HG13 VAL 3 HG13 VAL 3 -10.639 12.421 -6.547
18 HG21 VAL 3 HG21 VAL 3 -10.981 9.375 -6.796
19 HG22 VAL 3 HG22 VAL 3 -10.578 10.697 -7.892
20 HG23 VAL 3 HG23 VAL 3 -11.953 9.651 -8.242
21 H SER 4 HN SER 4 -15.013 9.558 -4.070
22 HA SER 4 HA SER 4 -16.750 11.849 -4.306
23 HB2 SER 4 HB2 SER 4 -17.566 9.648 -3.669
24 HB3 SER 4 HB3 SER 4 -16.490 9.611 -2.276
25 HG SER 4 HG SER 4 -18.823 11.121 -2.722
26 H HIS 5 HN HIS 5 -14.202 10.961 -2.049
27 HA HIS 5 HA HIS 5 -14.327 13.718 -0.883
28 HB2 HIS 5 HB2 HIS 5 -15.198 11.416 0.354
29 HB3 HIS 5 HB3 HIS 5 -13.535 11.527 0.929
30 HD1 HIS 5 HD1 HIS 5 -12.913 14.151 1.750
31 HD2 HIS 5 HD2 HIS 5 -16.901 12.943 1.886
32 HE1 HIS 5 HE1 HIS 5 -14.091 15.741 3.331
33 H ALA 6 HN ALA 6 -12.515 12.308 -2.910
34 HA ALA 6 HA ALA 6 -10.209 12.069 -3.365
35 HB1 ALA 6 HB1 ALA 6 -10.142 14.279 -1.284
36 HB2 ALA 6 HB2 ALA 6 -10.585 14.512 -2.975
37 HB3 ALA 6 HB3 ALA 6 -8.950 14.002 -2.554
38 H ARG 7 HN ARG 7 -10.964 10.075 -1.586
39 HA ARG 7 HA ARG 7 -8.697 10.030 0.382
40 HB2 ARG 7 HB2 ARG 7 -10.291 8.498 1.682
41 HB3 ARG 7 HB3 ARG 7 -10.740 10.199 1.601
42 HG2 ARG 7 HG2 ARG 7 -12.553 9.798 0.244
43 HG3 ARG 7 HG3 ARG 7 -11.781 8.437 -0.568
44 HD2 ARG 7 HD2 ARG 7 -12.440 6.914 1.056
45 HD3 ARG 7 HD3 ARG 7 -12.467 8.141 2.339
46 HE ARG 7 HE ARG 7 -14.462 8.341 0.132
47 HH11 ARG 7 HH21 ARG 7 -15.303 6.205 1.971
48 HH12 ARG 7 HH22 ARG 7 -16.193 7.058 3.188
49 HH21 ARG 7 HH11 ARG 7 -14.882 10.163 2.339
50 HH22 ARG 7 HH12 ARG 7 -15.955 9.309 3.394
51 HA PRO 8 HA PRO 8 -7.727 6.493 -2.225
52 HB2 PRO 8 HB2 PRO 8 -5.133 6.260 -1.393
53 HB3 PRO 8 HB3 PRO 8 -5.658 7.457 -2.592
54 HG2 PRO 8 HG2 PRO 8 -4.984 7.816 0.264
55 HG3 PRO 8 HG3 PRO 8 -4.791 8.932 -1.094
56 HD2 PRO 8 HD2 PRO 8 -6.810 9.033 0.819
57 HD3 PRO 8 HD3 PRO 8 -6.828 9.856 -0.755
58 H ARG 9 HN ARG 9 -8.632 4.615 -1.427
59 HA ARG 9 HA ARG 9 -7.424 3.396 1.031
60 HB2 ARG 9 HB2 ARG 9 -9.500 4.708 1.564
61 HB3 ARG 9 HB3 ARG 9 -10.402 3.679 0.454
62 HG2 ARG 9 HG2 ARG 9 -9.237 1.765 1.949
63 HG3 ARG 9 HG3 ARG 9 -9.298 3.056 3.148
64 HD2 ARG 9 HD2 ARG 9 -11.572 2.935 3.335
65 HD3 ARG 9 HD3 ARG 9 -11.794 2.712 1.587
66 HE ARG 9 HE ARG 9 -10.615 0.452 3.115
67 HH11 ARG 9 HH11 ARG 9 -11.779 0.345 0.289
68 HH12 ARG 9 HH12 ARG 9 -13.286 -0.455 0.579
69 HH21 ARG 9 HH21 ARG 9 -13.213 0.096 4.012
70 HH22 ARG 9 HH22 ARG 9 -14.103 -0.593 2.696
71 H TRP 10 HN TRP 10 -10.346 1.996 -0.332
72 HA TRP 10 HA TRP 10 -10.636 -0.099 -1.418
73 HB2 TRP 10 HB2 TRP 10 -9.084 1.633 -2.981
74 HB3 TRP 10 HB3 TRP 10 -8.177 0.120 -2.995
75 HD1 TRP 10 HD1 TRP 10 -10.852 1.787 -4.780
76 HE1 TRP 10 HE1 TRP 10 -12.280 0.117 -6.127
77 HE3 TRP 10 HE3 TRP 10 -9.302 -2.599 -2.673
78 HZ2 TRP 10 HZ2 TRP 10 -12.708 -2.708 -6.289
79 HZ3 TRP 10 HZ3 TRP 10 -10.235 -4.762 -3.441
80 HH2 TRP 10 HH2 TRP 10 -11.935 -4.822 -5.244
81 H PHE 11 HN PHE 11 -9.754 -0.586 0.983
82 HA PHE 11 HA PHE 11 -8.491 -2.056 2.337
83 HB2 PHE 11 HB2 PHE 11 -8.792 -3.251 -0.176
84 HB3 PHE 11 HB3 PHE 11 -7.054 -3.328 0.110
85 HD1 PHE 11 HD1 PHE 11 -6.238 -4.275 2.353
86 HD2 PHE 11 HD2 PHE 11 -10.266 -4.729 0.930
87 HE1 PHE 11 HE1 PHE 11 -6.581 -6.161 3.926
88 HE2 PHE 11 HE2 PHE 11 -10.609 -6.614 2.504
89 HZ PHE 11 HZ PHE 11 -8.767 -7.331 4.002
90 H TRP 12 HN TRP 12 -7.546 0.568 1.192
91 HA TRP 12 HA TRP 12 -5.622 1.887 0.975
92 HB2 TRP 12 HB2 TRP 12 -5.193 -0.025 3.245
93 HB3 TRP 12 HB3 TRP 12 -3.963 1.173 2.850
94 HD1 TRP 12 HD1 TRP 12 -4.833 3.787 2.797
95 HE1 TRP 12 HE1 TRP 12 -6.601 4.944 4.272
96 HE3 TRP 12 HE3 TRP 12 -7.323 -0.307 4.562
97 HZ2 TRP 12 HZ2 TRP 12 -8.785 4.228 5.975
98 HZ3 TRP 12 HZ3 TRP 12 -9.245 -0.041 6.103
99 HH2 TRP 12 HH2 TRP 12 -9.978 2.219 6.811
100 H PHE 13 HN PHE 13 -5.745 -0.070 -0.989
101 HA PHE 13 HA PHE 13 -3.378 -1.679 -1.261
102 HB2 PHE 13 HB2 PHE 13 -5.336 -2.170 -2.560
103 HB3 PHE 13 HB3 PHE 13 -5.446 -0.509 -3.140
104 HD1 PHE 13 HD2 PHE 13 -3.043 -3.399 -3.130
105 HD2 PHE 13 HD1 PHE 13 -4.597 -0.004 -5.253
106 HE1 PHE 13 HE2 PHE 13 -1.637 -3.981 -5.088
107 HE2 PHE 13 HE1 PHE 13 -3.191 -0.585 -7.211
108 HZ PHE 13 HZ PHE 13 -1.712 -2.573 -7.129
109 H SER 14 HN SER 14 -4.280 1.510 -2.516
110 HA SER 14 HA SER 14 -1.804 2.118 -3.830
111 HB2 SER 14 HB2 SER 14 -4.093 3.243 -4.033
112 HB3 SER 14 HB3 SER 14 -3.734 4.045 -2.506
113 HG SER 14 HG SER 14 -2.494 4.310 -5.023
114 H LEU 15 HN LEU 15 -2.979 2.559 -0.553
115 HA LEU 15 HA LEU 15 -0.773 4.115 0.476
116 HB2 LEU 15 HB2 LEU 15 -3.113 3.801 1.428
117 HB3 LEU 15 HB3 LEU 15 -2.622 2.180 1.916
118 HG LEU 15 HG LEU 15 -0.671 4.186 2.740
119 HD11 LEU 15 HD11 LEU 15 -3.113 5.299 2.790
120 HD12 LEU 15 HD12 LEU 15 -1.933 5.585 4.068
121 HD13 LEU 15 HD13 LEU 15 -3.208 4.391 4.299
122 HD21 LEU 15 HD21 LEU 15 -2.395 2.380 4.450
123 HD22 LEU 15 HD22 LEU 15 -0.765 2.962 4.785
124 HD23 LEU 15 HD23 LEU 15 -1.029 1.763 3.520
125 H LEU 16 HN LEU 16 -1.524 0.617 0.455
126 HA LEU 16 HA LEU 16 0.777 -0.274 1.901
127 HB2 LEU 16 HB2 LEU 16 -1.495 -1.387 0.983
128 HB3 LEU 16 HB3 LEU 16 -0.401 -1.924 -0.291
129 HG LEU 16 HG LEU 16 0.378 -2.259 2.597
130 HD11 LEU 16 HD11 LEU 16 -0.733 -4.384 2.713
131 HD12 LEU 16 HD12 LEU 16 -1.207 -4.299 1.016
132 HD13 LEU 16 HD13 LEU 16 -1.946 -3.213 2.194
133 HD21 LEU 16 HD21 LEU 16 1.132 -3.379 -0.079
134 HD22 LEU 16 HD22 LEU 16 1.327 -4.406 1.341
135 HD23 LEU 16 HD23 LEU 16 2.170 -2.860 1.250
136 H LEU 17 HN LEU 17 0.228 0.327 -1.530
137 HA LEU 17 HA LEU 17 2.692 -0.705 -2.552
138 HB2 LEU 17 HB2 LEU 17 0.509 0.116 -3.714
139 HB3 LEU 17 HB3 LEU 17 1.243 1.716 -3.623
140 HG LEU 17 HG LEU 17 3.028 -0.403 -4.654
141 HD11 LEU 17 HD11 LEU 17 0.789 -1.012 -5.634
142 HD12 LEU 17 HD12 LEU 17 1.990 -0.540 -6.836
143 HD13 LEU 17 HD13 LEU 17 0.727 0.595 -6.358
144 HD21 LEU 17 HD21 LEU 17 3.829 1.357 -5.999
145 HD22 LEU 17 HD22 LEU 17 3.321 2.189 -4.530
146 HD23 LEU 17 HD23 LEU 17 2.288 2.214 -5.959
147 H LEU 18 HN LEU 18 1.796 2.389 -1.158
148 HA LEU 18 HA LEU 18 4.262 3.787 -1.703
149 HB2 LEU 18 HB2 LEU 18 1.909 4.663 -1.085
150 HB3 LEU 18 HB3 LEU 18 2.344 4.282 0.581
151 HG LEU 18 HG LEU 18 4.467 5.751 -0.775
152 HD11 LEU 18 HD11 LEU 18 1.731 7.042 -0.540
153 HD12 LEU 18 HD12 LEU 18 2.634 6.767 -2.030
154 HD13 LEU 18 HD13 LEU 18 3.232 7.919 -0.836
155 HD21 LEU 18 HD21 LEU 18 4.422 7.031 1.262
156 HD22 LEU 18 HD22 LEU 18 4.104 5.355 1.710
157 HD23 LEU 18 HD23 LEU 18 2.775 6.510 1.622
158 H ALA 19 HN ALA 19 3.066 1.836 0.983
159 HA ALA 19 HA ALA 19 5.243 2.332 2.811
160 HB1 ALA 19 HB1 ALA 19 2.984 1.405 3.365
161 HB2 ALA 19 HB2 ALA 19 4.293 0.391 3.974
162 HB3 ALA 19 HB3 ALA 19 3.417 -0.079 2.517
163 H ALA 20 HN ALA 20 4.682 -0.120 0.285
164 HA ALA 20 HA ALA 20 6.955 -1.782 0.827
165 HB1 ALA 20 HB1 ALA 20 5.200 -1.170 -1.547
166 HB2 ALA 20 HB2 ALA 20 5.288 -2.651 -0.594
167 HB3 ALA 20 HB3 ALA 20 6.580 -2.253 -1.725
168 H GLY 21 HN GLY 21 6.539 1.053 -1.320
169 HA2 GLY 21 HA2 GLY 21 9.158 1.043 -2.454
170 HA3 GLY 21 HA3 GLY 21 8.129 2.469 -2.310
171 H VAL 22 HN VAL 22 7.880 2.486 0.539
172 HA VAL 22 HA VAL 22 10.251 3.920 1.308
173 HB VAL 22 HB VAL 22 7.999 2.654 2.914
174 HG11 VAL 22 HG11 VAL 22 8.729 4.653 4.481
175 HG12 VAL 22 HG12 VAL 22 10.281 4.453 3.668
176 HG13 VAL 22 HG13 VAL 22 9.575 3.108 4.565
177 HG21 VAL 22 HG21 VAL 22 8.078 5.570 2.598
178 HG22 VAL 22 HG22 VAL 22 6.738 4.453 2.347
179 HG23 VAL 22 HG23 VAL 22 7.913 4.722 1.061
180 H GLY 23 HN GLY 23 9.185 0.559 1.846
181 HA2 GLY 23 HA2 GLY 23 11.202 -0.221 3.701
182 HA3 GLY 23 HA3 GLY 23 10.366 -1.322 2.607
183 H ILE 24 HN ILE 24 11.153 -0.380 0.126
184 HA ILE 24 HA ILE 24 13.823 -1.459 -0.135
185 HB ILE 24 HB ILE 24 11.801 -0.067 -1.892
186 HG12 ILE 24 HG12 ILE 24 12.669 -2.431 -3.064
187 HG13 ILE 24 HG13 ILE 24 12.751 -2.787 -1.339
188 HG21 ILE 24 HG21 ILE 24 13.411 -0.523 -3.819
189 HG22 ILE 24 HG22 ILE 24 14.676 -0.702 -2.603
190 HG23 ILE 24 HG23 ILE 24 13.834 0.838 -2.781
191 HD11 ILE 24 HD11 ILE 24 10.318 -1.414 -2.435
192 HD12 ILE 24 HD12 ILE 24 10.465 -2.464 -1.026
193 HD13 ILE 24 HD13 ILE 24 10.495 -3.156 -2.647
194 H TYR 25 HN TYR 25 12.530 1.865 0.087
195 HA TYR 25 HA TYR 25 14.941 3.244 -0.654
196 HB2 TYR 25 HB2 TYR 25 12.504 4.081 -0.298
197 HB3 TYR 25 HB3 TYR 25 12.956 4.215 1.403
198 HD1 TYR 25 HD1 TYR 25 14.706 5.785 2.130
199 HD2 TYR 25 HD2 TYR 25 13.507 5.525 -1.986
200 HE1 TYR 25 HE1 TYR 25 15.853 7.931 1.660
201 HE2 TYR 25 HE2 TYR 25 14.652 7.672 -2.455
202 HH TYR 25 HH TYR 25 16.881 8.940 -0.905
203 H LEU 26 HN LEU 26 13.934 1.621 2.293
204 HA LEU 26 HA LEU 26 16.010 2.810 3.989
205 HB2 LEU 26 HB2 LEU 26 14.092 0.467 4.206
206 HB3 LEU 26 HB3 LEU 26 15.214 0.894 5.496
207 HG LEU 26 HG LEU 26 13.465 3.040 4.347
208 HD11 LEU 26 HD11 LEU 26 12.556 1.130 6.515
209 HD12 LEU 26 HD12 LEU 26 12.015 1.031 4.840
210 HD13 LEU 26 HD13 LEU 26 11.635 2.457 5.806
211 HD21 LEU 26 HD21 LEU 26 14.379 2.453 7.180
212 HD22 LEU 26 HD22 LEU 26 13.688 3.959 6.575
213 HD23 LEU 26 HD23 LEU 26 15.291 3.451 6.047
214 H LEU 27 HN LEU 27 15.707 0.123 1.766
215 HA LEU 27 HA LEU 27 18.528 -0.686 2.366
216 HB2 LEU 27 HB2 LEU 27 16.534 -2.136 3.263
217 HB3 LEU 27 HB3 LEU 27 16.368 -2.637 1.578
218 HG LEU 27 HG LEU 27 19.144 -2.750 2.234
219 HD11 LEU 27 HD11 LEU 27 19.206 -4.246 4.116
220 HD12 LEU 27 HD12 LEU 27 17.445 -4.342 4.170
221 HD13 LEU 27 HD13 LEU 27 18.261 -2.840 4.607
222 HD21 LEU 27 HD21 LEU 27 18.706 -5.231 1.855
223 HD22 LEU 27 HD22 LEU 27 18.163 -4.163 0.560
224 HD23 LEU 27 HD23 LEU 27 16.996 -4.820 1.708
225 HA PRO 28 HA PRO 28 17.651 -0.294 -2.201
226 HB2 PRO 28 HB2 PRO 28 18.482 2.267 -2.719
227 HB3 PRO 28 HB3 PRO 28 16.819 1.849 -2.272
228 HG2 PRO 28 HG2 PRO 28 18.828 3.269 -0.726
229 HG3 PRO 28 HG3 PRO 28 17.094 3.122 -0.448
230 HD2 PRO 28 HD2 PRO 28 19.256 1.678 0.830
231 HD3 PRO 28 HD3 PRO 28 17.533 1.687 1.231
232 H ASN 29 HN ASN 29 20.391 0.625 -0.208
233 HA ASN 29 HA ASN 29 22.346 0.435 -2.411
234 HB2 ASN 29 HB2 ASN 29 22.316 1.065 0.519
235 HB3 ASN 29 HB3 ASN 29 23.844 0.561 -0.203
236 HD21 ASN 29 HD21 ASN 29 24.968 2.097 -1.485
237 HD22 ASN 29 HD22 ASN 29 24.357 3.635 -1.860
238 H ARG 30 HN ARG 30 21.179 -1.549 0.294
239 HA ARG 30 HA ARG 30 21.493 -3.826 0.797
240 HB2 ARG 30 HB2 ARG 30 21.328 -3.496 -1.983
241 HB3 ARG 30 HB3 ARG 30 22.721 -4.552 -1.750
242 HG2 ARG 30 HG2 ARG 30 20.619 -5.384 0.026
243 HG3 ARG 30 HG3 ARG 30 19.968 -5.248 -1.607
244 HD2 ARG 30 HD2 ARG 30 20.829 -7.461 -1.534
245 HD3 ARG 30 HD3 ARG 30 22.130 -6.545 -2.320
246 HE ARG 30 HE ARG 30 23.082 -6.288 0.066
247 HH11 ARG 30 HH21 ARG 30 20.810 -7.846 1.333
248 HH12 ARG 30 HH22 ARG 30 21.523 -9.414 1.517
249 HH21 ARG 30 HH11 ARG 30 24.136 -8.763 -0.683
250 HH22 ARG 30 HH12 ARG 30 23.417 -9.935 0.369
Start of MODEL 15
1 HA HIS 1 HA HIS 1 -12.636 10.939 5.620
2 HB2 HIS 1 HB2 HIS 1 -11.702 9.310 3.950
3 HB3 HIS 1 HB3 HIS 1 -11.335 8.215 5.282
4 HD1 HIS 1 HD1 HIS 1 -13.089 6.478 5.526
5 HD2 HIS 1 HD2 HIS 1 -14.715 10.101 4.258
6 HE1 HIS 1 HE1 HIS 1 -15.585 6.107 5.309
7 H SER 2 HN SER 2 -14.057 10.269 7.282
8 HA SER 2 HA SER 2 -12.739 9.353 9.809
9 HB2 SER 2 HB2 SER 2 -14.933 10.301 10.753
10 HB3 SER 2 HB3 SER 2 -13.845 11.466 10.005
11 HG SER 2 HG SER 2 -15.461 11.909 8.742
12 H VAL 3 HN VAL 3 -13.347 7.403 7.778
13 HA VAL 3 HA VAL 3 -14.670 5.485 7.303
14 HB VAL 3 HB VAL 3 -14.600 4.011 9.293
15 HG11 VAL 3 HG11 VAL 3 -12.123 5.743 9.104
16 HG12 VAL 3 HG12 VAL 3 -12.562 4.525 7.907
17 HG13 VAL 3 HG13 VAL 3 -12.201 4.041 9.564
18 HG21 VAL 3 HG21 VAL 3 -13.929 4.814 11.451
19 HG22 VAL 3 HG22 VAL 3 -15.240 5.868 10.921
20 HG23 VAL 3 HG23 VAL 3 -13.567 6.418 10.814
21 H SER 4 HN SER 4 -16.464 7.601 7.388
22 HA SER 4 HA SER 4 -18.695 6.782 9.168
23 HB2 SER 4 HB2 SER 4 -17.683 9.204 8.396
24 HB3 SER 4 HB3 SER 4 -19.015 9.016 7.259
25 HG SER 4 HG SER 4 -19.026 9.353 10.011
26 H HIS 5 HN HIS 5 -17.686 6.560 5.860
27 HA HIS 5 HA HIS 5 -20.383 5.488 5.098
28 HB2 HIS 5 HB2 HIS 5 -18.564 7.456 3.931
29 HB3 HIS 5 HB3 HIS 5 -19.003 6.200 2.775
30 HD1 HIS 5 HD1 HIS 5 -21.519 5.974 2.143
31 HD2 HIS 5 HD2 HIS 5 -20.715 9.120 4.756
32 HE1 HIS 5 HE1 HIS 5 -23.607 7.407 2.203
33 H ALA 6 HN ALA 6 -17.996 4.020 6.259
34 HA ALA 6 HA ALA 6 -16.943 1.947 5.923
35 HB1 ALA 6 HB1 ALA 6 -19.359 1.644 4.948
36 HB2 ALA 6 HB2 ALA 6 -18.129 0.439 4.566
37 HB3 ALA 6 HB3 ALA 6 -18.544 1.680 3.384
38 H ARG 7 HN ARG 7 -14.935 3.049 5.470
39 HA ARG 7 HA ARG 7 -14.055 4.119 3.017
40 HB2 ARG 7 HB2 ARG 7 -11.853 3.831 3.951
41 HB3 ARG 7 HB3 ARG 7 -12.942 4.104 5.308
42 HG2 ARG 7 HG2 ARG 7 -13.059 1.369 5.045
43 HG3 ARG 7 HG3 ARG 7 -11.385 1.700 4.604
44 HD2 ARG 7 HD2 ARG 7 -11.213 3.100 6.725
45 HD3 ARG 7 HD3 ARG 7 -12.793 2.436 7.187
46 HE ARG 7 HE ARG 7 -10.274 0.950 7.124
47 HH11 ARG 7 HH21 ARG 7 -12.816 0.689 8.918
48 HH12 ARG 7 HH22 ARG 7 -13.321 -0.910 8.488
49 HH21 ARG 7 HH11 ARG 7 -11.296 -1.079 5.672
50 HH22 ARG 7 HH12 ARG 7 -12.459 -1.913 6.646
51 HA PRO 8 HA PRO 8 -13.854 0.573 0.382
52 HB2 PRO 8 HB2 PRO 8 -12.208 1.581 -1.555
53 HB3 PRO 8 HB3 PRO 8 -13.909 2.056 -1.388
54 HG2 PRO 8 HG2 PRO 8 -11.452 3.499 -0.555
55 HG3 PRO 8 HG3 PRO 8 -12.972 4.134 -1.202
56 HD2 PRO 8 HD2 PRO 8 -12.277 4.186 1.454
57 HD3 PRO 8 HD3 PRO 8 -13.948 4.233 0.852
58 H ARG 9 HN ARG 9 -12.117 -0.838 -0.678
59 HA ARG 9 HA ARG 9 -9.726 -1.023 1.124
60 HB2 ARG 9 HB2 ARG 9 -11.376 -3.004 -0.462
61 HB3 ARG 9 HB3 ARG 9 -9.805 -3.438 0.213
62 HG2 ARG 9 HG2 ARG 9 -10.561 -3.372 2.385
63 HG3 ARG 9 HG3 ARG 9 -11.737 -2.101 2.048
64 HD2 ARG 9 HD2 ARG 9 -13.312 -3.742 2.060
65 HD3 ARG 9 HD3 ARG 9 -12.621 -4.280 0.516
66 HE ARG 9 HE ARG 9 -11.158 -5.815 1.780
67 HH11 ARG 9 HH11 ARG 9 -11.141 -4.474 4.434
68 HH12 ARG 9 HH12 ARG 9 -12.225 -5.453 5.364
69 HH21 ARG 9 HH21 ARG 9 -13.653 -6.972 2.583
70 HH22 ARG 9 HH22 ARG 9 -13.652 -6.874 4.312
71 H TRP 10 HN TRP 10 -10.764 -1.141 -2.287
72 HA TRP 10 HA TRP 10 -8.227 -1.726 -3.465
73 HB2 TRP 10 HB2 TRP 10 -9.302 -1.029 -5.502
74 HB3 TRP 10 HB3 TRP 10 -10.559 -1.749 -4.501
75 HD1 TRP 10 HD1 TRP 10 -12.427 -0.165 -3.525
76 HE1 TRP 10 HE1 TRP 10 -13.121 2.258 -4.060
77 HE3 TRP 10 HE3 TRP 10 -8.371 1.340 -6.244
78 HZ2 TRP 10 HZ2 TRP 10 -12.098 4.533 -5.459
79 HZ3 TRP 10 HZ3 TRP 10 -8.259 3.637 -7.166
80 HH2 TRP 10 HH2 TRP 10 -10.115 5.234 -6.777
81 H PHE 11 HN PHE 11 -9.633 1.319 -2.320
82 HA PHE 11 HA PHE 11 -7.689 3.082 -3.537
83 HB2 PHE 11 HB2 PHE 11 -9.706 4.078 -2.860
84 HB3 PHE 11 HB3 PHE 11 -9.740 3.197 -1.333
85 HD1 PHE 11 HD2 PHE 11 -7.770 5.800 -3.177
86 HD2 PHE 11 HD1 PHE 11 -8.977 4.225 0.634
87 HE1 PHE 11 HE2 PHE 11 -6.678 7.714 -2.039
88 HE2 PHE 11 HE1 PHE 11 -7.884 6.138 1.770
89 HZ PHE 11 HZ PHE 11 -6.734 7.881 0.435
90 H TRP 12 HN TRP 12 -7.950 1.542 -0.318
91 HA TRP 12 HA TRP 12 -5.577 2.739 0.782
92 HB2 TRP 12 HB2 TRP 12 -7.366 0.408 1.405
93 HB3 TRP 12 HB3 TRP 12 -5.875 0.619 2.320
94 HD1 TRP 12 HD1 TRP 12 -9.193 1.218 2.992
95 HE1 TRP 12 HE1 TRP 12 -9.653 3.390 4.296
96 HE3 TRP 12 HE3 TRP 12 -4.799 3.701 2.171
97 HZ2 TRP 12 HZ2 TRP 12 -8.340 5.851 4.914
98 HZ3 TRP 12 HZ3 TRP 12 -4.437 5.957 3.131
99 HH2 TRP 12 HH2 TRP 12 -6.200 7.033 4.500
100 H PHE 13 HN PHE 13 -5.975 0.267 -1.557
101 HA PHE 13 HA PHE 13 -3.682 -1.366 -1.022
102 HB2 PHE 13 HB2 PHE 13 -5.683 -1.685 -2.640
103 HB3 PHE 13 HB3 PHE 13 -4.761 -0.678 -3.757
104 HD1 PHE 13 HD1 PHE 13 -2.599 -1.437 -4.659
105 HD2 PHE 13 HD2 PHE 13 -4.939 -3.928 -2.057
106 HE1 PHE 13 HE1 PHE 13 -1.228 -3.400 -5.305
107 HE2 PHE 13 HE2 PHE 13 -3.568 -5.891 -2.703
108 HZ PHE 13 HZ PHE 13 -1.713 -5.627 -4.328
109 H SER 14 HN SER 14 -4.126 1.691 -2.702
110 HA SER 14 HA SER 14 -1.528 1.918 -3.900
111 HB2 SER 14 HB2 SER 14 -3.687 3.277 -4.277
112 HB3 SER 14 HB3 SER 14 -3.242 4.172 -2.827
113 HG SER 14 HG SER 14 -1.296 4.737 -3.854
114 H LEU 15 HN LEU 15 -2.812 2.736 -0.730
115 HA LEU 15 HA LEU 15 -0.507 4.116 0.311
116 HB2 LEU 15 HB2 LEU 15 -2.822 4.190 1.235
117 HB3 LEU 15 HB3 LEU 15 -2.679 2.493 1.689
118 HG LEU 15 HG LEU 15 -0.396 3.924 2.699
119 HD11 LEU 15 HD11 LEU 15 -1.279 5.689 3.892
120 HD12 LEU 15 HD12 LEU 15 -2.882 4.962 3.987
121 HD13 LEU 15 HD13 LEU 15 -2.352 5.737 2.494
122 HD21 LEU 15 HD21 LEU 15 -1.275 3.038 4.850
123 HD22 LEU 15 HD22 LEU 15 -1.272 1.807 3.587
124 HD23 LEU 15 HD23 LEU 15 -2.780 2.603 4.039
125 H LEU 16 HN LEU 16 -1.574 0.706 0.431
126 HA LEU 16 HA LEU 16 0.552 -0.320 2.043
127 HB2 LEU 16 HB2 LEU 16 -1.674 -1.373 1.346
128 HB3 LEU 16 HB3 LEU 16 -0.913 -1.729 -0.203
129 HG LEU 16 HG LEU 16 0.754 -2.546 2.057
130 HD11 LEU 16 HD11 LEU 16 -0.652 -4.405 2.797
131 HD12 LEU 16 HD12 LEU 16 -1.938 -3.901 1.700
132 HD13 LEU 16 HD13 LEU 16 -1.501 -2.884 3.074
133 HD21 LEU 16 HD21 LEU 16 -0.498 -4.198 -0.155
134 HD22 LEU 16 HD22 LEU 16 0.991 -4.535 0.730
135 HD23 LEU 16 HD23 LEU 16 0.925 -3.187 -0.405
136 H LEU 17 HN LEU 17 0.243 0.116 -1.447
137 HA LEU 17 HA LEU 17 2.673 -1.149 -2.256
138 HB2 LEU 17 HB2 LEU 17 0.620 -0.247 -3.587
139 HB3 LEU 17 HB3 LEU 17 1.479 1.294 -3.563
140 HG LEU 17 HG LEU 17 3.147 -1.013 -4.338
141 HD11 LEU 17 HD11 LEU 17 0.896 -1.535 -5.375
142 HD12 LEU 17 HD12 LEU 17 2.204 -1.302 -6.535
143 HD13 LEU 17 HD13 LEU 17 1.030 -0.015 -6.261
144 HD21 LEU 17 HD21 LEU 17 3.557 1.586 -4.411
145 HD22 LEU 17 HD22 LEU 17 2.664 1.494 -5.929
146 HD23 LEU 17 HD23 LEU 17 4.157 0.576 -5.727
147 H LEU 18 HN LEU 18 1.950 2.087 -1.097
148 HA LEU 18 HA LEU 18 4.553 3.244 -1.592
149 HB2 LEU 18 HB2 LEU 18 2.226 4.327 -1.158
150 HB3 LEU 18 HB3 LEU 18 2.601 4.088 0.549
151 HG LEU 18 HG LEU 18 4.793 5.296 -1.016
152 HD11 LEU 18 HD11 LEU 18 2.951 6.417 -2.138
153 HD12 LEU 18 HD12 LEU 18 3.687 7.548 -1.003
154 HD13 LEU 18 HD13 LEU 18 2.166 6.755 -0.595
155 HD21 LEU 18 HD21 LEU 18 4.603 4.984 1.516
156 HD22 LEU 18 HD22 LEU 18 3.397 6.270 1.489
157 HD23 LEU 18 HD23 LEU 18 5.051 6.602 0.974
158 H ALA 19 HN ALA 19 3.067 1.544 1.114
159 HA ALA 19 HA ALA 19 5.087 2.016 3.097
160 HB1 ALA 19 HB1 ALA 19 2.694 0.992 3.223
161 HB2 ALA 19 HB2 ALA 19 3.933 0.324 4.286
162 HB3 ALA 19 HB3 ALA 19 3.486 -0.529 2.810
163 H ALA 20 HN ALA 20 4.721 -0.516 0.608
164 HA ALA 20 HA ALA 20 7.012 -2.093 1.360
165 HB1 ALA 20 HB1 ALA 20 5.276 -2.976 -0.071
166 HB2 ALA 20 HB2 ALA 20 6.742 -2.884 -1.048
167 HB3 ALA 20 HB3 ALA 20 5.484 -1.660 -1.226
168 H GLY 21 HN GLY 21 6.569 0.671 -0.849
169 HA2 GLY 21 HA2 GLY 21 9.202 0.687 -1.969
170 HA3 GLY 21 HA3 GLY 21 8.131 2.086 -1.880
171 H VAL 22 HN VAL 22 7.862 2.081 1.012
172 HA VAL 22 HA VAL 22 10.118 3.686 1.766
173 HB VAL 22 HB VAL 22 8.028 2.202 3.407
174 HG11 VAL 22 HG11 VAL 22 9.604 2.801 5.017
175 HG12 VAL 22 HG12 VAL 22 8.595 4.247 4.975
176 HG13 VAL 22 HG13 VAL 22 10.135 4.222 4.117
177 HG21 VAL 22 HG21 VAL 22 7.775 5.098 3.155
178 HG22 VAL 22 HG22 VAL 22 6.583 3.842 2.826
179 HG23 VAL 22 HG23 VAL 22 7.742 4.305 1.580
180 H GLY 23 HN GLY 23 9.303 0.262 2.415
181 HA2 GLY 23 HA2 GLY 23 11.526 -0.323 4.114
182 HA3 GLY 23 HA3 GLY 23 10.647 -1.517 3.156
183 H ILE 24 HN ILE 24 11.141 -0.480 0.571
184 HA ILE 24 HA ILE 24 13.794 -1.525 0.037
185 HB ILE 24 HB ILE 24 11.833 0.094 -1.643
186 HG12 ILE 24 HG12 ILE 24 12.273 -2.857 -1.934
187 HG13 ILE 24 HG13 ILE 24 11.292 -2.295 -0.580
188 HG21 ILE 24 HG21 ILE 24 14.272 -1.542 -2.400
189 HG22 ILE 24 HG22 ILE 24 14.019 0.181 -2.675
190 HG23 ILE 24 HG23 ILE 24 13.057 -1.003 -3.560
191 HD11 ILE 24 HD11 ILE 24 10.826 -1.618 -3.500
192 HD12 ILE 24 HD12 ILE 24 9.853 -1.038 -2.147
193 HD13 ILE 24 HD13 ILE 24 9.878 -2.756 -2.542
194 H TYR 25 HN TYR 25 12.457 1.746 0.474
195 HA TYR 25 HA TYR 25 14.711 3.230 -0.513
196 HB2 TYR 25 HB2 TYR 25 12.307 3.963 0.150
197 HB3 TYR 25 HB3 TYR 25 12.945 4.062 1.792
198 HD1 TYR 25 HD1 TYR 25 13.121 5.465 -1.613
199 HD2 TYR 25 HD2 TYR 25 14.634 5.718 2.400
200 HE1 TYR 25 HE1 TYR 25 14.121 7.674 -2.128
201 HE2 TYR 25 HE2 TYR 25 15.632 7.926 1.884
202 HH TYR 25 HH TYR 25 14.846 9.849 -0.239
203 H LEU 26 HN LEU 26 14.130 1.481 2.470
204 HA LEU 26 HA LEU 26 16.332 2.708 3.966
205 HB2 LEU 26 HB2 LEU 26 14.229 0.657 4.302
206 HB3 LEU 26 HB3 LEU 26 15.725 0.298 5.162
207 HG LEU 26 HG LEU 26 15.559 2.824 5.904
208 HD11 LEU 26 HD11 LEU 26 13.231 3.571 6.154
209 HD12 LEU 26 HD12 LEU 26 12.664 2.114 5.336
210 HD13 LEU 26 HD13 LEU 26 13.608 3.311 4.450
211 HD21 LEU 26 HD21 LEU 26 13.845 0.575 7.001
212 HD22 LEU 26 HD22 LEU 26 14.160 2.080 7.864
213 HD23 LEU 26 HD23 LEU 26 15.490 0.985 7.484
214 H LEU 27 HN LEU 27 15.910 0.113 1.663
215 HA LEU 27 HA LEU 27 18.809 -0.597 1.930
216 HB2 LEU 27 HB2 LEU 27 17.010 -2.175 2.976
217 HB3 LEU 27 HB3 LEU 27 16.634 -2.594 1.303
218 HG LEU 27 HG LEU 27 19.288 -2.860 1.159
219 HD11 LEU 27 HD11 LEU 27 19.563 -2.131 3.545
220 HD12 LEU 27 HD12 LEU 27 20.232 -3.729 3.222
221 HD13 LEU 27 HD13 LEU 27 18.680 -3.574 4.043
222 HD21 LEU 27 HD21 LEU 27 17.308 -4.849 2.300
223 HD22 LEU 27 HD22 LEU 27 18.937 -5.294 1.795
224 HD23 LEU 27 HD23 LEU 27 17.790 -4.663 0.614
225 HA PRO 28 HA PRO 28 17.407 -0.095 -2.508
226 HB2 PRO 28 HB2 PRO 28 17.997 2.531 -3.018
227 HB3 PRO 28 HB3 PRO 28 16.425 1.986 -2.407
228 HG2 PRO 28 HG2 PRO 28 18.511 3.487 -1.040
229 HG3 PRO 28 HG3 PRO 28 16.822 3.241 -0.592
230 HD2 PRO 28 HD2 PRO 28 19.165 1.898 0.439
231 HD3 PRO 28 HD3 PRO 28 17.487 1.774 0.976
232 H ASN 29 HN ASN 29 20.198 1.616 -1.053
233 HA ASN 29 HA ASN 29 21.908 1.155 -3.390
234 HB2 ASN 29 HB2 ASN 29 23.615 2.203 -1.898
235 HB3 ASN 29 HB3 ASN 29 22.130 3.149 -1.975
236 HD21 ASN 29 HD21 ASN 29 24.143 1.162 0.139
237 HD22 ASN 29 HD22 ASN 29 23.268 1.469 1.561
238 H ARG 30 HN ARG 30 21.380 -0.378 -0.234
239 HA ARG 30 HA ARG 30 22.221 -2.371 0.697
240 HB2 ARG 30 HB2 ARG 30 22.317 -2.832 -2.296
241 HB3 ARG 30 HB3 ARG 30 22.664 -4.115 -1.136
242 HG2 ARG 30 HG2 ARG 30 20.479 -4.152 -0.315
243 HG3 ARG 30 HG3 ARG 30 20.149 -2.499 -0.838
244 HD2 ARG 30 HD2 ARG 30 18.951 -3.986 -2.337
245 HD3 ARG 30 HD3 ARG 30 20.336 -3.342 -3.239
246 HE ARG 30 HE ARG 30 21.344 -5.625 -2.015
247 HH11 ARG 30 HH21 ARG 30 18.559 -6.713 -2.207
248 HH12 ARG 30 HH22 ARG 30 18.566 -7.461 -3.768
249 HH21 ARG 30 HH11 ARG 30 21.424 -5.797 -4.841
250 HH22 ARG 30 HH12 ARG 30 20.194 -6.942 -5.265
Start of MODEL 16
1 HA HIS 1 HA HIS 1 -8.548 20.751 -7.061
2 HB2 HIS 1 HB2 HIS 1 -7.204 22.435 -8.461
3 HB3 HIS 1 HB3 HIS 1 -8.142 21.874 -9.845
4 HD1 HIS 1 HD1 HIS 1 -8.518 23.669 -6.545
5 HD2 HIS 1 HD2 HIS 1 -10.828 22.749 -9.892
6 HE1 HIS 1 HE1 HIS 1 -10.663 24.998 -6.325
7 H SER 2 HN SER 2 -10.756 20.319 -7.451
8 HA SER 2 HA SER 2 -12.601 19.100 -8.265
9 HB2 SER 2 HB2 SER 2 -12.153 20.788 -10.070
10 HB3 SER 2 HB3 SER 2 -11.159 19.589 -10.893
11 HG SER 2 HG SER 2 -12.939 18.345 -11.226
12 H VAL 3 HN VAL 3 -11.243 17.238 -7.147
13 HA VAL 3 HA VAL 3 -11.149 15.007 -9.083
14 HB VAL 3 HB VAL 3 -8.903 15.646 -9.249
15 HG11 VAL 3 HG11 VAL 3 -7.769 15.963 -6.742
16 HG12 VAL 3 HG12 VAL 3 -9.343 16.737 -6.569
17 HG13 VAL 3 HG13 VAL 3 -8.237 17.267 -7.834
18 HG21 VAL 3 HG21 VAL 3 -8.408 13.943 -6.863
19 HG22 VAL 3 HG22 VAL 3 -7.793 13.787 -8.507
20 HG23 VAL 3 HG23 VAL 3 -9.428 13.253 -8.124
21 H SER 4 HN SER 4 -9.802 15.075 -5.806
22 HA SER 4 HA SER 4 -10.556 14.116 -3.789
23 HB2 SER 4 HB2 SER 4 -12.772 15.136 -4.922
24 HB3 SER 4 HB3 SER 4 -13.198 13.427 -4.960
25 HG SER 4 HG SER 4 -12.963 15.159 -2.839
26 H HIS 5 HN HIS 5 -10.654 12.441 -6.775
27 HA HIS 5 HA HIS 5 -10.946 9.796 -5.433
28 HB2 HIS 5 HB2 HIS 5 -11.347 8.995 -7.742
29 HB3 HIS 5 HB3 HIS 5 -12.430 10.321 -7.330
30 HD1 HIS 5 HD1 HIS 5 -12.308 12.410 -8.753
31 HD2 HIS 5 HD2 HIS 5 -9.113 9.826 -9.467
32 HE1 HIS 5 HE1 HIS 5 -11.058 13.348 -10.748
33 H ALA 6 HN ALA 6 -8.490 11.838 -6.102
34 HA ALA 6 HA ALA 6 -6.619 9.779 -7.178
35 HB1 ALA 6 HB1 ALA 6 -6.355 12.771 -6.714
36 HB2 ALA 6 HB2 ALA 6 -6.753 12.002 -8.251
37 HB3 ALA 6 HB3 ALA 6 -5.164 11.755 -7.527
38 H ARG 7 HN ARG 7 -7.481 9.317 -4.533
39 HA ARG 7 HA ARG 7 -5.123 10.150 -2.872
40 HB2 ARG 7 HB2 ARG 7 -8.029 9.562 -2.302
41 HB3 ARG 7 HB3 ARG 7 -6.832 9.471 -1.011
42 HG2 ARG 7 HG2 ARG 7 -6.247 11.873 -2.318
43 HG3 ARG 7 HG3 ARG 7 -8.009 11.823 -2.268
44 HD2 ARG 7 HD2 ARG 7 -6.790 10.965 0.264
45 HD3 ARG 7 HD3 ARG 7 -6.392 12.639 -0.170
46 HE ARG 7 HE ARG 7 -8.917 12.917 -0.565
47 HH11 ARG 7 HH11 ARG 7 -9.765 10.132 -0.013
48 HH12 ARG 7 HH12 ARG 7 -10.216 10.191 1.659
49 HH21 ARG 7 HH21 ARG 7 -8.553 13.181 2.276
50 HH22 ARG 7 HH22 ARG 7 -9.527 11.923 2.959
51 HA PRO 8 HA PRO 8 -4.073 5.862 -2.747
52 HB2 PRO 8 HB2 PRO 8 -2.521 5.832 -0.495
53 HB3 PRO 8 HB3 PRO 8 -1.983 6.539 -2.029
54 HG2 PRO 8 HG2 PRO 8 -2.969 7.876 0.424
55 HG3 PRO 8 HG3 PRO 8 -1.745 8.404 -0.739
56 HD2 PRO 8 HD2 PRO 8 -4.345 9.341 -0.635
57 HD3 PRO 8 HD3 PRO 8 -3.277 9.445 -2.051
58 H ARG 9 HN ARG 9 -6.660 6.041 -1.923
59 HA ARG 9 HA ARG 9 -6.724 4.430 0.617
60 HB2 ARG 9 HB2 ARG 9 -8.789 5.643 1.179
61 HB3 ARG 9 HB3 ARG 9 -7.465 6.777 0.929
62 HG2 ARG 9 HG2 ARG 9 -8.749 7.842 -0.582
63 HG3 ARG 9 HG3 ARG 9 -8.632 6.416 -1.612
64 HD2 ARG 9 HD2 ARG 9 -10.570 5.487 -0.085
65 HD3 ARG 9 HD3 ARG 9 -10.841 7.205 0.273
66 HE ARG 9 HE ARG 9 -11.127 7.594 -2.149
67 HH11 ARG 9 HH11 ARG 9 -13.175 5.492 -1.419
68 HH12 ARG 9 HH12 ARG 9 -12.943 4.325 -2.677
69 HH21 ARG 9 HH21 ARG 9 -9.848 5.589 -3.636
70 HH22 ARG 9 HH22 ARG 9 -11.052 4.380 -3.939
71 H TRP 10 HN TRP 10 -7.232 4.219 -2.660
72 HA TRP 10 HA TRP 10 -9.808 2.931 -2.866
73 HB2 TRP 10 HB2 TRP 10 -8.496 3.760 -4.798
74 HB3 TRP 10 HB3 TRP 10 -7.219 2.600 -4.434
75 HD1 TRP 10 HD1 TRP 10 -10.944 2.658 -5.455
76 HE1 TRP 10 HE1 TRP 10 -11.450 0.500 -6.773
77 HE3 TRP 10 HE3 TRP 10 -6.445 0.283 -5.023
78 HZ2 TRP 10 HZ2 TRP 10 -10.121 -1.913 -7.544
79 HZ3 TRP 10 HZ3 TRP 10 -6.091 -1.941 -6.057
80 HH2 TRP 10 HH2 TRP 10 -7.922 -3.040 -7.317
81 H PHE 11 HN PHE 11 -9.987 1.510 -1.050
82 HA PHE 11 HA PHE 11 -9.643 -0.468 0.198
83 HB2 PHE 11 HB2 PHE 11 -8.350 -1.216 -2.461
84 HB3 PHE 11 HB3 PHE 11 -8.674 -2.368 -1.166
85 HD1 PHE 11 HD1 PHE 11 -11.003 -2.923 -0.522
86 HD2 PHE 11 HD2 PHE 11 -10.138 -0.313 -3.821
87 HE1 PHE 11 HE1 PHE 11 -13.333 -3.174 -1.331
88 HE2 PHE 11 HE2 PHE 11 -12.466 -0.563 -4.631
89 HZ PHE 11 HZ PHE 11 -14.065 -1.993 -3.386
90 H TRP 12 HN TRP 12 -7.701 1.825 0.051
91 HA TRP 12 HA TRP 12 -5.509 2.430 0.643
92 HB2 TRP 12 HB2 TRP 12 -6.221 0.053 2.355
93 HB3 TRP 12 HB3 TRP 12 -4.766 1.004 2.630
94 HD1 TRP 12 HD1 TRP 12 -5.141 3.648 3.192
95 HE1 TRP 12 HE1 TRP 12 -7.101 4.828 4.383
96 HE3 TRP 12 HE3 TRP 12 -8.722 0.027 2.800
97 HZ2 TRP 12 HZ2 TRP 12 -9.828 4.306 5.074
98 HZ3 TRP 12 HZ3 TRP 12 -10.989 0.395 3.731
99 HH2 TRP 12 HH2 TRP 12 -11.545 2.528 4.866
100 H PHE 13 HN PHE 13 -5.692 0.841 -1.700
101 HA PHE 13 HA PHE 13 -3.656 -1.249 -1.675
102 HB2 PHE 13 HB2 PHE 13 -5.765 -0.993 -3.134
103 HB3 PHE 13 HB3 PHE 13 -4.858 0.226 -4.028
104 HD1 PHE 13 HD2 PHE 13 -5.018 -3.352 -3.109
105 HD2 PHE 13 HD1 PHE 13 -3.004 -0.380 -5.467
106 HE1 PHE 13 HE2 PHE 13 -3.889 -5.143 -4.402
107 HE2 PHE 13 HE1 PHE 13 -1.875 -2.170 -6.759
108 HZ PHE 13 HZ PHE 13 -2.317 -4.552 -6.227
109 H SER 14 HN SER 14 -3.917 2.047 -2.952
110 HA SER 14 HA SER 14 -1.247 2.259 -3.977
111 HB2 SER 14 HB2 SER 14 -3.345 3.726 -4.349
112 HB3 SER 14 HB3 SER 14 -2.909 4.507 -2.834
113 HG SER 14 HG SER 14 -0.889 5.013 -3.769
114 H LEU 15 HN LEU 15 -2.666 2.775 -0.811
115 HA LEU 15 HA LEU 15 -0.392 4.040 0.444
116 HB2 LEU 15 HB2 LEU 15 -2.841 3.962 1.181
117 HB3 LEU 15 HB3 LEU 15 -2.548 2.305 1.701
118 HG LEU 15 HG LEU 15 -2.321 4.220 3.454
119 HD11 LEU 15 HD11 LEU 15 -1.354 1.703 3.346
120 HD12 LEU 15 HD12 LEU 15 -1.053 2.783 4.707
121 HD13 LEU 15 HD13 LEU 15 0.165 2.591 3.447
122 HD21 LEU 15 HD21 LEU 15 0.478 4.382 2.340
123 HD22 LEU 15 HD22 LEU 15 -0.316 5.460 3.488
124 HD23 LEU 15 HD23 LEU 15 -0.775 5.492 1.786
125 H LEU 16 HN LEU 16 -1.506 0.654 0.179
126 HA LEU 16 HA LEU 16 0.519 -0.559 1.794
127 HB2 LEU 16 HB2 LEU 16 -1.702 -1.473 0.813
128 HB3 LEU 16 HB3 LEU 16 -0.772 -1.772 -0.654
129 HG LEU 16 HG LEU 16 0.612 -2.739 1.731
130 HD11 LEU 16 HD11 LEU 16 -1.712 -3.084 2.516
131 HD12 LEU 16 HD12 LEU 16 -0.913 -4.620 2.180
132 HD13 LEU 16 HD13 LEU 16 -2.077 -3.960 1.030
133 HD21 LEU 16 HD21 LEU 16 0.999 -3.256 -0.756
134 HD22 LEU 16 HD22 LEU 16 -0.424 -4.293 -0.650
135 HD23 LEU 16 HD23 LEU 16 0.994 -4.639 0.338
136 H LEU 17 HN LEU 17 0.379 0.189 -1.654
137 HA LEU 17 HA LEU 17 2.840 -1.014 -2.458
138 HB2 LEU 17 HB2 LEU 17 0.841 0.048 -3.779
139 HB3 LEU 17 HB3 LEU 17 1.752 1.548 -3.611
140 HG LEU 17 HG LEU 17 3.329 -0.792 -4.513
141 HD11 LEU 17 HD11 LEU 17 2.472 -0.857 -6.734
142 HD12 LEU 17 HD12 LEU 17 1.470 0.570 -6.469
143 HD13 LEU 17 HD13 LEU 17 1.054 -0.956 -5.690
144 HD21 LEU 17 HD21 LEU 17 3.094 1.937 -5.780
145 HD22 LEU 17 HD22 LEU 17 4.485 0.854 -5.753
146 HD23 LEU 17 HD23 LEU 17 4.004 1.706 -4.286
147 H LEU 18 HN LEU 18 2.087 2.080 -0.990
148 HA LEU 18 HA LEU 18 4.721 3.252 -1.287
149 HB2 LEU 18 HB2 LEU 18 2.400 4.342 -0.868
150 HB3 LEU 18 HB3 LEU 18 2.679 3.934 0.827
151 HG LEU 18 HG LEU 18 5.087 5.094 -0.053
152 HD11 LEU 18 HD11 LEU 18 4.361 7.261 -0.963
153 HD12 LEU 18 HD12 LEU 18 2.686 6.713 -0.958
154 HD13 LEU 18 HD13 LEU 18 3.861 5.948 -2.029
155 HD21 LEU 18 HD21 LEU 18 2.852 6.518 1.414
156 HD22 LEU 18 HD22 LEU 18 4.590 6.745 1.609
157 HD23 LEU 18 HD23 LEU 18 3.828 5.256 2.168
158 H ALA 19 HN ALA 19 3.110 1.304 1.168
159 HA ALA 19 HA ALA 19 4.987 1.595 3.305
160 HB1 ALA 19 HB1 ALA 19 3.878 -0.331 4.190
161 HB2 ALA 19 HB2 ALA 19 3.479 -0.930 2.579
162 HB3 ALA 19 HB3 ALA 19 2.657 0.493 3.220
163 H ALA 20 HN ALA 20 4.839 -0.769 0.620
164 HA ALA 20 HA ALA 20 7.235 -2.209 1.332
165 HB1 ALA 20 HB1 ALA 20 7.009 -3.018 -1.030
166 HB2 ALA 20 HB2 ALA 20 5.772 -1.791 -1.298
167 HB3 ALA 20 HB3 ALA 20 5.487 -3.094 -0.143
168 H GLY 21 HN GLY 21 6.606 0.663 -0.667
169 HA2 GLY 21 HA2 GLY 21 9.224 0.866 -1.836
170 HA3 GLY 21 HA3 GLY 21 8.067 2.190 -1.687
171 H VAL 22 HN VAL 22 7.798 2.181 1.158
172 HA VAL 22 HA VAL 22 9.975 3.843 1.968
173 HB VAL 22 HB VAL 22 7.930 2.222 3.529
174 HG11 VAL 22 HG11 VAL 22 8.431 4.131 5.250
175 HG12 VAL 22 HG12 VAL 22 9.964 4.269 4.388
176 HG13 VAL 22 HG13 VAL 22 9.524 2.749 5.168
177 HG21 VAL 22 HG21 VAL 22 7.670 5.141 3.410
178 HG22 VAL 22 HG22 VAL 22 6.466 3.894 3.084
179 HG23 VAL 22 HG23 VAL 22 7.590 4.385 1.818
180 H GLY 23 HN GLY 23 9.340 0.370 2.560
181 HA2 GLY 23 HA2 GLY 23 11.644 -0.100 4.207
182 HA3 GLY 23 HA3 GLY 23 10.760 -1.340 3.318
183 H ILE 24 HN ILE 24 11.099 -0.462 0.688
184 HA ILE 24 HA ILE 24 13.761 -1.397 0.071
185 HB ILE 24 HB ILE 24 11.521 -0.050 -1.474
186 HG12 ILE 24 HG12 ILE 24 12.660 -2.851 -1.689
187 HG13 ILE 24 HG13 ILE 24 11.331 -2.439 -0.606
188 HG21 ILE 24 HG21 ILE 24 12.811 -0.763 -3.534
189 HG22 ILE 24 HG22 ILE 24 14.204 -1.035 -2.487
190 HG23 ILE 24 HG23 ILE 24 13.528 0.586 -2.653
191 HD11 ILE 24 HD11 ILE 24 11.368 -2.164 -3.625
192 HD12 ILE 24 HD12 ILE 24 10.081 -1.535 -2.596
193 HD13 ILE 24 HD13 ILE 24 10.379 -3.272 -2.673
194 H TYR 25 HN TYR 25 12.322 1.866 0.347
195 HA TYR 25 HA TYR 25 14.535 3.331 -0.757
196 HB2 TYR 25 HB2 TYR 25 12.129 4.071 -0.148
197 HB3 TYR 25 HB3 TYR 25 12.750 4.276 1.492
198 HD1 TYR 25 HD1 TYR 25 12.983 5.452 -2.003
199 HD2 TYR 25 HD2 TYR 25 14.370 6.011 2.025
200 HE1 TYR 25 HE1 TYR 25 13.956 7.642 -2.642
201 HE2 TYR 25 HE2 TYR 25 15.341 8.202 1.385
202 HH TYR 25 HH TYR 25 14.575 9.952 -0.911
203 H LEU 26 HN LEU 26 13.999 1.816 2.366
204 HA LEU 26 HA LEU 26 16.208 3.186 3.724
205 HB2 LEU 26 HB2 LEU 26 14.088 1.220 4.273
206 HB3 LEU 26 HB3 LEU 26 15.602 0.830 5.085
207 HG LEU 26 HG LEU 26 14.216 2.258 6.521
208 HD11 LEU 26 HD11 LEU 26 16.810 2.529 6.238
209 HD12 LEU 26 HD12 LEU 26 15.911 3.729 7.167
210 HD13 LEU 26 HD13 LEU 26 16.382 4.075 5.504
211 HD21 LEU 26 HD21 LEU 26 12.912 3.404 4.804
212 HD22 LEU 26 HD22 LEU 26 14.362 4.203 4.196
213 HD23 LEU 26 HD23 LEU 26 13.740 4.602 5.797
214 H LEU 27 HN LEU 27 15.726 0.319 1.755
215 HA LEU 27 HA LEU 27 18.646 -0.323 1.985
216 HB2 LEU 27 HB2 LEU 27 16.801 -1.784 3.191
217 HB3 LEU 27 HB3 LEU 27 16.527 -2.417 1.568
218 HG LEU 27 HG LEU 27 19.200 -2.593 1.601
219 HD11 LEU 27 HD11 LEU 27 19.152 -1.583 3.965
220 HD12 LEU 27 HD12 LEU 27 20.103 -3.054 3.753
221 HD13 LEU 27 HD13 LEU 27 18.504 -3.136 4.492
222 HD21 LEU 27 HD21 LEU 27 17.371 -4.404 1.383
223 HD22 LEU 27 HD22 LEU 27 17.585 -4.649 3.115
224 HD23 LEU 27 HD23 LEU 27 18.935 -4.916 2.015
225 HA PRO 28 HA PRO 28 17.157 -0.226 -2.441
226 HB2 PRO 28 HB2 PRO 28 17.793 2.329 -3.198
227 HB3 PRO 28 HB3 PRO 28 16.225 1.878 -2.505
228 HG2 PRO 28 HG2 PRO 28 18.364 3.454 -1.328
229 HG3 PRO 28 HG3 PRO 28 16.690 3.265 -0.808
230 HD2 PRO 28 HD2 PRO 28 19.063 1.974 0.238
231 HD3 PRO 28 HD3 PRO 28 17.411 1.945 0.867
232 H ASN 29 HN ASN 29 20.087 0.845 -0.864
233 HA ASN 29 HA ASN 29 21.761 0.785 -3.262
234 HB2 ASN 29 HB2 ASN 29 23.535 1.270 -1.699
235 HB3 ASN 29 HB3 ASN 29 22.120 2.169 -1.165
236 HD21 ASN 29 HD21 ASN 29 21.062 1.473 0.834
237 HD22 ASN 29 HD22 ASN 29 21.793 0.354 1.879
238 H ARG 30 HN ARG 30 20.880 -1.497 -0.695
239 HA ARG 30 HA ARG 30 21.367 -3.782 -0.402
240 HB2 ARG 30 HB2 ARG 30 20.474 -3.217 -2.976
241 HB3 ARG 30 HB3 ARG 30 21.891 -4.225 -3.259
242 HG2 ARG 30 HG2 ARG 30 19.725 -4.972 -1.281
243 HG3 ARG 30 HG3 ARG 30 19.685 -5.477 -2.970
244 HD2 ARG 30 HD2 ARG 30 22.176 -5.981 -1.353
245 HD3 ARG 30 HD3 ARG 30 20.789 -7.075 -1.191
246 HE ARG 30 HE ARG 30 20.929 -6.991 -3.859
247 HH11 ARG 30 HH11 ARG 30 23.755 -5.744 -3.207
248 HH12 ARG 30 HH12 ARG 30 24.749 -7.130 -3.520
249 HH21 ARG 30 HH21 ARG 30 22.087 -9.369 -3.533
250 HH22 ARG 30 HH22 ARG 30 23.801 -9.190 -3.702
Start of MODEL 17
1 HA HIS 1 HA HIS 1 -16.856 -1.778 8.631
2 HB2 HIS 1 HB2 HIS 1 -18.885 -2.141 6.592
3 HB3 HIS 1 HB3 HIS 1 -18.524 -3.682 7.368
4 HD1 HIS 1 HD1 HIS 1 -19.985 -0.306 8.029
5 HD2 HIS 1 HD2 HIS 1 -19.100 -3.767 10.179
6 HE1 HIS 1 HE1 HIS 1 -21.147 -0.075 10.268
7 H SER 2 HN SER 2 -16.340 -4.051 9.258
8 HA SER 2 HA SER 2 -14.404 -5.301 7.340
9 HB2 SER 2 HB2 SER 2 -13.554 -6.301 9.564
10 HB3 SER 2 HB3 SER 2 -13.321 -4.573 9.330
11 HG SER 2 HG SER 2 -14.959 -5.944 11.088
12 H VAL 3 HN VAL 3 -17.077 -5.948 6.878
13 HA VAL 3 HA VAL 3 -17.293 -8.732 7.988
14 HB VAL 3 HB VAL 3 -19.773 -8.372 7.695
15 HG11 VAL 3 HG11 VAL 3 -18.364 -6.374 9.491
16 HG12 VAL 3 HG12 VAL 3 -18.645 -8.071 9.882
17 HG13 VAL 3 HG13 VAL 3 -20.011 -6.971 9.698
18 HG21 VAL 3 HG21 VAL 3 -20.664 -6.274 7.132
19 HG22 VAL 3 HG22 VAL 3 -19.287 -6.405 6.036
20 HG23 VAL 3 HG23 VAL 3 -19.161 -5.429 7.501
21 H SER 4 HN SER 4 -15.959 -7.787 5.484
22 HA SER 4 HA SER 4 -17.666 -9.202 3.470
23 HB2 SER 4 HB2 SER 4 -15.854 -6.804 3.338
24 HB3 SER 4 HB3 SER 4 -16.204 -7.730 1.883
25 HG SER 4 HG SER 4 -18.067 -6.484 3.633
26 H HIS 5 HN HIS 5 -14.248 -8.253 3.691
27 HA HIS 5 HA HIS 5 -13.482 -11.122 3.248
28 HB2 HIS 5 HB2 HIS 5 -12.484 -8.564 1.968
29 HB3 HIS 5 HB3 HIS 5 -11.606 -10.089 1.851
30 HD1 HIS 5 HD1 HIS 5 -14.389 -8.221 0.362
31 HD2 HIS 5 HD2 HIS 5 -13.197 -12.212 0.536
32 HE1 HIS 5 HE1 HIS 5 -15.688 -9.437 -1.442
33 H ALA 6 HN ALA 6 -13.511 -9.108 5.660
34 HA ALA 6 HA ALA 6 -12.143 -8.625 7.517
35 HB1 ALA 6 HB1 ALA 6 -10.612 -11.026 6.478
36 HB2 ALA 6 HB2 ALA 6 -12.153 -11.152 7.324
37 HB3 ALA 6 HB3 ALA 6 -10.743 -10.489 8.152
38 H ARG 7 HN ARG 7 -11.408 -7.333 4.927
39 HA ARG 7 HA ARG 7 -8.637 -6.573 5.661
40 HB2 ARG 7 HB2 ARG 7 -8.601 -8.531 4.056
41 HB3 ARG 7 HB3 ARG 7 -9.405 -7.499 2.874
42 HG2 ARG 7 HG2 ARG 7 -7.033 -7.404 2.427
43 HG3 ARG 7 HG3 ARG 7 -7.504 -5.858 3.133
44 HD2 ARG 7 HD2 ARG 7 -6.854 -6.981 5.415
45 HD3 ARG 7 HD3 ARG 7 -5.939 -8.105 4.392
46 HE ARG 7 HE ARG 7 -5.589 -5.178 3.953
47 HH11 ARG 7 HH11 ARG 7 -3.932 -7.484 2.754
48 HH12 ARG 7 HH12 ARG 7 -2.483 -7.356 3.692
49 HH21 ARG 7 HH21 ARG 7 -3.923 -5.332 6.122
50 HH22 ARG 7 HH22 ARG 7 -2.477 -6.130 5.606
51 HA PRO 8 HA PRO 8 -11.126 -2.963 4.373
52 HB2 PRO 8 HB2 PRO 8 -9.950 -1.218 6.124
53 HB3 PRO 8 HB3 PRO 8 -11.294 -2.285 6.579
54 HG2 PRO 8 HG2 PRO 8 -8.386 -2.567 7.121
55 HG3 PRO 8 HG3 PRO 8 -9.773 -2.990 8.137
56 HD2 PRO 8 HD2 PRO 8 -8.306 -4.805 6.692
57 HD3 PRO 8 HD3 PRO 8 -9.992 -5.054 7.196
58 H ARG 9 HN ARG 9 -9.968 -2.968 2.315
59 HA ARG 9 HA ARG 9 -7.416 -1.390 2.321
60 HB2 ARG 9 HB2 ARG 9 -8.166 -3.926 1.228
61 HB3 ARG 9 HB3 ARG 9 -7.873 -2.833 -0.123
62 HG2 ARG 9 HG2 ARG 9 -5.772 -2.225 1.537
63 HG3 ARG 9 HG3 ARG 9 -5.970 -3.954 1.829
64 HD2 ARG 9 HD2 ARG 9 -6.034 -4.225 -0.730
65 HD3 ARG 9 HD3 ARG 9 -5.427 -2.560 -0.803
66 HE ARG 9 HE ARG 9 -3.560 -3.410 0.758
67 HH11 ARG 9 HH21 ARG 9 -4.722 -6.225 0.841
68 HH12 ARG 9 HH22 ARG 9 -3.717 -7.043 -0.309
69 HH21 ARG 9 HH11 ARG 9 -2.495 -4.109 -1.719
70 HH22 ARG 9 HH12 ARG 9 -2.451 -5.840 -1.763
71 H TRP 10 HN TRP 10 -9.599 -2.162 -0.392
72 HA TRP 10 HA TRP 10 -10.558 -0.755 -2.017
73 HB2 TRP 10 HB2 TRP 10 -11.314 0.157 0.711
74 HB3 TRP 10 HB3 TRP 10 -11.715 1.254 -0.610
75 HD1 TRP 10 HD1 TRP 10 -12.448 -2.257 0.704
76 HE1 TRP 10 HE1 TRP 10 -14.564 -3.155 -0.464
77 HE3 TRP 10 HE3 TRP 10 -13.188 1.437 -2.743
78 HZ2 TRP 10 HZ2 TRP 10 -16.336 -2.404 -2.580
79 HZ3 TRP 10 HZ3 TRP 10 -15.096 1.321 -4.321
80 HH2 TRP 10 HH2 TRP 10 -16.670 -0.593 -4.243
81 H PHE 11 HN PHE 11 -10.018 2.076 0.000
82 HA PHE 11 HA PHE 11 -8.454 3.349 -2.138
83 HB2 PHE 11 HB2 PHE 11 -10.177 4.589 -0.969
84 HB3 PHE 11 HB3 PHE 11 -9.463 4.200 0.596
85 HD1 PHE 11 HD1 PHE 11 -8.949 6.099 -2.560
86 HD2 PHE 11 HD2 PHE 11 -7.618 5.448 1.473
87 HE1 PHE 11 HE1 PHE 11 -7.510 8.113 -2.709
88 HE2 PHE 11 HE2 PHE 11 -6.180 7.462 1.323
89 HZ PHE 11 HZ PHE 11 -6.126 8.795 -0.768
90 H TRP 12 HN TRP 12 -7.814 1.862 1.000
91 HA TRP 12 HA TRP 12 -5.215 3.043 1.442
92 HB2 TRP 12 HB2 TRP 12 -6.450 0.459 2.439
93 HB3 TRP 12 HB3 TRP 12 -5.044 1.252 3.144
94 HD1 TRP 12 HD1 TRP 12 -8.381 0.835 4.041
95 HE1 TRP 12 HE1 TRP 12 -9.394 2.862 5.266
96 HE3 TRP 12 HE3 TRP 12 -4.969 4.424 2.783
97 HZ2 TRP 12 HZ2 TRP 12 -8.834 5.640 5.659
98 HZ3 TRP 12 HZ3 TRP 12 -5.235 6.749 3.595
99 HH2 TRP 12 HH2 TRP 12 -7.161 7.361 5.030
100 H PHE 13 HN PHE 13 -6.124 0.946 -0.998
101 HA PHE 13 HA PHE 13 -4.047 -1.009 -1.044
102 HB2 PHE 13 HB2 PHE 13 -6.185 -0.812 -2.440
103 HB3 PHE 13 HB3 PHE 13 -5.317 0.363 -3.426
104 HD1 PHE 13 HD1 PHE 13 -3.182 -0.336 -4.594
105 HD2 PHE 13 HD2 PHE 13 -5.803 -3.149 -2.679
106 HE1 PHE 13 HE1 PHE 13 -2.125 -2.187 -5.864
107 HE2 PHE 13 HE2 PHE 13 -4.746 -5.000 -3.948
108 HZ PHE 13 HZ PHE 13 -2.907 -4.518 -5.540
109 H SER 14 HN SER 14 -4.173 2.297 -2.301
110 HA SER 14 HA SER 14 -1.604 2.292 -3.593
111 HB2 SER 14 HB2 SER 14 -1.910 4.772 -3.460
112 HB3 SER 14 HB3 SER 14 -3.353 3.950 -4.044
113 HG SER 14 HG SER 14 -4.334 4.838 -2.418
114 H LEU 15 HN LEU 15 -2.671 2.998 -0.324
115 HA LEU 15 HA LEU 15 -0.205 4.029 0.737
116 HB2 LEU 15 HB2 LEU 15 -2.496 4.208 1.737
117 HB3 LEU 15 HB3 LEU 15 -2.455 2.480 2.074
118 HG LEU 15 HG LEU 15 -0.066 3.836 3.061
119 HD11 LEU 15 HD11 LEU 15 -2.799 4.780 3.946
120 HD12 LEU 15 HD12 LEU 15 -1.414 5.757 3.458
121 HD13 LEU 15 HD13 LEU 15 -1.385 4.893 4.995
122 HD21 LEU 15 HD21 LEU 15 -0.770 1.565 3.708
123 HD22 LEU 15 HD22 LEU 15 -2.269 2.212 4.378
124 HD23 LEU 15 HD23 LEU 15 -0.721 2.619 5.123
125 H LEU 16 HN LEU 16 -1.580 0.732 0.552
126 HA LEU 16 HA LEU 16 0.549 -0.593 1.964
127 HB2 LEU 16 HB2 LEU 16 -1.882 -1.323 1.276
128 HB3 LEU 16 HB3 LEU 16 -1.105 -1.853 -0.216
129 HG LEU 16 HG LEU 16 0.349 -2.678 2.201
130 HD11 LEU 16 HD11 LEU 16 -2.004 -4.397 1.822
131 HD12 LEU 16 HD12 LEU 16 -2.397 -2.805 2.475
132 HD13 LEU 16 HD13 LEU 16 -1.244 -3.843 3.314
133 HD21 LEU 16 HD21 LEU 16 0.906 -3.555 0.010
134 HD22 LEU 16 HD22 LEU 16 -0.757 -4.080 -0.251
135 HD23 LEU 16 HD23 LEU 16 0.237 -4.873 0.971
136 H LEU 17 HN LEU 17 0.039 0.249 -1.409
137 HA LEU 17 HA LEU 17 2.262 -1.220 -2.512
138 HB2 LEU 17 HB2 LEU 17 0.155 -0.012 -3.566
139 HB3 LEU 17 HB3 LEU 17 1.240 1.377 -3.628
140 HG LEU 17 HG LEU 17 2.920 -0.321 -4.715
141 HD11 LEU 17 HD11 LEU 17 1.676 -2.024 -6.087
142 HD12 LEU 17 HD12 LEU 17 0.227 -1.646 -5.155
143 HD13 LEU 17 HD13 LEU 17 1.634 -2.346 -4.354
144 HD21 LEU 17 HD21 LEU 17 2.079 0.291 -6.920
145 HD22 LEU 17 HD22 LEU 17 1.832 1.649 -5.823
146 HD23 LEU 17 HD23 LEU 17 0.476 0.609 -6.257
147 H LEU 18 HN LEU 18 1.879 1.935 -1.045
148 HA LEU 18 HA LEU 18 4.501 2.973 -1.711
149 HB2 LEU 18 HB2 LEU 18 2.210 4.067 -0.901
150 HB3 LEU 18 HB3 LEU 18 2.929 3.836 0.692
151 HG LEU 18 HG LEU 18 4.725 5.012 -1.353
152 HD11 LEU 18 HD11 LEU 18 3.028 6.416 -2.045
153 HD12 LEU 18 HD12 LEU 18 3.558 7.301 -0.613
154 HD13 LEU 18 HD13 LEU 18 2.137 6.259 -0.531
155 HD21 LEU 18 HD21 LEU 18 5.502 4.794 0.917
156 HD22 LEU 18 HD22 LEU 18 4.038 5.546 1.551
157 HD23 LEU 18 HD23 LEU 18 5.203 6.509 0.643
158 H ALA 19 HN ALA 19 3.169 1.049 0.907
159 HA ALA 19 HA ALA 19 5.260 1.300 2.836
160 HB1 ALA 19 HB1 ALA 19 3.608 -1.165 2.205
161 HB2 ALA 19 HB2 ALA 19 2.952 0.241 3.044
162 HB3 ALA 19 HB3 ALA 19 4.262 -0.688 3.773
163 H ALA 20 HN ALA 20 4.869 -0.938 0.075
164 HA ALA 20 HA ALA 20 7.231 -2.511 0.558
165 HB1 ALA 20 HB1 ALA 20 5.432 -3.250 -0.900
166 HB2 ALA 20 HB2 ALA 20 6.885 -3.075 -1.884
167 HB3 ALA 20 HB3 ALA 20 5.633 -1.835 -1.934
168 H GLY 21 HN GLY 21 6.643 0.478 -1.294
169 HA2 GLY 21 HA2 GLY 21 9.254 0.663 -2.478
170 HA3 GLY 21 HA3 GLY 21 8.133 2.008 -2.267
171 H VAL 22 HN VAL 22 7.884 1.909 0.574
172 HA VAL 22 HA VAL 22 10.161 3.441 1.410
173 HB VAL 22 HB VAL 22 7.978 1.969 2.927
174 HG11 VAL 22 HG11 VAL 22 9.584 2.334 4.595
175 HG12 VAL 22 HG12 VAL 22 8.622 3.809 4.681
176 HG13 VAL 22 HG13 VAL 22 10.172 3.816 3.842
177 HG21 VAL 22 HG21 VAL 22 6.707 3.881 2.706
178 HG22 VAL 22 HG22 VAL 22 7.655 4.027 1.227
179 HG23 VAL 22 HG23 VAL 22 8.117 4.939 2.664
180 H GLY 23 HN GLY 23 9.320 -0.006 1.823
181 HA2 GLY 23 HA2 GLY 23 11.413 -0.722 3.618
182 HA3 GLY 23 HA3 GLY 23 10.643 -1.831 2.480
183 H ILE 24 HN ILE 24 11.327 -0.759 0.036
184 HA ILE 24 HA ILE 24 14.111 -1.561 -0.241
185 HB ILE 24 HB ILE 24 12.076 -0.260 -2.093
186 HG12 ILE 24 HG12 ILE 24 11.462 -2.517 -1.369
187 HG13 ILE 24 HG13 ILE 24 11.967 -2.561 -3.057
188 HG21 ILE 24 HG21 ILE 24 13.609 -1.041 -3.926
189 HG22 ILE 24 HG22 ILE 24 14.820 -1.400 -2.695
190 HG23 ILE 24 HG23 ILE 24 14.284 0.261 -2.946
191 HD11 ILE 24 HD11 ILE 24 13.443 -3.536 -0.620
192 HD12 ILE 24 HD12 ILE 24 14.332 -3.098 -2.078
193 HD13 ILE 24 HD13 ILE 24 13.125 -4.382 -2.135
194 H TYR 25 HN TYR 25 12.396 1.574 -0.140
195 HA TYR 25 HA TYR 25 14.635 3.217 -0.903
196 HB2 TYR 25 HB2 TYR 25 12.134 3.786 -0.730
197 HB3 TYR 25 HB3 TYR 25 12.408 3.969 1.005
198 HD1 TYR 25 HD1 TYR 25 13.230 5.292 -2.346
199 HD2 TYR 25 HD2 TYR 25 13.740 5.800 1.889
200 HE1 TYR 25 HE1 TYR 25 14.140 7.567 -2.729
201 HE2 TYR 25 HE2 TYR 25 14.647 8.075 1.507
202 HH TYR 25 HH TYR 25 14.225 9.853 -0.842
203 H LEU 26 HN LEU 26 13.719 1.647 2.108
204 HA LEU 26 HA LEU 26 15.570 3.186 3.784
205 HB2 LEU 26 HB2 LEU 26 13.697 0.862 4.030
206 HB3 LEU 26 HB3 LEU 26 14.972 1.004 5.237
207 HG LEU 26 HG LEU 26 13.157 3.317 4.521
208 HD11 LEU 26 HD11 LEU 26 12.844 1.251 6.722
209 HD12 LEU 26 HD12 LEU 26 11.752 1.495 5.358
210 HD13 LEU 26 HD13 LEU 26 11.906 2.741 6.598
211 HD21 LEU 26 HD21 LEU 26 13.910 4.119 6.758
212 HD22 LEU 26 HD22 LEU 26 15.260 3.897 5.644
213 HD23 LEU 26 HD23 LEU 26 14.944 2.696 6.897
214 H LEU 27 HN LEU 27 15.706 0.401 1.692
215 HA LEU 27 HA LEU 27 18.557 -0.067 2.483
216 HB2 LEU 27 HB2 LEU 27 16.663 -1.685 3.336
217 HB3 LEU 27 HB3 LEU 27 16.684 -2.286 1.678
218 HG LEU 27 HG LEU 27 19.318 -2.323 2.105
219 HD11 LEU 27 HD11 LEU 27 19.042 -1.331 4.391
220 HD12 LEU 27 HD12 LEU 27 19.866 -2.890 4.405
221 HD13 LEU 27 HD13 LEU 27 18.169 -2.786 4.874
222 HD21 LEU 27 HD21 LEU 27 17.847 -4.262 1.543
223 HD22 LEU 27 HD22 LEU 27 17.447 -4.421 3.253
224 HD23 LEU 27 HD23 LEU 27 19.103 -4.685 2.707
225 HA PRO 28 HA PRO 28 17.873 -0.023 -2.143
226 HB2 PRO 28 HB2 PRO 28 18.363 2.596 -2.787
227 HB3 PRO 28 HB3 PRO 28 16.753 1.971 -2.387
228 HG2 PRO 28 HG2 PRO 28 18.464 3.750 -0.851
229 HG3 PRO 28 HG3 PRO 28 16.754 3.377 -0.641
230 HD2 PRO 28 HD2 PRO 28 19.022 2.330 0.826
231 HD3 PRO 28 HD3 PRO 28 17.296 2.116 1.143
232 H ASN 29 HN ASN 29 20.350 1.470 -0.129
233 HA ASN 29 HA ASN 29 22.411 1.262 -2.254
234 HB2 ASN 29 HB2 ASN 29 22.146 2.438 0.493
235 HB3 ASN 29 HB3 ASN 29 23.764 2.100 -0.121
236 HD21 ASN 29 HD21 ASN 29 24.645 3.603 -1.597
237 HD22 ASN 29 HD22 ASN 29 23.764 4.872 -2.299
238 H ARG 30 HN ARG 30 21.146 -0.658 0.334
239 HA ARG 30 HA ARG 30 21.809 -2.723 1.241
240 HB2 ARG 30 HB2 ARG 30 22.442 -2.618 -1.504
241 HB3 ARG 30 HB3 ARG 30 23.863 -3.320 -0.732
242 HG2 ARG 30 HG2 ARG 30 22.414 -5.156 -1.227
243 HG3 ARG 30 HG3 ARG 30 22.262 -4.873 0.508
244 HD2 ARG 30 HD2 ARG 30 20.241 -3.394 -0.043
245 HD3 ARG 30 HD3 ARG 30 20.317 -4.079 -1.678
246 HE ARG 30 HE ARG 30 19.991 -5.740 0.797
247 HH11 ARG 30 HH21 ARG 30 17.742 -4.993 -1.202
248 HH12 ARG 30 HH22 ARG 30 17.627 -6.467 -2.105
249 HH21 ARG 30 HH11 ARG 30 20.664 -7.714 -0.956
250 HH22 ARG 30 HH12 ARG 30 19.288 -8.015 -1.964
Start of MODEL 18
1 HA HIS 1 HA HIS 1 -12.894 -18.589 7.502
2 HB2 HIS 1 HB2 HIS 1 -14.275 -20.313 6.424
3 HB3 HIS 1 HB3 HIS 1 -13.791 -20.856 8.028
4 HD1 HIS 1 HD1 HIS 1 -16.783 -19.544 6.124
5 HD2 HIS 1 HD2 HIS 1 -15.918 -21.201 9.854
6 HE1 HIS 1 HE1 HIS 1 -19.010 -20.044 7.224
7 H SER 2 HN SER 2 -13.954 -17.972 5.379
8 HA SER 2 HA SER 2 -15.127 -16.374 4.098
9 HB2 SER 2 HB2 SER 2 -17.301 -16.969 6.129
10 HB3 SER 2 HB3 SER 2 -17.521 -16.449 4.461
11 HG SER 2 HG SER 2 -17.433 -18.475 3.942
12 H VAL 3 HN VAL 3 -13.453 -15.188 6.053
13 HA VAL 3 HA VAL 3 -15.115 -12.875 7.009
14 HB VAL 3 HB VAL 3 -14.009 -14.517 8.652
15 HG11 VAL 3 HG11 VAL 3 -11.656 -14.329 9.044
16 HG12 VAL 3 HG12 VAL 3 -11.514 -12.960 7.944
17 HG13 VAL 3 HG13 VAL 3 -11.844 -14.571 7.308
18 HG21 VAL 3 HG21 VAL 3 -12.825 -12.119 9.608
19 HG22 VAL 3 HG22 VAL 3 -14.410 -12.775 10.019
20 HG23 VAL 3 HG23 VAL 3 -14.244 -11.648 8.673
21 H SER 4 HN SER 4 -13.545 -13.373 4.389
22 HA SER 4 HA SER 4 -11.549 -11.164 4.573
23 HB2 SER 4 HB2 SER 4 -11.291 -13.626 3.581
24 HB3 SER 4 HB3 SER 4 -11.967 -12.857 2.149
25 HG SER 4 HG SER 4 -9.533 -12.847 2.634
26 H HIS 5 HN HIS 5 -14.720 -11.806 3.436
27 HA HIS 5 HA HIS 5 -14.623 -9.607 1.423
28 HB2 HIS 5 HB2 HIS 5 -16.401 -11.939 2.062
29 HB3 HIS 5 HB3 HIS 5 -17.073 -10.583 1.158
30 HD1 HIS 5 HD1 HIS 5 -14.054 -12.914 0.994
31 HD2 HIS 5 HD2 HIS 5 -16.489 -10.678 -1.546
32 HE1 HIS 5 HE1 HIS 5 -13.302 -13.441 -1.365
33 H ALA 6 HN ALA 6 -14.429 -8.826 4.192
34 HA ALA 6 HA ALA 6 -17.065 -7.429 4.546
35 HB1 ALA 6 HB1 ALA 6 -15.196 -8.510 6.681
36 HB2 ALA 6 HB2 ALA 6 -16.667 -9.315 6.135
37 HB3 ALA 6 HB3 ALA 6 -16.767 -7.758 6.957
38 H ARG 7 HN ARG 7 -14.281 -6.656 3.369
39 HA ARG 7 HA ARG 7 -14.070 -4.075 4.845
40 HB2 ARG 7 HB2 ARG 7 -12.216 -6.310 4.905
41 HB3 ARG 7 HB3 ARG 7 -11.435 -4.882 4.231
42 HG2 ARG 7 HG2 ARG 7 -11.091 -4.375 6.435
43 HG3 ARG 7 HG3 ARG 7 -12.732 -3.742 6.316
44 HD2 ARG 7 HD2 ARG 7 -12.732 -5.165 8.251
45 HD3 ARG 7 HD3 ARG 7 -13.515 -6.117 6.977
46 HE ARG 7 HE ARG 7 -10.595 -6.433 7.105
47 HH11 ARG 7 HH21 ARG 7 -12.618 -8.465 6.097
48 HH12 ARG 7 HH22 ARG 7 -12.563 -9.656 7.354
49 HH21 ARG 7 HH11 ARG 7 -10.983 -7.548 9.630
50 HH22 ARG 7 HH12 ARG 7 -11.635 -9.132 9.367
51 HA PRO 8 HA PRO 8 -13.732 -2.570 0.720
52 HB2 PRO 8 HB2 PRO 8 -12.526 -0.153 1.194
53 HB3 PRO 8 HB3 PRO 8 -14.233 -0.480 1.548
54 HG2 PRO 8 HG2 PRO 8 -11.906 -0.376 3.388
55 HG3 PRO 8 HG3 PRO 8 -13.581 0.127 3.652
56 HD2 PRO 8 HD2 PRO 8 -12.501 -2.214 4.598
57 HD3 PRO 8 HD3 PRO 8 -14.234 -1.953 4.310
58 H ARG 9 HN ARG 9 -10.734 -1.496 2.402
59 HA ARG 9 HA ARG 9 -8.468 -1.710 1.799
60 HB2 ARG 9 HB2 ARG 9 -9.851 -4.259 1.132
61 HB3 ARG 9 HB3 ARG 9 -8.235 -4.051 0.458
62 HG2 ARG 9 HG2 ARG 9 -7.242 -3.836 2.586
63 HG3 ARG 9 HG3 ARG 9 -8.782 -3.479 3.366
64 HD2 ARG 9 HD2 ARG 9 -8.366 -5.738 3.969
65 HD3 ARG 9 HD3 ARG 9 -9.468 -5.883 2.586
66 HE ARG 9 HE ARG 9 -7.671 -6.754 1.316
67 HH11 ARG 9 HH21 ARG 9 -6.505 -7.457 4.088
68 HH12 ARG 9 HH22 ARG 9 -4.878 -6.893 3.898
69 HH21 ARG 9 HH11 ARG 9 -5.590 -4.998 1.070
70 HH22 ARG 9 HH12 ARG 9 -4.358 -5.494 2.183
71 H TRP 10 HN TRP 10 -10.513 -0.525 -0.251
72 HA TRP 10 HA TRP 10 -8.995 -1.028 -2.768
73 HB2 TRP 10 HB2 TRP 10 -10.930 -0.153 -3.872
74 HB3 TRP 10 HB3 TRP 10 -11.550 -1.157 -2.567
75 HD1 TRP 10 HD1 TRP 10 -12.924 -0.009 -0.686
76 HE1 TRP 10 HE1 TRP 10 -13.801 2.388 -0.324
77 HE3 TRP 10 HE3 TRP 10 -10.306 2.446 -4.319
78 HZ2 TRP 10 HZ2 TRP 10 -13.442 5.001 -1.432
79 HZ3 TRP 10 HZ3 TRP 10 -10.594 4.885 -4.645
80 HH2 TRP 10 HH2 TRP 10 -12.157 6.165 -3.207
81 H PHE 11 HN PHE 11 -9.794 1.511 -0.434
82 HA PHE 11 HA PHE 11 -8.421 3.614 -1.978
83 HB2 PHE 11 HB2 PHE 11 -10.471 3.959 -0.570
84 HB3 PHE 11 HB3 PHE 11 -9.516 3.558 0.856
85 HD1 PHE 11 HD2 PHE 11 -9.958 6.008 -1.891
86 HD2 PHE 11 HD1 PHE 11 -7.936 5.117 1.793
87 HE1 PHE 11 HE2 PHE 11 -9.163 8.353 -1.760
88 HE2 PHE 11 HE1 PHE 11 -7.142 7.461 1.924
89 HZ PHE 11 HZ PHE 11 -7.755 9.079 0.148
90 H TRP 12 HN TRP 12 -7.545 1.154 0.283
91 HA TRP 12 HA TRP 12 -5.102 2.633 1.143
92 HB2 TRP 12 HB2 TRP 12 -6.482 0.110 2.106
93 HB3 TRP 12 HB3 TRP 12 -5.008 0.760 2.818
94 HD1 TRP 12 HD1 TRP 12 -8.448 0.704 3.591
95 HE1 TRP 12 HE1 TRP 12 -9.240 2.799 4.864
96 HE3 TRP 12 HE3 TRP 12 -4.531 3.845 2.650
97 HZ2 TRP 12 HZ2 TRP 12 -8.334 5.457 5.413
98 HZ3 TRP 12 HZ3 TRP 12 -4.522 6.150 3.559
99 HH2 TRP 12 HH2 TRP 12 -6.417 6.959 4.938
100 H PHE 13 HN PHE 13 -5.866 0.769 -1.432
101 HA PHE 13 HA PHE 13 -3.835 -1.291 -1.390
102 HB2 PHE 13 HB2 PHE 13 -5.822 -1.357 -2.842
103 HB3 PHE 13 HB3 PHE 13 -5.293 0.119 -3.651
104 HD1 PHE 13 HD1 PHE 13 -4.651 -3.486 -3.204
105 HD2 PHE 13 HD2 PHE 13 -3.423 0.105 -5.220
106 HE1 PHE 13 HE1 PHE 13 -3.277 -4.833 -4.769
107 HE2 PHE 13 HE2 PHE 13 -2.052 -1.244 -6.785
108 HZ PHE 13 HZ PHE 13 -1.978 -3.712 -6.558
109 H SER 14 HN SER 14 -3.993 1.921 -2.895
110 HA SER 14 HA SER 14 -1.322 1.943 -3.942
111 HB2 SER 14 HB2 SER 14 -1.760 4.471 -3.885
112 HB3 SER 14 HB3 SER 14 -2.945 3.508 -4.761
113 HG SER 14 HG SER 14 -3.983 4.939 -3.350
114 H LEU 15 HN LEU 15 -2.705 2.764 -0.830
115 HA LEU 15 HA LEU 15 -0.420 4.039 0.363
116 HB2 LEU 15 HB2 LEU 15 -3.053 3.457 1.019
117 HB3 LEU 15 HB3 LEU 15 -2.151 2.401 2.106
118 HG LEU 15 HG LEU 15 -2.525 4.550 3.195
119 HD11 LEU 15 HD11 LEU 15 -0.268 3.301 3.351
120 HD12 LEU 15 HD12 LEU 15 -0.303 4.982 3.883
121 HD13 LEU 15 HD13 LEU 15 0.358 4.571 2.300
122 HD21 LEU 15 HD21 LEU 15 -0.947 5.839 0.957
123 HD22 LEU 15 HD22 LEU 15 -1.841 6.637 2.250
124 HD23 LEU 15 HD23 LEU 15 -2.709 5.795 0.967
125 H LEU 16 HN LEU 16 -1.531 0.645 0.250
126 HA LEU 16 HA LEU 16 0.541 -0.485 1.872
127 HB2 LEU 16 HB2 LEU 16 -1.721 -1.431 1.005
128 HB3 LEU 16 HB3 LEU 16 -0.827 -1.837 -0.459
129 HG LEU 16 HG LEU 16 0.413 -2.638 2.131
130 HD11 LEU 16 HD11 LEU 16 -2.073 -3.177 2.298
131 HD12 LEU 16 HD12 LEU 16 -0.985 -4.559 2.427
132 HD13 LEU 16 HD13 LEU 16 -1.842 -4.252 0.918
133 HD21 LEU 16 HD21 LEU 16 1.611 -3.944 0.731
134 HD22 LEU 16 HD22 LEU 16 0.802 -3.131 -0.608
135 HD23 LEU 16 HD23 LEU 16 0.147 -4.637 0.035
136 H LEU 17 HN LEU 17 0.284 0.093 -1.602
137 HA LEU 17 HA LEU 17 2.738 -1.139 -2.411
138 HB2 LEU 17 HB2 LEU 17 0.659 -0.156 -3.710
139 HB3 LEU 17 HB3 LEU 17 1.610 1.330 -3.705
140 HG LEU 17 HG LEU 17 3.105 -1.103 -4.483
141 HD11 LEU 17 HD11 LEU 17 1.067 0.096 -6.381
142 HD12 LEU 17 HD12 LEU 17 0.832 -1.433 -5.532
143 HD13 LEU 17 HD13 LEU 17 2.146 -1.264 -6.695
144 HD21 LEU 17 HD21 LEU 17 2.845 1.449 -6.053
145 HD22 LEU 17 HD22 LEU 17 4.255 0.411 -5.842
146 HD23 LEU 17 HD23 LEU 17 3.727 1.460 -4.526
147 H LEU 18 HN LEU 18 1.942 2.066 -1.213
148 HA LEU 18 HA LEU 18 4.531 3.278 -1.613
149 HB2 LEU 18 HB2 LEU 18 2.066 4.177 -1.056
150 HB3 LEU 18 HB3 LEU 18 2.695 4.118 0.591
151 HG LEU 18 HG LEU 18 4.369 5.386 -1.552
152 HD11 LEU 18 HD11 LEU 18 2.028 6.322 -1.728
153 HD12 LEU 18 HD12 LEU 18 3.254 7.509 -1.281
154 HD13 LEU 18 HD13 LEU 18 2.179 6.847 -0.050
155 HD21 LEU 18 HD21 LEU 18 4.744 6.903 0.568
156 HD22 LEU 18 HD22 LEU 18 5.502 5.312 0.492
157 HD23 LEU 18 HD23 LEU 18 4.027 5.543 1.432
158 H ALA 19 HN ALA 19 3.021 1.497 1.036
159 HA ALA 19 HA ALA 19 5.025 1.933 3.046
160 HB1 ALA 19 HB1 ALA 19 3.372 -0.573 2.653
161 HB2 ALA 19 HB2 ALA 19 2.650 0.941 3.197
162 HB3 ALA 19 HB3 ALA 19 3.891 0.154 4.173
163 H ALA 20 HN ALA 20 4.669 -0.563 0.519
164 HA ALA 20 HA ALA 20 6.933 -2.173 1.251
165 HB1 ALA 20 HB1 ALA 20 6.706 -2.608 -1.379
166 HB2 ALA 20 HB2 ALA 20 5.210 -1.699 -1.156
167 HB3 ALA 20 HB3 ALA 20 5.481 -3.191 -0.253
168 H GLY 21 HN GLY 21 6.583 0.669 -0.877
169 HA2 GLY 21 HA2 GLY 21 9.271 0.666 -1.891
170 HA3 GLY 21 HA3 GLY 21 8.191 2.061 -1.870
171 H VAL 22 HN VAL 22 7.770 2.107 0.996
172 HA VAL 22 HA VAL 22 9.972 3.724 1.855
173 HB VAL 22 HB VAL 22 7.804 2.223 3.375
174 HG11 VAL 22 HG11 VAL 22 9.608 2.825 4.909
175 HG12 VAL 22 HG12 VAL 22 8.236 3.901 5.174
176 HG13 VAL 22 HG13 VAL 22 9.640 4.469 4.269
177 HG21 VAL 22 HG21 VAL 22 7.622 5.136 3.154
178 HG22 VAL 22 HG22 VAL 22 6.411 3.907 2.783
179 HG23 VAL 22 HG23 VAL 22 7.620 4.346 1.577
180 H GLY 23 HN GLY 23 9.180 0.289 2.453
181 HA2 GLY 23 HA2 GLY 23 11.359 -0.245 4.244
182 HA3 GLY 23 HA3 GLY 23 10.491 -1.463 3.306
183 H ILE 24 HN ILE 24 11.018 -0.628 0.701
184 HA ILE 24 HA ILE 24 13.703 -1.629 0.267
185 HB ILE 24 HB ILE 24 11.718 -0.179 -1.534
186 HG12 ILE 24 HG12 ILE 24 12.292 -3.135 -1.558
187 HG13 ILE 24 HG13 ILE 24 11.178 -2.477 -0.359
188 HG21 ILE 24 HG21 ILE 24 13.892 -0.062 -2.566
189 HG22 ILE 24 HG22 ILE 24 13.017 -1.372 -3.360
190 HG23 ILE 24 HG23 ILE 24 14.244 -1.740 -2.148
191 HD11 ILE 24 HD11 ILE 24 10.904 -2.587 -3.340
192 HD12 ILE 24 HD12 ILE 24 10.142 -1.254 -2.471
193 HD13 ILE 24 HD13 ILE 24 9.702 -2.920 -2.092
194 H TYR 25 HN TYR 25 12.289 1.638 0.435
195 HA TYR 25 HA TYR 25 14.486 3.113 -0.648
196 HB2 TYR 25 HB2 TYR 25 12.148 3.915 -0.081
197 HB3 TYR 25 HB3 TYR 25 12.634 3.923 1.616
198 HD1 TYR 25 HD1 TYR 25 13.224 5.447 -1.706
199 HD2 TYR 25 HD2 TYR 25 14.167 5.581 2.483
200 HE1 TYR 25 HE1 TYR 25 14.283 7.668 -2.015
201 HE2 TYR 25 HE2 TYR 25 15.223 7.803 2.174
202 HH TYR 25 HH TYR 25 16.336 8.971 -0.330
203 H LEU 26 HN LEU 26 14.071 1.478 2.422
204 HA LEU 26 HA LEU 26 16.258 2.890 3.783
205 HB2 LEU 26 HB2 LEU 26 14.578 0.424 4.337
206 HB3 LEU 26 HB3 LEU 26 15.828 0.991 5.443
207 HG LEU 26 HG LEU 26 13.791 2.965 4.483
208 HD11 LEU 26 HD11 LEU 26 13.230 1.209 6.869
209 HD12 LEU 26 HD12 LEU 26 12.669 0.752 5.261
210 HD13 LEU 26 HD13 LEU 26 12.122 2.262 5.988
211 HD21 LEU 26 HD21 LEU 26 15.088 2.508 7.189
212 HD22 LEU 26 HD22 LEU 26 14.205 3.942 6.664
213 HD23 LEU 26 HD23 LEU 26 15.764 3.553 5.938
214 H LEU 27 HN LEU 27 15.948 0.237 1.558
215 HA LEU 27 HA LEU 27 18.844 -0.421 1.934
216 HB2 LEU 27 HB2 LEU 27 17.074 -1.996 3.004
217 HB3 LEU 27 HB3 LEU 27 16.708 -2.476 1.346
218 HG LEU 27 HG LEU 27 19.402 -2.671 1.270
219 HD11 LEU 27 HD11 LEU 27 19.539 -1.988 3.685
220 HD12 LEU 27 HD12 LEU 27 20.256 -3.565 3.357
221 HD13 LEU 27 HD13 LEU 27 18.662 -3.460 4.103
222 HD21 LEU 27 HD21 LEU 27 19.104 -5.068 1.544
223 HD22 LEU 27 HD22 LEU 27 17.678 -4.422 0.733
224 HD23 LEU 27 HD23 LEU 27 17.611 -4.818 2.450
225 HA PRO 28 HA PRO 28 17.543 -0.143 -2.562
226 HB2 PRO 28 HB2 PRO 28 17.926 2.500 -3.158
227 HB3 PRO 28 HB3 PRO 28 16.389 1.851 -2.561
228 HG2 PRO 28 HG2 PRO 28 18.307 3.571 -1.209
229 HG3 PRO 28 HG3 PRO 28 16.634 3.198 -0.785
230 HD2 PRO 28 HD2 PRO 28 19.068 2.094 0.327
231 HD3 PRO 28 HD3 PRO 28 17.398 1.863 0.858
232 H ASN 29 HN ASN 29 20.256 1.183 -0.786
233 HA ASN 29 HA ASN 29 22.024 1.273 -3.158
234 HB2 ASN 29 HB2 ASN 29 21.959 2.901 -1.166
235 HB3 ASN 29 HB3 ASN 29 22.732 1.618 -0.234
236 HD21 ASN 29 HD21 ASN 29 24.913 0.885 -0.986
237 HD22 ASN 29 HD22 ASN 29 25.874 1.931 -1.915
238 H ARG 30 HN ARG 30 21.562 -0.695 -0.216
239 HA ARG 30 HA ARG 30 23.805 -2.484 -0.959
240 HB2 ARG 30 HB2 ARG 30 23.275 -1.650 1.384
241 HB3 ARG 30 HB3 ARG 30 21.828 -2.656 1.335
242 HG2 ARG 30 HG2 ARG 30 23.366 -4.089 2.354
243 HG3 ARG 30 HG3 ARG 30 23.500 -4.562 0.660
244 HD2 ARG 30 HD2 ARG 30 25.410 -2.856 0.476
245 HD3 ARG 30 HD3 ARG 30 25.384 -2.801 2.251
246 HE ARG 30 HE ARG 30 25.988 -5.228 0.622
247 HH11 ARG 30 HH11 ARG 30 24.628 -5.996 3.135
248 HH12 ARG 30 HH12 ARG 30 25.940 -6.144 4.256
249 HH21 ARG 30 HH21 ARG 30 28.172 -4.358 2.277
250 HH22 ARG 30 HH22 ARG 30 27.956 -5.212 3.769
Start of MODEL 19
1 HA HIS 1 HA HIS 1 -21.622 12.130 -1.258
2 HB2 HIS 1 HB2 HIS 1 -22.387 14.943 -1.984
3 HB3 HIS 1 HB3 HIS 1 -22.472 13.697 -3.229
4 HD1 HIS 1 HD1 HIS 1 -24.347 15.079 -0.431
5 HD2 HIS 1 HD2 HIS 1 -24.150 11.380 -2.344
6 HE1 HIS 1 HE1 HIS 1 -26.427 13.807 0.253
7 H SER 2 HN SER 2 -20.289 11.171 -2.760
8 HA SER 2 HA SER 2 -18.413 10.830 -4.152
9 HB2 SER 2 HB2 SER 2 -19.079 13.710 -4.847
10 HB3 SER 2 HB3 SER 2 -18.138 12.604 -5.843
11 HG SER 2 HG SER 2 -20.095 12.264 -6.630
12 H VAL 3 HN VAL 3 -17.793 11.645 -1.440
13 HA VAL 3 HA VAL 3 -15.348 13.331 -1.873
14 HB VAL 3 HB VAL 3 -17.295 14.133 -0.415
15 HG11 VAL 3 HG11 VAL 3 -17.515 11.765 0.623
16 HG12 VAL 3 HG12 VAL 3 -17.675 13.155 1.697
17 HG13 VAL 3 HG13 VAL 3 -16.163 12.247 1.648
18 HG21 VAL 3 HG21 VAL 3 -15.262 14.251 1.565
19 HG22 VAL 3 HG22 VAL 3 -15.650 15.468 0.348
20 HG23 VAL 3 HG23 VAL 3 -14.448 14.226 0.001
21 H SER 4 HN SER 4 -15.806 10.275 -2.047
22 HA SER 4 HA SER 4 -13.934 9.383 0.103
23 HB2 SER 4 HB2 SER 4 -16.145 8.272 -0.155
24 HB3 SER 4 HB3 SER 4 -15.711 7.839 -1.807
25 HG SER 4 HG SER 4 -14.563 6.970 0.630
26 H HIS 5 HN HIS 5 -14.019 10.121 -3.233
27 HA HIS 5 HA HIS 5 -11.832 8.270 -3.974
28 HB2 HIS 5 HB2 HIS 5 -13.995 9.363 -5.260
29 HB3 HIS 5 HB3 HIS 5 -12.693 10.410 -5.822
30 HD1 HIS 5 HD1 HIS 5 -10.637 9.195 -7.012
31 HD2 HIS 5 HD2 HIS 5 -13.980 6.790 -6.364
32 HE1 HIS 5 HE1 HIS 5 -10.337 7.142 -8.466
33 H ALA 6 HN ALA 6 -11.270 10.376 -1.944
34 HA ALA 6 HA ALA 6 -9.168 11.901 -3.452
35 HB1 ALA 6 HB1 ALA 6 -10.985 13.376 -2.832
36 HB2 ALA 6 HB2 ALA 6 -9.635 13.711 -1.749
37 HB3 ALA 6 HB3 ALA 6 -10.998 12.745 -1.185
38 H ARG 7 HN ARG 7 -9.171 9.301 -1.746
39 HA ARG 7 HA ARG 7 -6.754 9.988 -0.175
40 HB2 ARG 7 HB2 ARG 7 -9.454 9.465 0.908
41 HB3 ARG 7 HB3 ARG 7 -8.175 8.517 1.663
42 HG2 ARG 7 HG2 ARG 7 -6.880 10.719 1.888
43 HG3 ARG 7 HG3 ARG 7 -8.396 11.525 1.483
44 HD2 ARG 7 HD2 ARG 7 -9.377 9.956 3.386
45 HD3 ARG 7 HD3 ARG 7 -7.692 9.954 3.941
46 HE ARG 7 HE ARG 7 -9.473 12.301 3.847
47 HH11 ARG 7 HH11 ARG 7 -7.482 11.438 6.039
48 HH12 ARG 7 HH12 ARG 7 -6.284 12.679 5.888
49 HH21 ARG 7 HH21 ARG 7 -7.410 13.751 2.777
50 HH22 ARG 7 HH22 ARG 7 -6.244 13.997 4.034
51 HA PRO 8 HA PRO 8 -5.835 5.893 -1.627
52 HB2 PRO 8 HB2 PRO 8 -3.581 5.433 -0.140
53 HB3 PRO 8 HB3 PRO 8 -3.604 6.510 -1.551
54 HG2 PRO 8 HG2 PRO 8 -3.654 7.182 1.342
55 HG3 PRO 8 HG3 PRO 8 -2.860 8.019 -0.000
56 HD2 PRO 8 HD2 PRO 8 -5.216 8.833 1.150
57 HD3 PRO 8 HD3 PRO 8 -4.721 9.233 -0.507
58 H ARG 9 HN ARG 9 -7.819 5.067 -0.498
59 HA ARG 9 HA ARG 9 -7.091 3.451 1.932
60 HB2 ARG 9 HB2 ARG 9 -9.108 5.574 1.517
61 HB3 ARG 9 HB3 ARG 9 -9.737 4.122 2.295
62 HG2 ARG 9 HG2 ARG 9 -8.725 4.657 4.221
63 HG3 ARG 9 HG3 ARG 9 -7.165 4.777 3.414
64 HD2 ARG 9 HD2 ARG 9 -8.627 7.083 2.639
65 HD3 ARG 9 HD3 ARG 9 -8.826 6.919 4.395
66 HE ARG 9 HE ARG 9 -6.142 6.843 3.056
67 HH11 ARG 9 HH21 ARG 9 -7.260 6.269 6.058
68 HH12 ARG 9 HH22 ARG 9 -6.483 7.596 6.853
69 HH21 ARG 9 HH11 ARG 9 -5.574 9.180 3.895
70 HH22 ARG 9 HH12 ARG 9 -5.525 9.249 5.624
71 H TRP 10 HN TRP 10 -8.018 3.177 -1.229
72 HA TRP 10 HA TRP 10 -10.258 1.348 -1.126
73 HB2 TRP 10 HB2 TRP 10 -9.430 2.540 -3.165
74 HB3 TRP 10 HB3 TRP 10 -7.947 1.587 -3.095
75 HD1 TRP 10 HD1 TRP 10 -7.965 -0.662 -4.295
76 HE1 TRP 10 HE1 TRP 10 -9.769 -2.153 -5.372
77 HE3 TRP 10 HE3 TRP 10 -12.166 1.869 -2.868
78 HZ2 TRP 10 HZ2 TRP 10 -12.620 -2.260 -5.599
79 HZ3 TRP 10 HZ3 TRP 10 -14.410 1.050 -3.528
80 HH2 TRP 10 HH2 TRP 10 -14.642 -1.008 -4.891
81 H PHE 11 HN PHE 11 -9.708 -0.024 0.707
82 HA PHE 11 HA PHE 11 -8.721 -1.910 1.744
83 HB2 PHE 11 HB2 PHE 11 -8.949 -2.417 -1.024
84 HB3 PHE 11 HB3 PHE 11 -7.291 -2.865 -0.623
85 HD1 PHE 11 HD2 PHE 11 -6.861 -4.514 1.230
86 HD2 PHE 11 HD1 PHE 11 -10.804 -3.725 -0.282
87 HE1 PHE 11 HE2 PHE 11 -7.679 -6.613 2.267
88 HE2 PHE 11 HE1 PHE 11 -11.622 -5.824 0.754
89 HZ PHE 11 HZ PHE 11 -10.059 -7.268 2.029
90 H TRP 12 HN TRP 12 -7.377 0.764 1.236
91 HA TRP 12 HA TRP 12 -5.295 1.826 1.370
92 HB2 TRP 12 HB2 TRP 12 -5.308 -0.523 3.229
93 HB3 TRP 12 HB3 TRP 12 -3.846 0.450 3.089
94 HD1 TRP 12 HD1 TRP 12 -4.274 3.198 3.393
95 HE1 TRP 12 HE1 TRP 12 -5.799 4.383 5.097
96 HE3 TRP 12 HE3 TRP 12 -7.372 -0.665 4.631
97 HZ2 TRP 12 HZ2 TRP 12 -8.043 3.773 6.764
98 HZ3 TRP 12 HZ3 TRP 12 -9.196 -0.335 6.276
99 HH2 TRP 12 HH2 TRP 12 -9.536 1.877 7.342
100 H PHE 13 HN PHE 13 -5.633 0.163 -0.905
101 HA PHE 13 HA PHE 13 -3.417 -1.587 -1.410
102 HB2 PHE 13 HB2 PHE 13 -5.601 -1.511 -2.619
103 HB3 PHE 13 HB3 PHE 13 -5.151 0.060 -3.282
104 HD1 PHE 13 HD2 PHE 13 -3.976 -3.487 -3.057
105 HD2 PHE 13 HD1 PHE 13 -3.893 0.197 -5.266
106 HE1 PHE 13 HE2 PHE 13 -2.738 -4.613 -4.888
107 HE2 PHE 13 HE1 PHE 13 -2.653 -0.929 -7.097
108 HZ PHE 13 HZ PHE 13 -2.075 -3.333 -6.907
109 H SER 14 HN SER 14 -4.031 1.715 -2.598
110 HA SER 14 HA SER 14 -1.423 2.181 -3.662
111 HB2 SER 14 HB2 SER 14 -3.588 3.995 -2.570
112 HB3 SER 14 HB3 SER 14 -2.149 4.611 -3.380
113 HG SER 14 HG SER 14 -4.298 3.951 -4.562
114 H LEU 15 HN LEU 15 -2.771 2.555 -0.440
115 HA LEU 15 HA LEU 15 -0.571 3.961 0.779
116 HB2 LEU 15 HB2 LEU 15 -3.061 3.351 1.521
117 HB3 LEU 15 HB3 LEU 15 -2.273 1.943 2.229
118 HG LEU 15 HG LEU 15 -2.488 3.867 3.820
119 HD11 LEU 15 HD11 LEU 15 -0.540 2.104 3.714
120 HD12 LEU 15 HD12 LEU 15 -0.406 3.489 4.797
121 HD13 LEU 15 HD13 LEU 15 0.435 3.496 3.247
122 HD21 LEU 15 HD21 LEU 15 -0.309 5.251 2.283
123 HD22 LEU 15 HD22 LEU 15 -1.453 5.924 3.444
124 HD23 LEU 15 HD23 LEU 15 -1.990 5.511 1.817
125 H LEU 16 HN LEU 16 -1.396 0.498 0.452
126 HA LEU 16 HA LEU 16 0.936 -0.523 1.805
127 HB2 LEU 16 HB2 LEU 16 -1.397 -1.563 1.029
128 HB3 LEU 16 HB3 LEU 16 -0.463 -2.000 -0.400
129 HG LEU 16 HG LEU 16 0.662 -2.587 2.323
130 HD11 LEU 16 HD11 LEU 16 -1.270 -4.391 0.837
131 HD12 LEU 16 HD12 LEU 16 -1.695 -3.451 2.268
132 HD13 LEU 16 HD13 LEU 16 -0.483 -4.728 2.379
133 HD21 LEU 16 HD21 LEU 16 1.346 -4.659 0.807
134 HD22 LEU 16 HD22 LEU 16 2.221 -3.132 0.689
135 HD23 LEU 16 HD23 LEU 16 0.985 -3.535 -0.503
136 H LEU 17 HN LEU 17 0.184 0.235 -1.551
137 HA LEU 17 HA LEU 17 2.570 -0.777 -2.770
138 HB2 LEU 17 HB2 LEU 17 0.232 0.792 -3.428
139 HB3 LEU 17 HB3 LEU 17 1.658 1.527 -4.157
140 HG LEU 17 HG LEU 17 2.267 -0.815 -4.989
141 HD11 LEU 17 HD11 LEU 17 0.607 -2.511 -4.995
142 HD12 LEU 17 HD12 LEU 17 -0.662 -1.385 -4.512
143 HD13 LEU 17 HD13 LEU 17 0.575 -1.871 -3.352
144 HD21 LEU 17 HD21 LEU 17 0.358 -0.694 -6.772
145 HD22 LEU 17 HD22 LEU 17 1.484 0.658 -6.647
146 HD23 LEU 17 HD23 LEU 17 -0.119 0.774 -5.919
147 H LEU 18 HN LEU 18 1.753 2.293 -1.264
148 HA LEU 18 HA LEU 18 4.249 3.637 -1.887
149 HB2 LEU 18 HB2 LEU 18 1.823 4.466 -1.158
150 HB3 LEU 18 HB3 LEU 18 2.519 4.342 0.458
151 HG LEU 18 HG LEU 18 4.078 5.751 -1.685
152 HD11 LEU 18 HD11 LEU 18 1.803 6.968 -0.086
153 HD12 LEU 18 HD12 LEU 18 1.823 6.726 -1.834
154 HD13 LEU 18 HD13 LEU 18 2.941 7.868 -1.088
155 HD21 LEU 18 HD21 LEU 18 5.296 5.603 0.307
156 HD22 LEU 18 HD22 LEU 18 3.857 5.754 1.315
157 HD23 LEU 18 HD23 LEU 18 4.509 7.170 0.492
158 H ALA 19 HN ALA 19 3.014 1.738 0.815
159 HA ALA 19 HA ALA 19 5.141 2.212 2.687
160 HB1 ALA 19 HB1 ALA 19 3.401 -0.246 2.284
161 HB2 ALA 19 HB2 ALA 19 2.894 1.204 3.150
162 HB3 ALA 19 HB3 ALA 19 4.216 0.220 3.776
163 H ALA 20 HN ALA 20 4.714 -0.207 0.097
164 HA ALA 20 HA ALA 20 7.015 -1.817 0.651
165 HB1 ALA 20 HB1 ALA 20 5.222 -2.494 -0.855
166 HB2 ALA 20 HB2 ALA 20 6.723 -2.423 -1.779
167 HB3 ALA 20 HB3 ALA 20 5.542 -1.119 -1.912
168 H GLY 21 HN GLY 21 6.595 1.118 -1.348
169 HA2 GLY 21 HA2 GLY 21 9.267 1.195 -2.392
170 HA3 GLY 21 HA3 GLY 21 8.177 2.577 -2.285
171 H VAL 22 HN VAL 22 7.800 2.508 0.572
172 HA VAL 22 HA VAL 22 10.038 4.067 1.466
173 HB VAL 22 HB VAL 22 7.859 2.581 2.983
174 HG11 VAL 22 HG11 VAL 22 8.291 4.264 4.763
175 HG12 VAL 22 HG12 VAL 22 9.662 4.870 3.834
176 HG13 VAL 22 HG13 VAL 22 9.691 3.229 4.480
177 HG21 VAL 22 HG21 VAL 22 6.447 4.255 2.398
178 HG22 VAL 22 HG22 VAL 22 7.627 4.661 1.152
179 HG23 VAL 22 HG23 VAL 22 7.663 5.492 2.707
180 H GLY 23 HN GLY 23 9.161 0.638 1.975
181 HA2 GLY 23 HA2 GLY 23 11.295 0.007 3.782
182 HA3 GLY 23 HA3 GLY 23 10.419 -1.164 2.798
183 H ILE 24 HN ILE 24 11.047 -0.136 0.223
184 HA ILE 24 HA ILE 24 13.655 -1.301 -0.219
185 HB ILE 24 HB ILE 24 11.795 0.423 -1.899
186 HG12 ILE 24 HG12 ILE 24 10.900 -1.781 -1.239
187 HG13 ILE 24 HG13 ILE 24 11.238 -1.739 -2.967
188 HG21 ILE 24 HG21 ILE 24 13.931 0.690 -2.917
189 HG22 ILE 24 HG22 ILE 24 13.147 -0.600 -3.828
190 HG23 ILE 24 HG23 ILE 24 14.369 -0.993 -2.619
191 HD11 ILE 24 HD11 ILE 24 12.164 -3.796 -2.290
192 HD12 ILE 24 HD12 ILE 24 12.783 -3.125 -0.781
193 HD13 ILE 24 HD13 ILE 24 13.559 -2.716 -2.312
194 H TYR 25 HN TYR 25 12.509 2.074 0.112
195 HA TYR 25 HA TYR 25 14.977 3.343 -0.656
196 HB2 TYR 25 HB2 TYR 25 12.530 4.239 -0.217
197 HB3 TYR 25 HB3 TYR 25 13.126 4.466 1.429
198 HD1 TYR 25 HD1 TYR 25 15.111 5.924 1.857
199 HD2 TYR 25 HD2 TYR 25 13.301 5.624 -2.027
200 HE1 TYR 25 HE1 TYR 25 16.279 7.994 1.152
201 HE2 TYR 25 HE2 TYR 25 14.468 7.695 -2.731
202 HH TYR 25 HH TYR 25 15.536 9.878 -1.013
203 H LEU 26 HN LEU 26 13.894 1.778 2.294
204 HA LEU 26 HA LEU 26 16.027 2.851 3.993
205 HB2 LEU 26 HB2 LEU 26 13.692 1.060 4.150
206 HB3 LEU 26 HB3 LEU 26 15.044 0.515 5.138
207 HG LEU 26 HG LEU 26 13.588 1.999 6.442
208 HD11 LEU 26 HD11 LEU 26 15.992 3.688 5.834
209 HD12 LEU 26 HD12 LEU 26 16.224 2.069 6.493
210 HD13 LEU 26 HD13 LEU 26 15.292 3.263 7.396
211 HD21 LEU 26 HD21 LEU 26 13.434 4.414 5.767
212 HD22 LEU 26 HD22 LEU 26 12.611 3.323 4.654
213 HD23 LEU 26 HD23 LEU 26 14.188 3.988 4.230
214 H LEU 27 HN LEU 27 15.576 0.176 1.777
215 HA LEU 27 HA LEU 27 18.360 -0.771 2.348
216 HB2 LEU 27 HB2 LEU 27 16.242 -2.089 3.233
217 HB3 LEU 27 HB3 LEU 27 16.134 -2.631 1.558
218 HG LEU 27 HG LEU 27 18.739 -3.082 1.913
219 HD11 LEU 27 HD11 LEU 27 18.542 -2.119 4.277
220 HD12 LEU 27 HD12 LEU 27 19.320 -3.697 4.146
221 HD13 LEU 27 HD13 LEU 27 17.645 -3.581 4.690
222 HD21 LEU 27 HD21 LEU 27 16.627 -4.925 3.076
223 HD22 LEU 27 HD22 LEU 27 18.187 -5.399 2.402
224 HD23 LEU 27 HD23 LEU 27 16.935 -4.740 1.349
225 HA PRO 28 HA PRO 28 17.470 -0.356 -2.220
226 HB2 PRO 28 HB2 PRO 28 18.387 2.168 -2.758
227 HB3 PRO 28 HB3 PRO 28 16.715 1.818 -2.282
228 HG2 PRO 28 HG2 PRO 28 18.809 3.159 -0.775
229 HG3 PRO 28 HG3 PRO 28 17.073 3.091 -0.472
230 HD2 PRO 28 HD2 PRO 28 19.189 1.559 0.784
231 HD3 PRO 28 HD3 PRO 28 17.474 1.646 1.208
232 H ASN 29 HN ASN 29 20.249 0.416 -0.241
233 HA ASN 29 HA ASN 29 22.111 -0.103 -2.526
234 HB2 ASN 29 HB2 ASN 29 23.774 0.963 -1.062
235 HB3 ASN 29 HB3 ASN 29 22.348 1.989 -1.196
236 HD21 ASN 29 HD21 ASN 29 21.136 2.407 0.729
237 HD22 ASN 29 HD22 ASN 29 21.566 1.787 2.249
238 H ARG 30 HN ARG 30 20.556 -1.923 -0.270
239 HA ARG 30 HA ARG 30 22.768 -3.913 -0.167
240 HB2 ARG 30 HB2 ARG 30 21.760 -2.265 2.011
241 HB3 ARG 30 HB3 ARG 30 21.545 -3.979 2.365
242 HG2 ARG 30 HG2 ARG 30 24.166 -2.977 1.274
243 HG3 ARG 30 HG3 ARG 30 23.812 -2.844 2.997
244 HD2 ARG 30 HD2 ARG 30 23.596 -5.214 3.242
245 HD3 ARG 30 HD3 ARG 30 23.538 -5.460 1.486
246 HE ARG 30 HE ARG 30 25.915 -4.610 1.425
247 HH11 ARG 30 HH11 ARG 30 26.119 -3.565 4.198
248 HH12 ARG 30 HH12 ARG 30 26.935 -4.847 5.029
249 HH21 ARG 30 HH21 ARG 30 26.284 -7.209 2.563
250 HH22 ARG 30 HH22 ARG 30 27.028 -6.919 4.098
Start of MODEL 20
1 HA HIS 1 HA HIS 1 -13.438 -18.295 5.924
2 HB2 HIS 1 HB2 HIS 1 -12.569 -17.790 8.754
3 HB3 HIS 1 HB3 HIS 1 -14.196 -18.407 8.474
4 HD1 HIS 1 HD1 HIS 1 -10.883 -19.597 9.039
5 HD2 HIS 1 HD2 HIS 1 -14.002 -20.812 6.552
6 HE1 HIS 1 HE1 HIS 1 -10.386 -21.992 8.383
7 H SER 2 HN SER 2 -15.453 -17.492 5.428
8 HA SER 2 HA SER 2 -17.217 -15.941 5.187
9 HB2 SER 2 HB2 SER 2 -17.212 -16.784 7.648
10 HB3 SER 2 HB3 SER 2 -16.577 -15.188 8.041
11 HG SER 2 HG SER 2 -18.464 -14.334 7.604
12 H VAL 3 HN VAL 3 -14.782 -14.913 4.213
13 HA VAL 3 HA VAL 3 -13.717 -12.888 3.638
14 HB VAL 3 HB VAL 3 -16.303 -11.679 4.672
15 HG11 VAL 3 HG11 VAL 3 -14.065 -10.519 3.509
16 HG12 VAL 3 HG12 VAL 3 -15.679 -9.812 3.557
17 HG13 VAL 3 HG13 VAL 3 -15.162 -10.733 2.145
18 HG21 VAL 3 HG21 VAL 3 -15.716 -13.197 2.116
19 HG22 VAL 3 HG22 VAL 3 -17.064 -12.069 2.254
20 HG23 VAL 3 HG23 VAL 3 -17.003 -13.499 3.284
21 H SER 4 HN SER 4 -13.375 -13.900 6.439
22 HA SER 4 HA SER 4 -12.988 -11.320 7.904
23 HB2 SER 4 HB2 SER 4 -14.415 -13.366 8.720
24 HB3 SER 4 HB3 SER 4 -12.847 -14.067 9.114
25 HG SER 4 HG SER 4 -12.553 -12.582 10.632
26 H HIS 5 HN HIS 5 -11.307 -13.891 6.365
27 HA HIS 5 HA HIS 5 -8.721 -12.868 7.471
28 HB2 HIS 5 HB2 HIS 5 -9.773 -15.689 7.249
29 HB3 HIS 5 HB3 HIS 5 -8.044 -15.365 7.350
30 HD1 HIS 5 HD1 HIS 5 -10.690 -16.230 9.501
31 HD2 HIS 5 HD2 HIS 5 -7.675 -13.362 9.738
32 HE1 HIS 5 HE1 HIS 5 -10.485 -15.608 11.947
33 H ALA 6 HN ALA 6 -9.341 -11.802 5.169
34 HA ALA 6 HA ALA 6 -7.911 -13.414 3.091
35 HB1 ALA 6 HB1 ALA 6 -9.580 -12.287 1.494
36 HB2 ALA 6 HB2 ALA 6 -10.488 -11.846 2.940
37 HB3 ALA 6 HB3 ALA 6 -10.228 -13.545 2.546
38 H ARG 7 HN ARG 7 -9.311 -10.195 2.811
39 HA ARG 7 HA ARG 7 -6.625 -8.930 2.982
40 HB2 ARG 7 HB2 ARG 7 -6.989 -7.896 0.738
41 HB3 ARG 7 HB3 ARG 7 -6.897 -9.653 0.653
42 HG2 ARG 7 HG2 ARG 7 -9.566 -9.370 1.002
43 HG3 ARG 7 HG3 ARG 7 -9.217 -7.851 0.176
44 HD2 ARG 7 HD2 ARG 7 -7.755 -9.695 -1.300
45 HD3 ARG 7 HD3 ARG 7 -9.242 -10.579 -0.905
46 HE ARG 7 HE ARG 7 -10.527 -8.697 -1.876
47 HH11 ARG 7 HH21 ARG 7 -8.315 -6.636 -1.682
48 HH12 ARG 7 HH22 ARG 7 -7.824 -6.495 -3.336
49 HH21 ARG 7 HH11 ARG 7 -9.385 -9.440 -4.323
50 HH22 ARG 7 HH12 ARG 7 -8.433 -8.088 -4.838
51 HA PRO 8 HA PRO 8 -9.921 -6.386 4.933
52 HB2 PRO 8 HB2 PRO 8 -8.304 -5.400 6.912
53 HB3 PRO 8 HB3 PRO 8 -9.148 -6.957 7.030
54 HG2 PRO 8 HG2 PRO 8 -6.308 -6.393 6.317
55 HG3 PRO 8 HG3 PRO 8 -6.983 -7.678 7.334
56 HD2 PRO 8 HD2 PRO 8 -6.198 -8.091 4.772
57 HD3 PRO 8 HD3 PRO 8 -7.521 -9.003 5.535
58 H ARG 9 HN ARG 9 -6.916 -5.682 3.402
59 HA ARG 9 HA ARG 9 -6.860 -2.814 3.806
60 HB2 ARG 9 HB2 ARG 9 -5.573 -4.827 1.973
61 HB3 ARG 9 HB3 ARG 9 -5.360 -3.104 1.661
62 HG2 ARG 9 HG2 ARG 9 -4.633 -2.866 4.084
63 HG3 ARG 9 HG3 ARG 9 -4.601 -4.628 4.163
64 HD2 ARG 9 HD2 ARG 9 -3.191 -3.619 1.802
65 HD3 ARG 9 HD3 ARG 9 -2.491 -3.017 3.317
66 HE ARG 9 HE ARG 9 -2.491 -5.797 2.439
67 HH11 ARG 9 HH21 ARG 9 -0.538 -4.208 4.267
68 HH12 ARG 9 HH22 ARG 9 -0.721 -5.090 5.746
69 HH21 ARG 9 HH11 ARG 9 -3.622 -6.713 4.726
70 HH22 ARG 9 HH12 ARG 9 -2.471 -6.514 6.006
71 H TRP 10 HN TRP 10 -7.463 -4.592 0.740
72 HA TRP 10 HA TRP 10 -8.844 -4.076 -1.094
73 HB2 TRP 10 HB2 TRP 10 -10.329 -3.477 1.392
74 HB3 TRP 10 HB3 TRP 10 -10.971 -2.678 -0.043
75 HD1 TRP 10 HD1 TRP 10 -10.779 -4.661 -2.278
76 HE1 TRP 10 HE1 TRP 10 -11.951 -6.957 -2.235
77 HE3 TRP 10 HE3 TRP 10 -11.431 -5.226 2.756
78 HZ2 TRP 10 HZ2 TRP 10 -13.022 -8.791 -0.319
79 HZ3 TRP 10 HZ3 TRP 10 -12.530 -7.255 3.662
80 HH2 TRP 10 HH2 TRP 10 -13.325 -9.036 2.131
81 H PHE 11 HN PHE 11 -9.779 -1.147 0.689
82 HA PHE 11 HA PHE 11 -8.990 0.570 -1.535
83 HB2 PHE 11 HB2 PHE 11 -10.899 0.733 0.277
84 HB3 PHE 11 HB3 PHE 11 -9.649 1.514 1.245
85 HD1 PHE 11 HD2 PHE 11 -11.671 1.737 -1.839
86 HD2 PHE 11 HD1 PHE 11 -8.760 3.692 0.642
87 HE1 PHE 11 HE2 PHE 11 -12.028 3.852 -3.086
88 HE2 PHE 11 HE1 PHE 11 -9.117 5.805 -0.603
89 HZ PHE 11 HZ PHE 11 -10.752 5.886 -2.467
90 H TRP 12 HN TRP 12 -7.402 -0.629 1.322
91 HA TRP 12 HA TRP 12 -5.442 1.558 1.498
92 HB2 TRP 12 HB2 TRP 12 -5.816 -1.136 2.830
93 HB3 TRP 12 HB3 TRP 12 -4.468 -0.068 3.210
94 HD1 TRP 12 HD1 TRP 12 -8.320 -0.123 3.284
95 HE1 TRP 12 HE1 TRP 12 -9.123 1.524 5.095
96 HE3 TRP 12 HE3 TRP 12 -3.847 1.912 4.672
97 HZ2 TRP 12 HZ2 TRP 12 -8.015 3.448 6.897
98 HZ3 TRP 12 HZ3 TRP 12 -3.750 3.647 6.437
99 HH2 TRP 12 HH2 TRP 12 -5.827 4.418 7.550
100 H PHE 13 HN PHE 13 -5.734 -0.431 -0.955
101 HA PHE 13 HA PHE 13 -3.267 -1.917 -1.077
102 HB2 PHE 13 HB2 PHE 13 -5.380 -2.261 -2.430
103 HB3 PHE 13 HB3 PHE 13 -4.951 -0.813 -3.341
104 HD1 PHE 13 HD1 PHE 13 -3.820 -4.242 -2.447
105 HD2 PHE 13 HD2 PHE 13 -3.268 -0.857 -5.032
106 HE1 PHE 13 HE1 PHE 13 -2.310 -5.586 -3.884
107 HE2 PHE 13 HE2 PHE 13 -1.759 -2.201 -6.470
108 HZ PHE 13 HZ PHE 13 -1.280 -4.566 -5.896
109 H SER 14 HN SER 14 -4.251 1.279 -2.226
110 HA SER 14 HA SER 14 -1.819 1.997 -3.558
111 HB2 SER 14 HB2 SER 14 -3.925 3.651 -2.132
112 HB3 SER 14 HB3 SER 14 -2.709 4.317 -3.217
113 HG SER 14 HG SER 14 -3.898 3.696 -4.828
114 H LEU 15 HN LEU 15 -2.883 2.240 -0.216
115 HA LEU 15 HA LEU 15 -0.699 3.782 0.836
116 HB2 LEU 15 HB2 LEU 15 -2.906 3.300 1.932
117 HB3 LEU 15 HB3 LEU 15 -2.399 1.624 2.144
118 HG LEU 15 HG LEU 15 -0.353 3.434 3.116
119 HD11 LEU 15 HD11 LEU 15 -1.935 3.999 5.177
120 HD12 LEU 15 HD12 LEU 15 -3.190 3.919 3.940
121 HD13 LEU 15 HD13 LEU 15 -1.860 5.065 3.774
122 HD21 LEU 15 HD21 LEU 15 -0.674 2.063 5.166
123 HD22 LEU 15 HD22 LEU 15 -0.541 1.061 3.721
124 HD23 LEU 15 HD23 LEU 15 -2.121 1.353 4.448
125 H LEU 16 HN LEU 16 -1.217 0.264 0.452
126 HA LEU 16 HA LEU 16 1.208 -0.618 1.691
127 HB2 LEU 16 HB2 LEU 16 -0.909 -1.906 0.983
128 HB3 LEU 16 HB3 LEU 16 -0.217 -1.920 -0.638
129 HG LEU 16 HG LEU 16 1.693 -2.745 1.435
130 HD11 LEU 16 HD11 LEU 16 -0.595 -4.629 0.837
131 HD12 LEU 16 HD12 LEU 16 -0.573 -3.611 2.276
132 HD13 LEU 16 HD13 LEU 16 0.688 -4.819 2.032
133 HD21 LEU 16 HD21 LEU 16 1.833 -2.936 -1.127
134 HD22 LEU 16 HD22 LEU 16 0.691 -4.272 -0.978
135 HD23 LEU 16 HD23 LEU 16 2.273 -4.375 -0.206
136 H LEU 17 HN LEU 17 0.444 0.342 -1.617
137 HA LEU 17 HA LEU 17 2.928 -0.357 -2.852
138 HB2 LEU 17 HB2 LEU 17 0.600 0.437 -3.781
139 HB3 LEU 17 HB3 LEU 17 1.289 2.051 -3.610
140 HG LEU 17 HG LEU 17 3.006 0.020 -4.945
141 HD11 LEU 17 HD11 LEU 17 0.694 1.323 -6.407
142 HD12 LEU 17 HD12 LEU 17 0.674 -0.353 -5.856
143 HD13 LEU 17 HD13 LEU 17 1.856 0.167 -7.058
144 HD21 LEU 17 HD21 LEU 17 3.857 1.895 -6.052
145 HD22 LEU 17 HD22 LEU 17 3.363 2.596 -4.511
146 HD23 LEU 17 HD23 LEU 17 2.336 2.780 -5.934
147 H LEU 18 HN LEU 18 1.856 2.481 -1.081
148 HA LEU 18 HA LEU 18 4.197 4.110 -1.562
149 HB2 LEU 18 HB2 LEU 18 1.762 4.670 -0.751
150 HB3 LEU 18 HB3 LEU 18 2.409 4.309 0.850
151 HG LEU 18 HG LEU 18 4.354 5.944 -0.300
152 HD11 LEU 18 HD11 LEU 18 2.949 7.952 -0.971
153 HD12 LEU 18 HD12 LEU 18 1.566 6.861 -1.049
154 HD13 LEU 18 HD13 LEU 18 2.943 6.618 -2.125
155 HD21 LEU 18 HD21 LEU 18 2.730 7.637 1.210
156 HD22 LEU 18 HD22 LEU 18 4.033 6.628 1.834
157 HD23 LEU 18 HD23 LEU 18 2.373 6.033 1.850
158 H ALA 19 HN ALA 19 3.248 1.783 0.905
159 HA ALA 19 HA ALA 19 5.447 2.271 2.727
160 HB1 ALA 19 HB1 ALA 19 3.132 1.048 2.982
161 HB2 ALA 19 HB2 ALA 19 4.521 0.447 3.886
162 HB3 ALA 19 HB3 ALA 19 4.019 -0.362 2.402
163 H ALA 20 HN ALA 20 4.941 0.069 -0.023
164 HA ALA 20 HA ALA 20 7.290 -1.539 0.283
165 HB1 ALA 20 HB1 ALA 20 6.890 -1.713 -2.304
166 HB2 ALA 20 HB2 ALA 20 5.469 -0.723 -1.976
167 HB3 ALA 20 HB3 ALA 20 5.639 -2.304 -1.211
168 H GLY 21 HN GLY 21 6.733 1.556 -1.412
169 HA2 GLY 21 HA2 GLY 21 9.360 1.758 -2.569
170 HA3 GLY 21 HA3 GLY 21 8.249 3.106 -2.318
171 H VAL 22 HN VAL 22 7.939 3.037 0.453
172 HA VAL 22 HA VAL 22 10.312 4.380 1.384
173 HB VAL 22 HB VAL 22 7.868 3.198 2.751
174 HG11 VAL 22 HG11 VAL 22 9.478 3.340 4.494
175 HG12 VAL 22 HG12 VAL 22 8.559 4.840 4.613
176 HG13 VAL 22 HG13 VAL 22 10.152 4.841 3.858
177 HG21 VAL 22 HG21 VAL 22 8.605 6.086 2.189
178 HG22 VAL 22 HG22 VAL 22 7.049 5.468 2.745
179 HG23 VAL 22 HG23 VAL 22 7.604 5.115 1.109
180 H GLY 23 HN GLY 23 9.038 1.077 1.895
181 HA2 GLY 23 HA2 GLY 23 11.014 0.205 3.766
182 HA3 GLY 23 HA3 GLY 23 10.077 -0.860 2.716
183 H ILE 24 HN ILE 24 10.887 -0.123 0.196
184 HA ILE 24 HA ILE 24 13.465 -1.393 -0.061
185 HB ILE 24 HB ILE 24 11.689 0.240 -1.909
186 HG12 ILE 24 HG12 ILE 24 10.840 -1.969 -1.145
187 HG13 ILE 24 HG13 ILE 24 11.167 -1.958 -2.877
188 HG21 ILE 24 HG21 ILE 24 14.302 -1.175 -2.485
189 HG22 ILE 24 HG22 ILE 24 13.870 0.496 -2.847
190 HG23 ILE 24 HG23 ILE 24 13.119 -0.824 -3.746
191 HD11 ILE 24 HD11 ILE 24 12.129 -3.986 -2.133
192 HD12 ILE 24 HD12 ILE 24 12.776 -3.243 -0.670
193 HD13 ILE 24 HD13 ILE 24 13.503 -2.884 -2.237
194 H TYR 25 HN TYR 25 12.444 2.033 0.030
195 HA TYR 25 HA TYR 25 14.938 3.194 -0.780
196 HB2 TYR 25 HB2 TYR 25 12.679 4.312 -0.525
197 HB3 TYR 25 HB3 TYR 25 12.934 4.282 1.220
198 HD1 TYR 25 HD2 TYR 25 14.181 5.640 -1.994
199 HD2 TYR 25 HD1 TYR 25 14.530 5.745 2.286
200 HE1 TYR 25 HE2 TYR 25 15.561 7.694 -2.156
201 HE2 TYR 25 HE1 TYR 25 15.911 7.798 2.125
202 HH TYR 25 HH TYR 25 17.516 8.753 -0.166
203 H LEU 26 HN LEU 26 13.873 1.752 2.241
204 HA LEU 26 HA LEU 26 16.070 2.842 3.853
205 HB2 LEU 26 HB2 LEU 26 13.956 0.694 4.199
206 HB3 LEU 26 HB3 LEU 26 15.148 1.049 5.449
207 HG LEU 26 HG LEU 26 13.568 3.309 4.264
208 HD11 LEU 26 HD11 LEU 26 12.540 1.779 6.645
209 HD12 LEU 26 HD12 LEU 26 12.071 1.301 5.013
210 HD13 LEU 26 HD13 LEU 26 11.683 2.916 5.604
211 HD21 LEU 26 HD21 LEU 26 15.525 3.515 5.924
212 HD22 LEU 26 HD22 LEU 26 14.436 2.812 7.119
213 HD23 LEU 26 HD23 LEU 26 14.033 4.350 6.356
214 H LEU 27 HN LEU 27 15.480 0.051 1.803
215 HA LEU 27 HA LEU 27 18.235 -0.963 2.420
216 HB2 LEU 27 HB2 LEU 27 16.118 -2.188 3.356
217 HB3 LEU 27 HB3 LEU 27 15.899 -2.725 1.689
218 HG LEU 27 HG LEU 27 18.478 -3.340 1.910
219 HD11 LEU 27 HD11 LEU 27 19.213 -3.868 4.083
220 HD12 LEU 27 HD12 LEU 27 17.578 -3.840 4.743
221 HD13 LEU 27 HD13 LEU 27 18.379 -2.331 4.308
222 HD21 LEU 27 HD21 LEU 27 16.341 -5.040 3.232
223 HD22 LEU 27 HD22 LEU 27 17.820 -5.610 2.457
224 HD23 LEU 27 HD23 LEU 27 16.538 -4.886 1.485
225 HA PRO 28 HA PRO 28 17.411 -0.705 -2.177
226 HB2 PRO 28 HB2 PRO 28 18.354 1.785 -2.818
227 HB3 PRO 28 HB3 PRO 28 16.670 1.470 -2.360
228 HG2 PRO 28 HG2 PRO 28 18.749 2.865 -0.877
229 HG3 PRO 28 HG3 PRO 28 17.006 2.833 -0.612
230 HD2 PRO 28 HD2 PRO 28 19.068 1.350 0.777
231 HD3 PRO 28 HD3 PRO 28 17.342 1.461 1.142
232 H ASN 29 HN ASN 29 20.139 0.157 -0.172
233 HA ASN 29 HA ASN 29 22.087 -0.406 -2.362
234 HB2 ASN 29 HB2 ASN 29 21.995 1.556 -0.520
235 HB3 ASN 29 HB3 ASN 29 22.883 0.353 0.414
236 HD21 ASN 29 HD21 ASN 29 24.715 -0.774 -1.103
237 HD22 ASN 29 HD22 ASN 29 25.656 0.335 -1.979
238 H ARG 30 HN ARG 30 21.088 -1.518 0.875
239 HA ARG 30 HA ARG 30 23.058 -3.702 0.923
240 HB2 ARG 30 HB2 ARG 30 20.716 -2.890 2.679
241 HB3 ARG 30 HB3 ARG 30 21.810 -4.219 3.061
242 HG2 ARG 30 HG2 ARG 30 23.647 -2.785 3.383
243 HG3 ARG 30 HG3 ARG 30 22.897 -1.470 2.476
244 HD2 ARG 30 HD2 ARG 30 21.067 -1.887 4.509
245 HD3 ARG 30 HD3 ARG 30 22.618 -2.158 5.325
246 HE ARG 30 HE ARG 30 23.031 0.151 5.090
247 HH11 ARG 30 HH11 ARG 30 19.988 0.151 4.177
248 HH12 ARG 30 HH12 ARG 30 20.114 1.210 2.811
249 HH21 ARG 30 HH21 ARG 30 23.583 1.060 2.681
250 HH22 ARG 30 HH22 ARG 30 22.154 1.735 1.970
Start of MODEL 21
1 HA HIS 1 HA HIS 1 -21.134 5.524 11.619
2 HB2 HIS 1 HB2 HIS 1 -24.099 5.723 11.950
3 HB3 HIS 1 HB3 HIS 1 -23.428 4.148 11.528
4 HD1 HIS 1 HD1 HIS 1 -21.691 3.098 13.227
5 HD2 HIS 1 HD2 HIS 1 -23.584 6.554 14.591
6 HE1 HIS 1 HE1 HIS 1 -21.248 3.223 15.717
7 H SER 2 HN SER 2 -20.857 6.825 9.216
8 HA SER 2 HA SER 2 -22.153 5.013 7.205
9 HB2 SER 2 HB2 SER 2 -22.384 7.693 7.401
10 HB3 SER 2 HB3 SER 2 -20.911 7.616 6.439
11 HG SER 2 HG SER 2 -23.512 6.769 5.841
12 H VAL 3 HN VAL 3 -19.951 3.932 8.409
13 HA VAL 3 HA VAL 3 -17.792 3.067 8.009
14 HB VAL 3 HB VAL 3 -18.411 3.890 5.155
15 HG11 VAL 3 HG11 VAL 3 -16.177 2.741 6.035
16 HG12 VAL 3 HG12 VAL 3 -16.918 2.240 4.515
17 HG13 VAL 3 HG13 VAL 3 -17.178 1.290 5.978
18 HG21 VAL 3 HG21 VAL 3 -20.415 2.822 5.882
19 HG22 VAL 3 HG22 VAL 3 -19.527 1.636 6.839
20 HG23 VAL 3 HG23 VAL 3 -19.490 1.553 5.078
21 H SER 4 HN SER 4 -17.506 5.540 9.060
22 HA SER 4 HA SER 4 -15.931 7.289 7.290
23 HB2 SER 4 HB2 SER 4 -17.584 8.019 9.079
24 HB3 SER 4 HB3 SER 4 -16.411 7.469 10.274
25 HG SER 4 HG SER 4 -16.410 9.790 9.456
26 H HIS 5 HN HIS 5 -15.329 4.739 9.545
27 HA HIS 5 HA HIS 5 -12.391 5.122 9.208
28 HB2 HIS 5 HB2 HIS 5 -14.006 5.556 11.602
29 HB3 HIS 5 HB3 HIS 5 -12.752 4.350 11.881
30 HD1 HIS 5 HD1 HIS 5 -10.394 5.190 12.159
31 HD2 HIS 5 HD2 HIS 5 -12.921 8.113 10.593
32 HE1 HIS 5 HE1 HIS 5 -9.053 7.337 12.095
33 H ALA 6 HN ALA 6 -14.167 3.172 8.000
34 HA ALA 6 HA ALA 6 -13.696 0.655 9.525
35 HB1 ALA 6 HB1 ALA 6 -15.331 -0.257 8.017
36 HB2 ALA 6 HB2 ALA 6 -15.136 1.090 6.895
37 HB3 ALA 6 HB3 ALA 6 -15.906 1.351 8.460
38 H ARG 7 HN ARG 7 -11.431 2.114 8.197
39 HA ARG 7 HA ARG 7 -9.554 1.620 6.867
40 HB2 ARG 7 HB2 ARG 7 -10.489 -0.699 8.197
41 HB3 ARG 7 HB3 ARG 7 -10.052 -1.214 6.569
42 HG2 ARG 7 HG2 ARG 7 -8.057 -1.392 7.881
43 HG3 ARG 7 HG3 ARG 7 -7.865 0.050 6.885
44 HD2 ARG 7 HD2 ARG 7 -9.208 0.783 9.333
45 HD3 ARG 7 HD3 ARG 7 -7.718 -0.102 9.717
46 HE ARG 7 HE ARG 7 -7.849 2.364 8.036
47 HH11 ARG 7 HH11 ARG 7 -6.428 2.451 10.633
48 HH12 ARG 7 HH12 ARG 7 -4.780 2.170 10.180
49 HH21 ARG 7 HH21 ARG 7 -5.587 0.904 7.043
50 HH22 ARG 7 HH22 ARG 7 -4.304 1.287 8.140
51 HA PRO 8 HA PRO 8 -12.099 1.465 3.025
52 HB2 PRO 8 HB2 PRO 8 -10.887 3.621 1.845
53 HB3 PRO 8 HB3 PRO 8 -12.255 3.773 2.966
54 HG2 PRO 8 HG2 PRO 8 -9.347 4.169 3.464
55 HG3 PRO 8 HG3 PRO 8 -10.732 5.083 4.080
56 HD2 PRO 8 HD2 PRO 8 -9.393 3.222 5.551
57 HD3 PRO 8 HD3 PRO 8 -11.110 3.612 5.793
58 H ARG 9 HN ARG 9 -11.101 -0.437 2.240
59 HA ARG 9 HA ARG 9 -8.327 -0.783 1.635
60 HB2 ARG 9 HB2 ARG 9 -10.919 -2.066 0.772
61 HB3 ARG 9 HB3 ARG 9 -9.383 -2.616 0.104
62 HG2 ARG 9 HG2 ARG 9 -9.233 -3.939 1.934
63 HG3 ARG 9 HG3 ARG 9 -8.857 -2.462 2.822
64 HD2 ARG 9 HD2 ARG 9 -11.294 -2.131 3.260
65 HD3 ARG 9 HD3 ARG 9 -11.622 -3.674 2.448
66 HE ARG 9 HE ARG 9 -9.761 -3.529 4.791
67 HH11 ARG 9 HH11 ARG 9 -10.289 -6.097 3.253
68 HH12 ARG 9 HH12 ARG 9 -11.466 -6.866 4.263
69 HH21 ARG 9 HH21 ARG 9 -12.218 -3.967 6.033
70 HH22 ARG 9 HH22 ARG 9 -12.564 -5.653 5.846
71 H TRP 10 HN TRP 10 -10.990 0.567 -0.272
72 HA TRP 10 HA TRP 10 -9.899 0.524 -2.879
73 HB2 TRP 10 HB2 TRP 10 -11.606 2.569 -1.421
74 HB3 TRP 10 HB3 TRP 10 -11.352 2.581 -3.166
75 HD1 TRP 10 HD1 TRP 10 -12.343 0.509 -4.569
76 HE1 TRP 10 HE1 TRP 10 -14.294 -1.097 -4.062
77 HE3 TRP 10 HE3 TRP 10 -12.897 1.345 0.439
78 HZ2 TRP 10 HZ2 TRP 10 -15.879 -1.921 -1.827
79 HZ3 TRP 10 HZ3 TRP 10 -14.632 0.137 1.731
80 HH2 TRP 10 HH2 TRP 10 -16.122 -1.492 0.605
81 H PHE 11 HN PHE 11 -9.346 2.861 -0.238
82 HA PHE 11 HA PHE 11 -7.351 4.320 -1.906
83 HB2 PHE 11 HB2 PHE 11 -8.832 4.820 0.682
84 HB3 PHE 11 HB3 PHE 11 -7.456 5.820 0.215
85 HD1 PHE 11 HD2 PHE 11 -7.518 7.105 -1.942
86 HD2 PHE 11 HD1 PHE 11 -10.958 5.040 -0.402
87 HE1 PHE 11 HE2 PHE 11 -8.984 8.416 -3.453
88 HE2 PHE 11 HE1 PHE 11 -12.421 6.351 -1.913
89 HZ PHE 11 HZ PHE 11 -11.435 8.039 -3.439
90 H TRP 12 HN TRP 12 -7.630 2.340 1.031
91 HA TRP 12 HA TRP 12 -4.978 2.744 2.035
92 HB2 TRP 12 HB2 TRP 12 -6.766 1.809 3.382
93 HB3 TRP 12 HB3 TRP 12 -6.969 0.470 2.254
94 HD1 TRP 12 HD1 TRP 12 -5.557 -1.625 2.644
95 HE1 TRP 12 HE1 TRP 12 -3.637 -2.258 4.241
96 HE3 TRP 12 HE3 TRP 12 -4.569 2.948 4.694
97 HZ2 TRP 12 HZ2 TRP 12 -1.910 -0.992 6.142
98 HZ3 TRP 12 HZ3 TRP 12 -2.784 3.204 6.392
99 HH2 TRP 12 HH2 TRP 12 -1.454 1.242 7.118
100 H PHE 13 HN PHE 13 -6.203 0.736 -0.552
101 HA PHE 13 HA PHE 13 -4.094 -1.172 -0.753
102 HB2 PHE 13 HB2 PHE 13 -6.239 -1.278 -1.976
103 HB3 PHE 13 HB3 PHE 13 -5.782 0.153 -2.901
104 HD1 PHE 13 HD1 PHE 13 -4.002 0.056 -4.589
105 HD2 PHE 13 HD2 PHE 13 -5.191 -3.440 -2.394
106 HE1 PHE 13 HE1 PHE 13 -2.793 -1.374 -6.214
107 HE2 PHE 13 HE2 PHE 13 -3.981 -4.870 -4.020
108 HZ PHE 13 HZ PHE 13 -2.783 -3.837 -5.929
109 H SER 14 HN SER 14 -4.442 2.064 -2.150
110 HA SER 14 HA SER 14 -1.984 2.113 -3.624
111 HB2 SER 14 HB2 SER 14 -4.127 3.697 -3.483
112 HB3 SER 14 HB3 SER 14 -3.116 4.568 -2.333
113 HG SER 14 HG SER 14 -2.724 4.075 -5.078
114 H LEU 15 HN LEU 15 -2.784 2.823 -0.278
115 HA LEU 15 HA LEU 15 -0.262 3.994 0.503
116 HB2 LEU 15 HB2 LEU 15 -2.570 3.996 1.660
117 HB3 LEU 15 HB3 LEU 15 -2.160 2.377 2.226
118 HG LEU 15 HG LEU 15 -0.101 4.488 2.630
119 HD11 LEU 15 HD11 LEU 15 -1.184 5.483 4.507
120 HD12 LEU 15 HD12 LEU 15 -2.483 4.290 4.482
121 HD13 LEU 15 HD13 LEU 15 -2.379 5.507 3.210
122 HD21 LEU 15 HD21 LEU 15 -1.075 1.968 3.905
123 HD22 LEU 15 HD22 LEU 15 -0.320 3.165 4.957
124 HD23 LEU 15 HD23 LEU 15 0.577 2.502 3.592
125 H LEU 16 HN LEU 16 -1.553 0.659 0.571
126 HA LEU 16 HA LEU 16 0.667 -0.610 1.838
127 HB2 LEU 16 HB2 LEU 16 -1.715 -1.447 1.277
128 HB3 LEU 16 HB3 LEU 16 -1.072 -1.808 -0.324
129 HG LEU 16 HG LEU 16 0.651 -2.792 1.834
130 HD11 LEU 16 HD11 LEU 16 -2.112 -4.005 1.527
131 HD12 LEU 16 HD12 LEU 16 -1.595 -3.039 2.909
132 HD13 LEU 16 HD13 LEU 16 -0.819 -4.587 2.575
133 HD21 LEU 16 HD21 LEU 16 0.648 -3.328 -0.682
134 HD22 LEU 16 HD22 LEU 16 -0.761 -4.335 -0.351
135 HD23 LEU 16 HD23 LEU 16 0.784 -4.703 0.415
136 H LEU 17 HN LEU 17 -0.011 0.094 -1.551
137 HA LEU 17 HA LEU 17 2.264 -1.222 -2.701
138 HB2 LEU 17 HB2 LEU 17 0.071 -0.175 -3.709
139 HB3 LEU 17 HB3 LEU 17 1.032 1.302 -3.788
140 HG LEU 17 HG LEU 17 2.338 -1.160 -4.818
141 HD11 LEU 17 HD11 LEU 17 0.335 0.252 -6.571
142 HD12 LEU 17 HD12 LEU 17 -0.149 -1.130 -5.588
143 HD13 LEU 17 HD13 LEU 17 1.104 -1.316 -6.814
144 HD21 LEU 17 HD21 LEU 17 3.464 0.358 -6.171
145 HD22 LEU 17 HD22 LEU 17 3.068 1.395 -4.800
146 HD23 LEU 17 HD23 LEU 17 2.086 1.455 -6.263
147 H LEU 18 HN LEU 18 1.782 1.914 -1.234
148 HA LEU 18 HA LEU 18 4.356 3.038 -2.001
149 HB2 LEU 18 HB2 LEU 18 1.953 3.995 -1.119
150 HB3 LEU 18 HB3 LEU 18 2.890 4.055 0.371
151 HG LEU 18 HG LEU 18 3.064 6.180 -0.872
152 HD11 LEU 18 HD11 LEU 18 5.427 6.419 -0.732
153 HD12 LEU 18 HD12 LEU 18 5.698 4.719 -1.112
154 HD13 LEU 18 HD13 LEU 18 5.015 5.176 0.447
155 HD21 LEU 18 HD21 LEU 18 2.792 4.966 -3.137
156 HD22 LEU 18 HD22 LEU 18 4.527 4.666 -3.039
157 HD23 LEU 18 HD23 LEU 18 3.919 6.320 -3.077
158 H ALA 19 HN ALA 19 3.061 1.265 0.744
159 HA ALA 19 HA ALA 19 5.162 1.672 2.635
160 HB1 ALA 19 HB1 ALA 19 2.836 0.596 2.874
161 HB2 ALA 19 HB2 ALA 19 4.152 -0.180 3.756
162 HB3 ALA 19 HB3 ALA 19 3.575 -0.875 2.241
163 H ALA 20 HN ALA 20 4.787 -0.749 0.030
164 HA ALA 20 HA ALA 20 7.122 -2.309 0.627
165 HB1 ALA 20 HB1 ALA 20 6.862 -2.845 -1.886
166 HB2 ALA 20 HB2 ALA 20 5.499 -1.726 -1.861
167 HB3 ALA 20 HB3 ALA 20 5.468 -3.177 -0.858
168 H GLY 21 HN GLY 21 6.628 0.550 -1.464
169 HA2 GLY 21 HA2 GLY 21 9.287 0.686 -2.512
170 HA3 GLY 21 HA3 GLY 21 8.170 2.048 -2.405
171 H VAL 22 HN VAL 22 7.822 2.010 0.450
172 HA VAL 22 HA VAL 22 10.042 3.613 1.305
173 HB VAL 22 HB VAL 22 7.869 2.121 2.822
174 HG11 VAL 22 HG11 VAL 22 8.377 4.034 4.518
175 HG12 VAL 22 HG12 VAL 22 9.935 4.133 3.699
176 HG13 VAL 22 HG13 VAL 22 9.448 2.633 4.490
177 HG21 VAL 22 HG21 VAL 22 7.830 5.070 2.503
178 HG22 VAL 22 HG22 VAL 22 6.505 3.910 2.405
179 HG23 VAL 22 HG23 VAL 22 7.573 4.148 1.023
180 H GLY 23 HN GLY 23 9.225 0.176 1.888
181 HA2 GLY 23 HA2 GLY 23 11.367 -0.413 3.682
182 HA3 GLY 23 HA3 GLY 23 10.553 -1.600 2.662
183 H ILE 24 HN ILE 24 11.164 -0.527 0.123
184 HA ILE 24 HA ILE 24 13.841 -1.539 -0.311
185 HB ILE 24 HB ILE 24 11.899 0.090 -1.998
186 HG12 ILE 24 HG12 ILE 24 12.556 -2.790 -2.475
187 HG13 ILE 24 HG13 ILE 24 11.513 -2.404 -1.107
188 HG21 ILE 24 HG21 ILE 24 13.363 -1.071 -3.866
189 HG22 ILE 24 HG22 ILE 24 14.598 -1.079 -2.606
190 HG23 ILE 24 HG23 ILE 24 13.895 0.447 -3.143
191 HD11 ILE 24 HD11 ILE 24 10.053 -1.084 -2.648
192 HD12 ILE 24 HD12 ILE 24 10.127 -2.794 -3.072
193 HD13 ILE 24 HD13 ILE 24 11.055 -1.615 -3.998
194 H TYR 25 HN TYR 25 12.466 1.732 0.055
195 HA TYR 25 HA TYR 25 14.797 3.222 -0.720
196 HB2 TYR 25 HB2 TYR 25 12.531 4.165 -0.490
197 HB3 TYR 25 HB3 TYR 25 12.562 3.840 1.243
198 HD1 TYR 25 HD1 TYR 25 14.303 5.735 -1.465
199 HD2 TYR 25 HD2 TYR 25 13.579 5.350 2.753
200 HE1 TYR 25 HE1 TYR 25 15.463 7.889 -1.067
201 HE2 TYR 25 HE2 TYR 25 14.737 7.506 3.148
202 HH TYR 25 HH TYR 25 15.157 9.720 1.363
203 H LEU 26 HN LEU 26 14.011 1.420 2.171
204 HA LEU 26 HA LEU 26 16.045 2.722 3.855
205 HB2 LEU 26 HB2 LEU 26 13.872 0.743 4.066
206 HB3 LEU 26 HB3 LEU 26 15.279 0.340 5.047
207 HG LEU 26 HG LEU 26 15.113 2.945 5.659
208 HD11 LEU 26 HD11 LEU 26 13.172 3.344 4.196
209 HD12 LEU 26 HD12 LEU 26 12.733 3.586 5.886
210 HD13 LEU 26 HD13 LEU 26 12.260 2.103 5.055
211 HD21 LEU 26 HD21 LEU 26 15.092 1.156 7.306
212 HD22 LEU 26 HD22 LEU 26 13.453 0.697 6.843
213 HD23 LEU 26 HD23 LEU 26 13.743 2.240 7.646
214 H LEU 27 HN LEU 27 15.797 -0.023 1.673
215 HA LEU 27 HA LEU 27 18.612 -0.799 2.372
216 HB2 LEU 27 HB2 LEU 27 16.557 -2.290 2.982
217 HB3 LEU 27 HB3 LEU 27 16.517 -2.658 1.256
218 HG LEU 27 HG LEU 27 19.131 -3.063 1.666
219 HD11 LEU 27 HD11 LEU 27 17.998 -4.015 4.292
220 HD12 LEU 27 HD12 LEU 27 18.683 -2.397 4.146
221 HD13 LEU 27 HD13 LEU 27 19.688 -3.811 3.826
222 HD21 LEU 27 HD21 LEU 27 17.487 -4.713 0.803
223 HD22 LEU 27 HD22 LEU 27 16.976 -5.052 2.457
224 HD23 LEU 27 HD23 LEU 27 18.613 -5.454 1.940
225 HA PRO 28 HA PRO 28 18.122 -0.225 -2.277
226 HB2 PRO 28 HB2 PRO 28 18.565 2.442 -2.697
227 HB3 PRO 28 HB3 PRO 28 16.951 1.760 -2.426
228 HG2 PRO 28 HG2 PRO 28 18.578 3.421 -0.661
229 HG3 PRO 28 HG3 PRO 28 16.847 3.077 -0.611
230 HD2 PRO 28 HD2 PRO 28 18.941 1.912 0.984
231 HD3 PRO 28 HD3 PRO 28 17.199 1.637 1.070
232 H ASN 29 HN ASN 29 20.295 1.834 -0.309
233 HA ASN 29 HA ASN 29 22.602 0.985 -2.019
234 HB2 ASN 29 HB2 ASN 29 21.687 3.473 -1.264
235 HB3 ASN 29 HB3 ASN 29 22.941 3.166 -0.062
236 HD21 ASN 29 HD21 ASN 29 22.454 4.338 -3.208
237 HD22 ASN 29 HD22 ASN 29 24.047 4.191 -3.775
238 H ARG 30 HN ARG 30 21.151 -0.052 0.728
239 HA ARG 30 HA ARG 30 21.880 -1.286 2.591
240 HB2 ARG 30 HB2 ARG 30 23.881 -1.501 0.478
241 HB3 ARG 30 HB3 ARG 30 24.613 -1.677 2.073
242 HG2 ARG 30 HG2 ARG 30 22.085 -3.156 1.360
243 HG3 ARG 30 HG3 ARG 30 23.668 -3.805 0.929
244 HD2 ARG 30 HD2 ARG 30 24.355 -3.641 3.330
245 HD3 ARG 30 HD3 ARG 30 22.707 -3.113 3.729
246 HE ARG 30 HE ARG 30 21.884 -5.296 3.086
247 HH11 ARG 30 HH11 ARG 30 24.092 -6.243 4.793
248 HH12 ARG 30 HH12 ARG 30 24.952 -7.333 3.758
249 HH21 ARG 30 HH21 ARG 30 23.507 -6.109 0.842
250 HH22 ARG 30 HH22 ARG 30 24.620 -7.256 1.509
Start of MODEL 22
1 HA HIS 1 HA HIS 1 -12.294 5.668 14.150
2 HB2 HIS 1 HB2 HIS 1 -13.973 6.314 16.541
3 HB3 HIS 1 HB3 HIS 1 -13.356 4.669 16.391
4 HD1 HIS 1 HD1 HIS 1 -10.757 4.352 16.419
5 HD2 HIS 1 HD2 HIS 1 -12.000 8.278 17.078
6 HE1 HIS 1 HE1 HIS 1 -8.733 5.611 17.277
7 H SER 2 HN SER 2 -13.993 5.450 12.158
8 HA SER 2 HA SER 2 -16.033 3.365 12.830
9 HB2 SER 2 HB2 SER 2 -16.899 4.003 10.551
10 HB3 SER 2 HB3 SER 2 -16.862 5.345 11.691
11 HG SER 2 HG SER 2 -15.956 5.740 9.531
12 H VAL 3 HN VAL 3 -13.034 2.923 12.500
13 HA VAL 3 HA VAL 3 -11.570 1.424 11.418
14 HB VAL 3 HB VAL 3 -14.159 -0.048 10.836
15 HG11 VAL 3 HG11 VAL 3 -11.307 -0.893 11.412
16 HG12 VAL 3 HG12 VAL 3 -12.227 -1.165 9.931
17 HG13 VAL 3 HG13 VAL 3 -12.666 -2.017 11.411
18 HG21 VAL 3 HG21 VAL 3 -14.531 0.320 13.080
19 HG22 VAL 3 HG22 VAL 3 -12.826 0.622 13.420
20 HG23 VAL 3 HG23 VAL 3 -13.409 -1.033 13.233
21 H SER 4 HN SER 4 -12.177 3.579 9.750
22 HA SER 4 HA SER 4 -13.053 2.584 7.124
23 HB2 SER 4 HB2 SER 4 -13.352 4.924 8.304
24 HB3 SER 4 HB3 SER 4 -11.755 5.242 7.632
25 HG SER 4 HG SER 4 -12.554 4.971 5.606
26 H HIS 5 HN HIS 5 -10.074 2.897 8.826
27 HA HIS 5 HA HIS 5 -8.502 2.663 6.287
28 HB2 HIS 5 HB2 HIS 5 -8.106 3.850 8.981
29 HB3 HIS 5 HB3 HIS 5 -6.685 3.080 8.275
30 HD1 HIS 5 HD1 HIS 5 -5.983 3.955 5.832
31 HD2 HIS 5 HD2 HIS 5 -8.746 6.326 7.860
32 HE1 HIS 5 HE1 HIS 5 -6.018 6.189 4.641
33 H ALA 6 HN ALA 6 -10.000 0.417 7.530
34 HA ALA 6 HA ALA 6 -7.798 -1.537 7.644
35 HB1 ALA 6 HB1 ALA 6 -7.899 -0.645 9.937
36 HB2 ALA 6 HB2 ALA 6 -8.473 -2.312 9.915
37 HB3 ALA 6 HB3 ALA 6 -9.628 -0.983 10.006
38 H ARG 7 HN ARG 7 -9.984 -1.197 5.824
39 HA ARG 7 HA ARG 7 -11.206 -3.848 5.958
40 HB2 ARG 7 HB2 ARG 7 -12.510 -1.530 7.112
41 HB3 ARG 7 HB3 ARG 7 -13.471 -2.164 5.777
42 HG2 ARG 7 HG2 ARG 7 -13.738 -4.257 6.786
43 HG3 ARG 7 HG3 ARG 7 -12.330 -4.045 7.826
44 HD2 ARG 7 HD2 ARG 7 -13.482 -2.672 9.334
45 HD3 ARG 7 HD3 ARG 7 -14.689 -2.191 8.125
46 HE ARG 7 HE ARG 7 -14.587 -4.856 9.472
47 HH11 ARG 7 HH11 ARG 7 -15.699 -4.903 6.662
48 HH12 ARG 7 HH12 ARG 7 -17.393 -4.681 6.949
49 HH21 ARG 7 HH21 ARG 7 -16.957 -3.532 10.200
50 HH22 ARG 7 HH22 ARG 7 -18.108 -3.901 8.960
51 HA PRO 8 HA PRO 8 -12.625 -1.741 1.932
52 HB2 PRO 8 HB2 PRO 8 -12.335 0.962 1.626
53 HB3 PRO 8 HB3 PRO 8 -13.776 0.220 2.347
54 HG2 PRO 8 HG2 PRO 8 -11.477 1.558 3.666
55 HG3 PRO 8 HG3 PRO 8 -13.193 1.566 4.100
56 HD2 PRO 8 HD2 PRO 8 -11.286 0.044 5.350
57 HD3 PRO 8 HD3 PRO 8 -13.018 -0.343 5.322
58 H ARG 9 HN ARG 9 -11.332 -1.697 0.089
59 HA ARG 9 HA ARG 9 -8.420 -1.155 0.509
60 HB2 ARG 9 HB2 ARG 9 -8.163 -2.731 -1.396
61 HB3 ARG 9 HB3 ARG 9 -9.119 -3.445 -0.100
62 HG2 ARG 9 HG2 ARG 9 -11.096 -3.341 -1.306
63 HG3 ARG 9 HG3 ARG 9 -10.562 -1.964 -2.268
64 HD2 ARG 9 HD2 ARG 9 -10.050 -3.432 -3.921
65 HD3 ARG 9 HD3 ARG 9 -8.757 -4.057 -2.879
66 HE ARG 9 HE ARG 9 -11.524 -5.066 -2.436
67 HH11 ARG 9 HH21 ARG 9 -9.523 -5.864 -4.839
68 HH12 ARG 9 HH22 ARG 9 -9.068 -7.434 -4.268
69 HH21 ARG 9 HH11 ARG 9 -10.413 -6.961 -1.097
70 HH22 ARG 9 HH12 ARG 9 -9.575 -8.058 -2.144
71 H TRP 10 HN TRP 10 -8.199 -1.228 -2.558
72 HA TRP 10 HA TRP 10 -8.131 0.290 -4.346
73 HB2 TRP 10 HB2 TRP 10 -10.687 0.660 -2.983
74 HB3 TRP 10 HB3 TRP 10 -10.144 2.151 -3.750
75 HD1 TRP 10 HD1 TRP 10 -11.172 -1.434 -4.536
76 HE1 TRP 10 HE1 TRP 10 -11.597 -1.644 -7.070
77 HE3 TRP 10 HE3 TRP 10 -9.522 3.142 -6.089
78 HZ2 TRP 10 HZ2 TRP 10 -11.280 -0.077 -9.442
79 HZ3 TRP 10 HZ3 TRP 10 -9.593 3.757 -8.488
80 HH2 TRP 10 HH2 TRP 10 -10.470 2.154 -10.165
81 H PHE 11 HN PHE 11 -9.313 2.692 -1.980
82 HA PHE 11 HA PHE 11 -7.166 4.524 -2.546
83 HB2 PHE 11 HB2 PHE 11 -8.250 5.894 -0.942
84 HB3 PHE 11 HB3 PHE 11 -9.552 4.900 -1.586
85 HD1 PHE 11 HD2 PHE 11 -10.531 3.080 -0.253
86 HD2 PHE 11 HD1 PHE 11 -7.397 5.562 1.320
87 HE1 PHE 11 HE2 PHE 11 -11.004 2.237 2.027
88 HE2 PHE 11 HE1 PHE 11 -7.874 4.717 3.601
89 HZ PHE 11 HZ PHE 11 -9.677 3.055 3.954
90 H TRP 12 HN TRP 12 -7.611 2.016 -0.079
91 HA TRP 12 HA TRP 12 -5.183 2.778 1.390
92 HB2 TRP 12 HB2 TRP 12 -7.034 1.887 2.636
93 HB3 TRP 12 HB3 TRP 12 -7.202 0.526 1.531
94 HD1 TRP 12 HD1 TRP 12 -5.797 -1.582 1.986
95 HE1 TRP 12 HE1 TRP 12 -4.066 -2.245 3.775
96 HE3 TRP 12 HE3 TRP 12 -5.050 2.951 4.210
97 HZ2 TRP 12 HZ2 TRP 12 -2.562 -1.014 5.878
98 HZ3 TRP 12 HZ3 TRP 12 -3.466 3.179 6.103
99 HH2 TRP 12 HH2 TRP 12 -2.223 1.203 6.938
100 H PHE 13 HN PHE 13 -6.033 0.703 -1.252
101 HA PHE 13 HA PHE 13 -3.931 -1.226 -1.113
102 HB2 PHE 13 HB2 PHE 13 -6.070 -1.003 -2.612
103 HB3 PHE 13 HB3 PHE 13 -5.009 -0.086 -3.681
104 HD1 PHE 13 HD1 PHE 13 -5.379 -3.352 -1.927
105 HD2 PHE 13 HD2 PHE 13 -3.436 -1.176 -5.078
106 HE1 PHE 13 HE1 PHE 13 -4.440 -5.472 -2.809
107 HE2 PHE 13 HE2 PHE 13 -2.496 -3.296 -5.962
108 HZ PHE 13 HZ PHE 13 -2.997 -5.443 -4.826
109 H SER 14 HN SER 14 -4.101 1.974 -2.609
110 HA SER 14 HA SER 14 -1.483 1.966 -3.793
111 HB2 SER 14 HB2 SER 14 -3.622 3.905 -3.111
112 HB3 SER 14 HB3 SER 14 -2.008 4.590 -3.281
113 HG SER 14 HG SER 14 -3.367 4.374 -5.246
114 H LEU 15 HN LEU 15 -2.704 2.831 -0.613
115 HA LEU 15 HA LEU 15 -0.320 4.022 0.465
116 HB2 LEU 15 HB2 LEU 15 -2.748 3.999 1.326
117 HB3 LEU 15 HB3 LEU 15 -2.398 2.386 1.949
118 HG LEU 15 HG LEU 15 -0.445 4.542 2.604
119 HD11 LEU 15 HD11 LEU 15 -3.161 4.279 3.934
120 HD12 LEU 15 HD12 LEU 15 -2.616 5.653 2.970
121 HD13 LEU 15 HD13 LEU 15 -1.834 5.289 4.508
122 HD21 LEU 15 HD21 LEU 15 -1.505 1.992 3.758
123 HD22 LEU 15 HD22 LEU 15 -0.873 3.200 4.877
124 HD23 LEU 15 HD23 LEU 15 0.163 2.547 3.608
125 H LEU 16 HN LEU 16 -1.532 0.664 0.375
126 HA LEU 16 HA LEU 16 0.550 -0.539 1.932
127 HB2 LEU 16 HB2 LEU 16 -1.744 -1.430 1.138
128 HB3 LEU 16 HB3 LEU 16 -0.932 -1.806 -0.380
129 HG LEU 16 HG LEU 16 0.570 -2.722 1.967
130 HD11 LEU 16 HD11 LEU 16 -0.927 -4.477 2.653
131 HD12 LEU 16 HD12 LEU 16 -2.080 -4.070 1.381
132 HD13 LEU 16 HD13 LEU 16 -1.836 -2.968 2.736
133 HD21 LEU 16 HD21 LEU 16 -0.575 -4.342 -0.316
134 HD22 LEU 16 HD22 LEU 16 0.899 -4.643 0.604
135 HD23 LEU 16 HD23 LEU 16 0.828 -3.298 -0.536
136 H LEU 17 HN LEU 17 0.221 0.045 -1.539
137 HA LEU 17 HA LEU 17 2.651 -1.223 -2.381
138 HB2 LEU 17 HB2 LEU 17 0.576 -0.309 -3.685
139 HB3 LEU 17 HB3 LEU 17 1.444 1.225 -3.663
140 HG LEU 17 HG LEU 17 3.090 -1.089 -4.463
141 HD11 LEU 17 HD11 LEU 17 2.088 -1.543 -6.531
142 HD12 LEU 17 HD12 LEU 17 1.137 -0.058 -6.506
143 HD13 LEU 17 HD13 LEU 17 0.689 -1.409 -5.464
144 HD21 LEU 17 HD21 LEU 17 2.602 1.449 -6.009
145 HD22 LEU 17 HD22 LEU 17 4.082 0.499 -5.879
146 HD23 LEU 17 HD23 LEU 17 3.546 1.488 -4.521
147 H LEU 18 HN LEU 18 1.882 1.997 -1.212
148 HA LEU 18 HA LEU 18 4.454 3.215 -1.672
149 HB2 LEU 18 HB2 LEU 18 1.941 4.018 -0.920
150 HB3 LEU 18 HB3 LEU 18 2.801 4.120 0.613
151 HG LEU 18 HG LEU 18 2.916 6.260 -0.604
152 HD11 LEU 18 HD11 LEU 18 4.874 5.290 0.778
153 HD12 LEU 18 HD12 LEU 18 5.226 6.639 -0.300
154 HD13 LEU 18 HD13 LEU 18 5.649 4.996 -0.779
155 HD21 LEU 18 HD21 LEU 18 3.926 6.458 -2.762
156 HD22 LEU 18 HD22 LEU 18 2.788 5.117 -2.890
157 HD23 LEU 18 HD23 LEU 18 4.513 4.796 -2.719
158 H ALA 19 HN ALA 19 3.039 1.392 0.997
159 HA ALA 19 HA ALA 19 5.099 1.834 2.953
160 HB1 ALA 19 HB1 ALA 19 2.720 0.824 3.141
161 HB2 ALA 19 HB2 ALA 19 3.986 0.082 4.118
162 HB3 ALA 19 HB3 ALA 19 3.464 -0.689 2.621
163 H ALA 20 HN ALA 20 4.685 -0.625 0.400
164 HA ALA 20 HA ALA 20 6.950 -2.260 1.065
165 HB1 ALA 20 HB1 ALA 20 5.184 -1.736 -1.297
166 HB2 ALA 20 HB2 ALA 20 5.484 -3.248 -0.441
167 HB3 ALA 20 HB3 ALA 20 6.680 -2.626 -1.579
168 H GLY 21 HN GLY 21 6.587 0.631 -0.992
169 HA2 GLY 21 HA2 GLY 21 9.278 0.620 -2.023
170 HA3 GLY 21 HA3 GLY 21 8.194 2.014 -2.006
171 H VAL 22 HN VAL 22 7.764 2.066 0.857
172 HA VAL 22 HA VAL 22 9.968 3.675 1.721
173 HB VAL 22 HB VAL 22 7.780 2.186 3.218
174 HG11 VAL 22 HG11 VAL 22 9.641 4.389 4.166
175 HG12 VAL 22 HG12 VAL 22 9.596 2.732 4.767
176 HG13 VAL 22 HG13 VAL 22 8.231 3.810 5.053
177 HG21 VAL 22 HG21 VAL 22 7.618 4.317 1.450
178 HG22 VAL 22 HG22 VAL 22 7.681 5.114 3.021
179 HG23 VAL 22 HG23 VAL 22 6.423 3.925 2.685
180 H GLY 23 HN GLY 23 9.187 0.234 2.254
181 HA2 GLY 23 HA2 GLY 23 11.340 -0.315 4.075
182 HA3 GLY 23 HA3 GLY 23 10.478 -1.523 3.121
183 H ILE 24 HN ILE 24 11.041 -0.733 0.525
184 HA ILE 24 HA ILE 24 13.741 -1.705 0.161
185 HB ILE 24 HB ILE 24 11.447 -1.545 -1.330
186 HG12 ILE 24 HG12 ILE 24 13.046 -2.165 -3.290
187 HG13 ILE 24 HG13 ILE 24 14.327 -2.007 -2.089
188 HG21 ILE 24 HG21 ILE 24 11.871 0.891 -1.770
189 HG22 ILE 24 HG22 ILE 24 11.805 -0.087 -3.234
190 HG23 ILE 24 HG23 ILE 24 13.363 0.437 -2.594
191 HD11 ILE 24 HD11 ILE 24 11.882 -3.762 -1.733
192 HD12 ILE 24 HD12 ILE 24 13.292 -3.688 -0.678
193 HD13 ILE 24 HD13 ILE 24 13.443 -4.349 -2.306
194 H TYR 25 HN TYR 25 12.332 1.537 0.370
195 HA TYR 25 HA TYR 25 14.527 3.018 -0.753
196 HB2 TYR 25 HB2 TYR 25 12.185 3.819 -0.232
197 HB3 TYR 25 HB3 TYR 25 12.628 3.823 1.475
198 HD1 TYR 25 HD2 TYR 25 13.295 5.364 -1.824
199 HD2 TYR 25 HD1 TYR 25 14.122 5.488 2.389
200 HE1 TYR 25 HE2 TYR 25 14.343 7.594 -2.095
201 HE2 TYR 25 HE1 TYR 25 15.170 7.719 2.118
202 HH TYR 25 HH TYR 25 16.341 8.909 -0.341
203 H LEU 26 HN LEU 26 14.114 1.364 2.294
204 HA LEU 26 HA LEU 26 16.271 2.814 3.679
205 HB2 LEU 26 HB2 LEU 26 14.584 0.358 4.257
206 HB3 LEU 26 HB3 LEU 26 15.799 0.973 5.377
207 HG LEU 26 HG LEU 26 13.762 2.889 4.304
208 HD11 LEU 26 HD11 LEU 26 12.630 0.708 5.114
209 HD12 LEU 26 HD12 LEU 26 12.081 2.224 5.830
210 HD13 LEU 26 HD13 LEU 26 13.183 1.176 6.722
211 HD21 LEU 26 HD21 LEU 26 15.746 3.463 5.823
212 HD22 LEU 26 HD22 LEU 26 14.903 2.573 7.091
213 HD23 LEU 26 HD23 LEU 26 14.164 4.006 6.378
214 H LEU 27 HN LEU 27 15.933 0.026 1.590
215 HA LEU 27 HA LEU 27 18.821 -0.645 2.046
216 HB2 LEU 27 HB2 LEU 27 16.972 -2.178 3.012
217 HB3 LEU 27 HB3 LEU 27 16.647 -2.621 1.335
218 HG LEU 27 HG LEU 27 19.271 -2.994 1.264
219 HD11 LEU 27 HD11 LEU 27 18.787 -3.779 4.123
220 HD12 LEU 27 HD12 LEU 27 19.267 -2.123 3.752
221 HD13 LEU 27 HD13 LEU 27 20.313 -3.468 3.295
222 HD21 LEU 27 HD21 LEU 27 17.312 -4.889 2.603
223 HD22 LEU 27 HD22 LEU 27 18.876 -5.364 1.940
224 HD23 LEU 27 HD23 LEU 27 17.615 -4.754 0.870
225 HA PRO 28 HA PRO 28 17.769 -0.376 -2.534
226 HB2 PRO 28 HB2 PRO 28 18.050 2.274 -3.149
227 HB3 PRO 28 HB3 PRO 28 16.509 1.559 -2.641
228 HG2 PRO 28 HG2 PRO 28 18.277 3.372 -1.188
229 HG3 PRO 28 HG3 PRO 28 16.580 2.979 -0.902
230 HD2 PRO 28 HD2 PRO 28 18.899 1.973 0.477
231 HD3 PRO 28 HD3 PRO 28 17.193 1.653 0.800
232 H ASN 29 HN ASN 29 20.086 1.859 -0.956
233 HA ASN 29 HA ASN 29 22.191 1.020 -2.914
234 HB2 ASN 29 HB2 ASN 29 21.341 3.503 -1.670
235 HB3 ASN 29 HB3 ASN 29 23.048 3.201 -1.340
236 HD21 ASN 29 HD21 ASN 29 20.684 3.536 -4.010
237 HD22 ASN 29 HD22 ASN 29 21.842 3.900 -5.196
238 H ARG 30 HN ARG 30 21.473 1.404 0.553
239 HA ARG 30 HA ARG 30 24.086 0.477 1.455
240 HB2 ARG 30 HB2 ARG 30 22.742 1.986 2.797
241 HB3 ARG 30 HB3 ARG 30 21.374 0.874 2.761
242 HG2 ARG 30 HG2 ARG 30 23.874 -0.310 3.793
243 HG3 ARG 30 HG3 ARG 30 23.222 0.992 4.787
244 HD2 ARG 30 HD2 ARG 30 21.523 -1.323 3.799
245 HD3 ARG 30 HD3 ARG 30 22.333 -1.315 5.379
246 HE ARG 30 HE ARG 30 20.085 0.437 4.582
247 HH11 ARG 30 HH21 ARG 30 20.010 -0.985 7.156
248 HH12 ARG 30 HH22 ARG 30 20.504 0.222 8.294
249 HH21 ARG 30 HH11 ARG 30 21.874 2.311 5.875
250 HH22 ARG 30 HH12 ARG 30 21.562 2.099 7.565
Start of MODEL 23
1 HA HIS 1 HA HIS 1 -7.233 10.995 -8.188
2 HB2 HIS 1 HB2 HIS 1 -7.554 11.661 -10.905
3 HB3 HIS 1 HB3 HIS 1 -9.157 11.861 -10.197
4 HD1 HIS 1 HD1 HIS 1 -5.714 13.288 -10.173
5 HD2 HIS 1 HD2 HIS 1 -9.286 13.833 -8.093
6 HE1 HIS 1 HE1 HIS 1 -5.464 15.446 -8.872
7 H SER 2 HN SER 2 -9.884 11.804 -8.034
8 HA SER 2 HA SER 2 -12.034 11.151 -7.352
9 HB2 SER 2 HB2 SER 2 -11.669 9.858 -9.628
10 HB3 SER 2 HB3 SER 2 -11.561 8.447 -8.579
11 HG SER 2 HG SER 2 -13.716 8.908 -9.280
12 H VAL 3 HN VAL 3 -11.359 11.137 -5.148
13 HA VAL 3 HA VAL 3 -10.419 8.562 -3.992
14 HB VAL 3 HB VAL 3 -10.837 11.318 -2.779
15 HG11 VAL 3 HG11 VAL 3 -9.961 8.709 -1.704
16 HG12 VAL 3 HG12 VAL 3 -10.605 10.116 -0.859
17 HG13 VAL 3 HG13 VAL 3 -8.900 10.060 -1.306
18 HG21 VAL 3 HG21 VAL 3 -9.148 11.292 -4.600
19 HG22 VAL 3 HG22 VAL 3 -8.312 9.967 -3.793
20 HG23 VAL 3 HG23 VAL 3 -8.395 11.553 -3.027
21 H SER 4 HN SER 4 -13.331 9.376 -4.938
22 HA SER 4 HA SER 4 -14.998 9.355 -2.591
23 HB2 SER 4 HB2 SER 4 -15.240 9.529 -5.412
24 HB3 SER 4 HB3 SER 4 -16.248 8.176 -4.907
25 HG SER 4 HG SER 4 -17.607 9.642 -4.276
26 H HIS 5 HN HIS 5 -13.431 6.860 -4.445
27 HA HIS 5 HA HIS 5 -14.879 4.721 -2.936
28 HB2 HIS 5 HB2 HIS 5 -13.114 4.666 -5.408
29 HB3 HIS 5 HB3 HIS 5 -13.949 3.273 -4.727
30 HD1 HIS 5 HD1 HIS 5 -16.722 3.997 -4.303
31 HD2 HIS 5 HD2 HIS 5 -14.610 5.692 -7.474
32 HE1 HIS 5 HE1 HIS 5 -18.453 4.828 -5.954
33 H ALA 6 HN ALA 6 -12.790 6.372 -1.696
34 HA ALA 6 HA ALA 6 -10.865 6.123 -0.367
35 HB1 ALA 6 HB1 ALA 6 -11.007 4.188 0.849
36 HB2 ALA 6 HB2 ALA 6 -10.961 3.169 -0.589
37 HB3 ALA 6 HB3 ALA 6 -12.474 3.926 -0.094
38 H ARG 7 HN ARG 7 -9.898 6.875 -2.615
39 HA ARG 7 HA ARG 7 -8.553 5.170 -4.407
40 HB2 ARG 7 HB2 ARG 7 -8.856 7.853 -4.043
41 HB3 ARG 7 HB3 ARG 7 -7.157 7.663 -3.613
42 HG2 ARG 7 HG2 ARG 7 -6.934 6.298 -5.781
43 HG3 ARG 7 HG3 ARG 7 -8.512 6.956 -6.218
44 HD2 ARG 7 HD2 ARG 7 -7.210 8.635 -7.122
45 HD3 ARG 7 HD3 ARG 7 -7.250 9.244 -5.456
46 HE ARG 7 HE ARG 7 -4.973 7.854 -6.729
47 HH11 ARG 7 HH11 ARG 7 -4.933 10.393 -4.995
48 HH12 ARG 7 HH12 ARG 7 -4.190 9.790 -3.552
49 HH21 ARG 7 HH21 ARG 7 -4.694 6.449 -4.376
50 HH22 ARG 7 HH22 ARG 7 -4.056 7.548 -3.200
51 HA PRO 8 HA PRO 8 -4.637 5.322 -1.625
52 HB2 PRO 8 HB2 PRO 8 -4.927 6.161 0.965
53 HB3 PRO 8 HB3 PRO 8 -4.518 7.258 -0.369
54 HG2 PRO 8 HG2 PRO 8 -7.146 6.776 0.947
55 HG3 PRO 8 HG3 PRO 8 -6.428 8.293 0.382
56 HD2 PRO 8 HD2 PRO 8 -8.343 6.953 -1.000
57 HD3 PRO 8 HD3 PRO 8 -7.111 7.965 -1.781
58 H ARG 9 HN ARG 9 -7.771 4.434 -0.330
59 HA ARG 9 HA ARG 9 -6.637 2.265 1.349
60 HB2 ARG 9 HB2 ARG 9 -9.313 3.558 0.879
61 HB3 ARG 9 HB3 ARG 9 -9.250 1.964 1.630
62 HG2 ARG 9 HG2 ARG 9 -7.574 2.918 3.275
63 HG3 ARG 9 HG3 ARG 9 -7.947 4.511 2.616
64 HD2 ARG 9 HD2 ARG 9 -10.468 3.625 3.067
65 HD3 ARG 9 HD3 ARG 9 -9.606 2.756 4.353
66 HE ARG 9 HE ARG 9 -8.577 5.065 4.900
67 HH11 ARG 9 HH11 ARG 9 -11.407 4.673 5.909
68 HH12 ARG 9 HH12 ARG 9 -12.169 6.137 5.386
69 HH21 ARG 9 HH21 ARG 9 -9.658 6.948 3.126
70 HH22 ARG 9 HH22 ARG 9 -11.175 7.431 3.806
71 H TRP 10 HN TRP 10 -9.660 1.592 -0.305
72 HA TRP 10 HA TRP 10 -10.194 -0.230 -1.737
73 HB2 TRP 10 HB2 TRP 10 -8.867 1.522 -3.158
74 HB3 TRP 10 HB3 TRP 10 -7.526 0.384 -3.030
75 HD1 TRP 10 HD1 TRP 10 -11.176 0.523 -4.267
76 HE1 TRP 10 HE1 TRP 10 -11.463 -1.228 -6.137
77 HE3 TRP 10 HE3 TRP 10 -6.570 -1.674 -4.132
78 HZ2 TRP 10 HZ2 TRP 10 -9.938 -3.288 -7.408
79 HZ3 TRP 10 HZ3 TRP 10 -6.012 -3.525 -5.681
80 HH2 TRP 10 HH2 TRP 10 -7.689 -4.335 -7.318
81 H PHE 11 HN PHE 11 -9.484 -1.276 0.502
82 HA PHE 11 HA PHE 11 -8.465 -3.124 1.571
83 HB2 PHE 11 HB2 PHE 11 -8.561 -3.698 -1.208
84 HB3 PHE 11 HB3 PHE 11 -6.923 -4.102 -0.694
85 HD1 PHE 11 HD2 PHE 11 -6.518 -5.832 0.994
86 HD2 PHE 11 HD1 PHE 11 -10.498 -4.871 -0.301
87 HE1 PHE 11 HE2 PHE 11 -7.362 -7.912 2.047
88 HE2 PHE 11 HE1 PHE 11 -11.343 -6.951 0.750
89 HZ PHE 11 HZ PHE 11 -9.775 -8.472 1.924
90 H TRP 12 HN TRP 12 -7.275 -0.420 1.154
91 HA TRP 12 HA TRP 12 -5.272 0.770 1.395
92 HB2 TRP 12 HB2 TRP 12 -5.103 -1.700 3.079
93 HB3 TRP 12 HB3 TRP 12 -3.732 -0.594 3.032
94 HD1 TRP 12 HD1 TRP 12 -4.369 2.059 3.583
95 HE1 TRP 12 HE1 TRP 12 -6.038 2.979 5.321
96 HE3 TRP 12 HE3 TRP 12 -7.220 -2.104 4.348
97 HZ2 TRP 12 HZ2 TRP 12 -8.291 2.065 6.831
98 HZ3 TRP 12 HZ3 TRP 12 -9.122 -2.053 5.935
99 HH2 TRP 12 HH2 TRP 12 -9.661 0.025 7.177
100 H PHE 13 HN PHE 13 -5.382 -0.530 -1.042
101 HA PHE 13 HA PHE 13 -2.938 -2.054 -1.548
102 HB2 PHE 13 HB2 PHE 13 -5.044 -2.401 -2.791
103 HB3 PHE 13 HB3 PHE 13 -4.994 -0.728 -3.348
104 HD1 PHE 13 HD2 PHE 13 -3.379 -4.049 -3.601
105 HD2 PHE 13 HD1 PHE 13 -3.473 -0.021 -5.093
106 HE1 PHE 13 HE2 PHE 13 -1.942 -4.721 -5.507
107 HE2 PHE 13 HE1 PHE 13 -2.036 -0.695 -6.999
108 HZ PHE 13 HZ PHE 13 -1.270 -3.044 -7.206
109 H SER 14 HN SER 14 -4.140 1.184 -2.377
110 HA SER 14 HA SER 14 -1.732 2.143 -3.611
111 HB2 SER 14 HB2 SER 14 -4.071 3.481 -2.233
112 HB3 SER 14 HB3 SER 14 -2.815 4.389 -3.071
113 HG SER 14 HG SER 14 -4.917 3.458 -4.165
114 H LEU 15 HN LEU 15 -2.891 2.092 -0.292
115 HA LEU 15 HA LEU 15 -0.826 3.746 0.865
116 HB2 LEU 15 HB2 LEU 15 -3.126 2.987 1.775
117 HB3 LEU 15 HB3 LEU 15 -2.332 1.470 2.190
118 HG LEU 15 HG LEU 15 -2.451 3.251 4.035
119 HD11 LEU 15 HD11 LEU 15 -0.690 1.260 3.596
120 HD12 LEU 15 HD12 LEU 15 -0.585 2.331 4.993
121 HD13 LEU 15 HD13 LEU 15 0.421 2.630 3.576
122 HD21 LEU 15 HD21 LEU 15 -0.060 4.468 2.676
123 HD22 LEU 15 HD22 LEU 15 -1.099 5.155 3.924
124 HD23 LEU 15 HD23 LEU 15 -1.678 5.036 2.262
125 H LEU 16 HN LEU 16 -1.168 0.223 0.356
126 HA LEU 16 HA LEU 16 1.259 -0.572 1.660
127 HB2 LEU 16 HB2 LEU 16 -0.817 -1.908 0.787
128 HB3 LEU 16 HB3 LEU 16 0.063 -1.950 -0.739
129 HG LEU 16 HG LEU 16 1.594 -2.688 1.709
130 HD11 LEU 16 HD11 LEU 16 -0.525 -4.458 0.452
131 HD12 LEU 16 HD12 LEU 16 -0.490 -3.881 2.118
132 HD13 LEU 16 HD13 LEU 16 0.725 -5.030 1.558
133 HD21 LEU 16 HD21 LEU 16 1.525 -3.308 -1.213
134 HD22 LEU 16 HD22 LEU 16 2.159 -4.552 -0.134
135 HD23 LEU 16 HD23 LEU 16 2.903 -2.953 -0.173
136 H LEU 17 HN LEU 17 0.537 0.383 -1.662
137 HA LEU 17 HA LEU 17 3.077 -0.172 -2.842
138 HB2 LEU 17 HB2 LEU 17 0.762 0.534 -3.834
139 HB3 LEU 17 HB3 LEU 17 1.335 2.181 -3.567
140 HG LEU 17 HG LEU 17 3.280 0.388 -4.891
141 HD11 LEU 17 HD11 LEU 17 0.969 -0.228 -5.840
142 HD12 LEU 17 HD12 LEU 17 2.193 0.284 -7.002
143 HD13 LEU 17 HD13 LEU 17 0.932 1.408 -6.498
144 HD21 LEU 17 HD21 LEU 17 2.263 3.047 -5.873
145 HD22 LEU 17 HD22 LEU 17 3.886 2.368 -5.994
146 HD23 LEU 17 HD23 LEU 17 3.298 2.975 -4.447
147 H LEU 18 HN LEU 18 1.850 2.594 -1.053
148 HA LEU 18 HA LEU 18 4.147 4.312 -1.425
149 HB2 LEU 18 HB2 LEU 18 1.683 4.798 -0.698
150 HB3 LEU 18 HB3 LEU 18 2.250 4.377 0.919
151 HG LEU 18 HG LEU 18 3.982 6.263 -0.573
152 HD11 LEU 18 HD11 LEU 18 2.523 8.189 -0.136
153 HD12 LEU 18 HD12 LEU 18 1.269 7.115 0.485
154 HD13 LEU 18 HD13 LEU 18 1.720 7.051 -1.219
155 HD21 LEU 18 HD21 LEU 18 4.353 7.145 1.581
156 HD22 LEU 18 HD22 LEU 18 4.098 5.428 1.894
157 HD23 LEU 18 HD23 LEU 18 2.793 6.579 2.181
158 H ALA 19 HN ALA 19 3.199 1.910 0.966
159 HA ALA 19 HA ALA 19 5.338 2.426 2.857
160 HB1 ALA 19 HB1 ALA 19 3.049 1.167 3.062
161 HB2 ALA 19 HB2 ALA 19 4.434 0.547 3.961
162 HB3 ALA 19 HB3 ALA 19 3.949 -0.221 2.449
163 H ALA 20 HN ALA 20 4.958 0.286 0.043
164 HA ALA 20 HA ALA 20 7.353 -1.268 0.420
165 HB1 ALA 20 HB1 ALA 20 5.624 -2.052 -1.036
166 HB2 ALA 20 HB2 ALA 20 6.972 -1.639 -2.095
167 HB3 ALA 20 HB3 ALA 20 5.603 -0.538 -1.941
168 H GLY 21 HN GLY 21 6.689 1.780 -1.325
169 HA2 GLY 21 HA2 GLY 21 9.275 2.038 -2.542
170 HA3 GLY 21 HA3 GLY 21 8.154 3.369 -2.246
171 H VAL 22 HN VAL 22 7.939 3.365 0.503
172 HA VAL 22 HA VAL 22 10.355 4.685 1.354
173 HB VAL 22 HB VAL 22 7.961 3.554 2.851
174 HG11 VAL 22 HG11 VAL 22 10.109 5.498 3.759
175 HG12 VAL 22 HG12 VAL 22 9.824 3.880 4.403
176 HG13 VAL 22 HG13 VAL 22 8.626 5.150 4.650
177 HG21 VAL 22 HG21 VAL 22 7.595 5.356 1.086
178 HG22 VAL 22 HG22 VAL 22 8.579 6.422 2.089
179 HG23 VAL 22 HG23 VAL 22 7.059 5.777 2.711
180 H GLY 23 HN GLY 23 9.045 1.410 1.926
181 HA2 GLY 23 HA2 GLY 23 11.060 0.556 3.780
182 HA3 GLY 23 HA3 GLY 23 10.050 -0.516 2.811
183 H ILE 24 HN ILE 24 10.807 0.244 0.221
184 HA ILE 24 HA ILE 24 13.269 -1.211 -0.132
185 HB ILE 24 HB ILE 24 11.468 0.510 -1.847
186 HG12 ILE 24 HG12 ILE 24 12.276 -2.389 -2.164
187 HG13 ILE 24 HG13 ILE 24 10.950 -1.898 -1.110
188 HG21 ILE 24 HG21 ILE 24 13.488 0.978 -2.944
189 HG22 ILE 24 HG22 ILE 24 12.942 -0.479 -3.774
190 HG23 ILE 24 HG23 ILE 24 14.188 -0.588 -2.532
191 HD11 ILE 24 HD11 ILE 24 10.813 -2.359 -3.882
192 HD12 ILE 24 HD12 ILE 24 10.728 -0.607 -3.699
193 HD13 ILE 24 HD13 ILE 24 9.564 -1.639 -2.867
194 H TYR 25 HN TYR 25 12.541 2.298 0.001
195 HA TYR 25 HA TYR 25 15.155 3.202 -0.799
196 HB2 TYR 25 HB2 TYR 25 12.830 4.418 -0.429
197 HB3 TYR 25 HB3 TYR 25 13.466 4.680 1.196
198 HD1 TYR 25 HD1 TYR 25 15.679 5.852 1.494
199 HD2 TYR 25 HD2 TYR 25 13.690 5.622 -2.307
200 HE1 TYR 25 HE1 TYR 25 17.088 7.707 0.643
201 HE2 TYR 25 HE2 TYR 25 15.098 7.478 -3.157
202 HH TYR 25 HH TYR 25 16.510 9.571 -1.608
203 H LEU 26 HN LEU 26 13.877 1.950 2.221
204 HA LEU 26 HA LEU 26 16.120 2.854 3.878
205 HB2 LEU 26 HB2 LEU 26 13.578 1.391 4.120
206 HB3 LEU 26 HB3 LEU 26 14.849 0.713 5.134
207 HG LEU 26 HG LEU 26 13.615 2.434 6.370
208 HD11 LEU 26 HD11 LEU 26 15.478 3.523 7.253
209 HD12 LEU 26 HD12 LEU 26 16.222 3.753 5.671
210 HD13 LEU 26 HD13 LEU 26 16.231 2.159 6.428
211 HD21 LEU 26 HD21 LEU 26 14.441 4.216 4.058
212 HD22 LEU 26 HD22 LEU 26 13.787 4.820 5.580
213 HD23 LEU 26 HD23 LEU 26 12.798 3.797 4.540
214 H LEU 27 HN LEU 27 15.312 0.100 1.853
215 HA LEU 27 HA LEU 27 17.968 -1.137 2.490
216 HB2 LEU 27 HB2 LEU 27 15.684 -2.130 3.397
217 HB3 LEU 27 HB3 LEU 27 15.540 -2.747 1.750
218 HG LEU 27 HG LEU 27 17.970 -3.608 2.089
219 HD11 LEU 27 HD11 LEU 27 18.607 -4.028 4.405
220 HD12 LEU 27 HD12 LEU 27 17.106 -3.304 4.983
221 HD13 LEU 27 HD13 LEU 27 18.322 -2.299 4.194
222 HD21 LEU 27 HD21 LEU 27 17.136 -5.695 2.839
223 HD22 LEU 27 HD22 LEU 27 15.736 -4.922 2.096
224 HD23 LEU 27 HD23 LEU 27 15.907 -4.937 3.851
225 HA PRO 28 HA PRO 28 17.187 -0.843 -2.108
226 HB2 PRO 28 HB2 PRO 28 18.432 1.509 -2.756
227 HB3 PRO 28 HB3 PRO 28 16.722 1.404 -2.298
228 HG2 PRO 28 HG2 PRO 28 18.951 2.541 -0.819
229 HG3 PRO 28 HG3 PRO 28 17.217 2.714 -0.550
230 HD2 PRO 28 HD2 PRO 28 19.095 0.994 0.831
231 HD3 PRO 28 HD3 PRO 28 17.399 1.319 1.208
232 H ASN 29 HN ASN 29 20.031 -0.301 -0.129
233 HA ASN 29 HA ASN 29 22.054 -0.639 -2.162
234 HB2 ASN 29 HB2 ASN 29 21.985 -1.093 0.840
235 HB3 ASN 29 HB3 ASN 29 23.464 -1.145 -0.120
236 HD21 ASN 29 HD21 ASN 29 21.637 0.933 1.766
237 HD22 ASN 29 HD22 ASN 29 22.143 2.412 1.104
238 H ARG 30 HN ARG 30 20.280 -2.912 -0.074
239 HA ARG 30 HA ARG 30 20.048 -5.252 -0.176
240 HB2 ARG 30 HB2 ARG 30 20.102 -4.235 -2.758
241 HB3 ARG 30 HB3 ARG 30 21.312 -5.517 -2.816
242 HG2 ARG 30 HG2 ARG 30 19.336 -6.673 -3.313
243 HG3 ARG 30 HG3 ARG 30 19.503 -6.939 -1.576
244 HD2 ARG 30 HD2 ARG 30 17.608 -5.765 -1.118
245 HD3 ARG 30 HD3 ARG 30 18.064 -4.452 -2.223
246 HE ARG 30 HE ARG 30 17.268 -5.912 -4.102
247 HH11 ARG 30 HH11 ARG 30 14.871 -5.205 -2.474
248 HH12 ARG 30 HH12 ARG 30 14.132 -6.749 -2.208
249 HH21 ARG 30 HH21 ARG 30 16.986 -8.548 -3.059
250 HH22 ARG 30 HH22 ARG 30 15.336 -8.653 -2.543
Start of MODEL 24
1 HA HIS 1 HA HIS 1 -18.570 -2.661 15.251
2 HB2 HIS 1 HB2 HIS 1 -20.148 -0.465 13.877
3 HB3 HIS 1 HB3 HIS 1 -20.177 -2.140 13.329
4 HD1 HIS 1 HD1 HIS 1 -21.113 -3.933 15.087
5 HD2 HIS 1 HD2 HIS 1 -21.751 0.058 16.108
6 HE1 HIS 1 HE1 HIS 1 -22.864 -3.932 16.916
7 H SER 2 HN SER 2 -16.893 -3.450 14.023
8 HA SER 2 HA SER 2 -15.819 -1.720 11.812
9 HB2 SER 2 HB2 SER 2 -14.556 -2.359 14.142
10 HB3 SER 2 HB3 SER 2 -14.045 -3.703 13.125
11 HG SER 2 HG SER 2 -13.085 -2.312 11.755
12 H VAL 3 HN VAL 3 -17.857 -4.006 11.797
13 HA VAL 3 HA VAL 3 -16.349 -5.880 9.996
14 HB VAL 3 HB VAL 3 -18.891 -6.413 11.573
15 HG11 VAL 3 HG11 VAL 3 -17.675 -8.810 11.197
16 HG12 VAL 3 HG12 VAL 3 -17.134 -7.964 9.747
17 HG13 VAL 3 HG13 VAL 3 -18.858 -8.143 10.072
18 HG21 VAL 3 HG21 VAL 3 -17.304 -6.086 13.281
19 HG22 VAL 3 HG22 VAL 3 -15.982 -6.729 12.307
20 HG23 VAL 3 HG23 VAL 3 -17.194 -7.820 12.979
21 H SER 4 HN SER 4 -17.236 -3.550 8.825
22 HA SER 4 HA SER 4 -19.940 -3.895 7.724
23 HB2 SER 4 HB2 SER 4 -18.966 -1.684 8.261
24 HB3 SER 4 HB3 SER 4 -17.684 -1.970 7.088
25 HG SER 4 HG SER 4 -19.675 -0.735 6.435
26 H HIS 5 HN HIS 5 -16.608 -4.153 6.590
27 HA HIS 5 HA HIS 5 -17.546 -5.835 4.304
28 HB2 HIS 5 HB2 HIS 5 -15.950 -3.284 4.304
29 HB3 HIS 5 HB3 HIS 5 -15.656 -4.483 3.044
30 HD1 HIS 5 HD1 HIS 5 -18.029 -5.355 1.849
31 HD2 HIS 5 HD2 HIS 5 -18.043 -1.604 3.671
32 HE1 HIS 5 HE1 HIS 5 -20.019 -4.104 0.902
33 H ALA 6 HN ALA 6 -16.145 -6.377 6.937
34 HA ALA 6 HA ALA 6 -14.333 -7.648 7.747
35 HB1 ALA 6 HB1 ALA 6 -13.628 -9.405 6.148
36 HB2 ALA 6 HB2 ALA 6 -14.388 -8.507 4.834
37 HB3 ALA 6 HB3 ALA 6 -15.378 -9.189 6.124
38 H ARG 7 HN ARG 7 -13.528 -5.065 7.292
39 HA ARG 7 HA ARG 7 -11.644 -3.710 6.882
40 HB2 ARG 7 HB2 ARG 7 -10.618 -6.510 7.285
41 HB3 ARG 7 HB3 ARG 7 -9.482 -5.225 6.874
42 HG2 ARG 7 HG2 ARG 7 -10.753 -3.923 8.798
43 HG3 ARG 7 HG3 ARG 7 -11.161 -5.553 9.333
44 HD2 ARG 7 HD2 ARG 7 -8.731 -6.144 9.296
45 HD3 ARG 7 HD3 ARG 7 -8.362 -4.459 8.877
46 HE ARG 7 HE ARG 7 -9.104 -3.779 11.061
47 HH11 ARG 7 HH11 ARG 7 -11.477 -5.461 11.464
48 HH12 ARG 7 HH12 ARG 7 -10.958 -6.609 12.651
49 HH21 ARG 7 HH21 ARG 7 -7.574 -5.983 12.152
50 HH22 ARG 7 HH22 ARG 7 -8.738 -6.906 13.042
51 HA PRO 8 HA PRO 8 -11.759 -4.777 2.362
52 HB2 PRO 8 HB2 PRO 8 -12.659 -2.324 1.537
53 HB3 PRO 8 HB3 PRO 8 -13.744 -3.645 2.018
54 HG2 PRO 8 HG2 PRO 8 -12.862 -1.262 3.567
55 HG3 PRO 8 HG3 PRO 8 -14.450 -2.039 3.501
56 HD2 PRO 8 HD2 PRO 8 -12.696 -2.393 5.548
57 HD3 PRO 8 HD3 PRO 8 -13.885 -3.618 5.060
58 H ARG 9 HN ARG 9 -10.177 -4.134 0.857
59 HA ARG 9 HA ARG 9 -8.073 -2.284 1.908
60 HB2 ARG 9 HB2 ARG 9 -8.128 -4.556 -0.096
61 HB3 ARG 9 HB3 ARG 9 -6.711 -3.538 0.151
62 HG2 ARG 9 HG2 ARG 9 -6.740 -4.144 2.573
63 HG3 ARG 9 HG3 ARG 9 -8.085 -5.239 2.253
64 HD2 ARG 9 HD2 ARG 9 -6.720 -6.599 0.779
65 HD3 ARG 9 HD3 ARG 9 -5.386 -5.434 0.872
66 HE ARG 9 HE ARG 9 -5.222 -5.970 3.308
67 HH11 ARG 9 HH11 ARG 9 -4.465 -8.478 1.928
68 HH12 ARG 9 HH12 ARG 9 -5.490 -9.656 2.674
69 HH21 ARG 9 HH21 ARG 9 -7.679 -7.294 3.993
70 HH22 ARG 9 HH22 ARG 9 -7.319 -8.983 3.849
71 H TRP 10 HN TRP 10 -10.653 -1.638 0.254
72 HA TRP 10 HA TRP 10 -10.283 -0.902 -2.360
73 HB2 TRP 10 HB2 TRP 10 -11.645 1.244 -1.626
74 HB3 TRP 10 HB3 TRP 10 -12.365 -0.352 -1.534
75 HD1 TRP 10 HD1 TRP 10 -9.867 0.358 1.215
76 HE1 TRP 10 HE1 TRP 10 -11.121 0.785 3.422
77 HE3 TRP 10 HE3 TRP 10 -14.649 0.748 -0.544
78 HZ2 TRP 10 HZ2 TRP 10 -13.794 1.242 4.326
79 HZ3 TRP 10 HZ3 TRP 10 -16.526 1.183 1.013
80 HH2 TRP 10 HH2 TRP 10 -16.106 1.430 3.443
81 H PHE 11 HN PHE 11 -9.912 1.907 -0.182
82 HA PHE 11 HA PHE 11 -7.875 3.015 -1.974
83 HB2 PHE 11 HB2 PHE 11 -9.209 3.942 0.588
84 HB3 PHE 11 HB3 PHE 11 -8.083 4.933 -0.339
85 HD1 PHE 11 HD2 PHE 11 -8.620 5.298 -2.855
86 HD2 PHE 11 HD1 PHE 11 -11.492 3.906 0.020
87 HE1 PHE 11 HE2 PHE 11 -10.464 5.983 -4.366
88 HE2 PHE 11 HE1 PHE 11 -13.336 4.590 -1.491
89 HZ PHE 11 HZ PHE 11 -12.822 5.629 -3.683
90 H TRP 12 HN TRP 12 -7.296 0.579 -0.105
91 HA TRP 12 HA TRP 12 -5.060 1.741 1.483
92 HB2 TRP 12 HB2 TRP 12 -6.446 0.396 2.838
93 HB3 TRP 12 HB3 TRP 12 -6.699 -0.785 1.556
94 HD1 TRP 12 HD1 TRP 12 -5.345 -2.908 1.779
95 HE1 TRP 12 HE1 TRP 12 -3.171 -3.605 2.970
96 HE3 TRP 12 HE3 TRP 12 -3.913 1.598 3.708
97 HZ2 TRP 12 HZ2 TRP 12 -1.094 -2.412 4.532
98 HZ3 TRP 12 HZ3 TRP 12 -1.833 1.788 5.042
99 HH2 TRP 12 HH2 TRP 12 -0.423 -0.208 5.456
100 H PHE 13 HN PHE 13 -5.749 -0.244 -1.294
101 HA PHE 13 HA PHE 13 -3.362 -1.742 -1.556
102 HB2 PHE 13 HB2 PHE 13 -5.205 -2.155 -3.020
103 HB3 PHE 13 HB3 PHE 13 -5.268 -0.467 -3.526
104 HD1 PHE 13 HD2 PHE 13 -2.934 -3.406 -3.505
105 HD2 PHE 13 HD1 PHE 13 -4.209 0.173 -5.511
106 HE1 PHE 13 HE2 PHE 13 -1.384 -3.902 -5.375
107 HE2 PHE 13 HE1 PHE 13 -2.658 -0.324 -7.381
108 HZ PHE 13 HZ PHE 13 -1.245 -2.361 -7.313
109 H SER 14 HN SER 14 -4.091 1.530 -2.710
110 HA SER 14 HA SER 14 -1.527 2.088 -3.860
111 HB2 SER 14 HB2 SER 14 -2.368 4.498 -3.481
112 HB3 SER 14 HB3 SER 14 -3.393 3.448 -4.456
113 HG SER 14 HG SER 14 -4.025 4.718 -2.236
114 H LEU 15 HN LEU 15 -2.851 2.533 -0.624
115 HA LEU 15 HA LEU 15 -0.614 3.977 0.499
116 HB2 LEU 15 HB2 LEU 15 -3.174 3.136 1.255
117 HB3 LEU 15 HB3 LEU 15 -2.101 2.242 2.331
118 HG LEU 15 HG LEU 15 -0.936 4.424 2.845
119 HD11 LEU 15 HD11 LEU 15 -2.453 6.458 2.345
120 HD12 LEU 15 HD12 LEU 15 -3.208 5.430 1.128
121 HD13 LEU 15 HD13 LEU 15 -1.491 5.819 1.013
122 HD21 LEU 15 HD21 LEU 15 -3.868 4.017 3.466
123 HD22 LEU 15 HD22 LEU 15 -2.929 5.315 4.204
124 HD23 LEU 15 HD23 LEU 15 -2.477 3.633 4.480
125 H LEU 16 HN LEU 16 -1.465 0.507 0.342
126 HA LEU 16 HA LEU 16 0.742 -0.478 1.884
127 HB2 LEU 16 HB2 LEU 16 -1.478 -1.565 0.947
128 HB3 LEU 16 HB3 LEU 16 -0.464 -1.958 -0.440
129 HG LEU 16 HG LEU 16 0.439 -2.606 2.365
130 HD11 LEU 16 HD11 LEU 16 -1.088 -4.242 2.572
131 HD12 LEU 16 HD12 LEU 16 -0.605 -4.916 1.015
132 HD13 LEU 16 HD13 LEU 16 -1.865 -3.685 1.090
133 HD21 LEU 16 HD21 LEU 16 1.366 -4.561 0.739
134 HD22 LEU 16 HD22 LEU 16 2.236 -3.049 1.003
135 HD23 LEU 16 HD23 LEU 16 1.230 -3.248 -0.432
136 H LEU 17 HN LEU 17 0.356 0.213 -1.555
137 HA LEU 17 HA LEU 17 2.863 -0.811 -2.478
138 HB2 LEU 17 HB2 LEU 17 0.718 0.054 -3.710
139 HB3 LEU 17 HB3 LEU 17 1.500 1.632 -3.599
140 HG LEU 17 HG LEU 17 3.256 -0.546 -4.553
141 HD11 LEU 17 HD11 LEU 17 0.980 -1.044 -5.591
142 HD12 LEU 17 HD12 LEU 17 2.290 -0.747 -6.734
143 HD13 LEU 17 HD13 LEU 17 1.107 0.518 -6.401
144 HD21 LEU 17 HD21 LEU 17 2.655 2.052 -5.947
145 HD22 LEU 17 HD22 LEU 17 4.184 1.179 -5.835
146 HD23 LEU 17 HD23 LEU 17 3.570 2.065 -4.439
147 H LEU 18 HN LEU 18 1.901 2.292 -1.124
148 HA LEU 18 HA LEU 18 4.403 3.670 -1.521
149 HB2 LEU 18 HB2 LEU 18 1.951 4.458 -0.922
150 HB3 LEU 18 HB3 LEU 18 2.503 4.236 0.738
151 HG LEU 18 HG LEU 18 4.240 5.777 -1.161
152 HD11 LEU 18 HD11 LEU 18 1.839 6.923 0.300
153 HD12 LEU 18 HD12 LEU 18 1.965 6.721 -1.447
154 HD13 LEU 18 HD13 LEU 18 3.034 7.847 -0.610
155 HD21 LEU 18 HD21 LEU 18 4.380 7.076 1.161
156 HD22 LEU 18 HD22 LEU 18 5.288 5.586 0.901
157 HD23 LEU 18 HD23 LEU 18 3.766 5.546 1.789
158 H ALA 19 HN ALA 19 3.076 1.675 1.069
159 HA ALA 19 HA ALA 19 5.144 2.124 3.024
160 HB1 ALA 19 HB1 ALA 19 3.530 -0.406 2.626
161 HB2 ALA 19 HB2 ALA 19 2.798 1.076 3.242
162 HB3 ALA 19 HB3 ALA 19 4.094 0.293 4.144
163 H ALA 20 HN ALA 20 4.760 -0.246 0.390
164 HA ALA 20 HA ALA 20 7.047 -1.875 0.988
165 HB1 ALA 20 HB1 ALA 20 6.773 -2.147 -1.665
166 HB2 ALA 20 HB2 ALA 20 5.267 -1.287 -1.346
167 HB3 ALA 20 HB3 ALA 20 5.589 -2.826 -0.548
168 H GLY 21 HN GLY 21 6.645 1.089 -0.954
169 HA2 GLY 21 HA2 GLY 21 9.319 1.151 -2.013
170 HA3 GLY 21 HA3 GLY 21 8.231 2.535 -1.906
171 H VAL 22 HN VAL 22 7.840 2.458 0.949
172 HA VAL 22 HA VAL 22 10.048 4.027 1.870
173 HB VAL 22 HB VAL 22 7.897 2.455 3.338
174 HG11 VAL 22 HG11 VAL 22 9.734 4.669 4.303
175 HG12 VAL 22 HG12 VAL 22 9.696 3.006 4.887
176 HG13 VAL 22 HG13 VAL 22 8.330 4.079 5.192
177 HG21 VAL 22 HG21 VAL 22 7.652 4.614 1.616
178 HG22 VAL 22 HG22 VAL 22 7.717 5.383 3.203
179 HG23 VAL 22 HG23 VAL 22 6.486 4.167 2.862
180 H GLY 23 HN GLY 23 9.223 0.584 2.418
181 HA2 GLY 23 HA2 GLY 23 11.451 -0.018 4.119
182 HA3 GLY 23 HA3 GLY 23 10.534 -1.204 3.190
183 H ILE 24 HN ILE 24 11.005 -0.298 0.580
184 HA ILE 24 HA ILE 24 13.620 -1.386 0.027
185 HB ILE 24 HB ILE 24 11.553 0.167 -1.570
186 HG12 ILE 24 HG12 ILE 24 12.437 -2.723 -1.799
187 HG13 ILE 24 HG13 ILE 24 11.125 -2.212 -0.737
188 HG21 ILE 24 HG21 ILE 24 12.876 -0.699 -3.580
189 HG22 ILE 24 HG22 ILE 24 14.201 -1.005 -2.457
190 HG23 ILE 24 HG23 ILE 24 13.610 0.639 -2.697
191 HD11 ILE 24 HD11 ILE 24 10.105 -2.888 -2.805
192 HD12 ILE 24 HD12 ILE 24 11.263 -1.951 -3.751
193 HD13 ILE 24 HD13 ILE 24 10.052 -1.125 -2.769
194 H TYR 25 HN TYR 25 12.396 1.958 0.350
195 HA TYR 25 HA TYR 25 14.730 3.304 -0.642
196 HB2 TYR 25 HB2 TYR 25 12.387 4.210 -0.086
197 HB3 TYR 25 HB3 TYR 25 12.927 4.260 1.593
198 HD1 TYR 25 HD1 TYR 25 13.449 5.636 -1.795
199 HD2 TYR 25 HD2 TYR 25 14.633 5.827 2.330
200 HE1 TYR 25 HE1 TYR 25 14.623 7.777 -2.230
201 HE2 TYR 25 HE2 TYR 25 15.804 7.968 1.895
202 HH TYR 25 HH TYR 25 15.332 9.919 -0.253
203 H LEU 26 HN LEU 26 14.016 1.718 2.413
204 HA LEU 26 HA LEU 26 16.281 2.885 3.864
205 HB2 LEU 26 HB2 LEU 26 14.288 0.649 4.294
206 HB3 LEU 26 HB3 LEU 26 15.617 0.911 5.422
207 HG LEU 26 HG LEU 26 14.018 3.305 4.657
208 HD11 LEU 26 HD11 LEU 26 12.176 2.796 6.066
209 HD12 LEU 26 HD12 LEU 26 12.982 1.381 6.745
210 HD13 LEU 26 HD13 LEU 26 12.398 1.351 5.081
211 HD21 LEU 26 HD21 LEU 26 14.407 3.817 7.055
212 HD22 LEU 26 HD22 LEU 26 15.915 3.449 6.218
213 HD23 LEU 26 HD23 LEU 26 15.166 2.237 7.258
214 H LEU 27 HN LEU 27 15.701 0.182 1.715
215 HA LEU 27 HA LEU 27 18.556 -0.670 2.027
216 HB2 LEU 27 HB2 LEU 27 16.622 -2.069 3.140
217 HB3 LEU 27 HB3 LEU 27 16.312 -2.605 1.487
218 HG LEU 27 HG LEU 27 18.962 -2.969 1.509
219 HD11 LEU 27 HD11 LEU 27 19.041 -2.059 3.889
220 HD12 LEU 27 HD12 LEU 27 19.810 -3.628 3.652
221 HD13 LEU 27 HD13 LEU 27 18.211 -3.532 4.387
222 HD21 LEU 27 HD21 LEU 27 17.014 -4.881 2.837
223 HD22 LEU 27 HD22 LEU 27 18.541 -5.318 2.069
224 HD23 LEU 27 HD23 LEU 27 17.212 -4.690 1.095
225 HA PRO 28 HA PRO 28 17.223 -0.321 -2.432
226 HB2 PRO 28 HB2 PRO 28 18.002 2.231 -3.058
227 HB3 PRO 28 HB3 PRO 28 16.394 1.827 -2.429
228 HG2 PRO 28 HG2 PRO 28 18.566 3.251 -1.126
229 HG3 PRO 28 HG3 PRO 28 16.872 3.111 -0.657
230 HD2 PRO 28 HD2 PRO 28 19.166 1.665 0.378
231 HD3 PRO 28 HD3 PRO 28 17.503 1.698 0.980
232 H ASN 29 HN ASN 29 20.163 0.578 -0.740
233 HA ASN 29 HA ASN 29 21.827 0.207 -3.185
234 HB2 ASN 29 HB2 ASN 29 22.144 1.368 -0.438
235 HB3 ASN 29 HB3 ASN 29 23.591 0.821 -1.285
236 HD21 ASN 29 HD21 ASN 29 24.448 2.220 -2.866
237 HD22 ASN 29 HD22 ASN 29 23.651 3.602 -3.447
238 H ARG 30 HN ARG 30 20.441 -1.857 -1.031
239 HA ARG 30 HA ARG 30 22.739 -3.767 -1.174
240 HB2 ARG 30 HB2 ARG 30 22.136 -2.453 1.084
241 HB3 ARG 30 HB3 ARG 30 20.933 -3.737 1.212
242 HG2 ARG 30 HG2 ARG 30 22.730 -4.765 2.253
243 HG3 ARG 30 HG3 ARG 30 23.003 -5.280 0.589
244 HD2 ARG 30 HD2 ARG 30 24.860 -3.943 0.342
245 HD3 ARG 30 HD3 ARG 30 24.194 -2.657 1.367
246 HE ARG 30 HE ARG 30 25.504 -5.140 2.363
247 HH11 ARG 30 HH11 ARG 30 23.315 -4.353 4.199
248 HH12 ARG 30 HH12 ARG 30 24.096 -3.242 5.275
249 HH21 ARG 30 HH21 ARG 30 26.817 -2.720 3.173
250 HH22 ARG 30 HH22 ARG 30 26.088 -2.313 4.691
Start of MODEL 25
1 HA HIS 1 HA HIS 1 -26.880 -4.084 1.638
2 HB2 HIS 1 HB2 HIS 1 -29.269 -4.092 -0.163
3 HB3 HIS 1 HB3 HIS 1 -28.493 -5.640 0.167
4 HD1 HIS 1 HD1 HIS 1 -28.891 -6.681 2.440
5 HD2 HIS 1 HD2 HIS 1 -30.207 -2.728 2.263
6 HE1 HIS 1 HE1 HIS 1 -30.140 -6.244 4.598
7 H SER 2 HN SER 2 -25.295 -2.742 -0.451
8 HA SER 2 HA SER 2 -24.506 -5.143 -2.071
9 HB2 SER 2 HB2 SER 2 -24.008 -3.475 -3.888
10 HB3 SER 2 HB3 SER 2 -25.715 -3.549 -3.458
11 HG SER 2 HG SER 2 -24.826 -1.391 -3.607
12 H VAL 3 HN VAL 3 -23.393 -4.095 0.506
13 HA VAL 3 HA VAL 3 -21.305 -3.567 1.475
14 HB VAL 3 HB VAL 3 -20.344 -4.763 -1.150
15 HG11 VAL 3 HG11 VAL 3 -18.367 -4.228 -0.123
16 HG12 VAL 3 HG12 VAL 3 -18.691 -5.711 0.775
17 HG13 VAL 3 HG13 VAL 3 -19.100 -4.146 1.479
18 HG21 VAL 3 HG21 VAL 3 -20.438 -6.933 0.143
19 HG22 VAL 3 HG22 VAL 3 -22.021 -6.243 -0.209
20 HG23 VAL 3 HG23 VAL 3 -21.327 -6.079 1.404
21 H SER 4 HN SER 4 -22.436 -1.312 0.285
22 HA SER 4 HA SER 4 -20.412 -0.058 -1.467
23 HB2 SER 4 HB2 SER 4 -23.057 0.087 -1.470
24 HB3 SER 4 HB3 SER 4 -22.774 1.356 -0.281
25 HG SER 4 HG SER 4 -22.295 2.584 -1.910
26 H HIS 5 HN HIS 5 -21.449 0.016 1.871
27 HA HIS 5 HA HIS 5 -19.290 2.014 2.465
28 HB2 HIS 5 HB2 HIS 5 -22.181 1.872 3.185
29 HB3 HIS 5 HB3 HIS 5 -21.083 2.440 4.442
30 HD1 HIS 5 HD1 HIS 5 -20.613 4.882 4.360
31 HD2 HIS 5 HD2 HIS 5 -21.629 3.400 0.598
32 HE1 HIS 5 HE1 HIS 5 -20.632 6.867 2.788
33 H ALA 6 HN ALA 6 -19.168 -0.951 2.539
34 HA ALA 6 HA ALA 6 -18.727 -1.340 5.486
35 HB1 ALA 6 HB1 ALA 6 -19.355 -3.698 5.064
36 HB2 ALA 6 HB2 ALA 6 -19.587 -3.328 3.355
37 HB3 ALA 6 HB3 ALA 6 -20.646 -2.605 4.566
38 H ARG 7 HN ARG 7 -16.763 -0.312 3.574
39 HA ARG 7 HA ARG 7 -14.696 -2.437 3.863
40 HB2 ARG 7 HB2 ARG 7 -14.037 -2.027 1.469
41 HB3 ARG 7 HB3 ARG 7 -15.636 -2.745 1.635
42 HG2 ARG 7 HG2 ARG 7 -15.843 0.140 1.725
43 HG3 ARG 7 HG3 ARG 7 -14.969 -0.355 0.277
44 HD2 ARG 7 HD2 ARG 7 -17.418 -1.926 0.953
45 HD3 ARG 7 HD3 ARG 7 -17.660 -0.278 0.341
46 HE ARG 7 HE ARG 7 -16.284 -2.472 -1.126
47 HH11 ARG 7 HH11 ARG 7 -14.902 0.066 -1.746
48 HH12 ARG 7 HH12 ARG 7 -15.831 0.708 -3.060
49 HH21 ARG 7 HH21 ARG 7 -18.574 -1.349 -2.468
50 HH22 ARG 7 HH22 ARG 7 -17.915 -0.101 -3.475
51 HA PRO 8 HA PRO 8 -13.218 1.766 5.062
52 HB2 PRO 8 HB2 PRO 8 -11.764 0.905 7.218
53 HB3 PRO 8 HB3 PRO 8 -13.494 1.290 7.300
54 HG2 PRO 8 HG2 PRO 8 -12.153 -1.362 7.096
55 HG3 PRO 8 HG3 PRO 8 -13.573 -0.885 8.039
56 HD2 PRO 8 HD2 PRO 8 -13.732 -2.248 5.690
57 HD3 PRO 8 HD3 PRO 8 -15.003 -1.148 6.270
58 H ARG 9 HN ARG 9 -11.563 -1.277 4.428
59 HA ARG 9 HA ARG 9 -8.951 0.116 4.058
60 HB2 ARG 9 HB2 ARG 9 -9.449 -2.102 5.350
61 HB3 ARG 9 HB3 ARG 9 -9.495 -2.828 3.746
62 HG2 ARG 9 HG2 ARG 9 -7.218 -1.475 3.458
63 HG3 ARG 9 HG3 ARG 9 -7.188 -1.623 5.215
64 HD2 ARG 9 HD2 ARG 9 -7.776 -4.161 4.703
65 HD3 ARG 9 HD3 ARG 9 -7.039 -3.782 3.134
66 HE ARG 9 HE ARG 9 -4.994 -3.097 4.337
67 HH11 ARG 9 HH11 ARG 9 -5.252 -5.918 5.148
68 HH12 ARG 9 HH12 ARG 9 -5.173 -5.841 6.876
69 HH21 ARG 9 HH21 ARG 9 -5.853 -2.434 7.014
70 HH22 ARG 9 HH22 ARG 9 -5.514 -3.860 7.936
71 H TRP 10 HN TRP 10 -11.462 0.067 2.124
72 HA TRP 10 HA TRP 10 -10.549 -1.356 -0.240
73 HB2 TRP 10 HB2 TRP 10 -12.543 -0.549 -1.180
74 HB3 TRP 10 HB3 TRP 10 -12.923 -0.588 0.536
75 HD1 TRP 10 HD1 TRP 10 -12.472 1.882 1.841
76 HE1 TRP 10 HE1 TRP 10 -13.082 4.233 0.984
77 HE3 TRP 10 HE3 TRP 10 -12.888 0.917 -3.157
78 HZ2 TRP 10 HZ2 TRP 10 -13.672 5.535 -1.495
79 HZ3 TRP 10 HZ3 TRP 10 -13.474 2.729 -4.741
80 HH2 TRP 10 HH2 TRP 10 -13.867 5.034 -3.918
81 H PHE 11 HN PHE 11 -10.053 1.913 1.002
82 HA PHE 11 HA PHE 11 -8.694 2.691 -1.541
83 HB2 PHE 11 HB2 PHE 11 -10.462 3.967 0.205
84 HB3 PHE 11 HB3 PHE 11 -8.900 4.695 0.581
85 HD1 PHE 11 HD2 PHE 11 -10.756 3.552 -2.487
86 HD2 PHE 11 HD1 PHE 11 -8.358 6.599 -0.638
87 HE1 PHE 11 HE2 PHE 11 -10.891 4.913 -4.554
88 HE2 PHE 11 HE1 PHE 11 -8.495 7.960 -2.706
89 HZ PHE 11 HZ PHE 11 -9.761 7.117 -4.665
90 H TRP 12 HN TRP 12 -7.651 0.906 0.830
91 HA TRP 12 HA TRP 12 -5.243 2.520 1.557
92 HB2 TRP 12 HB2 TRP 12 -6.598 0.055 2.674
93 HB3 TRP 12 HB3 TRP 12 -5.007 0.579 3.224
94 HD1 TRP 12 HD1 TRP 12 -8.618 1.911 2.953
95 HE1 TRP 12 HE1 TRP 12 -8.987 3.635 4.830
96 HE3 TRP 12 HE3 TRP 12 -3.909 2.087 4.926
97 HZ2 TRP 12 HZ2 TRP 12 -7.484 4.923 6.895
98 HZ3 TRP 12 HZ3 TRP 12 -3.408 3.572 6.846
99 HH2 TRP 12 HH2 TRP 12 -5.188 4.988 7.832
100 H PHE 13 HN PHE 13 -6.025 0.645 -0.954
101 HA PHE 13 HA PHE 13 -3.938 -1.375 -0.952
102 HB2 PHE 13 HB2 PHE 13 -6.055 -1.507 -2.253
103 HB3 PHE 13 HB3 PHE 13 -5.542 -0.109 -3.199
104 HD1 PHE 13 HD2 PHE 13 -4.641 -3.615 -2.312
105 HD2 PHE 13 HD1 PHE 13 -4.041 -0.343 -5.030
106 HE1 PHE 13 HE2 PHE 13 -3.359 -5.106 -3.825
107 HE2 PHE 13 HE1 PHE 13 -2.760 -1.832 -6.542
108 HZ PHE 13 HZ PHE 13 -2.418 -4.214 -5.939
109 H SER 14 HN SER 14 -4.311 1.849 -2.358
110 HA SER 14 HA SER 14 -1.777 1.960 -3.707
111 HB2 SER 14 HB2 SER 14 -3.573 4.109 -2.545
112 HB3 SER 14 HB3 SER 14 -2.240 4.425 -3.650
113 HG SER 14 HG SER 14 -3.561 3.937 -5.198
114 H LEU 15 HN LEU 15 -2.821 2.702 -0.434
115 HA LEU 15 HA LEU 15 -0.423 3.970 0.512
116 HB2 LEU 15 HB2 LEU 15 -2.777 3.834 1.547
117 HB3 LEU 15 HB3 LEU 15 -2.337 2.216 2.086
118 HG LEU 15 HG LEU 15 -1.977 4.162 3.746
119 HD11 LEU 15 HD11 LEU 15 0.637 2.811 3.423
120 HD12 LEU 15 HD12 LEU 15 -0.763 1.740 3.468
121 HD13 LEU 15 HD13 LEU 15 -0.454 2.843 4.809
122 HD21 LEU 15 HD21 LEU 15 -0.841 5.546 1.867
123 HD22 LEU 15 HD22 LEU 15 0.582 4.556 2.194
124 HD23 LEU 15 HD23 LEU 15 -0.099 5.567 3.467
125 H LEU 16 HN LEU 16 -1.499 0.575 0.391
126 HA LEU 16 HA LEU 16 0.731 -0.601 1.755
127 HB2 LEU 16 HB2 LEU 16 -1.564 -1.574 1.124
128 HB3 LEU 16 HB3 LEU 16 -0.904 -1.802 -0.494
129 HG LEU 16 HG LEU 16 0.941 -2.814 1.501
130 HD11 LEU 16 HD11 LEU 16 -1.798 -4.116 1.454
131 HD12 LEU 16 HD12 LEU 16 -1.217 -3.100 2.773
132 HD13 LEU 16 HD13 LEU 16 -0.399 -4.618 2.405
133 HD21 LEU 16 HD21 LEU 16 0.915 -4.744 0.069
134 HD22 LEU 16 HD22 LEU 16 0.743 -3.341 -0.988
135 HD23 LEU 16 HD23 LEU 16 -0.669 -4.318 -0.581
136 H LEU 17 HN LEU 17 0.132 0.154 -1.640
137 HA LEU 17 HA LEU 17 2.479 -1.018 -2.772
138 HB2 LEU 17 HB2 LEU 17 0.276 0.092 -3.758
139 HB3 LEU 17 HB3 LEU 17 1.290 1.535 -3.802
140 HG LEU 17 HG LEU 17 2.997 -0.297 -4.872
141 HD11 LEU 17 HD11 LEU 17 1.539 -1.516 -6.594
142 HD12 LEU 17 HD12 LEU 17 0.168 -1.134 -5.551
143 HD13 LEU 17 HD13 LEU 17 1.483 -2.142 -4.947
144 HD21 LEU 17 HD21 LEU 17 0.981 0.943 -6.710
145 HD22 LEU 17 HD22 LEU 17 2.739 0.925 -6.828
146 HD23 LEU 17 HD23 LEU 17 1.945 2.008 -5.686
147 H LEU 18 HN LEU 18 1.869 2.083 -1.246
148 HA LEU 18 HA LEU 18 4.454 3.260 -1.858
149 HB2 LEU 18 HB2 LEU 18 2.134 4.311 -1.217
150 HB3 LEU 18 HB3 LEU 18 2.674 4.042 0.439
151 HG LEU 18 HG LEU 18 4.738 5.265 -1.250
152 HD11 LEU 18 HD11 LEU 18 3.660 7.491 -1.323
153 HD12 LEU 18 HD12 LEU 18 2.170 6.785 -0.697
154 HD13 LEU 18 HD13 LEU 18 2.766 6.317 -2.289
155 HD21 LEU 18 HD21 LEU 18 4.650 5.004 1.294
156 HD22 LEU 18 HD22 LEU 18 3.438 6.285 1.287
157 HD23 LEU 18 HD23 LEU 18 5.069 6.611 0.702
158 H ALA 19 HN ALA 19 3.109 1.362 0.782
159 HA ALA 19 HA ALA 19 5.150 1.748 2.747
160 HB1 ALA 19 HB1 ALA 19 2.832 0.600 2.860
161 HB2 ALA 19 HB2 ALA 19 4.138 -0.140 3.786
162 HB3 ALA 19 HB3 ALA 19 3.654 -0.832 2.238
163 H ALA 20 HN ALA 20 4.872 -0.612 0.074
164 HA ALA 20 HA ALA 20 7.230 -2.133 0.648
165 HB1 ALA 20 HB1 ALA 20 5.754 -1.465 -1.921
166 HB2 ALA 20 HB2 ALA 20 5.519 -2.887 -0.903
167 HB3 ALA 20 HB3 ALA 20 7.017 -2.691 -1.813
168 H GLY 21 HN GLY 21 6.716 0.823 -1.288
169 HA2 GLY 21 HA2 GLY 21 9.392 1.040 -2.300
170 HA3 GLY 21 HA3 GLY 21 8.246 2.374 -2.164
171 H VAL 22 HN VAL 22 7.847 2.192 0.691
172 HA VAL 22 HA VAL 22 9.995 3.829 1.659
173 HB VAL 22 HB VAL 22 7.918 2.153 3.123
174 HG11 VAL 22 HG11 VAL 22 8.239 3.781 4.960
175 HG12 VAL 22 HG12 VAL 22 9.531 4.554 4.042
176 HG13 VAL 22 HG13 VAL 22 9.728 2.898 4.619
177 HG21 VAL 22 HG21 VAL 22 7.591 4.335 1.377
178 HG22 VAL 22 HG22 VAL 22 7.451 5.018 2.996
179 HG23 VAL 22 HG23 VAL 22 6.393 3.697 2.503
180 H GLY 23 HN GLY 23 9.299 0.342 2.062
181 HA2 GLY 23 HA2 GLY 23 11.488 -0.235 3.820
182 HA3 GLY 23 HA3 GLY 23 10.664 -1.418 2.803
183 H ILE 24 HN ILE 24 11.197 -0.262 0.262
184 HA ILE 24 HA ILE 24 13.851 -1.270 -0.268
185 HB ILE 24 HB ILE 24 11.881 0.431 -1.844
186 HG12 ILE 24 HG12 ILE 24 12.597 -2.450 -2.357
187 HG13 ILE 24 HG13 ILE 24 11.428 -2.044 -1.099
188 HG21 ILE 24 HG21 ILE 24 14.461 -0.902 -2.721
189 HG22 ILE 24 HG22 ILE 24 14.072 0.817 -2.797
190 HG23 ILE 24 HG23 ILE 24 13.227 -0.326 -3.841
191 HD11 ILE 24 HD11 ILE 24 10.011 -0.901 -2.693
192 HD12 ILE 24 HD12 ILE 24 10.385 -2.495 -3.347
193 HD13 ILE 24 HD13 ILE 24 11.224 -1.071 -3.962
194 H TYR 25 HN TYR 25 12.540 2.037 0.173
195 HA TYR 25 HA TYR 25 14.939 3.447 -0.557
196 HB2 TYR 25 HB2 TYR 25 12.429 4.178 -0.049
197 HB3 TYR 25 HB3 TYR 25 13.079 4.458 1.568
198 HD1 TYR 25 HD2 TYR 25 15.147 5.939 1.816
199 HD2 TYR 25 HD1 TYR 25 12.883 5.682 -1.826
200 HE1 TYR 25 HE2 TYR 25 16.155 8.066 1.037
201 HE2 TYR 25 HE1 TYR 25 13.892 7.808 -2.604
202 HH TYR 25 HH TYR 25 15.080 9.977 -0.986
203 H LEU 26 HN LEU 26 13.963 1.744 2.352
204 HA LEU 26 HA LEU 26 16.055 2.889 4.062
205 HB2 LEU 26 HB2 LEU 26 13.802 0.995 4.206
206 HB3 LEU 26 HB3 LEU 26 15.188 0.485 5.167
207 HG LEU 26 HG LEU 26 13.687 1.877 6.520
208 HD11 LEU 26 HD11 LEU 26 15.343 3.209 7.476
209 HD12 LEU 26 HD12 LEU 26 16.015 3.674 5.912
210 HD13 LEU 26 HD13 LEU 26 16.311 2.058 6.555
211 HD21 LEU 26 HD21 LEU 26 12.633 3.191 4.765
212 HD22 LEU 26 HD22 LEU 26 14.172 3.942 4.350
213 HD23 LEU 26 HD23 LEU 26 13.409 4.293 5.901
214 H LEU 27 HN LEU 27 15.694 0.235 1.805
215 HA LEU 27 HA LEU 27 18.520 -0.609 2.341
216 HB2 LEU 27 HB2 LEU 27 16.443 -2.030 3.171
217 HB3 LEU 27 HB3 LEU 27 16.372 -2.527 1.480
218 HG LEU 27 HG LEU 27 18.964 -2.927 1.807
219 HD11 LEU 27 HD11 LEU 27 17.941 -3.346 4.628
220 HD12 LEU 27 HD12 LEU 27 18.874 -1.932 4.135
221 HD13 LEU 27 HD13 LEU 27 19.596 -3.538 4.050
222 HD21 LEU 27 HD21 LEU 27 17.181 -4.643 1.333
223 HD22 LEU 27 HD22 LEU 27 16.952 -4.811 3.075
224 HD23 LEU 27 HD23 LEU 27 18.496 -5.247 2.342
225 HA PRO 28 HA PRO 28 17.612 -0.099 -2.221
226 HB2 PRO 28 HB2 PRO 28 18.391 2.484 -2.691
227 HB3 PRO 28 HB3 PRO 28 16.739 2.031 -2.231
228 HG2 PRO 28 HG2 PRO 28 18.751 3.447 -0.683
229 HG3 PRO 28 HG3 PRO 28 17.021 3.276 -0.389
230 HD2 PRO 28 HD2 PRO 28 19.212 1.833 0.840
231 HD3 PRO 28 HD3 PRO 28 17.493 1.813 1.255
232 H ASN 29 HN ASN 29 20.335 0.788 -0.214
233 HA ASN 29 HA ASN 29 22.315 0.902 -2.349
234 HB2 ASN 29 HB2 ASN 29 23.808 1.321 -0.571
235 HB3 ASN 29 HB3 ASN 29 22.279 1.942 0.044
236 HD21 ASN 29 HD21 ASN 29 21.098 0.547 1.640
237 HD22 ASN 29 HD22 ASN 29 21.952 -0.617 2.531
238 H ARG 30 HN ARG 30 20.883 -1.666 -0.430
239 HA ARG 30 HA ARG 30 22.561 -3.650 -1.891
240 HB2 ARG 30 HB2 ARG 30 22.445 -3.091 1.048
241 HB3 ARG 30 HB3 ARG 30 22.598 -4.773 0.539
242 HG2 ARG 30 HG2 ARG 30 24.546 -4.075 -0.905
243 HG3 ARG 30 HG3 ARG 30 24.450 -2.478 -0.161
244 HD2 ARG 30 HD2 ARG 30 24.632 -3.681 2.104
245 HD3 ARG 30 HD3 ARG 30 25.114 -5.114 1.176
246 HE ARG 30 HE ARG 30 26.766 -2.782 1.619
247 HH11 ARG 30 HH11 ARG 30 26.900 -5.824 0.380
248 HH12 ARG 30 HH12 ARG 30 27.943 -5.467 -0.954
249 HH21 ARG 30 HH21 ARG 30 27.686 -2.023 -0.577
250 HH22 ARG 30 HH22 ARG 30 28.395 -3.309 -1.494
Start of MODEL 26
1 HA HIS 1 HA HIS 1 -3.765 -10.769 -2.572
2 HB2 HIS 1 HB2 HIS 1 -1.784 -12.432 -4.060
3 HB3 HIS 1 HB3 HIS 1 -3.181 -11.861 -4.972
4 HD1 HIS 1 HD1 HIS 1 0.080 -10.786 -3.747
5 HD2 HIS 1 HD2 HIS 1 -3.497 -8.897 -4.756
6 HE1 HIS 1 HE1 HIS 1 0.626 -8.331 -4.050
7 H SER 2 HN SER 2 -5.751 -11.209 -3.703
8 HA SER 2 HA SER 2 -7.817 -12.356 -3.828
9 HB2 SER 2 HB2 SER 2 -7.611 -14.223 -5.407
10 HB3 SER 2 HB3 SER 2 -6.524 -12.919 -5.871
11 HG SER 2 HG SER 2 -5.953 -15.407 -4.674
12 H VAL 3 HN VAL 3 -7.187 -12.627 -1.251
13 HA VAL 3 HA VAL 3 -7.091 -15.520 -0.543
14 HB VAL 3 HB VAL 3 -6.808 -14.597 1.757
15 HG11 VAL 3 HG11 VAL 3 -4.885 -14.932 0.138
16 HG12 VAL 3 HG12 VAL 3 -4.582 -13.757 1.418
17 HG13 VAL 3 HG13 VAL 3 -4.977 -13.206 -0.211
18 HG21 VAL 3 HG21 VAL 3 -6.543 -11.842 0.609
19 HG22 VAL 3 HG22 VAL 3 -6.941 -12.335 2.255
20 HG23 VAL 3 HG23 VAL 3 -8.161 -12.438 0.984
21 H SER 4 HN SER 4 -9.511 -14.247 -1.773
22 HA SER 4 HA SER 4 -11.828 -14.611 -1.573
23 HB2 SER 4 HB2 SER 4 -10.893 -16.508 -0.016
24 HB3 SER 4 HB3 SER 4 -11.443 -15.453 1.284
25 HG SER 4 HG SER 4 -12.914 -17.131 0.085
26 H HIS 5 HN HIS 5 -10.380 -13.336 1.401
27 HA HIS 5 HA HIS 5 -12.602 -11.378 1.681
28 HB2 HIS 5 HB2 HIS 5 -11.353 -12.917 3.473
29 HB3 HIS 5 HB3 HIS 5 -10.252 -11.541 3.529
30 HD1 HIS 5 HD1 HIS 5 -13.614 -12.653 4.604
31 HD2 HIS 5 HD2 HIS 5 -11.549 -9.043 4.315
32 HE1 HIS 5 HE1 HIS 5 -14.929 -10.965 5.958
33 H ALA 6 HN ALA 6 -10.527 -11.153 -0.496
34 HA ALA 6 HA ALA 6 -9.032 -8.709 0.335
35 HB1 ALA 6 HB1 ALA 6 -7.642 -9.204 -1.545
36 HB2 ALA 6 HB2 ALA 6 -8.866 -10.247 -2.266
37 HB3 ALA 6 HB3 ALA 6 -8.009 -10.767 -0.815
38 H ARG 7 HN ARG 7 -12.032 -8.837 -0.323
39 HA ARG 7 HA ARG 7 -12.372 -7.478 -2.877
40 HB2 ARG 7 HB2 ARG 7 -14.005 -8.400 -0.579
41 HB3 ARG 7 HB3 ARG 7 -14.662 -7.021 -1.459
42 HG2 ARG 7 HG2 ARG 7 -15.543 -8.732 -2.737
43 HG3 ARG 7 HG3 ARG 7 -14.003 -8.513 -3.570
44 HD2 ARG 7 HD2 ARG 7 -13.568 -10.286 -1.351
45 HD3 ARG 7 HD3 ARG 7 -14.955 -10.876 -2.285
46 HE ARG 7 HE ARG 7 -12.368 -10.142 -3.610
47 HH11 ARG 7 HH11 ARG 7 -12.893 -13.001 -2.621
48 HH12 ARG 7 HH12 ARG 7 -13.444 -13.755 -4.081
49 HH21 ARG 7 HH21 ARG 7 -14.029 -10.744 -5.720
50 HH22 ARG 7 HH22 ARG 7 -14.090 -12.470 -5.844
51 HA PRO 8 HA PRO 8 -12.914 -3.608 -0.098
52 HB2 PRO 8 HB2 PRO 8 -12.100 -3.750 2.514
53 HB3 PRO 8 HB3 PRO 8 -13.750 -4.139 1.991
54 HG2 PRO 8 HG2 PRO 8 -11.507 -5.956 2.682
55 HG3 PRO 8 HG3 PRO 8 -13.241 -6.134 2.982
56 HD2 PRO 8 HD2 PRO 8 -11.883 -7.415 0.978
57 HD3 PRO 8 HD3 PRO 8 -13.626 -7.074 0.945
58 H ARG 9 HN ARG 9 -11.105 -2.260 1.479
59 HA ARG 9 HA ARG 9 -8.907 -1.407 1.562
60 HB2 ARG 9 HB2 ARG 9 -8.710 -4.050 2.004
61 HB3 ARG 9 HB3 ARG 9 -7.816 -3.972 0.487
62 HG2 ARG 9 HG2 ARG 9 -6.639 -1.909 1.673
63 HG3 ARG 9 HG3 ARG 9 -7.161 -2.740 3.138
64 HD2 ARG 9 HD2 ARG 9 -5.927 -4.524 1.128
65 HD3 ARG 9 HD3 ARG 9 -4.825 -3.311 1.811
66 HE ARG 9 HE ARG 9 -5.593 -4.110 4.088
67 HH11 ARG 9 HH21 ARG 9 -7.839 -5.860 3.236
68 HH12 ARG 9 HH22 ARG 9 -7.120 -7.435 3.249
69 HH21 ARG 9 HH11 ARG 9 -3.858 -6.234 3.261
70 HH22 ARG 9 HH12 ARG 9 -4.859 -7.648 3.262
71 H TRP 10 HN TRP 10 -10.549 -1.271 -0.917
72 HA TRP 10 HA TRP 10 -8.797 -1.641 -3.218
73 HB2 TRP 10 HB2 TRP 10 -11.525 -1.038 -2.624
74 HB3 TRP 10 HB3 TRP 10 -10.917 0.248 -3.665
75 HD1 TRP 10 HD1 TRP 10 -12.144 -3.243 -3.749
76 HE1 TRP 10 HE1 TRP 10 -11.818 -4.254 -6.096
77 HE3 TRP 10 HE3 TRP 10 -9.088 0.290 -5.808
78 HZ2 TRP 10 HZ2 TRP 10 -10.441 -3.642 -8.531
79 HZ3 TRP 10 HZ3 TRP 10 -8.284 0.052 -8.140
80 HH2 TRP 10 HH2 TRP 10 -8.956 -1.907 -9.503
81 H PHE 11 HN PHE 11 -9.940 1.228 -1.394
82 HA PHE 11 HA PHE 11 -8.297 3.099 -2.901
83 HB2 PHE 11 HB2 PHE 11 -10.497 3.473 -1.626
84 HB3 PHE 11 HB3 PHE 11 -9.520 3.473 -0.158
85 HD1 PHE 11 HD2 PHE 11 -7.895 5.255 0.284
86 HD2 PHE 11 HD1 PHE 11 -10.312 5.272 -3.269
87 HE1 PHE 11 HE2 PHE 11 -7.283 7.624 -0.123
88 HE2 PHE 11 HE1 PHE 11 -9.699 7.641 -3.674
89 HZ PHE 11 HZ PHE 11 -8.185 8.816 -2.101
90 H TRP 12 HN TRP 12 -7.847 1.197 0.049
91 HA TRP 12 HA TRP 12 -5.468 2.705 0.884
92 HB2 TRP 12 HB2 TRP 12 -6.898 0.209 1.815
93 HB3 TRP 12 HB3 TRP 12 -5.420 0.784 2.584
94 HD1 TRP 12 HD1 TRP 12 -9.093 1.653 2.101
95 HE1 TRP 12 HE1 TRP 12 -9.734 3.533 3.743
96 HE3 TRP 12 HE3 TRP 12 -4.478 2.825 3.945
97 HZ2 TRP 12 HZ2 TRP 12 -8.458 5.300 5.597
98 HZ3 TRP 12 HZ3 TRP 12 -4.220 4.608 5.647
99 HH2 TRP 12 HH2 TRP 12 -6.202 5.845 6.475
100 H PHE 13 HN PHE 13 -5.937 0.491 -1.563
101 HA PHE 13 HA PHE 13 -3.725 -1.310 -1.246
102 HB2 PHE 13 HB2 PHE 13 -5.804 -1.169 -2.901
103 HB3 PHE 13 HB3 PHE 13 -4.636 -0.331 -3.925
104 HD1 PHE 13 HD2 PHE 13 -2.601 -1.468 -4.717
105 HD2 PHE 13 HD1 PHE 13 -5.554 -3.523 -2.373
106 HE1 PHE 13 HE2 PHE 13 -1.596 -3.643 -5.358
107 HE2 PHE 13 HE1 PHE 13 -4.549 -5.698 -3.012
108 HZ PHE 13 HZ PHE 13 -2.570 -5.758 -4.506
109 H SER 14 HN SER 14 -4.023 1.870 -2.759
110 HA SER 14 HA SER 14 -1.368 2.039 -3.834
111 HB2 SER 14 HB2 SER 14 -3.119 4.288 -2.809
112 HB3 SER 14 HB3 SER 14 -1.903 4.386 -4.079
113 HG SER 14 HG SER 14 -4.357 4.030 -4.515
114 H LEU 15 HN LEU 15 -2.761 2.835 -0.704
115 HA LEU 15 HA LEU 15 -0.484 4.139 0.471
116 HB2 LEU 15 HB2 LEU 15 -2.829 4.184 1.317
117 HB3 LEU 15 HB3 LEU 15 -2.704 2.470 1.714
118 HG LEU 15 HG LEU 15 -0.477 3.977 2.831
119 HD11 LEU 15 HD11 LEU 15 -2.083 4.998 4.626
120 HD12 LEU 15 HD12 LEU 15 -3.290 4.916 3.343
121 HD13 LEU 15 HD13 LEU 15 -1.825 5.872 3.117
122 HD21 LEU 15 HD21 LEU 15 -1.329 2.855 4.912
123 HD22 LEU 15 HD22 LEU 15 -1.082 1.738 3.570
124 HD23 LEU 15 HD23 LEU 15 -2.711 2.274 3.983
125 H LEU 16 HN LEU 16 -1.552 0.729 0.401
126 HA LEU 16 HA LEU 16 0.568 -0.328 2.028
127 HB2 LEU 16 HB2 LEU 16 -1.742 -1.278 1.154
128 HB3 LEU 16 HB3 LEU 16 -0.764 -1.854 -0.195
129 HG LEU 16 HG LEU 16 0.176 -2.364 2.612
130 HD11 LEU 16 HD11 LEU 16 -2.262 -3.043 2.414
131 HD12 LEU 16 HD12 LEU 16 -1.151 -4.359 2.788
132 HD13 LEU 16 HD13 LEU 16 -1.768 -4.166 1.148
133 HD21 LEU 16 HD21 LEU 16 0.620 -3.419 -0.141
134 HD22 LEU 16 HD22 LEU 16 0.702 -4.588 1.177
135 HD23 LEU 16 HD23 LEU 16 1.774 -3.187 1.173
136 H LEU 17 HN LEU 17 0.236 0.231 -1.435
137 HA LEU 17 HA LEU 17 2.641 -1.063 -2.307
138 HB2 LEU 17 HB2 LEU 17 0.588 -0.101 -3.598
139 HB3 LEU 17 HB3 LEU 17 1.464 1.430 -3.533
140 HG LEU 17 HG LEU 17 3.474 -0.024 -4.431
141 HD11 LEU 17 HD11 LEU 17 2.418 -2.194 -4.291
142 HD12 LEU 17 HD12 LEU 17 2.584 -1.791 -6.001
143 HD13 LEU 17 HD13 LEU 17 1.019 -1.627 -5.205
144 HD21 LEU 17 HD21 LEU 17 2.923 0.678 -6.650
145 HD22 LEU 17 HD22 LEU 17 2.166 1.858 -5.580
146 HD23 LEU 17 HD23 LEU 17 1.192 0.590 -6.324
147 H LEU 18 HN LEU 18 1.946 2.152 -1.074
148 HA LEU 18 HA LEU 18 4.546 3.309 -1.546
149 HB2 LEU 18 HB2 LEU 18 2.216 4.369 -1.027
150 HB3 LEU 18 HB3 LEU 18 2.645 4.086 0.661
151 HG LEU 18 HG LEU 18 4.888 5.271 0.038
152 HD11 LEU 18 HD11 LEU 18 3.032 6.176 -2.184
153 HD12 LEU 18 HD12 LEU 18 4.575 5.342 -2.371
154 HD13 LEU 18 HD13 LEU 18 4.533 6.994 -1.754
155 HD21 LEU 18 HD21 LEU 18 2.279 6.818 0.170
156 HD22 LEU 18 HD22 LEU 18 3.874 7.460 0.557
157 HD23 LEU 18 HD23 LEU 18 3.166 6.194 1.560
158 H ALA 19 HN ALA 19 3.072 1.553 1.135
159 HA ALA 19 HA ALA 19 5.149 1.917 3.084
160 HB1 ALA 19 HB1 ALA 19 3.991 0.177 4.238
161 HB2 ALA 19 HB2 ALA 19 3.418 -0.542 2.734
162 HB3 ALA 19 HB3 ALA 19 2.746 0.992 3.290
163 H ALA 20 HN ALA 20 4.657 -0.517 0.522
164 HA ALA 20 HA ALA 20 6.896 -2.203 1.191
165 HB1 ALA 20 HB1 ALA 20 5.436 -1.637 -1.414
166 HB2 ALA 20 HB2 ALA 20 5.028 -2.891 -0.243
167 HB3 ALA 20 HB3 ALA 20 6.532 -2.996 -1.159
168 H GLY 21 HN GLY 21 6.529 0.620 -0.965
169 HA2 GLY 21 HA2 GLY 21 9.160 0.548 -2.097
170 HA3 GLY 21 HA3 GLY 21 8.134 1.981 -2.005
171 H VAL 22 HN VAL 22 7.856 2.105 0.834
172 HA VAL 22 HA VAL 22 10.225 3.545 1.583
173 HB VAL 22 HB VAL 22 7.967 2.323 3.212
174 HG11 VAL 22 HG11 VAL 22 9.596 2.812 4.828
175 HG12 VAL 22 HG12 VAL 22 8.671 4.312 4.764
176 HG13 VAL 22 HG13 VAL 22 10.216 4.193 3.924
177 HG21 VAL 22 HG21 VAL 22 6.708 4.094 2.572
178 HG22 VAL 22 HG22 VAL 22 7.912 4.359 1.310
179 HG23 VAL 22 HG23 VAL 22 8.034 5.226 2.842
180 H GLY 23 HN GLY 23 9.153 0.203 2.206
181 HA2 GLY 23 HA2 GLY 23 11.145 -0.545 4.091
182 HA3 GLY 23 HA3 GLY 23 10.339 -1.664 2.990
183 H ILE 24 HN ILE 24 11.168 -0.739 0.514
184 HA ILE 24 HA ILE 24 13.935 -1.698 0.413
185 HB ILE 24 HB ILE 24 12.027 -0.544 -1.659
186 HG12 ILE 24 HG12 ILE 24 12.773 -3.389 -1.765
187 HG13 ILE 24 HG13 ILE 24 11.908 -2.950 -0.291
188 HG21 ILE 24 HG21 ILE 24 14.753 -1.832 -1.914
189 HG22 ILE 24 HG22 ILE 24 14.221 -0.278 -2.558
190 HG23 ILE 24 HG23 ILE 24 13.608 -1.778 -3.255
191 HD11 ILE 24 HD11 ILE 24 10.093 -3.334 -1.655
192 HD12 ILE 24 HD12 ILE 24 10.973 -2.911 -3.123
193 HD13 ILE 24 HD13 ILE 24 10.372 -1.640 -2.057
194 H TYR 25 HN TYR 25 12.334 1.467 0.390
195 HA TYR 25 HA TYR 25 14.467 3.038 -0.692
196 HB2 TYR 25 HB2 TYR 25 12.110 3.770 -0.239
197 HB3 TYR 25 HB3 TYR 25 12.479 3.762 1.486
198 HD1 TYR 25 HD2 TYR 25 13.373 5.316 -1.774
199 HD2 TYR 25 HD1 TYR 25 13.739 5.521 2.502
200 HE1 TYR 25 HE2 TYR 25 14.359 7.583 -1.965
201 HE2 TYR 25 HE1 TYR 25 14.728 7.786 2.308
202 HH TYR 25 HH TYR 25 16.103 8.989 -0.093
203 H LEU 26 HN LEU 26 14.073 1.466 2.410
204 HA LEU 26 HA LEU 26 16.135 3.024 3.795
205 HB2 LEU 26 HB2 LEU 26 14.236 0.821 4.303
206 HB3 LEU 26 HB3 LEU 26 15.763 0.645 5.162
207 HG LEU 26 HG LEU 26 14.169 1.897 6.539
208 HD11 LEU 26 HD11 LEU 26 16.074 3.994 5.551
209 HD12 LEU 26 HD12 LEU 26 16.714 2.521 6.279
210 HD13 LEU 26 HD13 LEU 26 15.643 3.571 7.207
211 HD21 LEU 26 HD21 LEU 26 14.084 3.772 4.155
212 HD22 LEU 26 HD22 LEU 26 13.436 4.172 5.746
213 HD23 LEU 26 HD23 LEU 26 12.742 2.841 4.820
214 H LEU 27 HN LEU 27 15.978 0.183 1.743
215 HA LEU 27 HA LEU 27 18.935 -0.205 2.069
216 HB2 LEU 27 HB2 LEU 27 17.308 -1.870 3.204
217 HB3 LEU 27 HB3 LEU 27 16.923 -2.406 1.568
218 HG LEU 27 HG LEU 27 19.628 -2.436 1.426
219 HD11 LEU 27 HD11 LEU 27 20.033 -1.772 3.707
220 HD12 LEU 27 HD12 LEU 27 20.416 -3.489 3.587
221 HD13 LEU 27 HD13 LEU 27 18.895 -2.975 4.316
222 HD21 LEU 27 HD21 LEU 27 18.174 -4.736 2.733
223 HD22 LEU 27 HD22 LEU 27 19.458 -4.793 1.526
224 HD23 LEU 27 HD23 LEU 27 17.836 -4.276 1.064
225 HA PRO 28 HA PRO 28 17.605 -0.115 -2.420
226 HB2 PRO 28 HB2 PRO 28 17.946 2.520 -3.086
227 HB3 PRO 28 HB3 PRO 28 16.421 1.859 -2.468
228 HG2 PRO 28 HG2 PRO 28 18.314 3.644 -1.164
229 HG3 PRO 28 HG3 PRO 28 16.650 3.255 -0.729
230 HD2 PRO 28 HD2 PRO 28 19.098 2.223 0.413
231 HD3 PRO 28 HD3 PRO 28 17.430 1.969 0.943
232 H ASN 29 HN ASN 29 20.307 1.293 -0.695
233 HA ASN 29 HA ASN 29 22.091 1.565 -2.984
234 HB2 ASN 29 HB2 ASN 29 22.002 2.253 -0.242
235 HB3 ASN 29 HB3 ASN 29 23.407 1.204 -0.427
236 HD21 ASN 29 HD21 ASN 29 22.079 4.356 -1.244
237 HD22 ASN 29 HD22 ASN 29 23.463 4.942 -2.032
238 H ARG 30 HN ARG 30 21.326 -1.006 -0.674
239 HA ARG 30 HA ARG 30 21.994 -3.260 -0.559
240 HB2 ARG 30 HB2 ARG 30 22.444 -2.551 -3.473
241 HB3 ARG 30 HB3 ARG 30 22.560 -4.200 -2.862
242 HG2 ARG 30 HG2 ARG 30 20.114 -2.580 -2.225
243 HG3 ARG 30 HG3 ARG 30 20.269 -3.306 -3.825
244 HD2 ARG 30 HD2 ARG 30 20.118 -5.472 -3.011
245 HD3 ARG 30 HD3 ARG 30 20.834 -5.041 -1.445
246 HE ARG 30 HE ARG 30 18.669 -3.832 -0.949
247 HH11 ARG 30 HH11 ARG 30 18.011 -6.677 -0.774
248 HH12 ARG 30 HH12 ARG 30 16.684 -6.855 -1.872
249 HH21 ARG 30 HH21 ARG 30 17.309 -3.860 -3.525
250 HH22 ARG 30 HH22 ARG 30 16.286 -5.256 -3.438
Start of MODEL 27
1 HA HIS 1 HA HIS 1 -25.460 0.992 4.528
2 HB2 HIS 1 HB2 HIS 1 -22.925 2.236 5.318
3 HB3 HIS 1 HB3 HIS 1 -22.688 0.723 4.444
4 HD1 HIS 1 HD1 HIS 1 -24.043 0.554 2.085
5 HD2 HIS 1 HD2 HIS 1 -23.595 4.379 3.685
6 HE1 HIS 1 HE1 HIS 1 -24.511 2.179 0.200
7 H SER 2 HN SER 2 -24.966 -1.237 4.001
8 HA SER 2 HA SER 2 -24.089 -2.907 6.341
9 HB2 SER 2 HB2 SER 2 -26.245 -3.406 4.264
10 HB3 SER 2 HB3 SER 2 -25.789 -4.538 5.535
11 HG SER 2 HG SER 2 -27.557 -3.288 6.189
12 H VAL 3 HN VAL 3 -22.554 -1.892 3.904
13 HA VAL 3 HA VAL 3 -21.764 -4.577 2.821
14 HB VAL 3 HB VAL 3 -23.071 -2.920 1.334
15 HG11 VAL 3 HG11 VAL 3 -22.005 -1.014 0.496
16 HG12 VAL 3 HG12 VAL 3 -20.400 -1.596 0.937
17 HG13 VAL 3 HG13 VAL 3 -21.497 -1.004 2.186
18 HG21 VAL 3 HG21 VAL 3 -21.757 -3.531 -0.630
19 HG22 VAL 3 HG22 VAL 3 -21.761 -4.880 0.505
20 HG23 VAL 3 HG23 VAL 3 -20.342 -3.840 0.376
21 H SER 4 HN SER 4 -20.707 -2.638 5.041
22 HA SER 4 HA SER 4 -18.049 -1.877 4.062
23 HB2 SER 4 HB2 SER 4 -19.583 -0.756 5.844
24 HB3 SER 4 HB3 SER 4 -18.958 -1.992 6.933
25 HG SER 4 HG SER 4 -17.557 0.029 5.528
26 H HIS 5 HN HIS 5 -19.484 -4.578 5.730
27 HA HIS 5 HA HIS 5 -17.110 -5.702 6.896
28 HB2 HIS 5 HB2 HIS 5 -18.519 -7.704 7.117
29 HB3 HIS 5 HB3 HIS 5 -19.457 -6.266 7.507
30 HD1 HIS 5 HD1 HIS 5 -19.012 -8.865 4.806
31 HD2 HIS 5 HD2 HIS 5 -21.576 -5.708 5.715
32 HE1 HIS 5 HE1 HIS 5 -20.954 -9.031 3.190
33 H ALA 6 HN ALA 6 -18.285 -5.644 3.639
34 HA ALA 6 HA ALA 6 -16.521 -7.884 2.794
35 HB1 ALA 6 HB1 ALA 6 -18.538 -6.144 1.331
36 HB2 ALA 6 HB2 ALA 6 -18.845 -7.754 1.981
37 HB3 ALA 6 HB3 ALA 6 -17.721 -7.544 0.638
38 H ARG 7 HN ARG 7 -15.104 -5.655 3.776
39 HA ARG 7 HA ARG 7 -14.003 -4.422 1.267
40 HB2 ARG 7 HB2 ARG 7 -14.359 -3.358 4.086
41 HB3 ARG 7 HB3 ARG 7 -13.394 -2.530 2.865
42 HG2 ARG 7 HG2 ARG 7 -16.299 -3.296 2.462
43 HG3 ARG 7 HG3 ARG 7 -15.780 -1.712 3.038
44 HD2 ARG 7 HD2 ARG 7 -15.305 -1.046 0.925
45 HD3 ARG 7 HD3 ARG 7 -14.280 -2.470 0.663
46 HE ARG 7 HE ARG 7 -16.513 -3.722 0.305
47 HH11 ARG 7 HH21 ARG 7 -18.086 -1.121 0.764
48 HH12 ARG 7 HH22 ARG 7 -18.454 -0.670 -0.866
49 HH21 ARG 7 HH11 ARG 7 -16.114 -2.823 -2.265
50 HH22 ARG 7 HH12 ARG 7 -17.334 -1.638 -2.588
51 HA PRO 8 HA PRO 8 -10.683 -6.945 3.278
52 HB2 PRO 8 HB2 PRO 8 -9.713 -7.996 0.940
53 HB3 PRO 8 HB3 PRO 8 -11.050 -8.729 1.846
54 HG2 PRO 8 HG2 PRO 8 -11.122 -7.025 -0.590
55 HG3 PRO 8 HG3 PRO 8 -12.117 -8.424 -0.160
56 HD2 PRO 8 HD2 PRO 8 -12.962 -5.834 0.061
57 HD3 PRO 8 HD3 PRO 8 -13.587 -7.168 1.056
58 H ARG 9 HN ARG 9 -9.586 -4.959 3.782
59 HA ARG 9 HA ARG 9 -7.925 -3.302 3.561
60 HB2 ARG 9 HB2 ARG 9 -7.176 -5.512 1.675
61 HB3 ARG 9 HB3 ARG 9 -6.243 -4.017 1.631
62 HG2 ARG 9 HG2 ARG 9 -5.738 -4.201 4.005
63 HG3 ARG 9 HG3 ARG 9 -6.776 -5.620 4.148
64 HD2 ARG 9 HD2 ARG 9 -4.621 -5.747 2.084
65 HD3 ARG 9 HD3 ARG 9 -4.123 -5.860 3.784
66 HE ARG 9 HE ARG 9 -5.359 -7.895 3.983
67 HH11 ARG 9 HH21 ARG 9 -4.425 -8.205 1.090
68 HH12 ARG 9 HH22 ARG 9 -5.895 -8.685 0.312
69 HH21 ARG 9 HH11 ARG 9 -7.922 -7.680 2.952
70 HH22 ARG 9 HH12 ARG 9 -7.883 -8.385 1.371
71 H TRP 10 HN TRP 10 -10.459 -2.983 2.079
72 HA TRP 10 HA TRP 10 -10.028 -1.979 -0.582
73 HB2 TRP 10 HB2 TRP 10 -12.189 -2.693 0.531
74 HB3 TRP 10 HB3 TRP 10 -12.141 -1.188 1.450
75 HD1 TRP 10 HD1 TRP 10 -12.289 1.114 0.026
76 HE1 TRP 10 HE1 TRP 10 -13.431 1.610 -2.230
77 HE3 TRP 10 HE3 TRP 10 -12.835 -3.644 -1.747
78 HZ2 TRP 10 HZ2 TRP 10 -14.448 0.175 -4.487
79 HZ3 TRP 10 HZ3 TRP 10 -13.895 -4.050 -3.950
80 HH2 TRP 10 HH2 TRP 10 -14.701 -2.148 -5.321
81 H PHE 11 HN PHE 11 -9.490 0.085 -1.288
82 HA PHE 11 HA PHE 11 -8.769 2.328 -1.221
83 HB2 PHE 11 HB2 PHE 11 -10.876 2.163 0.474
84 HB3 PHE 11 HB3 PHE 11 -9.621 2.654 1.609
85 HD1 PHE 11 HD1 PHE 11 -11.189 3.539 -1.661
86 HD2 PHE 11 HD2 PHE 11 -8.850 4.891 1.678
87 HE1 PHE 11 HE1 PHE 11 -11.346 5.869 -2.495
88 HE2 PHE 11 HE2 PHE 11 -9.009 7.221 0.845
89 HZ PHE 11 HZ PHE 11 -10.256 7.709 -1.242
90 H TRP 12 HN TRP 12 -7.352 -0.116 0.412
91 HA TRP 12 HA TRP 12 -5.277 1.659 1.650
92 HB2 TRP 12 HB2 TRP 12 -6.174 -1.144 2.392
93 HB3 TRP 12 HB3 TRP 12 -4.901 -0.241 3.209
94 HD1 TRP 12 HD1 TRP 12 -8.213 -1.137 3.901
95 HE1 TRP 12 HE1 TRP 12 -9.505 0.635 5.255
96 HE3 TRP 12 HE3 TRP 12 -5.185 2.914 3.179
97 HZ2 TRP 12 HZ2 TRP 12 -9.284 3.399 5.946
98 HZ3 TRP 12 HZ3 TRP 12 -5.749 5.101 4.198
99 HH2 TRP 12 HH2 TRP 12 -7.793 5.349 5.579
100 H PHE 13 HN PHE 13 -5.820 -0.242 -1.005
101 HA PHE 13 HA PHE 13 -3.424 -1.852 -1.109
102 HB2 PHE 13 HB2 PHE 13 -5.634 -2.013 -2.442
103 HB3 PHE 13 HB3 PHE 13 -4.960 -0.738 -3.459
104 HD1 PHE 13 HD2 PHE 13 -4.343 -4.176 -2.163
105 HD2 PHE 13 HD1 PHE 13 -3.296 -1.212 -5.090
106 HE1 PHE 13 HE2 PHE 13 -3.006 -5.864 -3.395
107 HE2 PHE 13 HE1 PHE 13 -1.959 -2.900 -6.322
108 HZ PHE 13 HZ PHE 13 -1.814 -5.226 -5.474
109 H SER 14 HN SER 14 -4.284 1.348 -2.367
110 HA SER 14 HA SER 14 -1.783 1.906 -3.661
111 HB2 SER 14 HB2 SER 14 -2.620 4.300 -3.387
112 HB3 SER 14 HB3 SER 14 -3.749 3.202 -4.174
113 HG SER 14 HG SER 14 -4.874 4.276 -2.595
114 H LEU 15 HN LEU 15 -2.951 2.298 -0.376
115 HA LEU 15 HA LEU 15 -0.778 3.851 0.693
116 HB2 LEU 15 HB2 LEU 15 -3.131 3.236 1.629
117 HB3 LEU 15 HB3 LEU 15 -2.367 1.743 2.174
118 HG LEU 15 HG LEU 15 -1.118 4.407 2.819
119 HD11 LEU 15 HD11 LEU 15 -2.375 4.355 4.970
120 HD12 LEU 15 HD12 LEU 15 -3.331 3.007 4.351
121 HD13 LEU 15 HD13 LEU 15 -3.435 4.589 3.579
122 HD21 LEU 15 HD21 LEU 15 -0.760 2.740 4.947
123 HD22 LEU 15 HD22 LEU 15 0.359 2.835 3.587
124 HD23 LEU 15 HD23 LEU 15 -0.865 1.565 3.635
125 H LEU 16 HN LEU 16 -1.362 0.329 0.450
126 HA LEU 16 HA LEU 16 1.016 -0.547 1.775
127 HB2 LEU 16 HB2 LEU 16 -1.129 -1.810 1.056
128 HB3 LEU 16 HB3 LEU 16 -0.361 -1.942 -0.526
129 HG LEU 16 HG LEU 16 1.415 -2.682 1.699
130 HD11 LEU 16 HD11 LEU 16 0.334 -4.734 2.299
131 HD12 LEU 16 HD12 LEU 16 -0.903 -4.519 1.062
132 HD13 LEU 16 HD13 LEU 16 -0.880 -3.468 2.478
133 HD21 LEU 16 HD21 LEU 16 0.537 -4.332 -0.676
134 HD22 LEU 16 HD22 LEU 16 2.077 -4.386 0.181
135 HD23 LEU 16 HD23 LEU 16 1.687 -3.006 -0.848
136 H LEU 17 HN LEU 17 0.345 0.263 -1.592
137 HA LEU 17 HA LEU 17 2.834 -0.550 -2.739
138 HB2 LEU 17 HB2 LEU 17 0.564 0.249 -3.771
139 HB3 LEU 17 HB3 LEU 17 1.256 1.863 -3.619
140 HG LEU 17 HG LEU 17 3.046 -0.164 -4.826
141 HD11 LEU 17 HD11 LEU 17 0.798 -0.737 -5.786
142 HD12 LEU 17 HD12 LEU 17 1.944 -0.143 -6.989
143 HD13 LEU 17 HD13 LEU 17 0.677 0.920 -6.377
144 HD21 LEU 17 HD21 LEU 17 2.268 2.505 -5.975
145 HD22 LEU 17 HD22 LEU 17 3.828 1.686 -6.029
146 HD23 LEU 17 HD23 LEU 17 3.280 2.440 -4.533
147 H LEU 18 HN LEU 18 1.796 2.411 -1.153
148 HA LEU 18 HA LEU 18 4.202 3.940 -1.628
149 HB2 LEU 18 HB2 LEU 18 1.771 4.628 -0.936
150 HB3 LEU 18 HB3 LEU 18 2.327 4.294 0.705
151 HG LEU 18 HG LEU 18 4.140 5.962 -0.954
152 HD11 LEU 18 HD11 LEU 18 1.826 6.784 -1.532
153 HD12 LEU 18 HD12 LEU 18 2.830 7.980 -0.712
154 HD13 LEU 18 HD13 LEU 18 1.577 7.117 0.182
155 HD21 LEU 18 HD21 LEU 18 4.279 5.280 1.563
156 HD22 LEU 18 HD22 LEU 18 3.065 6.536 1.805
157 HD23 LEU 18 HD23 LEU 18 4.639 6.949 1.125
158 H ALA 19 HN ALA 19 3.070 1.837 0.972
159 HA ALA 19 HA ALA 19 5.226 2.316 2.826
160 HB1 ALA 19 HB1 ALA 19 3.724 -0.284 2.535
161 HB2 ALA 19 HB2 ALA 19 2.886 1.173 3.072
162 HB3 ALA 19 HB3 ALA 19 4.234 0.533 4.012
163 H ALA 20 HN ALA 20 4.766 -0.014 0.170
164 HA ALA 20 HA ALA 20 7.086 -1.632 0.636
165 HB1 ALA 20 HB1 ALA 20 6.745 -2.148 -1.823
166 HB2 ALA 20 HB2 ALA 20 5.515 -0.884 -1.852
167 HB3 ALA 20 HB3 ALA 20 5.290 -2.313 -0.842
168 H GLY 21 HN GLY 21 6.605 1.329 -1.316
169 HA2 GLY 21 HA2 GLY 21 9.240 1.456 -2.421
170 HA3 GLY 21 HA3 GLY 21 8.158 2.835 -2.227
171 H VAL 22 HN VAL 22 7.872 2.687 0.622
172 HA VAL 22 HA VAL 22 10.163 4.184 1.497
173 HB VAL 22 HB VAL 22 7.984 2.718 3.033
174 HG11 VAL 22 HG11 VAL 22 9.831 3.302 4.517
175 HG12 VAL 22 HG12 VAL 22 8.482 4.398 4.814
176 HG13 VAL 22 HG13 VAL 22 9.870 4.943 3.870
177 HG21 VAL 22 HG21 VAL 22 6.591 4.433 2.521
178 HG22 VAL 22 HG22 VAL 22 7.734 4.813 1.234
179 HG23 VAL 22 HG23 VAL 22 7.848 5.640 2.786
180 H GLY 23 HN GLY 23 9.208 0.770 1.955
181 HA2 GLY 23 HA2 GLY 23 11.351 0.041 3.710
182 HA3 GLY 23 HA3 GLY 23 10.439 -1.084 2.704
183 H ILE 24 HN ILE 24 11.064 -0.021 0.149
184 HA ILE 24 HA ILE 24 13.631 -1.234 -0.359
185 HB ILE 24 HB ILE 24 11.853 0.636 -1.974
186 HG12 ILE 24 HG12 ILE 24 12.196 -2.292 -2.509
187 HG13 ILE 24 HG13 ILE 24 11.180 -1.810 -1.151
188 HG21 ILE 24 HG21 ILE 24 14.050 0.744 -2.947
189 HG22 ILE 24 HG22 ILE 24 13.110 -0.373 -3.937
190 HG23 ILE 24 HG23 ILE 24 14.277 -0.996 -2.771
191 HD11 ILE 24 HD11 ILE 24 10.856 -0.985 -4.049
192 HD12 ILE 24 HD12 ILE 24 9.931 -0.289 -2.719
193 HD13 ILE 24 HD13 ILE 24 9.766 -2.000 -3.105
194 H TYR 25 HN TYR 25 12.598 2.165 0.086
195 HA TYR 25 HA TYR 25 15.102 3.378 -0.656
196 HB2 TYR 25 HB2 TYR 25 12.716 4.364 -0.234
197 HB3 TYR 25 HB3 TYR 25 13.235 4.458 1.451
198 HD1 TYR 25 HD2 TYR 25 15.127 5.889 2.116
199 HD2 TYR 25 HD1 TYR 25 13.740 5.754 -1.948
200 HE1 TYR 25 HE2 TYR 25 16.400 7.956 1.612
201 HE2 TYR 25 HE1 TYR 25 15.015 7.820 -2.451
202 HH TYR 25 HH TYR 25 17.407 8.921 -0.921
203 H LEU 26 HN LEU 26 13.985 1.772 2.260
204 HA LEU 26 HA LEU 26 16.170 2.745 3.961
205 HB2 LEU 26 HB2 LEU 26 13.756 1.054 4.121
206 HB3 LEU 26 HB3 LEU 26 15.085 0.474 5.122
207 HG LEU 26 HG LEU 26 13.665 2.031 6.391
208 HD11 LEU 26 HD11 LEU 26 16.299 1.979 6.483
209 HD12 LEU 26 HD12 LEU 26 15.413 3.229 7.356
210 HD13 LEU 26 HD13 LEU 26 16.157 3.599 5.801
211 HD21 LEU 26 HD21 LEU 26 12.786 3.376 4.559
212 HD22 LEU 26 HD22 LEU 26 14.398 3.981 4.183
213 HD23 LEU 26 HD23 LEU 26 13.616 4.438 5.695
214 H LEU 27 HN LEU 27 15.577 0.102 1.736
215 HA LEU 27 HA LEU 27 18.299 -1.007 2.339
216 HB2 LEU 27 HB2 LEU 27 16.089 -2.221 3.126
217 HB3 LEU 27 HB3 LEU 27 15.982 -2.698 1.430
218 HG LEU 27 HG LEU 27 18.583 -3.277 1.891
219 HD11 LEU 27 HD11 LEU 27 18.896 -4.193 4.097
220 HD12 LEU 27 HD12 LEU 27 17.201 -3.923 4.509
221 HD13 LEU 27 HD13 LEU 27 18.289 -2.549 4.299
222 HD21 LEU 27 HD21 LEU 27 16.855 -4.802 0.983
223 HD22 LEU 27 HD22 LEU 27 16.237 -5.064 2.614
224 HD23 LEU 27 HD23 LEU 27 17.856 -5.615 2.186
225 HA PRO 28 HA PRO 28 17.577 -0.461 -2.253
226 HB2 PRO 28 HB2 PRO 28 18.534 2.059 -2.725
227 HB3 PRO 28 HB3 PRO 28 16.844 1.723 -2.306
228 HG2 PRO 28 HG2 PRO 28 18.905 3.018 -0.716
229 HG3 PRO 28 HG3 PRO 28 17.159 2.970 -0.470
230 HD2 PRO 28 HD2 PRO 28 19.216 1.395 0.830
231 HD3 PRO 28 HD3 PRO 28 17.490 1.501 1.204
232 H ASN 29 HN ASN 29 20.281 0.222 -0.151
233 HA ASN 29 HA ASN 29 22.280 0.003 -2.332
234 HB2 ASN 29 HB2 ASN 29 22.102 1.423 0.010
235 HB3 ASN 29 HB3 ASN 29 23.129 0.074 0.496
236 HD21 ASN 29 HD21 ASN 29 24.954 -0.409 -1.275
237 HD22 ASN 29 HD22 ASN 29 25.734 0.968 -1.893
238 H ARG 30 HN ARG 30 20.495 -2.274 -0.760
239 HA ARG 30 HA ARG 30 22.799 -4.160 -0.405
240 HB2 ARG 30 HB2 ARG 30 20.006 -3.998 0.757
241 HB3 ARG 30 HB3 ARG 30 21.028 -5.421 0.952
242 HG2 ARG 30 HG2 ARG 30 21.919 -2.633 1.732
243 HG3 ARG 30 HG3 ARG 30 21.145 -3.745 2.860
244 HD2 ARG 30 HD2 ARG 30 23.240 -5.170 1.507
245 HD3 ARG 30 HD3 ARG 30 23.905 -3.651 2.140
246 HE ARG 30 HE ARG 30 22.538 -5.736 3.780
247 HH11 ARG 30 HH21 ARG 30 25.436 -4.859 4.123
248 HH12 ARG 30 HH22 ARG 30 25.315 -3.824 5.507
249 HH21 ARG 30 HH11 ARG 30 21.861 -3.492 5.282
250 HH22 ARG 30 HH12 ARG 30 23.283 -3.047 6.166
Start of MODEL 28
1 HA HIS 1 HA HIS 1 -12.758 -15.051 5.683
2 HB2 HIS 1 HB2 HIS 1 -10.280 -16.690 6.103
3 HB3 HIS 1 HB3 HIS 1 -11.181 -16.154 7.521
4 HD1 HIS 1 HD1 HIS 1 -11.106 -18.805 5.068
5 HD2 HIS 1 HD2 HIS 1 -14.103 -16.900 7.252
6 HE1 HIS 1 HE1 HIS 1 -13.129 -20.326 4.987
7 H SER 2 HN SER 2 -12.763 -13.558 7.436
8 HA SER 2 HA SER 2 -10.288 -12.028 8.032
9 HB2 SER 2 HB2 SER 2 -11.659 -9.901 7.545
10 HB3 SER 2 HB3 SER 2 -11.119 -10.825 6.148
11 HG SER 2 HG SER 2 -13.543 -10.131 6.648
12 H VAL 3 HN VAL 3 -11.555 -13.731 9.784
13 HA VAL 3 HA VAL 3 -12.826 -13.922 11.779
14 HB VAL 3 HB VAL 3 -11.919 -12.301 13.433
15 HG11 VAL 3 HG11 VAL 3 -10.617 -14.284 12.735
16 HG12 VAL 3 HG12 VAL 3 -9.563 -12.925 13.132
17 HG13 VAL 3 HG13 VAL 3 -9.877 -13.335 11.445
18 HG21 VAL 3 HG21 VAL 3 -11.933 -10.338 11.819
19 HG22 VAL 3 HG22 VAL 3 -10.489 -11.034 11.082
20 HG23 VAL 3 HG23 VAL 3 -10.455 -10.513 12.766
21 H SER 4 HN SER 4 -14.517 -12.769 9.827
22 HA SER 4 HA SER 4 -16.668 -11.817 9.785
23 HB2 SER 4 HB2 SER 4 -16.411 -12.538 12.306
24 HB3 SER 4 HB3 SER 4 -16.298 -10.801 12.577
25 HG SER 4 HG SER 4 -18.472 -11.794 12.602
26 H HIS 5 HN HIS 5 -14.030 -9.872 11.070
27 HA HIS 5 HA HIS 5 -14.696 -7.658 9.308
28 HB2 HIS 5 HB2 HIS 5 -14.910 -6.123 11.455
29 HB3 HIS 5 HB3 HIS 5 -16.311 -6.987 10.838
30 HD1 HIS 5 HD1 HIS 5 -13.452 -7.891 13.226
31 HD2 HIS 5 HD2 HIS 5 -17.597 -8.232 12.928
32 HE1 HIS 5 HE1 HIS 5 -14.224 -9.096 15.314
33 H ALA 6 HN ALA 6 -12.463 -8.236 8.781
34 HA ALA 6 HA ALA 6 -10.414 -7.424 10.803
35 HB1 ALA 6 HB1 ALA 6 -9.980 -8.761 8.124
36 HB2 ALA 6 HB2 ALA 6 -10.449 -9.677 9.556
37 HB3 ALA 6 HB3 ALA 6 -8.925 -8.790 9.537
38 H ARG 7 HN ARG 7 -11.997 -5.395 9.410
39 HA ARG 7 HA ARG 7 -11.618 -3.294 8.423
40 HB2 ARG 7 HB2 ARG 7 -9.394 -3.782 9.734
41 HB3 ARG 7 HB3 ARG 7 -8.715 -4.021 8.124
42 HG2 ARG 7 HG2 ARG 7 -9.597 -1.772 7.469
43 HG3 ARG 7 HG3 ARG 7 -10.123 -1.532 9.136
44 HD2 ARG 7 HD2 ARG 7 -7.978 -0.474 9.005
45 HD3 ARG 7 HD3 ARG 7 -7.663 -2.036 9.787
46 HE ARG 7 HE ARG 7 -7.373 -2.718 7.175
47 HH11 ARG 7 HH11 ARG 7 -5.195 -1.691 9.271
48 HH12 ARG 7 HH12 ARG 7 -4.230 -0.734 8.196
49 HH21 ARG 7 HH21 ARG 7 -6.593 -0.744 5.645
50 HH22 ARG 7 HH22 ARG 7 -5.028 -0.188 6.140
51 HA PRO 8 HA PRO 8 -11.834 -4.546 4.168
52 HB2 PRO 8 HB2 PRO 8 -12.463 -2.095 3.122
53 HB3 PRO 8 HB3 PRO 8 -13.637 -3.109 3.985
54 HG2 PRO 8 HG2 PRO 8 -12.110 -0.745 4.948
55 HG3 PRO 8 HG3 PRO 8 -13.777 -1.228 5.291
56 HD2 PRO 8 HD2 PRO 8 -11.698 -1.613 7.021
57 HD3 PRO 8 HD3 PRO 8 -13.160 -2.623 6.992
58 H ARG 9 HN ARG 9 -9.706 -5.008 3.528
59 HA ARG 9 HA ARG 9 -7.536 -3.121 3.456
60 HB2 ARG 9 HB2 ARG 9 -8.154 -5.833 2.320
61 HB3 ARG 9 HB3 ARG 9 -6.703 -4.991 1.776
62 HG2 ARG 9 HG2 ARG 9 -6.424 -4.611 4.420
63 HG3 ARG 9 HG3 ARG 9 -7.351 -6.110 4.462
64 HD2 ARG 9 HD2 ARG 9 -5.077 -6.825 4.379
65 HD3 ARG 9 HD3 ARG 9 -5.634 -6.973 2.700
66 HE ARG 9 HE ARG 9 -4.396 -4.983 2.144
67 HH11 ARG 9 HH21 ARG 9 -2.287 -6.253 3.803
68 HH12 ARG 9 HH22 ARG 9 -1.860 -4.992 4.910
69 HH21 ARG 9 HH11 ARG 9 -4.737 -3.133 4.307
70 HH22 ARG 9 HH12 ARG 9 -3.256 -3.224 5.203
71 H TRP 10 HN TRP 10 -10.137 -3.803 1.192
72 HA TRP 10 HA TRP 10 -9.065 -2.946 -1.270
73 HB2 TRP 10 HB2 TRP 10 -11.691 -3.175 0.048
74 HB3 TRP 10 HB3 TRP 10 -11.653 -1.961 -1.229
75 HD1 TRP 10 HD1 TRP 10 -11.585 -2.774 -3.673
76 HE1 TRP 10 HE1 TRP 10 -11.547 -5.090 -4.804
77 HE3 TRP 10 HE3 TRP 10 -10.752 -5.735 0.405
78 HZ2 TRP 10 HZ2 TRP 10 -11.209 -7.835 -4.075
79 HZ3 TRP 10 HZ3 TRP 10 -10.576 -8.194 0.158
80 HH2 TRP 10 HH2 TRP 10 -10.803 -9.247 -2.076
81 H PHE 11 HN PHE 11 -9.003 -0.867 -2.298
82 HA PHE 11 HA PHE 11 -8.898 1.497 -2.452
83 HB2 PHE 11 HB2 PHE 11 -10.927 1.239 -0.827
84 HB3 PHE 11 HB3 PHE 11 -9.769 1.665 0.432
85 HD1 PHE 11 HD2 PHE 11 -11.343 2.827 -2.729
86 HD2 PHE 11 HD1 PHE 11 -8.953 3.902 0.676
87 HE1 PHE 11 HE2 PHE 11 -11.565 5.224 -3.330
88 HE2 PHE 11 HE1 PHE 11 -9.174 6.298 0.074
89 HZ PHE 11 HZ PHE 11 -10.480 6.958 -1.928
90 H TRP 12 HN TRP 12 -7.757 0.089 0.646
91 HA TRP 12 HA TRP 12 -5.636 2.054 0.994
92 HB2 TRP 12 HB2 TRP 12 -6.400 -0.592 2.233
93 HB3 TRP 12 HB3 TRP 12 -4.946 0.266 2.733
94 HD1 TRP 12 HD1 TRP 12 -8.245 -0.148 3.905
95 HE1 TRP 12 HE1 TRP 12 -9.125 1.902 5.195
96 HE3 TRP 12 HE3 TRP 12 -4.867 3.366 2.380
97 HZ2 TRP 12 HZ2 TRP 12 -8.484 4.671 5.529
98 HZ3 TRP 12 HZ3 TRP 12 -5.026 5.700 3.198
99 HH2 TRP 12 HH2 TRP 12 -6.829 6.356 4.768
100 H PHE 13 HN PHE 13 -5.871 -0.242 -1.358
101 HA PHE 13 HA PHE 13 -3.411 -1.684 -1.232
102 HB2 PHE 13 HB2 PHE 13 -5.492 -1.953 -2.747
103 HB3 PHE 13 HB3 PHE 13 -4.745 -0.716 -3.760
104 HD1 PHE 13 HD1 PHE 13 -4.391 -4.140 -2.413
105 HD2 PHE 13 HD2 PHE 13 -2.736 -1.167 -5.036
106 HE1 PHE 13 HE1 PHE 13 -2.917 -5.857 -3.430
107 HE2 PHE 13 HE2 PHE 13 -1.264 -2.884 -6.054
108 HZ PHE 13 HZ PHE 13 -1.354 -5.230 -5.251
109 H SER 14 HN SER 14 -4.214 1.483 -2.578
110 HA SER 14 HA SER 14 -1.684 2.065 -3.796
111 HB2 SER 14 HB2 SER 14 -3.987 3.233 -3.981
112 HB3 SER 14 HB3 SER 14 -3.544 4.062 -2.492
113 HG SER 14 HG SER 14 -2.953 5.224 -4.398
114 H LEU 15 HN LEU 15 -2.922 2.437 -0.533
115 HA LEU 15 HA LEU 15 -0.726 3.962 0.563
116 HB2 LEU 15 HB2 LEU 15 -3.028 3.725 1.522
117 HB3 LEU 15 HB3 LEU 15 -2.679 2.032 1.872
118 HG LEU 15 HG LEU 15 -0.556 3.702 2.900
119 HD11 LEU 15 HD11 LEU 15 -3.214 4.259 4.205
120 HD12 LEU 15 HD12 LEU 15 -2.619 5.295 2.907
121 HD13 LEU 15 HD13 LEU 15 -1.687 5.122 4.394
122 HD21 LEU 15 HD21 LEU 15 -1.265 2.560 5.027
123 HD22 LEU 15 HD22 LEU 15 -1.003 1.445 3.686
124 HD23 LEU 15 HD23 LEU 15 -2.643 1.890 4.155
125 H LEU 16 HN LEU 16 -1.465 0.467 0.395
126 HA LEU 16 HA LEU 16 0.796 -0.462 1.889
127 HB2 LEU 16 HB2 LEU 16 -1.388 -1.630 1.080
128 HB3 LEU 16 HB3 LEU 16 -0.498 -1.919 -0.414
129 HG LEU 16 HG LEU 16 0.971 -2.601 2.064
130 HD11 LEU 16 HD11 LEU 16 -1.238 -4.444 1.139
131 HD12 LEU 16 HD12 LEU 16 -1.486 -3.286 2.447
132 HD13 LEU 16 HD13 LEU 16 -0.268 -4.550 2.609
133 HD21 LEU 16 HD21 LEU 16 0.404 -4.318 -0.358
134 HD22 LEU 16 HD22 LEU 16 1.808 -4.357 0.710
135 HD23 LEU 16 HD23 LEU 16 1.594 -3.016 -0.416
136 H LEU 17 HN LEU 17 0.333 0.225 -1.540
137 HA LEU 17 HA LEU 17 2.836 -0.754 -2.515
138 HB2 LEU 17 HB2 LEU 17 0.669 0.061 -3.715
139 HB3 LEU 17 HB3 LEU 17 1.390 1.667 -3.587
140 HG LEU 17 HG LEU 17 3.212 -0.431 -4.595
141 HD11 LEU 17 HD11 LEU 17 2.235 -0.612 -6.777
142 HD12 LEU 17 HD12 LEU 17 1.003 0.591 -6.395
143 HD13 LEU 17 HD13 LEU 17 0.956 -0.996 -5.626
144 HD21 LEU 17 HD21 LEU 17 4.085 1.348 -5.828
145 HD22 LEU 17 HD22 LEU 17 3.418 2.198 -4.435
146 HD23 LEU 17 HD23 LEU 17 2.524 2.158 -5.954
147 H LEU 18 HN LEU 18 1.875 2.278 -1.037
148 HA LEU 18 HA LEU 18 4.335 3.722 -1.516
149 HB2 LEU 18 HB2 LEU 18 1.955 4.555 -0.922
150 HB3 LEU 18 HB3 LEU 18 2.378 4.157 0.745
151 HG LEU 18 HG LEU 18 4.452 5.706 -0.653
152 HD11 LEU 18 HD11 LEU 18 1.679 6.847 -0.229
153 HD12 LEU 18 HD12 LEU 18 2.608 6.813 -1.727
154 HD13 LEU 18 HD13 LEU 18 3.119 7.851 -0.396
155 HD21 LEU 18 HD21 LEU 18 2.940 6.371 1.879
156 HD22 LEU 18 HD22 LEU 18 4.596 6.803 1.453
157 HD23 LEU 18 HD23 LEU 18 4.193 5.131 1.847
158 H ALA 19 HN ALA 19 3.095 1.720 1.117
159 HA ALA 19 HA ALA 19 5.216 2.180 3.006
160 HB1 ALA 19 HB1 ALA 19 3.436 -0.242 2.552
161 HB2 ALA 19 HB2 ALA 19 2.992 1.179 3.498
162 HB3 ALA 19 HB3 ALA 19 4.303 0.131 4.041
163 H ALA 20 HN ALA 20 4.776 -0.212 0.398
164 HA ALA 20 HA ALA 20 7.093 -1.816 0.926
165 HB1 ALA 20 HB1 ALA 20 5.527 -1.138 -1.584
166 HB2 ALA 20 HB2 ALA 20 5.319 -2.549 -0.546
167 HB3 ALA 20 HB3 ALA 20 6.773 -2.386 -1.531
168 H GLY 21 HN GLY 21 6.629 1.127 -1.045
169 HA2 GLY 21 HA2 GLY 21 9.274 1.213 -2.153
170 HA3 GLY 21 HA3 GLY 21 8.188 2.597 -2.006
171 H VAL 22 HN VAL 22 7.884 2.480 0.864
172 HA VAL 22 HA VAL 22 10.134 4.041 1.721
173 HB VAL 22 HB VAL 22 8.011 2.508 3.271
174 HG11 VAL 22 HG11 VAL 22 8.483 4.181 5.064
175 HG12 VAL 22 HG12 VAL 22 9.846 4.772 4.114
176 HG13 VAL 22 HG13 VAL 22 9.859 3.126 4.743
177 HG21 VAL 22 HG21 VAL 22 7.732 4.643 1.498
178 HG22 VAL 22 HG22 VAL 22 7.775 5.417 3.082
179 HG23 VAL 22 HG23 VAL 22 6.572 4.174 2.741
180 H GLY 23 HN GLY 23 9.290 0.600 2.218
181 HA2 GLY 23 HA2 GLY 23 11.500 -0.040 3.931
182 HA3 GLY 23 HA3 GLY 23 10.589 -1.205 2.968
183 H ILE 24 HN ILE 24 11.098 -0.188 0.383
184 HA ILE 24 HA ILE 24 13.697 -1.312 -0.184
185 HB ILE 24 HB ILE 24 11.759 0.412 -1.775
186 HG12 ILE 24 HG12 ILE 24 12.290 -2.523 -2.176
187 HG13 ILE 24 HG13 ILE 24 11.204 -2.002 -0.887
188 HG21 ILE 24 HG21 ILE 24 14.229 -1.111 -2.656
189 HG22 ILE 24 HG22 ILE 24 13.935 0.621 -2.812
190 HG23 ILE 24 HG23 ILE 24 12.994 -0.522 -3.769
191 HD11 ILE 24 HD11 ILE 24 10.181 -0.509 -2.846
192 HD12 ILE 24 HD12 ILE 24 9.680 -2.183 -2.613
193 HD13 ILE 24 HD13 ILE 24 10.872 -1.784 -3.849
194 H TYR 25 HN TYR 25 12.527 2.046 0.211
195 HA TYR 25 HA TYR 25 14.916 3.368 -0.685
196 HB2 TYR 25 HB2 TYR 25 12.559 4.291 -0.201
197 HB3 TYR 25 HB3 TYR 25 13.050 4.329 1.495
198 HD1 TYR 25 HD1 TYR 25 13.668 5.722 -1.867
199 HD2 TYR 25 HD2 TYR 25 14.769 5.863 2.283
200 HE1 TYR 25 HE1 TYR 25 14.876 7.852 -2.259
201 HE2 TYR 25 HE2 TYR 25 15.974 7.993 1.891
202 HH TYR 25 HH TYR 25 15.558 9.966 -0.291
203 H LEU 26 HN LEU 26 14.054 1.791 2.340
204 HA LEU 26 HA LEU 26 16.322 2.898 3.849
205 HB2 LEU 26 HB2 LEU 26 14.015 1.056 4.242
206 HB3 LEU 26 HB3 LEU 26 15.423 0.748 5.260
207 HG LEU 26 HG LEU 26 14.374 3.552 4.969
208 HD11 LEU 26 HD11 LEU 26 12.374 2.545 5.663
209 HD12 LEU 26 HD12 LEU 26 13.142 2.949 7.199
210 HD13 LEU 26 HD13 LEU 26 13.210 1.296 6.586
211 HD21 LEU 26 HD21 LEU 26 16.564 3.077 6.077
212 HD22 LEU 26 HD22 LEU 26 15.721 2.061 7.246
213 HD23 LEU 26 HD23 LEU 26 15.390 3.792 7.182
214 H LEU 27 HN LEU 27 15.688 0.211 1.717
215 HA LEU 27 HA LEU 27 18.441 -0.860 2.228
216 HB2 LEU 27 HB2 LEU 27 16.064 -2.019 2.975
217 HB3 LEU 27 HB3 LEU 27 16.311 -2.742 1.388
218 HG LEU 27 HG LEU 27 17.356 -4.174 3.042
219 HD11 LEU 27 HD11 LEU 27 19.573 -4.304 2.174
220 HD12 LEU 27 HD12 LEU 27 19.615 -2.578 1.820
221 HD13 LEU 27 HD13 LEU 27 18.589 -3.650 0.866
222 HD21 LEU 27 HD21 LEU 27 17.576 -2.506 4.841
223 HD22 LEU 27 HD22 LEU 27 18.844 -1.682 3.934
224 HD23 LEU 27 HD23 LEU 27 19.118 -3.311 4.553
225 HA PRO 28 HA PRO 28 17.480 -0.436 -2.343
226 HB2 PRO 28 HB2 PRO 28 18.268 2.118 -2.921
227 HB3 PRO 28 HB3 PRO 28 16.624 1.705 -2.400
228 HG2 PRO 28 HG2 PRO 28 18.695 3.148 -0.960
229 HG3 PRO 28 HG3 PRO 28 16.972 3.009 -0.610
230 HD2 PRO 28 HD2 PRO 28 19.191 1.575 0.591
231 HD3 PRO 28 HD3 PRO 28 17.491 1.611 1.078
232 H ASN 29 HN ASN 29 20.244 0.416 -0.399
233 HA ASN 29 HA ASN 29 22.229 0.672 -2.474
234 HB2 ASN 29 HB2 ASN 29 22.457 -0.217 0.423
235 HB3 ASN 29 HB3 ASN 29 23.782 0.380 -0.575
236 HD21 ASN 29 HD21 ASN 29 21.945 1.444 1.876
237 HD22 ASN 29 HD22 ASN 29 21.754 3.076 1.451
238 H ARG 30 HN ARG 30 21.004 -2.121 -0.625
239 HA ARG 30 HA ARG 30 22.585 -3.912 -2.444
240 HB2 ARG 30 HB2 ARG 30 22.092 -3.890 0.520
241 HB3 ARG 30 HB3 ARG 30 22.360 -5.435 -0.289
242 HG2 ARG 30 HG2 ARG 30 24.225 -3.095 -0.700
243 HG3 ARG 30 HG3 ARG 30 24.440 -4.223 0.638
244 HD2 ARG 30 HD2 ARG 30 24.744 -6.084 -0.858
245 HD3 ARG 30 HD3 ARG 30 24.226 -5.120 -2.255
246 HE ARG 30 HE ARG 30 26.263 -3.695 -1.870
247 HH11 ARG 30 HH21 ARG 30 26.950 -4.786 0.850
248 HH12 ARG 30 HH22 ARG 30 28.252 -5.868 0.485
249 HH21 ARG 30 HH11 ARG 30 27.550 -5.971 -2.920
250 HH22 ARG 30 HH12 ARG 30 28.594 -6.542 -1.662
Start of MODEL 29
1 HA HIS 1 HA HIS 1 -15.547 2.654 -2.071
2 HB2 HIS 1 HB2 HIS 1 -17.374 2.716 -4.108
3 HB3 HIS 1 HB3 HIS 1 -17.656 4.286 -3.358
4 HD1 HIS 1 HD1 HIS 1 -15.182 2.380 -5.373
5 HD2 HIS 1 HD2 HIS 1 -15.337 6.025 -3.356
6 HE1 HIS 1 HE1 HIS 1 -13.185 3.721 -6.163
7 H SER 2 HN SER 2 -17.688 2.451 0.191
8 HA SER 2 HA SER 2 -17.782 5.361 0.919
9 HB2 SER 2 HB2 SER 2 -19.674 4.562 2.398
10 HB3 SER 2 HB3 SER 2 -19.966 4.333 0.677
11 HG SER 2 HG SER 2 -19.538 2.479 2.695
12 H VAL 3 HN VAL 3 -15.363 3.977 1.346
13 HA VAL 3 HA VAL 3 -13.774 3.529 3.022
14 HB VAL 3 HB VAL 3 -15.857 4.818 4.819
15 HG11 VAL 3 HG11 VAL 3 -13.098 3.943 5.154
16 HG12 VAL 3 HG12 VAL 3 -14.249 4.497 6.370
17 HG13 VAL 3 HG13 VAL 3 -13.274 5.666 5.482
18 HG21 VAL 3 HG21 VAL 3 -15.605 6.339 3.005
19 HG22 VAL 3 HG22 VAL 3 -13.880 6.004 2.860
20 HG23 VAL 3 HG23 VAL 3 -14.486 6.926 4.236
21 H SER 4 HN SER 4 -16.294 1.680 2.590
22 HA SER 4 HA SER 4 -16.134 0.198 5.181
23 HB2 SER 4 HB2 SER 4 -18.299 1.081 3.834
24 HB3 SER 4 HB3 SER 4 -18.107 -0.491 3.064
25 HG SER 4 HG SER 4 -18.329 -1.473 5.029
26 H HIS 5 HN HIS 5 -15.207 0.083 1.875
27 HA HIS 5 HA HIS 5 -14.737 -2.865 1.959
28 HB2 HIS 5 HB2 HIS 5 -15.627 -0.987 0.023
29 HB3 HIS 5 HB3 HIS 5 -14.048 -1.547 -0.522
30 HD1 HIS 5 HD1 HIS 5 -13.810 -4.045 -1.158
31 HD2 HIS 5 HD2 HIS 5 -17.638 -3.019 0.140
32 HE1 HIS 5 HE1 HIS 5 -15.309 -6.007 -1.720
33 H ALA 6 HN ALA 6 -13.061 -1.135 3.574
34 HA ALA 6 HA ALA 6 -10.491 -1.048 2.056
35 HB1 ALA 6 HB1 ALA 6 -9.814 0.413 3.985
36 HB2 ALA 6 HB2 ALA 6 -11.433 0.204 4.651
37 HB3 ALA 6 HB3 ALA 6 -11.214 1.025 3.106
38 H ARG 7 HN ARG 7 -12.096 -3.197 4.007
39 HA ARG 7 HA ARG 7 -10.168 -3.972 5.969
40 HB2 ARG 7 HB2 ARG 7 -12.711 -4.683 5.272
41 HB3 ARG 7 HB3 ARG 7 -11.812 -6.082 4.685
42 HG2 ARG 7 HG2 ARG 7 -10.869 -5.264 7.311
43 HG3 ARG 7 HG3 ARG 7 -12.600 -5.597 7.332
44 HD2 ARG 7 HD2 ARG 7 -11.447 -7.688 7.784
45 HD3 ARG 7 HD3 ARG 7 -12.085 -7.788 6.132
46 HE ARG 7 HE ARG 7 -9.329 -6.729 6.456
47 HH11 ARG 7 HH21 ARG 7 -10.721 -7.797 3.913
48 HH12 ARG 7 HH22 ARG 7 -9.888 -9.299 3.704
49 HH21 ARG 7 HH11 ARG 7 -8.569 -9.312 6.922
50 HH22 ARG 7 HH12 ARG 7 -8.667 -10.166 5.418
51 HA PRO 8 HA PRO 8 -8.451 -7.019 2.701
52 HB2 PRO 8 HB2 PRO 8 -9.218 -6.717 0.092
53 HB3 PRO 8 HB3 PRO 8 -10.098 -7.743 1.240
54 HG2 PRO 8 HG2 PRO 8 -10.747 -5.021 0.253
55 HG3 PRO 8 HG3 PRO 8 -11.825 -6.368 0.650
56 HD2 PRO 8 HD2 PRO 8 -11.380 -4.199 2.276
57 HD3 PRO 8 HD3 PRO 8 -11.945 -5.783 2.845
58 H ARG 9 HN ARG 9 -7.030 -6.646 0.483
59 HA ARG 9 HA ARG 9 -5.577 -4.108 0.942
60 HB2 ARG 9 HB2 ARG 9 -5.152 -6.652 -0.631
61 HB3 ARG 9 HB3 ARG 9 -4.077 -5.268 -0.827
62 HG2 ARG 9 HG2 ARG 9 -3.236 -5.435 1.326
63 HG3 ARG 9 HG3 ARG 9 -4.698 -6.198 1.950
64 HD2 ARG 9 HD2 ARG 9 -4.138 -8.290 0.773
65 HD3 ARG 9 HD3 ARG 9 -2.682 -7.530 0.102
66 HE ARG 9 HE ARG 9 -3.027 -7.542 3.061
67 HH11 ARG 9 HH21 ARG 9 -0.496 -6.810 1.472
68 HH12 ARG 9 HH22 ARG 9 0.472 -8.218 1.740
69 HH21 ARG 9 HH11 ARG 9 -2.188 -10.152 2.865
70 HH22 ARG 9 HH12 ARG 9 -0.489 -10.119 2.532
71 H TRP 10 HN TRP 10 -8.320 -4.315 -0.558
72 HA TRP 10 HA TRP 10 -7.788 -3.651 -3.329
73 HB2 TRP 10 HB2 TRP 10 -9.938 -4.451 -1.872
74 HB3 TRP 10 HB3 TRP 10 -10.275 -2.724 -1.975
75 HD1 TRP 10 HD1 TRP 10 -9.845 -1.759 -4.667
76 HE1 TRP 10 HE1 TRP 10 -10.830 -2.808 -6.807
77 HE3 TRP 10 HE3 TRP 10 -10.849 -6.468 -2.963
78 HZ2 TRP 10 HZ2 TRP 10 -11.902 -5.312 -7.681
79 HZ3 TRP 10 HZ3 TRP 10 -11.852 -8.162 -4.468
80 HH2 TRP 10 HH2 TRP 10 -12.379 -7.591 -6.822
81 H PHE 11 HN PHE 11 -9.233 -1.559 -0.794
82 HA PHE 11 HA PHE 11 -8.430 0.889 -2.166
83 HB2 PHE 11 HB2 PHE 11 -10.153 0.015 -0.033
84 HB3 PHE 11 HB3 PHE 11 -9.141 1.328 0.568
85 HD1 PHE 11 HD1 PHE 11 -11.690 0.366 -1.922
86 HD2 PHE 11 HD2 PHE 11 -9.281 3.568 -0.373
87 HE1 PHE 11 HE1 PHE 11 -13.089 2.011 -3.144
88 HE2 PHE 11 HE2 PHE 11 -10.678 5.210 -1.596
89 HZ PHE 11 HZ PHE 11 -12.580 4.432 -2.981
90 H TRP 12 HN TRP 12 -7.088 -1.137 0.375
91 HA TRP 12 HA TRP 12 -5.185 0.844 1.368
92 HB2 TRP 12 HB2 TRP 12 -6.160 -0.941 2.749
93 HB3 TRP 12 HB3 TRP 12 -5.467 -2.161 1.686
94 HD1 TRP 12 HD1 TRP 12 -2.945 -2.738 1.945
95 HE1 TRP 12 HE1 TRP 12 -1.155 -2.107 3.683
96 HE3 TRP 12 HE3 TRP 12 -5.368 1.046 4.371
97 HZ2 TRP 12 HZ2 TRP 12 -0.794 -0.244 5.828
98 HZ3 TRP 12 HZ3 TRP 12 -4.280 2.229 6.257
99 HH2 TRP 12 HH2 TRP 12 -1.999 1.590 6.988
100 H PHE 13 HN PHE 13 -5.267 -1.032 -1.453
101 HA PHE 13 HA PHE 13 -2.649 -2.006 -1.802
102 HB2 PHE 13 HB2 PHE 13 -4.358 -2.496 -3.401
103 HB3 PHE 13 HB3 PHE 13 -4.685 -0.786 -3.674
104 HD1 PHE 13 HD2 PHE 13 -1.812 -3.206 -3.858
105 HD2 PHE 13 HD1 PHE 13 -3.776 0.207 -5.573
106 HE1 PHE 13 HE2 PHE 13 -0.154 -3.179 -5.702
107 HE2 PHE 13 HE1 PHE 13 -2.119 0.235 -7.417
108 HZ PHE 13 HZ PHE 13 -0.307 -1.457 -7.481
109 H SER 14 HN SER 14 -3.875 1.217 -2.683
110 HA SER 14 HA SER 14 -1.418 2.341 -3.561
111 HB2 SER 14 HB2 SER 14 -2.606 4.507 -3.019
112 HB3 SER 14 HB3 SER 14 -3.559 3.390 -3.991
113 HG SER 14 HG SER 14 -4.913 3.926 -2.388
114 H LEU 15 HN LEU 15 -2.815 2.055 -0.342
115 HA LEU 15 HA LEU 15 -0.848 3.670 1.040
116 HB2 LEU 15 HB2 LEU 15 -3.266 2.621 1.636
117 HB3 LEU 15 HB3 LEU 15 -2.248 1.388 2.376
118 HG LEU 15 HG LEU 15 -2.836 3.184 3.982
119 HD11 LEU 15 HD11 LEU 15 -0.535 1.945 3.873
120 HD12 LEU 15 HD12 LEU 15 -0.698 3.352 4.924
121 HD13 LEU 15 HD13 LEU 15 0.088 3.512 3.354
122 HD21 LEU 15 HD21 LEU 15 -2.422 5.425 3.601
123 HD22 LEU 15 HD22 LEU 15 -2.709 4.906 1.941
124 HD23 LEU 15 HD23 LEU 15 -1.059 5.102 2.531
125 H LEU 16 HN LEU 16 -1.213 0.146 0.505
126 HA LEU 16 HA LEU 16 1.190 -0.634 1.879
127 HB2 LEU 16 HB2 LEU 16 -0.967 -1.895 0.843
128 HB3 LEU 16 HB3 LEU 16 0.187 -2.192 -0.457
129 HG LEU 16 HG LEU 16 1.083 -2.664 2.362
130 HD11 LEU 16 HD11 LEU 16 -1.190 -3.735 2.110
131 HD12 LEU 16 HD12 LEU 16 0.119 -4.878 2.409
132 HD13 LEU 16 HD13 LEU 16 -0.529 -4.686 0.780
133 HD21 LEU 16 HD21 LEU 16 2.349 -4.474 1.221
134 HD22 LEU 16 HD22 LEU 16 2.661 -2.899 0.490
135 HD23 LEU 16 HD23 LEU 16 1.572 -4.039 -0.301
136 H LEU 17 HN LEU 17 0.504 0.303 -1.445
137 HA LEU 17 HA LEU 17 3.043 -0.338 -2.608
138 HB2 LEU 17 HB2 LEU 17 0.869 0.251 -3.767
139 HB3 LEU 17 HB3 LEU 17 1.150 1.929 -3.302
140 HG LEU 17 HG LEU 17 3.481 0.687 -4.583
141 HD11 LEU 17 HD11 LEU 17 2.517 0.689 -6.852
142 HD12 LEU 17 HD12 LEU 17 0.929 1.061 -6.183
143 HD13 LEU 17 HD13 LEU 17 1.694 -0.487 -5.827
144 HD21 LEU 17 HD21 LEU 17 1.842 3.136 -5.305
145 HD22 LEU 17 HD22 LEU 17 3.510 2.802 -5.769
146 HD23 LEU 17 HD23 LEU 17 3.114 3.130 -4.083
147 H LEU 18 HN LEU 18 1.823 2.481 -0.895
148 HA LEU 18 HA LEU 18 4.121 4.182 -1.276
149 HB2 LEU 18 HB2 LEU 18 1.680 4.699 -0.538
150 HB3 LEU 18 HB3 LEU 18 2.225 4.232 1.073
151 HG LEU 18 HG LEU 18 4.149 5.905 0.727
152 HD11 LEU 18 HD11 LEU 18 2.290 6.668 -1.540
153 HD12 LEU 18 HD12 LEU 18 4.003 6.263 -1.646
154 HD13 LEU 18 HD13 LEU 18 3.500 7.766 -0.875
155 HD21 LEU 18 HD21 LEU 18 2.726 7.800 1.416
156 HD22 LEU 18 HD22 LEU 18 2.215 6.314 2.218
157 HD23 LEU 18 HD23 LEU 18 1.296 6.938 0.848
158 H ALA 19 HN ALA 19 3.169 1.842 1.183
159 HA ALA 19 HA ALA 19 5.330 2.346 3.034
160 HB1 ALA 19 HB1 ALA 19 3.910 -0.289 2.621
161 HB2 ALA 19 HB2 ALA 19 3.059 1.102 3.295
162 HB3 ALA 19 HB3 ALA 19 4.460 0.433 4.134
163 H ALA 20 HN ALA 20 4.941 0.199 0.228
164 HA ALA 20 HA ALA 20 7.347 -1.345 0.592
165 HB1 ALA 20 HB1 ALA 20 5.670 -2.188 -0.856
166 HB2 ALA 20 HB2 ALA 20 6.942 -1.661 -1.957
167 HB3 ALA 20 HB3 ALA 20 5.517 -0.652 -1.710
168 H GLY 21 HN GLY 21 6.650 1.680 -1.185
169 HA2 GLY 21 HA2 GLY 21 9.234 1.949 -2.406
170 HA3 GLY 21 HA3 GLY 21 8.098 3.272 -2.128
171 H VAL 22 HN VAL 22 7.888 3.275 0.633
172 HA VAL 22 HA VAL 22 10.284 4.651 1.459
173 HB VAL 22 HB VAL 22 7.905 3.497 2.963
174 HG11 VAL 22 HG11 VAL 22 9.634 3.813 4.593
175 HG12 VAL 22 HG12 VAL 22 8.590 5.229 4.707
176 HG13 VAL 22 HG13 VAL 22 10.134 5.338 3.863
177 HG21 VAL 22 HG21 VAL 22 8.509 6.365 2.190
178 HG22 VAL 22 HG22 VAL 22 6.998 5.725 2.836
179 HG23 VAL 22 HG23 VAL 22 7.515 5.292 1.206
180 H GLY 23 HN GLY 23 9.024 1.367 2.102
181 HA2 GLY 23 HA2 GLY 23 11.077 0.568 3.936
182 HA3 GLY 23 HA3 GLY 23 10.072 -0.534 2.993
183 H ILE 24 HN ILE 24 10.764 0.127 0.391
184 HA ILE 24 HA ILE 24 13.269 -1.243 0.032
185 HB ILE 24 HB ILE 24 11.392 0.370 -1.710
186 HG12 ILE 24 HG12 ILE 24 12.229 -2.538 -1.862
187 HG13 ILE 24 HG13 ILE 24 10.876 -1.986 -0.877
188 HG21 ILE 24 HG21 ILE 24 12.781 -0.541 -3.654
189 HG22 ILE 24 HG22 ILE 24 14.052 -0.860 -2.473
190 HG23 ILE 24 HG23 ILE 24 13.504 0.793 -2.754
191 HD11 ILE 24 HD11 ILE 24 11.169 -1.882 -3.880
192 HD12 ILE 24 HD12 ILE 24 10.007 -0.859 -3.034
193 HD13 ILE 24 HD13 ILE 24 9.876 -2.615 -2.930
194 H TYR 25 HN TYR 25 12.428 2.228 0.170
195 HA TYR 25 HA TYR 25 14.941 3.244 -0.788
196 HB2 TYR 25 HB2 TYR 25 12.729 4.466 -0.413
197 HB3 TYR 25 HB3 TYR 25 13.142 4.498 1.303
198 HD1 TYR 25 HD2 TYR 25 14.106 5.683 -2.064
199 HD2 TYR 25 HD1 TYR 25 14.956 5.873 2.143
200 HE1 TYR 25 HE2 TYR 25 15.569 7.648 -2.447
201 HE2 TYR 25 HE1 TYR 25 16.420 7.838 1.759
202 HH TYR 25 HH TYR 25 17.802 8.642 -0.708
203 H LEU 26 HN LEU 26 13.922 1.932 2.312
204 HA LEU 26 HA LEU 26 16.262 2.896 3.796
205 HB2 LEU 26 HB2 LEU 26 13.780 1.368 4.233
206 HB3 LEU 26 HB3 LEU 26 15.141 0.764 5.177
207 HG LEU 26 HG LEU 26 15.517 3.342 5.677
208 HD11 LEU 26 HD11 LEU 26 12.532 3.182 5.158
209 HD12 LEU 26 HD12 LEU 26 13.685 4.051 4.146
210 HD13 LEU 26 HD13 LEU 26 13.405 4.570 5.808
211 HD21 LEU 26 HD21 LEU 26 15.107 1.760 7.441
212 HD22 LEU 26 HD22 LEU 26 13.431 1.540 6.938
213 HD23 LEU 26 HD23 LEU 26 13.943 3.066 7.659
214 H LEU 27 HN LEU 27 15.391 0.129 1.822
215 HA LEU 27 HA LEU 27 18.106 -1.053 2.300
216 HB2 LEU 27 HB2 LEU 27 15.932 -2.099 3.382
217 HB3 LEU 27 HB3 LEU 27 15.658 -2.715 1.751
218 HG LEU 27 HG LEU 27 18.222 -3.419 1.976
219 HD11 LEU 27 HD11 LEU 27 18.806 -4.061 4.241
220 HD12 LEU 27 HD12 LEU 27 17.232 -3.538 4.839
221 HD13 LEU 27 HD13 LEU 27 18.388 -2.348 4.243
222 HD21 LEU 27 HD21 LEU 27 17.443 -5.636 2.768
223 HD22 LEU 27 HD22 LEU 27 16.342 -4.958 1.569
224 HD23 LEU 27 HD23 LEU 27 15.920 -4.909 3.281
225 HA PRO 28 HA PRO 28 17.023 -0.814 -2.234
226 HB2 PRO 28 HB2 PRO 28 18.141 1.579 -2.963
227 HB3 PRO 28 HB3 PRO 28 16.472 1.414 -2.388
228 HG2 PRO 28 HG2 PRO 28 18.747 2.643 -1.068
229 HG3 PRO 28 HG3 PRO 28 17.033 2.729 -0.664
230 HD2 PRO 28 HD2 PRO 28 19.104 1.077 0.531
231 HD3 PRO 28 HD3 PRO 28 17.444 1.356 1.077
232 H ASN 29 HN ASN 29 19.989 -0.210 -0.460
233 HA ASN 29 HA ASN 29 21.799 -0.566 -2.731
234 HB2 ASN 29 HB2 ASN 29 21.947 -0.255 0.240
235 HB3 ASN 29 HB3 ASN 29 23.349 -0.948 -0.576
236 HD21 ASN 29 HD21 ASN 29 24.675 0.468 -1.825
237 HD22 ASN 29 HD22 ASN 29 24.356 2.125 -2.001
238 H ARG 30 HN ARG 30 20.523 -2.656 -0.135
239 HA ARG 30 HA ARG 30 21.343 -5.045 -1.705
240 HB2 ARG 30 HB2 ARG 30 22.857 -3.991 0.405
241 HB3 ARG 30 HB3 ARG 30 21.970 -5.331 1.131
242 HG2 ARG 30 HG2 ARG 30 23.488 -6.724 0.221
243 HG3 ARG 30 HG3 ARG 30 22.830 -6.303 -1.360
244 HD2 ARG 30 HD2 ARG 30 24.616 -4.208 -0.412
245 HD3 ARG 30 HD3 ARG 30 25.442 -5.779 -0.462
246 HE ARG 30 HE ARG 30 23.893 -4.710 -2.798
247 HH11 ARG 30 HH11 ARG 30 24.747 -7.529 -3.006
248 HH12 ARG 30 HH12 ARG 30 26.288 -7.413 -3.787
249 HH21 ARG 30 HH21 ARG 30 26.670 -4.026 -3.096
250 HH22 ARG 30 HH22 ARG 30 27.384 -5.418 -3.839
Start of MODEL 30
1 HA HIS 1 HA HIS 1 -17.227 15.367 -3.202
2 HB2 HIS 1 HB2 HIS 1 -19.895 13.941 -3.102
3 HB3 HIS 1 HB3 HIS 1 -18.538 13.424 -2.101
4 HD1 HIS 1 HD1 HIS 1 -17.762 15.029 -0.204
5 HD2 HIS 1 HD2 HIS 1 -21.048 16.435 -2.351
6 HE1 HIS 1 HE1 HIS 1 -18.700 16.977 1.115
7 H SER 2 HN SER 2 -15.534 14.183 -4.018
8 HA SER 2 HA SER 2 -16.125 11.611 -5.421
9 HB2 SER 2 HB2 SER 2 -15.605 13.904 -6.780
10 HB3 SER 2 HB3 SER 2 -13.961 13.324 -6.529
11 HG SER 2 HG SER 2 -16.102 12.150 -7.921
12 H VAL 3 HN VAL 3 -15.289 11.589 -2.833
13 HA VAL 3 HA VAL 3 -13.594 10.840 -1.373
14 HB VAL 3 HB VAL 3 -12.352 9.794 -3.932
15 HG11 VAL 3 HG11 VAL 3 -11.124 9.428 -1.805
16 HG12 VAL 3 HG12 VAL 3 -11.707 7.914 -2.494
17 HG13 VAL 3 HG13 VAL 3 -12.554 8.646 -1.131
18 HG21 VAL 3 HG21 VAL 3 -14.650 9.209 -4.173
19 HG22 VAL 3 HG22 VAL 3 -14.827 8.881 -2.449
20 HG23 VAL 3 HG23 VAL 3 -13.894 7.782 -3.464
21 H SER 4 HN SER 4 -13.155 13.460 -1.722
22 HA SER 4 HA SER 4 -10.530 14.035 -2.896
23 HB2 SER 4 HB2 SER 4 -12.626 15.535 -2.723
24 HB3 SER 4 HB3 SER 4 -12.143 15.791 -1.048
25 HG SER 4 HG SER 4 -11.320 17.220 -2.916
26 H HIS 5 HN HIS 5 -11.646 12.933 0.162
27 HA HIS 5 HA HIS 5 -9.157 13.851 1.537
28 HB2 HIS 5 HB2 HIS 5 -11.916 12.984 2.348
29 HB3 HIS 5 HB3 HIS 5 -10.601 12.836 3.514
30 HD1 HIS 5 HD1 HIS 5 -10.368 14.859 4.936
31 HD2 HIS 5 HD2 HIS 5 -11.768 15.834 1.133
32 HE1 HIS 5 HE1 HIS 5 -10.704 17.369 4.916
33 H ALA 6 HN ALA 6 -9.627 11.424 -0.412
34 HA ALA 6 HA ALA 6 -7.884 9.565 1.031
35 HB1 ALA 6 HB1 ALA 6 -10.209 9.157 1.923
36 HB2 ALA 6 HB2 ALA 6 -9.504 7.747 1.131
37 HB3 ALA 6 HB3 ALA 6 -10.707 8.722 0.288
38 H ARG 7 HN ARG 7 -7.119 10.703 -1.220
39 HA ARG 7 HA ARG 7 -8.009 9.729 -3.733
40 HB2 ARG 7 HB2 ARG 7 -5.761 11.174 -2.583
41 HB3 ARG 7 HB3 ARG 7 -5.236 10.136 -3.907
42 HG2 ARG 7 HG2 ARG 7 -6.022 11.671 -5.350
43 HG3 ARG 7 HG3 ARG 7 -7.649 11.314 -4.773
44 HD2 ARG 7 HD2 ARG 7 -7.440 13.018 -3.018
45 HD3 ARG 7 HD3 ARG 7 -5.770 13.350 -3.518
46 HE ARG 7 HE ARG 7 -8.127 14.335 -4.860
47 HH11 ARG 7 HH11 ARG 7 -5.428 15.597 -5.092
48 HH12 ARG 7 HH12 ARG 7 -5.000 15.257 -6.736
49 HH21 ARG 7 HH21 ARG 7 -7.403 12.773 -7.120
50 HH22 ARG 7 HH22 ARG 7 -6.123 13.652 -7.889
51 HA PRO 8 HA PRO 8 -4.733 6.253 -3.473
52 HB2 PRO 8 HB2 PRO 8 -3.562 5.719 -1.049
53 HB3 PRO 8 HB3 PRO 8 -2.885 6.855 -2.230
54 HG2 PRO 8 HG2 PRO 8 -4.462 7.407 0.232
55 HG3 PRO 8 HG3 PRO 8 -3.086 8.287 -0.450
56 HD2 PRO 8 HD2 PRO 8 -5.676 9.105 -0.698
57 HD3 PRO 8 HD3 PRO 8 -4.401 9.504 -1.870
58 H ARG 9 HN ARG 9 -5.245 5.596 -0.052
59 HA ARG 9 HA ARG 9 -6.345 3.689 0.876
60 HB2 ARG 9 HB2 ARG 9 -7.698 5.776 1.121
61 HB3 ARG 9 HB3 ARG 9 -8.571 5.360 -0.353
62 HG2 ARG 9 HG2 ARG 9 -9.776 3.708 0.672
63 HG3 ARG 9 HG3 ARG 9 -8.422 3.212 1.688
64 HD2 ARG 9 HD2 ARG 9 -8.806 5.464 2.936
65 HD3 ARG 9 HD3 ARG 9 -10.399 5.445 2.150
66 HE ARG 9 HE ARG 9 -9.394 3.355 4.027
67 HH11 ARG 9 HH21 ARG 9 -11.811 5.083 4.585
68 HH12 ARG 9 HH22 ARG 9 -13.109 4.012 4.179
69 HH21 ARG 9 HH11 ARG 9 -11.080 1.812 2.410
70 HH22 ARG 9 HH12 ARG 9 -12.693 2.150 2.939
71 H TRP 10 HN TRP 10 -9.098 3.754 -1.226
72 HA TRP 10 HA TRP 10 -9.966 2.019 -2.595
73 HB2 TRP 10 HB2 TRP 10 -7.310 2.872 -3.540
74 HB3 TRP 10 HB3 TRP 10 -7.722 1.239 -4.061
75 HD1 TRP 10 HD1 TRP 10 -8.644 4.869 -4.563
76 HE1 TRP 10 HE1 TRP 10 -10.389 5.054 -6.454
77 HE3 TRP 10 HE3 TRP 10 -9.754 -0.072 -5.233
78 HZ2 TRP 10 HZ2 TRP 10 -12.034 3.336 -8.041
79 HZ3 TRP 10 HZ3 TRP 10 -11.411 -0.768 -6.939
80 HH2 TRP 10 HH2 TRP 10 -12.552 0.928 -8.342
81 H PHE 11 HN PHE 11 -9.869 0.960 -0.295
82 HA PHE 11 HA PHE 11 -9.517 -0.995 0.985
83 HB2 PHE 11 HB2 PHE 11 -8.323 -1.968 -1.650
84 HB3 PHE 11 HB3 PHE 11 -8.767 -2.996 -0.291
85 HD1 PHE 11 HD2 PHE 11 -11.173 -3.175 0.409
86 HD2 PHE 11 HD1 PHE 11 -9.974 -1.148 -3.185
87 HE1 PHE 11 HE2 PHE 11 -13.502 -3.291 -0.435
88 HE2 PHE 11 HE1 PHE 11 -12.303 -1.262 -4.027
89 HZ PHE 11 HZ PHE 11 -14.067 -2.335 -2.652
90 H TRP 12 HN TRP 12 -7.627 1.255 0.723
91 HA TRP 12 HA TRP 12 -5.421 1.895 1.215
92 HB2 TRP 12 HB2 TRP 12 -6.231 -0.385 2.932
93 HB3 TRP 12 HB3 TRP 12 -4.527 0.050 2.965
94 HD1 TRP 12 HD1 TRP 12 -4.246 2.941 3.112
95 HE1 TRP 12 HE1 TRP 12 -5.378 4.453 4.867
96 HE3 TRP 12 HE3 TRP 12 -8.093 -0.099 4.540
97 HZ2 TRP 12 HZ2 TRP 12 -7.624 4.384 6.635
98 HZ3 TRP 12 HZ3 TRP 12 -9.715 0.652 6.259
99 HH2 TRP 12 HH2 TRP 12 -9.485 2.887 7.306
100 H PHE 13 HN PHE 13 -5.736 0.292 -1.193
101 HA PHE 13 HA PHE 13 -3.540 -1.638 -1.313
102 HB2 PHE 13 HB2 PHE 13 -5.626 -1.816 -2.647
103 HB3 PHE 13 HB3 PHE 13 -5.239 -0.287 -3.438
104 HD1 PHE 13 HD2 PHE 13 -4.227 -3.828 -3.046
105 HD2 PHE 13 HD1 PHE 13 -3.536 -0.144 -5.146
106 HE1 PHE 13 HE2 PHE 13 -2.828 -5.033 -4.704
107 HE2 PHE 13 HE1 PHE 13 -2.138 -1.349 -6.802
108 HZ PHE 13 HZ PHE 13 -1.783 -3.794 -6.581
109 H SER 14 HN SER 14 -4.180 1.552 -2.738
110 HA SER 14 HA SER 14 -1.596 1.978 -3.878
111 HB2 SER 14 HB2 SER 14 -3.523 4.026 -2.742
112 HB3 SER 14 HB3 SER 14 -2.333 4.297 -4.012
113 HG SER 14 HG SER 14 -4.145 3.895 -5.125
114 H LEU 15 HN LEU 15 -2.891 2.476 -0.664
115 HA LEU 15 HA LEU 15 -0.699 3.992 0.443
116 HB2 LEU 15 HB2 LEU 15 -3.204 3.380 1.202
117 HB3 LEU 15 HB3 LEU 15 -2.362 2.108 2.081
118 HG LEU 15 HG LEU 15 -2.668 4.180 3.437
119 HD11 LEU 15 HD11 LEU 15 0.271 3.926 2.869
120 HD12 LEU 15 HD12 LEU 15 -0.614 2.546 3.519
121 HD13 LEU 15 HD13 LEU 15 -0.557 4.062 4.420
122 HD21 LEU 15 HD21 LEU 15 -2.308 5.623 1.271
123 HD22 LEU 15 HD22 LEU 15 -0.602 5.507 1.699
124 HD23 LEU 15 HD23 LEU 15 -1.745 6.241 2.823
125 H LEU 16 HN LEU 16 -1.459 0.502 0.286
126 HA LEU 16 HA LEU 16 0.778 -0.419 1.834
127 HB2 LEU 16 HB2 LEU 16 -1.405 -1.595 1.053
128 HB3 LEU 16 HB3 LEU 16 -0.534 -1.899 -0.449
129 HG LEU 16 HG LEU 16 0.949 -2.564 2.031
130 HD11 LEU 16 HD11 LEU 16 -0.264 -4.736 2.258
131 HD12 LEU 16 HD12 LEU 16 -1.476 -4.145 1.121
132 HD13 LEU 16 HD13 LEU 16 -1.267 -3.348 2.682
133 HD21 LEU 16 HD21 LEU 16 1.022 -4.735 0.385
134 HD22 LEU 16 HD22 LEU 16 2.115 -3.360 0.233
135 HD23 LEU 16 HD23 LEU 16 0.678 -3.460 -0.784
136 H LEU 17 HN LEU 17 0.335 0.182 -1.617
137 HA LEU 17 HA LEU 17 2.849 -0.824 -2.542
138 HB2 LEU 17 HB2 LEU 17 0.659 0.003 -3.751
139 HB3 LEU 17 HB3 LEU 17 1.469 1.569 -3.730
140 HG LEU 17 HG LEU 17 3.169 -0.676 -4.620
141 HD11 LEU 17 HD11 LEU 17 2.146 -0.971 -6.763
142 HD12 LEU 17 HD12 LEU 17 0.993 0.329 -6.469
143 HD13 LEU 17 HD13 LEU 17 0.859 -1.188 -5.577
144 HD21 LEU 17 HD21 LEU 17 4.074 0.972 -6.024
145 HD22 LEU 17 HD22 LEU 17 3.538 1.920 -4.637
146 HD23 LEU 17 HD23 LEU 17 2.559 1.873 -6.104
147 H LEU 18 HN LEU 18 1.856 2.263 -1.202
148 HA LEU 18 HA LEU 18 4.312 3.704 -1.683
149 HB2 LEU 18 HB2 LEU 18 1.956 4.577 -1.145
150 HB3 LEU 18 HB3 LEU 18 2.294 4.145 0.530
151 HG LEU 18 HG LEU 18 4.482 5.664 -0.678
152 HD11 LEU 18 HD11 LEU 18 1.826 7.085 -0.335
153 HD12 LEU 18 HD12 LEU 18 2.494 6.628 -1.902
154 HD13 LEU 18 HD13 LEU 18 3.347 7.788 -0.884
155 HD21 LEU 18 HD21 LEU 18 2.704 6.319 1.688
156 HD22 LEU 18 HD22 LEU 18 4.363 6.849 1.412
157 HD23 LEU 18 HD23 LEU 18 4.027 5.156 1.775
158 H ALA 19 HN ALA 19 3.055 1.783 1.003
159 HA ALA 19 HA ALA 19 5.170 2.277 2.884
160 HB1 ALA 19 HB1 ALA 19 3.609 -0.297 2.619
161 HB2 ALA 19 HB2 ALA 19 2.818 1.193 3.132
162 HB3 ALA 19 HB3 ALA 19 4.134 0.518 4.093
163 H ALA 20 HN ALA 20 4.748 -0.141 0.302
164 HA ALA 20 HA ALA 20 7.043 -1.762 0.887
165 HB1 ALA 20 HB1 ALA 20 6.610 -2.667 -1.285
166 HB2 ALA 20 HB2 ALA 20 5.894 -1.157 -1.849
167 HB3 ALA 20 HB3 ALA 20 5.034 -2.157 -0.677
168 H GLY 21 HN GLY 21 6.619 1.154 -1.132
169 HA2 GLY 21 HA2 GLY 21 9.278 1.205 -2.210
170 HA3 GLY 21 HA3 GLY 21 8.200 2.597 -2.099
171 H VAL 22 HN VAL 22 7.858 2.510 0.774
172 HA VAL 22 HA VAL 22 10.105 4.077 1.636
173 HB VAL 22 HB VAL 22 7.945 2.590 3.178
174 HG11 VAL 22 HG11 VAL 22 8.397 4.345 4.923
175 HG12 VAL 22 HG12 VAL 22 9.816 4.831 3.997
176 HG13 VAL 22 HG13 VAL 22 9.731 3.214 4.695
177 HG21 VAL 22 HG21 VAL 22 6.525 4.252 2.589
178 HG22 VAL 22 HG22 VAL 22 7.706 4.688 1.356
179 HG23 VAL 22 HG23 VAL 22 7.729 5.496 2.922
180 H GLY 23 HN GLY 23 9.222 0.653 2.179
181 HA2 GLY 23 HA2 GLY 23 11.396 0.025 3.942
182 HA3 GLY 23 HA3 GLY 23 10.493 -1.150 2.985
183 H ILE 24 HN ILE 24 11.058 -0.139 0.393
184 HA ILE 24 HA ILE 24 13.648 -1.311 -0.118
185 HB ILE 24 HB ILE 24 11.749 0.421 -1.744
186 HG12 ILE 24 HG12 ILE 24 10.878 -1.790 -1.058
187 HG13 ILE 24 HG13 ILE 24 11.150 -1.730 -2.799
188 HG21 ILE 24 HG21 ILE 24 13.890 0.679 -2.786
189 HG22 ILE 24 HG22 ILE 24 13.034 -0.549 -3.720
190 HG23 ILE 24 HG23 ILE 24 14.277 -1.028 -2.564
191 HD11 ILE 24 HD11 ILE 24 13.468 -2.739 -2.298
192 HD12 ILE 24 HD12 ILE 24 12.076 -3.808 -2.119
193 HD13 ILE 24 HD13 ILE 24 12.831 -3.097 -0.693
194 H TYR 25 HN TYR 25 12.528 2.055 0.293
195 HA TYR 25 HA TYR 25 14.938 3.357 -0.577
196 HB2 TYR 25 HB2 TYR 25 12.557 4.265 -0.027
197 HB3 TYR 25 HB3 TYR 25 13.142 4.348 1.637
198 HD1 TYR 25 HD2 TYR 25 14.999 5.840 2.253
199 HD2 TYR 25 HD1 TYR 25 13.470 5.712 -1.760
200 HE1 TYR 25 HE2 TYR 25 16.177 7.960 1.736
201 HE2 TYR 25 HE1 TYR 25 14.649 7.831 -2.277
202 HH TYR 25 HH TYR 25 15.552 9.939 -0.387
203 H LEU 26 HN LEU 26 14.062 1.695 2.390
204 HA LEU 26 HA LEU 26 16.300 2.754 3.966
205 HB2 LEU 26 HB2 LEU 26 13.981 0.948 4.257
206 HB3 LEU 26 HB3 LEU 26 15.393 0.443 5.183
207 HG LEU 26 HG LEU 26 15.474 3.004 5.855
208 HD11 LEU 26 HD11 LEU 26 12.533 2.557 5.255
209 HD12 LEU 26 HD12 LEU 26 13.602 3.616 4.337
210 HD13 LEU 26 HD13 LEU 26 13.234 3.982 6.021
211 HD21 LEU 26 HD21 LEU 26 13.559 0.927 6.959
212 HD22 LEU 26 HD22 LEU 26 13.934 2.437 7.788
213 HD23 LEU 26 HD23 LEU 26 15.207 1.253 7.496
214 H LEU 27 HN LEU 27 15.696 0.097 1.758
215 HA LEU 27 HA LEU 27 18.498 -0.881 2.189
216 HB2 LEU 27 HB2 LEU 27 16.490 -2.227 3.152
217 HB3 LEU 27 HB3 LEU 27 16.141 -2.630 1.472
218 HG LEU 27 HG LEU 27 18.393 -3.583 1.213
219 HD11 LEU 27 HD11 LEU 27 18.722 -2.419 3.950
220 HD12 LEU 27 HD12 LEU 27 19.868 -2.476 2.610
221 HD13 LEU 27 HD13 LEU 27 19.574 -3.919 3.580
222 HD21 LEU 27 HD21 LEU 27 18.140 -5.484 2.851
223 HD22 LEU 27 HD22 LEU 27 16.666 -5.111 1.956
224 HD23 LEU 27 HD23 LEU 27 16.844 -4.571 3.625
225 HA PRO 28 HA PRO 28 17.456 -0.347 -2.342
226 HB2 PRO 28 HB2 PRO 28 18.293 2.210 -2.857
227 HB3 PRO 28 HB3 PRO 28 16.644 1.808 -2.346
228 HG2 PRO 28 HG2 PRO 28 18.744 3.174 -0.866
229 HG3 PRO 28 HG3 PRO 28 17.017 3.064 -0.527
230 HD2 PRO 28 HD2 PRO 28 19.188 1.565 0.665
231 HD3 PRO 28 HD3 PRO 28 17.477 1.595 1.114
232 H ASN 29 HN ASN 29 20.263 0.495 -0.421
233 HA ASN 29 HA ASN 29 22.161 0.421 -2.664
234 HB2 ASN 29 HB2 ASN 29 22.268 1.757 -0.454
235 HB3 ASN 29 HB3 ASN 29 22.750 0.235 0.296
236 HD21 ASN 29 HD21 ASN 29 23.655 2.256 -2.568
237 HD22 ASN 29 HD22 ASN 29 25.318 1.944 -2.437
238 H ARG 30 HN ARG 30 21.104 -1.749 -0.046
239 HA ARG 30 HA ARG 30 21.419 -4.057 0.283
240 HB2 ARG 30 HB2 ARG 30 21.028 -3.512 -2.467
241 HB3 ARG 30 HB3 ARG 30 22.327 -4.703 -2.392
242 HG2 ARG 30 HG2 ARG 30 20.441 -6.077 -2.377
243 HG3 ARG 30 HG3 ARG 30 20.756 -5.894 -0.651
244 HD2 ARG 30 HD2 ARG 30 19.171 -3.772 -0.917
245 HD3 ARG 30 HD3 ARG 30 18.565 -4.691 -2.309
246 HE ARG 30 HE ARG 30 18.608 -5.720 0.502
247 HH11 ARG 30 HH11 ARG 30 18.660 -7.823 -1.645
248 HH12 ARG 30 HH12 ARG 30 16.973 -8.145 -1.875
249 HH21 ARG 30 HH21 ARG 30 15.933 -5.241 -0.272
250 HH22 ARG 30 HH22 ARG 30 15.423 -6.678 -1.096
Start of MODEL 31
1 HA HIS 1 HA HIS 1 -11.730 -1.161 16.770
2 HB2 HIS 1 HB2 HIS 1 -11.047 0.701 15.264
3 HB3 HIS 1 HB3 HIS 1 -9.415 0.619 15.926
4 HD1 HIS 1 HD1 HIS 1 -8.178 -0.253 13.885
5 HD2 HIS 1 HD2 HIS 1 -11.491 -2.591 14.860
6 HE1 HIS 1 HE1 HIS 1 -8.048 -2.326 12.434
7 H SER 2 HN SER 2 -10.751 -3.104 17.263
8 HA SER 2 HA SER 2 -8.177 -3.020 18.812
9 HB2 SER 2 HB2 SER 2 -10.649 -3.821 19.662
10 HB3 SER 2 HB3 SER 2 -9.996 -5.346 19.071
11 HG SER 2 HG SER 2 -8.504 -5.308 20.596
12 H VAL 3 HN VAL 3 -8.285 -3.183 15.923
13 HA VAL 3 HA VAL 3 -7.459 -4.474 14.131
14 HB VAL 3 HB VAL 3 -6.131 -6.019 16.382
15 HG11 VAL 3 HG11 VAL 3 -5.747 -6.914 14.131
16 HG12 VAL 3 HG12 VAL 3 -4.271 -6.158 14.732
17 HG13 VAL 3 HG13 VAL 3 -5.280 -5.314 13.555
18 HG21 VAL 3 HG21 VAL 3 -5.709 -3.762 16.969
19 HG22 VAL 3 HG22 VAL 3 -5.587 -3.256 15.285
20 HG23 VAL 3 HG23 VAL 3 -4.300 -4.217 16.012
21 H SER 4 HN SER 4 -10.022 -5.251 14.659
22 HA SER 4 HA SER 4 -10.123 -8.173 15.098
23 HB2 SER 4 HB2 SER 4 -11.783 -6.550 16.051
24 HB3 SER 4 HB3 SER 4 -12.293 -6.172 14.408
25 HG SER 4 HG SER 4 -13.505 -7.857 15.608
26 H HIS 5 HN HIS 5 -10.680 -5.839 12.514
27 HA HIS 5 HA HIS 5 -11.125 -8.030 10.553
28 HB2 HIS 5 HB2 HIS 5 -12.614 -5.980 10.803
29 HB3 HIS 5 HB3 HIS 5 -11.266 -5.024 10.189
30 HD1 HIS 5 HD1 HIS 5 -12.749 -8.360 9.032
31 HD2 HIS 5 HD2 HIS 5 -11.785 -4.597 7.524
32 HE1 HIS 5 HE1 HIS 5 -13.256 -8.431 6.552
33 H ALA 6 HN ALA 6 -8.486 -6.471 11.809
34 HA ALA 6 HA ALA 6 -6.301 -6.014 11.044
35 HB1 ALA 6 HB1 ALA 6 -6.566 -8.471 10.771
36 HB2 ALA 6 HB2 ALA 6 -5.492 -7.795 9.546
37 HB3 ALA 6 HB3 ALA 6 -7.154 -8.213 9.128
38 H ARG 7 HN ARG 7 -8.034 -4.111 10.035
39 HA ARG 7 HA ARG 7 -8.089 -2.425 8.391
40 HB2 ARG 7 HB2 ARG 7 -5.559 -3.486 8.314
41 HB3 ARG 7 HB3 ARG 7 -6.088 -3.732 6.650
42 HG2 ARG 7 HG2 ARG 7 -5.114 -1.564 6.665
43 HG3 ARG 7 HG3 ARG 7 -6.854 -1.278 6.703
44 HD2 ARG 7 HD2 ARG 7 -6.826 -0.771 9.040
45 HD3 ARG 7 HD3 ARG 7 -5.188 -1.422 9.234
46 HE ARG 7 HE ARG 7 -4.310 0.522 8.111
47 HH11 ARG 7 HH21 ARG 7 -6.528 0.831 6.090
48 HH12 ARG 7 HH22 ARG 7 -7.268 2.312 6.598
49 HH21 ARG 7 HH11 ARG 7 -5.796 2.262 9.749
50 HH22 ARG 7 HH12 ARG 7 -6.852 3.125 8.682
51 HA PRO 8 HA PRO 8 -10.847 -4.636 5.667
52 HB2 PRO 8 HB2 PRO 8 -12.210 -2.435 4.772
53 HB3 PRO 8 HB3 PRO 8 -12.491 -3.169 6.359
54 HG2 PRO 8 HG2 PRO 8 -10.947 -0.732 5.657
55 HG3 PRO 8 HG3 PRO 8 -11.960 -1.063 7.069
56 HD2 PRO 8 HD2 PRO 8 -9.212 -1.166 7.065
57 HD3 PRO 8 HD3 PRO 8 -10.252 -2.026 8.221
58 H ARG 9 HN ARG 9 -11.001 -1.820 3.684
59 HA ARG 9 HA ARG 9 -8.653 -2.212 2.049
60 HB2 ARG 9 HB2 ARG 9 -9.829 -3.334 0.150
61 HB3 ARG 9 HB3 ARG 9 -9.804 -4.343 1.593
62 HG2 ARG 9 HG2 ARG 9 -12.124 -3.073 2.048
63 HG3 ARG 9 HG3 ARG 9 -12.103 -2.953 0.289
64 HD2 ARG 9 HD2 ARG 9 -13.228 -5.018 0.776
65 HD3 ARG 9 HD3 ARG 9 -11.585 -5.487 0.295
66 HE ARG 9 HE ARG 9 -11.022 -5.654 2.717
67 HH11 ARG 9 HH11 ARG 9 -13.210 -4.107 3.943
68 HH12 ARG 9 HH12 ARG 9 -14.304 -5.335 4.483
69 HH21 ARG 9 HH21 ARG 9 -12.918 -7.816 2.482
70 HH22 ARG 9 HH22 ARG 9 -14.140 -7.441 3.650
71 H TRP 10 HN TRP 10 -9.685 -1.432 -0.438
72 HA TRP 10 HA TRP 10 -10.509 0.411 -1.650
73 HB2 TRP 10 HB2 TRP 10 -12.341 -0.086 0.537
74 HB3 TRP 10 HB3 TRP 10 -12.251 1.645 0.217
75 HD1 TRP 10 HD1 TRP 10 -14.252 2.197 -1.258
76 HE1 TRP 10 HE1 TRP 10 -15.259 1.239 -3.431
77 HE3 TRP 10 HE3 TRP 10 -11.293 -1.922 -1.864
78 HZ2 TRP 10 HZ2 TRP 10 -14.860 -0.979 -5.192
79 HZ3 TRP 10 HZ3 TRP 10 -11.628 -3.439 -3.794
80 HH2 TRP 10 HH2 TRP 10 -13.406 -2.972 -5.458
81 H PHE 11 HN PHE 11 -9.318 2.223 -1.978
82 HA PHE 11 HA PHE 11 -8.008 4.137 -1.565
83 HB2 PHE 11 HB2 PHE 11 -10.228 4.089 0.357
84 HB3 PHE 11 HB3 PHE 11 -8.849 5.027 0.929
85 HD1 PHE 11 HD1 PHE 11 -7.836 6.773 -0.674
86 HD2 PHE 11 HD2 PHE 11 -11.694 4.977 -1.263
87 HE1 PHE 11 HE1 PHE 11 -8.469 8.629 -2.191
88 HE2 PHE 11 HE2 PHE 11 -12.326 6.834 -2.780
89 HZ PHE 11 HZ PHE 11 -10.714 8.660 -3.244
90 H TRP 12 HN TRP 12 -7.374 1.339 -0.230
91 HA TRP 12 HA TRP 12 -5.297 2.383 1.657
92 HB2 TRP 12 HB2 TRP 12 -7.003 1.214 2.887
93 HB3 TRP 12 HB3 TRP 12 -7.036 -0.096 1.709
94 HD1 TRP 12 HD1 TRP 12 -5.483 -2.083 2.118
95 HE1 TRP 12 HE1 TRP 12 -3.596 -2.614 3.796
96 HE3 TRP 12 HE3 TRP 12 -4.975 2.483 4.349
97 HZ2 TRP 12 HZ2 TRP 12 -2.082 -1.278 5.823
98 HZ3 TRP 12 HZ3 TRP 12 -3.309 2.824 6.150
99 HH2 TRP 12 HH2 TRP 12 -1.862 0.950 6.889
100 H PHE 13 HN PHE 13 -5.977 0.380 -1.102
101 HA PHE 13 HA PHE 13 -3.673 -1.299 -1.111
102 HB2 PHE 13 HB2 PHE 13 -5.587 -1.658 -2.573
103 HB3 PHE 13 HB3 PHE 13 -5.342 -0.084 -3.331
104 HD1 PHE 13 HD2 PHE 13 -3.616 -3.349 -2.714
105 HD2 PHE 13 HD1 PHE 13 -3.977 0.111 -5.234
106 HE1 PHE 13 HE2 PHE 13 -2.053 -4.374 -4.344
107 HE2 PHE 13 HE1 PHE 13 -2.413 -0.914 -6.865
108 HZ PHE 13 HZ PHE 13 -1.451 -3.155 -6.420
109 H SER 14 HN SER 14 -4.196 1.971 -2.354
110 HA SER 14 HA SER 14 -1.663 2.350 -3.620
111 HB2 SER 14 HB2 SER 14 -3.503 4.315 -2.222
112 HB3 SER 14 HB3 SER 14 -2.234 4.755 -3.361
113 HG SER 14 HG SER 14 -4.064 4.607 -4.559
114 H LEU 15 HN LEU 15 -2.744 2.734 -0.294
115 HA LEU 15 HA LEU 15 -0.353 3.961 0.759
116 HB2 LEU 15 HB2 LEU 15 -2.761 3.728 1.714
117 HB3 LEU 15 HB3 LEU 15 -2.250 2.125 2.241
118 HG LEU 15 HG LEU 15 -0.471 4.440 2.889
119 HD11 LEU 15 HD11 LEU 15 -2.300 5.512 3.777
120 HD12 LEU 15 HD12 LEU 15 -1.993 4.400 5.110
121 HD13 LEU 15 HD13 LEU 15 -3.236 4.024 3.917
122 HD21 LEU 15 HD21 LEU 15 0.431 2.456 3.691
123 HD22 LEU 15 HD22 LEU 15 -1.150 1.724 3.958
124 HD23 LEU 15 HD23 LEU 15 -0.538 2.934 5.086
125 H LEU 16 HN LEU 16 -1.477 0.578 0.500
126 HA LEU 16 HA LEU 16 0.744 -0.667 1.806
127 HB2 LEU 16 HB2 LEU 16 -1.547 -1.609 1.182
128 HB3 LEU 16 HB3 LEU 16 -0.946 -1.749 -0.466
129 HG LEU 16 HG LEU 16 -0.791 -3.834 1.067
130 HD11 LEU 16 HD11 LEU 16 1.927 -3.326 0.034
131 HD12 LEU 16 HD12 LEU 16 0.631 -3.014 -1.121
132 HD13 LEU 16 HD13 LEU 16 0.785 -4.604 -0.376
133 HD21 LEU 16 HD21 LEU 16 0.231 -2.430 2.957
134 HD22 LEU 16 HD22 LEU 16 1.722 -2.435 2.012
135 HD23 LEU 16 HD23 LEU 16 1.040 -3.955 2.592
136 H LEU 17 HN LEU 17 0.163 0.196 -1.568
137 HA LEU 17 HA LEU 17 2.500 -0.970 -2.726
138 HB2 LEU 17 HB2 LEU 17 0.422 0.015 -3.841
139 HB3 LEU 17 HB3 LEU 17 1.125 1.604 -3.543
140 HG LEU 17 HG LEU 17 2.993 -0.305 -4.786
141 HD11 LEU 17 HD11 LEU 17 0.661 0.729 -6.422
142 HD12 LEU 17 HD12 LEU 17 0.776 -0.929 -5.831
143 HD13 LEU 17 HD13 LEU 17 1.972 -0.314 -6.972
144 HD21 LEU 17 HD21 LEU 17 3.470 1.664 -6.177
145 HD22 LEU 17 HD22 LEU 17 3.412 2.127 -4.477
146 HD23 LEU 17 HD23 LEU 17 2.045 2.482 -5.534
147 H LEU 18 HN LEU 18 1.918 2.114 -1.145
148 HA LEU 18 HA LEU 18 4.526 3.261 -1.673
149 HB2 LEU 18 HB2 LEU 18 2.211 4.315 -1.003
150 HB3 LEU 18 HB3 LEU 18 2.750 3.982 0.643
151 HG LEU 18 HG LEU 18 4.973 5.150 -0.164
152 HD11 LEU 18 HD11 LEU 18 2.874 6.170 -2.098
153 HD12 LEU 18 HD12 LEU 18 4.413 5.409 -2.497
154 HD13 LEU 18 HD13 LEU 18 4.387 7.015 -1.770
155 HD21 LEU 18 HD21 LEU 18 3.769 6.131 1.618
156 HD22 LEU 18 HD22 LEU 18 2.360 6.451 0.606
157 HD23 LEU 18 HD23 LEU 18 3.826 7.408 0.402
158 H ALA 19 HN ALA 19 3.114 1.332 0.911
159 HA ALA 19 HA ALA 19 5.162 1.600 2.885
160 HB1 ALA 19 HB1 ALA 19 4.094 -0.297 3.867
161 HB2 ALA 19 HB2 ALA 19 3.560 -0.901 2.298
162 HB3 ALA 19 HB3 ALA 19 2.814 0.541 2.990
163 H ALA 20 HN ALA 20 4.800 -0.709 0.176
164 HA ALA 20 HA ALA 20 7.138 -2.283 0.728
165 HB1 ALA 20 HB1 ALA 20 6.837 -2.941 -1.662
166 HB2 ALA 20 HB2 ALA 20 5.687 -1.617 -1.859
167 HB3 ALA 20 HB3 ALA 20 5.312 -2.958 -0.776
168 H GLY 21 HN GLY 21 6.633 0.665 -1.226
169 HA2 GLY 21 HA2 GLY 21 9.304 0.797 -2.290
170 HA3 GLY 21 HA3 GLY 21 8.173 2.148 -2.199
171 H VAL 22 HN VAL 22 7.787 2.141 0.642
172 HA VAL 22 HA VAL 22 9.961 3.773 1.527
173 HB VAL 22 HB VAL 22 7.793 2.221 2.986
174 HG11 VAL 22 HG11 VAL 22 9.561 2.712 4.583
175 HG12 VAL 22 HG12 VAL 22 8.230 3.835 4.859
176 HG13 VAL 22 HG13 VAL 22 9.674 4.374 4.003
177 HG21 VAL 22 HG21 VAL 22 6.433 3.993 2.551
178 HG22 VAL 22 HG22 VAL 22 7.588 4.367 1.273
179 HG23 VAL 22 HG23 VAL 22 7.717 5.166 2.839
180 H GLY 23 HN GLY 23 9.224 0.321 2.156
181 HA2 GLY 23 HA2 GLY 23 11.422 -0.183 3.916
182 HA3 GLY 23 HA3 GLY 23 10.586 -1.411 2.966
183 H ILE 24 HN ILE 24 11.117 -0.492 0.368
184 HA ILE 24 HA ILE 24 13.787 -1.494 -0.088
185 HB ILE 24 HB ILE 24 11.801 0.049 -1.805
186 HG12 ILE 24 HG12 ILE 24 12.491 -2.878 -2.020
187 HG13 ILE 24 HG13 ILE 24 11.318 -2.332 -0.823
188 HG21 ILE 24 HG21 ILE 24 14.023 0.304 -2.770
189 HG22 ILE 24 HG22 ILE 24 13.122 -0.871 -3.727
190 HG23 ILE 24 HG23 ILE 24 14.342 -1.420 -2.577
191 HD11 ILE 24 HD11 ILE 24 11.147 -2.244 -3.816
192 HD12 ILE 24 HD12 ILE 24 10.281 -1.031 -2.872
193 HD13 ILE 24 HD13 ILE 24 9.929 -2.745 -2.644
194 H TYR 25 HN TYR 25 12.417 1.810 0.094
195 HA TYR 25 HA TYR 25 14.741 3.227 -0.805
196 HB2 TYR 25 HB2 TYR 25 12.328 4.029 -0.399
197 HB3 TYR 25 HB3 TYR 25 12.785 4.171 1.300
198 HD1 TYR 25 HD1 TYR 25 13.398 5.440 -2.113
199 HD2 TYR 25 HD2 TYR 25 14.377 5.845 2.050
200 HE1 TYR 25 HE1 TYR 25 14.489 7.617 -2.581
201 HE2 TYR 25 HE2 TYR 25 15.466 8.023 1.582
202 HH TYR 25 HH TYR 25 16.589 9.007 -0.943
203 H LEU 26 HN LEU 26 13.954 1.700 2.260
204 HA LEU 26 HA LEU 26 16.105 3.033 3.761
205 HB2 LEU 26 HB2 LEU 26 14.198 0.726 4.251
206 HB3 LEU 26 HB3 LEU 26 15.403 1.220 5.439
207 HG LEU 26 HG LEU 26 13.615 3.320 4.270
208 HD11 LEU 26 HD11 LEU 26 12.769 1.636 6.632
209 HD12 LEU 26 HD12 LEU 26 12.221 1.286 4.993
210 HD13 LEU 26 HD13 LEU 26 11.818 2.828 5.746
211 HD21 LEU 26 HD21 LEU 26 13.898 4.261 6.540
212 HD22 LEU 26 HD22 LEU 26 15.461 3.918 5.799
213 HD23 LEU 26 HD23 LEU 26 14.805 2.827 7.020
214 H LEU 27 HN LEU 27 15.703 0.213 1.737
215 HA LEU 27 HA LEU 27 18.527 -0.610 2.315
216 HB2 LEU 27 HB2 LEU 27 16.307 -1.934 3.144
217 HB3 LEU 27 HB3 LEU 27 16.486 -2.643 1.541
218 HG LEU 27 HG LEU 27 17.705 -4.015 3.132
219 HD11 LEU 27 HD11 LEU 27 18.763 -3.606 0.907
220 HD12 LEU 27 HD12 LEU 27 19.941 -3.951 2.173
221 HD13 LEU 27 HD13 LEU 27 19.695 -2.293 1.627
222 HD21 LEU 27 HD21 LEU 27 19.091 -1.430 3.908
223 HD22 LEU 27 HD22 LEU 27 19.571 -3.031 4.468
224 HD23 LEU 27 HD23 LEU 27 17.997 -2.376 4.917
225 HA PRO 28 HA PRO 28 17.589 -0.425 -2.274
226 HB2 PRO 28 HB2 PRO 28 18.231 2.152 -2.942
227 HB3 PRO 28 HB3 PRO 28 16.605 1.654 -2.439
228 HG2 PRO 28 HG2 PRO 28 18.550 3.280 -1.013
229 HG3 PRO 28 HG3 PRO 28 16.829 3.051 -0.702
230 HD2 PRO 28 HD2 PRO 28 19.085 1.811 0.632
231 HD3 PRO 28 HD3 PRO 28 17.368 1.741 1.046
232 H ASN 29 HN ASN 29 20.212 1.507 -0.764
233 HA ASN 29 HA ASN 29 22.150 0.342 -2.726
234 HB2 ASN 29 HB2 ASN 29 21.698 2.934 -1.454
235 HB3 ASN 29 HB3 ASN 29 23.366 2.393 -1.256
236 HD21 ASN 29 HD21 ASN 29 20.869 3.074 -3.732
237 HD22 ASN 29 HD22 ASN 29 21.968 3.273 -5.010
238 H ARG 30 HN ARG 30 21.555 0.879 0.748
239 HA ARG 30 HA ARG 30 23.535 -1.276 1.351
240 HB2 ARG 30 HB2 ARG 30 24.339 1.202 1.567
241 HB3 ARG 30 HB3 ARG 30 23.319 1.238 3.006
242 HG2 ARG 30 HG2 ARG 30 25.289 0.517 3.970
243 HG3 ARG 30 HG3 ARG 30 24.603 -1.045 3.523
244 HD2 ARG 30 HD2 ARG 30 25.977 -0.060 1.225
245 HD3 ARG 30 HD3 ARG 30 27.065 0.125 2.614
246 HE ARG 30 HE ARG 30 25.890 -2.438 1.674
247 HH11 ARG 30 HH11 ARG 30 28.837 -2.052 1.988
248 HH12 ARG 30 HH12 ARG 30 29.151 -2.813 3.512
249 HH21 ARG 30 HH21 ARG 30 25.814 -2.815 4.489
250 HH22 ARG 30 HH22 ARG 30 27.431 -3.248 4.935
Start of MODEL 32
1 HA HIS 1 HA HIS 1 -6.344 -14.166 8.133
2 HB2 HIS 1 HB2 HIS 1 -7.519 -14.530 10.642
3 HB3 HIS 1 HB3 HIS 1 -7.064 -12.826 10.635
4 HD1 HIS 1 HD1 HIS 1 -9.503 -15.210 9.223
5 HD2 HIS 1 HD2 HIS 1 -8.217 -11.332 8.387
6 HE1 HIS 1 HE1 HIS 1 -11.225 -14.205 7.661
7 H SER 2 HN SER 2 -5.197 -12.454 7.325
8 HA SER 2 HA SER 2 -3.174 -11.128 9.100
9 HB2 SER 2 HB2 SER 2 -2.223 -10.550 6.746
10 HB3 SER 2 HB3 SER 2 -2.093 -12.214 7.303
11 HG SER 2 HG SER 2 -2.925 -12.111 5.184
12 H VAL 3 HN VAL 3 -5.976 -10.300 9.076
13 HA VAL 3 HA VAL 3 -7.295 -8.356 8.866
14 HB VAL 3 HB VAL 3 -4.580 -7.022 8.606
15 HG11 VAL 3 HG11 VAL 3 -7.279 -6.187 9.689
16 HG12 VAL 3 HG12 VAL 3 -6.343 -5.425 8.402
17 HG13 VAL 3 HG13 VAL 3 -5.797 -5.314 10.075
18 HG21 VAL 3 HG21 VAL 3 -4.699 -6.979 11.156
19 HG22 VAL 3 HG22 VAL 3 -4.356 -8.555 10.443
20 HG23 VAL 3 HG23 VAL 3 -5.978 -8.188 11.030
21 H SER 4 HN SER 4 -6.829 -9.764 6.372
22 HA SER 4 HA SER 4 -6.468 -7.559 4.392
23 HB2 SER 4 HB2 SER 4 -5.266 -9.904 4.448
24 HB3 SER 4 HB3 SER 4 -6.769 -10.469 3.724
25 HG SER 4 HG SER 4 -6.340 -9.364 1.946
26 H HIS 5 HN HIS 5 -8.902 -9.485 5.857
27 HA HIS 5 HA HIS 5 -10.845 -8.857 3.665
28 HB2 HIS 5 HB2 HIS 5 -10.536 -11.030 5.720
29 HB3 HIS 5 HB3 HIS 5 -12.137 -10.681 5.069
30 HD1 HIS 5 HD1 HIS 5 -12.685 -11.723 2.858
31 HD2 HIS 5 HD2 HIS 5 -8.574 -11.617 3.542
32 HE1 HIS 5 HE1 HIS 5 -11.606 -12.965 0.932
33 H ALA 6 HN ALA 6 -10.064 -6.851 5.626
34 HA ALA 6 HA ALA 6 -12.491 -6.671 7.376
35 HB1 ALA 6 HB1 ALA 6 -11.057 -5.003 8.594
36 HB2 ALA 6 HB2 ALA 6 -9.765 -5.331 7.439
37 HB3 ALA 6 HB3 ALA 6 -10.330 -6.609 8.514
38 H ARG 7 HN ARG 7 -12.767 -6.095 4.591
39 HA ARG 7 HA ARG 7 -13.655 -4.448 3.169
40 HB2 ARG 7 HB2 ARG 7 -14.584 -4.009 5.753
41 HB3 ARG 7 HB3 ARG 7 -13.978 -2.424 5.272
42 HG2 ARG 7 HG2 ARG 7 -15.860 -4.102 3.588
43 HG3 ARG 7 HG3 ARG 7 -16.386 -2.806 4.663
44 HD2 ARG 7 HD2 ARG 7 -15.234 -1.137 3.378
45 HD3 ARG 7 HD3 ARG 7 -14.350 -2.367 2.454
46 HE ARG 7 HE ARG 7 -16.856 -3.106 1.853
47 HH11 ARG 7 HH11 ARG 7 -17.909 -0.478 2.866
48 HH12 ARG 7 HH12 ARG 7 -17.933 0.480 1.424
49 HH21 ARG 7 HH21 ARG 7 -15.820 -1.650 -0.334
50 HH22 ARG 7 HH22 ARG 7 -16.748 -0.189 -0.398
51 HA PRO 8 HA PRO 8 -9.612 -2.242 3.113
52 HB2 PRO 8 HB2 PRO 8 -9.070 -2.775 0.483
53 HB3 PRO 8 HB3 PRO 8 -8.662 -3.894 1.799
54 HG2 PRO 8 HG2 PRO 8 -10.931 -3.974 -0.119
55 HG3 PRO 8 HG3 PRO 8 -9.972 -5.301 0.554
56 HD2 PRO 8 HD2 PRO 8 -12.481 -4.621 1.423
57 HD3 PRO 8 HD3 PRO 8 -11.272 -5.458 2.421
58 H ARG 9 HN ARG 9 -8.967 -0.698 0.967
59 HA ARG 9 HA ARG 9 -11.421 0.702 0.092
60 HB2 ARG 9 HB2 ARG 9 -10.376 1.628 2.252
61 HB3 ARG 9 HB3 ARG 9 -9.068 2.203 1.219
62 HG2 ARG 9 HG2 ARG 9 -10.543 3.607 -0.027
63 HG3 ARG 9 HG3 ARG 9 -11.971 2.829 0.656
64 HD2 ARG 9 HD2 ARG 9 -10.812 3.658 2.952
65 HD3 ARG 9 HD3 ARG 9 -10.205 4.910 1.852
66 HE ARG 9 HE ARG 9 -12.867 4.736 1.158
67 HH11 ARG 9 HH21 ARG 9 -13.246 3.763 4.020
68 HH12 ARG 9 HH22 ARG 9 -13.585 5.249 4.842
69 HH21 ARG 9 HH11 ARG 9 -12.406 7.252 2.257
70 HH22 ARG 9 HH12 ARG 9 -13.107 7.231 3.840
71 H TRP 10 HN TRP 10 -10.870 2.371 -1.655
72 HA TRP 10 HA TRP 10 -9.331 1.211 -3.770
73 HB2 TRP 10 HB2 TRP 10 -10.434 3.976 -3.205
74 HB3 TRP 10 HB3 TRP 10 -9.617 3.594 -4.717
75 HD1 TRP 10 HD1 TRP 10 -11.224 0.499 -3.903
76 HE1 TRP 10 HE1 TRP 10 -13.526 0.261 -5.034
77 HE3 TRP 10 HE3 TRP 10 -12.042 5.351 -5.273
78 HZ2 TRP 10 HZ2 TRP 10 -15.459 1.909 -6.350
79 HZ3 TRP 10 HZ3 TRP 10 -14.120 5.988 -6.463
80 HH2 TRP 10 HH2 TRP 10 -15.828 4.274 -7.003
81 H PHE 11 HN PHE 11 -8.604 4.204 -1.904
82 HA PHE 11 HA PHE 11 -5.857 4.348 -2.812
83 HB2 PHE 11 HB2 PHE 11 -7.475 6.146 -1.830
84 HB3 PHE 11 HB3 PHE 11 -6.937 5.548 -0.260
85 HD1 PHE 11 HD1 PHE 11 -5.783 7.045 -3.465
86 HD2 PHE 11 HD2 PHE 11 -4.764 6.063 0.592
87 HE1 PHE 11 HE1 PHE 11 -3.704 8.383 -3.661
88 HE2 PHE 11 HE2 PHE 11 -2.687 7.401 0.394
89 HZ PHE 11 HZ PHE 11 -2.156 8.561 -1.733
90 H TRP 12 HN TRP 12 -7.456 2.496 -0.357
91 HA TRP 12 HA TRP 12 -5.467 2.103 1.602
92 HB2 TRP 12 HB2 TRP 12 -7.945 1.017 0.749
93 HB3 TRP 12 HB3 TRP 12 -6.863 -0.344 0.944
94 HD1 TRP 12 HD1 TRP 12 -9.378 0.471 2.836
95 HE1 TRP 12 HE1 TRP 12 -8.968 0.713 5.354
96 HE3 TRP 12 HE3 TRP 12 -4.313 1.148 2.838
97 HZ2 TRP 12 HZ2 TRP 12 -6.776 1.128 7.154
98 HZ3 TRP 12 HZ3 TRP 12 -3.093 1.460 4.970
99 HH2 TRP 12 HH2 TRP 12 -4.315 1.451 7.127
100 H PHE 13 HN PHE 13 -5.948 0.403 -1.467
101 HA PHE 13 HA PHE 13 -3.726 -1.406 -1.208
102 HB2 PHE 13 HB2 PHE 13 -5.558 -0.402 -3.334
103 HB3 PHE 13 HB3 PHE 13 -4.055 -1.147 -3.880
104 HD1 PHE 13 HD1 PHE 13 -3.554 -3.498 -3.391
105 HD2 PHE 13 HD2 PHE 13 -7.252 -1.697 -2.151
106 HE1 PHE 13 HE1 PHE 13 -4.502 -5.747 -2.951
107 HE2 PHE 13 HE2 PHE 13 -8.200 -3.946 -1.711
108 HZ PHE 13 HZ PHE 13 -6.825 -5.971 -2.111
109 H SER 14 HN SER 14 -4.066 1.859 -2.474
110 HA SER 14 HA SER 14 -1.427 2.112 -3.602
111 HB2 SER 14 HB2 SER 14 -3.258 4.234 -2.442
112 HB3 SER 14 HB3 SER 14 -1.976 4.496 -3.620
113 HG SER 14 HG SER 14 -3.254 3.793 -5.145
114 H LEU 15 HN LEU 15 -2.789 2.598 -0.391
115 HA LEU 15 HA LEU 15 -0.512 3.888 0.825
116 HB2 LEU 15 HB2 LEU 15 -2.998 3.550 1.585
117 HB3 LEU 15 HB3 LEU 15 -2.420 2.012 2.226
118 HG LEU 15 HG LEU 15 -0.847 4.472 2.874
119 HD11 LEU 15 HD11 LEU 15 -2.309 5.135 4.640
120 HD12 LEU 15 HD12 LEU 15 -3.319 3.703 4.440
121 HD13 LEU 15 HD13 LEU 15 -3.334 4.971 3.215
122 HD21 LEU 15 HD21 LEU 15 -1.330 1.738 3.934
123 HD22 LEU 15 HD22 LEU 15 -1.096 2.999 5.144
124 HD23 LEU 15 HD23 LEU 15 0.149 2.699 3.932
125 H LEU 16 HN LEU 16 -1.506 0.480 0.484
126 HA LEU 16 HA LEU 16 0.676 -0.671 1.967
127 HB2 LEU 16 HB2 LEU 16 -1.641 -1.595 1.122
128 HB3 LEU 16 HB3 LEU 16 -0.737 -2.004 -0.335
129 HG LEU 16 HG LEU 16 0.443 -2.780 2.302
130 HD11 LEU 16 HD11 LEU 16 -0.895 -4.790 2.438
131 HD12 LEU 16 HD12 LEU 16 -1.734 -4.391 0.939
132 HD13 LEU 16 HD13 LEU 16 -1.997 -3.414 2.383
133 HD21 LEU 16 HD21 LEU 16 0.496 -3.657 -0.558
134 HD22 LEU 16 HD22 LEU 16 0.785 -4.880 0.678
135 HD23 LEU 16 HD23 LEU 16 1.830 -3.462 0.579
136 H LEU 17 HN LEU 17 0.200 0.096 -1.445
137 HA LEU 17 HA LEU 17 2.616 -1.061 -2.462
138 HB2 LEU 17 HB2 LEU 17 0.381 0.210 -3.456
139 HB3 LEU 17 HB3 LEU 17 1.637 1.415 -3.735
140 HG LEU 17 HG LEU 17 3.009 -0.610 -4.673
141 HD11 LEU 17 HD11 LEU 17 1.793 -2.476 -5.431
142 HD12 LEU 17 HD12 LEU 17 0.246 -1.639 -5.298
143 HD13 LEU 17 HD13 LEU 17 1.089 -2.170 -3.842
144 HD21 LEU 17 HD21 LEU 17 0.698 0.799 -6.012
145 HD22 LEU 17 HD22 LEU 17 1.729 -0.315 -6.909
146 HD23 LEU 17 HD23 LEU 17 2.425 1.126 -6.170
147 H LEU 18 HN LEU 18 1.872 2.026 -0.976
148 HA LEU 18 HA LEU 18 4.423 3.296 -1.510
149 HB2 LEU 18 HB2 LEU 18 2.069 4.257 -0.867
150 HB3 LEU 18 HB3 LEU 18 2.588 3.941 0.789
151 HG LEU 18 HG LEU 18 4.774 5.205 0.037
152 HD11 LEU 18 HD11 LEU 18 2.682 6.163 -1.939
153 HD12 LEU 18 HD12 LEU 18 4.238 5.421 -2.317
154 HD13 LEU 18 HD13 LEU 18 4.180 7.029 -1.595
155 HD21 LEU 18 HD21 LEU 18 3.273 6.012 1.787
156 HD22 LEU 18 HD22 LEU 18 2.122 6.578 0.577
157 HD23 LEU 18 HD23 LEU 18 3.698 7.356 0.727
158 H ALA 19 HN ALA 19 3.071 1.394 1.138
159 HA ALA 19 HA ALA 19 5.148 1.741 3.070
160 HB1 ALA 19 HB1 ALA 19 4.151 -0.210 4.086
161 HB2 ALA 19 HB2 ALA 19 3.506 -0.755 2.538
162 HB3 ALA 19 HB3 ALA 19 2.842 0.684 3.312
163 H ALA 20 HN ALA 20 4.768 -0.618 0.413
164 HA ALA 20 HA ALA 20 7.145 -2.148 0.960
165 HB1 ALA 20 HB1 ALA 20 5.714 -1.610 -1.667
166 HB2 ALA 20 HB2 ALA 20 5.197 -2.806 -0.478
167 HB3 ALA 20 HB3 ALA 20 6.743 -2.995 -1.304
168 H GLY 21 HN GLY 21 6.511 0.695 -1.115
169 HA2 GLY 21 HA2 GLY 21 9.103 0.870 -2.306
170 HA3 GLY 21 HA3 GLY 21 7.985 2.223 -2.117
171 H VAL 22 HN VAL 22 7.788 2.233 0.717
172 HA VAL 22 HA VAL 22 10.080 3.788 1.464
173 HB VAL 22 HB VAL 22 7.948 2.360 3.096
174 HG11 VAL 22 HG11 VAL 22 8.578 4.332 4.710
175 HG12 VAL 22 HG12 VAL 22 10.111 4.314 3.840
176 HG13 VAL 22 HG13 VAL 22 9.570 2.874 4.703
177 HG21 VAL 22 HG21 VAL 22 7.855 5.283 2.831
178 HG22 VAL 22 HG22 VAL 22 6.574 4.094 2.596
179 HG23 VAL 22 HG23 VAL 22 7.698 4.448 1.286
180 H GLY 23 HN GLY 23 9.216 0.371 2.074
181 HA2 GLY 23 HA2 GLY 23 11.371 -0.277 3.820
182 HA3 GLY 23 HA3 GLY 23 10.534 -1.436 2.785
183 H ILE 24 HN ILE 24 11.144 -0.349 0.260
184 HA ILE 24 HA ILE 24 13.819 -1.375 -0.180
185 HB ILE 24 HB ILE 24 11.926 0.280 -1.901
186 HG12 ILE 24 HG12 ILE 24 12.403 -2.645 -2.295
187 HG13 ILE 24 HG13 ILE 24 11.396 -2.164 -0.929
188 HG21 ILE 24 HG21 ILE 24 14.434 -1.278 -2.579
189 HG22 ILE 24 HG22 ILE 24 14.125 0.435 -2.861
190 HG23 ILE 24 HG23 ILE 24 13.251 -0.783 -3.788
191 HD11 ILE 24 HD11 ILE 24 9.984 -2.527 -2.889
192 HD12 ILE 24 HD12 ILE 24 10.961 -1.402 -3.831
193 HD13 ILE 24 HD13 ILE 24 9.993 -0.812 -2.481
194 H TYR 25 HN TYR 25 12.452 1.908 0.169
195 HA TYR 25 HA TYR 25 14.788 3.372 -0.634
196 HB2 TYR 25 HB2 TYR 25 12.330 4.105 -0.149
197 HB3 TYR 25 HB3 TYR 25 12.872 4.249 1.525
198 HD1 TYR 25 HD2 TYR 25 14.559 5.903 2.173
199 HD2 TYR 25 HD1 TYR 25 13.218 5.570 -1.894
200 HE1 TYR 25 HE2 TYR 25 15.593 8.096 1.653
201 HE2 TYR 25 HE1 TYR 25 14.253 7.761 -2.415
202 HH TYR 25 HH TYR 25 16.489 9.138 -0.918
203 H LEU 26 HN LEU 26 13.936 1.683 2.331
204 HA LEU 26 HA LEU 26 16.052 2.899 3.957
205 HB2 LEU 26 HB2 LEU 26 14.204 0.506 4.235
206 HB3 LEU 26 HB3 LEU 26 15.347 0.981 5.490
207 HG LEU 26 HG LEU 26 13.502 3.065 4.378
208 HD11 LEU 26 HD11 LEU 26 11.659 2.389 5.661
209 HD12 LEU 26 HD12 LEU 26 12.631 1.318 6.669
210 HD13 LEU 26 HD13 LEU 26 12.249 0.861 5.010
211 HD21 LEU 26 HD21 LEU 26 13.752 4.003 6.589
212 HD22 LEU 26 HD22 LEU 26 15.357 3.516 6.047
213 HD23 LEU 26 HD23 LEU 26 14.474 2.514 7.199
214 H LEU 27 HN LEU 27 15.803 0.341 1.620
215 HA LEU 27 HA LEU 27 18.626 -0.467 2.169
216 HB2 LEU 27 HB2 LEU 27 16.658 -1.946 3.118
217 HB3 LEU 27 HB3 LEU 27 16.502 -2.472 1.441
218 HG LEU 27 HG LEU 27 19.144 -2.756 1.657
219 HD11 LEU 27 HD11 LEU 27 18.184 -3.248 4.491
220 HD12 LEU 27 HD12 LEU 27 19.120 -1.837 3.997
221 HD13 LEU 27 HD13 LEU 27 19.827 -3.448 3.879
222 HD21 LEU 27 HD21 LEU 27 17.481 -4.538 1.143
223 HD22 LEU 27 HD22 LEU 27 17.177 -4.726 2.870
224 HD23 LEU 27 HD23 LEU 27 18.764 -5.116 2.206
225 HA PRO 28 HA PRO 28 17.564 -0.102 -2.367
226 HB2 PRO 28 HB2 PRO 28 18.224 2.501 -2.911
227 HB3 PRO 28 HB3 PRO 28 16.608 1.991 -2.389
228 HG2 PRO 28 HG2 PRO 28 18.604 3.522 -0.936
229 HG3 PRO 28 HG3 PRO 28 16.896 3.273 -0.572
230 HD2 PRO 28 HD2 PRO 28 19.209 1.950 0.580
231 HD3 PRO 28 HD3 PRO 28 17.515 1.874 1.083
232 H ASN 29 HN ASN 29 20.338 0.939 -0.488
233 HA ASN 29 HA ASN 29 22.157 0.705 -2.839
234 HB2 ASN 29 HB2 ASN 29 22.238 1.872 -0.079
235 HB3 ASN 29 HB3 ASN 29 23.765 1.413 -0.832
236 HD21 ASN 29 HD21 ASN 29 20.760 3.257 -1.638
237 HD22 ASN 29 HD22 ASN 29 21.560 4.423 -2.576
238 H ARG 30 HN ARG 30 21.405 -0.839 0.267
239 HA ARG 30 HA ARG 30 23.574 -2.839 -0.105
240 HB2 ARG 30 HB2 ARG 30 21.550 -2.304 2.098
241 HB3 ARG 30 HB3 ARG 30 22.824 -3.519 2.188
242 HG2 ARG 30 HG2 ARG 30 24.482 -1.632 1.738
243 HG3 ARG 30 HG3 ARG 30 23.144 -0.514 2.014
244 HD2 ARG 30 HD2 ARG 30 22.828 -1.967 4.227
245 HD3 ARG 30 HD3 ARG 30 24.553 -2.297 3.970
246 HE ARG 30 HE ARG 30 24.656 0.329 3.677
247 HH11 ARG 30 HH21 ARG 30 25.088 -0.632 6.448
248 HH12 ARG 30 HH22 ARG 30 23.897 0.246 7.349
249 HH21 ARG 30 HH11 ARG 30 22.033 1.112 4.545
250 HH22 ARG 30 HH12 ARG 30 22.163 1.239 6.268
Start of MODEL 33
1 HA HIS 1 HA HIS 1 -23.998 -6.336 -5.905
2 HB2 HIS 1 HB2 HIS 1 -23.341 -4.075 -6.748
3 HB3 HIS 1 HB3 HIS 1 -24.132 -5.049 -7.983
4 HD1 HIS 1 HD1 HIS 1 -24.777 -2.130 -5.658
5 HD2 HIS 1 HD2 HIS 1 -26.579 -4.010 -8.915
6 HE1 HIS 1 HE1 HIS 1 -26.690 -0.636 -6.381
7 H SER 2 HN SER 2 -23.004 -5.347 -4.076
8 HA SER 2 HA SER 2 -24.329 -3.259 -2.527
9 HB2 SER 2 HB2 SER 2 -24.814 -4.785 -0.588
10 HB3 SER 2 HB3 SER 2 -25.786 -5.145 -2.010
11 HG SER 2 HG SER 2 -23.557 -6.519 -0.955
12 H VAL 3 HN VAL 3 -22.020 -2.565 -2.960
13 HA VAL 3 HA VAL 3 -19.988 -3.953 -1.267
14 HB VAL 3 HB VAL 3 -19.685 -1.690 -3.277
15 HG11 VAL 3 HG11 VAL 3 -17.610 -1.668 -2.351
16 HG12 VAL 3 HG12 VAL 3 -17.359 -3.167 -3.246
17 HG13 VAL 3 HG13 VAL 3 -17.851 -3.223 -1.554
18 HG21 VAL 3 HG21 VAL 3 -20.456 -3.403 -4.653
19 HG22 VAL 3 HG22 VAL 3 -19.836 -4.671 -3.596
20 HG23 VAL 3 HG23 VAL 3 -18.730 -3.766 -4.630
21 H SER 4 HN SER 4 -21.982 -2.574 0.176
22 HA SER 4 HA SER 4 -21.046 0.122 0.854
23 HB2 SER 4 HB2 SER 4 -23.423 -0.467 0.861
24 HB3 SER 4 HB3 SER 4 -23.124 -1.745 2.034
25 HG SER 4 HG SER 4 -23.134 1.040 2.351
26 H HIS 5 HN HIS 5 -20.840 -3.114 2.214
27 HA HIS 5 HA HIS 5 -18.924 -2.080 4.280
28 HB2 HIS 5 HB2 HIS 5 -21.248 -3.998 4.452
29 HB3 HIS 5 HB3 HIS 5 -19.937 -4.070 5.627
30 HD1 HIS 5 HD1 HIS 5 -19.804 -2.209 7.379
31 HD2 HIS 5 HD2 HIS 5 -22.759 -1.529 4.519
32 HE1 HIS 5 HE1 HIS 5 -21.172 -0.250 8.215
33 H ALA 6 HN ALA 6 -18.205 -3.106 1.683
34 HA ALA 6 HA ALA 6 -16.849 -5.664 2.462
35 HB1 ALA 6 HB1 ALA 6 -18.037 -4.870 -0.220
36 HB2 ALA 6 HB2 ALA 6 -18.766 -6.002 0.920
37 HB3 ALA 6 HB3 ALA 6 -17.237 -6.401 0.136
38 H ARG 7 HN ARG 7 -15.351 -3.558 2.992
39 HA ARG 7 HA ARG 7 -13.608 -3.102 0.585
40 HB2 ARG 7 HB2 ARG 7 -14.972 -1.180 1.637
41 HB3 ARG 7 HB3 ARG 7 -13.879 -1.314 3.014
42 HG2 ARG 7 HG2 ARG 7 -12.093 -1.259 0.948
43 HG3 ARG 7 HG3 ARG 7 -13.379 -0.236 0.306
44 HD2 ARG 7 HD2 ARG 7 -13.030 0.521 3.029
45 HD3 ARG 7 HD3 ARG 7 -11.413 0.433 2.301
46 HE ARG 7 HE ARG 7 -12.619 1.764 0.349
47 HH11 ARG 7 HH21 ARG 7 -15.100 2.367 1.784
48 HH12 ARG 7 HH22 ARG 7 -14.754 3.866 2.578
49 HH21 ARG 7 HH11 ARG 7 -11.311 3.563 2.223
50 HH22 ARG 7 HH12 ARG 7 -12.602 4.546 2.829
51 HA PRO 8 HA PRO 8 -11.204 -5.301 3.919
52 HB2 PRO 8 HB2 PRO 8 -10.302 -7.370 2.375
53 HB3 PRO 8 HB3 PRO 8 -11.853 -7.411 3.234
54 HG2 PRO 8 HG2 PRO 8 -11.295 -6.937 0.363
55 HG3 PRO 8 HG3 PRO 8 -12.663 -7.754 1.130
56 HD2 PRO 8 HD2 PRO 8 -12.715 -5.179 0.129
57 HD3 PRO 8 HD3 PRO 8 -13.847 -5.829 1.332
58 H ARG 9 HN ARG 9 -9.937 -3.243 3.482
59 HA ARG 9 HA ARG 9 -7.901 -2.178 2.947
60 HB2 ARG 9 HB2 ARG 9 -7.278 -4.593 3.751
61 HB3 ARG 9 HB3 ARG 9 -6.898 -4.874 2.054
62 HG2 ARG 9 HG2 ARG 9 -5.573 -2.591 2.308
63 HG3 ARG 9 HG3 ARG 9 -5.567 -3.038 4.014
64 HD2 ARG 9 HD2 ARG 9 -3.593 -4.058 3.217
65 HD3 ARG 9 HD3 ARG 9 -4.766 -5.385 3.106
66 HE ARG 9 HE ARG 9 -3.971 -3.652 0.794
67 HH11 ARG 9 HH11 ARG 9 -3.056 -6.536 1.095
68 HH12 ARG 9 HH12 ARG 9 -4.174 -7.357 0.059
69 HH21 ARG 9 HH21 ARG 9 -6.401 -4.693 -0.087
70 HH22 ARG 9 HH22 ARG 9 -6.076 -6.311 -0.611
71 H TRP 10 HN TRP 10 -10.016 -2.631 0.834
72 HA TRP 10 HA TRP 10 -8.608 -3.096 -1.686
73 HB2 TRP 10 HB2 TRP 10 -11.269 -2.939 -0.716
74 HB3 TRP 10 HB3 TRP 10 -11.114 -1.669 -1.929
75 HD1 TRP 10 HD1 TRP 10 -11.502 -2.434 -4.316
76 HE1 TRP 10 HE1 TRP 10 -11.365 -4.674 -5.589
77 HE3 TRP 10 HE3 TRP 10 -9.801 -5.471 -0.580
78 HZ2 TRP 10 HZ2 TRP 10 -10.633 -7.392 -5.086
79 HZ3 TRP 10 HZ3 TRP 10 -9.392 -7.877 -1.003
80 HH2 TRP 10 HH2 TRP 10 -9.806 -8.842 -3.248
81 H PHE 11 HN PHE 11 -9.768 -0.232 0.100
82 HA PHE 11 HA PHE 11 -8.894 1.668 -1.944
83 HB2 PHE 11 HB2 PHE 11 -10.753 2.226 -0.535
84 HB3 PHE 11 HB3 PHE 11 -9.851 1.833 0.927
85 HD1 PHE 11 HD1 PHE 11 -10.120 4.245 -1.889
86 HD2 PHE 11 HD2 PHE 11 -8.377 3.420 1.950
87 HE1 PHE 11 HE1 PHE 11 -9.328 6.590 -1.743
88 HE2 PHE 11 HE2 PHE 11 -7.586 5.764 2.095
89 HZ PHE 11 HZ PHE 11 -8.062 7.350 0.248
90 H TRP 12 HN TRP 12 -7.491 0.226 0.962
91 HA TRP 12 HA TRP 12 -5.271 2.122 1.144
92 HB2 TRP 12 HB2 TRP 12 -5.903 -0.556 2.413
93 HB3 TRP 12 HB3 TRP 12 -4.508 0.427 2.856
94 HD1 TRP 12 HD1 TRP 12 -7.790 -0.231 4.065
95 HE1 TRP 12 HE1 TRP 12 -8.771 1.742 5.402
96 HE3 TRP 12 HE3 TRP 12 -4.604 3.490 2.618
97 HZ2 TRP 12 HZ2 TRP 12 -8.271 4.529 5.805
98 HZ3 TRP 12 HZ3 TRP 12 -4.879 5.791 3.493
99 HH2 TRP 12 HH2 TRP 12 -6.707 6.315 5.083
100 H PHE 13 HN PHE 13 -5.824 -0.017 -1.250
101 HA PHE 13 HA PHE 13 -3.485 -1.645 -1.412
102 HB2 PHE 13 HB2 PHE 13 -5.384 -2.044 -2.841
103 HB3 PHE 13 HB3 PHE 13 -5.326 -0.397 -3.468
104 HD1 PHE 13 HD1 PHE 13 -3.172 -3.460 -3.180
105 HD2 PHE 13 HD2 PHE 13 -4.223 0.008 -5.488
106 HE1 PHE 13 HE1 PHE 13 -1.638 -4.194 -4.985
107 HE2 PHE 13 HE2 PHE 13 -2.690 -0.728 -7.292
108 HZ PHE 13 HZ PHE 13 -1.397 -2.829 -7.040
109 H SER 14 HN SER 14 -4.155 1.612 -2.631
110 HA SER 14 HA SER 14 -1.598 2.095 -3.842
111 HB2 SER 14 HB2 SER 14 -2.346 4.487 -3.631
112 HB3 SER 14 HB3 SER 14 -3.583 3.438 -4.316
113 HG SER 14 HG SER 14 -4.791 3.901 -2.662
114 H LEU 15 HN LEU 15 -2.852 2.529 -0.596
115 HA LEU 15 HA LEU 15 -0.616 3.942 0.543
116 HB2 LEU 15 HB2 LEU 15 -3.146 3.269 1.288
117 HB3 LEU 15 HB3 LEU 15 -2.237 2.068 2.200
118 HG LEU 15 HG LEU 15 -2.569 4.102 3.542
119 HD11 LEU 15 HD11 LEU 15 -0.366 4.286 4.327
120 HD12 LEU 15 HD12 LEU 15 0.324 4.140 2.710
121 HD13 LEU 15 HD13 LEU 15 -0.355 2.722 3.510
122 HD21 LEU 15 HD21 LEU 15 -2.644 5.591 1.449
123 HD22 LEU 15 HD22 LEU 15 -0.881 5.571 1.506
124 HD23 LEU 15 HD23 LEU 15 -1.799 6.246 2.852
125 H LEU 16 HN LEU 16 -1.450 0.473 0.305
126 HA LEU 16 HA LEU 16 0.786 -0.537 1.796
127 HB2 LEU 16 HB2 LEU 16 -1.444 -1.626 0.957
128 HB3 LEU 16 HB3 LEU 16 -0.533 -1.951 -0.517
129 HG LEU 16 HG LEU 16 0.935 -2.666 1.925
130 HD11 LEU 16 HD11 LEU 16 -1.392 -3.184 2.650
131 HD12 LEU 16 HD12 LEU 16 -0.411 -4.637 2.462
132 HD13 LEU 16 HD13 LEU 16 -1.586 -4.200 1.222
133 HD21 LEU 16 HD21 LEU 16 1.322 -3.239 -0.598
134 HD22 LEU 16 HD22 LEU 16 0.113 -4.493 -0.327
135 HD23 LEU 16 HD23 LEU 16 1.609 -4.493 0.607
136 H LEU 17 HN LEU 17 0.327 0.236 -1.610
137 HA LEU 17 HA LEU 17 2.796 -0.805 -2.624
138 HB2 LEU 17 HB2 LEU 17 0.607 0.146 -3.754
139 HB3 LEU 17 HB3 LEU 17 1.470 1.682 -3.676
140 HG LEU 17 HG LEU 17 3.425 0.070 -4.675
141 HD11 LEU 17 HD11 LEU 17 2.024 -1.893 -4.869
142 HD12 LEU 17 HD12 LEU 17 2.302 -1.268 -6.496
143 HD13 LEU 17 HD13 LEU 17 0.763 -0.971 -5.687
144 HD21 LEU 17 HD21 LEU 17 2.810 1.040 -6.891
145 HD22 LEU 17 HD22 LEU 17 2.749 2.238 -5.598
146 HD23 LEU 17 HD23 LEU 17 1.255 1.532 -6.218
147 H LEU 18 HN LEU 18 1.904 2.238 -1.124
148 HA LEU 18 HA LEU 18 4.412 3.611 -1.572
149 HB2 LEU 18 HB2 LEU 18 2.012 4.471 -0.990
150 HB3 LEU 18 HB3 LEU 18 2.481 4.144 0.678
151 HG LEU 18 HG LEU 18 4.614 5.523 0.118
152 HD11 LEU 18 HD11 LEU 18 2.728 6.329 -2.115
153 HD12 LEU 18 HD12 LEU 18 4.351 5.661 -2.284
154 HD13 LEU 18 HD13 LEU 18 4.129 7.281 -1.625
155 HD21 LEU 18 HD21 LEU 18 2.730 6.234 1.615
156 HD22 LEU 18 HD22 LEU 18 1.932 6.941 0.209
157 HD23 LEU 18 HD23 LEU 18 3.480 7.581 0.759
158 H ALA 19 HN ALA 19 3.070 1.653 1.043
159 HA ALA 19 HA ALA 19 5.136 2.065 2.990
160 HB1 ALA 19 HB1 ALA 19 2.792 0.974 3.154
161 HB2 ALA 19 HB2 ALA 19 4.090 0.235 4.091
162 HB3 ALA 19 HB3 ALA 19 3.578 -0.493 2.568
163 H ALA 20 HN ALA 20 4.775 -0.318 0.357
164 HA ALA 20 HA ALA 20 7.100 -1.897 0.940
165 HB1 ALA 20 HB1 ALA 20 6.728 -2.744 -1.297
166 HB2 ALA 20 HB2 ALA 20 5.866 -1.279 -1.764
167 HB3 ALA 20 HB3 ALA 20 5.143 -2.397 -0.606
168 H GLY 21 HN GLY 21 6.629 1.066 -0.986
169 HA2 GLY 21 HA2 GLY 21 9.286 1.159 -2.092
170 HA3 GLY 21 HA3 GLY 21 8.181 2.530 -1.969
171 H VAL 22 HN VAL 22 7.825 2.530 0.859
172 HA VAL 22 HA VAL 22 10.057 4.080 1.746
173 HB VAL 22 HB VAL 22 7.824 2.600 3.178
174 HG11 VAL 22 HG11 VAL 22 8.343 4.124 5.102
175 HG12 VAL 22 HG12 VAL 22 9.816 4.614 4.265
176 HG13 VAL 22 HG13 VAL 22 9.615 2.943 4.790
177 HG21 VAL 22 HG21 VAL 22 8.204 5.557 2.623
178 HG22 VAL 22 HG22 VAL 22 6.756 4.769 3.249
179 HG23 VAL 22 HG23 VAL 22 7.266 4.484 1.585
180 H GLY 23 HN GLY 23 9.215 0.646 2.308
181 HA2 GLY 23 HA2 GLY 23 11.410 0.048 4.055
182 HA3 GLY 23 HA3 GLY 23 10.507 -1.140 3.114
183 H ILE 24 HN ILE 24 11.033 -0.236 0.508
184 HA ILE 24 HA ILE 24 13.645 -1.349 0.004
185 HB ILE 24 HB ILE 24 11.623 0.233 -1.618
186 HG12 ILE 24 HG12 ILE 24 12.515 -2.650 -1.884
187 HG13 ILE 24 HG13 ILE 24 11.192 -2.164 -0.824
188 HG21 ILE 24 HG21 ILE 24 14.299 -0.906 -2.459
189 HG22 ILE 24 HG22 ILE 24 13.685 0.728 -2.713
190 HG23 ILE 24 HG23 ILE 24 12.995 -0.623 -3.612
191 HD11 ILE 24 HD11 ILE 24 10.214 -2.815 -2.929
192 HD12 ILE 24 HD12 ILE 24 11.355 -1.816 -3.830
193 HD13 ILE 24 HD13 ILE 24 10.116 -1.057 -2.830
194 H TYR 25 HN TYR 25 12.467 2.008 0.342
195 HA TYR 25 HA TYR 25 14.838 3.331 -0.598
196 HB2 TYR 25 HB2 TYR 25 12.460 4.219 -0.020
197 HB3 TYR 25 HB3 TYR 25 13.064 4.327 1.635
198 HD1 TYR 25 HD2 TYR 25 14.876 5.871 2.225
199 HD2 TYR 25 HD1 TYR 25 13.366 5.640 -1.790
200 HE1 TYR 25 HE2 TYR 25 16.018 8.001 1.674
201 HE2 TYR 25 HE1 TYR 25 14.509 7.771 -2.342
202 HH TYR 25 HH TYR 25 16.875 9.003 -0.933
203 H LEU 26 HN LEU 26 14.037 1.738 2.435
204 HA LEU 26 HA LEU 26 16.305 2.845 3.930
205 HB2 LEU 26 HB2 LEU 26 14.251 0.658 4.328
206 HB3 LEU 26 HB3 LEU 26 15.551 0.919 5.490
207 HG LEU 26 HG LEU 26 14.021 3.329 4.642
208 HD11 LEU 26 HD11 LEU 26 12.334 1.439 5.016
209 HD12 LEU 26 HD12 LEU 26 12.129 2.874 6.021
210 HD13 LEU 26 HD13 LEU 26 12.877 1.425 6.695
211 HD21 LEU 26 HD21 LEU 26 15.024 2.280 7.310
212 HD22 LEU 26 HD22 LEU 26 14.351 3.885 7.025
213 HD23 LEU 26 HD23 LEU 26 15.879 3.424 6.274
214 H LEU 27 HN LEU 27 15.785 0.279 1.653
215 HA LEU 27 HA LEU 27 18.574 -0.696 2.080
216 HB2 LEU 27 HB2 LEU 27 16.585 -2.035 3.175
217 HB3 LEU 27 HB3 LEU 27 16.296 -2.587 1.524
218 HG LEU 27 HG LEU 27 18.930 -3.019 1.597
219 HD11 LEU 27 HD11 LEU 27 18.977 -2.056 3.968
220 HD12 LEU 27 HD12 LEU 27 19.748 -3.628 3.754
221 HD13 LEU 27 HD13 LEU 27 18.142 -3.525 4.473
222 HD21 LEU 27 HD21 LEU 27 16.910 -4.848 2.937
223 HD22 LEU 27 HD22 LEU 27 18.439 -5.345 2.212
224 HD23 LEU 27 HD23 LEU 27 17.148 -4.708 1.194
225 HA PRO 28 HA PRO 28 17.290 -0.367 -2.404
226 HB2 PRO 28 HB2 PRO 28 18.066 2.181 -3.043
227 HB3 PRO 28 HB3 PRO 28 16.454 1.778 -2.426
228 HG2 PRO 28 HG2 PRO 28 18.611 3.218 -1.114
229 HG3 PRO 28 HG3 PRO 28 16.912 3.084 -0.663
230 HD2 PRO 28 HD2 PRO 28 19.192 1.650 0.414
231 HD3 PRO 28 HD3 PRO 28 17.521 1.683 0.993
232 H ASN 29 HN ASN 29 20.199 0.540 -0.681
233 HA ASN 29 HA ASN 29 21.877 0.068 -3.111
234 HB2 ASN 29 HB2 ASN 29 23.617 1.200 -1.802
235 HB3 ASN 29 HB3 ASN 29 22.145 2.168 -1.793
236 HD21 ASN 29 HD21 ASN 29 21.096 2.520 0.243
237 HD22 ASN 29 HD22 ASN 29 21.696 1.911 1.709
238 H ARG 30 HN ARG 30 20.586 -1.799 -0.721
239 HA ARG 30 HA ARG 30 22.864 -3.711 -0.819
240 HB2 ARG 30 HB2 ARG 30 22.783 -2.088 1.245
241 HB3 ARG 30 HB3 ARG 30 21.462 -3.128 1.782
242 HG2 ARG 30 HG2 ARG 30 23.354 -4.139 2.749
243 HG3 ARG 30 HG3 ARG 30 23.099 -5.087 1.284
244 HD2 ARG 30 HD2 ARG 30 25.315 -4.629 0.896
245 HD3 ARG 30 HD3 ARG 30 24.705 -3.057 0.344
246 HE ARG 30 HE ARG 30 25.277 -2.112 2.495
247 HH11 ARG 30 HH11 ARG 30 27.844 -3.470 2.070
248 HH12 ARG 30 HH12 ARG 30 28.037 -4.420 3.506
249 HH21 ARG 30 HH21 ARG 30 24.687 -4.205 4.411
250 HH22 ARG 30 HH22 ARG 30 26.242 -4.839 4.837
Start of MODEL 34
1 HA HIS 1 HA HIS 1 -4.165 -13.249 -8.315
2 HB2 HIS 1 HB2 HIS 1 -3.716 -15.331 -10.235
3 HB3 HIS 1 HB3 HIS 1 -4.017 -13.835 -11.118
4 HD1 HIS 1 HD1 HIS 1 -2.678 -11.698 -9.594
5 HD2 HIS 1 HD2 HIS 1 -1.002 -15.508 -9.836
6 HE1 HIS 1 HE1 HIS 1 -0.212 -11.430 -9.084
7 H SER 2 HN SER 2 -4.577 -11.957 -10.853
8 HA SER 2 HA SER 2 -6.098 -10.491 -11.893
9 HB2 SER 2 HB2 SER 2 -7.893 -12.867 -11.297
10 HB3 SER 2 HB3 SER 2 -8.293 -11.568 -12.415
11 HG SER 2 HG SER 2 -7.342 -13.003 -13.709
12 H VAL 3 HN VAL 3 -5.679 -10.035 -9.093
13 HA VAL 3 HA VAL 3 -6.616 -8.891 -7.254
14 HB VAL 3 HB VAL 3 -8.655 -8.042 -9.336
15 HG11 VAL 3 HG11 VAL 3 -8.401 -5.855 -8.071
16 HG12 VAL 3 HG12 VAL 3 -7.463 -6.745 -6.871
17 HG13 VAL 3 HG13 VAL 3 -9.154 -7.160 -7.154
18 HG21 VAL 3 HG21 VAL 3 -6.862 -6.150 -9.655
19 HG22 VAL 3 HG22 VAL 3 -6.646 -7.685 -10.496
20 HG23 VAL 3 HG23 VAL 3 -5.739 -7.353 -9.020
21 H SER 4 HN SER 4 -7.421 -11.588 -7.334
22 HA SER 4 HA SER 4 -10.336 -11.770 -7.053
23 HB2 SER 4 HB2 SER 4 -9.275 -13.672 -7.964
24 HB3 SER 4 HB3 SER 4 -7.961 -13.605 -6.795
25 HG SER 4 HG SER 4 -10.593 -14.548 -6.509
26 H HIS 5 HN HIS 5 -7.640 -11.169 -4.960
27 HA HIS 5 HA HIS 5 -9.452 -11.379 -2.576
28 HB2 HIS 5 HB2 HIS 5 -6.716 -12.381 -3.173
29 HB3 HIS 5 HB3 HIS 5 -6.978 -11.756 -1.546
30 HD1 HIS 5 HD1 HIS 5 -8.850 -14.090 -3.943
31 HD2 HIS 5 HD2 HIS 5 -7.982 -13.702 0.118
32 HE1 HIS 5 HE1 HIS 5 -9.877 -16.099 -2.796
33 H ALA 6 HN ALA 6 -9.506 -8.983 -3.762
34 HA ALA 6 HA ALA 6 -7.386 -7.250 -2.583
35 HB1 ALA 6 HB1 ALA 6 -8.119 -5.656 -4.190
36 HB2 ALA 6 HB2 ALA 6 -9.685 -6.445 -4.372
37 HB3 ALA 6 HB3 ALA 6 -8.234 -7.208 -5.021
38 H ARG 7 HN ARG 7 -9.791 -8.561 -1.082
39 HA ARG 7 HA ARG 7 -11.684 -6.566 -0.338
40 HB2 ARG 7 HB2 ARG 7 -10.745 -9.187 0.556
41 HB3 ARG 7 HB3 ARG 7 -11.254 -8.174 1.906
42 HG2 ARG 7 HG2 ARG 7 -13.320 -7.650 0.358
43 HG3 ARG 7 HG3 ARG 7 -12.862 -9.160 -0.431
44 HD2 ARG 7 HD2 ARG 7 -14.122 -10.152 1.199
45 HD3 ARG 7 HD3 ARG 7 -12.731 -9.835 2.254
46 HE ARG 7 HE ARG 7 -15.218 -8.239 2.151
47 HH11 ARG 7 HH11 ARG 7 -13.472 -9.309 4.529
48 HH12 ARG 7 HH12 ARG 7 -12.917 -7.805 5.182
49 HH21 ARG 7 HH21 ARG 7 -13.847 -5.951 2.393
50 HH22 ARG 7 HH22 ARG 7 -13.131 -5.897 3.969
51 HA PRO 8 HA PRO 8 -8.752 -5.357 3.252
52 HB2 PRO 8 HB2 PRO 8 -6.182 -6.293 3.225
53 HB3 PRO 8 HB3 PRO 8 -7.517 -7.160 4.007
54 HG2 PRO 8 HG2 PRO 8 -6.218 -7.658 1.385
55 HG3 PRO 8 HG3 PRO 8 -6.853 -8.809 2.568
56 HD2 PRO 8 HD2 PRO 8 -8.152 -8.085 0.263
57 HD3 PRO 8 HD3 PRO 8 -8.963 -8.710 1.715
58 H ARG 9 HN ARG 9 -7.748 -5.527 -0.060
59 HA ARG 9 HA ARG 9 -5.811 -3.302 0.159
60 HB2 ARG 9 HB2 ARG 9 -6.916 -4.831 -2.230
61 HB3 ARG 9 HB3 ARG 9 -5.502 -3.779 -2.242
62 HG2 ARG 9 HG2 ARG 9 -5.533 -5.996 -0.242
63 HG3 ARG 9 HG3 ARG 9 -5.297 -6.437 -1.932
64 HD2 ARG 9 HD2 ARG 9 -3.449 -4.708 -2.043
65 HD3 ARG 9 HD3 ARG 9 -3.605 -4.529 -0.284
66 HE ARG 9 HE ARG 9 -2.492 -6.858 -1.673
67 HH11 ARG 9 HH21 ARG 9 -1.412 -5.844 0.907
68 HH12 ARG 9 HH22 ARG 9 -1.997 -7.008 2.048
69 HH21 ARG 9 HH11 ARG 9 -4.396 -8.301 -0.108
70 HH22 ARG 9 HH12 ARG 9 -3.690 -8.405 1.471
71 H TRP 10 HN TRP 10 -7.795 -3.265 -2.677
72 HA TRP 10 HA TRP 10 -9.289 -1.679 -3.540
73 HB2 TRP 10 HB2 TRP 10 -10.339 -2.800 -1.297
74 HB3 TRP 10 HB3 TRP 10 -10.378 -1.102 -0.835
75 HD1 TRP 10 HD1 TRP 10 -11.359 0.526 -3.018
76 HE1 TRP 10 HE1 TRP 10 -13.530 0.100 -4.339
77 HE3 TRP 10 HE3 TRP 10 -12.038 -4.438 -2.025
78 HZ2 TRP 10 HZ2 TRP 10 -15.321 -2.060 -4.899
79 HZ3 TRP 10 HZ3 TRP 10 -13.983 -5.653 -2.963
80 HH2 TRP 10 HH2 TRP 10 -15.624 -4.471 -4.398
81 H PHE 11 HN PHE 11 -9.040 -0.092 -0.353
82 HA PHE 11 HA PHE 11 -8.044 2.363 -1.714
83 HB2 PHE 11 HB2 PHE 11 -9.149 1.821 1.068
84 HB3 PHE 11 HB3 PHE 11 -8.753 3.417 0.431
85 HD1 PHE 11 HD2 PHE 11 -9.948 4.193 -1.712
86 HD2 PHE 11 HD1 PHE 11 -11.252 0.836 0.629
87 HE1 PHE 11 HE2 PHE 11 -12.187 4.324 -2.769
88 HE2 PHE 11 HE1 PHE 11 -13.489 0.966 -0.430
89 HZ PHE 11 HZ PHE 11 -13.958 2.712 -2.129
90 H TRP 12 HN TRP 12 -7.199 0.013 0.806
91 HA TRP 12 HA TRP 12 -4.818 1.413 1.713
92 HB2 TRP 12 HB2 TRP 12 -6.052 -0.145 3.133
93 HB3 TRP 12 HB3 TRP 12 -5.817 -1.443 1.965
94 HD1 TRP 12 HD1 TRP 12 -3.759 -2.905 2.282
95 HE1 TRP 12 HE1 TRP 12 -1.599 -2.762 3.682
96 HE3 TRP 12 HE3 TRP 12 -4.266 1.795 4.212
97 HZ2 TRP 12 HZ2 TRP 12 -0.264 -0.901 5.396
98 HZ3 TRP 12 HZ3 TRP 12 -2.539 2.727 5.725
99 HH2 TRP 12 HH2 TRP 12 -0.540 1.385 6.319
100 H PHE 13 HN PHE 13 -5.517 -0.425 -1.087
101 HA PHE 13 HA PHE 13 -3.080 -1.805 -1.562
102 HB2 PHE 13 HB2 PHE 13 -5.073 -2.165 -2.895
103 HB3 PHE 13 HB3 PHE 13 -5.081 -0.479 -3.407
104 HD1 PHE 13 HD2 PHE 13 -2.751 -3.424 -3.358
105 HD2 PHE 13 HD1 PHE 13 -4.165 0.031 -5.482
106 HE1 PHE 13 HE2 PHE 13 -1.270 -3.991 -5.266
107 HE2 PHE 13 HE1 PHE 13 -2.684 -0.535 -7.390
108 HZ PHE 13 HZ PHE 13 -1.235 -2.546 -7.281
109 H SER 14 HN SER 14 -4.052 1.451 -2.629
110 HA SER 14 HA SER 14 -1.529 2.172 -3.785
111 HB2 SER 14 HB2 SER 14 -2.476 4.519 -3.435
112 HB3 SER 14 HB3 SER 14 -3.518 3.413 -4.325
113 HG SER 14 HG SER 14 -4.783 4.317 -2.770
114 H LEU 15 HN LEU 15 -2.861 2.464 -0.547
115 HA LEU 15 HA LEU 15 -0.706 3.983 0.641
116 HB2 LEU 15 HB2 LEU 15 -3.167 2.604 1.377
117 HB3 LEU 15 HB3 LEU 15 -1.911 2.328 2.583
118 HG LEU 15 HG LEU 15 -2.337 5.107 1.538
119 HD11 LEU 15 HD11 LEU 15 -3.982 5.445 3.414
120 HD12 LEU 15 HD12 LEU 15 -4.037 3.693 3.611
121 HD13 LEU 15 HD13 LEU 15 -4.590 4.429 2.107
122 HD21 LEU 15 HD21 LEU 15 -1.309 3.783 4.047
123 HD22 LEU 15 HD22 LEU 15 -1.778 5.483 4.053
124 HD23 LEU 15 HD23 LEU 15 -0.485 4.928 2.989
125 H LEU 16 HN LEU 16 -1.410 0.509 0.323
126 HA LEU 16 HA LEU 16 0.841 -0.476 1.805
127 HB2 LEU 16 HB2 LEU 16 -1.323 -1.644 1.062
128 HB3 LEU 16 HB3 LEU 16 -0.588 -1.775 -0.531
129 HG LEU 16 HG LEU 16 -0.361 -3.782 1.104
130 HD11 LEU 16 HD11 LEU 16 1.130 -2.890 -1.027
131 HD12 LEU 16 HD12 LEU 16 1.324 -4.460 -0.247
132 HD13 LEU 16 HD13 LEU 16 2.361 -3.111 0.217
133 HD21 LEU 16 HD21 LEU 16 0.448 -2.165 2.960
134 HD22 LEU 16 HD22 LEU 16 1.995 -2.185 2.112
135 HD23 LEU 16 HD23 LEU 16 1.325 -3.683 2.760
136 H LEU 17 HN LEU 17 0.344 0.316 -1.596
137 HA LEU 17 HA LEU 17 2.837 -0.620 -2.635
138 HB2 LEU 17 HB2 LEU 17 0.637 0.295 -3.747
139 HB3 LEU 17 HB3 LEU 17 1.438 1.860 -3.608
140 HG LEU 17 HG LEU 17 3.473 0.569 -4.691
141 HD11 LEU 17 HD11 LEU 17 2.374 -1.641 -4.620
142 HD12 LEU 17 HD12 LEU 17 2.701 -1.156 -6.284
143 HD13 LEU 17 HD13 LEU 17 1.067 -1.026 -5.633
144 HD21 LEU 17 HD21 LEU 17 0.999 1.666 -6.019
145 HD22 LEU 17 HD22 LEU 17 2.339 1.063 -6.992
146 HD23 LEU 17 HD23 LEU 17 2.595 2.403 -5.876
147 H LEU 18 HN LEU 18 1.861 2.416 -1.146
148 HA LEU 18 HA LEU 18 4.340 3.837 -1.516
149 HB2 LEU 18 HB2 LEU 18 1.924 4.620 -0.893
150 HB3 LEU 18 HB3 LEU 18 2.407 4.244 0.762
151 HG LEU 18 HG LEU 18 4.496 5.695 0.271
152 HD11 LEU 18 HD11 LEU 18 4.263 5.873 -2.137
153 HD12 LEU 18 HD12 LEU 18 4.024 7.476 -1.442
154 HD13 LEU 18 HD13 LEU 18 2.634 6.529 -1.973
155 HD21 LEU 18 HD21 LEU 18 3.261 7.745 0.867
156 HD22 LEU 18 HD22 LEU 18 2.643 6.365 1.772
157 HD23 LEU 18 HD23 LEU 18 1.747 6.981 0.384
158 H ALA 19 HN ALA 19 3.054 1.754 1.024
159 HA ALA 19 HA ALA 19 5.143 2.129 2.965
160 HB1 ALA 19 HB1 ALA 19 4.113 0.248 4.022
161 HB2 ALA 19 HB2 ALA 19 3.541 -0.395 2.484
162 HB3 ALA 19 HB3 ALA 19 2.803 1.057 3.161
163 H ALA 20 HN ALA 20 4.746 -0.139 0.242
164 HA ALA 20 HA ALA 20 7.052 -1.773 0.756
165 HB1 ALA 20 HB1 ALA 20 5.244 -1.115 -1.540
166 HB2 ALA 20 HB2 ALA 20 5.568 -2.676 -0.786
167 HB3 ALA 20 HB3 ALA 20 6.745 -1.971 -1.895
168 H GLY 21 HN GLY 21 6.613 1.248 -1.093
169 HA2 GLY 21 HA2 GLY 21 9.273 1.344 -2.186
170 HA3 GLY 21 HA3 GLY 21 8.182 2.722 -2.031
171 H VAL 22 HN VAL 22 7.823 2.660 0.796
172 HA VAL 22 HA VAL 22 10.081 4.159 1.714
173 HB VAL 22 HB VAL 22 7.875 2.674 3.191
174 HG11 VAL 22 HG11 VAL 22 9.739 4.877 4.134
175 HG12 VAL 22 HG12 VAL 22 9.721 3.212 4.714
176 HG13 VAL 22 HG13 VAL 22 8.350 4.273 5.035
177 HG21 VAL 22 HG21 VAL 22 7.793 5.609 2.997
178 HG22 VAL 22 HG22 VAL 22 6.517 4.428 2.700
179 HG23 VAL 22 HG23 VAL 22 7.684 4.803 1.432
180 H GLY 23 HN GLY 23 9.162 0.737 2.222
181 HA2 GLY 23 HA2 GLY 23 11.337 0.079 3.976
182 HA3 GLY 23 HA3 GLY 23 10.406 -1.083 3.028
183 H ILE 24 HN ILE 24 10.952 -0.228 0.428
184 HA ILE 24 HA ILE 24 13.559 -1.368 -0.054
185 HB ILE 24 HB ILE 24 11.530 0.175 -1.702
186 HG12 ILE 24 HG12 ILE 24 12.456 -2.700 -1.935
187 HG13 ILE 24 HG13 ILE 24 11.132 -2.217 -0.875
188 HG21 ILE 24 HG21 ILE 24 14.197 -0.980 -2.559
189 HG22 ILE 24 HG22 ILE 24 13.623 0.673 -2.772
190 HG23 ILE 24 HG23 ILE 24 12.890 -0.641 -3.694
191 HD11 ILE 24 HD11 ILE 24 10.016 -1.161 -2.874
192 HD12 ILE 24 HD12 ILE 24 10.172 -2.915 -2.983
193 HD13 ILE 24 HD13 ILE 24 11.276 -1.874 -3.883
194 H TYR 25 HN TYR 25 12.393 2.004 0.194
195 HA TYR 25 HA TYR 25 14.792 3.275 -0.756
196 HB2 TYR 25 HB2 TYR 25 12.442 4.239 -0.300
197 HB3 TYR 25 HB3 TYR 25 12.945 4.342 1.389
198 HD1 TYR 25 HD2 TYR 25 13.552 5.589 -2.032
199 HD2 TYR 25 HD1 TYR 25 14.690 5.887 2.099
200 HE1 TYR 25 HE2 TYR 25 14.780 7.687 -2.521
201 HE2 TYR 25 HE1 TYR 25 15.919 7.983 1.610
202 HH TYR 25 HH TYR 25 17.024 8.907 -0.955
203 H LEU 26 HN LEU 26 13.937 1.764 2.293
204 HA LEU 26 HA LEU 26 16.162 2.920 3.813
205 HB2 LEU 26 HB2 LEU 26 13.850 1.144 4.193
206 HB3 LEU 26 HB3 LEU 26 15.271 0.593 5.076
207 HG LEU 26 HG LEU 26 13.946 2.110 6.475
208 HD11 LEU 26 HD11 LEU 26 16.309 3.761 5.639
209 HD12 LEU 26 HD12 LEU 26 16.573 2.154 6.315
210 HD13 LEU 26 HD13 LEU 26 15.731 3.381 7.261
211 HD21 LEU 26 HD21 LEU 26 12.836 3.416 4.747
212 HD22 LEU 26 HD22 LEU 26 14.380 4.069 4.198
213 HD23 LEU 26 HD23 LEU 26 13.748 4.514 5.783
214 H LEU 27 HN LEU 27 15.561 0.122 1.769
215 HA LEU 27 HA LEU 27 18.400 -0.760 2.171
216 HB2 LEU 27 HB2 LEU 27 16.426 -2.100 3.241
217 HB3 LEU 27 HB3 LEU 27 16.099 -2.621 1.588
218 HG LEU 27 HG LEU 27 18.612 -3.238 1.491
219 HD11 LEU 27 HD11 LEU 27 18.560 -3.739 4.391
220 HD12 LEU 27 HD12 LEU 27 18.645 -2.029 3.967
221 HD13 LEU 27 HD13 LEU 27 19.874 -3.146 3.375
222 HD21 LEU 27 HD21 LEU 27 16.790 -4.785 3.363
223 HD22 LEU 27 HD22 LEU 27 18.163 -5.439 2.468
224 HD23 LEU 27 HD23 LEU 27 16.734 -4.872 1.602
225 HA PRO 28 HA PRO 28 17.248 -0.460 -2.346
226 HB2 PRO 28 HB2 PRO 28 18.150 2.046 -3.000
227 HB3 PRO 28 HB3 PRO 28 16.498 1.714 -2.446
228 HG2 PRO 28 HG2 PRO 28 18.654 3.092 -1.065
229 HG3 PRO 28 HG3 PRO 28 16.933 3.040 -0.695
230 HD2 PRO 28 HD2 PRO 28 19.082 1.548 0.538
231 HD3 PRO 28 HD3 PRO 28 17.379 1.635 1.004
232 H ASN 29 HN ASN 29 20.115 0.406 -0.531
233 HA ASN 29 HA ASN 29 21.883 -0.250 -2.851
234 HB2 ASN 29 HB2 ASN 29 22.135 1.252 -0.257
235 HB3 ASN 29 HB3 ASN 29 23.589 0.616 -1.027
236 HD21 ASN 29 HD21 ASN 29 20.704 2.653 -1.756
237 HD22 ASN 29 HD22 ASN 29 21.492 3.608 -2.918
238 H ARG 30 HN ARG 30 20.597 -1.594 0.057
239 HA ARG 30 HA ARG 30 20.983 -3.629 1.164
240 HB2 ARG 30 HB2 ARG 30 21.333 -3.986 -1.564
241 HB3 ARG 30 HB3 ARG 30 22.809 -4.675 -0.889
242 HG2 ARG 30 HG2 ARG 30 21.360 -6.505 -0.818
243 HG3 ARG 30 HG3 ARG 30 21.168 -5.834 0.802
244 HD2 ARG 30 HD2 ARG 30 19.038 -5.025 0.366
245 HD3 ARG 30 HD3 ARG 30 19.367 -4.800 -1.363
246 HE ARG 30 HE ARG 30 19.240 -7.271 -1.620
247 HH11 ARG 30 HH11 ARG 30 16.526 -6.491 -0.710
248 HH12 ARG 30 HH12 ARG 30 16.247 -7.559 0.624
249 HH21 ARG 30 HH21 ARG 30 19.603 -8.397 0.989
250 HH22 ARG 30 HH22 ARG 30 17.999 -8.644 1.590
Start of MODEL 35
1 HA HIS 1 HA HIS 1 -4.300 -12.530 -8.651
2 HB2 HIS 1 HB2 HIS 1 -6.585 -10.542 -8.448
3 HB3 HIS 1 HB3 HIS 1 -5.780 -11.218 -7.032
4 HD1 HIS 1 HD1 HIS 1 -3.153 -10.703 -6.821
5 HD2 HIS 1 HD2 HIS 1 -5.187 -8.470 -9.695
6 HE1 HIS 1 HE1 HIS 1 -1.640 -8.765 -7.425
7 H SER 2 HN SER 2 -4.870 -14.472 -7.733
8 HA SER 2 HA SER 2 -7.651 -15.488 -8.175
9 HB2 SER 2 HB2 SER 2 -5.035 -16.869 -7.495
10 HB3 SER 2 HB3 SER 2 -6.560 -17.691 -7.807
11 HG SER 2 HG SER 2 -5.586 -17.658 -9.747
12 H VAL 3 HN VAL 3 -6.758 -13.627 -5.919
13 HA VAL 3 HA VAL 3 -7.086 -13.407 -3.595
14 HB VAL 3 HB VAL 3 -8.918 -15.772 -4.120
15 HG11 VAL 3 HG11 VAL 3 -10.277 -14.443 -2.341
16 HG12 VAL 3 HG12 VAL 3 -8.739 -13.661 -1.977
17 HG13 VAL 3 HG13 VAL 3 -8.906 -15.408 -1.795
18 HG21 VAL 3 HG21 VAL 3 -9.159 -12.833 -4.736
19 HG22 VAL 3 HG22 VAL 3 -10.603 -13.775 -4.368
20 HG23 VAL 3 HG23 VAL 3 -9.593 -14.215 -5.743
21 H SER 4 HN SER 4 -4.717 -14.581 -3.884
22 HA SER 4 HA SER 4 -4.526 -17.256 -2.748
23 HB2 SER 4 HB2 SER 4 -2.907 -15.461 -4.156
24 HB3 SER 4 HB3 SER 4 -2.137 -15.594 -2.577
25 HG SER 4 HG SER 4 -1.881 -17.738 -2.876
26 H HIS 5 HN HIS 5 -4.614 -14.029 -1.466
27 HA HIS 5 HA HIS 5 -4.026 -15.082 1.282
28 HB2 HIS 5 HB2 HIS 5 -2.583 -13.284 -0.071
29 HB3 HIS 5 HB3 HIS 5 -3.811 -12.187 0.552
30 HD1 HIS 5 HD1 HIS 5 -4.306 -12.950 3.332
31 HD2 HIS 5 HD2 HIS 5 -0.481 -13.298 1.706
32 HE1 HIS 5 HE1 HIS 5 -2.694 -12.972 5.286
33 H ALA 6 HN ALA 6 -6.645 -15.030 -0.136
34 HA ALA 6 HA ALA 6 -8.890 -14.487 0.327
35 HB1 ALA 6 HB1 ALA 6 -7.793 -15.115 2.619
36 HB2 ALA 6 HB2 ALA 6 -9.367 -14.321 2.623
37 HB3 ALA 6 HB3 ALA 6 -7.909 -13.388 2.956
38 H ARG 7 HN ARG 7 -7.139 -12.441 -0.948
39 HA ARG 7 HA ARG 7 -7.189 -10.159 -1.542
40 HB2 ARG 7 HB2 ARG 7 -9.998 -10.781 -0.602
41 HB3 ARG 7 HB3 ARG 7 -9.576 -9.234 -1.333
42 HG2 ARG 7 HG2 ARG 7 -8.483 -10.833 -3.180
43 HG3 ARG 7 HG3 ARG 7 -9.716 -11.944 -2.581
44 HD2 ARG 7 HD2 ARG 7 -10.366 -9.090 -3.384
45 HD3 ARG 7 HD3 ARG 7 -10.461 -10.452 -4.518
46 HE ARG 7 HE ARG 7 -11.902 -10.635 -1.909
47 HH11 ARG 7 HH21 ARG 7 -13.325 -8.941 -3.945
48 HH12 ARG 7 HH22 ARG 7 -14.323 -10.106 -4.748
49 HH21 ARG 7 HH11 ARG 7 -12.544 -12.842 -3.549
50 HH22 ARG 7 HH12 ARG 7 -13.878 -12.325 -4.524
51 HA PRO 8 HA PRO 8 -6.754 -8.786 2.875
52 HB2 PRO 8 HB2 PRO 8 -4.068 -8.292 2.811
53 HB3 PRO 8 HB3 PRO 8 -4.743 -9.884 3.200
54 HG2 PRO 8 HG2 PRO 8 -3.497 -8.921 0.693
55 HG3 PRO 8 HG3 PRO 8 -3.475 -10.532 1.423
56 HD2 PRO 8 HD2 PRO 8 -5.073 -9.758 -0.707
57 HD3 PRO 8 HD3 PRO 8 -5.357 -11.170 0.332
58 H ARG 9 HN ARG 9 -5.628 -6.605 3.560
59 HA ARG 9 HA ARG 9 -5.449 -4.277 3.313
60 HB2 ARG 9 HB2 ARG 9 -4.679 -5.307 0.574
61 HB3 ARG 9 HB3 ARG 9 -4.628 -3.591 0.970
62 HG2 ARG 9 HG2 ARG 9 -2.538 -4.012 1.737
63 HG3 ARG 9 HG3 ARG 9 -3.345 -4.725 3.133
64 HD2 ARG 9 HD2 ARG 9 -3.414 -6.780 1.255
65 HD3 ARG 9 HD3 ARG 9 -1.815 -6.049 1.013
66 HE ARG 9 HE ARG 9 -2.802 -6.846 3.732
67 HH11 ARG 9 HH11 ARG 9 -0.316 -5.324 3.783
68 HH12 ARG 9 HH12 ARG 9 0.912 -6.538 3.661
69 HH21 ARG 9 HH21 ARG 9 -1.258 -8.989 2.492
70 HH22 ARG 9 HH22 ARG 9 0.378 -8.621 2.925
71 H TRP 10 HN TRP 10 -6.695 -4.935 0.025
72 HA TRP 10 HA TRP 10 -8.731 -4.353 -1.007
73 HB2 TRP 10 HB2 TRP 10 -9.396 -5.312 1.452
74 HB3 TRP 10 HB3 TRP 10 -10.033 -3.673 1.579
75 HD1 TRP 10 HD1 TRP 10 -11.005 -6.980 0.436
76 HE1 TRP 10 HE1 TRP 10 -13.031 -6.872 -1.156
77 HE3 TRP 10 HE3 TRP 10 -11.034 -1.982 -0.622
78 HZ2 TRP 10 HZ2 TRP 10 -14.470 -4.924 -2.677
79 HZ3 TRP 10 HZ3 TRP 10 -12.740 -1.030 -2.143
80 HH2 TRP 10 HH2 TRP 10 -14.457 -2.493 -3.172
81 H PHE 11 HN PHE 11 -8.691 -2.241 1.896
82 HA PHE 11 HA PHE 11 -9.010 0.133 0.124
83 HB2 PHE 11 HB2 PHE 11 -9.268 -0.377 3.105
84 HB3 PHE 11 HB3 PHE 11 -9.473 1.215 2.376
85 HD1 PHE 11 HD2 PHE 11 -11.329 1.636 0.768
86 HD2 PHE 11 HD1 PHE 11 -10.953 -2.088 2.878
87 HE1 PHE 11 HE2 PHE 11 -13.679 1.077 0.202
88 HE2 PHE 11 HE1 PHE 11 -13.301 -2.645 2.312
89 HZ PHE 11 HZ PHE 11 -14.665 -1.063 0.974
90 H TRP 12 HN TRP 12 -6.611 -1.494 2.051
91 HA TRP 12 HA TRP 12 -4.890 0.920 2.274
92 HB2 TRP 12 HB2 TRP 12 -4.650 -1.951 3.234
93 HB3 TRP 12 HB3 TRP 12 -3.484 -0.683 3.597
94 HD1 TRP 12 HD1 TRP 12 -7.033 -1.820 4.385
95 HE1 TRP 12 HE1 TRP 12 -7.890 -0.522 6.440
96 HE3 TRP 12 HE3 TRP 12 -3.234 1.547 4.953
97 HZ2 TRP 12 HZ2 TRP 12 -7.073 1.653 8.106
98 HZ3 TRP 12 HZ3 TRP 12 -3.299 3.218 6.781
99 HH2 TRP 12 HH2 TRP 12 -5.212 3.276 8.357
100 H PHE 13 HN PHE 13 -5.511 -0.848 -0.302
101 HA PHE 13 HA PHE 13 -3.038 -2.060 -1.100
102 HB2 PHE 13 HB2 PHE 13 -5.115 -2.582 -2.212
103 HB3 PHE 13 HB3 PHE 13 -5.392 -0.884 -2.602
104 HD1 PHE 13 HD2 PHE 13 -2.931 -3.655 -3.163
105 HD2 PHE 13 HD1 PHE 13 -4.670 -0.023 -4.658
106 HE1 PHE 13 HE2 PHE 13 -1.687 -3.935 -5.289
107 HE2 PHE 13 HE1 PHE 13 -3.426 -0.303 -6.785
108 HZ PHE 13 HZ PHE 13 -1.934 -2.259 -7.100
109 H SER 14 HN SER 14 -4.383 1.168 -1.696
110 HA SER 14 HA SER 14 -2.225 2.202 -3.262
111 HB2 SER 14 HB2 SER 14 -4.115 3.615 -1.357
112 HB3 SER 14 HB3 SER 14 -3.219 4.378 -2.666
113 HG SER 14 HG SER 14 -4.583 3.565 -4.073
114 H LEU 15 HN LEU 15 -2.792 2.066 0.208
115 HA LEU 15 HA LEU 15 -0.550 3.666 1.054
116 HB2 LEU 15 HB2 LEU 15 -2.568 3.004 2.401
117 HB3 LEU 15 HB3 LEU 15 -1.957 1.350 2.435
118 HG LEU 15 HG LEU 15 0.118 3.205 3.239
119 HD11 LEU 15 HD11 LEU 15 -1.158 3.613 5.512
120 HD12 LEU 15 HD12 LEU 15 -2.594 3.469 4.497
121 HD13 LEU 15 HD13 LEU 15 -1.395 4.718 4.158
122 HD21 LEU 15 HD21 LEU 15 0.202 1.697 5.177
123 HD22 LEU 15 HD22 LEU 15 0.037 0.762 3.692
124 HD23 LEU 15 HD23 LEU 15 -1.362 1.016 4.735
125 H LEU 16 HN LEU 16 -0.972 0.151 0.527
126 HA LEU 16 HA LEU 16 1.647 -0.654 1.364
127 HB2 LEU 16 HB2 LEU 16 -0.577 -1.954 0.797
128 HB3 LEU 16 HB3 LEU 16 0.101 -2.012 -0.830
129 HG LEU 16 HG LEU 16 1.866 -2.780 1.465
130 HD11 LEU 16 HD11 LEU 16 -0.226 -4.604 0.238
131 HD12 LEU 16 HD12 LEU 16 -0.261 -3.978 1.887
132 HD13 LEU 16 HD13 LEU 16 1.018 -5.086 1.390
133 HD21 LEU 16 HD21 LEU 16 1.614 -3.280 -1.469
134 HD22 LEU 16 HD22 LEU 16 2.323 -4.563 -0.489
135 HD23 LEU 16 HD23 LEU 16 3.055 -2.959 -0.505
136 H LEU 17 HN LEU 17 0.364 0.494 -1.699
137 HA LEU 17 HA LEU 17 2.642 -0.034 -3.360
138 HB2 LEU 17 HB2 LEU 17 0.158 0.737 -3.831
139 HB3 LEU 17 HB3 LEU 17 0.847 2.355 -3.693
140 HG LEU 17 HG LEU 17 2.671 1.361 -5.344
141 HD11 LEU 17 HD11 LEU 17 1.971 -0.890 -5.526
142 HD12 LEU 17 HD12 LEU 17 1.353 -0.137 -6.997
143 HD13 LEU 17 HD13 LEU 17 0.268 -0.443 -5.640
144 HD21 LEU 17 HD21 LEU 17 1.498 2.403 -7.137
145 HD22 LEU 17 HD22 LEU 17 0.936 3.233 -5.686
146 HD23 LEU 17 HD23 LEU 17 -0.073 2.002 -6.444
147 H LEU 18 HN LEU 18 1.788 2.583 -1.193
148 HA LEU 18 HA LEU 18 4.061 4.286 -1.905
149 HB2 LEU 18 HB2 LEU 18 1.645 4.799 -0.921
150 HB3 LEU 18 HB3 LEU 18 2.454 4.522 0.621
151 HG LEU 18 HG LEU 18 3.719 6.350 -1.404
152 HD11 LEU 18 HD11 LEU 18 2.490 8.246 -0.463
153 HD12 LEU 18 HD12 LEU 18 1.587 7.164 0.597
154 HD13 LEU 18 HD13 LEU 18 1.354 7.085 -1.149
155 HD21 LEU 18 HD21 LEU 18 4.214 7.453 0.968
156 HD22 LEU 18 HD22 LEU 18 5.156 6.076 0.400
157 HD23 LEU 18 HD23 LEU 18 3.839 5.830 1.547
158 H ALA 19 HN ALA 19 3.184 2.049 0.676
159 HA ALA 19 HA ALA 19 5.476 2.480 2.369
160 HB1 ALA 19 HB1 ALA 19 4.659 0.496 3.482
161 HB2 ALA 19 HB2 ALA 19 3.801 -0.026 2.033
162 HB3 ALA 19 HB3 ALA 19 3.248 1.394 2.921
163 H ALA 20 HN ALA 20 4.852 0.300 -0.374
164 HA ALA 20 HA ALA 20 7.136 -1.398 -0.117
165 HB1 ALA 20 HB1 ALA 20 5.592 -0.400 -2.533
166 HB2 ALA 20 HB2 ALA 20 5.239 -1.849 -1.594
167 HB3 ALA 20 HB3 ALA 20 6.710 -1.763 -2.562
168 H GLY 21 HN GLY 21 6.718 1.730 -1.804
169 HA2 GLY 21 HA2 GLY 21 9.375 1.814 -2.914
170 HA3 GLY 21 HA3 GLY 21 8.305 3.203 -2.717
171 H VAL 22 HN VAL 22 7.943 3.268 0.029
172 HA VAL 22 HA VAL 22 10.350 4.535 0.967
173 HB VAL 22 HB VAL 22 7.867 3.484 2.373
174 HG11 VAL 22 HG11 VAL 22 10.198 5.128 3.355
175 HG12 VAL 22 HG12 VAL 22 9.417 3.748 4.128
176 HG13 VAL 22 HG13 VAL 22 8.599 5.310 4.078
177 HG21 VAL 22 HG21 VAL 22 7.623 5.280 0.590
178 HG22 VAL 22 HG22 VAL 22 8.616 6.320 1.609
179 HG23 VAL 22 HG23 VAL 22 7.055 5.745 2.194
180 H GLY 23 HN GLY 23 8.989 1.278 1.482
181 HA2 GLY 23 HA2 GLY 23 10.825 0.405 3.487
182 HA3 GLY 23 HA3 GLY 23 9.942 -0.660 2.394
183 H ILE 24 HN ILE 24 10.947 0.091 -0.084
184 HA ILE 24 HA ILE 24 13.483 -1.276 -0.165
185 HB ILE 24 HB ILE 24 11.856 0.399 -2.100
186 HG12 ILE 24 HG12 ILE 24 12.597 -2.538 -2.171
187 HG13 ILE 24 HG13 ILE 24 11.155 -1.940 -1.352
188 HG21 ILE 24 HG21 ILE 24 14.587 -0.828 -2.465
189 HG22 ILE 24 HG22 ILE 24 14.016 0.762 -2.968
190 HG23 ILE 24 HG23 ILE 24 13.482 -0.679 -3.831
191 HD11 ILE 24 HD11 ILE 24 10.263 -1.051 -3.407
192 HD12 ILE 24 HD12 ILE 24 10.764 -2.712 -3.730
193 HD13 ILE 24 HD13 ILE 24 11.773 -1.367 -4.262
194 H TYR 25 HN TYR 25 12.609 2.192 -0.105
195 HA TYR 25 HA TYR 25 15.239 3.213 -0.685
196 HB2 TYR 25 HB2 TYR 25 12.901 4.364 -0.590
197 HB3 TYR 25 HB3 TYR 25 13.236 4.547 1.134
198 HD1 TYR 25 HD2 TYR 25 15.081 5.952 1.925
199 HD2 TYR 25 HD1 TYR 25 14.248 5.528 -2.268
200 HE1 TYR 25 HE2 TYR 25 16.530 7.904 1.438
201 HE2 TYR 25 HE1 TYR 25 15.699 7.479 -2.754
202 HH TYR 25 HH TYR 25 17.920 8.587 -1.033
203 H LEU 26 HN LEU 26 13.739 1.937 2.230
204 HA LEU 26 HA LEU 26 15.809 2.911 4.061
205 HB2 LEU 26 HB2 LEU 26 13.305 1.359 4.096
206 HB3 LEU 26 HB3 LEU 26 14.503 0.757 5.238
207 HG LEU 26 HG LEU 26 13.080 2.458 6.303
208 HD11 LEU 26 HD11 LEU 26 15.702 3.850 5.856
209 HD12 LEU 26 HD12 LEU 26 15.690 2.263 6.626
210 HD13 LEU 26 HD13 LEU 26 14.809 3.605 7.358
211 HD21 LEU 26 HD21 LEU 26 13.260 4.830 5.486
212 HD22 LEU 26 HD22 LEU 26 12.429 3.758 4.358
213 HD23 LEU 26 HD23 LEU 26 14.102 4.226 4.058
214 H LEU 27 HN LEU 27 15.280 0.151 1.972
215 HA LEU 27 HA LEU 27 17.901 -1.014 2.840
216 HB2 LEU 27 HB2 LEU 27 15.593 -2.074 3.589
217 HB3 LEU 27 HB3 LEU 27 15.577 -2.697 1.938
218 HG LEU 27 HG LEU 27 18.015 -3.472 2.460
219 HD11 LEU 27 HD11 LEU 27 18.474 -3.900 4.808
220 HD12 LEU 27 HD12 LEU 27 16.890 -3.280 5.271
221 HD13 LEU 27 HD13 LEU 27 18.108 -2.185 4.617
222 HD21 LEU 27 HD21 LEU 27 15.650 -4.792 3.834
223 HD22 LEU 27 HD22 LEU 27 17.157 -5.587 3.378
224 HD23 LEU 27 HD23 LEU 27 16.069 -4.979 2.132
225 HA PRO 28 HA PRO 28 17.446 -0.745 -1.800
226 HB2 PRO 28 HB2 PRO 28 18.722 1.618 -2.352
227 HB3 PRO 28 HB3 PRO 28 16.984 1.495 -2.026
228 HG2 PRO 28 HG2 PRO 28 19.076 2.660 -0.383
229 HG3 PRO 28 HG3 PRO 28 17.326 2.799 -0.238
230 HD2 PRO 28 HD2 PRO 28 19.136 1.100 1.261
231 HD3 PRO 28 HD3 PRO 28 17.415 1.406 1.530
232 H ASN 29 HN ASN 29 20.154 -0.178 0.359
233 HA ASN 29 HA ASN 29 22.303 -0.516 -1.534
234 HB2 ASN 29 HB2 ASN 29 21.876 -0.573 1.417
235 HB3 ASN 29 HB3 ASN 29 23.347 -1.341 0.817
236 HD21 ASN 29 HD21 ASN 29 24.923 0.028 -0.317
237 HD22 ASN 29 HD22 ASN 29 24.856 1.720 -0.194
238 H ARG 30 HN ARG 30 20.341 -2.790 0.358
239 HA ARG 30 HA ARG 30 20.225 -5.139 0.353
240 HB2 ARG 30 HB2 ARG 30 21.010 -4.361 -2.463
241 HB3 ARG 30 HB3 ARG 30 20.688 -6.041 -2.036
242 HG2 ARG 30 HG2 ARG 30 18.443 -5.452 -1.263
243 HG3 ARG 30 HG3 ARG 30 18.758 -3.745 -1.581
244 HD2 ARG 30 HD2 ARG 30 18.381 -3.978 -3.821
245 HD3 ARG 30 HD3 ARG 30 19.260 -5.518 -3.896
246 HE ARG 30 HE ARG 30 17.188 -6.521 -2.754
247 HH11 ARG 30 HH21 ARG 30 15.756 -3.863 -2.508
248 HH12 ARG 30 HH22 ARG 30 14.675 -3.921 -3.859
249 HH21 ARG 30 HH11 ARG 30 16.372 -6.518 -5.436
250 HH22 ARG 30 HH12 ARG 30 15.026 -5.433 -5.527
Start of MODEL 36
1 HA HIS 1 HA HIS 1 -14.885 4.852 17.332
2 HB2 HIS 1 HB2 HIS 1 -14.430 4.653 19.828
3 HB3 HIS 1 HB3 HIS 1 -13.396 3.275 19.452
4 HD1 HIS 1 HD1 HIS 1 -13.620 7.007 19.059
5 HD2 HIS 1 HD2 HIS 1 -10.936 3.937 18.195
6 HE1 HIS 1 HE1 HIS 1 -11.439 8.121 18.414
7 H SER 2 HN SER 2 -13.641 4.480 15.526
8 HA SER 2 HA SER 2 -12.012 2.042 15.250
9 HB2 SER 2 HB2 SER 2 -13.289 1.407 13.141
10 HB3 SER 2 HB3 SER 2 -14.174 1.169 14.643
11 HG SER 2 HG SER 2 -14.569 2.989 12.584
12 H VAL 3 HN VAL 3 -10.885 4.462 15.271
13 HA VAL 3 HA VAL 3 -10.350 5.084 12.384
14 HB VAL 3 HB VAL 3 -10.141 7.473 13.136
15 HG11 VAL 3 HG11 VAL 3 -12.300 6.289 12.257
16 HG12 VAL 3 HG12 VAL 3 -12.438 7.895 12.971
17 HG13 VAL 3 HG13 VAL 3 -12.867 6.470 13.916
18 HG21 VAL 3 HG21 VAL 3 -9.819 6.671 15.607
19 HG22 VAL 3 HG22 VAL 3 -11.582 6.661 15.653
20 HG23 VAL 3 HG23 VAL 3 -10.718 8.158 15.306
21 H SER 4 HN SER 4 -8.807 3.293 13.962
22 HA SER 4 HA SER 4 -6.300 4.872 14.416
23 HB2 SER 4 HB2 SER 4 -7.536 2.519 15.838
24 HB3 SER 4 HB3 SER 4 -5.820 2.882 16.004
25 HG SER 4 HG SER 4 -8.071 4.358 16.815
26 H HIS 5 HN HIS 5 -6.629 1.374 14.359
27 HA HIS 5 HA HIS 5 -5.155 1.278 11.751
28 HB2 HIS 5 HB2 HIS 5 -4.268 0.630 14.401
29 HB3 HIS 5 HB3 HIS 5 -4.349 -0.863 13.469
30 HD1 HIS 5 HD1 HIS 5 -2.521 2.384 13.701
31 HD2 HIS 5 HD2 HIS 5 -2.616 -0.931 11.175
32 HE1 HIS 5 HE1 HIS 5 -0.483 2.563 12.208
33 H ALA 6 HN ALA 6 -7.966 0.907 12.067
34 HA ALA 6 HA ALA 6 -8.269 -2.056 11.690
35 HB1 ALA 6 HB1 ALA 6 -10.556 -1.708 12.528
36 HB2 ALA 6 HB2 ALA 6 -10.285 0.034 12.590
37 HB3 ALA 6 HB3 ALA 6 -9.396 -1.037 13.674
38 H ARG 7 HN ARG 7 -7.414 -0.848 9.452
39 HA ARG 7 HA ARG 7 -9.495 0.378 7.838
40 HB2 ARG 7 HB2 ARG 7 -7.808 0.224 6.075
41 HB3 ARG 7 HB3 ARG 7 -7.021 0.700 7.577
42 HG2 ARG 7 HG2 ARG 7 -6.390 -1.692 7.959
43 HG3 ARG 7 HG3 ARG 7 -7.090 -2.093 6.391
44 HD2 ARG 7 HD2 ARG 7 -4.834 -1.779 5.820
45 HD3 ARG 7 HD3 ARG 7 -5.486 -0.154 5.532
46 HE ARG 7 HE ARG 7 -4.829 0.194 8.062
47 HH11 ARG 7 HH11 ARG 7 -2.703 0.739 5.986
48 HH12 ARG 7 HH12 ARG 7 -1.364 -0.167 6.604
49 HH21 ARG 7 HH21 ARG 7 -3.308 -2.063 8.773
50 HH22 ARG 7 HH22 ARG 7 -1.708 -1.756 8.190
51 HA PRO 8 HA PRO 8 -11.311 -3.513 6.630
52 HB2 PRO 8 HB2 PRO 8 -13.386 -2.446 5.209
53 HB3 PRO 8 HB3 PRO 8 -13.339 -2.468 6.981
54 HG2 PRO 8 HG2 PRO 8 -12.992 -0.220 5.133
55 HG3 PRO 8 HG3 PRO 8 -13.460 -0.221 6.837
56 HD2 PRO 8 HD2 PRO 8 -10.899 0.374 5.726
57 HD3 PRO 8 HD3 PRO 8 -11.360 0.314 7.441
58 H ARG 9 HN ARG 9 -9.089 -2.290 4.960
59 HA ARG 9 HA ARG 9 -8.131 -2.605 2.849
60 HB2 ARG 9 HB2 ARG 9 -9.996 -4.763 3.372
61 HB3 ARG 9 HB3 ARG 9 -9.933 -4.418 1.644
62 HG2 ARG 9 HG2 ARG 9 -7.473 -4.585 1.692
63 HG3 ARG 9 HG3 ARG 9 -7.529 -4.920 3.424
64 HD2 ARG 9 HD2 ARG 9 -8.972 -6.934 2.913
65 HD3 ARG 9 HD3 ARG 9 -8.648 -6.647 1.191
66 HE ARG 9 HE ARG 9 -6.229 -6.939 1.686
67 HH11 ARG 9 HH21 ARG 9 -7.755 -9.468 2.523
68 HH12 ARG 9 HH22 ARG 9 -7.014 -9.807 4.050
69 HH21 ARG 9 HH11 ARG 9 -5.581 -6.654 4.348
70 HH22 ARG 9 HH12 ARG 9 -5.775 -8.208 5.087
71 H TRP 10 HN TRP 10 -8.918 -2.713 0.374
72 HA TRP 10 HA TRP 10 -10.001 -1.637 -1.427
73 HB2 TRP 10 HB2 TRP 10 -11.995 -2.373 0.176
74 HB3 TRP 10 HB3 TRP 10 -12.129 -0.635 0.440
75 HD1 TRP 10 HD1 TRP 10 -12.389 -3.283 -2.311
76 HE1 TRP 10 HE1 TRP 10 -13.660 -2.270 -4.313
77 HE3 TRP 10 HE3 TRP 10 -12.770 1.565 -0.753
78 HZ2 TRP 10 HZ2 TRP 10 -14.701 0.263 -5.143
79 HZ3 TRP 10 HZ3 TRP 10 -13.904 3.255 -2.166
80 HH2 TRP 10 HH2 TRP 10 -14.870 2.611 -4.357
81 H PHE 11 HN PHE 11 -9.516 0.343 -2.301
82 HA PHE 11 HA PHE 11 -8.894 2.613 -2.445
83 HB2 PHE 11 HB2 PHE 11 -11.104 2.504 -0.878
84 HB3 PHE 11 HB3 PHE 11 -9.958 3.194 0.272
85 HD1 PHE 11 HD1 PHE 11 -11.458 3.638 -3.107
86 HD2 PHE 11 HD2 PHE 11 -9.205 5.450 0.071
87 HE1 PHE 11 HE1 PHE 11 -11.685 5.849 -4.205
88 HE2 PHE 11 HE2 PHE 11 -9.433 7.661 -1.028
89 HZ PHE 11 HZ PHE 11 -10.672 7.859 -3.167
90 H TRP 12 HN TRP 12 -7.426 0.448 -0.567
91 HA TRP 12 HA TRP 12 -5.511 2.433 0.611
92 HB2 TRP 12 HB2 TRP 12 -6.600 -0.194 1.660
93 HB3 TRP 12 HB3 TRP 12 -5.190 0.594 2.362
94 HD1 TRP 12 HD1 TRP 12 -8.674 0.320 3.011
95 HE1 TRP 12 HE1 TRP 12 -9.624 2.371 4.248
96 HE3 TRP 12 HE3 TRP 12 -4.882 3.651 2.237
97 HZ2 TRP 12 HZ2 TRP 12 -8.873 5.068 4.837
98 HZ3 TRP 12 HZ3 TRP 12 -5.025 5.952 3.147
99 HH2 TRP 12 HH2 TRP 12 -7.014 6.664 4.446
100 H PHE 13 HN PHE 13 -5.747 0.508 -1.937
101 HA PHE 13 HA PHE 13 -3.526 -1.320 -1.712
102 HB2 PHE 13 HB2 PHE 13 -5.211 -1.714 -3.364
103 HB3 PHE 13 HB3 PHE 13 -5.088 -0.067 -3.980
104 HD1 PHE 13 HD2 PHE 13 -3.085 -3.204 -3.553
105 HD2 PHE 13 HD1 PHE 13 -3.674 0.412 -5.795
106 HE1 PHE 13 HE2 PHE 13 -1.375 -3.941 -5.191
107 HE2 PHE 13 HE1 PHE 13 -1.964 -0.325 -7.434
108 HZ PHE 13 HZ PHE 13 -0.814 -2.501 -7.131
109 H SER 14 HN SER 14 -3.883 1.966 -2.963
110 HA SER 14 HA SER 14 -1.201 2.313 -3.923
111 HB2 SER 14 HB2 SER 14 -3.319 3.712 -4.332
112 HB3 SER 14 HB3 SER 14 -3.012 4.439 -2.757
113 HG SER 14 HG SER 14 -1.020 5.152 -3.525
114 H LEU 15 HN LEU 15 -2.708 2.708 -0.778
115 HA LEU 15 HA LEU 15 -0.495 4.007 0.561
116 HB2 LEU 15 HB2 LEU 15 -2.886 3.984 1.297
117 HB3 LEU 15 HB3 LEU 15 -2.743 2.257 1.626
118 HG LEU 15 HG LEU 15 -0.580 3.722 2.891
119 HD11 LEU 15 HD11 LEU 15 -1.800 5.082 4.423
120 HD12 LEU 15 HD12 LEU 15 -3.347 4.419 3.895
121 HD13 LEU 15 HD13 LEU 15 -2.436 5.490 2.829
122 HD21 LEU 15 HD21 LEU 15 -2.881 2.033 3.927
123 HD22 LEU 15 HD22 LEU 15 -1.486 2.528 4.885
124 HD23 LEU 15 HD23 LEU 15 -1.271 1.453 3.503
125 H LEU 16 HN LEU 16 -1.531 0.601 0.218
126 HA LEU 16 HA LEU 16 0.517 -0.536 1.890
127 HB2 LEU 16 HB2 LEU 16 -1.740 -1.454 0.872
128 HB3 LEU 16 HB3 LEU 16 -0.706 -1.935 -0.474
129 HG LEU 16 HG LEU 16 0.221 -2.609 2.286
130 HD11 LEU 16 HD11 LEU 16 -2.055 -3.319 2.495
131 HD12 LEU 16 HD12 LEU 16 -1.131 -4.765 2.087
132 HD13 LEU 16 HD13 LEU 16 -2.083 -3.946 0.848
133 HD21 LEU 16 HD21 LEU 16 0.497 -3.610 -0.517
134 HD22 LEU 16 HD22 LEU 16 0.637 -4.792 0.784
135 HD23 LEU 16 HD23 LEU 16 1.728 -3.408 0.728
136 H LEU 17 HN LEU 17 0.327 0.183 -1.553
137 HA LEU 17 HA LEU 17 2.777 -1.044 -2.384
138 HB2 LEU 17 HB2 LEU 17 0.722 0.040 -3.657
139 HB3 LEU 17 HB3 LEU 17 1.714 1.495 -3.586
140 HG LEU 17 HG LEU 17 3.606 -0.125 -4.473
141 HD11 LEU 17 HD11 LEU 17 2.735 -1.882 -5.926
142 HD12 LEU 17 HD12 LEU 17 1.078 -1.447 -5.507
143 HD13 LEU 17 HD13 LEU 17 2.142 -2.144 -4.285
144 HD21 LEU 17 HD21 LEU 17 1.337 0.920 -6.200
145 HD22 LEU 17 HD22 LEU 17 2.938 0.476 -6.792
146 HD23 LEU 17 HD23 LEU 17 2.753 1.836 -5.684
147 H LEU 18 HN LEU 18 2.026 2.026 -0.894
148 HA LEU 18 HA LEU 18 4.644 3.235 -1.270
149 HB2 LEU 18 HB2 LEU 18 2.281 4.274 -0.850
150 HB3 LEU 18 HB3 LEU 18 2.629 3.959 0.850
151 HG LEU 18 HG LEU 18 4.896 5.164 0.352
152 HD11 LEU 18 HD11 LEU 18 4.954 6.640 -1.485
153 HD12 LEU 18 HD12 LEU 18 3.213 6.530 -1.745
154 HD13 LEU 18 HD13 LEU 18 4.254 5.172 -2.169
155 HD21 LEU 18 HD21 LEU 18 3.827 7.348 0.852
156 HD22 LEU 18 HD22 LEU 18 3.139 6.053 1.831
157 HD23 LEU 18 HD23 LEU 18 2.257 6.665 0.431
158 H ALA 19 HN ALA 19 3.046 1.370 1.258
159 HA ALA 19 HA ALA 19 4.919 1.715 3.381
160 HB1 ALA 19 HB1 ALA 19 3.816 -0.198 4.308
161 HB2 ALA 19 HB2 ALA 19 3.416 -0.829 2.709
162 HB3 ALA 19 HB3 ALA 19 2.596 0.608 3.322
163 H ALA 20 HN ALA 20 4.795 -0.751 0.782
164 HA ALA 20 HA ALA 20 7.203 -2.137 1.563
165 HB1 ALA 20 HB1 ALA 20 5.253 -2.828 0.008
166 HB2 ALA 20 HB2 ALA 20 6.879 -3.285 -0.498
167 HB3 ALA 20 HB3 ALA 20 6.083 -1.895 -1.238
168 H GLY 21 HN GLY 21 6.555 0.590 -0.641
169 HA2 GLY 21 HA2 GLY 21 9.159 0.785 -1.799
170 HA3 GLY 21 HA3 GLY 21 8.007 2.114 -1.675
171 H VAL 22 HN VAL 22 7.785 2.158 1.188
172 HA VAL 22 HA VAL 22 9.962 3.862 1.913
173 HB VAL 22 HB VAL 22 7.969 2.259 3.558
174 HG11 VAL 22 HG11 VAL 22 8.440 4.000 5.318
175 HG12 VAL 22 HG12 VAL 22 9.805 4.543 4.342
176 HG13 VAL 22 HG13 VAL 22 9.794 2.911 5.014
177 HG21 VAL 22 HG21 VAL 22 7.561 4.363 1.790
178 HG22 VAL 22 HG22 VAL 22 7.661 5.169 3.356
179 HG23 VAL 22 HG23 VAL 22 6.470 3.894 3.094
180 H GLY 23 HN GLY 23 9.349 0.413 2.665
181 HA2 GLY 23 HA2 GLY 23 11.689 -0.008 4.256
182 HA3 GLY 23 HA3 GLY 23 10.800 -1.275 3.411
183 H ILE 24 HN ILE 24 11.102 -0.346 0.753
184 HA ILE 24 HA ILE 24 13.725 -1.361 0.087
185 HB ILE 24 HB ILE 24 11.595 0.160 -1.463
186 HG12 ILE 24 HG12 ILE 24 12.282 -2.742 -1.811
187 HG13 ILE 24 HG13 ILE 24 11.304 -2.263 -0.423
188 HG21 ILE 24 HG21 ILE 24 14.183 -1.121 -2.352
189 HG22 ILE 24 HG22 ILE 24 13.565 0.485 -2.738
190 HG23 ILE 24 HG23 ILE 24 12.820 -0.943 -3.457
191 HD11 ILE 24 HD11 ILE 24 10.684 -1.852 -3.355
192 HD12 ILE 24 HD12 ILE 24 9.815 -1.008 -2.073
193 HD13 ILE 24 HD13 ILE 24 9.753 -2.768 -2.170
194 H TYR 25 HN TYR 25 12.394 1.942 0.421
195 HA TYR 25 HA TYR 25 14.623 3.363 -0.697
196 HB2 TYR 25 HB2 TYR 25 12.229 4.115 0.048
197 HB3 TYR 25 HB3 TYR 25 12.977 4.349 1.629
198 HD1 TYR 25 HD1 TYR 25 14.760 6.012 1.954
199 HD2 TYR 25 HD2 TYR 25 12.840 5.509 -1.855
200 HE1 TYR 25 HE1 TYR 25 15.705 8.174 1.193
201 HE2 TYR 25 HE2 TYR 25 13.785 7.672 -2.616
202 HH TYR 25 HH TYR 25 14.702 9.959 -0.968
203 H LEU 26 HN LEU 26 14.102 1.838 2.431
204 HA LEU 26 HA LEU 26 16.423 3.095 3.718
205 HB2 LEU 26 HB2 LEU 26 14.505 0.839 4.366
206 HB3 LEU 26 HB3 LEU 26 15.846 1.259 5.431
207 HG LEU 26 HG LEU 26 14.122 3.507 4.515
208 HD11 LEU 26 HD11 LEU 26 12.357 3.037 6.075
209 HD12 LEU 26 HD12 LEU 26 13.216 1.638 6.720
210 HD13 LEU 26 HD13 LEU 26 12.554 1.591 5.086
211 HD21 LEU 26 HD21 LEU 26 14.575 4.296 6.780
212 HD22 LEU 26 HD22 LEU 26 16.085 3.753 6.050
213 HD23 LEU 26 HD23 LEU 26 15.256 2.730 7.222
214 H LEU 27 HN LEU 27 15.832 0.411 1.602
215 HA LEU 27 HA LEU 27 18.664 -0.494 1.918
216 HB2 LEU 27 HB2 LEU 27 16.494 -1.794 2.967
217 HB3 LEU 27 HB3 LEU 27 16.587 -2.546 1.376
218 HG LEU 27 HG LEU 27 17.940 -3.886 2.831
219 HD11 LEU 27 HD11 LEU 27 19.920 -2.031 1.491
220 HD12 LEU 27 HD12 LEU 27 18.953 -3.204 0.598
221 HD13 LEU 27 HD13 LEU 27 20.104 -3.753 1.816
222 HD21 LEU 27 HD21 LEU 27 19.663 -2.951 4.291
223 HD22 LEU 27 HD22 LEU 27 18.116 -2.181 4.642
224 HD23 LEU 27 HD23 LEU 27 19.329 -1.329 3.688
225 HA PRO 28 HA PRO 28 17.203 -0.318 -2.538
226 HB2 PRO 28 HB2 PRO 28 17.736 2.262 -3.271
227 HB3 PRO 28 HB3 PRO 28 16.191 1.757 -2.562
228 HG2 PRO 28 HG2 PRO 28 18.302 3.385 -1.398
229 HG3 PRO 28 HG3 PRO 28 16.636 3.154 -0.863
230 HD2 PRO 28 HD2 PRO 28 19.055 1.913 0.147
231 HD3 PRO 28 HD3 PRO 28 17.413 1.849 0.801
232 H ASN 29 HN ASN 29 20.071 0.772 -0.907
233 HA ASN 29 HA ASN 29 21.824 1.111 -3.173
234 HB2 ASN 29 HB2 ASN 29 22.473 0.276 -0.326
235 HB3 ASN 29 HB3 ASN 29 23.551 1.095 -1.457
236 HD21 ASN 29 HD21 ASN 29 22.655 3.323 -2.264
237 HD22 ASN 29 HD22 ASN 29 21.838 4.269 -1.117
238 H ARG 30 HN ARG 30 21.013 -1.692 -1.121
239 HA ARG 30 HA ARG 30 22.554 -3.432 -3.026
240 HB2 ARG 30 HB2 ARG 30 22.172 -3.465 -0.029
241 HB3 ARG 30 HB3 ARG 30 22.673 -4.916 -0.897
242 HG2 ARG 30 HG2 ARG 30 24.555 -3.569 -1.902
243 HG3 ARG 30 HG3 ARG 30 24.110 -2.250 -0.819
244 HD2 ARG 30 HD2 ARG 30 25.021 -3.280 1.006
245 HD3 ARG 30 HD3 ARG 30 24.431 -4.878 0.511
246 HE ARG 30 HE ARG 30 26.293 -4.779 -1.264
247 HH11 ARG 30 HH11 ARG 30 27.412 -2.132 -0.744
248 HH12 ARG 30 HH12 ARG 30 28.693 -2.443 0.380
249 HH21 ARG 30 HH21 ARG 30 27.511 -5.593 1.254
250 HH22 ARG 30 HH22 ARG 30 28.748 -4.411 1.516
Start of MODEL 37
1 HA HIS 1 HA HIS 1 -20.836 12.810 9.661
2 HB2 HIS 1 HB2 HIS 1 -20.860 11.216 12.229
3 HB3 HIS 1 HB3 HIS 1 -19.509 11.101 11.102
4 HD1 HIS 1 HD1 HIS 1 -20.693 13.069 13.893
5 HD2 HIS 1 HD2 HIS 1 -18.406 13.854 10.496
6 HE1 HIS 1 HE1 HIS 1 -19.478 15.247 14.333
7 H SER 2 HN SER 2 -20.154 11.269 8.110
8 HA SER 2 HA SER 2 -21.859 8.804 7.888
9 HB2 SER 2 HB2 SER 2 -20.562 10.576 5.790
10 HB3 SER 2 HB3 SER 2 -21.462 9.106 5.433
11 HG SER 2 HG SER 2 -22.892 10.787 5.285
12 H VAL 3 HN VAL 3 -19.654 8.487 9.472
13 HA VAL 3 HA VAL 3 -17.534 7.311 7.707
14 HB VAL 3 HB VAL 3 -17.394 8.025 10.655
15 HG11 VAL 3 HG11 VAL 3 -15.626 6.529 9.957
16 HG12 VAL 3 HG12 VAL 3 -14.934 8.145 10.099
17 HG13 VAL 3 HG13 VAL 3 -15.321 7.488 8.509
18 HG21 VAL 3 HG21 VAL 3 -17.888 10.093 9.565
19 HG22 VAL 3 HG22 VAL 3 -16.858 9.697 8.188
20 HG23 VAL 3 HG23 VAL 3 -16.134 10.073 9.753
21 H SER 4 HN SER 4 -19.800 5.747 7.934
22 HA SER 4 HA SER 4 -19.464 3.848 10.169
23 HB2 SER 4 HB2 SER 4 -21.535 4.724 8.425
24 HB3 SER 4 HB3 SER 4 -21.318 2.998 8.145
25 HG SER 4 HG SER 4 -21.907 2.585 10.161
26 H HIS 5 HN HIS 5 -18.746 4.066 6.752
27 HA HIS 5 HA HIS 5 -17.457 1.360 6.887
28 HB2 HIS 5 HB2 HIS 5 -19.327 2.633 4.926
29 HB3 HIS 5 HB3 HIS 5 -18.096 1.539 4.296
30 HD1 HIS 5 HD1 HIS 5 -21.448 1.415 5.370
31 HD2 HIS 5 HD2 HIS 5 -18.130 -0.984 6.156
32 HE1 HIS 5 HE1 HIS 5 -22.347 -0.809 6.183
33 H ALA 6 HN ALA 6 -16.057 3.758 7.477
34 HA ALA 6 HA ALA 6 -14.576 4.501 5.006
35 HB1 ALA 6 HB1 ALA 6 -13.752 6.310 6.371
36 HB2 ALA 6 HB2 ALA 6 -14.260 5.499 7.852
37 HB3 ALA 6 HB3 ALA 6 -15.469 6.140 6.737
38 H ARG 7 HN ARG 7 -14.185 1.799 5.887
39 HA ARG 7 HA ARG 7 -11.696 1.662 7.445
40 HB2 ARG 7 HB2 ARG 7 -13.407 -0.342 5.941
41 HB3 ARG 7 HB3 ARG 7 -11.980 -0.795 6.874
42 HG2 ARG 7 HG2 ARG 7 -14.119 0.874 8.167
43 HG3 ARG 7 HG3 ARG 7 -14.355 -0.866 8.009
44 HD2 ARG 7 HD2 ARG 7 -11.678 -0.384 8.963
45 HD3 ARG 7 HD3 ARG 7 -12.832 0.485 9.994
46 HE ARG 7 HE ARG 7 -14.042 -1.653 10.316
47 HH11 ARG 7 HH21 ARG 7 -12.932 -3.062 7.882
48 HH12 ARG 7 HH22 ARG 7 -11.803 -4.165 8.596
49 HH21 ARG 7 HH11 ARG 7 -11.733 -2.515 11.657
50 HH22 ARG 7 HH12 ARG 7 -11.126 -3.857 10.746
51 HA PRO 8 HA PRO 8 -8.926 1.868 4.026
52 HB2 PRO 8 HB2 PRO 8 -6.879 0.294 4.940
53 HB3 PRO 8 HB3 PRO 8 -7.203 1.923 5.569
54 HG2 PRO 8 HG2 PRO 8 -7.900 -0.727 6.729
55 HG3 PRO 8 HG3 PRO 8 -7.352 0.750 7.536
56 HD2 PRO 8 HD2 PRO 8 -9.953 -0.062 7.488
57 HD3 PRO 8 HD3 PRO 8 -9.456 1.638 7.629
58 H ARG 9 HN ARG 9 -10.189 0.705 2.448
59 HA ARG 9 HA ARG 9 -9.173 -2.025 1.865
60 HB2 ARG 9 HB2 ARG 9 -11.464 -2.896 1.697
61 HB3 ARG 9 HB3 ARG 9 -11.205 -2.221 3.305
62 HG2 ARG 9 HG2 ARG 9 -12.136 -0.009 2.157
63 HG3 ARG 9 HG3 ARG 9 -12.878 -1.167 1.054
64 HD2 ARG 9 HD2 ARG 9 -13.864 -2.360 3.024
65 HD3 ARG 9 HD3 ARG 9 -13.211 -1.085 4.073
66 HE ARG 9 HE ARG 9 -14.524 0.504 2.459
67 HH11 ARG 9 HH11 ARG 9 -15.748 -1.859 0.989
68 HH12 ARG 9 HH12 ARG 9 -17.292 -1.984 1.764
69 HH21 ARG 9 HH21 ARG 9 -16.372 -0.011 4.481
70 HH22 ARG 9 HH22 ARG 9 -17.647 -0.932 3.751
71 H TRP 10 HN TRP 10 -9.629 -2.654 -0.373
72 HA TRP 10 HA TRP 10 -9.797 -2.268 -2.688
73 HB2 TRP 10 HB2 TRP 10 -11.825 -0.523 -1.386
74 HB3 TRP 10 HB3 TRP 10 -11.430 -0.127 -3.057
75 HD1 TRP 10 HD1 TRP 10 -12.361 -1.655 -4.911
76 HE1 TRP 10 HE1 TRP 10 -13.806 -3.791 -4.935
77 HE3 TRP 10 HE3 TRP 10 -12.311 -2.810 0.061
78 HZ2 TRP 10 HZ2 TRP 10 -14.808 -5.732 -3.086
79 HZ3 TRP 10 HZ3 TRP 10 -13.514 -4.804 0.904
80 HH2 TRP 10 HH2 TRP 10 -14.763 -6.265 -0.663
81 H PHE 11 HN PHE 11 -10.111 1.142 -1.677
82 HA PHE 11 HA PHE 11 -8.017 2.007 -3.495
83 HB2 PHE 11 HB2 PHE 11 -9.552 3.341 -1.243
84 HB3 PHE 11 HB3 PHE 11 -8.485 4.207 -2.347
85 HD1 PHE 11 HD2 PHE 11 -8.995 4.228 -4.813
86 HD2 PHE 11 HD1 PHE 11 -11.748 2.662 -1.910
87 HE1 PHE 11 HE2 PHE 11 -10.830 4.367 -6.477
88 HE2 PHE 11 HE1 PHE 11 -13.581 2.802 -3.574
89 HZ PHE 11 HZ PHE 11 -13.123 3.653 -5.857
90 H TRP 12 HN TRP 12 -7.861 0.626 -0.369
91 HA TRP 12 HA TRP 12 -5.628 2.143 0.691
92 HB2 TRP 12 HB2 TRP 12 -5.845 0.681 2.504
93 HB3 TRP 12 HB3 TRP 12 -7.464 0.645 1.818
94 HD1 TRP 12 HD1 TRP 12 -7.395 -1.384 -0.402
95 HE1 TRP 12 HE1 TRP 12 -6.773 -3.859 -0.030
96 HE3 TRP 12 HE3 TRP 12 -4.795 -0.994 3.978
97 HZ2 TRP 12 HZ2 TRP 12 -5.361 -5.458 1.870
98 HZ3 TRP 12 HZ3 TRP 12 -3.825 -3.010 5.046
99 HH2 TRP 12 HH2 TRP 12 -4.105 -5.239 3.998
100 H PHE 13 HN PHE 13 -5.780 -0.130 -1.815
101 HA PHE 13 HA PHE 13 -3.396 -1.653 -1.437
102 HB2 PHE 13 HB2 PHE 13 -5.432 -1.475 -3.282
103 HB3 PHE 13 HB3 PHE 13 -4.058 -0.847 -4.194
104 HD1 PHE 13 HD2 PHE 13 -1.773 -2.260 -3.703
105 HD2 PHE 13 HD1 PHE 13 -5.788 -3.766 -3.431
106 HE1 PHE 13 HE2 PHE 13 -0.931 -4.571 -4.025
107 HE2 PHE 13 HE1 PHE 13 -4.945 -6.075 -3.753
108 HZ PHE 13 HZ PHE 13 -2.515 -6.477 -4.050
109 H SER 14 HN SER 14 -3.947 1.524 -2.872
110 HA SER 14 HA SER 14 -1.295 1.994 -3.859
111 HB2 SER 14 HB2 SER 14 -3.544 3.786 -2.911
112 HB3 SER 14 HB3 SER 14 -2.071 4.419 -3.642
113 HG SER 14 HG SER 14 -4.217 3.487 -4.857
114 H LEU 15 HN LEU 15 -2.840 2.568 -0.746
115 HA LEU 15 HA LEU 15 -0.712 3.993 0.548
116 HB2 LEU 15 HB2 LEU 15 -3.079 3.810 1.312
117 HB3 LEU 15 HB3 LEU 15 -2.817 2.102 1.661
118 HG LEU 15 HG LEU 15 -0.763 3.743 2.902
119 HD11 LEU 15 HD11 LEU 15 -2.417 5.491 3.034
120 HD12 LEU 15 HD12 LEU 15 -2.338 4.727 4.622
121 HD13 LEU 15 HD13 LEU 15 -3.666 4.347 3.525
122 HD21 LEU 15 HD21 LEU 15 -2.899 1.838 3.911
123 HD22 LEU 15 HD22 LEU 15 -1.616 2.504 4.922
124 HD23 LEU 15 HD23 LEU 15 -1.213 1.450 3.567
125 H LEU 16 HN LEU 16 -1.491 0.511 0.338
126 HA LEU 16 HA LEU 16 0.657 -0.422 2.001
127 HB2 LEU 16 HB2 LEU 16 -1.531 -1.534 1.016
128 HB3 LEU 16 HB3 LEU 16 -0.466 -1.972 -0.319
129 HG LEU 16 HG LEU 16 0.548 -2.496 2.434
130 HD11 LEU 16 HD11 LEU 16 -0.753 -4.470 2.757
131 HD12 LEU 16 HD12 LEU 16 -1.433 -4.376 1.133
132 HD13 LEU 16 HD13 LEU 16 -1.914 -3.203 2.359
133 HD21 LEU 16 HD21 LEU 16 1.962 -3.110 0.599
134 HD22 LEU 16 HD22 LEU 16 0.625 -3.873 -0.263
135 HD23 LEU 16 HD23 LEU 16 1.270 -4.616 1.201
136 H LEU 17 HN LEU 17 0.414 0.264 -1.447
137 HA LEU 17 HA LEU 17 2.953 -0.815 -2.247
138 HB2 LEU 17 HB2 LEU 17 0.880 0.023 -3.605
139 HB3 LEU 17 HB3 LEU 17 1.644 1.608 -3.473
140 HG LEU 17 HG LEU 17 3.783 0.401 -4.334
141 HD11 LEU 17 HD11 LEU 17 3.152 -1.883 -4.207
142 HD12 LEU 17 HD12 LEU 17 3.066 -1.496 -5.926
143 HD13 LEU 17 HD13 LEU 17 1.589 -1.579 -4.965
144 HD21 LEU 17 HD21 LEU 17 1.405 0.757 -6.186
145 HD22 LEU 17 HD22 LEU 17 3.104 0.805 -6.654
146 HD23 LEU 17 HD23 LEU 17 2.441 2.066 -5.614
147 H LEU 18 HN LEU 18 1.944 2.268 -0.911
148 HA LEU 18 HA LEU 18 4.425 3.691 -1.261
149 HB2 LEU 18 HB2 LEU 18 2.041 4.538 -0.751
150 HB3 LEU 18 HB3 LEU 18 2.377 4.101 0.924
151 HG LEU 18 HG LEU 18 4.517 5.673 -0.357
152 HD11 LEU 18 HD11 LEU 18 1.824 6.953 0.210
153 HD12 LEU 18 HD12 LEU 18 2.507 6.704 -1.397
154 HD13 LEU 18 HD13 LEU 18 3.297 7.798 -0.264
155 HD21 LEU 18 HD21 LEU 18 2.950 6.275 2.156
156 HD22 LEU 18 HD22 LEU 18 4.628 6.678 1.790
157 HD23 LEU 18 HD23 LEU 18 4.174 5.005 2.118
158 H ALA 19 HN ALA 19 3.089 1.681 1.320
159 HA ALA 19 HA ALA 19 5.174 2.109 3.263
160 HB1 ALA 19 HB1 ALA 19 3.093 1.183 3.968
161 HB2 ALA 19 HB2 ALA 19 4.236 -0.155 4.086
162 HB3 ALA 19 HB3 ALA 19 3.132 -0.056 2.713
163 H ALA 20 HN ALA 20 4.732 -0.274 0.648
164 HA ALA 20 HA ALA 20 7.017 -1.915 1.226
165 HB1 ALA 20 HB1 ALA 20 5.414 -2.800 -0.249
166 HB2 ALA 20 HB2 ALA 20 6.709 -2.333 -1.351
167 HB3 ALA 20 HB3 ALA 20 5.292 -1.298 -1.166
168 H GLY 21 HN GLY 21 6.604 1.011 -0.783
169 HA2 GLY 21 HA2 GLY 21 9.255 1.034 -1.888
170 HA3 GLY 21 HA3 GLY 21 8.189 2.435 -1.769
171 H VAL 22 HN VAL 22 7.875 2.391 1.098
172 HA VAL 22 HA VAL 22 10.116 3.952 1.940
173 HB VAL 22 HB VAL 22 7.990 2.411 3.474
174 HG11 VAL 22 HG11 VAL 22 9.808 2.918 4.997
175 HG12 VAL 22 HG12 VAL 22 8.499 4.060 5.304
176 HG13 VAL 22 HG13 VAL 22 9.916 4.569 4.385
177 HG21 VAL 22 HG21 VAL 22 7.752 4.589 1.764
178 HG22 VAL 22 HG22 VAL 22 7.847 5.338 3.357
179 HG23 VAL 22 HG23 VAL 22 6.597 4.140 3.019
180 H GLY 23 HN GLY 23 9.309 0.511 2.516
181 HA2 GLY 23 HA2 GLY 23 11.578 -0.079 4.171
182 HA3 GLY 23 HA3 GLY 23 10.642 -1.271 3.267
183 H ILE 24 HN ILE 24 11.049 -0.307 0.648
184 HA ILE 24 HA ILE 24 13.653 -1.407 0.026
185 HB ILE 24 HB ILE 24 11.583 0.176 -1.543
186 HG12 ILE 24 HG12 ILE 24 10.854 -2.041 -0.730
187 HG13 ILE 24 HG13 ILE 24 11.029 -2.043 -2.483
188 HG21 ILE 24 HG21 ILE 24 12.819 -0.894 -3.542
189 HG22 ILE 24 HG22 ILE 24 14.163 -1.125 -2.423
190 HG23 ILE 24 HG23 ILE 24 13.579 0.501 -2.776
191 HD11 ILE 24 HD11 ILE 24 12.090 -4.044 -1.785
192 HD12 ILE 24 HD12 ILE 24 12.872 -3.252 -0.418
193 HD13 ILE 24 HD13 ILE 24 13.421 -2.921 -2.061
194 H TYR 25 HN TYR 25 12.401 1.927 0.351
195 HA TYR 25 HA TYR 25 14.692 3.293 -0.704
196 HB2 TYR 25 HB2 TYR 25 12.330 4.143 -0.060
197 HB3 TYR 25 HB3 TYR 25 12.971 4.271 1.580
198 HD1 TYR 25 HD2 TYR 25 13.217 5.543 -1.875
199 HD2 TYR 25 HD1 TYR 25 14.707 5.889 2.140
200 HE1 TYR 25 HE2 TYR 25 14.300 7.694 -2.462
201 HE2 TYR 25 HE1 TYR 25 15.791 8.039 1.551
202 HH TYR 25 HH TYR 25 16.614 9.012 -1.115
203 H LEU 26 HN LEU 26 14.092 1.704 2.369
204 HA LEU 26 HA LEU 26 16.369 2.923 3.759
205 HB2 LEU 26 HB2 LEU 26 14.442 0.640 4.252
206 HB3 LEU 26 HB3 LEU 26 15.781 0.964 5.353
207 HG LEU 26 HG LEU 26 14.057 3.273 4.566
208 HD11 LEU 26 HD11 LEU 26 12.528 1.306 5.112
209 HD12 LEU 26 HD12 LEU 26 12.329 2.731 6.131
210 HD13 LEU 26 HD13 LEU 26 13.220 1.332 6.734
211 HD21 LEU 26 HD21 LEU 26 14.551 3.939 6.880
212 HD22 LEU 26 HD22 LEU 26 16.043 3.510 6.044
213 HD23 LEU 26 HD23 LEU 26 15.313 2.378 7.183
214 H LEU 27 HN LEU 27 15.772 0.181 1.660
215 HA LEU 27 HA LEU 27 18.648 -0.621 1.901
216 HB2 LEU 27 HB2 LEU 27 16.742 -2.036 3.052
217 HB3 LEU 27 HB3 LEU 27 16.425 -2.590 1.407
218 HG LEU 27 HG LEU 27 19.071 -2.925 1.392
219 HD11 LEU 27 HD11 LEU 27 19.251 -1.964 3.718
220 HD12 LEU 27 HD12 LEU 27 19.945 -3.577 3.551
221 HD13 LEU 27 HD13 LEU 27 18.365 -3.370 4.306
222 HD21 LEU 27 HD21 LEU 27 17.087 -4.791 2.731
223 HD22 LEU 27 HD22 LEU 27 18.676 -5.275 2.143
224 HD23 LEU 27 HD23 LEU 27 17.450 -4.714 1.007
225 HA PRO 28 HA PRO 28 17.204 -0.315 -2.531
226 HB2 PRO 28 HB2 PRO 28 17.904 2.249 -3.195
227 HB3 PRO 28 HB3 PRO 28 16.321 1.812 -2.526
228 HG2 PRO 28 HG2 PRO 28 18.492 3.294 -1.283
229 HG3 PRO 28 HG3 PRO 28 16.808 3.133 -0.782
230 HD2 PRO 28 HD2 PRO 28 19.138 1.745 0.239
231 HD3 PRO 28 HD3 PRO 28 17.480 1.738 0.854
232 H ASN 29 HN ASN 29 20.137 0.663 -0.892
233 HA ASN 29 HA ASN 29 21.811 0.469 -3.325
234 HB2 ASN 29 HB2 ASN 29 21.979 2.058 -1.224
235 HB3 ASN 29 HB3 ASN 29 22.808 0.683 -0.494
236 HD21 ASN 29 HD21 ASN 29 22.914 2.765 -3.436
237 HD22 ASN 29 HD22 ASN 29 24.591 2.623 -3.654
238 H ARG 30 HN ARG 30 21.144 -1.364 -0.345
239 HA ARG 30 HA ARG 30 23.007 -3.523 -1.218
240 HB2 ARG 30 HB2 ARG 30 22.834 -2.385 1.140
241 HB3 ARG 30 HB3 ARG 30 21.426 -3.428 1.347
242 HG2 ARG 30 HG2 ARG 30 23.103 -5.289 0.455
243 HG3 ARG 30 HG3 ARG 30 24.313 -4.171 1.083
244 HD2 ARG 30 HD2 ARG 30 23.920 -5.010 3.152
245 HD3 ARG 30 HD3 ARG 30 22.280 -4.336 3.064
246 HE ARG 30 HE ARG 30 21.525 -6.463 2.076
247 HH11 ARG 30 HH21 ARG 30 23.970 -7.551 0.891
248 HH12 ARG 30 HH22 ARG 30 24.487 -8.738 2.043
249 HH21 ARG 30 HH11 ARG 30 22.519 -7.474 4.617
250 HH22 ARG 30 HH12 ARG 30 23.663 -8.692 4.161
Start of MODEL 38
1 HA HIS 1 HA HIS 1 0.994 19.811 2.400
2 HB2 HIS 1 HB2 HIS 1 0.831 17.897 4.638
3 HB3 HIS 1 HB3 HIS 1 0.085 17.311 3.151
4 HD1 HIS 1 HD1 HIS 1 1.677 17.500 0.940
5 HD2 HIS 1 HD2 HIS 1 3.601 17.746 4.631
6 HE1 HIS 1 HE1 HIS 1 4.133 17.076 0.498
7 H SER 2 HN SER 2 -0.678 19.190 0.895
8 HA SER 2 HA SER 2 -3.466 19.655 1.906
9 HB2 SER 2 HB2 SER 2 -2.184 20.125 -0.807
10 HB3 SER 2 HB3 SER 2 -3.865 20.473 -0.411
11 HG SER 2 HG SER 2 -2.691 22.344 -0.128
12 H VAL 3 HN VAL 3 -2.438 17.040 2.124
13 HA VAL 3 HA VAL 3 -3.563 15.569 -0.228
14 HB VAL 3 HB VAL 3 -1.869 14.571 2.090
15 HG11 VAL 3 HG11 VAL 3 -2.398 12.577 1.167
16 HG12 VAL 3 HG12 VAL 3 -1.376 13.053 -0.189
17 HG13 VAL 3 HG13 VAL 3 -3.115 13.339 -0.253
18 HG21 VAL 3 HG21 VAL 3 -0.428 16.108 1.063
19 HG22 VAL 3 HG22 VAL 3 -1.136 15.856 -0.532
20 HG23 VAL 3 HG23 VAL 3 -0.077 14.630 0.165
21 H SER 4 HN SER 4 -5.477 16.736 1.434
22 HA SER 4 HA SER 4 -6.365 14.789 3.453
23 HB2 SER 4 HB2 SER 4 -6.556 17.472 3.200
24 HB3 SER 4 HB3 SER 4 -8.104 17.005 2.501
25 HG SER 4 HG SER 4 -8.722 16.178 4.391
26 H HIS 5 HN HIS 5 -7.190 15.715 0.172
27 HA HIS 5 HA HIS 5 -9.226 13.510 0.095
28 HB2 HIS 5 HB2 HIS 5 -9.285 16.359 -0.643
29 HB3 HIS 5 HB3 HIS 5 -9.884 15.298 -1.917
30 HD1 HIS 5 HD1 HIS 5 -10.308 15.426 1.887
31 HD2 HIS 5 HD2 HIS 5 -12.577 14.875 -1.566
32 HE1 HIS 5 HE1 HIS 5 -12.697 15.075 2.649
33 H ALA 6 HN ALA 6 -6.233 13.626 -0.637
34 HA ALA 6 HA ALA 6 -6.468 12.934 -3.546
35 HB1 ALA 6 HB1 ALA 6 -4.135 13.580 -3.677
36 HB2 ALA 6 HB2 ALA 6 -4.010 13.661 -1.920
37 HB3 ALA 6 HB3 ALA 6 -4.985 14.845 -2.791
38 H ARG 7 HN ARG 7 -7.325 10.959 -1.819
39 HA ARG 7 HA ARG 7 -5.161 8.924 -2.072
40 HB2 ARG 7 HB2 ARG 7 -5.840 8.163 0.282
41 HB3 ARG 7 HB3 ARG 7 -4.940 9.675 0.193
42 HG2 ARG 7 HG2 ARG 7 -6.717 10.928 0.885
43 HG3 ARG 7 HG3 ARG 7 -7.885 9.947 0.002
44 HD2 ARG 7 HD2 ARG 7 -8.324 8.653 1.820
45 HD3 ARG 7 HD3 ARG 7 -6.604 8.495 2.222
46 HE ARG 7 HE ARG 7 -7.363 11.186 2.750
47 HH11 ARG 7 HH21 ARG 7 -6.037 9.273 4.703
48 HH12 ARG 7 HH22 ARG 7 -7.234 9.172 5.950
49 HH21 ARG 7 HH11 ARG 7 -9.769 10.517 3.985
50 HH22 ARG 7 HH12 ARG 7 -9.359 9.875 5.542
51 HA PRO 8 HA PRO 8 -8.736 6.802 -3.670
52 HB2 PRO 8 HB2 PRO 8 -7.498 4.411 -4.178
53 HB3 PRO 8 HB3 PRO 8 -7.320 5.838 -5.219
54 HG2 PRO 8 HG2 PRO 8 -5.465 4.755 -3.162
55 HG3 PRO 8 HG3 PRO 8 -5.108 5.494 -4.730
56 HD2 PRO 8 HD2 PRO 8 -4.864 6.803 -2.343
57 HD3 PRO 8 HD3 PRO 8 -5.178 7.618 -3.891
58 H ARG 9 HN ARG 9 -6.580 5.104 -1.350
59 HA ARG 9 HA ARG 9 -7.072 3.729 0.516
60 HB2 ARG 9 HB2 ARG 9 -8.649 5.993 0.565
61 HB3 ARG 9 HB3 ARG 9 -9.856 4.712 0.683
62 HG2 ARG 9 HG2 ARG 9 -8.015 3.759 2.420
63 HG3 ARG 9 HG3 ARG 9 -7.727 5.489 2.600
64 HD2 ARG 9 HD2 ARG 9 -9.455 5.338 4.114
65 HD3 ARG 9 HD3 ARG 9 -10.467 5.421 2.658
66 HE ARG 9 HE ARG 9 -9.514 2.784 3.714
67 HH11 ARG 9 HH11 ARG 9 -12.032 3.767 4.974
68 HH12 ARG 9 HH12 ARG 9 -13.253 3.098 3.944
69 HH21 ARG 9 HH21 ARG 9 -11.043 2.415 1.343
70 HH22 ARG 9 HH22 ARG 9 -12.690 2.330 1.876
71 H TRP 10 HN TRP 10 -7.916 2.853 -2.339
72 HA TRP 10 HA TRP 10 -10.323 1.240 -2.046
73 HB2 TRP 10 HB2 TRP 10 -9.285 1.933 -4.224
74 HB3 TRP 10 HB3 TRP 10 -7.884 0.928 -3.851
75 HD1 TRP 10 HD1 TRP 10 -7.977 -1.415 -4.811
76 HE1 TRP 10 HE1 TRP 10 -9.834 -3.025 -5.590
77 HE3 TRP 10 HE3 TRP 10 -12.104 1.359 -3.643
78 HZ2 TRP 10 HZ2 TRP 10 -12.690 -3.125 -5.702
79 HZ3 TRP 10 HZ3 TRP 10 -14.378 0.483 -4.095
80 HH2 TRP 10 HH2 TRP 10 -14.675 -1.753 -5.122
81 H PHE 11 HN PHE 11 -10.006 0.228 0.032
82 HA PHE 11 HA PHE 11 -9.201 -1.417 1.527
83 HB2 PHE 11 HB2 PHE 11 -8.174 -2.493 -1.134
84 HB3 PHE 11 HB3 PHE 11 -8.108 -3.396 0.377
85 HD1 PHE 11 HD2 PHE 11 -10.195 -4.112 1.514
86 HD2 PHE 11 HD1 PHE 11 -10.259 -2.170 -2.318
87 HE1 PHE 11 HE2 PHE 11 -12.538 -4.851 1.179
88 HE2 PHE 11 HE1 PHE 11 -12.602 -2.910 -2.652
89 HZ PHE 11 HZ PHE 11 -13.742 -4.250 -0.904
90 H TRP 12 HN TRP 12 -7.733 1.052 0.729
91 HA TRP 12 HA TRP 12 -5.641 2.100 0.924
92 HB2 TRP 12 HB2 TRP 12 -5.910 -0.001 3.001
93 HB3 TRP 12 HB3 TRP 12 -4.309 0.697 2.795
94 HD1 TRP 12 HD1 TRP 12 -4.598 3.605 2.448
95 HE1 TRP 12 HE1 TRP 12 -5.789 5.152 4.130
96 HE3 TRP 12 HE3 TRP 12 -7.529 0.192 4.870
97 HZ2 TRP 12 HZ2 TRP 12 -7.730 4.971 6.220
98 HZ3 TRP 12 HZ3 TRP 12 -9.038 0.908 6.700
99 HH2 TRP 12 HH2 TRP 12 -9.143 3.290 7.378
100 H PHE 13 HN PHE 13 -5.873 0.190 -1.226
101 HA PHE 13 HA PHE 13 -3.605 -1.570 -1.392
102 HB2 PHE 13 HB2 PHE 13 -5.461 -1.943 -2.835
103 HB3 PHE 13 HB3 PHE 13 -5.510 -0.254 -3.334
104 HD1 PHE 13 HD1 PHE 13 -3.233 -3.239 -3.403
105 HD2 PHE 13 HD2 PHE 13 -4.496 0.380 -5.343
106 HE1 PHE 13 HE1 PHE 13 -1.757 -3.754 -5.327
107 HE2 PHE 13 HE2 PHE 13 -3.020 -0.137 -7.268
108 HZ PHE 13 HZ PHE 13 -1.649 -2.203 -7.259
109 H SER 14 HN SER 14 -4.188 1.686 -2.688
110 HA SER 14 HA SER 14 -1.600 2.097 -3.837
111 HB2 SER 14 HB2 SER 14 -3.920 3.408 -3.907
112 HB3 SER 14 HB3 SER 14 -3.170 4.335 -2.611
113 HG SER 14 HG SER 14 -2.172 5.339 -4.158
114 H LEU 15 HN LEU 15 -2.865 2.567 -0.595
115 HA LEU 15 HA LEU 15 -0.615 3.986 0.527
116 HB2 LEU 15 HB2 LEU 15 -2.966 3.788 1.440
117 HB3 LEU 15 HB3 LEU 15 -2.609 2.113 1.853
118 HG LEU 15 HG LEU 15 -0.513 3.869 2.824
119 HD11 LEU 15 HD11 LEU 15 -2.678 5.354 2.816
120 HD12 LEU 15 HD12 LEU 15 -1.676 5.297 4.266
121 HD13 LEU 15 HD13 LEU 15 -3.156 4.342 4.179
122 HD21 LEU 15 HD21 LEU 15 -2.531 2.108 4.257
123 HD22 LEU 15 HD22 LEU 15 -1.007 2.696 4.922
124 HD23 LEU 15 HD23 LEU 15 -0.999 1.548 3.584
125 H LEU 16 HN LEU 16 -1.484 0.527 0.320
126 HA LEU 16 HA LEU 16 0.721 -0.511 1.825
127 HB2 LEU 16 HB2 LEU 16 -1.491 -1.591 0.984
128 HB3 LEU 16 HB3 LEU 16 -0.614 -1.869 -0.519
129 HG LEU 16 HG LEU 16 0.939 -2.664 1.830
130 HD11 LEU 16 HD11 LEU 16 -1.671 -4.106 1.264
131 HD12 LEU 16 HD12 LEU 16 -1.322 -3.161 2.712
132 HD13 LEU 16 HD13 LEU 16 -0.418 -4.640 2.386
133 HD21 LEU 16 HD21 LEU 16 1.257 -3.215 -0.666
134 HD22 LEU 16 HD22 LEU 16 -0.063 -4.365 -0.462
135 HD23 LEU 16 HD23 LEU 16 1.423 -4.556 0.467
136 H LEU 17 HN LEU 17 0.303 0.136 -1.623
137 HA LEU 17 HA LEU 17 2.815 -0.867 -2.546
138 HB2 LEU 17 HB2 LEU 17 0.625 -0.005 -3.745
139 HB3 LEU 17 HB3 LEU 17 1.462 1.547 -3.724
140 HG LEU 17 HG LEU 17 3.101 -0.746 -4.624
141 HD11 LEU 17 HD11 LEU 17 2.065 -1.069 -6.716
142 HD12 LEU 17 HD12 LEU 17 1.071 0.377 -6.549
143 HD13 LEU 17 HD13 LEU 17 0.710 -1.057 -5.588
144 HD21 LEU 17 HD21 LEU 17 4.148 0.892 -5.882
145 HD22 LEU 17 HD22 LEU 17 3.462 1.902 -4.611
146 HD23 LEU 17 HD23 LEU 17 2.650 1.775 -6.171
147 H LEU 18 HN LEU 18 1.847 2.176 -1.113
148 HA LEU 18 HA LEU 18 4.302 3.626 -1.596
149 HB2 LEU 18 HB2 LEU 18 1.779 4.249 -0.837
150 HB3 LEU 18 HB3 LEU 18 2.556 4.236 0.743
151 HG LEU 18 HG LEU 18 2.611 6.492 -0.246
152 HD11 LEU 18 HD11 LEU 18 5.426 5.446 -0.437
153 HD12 LEU 18 HD12 LEU 18 4.575 5.435 1.108
154 HD13 LEU 18 HD13 LEU 18 4.850 6.959 0.263
155 HD21 LEU 18 HD21 LEU 18 2.671 5.536 -2.640
156 HD22 LEU 18 HD22 LEU 18 4.412 5.378 -2.403
157 HD23 LEU 18 HD23 LEU 18 3.653 6.967 -2.326
158 H ALA 19 HN ALA 19 3.051 1.650 1.052
159 HA ALA 19 HA ALA 19 5.154 2.120 2.953
160 HB1 ALA 19 HB1 ALA 19 4.139 0.313 4.112
161 HB2 ALA 19 HB2 ALA 19 3.620 -0.463 2.616
162 HB3 ALA 19 HB3 ALA 19 2.816 1.005 3.172
163 H ALA 20 HN ALA 20 4.765 -0.272 0.335
164 HA ALA 20 HA ALA 20 7.095 -1.851 0.897
165 HB1 ALA 20 HB1 ALA 20 5.307 -1.283 -1.450
166 HB2 ALA 20 HB2 ALA 20 5.576 -2.805 -0.598
167 HB3 ALA 20 HB3 ALA 20 6.792 -2.195 -1.721
168 H GLY 21 HN GLY 21 6.594 1.039 -1.148
169 HA2 GLY 21 HA2 GLY 21 9.237 1.177 -2.233
170 HA3 GLY 21 HA3 GLY 21 8.133 2.545 -2.085
171 H VAL 22 HN VAL 22 7.828 2.467 0.770
172 HA VAL 22 HA VAL 22 10.070 4.036 1.624
173 HB VAL 22 HB VAL 22 7.937 2.511 3.167
174 HG11 VAL 22 HG11 VAL 22 9.805 4.744 4.021
175 HG12 VAL 22 HG12 VAL 22 9.753 3.105 4.671
176 HG13 VAL 22 HG13 VAL 22 8.408 4.208 4.955
177 HG21 VAL 22 HG21 VAL 22 7.738 5.429 2.965
178 HG22 VAL 22 HG22 VAL 22 6.514 4.198 2.652
179 HG23 VAL 22 HG23 VAL 22 7.667 4.634 1.392
180 H GLY 23 HN GLY 23 9.220 0.606 2.206
181 HA2 GLY 23 HA2 GLY 23 11.424 -0.017 3.917
182 HA3 GLY 23 HA3 GLY 23 10.525 -1.193 2.958
183 H ILE 24 HN ILE 24 11.070 -0.156 0.367
184 HA ILE 24 HA ILE 24 13.662 -1.316 -0.163
185 HB ILE 24 HB ILE 24 11.795 0.454 -1.793
186 HG12 ILE 24 HG12 ILE 24 12.207 -2.490 -2.217
187 HG13 ILE 24 HG13 ILE 24 11.181 -1.964 -0.883
188 HG21 ILE 24 HG21 ILE 24 13.969 0.582 -2.816
189 HG22 ILE 24 HG22 ILE 24 13.035 -0.585 -3.751
190 HG23 ILE 24 HG23 ILE 24 14.242 -1.146 -2.594
191 HD11 ILE 24 HD11 ILE 24 10.844 -1.226 -3.804
192 HD12 ILE 24 HD12 ILE 24 9.864 -0.580 -2.488
193 HD13 ILE 24 HD13 ILE 24 9.804 -2.300 -2.869
194 H TYR 25 HN TYR 25 12.526 2.061 0.189
195 HA TYR 25 HA TYR 25 14.955 3.345 -0.642
196 HB2 TYR 25 HB2 TYR 25 12.556 4.254 -0.146
197 HB3 TYR 25 HB3 TYR 25 13.126 4.387 1.519
198 HD1 TYR 25 HD2 TYR 25 14.960 5.908 2.113
199 HD2 TYR 25 HD1 TYR 25 13.499 5.642 -1.917
200 HE1 TYR 25 HE2 TYR 25 16.142 8.013 1.546
201 HE2 TYR 25 HE1 TYR 25 14.681 7.746 -2.485
202 HH TYR 25 HH TYR 25 17.054 8.965 -1.043
203 H LEU 26 HN LEU 26 14.013 1.748 2.344
204 HA LEU 26 HA LEU 26 16.226 2.834 3.936
205 HB2 LEU 26 HB2 LEU 26 14.179 0.619 4.268
206 HB3 LEU 26 HB3 LEU 26 15.385 0.987 5.502
207 HG LEU 26 HG LEU 26 13.756 3.249 4.414
208 HD11 LEU 26 HD11 LEU 26 12.749 1.335 6.540
209 HD12 LEU 26 HD12 LEU 26 12.135 1.402 4.890
210 HD13 LEU 26 HD13 LEU 26 11.935 2.788 5.961
211 HD21 LEU 26 HD21 LEU 26 14.064 4.098 6.675
212 HD22 LEU 26 HD22 LEU 26 15.623 3.539 6.068
213 HD23 LEU 26 HD23 LEU 26 14.713 2.546 7.208
214 H LEU 27 HN LEU 27 15.778 0.282 1.632
215 HA LEU 27 HA LEU 27 18.524 -0.749 2.204
216 HB2 LEU 27 HB2 LEU 27 16.437 -2.057 3.147
217 HB3 LEU 27 HB3 LEU 27 16.245 -2.577 1.472
218 HG LEU 27 HG LEU 27 19.020 -2.804 2.255
219 HD11 LEU 27 HD11 LEU 27 16.985 -4.196 4.022
220 HD12 LEU 27 HD12 LEU 27 18.220 -3.047 4.538
221 HD13 LEU 27 HD13 LEU 27 18.691 -4.636 3.936
222 HD21 LEU 27 HD21 LEU 27 18.136 -4.062 0.415
223 HD22 LEU 27 HD22 LEU 27 16.839 -4.727 1.407
224 HD23 LEU 27 HD23 LEU 27 18.506 -5.236 1.678
225 HA PRO 28 HA PRO 28 17.508 -0.340 -2.345
226 HB2 PRO 28 HB2 PRO 28 18.345 2.206 -2.915
227 HB3 PRO 28 HB3 PRO 28 16.695 1.812 -2.403
228 HG2 PRO 28 HG2 PRO 28 18.781 3.220 -0.947
229 HG3 PRO 28 HG3 PRO 28 17.054 3.102 -0.605
230 HD2 PRO 28 HD2 PRO 28 19.242 1.638 0.610
231 HD3 PRO 28 HD3 PRO 28 17.535 1.678 1.072
232 H ASN 29 HN ASN 29 20.315 0.554 -0.448
233 HA ASN 29 HA ASN 29 22.182 0.316 -2.729
234 HB2 ASN 29 HB2 ASN 29 23.833 0.966 -1.046
235 HB3 ASN 29 HB3 ASN 29 22.415 2.003 -0.900
236 HD21 ASN 29 HD21 ASN 29 24.354 -0.401 0.747
237 HD22 ASN 29 HD22 ASN 29 23.456 -0.423 2.187
238 H ARG 30 HN ARG 30 20.828 -1.729 -0.268
239 HA ARG 30 HA ARG 30 21.451 -3.847 0.587
240 HB2 ARG 30 HB2 ARG 30 21.500 -5.456 -1.318
241 HB3 ARG 30 HB3 ARG 30 20.231 -4.249 -1.489
242 HG2 ARG 30 HG2 ARG 30 21.315 -3.158 -3.235
243 HG3 ARG 30 HG3 ARG 30 22.909 -3.711 -2.726
244 HD2 ARG 30 HD2 ARG 30 20.955 -5.814 -3.561
245 HD3 ARG 30 HD3 ARG 30 21.679 -4.812 -4.834
246 HE ARG 30 HE ARG 30 23.109 -6.745 -3.175
247 HH11 ARG 30 HH21 ARG 30 23.752 -6.083 -6.049
248 HH12 ARG 30 HH22 ARG 30 25.241 -5.215 -5.888
249 HH21 ARG 30 HH11 ARG 30 24.838 -4.635 -2.482
250 HH22 ARG 30 HH12 ARG 30 25.861 -4.394 -3.861
Start of MODEL 39
1 HA HIS 1 HA HIS 1 -13.503 -8.428 17.942
2 HB2 HIS 1 HB2 HIS 1 -13.259 -11.355 18.155
3 HB3 HIS 1 HB3 HIS 1 -12.073 -10.631 17.070
4 HD1 HIS 1 HD1 HIS 1 -10.714 -8.513 18.149
5 HD2 HIS 1 HD2 HIS 1 -12.626 -11.062 20.837
6 HE1 HIS 1 HE1 HIS 1 -9.686 -8.062 20.418
7 H SER 2 HN SER 2 -12.505 -7.750 15.971
8 HA SER 2 HA SER 2 -13.897 -8.684 13.487
9 HB2 SER 2 HB2 SER 2 -13.880 -6.230 14.503
10 HB3 SER 2 HB3 SER 2 -12.313 -6.144 13.702
11 HG SER 2 HG SER 2 -13.838 -5.508 12.226
12 H VAL 3 HN VAL 3 -11.840 -10.341 14.306
13 HA VAL 3 HA VAL 3 -9.513 -9.563 12.573
14 HB VAL 3 HB VAL 3 -9.584 -11.624 14.801
15 HG11 VAL 3 HG11 VAL 3 -7.090 -10.905 14.812
16 HG12 VAL 3 HG12 VAL 3 -7.434 -10.200 13.232
17 HG13 VAL 3 HG13 VAL 3 -7.644 -11.932 13.491
18 HG21 VAL 3 HG21 VAL 3 -8.459 -9.764 16.154
19 HG22 VAL 3 HG22 VAL 3 -10.191 -9.572 15.883
20 HG23 VAL 3 HG23 VAL 3 -9.041 -8.644 14.921
21 H SER 4 HN SER 4 -12.095 -10.880 11.726
22 HA SER 4 HA SER 4 -11.048 -13.547 10.864
23 HB2 SER 4 HB2 SER 4 -13.775 -12.419 11.449
24 HB3 SER 4 HB3 SER 4 -13.607 -13.856 10.445
25 HG SER 4 HG SER 4 -13.482 -14.857 12.290
26 H HIS 5 HN HIS 5 -13.659 -11.598 9.503
27 HA HIS 5 HA HIS 5 -12.240 -11.651 6.861
28 HB2 HIS 5 HB2 HIS 5 -15.104 -11.856 7.763
29 HB3 HIS 5 HB3 HIS 5 -14.744 -11.303 6.130
30 HD1 HIS 5 HD1 HIS 5 -12.567 -13.037 5.149
31 HD2 HIS 5 HD2 HIS 5 -15.571 -14.565 7.604
32 HE1 HIS 5 HE1 HIS 5 -12.603 -15.541 4.765
33 H ALA 6 HN ALA 6 -11.775 -9.560 8.856
34 HA ALA 6 HA ALA 6 -13.088 -7.205 7.536
35 HB1 ALA 6 HB1 ALA 6 -13.643 -7.511 9.907
36 HB2 ALA 6 HB2 ALA 6 -12.615 -6.090 9.728
37 HB3 ALA 6 HB3 ALA 6 -11.931 -7.605 10.317
38 H ARG 7 HN ARG 7 -10.857 -8.363 6.276
39 HA ARG 7 HA ARG 7 -8.365 -7.095 7.111
40 HB2 ARG 7 HB2 ARG 7 -9.239 -9.170 5.414
41 HB3 ARG 7 HB3 ARG 7 -8.487 -7.987 4.347
42 HG2 ARG 7 HG2 ARG 7 -6.462 -8.714 4.996
43 HG3 ARG 7 HG3 ARG 7 -6.825 -8.207 6.645
44 HD2 ARG 7 HD2 ARG 7 -8.024 -10.790 5.726
45 HD3 ARG 7 HD3 ARG 7 -6.284 -10.771 6.075
46 HE ARG 7 HE ARG 7 -8.005 -9.477 8.098
47 HH11 ARG 7 HH21 ARG 7 -5.206 -10.608 8.517
48 HH12 ARG 7 HH22 ARG 7 -5.552 -12.034 9.436
49 HH21 ARG 7 HH11 ARG 7 -8.940 -12.031 8.644
50 HH22 ARG 7 HH12 ARG 7 -7.679 -12.843 9.513
51 HA PRO 8 HA PRO 8 -9.581 -3.281 5.047
52 HB2 PRO 8 HB2 PRO 8 -7.504 -1.777 6.006
53 HB3 PRO 8 HB3 PRO 8 -8.952 -2.147 6.962
54 HG2 PRO 8 HG2 PRO 8 -6.246 -3.363 7.078
55 HG3 PRO 8 HG3 PRO 8 -7.393 -3.029 8.384
56 HD2 PRO 8 HD2 PRO 8 -6.978 -5.511 7.276
57 HD3 PRO 8 HD3 PRO 8 -8.463 -5.019 8.118
58 H ARG 9 HN ARG 9 -8.995 -4.341 2.967
59 HA ARG 9 HA ARG 9 -6.323 -3.433 1.961
60 HB2 ARG 9 HB2 ARG 9 -7.295 -6.086 2.408
61 HB3 ARG 9 HB3 ARG 9 -7.183 -5.850 0.664
62 HG2 ARG 9 HG2 ARG 9 -4.858 -5.143 0.865
63 HG3 ARG 9 HG3 ARG 9 -4.953 -5.235 2.625
64 HD2 ARG 9 HD2 ARG 9 -5.564 -7.705 2.336
65 HD3 ARG 9 HD3 ARG 9 -5.074 -7.523 0.640
66 HE ARG 9 HE ARG 9 -2.832 -6.773 1.491
67 HH11 ARG 9 HH11 ARG 9 -3.357 -9.666 2.281
68 HH12 ARG 9 HH12 ARG 9 -2.857 -9.663 3.938
69 HH21 ARG 9 HH21 ARG 9 -2.894 -6.197 4.214
70 HH22 ARG 9 HH22 ARG 9 -2.597 -7.691 5.039
71 H TRP 10 HN TRP 10 -6.705 -4.341 -0.688
72 HA TRP 10 HA TRP 10 -7.715 -3.767 -2.731
73 HB2 TRP 10 HB2 TRP 10 -10.114 -3.513 -0.883
74 HB3 TRP 10 HB3 TRP 10 -10.210 -3.495 -2.640
75 HD1 TRP 10 HD1 TRP 10 -9.270 -5.753 -3.906
76 HE1 TRP 10 HE1 TRP 10 -9.402 -8.214 -3.152
77 HE3 TRP 10 HE3 TRP 10 -10.167 -5.102 1.081
78 HZ2 TRP 10 HZ2 TRP 10 -9.831 -9.709 -0.751
79 HZ3 TRP 10 HZ3 TRP 10 -10.433 -7.061 2.576
80 HH2 TRP 10 HH2 TRP 10 -10.266 -9.362 1.666
81 H PHE 11 HN PHE 11 -9.534 -1.597 -0.533
82 HA PHE 11 HA PHE 11 -9.085 0.730 -2.199
83 HB2 PHE 11 HB2 PHE 11 -11.040 0.366 -0.714
84 HB3 PHE 11 HB3 PHE 11 -9.978 0.432 0.692
85 HD1 PHE 11 HD2 PHE 11 -11.206 2.411 -2.224
86 HD2 PHE 11 HD1 PHE 11 -9.312 2.509 1.631
87 HE1 PHE 11 HE2 PHE 11 -11.395 4.883 -2.193
88 HE2 PHE 11 HE1 PHE 11 -9.501 4.980 1.661
89 HZ PHE 11 HZ PHE 11 -10.542 6.169 -0.250
90 H TRP 12 HN TRP 12 -7.296 -0.766 0.423
91 HA TRP 12 HA TRP 12 -5.630 1.667 0.833
92 HB2 TRP 12 HB2 TRP 12 -5.698 -1.048 2.190
93 HB3 TRP 12 HB3 TRP 12 -4.756 0.341 2.728
94 HD1 TRP 12 HD1 TRP 12 -7.989 -1.272 3.241
95 HE1 TRP 12 HE1 TRP 12 -9.638 0.301 4.438
96 HE3 TRP 12 HE3 TRP 12 -5.500 3.158 2.740
97 HZ2 TRP 12 HZ2 TRP 12 -9.873 3.076 5.099
98 HZ3 TRP 12 HZ3 TRP 12 -6.458 5.249 3.660
99 HH2 TRP 12 HH2 TRP 12 -8.640 5.214 4.838
100 H PHE 13 HN PHE 13 -5.566 -0.393 -1.576
101 HA PHE 13 HA PHE 13 -3.060 -1.761 -1.495
102 HB2 PHE 13 HB2 PHE 13 -5.111 -1.796 -3.159
103 HB3 PHE 13 HB3 PHE 13 -4.179 -0.564 -4.010
104 HD1 PHE 13 HD1 PHE 13 -3.887 -3.996 -2.546
105 HD2 PHE 13 HD2 PHE 13 -2.424 -1.180 -5.439
106 HE1 PHE 13 HE1 PHE 13 -2.450 -5.760 -3.535
107 HE2 PHE 13 HE2 PHE 13 -0.988 -2.943 -6.430
108 HZ PHE 13 HZ PHE 13 -1.001 -5.233 -5.478
109 H SER 14 HN SER 14 -3.910 1.456 -2.730
110 HA SER 14 HA SER 14 -1.317 2.241 -3.629
111 HB2 SER 14 HB2 SER 14 -3.756 3.301 -3.784
112 HB3 SER 14 HB3 SER 14 -3.215 4.189 -2.362
113 HG SER 14 HG SER 14 -2.758 5.190 -4.446
114 H LEU 15 HN LEU 15 -2.849 2.344 -0.462
115 HA LEU 15 HA LEU 15 -0.823 3.870 0.918
116 HB2 LEU 15 HB2 LEU 15 -3.179 3.402 1.676
117 HB3 LEU 15 HB3 LEU 15 -2.724 1.720 1.935
118 HG LEU 15 HG LEU 15 -0.848 3.540 3.221
119 HD11 LEU 15 HD11 LEU 15 -3.789 3.728 3.916
120 HD12 LEU 15 HD12 LEU 15 -2.694 5.050 3.508
121 HD13 LEU 15 HD13 LEU 15 -2.506 4.188 5.035
122 HD21 LEU 15 HD21 LEU 15 -2.716 1.394 4.285
123 HD22 LEU 15 HD22 LEU 15 -1.327 2.071 5.139
124 HD23 LEU 15 HD23 LEU 15 -1.083 1.112 3.679
125 H LEU 16 HN LEU 16 -1.407 0.347 0.576
126 HA LEU 16 HA LEU 16 0.951 -0.498 1.998
127 HB2 LEU 16 HB2 LEU 16 -1.275 -1.705 1.111
128 HB3 LEU 16 HB3 LEU 16 -0.222 -2.093 -0.248
129 HG LEU 16 HG LEU 16 0.815 -2.547 2.526
130 HD11 LEU 16 HD11 LEU 16 -1.134 -4.357 1.068
131 HD12 LEU 16 HD12 LEU 16 -1.396 -3.568 2.624
132 HD13 LEU 16 HD13 LEU 16 -0.183 -4.839 2.472
133 HD21 LEU 16 HD21 LEU 16 1.158 -3.792 -0.210
134 HD22 LEU 16 HD22 LEU 16 1.792 -4.550 1.251
135 HD23 LEU 16 HD23 LEU 16 2.370 -2.958 0.763
136 H LEU 17 HN LEU 17 0.265 0.249 -1.361
137 HA LEU 17 HA LEU 17 2.719 -0.595 -2.556
138 HB2 LEU 17 HB2 LEU 17 0.381 1.096 -3.155
139 HB3 LEU 17 HB3 LEU 17 1.837 1.598 -4.003
140 HG LEU 17 HG LEU 17 0.434 -0.082 -5.258
141 HD11 LEU 17 HD11 LEU 17 3.196 -1.045 -4.466
142 HD12 LEU 17 HD12 LEU 17 2.869 0.207 -5.666
143 HD13 LEU 17 HD13 LEU 17 2.333 -1.448 -5.950
144 HD21 LEU 17 HD21 LEU 17 1.273 -1.819 -2.920
145 HD22 LEU 17 HD22 LEU 17 0.712 -2.479 -4.455
146 HD23 LEU 17 HD23 LEU 17 -0.365 -1.484 -3.477
147 H LEU 18 HN LEU 18 1.780 2.313 -0.841
148 HA LEU 18 HA LEU 18 4.170 3.852 -1.432
149 HB2 LEU 18 HB2 LEU 18 1.797 4.605 -0.703
150 HB3 LEU 18 HB3 LEU 18 2.314 4.183 0.929
151 HG LEU 18 HG LEU 18 4.367 5.675 0.477
152 HD11 LEU 18 HD11 LEU 18 3.818 7.510 -1.202
153 HD12 LEU 18 HD12 LEU 18 2.536 6.459 -1.805
154 HD13 LEU 18 HD13 LEU 18 4.220 5.942 -1.902
155 HD21 LEU 18 HD21 LEU 18 3.066 7.732 1.032
156 HD22 LEU 18 HD22 LEU 18 2.564 6.341 1.993
157 HD23 LEU 18 HD23 LEU 18 1.581 6.872 0.627
158 H ALA 19 HN ALA 19 3.080 1.797 1.226
159 HA ALA 19 HA ALA 19 5.288 2.241 3.014
160 HB1 ALA 19 HB1 ALA 19 3.700 -0.318 2.707
161 HB2 ALA 19 HB2 ALA 19 2.978 1.144 3.381
162 HB3 ALA 19 HB3 ALA 19 4.352 0.386 4.187
163 H ALA 20 HN ALA 20 4.761 -0.081 0.361
164 HA ALA 20 HA ALA 20 7.090 -1.703 0.776
165 HB1 ALA 20 HB1 ALA 20 5.801 -0.998 -1.873
166 HB2 ALA 20 HB2 ALA 20 5.021 -2.064 -0.704
167 HB3 ALA 20 HB3 ALA 20 6.570 -2.518 -1.416
168 H GLY 21 HN GLY 21 6.569 1.287 -1.111
169 HA2 GLY 21 HA2 GLY 21 9.189 1.376 -2.292
170 HA3 GLY 21 HA3 GLY 21 8.100 2.754 -2.121
171 H VAL 22 HN VAL 22 7.836 2.786 0.697
172 HA VAL 22 HA VAL 22 10.154 4.265 1.503
173 HB VAL 22 HB VAL 22 7.895 2.926 3.035
174 HG11 VAL 22 HG11 VAL 22 9.898 5.004 3.977
175 HG12 VAL 22 HG12 VAL 22 9.798 3.336 4.542
176 HG13 VAL 22 HG13 VAL 22 8.487 4.464 4.886
177 HG21 VAL 22 HG21 VAL 22 8.325 5.842 2.319
178 HG22 VAL 22 HG22 VAL 22 6.872 5.114 3.005
179 HG23 VAL 22 HG23 VAL 22 7.350 4.740 1.350
180 H GLY 23 HN GLY 23 9.178 0.878 2.099
181 HA2 GLY 23 HA2 GLY 23 11.320 0.212 3.884
182 HA3 GLY 23 HA3 GLY 23 10.396 -0.948 2.931
183 H ILE 24 HN ILE 24 11.003 -0.095 0.332
184 HA ILE 24 HA ILE 24 13.581 -1.297 -0.112
185 HB ILE 24 HB ILE 24 11.645 0.335 -1.784
186 HG12 ILE 24 HG12 ILE 24 12.471 -2.566 -2.044
187 HG13 ILE 24 HG13 ILE 24 11.154 -2.056 -0.988
188 HG21 ILE 24 HG21 ILE 24 14.290 -0.905 -2.590
189 HG22 ILE 24 HG22 ILE 24 13.776 0.769 -2.805
190 HG23 ILE 24 HG23 ILE 24 13.024 -0.514 -3.753
191 HD11 ILE 24 HD11 ILE 24 9.790 -1.437 -2.756
192 HD12 ILE 24 HD12 ILE 24 10.684 -2.758 -3.511
193 HD13 ILE 24 HD13 ILE 24 11.152 -1.085 -3.821
194 H TYR 25 HN TYR 25 12.520 2.109 0.146
195 HA TYR 25 HA TYR 25 14.980 3.311 -0.733
196 HB2 TYR 25 HB2 TYR 25 12.661 4.352 -0.338
197 HB3 TYR 25 HB3 TYR 25 13.099 4.405 1.371
198 HD1 TYR 25 HD1 TYR 25 13.909 5.684 -2.000
199 HD2 TYR 25 HD2 TYR 25 14.838 5.890 2.189
200 HE1 TYR 25 HE1 TYR 25 15.225 7.749 -2.393
201 HE2 TYR 25 HE2 TYR 25 16.151 7.957 1.796
202 HH TYR 25 HH TYR 25 17.421 8.880 -0.677
203 H LEU 26 HN LEU 26 13.998 1.821 2.295
204 HA LEU 26 HA LEU 26 16.233 2.895 3.864
205 HB2 LEU 26 HB2 LEU 26 14.161 0.707 4.236
206 HB3 LEU 26 HB3 LEU 26 15.368 1.090 5.462
207 HG LEU 26 HG LEU 26 13.724 3.321 4.322
208 HD11 LEU 26 HD11 LEU 26 12.331 1.202 5.130
209 HD12 LEU 26 HD12 LEU 26 11.827 2.837 5.558
210 HD13 LEU 26 HD13 LEU 26 12.709 1.854 6.725
211 HD21 LEU 26 HD21 LEU 26 14.845 2.712 7.078
212 HD22 LEU 26 HD22 LEU 26 14.050 4.211 6.599
213 HD23 LEU 26 HD23 LEU 26 15.597 3.766 5.881
214 H LEU 27 HN LEU 27 15.612 0.176 1.746
215 HA LEU 27 HA LEU 27 18.387 -0.838 2.241
216 HB2 LEU 27 HB2 LEU 27 16.293 -2.092 3.236
217 HB3 LEU 27 HB3 LEU 27 16.065 -2.636 1.572
218 HG LEU 27 HG LEU 27 18.838 -2.927 2.211
219 HD11 LEU 27 HD11 LEU 27 16.968 -4.195 4.237
220 HD12 LEU 27 HD12 LEU 27 18.120 -2.906 4.579
221 HD13 LEU 27 HD13 LEU 27 18.700 -4.501 4.099
222 HD21 LEU 27 HD21 LEU 27 16.531 -4.826 1.720
223 HD22 LEU 27 HD22 LEU 27 18.190 -5.389 1.924
224 HD23 LEU 27 HD23 LEU 27 17.781 -4.322 0.583
225 HA PRO 28 HA PRO 28 17.351 -0.457 -2.295
226 HB2 PRO 28 HB2 PRO 28 18.354 2.021 -2.898
227 HB3 PRO 28 HB3 PRO 28 16.684 1.743 -2.369
228 HG2 PRO 28 HG2 PRO 28 18.868 3.026 -0.945
229 HG3 PRO 28 HG3 PRO 28 17.143 3.018 -0.585
230 HD2 PRO 28 HD2 PRO 28 19.248 1.428 0.618
231 HD3 PRO 28 HD3 PRO 28 17.553 1.582 1.101
232 H ASN 29 HN ASN 29 20.242 0.250 -0.438
233 HA ASN 29 HA ASN 29 22.105 0.004 -2.688
234 HB2 ASN 29 HB2 ASN 29 22.191 0.351 0.282
235 HB3 ASN 29 HB3 ASN 29 23.640 -0.276 -0.503
236 HD21 ASN 29 HD21 ASN 29 24.907 1.193 -1.755
237 HD22 ASN 29 HD22 ASN 29 24.507 2.831 -1.950
238 H ARG 30 HN ARG 30 20.886 -2.117 -0.096
239 HA ARG 30 HA ARG 30 20.989 -4.454 0.172
240 HB2 ARG 30 HB2 ARG 30 20.620 -3.842 -2.533
241 HB3 ARG 30 HB3 ARG 30 21.920 -5.031 -2.539
242 HG2 ARG 30 HG2 ARG 30 19.612 -5.603 -0.749
243 HG3 ARG 30 HG3 ARG 30 19.311 -5.723 -2.481
244 HD2 ARG 30 HD2 ARG 30 20.152 -7.844 -2.246
245 HD3 ARG 30 HD3 ARG 30 21.729 -7.031 -2.245
246 HE ARG 30 HE ARG 30 20.514 -6.992 0.391
247 HH11 ARG 30 HH21 ARG 30 23.437 -7.365 -0.113
248 HH12 ARG 30 HH22 ARG 30 23.674 -9.031 0.305
249 HH21 ARG 30 HH11 ARG 30 20.288 -9.814 0.166
250 HH22 ARG 30 HH12 ARG 30 21.882 -10.423 0.463
Start of MODEL 40
1 HA HIS 1 HA HIS 1 -20.587 -2.486 -7.647
2 HB2 HIS 1 HB2 HIS 1 -21.429 -4.602 -6.850
3 HB3 HIS 1 HB3 HIS 1 -20.719 -4.889 -8.436
4 HD1 HIS 1 HD1 HIS 1 -20.048 -5.429 -4.754
5 HD2 HIS 1 HD2 HIS 1 -18.464 -6.588 -8.433
6 HE1 HIS 1 HE1 HIS 1 -18.347 -7.240 -4.265
7 H SER 2 HN SER 2 -17.436 -3.261 -6.527
8 HA SER 2 HA SER 2 -18.191 -2.530 -3.716
9 HB2 SER 2 HB2 SER 2 -16.094 -3.817 -3.164
10 HB3 SER 2 HB3 SER 2 -17.335 -4.796 -3.941
11 HG SER 2 HG SER 2 -14.834 -4.250 -4.760
12 H VAL 3 HN VAL 3 -17.362 -0.795 -6.156
13 HA VAL 3 HA VAL 3 -15.112 0.628 -4.777
14 HB VAL 3 HB VAL 3 -14.322 1.166 -7.116
15 HG11 VAL 3 HG11 VAL 3 -13.395 -0.715 -5.735
16 HG12 VAL 3 HG12 VAL 3 -13.274 -0.994 -7.472
17 HG13 VAL 3 HG13 VAL 3 -14.530 -1.803 -6.536
18 HG21 VAL 3 HG21 VAL 3 -16.181 -1.056 -7.992
19 HG22 VAL 3 HG22 VAL 3 -15.237 0.034 -9.006
20 HG23 VAL 3 HG23 VAL 3 -16.635 0.644 -8.120
21 H SER 4 HN SER 4 -17.491 1.503 -4.056
22 HA SER 4 HA SER 4 -17.968 3.963 -5.691
23 HB2 SER 4 HB2 SER 4 -20.418 3.571 -5.172
24 HB3 SER 4 HB3 SER 4 -19.700 2.378 -6.243
25 HG SER 4 HG SER 4 -20.353 0.988 -4.810
26 H HIS 5 HN HIS 5 -19.863 3.018 -2.937
27 HA HIS 5 HA HIS 5 -18.678 5.274 -1.353
28 HB2 HIS 5 HB2 HIS 5 -21.264 4.713 -2.152
29 HB3 HIS 5 HB3 HIS 5 -21.239 4.084 -0.505
30 HD1 HIS 5 HD1 HIS 5 -21.759 7.148 -2.310
31 HD2 HIS 5 HD2 HIS 5 -20.048 6.177 1.366
32 HE1 HIS 5 HE1 HIS 5 -21.697 9.290 -0.960
33 H ALA 6 HN ALA 6 -17.520 2.554 -1.460
34 HA ALA 6 HA ALA 6 -17.380 2.031 1.429
35 HB1 ALA 6 HB1 ALA 6 -19.432 0.844 0.678
36 HB2 ALA 6 HB2 ALA 6 -18.185 -0.297 1.185
37 HB3 ALA 6 HB3 ALA 6 -18.478 -0.019 -0.531
38 H ARG 7 HN ARG 7 -15.162 2.731 0.648
39 HA ARG 7 HA ARG 7 -13.662 0.484 -0.668
40 HB2 ARG 7 HB2 ARG 7 -13.237 3.489 -0.564
41 HB3 ARG 7 HB3 ARG 7 -12.070 2.369 -1.262
42 HG2 ARG 7 HG2 ARG 7 -13.207 2.489 -3.201
43 HG3 ARG 7 HG3 ARG 7 -14.553 1.676 -2.403
44 HD2 ARG 7 HD2 ARG 7 -15.755 3.572 -2.753
45 HD3 ARG 7 HD3 ARG 7 -14.725 4.348 -1.534
46 HE ARG 7 HE ARG 7 -13.666 4.197 -4.305
47 HH11 ARG 7 HH21 ARG 7 -16.060 6.119 -3.741
48 HH12 ARG 7 HH22 ARG 7 -15.200 7.606 -3.517
49 HH21 ARG 7 HH11 ARG 7 -12.106 6.063 -3.134
50 HH22 ARG 7 HH12 ARG 7 -12.951 7.574 -3.166
51 HA PRO 8 HA PRO 8 -12.151 0.881 3.715
52 HB2 PRO 8 HB2 PRO 8 -12.163 -1.800 4.272
53 HB3 PRO 8 HB3 PRO 8 -13.581 -0.757 4.502
54 HG2 PRO 8 HG2 PRO 8 -12.964 -2.653 2.296
55 HG3 PRO 8 HG3 PRO 8 -14.512 -2.286 3.072
56 HD2 PRO 8 HD2 PRO 8 -13.752 -1.293 0.639
57 HD3 PRO 8 HD3 PRO 8 -14.910 -0.491 1.723
58 H ARG 9 HN ARG 9 -11.298 -1.587 1.263
59 HA ARG 9 HA ARG 9 -8.420 -1.285 2.059
60 HB2 ARG 9 HB2 ARG 9 -10.186 -3.551 1.298
61 HB3 ARG 9 HB3 ARG 9 -8.536 -3.617 0.679
62 HG2 ARG 9 HG2 ARG 9 -8.167 -4.601 2.725
63 HG3 ARG 9 HG3 ARG 9 -7.984 -2.917 3.211
64 HD2 ARG 9 HD2 ARG 9 -10.550 -2.977 3.650
65 HD3 ARG 9 HD3 ARG 9 -10.355 -4.742 3.625
66 HE ARG 9 HE ARG 9 -8.633 -4.461 5.429
67 HH11 ARG 9 HH11 ARG 9 -8.494 -1.409 4.990
68 HH12 ARG 9 HH12 ARG 9 -9.325 -0.846 6.401
69 HH21 ARG 9 HH21 ARG 9 -10.707 -3.950 7.145
70 HH22 ARG 9 HH22 ARG 9 -10.582 -2.292 7.627
71 H TRP 10 HN TRP 10 -10.716 -0.955 -0.558
72 HA TRP 10 HA TRP 10 -9.112 -1.262 -2.857
73 HB2 TRP 10 HB2 TRP 10 -11.642 -0.698 -2.469
74 HB3 TRP 10 HB3 TRP 10 -11.104 0.979 -2.533
75 HD1 TRP 10 HD1 TRP 10 -11.652 1.845 -4.857
76 HE1 TRP 10 HE1 TRP 10 -11.297 1.006 -7.269
77 HE3 TRP 10 HE3 TRP 10 -9.733 -2.794 -3.909
78 HZ2 TRP 10 HZ2 TRP 10 -10.329 -1.321 -8.617
79 HZ3 TRP 10 HZ3 TRP 10 -9.103 -4.297 -5.774
80 HH2 TRP 10 HH2 TRP 10 -9.399 -3.569 -8.125
81 H PHE 11 HN PHE 11 -9.718 1.819 -1.093
82 HA PHE 11 HA PHE 11 -7.655 3.272 -2.529
83 HB2 PHE 11 HB2 PHE 11 -9.775 4.090 -1.267
84 HB3 PHE 11 HB3 PHE 11 -8.791 3.954 0.191
85 HD1 PHE 11 HD2 PHE 11 -9.238 5.735 -3.006
86 HD2 PHE 11 HD1 PHE 11 -6.878 5.423 0.570
87 HE1 PHE 11 HE2 PHE 11 -8.186 7.924 -3.509
88 HE2 PHE 11 HE1 PHE 11 -5.826 7.611 0.067
89 HZ PHE 11 HZ PHE 11 -6.480 8.862 -1.973
90 H TRP 12 HN TRP 12 -7.805 1.514 0.550
91 HA TRP 12 HA TRP 12 -5.308 2.324 1.661
92 HB2 TRP 12 HB2 TRP 12 -6.931 1.216 3.012
93 HB3 TRP 12 HB3 TRP 12 -7.077 -0.115 1.868
94 HD1 TRP 12 HD1 TRP 12 -5.437 -2.099 2.085
95 HE1 TRP 12 HE1 TRP 12 -3.558 -2.698 3.743
96 HE3 TRP 12 HE3 TRP 12 -4.994 2.347 4.555
97 HZ2 TRP 12 HZ2 TRP 12 -2.063 -1.454 5.843
98 HZ3 TRP 12 HZ3 TRP 12 -3.337 2.612 6.379
99 HH2 TRP 12 HH2 TRP 12 -1.873 0.719 7.024
100 H PHE 13 HN PHE 13 -6.051 0.120 -0.929
101 HA PHE 13 HA PHE 13 -3.730 -1.523 -0.935
102 HB2 PHE 13 HB2 PHE 13 -5.884 -1.686 -2.300
103 HB3 PHE 13 HB3 PHE 13 -5.194 -0.452 -3.354
104 HD1 PHE 13 HD1 PHE 13 -4.639 -3.865 -1.974
105 HD2 PHE 13 HD2 PHE 13 -3.531 -0.989 -4.967
106 HE1 PHE 13 HE1 PHE 13 -3.332 -5.606 -3.166
107 HE2 PHE 13 HE2 PHE 13 -2.225 -2.730 -6.158
108 HZ PHE 13 HZ PHE 13 -2.126 -5.039 -5.257
109 H SER 14 HN SER 14 -4.297 1.702 -2.255
110 HA SER 14 HA SER 14 -1.781 1.965 -3.632
111 HB2 SER 14 HB2 SER 14 -2.416 4.303 -3.778
112 HB3 SER 14 HB3 SER 14 -3.878 3.338 -3.953
113 HG SER 14 HG SER 14 -4.482 3.876 -1.924
114 H LEU 15 HN LEU 15 -2.824 2.545 -0.329
115 HA LEU 15 HA LEU 15 -0.463 3.937 0.597
116 HB2 LEU 15 HB2 LEU 15 -2.780 3.772 1.664
117 HB3 LEU 15 HB3 LEU 15 -2.345 2.136 2.159
118 HG LEU 15 HG LEU 15 -0.424 4.335 2.801
119 HD11 LEU 15 HD11 LEU 15 -2.661 5.241 3.421
120 HD12 LEU 15 HD12 LEU 15 -1.655 4.918 4.832
121 HD13 LEU 15 HD13 LEU 15 -2.948 3.801 4.397
122 HD21 LEU 15 HD21 LEU 15 -1.213 1.637 3.802
123 HD22 LEU 15 HD22 LEU 15 -0.616 2.788 4.996
124 HD23 LEU 15 HD23 LEU 15 0.393 2.343 3.621
125 H LEU 16 HN LEU 16 -1.451 0.504 0.522
126 HA LEU 16 HA LEU 16 0.804 -0.599 1.885
127 HB2 LEU 16 HB2 LEU 16 -1.453 -1.637 1.188
128 HB3 LEU 16 HB3 LEU 16 -0.718 -1.874 -0.396
129 HG LEU 16 HG LEU 16 1.017 -2.781 1.779
130 HD11 LEU 16 HD11 LEU 16 -1.282 -3.230 2.743
131 HD12 LEU 16 HD12 LEU 16 -0.298 -4.672 2.495
132 HD13 LEU 16 HD13 LEU 16 -1.585 -4.278 1.356
133 HD21 LEU 16 HD21 LEU 16 -0.210 -4.383 -0.475
134 HD22 LEU 16 HD22 LEU 16 1.351 -4.623 0.309
135 HD23 LEU 16 HD23 LEU 16 1.103 -3.239 -0.756
136 H LEU 17 HN LEU 17 0.240 0.120 -1.527
137 HA LEU 17 HA LEU 17 2.682 -0.940 -2.584
138 HB2 LEU 17 HB2 LEU 17 0.484 -0.056 -3.701
139 HB3 LEU 17 HB3 LEU 17 1.278 1.517 -3.627
140 HG LEU 17 HG LEU 17 2.955 -0.678 -4.687
141 HD11 LEU 17 HD11 LEU 17 0.676 -1.171 -5.637
142 HD12 LEU 17 HD12 LEU 17 1.882 -0.752 -6.854
143 HD13 LEU 17 HD13 LEU 17 0.684 0.442 -6.352
144 HD21 LEU 17 HD21 LEU 17 2.329 1.972 -5.980
145 HD22 LEU 17 HD22 LEU 17 3.832 1.048 -6.021
146 HD23 LEU 17 HD23 LEU 17 3.362 1.903 -4.551
147 H LEU 18 HN LEU 18 1.814 2.164 -1.189
148 HA LEU 18 HA LEU 18 4.302 3.530 -1.697
149 HB2 LEU 18 HB2 LEU 18 1.789 4.185 -0.839
150 HB3 LEU 18 HB3 LEU 18 2.678 4.244 0.680
151 HG LEU 18 HG LEU 18 2.688 6.449 -0.397
152 HD11 LEU 18 HD11 LEU 18 5.007 6.892 -0.200
153 HD12 LEU 18 HD12 LEU 18 5.448 5.280 -0.766
154 HD13 LEU 18 HD13 LEU 18 4.738 5.491 0.835
155 HD21 LEU 18 HD21 LEU 18 4.257 5.220 -2.670
156 HD22 LEU 18 HD22 LEU 18 3.536 6.827 -2.585
157 HD23 LEU 18 HD23 LEU 18 2.505 5.404 -2.745
158 H ALA 19 HN ALA 19 3.069 1.549 0.948
159 HA ALA 19 HA ALA 19 5.197 2.007 2.831
160 HB1 ALA 19 HB1 ALA 19 3.621 -0.553 2.512
161 HB2 ALA 19 HB2 ALA 19 2.851 0.927 3.087
162 HB3 ALA 19 HB3 ALA 19 4.178 0.209 4.002
163 H ALA 20 HN ALA 20 4.750 -0.379 0.217
164 HA ALA 20 HA ALA 20 7.074 -1.982 0.763
165 HB1 ALA 20 HB1 ALA 20 5.351 -1.384 -1.647
166 HB2 ALA 20 HB2 ALA 20 5.405 -2.857 -0.678
167 HB3 ALA 20 HB3 ALA 20 6.734 -2.471 -1.771
168 H GLY 21 HN GLY 21 6.563 0.867 -1.343
169 HA2 GLY 21 HA2 GLY 21 9.184 0.979 -2.465
170 HA3 GLY 21 HA3 GLY 21 8.102 2.363 -2.295
171 H VAL 22 HN VAL 22 7.844 2.330 0.548
172 HA VAL 22 HA VAL 22 10.166 3.821 1.354
173 HB VAL 22 HB VAL 22 7.948 2.452 2.922
174 HG11 VAL 22 HG11 VAL 22 8.616 4.423 4.549
175 HG12 VAL 22 HG12 VAL 22 10.175 4.296 3.734
176 HG13 VAL 22 HG13 VAL 22 9.511 2.905 4.590
177 HG21 VAL 22 HG21 VAL 22 6.644 4.241 2.415
178 HG22 VAL 22 HG22 VAL 22 7.800 4.552 1.121
179 HG23 VAL 22 HG23 VAL 22 7.965 5.380 2.670
180 H GLY 23 HN GLY 23 9.198 0.420 1.842
181 HA2 GLY 23 HA2 GLY 23 11.249 -0.331 3.671
182 HA3 GLY 23 HA3 GLY 23 10.435 -1.438 2.565
183 H ILE 24 HN ILE 24 11.181 -0.407 0.095
184 HA ILE 24 HA ILE 24 13.868 -1.429 -0.216
185 HB ILE 24 HB ILE 24 11.825 0.002 -1.923
186 HG12 ILE 24 HG12 ILE 24 12.770 -2.373 -3.106
187 HG13 ILE 24 HG13 ILE 24 12.672 -2.723 -1.380
188 HG21 ILE 24 HG21 ILE 24 13.452 -0.461 -3.860
189 HG22 ILE 24 HG22 ILE 24 14.706 -0.588 -2.627
190 HG23 ILE 24 HG23 ILE 24 13.822 0.924 -2.833
191 HD11 ILE 24 HD11 ILE 24 10.546 -2.971 -2.987
192 HD12 ILE 24 HD12 ILE 24 10.384 -1.256 -2.609
193 HD13 ILE 24 HD13 ILE 24 10.387 -2.449 -1.310
194 H TYR 25 HN TYR 25 12.519 1.864 0.104
195 HA TYR 25 HA TYR 25 14.904 3.306 -0.599
196 HB2 TYR 25 HB2 TYR 25 12.443 4.077 -0.216
197 HB3 TYR 25 HB3 TYR 25 12.906 4.189 1.484
198 HD1 TYR 25 HD1 TYR 25 14.638 5.777 2.224
199 HD2 TYR 25 HD2 TYR 25 13.383 5.583 -1.880
200 HE1 TYR 25 HE1 TYR 25 15.728 7.961 1.787
201 HE2 TYR 25 HE2 TYR 25 14.473 7.767 -2.317
202 HH TYR 25 HH TYR 25 16.700 9.052 -0.749
203 H LEU 26 HN LEU 26 13.932 1.583 2.303
204 HA LEU 26 HA LEU 26 15.992 2.769 4.026
205 HB2 LEU 26 HB2 LEU 26 14.089 0.411 4.207
206 HB3 LEU 26 HB3 LEU 26 15.207 0.832 5.506
207 HG LEU 26 HG LEU 26 13.451 2.985 4.382
208 HD11 LEU 26 HD11 LEU 26 11.997 0.970 4.814
209 HD12 LEU 26 HD12 LEU 26 11.613 2.364 5.823
210 HD13 LEU 26 HD13 LEU 26 12.532 1.015 6.495
211 HD21 LEU 26 HD21 LEU 26 15.267 3.347 6.115
212 HD22 LEU 26 HD22 LEU 26 14.315 2.354 7.219
213 HD23 LEU 26 HD23 LEU 26 13.660 3.875 6.613
214 H LEU 27 HN LEU 27 15.778 0.207 1.681
215 HA LEU 27 HA LEU 27 18.573 -0.635 2.329
216 HB2 LEU 27 HB2 LEU 27 16.588 -2.113 3.183
217 HB3 LEU 27 HB3 LEU 27 16.415 -2.572 1.489
218 HG LEU 27 HG LEU 27 18.920 -3.119 1.534
219 HD11 LEU 27 HD11 LEU 27 18.365 -2.803 4.497
220 HD12 LEU 27 HD12 LEU 27 19.587 -1.965 3.542
221 HD13 LEU 27 HD13 LEU 27 19.748 -3.692 3.861
222 HD21 LEU 27 HD21 LEU 27 17.147 -4.744 3.384
223 HD22 LEU 27 HD22 LEU 27 18.523 -5.334 2.451
224 HD23 LEU 27 HD23 LEU 27 17.057 -4.806 1.624
225 HA PRO 28 HA PRO 28 17.716 -0.182 -2.247
226 HB2 PRO 28 HB2 PRO 28 18.446 2.416 -2.726
227 HB3 PRO 28 HB3 PRO 28 16.797 1.927 -2.299
228 HG2 PRO 28 HG2 PRO 28 18.742 3.402 -0.717
229 HG3 PRO 28 HG3 PRO 28 17.009 3.199 -0.465
230 HD2 PRO 28 HD2 PRO 28 19.191 1.820 0.841
231 HD3 PRO 28 HD3 PRO 28 17.461 1.753 1.198
232 H ASN 29 HN ASN 29 20.395 1.079 -0.300
233 HA ASN 29 HA ASN 29 22.354 0.771 -2.484
234 HB2 ASN 29 HB2 ASN 29 23.887 1.681 -0.819
235 HB3 ASN 29 HB3 ASN 29 22.385 2.603 -0.764
236 HD21 ASN 29 HD21 ASN 29 24.492 0.513 1.078
237 HD22 ASN 29 HD22 ASN 29 23.559 0.487 2.495
238 H ARG 30 HN ARG 30 21.000 -1.218 0.001
239 HA ARG 30 HA ARG 30 21.510 -3.383 0.756
240 HB2 ARG 30 HB2 ARG 30 23.066 -3.279 -1.855
241 HB3 ARG 30 HB3 ARG 30 22.750 -4.758 -0.949
242 HG2 ARG 30 HG2 ARG 30 20.240 -3.914 -1.075
243 HG3 ARG 30 HG3 ARG 30 20.839 -3.025 -2.476
244 HD2 ARG 30 HD2 ARG 30 21.855 -5.274 -3.251
245 HD3 ARG 30 HD3 ARG 30 20.786 -6.019 -2.045
246 HE ARG 30 HE ARG 30 18.939 -4.600 -3.241
247 HH11 ARG 30 HH21 ARG 30 19.430 -7.241 -4.521
248 HH12 ARG 30 HH22 ARG 30 19.729 -6.813 -6.172
249 HH21 ARG 30 HH11 ARG 30 20.327 -3.461 -5.467
250 HH22 ARG 30 HH12 ARG 30 20.239 -4.664 -6.710
Start of MODEL 41
1 HA HIS 1 HA HIS 1 -10.521 10.462 2.769
2 HB2 HIS 1 HB2 HIS 1 -8.821 9.556 5.062
3 HB3 HIS 1 HB3 HIS 1 -10.273 8.623 4.701
4 HD1 HIS 1 HD1 HIS 1 -6.962 8.202 4.057
5 HD2 HIS 1 HD2 HIS 1 -10.181 8.593 1.436
6 HE1 HIS 1 HE1 HIS 1 -6.232 7.170 1.863
7 H SER 2 HN SER 2 -12.665 9.848 3.461
8 HA SER 2 HA SER 2 -13.606 10.945 6.079
9 HB2 SER 2 HB2 SER 2 -15.463 12.062 4.862
10 HB3 SER 2 HB3 SER 2 -13.895 12.667 4.339
11 HG SER 2 HG SER 2 -15.728 10.999 3.019
12 H VAL 3 HN VAL 3 -13.203 8.166 5.142
13 HA VAL 3 HA VAL 3 -14.353 6.106 5.017
14 HB VAL 3 HB VAL 3 -16.423 7.679 6.590
15 HG11 VAL 3 HG11 VAL 3 -17.280 5.523 6.303
16 HG12 VAL 3 HG12 VAL 3 -16.387 5.352 7.814
17 HG13 VAL 3 HG13 VAL 3 -15.682 4.780 6.302
18 HG21 VAL 3 HG21 VAL 3 -14.295 8.189 7.598
19 HG22 VAL 3 HG22 VAL 3 -13.755 6.518 7.444
20 HG23 VAL 3 HG23 VAL 3 -15.033 6.930 8.588
21 H SER 4 HN SER 4 -14.744 7.726 2.709
22 HA SER 4 HA SER 4 -17.534 8.013 2.007
23 HB2 SER 4 HB2 SER 4 -15.686 9.278 0.973
24 HB3 SER 4 HB3 SER 4 -15.018 7.782 0.328
25 HG SER 4 HG SER 4 -16.547 9.217 -0.993
26 H HIS 5 HN HIS 5 -15.178 5.434 1.643
27 HA HIS 5 HA HIS 5 -17.220 3.747 0.238
28 HB2 HIS 5 HB2 HIS 5 -14.200 3.657 0.477
29 HB3 HIS 5 HB3 HIS 5 -15.141 2.371 -0.270
30 HD1 HIS 5 HD1 HIS 5 -13.212 3.790 -2.085
31 HD2 HIS 5 HD2 HIS 5 -17.107 5.159 -1.510
32 HE1 HIS 5 HE1 HIS 5 -13.772 5.222 -4.098
33 H ALA 6 HN ALA 6 -17.169 4.268 3.182
34 HA ALA 6 HA ALA 6 -17.383 3.070 5.198
35 HB1 ALA 6 HB1 ALA 6 -18.896 1.860 3.534
36 HB2 ALA 6 HB2 ALA 6 -18.369 0.899 4.915
37 HB3 ALA 6 HB3 ALA 6 -17.597 0.682 3.345
38 H ARG 7 HN ARG 7 -14.804 3.643 4.853
39 HA ARG 7 HA ARG 7 -12.536 2.896 4.956
40 HB2 ARG 7 HB2 ARG 7 -12.334 1.685 7.183
41 HB3 ARG 7 HB3 ARG 7 -13.252 3.187 7.224
42 HG2 ARG 7 HG2 ARG 7 -15.332 2.038 7.331
43 HG3 ARG 7 HG3 ARG 7 -14.601 0.507 6.848
44 HD2 ARG 7 HD2 ARG 7 -13.253 1.454 9.208
45 HD3 ARG 7 HD3 ARG 7 -15.003 1.454 9.499
46 HE ARG 7 HE ARG 7 -15.058 -0.916 8.889
47 HH11 ARG 7 HH21 ARG 7 -12.656 -0.908 7.065
48 HH12 ARG 7 HH22 ARG 7 -11.486 -1.764 8.016
49 HH21 ARG 7 HH11 ARG 7 -13.250 -1.398 10.992
50 HH22 ARG 7 HH12 ARG 7 -11.825 -2.046 10.250
51 HA PRO 8 HA PRO 8 -13.122 -1.331 3.149
52 HB2 PRO 8 HB2 PRO 8 -12.287 -0.769 0.612
53 HB3 PRO 8 HB3 PRO 8 -13.970 -0.575 1.137
54 HG2 PRO 8 HG2 PRO 8 -11.900 1.469 0.648
55 HG3 PRO 8 HG3 PRO 8 -13.657 1.580 0.508
56 HD2 PRO 8 HD2 PRO 8 -12.089 2.550 2.619
57 HD3 PRO 8 HD3 PRO 8 -13.856 2.382 2.607
58 H ARG 9 HN ARG 9 -11.344 -2.675 2.075
59 HA ARG 9 HA ARG 9 -8.648 -1.719 2.976
60 HB2 ARG 9 HB2 ARG 9 -8.149 -4.085 3.304
61 HB3 ARG 9 HB3 ARG 9 -9.678 -3.713 4.097
62 HG2 ARG 9 HG2 ARG 9 -10.666 -4.430 1.722
63 HG3 ARG 9 HG3 ARG 9 -9.157 -5.339 1.642
64 HD2 ARG 9 HD2 ARG 9 -9.703 -6.329 3.894
65 HD3 ARG 9 HD3 ARG 9 -11.289 -5.537 3.798
66 HE ARG 9 HE ARG 9 -10.314 -7.560 1.813
67 HH11 ARG 9 HH11 ARG 9 -12.505 -5.799 0.829
68 HH12 ARG 9 HH12 ARG 9 -13.926 -6.684 1.269
69 HH21 ARG 9 HH21 ARG 9 -12.263 -8.732 3.533
70 HH22 ARG 9 HH22 ARG 9 -13.788 -8.353 2.807
71 H TRP 10 HN TRP 10 -10.459 -3.083 0.259
72 HA TRP 10 HA TRP 10 -8.271 -3.756 -1.461
73 HB2 TRP 10 HB2 TRP 10 -10.661 -4.419 -1.724
74 HB3 TRP 10 HB3 TRP 10 -11.064 -2.748 -2.112
75 HD1 TRP 10 HD1 TRP 10 -11.038 -2.170 -4.580
76 HE1 TRP 10 HE1 TRP 10 -9.986 -3.180 -6.705
77 HE3 TRP 10 HE3 TRP 10 -8.323 -5.966 -2.504
78 HZ2 TRP 10 HZ2 TRP 10 -8.227 -5.316 -7.430
79 HZ3 TRP 10 HZ3 TRP 10 -6.970 -7.472 -3.934
80 HH2 TRP 10 HH2 TRP 10 -6.918 -7.152 -6.393
81 H PHE 11 HN PHE 11 -9.907 -0.681 -0.787
82 HA PHE 11 HA PHE 11 -8.685 0.797 -2.975
83 HB2 PHE 11 HB2 PHE 11 -10.290 1.355 -0.505
84 HB3 PHE 11 HB3 PHE 11 -9.474 2.706 -1.291
85 HD1 PHE 11 HD2 PHE 11 -10.084 3.415 -3.553
86 HD2 PHE 11 HD1 PHE 11 -12.079 0.126 -1.639
87 HE1 PHE 11 HE2 PHE 11 -11.867 3.495 -5.271
88 HE2 PHE 11 HE1 PHE 11 -13.862 0.207 -3.359
89 HZ PHE 11 HZ PHE 11 -13.757 1.893 -5.176
90 H TRP 12 HN TRP 12 -7.679 -0.081 0.275
91 HA TRP 12 HA TRP 12 -5.638 1.994 0.549
92 HB2 TRP 12 HB2 TRP 12 -6.255 -0.611 1.964
93 HB3 TRP 12 HB3 TRP 12 -4.970 0.476 2.475
94 HD1 TRP 12 HD1 TRP 12 -6.970 0.114 4.611
95 HE1 TRP 12 HE1 TRP 12 -8.684 1.903 5.309
96 HE3 TRP 12 HE3 TRP 12 -7.089 2.967 0.357
97 HZ2 TRP 12 HZ2 TRP 12 -9.938 4.221 4.225
98 HZ3 TRP 12 HZ3 TRP 12 -8.555 4.954 0.230
99 HH2 TRP 12 HH2 TRP 12 -9.979 5.587 2.155
100 H PHE 13 HN PHE 13 -5.699 -0.398 -1.675
101 HA PHE 13 HA PHE 13 -3.235 -1.804 -1.343
102 HB2 PHE 13 HB2 PHE 13 -3.634 -2.525 -3.563
103 HB3 PHE 13 HB3 PHE 13 -5.246 -2.162 -2.955
104 HD1 PHE 13 HD2 PHE 13 -6.399 -0.058 -3.624
105 HD2 PHE 13 HD1 PHE 13 -2.602 -1.187 -5.282
106 HE1 PHE 13 HE2 PHE 13 -6.705 1.596 -5.444
107 HE2 PHE 13 HE1 PHE 13 -2.907 0.468 -7.103
108 HZ PHE 13 HZ PHE 13 -4.959 1.859 -7.183
109 H SER 14 HN SER 14 -3.984 1.371 -2.632
110 HA SER 14 HA SER 14 -1.410 1.923 -3.823
111 HB2 SER 14 HB2 SER 14 -3.880 3.090 -3.792
112 HB3 SER 14 HB3 SER 14 -3.012 4.139 -2.675
113 HG SER 14 HG SER 14 -2.595 3.652 -5.400
114 H LEU 15 HN LEU 15 -2.844 2.426 -0.656
115 HA LEU 15 HA LEU 15 -0.717 3.909 0.581
116 HB2 LEU 15 HB2 LEU 15 -3.060 3.632 1.420
117 HB3 LEU 15 HB3 LEU 15 -2.723 1.933 1.742
118 HG LEU 15 HG LEU 15 -0.690 3.645 2.926
119 HD11 LEU 15 HD11 LEU 15 -3.586 4.102 3.697
120 HD12 LEU 15 HD12 LEU 15 -2.436 5.310 3.123
121 HD13 LEU 15 HD13 LEU 15 -2.216 4.565 4.706
122 HD21 LEU 15 HD21 LEU 15 -1.221 2.301 4.896
123 HD22 LEU 15 HD22 LEU 15 -1.181 1.254 3.478
124 HD23 LEU 15 HD23 LEU 15 -2.728 1.760 4.157
125 H LEU 16 HN LEU 16 -1.387 0.429 0.235
126 HA LEU 16 HA LEU 16 0.780 -0.559 1.833
127 HB2 LEU 16 HB2 LEU 16 -1.228 -1.831 1.069
128 HB3 LEU 16 HB3 LEU 16 -0.627 -1.739 -0.585
129 HG LEU 16 HG LEU 16 1.395 -2.771 1.254
130 HD11 LEU 16 HD11 LEU 16 -1.234 -4.257 0.959
131 HD12 LEU 16 HD12 LEU 16 -0.510 -3.688 2.463
132 HD13 LEU 16 HD13 LEU 16 0.258 -4.986 1.551
133 HD21 LEU 16 HD21 LEU 16 1.383 -2.867 -1.267
134 HD22 LEU 16 HD22 LEU 16 0.047 -4.015 -1.165
135 HD23 LEU 16 HD23 LEU 16 1.624 -4.437 -0.498
136 H LEU 17 HN LEU 17 0.510 0.280 -1.581
137 HA LEU 17 HA LEU 17 3.093 -0.616 -2.433
138 HB2 LEU 17 HB2 LEU 17 0.961 0.204 -3.721
139 HB3 LEU 17 HB3 LEU 17 1.679 1.804 -3.536
140 HG LEU 17 HG LEU 17 3.834 0.723 -4.487
141 HD11 LEU 17 HD11 LEU 17 3.233 -1.177 -6.081
142 HD12 LEU 17 HD12 LEU 17 1.724 -1.332 -5.181
143 HD13 LEU 17 HD13 LEU 17 3.266 -1.598 -4.369
144 HD21 LEU 17 HD21 LEU 17 1.417 0.972 -6.307
145 HD22 LEU 17 HD22 LEU 17 3.107 1.186 -6.764
146 HD23 LEU 17 HD23 LEU 17 2.333 2.343 -5.681
147 H LEU 18 HN LEU 18 1.950 2.357 -0.955
148 HA LEU 18 HA LEU 18 4.380 3.885 -1.241
149 HB2 LEU 18 HB2 LEU 18 1.898 4.537 -0.671
150 HB3 LEU 18 HB3 LEU 18 2.390 4.219 0.992
151 HG LEU 18 HG LEU 18 4.151 5.952 -0.703
152 HD11 LEU 18 HD11 LEU 18 1.797 6.770 -1.030
153 HD12 LEU 18 HD12 LEU 18 2.835 7.927 -0.197
154 HD13 LEU 18 HD13 LEU 18 1.671 6.968 0.718
155 HD21 LEU 18 HD21 LEU 18 3.978 7.086 1.757
156 HD22 LEU 18 HD22 LEU 18 5.118 5.796 1.372
157 HD23 LEU 18 HD23 LEU 18 3.591 5.416 2.168
158 H ALA 19 HN ALA 19 3.107 1.716 1.240
159 HA ALA 19 HA ALA 19 5.160 2.173 3.222
160 HB1 ALA 19 HB1 ALA 19 4.298 -0.197 3.916
161 HB2 ALA 19 HB2 ALA 19 3.146 0.014 2.596
162 HB3 ALA 19 HB3 ALA 19 3.158 1.149 3.946
163 H ALA 20 HN ALA 20 4.833 -0.111 0.507
164 HA ALA 20 HA ALA 20 7.168 -1.699 1.066
165 HB1 ALA 20 HB1 ALA 20 5.560 -2.568 -0.437
166 HB2 ALA 20 HB2 ALA 20 6.892 -2.102 -1.497
167 HB3 ALA 20 HB3 ALA 20 5.474 -1.062 -1.352
168 H GLY 21 HN GLY 21 6.662 1.271 -0.851
169 HA2 GLY 21 HA2 GLY 21 9.301 1.425 -1.961
170 HA3 GLY 21 HA3 GLY 21 8.196 2.788 -1.773
171 H VAL 22 HN VAL 22 7.896 2.669 1.071
172 HA VAL 22 HA VAL 22 10.152 4.201 1.954
173 HB VAL 22 HB VAL 22 8.007 2.664 3.470
174 HG11 VAL 22 HG11 VAL 22 9.896 4.864 4.366
175 HG12 VAL 22 HG12 VAL 22 9.833 3.212 4.981
176 HG13 VAL 22 HG13 VAL 22 8.497 4.319 5.291
177 HG21 VAL 22 HG21 VAL 22 7.866 5.599 3.288
178 HG22 VAL 22 HG22 VAL 22 6.602 4.397 3.034
179 HG23 VAL 22 HG23 VAL 22 7.719 4.790 1.728
180 H GLY 23 HN GLY 23 9.269 0.770 2.477
181 HA2 GLY 23 HA2 GLY 23 11.524 0.123 4.139
182 HA3 GLY 23 HA3 GLY 23 10.549 -1.044 3.245
183 H ILE 24 HN ILE 24 10.968 -0.162 0.615
184 HA ILE 24 HA ILE 24 13.530 -1.328 -0.008
185 HB ILE 24 HB ILE 24 11.447 0.266 -1.535
186 HG12 ILE 24 HG12 ILE 24 12.323 -2.625 -1.800
187 HG13 ILE 24 HG13 ILE 24 11.011 -2.109 -0.741
188 HG21 ILE 24 HG21 ILE 24 13.464 0.757 -2.721
189 HG22 ILE 24 HG22 ILE 24 12.710 -0.575 -3.598
190 HG23 ILE 24 HG23 ILE 24 14.069 -0.887 -2.516
191 HD11 ILE 24 HD11 ILE 24 9.972 -2.763 -2.793
192 HD12 ILE 24 HD12 ILE 24 11.158 -1.881 -3.755
193 HD13 ILE 24 HD13 ILE 24 9.970 -1.000 -2.794
194 H TYR 25 HN TYR 25 12.428 2.057 0.346
195 HA TYR 25 HA TYR 25 14.800 3.304 -0.705
196 HB2 TYR 25 HB2 TYR 25 12.471 4.279 -0.103
197 HB3 TYR 25 HB3 TYR 25 13.100 4.396 1.542
198 HD1 TYR 25 HD1 TYR 25 13.425 5.622 -1.918
199 HD2 TYR 25 HD2 TYR 25 14.941 5.911 2.091
200 HE1 TYR 25 HE1 TYR 25 14.627 7.705 -2.523
201 HE2 TYR 25 HE2 TYR 25 16.141 7.994 1.486
202 HH TYR 25 HH TYR 25 17.020 8.903 -1.163
203 H LEU 26 HN LEU 26 14.044 1.801 2.381
204 HA LEU 26 HA LEU 26 16.359 2.890 3.807
205 HB2 LEU 26 HB2 LEU 26 14.044 1.132 4.263
206 HB3 LEU 26 HB3 LEU 26 15.495 0.573 5.091
207 HG LEU 26 HG LEU 26 14.224 2.094 6.540
208 HD11 LEU 26 HD11 LEU 26 16.569 3.735 5.637
209 HD12 LEU 26 HD12 LEU 26 16.849 2.116 6.282
210 HD13 LEU 26 HD13 LEU 26 16.050 3.335 7.275
211 HD21 LEU 26 HD21 LEU 26 14.016 4.499 5.868
212 HD22 LEU 26 HD22 LEU 26 13.075 3.415 4.843
213 HD23 LEU 26 HD23 LEU 26 14.608 4.066 4.264
214 H LEU 27 HN LEU 27 15.649 0.174 1.709
215 HA LEU 27 HA LEU 27 18.482 -0.765 1.974
216 HB2 LEU 27 HB2 LEU 27 16.518 -2.074 3.146
217 HB3 LEU 27 HB3 LEU 27 16.164 -2.629 1.510
218 HG LEU 27 HG LEU 27 18.775 -3.117 1.468
219 HD11 LEU 27 HD11 LEU 27 19.052 -2.098 3.765
220 HD12 LEU 27 HD12 LEU 27 19.671 -3.743 3.619
221 HD13 LEU 27 HD13 LEU 27 18.121 -3.451 4.408
222 HD21 LEU 27 HD21 LEU 27 18.290 -5.413 2.136
223 HD22 LEU 27 HD22 LEU 27 16.911 -4.771 1.241
224 HD23 LEU 27 HD23 LEU 27 16.844 -4.887 3.000
225 HA PRO 28 HA PRO 28 17.070 -0.447 -2.462
226 HB2 PRO 28 HB2 PRO 28 17.958 2.050 -3.160
227 HB3 PRO 28 HB3 PRO 28 16.348 1.737 -2.487
228 HG2 PRO 28 HG2 PRO 28 18.617 3.077 -1.263
229 HG3 PRO 28 HG3 PRO 28 16.928 3.036 -0.756
230 HD2 PRO 28 HD2 PRO 28 19.164 1.498 0.268
231 HD3 PRO 28 HD3 PRO 28 17.515 1.623 0.898
232 H ASN 29 HN ASN 29 20.078 0.318 -0.845
233 HA ASN 29 HA ASN 29 21.698 -0.067 -3.303
234 HB2 ASN 29 HB2 ASN 29 22.422 0.500 -0.408
235 HB3 ASN 29 HB3 ASN 29 23.544 0.548 -1.767
236 HD21 ASN 29 HD21 ASN 29 22.381 2.745 0.122
237 HD22 ASN 29 HD22 ASN 29 21.859 3.946 -0.958
238 H ARG 30 HN ARG 30 20.679 -1.849 -0.451
239 HA ARG 30 HA ARG 30 22.168 -4.233 -1.451
240 HB2 ARG 30 HB2 ARG 30 22.989 -4.634 0.860
241 HB3 ARG 30 HB3 ARG 30 23.568 -3.092 0.231
242 HG2 ARG 30 HG2 ARG 30 22.110 -1.845 1.579
243 HG3 ARG 30 HG3 ARG 30 21.011 -3.203 1.816
244 HD2 ARG 30 HD2 ARG 30 22.147 -3.081 3.888
245 HD3 ARG 30 HD3 ARG 30 23.069 -4.321 3.015
246 HE ARG 30 HE ARG 30 24.053 -1.636 2.468
247 HH11 ARG 30 HH11 ARG 30 24.201 -1.620 5.396
248 HH12 ARG 30 HH12 ARG 30 25.706 -2.408 5.727
249 HH21 ARG 30 HH21 ARG 30 25.965 -3.817 2.560
250 HH22 ARG 30 HH22 ARG 30 26.709 -3.657 4.116
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